smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)N(C)Cc1nnc2n1CCCN(c1[nH+]ccc3[nH]cc(C#N)c31)C2 ZINC001165009138 721711616 /nfs/dbraw/zinc/71/16/16/721711616.db2.gz QBGOQXUPLRRRLV-UHFFFAOYSA-N 1 2 364.457 2.277 20 30 FEEDLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1[nH]ccc3ncc(C#N)c1-3)C2 ZINC001165009138 721711619 /nfs/dbraw/zinc/71/16/19/721711619.db2.gz QBGOQXUPLRRRLV-UHFFFAOYSA-N 1 2 364.457 2.277 20 30 FEEDLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1[nH]ccc3ncc(C#N)c1-3)C2 ZINC001165009138 721711628 /nfs/dbraw/zinc/71/16/28/721711628.db2.gz QBGOQXUPLRRRLV-UHFFFAOYSA-N 1 2 364.457 2.277 20 30 FEEDLO N#Cc1ccc(Cl)nc1C(F)(F)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001165039777 721911116 /nfs/dbraw/zinc/91/11/16/721911116.db2.gz UGMPOKLMIHUNQJ-ZDUSSCGKSA-N 1 2 356.804 2.453 20 30 FEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1COc2cc(F)c(Br)cc21 ZINC000800659915 674068417 /nfs/dbraw/zinc/06/84/17/674068417.db2.gz GIXJTRXSYSVAQV-KGLIPLIRSA-N 1 2 367.218 2.236 20 30 FEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1COc2cc(F)c(Br)cc21 ZINC000800659915 674068418 /nfs/dbraw/zinc/06/84/18/674068418.db2.gz GIXJTRXSYSVAQV-KGLIPLIRSA-N 1 2 367.218 2.236 20 30 FEEDLO Cc1cc(N2CCN(CC(=O)N[C@@](C)(C#N)C(C)C)CC2)nc(C(C)C)[nH+]1 ZINC000027545085 539809245 /nfs/dbraw/zinc/80/92/45/539809245.db2.gz QVGOZKPIMBAKNA-FQEVSTJZSA-N 1 2 372.517 2.085 20 30 FEEDLO C[C@H](C(=O)N1CCCCCC1)[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000029249761 539847982 /nfs/dbraw/zinc/84/79/82/539847982.db2.gz ZGTXYUCVPACUEY-OAHLLOKOSA-N 1 2 371.485 2.337 20 30 FEEDLO C[C@@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN(c3cccc(F)c3C#N)CC2)C1 ZINC000030967927 539895124 /nfs/dbraw/zinc/89/51/24/539895124.db2.gz CZSIYAKUMQSPRF-IYBDPMFKSA-N 1 2 358.461 2.324 20 30 FEEDLO COc1ccccc1N1CC[NH+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000032830793 539955221 /nfs/dbraw/zinc/95/52/21/539955221.db2.gz ACDRNEYXXHISES-OXJNMPFZSA-N 1 2 358.486 2.260 20 30 FEEDLO COc1cccc(NC(=O)CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000041106077 540012306 /nfs/dbraw/zinc/01/23/06/540012306.db2.gz MRQAQSCVHXMMCL-UHFFFAOYSA-N 1 2 364.449 2.323 20 30 FEEDLO C=C(C)CSc1nnc([C@@H](CC)[NH+](C)C)n1CCN1CCOCC1 ZINC000044172265 540119330 /nfs/dbraw/zinc/11/93/30/540119330.db2.gz NVIKGKPRGHBXGC-OAHLLOKOSA-N 1 2 353.536 2.291 20 30 FEEDLO C=CC[N@@H+](C[C@@H](O)c1ccccc1Br)[C@@H]1CCS(=O)(=O)C1 ZINC000157254178 545719515 /nfs/dbraw/zinc/71/95/15/545719515.db2.gz XQQOPCRWFOVXPC-IUODEOHRSA-N 1 2 374.300 2.158 20 30 FEEDLO C=CC[N@H+](C[C@@H](O)c1ccccc1Br)[C@@H]1CCS(=O)(=O)C1 ZINC000157254178 545719518 /nfs/dbraw/zinc/71/95/18/545719518.db2.gz XQQOPCRWFOVXPC-IUODEOHRSA-N 1 2 374.300 2.158 20 30 FEEDLO CN(C)C(=O)c1ccc(NC(=O)C[N@H+](C)Cc2ccc(C#N)cc2)cc1 ZINC000046527014 540260853 /nfs/dbraw/zinc/26/08/53/540260853.db2.gz PIMCWKOBUAWRKK-UHFFFAOYSA-N 1 2 350.422 2.331 20 30 FEEDLO CN(C)C(=O)c1ccc(NC(=O)C[N@@H+](C)Cc2ccc(C#N)cc2)cc1 ZINC000046527014 540260858 /nfs/dbraw/zinc/26/08/58/540260858.db2.gz PIMCWKOBUAWRKK-UHFFFAOYSA-N 1 2 350.422 2.331 20 30 FEEDLO C[C@@H]1CN(c2ccc(CNC(=O)CCc3ccc(C#N)cc3)c[nH+]2)CCO1 ZINC000046719148 540268244 /nfs/dbraw/zinc/26/82/44/540268244.db2.gz YOHZNPVPNSNAFH-MRXNPFEDSA-N 1 2 364.449 2.427 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000054534189 540594389 /nfs/dbraw/zinc/59/43/89/540594389.db2.gz IQKYNJABZZDFLG-UHFFFAOYSA-N 1 2 352.419 2.282 20 30 FEEDLO CN(CC(=O)Nc1sccc1C#N)Cc1[nH+]ccn1CC(F)(F)F ZINC000057844415 540818727 /nfs/dbraw/zinc/81/87/27/540818727.db2.gz RXFCMFUKIIXRHK-UHFFFAOYSA-N 1 2 357.361 2.449 20 30 FEEDLO NC(=[NH+]OCC(=O)N1CCCCC1)c1ccc(OCc2cccnc2)cc1 ZINC000060197185 540869673 /nfs/dbraw/zinc/86/96/73/540869673.db2.gz WBYXKGFGRNXHQJ-UHFFFAOYSA-N 1 2 368.437 2.310 20 30 FEEDLO C=CC[N@H+](CC(=O)NC(=O)NC1CCCC1)Cc1cccc([N+](=O)[O-])c1 ZINC000063297839 541163426 /nfs/dbraw/zinc/16/34/26/541163426.db2.gz NVZPHNQNAZCFDF-UHFFFAOYSA-N 1 2 360.414 2.351 20 30 FEEDLO C=CC[N@@H+](CC(=O)NC(=O)NC1CCCC1)Cc1cccc([N+](=O)[O-])c1 ZINC000063297839 541163430 /nfs/dbraw/zinc/16/34/30/541163430.db2.gz NVZPHNQNAZCFDF-UHFFFAOYSA-N 1 2 360.414 2.351 20 30 FEEDLO C=CCNC(=O)C[NH+]1CCN(Cc2csc(CCC(C)C)n2)CC1 ZINC000065040154 541223963 /nfs/dbraw/zinc/22/39/63/541223963.db2.gz AMFQBXTUJIJYJD-UHFFFAOYSA-N 1 2 350.532 2.152 20 30 FEEDLO COc1ccc(C[NH+](CC(=O)NCC#N)Cc2ccc(OC)cc2)cc1 ZINC000066530193 541332415 /nfs/dbraw/zinc/33/24/15/541332415.db2.gz STMGXIYCLIYOIH-UHFFFAOYSA-N 1 2 353.422 2.346 20 30 FEEDLO CCN(C1CC[NH+](Cc2cn3ccccc3c2C#N)CC1)S(C)(=O)=O ZINC000066883557 541386016 /nfs/dbraw/zinc/38/60/16/541386016.db2.gz OKHNKOFHPHXTEI-UHFFFAOYSA-N 1 2 360.483 2.057 20 30 FEEDLO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(c2ccc(Cl)c(C#N)n2)CC1 ZINC000067371993 541451086 /nfs/dbraw/zinc/45/10/86/541451086.db2.gz HUFDDCRYTJVQEN-ZDUSSCGKSA-N 1 2 361.877 2.176 20 30 FEEDLO C=CC[N@@H+](CCC(=O)Nc1ccc(Cl)cc1F)[C@H]1CCS(=O)(=O)C1 ZINC000067400053 541457367 /nfs/dbraw/zinc/45/73/67/541457367.db2.gz XWTMDLVNARFHNX-ZDUSSCGKSA-N 1 2 374.865 2.483 20 30 FEEDLO C=CC[N@H+](CCC(=O)Nc1ccc(Cl)cc1F)[C@H]1CCS(=O)(=O)C1 ZINC000067400053 541457369 /nfs/dbraw/zinc/45/73/69/541457369.db2.gz XWTMDLVNARFHNX-ZDUSSCGKSA-N 1 2 374.865 2.483 20 30 FEEDLO N#Cc1ccc(OCC(=O)Nc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000068197844 541561840 /nfs/dbraw/zinc/56/18/40/541561840.db2.gz HISWZTFBKXAKQD-UHFFFAOYSA-N 1 2 351.406 2.408 20 30 FEEDLO C=CC[N@@H+](CC(=O)N(CC)[C@@H]1CCS(=O)(=O)C1)CC1CCCCC1 ZINC000069859772 541719325 /nfs/dbraw/zinc/71/93/25/541719325.db2.gz DLHMWHDKHTWXPR-QGZVFWFLSA-N 1 2 356.532 2.090 20 30 FEEDLO C=CC[N@H+](CC(=O)N(CC)[C@@H]1CCS(=O)(=O)C1)CC1CCCCC1 ZINC000069859772 541719330 /nfs/dbraw/zinc/71/93/30/541719330.db2.gz DLHMWHDKHTWXPR-QGZVFWFLSA-N 1 2 356.532 2.090 20 30 FEEDLO N#Cc1ccccc1OCC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000071807117 541772949 /nfs/dbraw/zinc/77/29/49/541772949.db2.gz APRHHTSPUSGDQP-IBGZPJMESA-N 1 2 365.433 2.127 20 30 FEEDLO CO[C@@H](CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(C)(C)C ZINC000073150192 541925926 /nfs/dbraw/zinc/92/59/26/541925926.db2.gz UCZNCDYSRRUDIR-SFHVURJKSA-N 1 2 358.486 2.447 20 30 FEEDLO N#Cc1cccc(CS(=O)(=O)NCc2ccccc2Cn2cc[nH+]c2)c1 ZINC000073803192 542002111 /nfs/dbraw/zinc/00/21/11/542002111.db2.gz LXUFKCCYOQJYPG-UHFFFAOYSA-N 1 2 366.446 2.423 20 30 FEEDLO C=CCOc1ccccc1CNC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000074170023 542048469 /nfs/dbraw/zinc/04/84/69/542048469.db2.gz NMWVZYVZRYTZMQ-GOSISDBHSA-N 1 2 359.470 2.258 20 30 FEEDLO N#Cc1cccc(-c2nnc(CN3CCCC[C@@H]3C[NH+]3CCOCC3)o2)c1 ZINC000075968867 542220770 /nfs/dbraw/zinc/22/07/70/542220770.db2.gz OJQXXEDSFKJJDT-GOSISDBHSA-N 1 2 367.453 2.295 20 30 FEEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000077468631 542385096 /nfs/dbraw/zinc/38/50/96/542385096.db2.gz QKVHZNDMVKZGCJ-CABCVRRESA-N 1 2 361.515 2.448 20 30 FEEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000077468631 542385097 /nfs/dbraw/zinc/38/50/97/542385097.db2.gz QKVHZNDMVKZGCJ-CABCVRRESA-N 1 2 361.515 2.448 20 30 FEEDLO C[C@H](Sc1cc(C#N)ccn1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000077908648 542431317 /nfs/dbraw/zinc/43/13/17/542431317.db2.gz MKJLDVUNCWRTOJ-AWEZNQCLSA-N 1 2 353.451 2.178 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Nc1cc(F)c(F)cc1F ZINC000078570869 542468179 /nfs/dbraw/zinc/46/81/79/542468179.db2.gz BTKDJEKDCAJSGC-UHFFFAOYSA-N 1 2 356.348 2.184 20 30 FEEDLO Cc1ccc(NC(=O)CN(CCC#N)CC[NH+]2CCOCC2)cc1Cl ZINC000078681464 542475994 /nfs/dbraw/zinc/47/59/94/542475994.db2.gz LCCDSRPXXYCVGV-UHFFFAOYSA-N 1 2 364.877 2.135 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1ccc(OC2CCC2)cc1 ZINC000079844564 542545218 /nfs/dbraw/zinc/54/52/18/542545218.db2.gz JCLFRIDIZJNGQM-UHFFFAOYSA-N 1 2 357.454 2.306 20 30 FEEDLO C=CCNC(=O)c1ccc(N(C)Cc2[nH+]ccn2CC(F)(F)F)nc1 ZINC000080983973 542622102 /nfs/dbraw/zinc/62/21/02/542622102.db2.gz SIHAHSGPVVHVQD-UHFFFAOYSA-N 1 2 353.348 2.393 20 30 FEEDLO C[N@@H+]1CCO[C@H](C(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)C1 ZINC000081337805 542649990 /nfs/dbraw/zinc/64/99/90/542649990.db2.gz JYNLZHKTYIAQJM-PMACEKPBSA-N 1 2 365.433 2.277 20 30 FEEDLO C[N@H+]1CCO[C@H](C(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)C1 ZINC000081337805 542649994 /nfs/dbraw/zinc/64/99/94/542649994.db2.gz JYNLZHKTYIAQJM-PMACEKPBSA-N 1 2 365.433 2.277 20 30 FEEDLO N#Cc1cc(F)ccc1NC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000097473681 543012069 /nfs/dbraw/zinc/01/20/69/543012069.db2.gz LBXCKKPHQIMMLX-QGZVFWFLSA-N 1 2 364.446 2.027 20 30 FEEDLO N#Cc1cccnc1N1CC[NH+](CC(=O)N(C2CC2)C2CCCC2)CC1 ZINC000101543806 543029730 /nfs/dbraw/zinc/02/97/30/543029730.db2.gz CTEVPPYIHYUJAI-UHFFFAOYSA-N 1 2 353.470 2.009 20 30 FEEDLO N#Cc1ccc(NC(=O)C(=O)N2CCC(n3cc[nH+]c3)CC2)cc1Cl ZINC000101866558 543047260 /nfs/dbraw/zinc/04/72/60/543047260.db2.gz VZCSKZLNCCAGOC-UHFFFAOYSA-N 1 2 357.801 2.210 20 30 FEEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)NCCCn1cc[nH+]c1 ZINC000108603271 543297209 /nfs/dbraw/zinc/29/72/09/543297209.db2.gz ZTEGXNYHWJOJHW-AWEZNQCLSA-N 1 2 371.466 2.280 20 30 FEEDLO N#CCOc1ccc(CC(=O)N2CCC[N@H+](Cc3cscn3)CC2)cc1 ZINC000110694828 543365501 /nfs/dbraw/zinc/36/55/01/543365501.db2.gz FFABHBJYBINJBZ-UHFFFAOYSA-N 1 2 370.478 2.322 20 30 FEEDLO N#CCOc1ccc(CC(=O)N2CCC[N@@H+](Cc3cscn3)CC2)cc1 ZINC000110694828 543365503 /nfs/dbraw/zinc/36/55/03/543365503.db2.gz FFABHBJYBINJBZ-UHFFFAOYSA-N 1 2 370.478 2.322 20 30 FEEDLO C[C@H](Oc1ccccc1C#N)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000110956124 543375181 /nfs/dbraw/zinc/37/51/81/543375181.db2.gz RNJGNRYHIJZNBZ-FUHWJXTLSA-N 1 2 357.454 2.039 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F ZINC000112887843 543466176 /nfs/dbraw/zinc/46/61/76/543466176.db2.gz DVQKPUYHQIHGOA-DLBZAZTESA-N 1 2 363.408 2.143 20 30 FEEDLO Cc1cc(C)n(-c2ccc(C(N)=[NH+]OCc3nc(CC(C)C)no3)cn2)n1 ZINC000112969616 543470302 /nfs/dbraw/zinc/47/03/02/543470302.db2.gz KGULAZCYGKJHKD-UHFFFAOYSA-N 1 2 369.429 2.303 20 30 FEEDLO N#CCCN(C(=O)C[N@@H+]1CCC[C@@H]1C(=O)NC1CC1)c1cccc(Cl)c1 ZINC000113505225 543489126 /nfs/dbraw/zinc/48/91/26/543489126.db2.gz ZFQLFDHCVBYVCN-QGZVFWFLSA-N 1 2 374.872 2.330 20 30 FEEDLO N#CCCN(C(=O)C[N@H+]1CCC[C@@H]1C(=O)NC1CC1)c1cccc(Cl)c1 ZINC000113505225 543489129 /nfs/dbraw/zinc/48/91/29/543489129.db2.gz ZFQLFDHCVBYVCN-QGZVFWFLSA-N 1 2 374.872 2.330 20 30 FEEDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)Cc2ccc(OCC#N)cc2)C1 ZINC000120504170 543681116 /nfs/dbraw/zinc/68/11/16/543681116.db2.gz WOWDIGPZOBBZQD-KRWDZBQOSA-N 1 2 352.438 2.346 20 30 FEEDLO C=CCCOCCNC(=O)NC[C@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000122121490 543703765 /nfs/dbraw/zinc/70/37/65/543703765.db2.gz WTSUAXXELBTEFV-LJQANCHMSA-N 1 2 361.486 2.260 20 30 FEEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CCSC[C@@H]2CC(=O)OC)c1C ZINC000123314327 543754456 /nfs/dbraw/zinc/75/44/56/543754456.db2.gz PAORILCTQKLFRO-HNNXBMFYSA-N 1 2 350.484 2.454 20 30 FEEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CCSC[C@@H]2CC(=O)OC)c1C ZINC000123314327 543754459 /nfs/dbraw/zinc/75/44/59/543754459.db2.gz PAORILCTQKLFRO-HNNXBMFYSA-N 1 2 350.484 2.454 20 30 FEEDLO C[NH+](C)[C@@H](CNS(=O)(=O)c1c(F)cc(C#N)cc1F)c1ccco1 ZINC000124005026 543796361 /nfs/dbraw/zinc/79/63/61/543796361.db2.gz WASKOBJYJVPYOI-ZDUSSCGKSA-N 1 2 355.366 2.011 20 30 FEEDLO C[C@@H](CNS(=O)(=O)c1c(F)cc(C#N)cc1F)[N@@H+]1CCC[C@@H](C)C1 ZINC000124250990 543809945 /nfs/dbraw/zinc/80/99/45/543809945.db2.gz GDYLMQWRBGPVNB-NEPJUHHUSA-N 1 2 357.426 2.235 20 30 FEEDLO C[C@@H](CNS(=O)(=O)c1c(F)cc(C#N)cc1F)[N@H+]1CCC[C@@H](C)C1 ZINC000124250990 543809947 /nfs/dbraw/zinc/80/99/47/543809947.db2.gz GDYLMQWRBGPVNB-NEPJUHHUSA-N 1 2 357.426 2.235 20 30 FEEDLO C#CCC[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000127946822 544023159 /nfs/dbraw/zinc/02/31/59/544023159.db2.gz NKHRTKZXZPLISV-UHFFFAOYSA-N 1 2 355.316 2.395 20 30 FEEDLO C=CCCOCCNC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1OC ZINC000127473963 543995577 /nfs/dbraw/zinc/99/55/77/543995577.db2.gz AWAXJCQARYZLHJ-QGZVFWFLSA-N 1 2 358.442 2.410 20 30 FEEDLO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](c1ccco1)c1ccccc1OC ZINC000130820550 544166301 /nfs/dbraw/zinc/16/63/01/544166301.db2.gz DMNUHDUPCDAQTR-CXAGYDPISA-N 1 2 357.410 2.368 20 30 FEEDLO C[N@H+](CCC(=O)Nc1ccc(C#N)cc1)Cc1nc2ccsc2c(=O)[nH]1 ZINC000131784213 544206766 /nfs/dbraw/zinc/20/67/66/544206766.db2.gz QSPBOWMKNFFYHJ-UHFFFAOYSA-N 1 2 367.434 2.317 20 30 FEEDLO C[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)Cc1nc2ccsc2c(=O)[nH]1 ZINC000131784213 544206767 /nfs/dbraw/zinc/20/67/67/544206767.db2.gz QSPBOWMKNFFYHJ-UHFFFAOYSA-N 1 2 367.434 2.317 20 30 FEEDLO CCOc1ccccc1N1CC[NH+](CC(=O)N(CC)C[C@@H](C)C#N)CC1 ZINC000132354841 544227857 /nfs/dbraw/zinc/22/78/57/544227857.db2.gz JGYLSWURIDNXJX-KRWDZBQOSA-N 1 2 358.486 2.215 20 30 FEEDLO N#Cc1ccc(NC(=O)C(=O)N2CC[NH+](Cc3cccs3)CC2)c(F)c1 ZINC000135937151 544363683 /nfs/dbraw/zinc/36/36/83/544363683.db2.gz IUXFUQONSWXUIX-UHFFFAOYSA-N 1 2 372.425 2.042 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)NCc2cc[nH+]c(N3CCCC3)c2)c(F)c1 ZINC000151044350 544499092 /nfs/dbraw/zinc/49/90/92/544499092.db2.gz ARVRUUFTQDGZFV-UHFFFAOYSA-N 1 2 360.414 2.171 20 30 FEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)Cc1cc(Br)cn1C ZINC000151490905 544548192 /nfs/dbraw/zinc/54/81/92/544548192.db2.gz XHZUKQQTANTBTH-LBPRGKRZSA-N 1 2 355.280 2.228 20 30 FEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)Cc1cc(Br)cn1C ZINC000151490905 544548195 /nfs/dbraw/zinc/54/81/95/544548195.db2.gz XHZUKQQTANTBTH-LBPRGKRZSA-N 1 2 355.280 2.228 20 30 FEEDLO COc1cc(/C=C/C(=O)NC[C@@H](C)Cn2cc[nH+]c2)ccc1OCC#N ZINC000153632608 544800951 /nfs/dbraw/zinc/80/09/51/544800951.db2.gz UYCHMQYLODUAOQ-CSPWOOARSA-N 1 2 354.410 2.260 20 30 FEEDLO C[C@H](CNC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)Cn1cc[nH+]c1 ZINC000153698796 544810423 /nfs/dbraw/zinc/81/04/23/544810423.db2.gz PMCVLSGPTSIDPR-OAHLLOKOSA-N 1 2 374.466 2.027 20 30 FEEDLO CCN(CC)c1ncc(CN(CCC#N)CC[NH+]2CCOCC2)s1 ZINC000154755248 544944900 /nfs/dbraw/zinc/94/49/00/544944900.db2.gz AYYPZDDAZVQRHT-UHFFFAOYSA-N 1 2 351.520 2.037 20 30 FEEDLO Cc1cccc(-c2n[nH]cc2CN(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000154757328 544945970 /nfs/dbraw/zinc/94/59/70/544945970.db2.gz UKFWRUKRWMDHBN-UHFFFAOYSA-N 1 2 353.470 2.433 20 30 FEEDLO C#CCCCCNC(=O)N1CC[NH+](Cc2cc(OC)ccc2OC)CC1 ZINC000154917655 544965411 /nfs/dbraw/zinc/96/54/11/544965411.db2.gz KTYJFMSBYRKKKV-UHFFFAOYSA-N 1 2 359.470 2.335 20 30 FEEDLO COCCC[N@@H+]1Cc2cccc(NS(=O)(=O)c3ccc(C#N)nc3)c2C1 ZINC000155005570 544976059 /nfs/dbraw/zinc/97/60/59/544976059.db2.gz FBNMBIDJEFLEKT-UHFFFAOYSA-N 1 2 372.450 2.106 20 30 FEEDLO COCCC[N@H+]1Cc2cccc(NS(=O)(=O)c3ccc(C#N)nc3)c2C1 ZINC000155005570 544976064 /nfs/dbraw/zinc/97/60/64/544976064.db2.gz FBNMBIDJEFLEKT-UHFFFAOYSA-N 1 2 372.450 2.106 20 30 FEEDLO C[C@@H]1COCC[N@@H+]1CCNc1c(C#N)cnc2c(F)c(F)c(F)cc21 ZINC000553033130 674234557 /nfs/dbraw/zinc/23/45/57/674234557.db2.gz QAPLZGITYFSFGM-SNVBAGLBSA-N 1 2 350.344 2.078 20 30 FEEDLO C[C@@H]1COCC[N@H+]1CCNc1c(C#N)cnc2c(F)c(F)c(F)cc21 ZINC000553033130 674234560 /nfs/dbraw/zinc/23/45/60/674234560.db2.gz QAPLZGITYFSFGM-SNVBAGLBSA-N 1 2 350.344 2.078 20 30 FEEDLO C[N@@H+]1CC[C@H](NC(=O)C(=O)NCCCCC#N)[C@@H]1c1ccc(Cl)cc1 ZINC000553268925 674249641 /nfs/dbraw/zinc/24/96/41/674249641.db2.gz GCWCTWTUKSRWGI-HOTGVXAUSA-N 1 2 362.861 2.011 20 30 FEEDLO C[N@H+]1CC[C@H](NC(=O)C(=O)NCCCCC#N)[C@@H]1c1ccc(Cl)cc1 ZINC000553268925 674249643 /nfs/dbraw/zinc/24/96/43/674249643.db2.gz GCWCTWTUKSRWGI-HOTGVXAUSA-N 1 2 362.861 2.011 20 30 FEEDLO Cn1cc(C[NH+]2CCN(CC(=O)Nc3ccc(Cl)cc3)CC2)cc1C#N ZINC000191452113 328266202 /nfs/dbraw/zinc/26/62/02/328266202.db2.gz LBCJQLSGVXDNHI-UHFFFAOYSA-N 1 2 371.872 2.306 20 30 FEEDLO CCOC1CC(CNC(=O)Nc2cccc(C#N)c2C)([NH+]2CCOCC2)C1 ZINC000193681534 328389546 /nfs/dbraw/zinc/38/95/46/328389546.db2.gz DMCLZLYUPZBVEF-UHFFFAOYSA-N 1 2 372.469 2.258 20 30 FEEDLO N#Cc1cc(NC(=O)C(=O)NCCCNc2cccc[nH+]2)ccc1Cl ZINC000193722371 328391752 /nfs/dbraw/zinc/39/17/52/328391752.db2.gz IVHZONQMWIDMNW-UHFFFAOYSA-N 1 2 357.801 2.164 20 30 FEEDLO COC(=O)[C@H](c1cccc(C#N)c1)N1CC[NH+](Cc2c(C)noc2C)CC1 ZINC000083169481 325214108 /nfs/dbraw/zinc/21/41/08/325214108.db2.gz DLMZUSYEHIABHE-IBGZPJMESA-N 1 2 368.437 2.195 20 30 FEEDLO N#Cc1csc(C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)c1 ZINC000084179994 325228532 /nfs/dbraw/zinc/22/85/32/325228532.db2.gz YEZCZLCISVIELS-UHFFFAOYSA-N 1 2 358.442 2.311 20 30 FEEDLO COC(=O)c1ccc(C[NH+]2CCN(c3ncccc3C#N)CC2)cc1F ZINC000089102202 325303728 /nfs/dbraw/zinc/30/37/28/325303728.db2.gz YWOCCZRVCPDBKG-UHFFFAOYSA-N 1 2 354.385 2.201 20 30 FEEDLO C[C@H]1CCCC[C@@H]1N(C)C(=O)C[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000101543824 325470737 /nfs/dbraw/zinc/47/07/37/325470737.db2.gz WQYOQZKSIKQQDD-WMZOPIPTSA-N 1 2 355.486 2.112 20 30 FEEDLO N#Cc1cccnc1N1CCN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000107611383 325631265 /nfs/dbraw/zinc/63/12/65/325631265.db2.gz DCDVUVZPVXESPS-UHFFFAOYSA-N 1 2 372.432 2.160 20 30 FEEDLO N#Cc1cccc(C[NH+]2CCN([C@H]3CCN(c4ccccc4)C3=O)CC2)c1 ZINC000112705539 325801602 /nfs/dbraw/zinc/80/16/02/325801602.db2.gz MFMAFUGFINSJKL-NRFANRHFSA-N 1 2 360.461 2.481 20 30 FEEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CCC[C@H](CO)C2)c1C#N ZINC000119867089 326207254 /nfs/dbraw/zinc/20/72/54/326207254.db2.gz ZRGUZPJUQMSQND-INIZCTEOSA-N 1 2 370.453 2.261 20 30 FEEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CCC[C@H](CO)C2)c1C#N ZINC000119867089 326207256 /nfs/dbraw/zinc/20/72/56/326207256.db2.gz ZRGUZPJUQMSQND-INIZCTEOSA-N 1 2 370.453 2.261 20 30 FEEDLO COC(=O)[C@H](c1cccc(C#N)c1)N1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000120051227 326225202 /nfs/dbraw/zinc/22/52/02/326225202.db2.gz BZEPENWEBFIIAO-IBGZPJMESA-N 1 2 350.422 2.298 20 30 FEEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(N2CCCCC2=O)CC1 ZINC000120497090 326263749 /nfs/dbraw/zinc/26/37/49/326263749.db2.gz HNHDAUKZGLZFNN-HNNXBMFYSA-N 1 2 354.454 2.362 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(CC(=O)NCc3ccccc3)CC2)s1 ZINC000124421823 326453472 /nfs/dbraw/zinc/45/34/72/326453472.db2.gz ARFWQVFQAQLEKZ-UHFFFAOYSA-N 1 2 354.479 2.054 20 30 FEEDLO Cc1cccc(S(=O)(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)c1C#N ZINC000156299720 326825401 /nfs/dbraw/zinc/82/54/01/326825401.db2.gz ARDGQYLGGMLOBZ-HUUCEWRRSA-N 1 2 365.499 2.033 20 30 FEEDLO COc1cccc([C@@H]2C[N@H+](C[C@H](O)COc3ccc(C#N)cc3)CCO2)c1 ZINC000167597848 327085654 /nfs/dbraw/zinc/08/56/54/327085654.db2.gz ZWFHJMSCFREDNZ-RXVVDRJESA-N 1 2 368.433 2.380 20 30 FEEDLO COc1cccc([C@@H]2C[N@@H+](C[C@H](O)COc3ccc(C#N)cc3)CCO2)c1 ZINC000167597848 327085656 /nfs/dbraw/zinc/08/56/56/327085656.db2.gz ZWFHJMSCFREDNZ-RXVVDRJESA-N 1 2 368.433 2.380 20 30 FEEDLO C[C@@H]1C[NH+]=C(N2CCN(C(=O)CSc3ccc(C#N)cc3)CC2)S1 ZINC000173072638 327233773 /nfs/dbraw/zinc/23/37/73/327233773.db2.gz ULQQIIZJZWMFLW-CYBMUJFWSA-N 1 2 360.508 2.286 20 30 FEEDLO N#Cc1ccc(-c2nnc(CN3CCCC[C@H]3C[NH+]3CCOCC3)o2)cc1 ZINC000174173745 327310613 /nfs/dbraw/zinc/31/06/13/327310613.db2.gz SUBKOWAJTVHLJX-SFHVURJKSA-N 1 2 367.453 2.295 20 30 FEEDLO COc1cc(OC)cc([C@@H](NC(=O)c2cc(C#N)c[nH]2)c2[nH+]ccn2C)c1 ZINC000175206792 327379776 /nfs/dbraw/zinc/37/97/76/327379776.db2.gz SKZJESPVLPAPKJ-QGZVFWFLSA-N 1 2 365.393 2.156 20 30 FEEDLO N#Cc1ccc(Cl)c(S(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000177994208 327557465 /nfs/dbraw/zinc/55/74/65/327557465.db2.gz UWXIDKWGGNAGLW-UHFFFAOYSA-N 1 2 362.842 2.118 20 30 FEEDLO CCOC(=O)CCC[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000263802094 328963785 /nfs/dbraw/zinc/96/37/85/328963785.db2.gz KKAFUYRRMLISNL-UHFFFAOYSA-N 1 2 358.398 2.272 20 30 FEEDLO COc1ccc(C[N@H+](CCO)CC(=O)Nc2cccc(C#N)c2)c(OC)c1 ZINC000264736917 329054861 /nfs/dbraw/zinc/05/48/61/329054861.db2.gz QYZXZXIARCQAIZ-UHFFFAOYSA-N 1 2 369.421 2.008 20 30 FEEDLO COc1ccc(C[N@@H+](CCO)CC(=O)Nc2cccc(C#N)c2)c(OC)c1 ZINC000264736917 329054862 /nfs/dbraw/zinc/05/48/62/329054862.db2.gz QYZXZXIARCQAIZ-UHFFFAOYSA-N 1 2 369.421 2.008 20 30 FEEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCN(c2cccc(O)c2)CC1 ZINC000265926898 329173471 /nfs/dbraw/zinc/17/34/71/329173471.db2.gz DTHNFRVYDQKSCF-OAHLLOKOSA-N 1 2 350.422 2.413 20 30 FEEDLO C=C(C)CN(CC)C(=O)C[N@H+](CCNC(C)=O)Cc1ccc(C)s1 ZINC000554829894 674337832 /nfs/dbraw/zinc/33/78/32/674337832.db2.gz QQZDMYODFLXPNT-UHFFFAOYSA-N 1 2 351.516 2.419 20 30 FEEDLO C=C(C)CN(CC)C(=O)C[N@@H+](CCNC(C)=O)Cc1ccc(C)s1 ZINC000554829894 674337836 /nfs/dbraw/zinc/33/78/36/674337836.db2.gz QQZDMYODFLXPNT-UHFFFAOYSA-N 1 2 351.516 2.419 20 30 FEEDLO CC[N@@H+]1CCO[C@@H](C(=O)OCC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000805475299 674338923 /nfs/dbraw/zinc/33/89/23/674338923.db2.gz ZZBAIUGJPQKDRW-OAHLLOKOSA-N 1 2 357.328 2.201 20 30 FEEDLO CC[N@H+]1CCO[C@@H](C(=O)OCC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000805475299 674338926 /nfs/dbraw/zinc/33/89/26/674338926.db2.gz ZZBAIUGJPQKDRW-OAHLLOKOSA-N 1 2 357.328 2.201 20 30 FEEDLO CCCNC(=O)OC[C@H]1CCCC[N@@H+]1CC(=O)N[C@@](C)(C#N)C(C)C ZINC000805774433 674353354 /nfs/dbraw/zinc/35/33/54/674353354.db2.gz KGFMWKYBRBAZPL-QAPCUYQASA-N 1 2 352.479 2.032 20 30 FEEDLO CCCNC(=O)OC[C@H]1CCCC[N@H+]1CC(=O)N[C@@](C)(C#N)C(C)C ZINC000805774433 674353356 /nfs/dbraw/zinc/35/33/56/674353356.db2.gz KGFMWKYBRBAZPL-QAPCUYQASA-N 1 2 352.479 2.032 20 30 FEEDLO C[N@@H+]1CCN(CCS(=O)(=O)c2cccc(C#N)c2)C2(CCCCC2)C1 ZINC000156829290 545666432 /nfs/dbraw/zinc/66/64/32/545666432.db2.gz BZZAXAXZDZWRLZ-UHFFFAOYSA-N 1 2 361.511 2.282 20 30 FEEDLO C[N@H+]1CCN(CCS(=O)(=O)c2cccc(C#N)c2)C2(CCCCC2)C1 ZINC000156829290 545666438 /nfs/dbraw/zinc/66/64/38/545666438.db2.gz BZZAXAXZDZWRLZ-UHFFFAOYSA-N 1 2 361.511 2.282 20 30 FEEDLO CN1CC[N@H+](CCS(=O)(=O)c2cccc(C#N)c2)C2(CCCCC2)C1 ZINC000156829290 545666444 /nfs/dbraw/zinc/66/64/44/545666444.db2.gz BZZAXAXZDZWRLZ-UHFFFAOYSA-N 1 2 361.511 2.282 20 30 FEEDLO CN1CC[N@@H+](CCS(=O)(=O)c2cccc(C#N)c2)C2(CCCCC2)C1 ZINC000156829290 545666449 /nfs/dbraw/zinc/66/64/49/545666449.db2.gz BZZAXAXZDZWRLZ-UHFFFAOYSA-N 1 2 361.511 2.282 20 30 FEEDLO C=CCOCC(=O)N1CCC[N@@H+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000477476875 561145827 /nfs/dbraw/zinc/14/58/27/561145827.db2.gz GLVYCEZMFASPRL-UHFFFAOYSA-N 1 2 362.861 2.225 20 30 FEEDLO C=CCOCC(=O)N1CCC[N@H+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000477476875 561145828 /nfs/dbraw/zinc/14/58/28/561145828.db2.gz GLVYCEZMFASPRL-UHFFFAOYSA-N 1 2 362.861 2.225 20 30 FEEDLO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H]2c2nncn2C)c(OC)c1 ZINC000157162707 545706292 /nfs/dbraw/zinc/70/62/92/545706292.db2.gz CZWZGUCALZYPSS-IRXDYDNUSA-N 1 2 372.469 2.129 20 30 FEEDLO C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@H]2c2nncn2C)c(OC)c1 ZINC000157162707 545706297 /nfs/dbraw/zinc/70/62/97/545706297.db2.gz CZWZGUCALZYPSS-IRXDYDNUSA-N 1 2 372.469 2.129 20 30 FEEDLO N#Cc1ccc(OC2C[NH+](C[C@H](O)COCc3ccccc3F)C2)cc1 ZINC000158562346 545871959 /nfs/dbraw/zinc/87/19/59/545871959.db2.gz ZYDFYQAOEGBRSD-KRWDZBQOSA-N 1 2 356.397 2.338 20 30 FEEDLO CC(C)c1cccc(OCC(=O)N(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000478219838 561162323 /nfs/dbraw/zinc/16/23/23/561162323.db2.gz LBRMUGAOVTYSMB-UHFFFAOYSA-N 1 2 359.470 2.263 20 30 FEEDLO CN(C)c1cc(C#N)cc(C(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)c1 ZINC000478373945 561165237 /nfs/dbraw/zinc/16/52/37/561165237.db2.gz SGGAVKYFDZSBHS-OAHLLOKOSA-N 1 2 351.454 2.453 20 30 FEEDLO C[N@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)[C@@H]1CCCCNC1=O ZINC000162351255 546138949 /nfs/dbraw/zinc/13/89/49/546138949.db2.gz NHORLCCHCPOBRU-MRXNPFEDSA-N 1 2 362.861 2.187 20 30 FEEDLO C[N@@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)[C@@H]1CCCCNC1=O ZINC000162351255 546138955 /nfs/dbraw/zinc/13/89/55/546138955.db2.gz NHORLCCHCPOBRU-MRXNPFEDSA-N 1 2 362.861 2.187 20 30 FEEDLO CCN(C[C@@H](C)C#N)C(=O)CN1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000165866945 546154656 /nfs/dbraw/zinc/15/46/56/546154656.db2.gz GHLVAIZXKKOZKF-INIZCTEOSA-N 1 2 362.905 2.466 20 30 FEEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCN(Cc2ccccc2Cl)CC1 ZINC000165866945 546154660 /nfs/dbraw/zinc/15/46/60/546154660.db2.gz GHLVAIZXKKOZKF-INIZCTEOSA-N 1 2 362.905 2.466 20 30 FEEDLO C=CC[N@H+](CCCc1nc(-c2ccccc2)no1)[C@H]1CCS(=O)(=O)C1 ZINC000172798690 546267369 /nfs/dbraw/zinc/26/73/69/546267369.db2.gz VRFZPNBQEGFSEO-INIZCTEOSA-N 1 2 361.467 2.344 20 30 FEEDLO C=CC[N@@H+](CCCc1nc(-c2ccccc2)no1)[C@H]1CCS(=O)(=O)C1 ZINC000172798690 546267374 /nfs/dbraw/zinc/26/73/74/546267374.db2.gz VRFZPNBQEGFSEO-INIZCTEOSA-N 1 2 361.467 2.344 20 30 FEEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCc2nn(C)c(=O)cc2C1 ZINC000172798134 546267705 /nfs/dbraw/zinc/26/77/05/546267705.db2.gz SCLJHAQZKWLJGI-UHFFFAOYSA-N 1 2 370.478 2.055 20 30 FEEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCc2nn(C)c(=O)cc2C1 ZINC000172798134 546267710 /nfs/dbraw/zinc/26/77/10/546267710.db2.gz SCLJHAQZKWLJGI-UHFFFAOYSA-N 1 2 370.478 2.055 20 30 FEEDLO Cc1nc(CC(N)=[NH+]O[C@H](C)C(=O)NCCc2ccc(F)cc2)cs1 ZINC000178144807 546745621 /nfs/dbraw/zinc/74/56/21/546745621.db2.gz IQOGVSAHWHMESY-LLVKDONJSA-N 1 2 364.446 2.169 20 30 FEEDLO CCC(C)(C)NC(=O)[C@H](C)O[NH+]=C(N)c1ccc(N2CCCCC2)nc1 ZINC000178149714 546746603 /nfs/dbraw/zinc/74/66/03/546746603.db2.gz WCLPWCJJTUDSHD-AWEZNQCLSA-N 1 2 361.490 2.402 20 30 FEEDLO CCCCCNC(=O)[C@@H](C)O[NH+]=C(N)c1ccc(-n2nc(C)cc2C)nc1 ZINC000178157539 546749477 /nfs/dbraw/zinc/74/94/77/546749477.db2.gz XMEQHZTXKSZSTD-OAHLLOKOSA-N 1 2 372.473 2.216 20 30 FEEDLO N#CCOc1ccc(CNC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000178757571 546844798 /nfs/dbraw/zinc/84/47/98/546844798.db2.gz ZTPBZVCHMNOBLM-INIZCTEOSA-N 1 2 351.410 2.062 20 30 FEEDLO COCCO[C@H]1CCC[N@H+](CC(=O)Nc2sc(C)c(C)c2C#N)C1 ZINC000179364430 546940232 /nfs/dbraw/zinc/94/02/32/546940232.db2.gz OHWZYDNKMZXCQJ-AWEZNQCLSA-N 1 2 351.472 2.303 20 30 FEEDLO COCCO[C@H]1CCC[N@@H+](CC(=O)Nc2sc(C)c(C)c2C#N)C1 ZINC000179364430 546940235 /nfs/dbraw/zinc/94/02/35/546940235.db2.gz OHWZYDNKMZXCQJ-AWEZNQCLSA-N 1 2 351.472 2.303 20 30 FEEDLO COC(=O)c1ccc(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)c(F)c1 ZINC000179489139 546964890 /nfs/dbraw/zinc/96/48/90/546964890.db2.gz HDYBHCFKIZRQPQ-UHFFFAOYSA-N 1 2 354.385 2.201 20 30 FEEDLO C[C@@](C#N)(NC(=O)C[NH2+][C@@H](CO)c1c(Cl)cccc1Cl)C1CC1 ZINC000483225491 561271204 /nfs/dbraw/zinc/27/12/04/561271204.db2.gz HYEPWQUHJTWZKL-BBRMVZONSA-N 1 2 356.253 2.425 20 30 FEEDLO N#CCCN(CCC#N)C(=O)C[NH2+][C@H](CO)c1c(Cl)cccc1Cl ZINC000483226351 561271299 /nfs/dbraw/zinc/27/12/99/561271299.db2.gz AJVMDPMWQXTKMW-CQSZACIVSA-N 1 2 369.252 2.272 20 30 FEEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+](C)C[C@H](O)C(F)(F)F ZINC000181337271 547295937 /nfs/dbraw/zinc/29/59/37/547295937.db2.gz GNYOMVSIDIZNAY-DOMZBBRYSA-N 1 2 373.375 2.185 20 30 FEEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)C[C@H](O)C(F)(F)F ZINC000181337271 547295940 /nfs/dbraw/zinc/29/59/40/547295940.db2.gz GNYOMVSIDIZNAY-DOMZBBRYSA-N 1 2 373.375 2.185 20 30 FEEDLO C=CCCC[C@@H](C)NC(=O)N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC000181381216 547303559 /nfs/dbraw/zinc/30/35/59/547303559.db2.gz ZRWYWZLEKNHVOF-IAGOWNOFSA-N 1 2 350.507 2.069 20 30 FEEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2cc(-c3cnn(C)c3C)no2)c1 ZINC000184455154 547830424 /nfs/dbraw/zinc/83/04/24/547830424.db2.gz OPWHECYLLHDNKS-UHFFFAOYSA-N 1 2 363.421 2.435 20 30 FEEDLO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2cc(-c3cnn(C)c3C)no2)c1 ZINC000184455154 547830429 /nfs/dbraw/zinc/83/04/29/547830429.db2.gz OPWHECYLLHDNKS-UHFFFAOYSA-N 1 2 363.421 2.435 20 30 FEEDLO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CCO[C@]3(CCOC3)C2)cc1 ZINC000185195553 547949641 /nfs/dbraw/zinc/94/96/41/547949641.db2.gz BCXGXTLXEMIOMB-YLJYHZDGSA-N 1 2 357.454 2.122 20 30 FEEDLO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CCO[C@]3(CCOC3)C2)cc1 ZINC000185195553 547949643 /nfs/dbraw/zinc/94/96/43/547949643.db2.gz BCXGXTLXEMIOMB-YLJYHZDGSA-N 1 2 357.454 2.122 20 30 FEEDLO Cc1ccc([C@H](CNC(=O)c2cc(C#N)ccn2)[NH+]2CCOCC2)cc1 ZINC000485626203 561324303 /nfs/dbraw/zinc/32/43/03/561324303.db2.gz BWWYICGQDYBEGE-IBGZPJMESA-N 1 2 350.422 2.065 20 30 FEEDLO COc1cc(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)ccc1[N+](=O)[O-] ZINC000485800295 561328365 /nfs/dbraw/zinc/32/83/65/561328365.db2.gz LHXJAXFBOJEGAJ-UHFFFAOYSA-N 1 2 353.382 2.192 20 30 FEEDLO C[C@H]1C(=O)N(C)CC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000187019379 548241736 /nfs/dbraw/zinc/24/17/36/548241736.db2.gz ODFVWUWCVIUDGZ-ZDUSSCGKSA-N 1 2 374.510 2.380 20 30 FEEDLO C[C@H]1C(=O)N(C)CC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000187019379 548241741 /nfs/dbraw/zinc/24/17/41/548241741.db2.gz ODFVWUWCVIUDGZ-ZDUSSCGKSA-N 1 2 374.510 2.380 20 30 FEEDLO COc1ccc(C(N)=[NH+]OCCOCC(F)(F)C(F)F)cc1OC ZINC000189241117 548299593 /nfs/dbraw/zinc/29/95/93/548299593.db2.gz QLVYYSNAKBPKOD-UHFFFAOYSA-N 1 2 354.300 2.258 20 30 FEEDLO CC(C)(C)n1cc(/C=C/C(=O)c2ccc(O)c(C[NH+]3CCOCC3)c2)nn1 ZINC000191243884 548342439 /nfs/dbraw/zinc/34/24/39/548342439.db2.gz DGXXWHXGTWCYIL-FNORWQNLSA-N 1 2 370.453 2.467 20 30 FEEDLO O=C1[C@@H]([NH+]2CCN(CC#Cc3ccccc3)CC2)CCN1c1ccccc1 ZINC000192023828 548355861 /nfs/dbraw/zinc/35/58/61/548355861.db2.gz IZWAGXPMQAEUAC-QFIPXVFZSA-N 1 2 359.473 2.461 20 30 FEEDLO O=C1[C@@H](N2CC[NH+](CC#Cc3ccccc3)CC2)CCN1c1ccccc1 ZINC000192023828 548355866 /nfs/dbraw/zinc/35/58/66/548355866.db2.gz IZWAGXPMQAEUAC-QFIPXVFZSA-N 1 2 359.473 2.461 20 30 FEEDLO N#Cc1ccc(CC(=O)N2CCN(Cc3cn4ccccc4[nH+]3)CC2)cc1 ZINC000194841722 548538828 /nfs/dbraw/zinc/53/88/28/548538828.db2.gz XHPCMJOROZBAQT-UHFFFAOYSA-N 1 2 359.433 2.093 20 30 FEEDLO Cn1c2ccc(C[NH+]3CCN(c4ncccc4C#N)CC3)cc2sc1=O ZINC000194979326 548559353 /nfs/dbraw/zinc/55/93/53/548559353.db2.gz BVQLWHIREWAMKU-UHFFFAOYSA-N 1 2 365.462 2.189 20 30 FEEDLO CS(=O)(=O)c1cccnc1C[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000487184998 561365613 /nfs/dbraw/zinc/36/56/13/561365613.db2.gz HXRATDJVWNMTAI-UHFFFAOYSA-N 1 2 359.451 2.457 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccccc1 ZINC000245409115 548910433 /nfs/dbraw/zinc/91/04/33/548910433.db2.gz KOXRFIFOLRCUPY-GHTZIAJQSA-N 1 2 370.497 2.325 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccccc1 ZINC000245409115 548910436 /nfs/dbraw/zinc/91/04/36/548910436.db2.gz KOXRFIFOLRCUPY-GHTZIAJQSA-N 1 2 370.497 2.325 20 30 FEEDLO CCOC(=O)C[N@@H+]1CCCN(c2c(C#N)cnc3ccc(C)cc32)CC1 ZINC000488120913 561384005 /nfs/dbraw/zinc/38/40/05/561384005.db2.gz WDWAMSHDJMBJST-UHFFFAOYSA-N 1 2 352.438 2.490 20 30 FEEDLO CCOC(=O)C[N@H+]1CCCN(c2c(C#N)cnc3ccc(C)cc32)CC1 ZINC000488120913 561384006 /nfs/dbraw/zinc/38/40/06/561384006.db2.gz WDWAMSHDJMBJST-UHFFFAOYSA-N 1 2 352.438 2.490 20 30 FEEDLO C=CCNC(=O)C[NH+]1CCN([C@H](C)c2ccc(Br)cc2)CC1 ZINC000488269936 561387203 /nfs/dbraw/zinc/38/72/03/561387203.db2.gz FKICALNVSULPFM-CQSZACIVSA-N 1 2 366.303 2.430 20 30 FEEDLO CN(CC(=O)NCc1cccc(C#N)c1)Cc1[nH+]ccn1CC(F)(F)F ZINC000488310089 561387803 /nfs/dbraw/zinc/38/78/03/561387803.db2.gz ICECHYXJQFURJT-UHFFFAOYSA-N 1 2 365.359 2.065 20 30 FEEDLO COC(=O)[C@H](NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc(C#N)c1 ZINC000246391787 549122945 /nfs/dbraw/zinc/12/29/45/549122945.db2.gz IYBAMOHNODLOOS-RVKKMQEKSA-N 1 2 359.470 2.250 20 30 FEEDLO COC(=O)[C@H](NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc(C#N)c1 ZINC000246391787 549122948 /nfs/dbraw/zinc/12/29/48/549122948.db2.gz IYBAMOHNODLOOS-RVKKMQEKSA-N 1 2 359.470 2.250 20 30 FEEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 ZINC000248778385 549500717 /nfs/dbraw/zinc/50/07/17/549500717.db2.gz UOMBGIOFSUMAFO-HOCLYGCPSA-N 1 2 360.454 2.142 20 30 FEEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 ZINC000248778385 549500719 /nfs/dbraw/zinc/50/07/19/549500719.db2.gz UOMBGIOFSUMAFO-HOCLYGCPSA-N 1 2 360.454 2.142 20 30 FEEDLO COc1ccccc1C[N@H+](CCO)CC(=O)N(CCC#N)c1ccccc1 ZINC000264086692 549977284 /nfs/dbraw/zinc/97/72/84/549977284.db2.gz PHXXZPKBUDGEQX-UHFFFAOYSA-N 1 2 367.449 2.436 20 30 FEEDLO COc1ccccc1C[N@@H+](CCO)CC(=O)N(CCC#N)c1ccccc1 ZINC000264086692 549977286 /nfs/dbraw/zinc/97/72/86/549977286.db2.gz PHXXZPKBUDGEQX-UHFFFAOYSA-N 1 2 367.449 2.436 20 30 FEEDLO COc1ccc(C(N)=[NH+]O[C@@H](C)C(=O)NCc2cccc(OC)c2)cc1 ZINC000264894740 550002913 /nfs/dbraw/zinc/00/29/13/550002913.db2.gz AENITXWCDDNURF-ZDUSSCGKSA-N 1 2 357.410 2.046 20 30 FEEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+](C)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000265983716 550015445 /nfs/dbraw/zinc/01/54/45/550015445.db2.gz GNQBHFWTFOAAND-NSHDSACASA-N 1 2 369.368 2.209 20 30 FEEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+](C)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000265983716 550015448 /nfs/dbraw/zinc/01/54/48/550015448.db2.gz GNQBHFWTFOAAND-NSHDSACASA-N 1 2 369.368 2.209 20 30 FEEDLO COc1ccc(OC)c(NC(=O)[C@H](C)O[NH+]=C(N)[C@H](C)OCC(C)C)c1 ZINC000266209791 550018569 /nfs/dbraw/zinc/01/85/69/550018569.db2.gz NRVFVSYDVQSIRS-STQMWFEESA-N 1 2 367.446 2.381 20 30 FEEDLO CCOCc1cc(CN(CCC#N)CC[NH+]2CCOCC2)ccc1OC ZINC000269372294 550187208 /nfs/dbraw/zinc/18/72/08/550187208.db2.gz UDIQIYNIBDPJDW-UHFFFAOYSA-N 1 2 361.486 2.280 20 30 FEEDLO COc1ccc(C)cc1NC(=O)CO[NH+]=C(N)c1ccc2c(c1)CCO2 ZINC000269858306 550231314 /nfs/dbraw/zinc/23/13/14/550231314.db2.gz IBEHMQABOSDUFN-UHFFFAOYSA-N 1 2 355.394 2.214 20 30 FEEDLO N#CCCCCNC(=O)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000270127772 550250779 /nfs/dbraw/zinc/25/07/79/550250779.db2.gz AQOHKGDJXRNOEH-UHFFFAOYSA-N 1 2 363.421 2.350 20 30 FEEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N(C)Cc1[nH+]ccn1C ZINC000270966535 550326463 /nfs/dbraw/zinc/32/64/63/550326463.db2.gz BITRLDITZQJGHY-OAHLLOKOSA-N 1 2 355.442 2.196 20 30 FEEDLO Cc1cc(NC(=O)NCc2ccc(N3CCCC3)[nH+]c2)nn1CCC#N ZINC000271169651 550347632 /nfs/dbraw/zinc/34/76/32/550347632.db2.gz LQVZJLYBHWDFDW-UHFFFAOYSA-N 1 2 353.430 2.422 20 30 FEEDLO Cc1[nH]c(=O)c(C#N)c(C)c1CCc1nc([C@H]2C[N@H+](C(C)C)CCO2)no1 ZINC000272643359 550462426 /nfs/dbraw/zinc/46/24/26/550462426.db2.gz LWJIHWIFHGHKHJ-MRXNPFEDSA-N 1 2 371.441 2.226 20 30 FEEDLO Cc1[nH]c(=O)c(C#N)c(C)c1CCc1nc([C@H]2C[N@@H+](C(C)C)CCO2)no1 ZINC000272643359 550462427 /nfs/dbraw/zinc/46/24/27/550462427.db2.gz LWJIHWIFHGHKHJ-MRXNPFEDSA-N 1 2 371.441 2.226 20 30 FEEDLO N#CC1(c2nc([C@@H]3C[N@H+](Cc4ccccc4)CCO3)no2)CCOCC1 ZINC000272688017 550465360 /nfs/dbraw/zinc/46/53/60/550465360.db2.gz TWGKGKRARBURLX-INIZCTEOSA-N 1 2 354.410 2.215 20 30 FEEDLO N#CC1(c2nc([C@@H]3C[N@@H+](Cc4ccccc4)CCO3)no2)CCOCC1 ZINC000272688017 550465363 /nfs/dbraw/zinc/46/53/63/550465363.db2.gz TWGKGKRARBURLX-INIZCTEOSA-N 1 2 354.410 2.215 20 30 FEEDLO N#CCCCOc1cccnc1NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000274877013 550561825 /nfs/dbraw/zinc/56/18/25/550561825.db2.gz FFCUBYGZNAIZLW-INIZCTEOSA-N 1 2 373.457 2.093 20 30 FEEDLO C=CCS(=O)(=O)CC[NH2+][C@@H](C)c1ncc(Br)cc1F ZINC000275333859 550571510 /nfs/dbraw/zinc/57/15/10/550571510.db2.gz NLHAVIBFWQQOCY-VIFPVBQESA-N 1 2 351.241 2.235 20 30 FEEDLO C[C@H](c1nnnn1C1CC1)[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000276936371 550612979 /nfs/dbraw/zinc/61/29/79/550612979.db2.gz JMDUORWIEVCGRG-CYBMUJFWSA-N 1 2 365.441 2.291 20 30 FEEDLO C=CC[N@@H+](CCC(=O)Nc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000277395487 550665037 /nfs/dbraw/zinc/66/50/37/550665037.db2.gz DZHYPVNWHRINAC-OAHLLOKOSA-N 1 2 356.875 2.344 20 30 FEEDLO C=CC[N@H+](CCC(=O)Nc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000277395487 550665038 /nfs/dbraw/zinc/66/50/38/550665038.db2.gz DZHYPVNWHRINAC-OAHLLOKOSA-N 1 2 356.875 2.344 20 30 FEEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000278171268 550757057 /nfs/dbraw/zinc/75/70/57/550757057.db2.gz BRDQELKWZQWTHF-UYAOXDASSA-N 1 2 371.481 2.187 20 30 FEEDLO N#C[C@@H]1CC[C@H]([NH+]2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C1 ZINC000278746408 550817579 /nfs/dbraw/zinc/81/75/79/550817579.db2.gz WUKQOJQGCHVHQV-HIFRSBDPSA-N 1 2 353.875 2.339 20 30 FEEDLO Cc1ccc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)c(F)c1Cl ZINC000279271394 550871894 /nfs/dbraw/zinc/87/18/94/550871894.db2.gz RSPULDBDPKWMGX-UHFFFAOYSA-N 1 2 353.825 2.476 20 30 FEEDLO C[C@H]([C@H](C)NC(=O)c1cc(-c2cccc(C#N)c2)no1)[NH+]1CCOCC1 ZINC000279293054 550874481 /nfs/dbraw/zinc/87/44/81/550874481.db2.gz UTFUQJDLNZUZCZ-UONOGXRCSA-N 1 2 354.410 2.052 20 30 FEEDLO CCCN1CCC[N@H+](Cc2cn(CCC#N)nc2-c2ccncc2)CC1=O ZINC000279454786 550891887 /nfs/dbraw/zinc/89/18/87/550891887.db2.gz SYUUCYMWCVRXBP-UHFFFAOYSA-N 1 2 366.469 2.303 20 30 FEEDLO CCCN1CCC[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)CC1=O ZINC000279454786 550891888 /nfs/dbraw/zinc/89/18/88/550891888.db2.gz SYUUCYMWCVRXBP-UHFFFAOYSA-N 1 2 366.469 2.303 20 30 FEEDLO C#CCn1ccc(C[N@@H+](CC)[C@@H](C)C(=O)NCc2ccccc2OC)n1 ZINC000279645749 550912032 /nfs/dbraw/zinc/91/20/32/550912032.db2.gz ASMYLIIIKOOWEY-INIZCTEOSA-N 1 2 354.454 2.052 20 30 FEEDLO C#CCn1ccc(C[N@H+](CC)[C@@H](C)C(=O)NCc2ccccc2OC)n1 ZINC000279645749 550912033 /nfs/dbraw/zinc/91/20/33/550912033.db2.gz ASMYLIIIKOOWEY-INIZCTEOSA-N 1 2 354.454 2.052 20 30 FEEDLO C#CCn1ccc(C[N@@H+](CC)[C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)n1 ZINC000279725599 550921685 /nfs/dbraw/zinc/92/16/85/550921685.db2.gz MISQIMMRHWVWLF-AWEZNQCLSA-N 1 2 354.410 2.094 20 30 FEEDLO C#CCn1ccc(C[N@H+](CC)[C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)n1 ZINC000279725599 550921686 /nfs/dbraw/zinc/92/16/86/550921686.db2.gz MISQIMMRHWVWLF-AWEZNQCLSA-N 1 2 354.410 2.094 20 30 FEEDLO C#Cc1cccc(NC(=O)CN(C)C(=O)C2CC[NH+](CC(F)F)CC2)c1 ZINC000280792052 551032862 /nfs/dbraw/zinc/03/28/62/551032862.db2.gz OLLWNAQWXAKDKX-UHFFFAOYSA-N 1 2 363.408 2.042 20 30 FEEDLO C=CCN1CC[C@@H]([NH+]2CCN(Cc3nc4ccccc4s3)CC2)C1=O ZINC000280964705 551049928 /nfs/dbraw/zinc/04/99/28/551049928.db2.gz HJDAGRZCOVLUSZ-MRXNPFEDSA-N 1 2 356.495 2.201 20 30 FEEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](C)C(=O)Nc2cccc3ncccc32)C1=O ZINC000281384074 551090788 /nfs/dbraw/zinc/09/07/88/551090788.db2.gz PIAQAOGEXHVSAG-KBXCAEBGSA-N 1 2 352.438 2.281 20 30 FEEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H](C)C(=O)Nc2cccc3ncccc32)C1=O ZINC000281384074 551090790 /nfs/dbraw/zinc/09/07/90/551090790.db2.gz PIAQAOGEXHVSAG-KBXCAEBGSA-N 1 2 352.438 2.281 20 30 FEEDLO C[C@H]1CN(c2ccc(CNC(=O)NCC3CCC(C#N)CC3)c[nH+]2)CCO1 ZINC000281871097 551151216 /nfs/dbraw/zinc/15/12/16/551151216.db2.gz OVIQTUCOIKJHAB-GTPINHCMSA-N 1 2 371.485 2.436 20 30 FEEDLO Cc1cc(C)n(-c2ccc(C(N)=[NH+]OCc3ncnn3C(C)(C)C)cn2)n1 ZINC000282183174 551191797 /nfs/dbraw/zinc/19/17/97/551191797.db2.gz GLBJCQUJCZLKHU-UHFFFAOYSA-N 1 2 368.445 2.068 20 30 FEEDLO Cn1c2c([nH+]c1[C@H]1CCCN1S(=O)(=O)c1ccc(C#N)nc1)CCCC2 ZINC000282482277 551235056 /nfs/dbraw/zinc/23/50/56/551235056.db2.gz XQWCVRPCPOUQMF-QGZVFWFLSA-N 1 2 371.466 2.091 20 30 FEEDLO C[C@H](O)c1ncc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000282949501 551288630 /nfs/dbraw/zinc/28/86/30/551288630.db2.gz KWGVDVHUJKFNDI-AWEZNQCLSA-N 1 2 370.478 2.416 20 30 FEEDLO C[C@H](O)c1ncc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000282949501 551288631 /nfs/dbraw/zinc/28/86/31/551288631.db2.gz KWGVDVHUJKFNDI-AWEZNQCLSA-N 1 2 370.478 2.416 20 30 FEEDLO N#Cc1cc(S(=O)(=O)NCCCn2cc[nH+]c2)ccc1C(F)(F)F ZINC000283560840 551387862 /nfs/dbraw/zinc/38/78/62/551387862.db2.gz PUSKWGMXSCBHSG-UHFFFAOYSA-N 1 2 358.345 2.142 20 30 FEEDLO C=CCCCN(C)C(=O)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000284420019 551545392 /nfs/dbraw/zinc/54/53/92/551545392.db2.gz SJFQAHXYFUCBFT-MRXNPFEDSA-N 1 2 358.417 2.189 20 30 FEEDLO NC(=[NH+]OC[C@@H]1CCCS(=O)(=O)C1)c1cccc(C(F)(F)F)c1 ZINC000284600719 551587265 /nfs/dbraw/zinc/58/72/65/551587265.db2.gz YKMLONDUHPTGQG-JTQLQIEISA-N 1 2 350.362 2.167 20 30 FEEDLO C=CCCN(C)C(=O)C(=O)N[C@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000284764677 551627366 /nfs/dbraw/zinc/62/73/66/551627366.db2.gz RLOPDTCOHGUPDY-HNNXBMFYSA-N 1 2 360.845 2.314 20 30 FEEDLO Cc1oc(NC(=O)C[N@@H+]2CCC[C@@](O)(C(F)(F)F)CC2)c(C#N)c1C ZINC000285355011 551743103 /nfs/dbraw/zinc/74/31/03/551743103.db2.gz ABDYBMNRABJJMY-HNNXBMFYSA-N 1 2 359.348 2.486 20 30 FEEDLO Cc1oc(NC(=O)C[N@H+]2CCC[C@@](O)(C(F)(F)F)CC2)c(C#N)c1C ZINC000285355011 551743104 /nfs/dbraw/zinc/74/31/04/551743104.db2.gz ABDYBMNRABJJMY-HNNXBMFYSA-N 1 2 359.348 2.486 20 30 FEEDLO N#CC1(CS(=O)(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CCCC1 ZINC000498897078 561536921 /nfs/dbraw/zinc/53/69/21/561536921.db2.gz KXGCAEIHXITPQN-UHFFFAOYSA-N 1 2 358.467 2.435 20 30 FEEDLO C=CCOc1ccc(C(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)cc1OC ZINC000286001237 551836775 /nfs/dbraw/zinc/83/67/75/551836775.db2.gz YJXXSGUUDDXHMB-RDJZCZTQSA-N 1 2 360.454 2.195 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1cscc1Br ZINC000286181766 551858094 /nfs/dbraw/zinc/85/80/94/551858094.db2.gz ZHUZOVOUMGZCGY-UHFFFAOYSA-N 1 2 372.288 2.199 20 30 FEEDLO Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000499029231 561541517 /nfs/dbraw/zinc/54/15/17/561541517.db2.gz HYLISUFGZUTCPC-UHFFFAOYSA-N 1 2 354.458 2.476 20 30 FEEDLO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(c3ncccc3C#N)C2)CC1 ZINC000286619294 551907033 /nfs/dbraw/zinc/90/70/33/551907033.db2.gz UMIHSNGQVJCMLI-MRXNPFEDSA-N 1 2 357.458 2.085 20 30 FEEDLO CNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000286682820 551914228 /nfs/dbraw/zinc/91/42/28/551914228.db2.gz CJELHYUNBGPDNT-HNNXBMFYSA-N 1 2 355.398 2.319 20 30 FEEDLO CNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000286682820 551914230 /nfs/dbraw/zinc/91/42/30/551914230.db2.gz CJELHYUNBGPDNT-HNNXBMFYSA-N 1 2 355.398 2.319 20 30 FEEDLO CN(CCCn1cc[nH+]c1)C(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000287499679 552012211 /nfs/dbraw/zinc/01/22/11/552012211.db2.gz YRTMAEOZIBKHHG-MRXNPFEDSA-N 1 2 355.417 2.269 20 30 FEEDLO Cc1oc(NC(=O)C[N@@H+]2CC[C@H](OCc3ccncc3)C2)c(C#N)c1C ZINC000287806241 552048738 /nfs/dbraw/zinc/04/87/38/552048738.db2.gz OUVZPHIYANZJEV-INIZCTEOSA-N 1 2 354.410 2.393 20 30 FEEDLO Cc1oc(NC(=O)C[N@H+]2CC[C@H](OCc3ccncc3)C2)c(C#N)c1C ZINC000287806241 552048740 /nfs/dbraw/zinc/04/87/40/552048740.db2.gz OUVZPHIYANZJEV-INIZCTEOSA-N 1 2 354.410 2.393 20 30 FEEDLO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000499681387 561555901 /nfs/dbraw/zinc/55/59/01/561555901.db2.gz JTVATMUSEACCPZ-LJQANCHMSA-N 1 2 367.453 2.029 20 30 FEEDLO C#CC[C@@H](Cc1ccccc1)NC(=O)N1CC[C@H]([NH+]2CCN(CC)CC2)C1 ZINC000288240573 552116816 /nfs/dbraw/zinc/11/68/16/552116816.db2.gz SFWNDKOFORGRBS-SFTDATJTSA-N 1 2 368.525 2.042 20 30 FEEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](C(=O)N2CCCCC2)c2ccccc2)C1=O ZINC000499996765 561563838 /nfs/dbraw/zinc/56/38/38/561563838.db2.gz CUJKZAPXWWKSME-MOPGFXCFSA-N 1 2 355.482 2.459 20 30 FEEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](C(=O)N2CCCCC2)c2ccccc2)C1=O ZINC000499996765 561563839 /nfs/dbraw/zinc/56/38/39/561563839.db2.gz CUJKZAPXWWKSME-MOPGFXCFSA-N 1 2 355.482 2.459 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)NCCOc2ccc(C(C)C)cc2)C1=O ZINC000500009407 561564039 /nfs/dbraw/zinc/56/40/39/561564039.db2.gz CZRBMZUVCOAFBM-IBGZPJMESA-N 1 2 373.497 2.024 20 30 FEEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)NCCOc2ccc(C(C)C)cc2)C1=O ZINC000500009407 561564040 /nfs/dbraw/zinc/56/40/40/561564040.db2.gz CZRBMZUVCOAFBM-IBGZPJMESA-N 1 2 373.497 2.024 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCCN(c3cc(C)ccc3F)C2=O)C1=O ZINC000500017512 561564202 /nfs/dbraw/zinc/56/42/02/561564202.db2.gz JNBVOXVJIGYLKC-IRXDYDNUSA-N 1 2 359.445 2.348 20 30 FEEDLO C=CCN1CC[C@H]([N@H+](C)[C@H]2CCCN(c3cc(C)ccc3F)C2=O)C1=O ZINC000500017512 561564203 /nfs/dbraw/zinc/56/42/03/561564203.db2.gz JNBVOXVJIGYLKC-IRXDYDNUSA-N 1 2 359.445 2.348 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2coc(-c3ccc(C(=O)OC)cc3)n2)C1=O ZINC000500022588 561564387 /nfs/dbraw/zinc/56/43/87/561564387.db2.gz CQOMLJFLCYMGAL-KRWDZBQOSA-N 1 2 369.421 2.347 20 30 FEEDLO C=CCN1CC[C@H]([N@H+](C)Cc2coc(-c3ccc(C(=O)OC)cc3)n2)C1=O ZINC000500022588 561564388 /nfs/dbraw/zinc/56/43/88/561564388.db2.gz CQOMLJFLCYMGAL-KRWDZBQOSA-N 1 2 369.421 2.347 20 30 FEEDLO C=CC[N@@H+](Cc1ccc(COCCOC)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000289242411 552287762 /nfs/dbraw/zinc/28/77/62/552287762.db2.gz ZRGRZVOLRXZBNC-GOSISDBHSA-N 1 2 353.484 2.025 20 30 FEEDLO C=CC[N@H+](Cc1ccc(COCCOC)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000289242411 552287763 /nfs/dbraw/zinc/28/77/63/552287763.db2.gz ZRGRZVOLRXZBNC-GOSISDBHSA-N 1 2 353.484 2.025 20 30 FEEDLO Cc1nsc(N2CC[NH+](C[C@H](O)c3cccc([N+](=O)[O-])c3)CC2)c1C#N ZINC000289393678 552313869 /nfs/dbraw/zinc/31/38/69/552313869.db2.gz DULAMRVJSLXJJR-INIZCTEOSA-N 1 2 373.438 2.087 20 30 FEEDLO C=CCCCCNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000289620093 552351002 /nfs/dbraw/zinc/35/10/02/552351002.db2.gz LPHJIKWOMQJMLI-DLBZAZTESA-N 1 2 365.424 2.299 20 30 FEEDLO C=CCCCCNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000289620093 552351003 /nfs/dbraw/zinc/35/10/03/552351003.db2.gz LPHJIKWOMQJMLI-DLBZAZTESA-N 1 2 365.424 2.299 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@@H](COc3ccccc3)C2)nc1 ZINC000290069842 552423017 /nfs/dbraw/zinc/42/30/17/552423017.db2.gz VZCFFKPAPRRMIF-QGZVFWFLSA-N 1 2 371.462 2.128 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@@H](COc3ccccc3)C2)nc1 ZINC000290069842 552423018 /nfs/dbraw/zinc/42/30/18/552423018.db2.gz VZCFFKPAPRRMIF-QGZVFWFLSA-N 1 2 371.462 2.128 20 30 FEEDLO C=CC[N@@H+](CCc1ccco1)CCS(=O)(=O)CC(=O)OC(C)(C)C ZINC000290114365 552429657 /nfs/dbraw/zinc/42/96/57/552429657.db2.gz YLUNUDXVIBINIW-UHFFFAOYSA-N 1 2 357.472 2.067 20 30 FEEDLO C=CC[N@H+](CCc1ccco1)CCS(=O)(=O)CC(=O)OC(C)(C)C ZINC000290114365 552429658 /nfs/dbraw/zinc/42/96/58/552429658.db2.gz YLUNUDXVIBINIW-UHFFFAOYSA-N 1 2 357.472 2.067 20 30 FEEDLO CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(C#N)c(F)c2)c[nH+]1 ZINC000290141878 552434009 /nfs/dbraw/zinc/43/40/09/552434009.db2.gz BRLUKXUWOPAHPF-UHFFFAOYSA-N 1 2 369.400 2.193 20 30 FEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@](CO)(c2ccccc2)C1 ZINC000291378706 552620430 /nfs/dbraw/zinc/62/04/30/552620430.db2.gz ARLIGXBKXCBSLX-FPOVZHCZSA-N 1 2 350.418 2.408 20 30 FEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@](CO)(c2ccccc2)C1 ZINC000291378706 552620432 /nfs/dbraw/zinc/62/04/32/552620432.db2.gz ARLIGXBKXCBSLX-FPOVZHCZSA-N 1 2 350.418 2.408 20 30 FEEDLO Cc1oc(NC(=O)C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c(C#N)c1C ZINC000292347887 552718346 /nfs/dbraw/zinc/71/83/46/552718346.db2.gz XHDQXQUTNDSBPQ-OAHLLOKOSA-N 1 2 365.393 2.127 20 30 FEEDLO Cc1oc(NC(=O)C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c(C#N)c1C ZINC000292347887 552718347 /nfs/dbraw/zinc/71/83/47/552718347.db2.gz XHDQXQUTNDSBPQ-OAHLLOKOSA-N 1 2 365.393 2.127 20 30 FEEDLO C=CCC(C)(C)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000292742285 552754542 /nfs/dbraw/zinc/75/45/42/552754542.db2.gz JTMGHVUATXNKFG-MRXNPFEDSA-N 1 2 373.501 2.001 20 30 FEEDLO C=CCC(C)(C)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000292742285 552754543 /nfs/dbraw/zinc/75/45/43/552754543.db2.gz JTMGHVUATXNKFG-MRXNPFEDSA-N 1 2 373.501 2.001 20 30 FEEDLO N#C[C@H]1CC[C@@H]([NH+]2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)C1 ZINC000292952108 552774207 /nfs/dbraw/zinc/77/42/07/552774207.db2.gz BQMIOIJGKDZKHB-DZGCQCFKSA-N 1 2 353.875 2.339 20 30 FEEDLO C#CCC[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000293480983 552827872 /nfs/dbraw/zinc/82/78/72/552827872.db2.gz RWOLPNYDUBAJFU-UHFFFAOYSA-N 1 2 355.316 2.395 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCC([C@@H]3OCC[C@H]3NC(=O)C(F)(F)F)CC2)o1 ZINC000295038458 552953103 /nfs/dbraw/zinc/95/31/03/552953103.db2.gz ONLKDGUURSEDIP-CABCVRRESA-N 1 2 371.359 2.199 20 30 FEEDLO Cn1cc[nH+]c1[C@@H]1N(CCS(=O)(=O)c2ccc(C#N)cc2)CC1(C)C ZINC000295946222 553079604 /nfs/dbraw/zinc/07/96/04/553079604.db2.gz OMNNJLJREXZHNV-INIZCTEOSA-N 1 2 358.467 2.149 20 30 FEEDLO C=C(C)Cn1c([C@@H]2CCCO2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000296012156 553089257 /nfs/dbraw/zinc/08/92/57/553089257.db2.gz ONCMJPPXFPXONS-INIZCTEOSA-N 1 2 369.473 2.131 20 30 FEEDLO CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000502650327 561622736 /nfs/dbraw/zinc/62/27/36/561622736.db2.gz GCSIWRUTVNGWCG-LJQANCHMSA-N 1 2 356.426 2.255 20 30 FEEDLO Cc1cc(C(=O)NCc2ccc(N(C)C)[nH+]c2)nn1-c1cccc(C#N)c1 ZINC000502923883 561630087 /nfs/dbraw/zinc/63/00/87/561630087.db2.gz FQHRVUWIOHOWHO-UHFFFAOYSA-N 1 2 360.421 2.443 20 30 FEEDLO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N(C)Cc1[nH+]ccn1C ZINC000297871810 553350647 /nfs/dbraw/zinc/35/06/47/553350647.db2.gz PEXDEFPJCLXOOT-UHFFFAOYSA-N 1 2 366.874 2.308 20 30 FEEDLO COCCOc1ccc(C#N)cc1NC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000298009437 553370589 /nfs/dbraw/zinc/37/05/89/553370589.db2.gz SJMHZFJXXGHOBH-UHFFFAOYSA-N 1 2 367.396 2.499 20 30 FEEDLO C=C(C)CN(CC)C(=O)C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000298572040 553442507 /nfs/dbraw/zinc/44/25/07/553442507.db2.gz IXFMESDBZYTTBP-UHFFFAOYSA-N 1 2 356.426 2.325 20 30 FEEDLO COc1ccccc1C[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)C[C@H]1CCCO1 ZINC000298702254 553460482 /nfs/dbraw/zinc/46/04/82/553460482.db2.gz HOPFTHNDBBPWOE-WIYYLYMNSA-N 1 2 371.481 2.485 20 30 FEEDLO COc1ccccc1C[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)C[C@H]1CCCO1 ZINC000298702254 553460484 /nfs/dbraw/zinc/46/04/84/553460484.db2.gz HOPFTHNDBBPWOE-WIYYLYMNSA-N 1 2 371.481 2.485 20 30 FEEDLO CCOc1ccc(NC(=O)C[NH+]2CCN(c3ccc(C#N)cn3)CC2)cc1 ZINC000299056845 553509491 /nfs/dbraw/zinc/50/94/91/553509491.db2.gz MNOZECSFCWVENI-UHFFFAOYSA-N 1 2 365.437 2.113 20 30 FEEDLO C#C[C@H](NC(=O)C(=O)Nc1ccccc1OCCn1cc[nH+]c1)C(C)(C)C ZINC000299188256 553527220 /nfs/dbraw/zinc/52/72/20/553527220.db2.gz CFJQNVJAKGORMW-KRWDZBQOSA-N 1 2 368.437 2.065 20 30 FEEDLO Cc1[nH][nH]c(=NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@@]23CCOC3)c1C#N ZINC000602191793 553536442 /nfs/dbraw/zinc/53/64/42/553536442.db2.gz ZWAXZNMSYNTEJR-FXAWDEMLSA-N 1 2 365.437 2.067 20 30 FEEDLO Cc1[nH][nH]c(=NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@]23CCOC3)c1C#N ZINC000602191793 553536443 /nfs/dbraw/zinc/53/64/43/553536443.db2.gz ZWAXZNMSYNTEJR-FXAWDEMLSA-N 1 2 365.437 2.067 20 30 FEEDLO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(c2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000301210190 553631165 /nfs/dbraw/zinc/63/11/65/553631165.db2.gz ULYDGWZEZLGNSH-CQSZACIVSA-N 1 2 371.441 2.036 20 30 FEEDLO C=CCCc1ccccc1NC(=O)C(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000505583421 561674492 /nfs/dbraw/zinc/67/44/92/561674492.db2.gz BOVXWXOTADAVTG-UHFFFAOYSA-N 1 2 373.497 2.313 20 30 FEEDLO CC(C)(C(=O)NCc1ccc([C@@]2(C)NC(=O)NC2=O)cc1)[NH+]1CCOCC1 ZINC000328699866 553809331 /nfs/dbraw/zinc/80/93/31/553809331.db2.gz VWFPXVFCFKRBBK-LJQANCHMSA-N 1 2 374.441 2.353 20 30 FEEDLO CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000328963968 553854337 /nfs/dbraw/zinc/85/43/37/553854337.db2.gz LQDPPDQBTSDGKH-BEFAXECRSA-N 1 2 359.470 2.200 20 30 FEEDLO N#C[C@@H]1N(C(=O)c2cc(-n3cc[nH+]c3)ccn2)CCC[C@]12CCCCO2 ZINC000328977333 553857365 /nfs/dbraw/zinc/85/73/65/553857365.db2.gz BZBMRWZUGKETCI-PKOBYXMFSA-N 1 2 351.410 2.335 20 30 FEEDLO Cn1cc(C[NH+]2CCN(C(=O)N[C@@H]3CCO[C@@H](C(C)(C)C)C3)CC2)cn1 ZINC000328983800 553858459 /nfs/dbraw/zinc/85/84/59/553858459.db2.gz ZAMIVWMRXTYGQT-IAGOWNOFSA-N 1 2 363.506 2.045 20 30 FEEDLO CO[C@@H]1CCC[C@H]1[C@H]1COCC[N@@H+]1CC(=O)Nc1c(C)nn(C)c1C ZINC000328985502 553859105 /nfs/dbraw/zinc/85/91/05/553859105.db2.gz TYGAUVPOLQCEGF-ARFHVFGLSA-N 1 2 350.463 2.141 20 30 FEEDLO CO[C@@H]1CCC[C@H]1[C@H]1COCC[N@H+]1CC(=O)Nc1c(C)nn(C)c1C ZINC000328985502 553859106 /nfs/dbraw/zinc/85/91/06/553859106.db2.gz TYGAUVPOLQCEGF-ARFHVFGLSA-N 1 2 350.463 2.141 20 30 FEEDLO O=C(C[N@@H+]1CCO[C@]2(CCCOC2)C1)NCCc1c(F)cccc1F ZINC000329087886 553877902 /nfs/dbraw/zinc/87/79/02/553877902.db2.gz VMXUBEKTLNZYPS-GOSISDBHSA-N 1 2 354.397 2.345 20 30 FEEDLO O=C(C[N@H+]1CCO[C@]2(CCCOC2)C1)NCCc1c(F)cccc1F ZINC000329087886 553877904 /nfs/dbraw/zinc/87/79/04/553877904.db2.gz VMXUBEKTLNZYPS-GOSISDBHSA-N 1 2 354.397 2.345 20 30 FEEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)N[C@H]1CCO[C@@H]1c1cccnc1)CCC2 ZINC000329099207 553880148 /nfs/dbraw/zinc/88/01/48/553880148.db2.gz ZACZKWXWLRYCQG-IXDOHACOSA-N 1 2 355.442 2.498 20 30 FEEDLO Cc1ncc(C[NH+]2CCN(C(=O)NCC3(C)CCOCC3)CC2)s1 ZINC000329144213 553888418 /nfs/dbraw/zinc/88/84/18/553888418.db2.gz WDLSLGXFENLTRI-UHFFFAOYSA-N 1 2 352.504 2.300 20 30 FEEDLO O=C(Nc1cccc(C[NH+]2CCC(O)CC2)c1)[C@@H]1CCc2nn[nH]c2C1 ZINC000329166181 553893485 /nfs/dbraw/zinc/89/34/85/553893485.db2.gz HYGKHNFEWMBKKN-CQSZACIVSA-N 1 2 355.442 2.155 20 30 FEEDLO C[N@H+](CC(=O)Nc1cc2c(cc1Cl)OCCCO2)[C@@]1(CO)CCOC1 ZINC000329286540 553917747 /nfs/dbraw/zinc/91/77/47/553917747.db2.gz GXOMHIZLTPCPEJ-QGZVFWFLSA-N 1 2 370.833 2.173 20 30 FEEDLO C[N@@H+](CC(=O)Nc1cc2c(cc1Cl)OCCCO2)[C@@]1(CO)CCOC1 ZINC000329286540 553917750 /nfs/dbraw/zinc/91/77/50/553917750.db2.gz GXOMHIZLTPCPEJ-QGZVFWFLSA-N 1 2 370.833 2.173 20 30 FEEDLO Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000329383606 553935565 /nfs/dbraw/zinc/93/55/65/553935565.db2.gz RFCXQZZWBZCKMB-SFHVURJKSA-N 1 2 373.476 2.373 20 30 FEEDLO Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000329383606 553935568 /nfs/dbraw/zinc/93/55/68/553935568.db2.gz RFCXQZZWBZCKMB-SFHVURJKSA-N 1 2 373.476 2.373 20 30 FEEDLO COc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000329403642 553939856 /nfs/dbraw/zinc/93/98/56/553939856.db2.gz CEJZYHBFQOFFTR-JSGCOSHPSA-N 1 2 353.850 2.342 20 30 FEEDLO COc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000329403642 553939858 /nfs/dbraw/zinc/93/98/58/553939858.db2.gz CEJZYHBFQOFFTR-JSGCOSHPSA-N 1 2 353.850 2.342 20 30 FEEDLO Cc1nc(N2CCN(C(=O)Nc3cnc4c(c3)CCCC4)CC2)cc[nH+]1 ZINC000329443823 553948069 /nfs/dbraw/zinc/94/80/69/553948069.db2.gz CAOMSAYGMWGGPK-UHFFFAOYSA-N 1 2 352.442 2.427 20 30 FEEDLO Cn1cc[nH+]c1[C@H](NC(=O)C(=O)Nc1ccc(C#N)cc1Cl)C1CC1 ZINC000507386776 561727772 /nfs/dbraw/zinc/72/77/72/561727772.db2.gz WIEJENPAPXQFGD-CQSZACIVSA-N 1 2 357.801 2.151 20 30 FEEDLO C[C@@H]1CCCC[C@@H]1NC(=O)NC[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000329913007 554029615 /nfs/dbraw/zinc/02/96/15/554029615.db2.gz ONEHOAKXDPJUCU-UGUYLWEFSA-N 1 2 351.470 2.415 20 30 FEEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)c3cccc(Nc4ccc(C#N)cc4)c3)C[C@H]21 ZINC000329913394 554030334 /nfs/dbraw/zinc/03/03/34/554030334.db2.gz BSNPGSODPKXXAH-UXHICEINSA-N 1 2 362.433 2.457 20 30 FEEDLO C[N@H+]1CCO[C@H]2CN(C(=O)c3cccc(Nc4ccc(C#N)cc4)c3)C[C@H]21 ZINC000329913394 554030336 /nfs/dbraw/zinc/03/03/36/554030336.db2.gz BSNPGSODPKXXAH-UXHICEINSA-N 1 2 362.433 2.457 20 30 FEEDLO C[C@H]1C[N@H+](CC(=O)NC(=O)Nc2ccc3c(c2)OCO3)C[C@H](C2CC2)O1 ZINC000329929012 554033349 /nfs/dbraw/zinc/03/33/49/554033349.db2.gz YKQIYPXNUATTLW-MEDUHNTESA-N 1 2 361.398 2.417 20 30 FEEDLO C[C@H]1C[N@@H+](CC(=O)NC(=O)Nc2ccc3c(c2)OCO3)C[C@H](C2CC2)O1 ZINC000329929012 554033351 /nfs/dbraw/zinc/03/33/51/554033351.db2.gz YKQIYPXNUATTLW-MEDUHNTESA-N 1 2 361.398 2.417 20 30 FEEDLO CC(C)[C@H](NC(=O)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1)c1nc2ccccc2[nH]1 ZINC000329938927 554035650 /nfs/dbraw/zinc/03/56/50/554035650.db2.gz SVLRHDKZEBFDNM-ULQDDVLXSA-N 1 2 357.458 2.189 20 30 FEEDLO CC(C)[C@H](NC(=O)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1)c1nc2ccccc2[nH]1 ZINC000329938927 554035652 /nfs/dbraw/zinc/03/56/52/554035652.db2.gz SVLRHDKZEBFDNM-ULQDDVLXSA-N 1 2 357.458 2.189 20 30 FEEDLO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)NC[C@@H]1COc2ccccc2O1 ZINC000329941688 554036258 /nfs/dbraw/zinc/03/62/58/554036258.db2.gz VEUBPYTZNMQFID-JKSUJKDBSA-N 1 2 356.426 2.410 20 30 FEEDLO O=C(NCc1ccc(N2CCCCC2)[nH+]c1)[C@H]1COCCN1CC(F)F ZINC000329952177 554038206 /nfs/dbraw/zinc/03/82/06/554038206.db2.gz IQZCVISJFJRCBL-OAHLLOKOSA-N 1 2 368.428 2.494 20 30 FEEDLO [O-]C(NCCc1csc(N2CCCC2)n1)=[NH+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000329960092 554039107 /nfs/dbraw/zinc/03/91/07/554039107.db2.gz QWWUYGDFZKTKLN-AWEZNQCLSA-N 1 2 374.514 2.249 20 30 FEEDLO O=C(NCCc1csc(N2CCCC2)n1)NC[C@@H]1CCc2[nH+]ccn2C1 ZINC000329960092 554039109 /nfs/dbraw/zinc/03/91/09/554039109.db2.gz QWWUYGDFZKTKLN-AWEZNQCLSA-N 1 2 374.514 2.249 20 30 FEEDLO [O-]C(NC[C@@H]1CCc2[nH+]ccn2C1)=[NH+]CCc1csc(N2CCCC2)n1 ZINC000329960092 554039111 /nfs/dbraw/zinc/03/91/11/554039111.db2.gz QWWUYGDFZKTKLN-AWEZNQCLSA-N 1 2 374.514 2.249 20 30 FEEDLO CCO[C@@H]1C[C@H](NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)C12CCOCC2 ZINC000329966191 554040551 /nfs/dbraw/zinc/04/05/51/554040551.db2.gz RRQYNZCPWAKPLQ-OWCLPIDISA-N 1 2 362.474 2.477 20 30 FEEDLO Cn1cc[nH+]c1[C@@H]1CN(CC(=O)N[C@@H]2CCOc3ccccc32)CCN1C ZINC000329967381 554041001 /nfs/dbraw/zinc/04/10/01/554041001.db2.gz WESLOAFSLMAAGX-SJORKVTESA-N 1 2 369.469 2.189 20 30 FEEDLO C[C@H](NC(=O)N1CCN(C)[C@@H](c2[nH+]ccn2C)C1)c1ccc2c(c1)OCO2 ZINC000329984545 554043868 /nfs/dbraw/zinc/04/38/68/554043868.db2.gz CKDCEAKWDQXQDJ-DZGCQCFKSA-N 1 2 371.441 2.113 20 30 FEEDLO O=C(NCc1ccn2cc[nH+]c2c1)N1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000330027468 554052078 /nfs/dbraw/zinc/05/20/78/554052078.db2.gz NDXCJJNCOXTSDQ-MRXNPFEDSA-N 1 2 355.442 2.083 20 30 FEEDLO Cc1cccn2cc(CNC(=O)[C@@H](C)S(=O)(=O)C3CCOCC3)[nH+]c12 ZINC000330043708 554054100 /nfs/dbraw/zinc/05/41/00/554054100.db2.gz ANINJZLONREGHB-CYBMUJFWSA-N 1 2 365.455 2.082 20 30 FEEDLO CC(C)c1ccc(C[NH+]2CCN(C(=O)[C@@H](C)n3cnc(C#N)n3)CC2)cc1 ZINC000507523105 561731812 /nfs/dbraw/zinc/73/18/12/561731812.db2.gz BNJQTXUJIMXTAA-MRXNPFEDSA-N 1 2 366.469 2.179 20 30 FEEDLO CC(C)c1ccc(C[NH+]2CCN(C(=O)[C@H](C)n3cnc(C#N)n3)CC2)cc1 ZINC000507523104 561731894 /nfs/dbraw/zinc/73/18/94/561731894.db2.gz BNJQTXUJIMXTAA-INIZCTEOSA-N 1 2 366.469 2.179 20 30 FEEDLO Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@@H+]1C[C@H](C)O[C@@]2(CCCOC2)C1 ZINC000330098090 554063729 /nfs/dbraw/zinc/06/37/29/554063729.db2.gz BLLNYJNBRFJWNG-QITLCBANSA-N 1 2 350.463 2.283 20 30 FEEDLO Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@H+]1C[C@H](C)O[C@@]2(CCCOC2)C1 ZINC000330098090 554063731 /nfs/dbraw/zinc/06/37/31/554063731.db2.gz BLLNYJNBRFJWNG-QITLCBANSA-N 1 2 350.463 2.283 20 30 FEEDLO C[C@@H]1CN(CC(=O)Nc2nc(C[NH+]3CCCC3)cs2)C[C@H](C)[S@@]1=O ZINC000330123332 554068885 /nfs/dbraw/zinc/06/88/85/554068885.db2.gz KTUAAKUAOJDNJX-AHZSZHTNSA-N 1 2 370.544 2.168 20 30 FEEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)N[C@@H]3CC(C)(C)Oc4cc(F)ccc43)C[C@H]21 ZINC000330158991 554075731 /nfs/dbraw/zinc/07/57/31/554075731.db2.gz QMZLHUUHACQFNU-BFYDXBDKSA-N 1 2 363.433 2.357 20 30 FEEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)N[C@@H]3CC(C)(C)Oc4cc(F)ccc43)C[C@H]21 ZINC000330158991 554075736 /nfs/dbraw/zinc/07/57/36/554075736.db2.gz QMZLHUUHACQFNU-BFYDXBDKSA-N 1 2 363.433 2.357 20 30 FEEDLO CC[C@@H]1C[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C[C@]2(CCOC2)O1 ZINC000330166925 554077450 /nfs/dbraw/zinc/07/74/50/554077450.db2.gz YLYQMYDIKIRYLB-APWZRJJASA-N 1 2 354.410 2.378 20 30 FEEDLO CC[C@@H]1C[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C[C@]2(CCOC2)O1 ZINC000330166925 554077452 /nfs/dbraw/zinc/07/74/52/554077452.db2.gz YLYQMYDIKIRYLB-APWZRJJASA-N 1 2 354.410 2.378 20 30 FEEDLO CC(C)(CNC(=O)N(C[C@@H]1CCCO1)C1CCCC1)[NH+]1CCOCC1 ZINC000330211605 554086315 /nfs/dbraw/zinc/08/63/15/554086315.db2.gz JKEILGNNROSWHD-KRWDZBQOSA-N 1 2 353.507 2.435 20 30 FEEDLO C=C(C)CN(Cc1ccc(CO)o1)C(=O)C(=O)Nc1ccc(C)[nH+]c1C ZINC000507798211 561741088 /nfs/dbraw/zinc/74/10/88/561741088.db2.gz QJFBEEZJXOPDID-UHFFFAOYSA-N 1 2 357.410 2.327 20 30 FEEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)c2cnc3c(c2)NC(=O)CO3)CCO1 ZINC000330331167 554106562 /nfs/dbraw/zinc/10/65/62/554106562.db2.gz NWTPYFOKQRPICG-RISCZKNCSA-N 1 2 357.370 2.020 20 30 FEEDLO Cn1cc(C(=O)NC2CCN(c3cccc[nH+]3)CC2)c([C@@H]2CCOC2)n1 ZINC000330337182 554107394 /nfs/dbraw/zinc/10/73/94/554107394.db2.gz TVKNIFMBWCUHMR-CQSZACIVSA-N 1 2 355.442 2.293 20 30 FEEDLO COc1ccc(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)cc1Br ZINC000330619035 554146396 /nfs/dbraw/zinc/14/63/96/554146396.db2.gz IAWZWMOPVPUXDS-NSHDSACASA-N 1 2 357.248 2.483 20 30 FEEDLO COc1ccc(C(=O)NCC[N@H+]2CCOC[C@@H]2C)cc1Br ZINC000330619035 554146397 /nfs/dbraw/zinc/14/63/97/554146397.db2.gz IAWZWMOPVPUXDS-NSHDSACASA-N 1 2 357.248 2.483 20 30 FEEDLO CC(C)CNC(=O)N1CCC[C@@H](C(=O)NCc2ccc(N(C)C)[nH+]c2)C1 ZINC000330902769 554185811 /nfs/dbraw/zinc/18/58/11/554185811.db2.gz LFXVAAYHEYGHOM-MRXNPFEDSA-N 1 2 361.490 2.046 20 30 FEEDLO C=CCn1c(-c2ccc(C)s2)nnc1N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000508474987 561763220 /nfs/dbraw/zinc/76/32/20/561763220.db2.gz XGMFICNYIKXBQU-OAHLLOKOSA-N 1 2 359.499 2.412 20 30 FEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000331730377 554317315 /nfs/dbraw/zinc/31/73/15/554317315.db2.gz OZSZROSVRFHWHW-ROUUACIJSA-N 1 2 355.438 2.107 20 30 FEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000331730377 554317317 /nfs/dbraw/zinc/31/73/17/554317317.db2.gz OZSZROSVRFHWHW-ROUUACIJSA-N 1 2 355.438 2.107 20 30 FEEDLO CC[C@H]1CN(S(=O)(=O)N(C)[C@@H](C)CC#N)CC[N@@H+]1Cc1ccccc1 ZINC000509299573 561794420 /nfs/dbraw/zinc/79/44/20/561794420.db2.gz ZREPNYLGDCEOBA-WMZOPIPTSA-N 1 2 364.515 2.062 20 30 FEEDLO CC[C@H]1CN(S(=O)(=O)N(C)[C@@H](C)CC#N)CC[N@H+]1Cc1ccccc1 ZINC000509299573 561794422 /nfs/dbraw/zinc/79/44/22/561794422.db2.gz ZREPNYLGDCEOBA-WMZOPIPTSA-N 1 2 364.515 2.062 20 30 FEEDLO CCn1cc[nH+]c1[C@H]1CCCCN1S(=O)(=O)c1cnc(C)c(C#N)c1 ZINC000331964548 554353889 /nfs/dbraw/zinc/35/38/89/554353889.db2.gz VNRSGPVSLSYNNZ-MRXNPFEDSA-N 1 2 359.455 2.394 20 30 FEEDLO C[N@H+](Cc1ccccc1)C1CN(S(=O)(=O)c2ccc(F)c(C#N)c2)C1 ZINC000510549211 561838659 /nfs/dbraw/zinc/83/86/59/561838659.db2.gz CHSPHQQDCZGPFY-UHFFFAOYSA-N 1 2 359.426 2.202 20 30 FEEDLO C[N@@H+](Cc1ccccc1)C1CN(S(=O)(=O)c2ccc(F)c(C#N)c2)C1 ZINC000510549211 561838660 /nfs/dbraw/zinc/83/86/60/561838660.db2.gz CHSPHQQDCZGPFY-UHFFFAOYSA-N 1 2 359.426 2.202 20 30 FEEDLO N#Cc1cccc(-c2nnc(C[N@H+]3CCCN(C(=O)C4CC4)CC3)o2)c1 ZINC000333318891 554602084 /nfs/dbraw/zinc/60/20/84/554602084.db2.gz KUGBVUIOHFPKRX-UHFFFAOYSA-N 1 2 351.410 2.053 20 30 FEEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3CCCN(C(=O)C4CC4)CC3)o2)c1 ZINC000333318891 554602085 /nfs/dbraw/zinc/60/20/85/554602085.db2.gz KUGBVUIOHFPKRX-UHFFFAOYSA-N 1 2 351.410 2.053 20 30 FEEDLO Cc1cc(NC(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)c(C#N)cc1N(C)C ZINC000334086413 554676519 /nfs/dbraw/zinc/67/65/19/554676519.db2.gz MSJYNDQAWBRJJO-LSDHHAIUSA-N 1 2 359.474 2.163 20 30 FEEDLO Cc1oc(NC(=O)C[NH+]2CCC(NC(=O)C3CCC3)CC2)c(C#N)c1C ZINC000363643547 555153308 /nfs/dbraw/zinc/15/33/08/555153308.db2.gz QZGAJBIRLIQSCH-UHFFFAOYSA-N 1 2 358.442 2.087 20 30 FEEDLO C=CCCCCCN(C)C(=O)NC[C@@]1([NH+]2CCOCC2)CCCOC1 ZINC000363808872 555190482 /nfs/dbraw/zinc/19/04/82/555190482.db2.gz AUYLHNBMAPPOEL-IBGZPJMESA-N 1 2 353.507 2.256 20 30 FEEDLO N#Cc1ccc(N2CCC3(CC2)NC(=O)C2(CCCCC2)[NH2+]3)c([N+](=O)[O-])c1 ZINC000364016674 555233764 /nfs/dbraw/zinc/23/37/64/555233764.db2.gz JXEFVFYGIZZVJL-UHFFFAOYSA-N 1 2 369.425 2.185 20 30 FEEDLO N#CC1(NC(=O)C[N@H+]2CCCN(Cc3ccc(Cl)cc3)CC2)CCC1 ZINC000364135079 555256629 /nfs/dbraw/zinc/25/66/29/555256629.db2.gz ISUCAWSDJDAIPO-UHFFFAOYSA-N 1 2 360.889 2.410 20 30 FEEDLO N#CC1(NC(=O)C[N@@H+]2CCCN(Cc3ccc(Cl)cc3)CC2)CCC1 ZINC000364135079 555256630 /nfs/dbraw/zinc/25/66/30/555256630.db2.gz ISUCAWSDJDAIPO-UHFFFAOYSA-N 1 2 360.889 2.410 20 30 FEEDLO N#C[C@H]1CN(C(=O)Cc2cn3ccccc3[nH+]2)CCN1Cc1ccccc1 ZINC000364771133 555398248 /nfs/dbraw/zinc/39/82/48/555398248.db2.gz STEWYTHJCIOXML-IBGZPJMESA-N 1 2 359.433 2.113 20 30 FEEDLO C=C(C)[C@H]1OCCC[C@H]1C(=O)N1CCCN(Cc2[nH+]ccn2CC)CC1 ZINC000364804132 555407142 /nfs/dbraw/zinc/40/71/42/555407142.db2.gz GPVNYDRDDDILFV-IEBWSBKVSA-N 1 2 360.502 2.309 20 30 FEEDLO C=C(C)[C@H]1OCCC[C@H]1C(=O)N1CCC[N@@H+](Cc2nccn2CC)CC1 ZINC000364804132 555407144 /nfs/dbraw/zinc/40/71/44/555407144.db2.gz GPVNYDRDDDILFV-IEBWSBKVSA-N 1 2 360.502 2.309 20 30 FEEDLO C=C(C)[C@H]1OCCC[C@H]1C(=O)N1CCC[N@H+](Cc2nccn2CC)CC1 ZINC000364804132 555407147 /nfs/dbraw/zinc/40/71/47/555407147.db2.gz GPVNYDRDDDILFV-IEBWSBKVSA-N 1 2 360.502 2.309 20 30 FEEDLO C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)NCC(C)(C)C#N ZINC000512787782 561915269 /nfs/dbraw/zinc/91/52/69/561915269.db2.gz LMDVXYRGABGKCP-QGZVFWFLSA-N 1 2 358.486 2.469 20 30 FEEDLO Cc1ccn(C2CC[NH+](CCS(=O)(=O)c3ccc(C#N)cc3)CC2)n1 ZINC000365001839 555461836 /nfs/dbraw/zinc/46/18/36/555461836.db2.gz UEEJDBUETOUUEM-UHFFFAOYSA-N 1 2 358.467 2.174 20 30 FEEDLO C#CCNC(=O)C1CCN(C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)CC1 ZINC000365414671 555568694 /nfs/dbraw/zinc/56/86/94/555568694.db2.gz MEGJDBPVECEKFC-UHFFFAOYSA-N 1 2 365.437 2.080 20 30 FEEDLO C#Cc1cccc(NC(=O)CNC(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)c1 ZINC000365582061 555614949 /nfs/dbraw/zinc/61/49/49/555614949.db2.gz UOCGEOUDEDSDLQ-HNNXBMFYSA-N 1 2 364.449 2.374 20 30 FEEDLO C#Cc1cccc(NC(=O)CNC(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)c1 ZINC000365582061 555614950 /nfs/dbraw/zinc/61/49/50/555614950.db2.gz UOCGEOUDEDSDLQ-HNNXBMFYSA-N 1 2 364.449 2.374 20 30 FEEDLO Cc1sc(NC(=O)C[N@@H+]2CCC[C@@H](c3ccnc(N)n3)C2)c(C#N)c1C ZINC000365997627 555722723 /nfs/dbraw/zinc/72/27/23/555722723.db2.gz ATFDYIUOJKPHOQ-CYBMUJFWSA-N 1 2 370.482 2.427 20 30 FEEDLO Cc1sc(NC(=O)C[N@H+]2CCC[C@@H](c3ccnc(N)n3)C2)c(C#N)c1C ZINC000365997627 555722724 /nfs/dbraw/zinc/72/27/24/555722724.db2.gz ATFDYIUOJKPHOQ-CYBMUJFWSA-N 1 2 370.482 2.427 20 30 FEEDLO N#Cc1ccc(Cn2cnc(NC(=O)[C@H]3CC[N@@H+]3Cc3ccccc3)n2)cc1 ZINC000366505799 555862460 /nfs/dbraw/zinc/86/24/60/555862460.db2.gz LSAWKEHGKDPYLL-LJQANCHMSA-N 1 2 372.432 2.411 20 30 FEEDLO N#Cc1ccc(Cn2cnc(NC(=O)[C@H]3CC[N@H+]3Cc3ccccc3)n2)cc1 ZINC000366505799 555862463 /nfs/dbraw/zinc/86/24/63/555862463.db2.gz LSAWKEHGKDPYLL-LJQANCHMSA-N 1 2 372.432 2.411 20 30 FEEDLO CC[C@@H]1C[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C[C@@]2(CCOC2)O1 ZINC000366579858 555881887 /nfs/dbraw/zinc/88/18/87/555881887.db2.gz XAXNXWIADJJJOR-VQIMIIECSA-N 1 2 354.410 2.378 20 30 FEEDLO CC[C@@H]1C[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C[C@@]2(CCOC2)O1 ZINC000366579858 555881888 /nfs/dbraw/zinc/88/18/88/555881888.db2.gz XAXNXWIADJJJOR-VQIMIIECSA-N 1 2 354.410 2.378 20 30 FEEDLO C#Cc1ccc(C[N@H+]2CCCN(S(=O)(=O)c3c(C)noc3C)CC2)cc1 ZINC000367316588 556016536 /nfs/dbraw/zinc/01/65/36/556016536.db2.gz DQEHFKGSYVRNHU-UHFFFAOYSA-N 1 2 373.478 2.169 20 30 FEEDLO C#Cc1ccc(C[N@@H+]2CCCN(S(=O)(=O)c3c(C)noc3C)CC2)cc1 ZINC000367316588 556016539 /nfs/dbraw/zinc/01/65/39/556016539.db2.gz DQEHFKGSYVRNHU-UHFFFAOYSA-N 1 2 373.478 2.169 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@H](c3ccc(F)cc3)C2)nc1 ZINC000367357271 556027007 /nfs/dbraw/zinc/02/70/07/556027007.db2.gz WDPHQJJBZNJEEI-INIZCTEOSA-N 1 2 359.426 2.356 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@H](c3ccc(F)cc3)C2)nc1 ZINC000367357271 556027009 /nfs/dbraw/zinc/02/70/09/556027009.db2.gz WDPHQJJBZNJEEI-INIZCTEOSA-N 1 2 359.426 2.356 20 30 FEEDLO Cc1cccc([C@H]2CCC[N@@H+]2CCS(=O)(=O)c2ccc(C#N)cn2)n1 ZINC000367369645 556030139 /nfs/dbraw/zinc/03/01/39/556030139.db2.gz GGGNCMXVVGFHPJ-QGZVFWFLSA-N 1 2 356.451 2.268 20 30 FEEDLO Cc1cccc([C@H]2CCC[N@H+]2CCS(=O)(=O)c2ccc(C#N)cn2)n1 ZINC000367369645 556030141 /nfs/dbraw/zinc/03/01/41/556030141.db2.gz GGGNCMXVVGFHPJ-QGZVFWFLSA-N 1 2 356.451 2.268 20 30 FEEDLO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@]23CCNC3=O)ccc1Cl ZINC000514795841 561980266 /nfs/dbraw/zinc/98/02/66/561980266.db2.gz FJYOGQPSMODPCZ-IBGZPJMESA-N 1 2 374.872 2.250 20 30 FEEDLO Cc1cc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@]23CCNC3=O)ccc1Cl ZINC000514795841 561980267 /nfs/dbraw/zinc/98/02/67/561980267.db2.gz FJYOGQPSMODPCZ-IBGZPJMESA-N 1 2 374.872 2.250 20 30 FEEDLO CC[N@H+](CC(=O)N1CCCCCC1)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000367629410 556100945 /nfs/dbraw/zinc/10/09/45/556100945.db2.gz YLAMRSPVMYMVNK-MRXNPFEDSA-N 1 2 374.510 2.450 20 30 FEEDLO CC[N@@H+](CC(=O)N1CCCCCC1)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000367629410 556100946 /nfs/dbraw/zinc/10/09/46/556100946.db2.gz YLAMRSPVMYMVNK-MRXNPFEDSA-N 1 2 374.510 2.450 20 30 FEEDLO CN(C(=O)C[NH+]1CCN(c2ccc(F)cn2)CC1)C1(C#N)CCCCC1 ZINC000367724970 556124257 /nfs/dbraw/zinc/12/42/57/556124257.db2.gz QNSJVDGROLMBIL-UHFFFAOYSA-N 1 2 359.449 2.028 20 30 FEEDLO CCCC[N@@H+]1CCOC[C@@H]1C(=O)NCc1nc(-c2cccc(C#N)c2)c[nH]1 ZINC000367918252 556172321 /nfs/dbraw/zinc/17/23/21/556172321.db2.gz WSNKKWKTMCJSFU-GOSISDBHSA-N 1 2 367.453 2.065 20 30 FEEDLO CCCC[N@H+]1CCOC[C@@H]1C(=O)NCc1nc(-c2cccc(C#N)c2)c[nH]1 ZINC000367918252 556172323 /nfs/dbraw/zinc/17/23/23/556172323.db2.gz WSNKKWKTMCJSFU-GOSISDBHSA-N 1 2 367.453 2.065 20 30 FEEDLO N#Cc1ccc(N2CCC([NH2+][C@@H](c3nnc[nH]3)c3ccccc3)CC2)nc1 ZINC000367994151 556190353 /nfs/dbraw/zinc/19/03/53/556190353.db2.gz QAPMAGSGNOAGRO-LJQANCHMSA-N 1 2 359.437 2.419 20 30 FEEDLO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000368365268 556288573 /nfs/dbraw/zinc/28/85/73/556288573.db2.gz ZTTHVPVHFKUIGE-SFHVURJKSA-N 1 2 374.441 2.156 20 30 FEEDLO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000368365268 556288577 /nfs/dbraw/zinc/28/85/77/556288577.db2.gz ZTTHVPVHFKUIGE-SFHVURJKSA-N 1 2 374.441 2.156 20 30 FEEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@H](c2ccnc(N)n2)C1 ZINC000368454780 556314867 /nfs/dbraw/zinc/31/48/67/556314867.db2.gz MCPHVCGLGUSBTL-ZDUSSCGKSA-N 1 2 370.844 2.402 20 30 FEEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@H](c2ccnc(N)n2)C1 ZINC000368454780 556314869 /nfs/dbraw/zinc/31/48/69/556314869.db2.gz MCPHVCGLGUSBTL-ZDUSSCGKSA-N 1 2 370.844 2.402 20 30 FEEDLO C[C@H]1CCCN(c2cc(N3CCC(n4cnc(C#N)n4)CC3)[nH+]cn2)C1 ZINC000369528620 556621214 /nfs/dbraw/zinc/62/12/14/556621214.db2.gz BPSRXQAISGZVDM-AWEZNQCLSA-N 1 2 352.446 2.018 20 30 FEEDLO C[C@H]1CCCN(c2cc(N3CCC(n4cnc(C#N)n4)CC3)nc[nH+]2)C1 ZINC000369528620 556621217 /nfs/dbraw/zinc/62/12/17/556621217.db2.gz BPSRXQAISGZVDM-AWEZNQCLSA-N 1 2 352.446 2.018 20 30 FEEDLO COc1ccc(-c2noc(C[NH+]3CCC(n4cnc(C#N)n4)CC3)n2)cc1 ZINC000369729301 556679316 /nfs/dbraw/zinc/67/93/16/556679316.db2.gz IZUMKEKOPNGNQH-UHFFFAOYSA-N 1 2 365.397 2.045 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000516462463 562043577 /nfs/dbraw/zinc/04/35/77/562043577.db2.gz YBWCVHAEQONDTE-UHFFFAOYSA-N 1 2 363.417 2.174 20 30 FEEDLO Cn1cc[nH+]c1CN1CCCN(C(=O)c2cccc(SCC#N)c2)CC1 ZINC000370217806 556813908 /nfs/dbraw/zinc/81/39/08/556813908.db2.gz BMXWCKMLBORTBT-UHFFFAOYSA-N 1 2 369.494 2.384 20 30 FEEDLO Cn1cc[nH+]c1-c1cccc(CNC(=O)C(=O)Nc2ccc(CC#N)cc2)c1 ZINC000371394689 557172399 /nfs/dbraw/zinc/17/23/99/557172399.db2.gz BPYJHASLIOMXRA-UHFFFAOYSA-N 1 2 373.416 2.408 20 30 FEEDLO COc1cc(CNc2cc(N3CCC[C@H](CO)C3)nc[nH+]2)ccc1C#N ZINC000517636556 562094191 /nfs/dbraw/zinc/09/41/91/562094191.db2.gz JYQSOPFNWNJIPM-HNNXBMFYSA-N 1 2 353.426 2.178 20 30 FEEDLO COc1cc(CNc2cc(N3CCC[C@H](CO)C3)[nH+]cn2)ccc1C#N ZINC000517636556 562094192 /nfs/dbraw/zinc/09/41/92/562094192.db2.gz JYQSOPFNWNJIPM-HNNXBMFYSA-N 1 2 353.426 2.178 20 30 FEEDLO Cn1cc[nH+]c1[C@H](NC(=O)N=c1ccn(CCC#N)[nH]1)c1ccccc1F ZINC000371792320 557295145 /nfs/dbraw/zinc/29/51/45/557295145.db2.gz JGMBSGZTGZWYDV-MRXNPFEDSA-N 1 2 367.388 2.580 20 30 FEEDLO C#CCNC(=O)C1CC[NH+](Cc2noc(-c3cccc(Cl)c3)n2)CC1 ZINC000371896408 557323549 /nfs/dbraw/zinc/32/35/49/557323549.db2.gz UCQOUEDDHHMNEN-UHFFFAOYSA-N 1 2 358.829 2.351 20 30 FEEDLO C=CCOc1cccc(NC(=O)C(=O)NC[C@@H]2CCCn3cc(C)[nH+]c32)c1 ZINC000372222391 557413590 /nfs/dbraw/zinc/41/35/90/557413590.db2.gz BJSAQAIQPZBPBS-HNNXBMFYSA-N 1 2 368.437 2.389 20 30 FEEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)C(=O)Nc1cccc(C#N)c1C)CCC2 ZINC000372223758 557414127 /nfs/dbraw/zinc/41/41/27/557414127.db2.gz MCYFPCPYKHOVIY-OAHLLOKOSA-N 1 2 351.410 2.004 20 30 FEEDLO C=CC[C@H](C(=O)NC[C@@]1([NH+]2CCOCC2)CCCOC1)c1ccccc1 ZINC000372294101 557431674 /nfs/dbraw/zinc/43/16/74/557431674.db2.gz IDJRBOXKPAGIMN-FPOVZHCZSA-N 1 2 358.482 2.344 20 30 FEEDLO CN(Cc1nccc(N)n1)[C@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2Cl)C1 ZINC000373024002 557612266 /nfs/dbraw/zinc/61/22/66/557612266.db2.gz BOZYQPAHOKATJT-ZDUSSCGKSA-N 1 2 374.851 2.429 20 30 FEEDLO CN(Cc1nccc(N)n1)[C@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2Cl)C1 ZINC000373024002 557612270 /nfs/dbraw/zinc/61/22/70/557612270.db2.gz BOZYQPAHOKATJT-ZDUSSCGKSA-N 1 2 374.851 2.429 20 30 FEEDLO C[N@H+](Cc1nccc(N)n1)[C@H]1CCN(Cc2ccc(F)c(C#N)c2Cl)C1 ZINC000373024002 557612272 /nfs/dbraw/zinc/61/22/72/557612272.db2.gz BOZYQPAHOKATJT-ZDUSSCGKSA-N 1 2 374.851 2.429 20 30 FEEDLO C[N@@H+](Cc1nccc(N)n1)[C@H]1CCN(Cc2ccc(F)c(C#N)c2Cl)C1 ZINC000373024002 557612274 /nfs/dbraw/zinc/61/22/74/557612274.db2.gz BOZYQPAHOKATJT-ZDUSSCGKSA-N 1 2 374.851 2.429 20 30 FEEDLO N#Cc1ncn(C2CC[NH+](CC(=O)Nc3nc4ccccc4s3)CC2)n1 ZINC000373414154 557689130 /nfs/dbraw/zinc/68/91/30/557689130.db2.gz VQOKIWWDCUTOFC-UHFFFAOYSA-N 1 2 367.438 2.035 20 30 FEEDLO Cn1cc(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3C#N)CC2)cn1 ZINC000373461247 557698310 /nfs/dbraw/zinc/69/83/10/557698310.db2.gz UTNUSCXRNIAMAA-UHFFFAOYSA-N 1 2 357.845 2.340 20 30 FEEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC(C)(C)O[C@@]2(CCCOC2)C1 ZINC000373797041 557760991 /nfs/dbraw/zinc/76/09/91/557760991.db2.gz MJFHVMDWIIBDPV-UZLBHIALSA-N 1 2 363.502 2.378 20 30 FEEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC(C)(C)O[C@@]2(CCCOC2)C1 ZINC000373797041 557760994 /nfs/dbraw/zinc/76/09/94/557760994.db2.gz MJFHVMDWIIBDPV-UZLBHIALSA-N 1 2 363.502 2.378 20 30 FEEDLO C[C@H]1C[N@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@]2(CCCOC2)O1 ZINC000373811435 557764251 /nfs/dbraw/zinc/76/42/51/557764251.db2.gz MCZZYISQJAZFCU-SCLBCKFNSA-N 1 2 363.845 2.420 20 30 FEEDLO C[C@H]1C[N@@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@]2(CCCOC2)O1 ZINC000373811435 557764252 /nfs/dbraw/zinc/76/42/52/557764252.db2.gz MCZZYISQJAZFCU-SCLBCKFNSA-N 1 2 363.845 2.420 20 30 FEEDLO C[C@@H]1C[N@@H+](CCN(C)C(=O)[C@]2(C#N)CCc3ccccc3C2)C[C@H](C)O1 ZINC000373843046 557771612 /nfs/dbraw/zinc/77/16/12/557771612.db2.gz TWNAWYXEURBSJZ-LLGFUMIMSA-N 1 2 355.482 2.253 20 30 FEEDLO C[C@@H]1C[N@H+](CCN(C)C(=O)[C@]2(C#N)CCc3ccccc3C2)C[C@H](C)O1 ZINC000373843046 557771614 /nfs/dbraw/zinc/77/16/14/557771614.db2.gz TWNAWYXEURBSJZ-LLGFUMIMSA-N 1 2 355.482 2.253 20 30 FEEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000520572293 562159303 /nfs/dbraw/zinc/15/93/03/562159303.db2.gz SYHXWPDVMWNWRW-NSHDSACASA-N 1 2 354.357 2.002 20 30 FEEDLO C[C@H]1COCC[N@H+]1CCNC(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000520572293 562159304 /nfs/dbraw/zinc/15/93/04/562159304.db2.gz SYHXWPDVMWNWRW-NSHDSACASA-N 1 2 354.357 2.002 20 30 FEEDLO N#Cc1cccc(-n2ccc(C(=O)N[C@@H]3CCN(c4cccc[nH+]4)C3)n2)c1 ZINC000374276893 557856747 /nfs/dbraw/zinc/85/67/47/557856747.db2.gz GKKCFPBFEVAGQR-MRXNPFEDSA-N 1 2 358.405 2.148 20 30 FEEDLO CC(=O)Oc1ccc(C[N@@H+]2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)cc1 ZINC000374348362 557869602 /nfs/dbraw/zinc/86/96/02/557869602.db2.gz FXKNCDJYHKOHCT-IERDGZPVSA-N 1 2 361.401 2.457 20 30 FEEDLO CC(=O)Oc1ccc(C[N@H+]2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)cc1 ZINC000374348362 557869603 /nfs/dbraw/zinc/86/96/03/557869603.db2.gz FXKNCDJYHKOHCT-IERDGZPVSA-N 1 2 361.401 2.457 20 30 FEEDLO C=CCc1ccc(OCC(=O)N2CC[NH2+][C@@H](c3ccncc3)C2)c(OC)c1 ZINC000374378566 557874740 /nfs/dbraw/zinc/87/47/40/557874740.db2.gz SDBHLYHIRSVVKT-GOSISDBHSA-N 1 2 367.449 2.371 20 30 FEEDLO CC(=O)NCc1ccc([C@@H]2CCC[N@H+]2CC(=O)N[C@](C)(C#N)C(C)C)o1 ZINC000375139232 557982909 /nfs/dbraw/zinc/98/29/09/557982909.db2.gz DUHNQVUWEHMPLG-QFBILLFUSA-N 1 2 360.458 2.107 20 30 FEEDLO CC(=O)NCc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N[C@](C)(C#N)C(C)C)o1 ZINC000375139232 557982911 /nfs/dbraw/zinc/98/29/11/557982911.db2.gz DUHNQVUWEHMPLG-QFBILLFUSA-N 1 2 360.458 2.107 20 30 FEEDLO C[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc(C#N)o2)[C@H]1c1ccc(F)c(F)c1 ZINC000376353558 558161991 /nfs/dbraw/zinc/16/19/91/558161991.db2.gz YWHUPIHSZGTPDB-GDBMZVCRSA-N 1 2 367.377 2.153 20 30 FEEDLO C[N@H+]1CC[C@@H](NS(=O)(=O)c2ccc(C#N)o2)[C@H]1c1ccc(F)c(F)c1 ZINC000376353558 558161993 /nfs/dbraw/zinc/16/19/93/558161993.db2.gz YWHUPIHSZGTPDB-GDBMZVCRSA-N 1 2 367.377 2.153 20 30 FEEDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)[C@H](C#N)Cc2ccc(C#N)cc2)C1 ZINC000376496396 558180869 /nfs/dbraw/zinc/18/08/69/558180869.db2.gz WZBFOZAIEYJJOV-MOPGFXCFSA-N 1 2 361.449 2.455 20 30 FEEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000376780658 558220597 /nfs/dbraw/zinc/22/05/97/558220597.db2.gz WADMMISOPZQESF-NEWSRXKRSA-N 1 2 356.470 2.188 20 30 FEEDLO CC1(C)C[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CCCO1 ZINC000377233242 558294765 /nfs/dbraw/zinc/29/47/65/558294765.db2.gz RSJXKVMSNYZNAI-UHFFFAOYSA-N 1 2 353.426 2.183 20 30 FEEDLO CC1(C)C[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CCCO1 ZINC000377233242 558294768 /nfs/dbraw/zinc/29/47/68/558294768.db2.gz RSJXKVMSNYZNAI-UHFFFAOYSA-N 1 2 353.426 2.183 20 30 FEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCCN(C(=O)CC2CCCC2)CC1 ZINC000377584244 558371390 /nfs/dbraw/zinc/37/13/90/558371390.db2.gz PJXXLWJRVCNTIE-QGZVFWFLSA-N 1 2 362.518 2.109 20 30 FEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCCN(C(=O)CC2CCCC2)CC1 ZINC000377584244 558371391 /nfs/dbraw/zinc/37/13/91/558371391.db2.gz PJXXLWJRVCNTIE-QGZVFWFLSA-N 1 2 362.518 2.109 20 30 FEEDLO CCOC(=O)Nc1ccc(NC(=O)N2CCn3c[nH+]cc3C2)cc1C#N ZINC000377821375 558426583 /nfs/dbraw/zinc/42/65/83/558426583.db2.gz NOWCQSUHNVYZFD-UHFFFAOYSA-N 1 2 354.370 2.371 20 30 FEEDLO CCc1noc([C@]2(O)CC[N@H+](Cc3ccc(F)c(C#N)c3Cl)C2)n1 ZINC000377836172 558432060 /nfs/dbraw/zinc/43/20/60/558432060.db2.gz ZISXKKRNGOFYEO-INIZCTEOSA-N 1 2 350.781 2.390 20 30 FEEDLO CCc1noc([C@]2(O)CC[N@@H+](Cc3ccc(F)c(C#N)c3Cl)C2)n1 ZINC000377836172 558432062 /nfs/dbraw/zinc/43/20/62/558432062.db2.gz ZISXKKRNGOFYEO-INIZCTEOSA-N 1 2 350.781 2.390 20 30 FEEDLO CCO[C@H](C)c1noc(C[N@@H+]2CCCN(c3cccnc3C#N)CC2)n1 ZINC000377988154 558458545 /nfs/dbraw/zinc/45/85/45/558458545.db2.gz NMQLJAQLDAWWEJ-CQSZACIVSA-N 1 2 356.430 2.146 20 30 FEEDLO CCO[C@H](C)c1noc(C[N@H+]2CCCN(c3cccnc3C#N)CC2)n1 ZINC000377988154 558458546 /nfs/dbraw/zinc/45/85/46/558458546.db2.gz NMQLJAQLDAWWEJ-CQSZACIVSA-N 1 2 356.430 2.146 20 30 FEEDLO O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1ccc(-n2cc[nH+]c2)nn1 ZINC000523121431 562208750 /nfs/dbraw/zinc/20/87/50/562208750.db2.gz SXJLMXHQNVYSPO-UHFFFAOYSA-N 1 2 371.322 2.463 20 30 FEEDLO CC(=O)Nc1cccc(C[N@@H+]2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)c1 ZINC000378292630 558522047 /nfs/dbraw/zinc/52/20/47/558522047.db2.gz RVQZPYSEYPVAPI-KKSFZXQISA-N 1 2 360.417 2.490 20 30 FEEDLO CC(=O)Nc1cccc(C[N@H+]2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)c1 ZINC000378292630 558522049 /nfs/dbraw/zinc/52/20/49/558522049.db2.gz RVQZPYSEYPVAPI-KKSFZXQISA-N 1 2 360.417 2.490 20 30 FEEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000378296934 558523081 /nfs/dbraw/zinc/52/30/81/558523081.db2.gz ZZRBBSDNRVGLCX-MRUHUIDDSA-N 1 2 366.465 2.145 20 30 FEEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000378296934 558523083 /nfs/dbraw/zinc/52/30/83/558523083.db2.gz ZZRBBSDNRVGLCX-MRUHUIDDSA-N 1 2 366.465 2.145 20 30 FEEDLO C=C[C@@H](CC(=O)N1CCC(N2CC[N@@H+](C)CC2=O)CC1)c1ccccc1 ZINC000378566978 558584975 /nfs/dbraw/zinc/58/49/75/558584975.db2.gz BLYMWKHVOOBLOQ-KRWDZBQOSA-N 1 2 355.482 2.111 20 30 FEEDLO C=C[C@@H](CC(=O)N1CCC(N2CC[N@H+](C)CC2=O)CC1)c1ccccc1 ZINC000378566978 558584977 /nfs/dbraw/zinc/58/49/77/558584977.db2.gz BLYMWKHVOOBLOQ-KRWDZBQOSA-N 1 2 355.482 2.111 20 30 FEEDLO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000408182921 558654434 /nfs/dbraw/zinc/65/44/34/558654434.db2.gz OBERNPDWIYDVRM-TZMCWYRMSA-N 1 2 353.875 2.459 20 30 FEEDLO C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000408182921 558654437 /nfs/dbraw/zinc/65/44/37/558654437.db2.gz OBERNPDWIYDVRM-TZMCWYRMSA-N 1 2 353.875 2.459 20 30 FEEDLO C[C@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000408394547 558673809 /nfs/dbraw/zinc/67/38/09/558673809.db2.gz JUMVKUSBIHZWFV-QWRGUYRKSA-N 1 2 372.288 2.034 20 30 FEEDLO C[C@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000408394547 558673811 /nfs/dbraw/zinc/67/38/11/558673811.db2.gz JUMVKUSBIHZWFV-QWRGUYRKSA-N 1 2 372.288 2.034 20 30 FEEDLO CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000409493663 558697235 /nfs/dbraw/zinc/69/72/35/558697235.db2.gz LBYUETMNGUCZDN-INIZCTEOSA-N 1 2 367.519 2.102 20 30 FEEDLO N#Cc1cccc(-n2ccc(C(=O)N3CC[C@H](Oc4cc[nH+]cc4)C3)n2)c1 ZINC000409834873 558722594 /nfs/dbraw/zinc/72/25/94/558722594.db2.gz UOFABVQBZDSNOV-SFHVURJKSA-N 1 2 359.389 2.432 20 30 FEEDLO C=CC(C)(C)CNC(=O)C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000411572806 558920373 /nfs/dbraw/zinc/92/03/73/558920373.db2.gz JMAARPGJPNJJQQ-UHFFFAOYSA-N 1 2 356.426 2.229 20 30 FEEDLO Cn1c[nH+]cc1CCC(=O)NC1CCC(Oc2ncccc2C#N)CC1 ZINC000526012404 562263643 /nfs/dbraw/zinc/26/36/43/562263643.db2.gz WKIVSFGLYSYCQA-UHFFFAOYSA-N 1 2 353.426 2.126 20 30 FEEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000413822876 559132934 /nfs/dbraw/zinc/13/29/34/559132934.db2.gz LSDUXYKCOLQXAH-IBGZPJMESA-N 1 2 367.497 2.435 20 30 FEEDLO C[N@H+](CCC#N)C[C@@H](O)CSc1nncn1-c1cccc(Cl)c1 ZINC000414096048 559149046 /nfs/dbraw/zinc/14/90/46/559149046.db2.gz KWDQNOHWMLXHRF-CQSZACIVSA-N 1 2 351.863 2.219 20 30 FEEDLO C[N@@H+](CCC#N)C[C@@H](O)CSc1nncn1-c1cccc(Cl)c1 ZINC000414096048 559149047 /nfs/dbraw/zinc/14/90/47/559149047.db2.gz KWDQNOHWMLXHRF-CQSZACIVSA-N 1 2 351.863 2.219 20 30 FEEDLO Cc1[nH+]ccc(NS(=O)(=O)c2ccc(C#N)cc2)c1Br ZINC000527112233 562277001 /nfs/dbraw/zinc/27/70/01/562277001.db2.gz LNCZIIVAHVYNHG-UHFFFAOYSA-N 1 2 352.213 2.247 20 30 FEEDLO CC[N@@H+]1CC[C@H](NS(=O)(=O)[C@H](C)C#N)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000416460089 559314547 /nfs/dbraw/zinc/31/45/47/559314547.db2.gz UOCBMMIZCDMOQW-DVJZZOLTSA-N 1 2 361.389 2.071 20 30 FEEDLO CC[N@H+]1CC[C@H](NS(=O)(=O)[C@H](C)C#N)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000416460089 559314548 /nfs/dbraw/zinc/31/45/48/559314548.db2.gz UOCBMMIZCDMOQW-DVJZZOLTSA-N 1 2 361.389 2.071 20 30 FEEDLO Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)NCC2(C#N)CCC2)cc1 ZINC000419406155 559440799 /nfs/dbraw/zinc/44/07/99/559440799.db2.gz UNVXTYXMNXMMMO-SFHVURJKSA-N 1 2 356.470 2.361 20 30 FEEDLO C[NH+](C)[C@H](CNC(=O)C(=O)NCC(C)(C)CC#N)c1ccccc1Cl ZINC000420871412 559508654 /nfs/dbraw/zinc/50/86/54/559508654.db2.gz DFPVBJPBNJUTME-OAHLLOKOSA-N 1 2 364.877 2.115 20 30 FEEDLO C[C@@H]1C[C@H](C(=O)OC(C)(C)C)C[N@@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000421031332 559520696 /nfs/dbraw/zinc/52/06/96/559520696.db2.gz WDSGYNQZPXZQPP-COXVUDFISA-N 1 2 357.454 2.384 20 30 FEEDLO C[C@@H]1C[C@H](C(=O)OC(C)(C)C)C[N@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000421031332 559520697 /nfs/dbraw/zinc/52/06/97/559520697.db2.gz WDSGYNQZPXZQPP-COXVUDFISA-N 1 2 357.454 2.384 20 30 FEEDLO CC(C)(C)OC(=O)C[NH2+][C@]1(C)CCN(c2ncc3c(c2C#N)CCC3)C1 ZINC000425263007 559694114 /nfs/dbraw/zinc/69/41/14/559694114.db2.gz SPLPAELXOPAJTL-HXUWFJFHSA-N 1 2 356.470 2.342 20 30 FEEDLO C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000425387149 559699421 /nfs/dbraw/zinc/69/94/21/559699421.db2.gz QJDMGVYYWHMVPY-CQSZACIVSA-N 1 2 365.437 2.207 20 30 FEEDLO COC(=O)c1cnc([C@H](C)[NH2+]CC(=O)N(C)C2(C#N)CCCCC2)s1 ZINC000425491218 559705211 /nfs/dbraw/zinc/70/52/11/559705211.db2.gz QEUKYCIMSDTDPX-LBPRGKRZSA-N 1 2 364.471 2.265 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H](C[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000425574600 559710373 /nfs/dbraw/zinc/71/03/73/559710373.db2.gz LLNHDQWIJJWZPR-ZCNNSNEGSA-N 1 2 373.497 2.259 20 30 FEEDLO C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1S(=O)(=O)c1cccnc1C#N ZINC000428410029 559774970 /nfs/dbraw/zinc/77/49/70/559774970.db2.gz DEDRVOGMZLPLKT-HOTGVXAUSA-N 1 2 370.478 2.237 20 30 FEEDLO C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1S(=O)(=O)c1cccnc1C#N ZINC000428410029 559774971 /nfs/dbraw/zinc/77/49/71/559774971.db2.gz DEDRVOGMZLPLKT-HOTGVXAUSA-N 1 2 370.478 2.237 20 30 FEEDLO COC(=O)[C@@]1(c2ccccc2)CC[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000428792802 559783535 /nfs/dbraw/zinc/78/35/35/559783535.db2.gz XYZXWUAJAWCFTE-IBGZPJMESA-N 1 2 369.446 2.375 20 30 FEEDLO COC(=O)[C@@]1(c2ccccc2)CC[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000428792802 559783536 /nfs/dbraw/zinc/78/35/36/559783536.db2.gz XYZXWUAJAWCFTE-IBGZPJMESA-N 1 2 369.446 2.375 20 30 FEEDLO COc1cc(OCC(=O)N2CC[NH+](Cc3ccsc3)CC2)ccc1C#N ZINC000436247249 559938288 /nfs/dbraw/zinc/93/82/88/559938288.db2.gz MOCMDPCXHHZRSL-UHFFFAOYSA-N 1 2 371.462 2.352 20 30 FEEDLO C[NH+](C)[C@@H](CNS(=O)(=O)Cc1ccc(C#N)cc1F)c1ccco1 ZINC000440058046 560003956 /nfs/dbraw/zinc/00/39/56/560003956.db2.gz BJNOMLFMULEQQW-HNNXBMFYSA-N 1 2 351.403 2.013 20 30 FEEDLO C[C@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC000440268380 560007740 /nfs/dbraw/zinc/00/77/40/560007740.db2.gz SAYADNBKZXILRH-KRWDZBQOSA-N 1 2 361.445 2.187 20 30 FEEDLO C[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC000440268380 560007741 /nfs/dbraw/zinc/00/77/41/560007741.db2.gz SAYADNBKZXILRH-KRWDZBQOSA-N 1 2 361.445 2.187 20 30 FEEDLO Cn1cc(C[NH+]2CCN(c3ccc(C(F)(F)F)c(C#N)n3)CC2)cn1 ZINC000443519336 560086311 /nfs/dbraw/zinc/08/63/11/560086311.db2.gz VOGFYNHSRSZMNF-UHFFFAOYSA-N 1 2 350.348 2.028 20 30 FEEDLO C[N@@H+]1CCCC(C)(C)[C@H]1CNS(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000447946663 560174272 /nfs/dbraw/zinc/17/42/72/560174272.db2.gz WYHJAJPFVKXGPX-CQSZACIVSA-N 1 2 357.426 2.235 20 30 FEEDLO C[N@H+]1CCCC(C)(C)[C@H]1CNS(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000447946663 560174273 /nfs/dbraw/zinc/17/42/73/560174273.db2.gz WYHJAJPFVKXGPX-CQSZACIVSA-N 1 2 357.426 2.235 20 30 FEEDLO CO[C@@H](Cc1ccccc1)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000448578587 560190807 /nfs/dbraw/zinc/19/08/07/560190807.db2.gz OZBVJJVSZWQMEJ-NRFANRHFSA-N 1 2 363.461 2.460 20 30 FEEDLO C[C@@H](NC(=O)c1cccc(C#N)c1Br)[C@H](C)[NH+]1CCOCC1 ZINC000448915162 560206395 /nfs/dbraw/zinc/20/63/95/560206395.db2.gz CIJKBFAGWIQEII-NEPJUHHUSA-N 1 2 366.259 2.160 20 30 FEEDLO CC(C)(C)OC(=O)C[NH2+][C@@]1(C)CCN(C(=O)[C@]2(C#N)CC23CCCC3)C1 ZINC000451446695 560307605 /nfs/dbraw/zinc/30/76/05/560307605.db2.gz QPNONEZOEVJTRB-AZUAARDMSA-N 1 2 361.486 2.383 20 30 FEEDLO CC(C)(C)Oc1ccc(NC(=O)C(=O)NCCCn2cc[nH+]c2)cc1C#N ZINC000453559058 560388786 /nfs/dbraw/zinc/38/87/86/560388786.db2.gz DYEDFZUVKSROAR-UHFFFAOYSA-N 1 2 369.425 2.077 20 30 FEEDLO Cc1cc(C#N)cc(NC(=O)C(=O)N2CC(C)(C)[C@H]2c2[nH+]ccn2C)c1 ZINC000453837078 560407160 /nfs/dbraw/zinc/40/71/60/560407160.db2.gz UJZUWULPFQSWKZ-OAHLLOKOSA-N 1 2 351.410 2.148 20 30 FEEDLO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)Nc2cccc(CC#N)c2)CC1 ZINC000455911099 560499890 /nfs/dbraw/zinc/49/98/90/560499890.db2.gz DMAQCMDMLLLZDC-UHFFFAOYSA-N 1 2 366.469 2.453 20 30 FEEDLO C[C@@H](CC#N)NC(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000455960193 560502264 /nfs/dbraw/zinc/50/22/64/560502264.db2.gz WHYVBGGWUJBNTN-JTQLQIEISA-N 1 2 368.235 2.104 20 30 FEEDLO Cc1cccc([C@@H](CNC(=O)c2cc(C)c(C#N)cn2)[NH+]2CCOCC2)c1 ZINC000457441626 560566754 /nfs/dbraw/zinc/56/67/54/560566754.db2.gz MDNNUZIZFMVAJP-HXUWFJFHSA-N 1 2 364.449 2.373 20 30 FEEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 ZINC000459050116 560663844 /nfs/dbraw/zinc/66/38/44/560663844.db2.gz DVGYWYWHBQFIAW-FUHWJXTLSA-N 1 2 366.469 2.384 20 30 FEEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@H](C)c1ccn(C)n1 ZINC000459794384 560708598 /nfs/dbraw/zinc/70/85/98/560708598.db2.gz PNGFFTOMUARXOL-CQSZACIVSA-N 1 2 372.473 2.036 20 30 FEEDLO C[C@H](CNS(=O)(=O)c1c(F)cc(C#N)cc1F)[N@@H+]1CCCC[C@@H]1C ZINC000467156775 560905048 /nfs/dbraw/zinc/90/50/48/560905048.db2.gz CFXFSSRZIOTLPE-NWDGAFQWSA-N 1 2 357.426 2.378 20 30 FEEDLO C[C@H](CNS(=O)(=O)c1c(F)cc(C#N)cc1F)[N@H+]1CCCC[C@@H]1C ZINC000467156775 560905049 /nfs/dbraw/zinc/90/50/49/560905049.db2.gz CFXFSSRZIOTLPE-NWDGAFQWSA-N 1 2 357.426 2.378 20 30 FEEDLO C=CCOCCC[NH+]1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000470720941 560988076 /nfs/dbraw/zinc/98/80/76/560988076.db2.gz AOROZYHZANDCRP-UHFFFAOYSA-N 1 2 358.891 2.239 20 30 FEEDLO CSc1[nH]c(=O)c(C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)cc1C#N ZINC000476505682 561121154 /nfs/dbraw/zinc/12/11/54/561121154.db2.gz DSPAGTTZTHAXPF-CYBMUJFWSA-N 1 2 360.483 2.329 20 30 FEEDLO O=C1c2ccccc2C(=O)N1CC#CC[N@@H+]1CCO[C@H](c2ccccc2)C1 ZINC000528347354 562324062 /nfs/dbraw/zinc/32/40/62/562324062.db2.gz AVYDKLAELOABPW-FQEVSTJZSA-N 1 2 360.413 2.360 20 30 FEEDLO O=C1c2ccccc2C(=O)N1CC#CC[N@H+]1CCO[C@H](c2ccccc2)C1 ZINC000528347354 562324063 /nfs/dbraw/zinc/32/40/63/562324063.db2.gz AVYDKLAELOABPW-FQEVSTJZSA-N 1 2 360.413 2.360 20 30 FEEDLO C[C@H](c1cccnc1)[NH+]1CCN(C[C@H](O)COc2ccccc2C#N)CC1 ZINC000528385578 562326243 /nfs/dbraw/zinc/32/62/43/562326243.db2.gz CQKMGYWSMASMQF-XLIONFOSSA-N 1 2 366.465 2.072 20 30 FEEDLO CCN1CCN(C(=O)Nc2ccc(COC)c(C#N)c2)C[C@H]1c1[nH]cc[nH+]1 ZINC000529210132 562364866 /nfs/dbraw/zinc/36/48/66/562364866.db2.gz GMCXMPULRHOKGY-KRWDZBQOSA-N 1 2 368.441 2.338 20 30 FEEDLO COc1cc(C#N)ccc1C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000535758320 562567099 /nfs/dbraw/zinc/56/70/99/562567099.db2.gz DWLZQZAUMUMQIB-UHFFFAOYSA-N 1 2 353.382 2.192 20 30 FEEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+](C)C[C@H](O)C(F)(F)F)cc1 ZINC000537017953 562584192 /nfs/dbraw/zinc/58/41/92/562584192.db2.gz ZUJIFLABZZNHDF-HNNXBMFYSA-N 1 2 373.375 2.187 20 30 FEEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+](C)C[C@H](O)C(F)(F)F)cc1 ZINC000537017953 562584193 /nfs/dbraw/zinc/58/41/93/562584193.db2.gz ZUJIFLABZZNHDF-HNNXBMFYSA-N 1 2 373.375 2.187 20 30 FEEDLO CCc1ccccc1Nc1nc(N)nc(C[NH+]2CCC(CC#N)CC2)n1 ZINC000541024919 562600749 /nfs/dbraw/zinc/60/07/49/562600749.db2.gz UINNUTMJUQFWFB-UHFFFAOYSA-N 1 2 351.458 2.307 20 30 FEEDLO N#Cc1ccc(-c2ccccc2)nc1SC[C@@H](O)C[NH+]1CCOCC1 ZINC000541238189 562606825 /nfs/dbraw/zinc/60/68/25/562606825.db2.gz QLQKLVXEHRNEIF-KRWDZBQOSA-N 1 2 355.463 2.405 20 30 FEEDLO COc1ccc(C(=O)CCC(=O)NC2(C#N)CC[NH+](C)CC2)c(Cl)c1 ZINC000541887812 562622216 /nfs/dbraw/zinc/62/22/16/562622216.db2.gz AECCDPPODCFKKG-UHFFFAOYSA-N 1 2 363.845 2.416 20 30 FEEDLO COc1cc(C#N)ccc1NC(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000546003350 562632656 /nfs/dbraw/zinc/63/26/56/562632656.db2.gz XVETWSJAZDNSAW-UHFFFAOYSA-N 1 2 367.409 2.120 20 30 FEEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602858990 568003082 /nfs/dbraw/zinc/00/30/82/568003082.db2.gz DMLQGYSFQCLHAW-MOXMWUHRSA-N 1 2 359.518 2.224 20 30 FEEDLO COc1ccccc1[C@@H](C)N(C)C(=O)C[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602866337 568008240 /nfs/dbraw/zinc/00/82/40/568008240.db2.gz VQUOENFEXYTCGW-IXDOHACOSA-N 1 2 358.486 2.133 20 30 FEEDLO COc1ccccc1[C@@H](C)N(C)C(=O)C[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602866337 568008241 /nfs/dbraw/zinc/00/82/41/568008241.db2.gz VQUOENFEXYTCGW-IXDOHACOSA-N 1 2 358.486 2.133 20 30 FEEDLO C[C@@H]1C[NH+](CC(=O)Nc2ccc(OC(F)(F)F)cc2)C[C@@H](C)N1CC#N ZINC000602867363 568008486 /nfs/dbraw/zinc/00/84/86/568008486.db2.gz YCUFYUSJMBSEDK-CHWSQXEVSA-N 1 2 370.375 2.442 20 30 FEEDLO CC(C)OCc1ccccc1CNC(=O)C[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602867394 568008546 /nfs/dbraw/zinc/00/85/46/568008546.db2.gz YGHFUGLVNJZMJF-ROUUACIJSA-N 1 2 372.513 2.146 20 30 FEEDLO CN(CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1CCC[C@@H]1C#N ZINC000602976197 568036077 /nfs/dbraw/zinc/03/60/77/568036077.db2.gz MMUAGNQESPQHJI-IEBWSBKVSA-N 1 2 356.470 2.081 20 30 FEEDLO N#C[C@@H](c1ccc(F)cc1)N1CC[NH+]([C@H]2CCN(C3CCC3)C2=O)CC1 ZINC000602802274 568036915 /nfs/dbraw/zinc/03/69/15/568036915.db2.gz PZUPBEXCQRNANB-OALUTQOASA-N 1 2 356.445 2.161 20 30 FEEDLO C[C@@H](CC#N)[NH2+]CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F ZINC000602861337 568049598 /nfs/dbraw/zinc/04/95/98/568049598.db2.gz HCWMBDCHYOTMCW-GXFFZTMASA-N 1 2 354.332 2.184 20 30 FEEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@H](C)C(=O)N(C)Cc2cccc(F)c2)CC1 ZINC000609486382 568346336 /nfs/dbraw/zinc/34/63/36/568346336.db2.gz JHKXIPPVOPTJHJ-APWZRJJASA-N 1 2 360.477 2.338 20 30 FEEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@@H](C)C(=O)NCCc2ccc(F)cc2)CC1 ZINC000609487279 568346714 /nfs/dbraw/zinc/34/67/14/568346714.db2.gz ZXQWOFLPQPJKHQ-LPHOPBHVSA-N 1 2 360.477 2.039 20 30 FEEDLO Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[N@@H+](CCC#N)C(C)C ZINC000737525605 598852445 /nfs/dbraw/zinc/85/24/45/598852445.db2.gz UONZPXLODNMZFV-UHFFFAOYSA-N 1 2 351.418 2.015 20 30 FEEDLO Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[N@H+](CCC#N)C(C)C ZINC000737525605 598852446 /nfs/dbraw/zinc/85/24/46/598852446.db2.gz UONZPXLODNMZFV-UHFFFAOYSA-N 1 2 351.418 2.015 20 30 FEEDLO C[S@](=O)CC[NH+]1CCN(Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000811466238 674606450 /nfs/dbraw/zinc/60/64/50/674606450.db2.gz PDTKDTKNVUADDT-DEOSSOPVSA-N 1 2 359.417 2.073 20 30 FEEDLO N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CCO[C@@]4(CCSC4)C3)C2=O)cc1 ZINC000563067752 674843138 /nfs/dbraw/zinc/84/31/38/674843138.db2.gz IXURAMRCWYAIOZ-MJGOQNOKSA-N 1 2 357.479 2.262 20 30 FEEDLO N#Cc1ccc(N2CCC[C@@H]([N@H+]3CCO[C@@]4(CCSC4)C3)C2=O)cc1 ZINC000563067752 674843140 /nfs/dbraw/zinc/84/31/40/674843140.db2.gz IXURAMRCWYAIOZ-MJGOQNOKSA-N 1 2 357.479 2.262 20 30 FEEDLO C#CC[NH+]1CCN(Cn2nc(-c3cccnc3)n(C3CC3)c2=S)CC1 ZINC000044756649 670194756 /nfs/dbraw/zinc/19/47/56/670194756.db2.gz ARHIMIZQTFQLMN-UHFFFAOYSA-N 1 2 354.483 2.019 20 30 FEEDLO COC(=O)CCCc1nc(CO[NH+]=C(N)Cc2ccc(Cl)cc2)no1 ZINC000111178531 670855917 /nfs/dbraw/zinc/85/59/17/670855917.db2.gz PFNGZKLCLVMNKS-UHFFFAOYSA-N 1 2 366.805 2.250 20 30 FEEDLO CC(C)(CNC(=O)CSc1cccc(F)c1C#N)[NH+]1CCOCC1 ZINC000572135626 670965874 /nfs/dbraw/zinc/96/58/74/670965874.db2.gz GXCLCAPBOZBJTM-UHFFFAOYSA-N 1 2 351.447 2.016 20 30 FEEDLO C[N@@H+]1CC[C@@H](NS(=O)(=O)CC2(CC#N)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000577341049 671588631 /nfs/dbraw/zinc/58/86/31/671588631.db2.gz NGEGMQLZWKGHCE-CVEARBPZSA-N 1 2 369.437 2.323 20 30 FEEDLO C[N@H+]1CC[C@@H](NS(=O)(=O)CC2(CC#N)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000577341049 671588634 /nfs/dbraw/zinc/58/86/34/671588634.db2.gz NGEGMQLZWKGHCE-CVEARBPZSA-N 1 2 369.437 2.323 20 30 FEEDLO C[C@H](C(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1)n1cnc(C#N)n1 ZINC000580387699 671802600 /nfs/dbraw/zinc/80/26/00/671802600.db2.gz SQLSTIKGBOPRHJ-GFCCVEGCSA-N 1 2 359.459 2.038 20 30 FEEDLO CN(C)S(=O)(=O)c1cccc(C(=O)/C=C/c2c[nH+]c3ccccn23)c1 ZINC000119130628 671893229 /nfs/dbraw/zinc/89/32/29/671893229.db2.gz NCYKYVIAFXZAFU-MDZDMXLPSA-N 1 2 355.419 2.481 20 30 FEEDLO COc1c(C)c[nH+]c(CNS(=O)(=O)Cc2cc(C#N)ccc2F)c1C ZINC000120838837 671936663 /nfs/dbraw/zinc/93/66/63/671936663.db2.gz QIUPFCUKBNRGHT-UHFFFAOYSA-N 1 2 363.414 2.337 20 30 FEEDLO N#Cc1ccc(Br)cc1S(=O)(=O)N1CCc2c[nH+]ccc21 ZINC000583395235 672090699 /nfs/dbraw/zinc/09/06/99/672090699.db2.gz MLIHLYPWKDMPBV-UHFFFAOYSA-N 1 2 364.224 2.467 20 30 FEEDLO CC[N@@H+]1CCN(S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C[C@H]1C ZINC000611083698 676016017 /nfs/dbraw/zinc/01/60/17/676016017.db2.gz WHMWOMAQJIJTSQ-LLVKDONJSA-N 1 2 361.389 2.292 20 30 FEEDLO CC[N@H+]1CCN(S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C[C@H]1C ZINC000611083698 676016020 /nfs/dbraw/zinc/01/60/20/676016020.db2.gz WHMWOMAQJIJTSQ-LLVKDONJSA-N 1 2 361.389 2.292 20 30 FEEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000590005767 672554102 /nfs/dbraw/zinc/55/41/02/672554102.db2.gz LKQFMLXIFMFBDQ-FWYOQMDTSA-N 1 2 359.495 2.386 20 30 FEEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000590005767 672554107 /nfs/dbraw/zinc/55/41/07/672554107.db2.gz LKQFMLXIFMFBDQ-FWYOQMDTSA-N 1 2 359.495 2.386 20 30 FEEDLO C[C@@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592148402 672763915 /nfs/dbraw/zinc/76/39/15/672763915.db2.gz YEWOUOXGINYURN-NHYWBVRUSA-N 1 2 352.232 2.127 20 30 FEEDLO C[C@@H](C(=O)Nc1cccc(Br)c1)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592148402 672763920 /nfs/dbraw/zinc/76/39/20/672763920.db2.gz YEWOUOXGINYURN-NHYWBVRUSA-N 1 2 352.232 2.127 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCC(C)(C(=O)OC(C)(C)C)CC1 ZINC000592157714 672765641 /nfs/dbraw/zinc/76/56/41/672765641.db2.gz JPHCAMXQHNCYEW-IBGZPJMESA-N 1 2 351.491 2.485 20 30 FEEDLO N#Cc1sccc1S(=O)(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000593525638 672933567 /nfs/dbraw/zinc/93/35/67/672933567.db2.gz UWYUGLJNPDEQIZ-GFCCVEGCSA-N 1 2 351.453 2.328 20 30 FEEDLO C[C@H](CNS(=O)(=O)c1ccsc1C#N)[N@@H+]1CCc2sccc2C1 ZINC000593532592 672935372 /nfs/dbraw/zinc/93/53/72/672935372.db2.gz XXKVSVNUMOHASH-LLVKDONJSA-N 1 2 367.521 2.406 20 30 FEEDLO C[C@H](CNS(=O)(=O)c1ccsc1C#N)[N@H+]1CCc2sccc2C1 ZINC000593532592 672935375 /nfs/dbraw/zinc/93/53/75/672935375.db2.gz XXKVSVNUMOHASH-LLVKDONJSA-N 1 2 367.521 2.406 20 30 FEEDLO N#Cc1cc(Br)ccc1CC(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000593697869 672980347 /nfs/dbraw/zinc/98/03/47/672980347.db2.gz GWCRVBMAOTYOCK-AWEZNQCLSA-N 1 2 359.227 2.191 20 30 FEEDLO O=C(NC[C@H](O)C[NH+]1CCOCC1)Nc1ncc(C2CCCCC2)s1 ZINC000329476040 673077943 /nfs/dbraw/zinc/07/79/43/673077943.db2.gz UAIIQNWSWIIPPW-AWEZNQCLSA-N 1 2 368.503 2.210 20 30 FEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@](O)(c1ccc(Cl)cc1)C(F)(F)F ZINC000730281442 673268657 /nfs/dbraw/zinc/26/86/57/673268657.db2.gz KMVFSWQSBPRHSC-HOCLYGCPSA-N 1 2 374.790 2.304 20 30 FEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@](O)(c1ccc(Cl)cc1)C(F)(F)F ZINC000730281442 673268659 /nfs/dbraw/zinc/26/86/59/673268659.db2.gz KMVFSWQSBPRHSC-HOCLYGCPSA-N 1 2 374.790 2.304 20 30 FEEDLO Cc1sc(NC(=O)C[N@@H+]2CC[C@@H](CN3CCCC3=O)C2)c(C#N)c1C ZINC000595828940 673328567 /nfs/dbraw/zinc/32/85/67/673328567.db2.gz NOCCKRUYLXHJHU-CQSZACIVSA-N 1 2 360.483 2.119 20 30 FEEDLO Cc1sc(NC(=O)C[N@H+]2CC[C@@H](CN3CCCC3=O)C2)c(C#N)c1C ZINC000595828940 673328570 /nfs/dbraw/zinc/32/85/70/673328570.db2.gz NOCCKRUYLXHJHU-CQSZACIVSA-N 1 2 360.483 2.119 20 30 FEEDLO C[C@@H]1C[N@H+](C[C@H](O)COc2ccc(C#N)cc2)C[C@H](CC(F)(F)F)O1 ZINC000595891313 673335809 /nfs/dbraw/zinc/33/58/09/673335809.db2.gz POVHJDJSVTZYKO-INWMFGNUSA-N 1 2 358.360 2.340 20 30 FEEDLO C[C@@H]1C[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)C[C@H](CC(F)(F)F)O1 ZINC000595891313 673335812 /nfs/dbraw/zinc/33/58/12/673335812.db2.gz POVHJDJSVTZYKO-INWMFGNUSA-N 1 2 358.360 2.340 20 30 FEEDLO CN1CC[N@H+](Cc2ccccc2)[C@H](CNc2nc(C#N)c(Cl)s2)C1 ZINC000596550111 673393247 /nfs/dbraw/zinc/39/32/47/673393247.db2.gz CPTGLAACDWVJEL-CQSZACIVSA-N 1 2 361.902 2.896 20 30 FEEDLO CN1CC[N@@H+](Cc2ccccc2)[C@H](CNc2nc(C#N)c(Cl)s2)C1 ZINC000596550111 673393251 /nfs/dbraw/zinc/39/32/51/673393251.db2.gz CPTGLAACDWVJEL-CQSZACIVSA-N 1 2 361.902 2.896 20 30 FEEDLO C[N@@H+]1CCO[C@H]([C@@H](NC(=O)NCCCC#N)c2ccc(Cl)cc2)C1 ZINC000543335827 673640213 /nfs/dbraw/zinc/64/02/13/673640213.db2.gz KTPVCMYRPLPRNR-HOTGVXAUSA-N 1 2 350.850 2.315 20 30 FEEDLO C[N@H+]1CCO[C@H]([C@@H](NC(=O)NCCCC#N)c2ccc(Cl)cc2)C1 ZINC000543335827 673640215 /nfs/dbraw/zinc/64/02/15/673640215.db2.gz KTPVCMYRPLPRNR-HOTGVXAUSA-N 1 2 350.850 2.315 20 30 FEEDLO COC(=O)C[C@@H]1CSCC[N@@H+]1Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000740855535 673657465 /nfs/dbraw/zinc/65/74/65/673657465.db2.gz UTOMOBLBGPVTLZ-MRXNPFEDSA-N 1 2 356.451 2.360 20 30 FEEDLO COC(=O)C[C@@H]1CSCC[N@H+]1Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000740855535 673657467 /nfs/dbraw/zinc/65/74/67/673657467.db2.gz UTOMOBLBGPVTLZ-MRXNPFEDSA-N 1 2 356.451 2.360 20 30 FEEDLO C[C@]1(C#N)CCCN(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)C1 ZINC000601648974 673890876 /nfs/dbraw/zinc/89/08/76/673890876.db2.gz VIYMXNGFNLKQOT-GOSISDBHSA-N 1 2 359.499 2.470 20 30 FEEDLO C[N@H+](CCCOc1cccc(S(C)(=O)=O)c1)Cc1cccc(C#N)n1 ZINC000602455763 673906324 /nfs/dbraw/zinc/90/63/24/673906324.db2.gz UJVGGDQPLNKGER-UHFFFAOYSA-N 1 2 359.451 2.258 20 30 FEEDLO C[N@@H+](CCCOc1cccc(S(C)(=O)=O)c1)Cc1cccc(C#N)n1 ZINC000602455763 673906325 /nfs/dbraw/zinc/90/63/25/673906325.db2.gz UJVGGDQPLNKGER-UHFFFAOYSA-N 1 2 359.451 2.258 20 30 FEEDLO CC[N@@H+]1CCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)C[C@@H]1C ZINC000619000213 676359609 /nfs/dbraw/zinc/35/96/09/676359609.db2.gz MUDYUQPWGLIJLN-NSHDSACASA-N 1 2 372.288 2.035 20 30 FEEDLO CC[N@H+]1CCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)C[C@@H]1C ZINC000619000213 676359612 /nfs/dbraw/zinc/35/96/12/676359612.db2.gz MUDYUQPWGLIJLN-NSHDSACASA-N 1 2 372.288 2.035 20 30 FEEDLO C[C@H]([C@H](C)NC(=O)NCc1ccc(C#N)c(Cl)c1)[NH+]1CCOCC1 ZINC000619758851 676393775 /nfs/dbraw/zinc/39/37/75/676393775.db2.gz PXTAPNPINWKTIY-QWHCGFSZSA-N 1 2 350.850 2.120 20 30 FEEDLO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000662087503 678575515 /nfs/dbraw/zinc/57/55/15/678575515.db2.gz ANBJSQKAEHPLDK-TXEJJXNPSA-N 1 2 369.874 2.109 20 30 FEEDLO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000662087503 678575519 /nfs/dbraw/zinc/57/55/19/678575519.db2.gz ANBJSQKAEHPLDK-TXEJJXNPSA-N 1 2 369.874 2.109 20 30 FEEDLO C=C(Br)C[N@@H+]1CC[C@@]2(NC(=O)[C@]34C[C@H]3COC4)CCC[C@H]12 ZINC000990786448 680072833 /nfs/dbraw/zinc/07/28/33/680072833.db2.gz BXCYZZWKFFFNOB-SDADXPQNSA-N 1 2 355.276 2.045 20 30 FEEDLO C=C(Br)C[N@H+]1CC[C@@]2(NC(=O)[C@]34C[C@H]3COC4)CCC[C@H]12 ZINC000990786448 680072838 /nfs/dbraw/zinc/07/28/38/680072838.db2.gz BXCYZZWKFFFNOB-SDADXPQNSA-N 1 2 355.276 2.045 20 30 FEEDLO C=C(Br)C[N@@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)C1 ZINC000982028662 680264120 /nfs/dbraw/zinc/26/41/20/680264120.db2.gz IQSSAUOGOGAUKG-KFWWJZLASA-N 1 2 369.303 2.387 20 30 FEEDLO C=C(Br)C[N@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)C1 ZINC000982028662 680264122 /nfs/dbraw/zinc/26/41/22/680264122.db2.gz IQSSAUOGOGAUKG-KFWWJZLASA-N 1 2 369.303 2.387 20 30 FEEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F ZINC001024509729 680294768 /nfs/dbraw/zinc/29/47/68/680294768.db2.gz ZDZOAZHJMYUSPP-XQQFMLRXSA-N 1 2 370.799 2.056 20 30 FEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F ZINC001024509729 680294771 /nfs/dbraw/zinc/29/47/71/680294771.db2.gz ZDZOAZHJMYUSPP-XQQFMLRXSA-N 1 2 370.799 2.056 20 30 FEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1OCC[C@@H]1Cn1cccn1 ZINC001024708074 680301421 /nfs/dbraw/zinc/30/14/21/680301421.db2.gz UGICWGLDSDDKRM-BRWVUGGUSA-N 1 2 366.893 2.011 20 30 FEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1OCC[C@@H]1Cn1cccn1 ZINC001024708074 680301425 /nfs/dbraw/zinc/30/14/25/680301425.db2.gz UGICWGLDSDDKRM-BRWVUGGUSA-N 1 2 366.893 2.011 20 30 FEEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCO[C@H]1c1cnn(C)c1 ZINC001027939114 680364388 /nfs/dbraw/zinc/36/43/88/680364388.db2.gz HLSUPERPSBPXIU-BBWFWOEESA-N 1 2 366.893 2.221 20 30 FEEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCO[C@H]1c1cnn(C)c1 ZINC001027939114 680364390 /nfs/dbraw/zinc/36/43/90/680364390.db2.gz HLSUPERPSBPXIU-BBWFWOEESA-N 1 2 366.893 2.221 20 30 FEEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1OCCO[C@@H]1c1ccccc1 ZINC001027942612 680365991 /nfs/dbraw/zinc/36/59/91/680365991.db2.gz GGZSGUSIADOATK-RCCFBDPRSA-N 1 2 364.873 2.476 20 30 FEEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1OCCO[C@@H]1c1ccccc1 ZINC001027942612 680365998 /nfs/dbraw/zinc/36/59/98/680365998.db2.gz GGZSGUSIADOATK-RCCFBDPRSA-N 1 2 364.873 2.476 20 30 FEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C1 ZINC001033875326 680426971 /nfs/dbraw/zinc/42/69/71/680426971.db2.gz QLEIZUKAXKOJTO-UPJWGTAASA-N 1 2 370.799 2.008 20 30 FEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C1 ZINC001033875326 680426974 /nfs/dbraw/zinc/42/69/74/680426974.db2.gz QLEIZUKAXKOJTO-UPJWGTAASA-N 1 2 370.799 2.008 20 30 FEEDLO Fc1ccc(-n2cc(C=NNC3=[NH+][C@@H]4CCCC[C@@H]4N3)nn2)c(Cl)c1 ZINC000755816163 680438579 /nfs/dbraw/zinc/43/85/79/680438579.db2.gz YKDVPXCEXGIVLX-OKILXGFUSA-N 1 2 361.812 2.254 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC1(C)CC[NH+]([C@H](C)c2nnc(C)s2)CC1 ZINC001045564139 680634789 /nfs/dbraw/zinc/63/47/89/680634789.db2.gz WJKVZYUIHRVHHU-YUELXQCFSA-N 1 2 364.515 2.469 20 30 FEEDLO N#Cc1cnc(N[C@@H]2CCCC[C@H]2NC(=O)Cc2[nH]cc[nH+]2)c(Cl)c1 ZINC001045574975 680635471 /nfs/dbraw/zinc/63/54/71/680635471.db2.gz LDKZJPFFWFJWNA-ZIAGYGMSSA-N 1 2 358.833 2.412 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cnns1 ZINC001045862930 680641435 /nfs/dbraw/zinc/64/14/35/680641435.db2.gz CRDCSNXZOHFBCR-OHFALNGGSA-N 1 2 362.499 2.085 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cnns1 ZINC001045862930 680641438 /nfs/dbraw/zinc/64/14/38/680641438.db2.gz CRDCSNXZOHFBCR-OHFALNGGSA-N 1 2 362.499 2.085 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@]1(C)CC[N@@H+](Cc2csnc2OC)C1 ZINC001046327948 680646578 /nfs/dbraw/zinc/64/65/78/680646578.db2.gz SXDOAVPVBZEKEG-VKJFTORMSA-N 1 2 365.499 2.214 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@]1(C)CC[N@H+](Cc2csnc2OC)C1 ZINC001046327948 680646583 /nfs/dbraw/zinc/64/65/83/680646583.db2.gz SXDOAVPVBZEKEG-VKJFTORMSA-N 1 2 365.499 2.214 20 30 FEEDLO C[C@]1(NC(=O)[C@]23C[C@H]2COC3)CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC001046331957 680647084 /nfs/dbraw/zinc/64/70/84/680647084.db2.gz AZSVAWVLDYTTPD-VDGAXYAQSA-N 1 2 358.869 2.309 20 30 FEEDLO C[C@]1(NC(=O)[C@]23C[C@H]2COC3)CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC001046331957 680647088 /nfs/dbraw/zinc/64/70/88/680647088.db2.gz AZSVAWVLDYTTPD-VDGAXYAQSA-N 1 2 358.869 2.309 20 30 FEEDLO C#CC[C@H]([NH2+][C@@H]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1)C(=O)OC ZINC000843411220 681002541 /nfs/dbraw/zinc/00/25/41/681002541.db2.gz JOVOHZHKILOBNS-JONQDZQNSA-N 1 2 350.459 2.177 20 30 FEEDLO C=C(Cl)CN1CC[NH+]([C@H]2CCN(C(=O)C[C@@H]3C[C@H]3C3CC3)C2)CC1 ZINC001052055969 681070831 /nfs/dbraw/zinc/07/08/31/681070831.db2.gz RNARPWXRDYFMND-BZSNNMDCSA-N 1 2 351.922 2.394 20 30 FEEDLO C=C(Cl)CN1CC[NH+]([C@@H]2CCN(C(=O)C[C@@H]3C[C@H]3C3CC3)C2)CC1 ZINC001052055970 681071016 /nfs/dbraw/zinc/07/10/16/681071016.db2.gz RNARPWXRDYFMND-KSZLIROESA-N 1 2 351.922 2.394 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2nn(C)cc2Cl)CC1 ZINC001052723434 681084464 /nfs/dbraw/zinc/08/44/64/681084464.db2.gz RSELHJZIVLBKEG-CPUCHLNUSA-N 1 2 366.893 2.135 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2nn(C)cc2Cl)CC1 ZINC001052723434 681084465 /nfs/dbraw/zinc/08/44/65/681084465.db2.gz RSELHJZIVLBKEG-CPUCHLNUSA-N 1 2 366.893 2.135 20 30 FEEDLO C[N@H+](CC(=O)[C@H](C#N)C(=O)Nc1ccccc1Cl)[C@H]1CCSC1 ZINC000773979584 681163222 /nfs/dbraw/zinc/16/32/22/681163222.db2.gz INYMRHLEAKWJBI-RYUDHWBXSA-N 1 2 351.859 2.425 20 30 FEEDLO C[N@@H+](CC(=O)[C@H](C#N)C(=O)Nc1ccccc1Cl)[C@H]1CCSC1 ZINC000773979584 681163223 /nfs/dbraw/zinc/16/32/23/681163223.db2.gz INYMRHLEAKWJBI-RYUDHWBXSA-N 1 2 351.859 2.425 20 30 FEEDLO CC(C)(C)OC[C@H]1CCC[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000932166825 681187291 /nfs/dbraw/zinc/18/72/91/681187291.db2.gz BCPGWWDRLJYEMV-OAHLLOKOSA-N 1 2 351.472 2.006 20 30 FEEDLO CC(C)(C)OC[C@H]1CCC[N@H+]1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000932166825 681187295 /nfs/dbraw/zinc/18/72/95/681187295.db2.gz BCPGWWDRLJYEMV-OAHLLOKOSA-N 1 2 351.472 2.006 20 30 FEEDLO N#Cc1nc(N[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)sc1Cl ZINC001059870747 681187902 /nfs/dbraw/zinc/18/79/02/681187902.db2.gz COUCEOHEVIUORS-UTINFBMNSA-N 1 2 362.846 2.254 20 30 FEEDLO N#Cc1nc(N[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)sc1Cl ZINC001059870747 681187908 /nfs/dbraw/zinc/18/79/08/681187908.db2.gz COUCEOHEVIUORS-UTINFBMNSA-N 1 2 362.846 2.254 20 30 FEEDLO C=CCN(C(=O)C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C)C(C)C ZINC000775086167 681273821 /nfs/dbraw/zinc/27/38/21/681273821.db2.gz TWHXNXTYPUDQHM-INIZCTEOSA-N 1 2 351.878 2.482 20 30 FEEDLO CC(C)(C)OC(=O)N[C@@]1(CO)CCC[N@H+](Cc2ccc(C#N)s2)C1 ZINC000932691884 681288714 /nfs/dbraw/zinc/28/87/14/681288714.db2.gz VIHANMBYMNDPFZ-KRWDZBQOSA-N 1 2 351.472 2.471 20 30 FEEDLO CC(C)(C)OC(=O)N[C@@]1(CO)CCC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC000932691884 681288718 /nfs/dbraw/zinc/28/87/18/681288718.db2.gz VIHANMBYMNDPFZ-KRWDZBQOSA-N 1 2 351.472 2.471 20 30 FEEDLO O=C(C[NH+]1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)N1CCC1 ZINC000932943789 681331988 /nfs/dbraw/zinc/33/19/88/681331988.db2.gz OQPITZXLDLGORJ-HTQZYQBOSA-N 1 2 366.252 2.322 20 30 FEEDLO O=C(C[NH+]1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)NC1CC1 ZINC000932946532 681333003 /nfs/dbraw/zinc/33/30/03/681333003.db2.gz RLVLEQWMCXMUKW-HTQZYQBOSA-N 1 2 366.252 2.368 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CCC[N@H+](Cc2nnc(C)s2)CC1 ZINC000948785621 681597938 /nfs/dbraw/zinc/59/79/38/681597938.db2.gz PEVILNTTWFIEDE-OAGGEKHMSA-N 1 2 364.515 2.251 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CCC[N@@H+](Cc2nnc(C)s2)CC1 ZINC000948785621 681597944 /nfs/dbraw/zinc/59/79/44/681597944.db2.gz PEVILNTTWFIEDE-OAGGEKHMSA-N 1 2 364.515 2.251 20 30 FEEDLO C#CCOc1cccc(Cl)c1CN(CCC#N)CC[NH+]1CCOCC1 ZINC000779148000 681684898 /nfs/dbraw/zinc/68/48/98/681684898.db2.gz KCIRJQDGUNWCTQ-UHFFFAOYSA-N 1 2 361.873 2.400 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3csc(CCC)n3)C[C@H]21 ZINC000961814366 682100041 /nfs/dbraw/zinc/10/00/41/682100041.db2.gz MBSFCGGTOKZIAS-LFRCEIEQSA-N 1 2 361.511 2.233 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3csc(CCC)n3)C[C@H]21 ZINC000961814366 682100045 /nfs/dbraw/zinc/10/00/45/682100045.db2.gz MBSFCGGTOKZIAS-LFRCEIEQSA-N 1 2 361.511 2.233 20 30 FEEDLO C#CCCCOc1ccc[nH+]c1NC[C@@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000853616120 682445732 /nfs/dbraw/zinc/44/57/32/682445732.db2.gz SLPGMDOPXFDVST-JKSUJKDBSA-N 1 2 365.499 2.394 20 30 FEEDLO C#C[C@@H](NC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1)C1CCOCC1 ZINC000856111456 682742851 /nfs/dbraw/zinc/74/28/51/682742851.db2.gz SZBOBEGBEOUJAE-RTBURBONSA-N 1 2 358.507 2.321 20 30 FEEDLO C=CCN(CC(=O)OCC)C(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC000793728094 682906512 /nfs/dbraw/zinc/90/65/12/682906512.db2.gz HJNGXPZXKXIXTN-UHFFFAOYSA-N 1 2 351.353 2.201 20 30 FEEDLO CC(C)(C)C[N@H+](CCC#N)C[C@@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1 ZINC000929691862 683627482 /nfs/dbraw/zinc/62/74/82/683627482.db2.gz MXNIWCKXUKCYPM-OAHLLOKOSA-N 1 2 373.563 2.250 20 30 FEEDLO CC(C)(C)C[N@@H+](CCC#N)C[C@@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1 ZINC000929691862 683627487 /nfs/dbraw/zinc/62/74/87/683627487.db2.gz MXNIWCKXUKCYPM-OAHLLOKOSA-N 1 2 373.563 2.250 20 30 FEEDLO CC[C@@](O)(C[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1)C(F)(F)F ZINC000929876521 683650637 /nfs/dbraw/zinc/65/06/37/683650637.db2.gz FMKFNTFPBAZTRJ-OAHLLOKOSA-N 1 2 358.364 2.249 20 30 FEEDLO N#CC[C@@H](O)C[NH+]1CCN(Cc2csc(-c3ccc(F)cc3)n2)CC1 ZINC000929987393 683665837 /nfs/dbraw/zinc/66/58/37/683665837.db2.gz BUVCGRLARWEQEJ-QGZVFWFLSA-N 1 2 360.458 2.341 20 30 FEEDLO CC(=[NH+]N[C@H]1CCCS(=O)(=O)C1)c1cc(Cl)c(N)c(Cl)c1 ZINC000863135191 683681117 /nfs/dbraw/zinc/68/11/17/683681117.db2.gz YGZWGDWPMBLGHH-JTQLQIEISA-N 1 2 350.271 2.466 20 30 FEEDLO C[C@H]([NH2+]CCN(C)S(=O)(=O)c1cccs1)c1cccc(C#N)c1O ZINC000866307712 684090818 /nfs/dbraw/zinc/09/08/18/684090818.db2.gz HNCZLAVCJSCFMQ-LBPRGKRZSA-N 1 2 365.480 2.297 20 30 FEEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2c[nH]c(=NC(=O)OC(C)(C)C)s2)C1 ZINC000923598818 684311547 /nfs/dbraw/zinc/31/15/47/684311547.db2.gz XRGFNINNCRSURW-GFCCVEGCSA-N 1 2 364.471 2.318 20 30 FEEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2c[nH]c(=NC(=O)OC(C)(C)C)s2)C1 ZINC000923598818 684311551 /nfs/dbraw/zinc/31/15/51/684311551.db2.gz XRGFNINNCRSURW-GFCCVEGCSA-N 1 2 364.471 2.318 20 30 FEEDLO C=C[C@](C)(CCOC)C(=O)NC1CC[NH+](CC(=O)OC(C)(C)C)CC1 ZINC000871542476 684827416 /nfs/dbraw/zinc/82/74/16/684827416.db2.gz ILAFQPMKTWQRRW-LJQANCHMSA-N 1 2 354.491 2.138 20 30 FEEDLO C=CC[C@H](C)[NH+]1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000877909758 686480128 /nfs/dbraw/zinc/48/01/28/686480128.db2.gz OAWPCBBJODQYEY-ZDUSSCGKSA-N 1 2 353.444 2.085 20 30 FEEDLO C#CC[N@@H+](Cc1cc(OCC)n2nc(C(F)(F)F)nc2n1)C1CSC1 ZINC000878912143 686688602 /nfs/dbraw/zinc/68/86/02/686688602.db2.gz SWUPDFASTZCTHH-UHFFFAOYSA-N 1 2 371.388 2.092 20 30 FEEDLO C#CC[N@H+](Cc1cc(OCC)n2nc(C(F)(F)F)nc2n1)C1CSC1 ZINC000878912143 686688607 /nfs/dbraw/zinc/68/86/07/686688607.db2.gz SWUPDFASTZCTHH-UHFFFAOYSA-N 1 2 371.388 2.092 20 30 FEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H](C)Cc1ccc(Cl)cc1Cl ZINC000884110640 687791918 /nfs/dbraw/zinc/79/19/18/687791918.db2.gz PDFRBFVSVNKBQM-YGRLFVJLSA-N 1 2 359.253 2.487 20 30 FEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)[C@H](C)c1ccccc1Br ZINC000884329639 687849718 /nfs/dbraw/zinc/84/97/18/687849718.db2.gz RTNAFFQXRRDWDD-RISCZKNCSA-N 1 2 369.259 2.415 20 30 FEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC(c2cccc(F)c2F)CC1 ZINC000884373726 687857379 /nfs/dbraw/zinc/85/73/79/687857379.db2.gz VMDLVPLJESSHHG-HNNXBMFYSA-N 1 2 352.381 2.117 20 30 FEEDLO N#Cc1sc2ccccc2c1S(=O)(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC000903500792 690902233 /nfs/dbraw/zinc/90/22/33/690902233.db2.gz YJEYWNSIVZDSNL-SNVBAGLBSA-N 1 2 357.407 2.001 20 30 FEEDLO N#Cc1ccc(NCC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)nc1 ZINC000497870663 883800435 /nfs/dbraw/zinc/80/04/35/883800435.db2.gz ZRPJNZPIGBAAQD-QPJJXVBHSA-N 1 2 361.449 2.223 20 30 FEEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(Br)s1 ZINC000024598238 539735335 /nfs/dbraw/zinc/73/53/35/539735335.db2.gz GCGYVOSZFPXWNB-SECBINFHSA-N 1 2 360.277 2.343 20 30 FEEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(Br)s1 ZINC000024598238 539735338 /nfs/dbraw/zinc/73/53/38/539735338.db2.gz GCGYVOSZFPXWNB-SECBINFHSA-N 1 2 360.277 2.343 20 30 FEEDLO N#Cc1c(F)cccc1N1CCN(C(=O)Cc2cn3ccccc3[nH+]2)CC1 ZINC000026023073 539775088 /nfs/dbraw/zinc/77/50/88/539775088.db2.gz DGHMYJNZJQVSEF-UHFFFAOYSA-N 1 2 363.396 2.236 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@@H+]1CCCN(C(=O)c2ccccc2)CC1 ZINC000029707325 539862140 /nfs/dbraw/zinc/86/21/40/539862140.db2.gz ADCFCPYHLJSJCA-UWJYYQICSA-N 1 2 370.497 2.277 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@H+]1CCCN(C(=O)c2ccccc2)CC1 ZINC000029707325 539862143 /nfs/dbraw/zinc/86/21/43/539862143.db2.gz ADCFCPYHLJSJCA-UWJYYQICSA-N 1 2 370.497 2.277 20 30 FEEDLO CO/N=C/c1ccc(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)cc1 ZINC000030229646 539876267 /nfs/dbraw/zinc/87/62/67/539876267.db2.gz SDBJUSUFCAICEC-VRMLFSPKSA-N 1 2 367.449 2.470 20 30 FEEDLO Cc1csc(CCNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000045681798 540221320 /nfs/dbraw/zinc/22/13/20/540221320.db2.gz JIVKOKWRVHUYNN-UHFFFAOYSA-N 1 2 369.494 2.393 20 30 FEEDLO N#Cc1ccccc1N1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000047138729 540291753 /nfs/dbraw/zinc/29/17/53/540291753.db2.gz BPBOYOGCCSOYIM-UHFFFAOYSA-N 1 2 372.432 2.491 20 30 FEEDLO N#CCOc1cccc(NC(=O)NCc2ccc[nH+]c2N2CCOCC2)c1 ZINC000048510505 540365258 /nfs/dbraw/zinc/36/52/58/540365258.db2.gz PJYQNYOIRJYNJM-UHFFFAOYSA-N 1 2 367.409 2.142 20 30 FEEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)c1C#N ZINC000534981015 540433723 /nfs/dbraw/zinc/43/37/23/540433723.db2.gz YYFUDMKDOJOXLM-UHFFFAOYSA-N 1 2 367.369 2.075 20 30 FEEDLO N#CC1CC[NH+](CC(=O)Nc2ccc(I)cc2)CC1 ZINC000057907467 540823203 /nfs/dbraw/zinc/82/32/03/540823203.db2.gz XLZMTTAOHLHVDG-UHFFFAOYSA-N 1 2 369.206 2.465 20 30 FEEDLO CC[C@H](C)n1[nH]c(=NC(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1C ZINC000538355168 540846590 /nfs/dbraw/zinc/84/65/90/540846590.db2.gz GIIYMZJHFZMVPA-HNNXBMFYSA-N 1 2 362.478 2.242 20 30 FEEDLO CCN(CC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1)C[C@@H](C)C#N ZINC000064248935 541196884 /nfs/dbraw/zinc/19/68/84/541196884.db2.gz UMYMAUOXRFOTOH-INIZCTEOSA-N 1 2 372.517 2.039 20 30 FEEDLO N#Cc1cccnc1N1CCC[N@@H+](CC(=O)Nc2ccc(F)cc2F)CC1 ZINC000064634453 541214266 /nfs/dbraw/zinc/21/42/66/541214266.db2.gz NWZWIEGFQXCXEL-UHFFFAOYSA-N 1 2 371.391 2.382 20 30 FEEDLO N#Cc1cccnc1N1CCC[N@H+](CC(=O)Nc2ccc(F)cc2F)CC1 ZINC000064634453 541214269 /nfs/dbraw/zinc/21/42/69/541214269.db2.gz NWZWIEGFQXCXEL-UHFFFAOYSA-N 1 2 371.391 2.382 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCCc3cccc(O)c3)CC2)cc1 ZINC000066234544 541292829 /nfs/dbraw/zinc/29/28/29/541292829.db2.gz LOYDZTPSXCBCTF-UHFFFAOYSA-N 1 2 364.449 2.334 20 30 FEEDLO C[C@H](OC[C@@H]1CCCCO1)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000066308120 541299837 /nfs/dbraw/zinc/29/98/37/541299837.db2.gz JHALLKAKLSMDIO-PXNSSMCTSA-N 1 2 371.481 2.177 20 30 FEEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCCn1cc[nH+]c1 ZINC000066982648 541403018 /nfs/dbraw/zinc/40/30/18/541403018.db2.gz OXHZYFZEMYEKQC-CYBMUJFWSA-N 1 2 357.439 2.032 20 30 FEEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCCCn1cc[nH+]c1 ZINC000066981101 541403048 /nfs/dbraw/zinc/40/30/48/541403048.db2.gz ZTQHUMRTQTVHOO-AWEZNQCLSA-N 1 2 371.466 2.422 20 30 FEEDLO N#Cc1ccc(NCC(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)cc1 ZINC000068351426 541580734 /nfs/dbraw/zinc/58/07/34/541580734.db2.gz IHSQBRVABZUIOO-FQEVSTJZSA-N 1 2 364.449 2.160 20 30 FEEDLO N#Cc1ccc(NCC(=O)Nc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000068435775 541591279 /nfs/dbraw/zinc/59/12/79/541591279.db2.gz AQNAYFCRXOPMFF-UHFFFAOYSA-N 1 2 350.422 2.441 20 30 FEEDLO N#Cc1ccc(N2CCC[C@@H](NC(=O)NCCCn3cc[nH+]c3)C2)c(F)c1 ZINC000069376752 541681809 /nfs/dbraw/zinc/68/18/09/541681809.db2.gz IZRXDHRNMKFNHM-MRXNPFEDSA-N 1 2 370.432 2.252 20 30 FEEDLO CC[C@@H]1C[N@H+](CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)CCS1 ZINC000072861292 541883653 /nfs/dbraw/zinc/88/36/53/541883653.db2.gz QDZTWCHXVPFPJU-OCCSQVGLSA-N 1 2 356.451 2.339 20 30 FEEDLO CC[C@@H]1C[N@@H+](CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)CCS1 ZINC000072861292 541883655 /nfs/dbraw/zinc/88/36/55/541883655.db2.gz QDZTWCHXVPFPJU-OCCSQVGLSA-N 1 2 356.451 2.339 20 30 FEEDLO CC(C)C(=O)NC1CC[NH+](Cc2nnc(-c3ccc(C#N)cc3)o2)CC1 ZINC000075626873 542193442 /nfs/dbraw/zinc/19/34/42/542193442.db2.gz KJRMNPBKCQGRFR-UHFFFAOYSA-N 1 2 353.426 2.345 20 30 FEEDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(c2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000077908638 542431448 /nfs/dbraw/zinc/43/14/48/542431448.db2.gz ZRSVFUDFFDDLGI-LBPRGKRZSA-N 1 2 366.387 2.366 20 30 FEEDLO COc1ccc(Cl)c(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000078525541 542466117 /nfs/dbraw/zinc/46/61/17/542466117.db2.gz AYHUCFJBSQYZBI-UHFFFAOYSA-N 1 2 366.849 2.428 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCC(C(=O)c2ccc(O)cc2)CC1 ZINC000078657567 542474137 /nfs/dbraw/zinc/47/41/37/542474137.db2.gz SSMGBVFWSALGET-FQEVSTJZSA-N 1 2 357.454 2.341 20 30 FEEDLO CC(=O)NC(C)(C)C(N)=[NH+]OCCOc1cccc(Br)c1 ZINC000078670442 542475360 /nfs/dbraw/zinc/47/53/60/542475360.db2.gz INCIGQXDCCYVPC-UHFFFAOYSA-N 1 2 358.236 2.031 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccn(-c2cccc(F)c2)n1 ZINC000081158134 542636381 /nfs/dbraw/zinc/63/63/81/542636381.db2.gz OOCFCFQNFNENMA-UHFFFAOYSA-N 1 2 357.433 2.059 20 30 FEEDLO N#CCSc1ccccc1NC(=O)C[NH+]1CCC(c2nnc[nH]2)CC1 ZINC000083424266 542697521 /nfs/dbraw/zinc/69/75/21/542697521.db2.gz DDXFZFXYNOBABZ-UHFFFAOYSA-N 1 2 356.455 2.238 20 30 FEEDLO N#CCOc1cccc(CC(=O)NCc2ccc(N3CCCC3)[nH+]c2)c1 ZINC000089698961 542769354 /nfs/dbraw/zinc/76/93/54/542769354.db2.gz PDYFGJSNJSRFES-UHFFFAOYSA-N 1 2 350.422 2.443 20 30 FEEDLO C=CC[N@H+](Cc1ccc(Oc2cnccn2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361614 542859852 /nfs/dbraw/zinc/85/98/52/542859852.db2.gz UIOBWLAGMOKBHI-MRXNPFEDSA-N 1 2 359.451 2.444 20 30 FEEDLO C=CC[N@@H+](Cc1ccc(Oc2cnccn2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361614 542859854 /nfs/dbraw/zinc/85/98/54/542859854.db2.gz UIOBWLAGMOKBHI-MRXNPFEDSA-N 1 2 359.451 2.444 20 30 FEEDLO CCOc1ccccc1C[N@H+](C)CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 ZINC000092617631 542875868 /nfs/dbraw/zinc/87/58/68/542875868.db2.gz MCNAROWLPPZKEM-LJQANCHMSA-N 1 2 372.513 2.209 20 30 FEEDLO CCOc1ccccc1C[N@@H+](C)CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 ZINC000092617631 542875872 /nfs/dbraw/zinc/87/58/72/542875872.db2.gz MCNAROWLPPZKEM-LJQANCHMSA-N 1 2 372.513 2.209 20 30 FEEDLO CC[N@H+](CCS(C)(=O)=O)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000093815918 542941573 /nfs/dbraw/zinc/94/15/73/542941573.db2.gz LUAHAIKIAKMBOK-UHFFFAOYSA-N 1 2 360.483 2.330 20 30 FEEDLO CC[N@@H+](CCS(C)(=O)=O)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000093815918 542941575 /nfs/dbraw/zinc/94/15/75/542941575.db2.gz LUAHAIKIAKMBOK-UHFFFAOYSA-N 1 2 360.483 2.330 20 30 FEEDLO CSc1[nH]c(=O)c(C(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1C#N ZINC000097681002 543014563 /nfs/dbraw/zinc/01/45/63/543014563.db2.gz AYFFZFATCBJEKI-FRRDWIJNSA-N 1 2 362.499 2.477 20 30 FEEDLO CSc1[nH]c(=O)c(C(=O)N[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1C#N ZINC000097681002 543014566 /nfs/dbraw/zinc/01/45/66/543014566.db2.gz AYFFZFATCBJEKI-FRRDWIJNSA-N 1 2 362.499 2.477 20 30 FEEDLO CCOc1ccc(C[NH+]2CCN(S(=O)(=O)CCCCC#N)CC2)cc1 ZINC000104109184 543123464 /nfs/dbraw/zinc/12/34/64/543123464.db2.gz FHVDBJNKHNVVNY-UHFFFAOYSA-N 1 2 365.499 2.227 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000104715726 543138502 /nfs/dbraw/zinc/13/85/02/543138502.db2.gz HQEHPWSZEJUUNF-HXUWFJFHSA-N 1 2 354.454 2.456 20 30 FEEDLO CNC(=O)[C@H]1CCCC[N@@H+]1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000104950507 543152162 /nfs/dbraw/zinc/15/21/62/543152162.db2.gz NLFNHNLOSPWMSV-MRXNPFEDSA-N 1 2 362.861 2.187 20 30 FEEDLO CNC(=O)[C@H]1CCCC[N@H+]1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000104950507 543152163 /nfs/dbraw/zinc/15/21/63/543152163.db2.gz NLFNHNLOSPWMSV-MRXNPFEDSA-N 1 2 362.861 2.187 20 30 FEEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000106868701 543251417 /nfs/dbraw/zinc/25/14/17/543251417.db2.gz HURUPXUTJXIERM-ZFWWWQNUSA-N 1 2 358.442 2.484 20 30 FEEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000106868701 543251420 /nfs/dbraw/zinc/25/14/20/543251420.db2.gz HURUPXUTJXIERM-ZFWWWQNUSA-N 1 2 358.442 2.484 20 30 FEEDLO COC(=O)[C@@H]1CCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000112627921 543454478 /nfs/dbraw/zinc/45/44/78/543454478.db2.gz RUVQWOXBYNJUNW-AWEZNQCLSA-N 1 2 361.467 2.465 20 30 FEEDLO COC(=O)[C@@H]1CCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000112627921 543454480 /nfs/dbraw/zinc/45/44/80/543454480.db2.gz RUVQWOXBYNJUNW-AWEZNQCLSA-N 1 2 361.467 2.465 20 30 FEEDLO CNS(=O)(=O)C1CC[NH+](Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000552113630 674188510 /nfs/dbraw/zinc/18/85/10/674188510.db2.gz BGGGFSIOAFGJIE-UHFFFAOYSA-N 1 2 361.389 2.091 20 30 FEEDLO Cc1nc(CC(N)=[NH+]OCC(=O)N(C)Cc2ccc(F)cc2)cs1 ZINC000121048967 543688536 /nfs/dbraw/zinc/68/85/36/543688536.db2.gz XJBBQLQNORJGFQ-UHFFFAOYSA-N 1 2 350.419 2.081 20 30 FEEDLO COc1cc(CN2CC(=O)C(=C3N(C)c4ccccc4N3C)C2=[NH2+])ccn1 ZINC000119264543 543665624 /nfs/dbraw/zinc/66/56/24/543665624.db2.gz QTHIDFGKAOVHPM-UHFFFAOYSA-N 1 2 363.421 2.250 20 30 FEEDLO C=CCCOCCNC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1 ZINC000122475522 543707115 /nfs/dbraw/zinc/70/71/15/543707115.db2.gz ABUMIYBXJJKDEQ-HZPDHXFCSA-N 1 2 362.474 2.087 20 30 FEEDLO C=C[C@H](CC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1)c1ccccc1 ZINC000123697117 543777992 /nfs/dbraw/zinc/77/79/92/543777992.db2.gz QWAMGRXDABYYMH-GOSISDBHSA-N 1 2 355.482 2.113 20 30 FEEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)c3cccc(Nc4ccc(C#N)cc4)c3)C[C@@H]21 ZINC000124208687 543807280 /nfs/dbraw/zinc/80/72/80/543807280.db2.gz BSNPGSODPKXXAH-PMACEKPBSA-N 1 2 362.433 2.457 20 30 FEEDLO C[N@H+]1CCO[C@H]2CN(C(=O)c3cccc(Nc4ccc(C#N)cc4)c3)C[C@@H]21 ZINC000124208687 543807281 /nfs/dbraw/zinc/80/72/81/543807281.db2.gz BSNPGSODPKXXAH-PMACEKPBSA-N 1 2 362.433 2.457 20 30 FEEDLO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000126139236 543920539 /nfs/dbraw/zinc/92/05/39/543920539.db2.gz JEUBICOLXXBKCH-ACJLOTCBSA-N 1 2 367.453 2.102 20 30 FEEDLO COc1ccccc1C[NH+]1CCN(C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000127399915 543990778 /nfs/dbraw/zinc/99/07/78/543990778.db2.gz SOLBXWNSRYDIFD-FQEVSTJZSA-N 1 2 351.450 2.418 20 30 FEEDLO COc1ccccc1C[NH+]1CCN(C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000127400142 543990876 /nfs/dbraw/zinc/99/08/76/543990876.db2.gz SOLBXWNSRYDIFD-HXUWFJFHSA-N 1 2 351.450 2.418 20 30 FEEDLO CSc1[nH]c(=O)c(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1C#N ZINC000127647082 544005706 /nfs/dbraw/zinc/00/57/06/544005706.db2.gz VECSJJDYYMESFD-MLGOLLRUSA-N 1 2 372.494 2.057 20 30 FEEDLO CSc1[nH]c(=O)c(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1C#N ZINC000127647082 544005709 /nfs/dbraw/zinc/00/57/09/544005709.db2.gz VECSJJDYYMESFD-MLGOLLRUSA-N 1 2 372.494 2.057 20 30 FEEDLO COc1cc2c(cc1OC)C[N@H+](CCNC(=O)c1sccc1C#N)CC2 ZINC000128944428 544081762 /nfs/dbraw/zinc/08/17/62/544081762.db2.gz ZYRDKXHCFOKOAZ-UHFFFAOYSA-N 1 2 371.462 2.425 20 30 FEEDLO COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)c1sccc1C#N)CC2 ZINC000128944428 544081764 /nfs/dbraw/zinc/08/17/64/544081764.db2.gz ZYRDKXHCFOKOAZ-UHFFFAOYSA-N 1 2 371.462 2.425 20 30 FEEDLO COc1ccc(NCc2c[nH+]c3ccc(C#N)cn23)cc1-n1nnnc1C ZINC000128428956 544052416 /nfs/dbraw/zinc/05/24/16/544052416.db2.gz NGSOSPCKUUKDLY-UHFFFAOYSA-N 1 2 360.381 2.111 20 30 FEEDLO C=CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc3ccccc3c2)C1 ZINC000129644413 544121797 /nfs/dbraw/zinc/12/17/97/544121797.db2.gz YGFGDCDPTYJZJK-LJQANCHMSA-N 1 2 351.450 2.336 20 30 FEEDLO C=CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)c2ccc3ccccc3c2)C1 ZINC000129644413 544121799 /nfs/dbraw/zinc/12/17/99/544121799.db2.gz YGFGDCDPTYJZJK-LJQANCHMSA-N 1 2 351.450 2.336 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)CCCc1ccc(F)c(F)c1 ZINC000131000307 544173482 /nfs/dbraw/zinc/17/34/82/544173482.db2.gz SYKKRPOCAMRSFV-UHFFFAOYSA-N 1 2 365.424 2.362 20 30 FEEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[NH+]1CCC(OC[C@@H]2CCOC2)CC1 ZINC000131792237 544206951 /nfs/dbraw/zinc/20/69/51/544206951.db2.gz XCSNBRKQMNEREX-VQIMIIECSA-N 1 2 358.438 2.290 20 30 FEEDLO CN(CCCn1cc[nH+]c1)S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000134543603 544312390 /nfs/dbraw/zinc/31/23/90/544312390.db2.gz IEORSVZBKPFXPA-UHFFFAOYSA-N 1 2 372.372 2.484 20 30 FEEDLO Cn1ncc2c1ncnc2N1CC[NH+](CC#Cc2ccccc2Cl)CC1 ZINC000134958785 544329356 /nfs/dbraw/zinc/32/93/56/544329356.db2.gz ISFDWXHZNHIBBS-UHFFFAOYSA-N 1 2 366.856 2.190 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c(Cl)c1 ZINC000180202588 327676158 /nfs/dbraw/zinc/67/61/58/327676158.db2.gz CHZXGTATTIQIPS-CYBMUJFWSA-N 1 2 362.842 2.164 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)NCc2[nH+]ccn2CCc2ccccc2)cc1 ZINC000181723043 327743646 /nfs/dbraw/zinc/74/36/46/327743646.db2.gz PNJUECYGHODLEJ-UHFFFAOYSA-N 1 2 366.446 2.476 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)NCCc2cn3ccccc3[nH+]2)c(Cl)c1 ZINC000183453548 327819010 /nfs/dbraw/zinc/81/90/10/327819010.db2.gz GPHMVVPPWNHHJX-UHFFFAOYSA-N 1 2 360.826 2.380 20 30 FEEDLO C[N@@H+]1CCN(c2nc(Cl)c(C#N)s2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000804554870 674292110 /nfs/dbraw/zinc/29/21/10/674292110.db2.gz ILUWRLGSUNXSBF-JTQLQIEISA-N 1 2 371.894 2.313 20 30 FEEDLO C[N@H+]1CCN(c2nc(Cl)c(C#N)s2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000804554870 674292114 /nfs/dbraw/zinc/29/21/14/674292114.db2.gz ILUWRLGSUNXSBF-JTQLQIEISA-N 1 2 371.894 2.313 20 30 FEEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCSC[C@H]1c1cnn(C)c1 ZINC000191218450 328254497 /nfs/dbraw/zinc/25/44/97/328254497.db2.gz CMKFBMBVDBPFCW-INIZCTEOSA-N 1 2 358.467 2.469 20 30 FEEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCSC[C@H]1c1cnn(C)c1 ZINC000191218450 328254499 /nfs/dbraw/zinc/25/44/99/328254499.db2.gz CMKFBMBVDBPFCW-INIZCTEOSA-N 1 2 358.467 2.469 20 30 FEEDLO COc1ccc(CCC(=O)N2CC[NH+](Cc3cc(C#N)n(C)c3)CC2)cc1 ZINC000191277386 328257805 /nfs/dbraw/zinc/25/78/05/328257805.db2.gz FSFWTTFLHDSAII-UHFFFAOYSA-N 1 2 366.465 2.182 20 30 FEEDLO Cn1cc[nH+]c1[C@@H](NS(=O)(=O)c1ccccc1C#N)c1cccc(F)c1 ZINC000017521966 324389137 /nfs/dbraw/zinc/38/91/37/324389137.db2.gz VYGFTDWVIRIKER-KRWDZBQOSA-N 1 2 370.409 2.499 20 30 FEEDLO CCO[C@@H](C)c1noc(CN2CC[NH+](Cc3cccc(C#N)c3)CC2)n1 ZINC000075916137 324909392 /nfs/dbraw/zinc/90/93/92/324909392.db2.gz FYQOHLADTSSDSZ-HNNXBMFYSA-N 1 2 355.442 2.357 20 30 FEEDLO C[NH+](C)Cc1nc(C(C)(C)NC(=O)CSc2ccc(C#N)cc2)no1 ZINC000103002656 325503422 /nfs/dbraw/zinc/50/34/22/325503422.db2.gz SLSSPDAJZPKVRE-UHFFFAOYSA-N 1 2 359.455 2.146 20 30 FEEDLO CSc1[nH]c(=O)c(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)cc1C#N ZINC000116467120 326017102 /nfs/dbraw/zinc/01/71/02/326017102.db2.gz ULNQHPOOIWABRL-ZDUSSCGKSA-N 1 2 350.488 2.065 20 30 FEEDLO Cc1[nH+]c2ccccc2n1CCC(=O)N1CCN(c2ncccc2C#N)CC1 ZINC000121283198 326327093 /nfs/dbraw/zinc/32/70/93/326327093.db2.gz NZBPDFRXCCVSER-UHFFFAOYSA-N 1 2 374.448 2.350 20 30 FEEDLO Cc1oc(NC(=O)C[NH+]2CCC(OC[C@H]3CCOC3)CC2)c(C#N)c1C ZINC000131705794 326580294 /nfs/dbraw/zinc/58/02/94/326580294.db2.gz WFLQJPMIDJWNCO-HNNXBMFYSA-N 1 2 361.442 2.224 20 30 FEEDLO C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(Cc2cc(F)ccc2C#N)CC1 ZINC000158393144 326894485 /nfs/dbraw/zinc/89/44/85/326894485.db2.gz WUEFWDCJGPITDH-MRXNPFEDSA-N 1 2 358.461 2.216 20 30 FEEDLO N#Cc1ccccc1OCC[NH+]1CCN(CC(=O)NC2CCCCC2)CC1 ZINC000171393002 327136372 /nfs/dbraw/zinc/13/63/72/327136372.db2.gz XGWITCLIDIGERE-UHFFFAOYSA-N 1 2 370.497 2.004 20 30 FEEDLO N#Cc1c[nH]c(C(=O)N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)c1 ZINC000175116827 327375212 /nfs/dbraw/zinc/37/52/12/327375212.db2.gz DONLUXMBFSFRTI-UHFFFAOYSA-N 1 2 358.829 2.377 20 30 FEEDLO Cc1c(C#N)cccc1NC(=O)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000178414653 327583641 /nfs/dbraw/zinc/58/36/41/327583641.db2.gz DFUURDKWROEEET-UHFFFAOYSA-N 1 2 363.421 2.117 20 30 FEEDLO CN(CC(=O)NCc1ccc(C#N)cc1)Cc1[nH+]ccn1CC(F)(F)F ZINC000264067621 328989748 /nfs/dbraw/zinc/98/97/48/328989748.db2.gz LSGLYJIMRIDPLA-UHFFFAOYSA-N 1 2 365.359 2.065 20 30 FEEDLO Cc1noc(C)c1CCNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000264460697 329025488 /nfs/dbraw/zinc/02/54/88/329025488.db2.gz RHOCBHMFAXZFGP-UHFFFAOYSA-N 1 2 367.453 2.233 20 30 FEEDLO N#Cc1ccccc1N1CCC[N@@H+]([C@@H]2CCN(CC(F)(F)F)C2=O)CC1 ZINC000264688354 329048733 /nfs/dbraw/zinc/04/87/33/329048733.db2.gz GDLTVDQFYFKOGV-MRXNPFEDSA-N 1 2 366.387 2.234 20 30 FEEDLO N#Cc1ccccc1N1CCC[N@H+]([C@@H]2CCN(CC(F)(F)F)C2=O)CC1 ZINC000264688354 329048734 /nfs/dbraw/zinc/04/87/34/329048734.db2.gz GDLTVDQFYFKOGV-MRXNPFEDSA-N 1 2 366.387 2.234 20 30 FEEDLO N#Cc1cc([N+](=O)[O-])cnc1NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000266450651 329224387 /nfs/dbraw/zinc/22/43/87/329224387.db2.gz WIJLYVRMEOOCJR-KRWDZBQOSA-N 1 2 353.382 2.174 20 30 FEEDLO N#Cc1cc([N+](=O)[O-])cnc1NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000266450651 329224388 /nfs/dbraw/zinc/22/43/88/329224388.db2.gz WIJLYVRMEOOCJR-KRWDZBQOSA-N 1 2 353.382 2.174 20 30 FEEDLO C[C@@H](C(=O)Nc1cccc(F)c1)[NH+]1CCN(c2ccc(C#N)nc2)CC1 ZINC000267373346 329320283 /nfs/dbraw/zinc/32/02/83/329320283.db2.gz KIYFISLODNJORD-AWEZNQCLSA-N 1 2 353.401 2.242 20 30 FEEDLO CC(C)C[C@H](CCO)CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000268035038 329378926 /nfs/dbraw/zinc/37/89/26/329378926.db2.gz WDJXVUJHEDZSKB-FQEVSTJZSA-N 1 2 372.513 2.430 20 30 FEEDLO CCOC(=O)Nc1ccc(NC2CC[NH+](CC(=O)OC)CC2)cc1C#N ZINC000273025324 329830888 /nfs/dbraw/zinc/83/08/88/329830888.db2.gz CUJUVUZPWSOFDH-UHFFFAOYSA-N 1 2 360.414 2.176 20 30 FEEDLO CCC(O)(CC)CCNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000276203926 330128898 /nfs/dbraw/zinc/12/88/98/330128898.db2.gz ACKRYRQFVHFTFP-UHFFFAOYSA-N 1 2 358.486 2.327 20 30 FEEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1C[C@H](O)c1cccc(Cl)c1 ZINC000155555244 545542614 /nfs/dbraw/zinc/54/26/14/545542614.db2.gz NTDWJUPIYBHEMQ-GUYCJALGSA-N 1 2 357.845 2.246 20 30 FEEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1C[C@H](O)c1cccc(Cl)c1 ZINC000155555244 545542617 /nfs/dbraw/zinc/54/26/17/545542617.db2.gz NTDWJUPIYBHEMQ-GUYCJALGSA-N 1 2 357.845 2.246 20 30 FEEDLO CCO[C@H]1CCC[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 ZINC000155999999 545591026 /nfs/dbraw/zinc/59/10/26/545591026.db2.gz RCOZWXMHHRUUBY-KRWDZBQOSA-N 1 2 353.426 2.183 20 30 FEEDLO CCO[C@H]1CCC[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 ZINC000155999999 545591028 /nfs/dbraw/zinc/59/10/28/545591028.db2.gz RCOZWXMHHRUUBY-KRWDZBQOSA-N 1 2 353.426 2.183 20 30 FEEDLO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H]2c2nncn2C)c(OC)c1 ZINC000157162852 545706247 /nfs/dbraw/zinc/70/62/47/545706247.db2.gz CZWZGUCALZYPSS-DLBZAZTESA-N 1 2 372.469 2.129 20 30 FEEDLO C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@H]2c2nncn2C)c(OC)c1 ZINC000157162852 545706255 /nfs/dbraw/zinc/70/62/55/545706255.db2.gz CZWZGUCALZYPSS-DLBZAZTESA-N 1 2 372.469 2.129 20 30 FEEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+](C)CCNC(=O)C(C)C)cc1 ZINC000157453759 545743107 /nfs/dbraw/zinc/74/31/07/545743107.db2.gz SIBRBDZKWDIVPG-KRWDZBQOSA-N 1 2 358.486 2.334 20 30 FEEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+](C)CCNC(=O)C(C)C)cc1 ZINC000157453759 545743112 /nfs/dbraw/zinc/74/31/12/545743112.db2.gz SIBRBDZKWDIVPG-KRWDZBQOSA-N 1 2 358.486 2.334 20 30 FEEDLO Cc1ccc(N(CCC#N)C(=O)C[N@@H+](C)CCNC(=O)C(C)C)cc1C ZINC000157720265 545773707 /nfs/dbraw/zinc/77/37/07/545773707.db2.gz XOAJONOOQZBAPF-UHFFFAOYSA-N 1 2 358.486 2.254 20 30 FEEDLO Cc1ccc(N(CCC#N)C(=O)C[N@H+](C)CCNC(=O)C(C)C)cc1C ZINC000157720265 545773710 /nfs/dbraw/zinc/77/37/10/545773710.db2.gz XOAJONOOQZBAPF-UHFFFAOYSA-N 1 2 358.486 2.254 20 30 FEEDLO N#Cc1ccc(NC(=O)CC[N@@H+]2CCOC[C@@H]2CC(=O)c2ccco2)cc1 ZINC000158206723 545835091 /nfs/dbraw/zinc/83/50/91/545835091.db2.gz WYNMFGJSEONDBE-KRWDZBQOSA-N 1 2 367.405 2.454 20 30 FEEDLO N#Cc1ccc(NC(=O)CC[N@H+]2CCOC[C@@H]2CC(=O)c2ccco2)cc1 ZINC000158206723 545835097 /nfs/dbraw/zinc/83/50/97/545835097.db2.gz WYNMFGJSEONDBE-KRWDZBQOSA-N 1 2 367.405 2.454 20 30 FEEDLO COc1cc2c(cc1C[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)O[C@@H](C)C2 ZINC000158882788 545902446 /nfs/dbraw/zinc/90/24/46/545902446.db2.gz NRJWYERWDROVBS-BUXKBTBVSA-N 1 2 351.406 2.206 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000478209791 561162105 /nfs/dbraw/zinc/16/21/05/561162105.db2.gz MOSUSUYOYJMKRJ-CABCVRRESA-N 1 2 361.408 2.430 20 30 FEEDLO N#Cc1ccc2ncc(C[NH+]3CCN(c4ccccc4[N+](=O)[O-])CC3)n2c1 ZINC000160430506 546040107 /nfs/dbraw/zinc/04/01/07/546040107.db2.gz GGLWOMACQFLGKJ-UHFFFAOYSA-N 1 2 362.393 2.436 20 30 FEEDLO N#Cc1ccc2[nH+]cc(CN3CCN(c4ccccc4[N+](=O)[O-])CC3)n2c1 ZINC000160430506 546040110 /nfs/dbraw/zinc/04/01/10/546040110.db2.gz GGLWOMACQFLGKJ-UHFFFAOYSA-N 1 2 362.393 2.436 20 30 FEEDLO Cn1cc[nH+]c1CN1CCN(C(=O)N[C@H](CCC#N)c2ccccc2)CC1 ZINC000160559971 546050633 /nfs/dbraw/zinc/05/06/33/546050633.db2.gz GROXJTGWQAJBIP-GOSISDBHSA-N 1 2 366.469 2.292 20 30 FEEDLO N#Cc1ccc(C(=O)NCC[NH+]2CCN(c3cccc(Cl)c3)CC2)o1 ZINC000478956029 561178805 /nfs/dbraw/zinc/17/88/05/561178805.db2.gz QMHTVROUVYYDQN-UHFFFAOYSA-N 1 2 358.829 2.357 20 30 FEEDLO C=CCCC[NH+]1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000172173992 546238681 /nfs/dbraw/zinc/23/86/81/546238681.db2.gz VWABLHHUNSMTCE-UHFFFAOYSA-N 1 2 353.444 2.087 20 30 FEEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCN(Cc2ccon2)CC1 ZINC000173630654 546284205 /nfs/dbraw/zinc/28/42/05/546284205.db2.gz KTVNLJYCZAZJAE-KRWDZBQOSA-N 1 2 367.453 2.128 20 30 FEEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH2+]Cc1nnc2n1CCCC2 ZINC000173636271 546284493 /nfs/dbraw/zinc/28/44/93/546284493.db2.gz FIUCZQQZWIQTKQ-CQSZACIVSA-N 1 2 359.499 2.369 20 30 FEEDLO C[C@H]([NH2+]Cc1nnc2n1CCCC2)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000173636072 546284630 /nfs/dbraw/zinc/28/46/30/546284630.db2.gz YNVOWDGESUFYON-AWEZNQCLSA-N 1 2 370.432 2.178 20 30 FEEDLO C#CC[NH+](CC#C)CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000174526148 546298255 /nfs/dbraw/zinc/29/82/55/546298255.db2.gz LQTFTUJHYGZZDR-GOSISDBHSA-N 1 2 352.434 2.080 20 30 FEEDLO CCC[C@@H](C)NC(=O)[C@@H](C)O[NH+]=C(N)c1ccc(-n2nc(C)cc2C)nc1 ZINC000177482642 546627337 /nfs/dbraw/zinc/62/73/37/546627337.db2.gz CUCYMJWTIQBYSZ-IUODEOHRSA-N 1 2 372.473 2.214 20 30 FEEDLO N#Cc1ccc(CNC(=O)CN2CCc3c([nH+]cn3-c3ccccc3)C2)cc1 ZINC000481205876 561227803 /nfs/dbraw/zinc/22/78/03/561227803.db2.gz DHHQEBSKAKNWAW-UHFFFAOYSA-N 1 2 371.444 2.418 20 30 FEEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)c1 ZINC000179502468 546966788 /nfs/dbraw/zinc/96/67/88/546966788.db2.gz GPGZVLDLQZNLIO-HNNXBMFYSA-N 1 2 350.426 2.372 20 30 FEEDLO N#Cc1cccc(NC(=O)C[N@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)c1 ZINC000179502468 546966793 /nfs/dbraw/zinc/96/67/93/546966793.db2.gz GPGZVLDLQZNLIO-HNNXBMFYSA-N 1 2 350.426 2.372 20 30 FEEDLO CCOc1ccc(C#N)cc1NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000180081922 547049027 /nfs/dbraw/zinc/04/90/27/547049027.db2.gz LMLRUMFVQIKKQI-MRXNPFEDSA-N 1 2 358.442 2.285 20 30 FEEDLO Cc1cc(C#N)ccc1S(=O)(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000180156833 547059512 /nfs/dbraw/zinc/05/95/12/547059512.db2.gz BQEGDETXVUYQRY-UHFFFAOYSA-N 1 2 371.462 2.500 20 30 FEEDLO C=CCOc1cccc(C[NH+]2CCN([C@@H](C)C(=O)N3CCCC3)CC2)c1 ZINC000180176557 547063265 /nfs/dbraw/zinc/06/32/65/547063265.db2.gz MUTJEUCZAAQMSO-SFHVURJKSA-N 1 2 357.498 2.380 20 30 FEEDLO C=CCOc1cccc(CN2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)c1 ZINC000180176557 547063269 /nfs/dbraw/zinc/06/32/69/547063269.db2.gz MUTJEUCZAAQMSO-SFHVURJKSA-N 1 2 357.498 2.380 20 30 FEEDLO Cc1oc(NC(=O)[C@@H](C)[NH+]2CCC(O[C@@H]3CCOC3)CC2)c(C#N)c1C ZINC000483056330 561266205 /nfs/dbraw/zinc/26/62/05/561266205.db2.gz ONACXJGJEOOITA-CZUORRHYSA-N 1 2 361.442 2.365 20 30 FEEDLO N#Cc1cc(C(=O)N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)c[nH]1 ZINC000181153997 547259788 /nfs/dbraw/zinc/25/97/88/547259788.db2.gz UVJDWSRZEDQNHO-UHFFFAOYSA-N 1 2 358.829 2.377 20 30 FEEDLO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CCCN(c3ccccn3)CC2)C1=O ZINC000183867038 547731325 /nfs/dbraw/zinc/73/13/25/547731325.db2.gz FNMYMDAWUIKQBK-MRXNPFEDSA-N 1 2 367.478 2.332 20 30 FEEDLO N#Cc1ccsc1N1CC[C@@H]([N@H+]2CCCN(c3ccccn3)CC2)C1=O ZINC000183867038 547731328 /nfs/dbraw/zinc/73/13/28/547731328.db2.gz FNMYMDAWUIKQBK-MRXNPFEDSA-N 1 2 367.478 2.332 20 30 FEEDLO C#CCOc1ccc(F)cc1NC(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000184044647 547759704 /nfs/dbraw/zinc/75/97/04/547759704.db2.gz WQQYWGKTGGBYCB-UHFFFAOYSA-N 1 2 369.400 2.290 20 30 FEEDLO CCc1ccc([C@H](COC)[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)o1 ZINC000184817781 547882409 /nfs/dbraw/zinc/88/24/09/547882409.db2.gz WRRJBAYHNVQRHN-KRWDZBQOSA-N 1 2 362.451 2.465 20 30 FEEDLO C=C(C)C[C@@H](C)C(=O)N1CC[NH+](CCNC(=O)c2ccccc2F)CC1 ZINC000185508850 547995358 /nfs/dbraw/zinc/99/53/58/547995358.db2.gz MINMLDCORJRYPA-MRXNPFEDSA-N 1 2 361.461 2.302 20 30 FEEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CC[C@]3(C2)OCc2ccccc23)c1 ZINC000186713927 548179643 /nfs/dbraw/zinc/17/96/43/548179643.db2.gz JWILZLUTQOGSFR-HXUWFJFHSA-N 1 2 368.458 2.463 20 30 FEEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CC[C@]3(C2)OCc2ccccc23)c1 ZINC000186713927 548179644 /nfs/dbraw/zinc/17/96/44/548179644.db2.gz JWILZLUTQOGSFR-HXUWFJFHSA-N 1 2 368.458 2.463 20 30 FEEDLO C#CCOc1ccccc1NC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000188127108 548272747 /nfs/dbraw/zinc/27/27/47/548272747.db2.gz DIMOAWGGLZINGD-UHFFFAOYSA-N 1 2 350.422 2.443 20 30 FEEDLO CCN(C[C@@H](C)C#N)C(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000189122985 548295616 /nfs/dbraw/zinc/29/56/16/548295616.db2.gz PWCFYRYIVDZVNT-LBPRGKRZSA-N 1 2 353.426 2.397 20 30 FEEDLO C=CCN(CCOC)C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000190917686 548336582 /nfs/dbraw/zinc/33/65/82/548336582.db2.gz RXOVPHQEKYJWPS-HOTGVXAUSA-N 1 2 362.474 2.039 20 30 FEEDLO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000191210362 548341568 /nfs/dbraw/zinc/34/15/68/548341568.db2.gz VWTKJZHSLJHDQL-SUMDDJOVSA-N 1 2 355.438 2.207 20 30 FEEDLO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000191210362 548341575 /nfs/dbraw/zinc/34/15/75/548341575.db2.gz VWTKJZHSLJHDQL-SUMDDJOVSA-N 1 2 355.438 2.207 20 30 FEEDLO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000191926091 548352712 /nfs/dbraw/zinc/35/27/12/548352712.db2.gz RFPNSOBXGKQQML-MRXNPFEDSA-N 1 2 373.497 2.314 20 30 FEEDLO Cc1cc(C)n(-c2ccc(C(N)=[NH+]OCCO[C@H]3CCCCO3)cn2)n1 ZINC000192838447 548374809 /nfs/dbraw/zinc/37/48/09/548374809.db2.gz SGEMNKMFHZPOGF-KRWDZBQOSA-N 1 2 359.430 2.064 20 30 FEEDLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000193052368 548379058 /nfs/dbraw/zinc/37/90/58/548379058.db2.gz WLDVYCWWSFDEBK-UXHICEINSA-N 1 2 364.445 2.495 20 30 FEEDLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000193052368 548379059 /nfs/dbraw/zinc/37/90/59/548379059.db2.gz WLDVYCWWSFDEBK-UXHICEINSA-N 1 2 364.445 2.495 20 30 FEEDLO COCC[NH+]1CCN(CC(=O)c2cn(CCC#N)c3ccccc23)CC1 ZINC000194607430 548505132 /nfs/dbraw/zinc/50/51/32/548505132.db2.gz WUNIGPFVKTXXRB-UHFFFAOYSA-N 1 2 354.454 2.002 20 30 FEEDLO C=CCCC[C@H](C)NC(=O)C(=O)N(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000487758514 561375111 /nfs/dbraw/zinc/37/51/11/561375111.db2.gz WZKNMSDTEKRBAV-LBPRGKRZSA-N 1 2 360.380 2.265 20 30 FEEDLO CCN(CC)C(=O)C[NH+]1CCN(c2c(C#N)cnc3ccc(C)cc32)CC1 ZINC000487923361 561379012 /nfs/dbraw/zinc/37/90/12/561379012.db2.gz ZYGVQXMHNRSPDM-UHFFFAOYSA-N 1 2 365.481 2.405 20 30 FEEDLO Cn1cc[nH+]c1CN1CCN(c2c(C#N)cnc3c(F)cc(F)cc32)CC1 ZINC000488284228 561387411 /nfs/dbraw/zinc/38/74/11/561387411.db2.gz BLSROVNLESGWLY-UHFFFAOYSA-N 1 2 368.391 2.440 20 30 FEEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000246228470 549084150 /nfs/dbraw/zinc/08/41/50/549084150.db2.gz CAURIPBMMCPHKF-APWZRJJASA-N 1 2 356.470 2.072 20 30 FEEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000246588555 549168639 /nfs/dbraw/zinc/16/86/39/549168639.db2.gz GNUDTJKVUXKWLC-QWHCGFSZSA-N 1 2 351.834 2.193 20 30 FEEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000246588555 549168644 /nfs/dbraw/zinc/16/86/44/549168644.db2.gz GNUDTJKVUXKWLC-QWHCGFSZSA-N 1 2 351.834 2.193 20 30 FEEDLO Cc1ncc(S(=O)(=O)NCc2cc[nH+]c(N3CCCCC3)c2)cc1C#N ZINC000489126088 561404061 /nfs/dbraw/zinc/40/40/61/561404061.db2.gz GYRQPVYRXGAORL-UHFFFAOYSA-N 1 2 371.466 2.126 20 30 FEEDLO C=CC[C@H](CO)NC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000248546007 549455346 /nfs/dbraw/zinc/45/53/46/549455346.db2.gz DQEVZDBXQYBTDC-KCXAZCMYSA-N 1 2 355.841 2.461 20 30 FEEDLO C=CC[C@H](CO)NC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000248546007 549455348 /nfs/dbraw/zinc/45/53/48/549455348.db2.gz DQEVZDBXQYBTDC-KCXAZCMYSA-N 1 2 355.841 2.461 20 30 FEEDLO C=CCC[C@H](O)C[N@@H+]1CCNC(=O)[C@H]1c1ccc(OC(F)(F)F)cc1 ZINC000248798764 549503515 /nfs/dbraw/zinc/50/35/15/549503515.db2.gz PPEGWOOTRNVLPC-DZGCQCFKSA-N 1 2 358.360 2.385 20 30 FEEDLO C=CCC[C@H](O)C[N@H+]1CCNC(=O)[C@H]1c1ccc(OC(F)(F)F)cc1 ZINC000248798764 549503519 /nfs/dbraw/zinc/50/35/19/549503519.db2.gz PPEGWOOTRNVLPC-DZGCQCFKSA-N 1 2 358.360 2.385 20 30 FEEDLO CCN(C[C@@H](C)C#N)C(=O)CN1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000255694007 549708062 /nfs/dbraw/zinc/70/80/62/549708062.db2.gz FIXWZDNHHPNUDM-KWEPMOPPSA-N 1 2 354.498 2.326 20 30 FEEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCN(C/C=C\c2ccccc2)CC1 ZINC000255694007 549708063 /nfs/dbraw/zinc/70/80/63/549708063.db2.gz FIXWZDNHHPNUDM-KWEPMOPPSA-N 1 2 354.498 2.326 20 30 FEEDLO C=CCN(CC=C)C(=O)C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000264250645 549993150 /nfs/dbraw/zinc/99/31/50/549993150.db2.gz AETJOEQJECYWIK-MRXNPFEDSA-N 1 2 357.454 2.219 20 30 FEEDLO CC(C)(C)C[N@H+](CCC#N)CC(=O)N(CCC(N)=O)Cc1ccccc1 ZINC000264593855 549998579 /nfs/dbraw/zinc/99/85/79/549998579.db2.gz AZCJYVAIIOPKLU-UHFFFAOYSA-N 1 2 358.486 2.152 20 30 FEEDLO CC(C)(C)C[N@@H+](CCC#N)CC(=O)N(CCC(N)=O)Cc1ccccc1 ZINC000264593855 549998580 /nfs/dbraw/zinc/99/85/80/549998580.db2.gz AZCJYVAIIOPKLU-UHFFFAOYSA-N 1 2 358.486 2.152 20 30 FEEDLO CC[C@@H]1C[N@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)CCS1 ZINC000266631681 550021941 /nfs/dbraw/zinc/02/19/41/550021941.db2.gz QDZTWCHXVPFPJU-TZMCWYRMSA-N 1 2 356.451 2.339 20 30 FEEDLO CC[C@@H]1C[N@@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)CCS1 ZINC000266631681 550021943 /nfs/dbraw/zinc/02/19/43/550021943.db2.gz QDZTWCHXVPFPJU-TZMCWYRMSA-N 1 2 356.451 2.339 20 30 FEEDLO CC1(C)Cc2cc(NC(=O)N(CCC#N)CC[NH+]3CCOCC3)ccc2O1 ZINC000268291190 550045130 /nfs/dbraw/zinc/04/51/30/550045130.db2.gz BISHSMXKNLDFGF-UHFFFAOYSA-N 1 2 372.469 2.480 20 30 FEEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000268986940 550141324 /nfs/dbraw/zinc/14/13/24/550141324.db2.gz UBNYQFQPQOOZSO-LSDHHAIUSA-N 1 2 351.859 2.356 20 30 FEEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000268986940 550141326 /nfs/dbraw/zinc/14/13/26/550141326.db2.gz UBNYQFQPQOOZSO-LSDHHAIUSA-N 1 2 351.859 2.356 20 30 FEEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCS[C@H]2COCC[C@H]21 ZINC000268986930 550141499 /nfs/dbraw/zinc/14/14/99/550141499.db2.gz UBNYQFQPQOOZSO-CABCVRRESA-N 1 2 351.859 2.356 20 30 FEEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCS[C@H]2COCC[C@H]21 ZINC000268986930 550141500 /nfs/dbraw/zinc/14/15/00/550141500.db2.gz UBNYQFQPQOOZSO-CABCVRRESA-N 1 2 351.859 2.356 20 30 FEEDLO N#Cc1ccc(-c2nnc(C[NH+]3CCN(c4cncc(F)c4)CC3)o2)cc1 ZINC000270964007 550326018 /nfs/dbraw/zinc/32/60/18/550326018.db2.gz VJHJKLZKCTYWOS-UHFFFAOYSA-N 1 2 364.384 2.465 20 30 FEEDLO Cn1c(CN(CCC#N)CC[NH+]2CCOCC2)nc2ccc(Cl)cc21 ZINC000271001413 550330351 /nfs/dbraw/zinc/33/03/51/550330351.db2.gz LAMCGAGBXVYDOF-UHFFFAOYSA-N 1 2 361.877 2.275 20 30 FEEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+](C)CCNC(=O)C(C)C ZINC000271082037 550338651 /nfs/dbraw/zinc/33/86/51/550338651.db2.gz FPDIVMJMIKJDAC-MRXNPFEDSA-N 1 2 374.485 2.034 20 30 FEEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)CCNC(=O)C(C)C ZINC000271082037 550338654 /nfs/dbraw/zinc/33/86/54/550338654.db2.gz FPDIVMJMIKJDAC-MRXNPFEDSA-N 1 2 374.485 2.034 20 30 FEEDLO C[C@H]1C[C@@H](CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCO1 ZINC000271714209 550396802 /nfs/dbraw/zinc/39/68/02/550396802.db2.gz WQINKTJOXMVAHP-LPHOPBHVSA-N 1 2 356.470 2.201 20 30 FEEDLO N#CC1(C(=O)N2CCc3c([nH+]cn3CCc3ccccc3)C2)CCOCC1 ZINC000271960415 550413352 /nfs/dbraw/zinc/41/33/52/550413352.db2.gz VDJZRBGBXOOVQR-UHFFFAOYSA-N 1 2 364.449 2.331 20 30 FEEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2C[C@H](O)C3(CC3)C2)c1C#N ZINC000494402187 561468901 /nfs/dbraw/zinc/46/89/01/561468901.db2.gz CZPOHWXDSHLQTJ-KRWDZBQOSA-N 1 2 356.470 2.487 20 30 FEEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2C[C@H](O)C3(CC3)C2)c1C#N ZINC000494402187 561468902 /nfs/dbraw/zinc/46/89/02/561468902.db2.gz CZPOHWXDSHLQTJ-KRWDZBQOSA-N 1 2 356.470 2.487 20 30 FEEDLO C=CCS(=O)(=O)CC[NH2+][C@H](C)c1nnn(-c2ccc(Cl)cc2)c1C ZINC000272879936 550474759 /nfs/dbraw/zinc/47/47/59/550474759.db2.gz QLOKNBMWYHGKRP-GFCCVEGCSA-N 1 2 368.890 2.481 20 30 FEEDLO Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)/C=C/c2ccc(OCC#N)cc2)CCO1 ZINC000276292296 550577952 /nfs/dbraw/zinc/57/79/52/550577952.db2.gz NNTKSYOFYNQJBN-ROGWWRQYSA-N 1 2 366.421 2.372 20 30 FEEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](Cc2ccc3c(c2)NC(=O)CO3)CC1 ZINC000276456623 550578569 /nfs/dbraw/zinc/57/85/69/550578569.db2.gz NHUNGZPQWOWGPC-IBGZPJMESA-N 1 2 362.433 2.400 20 30 FEEDLO CCOc1cc(CN(CCC#N)CC[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000276836718 550601598 /nfs/dbraw/zinc/60/15/98/550601598.db2.gz BTOBLZJUMLDXND-UHFFFAOYSA-N 1 2 362.430 2.041 20 30 FEEDLO COCC[N@H+](CC(=O)N(CCC#N)c1ccccc1)Cc1cccnc1 ZINC000277099256 550631874 /nfs/dbraw/zinc/63/18/74/550631874.db2.gz ODDOGFDBGZDYGF-UHFFFAOYSA-N 1 2 352.438 2.477 20 30 FEEDLO COCC[N@@H+](CC(=O)N(CCC#N)c1ccccc1)Cc1cccnc1 ZINC000277099256 550631875 /nfs/dbraw/zinc/63/18/75/550631875.db2.gz ODDOGFDBGZDYGF-UHFFFAOYSA-N 1 2 352.438 2.477 20 30 FEEDLO C[C@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)CC[S@]1=O ZINC000277268420 550649874 /nfs/dbraw/zinc/64/98/74/550649874.db2.gz RLIKYUFNAZOMDZ-FNODVLLQSA-N 1 2 365.524 2.280 20 30 FEEDLO C[C@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)CC[S@]1=O ZINC000277268420 550649875 /nfs/dbraw/zinc/64/98/75/550649875.db2.gz RLIKYUFNAZOMDZ-FNODVLLQSA-N 1 2 365.524 2.280 20 30 FEEDLO N#Cc1ccc(N2CC[C@H]([N@@H+]3CCC[C@@H]([C@@H](O)C(F)(F)F)C3)C2=O)cc1 ZINC000277637606 550695425 /nfs/dbraw/zinc/69/54/25/550695425.db2.gz BWVNGYUVYLOMGR-VNQPRFMTSA-N 1 2 367.371 2.299 20 30 FEEDLO N#Cc1ccc(N2CC[C@H]([N@H+]3CCC[C@@H]([C@@H](O)C(F)(F)F)C3)C2=O)cc1 ZINC000277637606 550695427 /nfs/dbraw/zinc/69/54/27/550695427.db2.gz BWVNGYUVYLOMGR-VNQPRFMTSA-N 1 2 367.371 2.299 20 30 FEEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000278242454 550764449 /nfs/dbraw/zinc/76/44/49/550764449.db2.gz LPZWFUWFWBLMKD-BFYDXBDKSA-N 1 2 350.484 2.219 20 30 FEEDLO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000278842626 550827921 /nfs/dbraw/zinc/82/79/21/550827921.db2.gz FAFFYBSHQQFQCS-SFYZADRCSA-N 1 2 350.366 2.213 20 30 FEEDLO C#CCn1ccc(C[N@@H+](CC)[C@@H](C)C(=O)N[C@@H]2CCOc3ccccc32)n1 ZINC000279668532 550914852 /nfs/dbraw/zinc/91/48/52/550914852.db2.gz DWTLSVVPMQMJOY-QFBILLFUSA-N 1 2 366.465 2.367 20 30 FEEDLO C#CCn1ccc(C[N@H+](CC)[C@@H](C)C(=O)N[C@@H]2CCOc3ccccc32)n1 ZINC000279668532 550914853 /nfs/dbraw/zinc/91/48/53/550914853.db2.gz DWTLSVVPMQMJOY-QFBILLFUSA-N 1 2 366.465 2.367 20 30 FEEDLO C#CCn1ccc(C[N@@H+](CC)[C@H](C)C(=O)N2CCc3ccccc3C2)n1 ZINC000279718370 550920799 /nfs/dbraw/zinc/92/07/99/550920799.db2.gz LJUBAUJPUJTCLW-QGZVFWFLSA-N 1 2 350.466 2.312 20 30 FEEDLO C#CCn1ccc(C[N@H+](CC)[C@H](C)C(=O)N2CCc3ccccc3C2)n1 ZINC000279718370 550920800 /nfs/dbraw/zinc/92/08/00/550920800.db2.gz LJUBAUJPUJTCLW-QGZVFWFLSA-N 1 2 350.466 2.312 20 30 FEEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000280252849 550974617 /nfs/dbraw/zinc/97/46/17/550974617.db2.gz BQKSDGBMSZKYOM-MBOZVWFJSA-N 1 2 357.454 2.202 20 30 FEEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000280252849 550974618 /nfs/dbraw/zinc/97/46/18/550974618.db2.gz BQKSDGBMSZKYOM-MBOZVWFJSA-N 1 2 357.454 2.202 20 30 FEEDLO N#Cc1ccc(C[C@@H](C#N)C(=O)N2CC[NH+](Cc3cccc(O)c3)CC2)cc1 ZINC000280412185 550991143 /nfs/dbraw/zinc/99/11/43/550991143.db2.gz OWMXPZMOJVKJSE-FQEVSTJZSA-N 1 2 374.444 2.291 20 30 FEEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCO[C@@]2(CCO[C@H]2C)C1 ZINC000280563267 551007717 /nfs/dbraw/zinc/00/77/17/551007717.db2.gz VBLQTJYPHSGOAW-VBHSOAQHSA-N 1 2 363.845 2.418 20 30 FEEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCO[C@@]2(CCO[C@H]2C)C1 ZINC000280563267 551007718 /nfs/dbraw/zinc/00/77/18/551007718.db2.gz VBLQTJYPHSGOAW-VBHSOAQHSA-N 1 2 363.845 2.418 20 30 FEEDLO COC(=O)[C@H]1CC[C@H](C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000280565868 551008486 /nfs/dbraw/zinc/00/84/86/551008486.db2.gz KZKQDGWTVZAJNT-WGSAOQKQSA-N 1 2 369.465 2.182 20 30 FEEDLO CN(C)[C@H](C(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1c[nH+]cn1C ZINC000280796528 551033215 /nfs/dbraw/zinc/03/32/15/551033215.db2.gz OXSGDQXHAWLTFF-INIZCTEOSA-N 1 2 364.371 2.210 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1=O ZINC000281170027 551070095 /nfs/dbraw/zinc/07/00/95/551070095.db2.gz ADWYKOGIFVWDEB-QAPCUYQASA-N 1 2 372.444 2.180 20 30 FEEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1=O ZINC000281170027 551070096 /nfs/dbraw/zinc/07/00/96/551070096.db2.gz ADWYKOGIFVWDEB-QAPCUYQASA-N 1 2 372.444 2.180 20 30 FEEDLO CC[C@H]1C[N@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)CCCO1 ZINC000281217265 551074677 /nfs/dbraw/zinc/07/46/77/551074677.db2.gz BLTIEJPDDLSWRR-DZGCQCFKSA-N 1 2 354.410 2.013 20 30 FEEDLO CC[C@H]1C[N@@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)CCCO1 ZINC000281217265 551074678 /nfs/dbraw/zinc/07/46/78/551074678.db2.gz BLTIEJPDDLSWRR-DZGCQCFKSA-N 1 2 354.410 2.013 20 30 FEEDLO C[C@@H](c1ccccc1)N(C)C(=O)C[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000497457629 561501216 /nfs/dbraw/zinc/50/12/16/561501216.db2.gz OLDQWNHQWDFKJZ-KRWDZBQOSA-N 1 2 363.465 2.295 20 30 FEEDLO Cc1nc(C#N)c(N2CCC(C(=O)Nc3ccn4cc[nH+]c4c3)CC2)o1 ZINC000282983878 551293217 /nfs/dbraw/zinc/29/32/17/551293217.db2.gz JUJVRZMMJKKTGG-UHFFFAOYSA-N 1 2 350.382 2.358 20 30 FEEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC)CC1 ZINC000283367568 551354801 /nfs/dbraw/zinc/35/48/01/551354801.db2.gz DQWZZUGXSKVBRT-HNNXBMFYSA-N 1 2 357.433 2.332 20 30 FEEDLO Cc1nc(N2CCN(C(=O)C(C)(C)c3cc(F)cc(C#N)c3)CC2)cc[nH+]1 ZINC000286117446 551850501 /nfs/dbraw/zinc/85/05/01/551850501.db2.gz PWHVIXPUJGKTCJ-UHFFFAOYSA-N 1 2 367.428 2.422 20 30 FEEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)C1=O ZINC000286529873 551896645 /nfs/dbraw/zinc/89/66/45/551896645.db2.gz NNSLXOLNDODWET-UPJWGTAASA-N 1 2 373.400 2.218 20 30 FEEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)C1=O ZINC000286529873 551896647 /nfs/dbraw/zinc/89/66/47/551896647.db2.gz NNSLXOLNDODWET-UPJWGTAASA-N 1 2 373.400 2.218 20 30 FEEDLO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN(c3ccnc(C#N)c3)C2)CC1 ZINC000286659383 551911757 /nfs/dbraw/zinc/91/17/57/551911757.db2.gz WYSPIJWZBZLUON-KRWDZBQOSA-N 1 2 357.458 2.085 20 30 FEEDLO CCn1cc[nH+]c1[C@@H](NC(=O)c1ccc(C#N)c(C)n1)C1CCOCC1 ZINC000286875004 551935461 /nfs/dbraw/zinc/93/54/61/551935461.db2.gz OARLWKNVFKUWTC-KRWDZBQOSA-N 1 2 353.426 2.376 20 30 FEEDLO C=C(CNC(=O)NCc1ccc(N2CCOCC2)[nH+]c1)c1ccccc1 ZINC000286934078 551942200 /nfs/dbraw/zinc/94/22/00/551942200.db2.gz BWPNUFUEXOMUDY-UHFFFAOYSA-N 1 2 352.438 2.431 20 30 FEEDLO N#Cc1ccc(N2CC[C@@H](C(=O)NCCNc3cccc[nH+]3)C2)c(F)c1 ZINC000287085675 551961662 /nfs/dbraw/zinc/96/16/62/551961662.db2.gz MGZNSLGDUAKGRE-OAHLLOKOSA-N 1 2 353.401 2.147 20 30 FEEDLO C#CCOc1ccc(F)cc1NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000287140107 551968617 /nfs/dbraw/zinc/96/86/17/551968617.db2.gz NRKWJEQFKINOMS-GDBMZVCRSA-N 1 2 361.417 2.165 20 30 FEEDLO Cc1cc[nH+]c(C)c1NC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000287605773 552024558 /nfs/dbraw/zinc/02/45/58/552024558.db2.gz SKSSWYFQLIOFHO-ZDUSSCGKSA-N 1 2 351.414 2.103 20 30 FEEDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)c3cc(C#N)ccn3)CC2)c1 ZINC000288731142 552202287 /nfs/dbraw/zinc/20/22/87/552202287.db2.gz AYDRCRYOZYOQRE-OAHLLOKOSA-N 1 2 350.422 2.481 20 30 FEEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)N[C@H](c2ccc(F)cc2)C(C)C)C1=O ZINC000499988086 561563669 /nfs/dbraw/zinc/56/36/69/561563669.db2.gz NOODWXZISGFPFW-MJGOQNOKSA-N 1 2 361.461 2.358 20 30 FEEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)N[C@H](c2ccc(F)cc2)C(C)C)C1=O ZINC000499988086 561563670 /nfs/dbraw/zinc/56/36/70/561563670.db2.gz NOODWXZISGFPFW-MJGOQNOKSA-N 1 2 361.461 2.358 20 30 FEEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)C(=O)Nc2cc(Cl)ccc2OC)C1=O ZINC000500024166 561564313 /nfs/dbraw/zinc/56/43/13/561564313.db2.gz KOHIKOAHQKJXMH-IUODEOHRSA-N 1 2 365.861 2.394 20 30 FEEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](C)C(=O)Nc2cc(Cl)ccc2OC)C1=O ZINC000500024166 561564314 /nfs/dbraw/zinc/56/43/14/561564314.db2.gz KOHIKOAHQKJXMH-IUODEOHRSA-N 1 2 365.861 2.394 20 30 FEEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)N(C)[C@@H](C)c2ccc(F)c(F)c2)C1=O ZINC000500026687 561564504 /nfs/dbraw/zinc/56/45/04/561564504.db2.gz RPJBTHNDSCSHEN-SUMWQHHRSA-N 1 2 365.424 2.203 20 30 FEEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)N(C)[C@@H](C)c2ccc(F)c(F)c2)C1=O ZINC000500026687 561564505 /nfs/dbraw/zinc/56/45/05/561564505.db2.gz RPJBTHNDSCSHEN-SUMWQHHRSA-N 1 2 365.424 2.203 20 30 FEEDLO O=c1nc([C@H]2CCC[N@@H+](CC#Cc3ccc(C(F)(F)F)cc3)C2)[nH][nH]1 ZINC000289366431 552308214 /nfs/dbraw/zinc/30/82/14/552308214.db2.gz HXGITPHGSSYZLJ-ZDUSSCGKSA-N 1 2 350.344 2.348 20 30 FEEDLO O=c1nc([C@H]2CCC[N@H+](CC#Cc3ccc(C(F)(F)F)cc3)C2)[nH][nH]1 ZINC000289366431 552308216 /nfs/dbraw/zinc/30/82/16/552308216.db2.gz HXGITPHGSSYZLJ-ZDUSSCGKSA-N 1 2 350.344 2.348 20 30 FEEDLO C=CCCCN(C)C(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000289513301 552333929 /nfs/dbraw/zinc/33/39/29/552333929.db2.gz CLFSTJMTPKGXIB-IRXDYDNUSA-N 1 2 365.424 2.251 20 30 FEEDLO C=CCCCN(C)C(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000289513301 552333932 /nfs/dbraw/zinc/33/39/32/552333932.db2.gz CLFSTJMTPKGXIB-IRXDYDNUSA-N 1 2 365.424 2.251 20 30 FEEDLO C[NH+](C)[C@@H](CNS(=O)(=O)c1cncc(C#N)c1)c1ccccc1Cl ZINC000289808501 552381583 /nfs/dbraw/zinc/38/15/83/552381583.db2.gz NIEKYYOEPHCGOO-INIZCTEOSA-N 1 2 364.858 2.188 20 30 FEEDLO CCO[C@@H]1C[C@H]([N@H+](C)CCS(=O)(=O)c2ccc(C#N)cn2)C12CCC2 ZINC000290262950 552450394 /nfs/dbraw/zinc/45/03/94/552450394.db2.gz KVSWFDVGISNROL-JKSUJKDBSA-N 1 2 363.483 2.006 20 30 FEEDLO CCO[C@@H]1C[C@H]([N@@H+](C)CCS(=O)(=O)c2ccc(C#N)cn2)C12CCC2 ZINC000290262950 552450397 /nfs/dbraw/zinc/45/03/97/552450397.db2.gz KVSWFDVGISNROL-JKSUJKDBSA-N 1 2 363.483 2.006 20 30 FEEDLO C[C@H](Cn1cc[nH+]c1)Nc1ccc(C#N)c(N[C@@H](C)Cn2ccnc2)n1 ZINC000290471683 552484487 /nfs/dbraw/zinc/48/44/87/552484487.db2.gz GQRXJYUBQXKLIV-CABCVRRESA-N 1 2 350.430 2.347 20 30 FEEDLO C[C@H](Cn1ccnc1)Nc1ccc(C#N)c(N[C@@H](C)Cn2cc[nH+]c2)n1 ZINC000290471683 552484489 /nfs/dbraw/zinc/48/44/89/552484489.db2.gz GQRXJYUBQXKLIV-CABCVRRESA-N 1 2 350.430 2.347 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCS[C@@H]3CCCC[C@H]32)nc1 ZINC000290473827 552484806 /nfs/dbraw/zinc/48/48/06/552484806.db2.gz XCMRSATWWLEXGH-HUUCEWRRSA-N 1 2 351.497 2.087 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCS[C@@H]3CCCC[C@H]32)nc1 ZINC000290473827 552484807 /nfs/dbraw/zinc/48/48/07/552484807.db2.gz XCMRSATWWLEXGH-HUUCEWRRSA-N 1 2 351.497 2.087 20 30 FEEDLO N#Cc1ccc(N2CC[NH+](CC(=O)NC3CCCCC3)CC2)cc1[N+](=O)[O-] ZINC000290522103 552492155 /nfs/dbraw/zinc/49/21/55/552492155.db2.gz GIJNEOYUCDJXHS-UHFFFAOYSA-N 1 2 371.441 2.037 20 30 FEEDLO C=C[C@H](CO)NC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000290572454 552500273 /nfs/dbraw/zinc/50/02/73/552500273.db2.gz KZCHGJMVRIXCSX-CABCVRRESA-N 1 2 353.260 2.249 20 30 FEEDLO C[N@@H+]1CCN(S(=O)(=O)c2cc(Br)cc(C#N)c2)C(C)(C)C1 ZINC000501192331 561592223 /nfs/dbraw/zinc/59/22/23/561592223.db2.gz QFYFUBMBMNBJFV-UHFFFAOYSA-N 1 2 372.288 2.035 20 30 FEEDLO C[N@H+]1CCN(S(=O)(=O)c2cc(Br)cc(C#N)c2)C(C)(C)C1 ZINC000501192331 561592224 /nfs/dbraw/zinc/59/22/24/561592224.db2.gz QFYFUBMBMNBJFV-UHFFFAOYSA-N 1 2 372.288 2.035 20 30 FEEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCC(F)(F)[C@@H](CO)C2)c1C ZINC000291660940 552648266 /nfs/dbraw/zinc/64/82/66/552648266.db2.gz FVBLOLYWGDHJOD-MRXNPFEDSA-N 1 2 365.424 2.500 20 30 FEEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCC(F)(F)[C@@H](CO)C2)c1C ZINC000291660940 552648267 /nfs/dbraw/zinc/64/82/67/552648267.db2.gz FVBLOLYWGDHJOD-MRXNPFEDSA-N 1 2 365.424 2.500 20 30 FEEDLO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3nnc(C4CC4)n3C3CC3)C2)nc1 ZINC000292038520 552687321 /nfs/dbraw/zinc/68/73/21/552687321.db2.gz AGSNEHBBBFLIDH-INIZCTEOSA-N 1 2 350.426 2.410 20 30 FEEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3nnc(C4CC4)n3C3CC3)C2)nc1 ZINC000292038520 552687322 /nfs/dbraw/zinc/68/73/22/552687322.db2.gz AGSNEHBBBFLIDH-INIZCTEOSA-N 1 2 350.426 2.410 20 30 FEEDLO N#Cc1ccc(N2CC[C@@H]([NH+]3CCN(c4cccc(O)c4)CC3)C2=O)cc1 ZINC000292266271 552710418 /nfs/dbraw/zinc/71/04/18/552710418.db2.gz LASYJAVPEBYIDF-HXUWFJFHSA-N 1 2 362.433 2.191 20 30 FEEDLO CCN(C(C)=O)c1nc(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cs1 ZINC000292354039 552718702 /nfs/dbraw/zinc/71/87/02/552718702.db2.gz XNWLOLHNPWHBFB-INIZCTEOSA-N 1 2 371.466 2.436 20 30 FEEDLO CCN(C(C)=O)c1nc(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cs1 ZINC000292354039 552718703 /nfs/dbraw/zinc/71/87/03/552718703.db2.gz XNWLOLHNPWHBFB-INIZCTEOSA-N 1 2 371.466 2.436 20 30 FEEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3cnnn3Cc3ccccc3)C2)nc1 ZINC000292817462 552761281 /nfs/dbraw/zinc/76/12/81/552761281.db2.gz PLVZRKSNWQWVCQ-LJQANCHMSA-N 1 2 360.421 2.246 20 30 FEEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3cnnn3Cc3ccccc3)C2)nc1 ZINC000292817462 552761282 /nfs/dbraw/zinc/76/12/82/552761282.db2.gz PLVZRKSNWQWVCQ-LJQANCHMSA-N 1 2 360.421 2.246 20 30 FEEDLO CC(C)OCC[NH+]1CCN(C(=O)c2cnc(C(F)(F)F)c(C#N)c2)CC1 ZINC000293290408 552807937 /nfs/dbraw/zinc/80/79/37/552807937.db2.gz RXWIHWXTBFCNKP-UHFFFAOYSA-N 1 2 370.375 2.155 20 30 FEEDLO C=CCOc1c(Br)cc(C[N@@H+]2CCOC[C@H](O)C2)cc1OC ZINC000294821504 552936603 /nfs/dbraw/zinc/93/66/03/552936603.db2.gz OYXNXPRNDRFDMP-CYBMUJFWSA-N 1 2 372.259 2.216 20 30 FEEDLO C=CCOc1c(Br)cc(C[N@H+]2CCOC[C@H](O)C2)cc1OC ZINC000294821504 552936604 /nfs/dbraw/zinc/93/66/04/552936604.db2.gz OYXNXPRNDRFDMP-CYBMUJFWSA-N 1 2 372.259 2.216 20 30 FEEDLO CCn1cc[nH+]c1CNC(=O)CCC(=O)N(CCC#N)c1ccccc1 ZINC000295529201 553021238 /nfs/dbraw/zinc/02/12/38/553021238.db2.gz BPOFYVQQQOZUDI-UHFFFAOYSA-N 1 2 353.426 2.246 20 30 FEEDLO COc1ccc(Br)c([C@@H](CO)[N@H+](C)CCOCCC#N)c1 ZINC000296444832 553160953 /nfs/dbraw/zinc/16/09/53/553160953.db2.gz WTJMGPOMGQLIJB-OAHLLOKOSA-N 1 2 357.248 2.353 20 30 FEEDLO COc1ccc(Br)c([C@@H](CO)[N@@H+](C)CCOCCC#N)c1 ZINC000296444832 553160955 /nfs/dbraw/zinc/16/09/55/553160955.db2.gz WTJMGPOMGQLIJB-OAHLLOKOSA-N 1 2 357.248 2.353 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CC[C@@H](OC(=O)N(C)C)C2)c1 ZINC000296563635 553180265 /nfs/dbraw/zinc/18/02/65/553180265.db2.gz CQHZXEHKOOLTII-GOSISDBHSA-N 1 2 372.469 2.323 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H](OC(=O)N(C)C)C2)c1 ZINC000296563635 553180266 /nfs/dbraw/zinc/18/02/66/553180266.db2.gz CQHZXEHKOOLTII-GOSISDBHSA-N 1 2 372.469 2.323 20 30 FEEDLO C=CCCN(C)C(=O)C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000297408538 553288581 /nfs/dbraw/zinc/28/85/81/553288581.db2.gz AMSXFQGBRPNFJW-UHFFFAOYSA-N 1 2 363.889 2.409 20 30 FEEDLO C=CCCN(C)C(=O)C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000297408538 553288582 /nfs/dbraw/zinc/28/85/82/553288582.db2.gz AMSXFQGBRPNFJW-UHFFFAOYSA-N 1 2 363.889 2.409 20 30 FEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000503211956 561636786 /nfs/dbraw/zinc/63/67/86/561636786.db2.gz SSIPLTXXGUFPJK-IRXDYDNUSA-N 1 2 358.486 2.146 20 30 FEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000503211956 561636787 /nfs/dbraw/zinc/63/67/87/561636787.db2.gz SSIPLTXXGUFPJK-IRXDYDNUSA-N 1 2 358.486 2.146 20 30 FEEDLO CCn1cc[nH+]c1CNC(=O)N1CCCN(c2ccccc2C#N)CC1 ZINC000298530372 553436630 /nfs/dbraw/zinc/43/66/30/553436630.db2.gz URBLAOJZQGHFIT-UHFFFAOYSA-N 1 2 352.442 2.197 20 30 FEEDLO N#CCC(=O)N1CCN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)CC1 ZINC000503627490 561645667 /nfs/dbraw/zinc/64/56/67/561645667.db2.gz KCSYESIKVJCPLC-UHFFFAOYSA-N 1 2 350.378 2.072 20 30 FEEDLO COCc1cnc(C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)s1 ZINC000503947684 561650511 /nfs/dbraw/zinc/65/05/11/561650511.db2.gz UJQJJYHTDGKILG-INIZCTEOSA-N 1 2 356.451 2.446 20 30 FEEDLO COCC[N@H+](CC(=O)NCc1ccc(C#N)cc1)Cc1ccc(C#N)cc1 ZINC000299411518 553559935 /nfs/dbraw/zinc/55/99/35/553559935.db2.gz PBNRXVIXCIVZNE-UHFFFAOYSA-N 1 2 362.433 2.195 20 30 FEEDLO COCC[N@@H+](CC(=O)NCc1ccc(C#N)cc1)Cc1ccc(C#N)cc1 ZINC000299411518 553559937 /nfs/dbraw/zinc/55/99/37/553559937.db2.gz PBNRXVIXCIVZNE-UHFFFAOYSA-N 1 2 362.433 2.195 20 30 FEEDLO C[C@H](Oc1ccccc1Cl)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000299506385 553572841 /nfs/dbraw/zinc/57/28/41/553572841.db2.gz HNCPAQZRCSHTEV-HNNXBMFYSA-N 1 2 365.861 2.182 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1ccc(-c2cnco2)cc1 ZINC000299507810 553573157 /nfs/dbraw/zinc/57/31/57/553573157.db2.gz IBPUTIFVJSZOAT-UHFFFAOYSA-N 1 2 354.410 2.030 20 30 FEEDLO COC1(c2ccccc2)C[NH+](C[C@H](O)COc2ccc(CC#N)cc2)C1 ZINC000504679986 561661198 /nfs/dbraw/zinc/66/11/98/561661198.db2.gz IAWYVHDXLUQHDW-IBGZPJMESA-N 1 2 352.434 2.350 20 30 FEEDLO Cc1cc(NC(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)ncc1C#N ZINC000603120489 553712472 /nfs/dbraw/zinc/71/24/72/553712472.db2.gz RARVWPSRLANRBB-GOSISDBHSA-N 1 2 365.437 2.457 20 30 FEEDLO Nc1nccc([C@@H]2CCC[N@H+](CC(=O)Nc3nc4c(s3)CCC4)C2)n1 ZINC000328680723 553806140 /nfs/dbraw/zinc/80/61/40/553806140.db2.gz NVHBTURJGACLKO-LLVKDONJSA-N 1 2 358.471 2.472 20 30 FEEDLO Nc1nccc([C@@H]2CCC[N@@H+](CC(=O)Nc3nc4c(s3)CCC4)C2)n1 ZINC000328680723 553806142 /nfs/dbraw/zinc/80/61/42/553806142.db2.gz NVHBTURJGACLKO-LLVKDONJSA-N 1 2 358.471 2.472 20 30 FEEDLO N#C[C@H]1CC[C@H]([NH+]2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)C1 ZINC000328719449 553812283 /nfs/dbraw/zinc/81/22/83/553812283.db2.gz GHUFJNUURFUVMU-YJBOKZPZSA-N 1 2 359.495 2.174 20 30 FEEDLO C[C@@H]1CN(C(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)C2CCCCC2)[C@H](C)CO1 ZINC000328796689 553823510 /nfs/dbraw/zinc/82/35/10/553823510.db2.gz UZQTXYSKUQIBCN-CPUCHLNUSA-N 1 2 362.474 2.493 20 30 FEEDLO C[C@@H]1CN(C(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)C2CCCCC2)[C@H](C)CO1 ZINC000328796689 553823512 /nfs/dbraw/zinc/82/35/12/553823512.db2.gz UZQTXYSKUQIBCN-CPUCHLNUSA-N 1 2 362.474 2.493 20 30 FEEDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cnc([C@H]3CCCO3)s2)CC1 ZINC000328811991 553826303 /nfs/dbraw/zinc/82/63/03/553826303.db2.gz BDUNGNYUONSUOK-CYBMUJFWSA-N 1 2 366.487 2.119 20 30 FEEDLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2cnc([C@H]3CCCO3)s2)CC1 ZINC000328811991 553826306 /nfs/dbraw/zinc/82/63/06/553826306.db2.gz BDUNGNYUONSUOK-CYBMUJFWSA-N 1 2 366.487 2.119 20 30 FEEDLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1ccnn1C ZINC000328868271 553835949 /nfs/dbraw/zinc/83/59/49/553835949.db2.gz CMQZPPSFBQOCCQ-CXAGYDPISA-N 1 2 356.430 2.050 20 30 FEEDLO CC(C)N1C(=O)N[C@@H]2C[N@@H+](CC(=O)Nc3ccc4c(c3)OCO4)CC[C@@H]21 ZINC000328946138 553851020 /nfs/dbraw/zinc/85/10/20/553851020.db2.gz GKHYKLXMFNOWGT-KGLIPLIRSA-N 1 2 360.414 2.084 20 30 FEEDLO CC(C)N1C(=O)N[C@@H]2C[N@H+](CC(=O)Nc3ccc4c(c3)OCO4)CC[C@@H]21 ZINC000328946138 553851022 /nfs/dbraw/zinc/85/10/22/553851022.db2.gz GKHYKLXMFNOWGT-KGLIPLIRSA-N 1 2 360.414 2.084 20 30 FEEDLO Cc1cc(C)n(-c2ccccc2NC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)n1 ZINC000328968121 553855034 /nfs/dbraw/zinc/85/50/34/553855034.db2.gz UADVTLHRGIUOAG-RTBURBONSA-N 1 2 369.469 2.440 20 30 FEEDLO Cc1cc(C)n(-c2ccccc2NC(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)n1 ZINC000328968121 553855035 /nfs/dbraw/zinc/85/50/35/553855035.db2.gz UADVTLHRGIUOAG-RTBURBONSA-N 1 2 369.469 2.440 20 30 FEEDLO CO[C@@H]1CCC[C@@H]1[C@@H]1COCC[N@H+]1CC(=O)Nc1c(C)nn(C)c1C ZINC000328985509 553859210 /nfs/dbraw/zinc/85/92/10/553859210.db2.gz TYGAUVPOLQCEGF-OWCLPIDISA-N 1 2 350.463 2.141 20 30 FEEDLO CO[C@@H]1CCC[C@@H]1[C@@H]1COCC[N@@H+]1CC(=O)Nc1c(C)nn(C)c1C ZINC000328985509 553859209 /nfs/dbraw/zinc/85/92/09/553859209.db2.gz TYGAUVPOLQCEGF-OWCLPIDISA-N 1 2 350.463 2.141 20 30 FEEDLO CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC000329025867 553867233 /nfs/dbraw/zinc/86/72/33/553867233.db2.gz JPAKMOAYMJESGN-CABCVRRESA-N 1 2 365.503 2.238 20 30 FEEDLO Cc1ccnc(-c2cccc(NC(=O)N3CC[C@H]4OCC[N@@H+](C)[C@@H]4C3)c2)n1 ZINC000329035590 553868528 /nfs/dbraw/zinc/86/85/28/553868528.db2.gz RBWMPWMMYGUWLU-QZTJIDSGSA-N 1 2 367.453 2.402 20 30 FEEDLO Cc1ccnc(-c2cccc(NC(=O)N3CC[C@H]4OCC[N@H+](C)[C@@H]4C3)c2)n1 ZINC000329035590 553868529 /nfs/dbraw/zinc/86/85/29/553868529.db2.gz RBWMPWMMYGUWLU-QZTJIDSGSA-N 1 2 367.453 2.402 20 30 FEEDLO O=C(C[N@@H+]1CCC[C@@H](n2cncn2)C1)Nc1ccc2c(c1)OCCCO2 ZINC000329207497 553902825 /nfs/dbraw/zinc/90/28/25/553902825.db2.gz YKCMFAKMLSNMCQ-OAHLLOKOSA-N 1 2 357.414 2.365 20 30 FEEDLO O=C(C[N@H+]1CCC[C@@H](n2cncn2)C1)Nc1ccc2c(c1)OCCCO2 ZINC000329207497 553902827 /nfs/dbraw/zinc/90/28/27/553902827.db2.gz YKCMFAKMLSNMCQ-OAHLLOKOSA-N 1 2 357.414 2.365 20 30 FEEDLO Cc1cc(NC(=O)N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)cnc1N1CCCC[C@@H]1C ZINC000329249232 553910636 /nfs/dbraw/zinc/91/06/36/553910636.db2.gz AREYQKYKHFQLMZ-SZMVWBNQSA-N 1 2 373.501 2.329 20 30 FEEDLO Cc1cc(NC(=O)N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)cnc1N1CCCC[C@@H]1C ZINC000329249232 553910637 /nfs/dbraw/zinc/91/06/37/553910637.db2.gz AREYQKYKHFQLMZ-SZMVWBNQSA-N 1 2 373.501 2.329 20 30 FEEDLO Cn1c[nH+]cc1[C@H]1[C@H](NC(=O)N2CCCC3(CC3)C2)CCC(=O)N1C1CC1 ZINC000329254522 553911925 /nfs/dbraw/zinc/91/19/25/553911925.db2.gz ZVGOHCPZWUBSQI-CRAIPNDOSA-N 1 2 371.485 2.405 20 30 FEEDLO CC(C)Cn1ncc(NC(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)c1C1CC1 ZINC000329284322 553918019 /nfs/dbraw/zinc/91/80/19/553918019.db2.gz NVNCSOMMFXYSOX-DLBZAZTESA-N 1 2 361.490 2.367 20 30 FEEDLO CC(C)Cn1ncc(NC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)c1C1CC1 ZINC000329284322 553918020 /nfs/dbraw/zinc/91/80/20/553918020.db2.gz NVNCSOMMFXYSOX-DLBZAZTESA-N 1 2 361.490 2.367 20 30 FEEDLO Cc1nc(C[N@@H+]2CCCN(C(=O)NC[C@H]3CCCCO3)CC2)cs1 ZINC000329338350 553928444 /nfs/dbraw/zinc/92/84/44/553928444.db2.gz QJWAXLDFYGASSR-MRXNPFEDSA-N 1 2 352.504 2.442 20 30 FEEDLO Cc1nc(C[N@H+]2CCCN(C(=O)NC[C@H]3CCCCO3)CC2)cs1 ZINC000329338350 553928450 /nfs/dbraw/zinc/92/84/50/553928450.db2.gz QJWAXLDFYGASSR-MRXNPFEDSA-N 1 2 352.504 2.442 20 30 FEEDLO CC(C)CCNC(=O)[C@@H]1CSCN1C(=O)[C@H](C)[NH+]1CCSCC1 ZINC000329355510 553930455 /nfs/dbraw/zinc/93/04/55/553930455.db2.gz FOHHFKFCYQFVLD-KBPBESRZSA-N 1 2 359.561 2.328 20 30 FEEDLO CC(C)[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)[C@H](C)[NH+]1CCSCC1 ZINC000329375689 553934387 /nfs/dbraw/zinc/93/43/87/553934387.db2.gz LKQVFRNCWZAQED-IHRRRGAJSA-N 1 2 359.561 2.326 20 30 FEEDLO Cc1ccc(NC(=O)NC(=O)[C@H](C)[N@@H+]2CCN3CCOC[C@H]3C2)c(C)c1 ZINC000329400385 553939065 /nfs/dbraw/zinc/93/90/65/553939065.db2.gz BBYKLXGZYGEJIZ-JKSUJKDBSA-N 1 2 360.458 2.210 20 30 FEEDLO Cc1ccc(NC(=O)NC(=O)[C@H](C)[N@H+]2CCN3CCOC[C@H]3C2)c(C)c1 ZINC000329400385 553939068 /nfs/dbraw/zinc/93/90/68/553939068.db2.gz BBYKLXGZYGEJIZ-JKSUJKDBSA-N 1 2 360.458 2.210 20 30 FEEDLO C[C@H]1CN(C(=O)Nc2csc(-c3ccccn3)n2)C[C@H]1[NH+]1CCOCC1 ZINC000329403752 553939690 /nfs/dbraw/zinc/93/96/90/553939690.db2.gz CFWBYPGIHGVDAQ-DZGCQCFKSA-N 1 2 373.482 2.403 20 30 FEEDLO Cc1nc2c(c(=O)[nH]n2C)c(C)c1CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000329429565 553945281 /nfs/dbraw/zinc/94/52/81/553945281.db2.gz HXKJVZCDAGEUSL-GFCCVEGCSA-N 1 2 354.414 2.206 20 30 FEEDLO C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)C[N@H+](C)Cc1cnc(N(C)C)nc1 ZINC000329483156 553955237 /nfs/dbraw/zinc/95/52/37/553955237.db2.gz FCAWAXLWYMFMLO-UKRRQHHQSA-N 1 2 362.478 2.424 20 30 FEEDLO C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)C[N@@H+](C)Cc1cnc(N(C)C)nc1 ZINC000329483156 553955238 /nfs/dbraw/zinc/95/52/38/553955238.db2.gz FCAWAXLWYMFMLO-UKRRQHHQSA-N 1 2 362.478 2.424 20 30 FEEDLO CC1(C)COCC[N@@H+]1CCNC(=O)N1CCO[C@H](C2CCCCC2)C1 ZINC000329555469 553966946 /nfs/dbraw/zinc/96/69/46/553966946.db2.gz DTABMBVAPKJNAK-KRWDZBQOSA-N 1 2 353.507 2.292 20 30 FEEDLO CC1(C)COCC[N@H+]1CCNC(=O)N1CCO[C@H](C2CCCCC2)C1 ZINC000329555469 553966948 /nfs/dbraw/zinc/96/69/48/553966948.db2.gz DTABMBVAPKJNAK-KRWDZBQOSA-N 1 2 353.507 2.292 20 30 FEEDLO CC(C)C(=O)N1CCC(NC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000329579238 553970882 /nfs/dbraw/zinc/97/08/82/553970882.db2.gz PIKCGJXCRVDWKH-KRWDZBQOSA-N 1 2 351.491 2.233 20 30 FEEDLO CC(C)C(=O)N1CCC(NC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000329579238 553970884 /nfs/dbraw/zinc/97/08/84/553970884.db2.gz PIKCGJXCRVDWKH-KRWDZBQOSA-N 1 2 351.491 2.233 20 30 FEEDLO Cn1cnc2c(c1=O)CC[N@H+](CC(=O)N[C@H]1CCCc3ccccc31)C2 ZINC000329671731 553986143 /nfs/dbraw/zinc/98/61/43/553986143.db2.gz UFVSBGGPMMKRAA-KRWDZBQOSA-N 1 2 352.438 2.173 20 30 FEEDLO Cn1cnc2c(c1=O)CC[N@@H+](CC(=O)N[C@H]1CCCc3ccccc31)C2 ZINC000329671731 553986145 /nfs/dbraw/zinc/98/61/45/553986145.db2.gz UFVSBGGPMMKRAA-KRWDZBQOSA-N 1 2 352.438 2.173 20 30 FEEDLO CCC1(C)CN(C(=O)N[C@@H]2CCC(=O)N(C3CC3)[C@H]2c2c[nH+]cn2C)C1 ZINC000329799361 554008058 /nfs/dbraw/zinc/00/80/58/554008058.db2.gz IEGWTKJRIBJNEE-RHSMWYFYSA-N 1 2 359.474 2.261 20 30 FEEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])N[C@H]1CCc3c[nH]nc3C1)C2 ZINC000329838453 554015742 /nfs/dbraw/zinc/01/57/42/554015742.db2.gz ISUSIRBYCYDPOG-KBPBESRZSA-N 1 2 356.474 2.280 20 30 FEEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC([O-])=[NH+][C@H]1CCc3c[nH]nc3C1)C2 ZINC000329838453 554015749 /nfs/dbraw/zinc/01/57/49/554015749.db2.gz ISUSIRBYCYDPOG-KBPBESRZSA-N 1 2 356.474 2.280 20 30 FEEDLO C[NH+]1CCN(C(=O)c2cc(NC(=O)NCC3(C4CC4)CCC3)ccn2)CC1 ZINC000329859507 554020227 /nfs/dbraw/zinc/02/02/27/554020227.db2.gz WSPZDLXBRUBKLQ-UHFFFAOYSA-N 1 2 371.485 2.375 20 30 FEEDLO Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)[C@H]2C[N@H+](C)CCO2)c(C)c1 ZINC000329873061 554023129 /nfs/dbraw/zinc/02/31/29/554023129.db2.gz BXCPHDRGRORPAY-JKSUJKDBSA-N 1 2 363.483 2.124 20 30 FEEDLO Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)[C@H]2C[N@@H+](C)CCO2)c(C)c1 ZINC000329873061 554023132 /nfs/dbraw/zinc/02/31/32/554023132.db2.gz BXCPHDRGRORPAY-JKSUJKDBSA-N 1 2 363.483 2.124 20 30 FEEDLO C[C@@H]1OCC[C@@]12C[N@H+](CC(=O)NCCc1c(F)cccc1F)CCO2 ZINC000329896563 554026828 /nfs/dbraw/zinc/02/68/28/554026828.db2.gz CLNGLIYETYABTN-SCLBCKFNSA-N 1 2 354.397 2.344 20 30 FEEDLO C[C@@H]1OCC[C@@]12C[N@@H+](CC(=O)NCCc1c(F)cccc1F)CCO2 ZINC000329896563 554026832 /nfs/dbraw/zinc/02/68/32/554026832.db2.gz CLNGLIYETYABTN-SCLBCKFNSA-N 1 2 354.397 2.344 20 30 FEEDLO CC(C)c1nnc([C@H]2CN(C(=O)NCc3cn4c([nH+]3)CCCC4)CCO2)o1 ZINC000329897095 554026884 /nfs/dbraw/zinc/02/68/84/554026884.db2.gz CSSRYASKIJDUTC-CQSZACIVSA-N 1 2 374.445 2.213 20 30 FEEDLO O=C(C[N@@H+]1CCO[C@]2(CCOC2)C1)NCCc1cccc2cccnc21 ZINC000329903955 554028461 /nfs/dbraw/zinc/02/84/61/554028461.db2.gz QRPQMPPTSVMHOZ-HXUWFJFHSA-N 1 2 355.438 2.225 20 30 FEEDLO O=C(C[N@H+]1CCO[C@]2(CCOC2)C1)NCCc1cccc2cccnc21 ZINC000329903955 554028464 /nfs/dbraw/zinc/02/84/64/554028464.db2.gz QRPQMPPTSVMHOZ-HXUWFJFHSA-N 1 2 355.438 2.225 20 30 FEEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)c3cccc(Nc4ccc(C#N)cc4)c3)C[C@H]21 ZINC000329913398 554030037 /nfs/dbraw/zinc/03/00/37/554030037.db2.gz BSNPGSODPKXXAH-WOJBJXKFSA-N 1 2 362.433 2.457 20 30 FEEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)c3cccc(Nc4ccc(C#N)cc4)c3)C[C@H]21 ZINC000329913398 554030041 /nfs/dbraw/zinc/03/00/41/554030041.db2.gz BSNPGSODPKXXAH-WOJBJXKFSA-N 1 2 362.433 2.457 20 30 FEEDLO Cc1ccnc(-c2cccc(NC(=O)N3C[C@@H]4OCC[N@@H+](C)[C@H]4C3)c2)n1 ZINC000329940050 554035708 /nfs/dbraw/zinc/03/57/08/554035708.db2.gz BIPYEBSQPLPKNE-IRXDYDNUSA-N 1 2 353.426 2.012 20 30 FEEDLO Cc1ccnc(-c2cccc(NC(=O)N3C[C@@H]4OCC[N@H+](C)[C@H]4C3)c2)n1 ZINC000329940050 554035710 /nfs/dbraw/zinc/03/57/10/554035710.db2.gz BIPYEBSQPLPKNE-IRXDYDNUSA-N 1 2 353.426 2.012 20 30 FEEDLO CCO[C@@H]1C[C@](O)(CNC(=O)NC[C@@H]2CCCn3cc(C)[nH+]c32)C1(C)C ZINC000329945530 554036736 /nfs/dbraw/zinc/03/67/36/554036736.db2.gz XGQBQAUVCMPRIW-KHYOSLBOSA-N 1 2 364.490 2.139 20 30 FEEDLO CCN1CCN(C(=O)N[C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329951731 554038052 /nfs/dbraw/zinc/03/80/52/554038052.db2.gz IJPAZKSEZYDPIP-JJXSEGSLSA-N 1 2 361.490 2.206 20 30 FEEDLO CC[C@@H]1CCC[C@H]1NC(=O)NC[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000329982713 554043330 /nfs/dbraw/zinc/04/33/30/554043330.db2.gz PCFYYQGGFWWBHU-FXUDXRNXSA-N 1 2 351.470 2.415 20 30 FEEDLO COc1ccccc1[C@@H](CNS(=O)(=O)Cc1cccc(C#N)c1)[NH+](C)C ZINC000507386158 561727543 /nfs/dbraw/zinc/72/75/43/561727543.db2.gz UMMMGLDATKPGRH-GOSISDBHSA-N 1 2 373.478 2.289 20 30 FEEDLO CCC1(CC)[C@H](NC(=O)N2CCN(C)[C@H](c3[nH+]ccn3C)C2)C[C@@H]1OC ZINC000329993592 554045861 /nfs/dbraw/zinc/04/58/61/554045861.db2.gz LOBWFPOMCSTITF-XHSDSOJGSA-N 1 2 363.506 2.216 20 30 FEEDLO N#Cc1ccc(N2CCC[C@H]([N@@H+]3CCO[C@H](COCC4CC4)C3)C2=O)cc1 ZINC000330129373 554069881 /nfs/dbraw/zinc/06/98/81/554069881.db2.gz JYELMRRAMDVPAN-PMACEKPBSA-N 1 2 369.465 2.181 20 30 FEEDLO N#Cc1ccc(N2CCC[C@H]([N@H+]3CCO[C@H](COCC4CC4)C3)C2=O)cc1 ZINC000330129373 554069885 /nfs/dbraw/zinc/06/98/85/554069885.db2.gz JYELMRRAMDVPAN-PMACEKPBSA-N 1 2 369.465 2.181 20 30 FEEDLO CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000330156020 554075539 /nfs/dbraw/zinc/07/55/39/554075539.db2.gz OJXJHJGESDXCLN-LLVKDONJSA-N 1 2 361.471 2.227 20 30 FEEDLO CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000330156020 554075540 /nfs/dbraw/zinc/07/55/40/554075540.db2.gz OJXJHJGESDXCLN-LLVKDONJSA-N 1 2 361.471 2.227 20 30 FEEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)CCO1 ZINC000330282852 554099099 /nfs/dbraw/zinc/09/90/99/554099099.db2.gz AYFZJZLPZFIOGO-VBQJREDUSA-N 1 2 360.458 2.388 20 30 FEEDLO Cn1cc[nH+]c1[C@@H]1CN(C(=O)NC[C@@H]2CCc3ccccc32)CCN1C ZINC000330340680 554108352 /nfs/dbraw/zinc/10/83/52/554108352.db2.gz YFQJUYRSZZCSRB-WMZOPIPTSA-N 1 2 353.470 2.353 20 30 FEEDLO CC(=O)[C@@H](NC(=O)C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1)C(C)C ZINC000507862086 561743739 /nfs/dbraw/zinc/74/37/39/561743739.db2.gz RRHOPYHUJBWVPV-FQEVSTJZSA-N 1 2 357.454 2.131 20 30 FEEDLO Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)Nc2cccc([S@@](C)=O)c2)CCO1 ZINC000330358220 554111210 /nfs/dbraw/zinc/11/12/10/554111210.db2.gz UNPYYOCISKBKOG-ADHMFCJJSA-N 1 2 362.455 2.213 20 30 FEEDLO COCc1csc(NC(=O)N[C@@H]2CCO[C@@H](c3c[nH+]cn3C)C2)n1 ZINC000330361324 554111647 /nfs/dbraw/zinc/11/16/47/554111647.db2.gz YEAYCRHRKHJODU-ZWNOBZJWSA-N 1 2 351.432 2.269 20 30 FEEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)NCC(F)(F)C(F)F ZINC000330433095 554121344 /nfs/dbraw/zinc/12/13/44/554121344.db2.gz KJGCFQYJWJWJDJ-UHFFFAOYSA-N 1 2 350.316 2.453 20 30 FEEDLO COc1cc(NC(=O)NC[C@@H]2CN(C)CC[N@@H+]2C)ccc1OC(C)C ZINC000331005887 554200170 /nfs/dbraw/zinc/20/01/70/554200170.db2.gz SIRLTARHXKAFNY-OAHLLOKOSA-N 1 2 350.463 2.054 20 30 FEEDLO COc1cc(NC(=O)NC[C@@H]2CN(C)CC[N@H+]2C)ccc1OC(C)C ZINC000331005887 554200172 /nfs/dbraw/zinc/20/01/72/554200172.db2.gz SIRLTARHXKAFNY-OAHLLOKOSA-N 1 2 350.463 2.054 20 30 FEEDLO Cc1cc([C@H](C)NC(=O)N2CCO[C@@H](C[N@H+](C)CC(N)=O)C2)c(C)o1 ZINC000331253973 554237101 /nfs/dbraw/zinc/23/71/01/554237101.db2.gz WFOWAEXETTVFJU-JSGCOSHPSA-N 1 2 352.435 2.039 20 30 FEEDLO Cc1cc([C@H](C)NC(=O)N2CCO[C@@H](C[N@@H+](C)CC(N)=O)C2)c(C)o1 ZINC000331253973 554237104 /nfs/dbraw/zinc/23/71/04/554237104.db2.gz WFOWAEXETTVFJU-JSGCOSHPSA-N 1 2 352.435 2.039 20 30 FEEDLO C=CCn1c(Cc2ccccc2F)nnc1N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000508787811 561772999 /nfs/dbraw/zinc/77/29/99/561772999.db2.gz ADOSZGVDSHVVBB-QGZVFWFLSA-N 1 2 371.460 2.105 20 30 FEEDLO C=CCn1c(C(C)C)nnc1N1CC[NH+]([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC000508847798 561774843 /nfs/dbraw/zinc/77/48/43/561774843.db2.gz WKZZDIOCBJXCSX-INIZCTEOSA-N 1 2 374.533 2.157 20 30 FEEDLO C=CCn1c(-c2ccc(C)c(F)c2)nnc1N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000508932512 561778654 /nfs/dbraw/zinc/77/86/54/561778654.db2.gz UFBFPGYLIYSGRB-QGZVFWFLSA-N 1 2 371.460 2.490 20 30 FEEDLO CC[C@@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@H]1CCCO1 ZINC000331857727 554332711 /nfs/dbraw/zinc/33/27/11/554332711.db2.gz XUEMPBAKZXIWGP-RTBURBONSA-N 1 2 356.470 2.343 20 30 FEEDLO Cc1cc[nH+]cc1N1CCN([C@H](C)C(=O)NC2(C#N)CCCCC2)CC1 ZINC000332070993 554374053 /nfs/dbraw/zinc/37/40/53/554374053.db2.gz VLSDOKLUOCEBPV-QGZVFWFLSA-N 1 2 355.486 2.243 20 30 FEEDLO Cn1cc(C[NH+]2CCN(C(=O)C(C)(C)c3cc(F)cc(C#N)c3)CC2)cn1 ZINC000510347905 561832153 /nfs/dbraw/zinc/83/21/53/561832153.db2.gz VABHGCQLMGIWBO-UHFFFAOYSA-N 1 2 369.444 2.053 20 30 FEEDLO N#CC1(NC(=O)C[N@@H+]2CC[C@]3(C2)CC(=O)c2ccccc2O3)CCCCC1 ZINC000333684295 554633128 /nfs/dbraw/zinc/63/31/28/554633128.db2.gz AEWNKOTYGAOJJO-OAQYLSRUSA-N 1 2 367.449 2.439 20 30 FEEDLO N#CC1(NC(=O)C[N@H+]2CC[C@]3(C2)CC(=O)c2ccccc2O3)CCCCC1 ZINC000333684295 554633129 /nfs/dbraw/zinc/63/31/29/554633129.db2.gz AEWNKOTYGAOJJO-OAQYLSRUSA-N 1 2 367.449 2.439 20 30 FEEDLO CN(Cc1cn2c([nH+]1)CCCC2)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000334022141 554669540 /nfs/dbraw/zinc/66/95/40/554669540.db2.gz DKUXBSHUUPAOAO-OAHLLOKOSA-N 1 2 355.467 2.390 20 30 FEEDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])CCS(=O)(=O)c1cccc(C#N)c1 ZINC000511124829 561858326 /nfs/dbraw/zinc/85/83/26/561858326.db2.gz MLRPZHJTFDDIIC-UHFFFAOYSA-N 1 2 373.434 2.415 20 30 FEEDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CCS(=O)(=O)c1cccc(C#N)c1 ZINC000511124829 561858327 /nfs/dbraw/zinc/85/83/27/561858327.db2.gz MLRPZHJTFDDIIC-UHFFFAOYSA-N 1 2 373.434 2.415 20 30 FEEDLO COC(=O)[C@@H]1C[C@@H](OC)C[N@H+]1Cc1ccc(OC)c(OCCCC#N)c1 ZINC000362375560 554967019 /nfs/dbraw/zinc/96/70/19/554967019.db2.gz GKOGIZOOUIBBKI-CVEARBPZSA-N 1 2 362.426 2.140 20 30 FEEDLO COC(=O)[C@@H]1C[C@@H](OC)C[N@@H+]1Cc1ccc(OC)c(OCCCC#N)c1 ZINC000362375560 554967020 /nfs/dbraw/zinc/96/70/20/554967020.db2.gz GKOGIZOOUIBBKI-CVEARBPZSA-N 1 2 362.426 2.140 20 30 FEEDLO Cc1[nH+]c2ccccn2c1[C@H]1C(=O)NCCN1Cc1ccc(F)c(C#N)c1 ZINC000362822992 554990835 /nfs/dbraw/zinc/99/08/35/554990835.db2.gz NZWFMJWMDBTVNI-IBGZPJMESA-N 1 2 363.396 2.327 20 30 FEEDLO COc1ccc(CC(=O)N2CCC[N@H+](C[C@@H](C#N)CCC#N)CC2)cc1 ZINC000363202721 555052309 /nfs/dbraw/zinc/05/23/09/555052309.db2.gz WOUCDPOEDMPTTB-GOSISDBHSA-N 1 2 354.454 2.216 20 30 FEEDLO COc1ccc(CC(=O)N2CCC[N@@H+](C[C@@H](C#N)CCC#N)CC2)cc1 ZINC000363202721 555052311 /nfs/dbraw/zinc/05/23/11/555052311.db2.gz WOUCDPOEDMPTTB-GOSISDBHSA-N 1 2 354.454 2.216 20 30 FEEDLO C=CCNC(=O)NC(=O)C[N@@H+](C)[C@H](c1cccc(F)c1)c1ccccn1 ZINC000363388079 555092173 /nfs/dbraw/zinc/09/21/73/555092173.db2.gz ORQRUXBZUVALQB-GOSISDBHSA-N 1 2 356.401 2.254 20 30 FEEDLO C=CCNC(=O)NC(=O)C[N@H+](C)[C@H](c1cccc(F)c1)c1ccccn1 ZINC000363388079 555092175 /nfs/dbraw/zinc/09/21/75/555092175.db2.gz ORQRUXBZUVALQB-GOSISDBHSA-N 1 2 356.401 2.254 20 30 FEEDLO C[NH+]1CCN(C[C@H]2CCCN(C(=O)CSc3ccc(C#N)cc3)C2)CC1 ZINC000363672025 555160477 /nfs/dbraw/zinc/16/04/77/555160477.db2.gz MESQNRFHDDXUJN-GOSISDBHSA-N 1 2 372.538 2.136 20 30 FEEDLO Cc1nc(C[N@@H+](C)[C@@H]2CCCN(c3ncc([N+](=O)[O-])cc3C#N)CC2)no1 ZINC000364665906 555368104 /nfs/dbraw/zinc/36/81/04/555368104.db2.gz UTCZULJNSFCQJY-CQSZACIVSA-N 1 2 371.401 2.044 20 30 FEEDLO Cc1nc(C[N@H+](C)[C@@H]2CCCN(c3ncc([N+](=O)[O-])cc3C#N)CC2)no1 ZINC000364665906 555368106 /nfs/dbraw/zinc/36/81/06/555368106.db2.gz UTCZULJNSFCQJY-CQSZACIVSA-N 1 2 371.401 2.044 20 30 FEEDLO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C ZINC000365641994 555629191 /nfs/dbraw/zinc/62/91/91/555629191.db2.gz GVYUFUORPDFDBN-YVWKXTFCSA-N 1 2 371.481 2.283 20 30 FEEDLO N#Cc1ccc([C@@H](C(N)=O)[N@@H+]2CCCN(c3ccccc3F)CC2)cc1 ZINC000513392273 561936418 /nfs/dbraw/zinc/93/64/18/561936418.db2.gz OINPYGWDRKFXOW-IBGZPJMESA-N 1 2 352.413 2.436 20 30 FEEDLO N#Cc1ccc([C@@H](C(N)=O)[N@H+]2CCCN(c3ccccc3F)CC2)cc1 ZINC000513392273 561936419 /nfs/dbraw/zinc/93/64/19/561936419.db2.gz OINPYGWDRKFXOW-IBGZPJMESA-N 1 2 352.413 2.436 20 30 FEEDLO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H]3C(=O)NC[C@H]32)ccc1Cl ZINC000366889325 555960828 /nfs/dbraw/zinc/96/08/28/555960828.db2.gz WGDDUIDGYPCQKW-NVXWUHKLSA-N 1 2 374.872 2.106 20 30 FEEDLO Cc1cc(N(CCC#N)C(=O)C[N@H+]2CCC[C@H]3C(=O)NC[C@H]32)ccc1Cl ZINC000366889325 555960831 /nfs/dbraw/zinc/96/08/31/555960831.db2.gz WGDDUIDGYPCQKW-NVXWUHKLSA-N 1 2 374.872 2.106 20 30 FEEDLO CCCOc1cn(-c2ccccc2)nc1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000514604338 561969465 /nfs/dbraw/zinc/96/94/65/561969465.db2.gz DLLUVRDOTHOHFB-LJQANCHMSA-N 1 2 355.442 2.235 20 30 FEEDLO Cc1c([C@@H]2CCC[N@@H+]2CCS(=O)(=O)c2ccc(C#N)cc2)cnn1C ZINC000367330075 556020031 /nfs/dbraw/zinc/02/00/31/556020031.db2.gz HBBWEEFJCJJBRE-SFHVURJKSA-N 1 2 358.467 2.211 20 30 FEEDLO Cc1c([C@@H]2CCC[N@H+]2CCS(=O)(=O)c2ccc(C#N)cc2)cnn1C ZINC000367330075 556020033 /nfs/dbraw/zinc/02/00/33/556020033.db2.gz HBBWEEFJCJJBRE-SFHVURJKSA-N 1 2 358.467 2.211 20 30 FEEDLO C=CCn1c(=O)c2ccc(C(=O)N(C)[C@H]3CCC[NH2+]CC3)cc2[nH]c1=S ZINC000367642359 556103496 /nfs/dbraw/zinc/10/34/96/556103496.db2.gz HYIDPOCEXIUBMM-AWEZNQCLSA-N 1 2 372.494 2.085 20 30 FEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](CCOC)[C@@H]1CCCc2cccnc21 ZINC000368373061 556290342 /nfs/dbraw/zinc/29/03/42/556290342.db2.gz AVGUVJOVOQNLDP-SJLPKXTDSA-N 1 2 358.486 2.416 20 30 FEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](CCOC)[C@@H]1CCCc2cccnc21 ZINC000368373061 556290345 /nfs/dbraw/zinc/29/03/45/556290345.db2.gz AVGUVJOVOQNLDP-SJLPKXTDSA-N 1 2 358.486 2.416 20 30 FEEDLO Cn1cc(CN(CCn2cc[nH+]c2)C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)cn1 ZINC000515489684 562012810 /nfs/dbraw/zinc/01/28/10/562012810.db2.gz FHUPUPUYFAOKQR-VQTJNVASSA-N 1 2 374.448 2.321 20 30 FEEDLO C[C@H]1CC[S@](=O)CC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000369359721 556579485 /nfs/dbraw/zinc/57/94/85/556579485.db2.gz UJLSWLSUGHYCQJ-MCFWBGNESA-N 1 2 365.524 2.280 20 30 FEEDLO C[C@H]1CC[S@](=O)CC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000369359721 556579488 /nfs/dbraw/zinc/57/94/88/556579488.db2.gz UJLSWLSUGHYCQJ-MCFWBGNESA-N 1 2 365.524 2.280 20 30 FEEDLO CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)C[C@]2(CCCOC2)O1 ZINC000369549030 556628515 /nfs/dbraw/zinc/62/85/15/556628515.db2.gz HFIKQTKZKJXHAU-QKLQHJQFSA-N 1 2 363.502 2.378 20 30 FEEDLO CC[C@@H]1C[N@H+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)C[C@]2(CCCOC2)O1 ZINC000369549030 556628516 /nfs/dbraw/zinc/62/85/16/556628516.db2.gz HFIKQTKZKJXHAU-QKLQHJQFSA-N 1 2 363.502 2.378 20 30 FEEDLO N#Cc1ccc(OCCNC(=O)[C@H]2CCCN(c3cccc[nH+]3)C2)cc1 ZINC000369668946 556663727 /nfs/dbraw/zinc/66/37/27/556663727.db2.gz ZGCKGQFWGBJYIC-KRWDZBQOSA-N 1 2 350.422 2.365 20 30 FEEDLO COc1cc(C[NH+]2CCC(n3cnc(C#N)n3)CC2)c([N+](=O)[O-])cc1F ZINC000369730844 556680079 /nfs/dbraw/zinc/68/00/79/556680079.db2.gz RQSKGPOZAINICH-UHFFFAOYSA-N 1 2 360.349 2.043 20 30 FEEDLO N#Cc1cccc(-n2ccc(C(=O)N3CC[C@@H](Oc4cc[nH+]cc4)C3)n2)c1 ZINC000369740927 556682312 /nfs/dbraw/zinc/68/23/12/556682312.db2.gz UOFABVQBZDSNOV-GOSISDBHSA-N 1 2 359.389 2.432 20 30 FEEDLO CCN(Cc1ccccc1)C(=O)C[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000516376344 562041145 /nfs/dbraw/zinc/04/11/45/562041145.db2.gz OBYQJTQSLUSDOG-UHFFFAOYSA-N 1 2 363.465 2.124 20 30 FEEDLO C[C@@H]1C[C@]2(C[C@@H]2C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCO1 ZINC000369900227 556725284 /nfs/dbraw/zinc/72/52/84/556725284.db2.gz AIFRITRRLCHZEP-BSIFCXSSSA-N 1 2 353.466 2.408 20 30 FEEDLO Cn1cc2c(n1)CCC[C@@H]2C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000370240891 556819865 /nfs/dbraw/zinc/81/98/65/556819865.db2.gz LOIMURPFUVZHET-SFHVURJKSA-N 1 2 363.465 2.056 20 30 FEEDLO Cc1cc(N2CCC(NC(=O)Cc3ccc(OCC#N)cc3)CC2)nc[nH+]1 ZINC000370310127 556836428 /nfs/dbraw/zinc/83/64/28/556836428.db2.gz OTCCQVJLABYBNR-UHFFFAOYSA-N 1 2 365.437 2.015 20 30 FEEDLO COc1cc(C#N)ccc1OCCCC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000371279480 557129240 /nfs/dbraw/zinc/12/92/40/557129240.db2.gz ISZQWDFZXWIXRD-CQSZACIVSA-N 1 2 354.410 2.123 20 30 FEEDLO COc1cc(C#N)ccc1OCCCC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000371279480 557129242 /nfs/dbraw/zinc/12/92/42/557129242.db2.gz ISZQWDFZXWIXRD-CQSZACIVSA-N 1 2 354.410 2.123 20 30 FEEDLO N#Cc1cccc(CNC(=O)C[N@@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)c1 ZINC000371384579 557169633 /nfs/dbraw/zinc/16/96/33/557169633.db2.gz LWTXUNQYCASVGI-QGZVFWFLSA-N 1 2 364.453 2.050 20 30 FEEDLO N#Cc1cccc(CNC(=O)C[N@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)c1 ZINC000371384579 557169635 /nfs/dbraw/zinc/16/96/35/557169635.db2.gz LWTXUNQYCASVGI-QGZVFWFLSA-N 1 2 364.453 2.050 20 30 FEEDLO N#Cc1cccc(CNC(=O)C[N@@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)c1 ZINC000371384579 557169637 /nfs/dbraw/zinc/16/96/37/557169637.db2.gz LWTXUNQYCASVGI-QGZVFWFLSA-N 1 2 364.453 2.050 20 30 FEEDLO N#Cc1cccc(CNC(=O)C[N@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)c1 ZINC000371384579 557169640 /nfs/dbraw/zinc/16/96/40/557169640.db2.gz LWTXUNQYCASVGI-QGZVFWFLSA-N 1 2 364.453 2.050 20 30 FEEDLO CN(Cc1[nH+]ccn1CC(F)(F)F)S(=O)(=O)Cc1cccc(C#N)c1 ZINC000518146795 562105221 /nfs/dbraw/zinc/10/52/21/562105221.db2.gz JBQJDNSROARMGR-UHFFFAOYSA-N 1 2 372.372 2.279 20 30 FEEDLO N#Cc1cc(C[NH+]2CCOCC2)cn(Cc2cc(F)ccc2Cl)c1=O ZINC000518268116 562107553 /nfs/dbraw/zinc/10/75/53/562107553.db2.gz ROKQBUMGOKEJHK-UHFFFAOYSA-N 1 2 361.804 2.393 20 30 FEEDLO C=CCC[C@@H](C(=O)N1CCC[N@@H+](CC(=O)N(C)C)CC1)c1ccccc1 ZINC000372358617 557449792 /nfs/dbraw/zinc/44/97/92/557449792.db2.gz NRYBCKPIOSKMMV-LJQANCHMSA-N 1 2 357.498 2.359 20 30 FEEDLO C=CCC[C@@H](C(=O)N1CCC[N@H+](CC(=O)N(C)C)CC1)c1ccccc1 ZINC000372358617 557449795 /nfs/dbraw/zinc/44/97/95/557449795.db2.gz NRYBCKPIOSKMMV-LJQANCHMSA-N 1 2 357.498 2.359 20 30 FEEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(c2nc(N(C)C)no2)CC1 ZINC000373545323 557715673 /nfs/dbraw/zinc/71/56/73/557715673.db2.gz SKMXTSKGMNICJY-CYBMUJFWSA-N 1 2 368.441 2.214 20 30 FEEDLO C=CC[C@H](CC)NC(=O)N1CCNC(=O)[C@H]1c1c(C)[nH+]c2ccccn21 ZINC000373963013 557797075 /nfs/dbraw/zinc/79/70/75/557797075.db2.gz RQICAARXLFLMSQ-WMLDXEAASA-N 1 2 355.442 2.180 20 30 FEEDLO N#Cc1ccc(Br)c(C[N@@H+]2CC[C@@H]3COC(=O)N[C@H]3C2)c1 ZINC000374169311 557836172 /nfs/dbraw/zinc/83/61/72/557836172.db2.gz DVXMLPQXVKXFSQ-RISCZKNCSA-N 1 2 350.216 2.251 20 30 FEEDLO N#Cc1ccc(Br)c(C[N@H+]2CC[C@@H]3COC(=O)N[C@H]3C2)c1 ZINC000374169311 557836174 /nfs/dbraw/zinc/83/61/74/557836174.db2.gz DVXMLPQXVKXFSQ-RISCZKNCSA-N 1 2 350.216 2.251 20 30 FEEDLO Cn1cc[nH+]c1[C@@H]1CCN(S(=O)(=O)c2cccc(Cl)c2C#N)C1 ZINC000374353753 557870330 /nfs/dbraw/zinc/87/03/30/557870330.db2.gz SCUZNOHSPIVVNX-LLVKDONJSA-N 1 2 350.831 2.123 20 30 FEEDLO COc1cccc(OCC[N@@H+]2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)c1 ZINC000374390454 557877335 /nfs/dbraw/zinc/87/73/35/557877335.db2.gz WLMBVWNAIMOFOD-VFNWGFHPSA-N 1 2 363.417 2.419 20 30 FEEDLO COc1cccc(OCC[N@H+]2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)c1 ZINC000374390454 557877336 /nfs/dbraw/zinc/87/73/36/557877336.db2.gz WLMBVWNAIMOFOD-VFNWGFHPSA-N 1 2 363.417 2.419 20 30 FEEDLO CC(C)(C)OC(=O)CNC(=O)C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000374616226 557907175 /nfs/dbraw/zinc/90/71/75/557907175.db2.gz YAEPKZCTWMHIGU-UHFFFAOYSA-N 1 2 355.438 2.105 20 30 FEEDLO CC(C)(C)OC(=O)CNC(=O)C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000374616226 557907176 /nfs/dbraw/zinc/90/71/76/557907176.db2.gz YAEPKZCTWMHIGU-UHFFFAOYSA-N 1 2 355.438 2.105 20 30 FEEDLO N#Cc1ccc(N2CCC[C@@H]([NH+]3CCC(c4nc[nH]n4)CC3)C2=O)cc1 ZINC000374899148 557948121 /nfs/dbraw/zinc/94/81/21/557948121.db2.gz VAFNWFHHBXJSIU-QGZVFWFLSA-N 1 2 350.426 2.051 20 30 FEEDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)C1 ZINC000375719195 558072555 /nfs/dbraw/zinc/07/25/55/558072555.db2.gz NTWNJZIXMNPSPR-LBPRGKRZSA-N 1 2 371.828 2.290 20 30 FEEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000375920720 558099952 /nfs/dbraw/zinc/09/99/52/558099952.db2.gz OIPPRUQNNZSCIE-KUHUBIRLSA-N 1 2 372.494 2.089 20 30 FEEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000375920720 558099953 /nfs/dbraw/zinc/09/99/53/558099953.db2.gz OIPPRUQNNZSCIE-KUHUBIRLSA-N 1 2 372.494 2.089 20 30 FEEDLO Cc1sc2nc(C[NH+]3CCC(n4cnc(C#N)n4)CC3)[nH]c(=O)c2c1C ZINC000375922165 558100035 /nfs/dbraw/zinc/10/00/35/558100035.db2.gz UUSHAANNIVFDGK-UHFFFAOYSA-N 1 2 369.454 2.314 20 30 FEEDLO CN(C)c1[nH+]cccc1CNC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000375944157 558103459 /nfs/dbraw/zinc/10/34/59/558103459.db2.gz DTCJNMDGRCUFDR-INIZCTEOSA-N 1 2 367.428 2.301 20 30 FEEDLO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(c3ccncc3C#N)C2)CC1 ZINC000376197452 558139593 /nfs/dbraw/zinc/13/95/93/558139593.db2.gz FWISXVWTTGNINM-MRXNPFEDSA-N 1 2 357.458 2.085 20 30 FEEDLO C=CCOCCCC(=O)N1CCC[C@H]([N@H+](C)Cc2noc(C)n2)CC1 ZINC000376245783 558147050 /nfs/dbraw/zinc/14/70/50/558147050.db2.gz USNWZOOYLHTSFU-INIZCTEOSA-N 1 2 350.463 2.174 20 30 FEEDLO C=CCOCCCC(=O)N1CCC[C@H]([N@@H+](C)Cc2noc(C)n2)CC1 ZINC000376245783 558147052 /nfs/dbraw/zinc/14/70/52/558147052.db2.gz USNWZOOYLHTSFU-INIZCTEOSA-N 1 2 350.463 2.174 20 30 FEEDLO C[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(C#N)o2)[C@@H]1c1ccc(F)c(F)c1 ZINC000376353560 558162111 /nfs/dbraw/zinc/16/21/11/558162111.db2.gz YWHUPIHSZGTPDB-HOCLYGCPSA-N 1 2 367.377 2.153 20 30 FEEDLO C[N@H+]1CC[C@H](NS(=O)(=O)c2ccc(C#N)o2)[C@@H]1c1ccc(F)c(F)c1 ZINC000376353560 558162112 /nfs/dbraw/zinc/16/21/12/558162112.db2.gz YWHUPIHSZGTPDB-HOCLYGCPSA-N 1 2 367.377 2.153 20 30 FEEDLO C=CCN(C(=O)CCn1cc[nH+]c1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000521800796 562183674 /nfs/dbraw/zinc/18/36/74/562183674.db2.gz MVSXZJQKSLMCLL-OAHLLOKOSA-N 1 2 351.414 2.025 20 30 FEEDLO N#CC1(c2ccccn2)CC[NH+](CC(=O)NC(=O)Nc2ccccc2)CC1 ZINC000376737711 558215212 /nfs/dbraw/zinc/21/52/12/558215212.db2.gz QOVUZIHOYLRPGX-UHFFFAOYSA-N 1 2 363.421 2.287 20 30 FEEDLO C#CCC(CC#C)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000376976233 558247178 /nfs/dbraw/zinc/24/71/78/558247178.db2.gz BHTUKFDWXXWIMA-OALUTQOASA-N 1 2 358.869 2.491 20 30 FEEDLO C#CCC(CC#C)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000376976233 558247179 /nfs/dbraw/zinc/24/71/79/558247179.db2.gz BHTUKFDWXXWIMA-OALUTQOASA-N 1 2 358.869 2.491 20 30 FEEDLO CN(C1CCN(c2cccc[nH+]2)CC1)S(=O)(=O)Cc1ccc(C#N)cc1 ZINC000377377402 558329235 /nfs/dbraw/zinc/32/92/35/558329235.db2.gz FTQGSEUWDZEEBJ-UHFFFAOYSA-N 1 2 370.478 2.384 20 30 FEEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)c1 ZINC000377768797 558416060 /nfs/dbraw/zinc/41/60/60/558416060.db2.gz SDKLLVKVSZJYOG-QZTJIDSGSA-N 1 2 360.479 2.365 20 30 FEEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)c1 ZINC000377768797 558416062 /nfs/dbraw/zinc/41/60/62/558416062.db2.gz SDKLLVKVSZJYOG-QZTJIDSGSA-N 1 2 360.479 2.365 20 30 FEEDLO COC(=O)C[C@@H]1COCC[N@@H+]1Cc1cccn1Cc1ccccc1C#N ZINC000377863162 558437136 /nfs/dbraw/zinc/43/71/36/558437136.db2.gz CTXRATNUZPHTAG-LJQANCHMSA-N 1 2 353.422 2.172 20 30 FEEDLO COC(=O)C[C@@H]1COCC[N@H+]1Cc1cccn1Cc1ccccc1C#N ZINC000377863162 558437139 /nfs/dbraw/zinc/43/71/39/558437139.db2.gz CTXRATNUZPHTAG-LJQANCHMSA-N 1 2 353.422 2.172 20 30 FEEDLO O=C(C#Cc1ccc2c(c1)OCO2)NC1CC[NH+](Cc2cscn2)CC1 ZINC000378143461 558490512 /nfs/dbraw/zinc/49/05/12/558490512.db2.gz SIOPZMIQDPPOES-UHFFFAOYSA-N 1 2 369.446 2.004 20 30 FEEDLO N#C[C@@H]1C[N@@H+](C[C@@H](O)c2c(F)cccc2F)C[C@]12C(=O)Nc1ccccc12 ZINC000378258662 558513944 /nfs/dbraw/zinc/51/39/44/558513944.db2.gz JOZFQGUWKYGKRO-XSXHMXBXSA-N 1 2 369.371 2.344 20 30 FEEDLO N#C[C@@H]1C[N@H+](C[C@@H](O)c2c(F)cccc2F)C[C@]12C(=O)Nc1ccccc12 ZINC000378258662 558513945 /nfs/dbraw/zinc/51/39/45/558513945.db2.gz JOZFQGUWKYGKRO-XSXHMXBXSA-N 1 2 369.371 2.344 20 30 FEEDLO C[C@@H](C(=O)N1CCC(C)CC1)[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000407967995 558633933 /nfs/dbraw/zinc/63/39/33/558633933.db2.gz DXZSPVFAJDMTSF-INIZCTEOSA-N 1 2 358.461 2.466 20 30 FEEDLO C[C@@H]1[C@@H](C)[N@H+](C)CCN1S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000408084271 558645049 /nfs/dbraw/zinc/64/50/49/558645049.db2.gz OBFXYYNLUSIBAQ-GHMZBOCLSA-N 1 2 372.288 2.034 20 30 FEEDLO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000408084271 558645051 /nfs/dbraw/zinc/64/50/51/558645051.db2.gz OBFXYYNLUSIBAQ-GHMZBOCLSA-N 1 2 372.288 2.034 20 30 FEEDLO FC(F)C(F)(F)CN1CCN(Cc2[nH+]ccn2CC(F)(F)F)CC1 ZINC000409448259 558691855 /nfs/dbraw/zinc/69/18/55/558691855.db2.gz BIYWNCBNNBRACT-UHFFFAOYSA-N 1 2 362.293 2.463 20 30 FEEDLO CCN(C[C@H](C)C#N)S(=O)(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000409493664 558697357 /nfs/dbraw/zinc/69/73/57/558697357.db2.gz LBYUETMNGUCZDN-MRXNPFEDSA-N 1 2 367.519 2.102 20 30 FEEDLO C=C(C)CN(C)C(=O)C(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000410705796 558801351 /nfs/dbraw/zinc/80/13/51/558801351.db2.gz QUWLSBIQLBUPGH-UHFFFAOYSA-N 1 2 358.486 2.181 20 30 FEEDLO C=CCN(C)C(=O)C(=O)N1CC[N@@H+](Cc2ccc(C)nc2)C[C@@H]1[C@H](C)CC ZINC000410956719 558827594 /nfs/dbraw/zinc/82/75/94/558827594.db2.gz MADABXJFUILAPW-VQIMIIECSA-N 1 2 372.513 2.093 20 30 FEEDLO C=CCN(C)C(=O)C(=O)N1CC[N@H+](Cc2ccc(C)nc2)C[C@@H]1[C@H](C)CC ZINC000410956719 558827595 /nfs/dbraw/zinc/82/75/95/558827595.db2.gz MADABXJFUILAPW-VQIMIIECSA-N 1 2 372.513 2.093 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)c3cc4ccccc4o3)C2)C1=O ZINC000525709067 562252862 /nfs/dbraw/zinc/25/28/62/562252862.db2.gz JWHKRZWJRHTSJM-IRXDYDNUSA-N 1 2 367.449 2.414 20 30 FEEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)c3cc4ccccc4o3)C2)C1=O ZINC000525709067 562252863 /nfs/dbraw/zinc/25/28/63/562252863.db2.gz JWHKRZWJRHTSJM-IRXDYDNUSA-N 1 2 367.449 2.414 20 30 FEEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)c3cc4ccccc4o3)C2)C1=O ZINC000525709066 562252978 /nfs/dbraw/zinc/25/29/78/562252978.db2.gz JWHKRZWJRHTSJM-IAGOWNOFSA-N 1 2 367.449 2.414 20 30 FEEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)c3cc4ccccc4o3)C2)C1=O ZINC000525709066 562252979 /nfs/dbraw/zinc/25/29/79/562252979.db2.gz JWHKRZWJRHTSJM-IAGOWNOFSA-N 1 2 367.449 2.414 20 30 FEEDLO N#Cc1cccc(S(=O)(=O)CC[NH+]2CCC(c3ccncn3)CC2)c1 ZINC000411830683 558971923 /nfs/dbraw/zinc/97/19/23/558971923.db2.gz YXJMXNKHZKFWEH-UHFFFAOYSA-N 1 2 356.451 2.002 20 30 FEEDLO CCOc1ccccc1-c1nnc(SC[C@H](O)C[N@H+](C)CCC#N)o1 ZINC000414092311 559149053 /nfs/dbraw/zinc/14/90/53/559149053.db2.gz FTTACVHSJZJAAY-CYBMUJFWSA-N 1 2 362.455 2.434 20 30 FEEDLO CCOc1ccccc1-c1nnc(SC[C@H](O)C[N@@H+](C)CCC#N)o1 ZINC000414092311 559149054 /nfs/dbraw/zinc/14/90/54/559149054.db2.gz FTTACVHSJZJAAY-CYBMUJFWSA-N 1 2 362.455 2.434 20 30 FEEDLO CCn1c(Cc2ccccc2)nnc1SC[C@@H](O)C[N@H+](C)CCC#N ZINC000414098938 559149213 /nfs/dbraw/zinc/14/92/13/559149213.db2.gz PUMNETIZNJCFRS-INIZCTEOSA-N 1 2 359.499 2.187 20 30 FEEDLO CCn1c(Cc2ccccc2)nnc1SC[C@@H](O)C[N@@H+](C)CCC#N ZINC000414098938 559149214 /nfs/dbraw/zinc/14/92/14/559149214.db2.gz PUMNETIZNJCFRS-INIZCTEOSA-N 1 2 359.499 2.187 20 30 FEEDLO Cc1cc(NC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)c(C#N)cc1N(C)C ZINC000417161740 559350612 /nfs/dbraw/zinc/35/06/12/559350612.db2.gz QSPILMMXUPKGNP-KRWDZBQOSA-N 1 2 371.485 2.261 20 30 FEEDLO CC(=O)N[C@@H]1CC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000420965276 559514874 /nfs/dbraw/zinc/51/48/74/559514874.db2.gz YDAKQLVASXIYNB-SJLPKXTDSA-N 1 2 356.470 2.149 20 30 FEEDLO CC(=O)N[C@@H]1CC[N@H+]([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000420965276 559514875 /nfs/dbraw/zinc/51/48/75/559514875.db2.gz YDAKQLVASXIYNB-SJLPKXTDSA-N 1 2 356.470 2.149 20 30 FEEDLO N#Cc1ccc(CNC(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)s1 ZINC000421925052 559556930 /nfs/dbraw/zinc/55/69/30/559556930.db2.gz VDWYBXPJAWHNND-GOSISDBHSA-N 1 2 355.463 2.434 20 30 FEEDLO CC(C)(C)OC(=O)C[NH2+][C@@]1(C)CCN(c2ncc3c(c2C#N)CCC3)C1 ZINC000425263006 559693897 /nfs/dbraw/zinc/69/38/97/559693897.db2.gz SPLPAELXOPAJTL-FQEVSTJZSA-N 1 2 356.470 2.342 20 30 FEEDLO COC(=O)c1cnc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2C#N)s1 ZINC000425481834 559704710 /nfs/dbraw/zinc/70/47/10/559704710.db2.gz GKMPCJIFUYHMOH-MNOVXSKESA-N 1 2 358.423 2.479 20 30 FEEDLO C[C@H]1CCC[N@H+](CC(=O)N(CCC#N)CCC#N)[C@@H]1C(=O)OC(C)(C)C ZINC000425524654 559707827 /nfs/dbraw/zinc/70/78/27/559707827.db2.gz RJPIILJJVJGKIQ-RDJZCZTQSA-N 1 2 362.474 2.085 20 30 FEEDLO C[C@H]1CCC[N@@H+](CC(=O)N(CCC#N)CCC#N)[C@@H]1C(=O)OC(C)(C)C ZINC000425524654 559707828 /nfs/dbraw/zinc/70/78/28/559707828.db2.gz RJPIILJJVJGKIQ-RDJZCZTQSA-N 1 2 362.474 2.085 20 30 FEEDLO C[C@@H]1CN(c2ccc(CNC(=O)NCC3(CC#N)CC3)c[nH+]2)C[C@@H](C)O1 ZINC000430190651 559815057 /nfs/dbraw/zinc/81/50/57/559815057.db2.gz GVEQYWMKWYRRGA-HUUCEWRRSA-N 1 2 357.458 2.188 20 30 FEEDLO Cc1c(C#N)cccc1NC(=O)C(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000431986921 559849949 /nfs/dbraw/zinc/84/99/49/559849949.db2.gz OIUJYFLSTPCRSA-UHFFFAOYSA-N 1 2 373.416 2.582 20 30 FEEDLO C[C@H]([NH2+]CC(=O)NCc1cccc(C#N)c1)c1ncc(Br)cn1 ZINC000432983863 559869284 /nfs/dbraw/zinc/86/92/84/559869284.db2.gz KPSAQBUQNWZJOY-NSHDSACASA-N 1 2 374.242 2.078 20 30 FEEDLO Cc1cc(N2CCN(C(=O)CN(C)CC(C)(C)C#N)CC2)nc(C(C)C)[nH+]1 ZINC000433306497 559876359 /nfs/dbraw/zinc/87/63/59/559876359.db2.gz RITIGCAZHMAVTJ-UHFFFAOYSA-N 1 2 372.517 2.039 20 30 FEEDLO C[C@H](CN1CCOCC1)[N@H+](C)Cc1ccc(C#N)cc1Br ZINC000434712438 559907400 /nfs/dbraw/zinc/90/74/00/559907400.db2.gz BXIRTCHOQRKVGP-CYBMUJFWSA-N 1 2 352.276 2.473 20 30 FEEDLO C[C@H](CN1CCOCC1)[N@@H+](C)Cc1ccc(C#N)cc1Br ZINC000434712438 559907401 /nfs/dbraw/zinc/90/74/01/559907401.db2.gz BXIRTCHOQRKVGP-CYBMUJFWSA-N 1 2 352.276 2.473 20 30 FEEDLO CCCNC(=O)C[C@@H](C(N)=O)[N@H+](CCC)Cc1ccc(C#N)cc1Cl ZINC000439445616 559994023 /nfs/dbraw/zinc/99/40/23/559994023.db2.gz VYQFHJIOMFXGHI-INIZCTEOSA-N 1 2 364.877 2.194 20 30 FEEDLO CCCNC(=O)C[C@@H](C(N)=O)[N@@H+](CCC)Cc1ccc(C#N)cc1Cl ZINC000439445616 559994024 /nfs/dbraw/zinc/99/40/24/559994024.db2.gz VYQFHJIOMFXGHI-INIZCTEOSA-N 1 2 364.877 2.194 20 30 FEEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000440268695 560007673 /nfs/dbraw/zinc/00/76/73/560007673.db2.gz IXTPVEFYAIYVJD-UONOGXRCSA-N 1 2 360.483 2.182 20 30 FEEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000440268695 560007674 /nfs/dbraw/zinc/00/76/74/560007674.db2.gz IXTPVEFYAIYVJD-UONOGXRCSA-N 1 2 360.483 2.182 20 30 FEEDLO CC(C)(C)OC(=O)C[NH2+][C@]1(C)CCN(c2c(C#N)nnc3ccccc32)C1 ZINC000440648883 560015310 /nfs/dbraw/zinc/01/53/10/560015310.db2.gz PFYCYQFRTVAYRE-HXUWFJFHSA-N 1 2 367.453 2.402 20 30 FEEDLO CCC1CCC([NH2+]C[C@H](O)COc2ccc(C#N)cc2)(C(=O)OC)CC1 ZINC000440917524 560019588 /nfs/dbraw/zinc/01/95/88/560019588.db2.gz WUPFPHXLNAIWRS-CMVHYPBASA-N 1 2 360.454 2.400 20 30 FEEDLO C=CC[NH+](CC=C)[C@H](CNC(=O)c1ccc(-c2nc(=O)o[nH]2)cc1)C(C)C ZINC000441867324 560040180 /nfs/dbraw/zinc/04/01/80/560040180.db2.gz CVQUSYFTYODHIV-QGZVFWFLSA-N 1 2 370.453 2.458 20 30 FEEDLO C=CCCn1cc(C[NH+]2CCC(NC(=O)c3oc(C)cc3C)CC2)nn1 ZINC000527578481 562295804 /nfs/dbraw/zinc/29/58/04/562295804.db2.gz VLYWLAOBFZODRW-UHFFFAOYSA-N 1 2 357.458 2.458 20 30 FEEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+](C)Cc2cc(F)cc(F)c2)CC1 ZINC000444711843 560118695 /nfs/dbraw/zinc/11/86/95/560118695.db2.gz XYPFHDFNAJAITF-SFHVURJKSA-N 1 2 364.440 2.089 20 30 FEEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+](C)Cc2cc(F)cc(F)c2)CC1 ZINC000444711843 560118696 /nfs/dbraw/zinc/11/86/96/560118696.db2.gz XYPFHDFNAJAITF-SFHVURJKSA-N 1 2 364.440 2.089 20 30 FEEDLO Cc1[nH]c(C#N)cc1C(=O)N[C@H](C[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000448599926 560192243 /nfs/dbraw/zinc/19/22/43/560192243.db2.gz AUZDYNJMYWOKGZ-LJQANCHMSA-N 1 2 352.438 2.307 20 30 FEEDLO C=CCNC(=O)CN1CC[NH+](Cc2cc3ccccc3cc2OC)CC1 ZINC000449008267 560211929 /nfs/dbraw/zinc/21/19/29/560211929.db2.gz IITMVGCGQISYAH-UHFFFAOYSA-N 1 2 353.466 2.268 20 30 FEEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCCN(c2ccccc2Cl)CC1 ZINC000450997186 560281656 /nfs/dbraw/zinc/28/16/56/560281656.db2.gz IHCYSTAXVRBWKT-CQSZACIVSA-N 1 2 364.877 2.252 20 30 FEEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCCN(c2ccccc2Cl)CC1 ZINC000450997186 560281657 /nfs/dbraw/zinc/28/16/57/560281657.db2.gz IHCYSTAXVRBWKT-CQSZACIVSA-N 1 2 364.877 2.252 20 30 FEEDLO N#Cc1ccc(NC(=O)C[N@H+]2CC[C@H]([C@@H](O)C(F)(F)F)C2)cc1Cl ZINC000451880859 560334030 /nfs/dbraw/zinc/33/40/30/560334030.db2.gz AGZXFZRCTQPWQT-IINYFYTJSA-N 1 2 361.751 2.395 20 30 FEEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CC[C@H]([C@@H](O)C(F)(F)F)C2)cc1Cl ZINC000451880859 560334031 /nfs/dbraw/zinc/33/40/31/560334031.db2.gz AGZXFZRCTQPWQT-IINYFYTJSA-N 1 2 361.751 2.395 20 30 FEEDLO N#Cc1ccc(NC(=O)C[N@H+]2CC[C@@H]([C@H](O)C(F)(F)F)C2)cc1Cl ZINC000451880863 560334054 /nfs/dbraw/zinc/33/40/54/560334054.db2.gz AGZXFZRCTQPWQT-YGRLFVJLSA-N 1 2 361.751 2.395 20 30 FEEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H]([C@H](O)C(F)(F)F)C2)cc1Cl ZINC000451880863 560334055 /nfs/dbraw/zinc/33/40/55/560334055.db2.gz AGZXFZRCTQPWQT-YGRLFVJLSA-N 1 2 361.751 2.395 20 30 FEEDLO CC(C)(C)c1cc(C#N)c(NC(=O)C(=O)N[C@H]2CCn3cc[nH+]c3C2)s1 ZINC000453712401 560398802 /nfs/dbraw/zinc/39/88/02/560398802.db2.gz HZNYJBOMHRGOLB-LBPRGKRZSA-N 1 2 371.466 2.183 20 30 FEEDLO CC(C)(C)c1cc(C#N)c(NC(=O)C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)s1 ZINC000453760490 560402218 /nfs/dbraw/zinc/40/22/18/560402218.db2.gz KIWDPKPZSHZUGA-NSHDSACASA-N 1 2 371.466 2.253 20 30 FEEDLO CC(C)(C)c1cc(C#N)c(NC(=O)C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)s1 ZINC000453760490 560402219 /nfs/dbraw/zinc/40/22/19/560402219.db2.gz KIWDPKPZSHZUGA-NSHDSACASA-N 1 2 371.466 2.253 20 30 FEEDLO N#CCc1cccc(NC(=O)NCc2cc[nH+]c(N3CCOCC3)c2)c1 ZINC000455956038 560501877 /nfs/dbraw/zinc/50/18/77/560501877.db2.gz XFZMFOPQHHUGLW-UHFFFAOYSA-N 1 2 351.410 2.306 20 30 FEEDLO C=CCC[C@H](CO)NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000458631031 560637341 /nfs/dbraw/zinc/63/73/41/560637341.db2.gz YTUQEMWZZMXYBA-XYPHTWIQSA-N 1 2 353.413 2.336 20 30 FEEDLO C=CCC[C@H](CO)NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000458631031 560637342 /nfs/dbraw/zinc/63/73/42/560637342.db2.gz YTUQEMWZZMXYBA-XYPHTWIQSA-N 1 2 353.413 2.336 20 30 FEEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@@H]1CCC[C@H]1C#N ZINC000459457845 560687692 /nfs/dbraw/zinc/68/76/92/560687692.db2.gz DUZSJGWESYRULU-DOTOQJQBSA-N 1 2 357.458 2.234 20 30 FEEDLO Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000461307688 560766373 /nfs/dbraw/zinc/76/63/73/560766373.db2.gz NKAFPDCIQSPXOT-UHFFFAOYSA-N 1 2 369.388 2.885 20 30 FEEDLO COc1ccc(OC)c(C[NH+]2CCN(C(=O)N[C@@H]3CCC[C@H]3C#N)CC2)c1 ZINC000461956421 560789731 /nfs/dbraw/zinc/78/97/31/560789731.db2.gz NNMWORRBLLPWRR-MAUKXSAKSA-N 1 2 372.469 2.223 20 30 FEEDLO C[C@@H]1CN(c2ccc(CNC(=O)N[C@@H]3CCC[C@@H]3C#N)c[nH+]2)C[C@@H](C)O1 ZINC000461961853 560789860 /nfs/dbraw/zinc/78/98/60/560789860.db2.gz VYMQHWOADBOLQF-MUIFIZLQSA-N 1 2 357.458 2.187 20 30 FEEDLO COC(=O)C[C@H]1CSCC[N@@H+]1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000471210636 561000513 /nfs/dbraw/zinc/00/05/13/561000513.db2.gz ARFIEOGXYPCTET-ZDUSSCGKSA-N 1 2 367.858 2.131 20 30 FEEDLO COC(=O)C[C@H]1CSCC[N@H+]1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000471210636 561000514 /nfs/dbraw/zinc/00/05/14/561000514.db2.gz ARFIEOGXYPCTET-ZDUSSCGKSA-N 1 2 367.858 2.131 20 30 FEEDLO Cc1nn(C)c(N2CC[NH+](CC#Cc3cccc(Cl)c3)CC2)c1C#N ZINC000472164845 561020042 /nfs/dbraw/zinc/02/00/42/561020042.db2.gz VDXIFOIZGYOKJX-UHFFFAOYSA-N 1 2 353.857 2.427 20 30 FEEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2C[C@H](O)C[C@H]2C)c1C#N ZINC000530519696 562414213 /nfs/dbraw/zinc/41/42/13/562414213.db2.gz QZFMLDPFURIDLY-IUODEOHRSA-N 1 2 356.426 2.012 20 30 FEEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2C[C@H](O)C[C@H]2C)c1C#N ZINC000530519696 562414214 /nfs/dbraw/zinc/41/42/14/562414214.db2.gz QZFMLDPFURIDLY-IUODEOHRSA-N 1 2 356.426 2.012 20 30 FEEDLO N#Cc1cccc(CNC(=O)C[N@@H+]2CCc3c(cnn3-c3ccccc3)C2)c1 ZINC000531214308 562438437 /nfs/dbraw/zinc/43/84/37/562438437.db2.gz LBUCSTUTODGFKM-UHFFFAOYSA-N 1 2 371.444 2.418 20 30 FEEDLO N#Cc1cccc(CNC(=O)C[N@H+]2CCc3c(cnn3-c3ccccc3)C2)c1 ZINC000531214308 562438438 /nfs/dbraw/zinc/43/84/38/562438438.db2.gz LBUCSTUTODGFKM-UHFFFAOYSA-N 1 2 371.444 2.418 20 30 FEEDLO C[N@H+](CCN1CCCC1=O)CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000532975212 562494559 /nfs/dbraw/zinc/49/45/59/562494559.db2.gz KXDYKTJWTDZUMQ-UHFFFAOYSA-N 1 2 374.510 2.381 20 30 FEEDLO C[N@@H+](CCN1CCCC1=O)CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000532975212 562494560 /nfs/dbraw/zinc/49/45/60/562494560.db2.gz KXDYKTJWTDZUMQ-UHFFFAOYSA-N 1 2 374.510 2.381 20 30 FEEDLO C[C@H](O)C[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)Cc1ccccc1 ZINC000533148589 562499784 /nfs/dbraw/zinc/49/97/84/562499784.db2.gz WPCJWDOJOGIYMT-INIZCTEOSA-N 1 2 358.463 2.215 20 30 FEEDLO C[C@H](O)C[N@@H+](CCS(=O)(=O)c1cccc(C#N)c1)Cc1ccccc1 ZINC000533148589 562499785 /nfs/dbraw/zinc/49/97/85/562499785.db2.gz WPCJWDOJOGIYMT-INIZCTEOSA-N 1 2 358.463 2.215 20 30 FEEDLO Cc1c(C#N)cccc1NC(=O)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000533207419 562501604 /nfs/dbraw/zinc/50/16/04/562501604.db2.gz BPYGTTKALRNDQN-GOSISDBHSA-N 1 2 373.416 2.445 20 30 FEEDLO CSc1[nH]c(=O)c(C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)cc1C#N ZINC000534598070 562537861 /nfs/dbraw/zinc/53/78/61/562537861.db2.gz MUKMQPNSZKVHIW-HNNXBMFYSA-N 1 2 354.435 2.297 20 30 FEEDLO CSc1[nH]c(=O)c(C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)cc1C#N ZINC000534598070 562537862 /nfs/dbraw/zinc/53/78/62/562537862.db2.gz MUKMQPNSZKVHIW-HNNXBMFYSA-N 1 2 354.435 2.297 20 30 FEEDLO C[C@@H]1C[NH+](CC(=O)N(C)Cc2c(F)cccc2Cl)C[C@@H](C)N1CC#N ZINC000602854558 568002126 /nfs/dbraw/zinc/00/21/26/568002126.db2.gz BUFROVIKVSHSJB-ZIAGYGMSSA-N 1 2 366.868 2.356 20 30 FEEDLO COc1ccc([C@H](NC(=O)C[NH+]2C[C@H](C)N(CC#N)[C@@H](C)C2)C(C)C)cc1 ZINC000602856696 568002551 /nfs/dbraw/zinc/00/25/51/568002551.db2.gz MCIRJXVJVNAORR-XGHQBKJUSA-N 1 2 372.513 2.427 20 30 FEEDLO COc1ccc(-c2noc(C[N@H+]3C[C@@H](C)N(CC#N)[C@@H](C)C3)n2)c(OC)c1 ZINC000602858823 568003052 /nfs/dbraw/zinc/00/30/52/568003052.db2.gz VNVFLARZKHIQOM-OKILXGFUSA-N 1 2 371.441 2.172 20 30 FEEDLO COc1ccc(-c2noc(C[N@@H+]3C[C@@H](C)N(CC#N)[C@@H](C)C3)n2)c(OC)c1 ZINC000602858823 568003053 /nfs/dbraw/zinc/00/30/53/568003053.db2.gz VNVFLARZKHIQOM-OKILXGFUSA-N 1 2 371.441 2.172 20 30 FEEDLO CC(C)Oc1cccc(CNC(=O)C[N@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)c1 ZINC000602858804 568003066 /nfs/dbraw/zinc/00/30/66/568003066.db2.gz BWXWZWWCEDGLFB-CALCHBBNSA-N 1 2 358.486 2.008 20 30 FEEDLO CC(C)Oc1cccc(CNC(=O)C[N@@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)c1 ZINC000602858804 568003067 /nfs/dbraw/zinc/00/30/67/568003067.db2.gz BWXWZWWCEDGLFB-CALCHBBNSA-N 1 2 358.486 2.008 20 30 FEEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602858478 568003102 /nfs/dbraw/zinc/00/31/02/568003102.db2.gz BJUOMPAVZGQKMF-MELADBBJSA-N 1 2 359.861 2.457 20 30 FEEDLO C[C@H](CC#N)[NH2+]CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000602870438 568009081 /nfs/dbraw/zinc/00/90/81/568009081.db2.gz TXTRIOZNAGQEDP-SNVBAGLBSA-N 1 2 352.320 2.116 20 30 FEEDLO COc1nc(N2CC[NH+](CC3(CC#N)CC3)CC2)ncc1Br ZINC000602783081 568039454 /nfs/dbraw/zinc/03/94/54/568039454.db2.gz YCDPXHWYVUCHFX-UHFFFAOYSA-N 1 2 366.263 2.064 20 30 FEEDLO C[C@@H](Oc1ccccc1C#N)C(=O)NCC1CC[NH+](CC(F)F)CC1 ZINC000568530520 568047113 /nfs/dbraw/zinc/04/71/13/568047113.db2.gz PUDHCJQBFHZMHB-CYBMUJFWSA-N 1 2 351.397 2.419 20 30 FEEDLO CCOC(=O)C1CC[NH+](Cc2cn([C@@H](C#N)c3ccccc3)nn2)CC1 ZINC000603221582 568077303 /nfs/dbraw/zinc/07/73/03/568077303.db2.gz OPETUDUGRGBHAV-SFHVURJKSA-N 1 2 353.426 2.166 20 30 FEEDLO COC(=O)c1cccc(C[N@@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)c1C#N ZINC000569071292 568270541 /nfs/dbraw/zinc/27/05/41/568270541.db2.gz OEAGSBIJOGSLCP-SWLSCSKDSA-N 1 2 356.344 2.480 20 30 FEEDLO COC(=O)c1cccc(C[N@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)c1C#N ZINC000569071292 568270543 /nfs/dbraw/zinc/27/05/43/568270543.db2.gz OEAGSBIJOGSLCP-SWLSCSKDSA-N 1 2 356.344 2.480 20 30 FEEDLO CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000569748099 568429391 /nfs/dbraw/zinc/42/93/91/568429391.db2.gz HXBGCIZWETYCSK-UHFFFAOYSA-N 1 2 374.452 2.262 20 30 FEEDLO N#Cc1ncn(CCNc2cc[nH+]c3c(Br)ccc(F)c23)n1 ZINC000557429296 674448760 /nfs/dbraw/zinc/44/87/60/674448760.db2.gz SOOGSXJXWMTRSQ-UHFFFAOYSA-N 1 2 361.178 2.134 20 30 FEEDLO CC[C@@H](C#N)Oc1cc(C[NH2+]Cc2ccc(-c3nn[nH]n3)o2)ccc1OC ZINC000820843323 599436893 /nfs/dbraw/zinc/43/68/93/599436893.db2.gz WLLZKABAQHRIBU-ZDUSSCGKSA-N 1 2 368.397 2.439 20 30 FEEDLO CC(C)[NH+]1CCN(C2CC[NH+](Cc3cccc(C(=O)[O-])c3C#N)CC2)CC1 ZINC000833498335 604938780 /nfs/dbraw/zinc/93/87/80/604938780.db2.gz FWQHDJJZOJUWDN-UHFFFAOYSA-N 1 2 370.497 2.247 20 30 FEEDLO Cn1c(CC#N)nn(C[N@@H+]2CCCN3c4ccccc4C[C@@H]3C2)c1=S ZINC000811783610 674626965 /nfs/dbraw/zinc/62/69/65/674626965.db2.gz HACMYUAAIQCZSP-OAHLLOKOSA-N 1 2 354.483 2.112 20 30 FEEDLO Cn1c(CC#N)nn(C[N@H+]2CCCN3c4ccccc4C[C@@H]3C2)c1=S ZINC000811783610 674626969 /nfs/dbraw/zinc/62/69/69/674626969.db2.gz HACMYUAAIQCZSP-OAHLLOKOSA-N 1 2 354.483 2.112 20 30 FEEDLO CC[C@@H]1[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CCN1c1nc(Cl)c(C#N)s1 ZINC001048797035 675015302 /nfs/dbraw/zinc/01/53/02/675015302.db2.gz JMWOMXKFKVJRTG-VHSXEESVSA-N 1 2 364.862 2.107 20 30 FEEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN(CCOc2ccccc2Cl)CC1 ZINC000054259670 670333941 /nfs/dbraw/zinc/33/39/41/670333941.db2.gz DQTYUELLPIMATD-HNNXBMFYSA-N 1 2 351.878 2.027 20 30 FEEDLO CC(C)c1cccc(/N=C2\NC(=O)[C@H](CC(=O)NCC[NH+](C)C)S2)c1 ZINC000106898583 670815685 /nfs/dbraw/zinc/81/56/85/670815685.db2.gz UCVTZNCUJLMXQE-HNNXBMFYSA-N 1 2 362.499 2.097 20 30 FEEDLO N#Cc1cc(Br)cnc1N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000576193689 671350102 /nfs/dbraw/zinc/35/01/02/671350102.db2.gz STMRBGKZLRJWAO-OAHLLOKOSA-N 1 2 365.275 2.407 20 30 FEEDLO Cc1cc(C(N)=[NH+]OCc2ccc(S(=O)(=O)N(C)C)s2)ccc1F ZINC000818077947 675194722 /nfs/dbraw/zinc/19/47/22/675194722.db2.gz SNQMODVGAIFKNO-UHFFFAOYSA-N 1 2 371.459 2.283 20 30 FEEDLO C[N@H+](CCN1CCCC1=O)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000609578744 675927224 /nfs/dbraw/zinc/92/72/24/675927224.db2.gz FJSWDVILCIMDDC-UHFFFAOYSA-N 1 2 362.861 2.141 20 30 FEEDLO C[N@@H+](CCN1CCCC1=O)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000609578744 675927225 /nfs/dbraw/zinc/92/72/25/675927225.db2.gz FJSWDVILCIMDDC-UHFFFAOYSA-N 1 2 362.861 2.141 20 30 FEEDLO C[NH+](C)[C@H]1CCOc2c(NS(=O)(=O)c3cncc(C#N)c3)cccc21 ZINC000580139724 671785080 /nfs/dbraw/zinc/78/50/80/671785080.db2.gz KMVGPEWIRBZVGC-INIZCTEOSA-N 1 2 358.423 2.139 20 30 FEEDLO CC[N@@H+]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)C[C@H]1C ZINC000611083691 676016051 /nfs/dbraw/zinc/01/60/51/676016051.db2.gz VQLHISVVBFENGH-LLVKDONJSA-N 1 2 361.389 2.292 20 30 FEEDLO CC[N@H+]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)C[C@H]1C ZINC000611083691 676016053 /nfs/dbraw/zinc/01/60/53/676016053.db2.gz VQLHISVVBFENGH-LLVKDONJSA-N 1 2 361.389 2.292 20 30 FEEDLO Cn1cc[nH+]c1C[C@H](NS(=O)(=O)CC1(CC#N)CC1)c1ccccc1 ZINC000590748417 672609119 /nfs/dbraw/zinc/60/91/19/672609119.db2.gz PYHHHEUBDOLNKN-INIZCTEOSA-N 1 2 358.467 2.317 20 30 FEEDLO CCOC[C@H](C(=O)OC)[N@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000591019887 672641853 /nfs/dbraw/zinc/64/18/53/672641853.db2.gz MTTGPTKTAVZLCM-OAHLLOKOSA-N 1 2 367.833 2.050 20 30 FEEDLO CCOC[C@H](C(=O)OC)[N@@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000591019887 672641858 /nfs/dbraw/zinc/64/18/58/672641858.db2.gz MTTGPTKTAVZLCM-OAHLLOKOSA-N 1 2 367.833 2.050 20 30 FEEDLO COc1cc(C[N@@H+]2CC[C@](O)(CC#N)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000592146301 672764170 /nfs/dbraw/zinc/76/41/70/672764170.db2.gz GZFWXUZROVJUJF-OAHLLOKOSA-N 1 2 357.313 2.055 20 30 FEEDLO COc1cc(C[N@H+]2CC[C@](O)(CC#N)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000592146301 672764173 /nfs/dbraw/zinc/76/41/73/672764173.db2.gz GZFWXUZROVJUJF-OAHLLOKOSA-N 1 2 357.313 2.055 20 30 FEEDLO N#CC[C@]1(O)CC[N@@H+]([C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)C1 ZINC000592152424 672764735 /nfs/dbraw/zinc/76/47/35/672764735.db2.gz XNPRCQXGIYVRQT-HOCLYGCPSA-N 1 2 353.344 2.161 20 30 FEEDLO N#CC[C@]1(O)CC[N@H+]([C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)C1 ZINC000592152424 672764738 /nfs/dbraw/zinc/76/47/38/672764738.db2.gz XNPRCQXGIYVRQT-HOCLYGCPSA-N 1 2 353.344 2.161 20 30 FEEDLO CNS(=O)(=O)c1cccc(C(=O)/C=C\c2c[nH+]c3c(C)cccn23)c1 ZINC000254916625 672880814 /nfs/dbraw/zinc/88/08/14/672880814.db2.gz STABTGBFLCUYNA-HJWRWDBZSA-N 1 2 355.419 2.447 20 30 FEEDLO N#Cc1cc(Br)ccc1CC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000593619027 672959522 /nfs/dbraw/zinc/95/95/22/672959522.db2.gz ZZCVHMNPSBXCLG-CQSZACIVSA-N 1 2 359.227 2.191 20 30 FEEDLO C[C@H](NC(=O)C1CCCC1)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000328839230 673067651 /nfs/dbraw/zinc/06/76/51/673067651.db2.gz YPCXFNDBQAUIDV-RDJZCZTQSA-N 1 2 351.491 2.235 20 30 FEEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)CCC(=O)N1CCc2sccc2C1 ZINC000329100534 673071933 /nfs/dbraw/zinc/07/19/33/673071933.db2.gz MOMJWOFJNLBTME-CQSZACIVSA-N 1 2 365.499 2.090 20 30 FEEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)CCC(=O)N1CCc2sccc2C1 ZINC000329100534 673071940 /nfs/dbraw/zinc/07/19/40/673071940.db2.gz MOMJWOFJNLBTME-CQSZACIVSA-N 1 2 365.499 2.090 20 30 FEEDLO N#Cc1cc(F)c(N2CC[NH+]([C@H]3CCOC3)CC2)cc1Br ZINC000594565887 673098051 /nfs/dbraw/zinc/09/80/51/673098051.db2.gz QQHGHRRDTDJAIJ-LBPRGKRZSA-N 1 2 354.223 2.371 20 30 FEEDLO S=C(NCCc1ccccn1)NN=Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000726425235 673121597 /nfs/dbraw/zinc/12/15/97/673121597.db2.gz FZKBBFZYWDUTPO-UHFFFAOYSA-N 1 2 350.451 2.308 20 30 FEEDLO C[N@H+](CCC#N)C[C@@H](O)CN1CC(Oc2cccc(Cl)c2Cl)C1 ZINC000594716696 673121727 /nfs/dbraw/zinc/12/17/27/673121727.db2.gz SWECKSMAEYOTEU-GFCCVEGCSA-N 1 2 358.269 2.263 20 30 FEEDLO C[N@@H+](CCC#N)C[C@@H](O)CN1CC(Oc2cccc(Cl)c2Cl)C1 ZINC000594716696 673121732 /nfs/dbraw/zinc/12/17/32/673121732.db2.gz SWECKSMAEYOTEU-GFCCVEGCSA-N 1 2 358.269 2.263 20 30 FEEDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NC2CCN(CC#N)CC2)CC1 ZINC000613212715 676117574 /nfs/dbraw/zinc/11/75/74/676117574.db2.gz BODFHRMYJIAUOK-HNNXBMFYSA-N 1 2 361.515 2.124 20 30 FEEDLO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CCC(=O)N(C)CC2)ccc1Cl ZINC000595786659 673325227 /nfs/dbraw/zinc/32/52/27/673325227.db2.gz VLOKBJXYLUPRGA-UHFFFAOYSA-N 1 2 362.861 2.059 20 30 FEEDLO Cc1cc(N(CCC#N)C(=O)C[N@H+]2CCC(=O)N(C)CC2)ccc1Cl ZINC000595786659 673325232 /nfs/dbraw/zinc/32/52/32/673325232.db2.gz VLOKBJXYLUPRGA-UHFFFAOYSA-N 1 2 362.861 2.059 20 30 FEEDLO N#Cc1ccc(CSCC(=O)N2CCC[C@H]([NH+]3CCOCC3)C2)cc1 ZINC000597710059 673501491 /nfs/dbraw/zinc/50/14/91/673501491.db2.gz PTHQSASMRHQZOQ-SFHVURJKSA-N 1 2 359.495 2.115 20 30 FEEDLO N#Cc1ccc(Cl)c(S(=O)(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000613919893 676153376 /nfs/dbraw/zinc/15/33/76/676153376.db2.gz RFPZDZCHKSGJMQ-CYBMUJFWSA-N 1 2 350.831 2.434 20 30 FEEDLO C[C@@H]1C[N@@H+](CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)C[C@H](C)S1 ZINC000743375652 673757375 /nfs/dbraw/zinc/75/73/75/673757375.db2.gz IJPRMCIPLHANSR-FHSNZYRGSA-N 1 2 358.467 2.109 20 30 FEEDLO C[C@@H]1C[N@H+](CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)C[C@H](C)S1 ZINC000743375652 673757376 /nfs/dbraw/zinc/75/73/76/673757376.db2.gz IJPRMCIPLHANSR-FHSNZYRGSA-N 1 2 358.467 2.109 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC000545933490 673783728 /nfs/dbraw/zinc/78/37/28/673783728.db2.gz WAGLUSSHRBGNRS-UHOFOFEASA-N 1 2 363.424 2.455 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[NH+]2CCC3(CCSCC3)CC2)nc1 ZINC000602951479 673914229 /nfs/dbraw/zinc/91/42/29/673914229.db2.gz PPTOGYINFFXYIM-UHFFFAOYSA-N 1 2 365.524 2.336 20 30 FEEDLO C[N@@H+]1CCc2c(cccc2S(=O)(=O)N2Cc3cccc(C#N)c3C2)C1 ZINC000603372236 673927191 /nfs/dbraw/zinc/92/71/91/673927191.db2.gz RTZIGFQPJQQUPY-UHFFFAOYSA-N 1 2 353.447 2.251 20 30 FEEDLO C[N@H+]1CCc2c(cccc2S(=O)(=O)N2Cc3cccc(C#N)c3C2)C1 ZINC000603372236 673927192 /nfs/dbraw/zinc/92/71/92/673927192.db2.gz RTZIGFQPJQQUPY-UHFFFAOYSA-N 1 2 353.447 2.251 20 30 FEEDLO C=CCCCC[NH+]1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000567190228 675274223 /nfs/dbraw/zinc/27/42/23/675274223.db2.gz QWOCDHNUWQLYMC-UHFFFAOYSA-N 1 2 367.471 2.477 20 30 FEEDLO C=CCc1ccccc1OC[C@@H](O)C[NH2+]Cc1n[nH]cc1Br ZINC000567678820 675311687 /nfs/dbraw/zinc/31/16/87/675311687.db2.gz AQFIBWMABQQYSZ-ZDUSSCGKSA-N 1 2 366.259 2.430 20 30 FEEDLO COc1cccc(C[NH+]2CCN(C(=O)C3(C#N)CCSCC3)CC2)c1 ZINC000827943701 675788157 /nfs/dbraw/zinc/78/81/57/675788157.db2.gz MGJYLQJEMHYSNK-UHFFFAOYSA-N 1 2 359.495 2.376 20 30 FEEDLO COc1ccccc1[C@@H](CNS(=O)(=O)c1ccccc1C#N)[NH+](C)C ZINC000603777618 675801465 /nfs/dbraw/zinc/80/14/65/675801465.db2.gz LDGRINPJHUWMDK-MRXNPFEDSA-N 1 2 359.451 2.148 20 30 FEEDLO CC#CC[NH2+]Cc1cn([C@@H](C)C(=O)N2CCSc3ccccc32)nn1 ZINC000640923526 677191819 /nfs/dbraw/zinc/19/18/19/677191819.db2.gz JZZALXXOHUEIQD-AWEZNQCLSA-N 1 2 355.467 2.091 20 30 FEEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)nn1 ZINC000641109710 677194537 /nfs/dbraw/zinc/19/45/37/677194537.db2.gz JIWZQNSQFJLTSR-MRXNPFEDSA-N 1 2 361.808 2.162 20 30 FEEDLO C=CCNS(=O)(=O)c1ccccc1N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000641460603 677206833 /nfs/dbraw/zinc/20/68/33/677206833.db2.gz VAQKXCUXBSUVRR-OAHLLOKOSA-N 1 2 358.467 2.237 20 30 FEEDLO C[C@H]1CC(N=Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)C[N@@H+]1C ZINC000761816242 680732223 /nfs/dbraw/zinc/73/22/23/680732223.db2.gz DZMQPMGWELAMAR-NSHDSACASA-N 1 2 365.484 2.436 20 30 FEEDLO C[C@H]1CC(N=Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)C[N@H+]1C ZINC000761816242 680732224 /nfs/dbraw/zinc/73/22/24/680732224.db2.gz DZMQPMGWELAMAR-NSHDSACASA-N 1 2 365.484 2.436 20 30 FEEDLO C=CCCn1cc(C[NH2+]Cc2ccc(S(C)(=O)=O)c(Cl)c2)nn1 ZINC000657447313 678000626 /nfs/dbraw/zinc/00/06/26/678000626.db2.gz PILGAILXTNPFCH-UHFFFAOYSA-N 1 2 354.863 2.201 20 30 FEEDLO C=CC[N@H+](CC(=O)Nc1cc(Cl)ccc1-n1cncn1)[C@@H](C)COC ZINC000661241686 678456965 /nfs/dbraw/zinc/45/69/65/678456965.db2.gz AJESYUOJEMGSNA-ZDUSSCGKSA-N 1 2 363.849 2.382 20 30 FEEDLO C=CC[N@@H+](CC(=O)Nc1cc(Cl)ccc1-n1cncn1)[C@@H](C)COC ZINC000661241686 678456967 /nfs/dbraw/zinc/45/69/67/678456967.db2.gz AJESYUOJEMGSNA-ZDUSSCGKSA-N 1 2 363.849 2.382 20 30 FEEDLO CN(C)c1ccc(-n2ccnc2SC[C@@H](O)C[N@H+](C)CCC#N)cc1 ZINC000840757104 680841156 /nfs/dbraw/zinc/84/11/56/680841156.db2.gz KPXZIZJNVAVTBL-KRWDZBQOSA-N 1 2 359.499 2.237 20 30 FEEDLO CN(C)c1ccc(-n2ccnc2SC[C@@H](O)C[N@@H+](C)CCC#N)cc1 ZINC000840757104 680841158 /nfs/dbraw/zinc/84/11/58/680841158.db2.gz KPXZIZJNVAVTBL-KRWDZBQOSA-N 1 2 359.499 2.237 20 30 FEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](Cc2nnc(C)s2)C1 ZINC001028855687 680385344 /nfs/dbraw/zinc/38/53/44/680385344.db2.gz KFCVLNUGFDKMJL-VYDXJSESSA-N 1 2 364.515 2.156 20 30 FEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2nnc(C)s2)C1 ZINC001028855687 680385346 /nfs/dbraw/zinc/38/53/46/680385346.db2.gz KFCVLNUGFDKMJL-VYDXJSESSA-N 1 2 364.515 2.156 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2csnc2OC)C1 ZINC001033086876 680416068 /nfs/dbraw/zinc/41/60/68/680416068.db2.gz MMGGOCMVZBSYJL-OAGGEKHMSA-N 1 2 365.499 2.166 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2csnc2OC)C1 ZINC001033086876 680416073 /nfs/dbraw/zinc/41/60/73/680416073.db2.gz MMGGOCMVZBSYJL-OAGGEKHMSA-N 1 2 365.499 2.166 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cc(OC)ns2)C1 ZINC001033498199 680424597 /nfs/dbraw/zinc/42/45/97/680424597.db2.gz UXPGRWJJLGGDDI-KMFMINBZSA-N 1 2 365.499 2.166 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2cc(OC)ns2)C1 ZINC001033498199 680424598 /nfs/dbraw/zinc/42/45/98/680424598.db2.gz UXPGRWJJLGGDDI-KMFMINBZSA-N 1 2 365.499 2.166 20 30 FEEDLO C=C(Br)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001033963433 680429456 /nfs/dbraw/zinc/42/94/56/680429456.db2.gz KQRCTZAKUQJJHO-TUVASFSCSA-N 1 2 357.292 2.385 20 30 FEEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001033963433 680429460 /nfs/dbraw/zinc/42/94/60/680429460.db2.gz KQRCTZAKUQJJHO-TUVASFSCSA-N 1 2 357.292 2.385 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2cc(C)sc2C)CCO1 ZINC001035515411 680449257 /nfs/dbraw/zinc/44/92/57/680449257.db2.gz QRGZODOVRYIEQE-KURKYZTESA-N 1 2 364.511 2.273 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2cc(C)sc2C)CCO1 ZINC001035515411 680449260 /nfs/dbraw/zinc/44/92/60/680449260.db2.gz QRGZODOVRYIEQE-KURKYZTESA-N 1 2 364.511 2.273 20 30 FEEDLO N#Cc1ccc(C[N@H+]2CC[C@H]2CNC(=O)[C@@H]2C[C@H]2C2CCOCC2)s1 ZINC001038509404 680458028 /nfs/dbraw/zinc/45/80/28/680458028.db2.gz YFFNTBVSHNUGRL-JCGIZDLHSA-N 1 2 359.495 2.373 20 30 FEEDLO N#Cc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)[C@@H]2C[C@H]2C2CCOCC2)s1 ZINC001038509404 680458032 /nfs/dbraw/zinc/45/80/32/680458032.db2.gz YFFNTBVSHNUGRL-JCGIZDLHSA-N 1 2 359.495 2.373 20 30 FEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)C1CC[NH+](Cc2cnns2)CC1 ZINC001006107878 680593788 /nfs/dbraw/zinc/59/37/88/680593788.db2.gz HCLQXGZEFUWNRZ-IRXDYDNUSA-N 1 2 364.515 2.332 20 30 FEEDLO N#Cc1c(Cl)nsc1N[C@@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001045512152 680632711 /nfs/dbraw/zinc/63/27/11/680632711.db2.gz PHXWWOXAXCVRJZ-VXGBXAGGSA-N 1 2 364.862 2.404 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2Cc1cnns1 ZINC001049488621 681033543 /nfs/dbraw/zinc/03/35/43/681033543.db2.gz YWCYOEUMWBLDEP-TWMKSMIVSA-N 1 2 362.499 2.085 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2Cc1cnns1 ZINC001049488621 681033544 /nfs/dbraw/zinc/03/35/44/681033544.db2.gz YWCYOEUMWBLDEP-TWMKSMIVSA-N 1 2 362.499 2.085 20 30 FEEDLO C[N@H+](CCCS(=O)(=O)c1ccccc1)C[C@H](O)c1cccc(C#N)c1 ZINC000844370725 681054581 /nfs/dbraw/zinc/05/45/81/681054581.db2.gz SWCJBDPIWPGOAM-IBGZPJMESA-N 1 2 358.463 2.387 20 30 FEEDLO C[N@@H+](CCCS(=O)(=O)c1ccccc1)C[C@H](O)c1cccc(C#N)c1 ZINC000844370725 681054583 /nfs/dbraw/zinc/05/45/83/681054583.db2.gz SWCJBDPIWPGOAM-IBGZPJMESA-N 1 2 358.463 2.387 20 30 FEEDLO Cc1nsc(NC[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@H]2C)c1C#N ZINC001054518997 681112435 /nfs/dbraw/zinc/11/24/35/681112435.db2.gz IJSBOBROEKFIQW-TZMCWYRMSA-N 1 2 358.471 2.116 20 30 FEEDLO CC(N=Nc1ccccc1S(N)(=O)=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000773094512 681125302 /nfs/dbraw/zinc/12/53/02/681125302.db2.gz KMZLDGFLJSOXMY-UHFFFAOYSA-N 1 2 355.423 2.356 20 30 FEEDLO Cn1ccc([C@H]2CCC[N@@H+]([C@H]3CCN(c4sccc4C#N)C3=O)C2)n1 ZINC000932133478 681182910 /nfs/dbraw/zinc/18/29/10/681182910.db2.gz QXGBBYHOTQKIFI-HOCLYGCPSA-N 1 2 355.467 2.338 20 30 FEEDLO Cn1ccc([C@H]2CCC[N@H+]([C@H]3CCN(c4sccc4C#N)C3=O)C2)n1 ZINC000932133478 681182911 /nfs/dbraw/zinc/18/29/11/681182911.db2.gz QXGBBYHOTQKIFI-HOCLYGCPSA-N 1 2 355.467 2.338 20 30 FEEDLO N#CC[C@H](NC(=O)NCc1cc[nH+]c(N2CCSCC2)c1)C(F)(F)F ZINC000932894694 681323969 /nfs/dbraw/zinc/32/39/69/681323969.db2.gz IKEDEKAFYFVQEH-LBPRGKRZSA-N 1 2 373.404 2.279 20 30 FEEDLO COc1cc(C=NNCCCn2cc[nH+]c2)cc(Br)c1O ZINC000848419352 681537201 /nfs/dbraw/zinc/53/72/01/681537201.db2.gz UWEHDGVRQWTCNM-UHFFFAOYSA-N 1 2 353.220 2.374 20 30 FEEDLO C[NH+]1CCN(c2ccc(Nc3ccnc(C#N)n3)cc2Br)CC1 ZINC000848689149 681602145 /nfs/dbraw/zinc/60/21/45/681602145.db2.gz SJRGCDYCLNPMDQ-UHFFFAOYSA-N 1 2 373.258 2.028 20 30 FEEDLO Cc1cccn2cc(CCNS(=O)(=O)Cc3csc(C#N)c3)[nH+]c12 ZINC000914214499 685499306 /nfs/dbraw/zinc/49/93/06/685499306.db2.gz JTQPLCAKCHEDGM-UHFFFAOYSA-N 1 2 360.464 2.238 20 30 FEEDLO COC(=O)N(C)CC[N@H+](C)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000852569858 682301276 /nfs/dbraw/zinc/30/12/76/682301276.db2.gz KTUJBVYCNZHUAM-LLVKDONJSA-N 1 2 364.471 2.065 20 30 FEEDLO COC(=O)N(C)CC[N@@H+](C)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000852569858 682301281 /nfs/dbraw/zinc/30/12/81/682301281.db2.gz KTUJBVYCNZHUAM-LLVKDONJSA-N 1 2 364.471 2.065 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccccc2)cc1 ZINC000919330325 685546300 /nfs/dbraw/zinc/54/63/00/685546300.db2.gz GWGVXVLCOBXTJZ-ROUUACIJSA-N 1 2 353.447 2.206 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccccc2)cc1 ZINC000919330325 685546301 /nfs/dbraw/zinc/54/63/01/685546301.db2.gz GWGVXVLCOBXTJZ-ROUUACIJSA-N 1 2 353.447 2.206 20 30 FEEDLO C#CCCCOc1ccc[nH+]c1NCCNS(=O)(=O)c1ccccc1 ZINC000853136364 682381546 /nfs/dbraw/zinc/38/15/46/682381546.db2.gz DCRCSNFSGUPBCK-UHFFFAOYSA-N 1 2 359.451 2.264 20 30 FEEDLO C[C@@H]1C[N@H+](CCNC(=O)C#Cc2ccc(C(F)(F)F)cc2)[C@@H](C)CO1 ZINC000855408599 682666822 /nfs/dbraw/zinc/66/68/22/682666822.db2.gz WJNBVJXEDRQCQG-UONOGXRCSA-N 1 2 354.372 2.282 20 30 FEEDLO C[C@@H]1C[N@@H+](CCNC(=O)C#Cc2ccc(C(F)(F)F)cc2)[C@@H](C)CO1 ZINC000855408599 682666823 /nfs/dbraw/zinc/66/68/23/682666823.db2.gz WJNBVJXEDRQCQG-UONOGXRCSA-N 1 2 354.372 2.282 20 30 FEEDLO C#C[C@@H](NC(=O)CSCc1cn2cc(C)ccc2[nH+]1)C1CCOCC1 ZINC000856116561 682743232 /nfs/dbraw/zinc/74/32/32/682743232.db2.gz ZZNFPXYCNOEDQA-QGZVFWFLSA-N 1 2 357.479 2.421 20 30 FEEDLO Cc1nn(-c2ccccn2)c(Cl)c1C=NNC1=[NH+][C@@H]2CCCC[C@H]2N1 ZINC000794923561 683003713 /nfs/dbraw/zinc/00/37/13/683003713.db2.gz PNJLNFIOSVNAEC-ZIAGYGMSSA-N 1 2 357.849 2.423 20 30 FEEDLO C[NH+](C)Cc1csc(CNC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)n1 ZINC000927766052 683307976 /nfs/dbraw/zinc/30/79/76/683307976.db2.gz ZMXLQEQLLTVMKY-HNNXBMFYSA-N 1 2 353.451 2.075 20 30 FEEDLO C=CCSc1nc2ccccc2n1C[N@H+]1CC[C@H](S(C)(=O)=O)C1 ZINC000799947224 683513150 /nfs/dbraw/zinc/51/31/50/683513150.db2.gz CLIDYLMMCJVXQG-ZDUSSCGKSA-N 1 2 351.497 2.391 20 30 FEEDLO C=CCSc1nc2ccccc2n1C[N@@H+]1CC[C@H](S(C)(=O)=O)C1 ZINC000799947224 683513154 /nfs/dbraw/zinc/51/31/54/683513154.db2.gz CLIDYLMMCJVXQG-ZDUSSCGKSA-N 1 2 351.497 2.391 20 30 FEEDLO N#CC1(C(=O)N2CC[NH+](CCOc3ccccc3)CC2)CCSCC1 ZINC000929377718 683587851 /nfs/dbraw/zinc/58/78/51/683587851.db2.gz TZWXMLVONKZHGH-UHFFFAOYSA-N 1 2 359.495 2.247 20 30 FEEDLO CN(C)c1ccc(C=[NH+]N[C@@H]2CCCS(=O)(=O)C2)c(C(F)(F)F)c1 ZINC000863134546 683680592 /nfs/dbraw/zinc/68/05/92/683680592.db2.gz OQTWGMMJYXUYMT-GFCCVEGCSA-N 1 2 363.405 2.272 20 30 FEEDLO C#CC1(O)CC[NH+]([C@H](C)C(=O)Nc2sc(C)cc2C(=O)OCC)CC1 ZINC000931143687 683841323 /nfs/dbraw/zinc/84/13/23/683841323.db2.gz KQQKVFBGYPAZNX-CYBMUJFWSA-N 1 2 364.467 2.020 20 30 FEEDLO C[NH+]1CCN(C2CCN(c3cc(C(F)(F)F)cnc3C#N)CC2)CC1 ZINC000866212782 684083388 /nfs/dbraw/zinc/08/33/88/684083388.db2.gz VRLRHBNTGXMBFI-UHFFFAOYSA-N 1 2 353.392 2.188 20 30 FEEDLO C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCc1c[nH+]cn1C ZINC000867331725 684249908 /nfs/dbraw/zinc/24/99/08/684249908.db2.gz HOTNTNVPIFVADZ-CYBMUJFWSA-N 1 2 356.854 2.115 20 30 FEEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(F)(F)c2ncccc2Br)C1 ZINC000923595911 684311415 /nfs/dbraw/zinc/31/14/15/684311415.db2.gz CCTQCUDJYQUNGA-NSHDSACASA-N 1 2 372.213 2.150 20 30 FEEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(F)(F)c2ncccc2Br)C1 ZINC000923595911 684311417 /nfs/dbraw/zinc/31/14/17/684311417.db2.gz CCTQCUDJYQUNGA-NSHDSACASA-N 1 2 372.213 2.150 20 30 FEEDLO COC1(OC)CCOC[C@@H]1[NH2+]Cc1cc(C#N)ccc1Br ZINC000931673770 684326590 /nfs/dbraw/zinc/32/65/90/684326590.db2.gz BDNZSYNCQFSHFZ-AWEZNQCLSA-N 1 2 355.232 2.188 20 30 FEEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1C[C@@H]2COC[C@]2(c2ccccc2)C1 ZINC000931905667 684367481 /nfs/dbraw/zinc/36/74/81/684367481.db2.gz NCDRGTIADNSLKE-APWZRJJASA-N 1 2 353.447 2.458 20 30 FEEDLO N#Cc1ccsc1NC(=O)C[N@H+]1C[C@@H]2COC[C@]2(c2ccccc2)C1 ZINC000931905667 684367490 /nfs/dbraw/zinc/36/74/90/684367490.db2.gz NCDRGTIADNSLKE-APWZRJJASA-N 1 2 353.447 2.458 20 30 FEEDLO C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000868968040 684564931 /nfs/dbraw/zinc/56/49/31/684564931.db2.gz ZUUUQFRPIYJTDH-YGRLFVJLSA-N 1 2 352.316 2.403 20 30 FEEDLO NC(=NOCc1scnc1Cl)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000871729502 684849949 /nfs/dbraw/zinc/84/99/49/684849949.db2.gz QWIKOTLPPBEPMR-UHFFFAOYSA-N 1 2 366.874 2.466 20 30 FEEDLO N#Cc1nc(NC(=O)N[C@@H]2CCn3cc[nH+]c3C2)ccc1Br ZINC000883104043 687566098 /nfs/dbraw/zinc/56/60/98/687566098.db2.gz NFFOALNXNDSGFB-SECBINFHSA-N 1 2 361.203 2.049 20 30 FEEDLO C=C(C)C[C@H](CO)NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000883570040 687670588 /nfs/dbraw/zinc/67/05/88/687670588.db2.gz REZISDVKYQHVQF-KBRIMQKVSA-N 1 2 353.413 2.336 20 30 FEEDLO C=C(C)C[C@H](CO)NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000883570040 687670590 /nfs/dbraw/zinc/67/05/90/687670590.db2.gz REZISDVKYQHVQF-KBRIMQKVSA-N 1 2 353.413 2.336 20 30 FEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1cc(Br)ccc1OCC ZINC000884099211 687788972 /nfs/dbraw/zinc/78/89/72/687788972.db2.gz HTHZDBRJWXPPFQ-NSHDSACASA-N 1 2 371.231 2.233 20 30 FEEDLO C[N@@H+]1CCc2c(cccc2S(=O)(=O)N(CCC#N)CC(F)(F)F)C1 ZINC000886402790 688245255 /nfs/dbraw/zinc/24/52/55/688245255.db2.gz ZZXNPJMOXWLMHN-UHFFFAOYSA-N 1 2 361.389 2.141 20 30 FEEDLO C[N@H+]1CCc2c(cccc2S(=O)(=O)N(CCC#N)CC(F)(F)F)C1 ZINC000886402790 688245259 /nfs/dbraw/zinc/24/52/59/688245259.db2.gz ZZXNPJMOXWLMHN-UHFFFAOYSA-N 1 2 361.389 2.141 20 30 FEEDLO C/C(=C/C(=O)NCCSCc1ccccc1C#N)C[NH+]1CCOCC1 ZINC000899982435 690458330 /nfs/dbraw/zinc/45/83/30/690458330.db2.gz KLRSYIUABKZYJM-VBKFSLOCSA-N 1 2 359.495 2.186 20 30 FEEDLO C[N@H+]1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000903206195 690866319 /nfs/dbraw/zinc/86/63/19/690866319.db2.gz FGZRRSGOEBTGFW-TXEJJXNPSA-N 1 2 359.373 2.044 20 30 FEEDLO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000903206195 690866322 /nfs/dbraw/zinc/86/63/22/690866322.db2.gz FGZRRSGOEBTGFW-TXEJJXNPSA-N 1 2 359.373 2.044 20 30 FEEDLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1ccc(Cl)c(C#N)n1)C2 ZINC001165007537 721696858 /nfs/dbraw/zinc/69/68/58/721696858.db2.gz DWRJYLDKOZRPLA-UHFFFAOYSA-N 1 2 359.865 2.449 20 30 FEEDLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1ccc(Cl)c(C#N)n1)C2 ZINC001165007537 721696864 /nfs/dbraw/zinc/69/68/64/721696864.db2.gz DWRJYLDKOZRPLA-UHFFFAOYSA-N 1 2 359.865 2.449 20 30 FEEDLO Cn1cc[nH+]c1[C@@H](NS(=O)(=O)c1ccccc1C#N)c1ccccc1F ZINC000017522140 539642383 /nfs/dbraw/zinc/64/23/83/539642383.db2.gz KIWKRCKFFYMHEL-KRWDZBQOSA-N 1 2 370.409 2.499 20 30 FEEDLO Cn1cc[nH+]c1[C@H](NS(=O)(=O)c1ccccc1C#N)c1ccccc1F ZINC000017522141 539642419 /nfs/dbraw/zinc/64/24/19/539642419.db2.gz KIWKRCKFFYMHEL-QGZVFWFLSA-N 1 2 370.409 2.499 20 30 FEEDLO Cn1cc[nH+]c1[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)c1ccccc1 ZINC000017521603 539642470 /nfs/dbraw/zinc/64/24/70/539642470.db2.gz LWKNQKCOFOLDRA-KRWDZBQOSA-N 1 2 352.419 2.360 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(CC(=O)Nc3ccc(Cl)cn3)CC2)cc1 ZINC000023295820 539711094 /nfs/dbraw/zinc/71/10/94/539711094.db2.gz YKMLBQPIDIZKPW-UHFFFAOYSA-N 1 2 369.856 2.363 20 30 FEEDLO COC(=O)C1CC[NH+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000025558191 539763106 /nfs/dbraw/zinc/76/31/06/539763106.db2.gz XPSIJHUXLSVXGY-LLVKDONJSA-N 1 2 361.467 2.320 20 30 FEEDLO N#Cc1ccnc(N2CC[NH+](CC(=O)N3CCC[C@@H]4CCCC[C@@H]43)CC2)c1 ZINC000025940806 539772659 /nfs/dbraw/zinc/77/26/59/539772659.db2.gz XURCMBVBDGISKP-OALUTQOASA-N 1 2 367.497 2.256 20 30 FEEDLO CCOc1ccc(C[NH+]2CCN(CC(=O)N[C@@](C)(C#N)C(C)C)CC2)cc1 ZINC000027568173 539810091 /nfs/dbraw/zinc/81/00/91/539810091.db2.gz DNWKXVFUFCZJMZ-NRFANRHFSA-N 1 2 372.513 2.257 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000029857422 539866896 /nfs/dbraw/zinc/86/68/96/539866896.db2.gz DYTHAGWFMWMUTP-YWZLYKJASA-N 1 2 371.460 2.262 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000029857424 539866928 /nfs/dbraw/zinc/86/69/28/539866928.db2.gz DYTHAGWFMWMUTP-MGPUTAFESA-N 1 2 371.460 2.262 20 30 FEEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)[C@H]2CCN(c3ccccc3)[C@H]2C)c1C#N ZINC000530405784 539963009 /nfs/dbraw/zinc/96/30/09/539963009.db2.gz VRPGBSLJQGDPGS-HOCLYGCPSA-N 1 2 366.469 2.287 20 30 FEEDLO C[C@@H](Oc1ccccc1C#N)C(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000045888829 540233160 /nfs/dbraw/zinc/23/31/60/540233160.db2.gz SDTQRNMSQZZORM-MRXNPFEDSA-N 1 2 350.422 2.065 20 30 FEEDLO N#Cc1ccc(CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000046048117 540239169 /nfs/dbraw/zinc/23/91/69/540239169.db2.gz HUYQQSKUVDTCEC-UHFFFAOYSA-N 1 2 359.433 2.457 20 30 FEEDLO COc1cc(C#N)ccc1OCC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000047123606 540291187 /nfs/dbraw/zinc/29/11/87/540291187.db2.gz FCQKVUVKVJOQJJ-UHFFFAOYSA-N 1 2 366.421 2.126 20 30 FEEDLO Cc1[nH]nc2ncc(C(=O)N3CC[NH+](Cc4ccc(C#N)cc4)CC3)cc12 ZINC000047403310 540307883 /nfs/dbraw/zinc/30/78/83/540307883.db2.gz UWJNRTFJEKBIDE-UHFFFAOYSA-N 1 2 360.421 2.096 20 30 FEEDLO N#Cc1ccc(NC(=O)C(=O)NCc2cn3ccccc3[nH+]2)cc1Cl ZINC000048940302 540377495 /nfs/dbraw/zinc/37/74/95/540377495.db2.gz WEZPTLBZOASICT-UHFFFAOYSA-N 1 2 353.769 2.114 20 30 FEEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)c2cnc(-c3cccnc3)s2)c1C#N ZINC000534933888 540428758 /nfs/dbraw/zinc/42/87/58/540428758.db2.gz CYXTXRBJGQYMGD-UHFFFAOYSA-N 1 2 367.438 2.204 20 30 FEEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@H](C(=O)Nc2ccccn2)C1 ZINC000054182467 540574135 /nfs/dbraw/zinc/57/41/35/540574135.db2.gz YVPRZDIAZOOZJX-AWEZNQCLSA-N 1 2 369.450 2.304 20 30 FEEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@H](C(=O)Nc2ccccn2)C1 ZINC000054182467 540574138 /nfs/dbraw/zinc/57/41/38/540574138.db2.gz YVPRZDIAZOOZJX-AWEZNQCLSA-N 1 2 369.450 2.304 20 30 FEEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@@H](C(=O)Nc2ccccn2)C1 ZINC000054182466 540573207 /nfs/dbraw/zinc/57/32/07/540573207.db2.gz YVPRZDIAZOOZJX-CQSZACIVSA-N 1 2 369.450 2.304 20 30 FEEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@@H](C(=O)Nc2ccccn2)C1 ZINC000054182466 540573211 /nfs/dbraw/zinc/57/32/11/540573211.db2.gz YVPRZDIAZOOZJX-CQSZACIVSA-N 1 2 369.450 2.304 20 30 FEEDLO CN(C)c1ccc(CNS(=O)(=O)c2ccc(Cl)c(C#N)c2)c[nH+]1 ZINC000055239205 540639139 /nfs/dbraw/zinc/63/91/39/540639139.db2.gz GTFDVKNVEFAHOA-UHFFFAOYSA-N 1 2 350.831 2.151 20 30 FEEDLO CN(C(=O)C[N@@H+]1CCCC[C@H]1C(=O)N1CCCC1)C1(C#N)CCCCC1 ZINC000063517023 541171916 /nfs/dbraw/zinc/17/19/16/541171916.db2.gz OIZUSPOKQNEHAE-KRWDZBQOSA-N 1 2 360.502 2.148 20 30 FEEDLO CN(C(=O)C[N@H+]1CCCC[C@H]1C(=O)N1CCCC1)C1(C#N)CCCCC1 ZINC000063517023 541171921 /nfs/dbraw/zinc/17/19/21/541171921.db2.gz OIZUSPOKQNEHAE-KRWDZBQOSA-N 1 2 360.502 2.148 20 30 FEEDLO N#Cc1cccnc1N1CCC[N@H+](Cc2nc(-c3ccco3)no2)CC1 ZINC000064632848 541212792 /nfs/dbraw/zinc/21/27/92/541212792.db2.gz WWKIPXJSDMHDHH-UHFFFAOYSA-N 1 2 350.382 2.309 20 30 FEEDLO N#Cc1cccnc1N1CCC[N@@H+](Cc2nc(-c3ccco3)no2)CC1 ZINC000064632848 541212795 /nfs/dbraw/zinc/21/27/95/541212795.db2.gz WWKIPXJSDMHDHH-UHFFFAOYSA-N 1 2 350.382 2.309 20 30 FEEDLO N#Cc1cccnc1N1CCC[N@@H+](CC(=O)Nc2cccc(F)c2)CC1 ZINC000064634378 541213610 /nfs/dbraw/zinc/21/36/10/541213610.db2.gz UIEZLNVJVPVPPP-UHFFFAOYSA-N 1 2 353.401 2.243 20 30 FEEDLO N#Cc1cccnc1N1CCC[N@H+](CC(=O)Nc2cccc(F)c2)CC1 ZINC000064634378 541213613 /nfs/dbraw/zinc/21/36/13/541213613.db2.gz UIEZLNVJVPVPPP-UHFFFAOYSA-N 1 2 353.401 2.243 20 30 FEEDLO N#Cc1ccccc1C[N@H+]1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC000064353252 541202427 /nfs/dbraw/zinc/20/24/27/541202427.db2.gz RQMRNDGDYGXFBD-UHFFFAOYSA-N 1 2 355.463 2.455 20 30 FEEDLO N#Cc1ccccc1C[N@@H+]1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC000064353252 541202431 /nfs/dbraw/zinc/20/24/31/541202431.db2.gz RQMRNDGDYGXFBD-UHFFFAOYSA-N 1 2 355.463 2.455 20 30 FEEDLO Cc1nnc(NCc2cccc(OCC[NH+]3CCOCC3)c2)c(C#N)c1C ZINC000064947889 541221420 /nfs/dbraw/zinc/22/14/20/541221420.db2.gz RBNRGWYIXPNIGB-UHFFFAOYSA-N 1 2 367.453 2.288 20 30 FEEDLO C[NH+](C)CCNC(=O)c1cccc(C/N=C/c2cc([N+](=O)[O-])ccc2O)c1 ZINC000066255536 541295315 /nfs/dbraw/zinc/29/53/15/541295315.db2.gz YWLXKCURWYXGPS-DEDYPNTBSA-N 1 2 370.409 2.211 20 30 FEEDLO N#Cc1ccc(OC[C@@H](O)C[NH+]2CCN(C(=O)C3CCCCC3)CC2)cc1 ZINC000066866392 541383239 /nfs/dbraw/zinc/38/32/39/541383239.db2.gz BNAIWUZURYGFBL-IBGZPJMESA-N 1 2 371.481 2.022 20 30 FEEDLO COc1cc([C@H](C#N)NC(=O)c2ccc3[nH+]ccn3c2)cc(OC)c1OC ZINC000068325878 541577255 /nfs/dbraw/zinc/57/72/55/541577255.db2.gz OVNKFLHSEHFLBY-AWEZNQCLSA-N 1 2 366.377 2.355 20 30 FEEDLO Cc1cccc2[nH+]c(CNC(=O)c3ccc(-n4ncc(C#N)c4N)cc3)cn21 ZINC000068570565 541610456 /nfs/dbraw/zinc/61/04/56/541610456.db2.gz INOJVVKUHDOIBT-UHFFFAOYSA-N 1 2 371.404 2.212 20 30 FEEDLO Cc1nn(C)cc1[C@H](C)NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000069339352 541679188 /nfs/dbraw/zinc/67/91/88/541679188.db2.gz SYNZNXZBWQYFLG-HNNXBMFYSA-N 1 2 366.469 2.189 20 30 FEEDLO CC(=O)NCC1CC[NH+](CC(=O)Nc2ccccc2SCC#N)CC1 ZINC000052848744 205188403 /nfs/dbraw/zinc/18/84/03/205188403.db2.gz KIYYEFXNJCKUDO-UHFFFAOYSA-N 1 2 360.483 2.089 20 30 FEEDLO C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000073108383 541919664 /nfs/dbraw/zinc/91/96/64/541919664.db2.gz XYMVBBVZUVNZOP-IXDOHACOSA-N 1 2 355.486 2.253 20 30 FEEDLO C=CCNC(=O)CN1CC[NH+](Cc2cc(-c3ccc(C)cc3)no2)CC1 ZINC000073871539 542009198 /nfs/dbraw/zinc/00/91/98/542009198.db2.gz CZGGCBPBRPBIAC-UHFFFAOYSA-N 1 2 354.454 2.070 20 30 FEEDLO C[N@H+](CCN1CCOCC1)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000074290118 542064990 /nfs/dbraw/zinc/06/49/90/542064990.db2.gz XLIGVYQMVJOLLO-UHFFFAOYSA-N 1 2 354.454 2.002 20 30 FEEDLO C[N@@H+](CCN1CCOCC1)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000074290118 542064994 /nfs/dbraw/zinc/06/49/94/542064994.db2.gz XLIGVYQMVJOLLO-UHFFFAOYSA-N 1 2 354.454 2.002 20 30 FEEDLO Cc1cnc(CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000075095005 542152115 /nfs/dbraw/zinc/15/21/15/542152115.db2.gz XGNSNSQMDKHOJE-UHFFFAOYSA-N 1 2 355.467 2.351 20 30 FEEDLO C[C@H]1C[N@H+](Cc2ccccc2)CCN1S(=O)(=O)c1ccccc1C#N ZINC000076854734 542326918 /nfs/dbraw/zinc/32/69/18/542326918.db2.gz XKXUUICGNQDTET-INIZCTEOSA-N 1 2 355.463 2.453 20 30 FEEDLO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1S(=O)(=O)c1ccccc1C#N ZINC000076854734 542326922 /nfs/dbraw/zinc/32/69/22/542326922.db2.gz XKXUUICGNQDTET-INIZCTEOSA-N 1 2 355.463 2.453 20 30 FEEDLO O=C(NCCn1cc[nH+]c1)C(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC000077789193 542421279 /nfs/dbraw/zinc/42/12/79/542421279.db2.gz PJTYUKQVDPPLJP-UHFFFAOYSA-N 1 2 358.401 2.038 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cc(Cl)c2c(c1)OCCO2 ZINC000078688012 542476985 /nfs/dbraw/zinc/47/69/85/542476985.db2.gz GYFAZXPISGFHAU-UHFFFAOYSA-N 1 2 365.861 2.159 20 30 FEEDLO C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC([C@@H](O)c2nccn2C)CC1 ZINC000089925207 542773792 /nfs/dbraw/zinc/77/37/92/542773792.db2.gz WYGRRDSRGRAULM-RDTXWAMCSA-N 1 2 367.453 2.064 20 30 FEEDLO C=CC[N@@H+](CC(=O)N1CCN([C@H](C#N)C(C)C)CC1)Cc1cccs1 ZINC000091516094 542811695 /nfs/dbraw/zinc/81/16/95/542811695.db2.gz MPHZPSLMPSYPOB-GOSISDBHSA-N 1 2 360.527 2.428 20 30 FEEDLO C=CC[N@H+](CC(=O)N1CCN([C@H](C#N)C(C)C)CC1)Cc1cccs1 ZINC000091516094 542811698 /nfs/dbraw/zinc/81/16/98/542811698.db2.gz MPHZPSLMPSYPOB-GOSISDBHSA-N 1 2 360.527 2.428 20 30 FEEDLO CC1(C)C(=O)NCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000104072898 543122004 /nfs/dbraw/zinc/12/20/04/543122004.db2.gz CPDGKRSOOTZMIF-UHFFFAOYSA-N 1 2 360.483 2.038 20 30 FEEDLO CC1(C)C(=O)NCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000104072898 543122007 /nfs/dbraw/zinc/12/20/07/543122007.db2.gz CPDGKRSOOTZMIF-UHFFFAOYSA-N 1 2 360.483 2.038 20 30 FEEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)[C@@H]1CCCCNC1=O ZINC000108363886 543287683 /nfs/dbraw/zinc/28/76/83/543287683.db2.gz IAXYDJOZLANZCS-GOEBONIOSA-N 1 2 374.510 2.477 20 30 FEEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)[C@@H]1CCCCNC1=O ZINC000108363886 543287685 /nfs/dbraw/zinc/28/76/85/543287685.db2.gz IAXYDJOZLANZCS-GOEBONIOSA-N 1 2 374.510 2.477 20 30 FEEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](N3CCCC3=O)C2)cc1Cl ZINC000111293318 543394196 /nfs/dbraw/zinc/39/41/96/543394196.db2.gz XNUFGDGIQBMVBU-OAHLLOKOSA-N 1 2 360.845 2.237 20 30 FEEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H](N3CCCC3=O)C2)cc1Cl ZINC000111293318 543394199 /nfs/dbraw/zinc/39/41/99/543394199.db2.gz XNUFGDGIQBMVBU-OAHLLOKOSA-N 1 2 360.845 2.237 20 30 FEEDLO COCC1CC[NH+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC1 ZINC000112353772 543443135 /nfs/dbraw/zinc/44/31/35/543443135.db2.gz DKIODHYMHJFLOA-UHFFFAOYSA-N 1 2 353.426 2.041 20 30 FEEDLO COc1ccccc1NC(=O)[C@@H](C)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000115675236 543581214 /nfs/dbraw/zinc/58/12/14/543581214.db2.gz KDPAUTHTVYBZET-OAHLLOKOSA-N 1 2 365.437 2.111 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)/C=C/c1ccnc2ccccc12 ZINC000117776377 543639887 /nfs/dbraw/zinc/63/98/87/543639887.db2.gz TVHLSHGIKMLFPC-VOTSOKGWSA-N 1 2 364.449 2.322 20 30 FEEDLO C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)c1ccc(C#N)[nH]1 ZINC000124055033 543798619 /nfs/dbraw/zinc/79/86/19/543798619.db2.gz XYGCGDJGPPWMAJ-MRXNPFEDSA-N 1 2 352.438 2.249 20 30 FEEDLO COc1ccc(C#N)cc1CN1CC[NH+](CC(=O)N2CCCCCC2)CC1 ZINC000127054666 543970543 /nfs/dbraw/zinc/97/05/43/543970543.db2.gz XNMWXFBFLALREV-UHFFFAOYSA-N 1 2 370.497 2.087 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)o1 ZINC000129794044 544127899 /nfs/dbraw/zinc/12/78/99/544127899.db2.gz UCBYUQVIXSMFNC-UHFFFAOYSA-N 1 2 363.414 2.233 20 30 FEEDLO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](c1ccco1)c1ccccc1OC ZINC000130820107 544166683 /nfs/dbraw/zinc/16/66/83/544166683.db2.gz DMNUHDUPCDAQTR-DYVFJYSZSA-N 1 2 357.410 2.368 20 30 FEEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)/C(C)=C\c2ccccc2Cl)CC1 ZINC000131539135 544194403 /nfs/dbraw/zinc/19/44/03/544194403.db2.gz XXAIDDUQKGSIMM-PEZBUJJGSA-N 1 2 373.884 2.027 20 30 FEEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)/C(C)=C\c2ccccc2Cl)CC1 ZINC000131539135 544194405 /nfs/dbraw/zinc/19/44/05/544194405.db2.gz XXAIDDUQKGSIMM-PEZBUJJGSA-N 1 2 373.884 2.027 20 30 FEEDLO C[N@H+](CCC(=O)Nc1sccc1C#N)Cc1nc2ccsc2c(=O)[nH]1 ZINC000131605318 544197834 /nfs/dbraw/zinc/19/78/34/544197834.db2.gz CEMSXKQRQFPTFH-UHFFFAOYSA-N 1 2 373.463 2.378 20 30 FEEDLO C[N@@H+](CCC(=O)Nc1sccc1C#N)Cc1nc2ccsc2c(=O)[nH]1 ZINC000131605318 544197838 /nfs/dbraw/zinc/19/78/38/544197838.db2.gz CEMSXKQRQFPTFH-UHFFFAOYSA-N 1 2 373.463 2.378 20 30 FEEDLO Cn1nccc1C1C[C@H]2CC[C@@H](C1)[N@H+]2Cn1nc(CC#N)n(C)c1=S ZINC000802747279 674195712 /nfs/dbraw/zinc/19/57/12/674195712.db2.gz QPHYUZXDSWUCJG-AGUYFDCRSA-N 1 2 357.487 2.119 20 30 FEEDLO Cn1nccc1C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cn1nc(CC#N)n(C)c1=S ZINC000802747279 674195714 /nfs/dbraw/zinc/19/57/14/674195714.db2.gz QPHYUZXDSWUCJG-AGUYFDCRSA-N 1 2 357.487 2.119 20 30 FEEDLO Cc1cccc(Cl)c1NC(=O)CN(CCC#N)CC[NH+]1CCOCC1 ZINC000132689071 544240187 /nfs/dbraw/zinc/24/01/87/544240187.db2.gz BBUHIWDMVSXVLH-UHFFFAOYSA-N 1 2 364.877 2.135 20 30 FEEDLO Cn1cc(C#N)cc1C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000133448043 544270092 /nfs/dbraw/zinc/27/00/92/544270092.db2.gz UGNGSTJYTMSLIK-ROUUACIJSA-N 1 2 372.856 2.352 20 30 FEEDLO Cn1cc(C#N)cc1C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000133448043 544270095 /nfs/dbraw/zinc/27/00/95/544270095.db2.gz UGNGSTJYTMSLIK-ROUUACIJSA-N 1 2 372.856 2.352 20 30 FEEDLO C[N@@H+]1CCN(S(=O)(=O)c2ccc(F)cc2C#N)[C@H](c2ccccc2)C1 ZINC000151768552 544578399 /nfs/dbraw/zinc/57/83/99/544578399.db2.gz VUXKJZFHZDNYAO-KRWDZBQOSA-N 1 2 359.426 2.375 20 30 FEEDLO C[N@H+]1CCN(S(=O)(=O)c2ccc(F)cc2C#N)[C@H](c2ccccc2)C1 ZINC000151768552 544578404 /nfs/dbraw/zinc/57/84/04/544578404.db2.gz VUXKJZFHZDNYAO-KRWDZBQOSA-N 1 2 359.426 2.375 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)NCc2cccnc2-n2cc[nH+]c2)c(Cl)c1 ZINC000183474173 327820196 /nfs/dbraw/zinc/82/01/96/327820196.db2.gz JLVGHBNROWUGFI-UHFFFAOYSA-N 1 2 373.825 2.271 20 30 FEEDLO Cc1oc(NC(=O)[C@H](C)[NH+]2CCC(Cn3cncn3)CC2)c(C#N)c1C ZINC000186219736 327952609 /nfs/dbraw/zinc/95/26/09/327952609.db2.gz MGSHAPRAECFSHL-ZDUSSCGKSA-N 1 2 356.430 2.099 20 30 FEEDLO COc1cc[nH+]c(CN2CCN(c3cccc(F)c3C#N)CC2)c1OC ZINC000190297383 328198984 /nfs/dbraw/zinc/19/89/84/328198984.db2.gz WVQGCOFBPATNHN-UHFFFAOYSA-N 1 2 356.401 2.432 20 30 FEEDLO N#Cc1cccc(CNC(=O)NC[C@H](c2cccs2)[NH+]2CCOCC2)c1 ZINC000047740479 324643305 /nfs/dbraw/zinc/64/33/05/324643305.db2.gz LSVLHPTYZGUFIQ-QGZVFWFLSA-N 1 2 370.478 2.492 20 30 FEEDLO Cc1cn2c([nH+]1)CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1C#N)C2 ZINC000090168839 325355703 /nfs/dbraw/zinc/35/57/03/325355703.db2.gz SWTUVTUXMBSYRX-CYBMUJFWSA-N 1 2 350.831 2.010 20 30 FEEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1ccc(N2CCCC2)nc1 ZINC000091936648 325398688 /nfs/dbraw/zinc/39/86/88/325398688.db2.gz DPNPMGXWPGRRGX-MRXNPFEDSA-N 1 2 363.469 2.054 20 30 FEEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1ccc(N2CCCC2)nc1 ZINC000091936648 325398689 /nfs/dbraw/zinc/39/86/89/325398689.db2.gz DPNPMGXWPGRRGX-MRXNPFEDSA-N 1 2 363.469 2.054 20 30 FEEDLO Cc1cccc(N2CC[NH+]([C@H]3CC(=O)N(c4ccc(C#N)cc4)C3=O)CC2)c1 ZINC000102936516 325502149 /nfs/dbraw/zinc/50/21/49/325502149.db2.gz BXUDWIXITDIDPC-FQEVSTJZSA-N 1 2 374.444 2.321 20 30 FEEDLO N#Cc1cc(NC(=O)C(=O)N2CC[NH+](Cc3cccs3)CC2)ccc1F ZINC000102963682 325502452 /nfs/dbraw/zinc/50/24/52/325502452.db2.gz MYHPXMZTDLGWKH-UHFFFAOYSA-N 1 2 372.425 2.042 20 30 FEEDLO N#Cc1ccc(N2CC[NH+](CCNC(=O)c3ccccc3F)CC2)cc1 ZINC000108846761 325652442 /nfs/dbraw/zinc/65/24/42/325652442.db2.gz WZKJIXCOBPGUTK-UHFFFAOYSA-N 1 2 352.413 2.249 20 30 FEEDLO Cc1oc(NC(=O)C[NH+]2CCC(CN3CCCCC3=O)CC2)c(C#N)c1C ZINC000118852091 326108160 /nfs/dbraw/zinc/10/81/60/326108160.db2.gz ZYHZYHGKQHOODY-UHFFFAOYSA-N 1 2 372.469 2.431 20 30 FEEDLO COCOc1ccc(OC)cc1C[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000122955527 326415177 /nfs/dbraw/zinc/41/51/77/326415177.db2.gz XFROTLHQRLBHAE-UHFFFAOYSA-N 1 2 368.437 2.267 20 30 FEEDLO Cc1ccc(CC[NH+]2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 ZINC000123745104 326441598 /nfs/dbraw/zinc/44/15/98/326441598.db2.gz QTOPTJRPPHXQMG-UHFFFAOYSA-N 1 2 369.490 2.416 20 30 FEEDLO N#Cc1cc(N2CC[NH+](CC(=O)N3CCCC3)CC2)ccc1C(F)(F)F ZINC000136883674 326656183 /nfs/dbraw/zinc/65/61/83/326656183.db2.gz NBDVPZCKZWPVHX-UHFFFAOYSA-N 1 2 366.387 2.321 20 30 FEEDLO N#Cc1ccc(N2CC[C@H]([NH+]3CCC([C@@H](O)C(F)(F)F)CC3)C2=O)cc1 ZINC000141109851 326664698 /nfs/dbraw/zinc/66/46/98/326664698.db2.gz IRTUUWIARDNCTD-JKSUJKDBSA-N 1 2 367.371 2.299 20 30 FEEDLO N#Cc1c(Cl)cccc1S(=O)(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000151158083 326676065 /nfs/dbraw/zinc/67/60/65/326676065.db2.gz WSFRBDSLVRVDQG-CYBMUJFWSA-N 1 2 363.826 2.449 20 30 FEEDLO N#Cc1ccc(Cl)cc1NC(=O)C[NH+]1CCC(Cn2ccnn2)CC1 ZINC000156152731 326819506 /nfs/dbraw/zinc/81/95/06/326819506.db2.gz BBIZBYTXEBWFAT-UHFFFAOYSA-N 1 2 358.833 2.154 20 30 FEEDLO N#Cc1cccc(S(=O)(=O)CC[NH+]2CCC(C3CCOCC3)CC2)c1 ZINC000156943030 326849155 /nfs/dbraw/zinc/84/91/55/326849155.db2.gz VFRXRMGEDANXHF-UHFFFAOYSA-N 1 2 362.495 2.471 20 30 FEEDLO Cc1ccc(C#N)c(N2CC[NH+](CC(=O)N(C)C3CCCCC3)CC2)n1 ZINC000161177947 326990789 /nfs/dbraw/zinc/99/07/89/326990789.db2.gz RVQQMKRKMYRHFY-UHFFFAOYSA-N 1 2 355.486 2.175 20 30 FEEDLO N#Cc1cccc(NCC(=O)N2CC[NH+](Cc3cccc(O)c3)CC2)c1 ZINC000164359006 327068874 /nfs/dbraw/zinc/06/88/74/327068874.db2.gz BZULCYLTISOWNT-UHFFFAOYSA-N 1 2 350.422 2.020 20 30 FEEDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)c3ccc(C#N)cn3)CC2)c1 ZINC000171604918 327147857 /nfs/dbraw/zinc/14/78/57/327147857.db2.gz FFSAITLGWKCVJM-HNNXBMFYSA-N 1 2 350.422 2.481 20 30 FEEDLO Cc1oc(NC(=O)C[N@@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)c(C#N)c1C ZINC000171621288 327148983 /nfs/dbraw/zinc/14/89/83/327148983.db2.gz OXONSRWWMSPADV-CQSZACIVSA-N 1 2 368.441 2.124 20 30 FEEDLO Cc1oc(NC(=O)C[N@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)c(C#N)c1C ZINC000171621288 327148985 /nfs/dbraw/zinc/14/89/85/327148985.db2.gz OXONSRWWMSPADV-CQSZACIVSA-N 1 2 368.441 2.124 20 30 FEEDLO CC1(C)COCC[N@@H+]1CCNC(=O)CCCCOc1cccc(C#N)c1 ZINC000171778321 327161064 /nfs/dbraw/zinc/16/10/64/327161064.db2.gz CCKNYCGAEJDCDU-UHFFFAOYSA-N 1 2 359.470 2.334 20 30 FEEDLO CC1(C)COCC[N@H+]1CCNC(=O)CCCCOc1cccc(C#N)c1 ZINC000171778321 327161066 /nfs/dbraw/zinc/16/10/66/327161066.db2.gz CCKNYCGAEJDCDU-UHFFFAOYSA-N 1 2 359.470 2.334 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)N2CC[NH+](C3CCC3)CC2)c(C(F)(F)F)c1 ZINC000264944886 329077169 /nfs/dbraw/zinc/07/71/69/329077169.db2.gz ICNDGRSOQODTOA-UHFFFAOYSA-N 1 2 373.400 2.436 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCc3ccc(O)c(F)c3)CC2)cc1 ZINC000265775374 329159003 /nfs/dbraw/zinc/15/90/03/329159003.db2.gz JMVYXMSJXUCUNV-UHFFFAOYSA-N 1 2 368.412 2.430 20 30 FEEDLO N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)Cn1cc[nH+]c1)CCCC2 ZINC000267378180 329320821 /nfs/dbraw/zinc/32/08/21/329320821.db2.gz AILPDWOQVBFPOH-CQSZACIVSA-N 1 2 353.426 2.253 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C[C@H]3CSCCS3)CC2)cc1 ZINC000269721696 329543178 /nfs/dbraw/zinc/54/31/78/329543178.db2.gz URDJFNVAEVKMDU-KRWDZBQOSA-N 1 2 361.536 2.441 20 30 FEEDLO Cc1nc2ccnn2c(C)c1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000270508690 329606300 /nfs/dbraw/zinc/60/63/00/329606300.db2.gz OCUYTWKNCXIKOW-UHFFFAOYSA-N 1 2 374.448 2.176 20 30 FEEDLO N#Cc1ccnc(N2CC[NH+](CCOCC(F)(F)C(F)(F)F)CC2)c1 ZINC000276346311 330143326 /nfs/dbraw/zinc/14/33/26/330143326.db2.gz JMQZLRIABCXJMK-UHFFFAOYSA-N 1 2 364.318 2.289 20 30 FEEDLO C[C@H](NC(=O)N[C@@H]1CCCc2cc(C#N)ccc21)[C@H](C)[NH+]1CCOCC1 ZINC000416696705 330261196 /nfs/dbraw/zinc/26/11/96/330261196.db2.gz VRKYPITVBDHIHZ-YZVOILCLSA-N 1 2 356.470 2.344 20 30 FEEDLO CCN(C[C@H](C)C#N)C(=O)CN1CCC[C@H]1c1[nH+]c2c(n1C)CCCC2 ZINC000275988330 521234965 /nfs/dbraw/zinc/23/49/65/521234965.db2.gz OQGQCRXPNQZKEH-QAPCUYQASA-N 1 2 357.502 2.444 20 30 FEEDLO Cc1ncsc1C[N@H+]1C[C@@H](F)C[C@H]1CN(C)C(=O)c1cc(C#N)c[nH]1 ZINC000275570651 527502027 /nfs/dbraw/zinc/50/20/27/527502027.db2.gz XOHODPWHOLKHJN-KBPBESRZSA-N 1 2 361.446 2.336 20 30 FEEDLO Cc1ncsc1C[N@@H+]1C[C@@H](F)C[C@H]1CN(C)C(=O)c1cc(C#N)c[nH]1 ZINC000275570651 527502035 /nfs/dbraw/zinc/50/20/35/527502035.db2.gz XOHODPWHOLKHJN-KBPBESRZSA-N 1 2 361.446 2.336 20 30 FEEDLO C=CCN(CCc1ccccc1)C(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000155432334 545525233 /nfs/dbraw/zinc/52/52/33/545525233.db2.gz YLENOVQDRDRSAF-UHFFFAOYSA-N 1 2 364.493 2.461 20 30 FEEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cnn(-c2ccccc2)c1 ZINC000155657044 545555151 /nfs/dbraw/zinc/55/51/51/545555151.db2.gz FAFZVGYQMCXEET-MRXNPFEDSA-N 1 2 359.437 2.245 20 30 FEEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cnn(-c2ccccc2)c1 ZINC000155657044 545555153 /nfs/dbraw/zinc/55/51/53/545555153.db2.gz FAFZVGYQMCXEET-MRXNPFEDSA-N 1 2 359.437 2.245 20 30 FEEDLO Cc1cccc(S(=O)(=O)NCC[N@@H+]2CCc3sccc3C2)c1C#N ZINC000156705416 545650818 /nfs/dbraw/zinc/65/08/18/545650818.db2.gz YSVNJYRMPIQFHY-UHFFFAOYSA-N 1 2 361.492 2.265 20 30 FEEDLO Cc1cccc(S(=O)(=O)NCC[N@H+]2CCc3sccc3C2)c1C#N ZINC000156705416 545650824 /nfs/dbraw/zinc/65/08/24/545650824.db2.gz YSVNJYRMPIQFHY-UHFFFAOYSA-N 1 2 361.492 2.265 20 30 FEEDLO COc1cc(C[N@H+](C)CCS(=O)(=O)c2cccc(C#N)c2)ccc1O ZINC000156725318 545652976 /nfs/dbraw/zinc/65/29/76/545652976.db2.gz IBQYQEGVHTWZAC-UHFFFAOYSA-N 1 2 360.435 2.178 20 30 FEEDLO COc1cc(C[N@@H+](C)CCS(=O)(=O)c2cccc(C#N)c2)ccc1O ZINC000156725318 545652979 /nfs/dbraw/zinc/65/29/79/545652979.db2.gz IBQYQEGVHTWZAC-UHFFFAOYSA-N 1 2 360.435 2.178 20 30 FEEDLO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(C[C@H](O)c2ccsc2)CC1=O ZINC000156792168 545659967 /nfs/dbraw/zinc/65/99/67/545659967.db2.gz OMXNBHNGRWBUTL-HNNXBMFYSA-N 1 2 368.462 2.441 20 30 FEEDLO Cn1cnnc1[C@H]1CCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000157015064 545688895 /nfs/dbraw/zinc/68/88/95/545688895.db2.gz TWBRQABNZIVXIY-CQSZACIVSA-N 1 2 370.482 2.403 20 30 FEEDLO Cn1cnnc1[C@H]1CCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000157015064 545688900 /nfs/dbraw/zinc/68/89/00/545688900.db2.gz TWBRQABNZIVXIY-CQSZACIVSA-N 1 2 370.482 2.403 20 30 FEEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000157042763 545693555 /nfs/dbraw/zinc/69/35/55/545693555.db2.gz CAURIPBMMCPHKF-QFBILLFUSA-N 1 2 356.470 2.072 20 30 FEEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+](CCO)Cc1cccnc1 ZINC000157044023 545693668 /nfs/dbraw/zinc/69/36/68/545693668.db2.gz LFVSEGPLBQWGOK-CYBMUJFWSA-N 1 2 358.829 2.428 20 30 FEEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+](CCO)Cc1cccnc1 ZINC000157044023 545693672 /nfs/dbraw/zinc/69/36/72/545693672.db2.gz LFVSEGPLBQWGOK-CYBMUJFWSA-N 1 2 358.829 2.428 20 30 FEEDLO NC(=O)c1cccnc1N1CC[NH+](CC#Cc2cccc(Cl)c2)CC1 ZINC000157996916 545810137 /nfs/dbraw/zinc/81/01/37/545810137.db2.gz BWLWHTWPUFZCRF-UHFFFAOYSA-N 1 2 354.841 2.008 20 30 FEEDLO CC(C)COc1ccc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1 ZINC000478235464 561162736 /nfs/dbraw/zinc/16/27/36/561162736.db2.gz MXORSTVFCDYMQT-UHFFFAOYSA-N 1 2 359.470 2.409 20 30 FEEDLO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(Cc2cc(F)ccc2C#N)CC1 ZINC000159794515 545980466 /nfs/dbraw/zinc/98/04/66/545980466.db2.gz BJTDEVMCCHHIPW-HNNXBMFYSA-N 1 2 358.461 2.262 20 30 FEEDLO C=CCNC(=O)CN1CC[NH+](Cc2ccc(C(=O)OC(C)(C)C)cc2)CC1 ZINC000160853975 546078214 /nfs/dbraw/zinc/07/82/14/546078214.db2.gz SPYNRNYSSQHARZ-UHFFFAOYSA-N 1 2 373.497 2.062 20 30 FEEDLO C=C[C@@H](CC(=O)N1CC[C@H](OCC[NH+]2CCOCC2)C1)c1ccccc1 ZINC000478872660 561176652 /nfs/dbraw/zinc/17/66/52/561176652.db2.gz KPFYBISZFUPJDO-ICSRJNTNSA-N 1 2 358.482 2.296 20 30 FEEDLO COc1cccc([C@@H](C)N2CC[NH+]([C@@H](C)C(=O)N(C)CCC#N)CC2)c1 ZINC000171705967 546219539 /nfs/dbraw/zinc/21/95/39/546219539.db2.gz NOPLQDNFRSEZDO-SJORKVTESA-N 1 2 358.486 2.134 20 30 FEEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+]Cc1nnc2n1CCCC2 ZINC000173636258 546284623 /nfs/dbraw/zinc/28/46/23/546284623.db2.gz FIUCZQQZWIQTKQ-AWEZNQCLSA-N 1 2 359.499 2.369 20 30 FEEDLO COc1ccc([C@H](CO)[N@H+](C)CCS(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000176243451 546424129 /nfs/dbraw/zinc/42/41/29/546424129.db2.gz IBCZSGOTCJOGTC-IBGZPJMESA-N 1 2 374.462 2.006 20 30 FEEDLO COc1ccc([C@H](CO)[N@@H+](C)CCS(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000176243451 546424130 /nfs/dbraw/zinc/42/41/30/546424130.db2.gz IBCZSGOTCJOGTC-IBGZPJMESA-N 1 2 374.462 2.006 20 30 FEEDLO CO[C@]1(C)C[C@@H]([N@H+](C)CCS(=O)(=O)c2ccc(C#N)cc2)C1(C)C ZINC000176286928 546427998 /nfs/dbraw/zinc/42/79/98/546427998.db2.gz WVQIZMSNXKMZLA-SJLPKXTDSA-N 1 2 350.484 2.467 20 30 FEEDLO CO[C@]1(C)C[C@@H]([N@@H+](C)CCS(=O)(=O)c2ccc(C#N)cc2)C1(C)C ZINC000176286928 546428001 /nfs/dbraw/zinc/42/80/01/546428001.db2.gz WVQIZMSNXKMZLA-SJLPKXTDSA-N 1 2 350.484 2.467 20 30 FEEDLO COC(=O)[C@H](NCC[N@@H+]1CCc2sccc2C1)c1cccc(C#N)c1 ZINC000176726867 546480532 /nfs/dbraw/zinc/48/05/32/546480532.db2.gz AMCOPXJTGPQXNO-GOSISDBHSA-N 1 2 355.463 2.482 20 30 FEEDLO COC(=O)[C@H](NCC[N@H+]1CCc2sccc2C1)c1cccc(C#N)c1 ZINC000176726867 546480534 /nfs/dbraw/zinc/48/05/34/546480534.db2.gz AMCOPXJTGPQXNO-GOSISDBHSA-N 1 2 355.463 2.482 20 30 FEEDLO CO[C@@H](C)c1noc(CN2CCC[N@H+](Cc3ccccc3C#N)CC2)n1 ZINC000177462108 546623557 /nfs/dbraw/zinc/62/35/57/546623557.db2.gz CIPHTAFUWUFXDV-HNNXBMFYSA-N 1 2 355.442 2.357 20 30 FEEDLO CO[C@@H](C)c1noc(CN2CCC[N@@H+](Cc3ccccc3C#N)CC2)n1 ZINC000177462108 546623558 /nfs/dbraw/zinc/62/35/58/546623558.db2.gz CIPHTAFUWUFXDV-HNNXBMFYSA-N 1 2 355.442 2.357 20 30 FEEDLO Cc1nc(CC(N)=[NH+]OCC(=O)N2CCC[C@H]3CCCC[C@H]32)cs1 ZINC000177560518 546644676 /nfs/dbraw/zinc/64/46/76/546644676.db2.gz RDHZVJNRPZNKJO-UKRRQHHQSA-N 1 2 350.488 2.464 20 30 FEEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCN(c2cc(F)ccc2F)CC1 ZINC000177632496 546657544 /nfs/dbraw/zinc/65/75/44/546657544.db2.gz LPDWXSYRQAKUKN-AWEZNQCLSA-N 1 2 350.413 2.095 20 30 FEEDLO C=CCCC[C@@H](C)NC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000179799089 547014359 /nfs/dbraw/zinc/01/43/59/547014359.db2.gz JWKHVPIXSCAITM-QGZVFWFLSA-N 1 2 358.486 2.371 20 30 FEEDLO C=CCOC[C@@H]([NH2+]C1CCN(c2ccc(F)cc2F)CC1)C(=O)OC ZINC000482449200 561254200 /nfs/dbraw/zinc/25/42/00/561254200.db2.gz PJSGQYOSNYTPTJ-MRXNPFEDSA-N 1 2 354.397 2.267 20 30 FEEDLO CC#CCCNC(=O)N[C@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1 ZINC000482647607 561257498 /nfs/dbraw/zinc/25/74/98/561257498.db2.gz ONAJSAYQCLEVIQ-KRWDZBQOSA-N 1 2 356.426 2.239 20 30 FEEDLO CCN(C)c1ccc(C[N@@H+]2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)cn1 ZINC000483248393 561271753 /nfs/dbraw/zinc/27/17/53/561271753.db2.gz QFLYVODAWOSKPJ-IIBYNOLFSA-N 1 2 361.449 2.383 20 30 FEEDLO CCN(C)c1ccc(C[N@H+]2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)cn1 ZINC000483248393 561271754 /nfs/dbraw/zinc/27/17/54/561271754.db2.gz QFLYVODAWOSKPJ-IIBYNOLFSA-N 1 2 361.449 2.383 20 30 FEEDLO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(C#N)cc1Cl)c1ccco1 ZINC000183396607 547650833 /nfs/dbraw/zinc/65/08/33/547650833.db2.gz QFEURENEMGIRBY-CYBMUJFWSA-N 1 2 353.831 2.386 20 30 FEEDLO COc1cccc([C@@H](C)[NH+]2CCN(S(=O)(=O)CC3(C#N)CC3)CC2)c1 ZINC000183880409 547733231 /nfs/dbraw/zinc/73/32/31/547733231.db2.gz ZXWCXKRRHBIXAT-OAHLLOKOSA-N 1 2 363.483 2.007 20 30 FEEDLO Cc1oc(NC(=O)C[NH2+][C@@H](C)c2nnnn2-c2ccccc2)c(C#N)c1C ZINC000184817840 547882357 /nfs/dbraw/zinc/88/23/57/547882357.db2.gz OHEKAABPLHMLNF-LBPRGKRZSA-N 1 2 365.397 2.033 20 30 FEEDLO CC[C@H]1CCCC[C@H]1OCC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000184909884 547898228 /nfs/dbraw/zinc/89/82/28/547898228.db2.gz AWQNCDQMCYJAPZ-ZWKOTPCHSA-N 1 2 351.491 2.046 20 30 FEEDLO CC[C@H]1CN(S(=O)(=O)c2ccc(C#N)nc2)CC[N@@H+]1Cc1ccccc1 ZINC000184944482 547904475 /nfs/dbraw/zinc/90/44/75/547904475.db2.gz ZMLANUXXBLNTJE-SFHVURJKSA-N 1 2 370.478 2.238 20 30 FEEDLO CC[C@H]1CN(S(=O)(=O)c2ccc(C#N)nc2)CC[N@H+]1Cc1ccccc1 ZINC000184944482 547904478 /nfs/dbraw/zinc/90/44/78/547904478.db2.gz ZMLANUXXBLNTJE-SFHVURJKSA-N 1 2 370.478 2.238 20 30 FEEDLO Cc1nc(N2CCN(C(=O)/C=C/c3ccc(OCC#N)cc3)CC2)cc[nH+]1 ZINC000184939469 547904512 /nfs/dbraw/zinc/90/45/12/547904512.db2.gz XRAAUDYEQPTANN-QPJJXVBHSA-N 1 2 363.421 2.049 20 30 FEEDLO COc1cc(C#N)ccc1S(=O)(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000185495414 547993096 /nfs/dbraw/zinc/99/30/96/547993096.db2.gz MBSMLMDNCSIUAQ-UHFFFAOYSA-N 1 2 368.418 2.231 20 30 FEEDLO CCOC(=O)c1nn(C)cc1C[N@H+](CCOC)Cc1ccc(C#N)cc1 ZINC000186187899 548096849 /nfs/dbraw/zinc/09/68/49/548096849.db2.gz RUTHDUBYOFLKIF-UHFFFAOYSA-N 1 2 356.426 2.117 20 30 FEEDLO CCOC(=O)c1nn(C)cc1C[N@@H+](CCOC)Cc1ccc(C#N)cc1 ZINC000186187899 548096852 /nfs/dbraw/zinc/09/68/52/548096852.db2.gz RUTHDUBYOFLKIF-UHFFFAOYSA-N 1 2 356.426 2.117 20 30 FEEDLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C3(C#N)CCCC3)c2)CC1 ZINC000187164816 548252548 /nfs/dbraw/zinc/25/25/48/548252548.db2.gz JXNLYMIJWRNVIU-UHFFFAOYSA-N 1 2 354.454 2.373 20 30 FEEDLO CC[N@@H+](CC(=O)Nc1ccccc1SCC#N)C[C@H](O)C(F)(F)F ZINC000189511885 548305149 /nfs/dbraw/zinc/30/51/49/548305149.db2.gz LNMNHVPAHMMEJT-ZDUSSCGKSA-N 1 2 361.389 2.486 20 30 FEEDLO CC[N@H+](CC(=O)Nc1ccccc1SCC#N)C[C@H](O)C(F)(F)F ZINC000189511885 548305153 /nfs/dbraw/zinc/30/51/53/548305153.db2.gz LNMNHVPAHMMEJT-ZDUSSCGKSA-N 1 2 361.389 2.486 20 30 FEEDLO C=C(C)CS(=O)(=O)N(Cc1ccccc1)[C@@H](C)C[NH+]1CCOCC1 ZINC000189588361 548306415 /nfs/dbraw/zinc/30/64/15/548306415.db2.gz MQKLCMIBCIURGC-KRWDZBQOSA-N 1 2 352.500 2.115 20 30 FEEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000189666608 548307067 /nfs/dbraw/zinc/30/70/67/548307067.db2.gz ZTLRJLPMGZXXRV-OAHLLOKOSA-N 1 2 370.501 2.140 20 30 FEEDLO C=CCN(CCOC)C(=O)NC[C@@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000190974387 548338044 /nfs/dbraw/zinc/33/80/44/548338044.db2.gz MWWWSUNVGXONDP-IBGZPJMESA-N 1 2 361.486 2.212 20 30 FEEDLO CC(=O)NC(C)(C)C(N)=[NH+]OCc1cc(C#N)ccc1Br ZINC000191685185 548349187 /nfs/dbraw/zinc/34/91/87/548349187.db2.gz CDLNHUJTSBDDBA-UHFFFAOYSA-N 1 2 353.220 2.024 20 30 FEEDLO C=CCN(CCOC)C(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000191980162 548354699 /nfs/dbraw/zinc/35/46/99/548354699.db2.gz QFAYXKUDPYFKJM-UHFFFAOYSA-N 1 2 356.426 2.187 20 30 FEEDLO O=C1[C@H]([NH+]2CCN(CC#Cc3ccccc3)CC2)CCN1c1ccccc1 ZINC000192023824 548356039 /nfs/dbraw/zinc/35/60/39/548356039.db2.gz IZWAGXPMQAEUAC-JOCHJYFZSA-N 1 2 359.473 2.461 20 30 FEEDLO O=C1[C@H](N2CC[NH+](CC#Cc3ccccc3)CC2)CCN1c1ccccc1 ZINC000192023824 548356044 /nfs/dbraw/zinc/35/60/44/548356044.db2.gz IZWAGXPMQAEUAC-JOCHJYFZSA-N 1 2 359.473 2.461 20 30 FEEDLO CC(C)OC(=O)[C@@H]1CCC[N@@H+]1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192677832 548370584 /nfs/dbraw/zinc/37/05/84/548370584.db2.gz JYXKHDCOSATTPP-MSOLQXFVSA-N 1 2 355.438 2.470 20 30 FEEDLO CC(C)OC(=O)[C@@H]1CCC[N@H+]1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192677832 548370590 /nfs/dbraw/zinc/37/05/90/548370590.db2.gz JYXKHDCOSATTPP-MSOLQXFVSA-N 1 2 355.438 2.470 20 30 FEEDLO C=CCc1ccc(OC[C@H](O)Cn2ncc3c2nc[nH+]c3NC)c(OC)c1 ZINC000193756319 548395746 /nfs/dbraw/zinc/39/57/46/548395746.db2.gz FRTNZXAIVMQNKR-CQSZACIVSA-N 1 2 369.425 2.045 20 30 FEEDLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](C#N)C1CCCCC1 ZINC000486587351 561351626 /nfs/dbraw/zinc/35/16/26/561351626.db2.gz NYPHBSMYDYOICE-IAGOWNOFSA-N 1 2 359.474 2.072 20 30 FEEDLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](C#N)C1CCCCC1 ZINC000486587351 561351627 /nfs/dbraw/zinc/35/16/27/561351627.db2.gz NYPHBSMYDYOICE-IAGOWNOFSA-N 1 2 359.474 2.072 20 30 FEEDLO Cc1ccc(C#N)cc1NC(=O)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000195213126 548597031 /nfs/dbraw/zinc/59/70/31/548597031.db2.gz ZYPAKLPRAILZGY-UHFFFAOYSA-N 1 2 373.416 2.366 20 30 FEEDLO CC(C)CNC(=O)C[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000195415736 548636850 /nfs/dbraw/zinc/63/68/50/548636850.db2.gz RLPCXLOMZXXUSP-UHFFFAOYSA-N 1 2 351.454 2.001 20 30 FEEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CCCN(c3ccccn3)CC2)C1=O ZINC000248859146 549515861 /nfs/dbraw/zinc/51/58/61/549515861.db2.gz FNMYMDAWUIKQBK-INIZCTEOSA-N 1 2 367.478 2.332 20 30 FEEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CCCN(c3ccccn3)CC2)C1=O ZINC000248859146 549515865 /nfs/dbraw/zinc/51/58/65/549515865.db2.gz FNMYMDAWUIKQBK-INIZCTEOSA-N 1 2 367.478 2.332 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+](C)[C@H]2CCN(C)C2=O)c1 ZINC000265658817 550013385 /nfs/dbraw/zinc/01/33/85/550013385.db2.gz RLRBWWMRIKKPKO-WMZOPIPTSA-N 1 2 356.470 2.101 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+](C)[C@H]2CCN(C)C2=O)c1 ZINC000265658817 550013386 /nfs/dbraw/zinc/01/33/86/550013386.db2.gz RLRBWWMRIKKPKO-WMZOPIPTSA-N 1 2 356.470 2.101 20 30 FEEDLO CC[C@H]1C[N@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)CCS1 ZINC000266631679 550022042 /nfs/dbraw/zinc/02/20/42/550022042.db2.gz QDZTWCHXVPFPJU-GXTWGEPZSA-N 1 2 356.451 2.339 20 30 FEEDLO CC[C@H]1C[N@@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)CCS1 ZINC000266631679 550022045 /nfs/dbraw/zinc/02/20/45/550022045.db2.gz QDZTWCHXVPFPJU-GXTWGEPZSA-N 1 2 356.451 2.339 20 30 FEEDLO CCN(CC)C(=O)C[N@H+](C)[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000266622589 550022056 /nfs/dbraw/zinc/02/20/56/550022056.db2.gz GFUKRICCMWRYGM-HNNXBMFYSA-N 1 2 362.449 2.261 20 30 FEEDLO CCN(CC)C(=O)C[N@@H+](C)[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000266622589 550022058 /nfs/dbraw/zinc/02/20/58/550022058.db2.gz GFUKRICCMWRYGM-HNNXBMFYSA-N 1 2 362.449 2.261 20 30 FEEDLO C=C(C)COc1cccc(NC(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)c1 ZINC000267465998 550032370 /nfs/dbraw/zinc/03/23/70/550032370.db2.gz MAMAJVAXHYQHPK-UHFFFAOYSA-N 1 2 360.458 2.055 20 30 FEEDLO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3nnc4n3CCCC4)CC2)c1 ZINC000269639208 550212868 /nfs/dbraw/zinc/21/28/68/550212868.db2.gz RASUMMMYQXAUAP-UHFFFAOYSA-N 1 2 364.453 2.337 20 30 FEEDLO COc1ccc(NC(=O)[C@H](C)O[NH+]=C(N)c2ccc3c(c2)CCO3)cc1 ZINC000269860697 550231573 /nfs/dbraw/zinc/23/15/73/550231573.db2.gz IWMVBGWBQBLGQM-LBPRGKRZSA-N 1 2 355.394 2.294 20 30 FEEDLO Cc1nn(C)c(C)c1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000271552247 550384837 /nfs/dbraw/zinc/38/48/37/550384837.db2.gz MPOGWXBYQYZGFT-UHFFFAOYSA-N 1 2 352.442 2.258 20 30 FEEDLO C[C@H](C(=O)N(C)CCC#N)N1CCc2c([nH+]cn2-c2ccc(F)cc2)C1 ZINC000272716993 550466579 /nfs/dbraw/zinc/46/65/79/550466579.db2.gz IKZRVJUGAQUREN-CQSZACIVSA-N 1 2 355.417 2.130 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)CN1CCC[C@@H]1c1[nH+]c2c(n1C)CCCC2 ZINC000276128453 550577148 /nfs/dbraw/zinc/57/71/48/550577148.db2.gz YEVJFUFGDOXTJI-YLJYHZDGSA-N 1 2 357.502 2.490 20 30 FEEDLO COCCOCCOCC[N@H+](C)Cc1cc(C#N)ccc1Br ZINC000276838658 550601875 /nfs/dbraw/zinc/60/18/75/550601875.db2.gz BZXMQCAEWPJZBO-UHFFFAOYSA-N 1 2 371.275 2.432 20 30 FEEDLO COCCOCCOCC[N@@H+](C)Cc1cc(C#N)ccc1Br ZINC000276838658 550601876 /nfs/dbraw/zinc/60/18/76/550601876.db2.gz BZXMQCAEWPJZBO-UHFFFAOYSA-N 1 2 371.275 2.432 20 30 FEEDLO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CC[C@@H](C)[S@](=O)CC2)c(OC)c1 ZINC000277205944 550643214 /nfs/dbraw/zinc/64/32/14/550643214.db2.gz MYPZTGPYIORLBO-XVNUGVHUSA-N 1 2 367.511 2.006 20 30 FEEDLO C=CCc1ccc(OC[C@H](O)C[N@H+]2CC[C@@H](C)[S@](=O)CC2)c(OC)c1 ZINC000277205944 550643216 /nfs/dbraw/zinc/64/32/16/550643216.db2.gz MYPZTGPYIORLBO-XVNUGVHUSA-N 1 2 367.511 2.006 20 30 FEEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)C1=O ZINC000277881406 550724937 /nfs/dbraw/zinc/72/49/37/550724937.db2.gz VJUGRGVSVKMQQK-RWMBFGLXSA-N 1 2 373.400 2.360 20 30 FEEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)C1=O ZINC000277881406 550724938 /nfs/dbraw/zinc/72/49/38/550724938.db2.gz VJUGRGVSVKMQQK-RWMBFGLXSA-N 1 2 373.400 2.360 20 30 FEEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000277910591 550728201 /nfs/dbraw/zinc/72/82/01/550728201.db2.gz UXAKUKVEFDANHZ-UHFFFAOYSA-N 1 2 356.470 2.345 20 30 FEEDLO N#CC1(NC(=O)C[N@H+]2CCC[C@H](Oc3ncccc3F)C2)CCCCC1 ZINC000278853909 550829054 /nfs/dbraw/zinc/82/90/54/550829054.db2.gz MFWYTAIKQIXRQU-HNNXBMFYSA-N 1 2 360.433 2.407 20 30 FEEDLO N#CC1(NC(=O)C[N@@H+]2CCC[C@H](Oc3ncccc3F)C2)CCCCC1 ZINC000278853909 550829056 /nfs/dbraw/zinc/82/90/56/550829056.db2.gz MFWYTAIKQIXRQU-HNNXBMFYSA-N 1 2 360.433 2.407 20 30 FEEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000278880016 550831963 /nfs/dbraw/zinc/83/19/63/550831963.db2.gz NBHUIUMONKQMHL-LIRRHRJNSA-N 1 2 372.494 2.231 20 30 FEEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000278880016 550831965 /nfs/dbraw/zinc/83/19/65/550831965.db2.gz NBHUIUMONKQMHL-LIRRHRJNSA-N 1 2 372.494 2.231 20 30 FEEDLO C#CCn1ccc(C[N@@H+](CC)[C@@H](C)C(=O)NCCOc2cccc(C)c2)n1 ZINC000279679105 550915967 /nfs/dbraw/zinc/91/59/67/550915967.db2.gz GIUABTMFMAJNBD-SFHVURJKSA-N 1 2 368.481 2.230 20 30 FEEDLO C#CCn1ccc(C[N@H+](CC)[C@@H](C)C(=O)NCCOc2cccc(C)c2)n1 ZINC000279679105 550915968 /nfs/dbraw/zinc/91/59/68/550915968.db2.gz GIUABTMFMAJNBD-SFHVURJKSA-N 1 2 368.481 2.230 20 30 FEEDLO COc1ccccc1-n1nccc1C[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000280893363 551043098 /nfs/dbraw/zinc/04/30/98/551043098.db2.gz DPQQWZGFCYLWER-UHFFFAOYSA-N 1 2 374.448 2.470 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1=O ZINC000281170033 551070241 /nfs/dbraw/zinc/07/02/41/551070241.db2.gz ADWYKOGIFVWDEB-YJBOKZPZSA-N 1 2 372.444 2.180 20 30 FEEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1=O ZINC000281170033 551070243 /nfs/dbraw/zinc/07/02/43/551070243.db2.gz ADWYKOGIFVWDEB-YJBOKZPZSA-N 1 2 372.444 2.180 20 30 FEEDLO N#Cc1ccc(F)c(C[NH+]2CCC(S(=O)(=O)N3CCCC3)CC2)c1 ZINC000282335830 551213170 /nfs/dbraw/zinc/21/31/70/551213170.db2.gz VBBXKPKCFWBWSG-UHFFFAOYSA-N 1 2 351.447 2.087 20 30 FEEDLO CC[N@H+](CC(=O)Nc1ccccc1S[C@@H](C)CC#N)[C@H]1CCNC1=O ZINC000282375124 551219783 /nfs/dbraw/zinc/21/97/83/551219783.db2.gz ODNBOUYLPZUMRZ-ZFWWWQNUSA-N 1 2 360.483 2.230 20 30 FEEDLO CC[N@@H+](CC(=O)Nc1ccccc1S[C@@H](C)CC#N)[C@H]1CCNC1=O ZINC000282375124 551219784 /nfs/dbraw/zinc/21/97/84/551219784.db2.gz ODNBOUYLPZUMRZ-ZFWWWQNUSA-N 1 2 360.483 2.230 20 30 FEEDLO C=C(C)Cn1c(CC2CC2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000283562568 551388327 /nfs/dbraw/zinc/38/83/27/551388327.db2.gz IWZJVFVZFLIGAF-UHFFFAOYSA-N 1 2 353.474 2.232 20 30 FEEDLO COc1ccc2cc(CN(C)C(=O)CO[NH+]=C(N)[C@H]3CCCO3)ccc2c1 ZINC000284392588 551540120 /nfs/dbraw/zinc/54/01/20/551540120.db2.gz MOPWLDJNTPMZJN-GOSISDBHSA-N 1 2 371.437 2.275 20 30 FEEDLO CN(C)S(=O)(=O)c1cccc2c1CC[N@H+](Cc1cccc(C#N)c1)C2 ZINC000284903147 551663358 /nfs/dbraw/zinc/66/33/58/551663358.db2.gz UWVNSIGSEZRYNT-UHFFFAOYSA-N 1 2 355.463 2.367 20 30 FEEDLO CN(C)S(=O)(=O)c1cccc2c1CC[N@@H+](Cc1cccc(C#N)c1)C2 ZINC000284903147 551663360 /nfs/dbraw/zinc/66/33/60/551663360.db2.gz UWVNSIGSEZRYNT-UHFFFAOYSA-N 1 2 355.463 2.367 20 30 FEEDLO CCN(CC)c1ccc(CNS(=O)(=O)CC2(C#N)CCCC2)c[nH+]1 ZINC000498892624 561537004 /nfs/dbraw/zinc/53/70/04/561537004.db2.gz PSNGMGBVUVNTOS-UHFFFAOYSA-N 1 2 350.488 2.431 20 30 FEEDLO Cn1ncc2c1nc(N1CCC(Oc3ccc(C#N)cc3F)CC1)[nH+]c2N ZINC000286374268 551880189 /nfs/dbraw/zinc/88/01/89/551880189.db2.gz MUOSVSYJRYZGRT-UHFFFAOYSA-N 1 2 367.388 2.004 20 30 FEEDLO N#CCCN(C(=O)C[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](CO)C1)c1ccccc1 ZINC000286403389 551883660 /nfs/dbraw/zinc/88/36/60/551883660.db2.gz HOESWLRHERQJFQ-GDBMZVCRSA-N 1 2 369.387 2.426 20 30 FEEDLO N#CCCN(C(=O)C[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](CO)C1)c1ccccc1 ZINC000286403389 551883662 /nfs/dbraw/zinc/88/36/62/551883662.db2.gz HOESWLRHERQJFQ-GDBMZVCRSA-N 1 2 369.387 2.426 20 30 FEEDLO Cn1c[nH+]cc1CCC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000286803553 551927874 /nfs/dbraw/zinc/92/78/74/551927874.db2.gz WRSLSZSCAYSPID-UHFFFAOYSA-N 1 2 356.401 2.433 20 30 FEEDLO C=C(CNC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)c1ccccc1 ZINC000287258901 551982214 /nfs/dbraw/zinc/98/22/14/551982214.db2.gz UKZUEDAMPPNLPR-UHFFFAOYSA-N 1 2 355.442 2.050 20 30 FEEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)C(C)(C)c1cc(F)cc(C#N)c1 ZINC000287619534 552026229 /nfs/dbraw/zinc/02/62/29/552026229.db2.gz ZCGHMPNBZAFIOG-RDTXWAMCSA-N 1 2 359.445 2.297 20 30 FEEDLO C=CCOc1ccc(CNC(=O)N2CC[C@@H]([NH+]3CCN(CC)CC3)C2)cc1 ZINC000288370489 552142210 /nfs/dbraw/zinc/14/22/10/552142210.db2.gz JEBUAMSYHKKVQM-LJQANCHMSA-N 1 2 372.513 2.173 20 30 FEEDLO N#Cc1ccc(CNC(=O)C[NH2+][C@H](CO)c2cccc(Cl)c2F)cc1 ZINC000499935834 561562329 /nfs/dbraw/zinc/56/23/29/561562329.db2.gz BOEFMCMMYQTCFR-MRXNPFEDSA-N 1 2 361.804 2.290 20 30 FEEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)C1=O ZINC000499986329 561563417 /nfs/dbraw/zinc/56/34/17/561563417.db2.gz IMLLMZAARIXOBZ-CVEARBPZSA-N 1 2 365.836 2.303 20 30 FEEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)C1=O ZINC000499986329 561563418 /nfs/dbraw/zinc/56/34/18/561563418.db2.gz IMLLMZAARIXOBZ-CVEARBPZSA-N 1 2 365.836 2.303 20 30 FEEDLO Cc1onc(CC(=O)N[C@@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)c1C#N ZINC000499980875 561563441 /nfs/dbraw/zinc/56/34/41/561563441.db2.gz HJVXIDVYDNIBHG-CYBMUJFWSA-N 1 2 374.391 2.456 20 30 FEEDLO Cc1onc(CC(=O)N[C@@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)c1C#N ZINC000499980875 561563442 /nfs/dbraw/zinc/56/34/42/561563442.db2.gz HJVXIDVYDNIBHG-CYBMUJFWSA-N 1 2 374.391 2.456 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCCN(c3ccc(F)cc3C)C2=O)C1=O ZINC000500012368 561564025 /nfs/dbraw/zinc/56/40/25/561564025.db2.gz OJJVHQPNMFUECA-ROUUACIJSA-N 1 2 359.445 2.348 20 30 FEEDLO C=CCN1CC[C@H]([N@H+](C)[C@H]2CCCN(c3ccc(F)cc3C)C2=O)C1=O ZINC000500012368 561564026 /nfs/dbraw/zinc/56/40/26/561564026.db2.gz OJJVHQPNMFUECA-ROUUACIJSA-N 1 2 359.445 2.348 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C(=O)N2c3ccccc3CC[C@H]2C)C1=O ZINC000500020779 561564342 /nfs/dbraw/zinc/56/43/42/561564342.db2.gz SKGIQYOROKWZHB-MDZRGWNJSA-N 1 2 355.482 2.462 20 30 FEEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)C(=O)N2c3ccccc3CC[C@H]2C)C1=O ZINC000500020779 561564343 /nfs/dbraw/zinc/56/43/43/561564343.db2.gz SKGIQYOROKWZHB-MDZRGWNJSA-N 1 2 355.482 2.462 20 30 FEEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CCn2c[nH+]cc2C1 ZINC000290407092 552474484 /nfs/dbraw/zinc/47/44/84/552474484.db2.gz TZVYIFGCCWVMDI-CYBMUJFWSA-N 1 2 369.450 2.116 20 30 FEEDLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)C(C)(C)c1cc(F)cc(C#N)c1 ZINC000290889650 552556477 /nfs/dbraw/zinc/55/64/77/552556477.db2.gz KBDXHTRJRDRLQO-RDTXWAMCSA-N 1 2 359.445 2.297 20 30 FEEDLO N#Cc1ccc(N2CC[C@H](N3CC[NH+](Cc4ccco4)CC3)C2=O)cc1 ZINC000291460040 552626765 /nfs/dbraw/zinc/62/67/65/552626765.db2.gz AIXNDTYLAKWWEZ-IBGZPJMESA-N 1 2 350.422 2.074 20 30 FEEDLO Cc1nsc(N2CC[NH+](Cc3c[nH]nc3-c3cccnc3)CC2)c1C#N ZINC000291693513 552651909 /nfs/dbraw/zinc/65/19/09/552651909.db2.gz YGOOBTCKLZMOPY-UHFFFAOYSA-N 1 2 365.466 2.431 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCCC[C@H]1c1[nH+]ccn1CC ZINC000292299500 552713437 /nfs/dbraw/zinc/71/34/37/552713437.db2.gz KFWXVOAPFFQFFI-ULQDDVLXSA-N 1 2 374.485 2.054 20 30 FEEDLO C[C@@H](NC(=O)N1CCC(C#N)([NH+](C)C)CC1)[C@H]1OCCc2sccc21 ZINC000292307969 552714661 /nfs/dbraw/zinc/71/46/61/552714661.db2.gz WAGAPDQZVZMJAB-CZUORRHYSA-N 1 2 362.499 2.380 20 30 FEEDLO Cc1nc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)c(Cl)cc1C#N ZINC000292493120 552731937 /nfs/dbraw/zinc/73/19/37/552731937.db2.gz FDZSJLKDFWZVIG-CQSZACIVSA-N 1 2 361.877 2.048 20 30 FEEDLO C#CCCOc1ccc(C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)cc1 ZINC000294213804 552889019 /nfs/dbraw/zinc/88/90/19/552889019.db2.gz AMIKYTIQVXYXNF-UHFFFAOYSA-N 1 2 365.433 2.250 20 30 FEEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000295587926 553029711 /nfs/dbraw/zinc/02/97/11/553029711.db2.gz MHUMUWQBVPPIGO-XAUMDUMWSA-N 1 2 363.417 2.053 20 30 FEEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000295587926 553029713 /nfs/dbraw/zinc/02/97/13/553029713.db2.gz MHUMUWQBVPPIGO-XAUMDUMWSA-N 1 2 363.417 2.053 20 30 FEEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)c1ccc(Br)cc1C#N ZINC000296078784 553101388 /nfs/dbraw/zinc/10/13/88/553101388.db2.gz GVWVWJABQUAJAX-GFCCVEGCSA-N 1 2 366.259 2.113 20 30 FEEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000503237296 561637557 /nfs/dbraw/zinc/63/75/57/561637557.db2.gz FOTKUGWHEWWXHB-HOTGVXAUSA-N 1 2 356.470 2.089 20 30 FEEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+](C)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000503237296 561637558 /nfs/dbraw/zinc/63/75/58/561637558.db2.gz FOTKUGWHEWWXHB-HOTGVXAUSA-N 1 2 356.470 2.089 20 30 FEEDLO COc1ccc(C#N)cc1NC(=O)N[C@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000298275273 553406684 /nfs/dbraw/zinc/40/66/84/553406684.db2.gz GORJZTQKDKLTDH-OAHLLOKOSA-N 1 2 357.414 2.182 20 30 FEEDLO Cn1cc[nH+]c1CNC(=O)C(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC000503602362 561645281 /nfs/dbraw/zinc/64/52/81/561645281.db2.gz SYDNVMIMBNUNGQ-UHFFFAOYSA-N 1 2 358.401 2.075 20 30 FEEDLO CCC[N@H+](CC(=O)N(C)C)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000298860805 553482016 /nfs/dbraw/zinc/48/20/16/553482016.db2.gz RJZJNSRGQQSEMS-UHFFFAOYSA-N 1 2 364.877 2.387 20 30 FEEDLO CCC[N@@H+](CC(=O)N(C)C)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000298860805 553482018 /nfs/dbraw/zinc/48/20/18/553482018.db2.gz RJZJNSRGQQSEMS-UHFFFAOYSA-N 1 2 364.877 2.387 20 30 FEEDLO Cc1ccc2[nH+]c(CNC(=O)CCc3c(C)[nH]c(=O)c(C#N)c3C)cn2c1 ZINC000298945559 553493351 /nfs/dbraw/zinc/49/33/51/553493351.db2.gz JFHCMXSTXMJYRM-UHFFFAOYSA-N 1 2 363.421 2.481 20 30 FEEDLO N#Cc1c(N)n[nH]c1CCCNc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000301095998 553621261 /nfs/dbraw/zinc/62/12/61/553621261.db2.gz VSODASLZQTYVKL-UHFFFAOYSA-N 1 2 359.397 2.037 20 30 FEEDLO N#Cc1ccc(N2CC[NH+](CC(=O)N3CCCc4ccccc43)CC2)cn1 ZINC000301535813 553659014 /nfs/dbraw/zinc/65/90/14/553659014.db2.gz TXLIOOQVCDNHMS-UHFFFAOYSA-N 1 2 361.449 2.055 20 30 FEEDLO C[C@H]1CN(c2ccc(CNc3nccc(C#N)c3[N+](=O)[O-])c[nH+]2)C[C@H](C)O1 ZINC000301641945 553667865 /nfs/dbraw/zinc/66/78/65/553667865.db2.gz MPRVFLVGLBNPRG-STQMWFEESA-N 1 2 368.397 2.482 20 30 FEEDLO Cn1cc2c(n1)CCC[C@H]2C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000328650468 553802228 /nfs/dbraw/zinc/80/22/28/553802228.db2.gz JBDNMBJDXPGBDC-OAHLLOKOSA-N 1 2 355.442 2.228 20 30 FEEDLO C[NH+](C)Cc1nc(C(C)(C)NC(=O)c2coc(C3CCOCC3)n2)no1 ZINC000328673749 553805184 /nfs/dbraw/zinc/80/51/84/553805184.db2.gz JGMFNZLCHSTMHR-UHFFFAOYSA-N 1 2 363.418 2.253 20 30 FEEDLO CC(C)N1CCC[C@H]([N@@H+]2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)C1=O ZINC000328673921 553805316 /nfs/dbraw/zinc/80/53/16/553805316.db2.gz JKIKOAFCRURNSJ-CFLQYTFWSA-N 1 2 352.438 2.381 20 30 FEEDLO CC(C)N1CCC[C@H]([N@H+]2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)C1=O ZINC000328673921 553805319 /nfs/dbraw/zinc/80/53/19/553805319.db2.gz JKIKOAFCRURNSJ-CFLQYTFWSA-N 1 2 352.438 2.381 20 30 FEEDLO O=C(NC[C@@H]1CCC2(CCOCC2)[C@@H]1O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000328701519 553809322 /nfs/dbraw/zinc/80/93/22/553809322.db2.gz NJWHFOFCLLQJDP-OKZBNKHCSA-N 1 2 366.502 2.012 20 30 FEEDLO O=C(NC[C@@H]1CCC2(CCOCC2)[C@@H]1O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000328701519 553809323 /nfs/dbraw/zinc/80/93/23/553809323.db2.gz NJWHFOFCLLQJDP-OKZBNKHCSA-N 1 2 366.502 2.012 20 30 FEEDLO O=C(NCc1ccc[nH+]c1N1CCOCC1)c1coc(C2CCOCC2)n1 ZINC000328781186 553821321 /nfs/dbraw/zinc/82/13/21/553821321.db2.gz HFTVAODREOSZJP-UHFFFAOYSA-N 1 2 372.425 2.305 20 30 FEEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)N[C@@H]3CCCOc4ccc(F)cc43)C[C@@H]21 ZINC000328899890 553841373 /nfs/dbraw/zinc/84/13/73/553841373.db2.gz XUAAWNLQGNIECP-SOLBZPMBSA-N 1 2 363.433 2.358 20 30 FEEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)N[C@@H]3CCCOc4ccc(F)cc43)C[C@@H]21 ZINC000328899890 553841375 /nfs/dbraw/zinc/84/13/75/553841375.db2.gz XUAAWNLQGNIECP-SOLBZPMBSA-N 1 2 363.433 2.358 20 30 FEEDLO CN1CCO[C@H]2CC[N@H+](CC(=O)Nc3ccc4c(c3)OC(F)(F)O4)C[C@@H]21 ZINC000328903644 553841949 /nfs/dbraw/zinc/84/19/49/553841949.db2.gz IDOJEKNWZQAZNV-STQMWFEESA-N 1 2 369.368 2.001 20 30 FEEDLO CN1CCO[C@H]2CC[N@@H+](CC(=O)Nc3ccc4c(c3)OC(F)(F)O4)C[C@@H]21 ZINC000328903644 553841953 /nfs/dbraw/zinc/84/19/53/553841953.db2.gz IDOJEKNWZQAZNV-STQMWFEESA-N 1 2 369.368 2.001 20 30 FEEDLO C[N@@H+]1CCO[C@H]2CCN(CC(=O)Nc3ccc4c(c3)OC(F)(F)O4)C[C@@H]21 ZINC000328903644 553841959 /nfs/dbraw/zinc/84/19/59/553841959.db2.gz IDOJEKNWZQAZNV-STQMWFEESA-N 1 2 369.368 2.001 20 30 FEEDLO C[N@H+]1CCO[C@H]2CCN(CC(=O)Nc3ccc4c(c3)OC(F)(F)O4)C[C@@H]21 ZINC000328903644 553841963 /nfs/dbraw/zinc/84/19/63/553841963.db2.gz IDOJEKNWZQAZNV-STQMWFEESA-N 1 2 369.368 2.001 20 30 FEEDLO CO[C@H]1C[C@@H](C(=O)N2CCCC2)[N@H+](CC(=O)NC2CCCCCC2)C1 ZINC000328936790 553848747 /nfs/dbraw/zinc/84/87/47/553848747.db2.gz JPMXJTZTYDPRMZ-IRXDYDNUSA-N 1 2 351.491 2.377 20 30 FEEDLO CO[C@H]1C[C@@H](C(=O)N2CCCC2)[N@@H+](CC(=O)NC2CCCCCC2)C1 ZINC000328936790 553848749 /nfs/dbraw/zinc/84/87/49/553848749.db2.gz JPMXJTZTYDPRMZ-IRXDYDNUSA-N 1 2 351.491 2.377 20 30 FEEDLO CO[C@@H]1CCC[C@@H]1[C@@H]1COCC[N@@H+]1CC(=O)NC[C@H]1Cc2ccccc2O1 ZINC000328963308 553854313 /nfs/dbraw/zinc/85/43/13/553854313.db2.gz LLNKEADJEQEOFX-FTEYMNFISA-N 1 2 374.481 2.463 20 30 FEEDLO CO[C@@H]1CCC[C@@H]1[C@@H]1COCC[N@H+]1CC(=O)NC[C@H]1Cc2ccccc2O1 ZINC000328963308 553854316 /nfs/dbraw/zinc/85/43/16/553854316.db2.gz LLNKEADJEQEOFX-FTEYMNFISA-N 1 2 374.481 2.463 20 30 FEEDLO O=C(NC1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1)c1ccccc1 ZINC000329006868 553863506 /nfs/dbraw/zinc/86/35/06/553863506.db2.gz YACXCXGBHPLPGW-MRXNPFEDSA-N 1 2 352.438 2.441 20 30 FEEDLO C[C@@H]1C[C@H](C(=O)N[C@@H]2CCC(=O)N(C3CC3)[C@H]2c2c[nH+]cn2C)CCO1 ZINC000329056279 553872641 /nfs/dbraw/zinc/87/26/41/553872641.db2.gz XWFKRAWQKCAVRA-HOPMXRPOSA-N 1 2 360.458 2.386 20 30 FEEDLO C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000329067523 553874559 /nfs/dbraw/zinc/87/45/59/553874559.db2.gz LZXCSRUYRLDSME-VKJFTORMSA-N 1 2 353.463 2.317 20 30 FEEDLO C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000329067523 553874562 /nfs/dbraw/zinc/87/45/62/553874562.db2.gz LZXCSRUYRLDSME-VKJFTORMSA-N 1 2 353.463 2.317 20 30 FEEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N[C@H]1CCO[C@@H]1c1cccnc1)CCC2 ZINC000329099208 553879912 /nfs/dbraw/zinc/87/99/12/553879912.db2.gz ZACZKWXWLRYCQG-YESZJQIVSA-N 1 2 355.442 2.498 20 30 FEEDLO C=CCOc1ccc(CNC(=O)C(=O)Nc2ccc3[nH+]c(C)cn3c2)cc1 ZINC000506177131 561692444 /nfs/dbraw/zinc/69/24/44/561692444.db2.gz LZPMIDNMYPBOLG-UHFFFAOYSA-N 1 2 364.405 2.462 20 30 FEEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)NCCNC(=O)CC3CCCCC3)C[C@@H]21 ZINC000329140316 553887993 /nfs/dbraw/zinc/88/79/93/553887993.db2.gz SXVCAPAJDSFHSD-DLBZAZTESA-N 1 2 366.506 2.232 20 30 FEEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)NCCNC(=O)CC3CCCCC3)C[C@@H]21 ZINC000329140316 553887996 /nfs/dbraw/zinc/88/79/96/553887996.db2.gz SXVCAPAJDSFHSD-DLBZAZTESA-N 1 2 366.506 2.232 20 30 FEEDLO C[C@H](C(=O)Nc1cccc2ncccc21)[N@@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000329160666 553892337 /nfs/dbraw/zinc/89/23/37/553892337.db2.gz FHLDUIJZIYZNRF-IIYDPXPESA-N 1 2 359.451 2.330 20 30 FEEDLO C[C@H](C(=O)Nc1cccc2ncccc21)[N@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000329160666 553892338 /nfs/dbraw/zinc/89/23/38/553892338.db2.gz FHLDUIJZIYZNRF-IIYDPXPESA-N 1 2 359.451 2.330 20 30 FEEDLO Cc1nn(C)c(C)c1[C@@H]1COCCN1C(=O)NC[C@@H]1CCCn2cc[nH+]c21 ZINC000329165283 553893567 /nfs/dbraw/zinc/89/35/67/553893567.db2.gz HJHNRDRGCUBYRB-HOTGVXAUSA-N 1 2 372.473 2.098 20 30 FEEDLO C[C@H](NC(=O)[C@@H]1CSCN1C(=O)C1CCCC1)[C@H](C)[NH+]1CCOCC1 ZINC000329173999 553895848 /nfs/dbraw/zinc/89/58/48/553895848.db2.gz LRLKRMJJULGUDS-DZKIICNBSA-N 1 2 369.531 2.144 20 30 FEEDLO C[C@H]([C@H](C)NC(=O)[C@@H]1CCCC[C@@H]1C(=O)N1CCCC1)[NH+]1CCOCC1 ZINC000329226759 553906475 /nfs/dbraw/zinc/90/64/75/553906475.db2.gz ASAPBKMVDFOFOW-MLHJIOFPSA-N 1 2 365.518 2.481 20 30 FEEDLO CC(C)C[C@@H]1OCCC[C@@H]1NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000329227198 553906573 /nfs/dbraw/zinc/90/65/73/553906573.db2.gz HYYXUQDLIUJDMB-BDXSIMOUSA-N 1 2 353.507 2.289 20 30 FEEDLO O=C(NCc1cn2cc(Cl)ccc2[nH+]1)N1CCO[C@@]2(CCCOC2)C1 ZINC000329260389 553912891 /nfs/dbraw/zinc/91/28/91/553912891.db2.gz FPTCPDMJQANQFT-KRWDZBQOSA-N 1 2 364.833 2.283 20 30 FEEDLO CCC1(CC)[C@H](NC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)C[C@@H]1OC ZINC000329304075 553921667 /nfs/dbraw/zinc/92/16/67/553921667.db2.gz XBGLYFVILLWGAQ-HZMVEIRTSA-N 1 2 353.507 2.289 20 30 FEEDLO O=C(NCc1cccc(N2CCOCC2)n1)C1CC[NH+](CC(F)F)CC1 ZINC000329388283 553936593 /nfs/dbraw/zinc/93/65/93/553936593.db2.gz RGMLCDHBJAEVHH-UHFFFAOYSA-N 1 2 368.428 2.352 20 30 FEEDLO CC[N@@H+]1CCOC[C@H]1C(=O)N1CCC(C(=O)Nc2cccc(F)c2)CC1 ZINC000329409975 553941307 /nfs/dbraw/zinc/94/13/07/553941307.db2.gz XXHVSBUCOSEKPL-KRWDZBQOSA-N 1 2 363.433 2.373 20 30 FEEDLO CC[N@H+]1CCOC[C@H]1C(=O)N1CCC(C(=O)Nc2cccc(F)c2)CC1 ZINC000329409975 553941309 /nfs/dbraw/zinc/94/13/09/553941309.db2.gz XXHVSBUCOSEKPL-KRWDZBQOSA-N 1 2 363.433 2.373 20 30 FEEDLO Cn1cc[nH+]c1[C@@H](NC(=O)N1CCOC2(CCCC2)C1)C1CCOCC1 ZINC000329449321 553949385 /nfs/dbraw/zinc/94/93/85/553949385.db2.gz LHMVTNSXMGVPBF-INIZCTEOSA-N 1 2 362.474 2.447 20 30 FEEDLO N#Cc1cccc([C@H]2CN(C(=O)[C@H]3COCC[N@@H+]3C3CCCC3)CCO2)c1 ZINC000329528171 553962385 /nfs/dbraw/zinc/96/23/85/553962385.db2.gz ICLIRADCNQRNNZ-WOJBJXKFSA-N 1 2 369.465 2.102 20 30 FEEDLO N#Cc1cccc([C@H]2CN(C(=O)[C@H]3COCC[N@H+]3C3CCCC3)CCO2)c1 ZINC000329528171 553962388 /nfs/dbraw/zinc/96/23/88/553962388.db2.gz ICLIRADCNQRNNZ-WOJBJXKFSA-N 1 2 369.465 2.102 20 30 FEEDLO O=C(NCC1(C[NH+]2CCOCC2)CCCCC1)[C@@H]1CCCCS1(=O)=O ZINC000329583850 553972058 /nfs/dbraw/zinc/97/20/58/553972058.db2.gz LUPUDPNVITYQKZ-INIZCTEOSA-N 1 2 372.531 2.193 20 30 FEEDLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)C1(C2CC2)CCOCC1 ZINC000329639328 553980821 /nfs/dbraw/zinc/98/08/21/553980821.db2.gz WMZMZKDBJJLGPI-KRWDZBQOSA-N 1 2 354.516 2.358 20 30 FEEDLO C[C@@H]1Oc2ccc(NC(=O)N3CC[C@H]([NH+]4CCOCC4)C3)cc2NC1=O ZINC000329673464 553986457 /nfs/dbraw/zinc/98/64/57/553986457.db2.gz SVXPQEKKMBDGFW-JSGCOSHPSA-N 1 2 360.414 2.008 20 30 FEEDLO CC(C)(C)[C@@H]1NC(=O)CC[C@H]1NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000329703369 553991894 /nfs/dbraw/zinc/99/18/94/553991894.db2.gz IQXAKHBJDDYWJF-BFYDXBDKSA-N 1 2 366.506 2.231 20 30 FEEDLO CC[C@H]1CCc2nc(NC(=O)N3C[C@H]4OCC[N@H+](C)[C@H]4C3)sc2C1 ZINC000329720800 553995002 /nfs/dbraw/zinc/99/50/02/553995002.db2.gz AOPNQEHWDCTKAX-FPMFFAJLSA-N 1 2 350.488 2.218 20 30 FEEDLO CC[C@H]1CCc2nc(NC(=O)N3C[C@H]4OCC[N@@H+](C)[C@H]4C3)sc2C1 ZINC000329720800 553995003 /nfs/dbraw/zinc/99/50/03/553995003.db2.gz AOPNQEHWDCTKAX-FPMFFAJLSA-N 1 2 350.488 2.218 20 30 FEEDLO CC1CCN(c2ccc(CNC(=O)N3C[C@@H]4CC[C@H](O)[C@@H]4C3)c[nH+]2)CC1 ZINC000329754009 554000340 /nfs/dbraw/zinc/00/03/40/554000340.db2.gz KLXVWUHAAJBMOH-KSZLIROESA-N 1 2 358.486 2.435 20 30 FEEDLO Cc1ccc([C@@H](CNC(=O)N2C[C@H]3CC[C@@H](C2)O3)[NH+]2CCOCC2)cc1 ZINC000329779955 554004822 /nfs/dbraw/zinc/00/48/22/554004822.db2.gz RKXRLBJHYYHJOK-CEXWTWQISA-N 1 2 359.470 2.146 20 30 FEEDLO Cc1cc(C[N@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)N[C@H](C)[C@@H]2CCOC2)on1 ZINC000329799478 554007878 /nfs/dbraw/zinc/00/78/78/554007878.db2.gz HNTXHYSDJFEFNK-WCVJEAGWSA-N 1 2 368.453 2.166 20 30 FEEDLO Cc1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)N[C@H](C)[C@@H]2CCOC2)on1 ZINC000329799478 554007881 /nfs/dbraw/zinc/00/78/81/554007881.db2.gz HNTXHYSDJFEFNK-WCVJEAGWSA-N 1 2 368.453 2.166 20 30 FEEDLO CC[C@H]1CC[C@H](C)N1C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000329860322 554020204 /nfs/dbraw/zinc/02/02/04/554020204.db2.gz XGKOEVLDZOTRJN-HOCLYGCPSA-N 1 2 359.474 2.278 20 30 FEEDLO Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)[C@@H]2C[N@H+](C)CCO2)c(C)c1 ZINC000329873058 554022733 /nfs/dbraw/zinc/02/27/33/554022733.db2.gz BXCPHDRGRORPAY-CVEARBPZSA-N 1 2 363.483 2.124 20 30 FEEDLO Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)[C@@H]2C[N@@H+](C)CCO2)c(C)c1 ZINC000329873058 554022736 /nfs/dbraw/zinc/02/27/36/554022736.db2.gz BXCPHDRGRORPAY-CVEARBPZSA-N 1 2 363.483 2.124 20 30 FEEDLO CC(C)c1nnc([C@@H]2CN(C(=O)NCc3cn4c([nH+]3)CCCC4)CCO2)o1 ZINC000329896967 554026852 /nfs/dbraw/zinc/02/68/52/554026852.db2.gz CSSRYASKIJDUTC-AWEZNQCLSA-N 1 2 374.445 2.213 20 30 FEEDLO Cc1cc(CN2C[C@@H](F)C[C@H]2CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)on1 ZINC000329956465 554038720 /nfs/dbraw/zinc/03/87/20/554038720.db2.gz POXRRFWLZOUDGU-ILXRZTDVSA-N 1 2 361.421 2.311 20 30 FEEDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)COC2CCC(C)CC2)CC1 ZINC000329976974 554042111 /nfs/dbraw/zinc/04/21/11/554042111.db2.gz ZEOGAPYIRUUZHC-CKDBGZEDSA-N 1 2 351.491 2.233 20 30 FEEDLO CC[C@@H]1C[C@H](C(=O)NC[C@@H]2C[C@H](F)C[N@@H+]2Cc2cnn(C)c2)CCO1 ZINC000329986878 554044646 /nfs/dbraw/zinc/04/46/46/554044646.db2.gz SGBKAJMDAIRPBX-LTIDMASMSA-N 1 2 352.454 2.494 20 30 FEEDLO CC[C@@H]1C[C@H](C(=O)NC[C@@H]2C[C@H](F)C[N@H+]2Cc2cnn(C)c2)CCO1 ZINC000329986878 554044652 /nfs/dbraw/zinc/04/46/52/554044652.db2.gz SGBKAJMDAIRPBX-LTIDMASMSA-N 1 2 352.454 2.494 20 30 FEEDLO Cc1[nH+]ccn1C[C@H](C)C[NH+]=C([O-])N1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000330000668 554047253 /nfs/dbraw/zinc/04/72/53/554047253.db2.gz WVSSACUNVVYPMJ-RDTXWAMCSA-N 1 2 350.463 2.012 20 30 FEEDLO C[C@H](C(=O)N[C@@H](C)c1ncnn1C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000330012871 554048949 /nfs/dbraw/zinc/04/89/49/554048949.db2.gz LGROJXUOTBZKTQ-UONOGXRCSA-N 1 2 360.437 2.182 20 30 FEEDLO Cc1ccn2cc(CNC(=O)N3C[C@H](C)O[C@]4(CCCOC4)C3)[nH+]c2c1 ZINC000330062833 554057610 /nfs/dbraw/zinc/05/76/10/554057610.db2.gz BBPZDBPGIXLYOW-HNAYVOBHSA-N 1 2 358.442 2.327 20 30 FEEDLO C[C@@H]1C[N@H+](CC(=O)Nc2ccc3c(c2)OC(F)(F)O3)C[C@]2(CCOC2)O1 ZINC000330084616 554061887 /nfs/dbraw/zinc/06/18/87/554061887.db2.gz CEVGHNRPFZEJQP-BZNIZROVSA-N 1 2 370.352 2.476 20 30 FEEDLO C[C@@H]1C[N@@H+](CC(=O)Nc2ccc3c(c2)OC(F)(F)O3)C[C@]2(CCOC2)O1 ZINC000330084616 554061889 /nfs/dbraw/zinc/06/18/89/554061889.db2.gz CEVGHNRPFZEJQP-BZNIZROVSA-N 1 2 370.352 2.476 20 30 FEEDLO C[C@H]1C[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C[C@]2(CCCOC2)O1 ZINC000330105129 554065149 /nfs/dbraw/zinc/06/51/49/554065149.db2.gz IDMDNUSVOWSSBU-LIRRHRJNSA-N 1 2 354.410 2.378 20 30 FEEDLO C[C@H]1C[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C[C@]2(CCCOC2)O1 ZINC000330105129 554065150 /nfs/dbraw/zinc/06/51/50/554065150.db2.gz IDMDNUSVOWSSBU-LIRRHRJNSA-N 1 2 354.410 2.378 20 30 FEEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])N1CC[C@@H](N3CCCC3=O)C1)C2 ZINC000330110117 554066142 /nfs/dbraw/zinc/06/61/42/554066142.db2.gz QDRARJSDQLPSJW-LSDHHAIUSA-N 1 2 373.501 2.106 20 30 FEEDLO COc1ccc2occ(C(=O)N(CCC#N)CC[NH+]3CCOCC3)c2c1 ZINC000507624716 561735665 /nfs/dbraw/zinc/73/56/65/561735665.db2.gz BTLZUHVLOPKUDW-UHFFFAOYSA-N 1 2 357.410 2.129 20 30 FEEDLO C[C@H]1OCC[N@H+](CC(=O)NC(=O)Nc2ccc3c(c2)OCCCO3)[C@H]1C ZINC000330156385 554075766 /nfs/dbraw/zinc/07/57/66/554075766.db2.gz OQRUZHBGGKHODX-QWHCGFSZSA-N 1 2 363.414 2.459 20 30 FEEDLO C[C@H]1OCC[N@@H+](CC(=O)NC(=O)Nc2ccc3c(c2)OCCCO3)[C@H]1C ZINC000330156385 554075770 /nfs/dbraw/zinc/07/57/70/554075770.db2.gz OQRUZHBGGKHODX-QWHCGFSZSA-N 1 2 363.414 2.459 20 30 FEEDLO Cc1ccn2cc(CNC(=O)N[C@@H]3CCOC4(CCOCC4)C3)[nH+]c2c1 ZINC000330203361 554084360 /nfs/dbraw/zinc/08/43/60/554084360.db2.gz ASCAUQCWMDDEID-OAHLLOKOSA-N 1 2 358.442 2.375 20 30 FEEDLO O=C(NCc1cn2c([nH+]1)CCCC2)N[C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000330222331 554087962 /nfs/dbraw/zinc/08/79/62/554087962.db2.gz RSSRDDYUBGBWDS-DYVFJYSZSA-N 1 2 350.488 2.278 20 30 FEEDLO O=C(CC1CCCCC1)N1CCN(C([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330278137 554098412 /nfs/dbraw/zinc/09/84/12/554098412.db2.gz PFTIBLVWMAHFLR-KRWDZBQOSA-N 1 2 373.501 2.227 20 30 FEEDLO CO[C@]1(C)C[C@H](NC(=O)N[C@@H]2CCO[C@@H](c3c[nH+]cn3C)C2)C1(C)C ZINC000330341455 554108312 /nfs/dbraw/zinc/10/83/12/554108312.db2.gz ZGMIMRYRVXVJEP-LJGDNWOOSA-N 1 2 350.463 2.347 20 30 FEEDLO CCN1CCN(C(=O)Nc2ccc3c(c2)N(C)CCO3)C[C@@H]1c1[nH]cc[nH+]1 ZINC000330351484 554109964 /nfs/dbraw/zinc/10/99/64/554109964.db2.gz MHFPGEZIFSSJDP-MRXNPFEDSA-N 1 2 370.457 2.163 20 30 FEEDLO Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)Nc2nc3c(s2)COCC3)CCO1 ZINC000330358856 554110910 /nfs/dbraw/zinc/11/09/10/554110910.db2.gz VLCMOGSWARDSQL-GWCFXTLKSA-N 1 2 363.443 2.196 20 30 FEEDLO CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCCC[C@H]1c1[nH+]ccn1CC ZINC000330385634 554114279 /nfs/dbraw/zinc/11/42/79/554114279.db2.gz LNPKGTYENHWWFS-GJZGRUSLSA-N 1 2 353.492 2.156 20 30 FEEDLO C[C@@H]1C[N@H+](C)[C@H](C)CN1S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000507918489 561745892 /nfs/dbraw/zinc/74/58/92/561745892.db2.gz CRSHURQRPOQKTQ-GHMZBOCLSA-N 1 2 372.288 2.034 20 30 FEEDLO C[C@@H]1C[N@@H+](C)[C@H](C)CN1S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000507918489 561745894 /nfs/dbraw/zinc/74/58/94/561745894.db2.gz CRSHURQRPOQKTQ-GHMZBOCLSA-N 1 2 372.288 2.034 20 30 FEEDLO CCN(C)C(=O)C[NH+]1CCN(C(=O)Nc2ccc(C)c(Cl)c2)CC1 ZINC000330636804 554149052 /nfs/dbraw/zinc/14/90/52/554149052.db2.gz VIXPMPDSJJLSQB-UHFFFAOYSA-N 1 2 352.866 2.290 20 30 FEEDLO COc1cc(NC(=O)NC[C@H]2C[N@H+](C)CCO2)cc(OC)c1C(C)C ZINC000330700712 554159684 /nfs/dbraw/zinc/15/96/84/554159684.db2.gz HEMFRPDYANLPSL-AWEZNQCLSA-N 1 2 351.447 2.484 20 30 FEEDLO COc1cc(NC(=O)NC[C@H]2C[N@@H+](C)CCO2)cc(OC)c1C(C)C ZINC000330700712 554159685 /nfs/dbraw/zinc/15/96/85/554159685.db2.gz HEMFRPDYANLPSL-AWEZNQCLSA-N 1 2 351.447 2.484 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000330868486 554180592 /nfs/dbraw/zinc/18/05/92/554180592.db2.gz DVKMNPHQDRKSEX-MBOZVWFJSA-N 1 2 357.502 2.203 20 30 FEEDLO CC(C)(CC#N)CS(=O)(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000331286969 554241728 /nfs/dbraw/zinc/24/17/28/554241728.db2.gz AFVNFTAPTMFVFQ-UHFFFAOYSA-N 1 2 350.488 2.431 20 30 FEEDLO C=CCn1c(Cc2ccccc2C)nnc1N(C)CC[NH+]1CCOCC1 ZINC000508815023 561773813 /nfs/dbraw/zinc/77/38/13/561773813.db2.gz XNOOGJHLGIJPOV-UHFFFAOYSA-N 1 2 355.486 2.132 20 30 FEEDLO C=CCn1c(C(C)C)nnc1N1CC[NH+](CC(=O)NC2CCCCC2)CC1 ZINC000508829524 561774213 /nfs/dbraw/zinc/77/42/13/561774213.db2.gz UZZMKXIVLZDURK-UHFFFAOYSA-N 1 2 374.533 2.158 20 30 FEEDLO C=C(C)CC[NH+]1CCN(S(=O)(=O)c2ccc(C(=O)OCC)cc2)CC1 ZINC000509278782 561793472 /nfs/dbraw/zinc/79/34/72/561793472.db2.gz JCJLDBFNODIYQJ-UHFFFAOYSA-N 1 2 366.483 2.136 20 30 FEEDLO C[C@H]1CCC[C@H](NC(=O)CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000332001348 554360944 /nfs/dbraw/zinc/36/09/44/554360944.db2.gz RGTJPVJPQIYKRS-PXNSSMCTSA-N 1 2 354.498 2.371 20 30 FEEDLO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000332543499 554468452 /nfs/dbraw/zinc/46/84/52/554468452.db2.gz LWBCADVLKFUHFI-IUODEOHRSA-N 1 2 353.875 2.459 20 30 FEEDLO C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000332543499 554468459 /nfs/dbraw/zinc/46/84/59/554468459.db2.gz LWBCADVLKFUHFI-IUODEOHRSA-N 1 2 353.875 2.459 20 30 FEEDLO Cc1cn2c([nH+]1)[C@@H](CNS(=O)(=O)Cc1ccc(F)cc1C#N)CCC2 ZINC000333450764 554614452 /nfs/dbraw/zinc/61/44/52/554614452.db2.gz RQFVFJNBBUQZOS-CYBMUJFWSA-N 1 2 362.430 2.199 20 30 FEEDLO CC(=O)Nc1cccc2c1CC[N@H+](CC(=O)NCc1ccc(C#N)cc1)C2 ZINC000360112379 554863004 /nfs/dbraw/zinc/86/30/04/554863004.db2.gz JXEDGTQIXUJHJU-UHFFFAOYSA-N 1 2 362.433 2.191 20 30 FEEDLO CC(=O)Nc1cccc2c1CC[N@@H+](CC(=O)NCc1ccc(C#N)cc1)C2 ZINC000360112379 554863007 /nfs/dbraw/zinc/86/30/07/554863007.db2.gz JXEDGTQIXUJHJU-UHFFFAOYSA-N 1 2 362.433 2.191 20 30 FEEDLO N#Cc1ccc(CN2CC[N@@H+](CCCOCC(F)(F)F)CC2=O)cc1 ZINC000361491183 554921742 /nfs/dbraw/zinc/92/17/42/554921742.db2.gz VPPDZIUHSODBLV-UHFFFAOYSA-N 1 2 355.360 2.171 20 30 FEEDLO N#Cc1ccc(CN2CC[N@H+](CCCOCC(F)(F)F)CC2=O)cc1 ZINC000361491183 554921743 /nfs/dbraw/zinc/92/17/43/554921743.db2.gz VPPDZIUHSODBLV-UHFFFAOYSA-N 1 2 355.360 2.171 20 30 FEEDLO Cc1cc([C@@H]2CCC[N@H+](CCS(=O)(=O)c3cccc(C#N)c3)C2)[nH]n1 ZINC000362775264 554987731 /nfs/dbraw/zinc/98/77/31/554987731.db2.gz OSFOVTVGJWTVAS-MRXNPFEDSA-N 1 2 358.467 2.243 20 30 FEEDLO Cc1cc([C@@H]2CCC[N@@H+](CCS(=O)(=O)c3cccc(C#N)c3)C2)[nH]n1 ZINC000362775264 554987733 /nfs/dbraw/zinc/98/77/33/554987733.db2.gz OSFOVTVGJWTVAS-MRXNPFEDSA-N 1 2 358.467 2.243 20 30 FEEDLO Cc1cc([C@@H]2CCC[N@H+](CCS(=O)(=O)c3cccc(C#N)c3)C2)n[nH]1 ZINC000362775264 554987735 /nfs/dbraw/zinc/98/77/35/554987735.db2.gz OSFOVTVGJWTVAS-MRXNPFEDSA-N 1 2 358.467 2.243 20 30 FEEDLO Cc1cc([C@@H]2CCC[N@@H+](CCS(=O)(=O)c3cccc(C#N)c3)C2)n[nH]1 ZINC000362775264 554987737 /nfs/dbraw/zinc/98/77/37/554987737.db2.gz OSFOVTVGJWTVAS-MRXNPFEDSA-N 1 2 358.467 2.243 20 30 FEEDLO COc1cccc([C@H](NS(=O)(=O)CCCCC#N)c2[nH+]ccn2C)c1 ZINC000363185245 555048617 /nfs/dbraw/zinc/04/86/17/555048617.db2.gz SRLIHHALLRXPEH-INIZCTEOSA-N 1 2 362.455 2.131 20 30 FEEDLO Cc1ncc(C[NH+]2CCN(C(=O)Cc3c(F)cccc3C#N)CC2)s1 ZINC000511941542 561886203 /nfs/dbraw/zinc/88/62/03/561886203.db2.gz JLBSDEMKVMXREU-UHFFFAOYSA-N 1 2 358.442 2.349 20 30 FEEDLO CC(C)(C)OC(=O)CCC[N@@H+]1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000363653618 555156207 /nfs/dbraw/zinc/15/62/07/555156207.db2.gz WGLPCRJRXRTVIE-VLIAUNLRSA-N 1 2 355.438 2.454 20 30 FEEDLO CC(C)(C)OC(=O)CCC[N@H+]1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000363653618 555156209 /nfs/dbraw/zinc/15/62/09/555156209.db2.gz WGLPCRJRXRTVIE-VLIAUNLRSA-N 1 2 355.438 2.454 20 30 FEEDLO C=C[C@@](C)(CCOC)C(=O)N1CCN(Cc2c(C)[nH+]c3n2CCCC3)CC1 ZINC000363857839 555200717 /nfs/dbraw/zinc/20/07/17/555200717.db2.gz SEIMEGMZMKNJNT-NRFANRHFSA-N 1 2 374.529 2.401 20 30 FEEDLO N#Cc1ccsc1NC(=O)CC[NH2+][C@@H](c1nnc[nH]1)c1ccccc1 ZINC000363912336 555212261 /nfs/dbraw/zinc/21/22/61/555212261.db2.gz SVEDIJARBGCEPE-OAHLLOKOSA-N 1 2 352.423 2.446 20 30 FEEDLO C=C(C)C[N@@H+](CC(=O)NCc1cccc(OC)c1)Cc1ccc(CO)o1 ZINC000512186265 561895332 /nfs/dbraw/zinc/89/53/32/561895332.db2.gz MHWFYULJFKMCBW-UHFFFAOYSA-N 1 2 358.438 2.475 20 30 FEEDLO C=C(C)C[N@H+](CC(=O)NCc1cccc(OC)c1)Cc1ccc(CO)o1 ZINC000512186265 561895333 /nfs/dbraw/zinc/89/53/33/561895333.db2.gz MHWFYULJFKMCBW-UHFFFAOYSA-N 1 2 358.438 2.475 20 30 FEEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC[C@@H](NC(=O)C2CCC2)C1 ZINC000364188522 555265831 /nfs/dbraw/zinc/26/58/31/555265831.db2.gz FOYZCLZMSLAOLT-OAHLLOKOSA-N 1 2 360.845 2.141 20 30 FEEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CC[C@@H](NC(=O)C2CCC2)C1 ZINC000364188522 555265834 /nfs/dbraw/zinc/26/58/34/555265834.db2.gz FOYZCLZMSLAOLT-OAHLLOKOSA-N 1 2 360.845 2.141 20 30 FEEDLO Cc1[nH+]c2ccccn2c1[C@H]1C(=O)NCCN1Cc1ccc(C#N)c(F)c1 ZINC000364471965 555319867 /nfs/dbraw/zinc/31/98/67/555319867.db2.gz JWBUXKYZQKKCSC-IBGZPJMESA-N 1 2 363.396 2.327 20 30 FEEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCCN(c3ncccc3F)CC2)cc1 ZINC000364750920 555393476 /nfs/dbraw/zinc/39/34/76/555393476.db2.gz VDNWTPLEPRVMCQ-UHFFFAOYSA-N 1 2 353.401 2.243 20 30 FEEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCCN(c3ncccc3F)CC2)cc1 ZINC000364750920 555393481 /nfs/dbraw/zinc/39/34/81/555393481.db2.gz VDNWTPLEPRVMCQ-UHFFFAOYSA-N 1 2 353.401 2.243 20 30 FEEDLO Cc1[nH+]c2ccccn2c1[C@@H]1C(=O)NCCN1Cc1ccc(F)cc1C#N ZINC000365164512 555499656 /nfs/dbraw/zinc/49/96/56/555499656.db2.gz URXHZUFZXVZKCS-LJQANCHMSA-N 1 2 363.396 2.327 20 30 FEEDLO C[C@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1c(F)cncc1F ZINC000513275141 561931962 /nfs/dbraw/zinc/93/19/62/561931962.db2.gz BBKMFTOYPCHFMY-NSHDSACASA-N 1 2 351.378 2.356 20 30 FEEDLO Cn1c[nH+]cc1CNC(=O)C1CCN(c2c(F)cc(C#N)cc2F)CC1 ZINC000365684249 555640446 /nfs/dbraw/zinc/64/04/46/555640446.db2.gz GWGBSKWSMFFQPD-UHFFFAOYSA-N 1 2 359.380 2.103 20 30 FEEDLO C[C@@H](C(=O)NCCc1cccs1)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000513816143 561951244 /nfs/dbraw/zinc/95/12/44/561951244.db2.gz IUIQOBAVAHBJNR-INIZCTEOSA-N 1 2 368.506 2.489 20 30 FEEDLO N#C[C@@H]1N(C(=O)c2ccnc(-n3cc[nH+]c3)c2)CCC[C@@]12CCCCO2 ZINC000366186507 555775092 /nfs/dbraw/zinc/77/50/92/555775092.db2.gz OLBFQOXLNMNJFF-LPHOPBHVSA-N 1 2 351.410 2.335 20 30 FEEDLO Cn1c[nH+]cc1CCC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000366364895 555822802 /nfs/dbraw/zinc/82/28/02/555822802.db2.gz AOTJQLIPXJNJMV-OAHLLOKOSA-N 1 2 355.417 2.149 20 30 FEEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1C[C@@H](C)O[C@@]2(CCO[C@H](C)C2)C1 ZINC000366794437 555935496 /nfs/dbraw/zinc/93/54/96/555935496.db2.gz VPDLCDSXVIXUQO-WOCWXWTJSA-N 1 2 363.502 2.376 20 30 FEEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1C[C@@H](C)O[C@@]2(CCO[C@H](C)C2)C1 ZINC000366794437 555935499 /nfs/dbraw/zinc/93/54/99/555935499.db2.gz VPDLCDSXVIXUQO-WOCWXWTJSA-N 1 2 363.502 2.376 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N2CCC[C@@H]2c2cccc(OC)c2)C1=O ZINC000366910396 555965943 /nfs/dbraw/zinc/96/59/43/555965943.db2.gz HUDFDALKKIMFSG-MOPGFXCFSA-N 1 2 371.481 2.077 20 30 FEEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N2CCC[C@@H]2c2cccc(OC)c2)C1=O ZINC000366910396 555965945 /nfs/dbraw/zinc/96/59/45/555965945.db2.gz HUDFDALKKIMFSG-MOPGFXCFSA-N 1 2 371.481 2.077 20 30 FEEDLO CCOC(=O)C1(O)CC[NH+](Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000514636859 561971070 /nfs/dbraw/zinc/97/10/70/561971070.db2.gz KLERQSQNPACFDP-UHFFFAOYSA-N 1 2 356.344 2.467 20 30 FEEDLO C#Cc1ccc(C[NH+]2CCC(n3[nH]cc(C(=O)OCC)c3=N)CC2)cc1 ZINC000367371953 556030999 /nfs/dbraw/zinc/03/09/99/556030999.db2.gz RCQDZJKMHQTORU-UHFFFAOYSA-N 1 2 352.438 2.291 20 30 FEEDLO Cn1cc[nH+]c1[C@H](NS(=O)(=O)c1ccc(C#N)o1)c1cccc(F)c1 ZINC000367807334 556143849 /nfs/dbraw/zinc/14/38/49/556143849.db2.gz STIRYIZDBCSGQG-OAHLLOKOSA-N 1 2 360.370 2.092 20 30 FEEDLO Cc1nc(CO[C@@H]2CC[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C2)cs1 ZINC000369011513 556475808 /nfs/dbraw/zinc/47/58/08/556475808.db2.gz RUSRJIVPCQFCMQ-WBVHZDCISA-N 1 2 350.488 2.097 20 30 FEEDLO Cc1nc(CO[C@@H]2CC[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C2)cs1 ZINC000369011513 556475810 /nfs/dbraw/zinc/47/58/10/556475810.db2.gz RUSRJIVPCQFCMQ-WBVHZDCISA-N 1 2 350.488 2.097 20 30 FEEDLO C[C@@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000515958763 562026260 /nfs/dbraw/zinc/02/62/60/562026260.db2.gz HLCIBGDGHDXHDV-BBWFWOEESA-N 1 2 355.486 2.253 20 30 FEEDLO CC(=O)c1cccc(NC(=O)[C@H](C)[NH+]2CCC(n3cnc(C#N)n3)CC2)c1 ZINC000369312149 556571646 /nfs/dbraw/zinc/57/16/46/556571646.db2.gz LFAXCNWVGYFPCF-ZDUSSCGKSA-N 1 2 366.425 2.016 20 30 FEEDLO CC[C@H]1C[N@H+](CC(=O)N(C)C2(C#N)CCCCC2)C[C@@]2(CCCOC2)O1 ZINC000369537548 556624225 /nfs/dbraw/zinc/62/42/25/556624225.db2.gz RSKJISJXHBPGKN-FXAWDEMLSA-N 1 2 363.502 2.331 20 30 FEEDLO CC[C@H]1C[N@@H+](CC(=O)N(C)C2(C#N)CCCCC2)C[C@@]2(CCCOC2)O1 ZINC000369537548 556624227 /nfs/dbraw/zinc/62/42/27/556624227.db2.gz RSKJISJXHBPGKN-FXAWDEMLSA-N 1 2 363.502 2.331 20 30 FEEDLO C[C@H](C(=O)Nc1cc(F)ccc1F)[NH+]1CCC(n2cnc(C#N)n2)CC1 ZINC000369729568 556679552 /nfs/dbraw/zinc/67/95/52/556679552.db2.gz LUNHKJODRTUFFA-LLVKDONJSA-N 1 2 360.368 2.092 20 30 FEEDLO N#Cc1ccc(NC(=O)C(=O)NCc2ccccc2-n2cc[nH+]c2)cc1F ZINC000516607175 562050340 /nfs/dbraw/zinc/05/03/40/562050340.db2.gz DAHUMTUKWMWSGV-UHFFFAOYSA-N 1 2 363.352 2.138 20 30 FEEDLO Cc1cc(N2CCC(NC(=O)[C@H](C)Oc3ccc(C#N)cc3)CC2)nc[nH+]1 ZINC000370273464 556827049 /nfs/dbraw/zinc/82/70/49/556827049.db2.gz WPLRFMAQKNVYCO-HNNXBMFYSA-N 1 2 365.437 2.209 20 30 FEEDLO Cc1[nH+]c2ccccn2c1[C@H]1C(=O)NCCN1Cc1cc(F)ccc1C#N ZINC000370408252 556864104 /nfs/dbraw/zinc/86/41/04/556864104.db2.gz ZBQVWCMPGHPCPW-IBGZPJMESA-N 1 2 363.396 2.327 20 30 FEEDLO C[C@H](CS(C)(=O)=O)[N@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)C1CC1 ZINC000371526685 557209745 /nfs/dbraw/zinc/20/97/45/557209745.db2.gz SFSUDXBQZYMLTG-CQSZACIVSA-N 1 2 372.494 2.356 20 30 FEEDLO C[C@H](CS(C)(=O)=O)[N@@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)C1CC1 ZINC000371526685 557209748 /nfs/dbraw/zinc/20/97/48/557209748.db2.gz SFSUDXBQZYMLTG-CQSZACIVSA-N 1 2 372.494 2.356 20 30 FEEDLO CC(C)c1nc2n(n1)CCC[C@H]2[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000518964741 562122072 /nfs/dbraw/zinc/12/20/72/562122072.db2.gz DAZXNOZPRMZXPE-MRXNPFEDSA-N 1 2 373.482 2.172 20 30 FEEDLO C=C[C@H](CC(=O)N1CC[NH+]([C@@H]2CCCCNC2=O)CC1)c1ccccc1 ZINC000372289490 557430745 /nfs/dbraw/zinc/43/07/45/557430745.db2.gz ZNUJXABBDGGJHN-IEBWSBKVSA-N 1 2 355.482 2.159 20 30 FEEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000372474831 557480282 /nfs/dbraw/zinc/48/02/82/557480282.db2.gz PVJSSIVFIIFBEW-HUUCEWRRSA-N 1 2 370.482 2.415 20 30 FEEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CC[C@@H](n2cncn2)C1 ZINC000372474831 557480283 /nfs/dbraw/zinc/48/02/83/557480283.db2.gz PVJSSIVFIIFBEW-HUUCEWRRSA-N 1 2 370.482 2.415 20 30 FEEDLO C[C@@H](NC[C@H](O)C[N@H+](C)CCC#N)c1noc(-c2ccc(Cl)cc2)n1 ZINC000519769695 562143326 /nfs/dbraw/zinc/14/33/26/562143326.db2.gz QBSNMMGTKYHRAJ-DOMZBBRYSA-N 1 2 363.849 2.247 20 30 FEEDLO C[C@@H](NC[C@H](O)C[N@@H+](C)CCC#N)c1noc(-c2ccc(Cl)cc2)n1 ZINC000519769695 562143327 /nfs/dbraw/zinc/14/33/27/562143327.db2.gz QBSNMMGTKYHRAJ-DOMZBBRYSA-N 1 2 363.849 2.247 20 30 FEEDLO C[C@@H]([NH2+]C[C@H](O)CN(C)CCC#N)c1noc(-c2ccc(Cl)cc2)n1 ZINC000519769695 562143328 /nfs/dbraw/zinc/14/33/28/562143328.db2.gz QBSNMMGTKYHRAJ-DOMZBBRYSA-N 1 2 363.849 2.247 20 30 FEEDLO Cc1ccc(C#N)cc1S(=O)(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000373201815 557649168 /nfs/dbraw/zinc/64/91/68/557649168.db2.gz GFCCFYJUTDPIIE-UHFFFAOYSA-N 1 2 359.455 2.131 20 30 FEEDLO C[NH+]1CCC(C#N)(NC(=O)CCC(=O)CCC(=O)c2cccs2)CC1 ZINC000520246460 562151598 /nfs/dbraw/zinc/15/15/98/562151598.db2.gz LVRYLIYOMHOKRA-UHFFFAOYSA-N 1 2 361.467 2.164 20 30 FEEDLO COc1cc(OC)c(OC)cc1C[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000520316944 562153331 /nfs/dbraw/zinc/15/33/31/562153331.db2.gz UTGPUWRAAYXJCI-UHFFFAOYSA-N 1 2 368.437 2.301 20 30 FEEDLO C[C@@H]1C[N@H+](CC(=O)N(CCC#N)c2ccccc2)C[C@@]2(CCCOC2)O1 ZINC000373813500 557764777 /nfs/dbraw/zinc/76/47/77/557764777.db2.gz UHHKYGAXBQNLHX-YLJYHZDGSA-N 1 2 357.454 2.203 20 30 FEEDLO C[C@@H]1C[N@@H+](CC(=O)N(CCC#N)c2ccccc2)C[C@@]2(CCCOC2)O1 ZINC000373813500 557764779 /nfs/dbraw/zinc/76/47/79/557764779.db2.gz UHHKYGAXBQNLHX-YLJYHZDGSA-N 1 2 357.454 2.203 20 30 FEEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCOC[C@@H]1Cc1c[nH]c2ccccc12 ZINC000374147428 557831526 /nfs/dbraw/zinc/83/15/26/557831526.db2.gz VZUBZAFFGBQHCE-KRWDZBQOSA-N 1 2 354.454 2.173 20 30 FEEDLO CCN(CCC#N)C(=O)C[N@H+]1CCOC[C@@H]1Cc1c[nH]c2ccccc12 ZINC000374147428 557831527 /nfs/dbraw/zinc/83/15/27/557831527.db2.gz VZUBZAFFGBQHCE-KRWDZBQOSA-N 1 2 354.454 2.173 20 30 FEEDLO Cc1cccc2[nH+]c(CN3C[C@@H](C#N)[C@]4(C3)c3ccccc3NC4=O)cn21 ZINC000374355770 557870727 /nfs/dbraw/zinc/87/07/27/557870727.db2.gz ZNPCGICUQNJOHL-QVKFZJNVSA-N 1 2 357.417 2.488 20 30 FEEDLO C=CCOc1ccc(C(=O)N2CC[NH2+][C@@H](c3ccncc3)C2)cc1OC ZINC000374376103 557874322 /nfs/dbraw/zinc/87/43/22/557874322.db2.gz VMHNAYSLWSLXGK-QGZVFWFLSA-N 1 2 353.422 2.442 20 30 FEEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@H](CNC(=O)c2ccco2)C1 ZINC000374688662 557917063 /nfs/dbraw/zinc/91/70/63/557917063.db2.gz ZZNSAANPMWEREM-CYBMUJFWSA-N 1 2 372.450 2.293 20 30 FEEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@H](CNC(=O)c2ccco2)C1 ZINC000374688662 557917064 /nfs/dbraw/zinc/91/70/64/557917064.db2.gz ZZNSAANPMWEREM-CYBMUJFWSA-N 1 2 372.450 2.293 20 30 FEEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)C1=O ZINC000374880538 557945177 /nfs/dbraw/zinc/94/51/77/557945177.db2.gz VJERNYUNTCKJAP-LPHOPBHVSA-N 1 2 371.437 2.458 20 30 FEEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)C1=O ZINC000374880538 557945178 /nfs/dbraw/zinc/94/51/78/557945178.db2.gz VJERNYUNTCKJAP-LPHOPBHVSA-N 1 2 371.437 2.458 20 30 FEEDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)NCc2ccc(OCC#N)cc2)C1 ZINC000375518382 558042045 /nfs/dbraw/zinc/04/20/45/558042045.db2.gz CLTWHIGIKDCGCF-INIZCTEOSA-N 1 2 353.426 2.412 20 30 FEEDLO Cc1cc(N2CCC(NC(=O)[C@H](C#N)Cc3ccc(C#N)cc3)CC2)nc[nH+]1 ZINC000375669119 558064862 /nfs/dbraw/zinc/06/48/62/558064862.db2.gz NZZQJLCWNCATQK-SFHVURJKSA-N 1 2 374.448 2.124 20 30 FEEDLO C#CCCCCC(=O)N1CC[C@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000375977354 558108715 /nfs/dbraw/zinc/10/87/15/558108715.db2.gz XRUGCRSRWWGWES-KRWDZBQOSA-N 1 2 363.502 2.334 20 30 FEEDLO N#CC1(CS(=O)(=O)NCc2ccccc2Cn2cc[nH+]c2)CCCC1 ZINC000521942981 562186964 /nfs/dbraw/zinc/18/69/64/562186964.db2.gz IVQSKHTZYHJEDR-UHFFFAOYSA-N 1 2 358.467 2.435 20 30 FEEDLO C#CCCS(=O)(=O)N[C@H]1CC[N@@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000377296813 558309044 /nfs/dbraw/zinc/30/90/44/558309044.db2.gz OWAWHESBVVVIES-GOEBONIOSA-N 1 2 360.401 2.182 20 30 FEEDLO C#CCCS(=O)(=O)N[C@H]1CC[N@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000377296813 558309046 /nfs/dbraw/zinc/30/90/46/558309046.db2.gz OWAWHESBVVVIES-GOEBONIOSA-N 1 2 360.401 2.182 20 30 FEEDLO Cc1nc(NC(=O)c2ccc(-n3cc[nH+]c3)nn2)sc1SCC#N ZINC000522241051 562194929 /nfs/dbraw/zinc/19/49/29/562194929.db2.gz MYRSBFJJAPTGPS-UHFFFAOYSA-N 1 2 357.424 2.295 20 30 FEEDLO COC(=O)c1oc(C[N@@H+]2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)cc1C ZINC000378285800 558520309 /nfs/dbraw/zinc/52/03/09/558520309.db2.gz HTTJRBUTRQRFEI-XCLFUZPHSA-N 1 2 365.389 2.220 20 30 FEEDLO COC(=O)c1oc(C[N@H+]2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)cc1C ZINC000378285800 558520312 /nfs/dbraw/zinc/52/03/12/558520312.db2.gz HTTJRBUTRQRFEI-XCLFUZPHSA-N 1 2 365.389 2.220 20 30 FEEDLO C[C@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)c1cccc(Br)c1C#N ZINC000408115018 558647929 /nfs/dbraw/zinc/64/79/29/558647929.db2.gz JXWAAZIHBAQEIE-QWRGUYRKSA-N 1 2 372.288 2.034 20 30 FEEDLO C[C@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)c1cccc(Br)c1C#N ZINC000408115018 558647930 /nfs/dbraw/zinc/64/79/30/558647930.db2.gz JXWAAZIHBAQEIE-QWRGUYRKSA-N 1 2 372.288 2.034 20 30 FEEDLO C=CC[N@H+](Cc1cc(Br)ccc1F)[C@@H](C)C(=O)NC(N)=O ZINC000411229500 558856996 /nfs/dbraw/zinc/85/69/96/558856996.db2.gz XKZGVMOQNZPRTN-VIFPVBQESA-N 1 2 358.211 2.160 20 30 FEEDLO C=CC[N@@H+](Cc1cc(Br)ccc1F)[C@@H](C)C(=O)NC(N)=O ZINC000411229500 558856998 /nfs/dbraw/zinc/85/69/98/558856998.db2.gz XKZGVMOQNZPRTN-VIFPVBQESA-N 1 2 358.211 2.160 20 30 FEEDLO N#Cc1ccc(N2C(=O)C[C@H]([NH+]3CCC(C(F)(F)F)CC3)C2=O)cc1 ZINC000525688082 562252172 /nfs/dbraw/zinc/25/21/72/562252172.db2.gz TVMQVXXOWMYDGO-AWEZNQCLSA-N 1 2 351.328 2.464 20 30 FEEDLO C[N@H+](CCC#N)C[C@H](O)Cn1nc(-c2cccs2)c2ccccc2c1=O ZINC000414114735 559149705 /nfs/dbraw/zinc/14/97/05/559149705.db2.gz UBOHKGAGHUGSSB-AWEZNQCLSA-N 1 2 368.462 2.331 20 30 FEEDLO C[N@@H+](CCC#N)C[C@H](O)Cn1nc(-c2cccs2)c2ccccc2c1=O ZINC000414114735 559149706 /nfs/dbraw/zinc/14/97/06/559149706.db2.gz UBOHKGAGHUGSSB-AWEZNQCLSA-N 1 2 368.462 2.331 20 30 FEEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCCN(C(=O)CC2CCCC2)CC1 ZINC000527048836 562274686 /nfs/dbraw/zinc/27/46/86/562274686.db2.gz YQLFIGQHWKPMME-MRXNPFEDSA-N 1 2 360.502 2.052 20 30 FEEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCCN(C(=O)CC2CCCC2)CC1 ZINC000527048836 562274687 /nfs/dbraw/zinc/27/46/87/562274687.db2.gz YQLFIGQHWKPMME-MRXNPFEDSA-N 1 2 360.502 2.052 20 30 FEEDLO CCOc1cc(C#N)cc(Br)c1OCc1nc(C[NH2+]C)no1 ZINC000414644770 559176875 /nfs/dbraw/zinc/17/68/75/559176875.db2.gz OUXDKFLMAPZNJI-UHFFFAOYSA-N 1 2 367.203 2.401 20 30 FEEDLO CCCc1ccc([C@@H](C)[N@H+](CC(N)=O)CC(=O)NC2(C#N)CCC2)cc1 ZINC000527128627 562277346 /nfs/dbraw/zinc/27/73/46/562277346.db2.gz IMDBZNOGBJQDLE-OAHLLOKOSA-N 1 2 356.470 2.050 20 30 FEEDLO CCCc1ccc([C@@H](C)[N@@H+](CC(N)=O)CC(=O)NC2(C#N)CCC2)cc1 ZINC000527128627 562277347 /nfs/dbraw/zinc/27/73/47/562277347.db2.gz IMDBZNOGBJQDLE-OAHLLOKOSA-N 1 2 356.470 2.050 20 30 FEEDLO Cc1cc(C[NH+]2CCN(c3oc(-c4ccco4)nc3C#N)CC2)n(C)n1 ZINC000417721629 559374013 /nfs/dbraw/zinc/37/40/13/559374013.db2.gz UJNISQDSNJKMPR-UHFFFAOYSA-N 1 2 352.398 2.170 20 30 FEEDLO O=C(C[N@@H+]1CC[C@]12CCOC2)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000421012726 559519272 /nfs/dbraw/zinc/51/92/72/559519272.db2.gz FOOUCVDVEWRFAR-QGZVFWFLSA-N 1 2 352.356 2.038 20 30 FEEDLO O=C(C[N@H+]1CC[C@]12CCOC2)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000421012726 559519273 /nfs/dbraw/zinc/51/92/73/559519273.db2.gz FOOUCVDVEWRFAR-QGZVFWFLSA-N 1 2 352.356 2.038 20 30 FEEDLO Cc1ccc([C@@H](OC[C@H](O)C[NH+]2CC(O)(CC#N)C2)c2ccccc2)cc1 ZINC000424129308 559655623 /nfs/dbraw/zinc/65/56/23/559655623.db2.gz CYBAOAFYOMIORS-RTWAWAEBSA-N 1 2 366.461 2.422 20 30 FEEDLO C=CCn1cc(C[NH2+]Cc2cc(Br)c3c(c2)OCCO3)nn1 ZINC000424166858 559656511 /nfs/dbraw/zinc/65/65/11/559656511.db2.gz BPJNOCFEBMBVLX-UHFFFAOYSA-N 1 2 365.231 2.288 20 30 FEEDLO C=CCCn1cc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)nn1 ZINC000424750873 559675563 /nfs/dbraw/zinc/67/55/63/559675563.db2.gz TYVRPQFAZSJGIC-DOTOQJQBSA-N 1 2 361.396 2.308 20 30 FEEDLO C=CCCn1cc(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)nn1 ZINC000424750873 559675564 /nfs/dbraw/zinc/67/55/64/559675564.db2.gz TYVRPQFAZSJGIC-DOTOQJQBSA-N 1 2 361.396 2.308 20 30 FEEDLO C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000425084346 559686626 /nfs/dbraw/zinc/68/66/26/559686626.db2.gz JPMZVPWZQKMGKO-IUODEOHRSA-N 1 2 355.360 2.277 20 30 FEEDLO C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000425084346 559686627 /nfs/dbraw/zinc/68/66/27/559686627.db2.gz JPMZVPWZQKMGKO-IUODEOHRSA-N 1 2 355.360 2.277 20 30 FEEDLO Cc1cc(NC[C@H](O)COc2ccccc2Br)c(C#N)c[nH+]1 ZINC000425234215 559692579 /nfs/dbraw/zinc/69/25/79/559692579.db2.gz HFAYDPWPAADMSL-ZDUSSCGKSA-N 1 2 362.227 2.298 20 30 FEEDLO COC(=O)c1cnc([C@H](C)[NH2+][C@H](C)C(=O)Nc2cccc(C#N)c2)s1 ZINC000425484516 559704945 /nfs/dbraw/zinc/70/49/45/559704945.db2.gz JCAMOOGNJGOCSX-MNOVXSKESA-N 1 2 358.423 2.479 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(OC)cc1 ZINC000425594670 559711165 /nfs/dbraw/zinc/71/11/65/559711165.db2.gz YYMDEKOFQJSGOT-RYQLBKOJSA-N 1 2 370.453 2.408 20 30 FEEDLO CC[C@H](C(=O)N(C)CCOCc1ccc(C#N)cc1)[N@@H+]1CCO[C@H](CC)C1 ZINC000426040787 559728265 /nfs/dbraw/zinc/72/82/65/559728265.db2.gz XQZLRNPVEVTKBX-WOJBJXKFSA-N 1 2 373.497 2.423 20 30 FEEDLO CC[C@H](C(=O)N(C)CCOCc1ccc(C#N)cc1)[N@H+]1CCO[C@H](CC)C1 ZINC000426040787 559728266 /nfs/dbraw/zinc/72/82/66/559728266.db2.gz XQZLRNPVEVTKBX-WOJBJXKFSA-N 1 2 373.497 2.423 20 30 FEEDLO C=CC[C@@H](CO)CNC(=O)C(=O)Nc1ccc(Oc2cc[nH+]cc2)c(C)c1 ZINC000427289903 559752262 /nfs/dbraw/zinc/75/22/62/559752262.db2.gz SCPMVGIIEPTJFE-OAHLLOKOSA-N 1 2 369.421 2.422 20 30 FEEDLO C=CCCCS(=O)(=O)Nc1cccc(C[NH+]2CCN(C(C)=O)CC2)c1 ZINC000427759159 559761762 /nfs/dbraw/zinc/76/17/62/559761762.db2.gz LXVYFCJUMOQITR-UHFFFAOYSA-N 1 2 365.499 2.059 20 30 FEEDLO CC[C@@H]1C[N@H+](CCNC(=O)c2cc(C3CC3)nc(SC)c2C#N)CCO1 ZINC000428051299 559768681 /nfs/dbraw/zinc/76/86/81/559768681.db2.gz CJRWIAJNXDWNRT-CQSZACIVSA-N 1 2 374.510 2.393 20 30 FEEDLO CC[C@@H]1C[N@@H+](CCNC(=O)c2cc(C3CC3)nc(SC)c2C#N)CCO1 ZINC000428051299 559768682 /nfs/dbraw/zinc/76/86/82/559768682.db2.gz CJRWIAJNXDWNRT-CQSZACIVSA-N 1 2 374.510 2.393 20 30 FEEDLO N#Cc1c(F)cccc1CN1CC[NH+](CC(=O)N2CCCCCC2)CC1 ZINC000428457451 559775909 /nfs/dbraw/zinc/77/59/09/559775909.db2.gz AXTKURLSKQMYEJ-UHFFFAOYSA-N 1 2 358.461 2.218 20 30 FEEDLO N#Cc1ccc([C@H]([NH2+][C@H](CO)c2ccc(Br)cc2)C(N)=O)cc1 ZINC000428811946 559783846 /nfs/dbraw/zinc/78/38/46/559783846.db2.gz XEIGPWNITARZMO-CVEARBPZSA-N 1 2 374.238 2.170 20 30 FEEDLO C[C@@H](c1ccccc1)[C@@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)C(N)=O ZINC000428855339 559784922 /nfs/dbraw/zinc/78/49/22/559784922.db2.gz DCOVHKSCQAIZSV-SCLBCKFNSA-N 1 2 361.405 2.355 20 30 FEEDLO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000430221141 559815584 /nfs/dbraw/zinc/81/55/84/559815584.db2.gz CWENBSHWVACVJU-UHFFFAOYSA-N 1 2 353.382 2.192 20 30 FEEDLO COc1ccc(OC)c(C[NH+]2CCN(C(=O)NCC3(CC#N)CC3)CC2)c1 ZINC000431049180 559833130 /nfs/dbraw/zinc/83/31/30/559833130.db2.gz NCPWOWNDFMJCSN-UHFFFAOYSA-N 1 2 372.469 2.225 20 30 FEEDLO C[N@H+](CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)CC(C)(C)C#N ZINC000433313258 559876658 /nfs/dbraw/zinc/87/66/58/559876658.db2.gz UREWQXFGXQVRLZ-SFHVURJKSA-N 1 2 371.460 2.016 20 30 FEEDLO C[N@@H+](CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)CC(C)(C)C#N ZINC000433313258 559876659 /nfs/dbraw/zinc/87/66/59/559876659.db2.gz UREWQXFGXQVRLZ-SFHVURJKSA-N 1 2 371.460 2.016 20 30 FEEDLO CN(CC[N@@H+]1CCOC(C)(C)C1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000434699214 559906468 /nfs/dbraw/zinc/90/64/68/559906468.db2.gz ZSQVLVMHLLZTEF-LJQANCHMSA-N 1 2 370.497 2.096 20 30 FEEDLO CN(CC[N@H+]1CCOC(C)(C)C1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000434699214 559906469 /nfs/dbraw/zinc/90/64/69/559906469.db2.gz ZSQVLVMHLLZTEF-LJQANCHMSA-N 1 2 370.497 2.096 20 30 FEEDLO COCCC[N@H+](Cc1ccc(C#N)cc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000439436459 559993860 /nfs/dbraw/zinc/99/38/60/559993860.db2.gz GKLUFICHAOOWCA-OAHLLOKOSA-N 1 2 356.875 2.237 20 30 FEEDLO COCCC[N@@H+](Cc1ccc(C#N)cc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000439436459 559993861 /nfs/dbraw/zinc/99/38/61/559993861.db2.gz GKLUFICHAOOWCA-OAHLLOKOSA-N 1 2 356.875 2.237 20 30 FEEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](S(=O)(=O)N3CCCC3)C2)c(Cl)c1 ZINC000439436802 559993984 /nfs/dbraw/zinc/99/39/84/559993984.db2.gz IGJXQMLJGBTARH-HNNXBMFYSA-N 1 2 353.875 2.212 20 30 FEEDLO N#Cc1ccc(C[N@H+]2CC[C@H](S(=O)(=O)N3CCCC3)C2)c(Cl)c1 ZINC000439436802 559993985 /nfs/dbraw/zinc/99/39/85/559993985.db2.gz IGJXQMLJGBTARH-HNNXBMFYSA-N 1 2 353.875 2.212 20 30 FEEDLO CC(C)Cn1cc[nH+]c1CNS(=O)(=O)Cc1ccc(C#N)cc1F ZINC000440052325 560003841 /nfs/dbraw/zinc/00/38/41/560003841.db2.gz OVWHVTNXWGQCBZ-UHFFFAOYSA-N 1 2 350.419 2.169 20 30 FEEDLO C[NH+](C)[C@H](CNS(=O)(=O)Cc1ccc(C#N)cc1F)c1ccco1 ZINC000440058047 560003928 /nfs/dbraw/zinc/00/39/28/560003928.db2.gz BJNOMLFMULEQQW-OAHLLOKOSA-N 1 2 351.403 2.013 20 30 FEEDLO C=CC[N@@H+](CCC(=O)Nc1cccc(F)c1C)[C@@H]1CCS(=O)(=O)C1 ZINC000440295982 560008258 /nfs/dbraw/zinc/00/82/58/560008258.db2.gz KJXGVQQPXYXPKH-CQSZACIVSA-N 1 2 354.447 2.138 20 30 FEEDLO C=CC[N@H+](CCC(=O)Nc1cccc(F)c1C)[C@@H]1CCS(=O)(=O)C1 ZINC000440295982 560008259 /nfs/dbraw/zinc/00/82/59/560008259.db2.gz KJXGVQQPXYXPKH-CQSZACIVSA-N 1 2 354.447 2.138 20 30 FEEDLO CC[N@H+](CC(=O)Nc1ccccc1SC[C@H](C)C#N)[C@@H]1CCNC1=O ZINC000440964300 560020501 /nfs/dbraw/zinc/02/05/01/560020501.db2.gz FJHWOSLSYBVCPX-UKRRQHHQSA-N 1 2 360.483 2.087 20 30 FEEDLO CC[N@@H+](CC(=O)Nc1ccccc1SC[C@H](C)C#N)[C@@H]1CCNC1=O ZINC000440964300 560020502 /nfs/dbraw/zinc/02/05/02/560020502.db2.gz FJHWOSLSYBVCPX-UKRRQHHQSA-N 1 2 360.483 2.087 20 30 FEEDLO CC(C)(C)OC(=O)C[NH2+][C@]1(C)CCN(C(=O)Nc2cccc(C#N)c2)C1 ZINC000441265669 560027499 /nfs/dbraw/zinc/02/74/99/560027499.db2.gz MKLYHXOVFWAXCM-LJQANCHMSA-N 1 2 358.442 2.486 20 30 FEEDLO N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NCCNc1cccc[nH+]1 ZINC000443510007 560085896 /nfs/dbraw/zinc/08/58/96/560085896.db2.gz MHRNKRIHVCDXCI-UHFFFAOYSA-N 1 2 370.356 2.362 20 30 FEEDLO C=CCNC(=O)CN1CC[NH+](CCCc2c(F)cccc2Cl)CC1 ZINC000447796303 560169299 /nfs/dbraw/zinc/16/92/99/560169299.db2.gz UPGKXMRXVREKQA-UHFFFAOYSA-N 1 2 353.869 2.332 20 30 FEEDLO C=CCNC(=O)C[NH+]1CCN(CCCc2c(F)cccc2Cl)CC1 ZINC000447796303 560169300 /nfs/dbraw/zinc/16/93/00/560169300.db2.gz UPGKXMRXVREKQA-UHFFFAOYSA-N 1 2 353.869 2.332 20 30 FEEDLO N#Cc1ccnc(N2CC[NH+](Cc3ccc(Br)cc3)CC2)n1 ZINC000450397392 560261183 /nfs/dbraw/zinc/26/11/83/560261183.db2.gz XRZVCTWUKZFZCD-UHFFFAOYSA-N 1 2 358.243 2.433 20 30 FEEDLO CN(C)c1[nH+]cccc1O[C@@H]1CCN(c2nc3c(cc2C#N)COCC3)C1 ZINC000450503342 560264257 /nfs/dbraw/zinc/26/42/57/560264257.db2.gz VGZLUFTTZRJONI-MRXNPFEDSA-N 1 2 365.437 2.145 20 30 FEEDLO N#CCc1ccc(S(=O)(=O)N2CC[N@@H+]3CCCC[C@H]3C2)c(Cl)c1 ZINC000451055468 560284980 /nfs/dbraw/zinc/28/49/80/560284980.db2.gz DJSOXFJQXREBBR-AWEZNQCLSA-N 1 2 353.875 2.265 20 30 FEEDLO N#CCc1ccc(S(=O)(=O)N2CC[N@H+]3CCCC[C@H]3C2)c(Cl)c1 ZINC000451055468 560284981 /nfs/dbraw/zinc/28/49/81/560284981.db2.gz DJSOXFJQXREBBR-AWEZNQCLSA-N 1 2 353.875 2.265 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000451254246 560296159 /nfs/dbraw/zinc/29/61/59/560296159.db2.gz BHENMUWHJSFVCN-QOJCHSLYSA-N 1 2 361.461 2.229 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000451254246 560296160 /nfs/dbraw/zinc/29/61/60/560296160.db2.gz BHENMUWHJSFVCN-QOJCHSLYSA-N 1 2 361.461 2.229 20 30 FEEDLO N#Cc1ccc(NC(=O)C[N@@H+]2C[C@H](c3ccccc3)[C@](F)(CO)C2)cc1 ZINC000451257583 560296380 /nfs/dbraw/zinc/29/63/80/560296380.db2.gz GLDGSNXNFWWRRV-UYAOXDASSA-N 1 2 353.397 2.297 20 30 FEEDLO N#Cc1ccc(NC(=O)C[N@H+]2C[C@H](c3ccccc3)[C@](F)(CO)C2)cc1 ZINC000451257583 560296381 /nfs/dbraw/zinc/29/63/81/560296381.db2.gz GLDGSNXNFWWRRV-UYAOXDASSA-N 1 2 353.397 2.297 20 30 FEEDLO N#Cc1cccc(NC(=O)C[N@@H+]2C[C@@H](c3ccccc3)[C@](F)(CO)C2)c1 ZINC000451256220 560296404 /nfs/dbraw/zinc/29/64/04/560296404.db2.gz DWBNZTDNGMEFCP-AZUAARDMSA-N 1 2 353.397 2.297 20 30 FEEDLO N#Cc1cccc(NC(=O)C[N@H+]2C[C@@H](c3ccccc3)[C@](F)(CO)C2)c1 ZINC000451256220 560296405 /nfs/dbraw/zinc/29/64/05/560296405.db2.gz DWBNZTDNGMEFCP-AZUAARDMSA-N 1 2 353.397 2.297 20 30 FEEDLO N#CCc1cccc(NC(=O)C(=O)N2CC[NH+](Cc3cccs3)CC2)c1 ZINC000453585937 560389871 /nfs/dbraw/zinc/38/98/71/560389871.db2.gz HWTQDYAXKGSWTK-UHFFFAOYSA-N 1 2 368.462 2.097 20 30 FEEDLO N#CCc1ccc(NC(=O)C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)c(Cl)c1 ZINC000453665575 560394761 /nfs/dbraw/zinc/39/47/61/560394761.db2.gz HOHRMUWGYRWTOL-UHFFFAOYSA-N 1 2 371.828 2.474 20 30 FEEDLO N#CCc1ccc(NC(=O)C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)c(Cl)c1 ZINC000453665575 560394762 /nfs/dbraw/zinc/39/47/62/560394762.db2.gz HOHRMUWGYRWTOL-UHFFFAOYSA-N 1 2 371.828 2.474 20 30 FEEDLO CCn1cc[nH+]c1CNC(=O)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 ZINC000453858421 560408678 /nfs/dbraw/zinc/40/86/78/560408678.db2.gz SLECKJWHTACZSS-UHFFFAOYSA-N 1 2 369.425 2.207 20 30 FEEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)C(=O)Nc1ccc(OC(C)C)c(C#N)c1 ZINC000453981124 560419102 /nfs/dbraw/zinc/41/91/02/560419102.db2.gz SEAHJLVJSSWJHS-ZDUSSCGKSA-N 1 2 369.425 2.378 20 30 FEEDLO C=CCNC(=O)NC1CC[NH+]([C@@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000455402840 560480926 /nfs/dbraw/zinc/48/09/26/560480926.db2.gz ITCRTJNQTAZFBB-AWEZNQCLSA-N 1 2 365.499 2.101 20 30 FEEDLO C=CCN1C(=O)c2ccc(C(=O)N[C@@H](C)c3[nH+]ccn3CC)cc2C1=O ZINC000456391197 560518796 /nfs/dbraw/zinc/51/87/96/560518796.db2.gz PLOQZBKPOBNLTH-LBPRGKRZSA-N 1 2 352.394 2.176 20 30 FEEDLO Cc1cc(C)c(CNC(=O)[C@H]2CCC(=O)N2Cc2cccc(C#N)c2)c[nH+]1 ZINC000456840359 560534185 /nfs/dbraw/zinc/53/41/85/560534185.db2.gz OAIHJFJRRATFJJ-LJQANCHMSA-N 1 2 362.433 2.378 20 30 FEEDLO C=C(C)[C@H](CC(=O)N(CC[NH+]1CCOCC1)Cc1ccco1)OCC ZINC000456982871 560542204 /nfs/dbraw/zinc/54/22/04/560542204.db2.gz GWCFCQJJZTWMKU-SFHVURJKSA-N 1 2 350.459 2.312 20 30 FEEDLO N#CC1CCC(CNC(=O)N(CC[NH+]2CCOCC2)Cc2ccco2)CC1 ZINC000458717681 560643379 /nfs/dbraw/zinc/64/33/79/560643379.db2.gz AQHZZNODTWVBPF-UHFFFAOYSA-N 1 2 374.485 2.453 20 30 FEEDLO C=CCC(C)(C)CNC(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1 ZINC000458809975 560649541 /nfs/dbraw/zinc/64/95/41/560649541.db2.gz LHNADFIOSWFVCH-HOTGVXAUSA-N 1 2 351.470 2.234 20 30 FEEDLO C=CCC(C)(C)CNC(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1 ZINC000458809975 560649540 /nfs/dbraw/zinc/64/95/40/560649540.db2.gz LHNADFIOSWFVCH-HOTGVXAUSA-N 1 2 351.470 2.234 20 30 FEEDLO C=CCC1(CNC(=O)N2CC[C@H]([N@H+](C)Cc3nccc(N)n3)C2)CCCC1 ZINC000459045244 560663664 /nfs/dbraw/zinc/66/36/64/560663664.db2.gz AMVTWCJLSAIJEU-INIZCTEOSA-N 1 2 372.517 2.411 20 30 FEEDLO C=CCC1(CNC(=O)N2CC[C@H]([N@@H+](C)Cc3nccc(N)n3)C2)CCCC1 ZINC000459045244 560663666 /nfs/dbraw/zinc/66/36/66/560663666.db2.gz AMVTWCJLSAIJEU-INIZCTEOSA-N 1 2 372.517 2.411 20 30 FEEDLO COc1ccc(OC)c(C[NH+]2CCN(C(=O)NCC(C)(C)CC#N)CC2)c1 ZINC000459261593 560676609 /nfs/dbraw/zinc/67/66/09/560676609.db2.gz SAFQWDFJIRCWFO-UHFFFAOYSA-N 1 2 374.485 2.471 20 30 FEEDLO Cc1nsc(N2CCC[N@H+](Cc3c(C#N)cccc3[N+](=O)[O-])CC2)n1 ZINC000459366976 560682599 /nfs/dbraw/zinc/68/25/99/560682599.db2.gz YVMVHFADRUVMOZ-UHFFFAOYSA-N 1 2 358.427 2.339 20 30 FEEDLO Cc1nsc(N2CCC[N@@H+](Cc3c(C#N)cccc3[N+](=O)[O-])CC2)n1 ZINC000459366976 560682600 /nfs/dbraw/zinc/68/26/00/560682600.db2.gz YVMVHFADRUVMOZ-UHFFFAOYSA-N 1 2 358.427 2.339 20 30 FEEDLO CC(C)(C)OC(=O)C[NH2+][C@@]1(C)CCN(Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000459441601 560686468 /nfs/dbraw/zinc/68/64/68/560686468.db2.gz YVWIWWHWFXKSJB-IBGZPJMESA-N 1 2 374.441 2.362 20 30 FEEDLO CCCN(CC(=O)Nc1ccccc1OC)C(=O)C[NH2+][C@H]1CCC[C@H]1C#N ZINC000459477001 560688629 /nfs/dbraw/zinc/68/86/29/560688629.db2.gz YDWNMRDBWJRJLB-HOTGVXAUSA-N 1 2 372.469 2.154 20 30 FEEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C)[C@]1(CO)CCOC1 ZINC000461389501 560769253 /nfs/dbraw/zinc/76/92/53/560769253.db2.gz VFUSNHPEZXJDLU-KDOFPFPSSA-N 1 2 363.483 2.103 20 30 FEEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C)[C@]1(CO)CCOC1 ZINC000461389501 560769254 /nfs/dbraw/zinc/76/92/54/560769254.db2.gz VFUSNHPEZXJDLU-KDOFPFPSSA-N 1 2 363.483 2.103 20 30 FEEDLO COc1ccc(OC)c(C[NH+]2CCN(C(=O)N[C@H]3CCC[C@H]3C#N)CC2)c1 ZINC000461956423 560789637 /nfs/dbraw/zinc/78/96/37/560789637.db2.gz NNMWORRBLLPWRR-YJBOKZPZSA-N 1 2 372.469 2.223 20 30 FEEDLO C[C@@H]1CN(c2ccc(CNC(=O)N[C@@H]3CCC[C@H]3C#N)c[nH+]2)C[C@H](C)O1 ZINC000461961852 560789785 /nfs/dbraw/zinc/78/97/85/560789785.db2.gz VYMQHWOADBOLQF-HDEZJCGLSA-N 1 2 357.458 2.187 20 30 FEEDLO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000464514216 560844153 /nfs/dbraw/zinc/84/41/53/560844153.db2.gz GCYPIQUYCGJTGZ-QFBILLFUSA-N 1 2 359.470 2.141 20 30 FEEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCN(C(=O)Cc2cccc(Cl)c2)[C@@H](C)C1 ZINC000464762890 560850302 /nfs/dbraw/zinc/85/03/02/560850302.db2.gz YLGXBVPEIQYMOF-LSDHHAIUSA-N 1 2 363.889 2.106 20 30 FEEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCN(C(=O)Cc2cccc(Cl)c2)[C@@H](C)C1 ZINC000464762890 560850303 /nfs/dbraw/zinc/85/03/03/560850303.db2.gz YLGXBVPEIQYMOF-LSDHHAIUSA-N 1 2 363.889 2.106 20 30 FEEDLO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000467285974 560907805 /nfs/dbraw/zinc/90/78/05/560907805.db2.gz NTSJTJAQXRFBTP-INMHGKMJSA-N 1 2 352.394 2.382 20 30 FEEDLO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000467285974 560907806 /nfs/dbraw/zinc/90/78/06/560907806.db2.gz NTSJTJAQXRFBTP-INMHGKMJSA-N 1 2 352.394 2.382 20 30 FEEDLO C=CC[N@@H+](CC(=O)Nc1cccc(C(=O)OC)n1)Cc1cccc(C#N)c1 ZINC000469609278 560959595 /nfs/dbraw/zinc/95/95/95/560959595.db2.gz OCTCVPAJGGSFTL-UHFFFAOYSA-N 1 2 364.405 2.367 20 30 FEEDLO C=CC[N@H+](CC(=O)Nc1cccc(C(=O)OC)n1)Cc1cccc(C#N)c1 ZINC000469609278 560959596 /nfs/dbraw/zinc/95/95/96/560959596.db2.gz OCTCVPAJGGSFTL-UHFFFAOYSA-N 1 2 364.405 2.367 20 30 FEEDLO Cc1nn(C)c(N2CC[NH+](C/C=C\c3ccccc3[N+](=O)[O-])CC2)c1C#N ZINC000471816835 561012257 /nfs/dbraw/zinc/01/22/57/561012257.db2.gz QLHFTXFALAKALA-ALCCZGGFSA-N 1 2 366.425 2.344 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)C[C@H](CC#N)c1ccccc1 ZINC000475460883 561097912 /nfs/dbraw/zinc/09/79/12/561097912.db2.gz QWNILBHGCGCWAZ-IBGZPJMESA-N 1 2 354.454 2.148 20 30 FEEDLO N#CC[C@H](CC(=O)N1CC[C@@H](OCC[NH+]2CCOCC2)C1)c1ccccc1 ZINC000476338767 561117013 /nfs/dbraw/zinc/11/70/13/561117013.db2.gz ZZEBGKKZMKFXOU-WOJBJXKFSA-N 1 2 371.481 2.024 20 30 FEEDLO N#Cc1ccccc1OC[C@@H](O)C[NH+]1CCN(CCc2ccccc2)CC1 ZINC000528338174 562323577 /nfs/dbraw/zinc/32/35/77/562323577.db2.gz GRDFFGBKGIEJBS-NRFANRHFSA-N 1 2 365.477 2.158 20 30 FEEDLO Cn1nccc1[C@@H]1CCCC[N@@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC000528488325 562331780 /nfs/dbraw/zinc/33/17/80/562331780.db2.gz BGJZMAMVCOPGRR-IBGZPJMESA-N 1 2 362.433 2.247 20 30 FEEDLO Cn1nccc1[C@@H]1CCCC[N@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC000528488325 562331781 /nfs/dbraw/zinc/33/17/81/562331781.db2.gz BGJZMAMVCOPGRR-IBGZPJMESA-N 1 2 362.433 2.247 20 30 FEEDLO CC1CC(C#N)(C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)C1 ZINC000531809038 562457434 /nfs/dbraw/zinc/45/74/34/562457434.db2.gz LKTXKYSAVIBPJH-UHFFFAOYSA-N 1 2 354.454 2.146 20 30 FEEDLO C[C@@H](C(=O)Nc1cc(CC#N)ccn1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000532180346 562470085 /nfs/dbraw/zinc/47/00/85/562470085.db2.gz RCLXCHIVLPPAKA-HNNXBMFYSA-N 1 2 367.428 2.436 20 30 FEEDLO Cn1cc(C[NH+]2CCN(C(=O)N[C@H](CCC#N)c3ccccc3)CC2)cn1 ZINC000533510632 562511180 /nfs/dbraw/zinc/51/11/80/562511180.db2.gz MMOAQMMRMNYESS-LJQANCHMSA-N 1 2 366.469 2.292 20 30 FEEDLO C=C(C)[C@H](CC(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1)OCC ZINC000535156837 562552257 /nfs/dbraw/zinc/55/22/57/562552257.db2.gz GCGQJAIBCVRZCE-PMACEKPBSA-N 1 2 360.498 2.417 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ccccc3-n3ccnn3)CC2)cc1 ZINC000541403441 562611152 /nfs/dbraw/zinc/61/11/52/562611152.db2.gz JBOOLVCIWNKIKB-UHFFFAOYSA-N 1 2 372.432 2.097 20 30 FEEDLO CC[N@H+](CC(=O)N1CCN(C2CC2)[C@H](C#N)C1)Cc1ccccc1Cl ZINC000806842123 674392226 /nfs/dbraw/zinc/39/22/26/674392226.db2.gz FKFUJORCZSDJEK-QGZVFWFLSA-N 1 2 360.889 2.361 20 30 FEEDLO CC[N@@H+](CC(=O)N1CCN(C2CC2)[C@H](C#N)C1)Cc1ccccc1Cl ZINC000806842123 674392228 /nfs/dbraw/zinc/39/22/28/674392228.db2.gz FKFUJORCZSDJEK-QGZVFWFLSA-N 1 2 360.889 2.361 20 30 FEEDLO CN(C(=O)c1ccc(NCC[NH+]2CCOCC2)c(F)c1)[C@H]1CCC[C@H]1C#N ZINC000601803905 567851103 /nfs/dbraw/zinc/85/11/03/567851103.db2.gz IMPXZXYQAMPYDC-LPHOPBHVSA-N 1 2 374.460 2.334 20 30 FEEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+](C)[C@@H]1CCCCN(C)C1=O ZINC000601968378 567889801 /nfs/dbraw/zinc/88/98/01/567889801.db2.gz FHZAKOAFFWFYEZ-CRAIPNDOSA-N 1 2 374.460 2.404 20 30 FEEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+](C)[C@@H]1CCCCN(C)C1=O ZINC000601968378 567889802 /nfs/dbraw/zinc/88/98/02/567889802.db2.gz FHZAKOAFFWFYEZ-CRAIPNDOSA-N 1 2 374.460 2.404 20 30 FEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC000602331911 567969268 /nfs/dbraw/zinc/96/92/68/567969268.db2.gz ICYRNABKEWSUMW-XPKDYRNWSA-N 1 2 355.360 2.129 20 30 FEEDLO C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602854614 568002091 /nfs/dbraw/zinc/00/20/91/568002091.db2.gz CGYZOHSKBSZIGY-IKNZEQNNSA-N 1 2 358.530 2.378 20 30 FEEDLO C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602854614 568002092 /nfs/dbraw/zinc/00/20/92/568002092.db2.gz CGYZOHSKBSZIGY-IKNZEQNNSA-N 1 2 358.530 2.378 20 30 FEEDLO CCOc1ccc(NC(=O)C[NH+]2C[C@H](C)N(CC#N)[C@@H](C)C2)cc1OCC ZINC000602854523 568002104 /nfs/dbraw/zinc/00/21/04/568002104.db2.gz BTAIOLBDEQXWGO-HOTGVXAUSA-N 1 2 374.485 2.341 20 30 FEEDLO C[C@H](C(=O)Nc1ccc(-c2c[nH]cn2)cc1)[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602855855 568002434 /nfs/dbraw/zinc/00/24/34/568002434.db2.gz XGQWKTGCGSPAFE-HRCADAONSA-N 1 2 366.469 2.322 20 30 FEEDLO CC(C)Oc1cccc(CNC(=O)C[NH+]2C[C@H](C)N(CC#N)[C@@H](C)C2)c1 ZINC000602858816 568003104 /nfs/dbraw/zinc/00/31/04/568003104.db2.gz BWXWZWWCEDGLFB-IRXDYDNUSA-N 1 2 358.486 2.008 20 30 FEEDLO C[C@H](C(=O)Nc1cccc2ncccc21)[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602866670 568008439 /nfs/dbraw/zinc/00/84/39/568008439.db2.gz WZDJDDXMKYWIES-BZUAXINKSA-N 1 2 351.454 2.480 20 30 FEEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+](C)Cc2c[nH]nc2C)cc1 ZINC000602938271 568021098 /nfs/dbraw/zinc/02/10/98/568021098.db2.gz OBSCRNCRZCBYLO-UHFFFAOYSA-N 1 2 355.442 2.496 20 30 FEEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+](C)Cc2c[nH]nc2C)cc1 ZINC000602938271 568021100 /nfs/dbraw/zinc/02/11/00/568021100.db2.gz OBSCRNCRZCBYLO-UHFFFAOYSA-N 1 2 355.442 2.496 20 30 FEEDLO C[C@H]1C[C@@H]1c1ccc(CCC(=O)N(CCC#N)CC[NH+]2CCOCC2)o1 ZINC000604538448 568309178 /nfs/dbraw/zinc/30/91/78/568309178.db2.gz NFQVNEADIBCPEK-WMZOPIPTSA-N 1 2 359.470 2.410 20 30 FEEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@@H](C)C(=O)N2CCc3sccc3C2)CC1 ZINC000609485177 568343606 /nfs/dbraw/zinc/34/36/06/568343606.db2.gz KUOYXCVXIUGSHD-RDJZCZTQSA-N 1 2 360.527 2.187 20 30 FEEDLO CC(C)[C@@H](C#N)N1CC[NH+]([C@H](C)C(=O)NC[C@@H](C)c2ccccc2)CC1 ZINC000609485780 568346174 /nfs/dbraw/zinc/34/61/74/568346174.db2.gz XJRAYBYXYISDRH-QWFCFKBJSA-N 1 2 356.514 2.461 20 30 FEEDLO CC(C)[C@@H](C#N)N1CC[NH+]([C@H](C)C(=O)N(C)Cc2cccc(F)c2)CC1 ZINC000609486385 568346333 /nfs/dbraw/zinc/34/63/33/568346333.db2.gz JHKXIPPVOPTJHJ-VQIMIIECSA-N 1 2 360.477 2.338 20 30 FEEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@H](C)C(=O)NCCc2ccc(F)cc2)CC1 ZINC000609487278 568346717 /nfs/dbraw/zinc/34/67/17/568346717.db2.gz ZXQWOFLPQPJKHQ-APWZRJJASA-N 1 2 360.477 2.039 20 30 FEEDLO C[C@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000569535708 568406485 /nfs/dbraw/zinc/40/64/85/568406485.db2.gz WASZXGQXDMLIGF-MTNOOBJLSA-N 1 2 369.513 2.405 20 30 FEEDLO Cc1c(C(=O)C=Cc2c[nH+]c3ccccn23)c(-c2nn[nH]n2)c2n1CCC2 ZINC000737204258 598936728 /nfs/dbraw/zinc/93/67/28/598936728.db2.gz YOUUQSVDTJJQPL-BQYQJAHWSA-N 1 2 359.393 2.467 20 30 FEEDLO Cc1cc(C(N)=[NH+]OCc2cn3ccccc3c2-c2nn[nH]n2)ccc1F ZINC000822190823 606177236 /nfs/dbraw/zinc/17/72/36/606177236.db2.gz BQGOCGFKACVLOO-UHFFFAOYSA-N 1 2 365.372 2.404 20 30 FEEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)C[C@H](C)[N@H+]1C ZINC000559147929 674530237 /nfs/dbraw/zinc/53/02/37/674530237.db2.gz LXOPODDFQRPCLW-PHIMTYICSA-N 1 2 361.389 2.290 20 30 FEEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)C[C@H](C)[N@@H+]1C ZINC000559147929 674530238 /nfs/dbraw/zinc/53/02/38/674530238.db2.gz LXOPODDFQRPCLW-PHIMTYICSA-N 1 2 361.389 2.290 20 30 FEEDLO C[C@@H]([NH2+]Cc1nc(C#N)cs1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000810131913 674534117 /nfs/dbraw/zinc/53/41/17/674534117.db2.gz RFQPYZSOFNDGAO-GFCCVEGCSA-N 1 2 362.480 2.405 20 30 FEEDLO C=CC[N@H+](Cc1cccc(-c2nn[nH]n2)c1)CN1C(=O)C(C)(C)C1(C)C ZINC000819745906 606433429 /nfs/dbraw/zinc/43/34/29/606433429.db2.gz UKCDLLAXNYWCKJ-UHFFFAOYSA-N 1 2 354.458 2.459 20 30 FEEDLO C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)CN1C(=O)C(C)(C)C1(C)C ZINC000819745906 606433431 /nfs/dbraw/zinc/43/34/31/606433431.db2.gz UKCDLLAXNYWCKJ-UHFFFAOYSA-N 1 2 354.458 2.459 20 30 FEEDLO N#Cc1cccc([C@@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)s3)CCO2)c1 ZINC000826386602 608854937 /nfs/dbraw/zinc/85/49/37/608854937.db2.gz LOVCOVFWHUOHBH-HNNXBMFYSA-N 1 2 352.423 2.373 20 30 FEEDLO N#Cc1cccc([C@@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)s3)CCO2)c1 ZINC000826386602 608854939 /nfs/dbraw/zinc/85/49/39/608854939.db2.gz LOVCOVFWHUOHBH-HNNXBMFYSA-N 1 2 352.423 2.373 20 30 FEEDLO C#C[C@@H](NC(=O)NCC[N@@H+]1CCO[C@H](C)C1)c1ccc(Cl)cc1F ZINC000812021745 674647530 /nfs/dbraw/zinc/64/75/30/674647530.db2.gz ZKNJAMAJHMDXFG-MLGOLLRUSA-N 1 2 353.825 2.173 20 30 FEEDLO C#C[C@@H](NC(=O)NCC[N@H+]1CCO[C@H](C)C1)c1ccc(Cl)cc1F ZINC000812021745 674647533 /nfs/dbraw/zinc/64/75/33/674647533.db2.gz ZKNJAMAJHMDXFG-MLGOLLRUSA-N 1 2 353.825 2.173 20 30 FEEDLO C=CCC(F)(F)C(=O)OCC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000815312847 674940641 /nfs/dbraw/zinc/94/06/41/674940641.db2.gz LESASPIHEXPEFI-UHFFFAOYSA-N 1 2 358.410 2.147 20 30 FEEDLO C#CCC[NH+]1CCN(C(=O)CSc2nc3ccccc3n2CC)CC1 ZINC000068444942 670471229 /nfs/dbraw/zinc/47/12/29/670471229.db2.gz URWJFOGWKAKKLP-UHFFFAOYSA-N 1 2 356.495 2.316 20 30 FEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN(Cc2ccc(Cl)nc2)CC1 ZINC000116308031 670904549 /nfs/dbraw/zinc/90/45/49/670904549.db2.gz XXBBLUITMAQHLH-MRXNPFEDSA-N 1 2 362.905 2.442 20 30 FEEDLO CCC[N@H+](CCS(=O)(=O)c1ccc(C#N)cn1)C[C@@H]1CCCCO1 ZINC000575112373 671298785 /nfs/dbraw/zinc/29/87/85/671298785.db2.gz NCTHYYPTXSOTBG-INIZCTEOSA-N 1 2 351.472 2.008 20 30 FEEDLO CCC[N@@H+](CCS(=O)(=O)c1ccc(C#N)cn1)C[C@@H]1CCCCO1 ZINC000575112373 671298786 /nfs/dbraw/zinc/29/87/86/671298786.db2.gz NCTHYYPTXSOTBG-INIZCTEOSA-N 1 2 351.472 2.008 20 30 FEEDLO C[C@H](C(=O)N(C)CCC#N)[NH+]1CCN(c2nccc3sccc32)CC1 ZINC000580915812 671845941 /nfs/dbraw/zinc/84/59/41/671845941.db2.gz DWIXPHBGUSPOQI-CQSZACIVSA-N 1 2 357.483 2.179 20 30 FEEDLO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(C[C@@H]2CSCCS2)CC1=O ZINC000154002974 672208315 /nfs/dbraw/zinc/20/83/15/672208315.db2.gz ZVYONHHXBRSXNE-GFCCVEGCSA-N 1 2 374.535 2.495 20 30 FEEDLO N#Cc1ccc(NC(=O)C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c(Cl)c1 ZINC000610870120 676002193 /nfs/dbraw/zinc/00/21/93/676002193.db2.gz ZVRMESHMKWYWBY-CYBMUJFWSA-N 1 2 357.801 2.210 20 30 FEEDLO C=CCSc1nc2ccccc2n1C[N@@H+]1CCO[C@@H](CNC(C)=O)C1 ZINC000172169931 672339693 /nfs/dbraw/zinc/33/96/93/672339693.db2.gz ASBOLBGFOKSABT-HNNXBMFYSA-N 1 2 360.483 2.109 20 30 FEEDLO C=CCSc1nc2ccccc2n1C[N@H+]1CCO[C@@H](CNC(C)=O)C1 ZINC000172169931 672339694 /nfs/dbraw/zinc/33/96/94/672339694.db2.gz ASBOLBGFOKSABT-HNNXBMFYSA-N 1 2 360.483 2.109 20 30 FEEDLO Cc1nc(SCC(=O)N[C@@H]2CCc3c[nH+]cn3C2)c(C#N)c(C)c1C ZINC000587062750 672440524 /nfs/dbraw/zinc/44/05/24/672440524.db2.gz ZDWRLXPZMDJSNP-CQSZACIVSA-N 1 2 355.467 2.298 20 30 FEEDLO Cn1cc[nH+]c1C[C@@H](NS(=O)(=O)CC1(C#N)CCC1)c1ccccc1 ZINC000589223604 672514610 /nfs/dbraw/zinc/51/46/10/672514610.db2.gz FJWLILJPCUCCFU-MRXNPFEDSA-N 1 2 358.467 2.317 20 30 FEEDLO Cc1cc(NS(=O)(=O)c2cccc(CC#N)c2)n(-c2cc[nH+]cc2)n1 ZINC000589585613 672532457 /nfs/dbraw/zinc/53/24/57/672532457.db2.gz GTUNMPHPLWGZAM-UHFFFAOYSA-N 1 2 353.407 2.443 20 30 FEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1 ZINC000186467427 672548840 /nfs/dbraw/zinc/54/88/40/672548840.db2.gz ZDNOOJRUBGWHJJ-CQSZACIVSA-N 1 2 357.882 2.283 20 30 FEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1 ZINC000186467427 672548842 /nfs/dbraw/zinc/54/88/42/672548842.db2.gz ZDNOOJRUBGWHJJ-CQSZACIVSA-N 1 2 357.882 2.283 20 30 FEEDLO COCC#CC[NH+]1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000685006338 672984704 /nfs/dbraw/zinc/98/47/04/672984704.db2.gz HOBRNLUBXJPCIB-UHFFFAOYSA-N 1 2 355.251 2.356 20 30 FEEDLO N#CCC(=O)N1CC[NH+](CCC(=O)Nc2c(Cl)cccc2Cl)CC1 ZINC000594002878 673019739 /nfs/dbraw/zinc/01/97/39/673019739.db2.gz KCQNNUYQYNMGEM-UHFFFAOYSA-N 1 2 369.252 2.380 20 30 FEEDLO C[N@@H+]1CCO[C@H](CNC(=O)N[C@@H]2C[C@H]2c2ccccc2C(F)(F)F)C1 ZINC000329091971 673071980 /nfs/dbraw/zinc/07/19/80/673071980.db2.gz JTVDBYWOMDXERQ-OSAQELSMSA-N 1 2 357.376 2.396 20 30 FEEDLO C[N@H+]1CCO[C@H](CNC(=O)N[C@@H]2C[C@H]2c2ccccc2C(F)(F)F)C1 ZINC000329091971 673071987 /nfs/dbraw/zinc/07/19/87/673071987.db2.gz JTVDBYWOMDXERQ-OSAQELSMSA-N 1 2 357.376 2.396 20 30 FEEDLO O=C(NC[C@@H](O)C[NH+]1CCOCC1)Nc1ncc(C2CCCCC2)s1 ZINC000329476041 673077927 /nfs/dbraw/zinc/07/79/27/673077927.db2.gz UAIIQNWSWIIPPW-CQSZACIVSA-N 1 2 368.503 2.210 20 30 FEEDLO Fc1cc(C=[NH+]NC(=S)NCC2CCC2)ccc1N1CCOCC1 ZINC000727652916 673177067 /nfs/dbraw/zinc/17/70/67/673177067.db2.gz VUACJWURIKRYOL-UHFFFAOYSA-N 1 2 350.463 2.260 20 30 FEEDLO C[N@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)CC1=CCSC1 ZINC000595887539 673335081 /nfs/dbraw/zinc/33/50/81/673335081.db2.gz DXZASMVAJAZXOS-UHFFFAOYSA-N 1 2 353.451 2.287 20 30 FEEDLO C[N@@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)CC1=CCSC1 ZINC000595887539 673335085 /nfs/dbraw/zinc/33/50/85/673335085.db2.gz DXZASMVAJAZXOS-UHFFFAOYSA-N 1 2 353.451 2.287 20 30 FEEDLO C[N@H+](CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)Cc1ccoc1 ZINC000540512470 673544613 /nfs/dbraw/zinc/54/46/13/673544613.db2.gz KMYLHKOUWLYPKU-INIZCTEOSA-N 1 2 358.467 2.182 20 30 FEEDLO C[N@@H+](CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)Cc1ccoc1 ZINC000540512470 673544614 /nfs/dbraw/zinc/54/46/14/673544614.db2.gz KMYLHKOUWLYPKU-INIZCTEOSA-N 1 2 358.467 2.182 20 30 FEEDLO COC(=O)[C@@]1([NH2+]C[C@H](O)CC2(C#N)CCOCC2)CCCC(C)(C)C1 ZINC000599556611 673691463 /nfs/dbraw/zinc/69/14/63/673691463.db2.gz OFYXXGWNSAYTCP-DNVCBOLYSA-N 1 2 352.475 2.159 20 30 FEEDLO C[C@@H]1C[NH+](CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)C[C@@H](C)S1 ZINC000743375654 673757320 /nfs/dbraw/zinc/75/73/20/673757320.db2.gz IJPRMCIPLHANSR-SNUQEOBHSA-N 1 2 358.467 2.109 20 30 FEEDLO C[C@@H]1C[N@@H+](CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)C[C@H](C)S1 ZINC000743375653 673757344 /nfs/dbraw/zinc/75/73/44/673757344.db2.gz IJPRMCIPLHANSR-JCGVRSQUSA-N 1 2 358.467 2.109 20 30 FEEDLO C[C@@H]1C[N@H+](CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)C[C@H](C)S1 ZINC000743375653 673757345 /nfs/dbraw/zinc/75/73/45/673757345.db2.gz IJPRMCIPLHANSR-JCGVRSQUSA-N 1 2 358.467 2.109 20 30 FEEDLO C[C@@]1(C#N)CCCN(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)C1 ZINC000601648975 673891054 /nfs/dbraw/zinc/89/10/54/673891054.db2.gz VIYMXNGFNLKQOT-SFHVURJKSA-N 1 2 359.499 2.470 20 30 FEEDLO Cc1ccc(C#N)cc1S(=O)(=O)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC000601979018 673900969 /nfs/dbraw/zinc/90/09/69/673900969.db2.gz AKYQRFFCOKXWSO-UHFFFAOYSA-N 1 2 359.455 2.131 20 30 FEEDLO N#CC1(CS(=O)(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)CCCCC1 ZINC000548129178 673926596 /nfs/dbraw/zinc/92/65/96/673926596.db2.gz MHPLWKMERNDIJM-SJORKVTESA-N 1 2 369.531 2.023 20 30 FEEDLO COc1cc(F)c(Br)cc1NC[C@H](O)C[N@H+](C)CCC#N ZINC000819492344 675294217 /nfs/dbraw/zinc/29/42/17/675294217.db2.gz CIIPSXTVFLNMHG-JTQLQIEISA-N 1 2 360.227 2.215 20 30 FEEDLO COc1cc(F)c(Br)cc1NC[C@H](O)C[N@@H+](C)CCC#N ZINC000819492344 675294218 /nfs/dbraw/zinc/29/42/18/675294218.db2.gz CIIPSXTVFLNMHG-JTQLQIEISA-N 1 2 360.227 2.215 20 30 FEEDLO O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)NCCOCC(F)(F)C(F)F ZINC000635859313 677108580 /nfs/dbraw/zinc/10/85/80/677108580.db2.gz OTKUOPCVNASHKN-QMMMGPOBSA-N 1 2 365.249 2.410 20 30 FEEDLO C=CCOc1cccc(C[N@H+]2CCc3c(cccc3S(N)(=O)=O)C2)c1 ZINC000639395023 677159312 /nfs/dbraw/zinc/15/93/12/677159312.db2.gz USTOSWJJLVZWAC-UHFFFAOYSA-N 1 2 358.463 2.457 20 30 FEEDLO C=CCOc1cccc(C[N@@H+]2CCc3c(cccc3S(N)(=O)=O)C2)c1 ZINC000639395023 677159313 /nfs/dbraw/zinc/15/93/13/677159313.db2.gz USTOSWJJLVZWAC-UHFFFAOYSA-N 1 2 358.463 2.457 20 30 FEEDLO C=CCCn1cc(C[NH2+][C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)nn1 ZINC000657364689 677996898 /nfs/dbraw/zinc/99/68/98/677996898.db2.gz YXCLFNFQOHCWAW-HZPDHXFCSA-N 1 2 354.376 2.478 20 30 FEEDLO C=CC[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N(CCC)[C@H]2CCS(=O)(=O)C2)C1 ZINC000661379370 678472665 /nfs/dbraw/zinc/47/26/65/678472665.db2.gz XOQAQAYGUPEYQB-BBWFWOEESA-N 1 2 356.532 2.089 20 30 FEEDLO C=CC[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N(CCC)[C@H]2CCS(=O)(=O)C2)C1 ZINC000661379370 678472669 /nfs/dbraw/zinc/47/26/69/678472669.db2.gz XOQAQAYGUPEYQB-BBWFWOEESA-N 1 2 356.532 2.089 20 30 FEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@H]([NH2+]Cc2csnn2)C(C)(C)C1 ZINC000996394679 680331351 /nfs/dbraw/zinc/33/13/51/680331351.db2.gz OFABCIVCPMEGRZ-JYJNAYRXSA-N 1 2 364.515 2.236 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](Cc2nnc(C)s2)CC1 ZINC000997309271 680351946 /nfs/dbraw/zinc/35/19/46/680351946.db2.gz OAWGIKOBGFVZEA-WQVCFCJDSA-N 1 2 364.515 2.154 20 30 FEEDLO C=C(Br)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001027586895 680360564 /nfs/dbraw/zinc/36/05/64/680360564.db2.gz RJOBYHVRFYBYNO-YJNKXOJESA-N 1 2 357.292 2.385 20 30 FEEDLO C=C(Br)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001027586895 680360569 /nfs/dbraw/zinc/36/05/69/680360569.db2.gz RJOBYHVRFYBYNO-YJNKXOJESA-N 1 2 357.292 2.385 20 30 FEEDLO C=C(C)CN(CC)C(=O)[C@@H](C)OC(=O)[C@@H]([NH2+]C1CCOCC1)C(C)C ZINC000754510287 680360723 /nfs/dbraw/zinc/36/07/23/680360723.db2.gz ODZOVFZUFKNWPY-WBVHZDCISA-N 1 2 354.491 2.136 20 30 FEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCO[C@H]1c1cnn(C)c1 ZINC001027939115 680364696 /nfs/dbraw/zinc/36/46/96/680364696.db2.gz HLSUPERPSBPXIU-ZACQAIPSSA-N 1 2 366.893 2.221 20 30 FEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCO[C@H]1c1cnn(C)c1 ZINC001027939115 680364697 /nfs/dbraw/zinc/36/46/97/680364697.db2.gz HLSUPERPSBPXIU-ZACQAIPSSA-N 1 2 366.893 2.221 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(C[N@@H+](C)[C@@H](C)c2csnn2)CC1 ZINC001029998528 680396470 /nfs/dbraw/zinc/39/64/70/680396470.db2.gz VWZUDTJWWOPTPI-LXZKKBNFSA-N 1 2 364.515 2.361 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(C[N@H+](C)[C@@H](C)c2csnn2)CC1 ZINC001029998528 680396473 /nfs/dbraw/zinc/39/64/73/680396473.db2.gz VWZUDTJWWOPTPI-LXZKKBNFSA-N 1 2 364.515 2.361 20 30 FEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCO[C@H]2c2ccnn2CC)C1 ZINC001033159818 680418934 /nfs/dbraw/zinc/41/89/34/680418934.db2.gz CCRPJKDHAMMAPB-BFYDXBDKSA-N 1 2 366.893 2.266 20 30 FEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCO[C@H]2c2ccnn2CC)C1 ZINC001033159818 680418935 /nfs/dbraw/zinc/41/89/35/680418935.db2.gz CCRPJKDHAMMAPB-BFYDXBDKSA-N 1 2 366.893 2.266 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2cc(OC)ns2)C1 ZINC001033498201 680424609 /nfs/dbraw/zinc/42/46/09/680424609.db2.gz UXPGRWJJLGGDDI-QRTARXTBSA-N 1 2 365.499 2.166 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2cc(OC)ns2)C1 ZINC001033498201 680424612 /nfs/dbraw/zinc/42/46/12/680424612.db2.gz UXPGRWJJLGGDDI-QRTARXTBSA-N 1 2 365.499 2.166 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@H]1CC[N@H+](Cc2csnc2OC)C1 ZINC001033959147 680428944 /nfs/dbraw/zinc/42/89/44/680428944.db2.gz BTGIRPDAHVWOBN-XHSDSOJGSA-N 1 2 365.499 2.166 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@H]1CC[N@@H+](Cc2csnc2OC)C1 ZINC001033959147 680428945 /nfs/dbraw/zinc/42/89/45/680428945.db2.gz BTGIRPDAHVWOBN-XHSDSOJGSA-N 1 2 365.499 2.166 20 30 FEEDLO N#Cc1cccn(C[N@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)c1=O ZINC000758246874 680565456 /nfs/dbraw/zinc/56/54/56/680565456.db2.gz GGGDYTIEPOMISF-CYBMUJFWSA-N 1 2 351.332 2.230 20 30 FEEDLO N#Cc1cccn(C[N@@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)c1=O ZINC000758246874 680565458 /nfs/dbraw/zinc/56/54/58/680565458.db2.gz GGGDYTIEPOMISF-CYBMUJFWSA-N 1 2 351.332 2.230 20 30 FEEDLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@H](Nc2nc(C#N)c(Cl)s2)C1 ZINC001043274539 680571355 /nfs/dbraw/zinc/57/13/55/680571355.db2.gz OJKNGAAZMZHCFS-PRHODGIISA-N 1 2 364.862 2.201 20 30 FEEDLO Cc1nsc(NC2CC(CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)c1C#N ZINC001052137007 681071746 /nfs/dbraw/zinc/07/17/46/681071746.db2.gz TYPMAKKIILIVQI-FIYWTHMPSA-N 1 2 356.455 2.157 20 30 FEEDLO Cc1nsc(NC2CC(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)c1C#N ZINC001052137007 681071749 /nfs/dbraw/zinc/07/17/49/681071749.db2.gz TYPMAKKIILIVQI-FIYWTHMPSA-N 1 2 356.455 2.157 20 30 FEEDLO CCN1C[C@H](C[NH+]2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)OC1=O ZINC000846885279 681303259 /nfs/dbraw/zinc/30/32/59/681303259.db2.gz OKPMPUSDGOLZBM-IRXDYDNUSA-N 1 2 362.861 2.363 20 30 FEEDLO O=C1OCC[C@@H]1[NH+]1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932944154 681332359 /nfs/dbraw/zinc/33/23/59/681332359.db2.gz RQRWVJRTJAZQGF-QYNIQEEDSA-N 1 2 353.209 2.405 20 30 FEEDLO Cc1ccc(S(=O)(=O)NN=C2CCC[N@@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000848399410 681535929 /nfs/dbraw/zinc/53/59/29/681535929.db2.gz QQBLXLIWEGEQJV-HNNXBMFYSA-N 1 2 366.443 2.186 20 30 FEEDLO Cc1ccc(S(=O)(=O)NN=C2CCC[N@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000848399410 681535937 /nfs/dbraw/zinc/53/59/37/681535937.db2.gz QQBLXLIWEGEQJV-HNNXBMFYSA-N 1 2 366.443 2.186 20 30 FEEDLO C=C(Cl)C(C)(C)C(=O)N1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000952175355 681769873 /nfs/dbraw/zinc/76/98/73/681769873.db2.gz FJTPKNRZXSQFDV-MGPQQGTHSA-N 1 2 364.877 2.019 20 30 FEEDLO C#CCC[NH+]1CCN(C(=O)c2cnc3ncc(Br)cc3c2)CC1 ZINC000780535243 681839973 /nfs/dbraw/zinc/83/99/73/681839973.db2.gz BMGMLWCLWUBJRX-UHFFFAOYSA-N 1 2 373.254 2.173 20 30 FEEDLO C=CCSc1ccccc1NC(=O)C[NH+]1CCC2(CNC(=O)O2)CC1 ZINC000781991073 681995473 /nfs/dbraw/zinc/99/54/73/681995473.db2.gz BJERLUZYWCCFGS-UHFFFAOYSA-N 1 2 361.467 2.478 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1snnc1C ZINC000960647385 682056506 /nfs/dbraw/zinc/05/65/06/682056506.db2.gz OFLVKCVBGGQBNP-OAGGEKHMSA-N 1 2 364.515 2.251 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1snnc1C ZINC000960647385 682056515 /nfs/dbraw/zinc/05/65/15/682056515.db2.gz OFLVKCVBGGQBNP-OAGGEKHMSA-N 1 2 364.515 2.251 20 30 FEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCCO[C@H]2c2nccn2C)C1 ZINC000969879832 682280434 /nfs/dbraw/zinc/28/04/34/682280434.db2.gz WCAJTSBFIMQSNV-FVQBIDKESA-N 1 2 366.893 2.077 20 30 FEEDLO COc1ccc(C2N=NC(=S)N2N=Cc2c[nH+]c(C)n2C)c(OC)c1 ZINC000853280670 682401360 /nfs/dbraw/zinc/40/13/60/682401360.db2.gz NXWQFFMHEINUSF-UHFFFAOYSA-N 1 2 358.427 2.175 20 30 FEEDLO CC(C)(C)OC(=O)N1CCO[C@@H](CO[NH+]=C(N)c2ccc(F)cc2)C1 ZINC000853645862 682451630 /nfs/dbraw/zinc/45/16/30/682451630.db2.gz HDVRGECXOMLGSI-CQSZACIVSA-N 1 2 353.394 2.099 20 30 FEEDLO C[C@@H]1C[N@H+](CCNC(=O)C#Cc2ccc(C(F)(F)F)cc2)[C@H](C)CO1 ZINC000855408600 682666834 /nfs/dbraw/zinc/66/68/34/682666834.db2.gz WJNBVJXEDRQCQG-ZIAGYGMSSA-N 1 2 354.372 2.282 20 30 FEEDLO C[C@@H]1C[N@@H+](CCNC(=O)C#Cc2ccc(C(F)(F)F)cc2)[C@H](C)CO1 ZINC000855408600 682666837 /nfs/dbraw/zinc/66/68/37/682666837.db2.gz WJNBVJXEDRQCQG-ZIAGYGMSSA-N 1 2 354.372 2.282 20 30 FEEDLO N#Cc1c(Br)cccc1OCC(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857977019 682929245 /nfs/dbraw/zinc/92/92/45/682929245.db2.gz QDSYIBQIQBNBJO-GFCCVEGCSA-N 1 2 361.199 2.157 20 30 FEEDLO C=C(C)CNC(=S)N1CC[C@@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000795157771 683024587 /nfs/dbraw/zinc/02/45/87/683024587.db2.gz PQNRHUYISJDHIW-OAHLLOKOSA-N 1 2 368.547 2.064 20 30 FEEDLO C#CCCCS(=O)(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000921331193 683427039 /nfs/dbraw/zinc/42/70/39/683427039.db2.gz YJPGXZXQHAQBGF-HZPDHXFCSA-N 1 2 374.428 2.382 20 30 FEEDLO C#CCCCS(=O)(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000921331193 683427046 /nfs/dbraw/zinc/42/70/46/683427046.db2.gz YJPGXZXQHAQBGF-HZPDHXFCSA-N 1 2 374.428 2.382 20 30 FEEDLO CC(C)(C)OC(=O)N1CCC(F)(F)[C@H]([NH2+]C[C@@H](O)CC2(C#N)CC2)C1 ZINC000863556899 683742152 /nfs/dbraw/zinc/74/21/52/683742152.db2.gz JCNYFTLNDTVYDZ-QWHCGFSZSA-N 1 2 359.417 2.275 20 30 FEEDLO N#CC[C@H](NCc1ccc(OCC[NH+]2CCOCC2)cc1)C(F)(F)F ZINC000922649322 683761309 /nfs/dbraw/zinc/76/13/09/683761309.db2.gz DZWXJHLDGQRSFD-INIZCTEOSA-N 1 2 357.376 2.332 20 30 FEEDLO C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000864883574 683904854 /nfs/dbraw/zinc/90/48/54/683904854.db2.gz CFSYNYVDGCTWIX-CHWSQXEVSA-N 1 2 356.854 2.424 20 30 FEEDLO C#CCC[NH+]1CCN(C(=O)c2ccc3cncc(Br)c3n2)CC1 ZINC000865084941 683933540 /nfs/dbraw/zinc/93/35/40/683933540.db2.gz KBFDMKOPKSJSCP-UHFFFAOYSA-N 1 2 373.254 2.173 20 30 FEEDLO C[C@@H]([NH2+]CCOc1ccc(S(C)(=O)=O)cc1)c1cccc(C#N)c1O ZINC000866260123 684086918 /nfs/dbraw/zinc/08/69/18/684086918.db2.gz CGHZQJUASDPPHT-CYBMUJFWSA-N 1 2 360.435 2.397 20 30 FEEDLO CC(C)(C)OC(=O)N[C@@H]1C[N@H+](C[C@H](O)CC#N)CC[C@@H]1C(F)(F)F ZINC000931982469 684381856 /nfs/dbraw/zinc/38/18/56/684381856.db2.gz SHDMWCAWRNTQRA-GRYCIOLGSA-N 1 2 351.369 2.038 20 30 FEEDLO CC(C)(C)OC(=O)N[C@@H]1C[N@@H+](C[C@H](O)CC#N)CC[C@@H]1C(F)(F)F ZINC000931982469 684381860 /nfs/dbraw/zinc/38/18/60/684381860.db2.gz SHDMWCAWRNTQRA-GRYCIOLGSA-N 1 2 351.369 2.038 20 30 FEEDLO N#CCOc1ccc(Cl)cc1C[N@@H+]1CCNC(=O)CC12CCOCC2 ZINC000872288694 684935069 /nfs/dbraw/zinc/93/50/69/684935069.db2.gz FKKSDHRQHAEHAC-UHFFFAOYSA-N 1 2 363.845 2.113 20 30 FEEDLO N#CCOc1ccc(Cl)cc1C[N@H+]1CCNC(=O)CC12CCOCC2 ZINC000872288694 684935071 /nfs/dbraw/zinc/93/50/71/684935071.db2.gz FKKSDHRQHAEHAC-UHFFFAOYSA-N 1 2 363.845 2.113 20 30 FEEDLO C[N@H+](CCc1cccc(C#N)c1)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000879432573 686820292 /nfs/dbraw/zinc/82/02/92/686820292.db2.gz CJYQFPREWMKQBS-UHFFFAOYSA-N 1 2 353.447 2.378 20 30 FEEDLO C[N@@H+](CCc1cccc(C#N)c1)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000879432573 686820298 /nfs/dbraw/zinc/82/02/98/686820298.db2.gz CJYQFPREWMKQBS-UHFFFAOYSA-N 1 2 353.447 2.378 20 30 FEEDLO Cc1sc(NC(=O)C[N@H+](CC2CC2)[C@H](C(N)=O)C2CC2)c(C#N)c1C ZINC000879488516 686834014 /nfs/dbraw/zinc/83/40/14/686834014.db2.gz NTLBJOOIIOJOKI-INIZCTEOSA-N 1 2 360.483 2.151 20 30 FEEDLO Cc1sc(NC(=O)C[N@@H+](CC2CC2)[C@H](C(N)=O)C2CC2)c(C#N)c1C ZINC000879488516 686834021 /nfs/dbraw/zinc/83/40/21/686834021.db2.gz NTLBJOOIIOJOKI-INIZCTEOSA-N 1 2 360.483 2.151 20 30 FEEDLO C[C@@H]1C[N@H+](CC(=O)NCc2ccc(C#N)cc2)CC[C@H](C(F)(F)F)O1 ZINC000880061384 686990835 /nfs/dbraw/zinc/99/08/35/686990835.db2.gz UHCFXJIVLZKOBS-IUODEOHRSA-N 1 2 355.360 2.216 20 30 FEEDLO C[C@@H]1C[N@@H+](CC(=O)NCc2ccc(C#N)cc2)CC[C@H](C(F)(F)F)O1 ZINC000880061384 686990839 /nfs/dbraw/zinc/99/08/39/686990839.db2.gz UHCFXJIVLZKOBS-IUODEOHRSA-N 1 2 355.360 2.216 20 30 FEEDLO Cc1sc(NC(=O)C[N@@H+]2C[C@@H](O)CC3(CCOCC3)C2)c(C#N)c1C ZINC000880581364 687062415 /nfs/dbraw/zinc/06/24/15/687062415.db2.gz AIMSVYAHTWPOQL-AWEZNQCLSA-N 1 2 363.483 2.039 20 30 FEEDLO Cc1sc(NC(=O)C[N@H+]2C[C@@H](O)CC3(CCOCC3)C2)c(C#N)c1C ZINC000880581364 687062418 /nfs/dbraw/zinc/06/24/18/687062418.db2.gz AIMSVYAHTWPOQL-AWEZNQCLSA-N 1 2 363.483 2.039 20 30 FEEDLO CC(C)(C)OCCC[NH+]1CCN(S(=O)(=O)CC(C)(C)CC#N)CC1 ZINC000882735012 687462547 /nfs/dbraw/zinc/46/25/47/687462547.db2.gz RSPXNFRENMVNEX-UHFFFAOYSA-N 1 2 359.536 2.079 20 30 FEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H](C)Cc1ccccc1C(F)(F)F ZINC000884332698 687850263 /nfs/dbraw/zinc/85/02/63/687850263.db2.gz TWDGNHPUYKJVOH-FZMZJTMJSA-N 1 2 358.360 2.199 20 30 FEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCc2ccc(Cl)c(Cl)c2C1 ZINC000884400497 687863673 /nfs/dbraw/zinc/86/36/73/687863673.db2.gz JZIFUHPQCLPPTM-ZDUSSCGKSA-N 1 2 357.237 2.325 20 30 FEEDLO C#CC1(O)CC[NH+](Cc2ccc(F)cc2I)CC1 ZINC000895385971 689708097 /nfs/dbraw/zinc/70/80/97/689708097.db2.gz QZJIFQRPXNMUEC-UHFFFAOYSA-N 1 2 359.182 2.390 20 30 FEEDLO CN(C)[S@](C)(=O)=NCC1CC[NH+](Cc2cc(C#N)cnc2Cl)CC1 ZINC000898397422 690175248 /nfs/dbraw/zinc/17/52/48/690175248.db2.gz ARIYETUVIQWLAT-XMMPIXPASA-N 1 2 369.922 2.393 20 30 FEEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H](Nc3ncccn3)C2)cc1Cl ZINC000903025476 690833668 /nfs/dbraw/zinc/83/36/68/690833668.db2.gz CQWRPCHZYYQONY-CQSZACIVSA-N 1 2 356.817 2.127 20 30 FEEDLO N#Cc1ccc(NC(=O)C[N@H+]2CC[C@@H](Nc3ncccn3)C2)cc1Cl ZINC000903025476 690833674 /nfs/dbraw/zinc/83/36/74/690833674.db2.gz CQWRPCHZYYQONY-CQSZACIVSA-N 1 2 356.817 2.127 20 30 FEEDLO CCc1c(C)sc(NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)c1C#N ZINC000903106570 690844749 /nfs/dbraw/zinc/84/47/49/690844749.db2.gz ZZYLDJYEGZTODS-CJNGLKHVSA-N 1 2 363.483 2.309 20 30 FEEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1ccc(Cl)c(NC(=O)C2CC2)c1 ZINC000905543376 691137456 /nfs/dbraw/zinc/13/74/56/691137456.db2.gz ZRQJWJRSDOYMAI-AWEZNQCLSA-N 1 2 350.850 2.307 20 30 FEEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1ccc(Cl)c(NC(=O)C2CC2)c1 ZINC000905543376 691137458 /nfs/dbraw/zinc/13/74/58/691137458.db2.gz ZRQJWJRSDOYMAI-AWEZNQCLSA-N 1 2 350.850 2.307 20 30 FEEDLO C[C@@H](NC(=O)[C@@H](C)[NH+]1CCN(c2cc(C#N)ccn2)CC1)c1ccccc1 ZINC000029445350 539853450 /nfs/dbraw/zinc/85/34/50/539853450.db2.gz BEMQZBJSIXNPMZ-IAGOWNOFSA-N 1 2 363.465 2.341 20 30 FEEDLO Cc1ccc(CNC(=O)[C@@H](C)[NH+]2CCN(c3cc(C#N)ccn3)CC2)cc1 ZINC000029447267 539853487 /nfs/dbraw/zinc/85/34/87/539853487.db2.gz CZSZPVDDLSLYOV-QGZVFWFLSA-N 1 2 363.465 2.089 20 30 FEEDLO C[C@@H](C(=O)N1CCCCCC1)[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000029249769 539847998 /nfs/dbraw/zinc/84/79/98/539847998.db2.gz ZGTXYUCVPACUEY-HNNXBMFYSA-N 1 2 371.485 2.337 20 30 FEEDLO Cc1nc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)ccc1C#N ZINC000032356404 539934853 /nfs/dbraw/zinc/93/48/53/539934853.db2.gz JEEUJZRXEBEOPL-LJQANCHMSA-N 1 2 350.422 2.065 20 30 FEEDLO Cc1nc(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)ccc1C#N ZINC000032356405 539935121 /nfs/dbraw/zinc/93/51/21/539935121.db2.gz JEEUJZRXEBEOPL-IBGZPJMESA-N 1 2 350.422 2.065 20 30 FEEDLO C[C@H](Oc1ccccc1C#N)C(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000032823898 539954310 /nfs/dbraw/zinc/95/43/10/539954310.db2.gz QGBCVNBNHKTKEH-INIZCTEOSA-N 1 2 350.422 2.065 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)CN1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000034887004 539978239 /nfs/dbraw/zinc/97/82/39/539978239.db2.gz IXKOUIUAWBIUKP-TYOLEZHBSA-N 1 2 354.498 2.372 20 30 FEEDLO C=C(C)C[NH+]1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000038262146 539998299 /nfs/dbraw/zinc/99/82/99/539998299.db2.gz UGKMZBRKOCRHRB-UHFFFAOYSA-N 1 2 359.289 2.332 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+](C)CC(=O)NC(C)C)c1 ZINC000042503225 540064436 /nfs/dbraw/zinc/06/44/36/540064436.db2.gz OQWWQAYLKMNGTE-KRWDZBQOSA-N 1 2 358.486 2.395 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+](C)CC(=O)NC(C)C)c1 ZINC000042503225 540064437 /nfs/dbraw/zinc/06/44/37/540064437.db2.gz OQWWQAYLKMNGTE-KRWDZBQOSA-N 1 2 358.486 2.395 20 30 FEEDLO CCc1nnc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000043345641 540097936 /nfs/dbraw/zinc/09/79/36/540097936.db2.gz WDWRIHJTQGYUOU-UHFFFAOYSA-N 1 2 356.455 2.322 20 30 FEEDLO C[C@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)Nc2ccc(C#N)cc2)CC1 ZINC000045031417 540147394 /nfs/dbraw/zinc/14/73/94/540147394.db2.gz JLMUGQBMDLLFSP-INIZCTEOSA-N 1 2 369.469 2.109 20 30 FEEDLO C[N@H+](CC(=O)NCC(=O)Nc1ccc(F)c(F)c1)Cc1ccc(C#N)cc1 ZINC000046527921 540260882 /nfs/dbraw/zinc/26/08/82/540260882.db2.gz RJNBZNCZJAGFNF-UHFFFAOYSA-N 1 2 372.375 2.023 20 30 FEEDLO C[N@@H+](CC(=O)NCC(=O)Nc1ccc(F)c(F)c1)Cc1ccc(C#N)cc1 ZINC000046527921 540260885 /nfs/dbraw/zinc/26/08/85/540260885.db2.gz RJNBZNCZJAGFNF-UHFFFAOYSA-N 1 2 372.375 2.023 20 30 FEEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000053231501 540519573 /nfs/dbraw/zinc/51/95/73/540519573.db2.gz HCOJCMXUFJWYIO-OAHLLOKOSA-N 1 2 369.421 2.181 20 30 FEEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH+]1CCC(OC)CC1 ZINC000053898088 540559844 /nfs/dbraw/zinc/55/98/44/540559844.db2.gz FWJSNZYIXRHEES-UHFFFAOYSA-N 1 2 362.474 2.062 20 30 FEEDLO C=CC[N@H+](CC(=O)NC1CCC2(CC1)OCCO2)Cc1ccc(OC)cc1 ZINC000054272717 540579409 /nfs/dbraw/zinc/57/94/09/540579409.db2.gz QWIXGAOHDNTFAY-UHFFFAOYSA-N 1 2 374.481 2.485 20 30 FEEDLO C=CC[N@@H+](CC(=O)NC1CCC2(CC1)OCCO2)Cc1ccc(OC)cc1 ZINC000054272717 540579412 /nfs/dbraw/zinc/57/94/12/540579412.db2.gz QWIXGAOHDNTFAY-UHFFFAOYSA-N 1 2 374.481 2.485 20 30 FEEDLO COC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1CCC(=O)Nc1ccccc1C#N ZINC000054424405 540589833 /nfs/dbraw/zinc/58/98/33/540589833.db2.gz PSJYQIWFADHWAE-IBGZPJMESA-N 1 2 363.417 2.487 20 30 FEEDLO COC(=O)[C@@H]1Cc2ccccc2C[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000054424405 540589838 /nfs/dbraw/zinc/58/98/38/540589838.db2.gz PSJYQIWFADHWAE-IBGZPJMESA-N 1 2 363.417 2.487 20 30 FEEDLO CC(=O)Nc1cccc2c1CC[N@@H+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)C2 ZINC000054389983 540587572 /nfs/dbraw/zinc/58/75/72/540587572.db2.gz IRECSMYBMBFSOU-VBKZILBWSA-N 1 2 356.470 2.446 20 30 FEEDLO CC(=O)Nc1cccc2c1CC[N@H+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)C2 ZINC000054389983 540587573 /nfs/dbraw/zinc/58/75/73/540587573.db2.gz IRECSMYBMBFSOU-VBKZILBWSA-N 1 2 356.470 2.446 20 30 FEEDLO CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)[NH+]1CCC(C#N)CC1 ZINC000057878610 540821298 /nfs/dbraw/zinc/82/12/98/540821298.db2.gz BCBKVXIOEYOQJB-OAHLLOKOSA-N 1 2 356.470 2.270 20 30 FEEDLO C=CCc1cc(C(=O)NCC(C)(C)[NH+]2CCOCC2)cc(OC)c1OC ZINC000058421871 540842721 /nfs/dbraw/zinc/84/27/21/540842721.db2.gz VTOOYGPQKLHFSA-UHFFFAOYSA-N 1 2 362.470 2.273 20 30 FEEDLO COc1cc(C#N)ccc1OCC(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000068255047 541568576 /nfs/dbraw/zinc/56/85/76/541568576.db2.gz KGOQNNFVLAVUOH-UHFFFAOYSA-N 1 2 351.406 2.078 20 30 FEEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)Cc1cc(Br)ccc1F ZINC000069064678 541653012 /nfs/dbraw/zinc/65/30/12/541653012.db2.gz VBCJFSDZNYPACW-SNVBAGLBSA-N 1 2 372.238 2.420 20 30 FEEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)Cc1cc(Br)ccc1F ZINC000069064678 541653016 /nfs/dbraw/zinc/65/30/16/541653016.db2.gz VBCJFSDZNYPACW-SNVBAGLBSA-N 1 2 372.238 2.420 20 30 FEEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CCN(c2ncccn2)CC1 ZINC000071832613 541773403 /nfs/dbraw/zinc/77/34/03/541773403.db2.gz BKYJAWWKCXIJKI-INIZCTEOSA-N 1 2 371.510 2.263 20 30 FEEDLO COCC[N@H+](CCC#N)CCC(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000072690377 541851333 /nfs/dbraw/zinc/85/13/33/541851333.db2.gz RWRPQCLXMSFBCM-UHFFFAOYSA-N 1 2 358.442 2.004 20 30 FEEDLO COCC[N@@H+](CCC#N)CCC(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000072690377 541851334 /nfs/dbraw/zinc/85/13/34/541851334.db2.gz RWRPQCLXMSFBCM-UHFFFAOYSA-N 1 2 358.442 2.004 20 30 FEEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN(c2ncnc3sccc32)CC1 ZINC000074158371 542044819 /nfs/dbraw/zinc/04/48/19/542044819.db2.gz HBGDYWIKRRWTSL-HNNXBMFYSA-N 1 2 371.510 2.402 20 30 FEEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC000074215191 542053953 /nfs/dbraw/zinc/05/39/53/542053953.db2.gz FFTLFWFGCJGUAJ-UHFFFAOYSA-N 1 2 361.461 2.398 20 30 FEEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC000074215191 542053954 /nfs/dbraw/zinc/05/39/54/542053954.db2.gz FFTLFWFGCJGUAJ-UHFFFAOYSA-N 1 2 361.461 2.398 20 30 FEEDLO Cc1cc(C)n(-c2ccc(C(N)=[NH+]OCc3nc(C(C)C)no3)cn2)n1 ZINC000074285568 542062954 /nfs/dbraw/zinc/06/29/54/542062954.db2.gz PGPCAUJUNMFHQH-UHFFFAOYSA-N 1 2 355.402 2.228 20 30 FEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCCN(C(=O)c2cccc(C)c2)CC1 ZINC000076902642 542328733 /nfs/dbraw/zinc/32/87/33/542328733.db2.gz MHFAZISTDQCNFE-GOSISDBHSA-N 1 2 370.497 2.151 20 30 FEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCCN(C(=O)c2cccc(C)c2)CC1 ZINC000076902642 542328736 /nfs/dbraw/zinc/32/87/36/542328736.db2.gz MHFAZISTDQCNFE-GOSISDBHSA-N 1 2 370.497 2.151 20 30 FEEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[NH+]1CCC(CC(N)=O)CC1 ZINC000077168634 542349622 /nfs/dbraw/zinc/34/96/22/542349622.db2.gz MQSHPZHKDUOQHP-NSHDSACASA-N 1 2 360.483 2.023 20 30 FEEDLO Cn1ccc2ccc(NC(=O)N(CCC#N)CC[NH+]3CCOCC3)cc21 ZINC000078620534 542472786 /nfs/dbraw/zinc/47/27/86/542472786.db2.gz ISUOFKQYMKJWAP-UHFFFAOYSA-N 1 2 355.442 2.258 20 30 FEEDLO C[C@H](C#N)OCC[NH+]1CCN([C@H](C)c2nc(-c3cccs3)no2)CC1 ZINC000801919467 674155139 /nfs/dbraw/zinc/15/51/39/674155139.db2.gz FWORCDXNDVJDOI-ZIAGYGMSSA-N 1 2 361.471 2.405 20 30 FEEDLO CCOc1ccc(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)c(C)c1 ZINC000080170244 542571086 /nfs/dbraw/zinc/57/10/86/542571086.db2.gz GBSOWGFLRXLRKQ-UHFFFAOYSA-N 1 2 360.458 2.474 20 30 FEEDLO C=CCc1cc(C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)cc(OC)c1OC ZINC000080908078 542614593 /nfs/dbraw/zinc/61/45/93/542614593.db2.gz YJMSRZOSCSPXHM-GOSISDBHSA-N 1 2 374.481 2.369 20 30 FEEDLO COc1cccc(/C(C)=C/C(=O)N(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000081728260 542673520 /nfs/dbraw/zinc/67/35/20/542673520.db2.gz GJWFLYFMHHTABG-BMRADRMJSA-N 1 2 357.454 2.173 20 30 FEEDLO N#CCOc1cccc(CC(=O)N2CCC[N@H+](Cc3cscn3)CC2)c1 ZINC000089814225 542771005 /nfs/dbraw/zinc/77/10/05/542771005.db2.gz FIRKSTNBQUUHCU-UHFFFAOYSA-N 1 2 370.478 2.322 20 30 FEEDLO N#CCOc1cccc(CC(=O)N2CCC[N@@H+](Cc3cscn3)CC2)c1 ZINC000089814225 542771007 /nfs/dbraw/zinc/77/10/07/542771007.db2.gz FIRKSTNBQUUHCU-UHFFFAOYSA-N 1 2 370.478 2.322 20 30 FEEDLO CS(=O)(=O)C[C@H]([NH2+]Cc1cnc2ccc(C#N)cn12)c1ccccc1 ZINC000551802648 674163932 /nfs/dbraw/zinc/16/39/32/674163932.db2.gz KRZNRWGBINTYLX-KRWDZBQOSA-N 1 2 354.435 2.081 20 30 FEEDLO O=C(C[N@@H+]1CCOC[C@H]1C1CC1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000090007724 542780704 /nfs/dbraw/zinc/78/07/04/542780704.db2.gz QTOPKKYYTDRZON-KRWDZBQOSA-N 1 2 366.383 2.284 20 30 FEEDLO O=C(C[N@H+]1CCOC[C@H]1C1CC1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000090007724 542780707 /nfs/dbraw/zinc/78/07/07/542780707.db2.gz QTOPKKYYTDRZON-KRWDZBQOSA-N 1 2 366.383 2.284 20 30 FEEDLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(c2ccc3cc(C#N)ccc3n2)CC1 ZINC000092921082 542895804 /nfs/dbraw/zinc/89/58/04/542895804.db2.gz FNLOTUMPQOCHRM-INIZCTEOSA-N 1 2 363.465 2.239 20 30 FEEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](NS(=O)(=O)c3cccc(F)c3)C2)o1 ZINC000093056860 542906179 /nfs/dbraw/zinc/90/61/79/542906179.db2.gz UKCIFFGZNGJSBG-CQSZACIVSA-N 1 2 363.414 2.233 20 30 FEEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](NS(=O)(=O)c3cccc(F)c3)C2)o1 ZINC000093056860 542906180 /nfs/dbraw/zinc/90/61/80/542906180.db2.gz UKCIFFGZNGJSBG-CQSZACIVSA-N 1 2 363.414 2.233 20 30 FEEDLO C[N@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)C1(C(N)=O)CCCC1 ZINC000093213955 542918081 /nfs/dbraw/zinc/91/80/81/542918081.db2.gz DYGAFSBEEROOTJ-UHFFFAOYSA-N 1 2 362.861 2.317 20 30 FEEDLO C[N@@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)C1(C(N)=O)CCCC1 ZINC000093213955 542918085 /nfs/dbraw/zinc/91/80/85/542918085.db2.gz DYGAFSBEEROOTJ-UHFFFAOYSA-N 1 2 362.861 2.317 20 30 FEEDLO CS(=O)(=O)CC[N@H+](Cc1cn(CCC#N)nc1-c1ccccc1)C1CC1 ZINC000093816363 542941532 /nfs/dbraw/zinc/94/15/32/542941532.db2.gz WYUWWQXPYLBFQN-UHFFFAOYSA-N 1 2 372.494 2.473 20 30 FEEDLO CS(=O)(=O)CC[N@@H+](Cc1cn(CCC#N)nc1-c1ccccc1)C1CC1 ZINC000093816363 542941533 /nfs/dbraw/zinc/94/15/33/542941533.db2.gz WYUWWQXPYLBFQN-UHFFFAOYSA-N 1 2 372.494 2.473 20 30 FEEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000105299141 543170077 /nfs/dbraw/zinc/17/00/77/543170077.db2.gz FEYPPQHIBKCMBO-IAGOWNOFSA-N 1 2 356.470 2.365 20 30 FEEDLO N#CCOc1ccc(CC(=O)NCc2ccc(N3CCCC3)[nH+]c2)cc1 ZINC000110623107 543362867 /nfs/dbraw/zinc/36/28/67/543362867.db2.gz BMIZDWRSSKOUCG-UHFFFAOYSA-N 1 2 350.422 2.443 20 30 FEEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@@H](N2CCCC2=O)C1 ZINC000111292091 543393014 /nfs/dbraw/zinc/39/30/14/543393014.db2.gz DEOWVGLAXZWEBV-OAHLLOKOSA-N 1 2 360.845 2.237 20 30 FEEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@@H](N2CCCC2=O)C1 ZINC000111292091 543393016 /nfs/dbraw/zinc/39/30/16/543393016.db2.gz DEOWVGLAXZWEBV-OAHLLOKOSA-N 1 2 360.845 2.237 20 30 FEEDLO C=CCOc1ccccc1CNC(=O)N1CC[C@H]([NH+]2CCN(CC)CC2)C1 ZINC000111886273 543423567 /nfs/dbraw/zinc/42/35/67/543423567.db2.gz WORWKGDYRFGBDF-IBGZPJMESA-N 1 2 372.513 2.173 20 30 FEEDLO Cc1ccc(NC(=O)C[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)c(Cl)c1 ZINC000115598629 543577581 /nfs/dbraw/zinc/57/75/81/543577581.db2.gz NUDHOPFDECTTSM-KRWDZBQOSA-N 1 2 356.813 2.275 20 30 FEEDLO C#CCCCCNC(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000120763223 543684176 /nfs/dbraw/zinc/68/41/76/543684176.db2.gz QCZFXSNGACISAF-UHFFFAOYSA-N 1 2 359.470 2.000 20 30 FEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000119619622 543669888 /nfs/dbraw/zinc/66/98/88/543669888.db2.gz ZAUSBHDMYXBIDQ-UYAOXDASSA-N 1 2 352.482 2.458 20 30 FEEDLO C=C(C)COc1cc(C[N@@H+]2CCCN(S(C)(=O)=O)CC2)ccc1OC ZINC000125161200 543864816 /nfs/dbraw/zinc/86/48/16/543864816.db2.gz LNTBZIBHHHJTOM-UHFFFAOYSA-N 1 2 368.499 2.117 20 30 FEEDLO C=C(C)COc1cc(C[N@H+]2CCCN(S(C)(=O)=O)CC2)ccc1OC ZINC000125161200 543864820 /nfs/dbraw/zinc/86/48/20/543864820.db2.gz LNTBZIBHHHJTOM-UHFFFAOYSA-N 1 2 368.499 2.117 20 30 FEEDLO C[C@](C#N)(NC(=O)C[NH+]1CCC(C(=O)c2ccc(O)cc2)CC1)C1CC1 ZINC000127759561 544012060 /nfs/dbraw/zinc/01/20/60/544012060.db2.gz KQJPDSKUCWIGOV-HXUWFJFHSA-N 1 2 355.438 2.095 20 30 FEEDLO CN1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C(C)(C)C1=O ZINC000129961790 544133183 /nfs/dbraw/zinc/13/31/83/544133183.db2.gz MEYBYZMCOPJNBU-UHFFFAOYSA-N 1 2 374.510 2.380 20 30 FEEDLO CN1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C(C)(C)C1=O ZINC000129961790 544133184 /nfs/dbraw/zinc/13/31/84/544133184.db2.gz MEYBYZMCOPJNBU-UHFFFAOYSA-N 1 2 374.510 2.380 20 30 FEEDLO Cc1ccc(C[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)c(O[C@@H]2CCOC2)c1 ZINC000131009184 544173984 /nfs/dbraw/zinc/17/39/84/544173984.db2.gz JKIMAQOWMYAYEB-QUCCMNQESA-N 1 2 365.433 2.351 20 30 FEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[NH+]1CCC(OC[C@H]2CCOC2)CC1 ZINC000131792842 544207056 /nfs/dbraw/zinc/20/70/56/544207056.db2.gz XCSNBRKQMNEREX-LPHOPBHVSA-N 1 2 358.438 2.290 20 30 FEEDLO C[N@@H+]1CCO[C@H]([C@H](NC(=O)c2cc(C#N)c[nH]2)c2ccc(Cl)cc2)C1 ZINC000133461762 544271065 /nfs/dbraw/zinc/27/10/65/544271065.db2.gz IGEKOYFOCSOSQK-DLBZAZTESA-N 1 2 358.829 2.341 20 30 FEEDLO C[N@H+]1CCO[C@H]([C@H](NC(=O)c2cc(C#N)c[nH]2)c2ccc(Cl)cc2)C1 ZINC000133461762 544271066 /nfs/dbraw/zinc/27/10/66/544271066.db2.gz IGEKOYFOCSOSQK-DLBZAZTESA-N 1 2 358.829 2.341 20 30 FEEDLO C[N@@H+]1CCN(S(=O)(=O)c2ccc(C#N)cc2F)[C@H](c2ccccc2)C1 ZINC000151026578 544497547 /nfs/dbraw/zinc/49/75/47/544497547.db2.gz VIGHDCZVCPDPKE-KRWDZBQOSA-N 1 2 359.426 2.375 20 30 FEEDLO C[N@H+]1CCN(S(=O)(=O)c2ccc(C#N)cc2F)[C@H](c2ccccc2)C1 ZINC000151026578 544497550 /nfs/dbraw/zinc/49/75/50/544497550.db2.gz VIGHDCZVCPDPKE-KRWDZBQOSA-N 1 2 359.426 2.375 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)NC2CCN(c3cccc[nH+]3)CC2)c(F)c1 ZINC000151069217 544502084 /nfs/dbraw/zinc/50/20/84/544502084.db2.gz RLMINVBWHIZIIO-UHFFFAOYSA-N 1 2 360.414 2.040 20 30 FEEDLO Cc1cc(C)n(-c2ccc(C(N)=[NH+]OCC(=O)NCCC(C)(C)C)cn2)n1 ZINC000151357948 544531783 /nfs/dbraw/zinc/53/17/83/544531783.db2.gz UBIQXKOCVFCMSW-UHFFFAOYSA-N 1 2 372.473 2.073 20 30 FEEDLO COc1ccccc1N1CC[C@@H](O[NH+]=C(N)Cc2csc(C)n2)C1=O ZINC000151215258 544518432 /nfs/dbraw/zinc/51/84/32/544518432.db2.gz AVHLFPNHCHZPFC-OAHLLOKOSA-N 1 2 360.439 2.097 20 30 FEEDLO N#Cc1ccc(Cl)cc1NC(=O)C[NH+]1CCC(NC(=O)C2CC2)CC1 ZINC000192882738 328344553 /nfs/dbraw/zinc/34/45/53/328344553.db2.gz JUMPWZAFJUVTRT-UHFFFAOYSA-N 1 2 360.845 2.141 20 30 FEEDLO CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000193166352 328360565 /nfs/dbraw/zinc/36/05/65/328360565.db2.gz YWLRNSKYDZGHRL-UHFFFAOYSA-N 1 2 364.409 2.017 20 30 FEEDLO CCO[C@H](C)c1noc(CN2CC[NH+](Cc3cccc(C#N)c3)CC2)n1 ZINC000075916138 324909544 /nfs/dbraw/zinc/90/95/44/324909544.db2.gz FYQOHLADTSSDSZ-OAHLLOKOSA-N 1 2 355.442 2.357 20 30 FEEDLO Cc1cccc(C[NH+]2CCN(C(=O)C(=O)Nc3ccc(C#N)cc3)CC2)c1 ZINC000080212331 325123016 /nfs/dbraw/zinc/12/30/16/325123016.db2.gz ILMROVSBYGFNMH-UHFFFAOYSA-N 1 2 362.433 2.150 20 30 FEEDLO C[N@@H+]1CCO[C@H](C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)C1 ZINC000081272011 325167046 /nfs/dbraw/zinc/16/70/46/325167046.db2.gz MSPCNOQGBDOOHV-SFHVURJKSA-N 1 2 364.405 2.080 20 30 FEEDLO C[N@H+]1CCO[C@H](C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)C1 ZINC000081272011 325167048 /nfs/dbraw/zinc/16/70/48/325167048.db2.gz MSPCNOQGBDOOHV-SFHVURJKSA-N 1 2 364.405 2.080 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+](CCO)[C@@H]2CCc3ccccc32)cc1 ZINC000081513390 325179469 /nfs/dbraw/zinc/17/94/69/325179469.db2.gz IVWYQMSZRDHUKS-HXUWFJFHSA-N 1 2 370.474 2.314 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+](CCO)[C@@H]2CCc3ccccc32)cc1 ZINC000081513390 325179471 /nfs/dbraw/zinc/17/94/71/325179471.db2.gz IVWYQMSZRDHUKS-HXUWFJFHSA-N 1 2 370.474 2.314 20 30 FEEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccc(C(N)=O)s3)CC2)cc1 ZINC000116418457 326012573 /nfs/dbraw/zinc/01/25/73/326012573.db2.gz ZVTZYOGWIXGFHX-UHFFFAOYSA-N 1 2 368.462 2.067 20 30 FEEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(C(N)=O)s3)CC2)cc1 ZINC000116418457 326012575 /nfs/dbraw/zinc/01/25/75/326012575.db2.gz ZVTZYOGWIXGFHX-UHFFFAOYSA-N 1 2 368.462 2.067 20 30 FEEDLO Cn1cc[nH+]c1C[C@@H]1CCCN(S(=O)(=O)c2ccc(F)c(C#N)c2)C1 ZINC000122057563 326382445 /nfs/dbraw/zinc/38/24/45/326382445.db2.gz LOCMZQZAJHWQKK-ZDUSSCGKSA-N 1 2 362.430 2.074 20 30 FEEDLO Cn1cc[nH+]c1C[C@@H]1CCCN(S(=O)(=O)Cc2cccc(C#N)c2)C1 ZINC000122092859 326383864 /nfs/dbraw/zinc/38/38/64/326383864.db2.gz SKFNSCYAEYJOIP-INIZCTEOSA-N 1 2 358.467 2.076 20 30 FEEDLO N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000126076890 326482623 /nfs/dbraw/zinc/48/26/23/326482623.db2.gz OUMLADLNXVZAMC-CYBMUJFWSA-N 1 2 361.383 2.105 20 30 FEEDLO Cc1cccc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)c1C#N ZINC000130328010 326554878 /nfs/dbraw/zinc/55/48/78/326554878.db2.gz GTPFLOTVKRJMMR-UHFFFAOYSA-N 1 2 355.463 2.373 20 30 FEEDLO Cc1ccc(NCc2c[nH+]c3ccc(C#N)cn23)cc1NS(C)(=O)=O ZINC000159849953 326944005 /nfs/dbraw/zinc/94/40/05/326944005.db2.gz JULXKNBLRIVUCG-UHFFFAOYSA-N 1 2 355.423 2.498 20 30 FEEDLO Cc1nsc(N2CCC[N@@H+]([C@@H](C)C(=O)Nc3cccc(C#N)c3)CC2)n1 ZINC000173765318 327282521 /nfs/dbraw/zinc/28/25/21/327282521.db2.gz JOUUESWIBGGYOX-ZDUSSCGKSA-N 1 2 370.482 2.258 20 30 FEEDLO Cc1nsc(N2CCC[N@H+]([C@@H](C)C(=O)Nc3cccc(C#N)c3)CC2)n1 ZINC000173765318 327282522 /nfs/dbraw/zinc/28/25/22/327282522.db2.gz JOUUESWIBGGYOX-ZDUSSCGKSA-N 1 2 370.482 2.258 20 30 FEEDLO CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cccc(C)c2C#N)c[nH+]1 ZINC000174622874 327339417 /nfs/dbraw/zinc/33/94/17/327339417.db2.gz CTVYYGVBHRBWGF-UHFFFAOYSA-N 1 2 365.437 2.363 20 30 FEEDLO COc1ccc(OC)c(C[N@H+](CCO)CC(=O)Nc2cccc(C#N)c2)c1 ZINC000264762917 329057790 /nfs/dbraw/zinc/05/77/90/329057790.db2.gz YSEQEZAXUZXUOW-UHFFFAOYSA-N 1 2 369.421 2.008 20 30 FEEDLO COc1ccc(OC)c(C[N@@H+](CCO)CC(=O)Nc2cccc(C#N)c2)c1 ZINC000264762917 329057791 /nfs/dbraw/zinc/05/77/91/329057791.db2.gz YSEQEZAXUZXUOW-UHFFFAOYSA-N 1 2 369.421 2.008 20 30 FEEDLO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)/C=C/c2ccc(C#N)cc2)CC1 ZINC000265279598 329109873 /nfs/dbraw/zinc/10/98/73/329109873.db2.gz IGGYPYPEIVCLCF-CMDGGOBGSA-N 1 2 363.465 2.266 20 30 FEEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCN(c2cccc(O)c2)CC1 ZINC000265926896 329173480 /nfs/dbraw/zinc/17/34/80/329173480.db2.gz DTHNFRVYDQKSCF-HNNXBMFYSA-N 1 2 350.422 2.413 20 30 FEEDLO COC[C@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccco1 ZINC000266914212 329272335 /nfs/dbraw/zinc/27/23/35/329272335.db2.gz CPXUTXTZKJWCFE-SFHVURJKSA-N 1 2 368.437 2.366 20 30 FEEDLO CCCNC(=O)C[N@H+](CCC)CC(=O)Nc1sc(C)c(C)c1C#N ZINC000267373246 329320436 /nfs/dbraw/zinc/32/04/36/329320436.db2.gz KEZZTSBCZASUNH-UHFFFAOYSA-N 1 2 350.488 2.413 20 30 FEEDLO CCCNC(=O)C[N@@H+](CCC)CC(=O)Nc1sc(C)c(C)c1C#N ZINC000267373246 329320437 /nfs/dbraw/zinc/32/04/37/329320437.db2.gz KEZZTSBCZASUNH-UHFFFAOYSA-N 1 2 350.488 2.413 20 30 FEEDLO C[N@H+](Cc1nccs1)[C@H]1CC12CCN(C(=O)c1ccc(C#N)[nH]1)CC2 ZINC000275740098 330083320 /nfs/dbraw/zinc/08/33/20/330083320.db2.gz QANRHBMSFFHCFV-HNNXBMFYSA-N 1 2 355.467 2.470 20 30 FEEDLO C[N@@H+](Cc1nccs1)[C@H]1CC12CCN(C(=O)c1ccc(C#N)[nH]1)CC2 ZINC000275740098 330083321 /nfs/dbraw/zinc/08/33/21/330083321.db2.gz QANRHBMSFFHCFV-HNNXBMFYSA-N 1 2 355.467 2.470 20 30 FEEDLO CCOC(CCNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)OCC ZINC000276420478 330150104 /nfs/dbraw/zinc/15/01/04/330150104.db2.gz VSILRPLWRHMGQP-UHFFFAOYSA-N 1 2 374.485 2.175 20 30 FEEDLO N#Cc1ccc(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)nc1Cl ZINC000291385114 330188407 /nfs/dbraw/zinc/18/84/07/330188407.db2.gz BXMVMEFCQWYLMB-INIZCTEOSA-N 1 2 370.840 2.237 20 30 FEEDLO N#Cc1ccc(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)nc1Cl ZINC000291385114 330188408 /nfs/dbraw/zinc/18/84/08/330188408.db2.gz BXMVMEFCQWYLMB-INIZCTEOSA-N 1 2 370.840 2.237 20 30 FEEDLO Cc1ncc(S(=O)(=O)NCCNc2ccc3ccccc3[nH+]2)cc1C#N ZINC000489502562 538817004 /nfs/dbraw/zinc/81/70/04/538817004.db2.gz YXBYVJFJDLHAHO-UHFFFAOYSA-N 1 2 367.434 2.200 20 30 FEEDLO C[C@@H](NC(=O)c1ccc(COc2ccc(C#N)cc2)o1)[C@H]1C[N@H+](C)CCO1 ZINC000156804207 545663743 /nfs/dbraw/zinc/66/37/43/545663743.db2.gz CRVMGLNKHCMKRR-AUUYWEPGSA-N 1 2 369.421 2.179 20 30 FEEDLO C[C@@H](NC(=O)c1ccc(COc2ccc(C#N)cc2)o1)[C@H]1C[N@@H+](C)CCO1 ZINC000156804207 545663749 /nfs/dbraw/zinc/66/37/49/545663749.db2.gz CRVMGLNKHCMKRR-AUUYWEPGSA-N 1 2 369.421 2.179 20 30 FEEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000157042938 545692902 /nfs/dbraw/zinc/69/29/02/545692902.db2.gz CAURIPBMMCPHKF-VQIMIIECSA-N 1 2 356.470 2.072 20 30 FEEDLO COc1ccccc1COC[C@@H](O)C[NH+]1CC(Oc2ccc(C#N)cc2)C1 ZINC000158559613 545871853 /nfs/dbraw/zinc/87/18/53/545871853.db2.gz JIIMURWPWVFFLQ-SFHVURJKSA-N 1 2 368.433 2.208 20 30 FEEDLO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(CC#Cc2ccc(F)cc2)CC1 ZINC000159837412 545985158 /nfs/dbraw/zinc/98/51/58/545985158.db2.gz PVMDKODDTVYTMY-QGZVFWFLSA-N 1 2 357.473 2.242 20 30 FEEDLO C#CCOc1cccc(NC(=O)N2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000162655712 546141884 /nfs/dbraw/zinc/14/18/84/546141884.db2.gz WGLNSTUGZSRAES-UHFFFAOYSA-N 1 2 350.422 2.443 20 30 FEEDLO Cc1oc(NC(=O)C[NH+]2CCC(NC(=O)c3ccoc3)CC2)c(C#N)c1C ZINC000166516342 546157607 /nfs/dbraw/zinc/15/76/07/546157607.db2.gz CJLTWHCUQDPUAD-UHFFFAOYSA-N 1 2 370.409 2.194 20 30 FEEDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)C3(C#N)CCOCC3)CC2)c1 ZINC000171764493 546224572 /nfs/dbraw/zinc/22/45/72/546224572.db2.gz UPYFDZMMDRVZMR-MRXNPFEDSA-N 1 2 357.454 2.221 20 30 FEEDLO C=CC[N@H+](CCCc1nc(-c2ccccc2)no1)[C@@H]1CCS(=O)(=O)C1 ZINC000172798685 546268104 /nfs/dbraw/zinc/26/81/04/546268104.db2.gz VRFZPNBQEGFSEO-MRXNPFEDSA-N 1 2 361.467 2.344 20 30 FEEDLO C=CC[N@@H+](CCCc1nc(-c2ccccc2)no1)[C@@H]1CCS(=O)(=O)C1 ZINC000172798685 546268109 /nfs/dbraw/zinc/26/81/09/546268109.db2.gz VRFZPNBQEGFSEO-MRXNPFEDSA-N 1 2 361.467 2.344 20 30 FEEDLO CNC(=O)[C@H]1CCCC[N@@H+]1CC(=O)N(CCC#N)c1ccc(C)c(C)c1 ZINC000175156109 546307249 /nfs/dbraw/zinc/30/72/49/546307249.db2.gz ONAVKPXBGYAYHQ-GOSISDBHSA-N 1 2 356.470 2.151 20 30 FEEDLO CNC(=O)[C@H]1CCCC[N@H+]1CC(=O)N(CCC#N)c1ccc(C)c(C)c1 ZINC000175156109 546307253 /nfs/dbraw/zinc/30/72/53/546307253.db2.gz ONAVKPXBGYAYHQ-GOSISDBHSA-N 1 2 356.470 2.151 20 30 FEEDLO Cc1cn2c([nH+]1)[C@H](CNS(=O)(=O)Cc1ccc(C#N)cc1F)CCC2 ZINC000480701665 561214792 /nfs/dbraw/zinc/21/47/92/561214792.db2.gz GNFVXFYZIYXFJR-AWEZNQCLSA-N 1 2 362.430 2.199 20 30 FEEDLO CCCS(=O)(=O)NC1CC[NH+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000177025361 546526365 /nfs/dbraw/zinc/52/63/65/546526365.db2.gz VUFHIUPYUMRFPX-UHFFFAOYSA-N 1 2 354.903 2.485 20 30 FEEDLO N#Cc1ccc([C@@H](O)C[NH+]2CCN(C(=O)NC3CCCCC3)CC2)cc1 ZINC000177703636 546670206 /nfs/dbraw/zinc/67/02/06/546670206.db2.gz DZOZENPVGCZTOU-IBGZPJMESA-N 1 2 356.470 2.252 20 30 FEEDLO Cc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000177708091 546672240 /nfs/dbraw/zinc/67/22/40/546672240.db2.gz LCQMYZXEQBOAIM-RHSMWYFYSA-N 1 2 351.410 2.111 20 30 FEEDLO C[C@@H](C#N)CNC(=O)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000180000279 547037620 /nfs/dbraw/zinc/03/76/20/547037620.db2.gz BOTZZALJFRNDGL-ZDUSSCGKSA-N 1 2 351.410 2.101 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)CCc1ccc2[nH]ccc2c1 ZINC000180132098 547056138 /nfs/dbraw/zinc/05/61/38/547056138.db2.gz DEKCJTVHZVTMFT-UHFFFAOYSA-N 1 2 354.454 2.175 20 30 FEEDLO CCC(CC)n1nc(C)cc1C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000180131973 547056717 /nfs/dbraw/zinc/05/67/17/547056717.db2.gz ZQULOEZQQJNQIV-UHFFFAOYSA-N 1 2 361.490 2.241 20 30 FEEDLO C=CCCC[C@H](C)NC(=O)NCc1ccc[nH+]c1N1CCC(C(N)=O)CC1 ZINC000180702837 547161335 /nfs/dbraw/zinc/16/13/35/547161335.db2.gz UFKMTXXHVYOXAM-HNNXBMFYSA-N 1 2 373.501 2.327 20 30 FEEDLO C=CCCC[C@@H](C)NC(=O)NCc1ccc[nH+]c1N1CCC(C(N)=O)CC1 ZINC000180702852 547162278 /nfs/dbraw/zinc/16/22/78/547162278.db2.gz UFKMTXXHVYOXAM-OAHLLOKOSA-N 1 2 373.501 2.327 20 30 FEEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](c3nncn3C3CC3)C2)cc1 ZINC000180869785 547199283 /nfs/dbraw/zinc/19/92/83/547199283.db2.gz IXOIMENVXOFRNO-OAHLLOKOSA-N 1 2 350.426 2.303 20 30 FEEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H](c3nncn3C3CC3)C2)cc1 ZINC000180869785 547199288 /nfs/dbraw/zinc/19/92/88/547199288.db2.gz IXOIMENVXOFRNO-OAHLLOKOSA-N 1 2 350.426 2.303 20 30 FEEDLO C[N@H+](CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)Cc1ccco1 ZINC000182663217 547528824 /nfs/dbraw/zinc/52/88/24/547528824.db2.gz UECLGIQEKRBMEX-INIZCTEOSA-N 1 2 358.467 2.182 20 30 FEEDLO C[N@@H+](CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)Cc1ccco1 ZINC000182663217 547528828 /nfs/dbraw/zinc/52/88/28/547528828.db2.gz UECLGIQEKRBMEX-INIZCTEOSA-N 1 2 358.467 2.182 20 30 FEEDLO COc1c(C)c[nH+]c(CN(C)C(=O)C(=O)Nc2cccc(C#N)c2C)c1C ZINC000182720915 547540077 /nfs/dbraw/zinc/54/00/77/547540077.db2.gz WKIYVBQKKQWXBA-UHFFFAOYSA-N 1 2 366.421 2.484 20 30 FEEDLO CN(C)c1[nH+]cccc1CNS(=O)(=O)c1ccc(C#N)cc1Cl ZINC000183498857 547671639 /nfs/dbraw/zinc/67/16/39/547671639.db2.gz PHHYFTXIRAXOIG-UHFFFAOYSA-N 1 2 350.831 2.151 20 30 FEEDLO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000183561551 547681087 /nfs/dbraw/zinc/68/10/87/547681087.db2.gz FRXIHTDJJAVQRO-UHFFFAOYSA-N 1 2 368.393 2.376 20 30 FEEDLO C[C@@H]([NH2+]CC(=O)N[C@](C)(C#N)C1CC1)c1nc(-c2cccc(F)c2)no1 ZINC000185079117 547929034 /nfs/dbraw/zinc/92/90/34/547929034.db2.gz CDOOZXWBHJHDKL-ADLMAVQZSA-N 1 2 357.389 2.335 20 30 FEEDLO C=C(C)C[C@H](C)C(=O)Nc1ccc(C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000185498463 547993136 /nfs/dbraw/zinc/99/31/36/547993136.db2.gz WRPQEJCZFGOFHQ-INIZCTEOSA-N 1 2 359.470 2.289 20 30 FEEDLO C=CC[C@@H](C(=O)NCC[NH+]1CCN(c2ncccn2)CC1)c1ccccc1 ZINC000188426661 548278858 /nfs/dbraw/zinc/27/88/58/548278858.db2.gz SQNNRPYVECQOKT-LJQANCHMSA-N 1 2 365.481 2.075 20 30 FEEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](CCC=C)c2ccccc2)CC1 ZINC000189174711 548298007 /nfs/dbraw/zinc/29/80/07/548298007.db2.gz DUBJBCBPXIWLSV-FQEVSTJZSA-N 1 2 367.493 2.020 20 30 FEEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](CCC=C)c2ccccc2)CC1 ZINC000189174711 548298011 /nfs/dbraw/zinc/29/80/11/548298011.db2.gz DUBJBCBPXIWLSV-FQEVSTJZSA-N 1 2 367.493 2.020 20 30 FEEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000195302760 548617051 /nfs/dbraw/zinc/61/70/51/548617051.db2.gz MKHOTDNPZIOCLX-OTWHNJEPSA-N 1 2 372.513 2.363 20 30 FEEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000195302760 548617053 /nfs/dbraw/zinc/61/70/53/548617053.db2.gz MKHOTDNPZIOCLX-OTWHNJEPSA-N 1 2 372.513 2.363 20 30 FEEDLO C=CCn1cccc1C(=O)NCC[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000489014441 561401618 /nfs/dbraw/zinc/40/16/18/561401618.db2.gz OUGMXFJRJPWTDM-UHFFFAOYSA-N 1 2 369.465 2.479 20 30 FEEDLO C=CCn1cccc1C(=O)NCC[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000489014441 561401619 /nfs/dbraw/zinc/40/16/19/561401619.db2.gz OUGMXFJRJPWTDM-UHFFFAOYSA-N 1 2 369.465 2.479 20 30 FEEDLO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CCO[C@@]3(CCOC3)C2)cc1 ZINC000248905350 549525855 /nfs/dbraw/zinc/52/58/55/549525855.db2.gz BCXGXTLXEMIOMB-XLIONFOSSA-N 1 2 357.454 2.122 20 30 FEEDLO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CCO[C@@]3(CCOC3)C2)cc1 ZINC000248905350 549525858 /nfs/dbraw/zinc/52/58/58/549525858.db2.gz BCXGXTLXEMIOMB-XLIONFOSSA-N 1 2 357.454 2.122 20 30 FEEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CCC[C@@H]1c1cccc2c1OCCO2)C1CC1 ZINC000263898217 549952378 /nfs/dbraw/zinc/95/23/78/549952378.db2.gz YHKWKJMGYPPSPW-UZLBHIALSA-N 1 2 355.438 2.403 20 30 FEEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CCC[C@@H]1c1cccc2c1OCCO2)C1CC1 ZINC000263898217 549952381 /nfs/dbraw/zinc/95/23/81/549952381.db2.gz YHKWKJMGYPPSPW-UZLBHIALSA-N 1 2 355.438 2.403 20 30 FEEDLO C[C@](C#N)(NC(=O)C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1)C1CC1 ZINC000264086341 549977401 /nfs/dbraw/zinc/97/74/01/549977401.db2.gz FVIHGBCIMZOBTN-HXUWFJFHSA-N 1 2 352.438 2.210 20 30 FEEDLO COc1ccccc1C[C@@H](C)CC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000264459253 549996390 /nfs/dbraw/zinc/99/63/90/549996390.db2.gz PZXWIBGEZSNZHB-GOSISDBHSA-N 1 2 373.497 2.338 20 30 FEEDLO Cn1cc[nH+]c1[C@H](NS(=O)(=O)CCCCC#N)c1ccccc1F ZINC000264557379 549998063 /nfs/dbraw/zinc/99/80/63/549998063.db2.gz MWEDPNMCNUSNSJ-OAHLLOKOSA-N 1 2 350.419 2.262 20 30 FEEDLO COc1ccc(C(N)=[NH+]O[C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)cc1 ZINC000264911874 550003602 /nfs/dbraw/zinc/00/36/02/550003602.db2.gz FSRLKZVBZAUZMG-GFCCVEGCSA-N 1 2 371.393 2.131 20 30 FEEDLO Cc1[nH+]c2cc(C)ccn2c1CN1CCN(C(=O)C2(C#N)CCC2)CC1 ZINC000265654195 550012720 /nfs/dbraw/zinc/01/27/20/550012720.db2.gz ZLQIUCXBSPZGJQ-UHFFFAOYSA-N 1 2 351.454 2.289 20 30 FEEDLO Cc1nc2cc(C)ccn2c1C[NH+]1CCN(C(=O)C2(C#N)CCC2)CC1 ZINC000265654195 550012721 /nfs/dbraw/zinc/01/27/21/550012721.db2.gz ZLQIUCXBSPZGJQ-UHFFFAOYSA-N 1 2 351.454 2.289 20 30 FEEDLO Cc1cc(N(CCC#N)C(=O)C[N@@H+](C)[C@H]2CCN(C)C2=O)ccc1Cl ZINC000265646565 550012768 /nfs/dbraw/zinc/01/27/68/550012768.db2.gz MEFFKWQLDDIQTN-INIZCTEOSA-N 1 2 362.861 2.058 20 30 FEEDLO Cc1cc(N(CCC#N)C(=O)C[N@H+](C)[C@H]2CCN(C)C2=O)ccc1Cl ZINC000265646565 550012771 /nfs/dbraw/zinc/01/27/71/550012771.db2.gz MEFFKWQLDDIQTN-INIZCTEOSA-N 1 2 362.861 2.058 20 30 FEEDLO Cc1nc(CC(N)=[NH+]O[C@@H](C)C(=O)N(C)Cc2cccc(F)c2)cs1 ZINC000267041720 550027284 /nfs/dbraw/zinc/02/72/84/550027284.db2.gz ZIVNMBNQILFUAQ-NSHDSACASA-N 1 2 364.446 2.469 20 30 FEEDLO N#CCOc1ccc(C[NH+]2CCN(C(=O)c3ccc(O)cc3)CC2)cc1 ZINC000267926989 550035486 /nfs/dbraw/zinc/03/54/86/550035486.db2.gz KKMWFJXNAIHPSA-UHFFFAOYSA-N 1 2 351.406 2.253 20 30 FEEDLO CN(C)c1ccc(CNC(=O)CCCC(=O)Nc2ccccc2C#N)c[nH+]1 ZINC000269313741 550179822 /nfs/dbraw/zinc/17/98/22/550179822.db2.gz ZZYVENAVJXLQSQ-UHFFFAOYSA-N 1 2 365.437 2.444 20 30 FEEDLO C=CCN(C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1)C1CC1 ZINC000271525159 550382522 /nfs/dbraw/zinc/38/25/22/550382522.db2.gz WKIIICKSHOVNPH-UHFFFAOYSA-N 1 2 356.470 2.450 20 30 FEEDLO N#Cc1c(N2CC[NH+](Cc3cn4ccccc4n3)CC2)nc2ccccn12 ZINC000272904885 550476148 /nfs/dbraw/zinc/47/61/48/550476148.db2.gz MWMUGLIZSRDOSB-UHFFFAOYSA-N 1 2 357.421 2.176 20 30 FEEDLO N#Cc1ccc(Br)c(C[N@@H+]2CC[C@@H](NC(=O)NC3CC3)C2)c1 ZINC000276925150 550611896 /nfs/dbraw/zinc/61/18/96/550611896.db2.gz PVMYGDOUFDYAAD-CQSZACIVSA-N 1 2 363.259 2.357 20 30 FEEDLO N#Cc1ccc(Br)c(C[N@H+]2CC[C@@H](NC(=O)NC3CC3)C2)c1 ZINC000276925150 550611897 /nfs/dbraw/zinc/61/18/97/550611897.db2.gz PVMYGDOUFDYAAD-CQSZACIVSA-N 1 2 363.259 2.357 20 30 FEEDLO COCCN1C(=O)C[C@@H](C/[NH+]=C/c2ccccc2O)[C@@H]1c1cnn(C)c1C ZINC000277547009 550683042 /nfs/dbraw/zinc/68/30/42/550683042.db2.gz WJNBCGFNDBPEFF-TVZYQXFDSA-N 1 2 370.453 2.089 20 30 FEEDLO CC(C)(C)OC(=O)CCC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000277564157 550685086 /nfs/dbraw/zinc/68/50/86/550685086.db2.gz ZDBURGJGOPWFRU-UHFFFAOYSA-N 1 2 357.454 2.324 20 30 FEEDLO Cc1cc(S(=O)(=O)NCc2ccc(N3CCCC3)[nH+]c2)ccc1C#N ZINC000277809750 550716664 /nfs/dbraw/zinc/71/66/64/550716664.db2.gz HVRLDHLICAGXCL-UHFFFAOYSA-N 1 2 356.451 2.340 20 30 FEEDLO C=CC[N@@H+](Cc1ccc(Cl)cc1-n1cncn1)[C@@H]1CCS(=O)(=O)C1 ZINC000279757402 550925764 /nfs/dbraw/zinc/92/57/64/550925764.db2.gz YQUYFVVOHIOSNE-OAHLLOKOSA-N 1 2 366.874 2.096 20 30 FEEDLO C=CC[N@H+](Cc1ccc(Cl)cc1-n1cncn1)[C@@H]1CCS(=O)(=O)C1 ZINC000279757402 550925766 /nfs/dbraw/zinc/92/57/66/550925766.db2.gz YQUYFVVOHIOSNE-OAHLLOKOSA-N 1 2 366.874 2.096 20 30 FEEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCO[C@]2(CCO[C@H]2C)C1 ZINC000280488717 550999554 /nfs/dbraw/zinc/99/95/54/550999554.db2.gz QCSCXYNQNIVNHS-FUHIMQAGSA-N 1 2 357.454 2.202 20 30 FEEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCO[C@]2(CCO[C@H]2C)C1 ZINC000280488717 550999555 /nfs/dbraw/zinc/99/95/55/550999555.db2.gz QCSCXYNQNIVNHS-FUHIMQAGSA-N 1 2 357.454 2.202 20 30 FEEDLO COCC1(C#N)CCN(C(=O)N[C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)CC1 ZINC000496644840 561494946 /nfs/dbraw/zinc/49/49/46/561494946.db2.gz AHHFERFSMCMCJF-OAHLLOKOSA-N 1 2 373.501 2.457 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000281594338 551117995 /nfs/dbraw/zinc/11/79/95/551117995.db2.gz VRHZYFMJEADRGX-ICSRJNTNSA-N 1 2 373.497 2.299 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCC(S(=O)(=O)N3CCCC3)CC2)c(F)c1 ZINC000282164530 551189047 /nfs/dbraw/zinc/18/90/47/551189047.db2.gz LVOMLYHPOPFHPN-UHFFFAOYSA-N 1 2 351.447 2.087 20 30 FEEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C1CCN(c2ccc(C#N)cc2F)CC1 ZINC000285135022 551709596 /nfs/dbraw/zinc/70/95/96/551709596.db2.gz KWFLAACYAMYJIS-AWEZNQCLSA-N 1 2 355.417 2.315 20 30 FEEDLO CN(C)c1ccc(CNC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)c[nH+]1 ZINC000286043848 551842358 /nfs/dbraw/zinc/84/23/58/551842358.db2.gz OGDDHMJLPDIODL-INIZCTEOSA-N 1 2 367.428 2.301 20 30 FEEDLO C=CCOc1ccccc1CNC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000286598581 551904459 /nfs/dbraw/zinc/90/44/59/551904459.db2.gz GVTJPGGMYRFXDY-AEFFLSMTSA-N 1 2 359.470 2.256 20 30 FEEDLO N#Cc1cc(Br)ccc1C[NH+]1CCC(N2CCNC2=O)CC1 ZINC000287287277 551985719 /nfs/dbraw/zinc/98/57/19/551985719.db2.gz MBBSWFOTJQHAJJ-UHFFFAOYSA-N 1 2 363.259 2.310 20 30 FEEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000287530791 552015988 /nfs/dbraw/zinc/01/59/88/552015988.db2.gz VOTNVOQOPXYKTM-YOEHRIQHSA-N 1 2 366.421 2.148 20 30 FEEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)C(C)(C)c1cc(F)cc(C#N)c1 ZINC000287619528 552026249 /nfs/dbraw/zinc/02/62/49/552026249.db2.gz ZCGHMPNBZAFIOG-KSSFIOAISA-N 1 2 359.445 2.297 20 30 FEEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)N(CCC#N)c2cccc(Cl)c2)C1=O ZINC000499940309 561562448 /nfs/dbraw/zinc/56/24/48/561562448.db2.gz QTNQFMKVRVVHBI-QGZVFWFLSA-N 1 2 374.872 2.305 20 30 FEEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)N(CCC#N)c2cccc(Cl)c2)C1=O ZINC000499940309 561562449 /nfs/dbraw/zinc/56/24/49/561562449.db2.gz QTNQFMKVRVVHBI-QGZVFWFLSA-N 1 2 374.872 2.305 20 30 FEEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H](C(=O)N2CCCCC2)c2ccccc2)C1=O ZINC000499996768 561563816 /nfs/dbraw/zinc/56/38/16/561563816.db2.gz CUJKZAPXWWKSME-RTBURBONSA-N 1 2 355.482 2.459 20 30 FEEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](C(=O)N2CCCCC2)c2ccccc2)C1=O ZINC000499996768 561563817 /nfs/dbraw/zinc/56/38/17/561563817.db2.gz CUJKZAPXWWKSME-RTBURBONSA-N 1 2 355.482 2.459 20 30 FEEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N(Cc2ccc(C)cc2)C2CC2)C1=O ZINC000500020847 561564270 /nfs/dbraw/zinc/56/42/70/561564270.db2.gz SVUJRNLBEFZGLD-IBGZPJMESA-N 1 2 355.482 2.205 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N(Cc2ccc(C)cc2)C2CC2)C1=O ZINC000500020847 561564271 /nfs/dbraw/zinc/56/42/71/561564271.db2.gz SVUJRNLBEFZGLD-IBGZPJMESA-N 1 2 355.482 2.205 20 30 FEEDLO CC1(C)[C@@H](C(F)(F)F)CC[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000289501521 552331584 /nfs/dbraw/zinc/33/15/84/552331584.db2.gz UEEQBFPHZHKHSU-LBPRGKRZSA-N 1 2 361.389 2.390 20 30 FEEDLO CC1(C)[C@@H](C(F)(F)F)CC[N@H+]1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000289501521 552331586 /nfs/dbraw/zinc/33/15/86/552331586.db2.gz UEEQBFPHZHKHSU-LBPRGKRZSA-N 1 2 361.389 2.390 20 30 FEEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](c2nc(=O)[nH][nH]2)C1 ZINC000289512743 552333297 /nfs/dbraw/zinc/33/32/97/552333297.db2.gz VCYHDXRCYCWGER-ZDUSSCGKSA-N 1 2 373.482 2.194 20 30 FEEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@H](c2nc(=O)[nH][nH]2)C1 ZINC000289512743 552333299 /nfs/dbraw/zinc/33/32/99/552333299.db2.gz VCYHDXRCYCWGER-ZDUSSCGKSA-N 1 2 373.482 2.194 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cc(O)cc(C(F)(F)F)c1 ZINC000290534396 552494384 /nfs/dbraw/zinc/49/43/84/552494384.db2.gz VMLHUOUJQSQRIB-UHFFFAOYSA-N 1 2 357.376 2.459 20 30 FEEDLO C=C[C@H](CO)NC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000290572459 552500531 /nfs/dbraw/zinc/50/05/31/552500531.db2.gz KZCHGJMVRIXCSX-HUUCEWRRSA-N 1 2 353.260 2.249 20 30 FEEDLO Cc1oc(NC(=O)C[N@@H+]2CC[C@](CO)(c3ccccc3)C2)c(C#N)c1C ZINC000291961929 552679147 /nfs/dbraw/zinc/67/91/47/552679147.db2.gz VCJVPGJHWQVNOV-FQEVSTJZSA-N 1 2 353.422 2.343 20 30 FEEDLO Cc1oc(NC(=O)C[N@H+]2CC[C@](CO)(c3ccccc3)C2)c(C#N)c1C ZINC000291961929 552679148 /nfs/dbraw/zinc/67/91/48/552679148.db2.gz VCJVPGJHWQVNOV-FQEVSTJZSA-N 1 2 353.422 2.343 20 30 FEEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](CC(=O)Nc3ccc(F)cc3F)C2)nc1 ZINC000292178567 552701760 /nfs/dbraw/zinc/70/17/60/552701760.db2.gz MGYHMNDOFICMFZ-CQSZACIVSA-N 1 2 358.348 2.323 20 30 FEEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](CC(=O)Nc3ccc(F)cc3F)C2)nc1 ZINC000292178567 552701761 /nfs/dbraw/zinc/70/17/61/552701761.db2.gz MGYHMNDOFICMFZ-CQSZACIVSA-N 1 2 358.348 2.323 20 30 FEEDLO COc1cc[nH+]cc1CNC(=O)CCCOc1ccc(C#N)cc1OC ZINC000293494562 552829441 /nfs/dbraw/zinc/82/94/41/552829441.db2.gz YMDCYOBQQJLYTQ-UHFFFAOYSA-N 1 2 355.394 2.446 20 30 FEEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C[C@H](C)[N@H+]1C ZINC000293721931 552850473 /nfs/dbraw/zinc/85/04/73/552850473.db2.gz FUAUEYFDJLNNNS-PHIMTYICSA-N 1 2 361.389 2.290 20 30 FEEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C[C@H](C)[N@@H+]1C ZINC000293721931 552850475 /nfs/dbraw/zinc/85/04/75/552850475.db2.gz FUAUEYFDJLNNNS-PHIMTYICSA-N 1 2 361.389 2.290 20 30 FEEDLO COC[C@]1(C(=O)OC)CC[N@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000295103044 552959189 /nfs/dbraw/zinc/95/91/89/552959189.db2.gz GRJBOHCRRJVLJW-INIZCTEOSA-N 1 2 367.243 2.332 20 30 FEEDLO COC[C@]1(C(=O)OC)CC[N@@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000295103044 552959191 /nfs/dbraw/zinc/95/91/91/552959191.db2.gz GRJBOHCRRJVLJW-INIZCTEOSA-N 1 2 367.243 2.332 20 30 FEEDLO C[N@H+](CCNC(=O)OC(C)(C)C)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000297410894 553289028 /nfs/dbraw/zinc/28/90/28/553289028.db2.gz LLAIMEDNCCLVCF-ZDUSSCGKSA-N 1 2 364.471 2.182 20 30 FEEDLO C[N@@H+](CCNC(=O)OC(C)(C)C)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000297410894 553289030 /nfs/dbraw/zinc/28/90/30/553289030.db2.gz LLAIMEDNCCLVCF-ZDUSSCGKSA-N 1 2 364.471 2.182 20 30 FEEDLO CCOc1ccc(N(CCC#N)C(=O)CN(C)Cc2[nH+]ccn2C)cc1 ZINC000503151866 561635439 /nfs/dbraw/zinc/63/54/39/561635439.db2.gz ZYPCIDMTBQPRNJ-UHFFFAOYSA-N 1 2 355.442 2.197 20 30 FEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000503211957 561636869 /nfs/dbraw/zinc/63/68/69/561636869.db2.gz SSIPLTXXGUFPJK-SJORKVTESA-N 1 2 358.486 2.146 20 30 FEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000503211957 561636870 /nfs/dbraw/zinc/63/68/70/561636870.db2.gz SSIPLTXXGUFPJK-SJORKVTESA-N 1 2 358.486 2.146 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CSc3ccncc3)CC2)cc1 ZINC000298278158 553407171 /nfs/dbraw/zinc/40/71/71/553407171.db2.gz PHTNCZUDAYWJAA-UHFFFAOYSA-N 1 2 352.463 2.390 20 30 FEEDLO N#Cc1ccc(CS(=O)(=O)NCc2ccc(N3CCCC3)[nH+]c2)cc1 ZINC000298306757 553410427 /nfs/dbraw/zinc/41/04/27/553410427.db2.gz MKCSAHGNRHZKTJ-UHFFFAOYSA-N 1 2 356.451 2.173 20 30 FEEDLO N#CCc1ccc(NC(=O)NCc2ccc[nH+]c2N2CCOCC2)cc1 ZINC000298448700 553425782 /nfs/dbraw/zinc/42/57/82/553425782.db2.gz GNLKNRPORBLJKU-UHFFFAOYSA-N 1 2 351.410 2.306 20 30 FEEDLO C#CC[N@H+](Cc1ccccc1)C[C@](C)(O)c1ccc(S(C)(=O)=O)cc1 ZINC000298563847 553441300 /nfs/dbraw/zinc/44/13/00/553441300.db2.gz PSAFOFTXQJNSAR-FQEVSTJZSA-N 1 2 357.475 2.433 20 30 FEEDLO C#CC[N@@H+](Cc1ccccc1)C[C@](C)(O)c1ccc(S(C)(=O)=O)cc1 ZINC000298563847 553441302 /nfs/dbraw/zinc/44/13/02/553441302.db2.gz PSAFOFTXQJNSAR-FQEVSTJZSA-N 1 2 357.475 2.433 20 30 FEEDLO C[C@@H]1CN(C[C@H]2CCC[N@@H+]2CC(=O)Nc2cccc(C#N)c2)C[C@@H](C)O1 ZINC000299190893 553527645 /nfs/dbraw/zinc/52/76/45/553527645.db2.gz HAGNOHSBMYJALE-GPMSIDNRSA-N 1 2 356.470 2.070 20 30 FEEDLO C[C@@H]1CN(C[C@H]2CCC[N@H+]2CC(=O)Nc2cccc(C#N)c2)C[C@@H](C)O1 ZINC000299190893 553527646 /nfs/dbraw/zinc/52/76/46/553527646.db2.gz HAGNOHSBMYJALE-GPMSIDNRSA-N 1 2 356.470 2.070 20 30 FEEDLO C=CCN(CCc1ccccc1)C(=O)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000299192076 553528103 /nfs/dbraw/zinc/52/81/03/553528103.db2.gz SCLBXCKFBYCMNC-UHFFFAOYSA-N 1 2 366.465 2.373 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cccc4c3OCCO4)CC2)cc1 ZINC000299279826 553541579 /nfs/dbraw/zinc/54/15/79/553541579.db2.gz BRZGNKUQXGTQJC-UHFFFAOYSA-N 1 2 363.417 2.287 20 30 FEEDLO COC(=O)c1ccoc1CO[NH+]=C(N)c1ccc(N2CCCCC2)nc1 ZINC000299351567 553551711 /nfs/dbraw/zinc/55/17/11/553551711.db2.gz YQWGYPPDCAXBDJ-UHFFFAOYSA-N 1 2 358.398 2.289 20 30 FEEDLO Cn1ncc2c1nc[nH+]c2N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000299669210 553600588 /nfs/dbraw/zinc/60/05/88/553600588.db2.gz UBIHHRWFGZJHBE-UHFFFAOYSA-N 1 2 361.409 2.090 20 30 FEEDLO N#Cc1ccnc(NC[C@H](c2ccccc2)[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000301628080 553667377 /nfs/dbraw/zinc/66/73/77/553667377.db2.gz HZICJIWMLFYOKT-MRXNPFEDSA-N 1 2 353.382 2.347 20 30 FEEDLO Cc1cc(NC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)ncc1C#N ZINC000603122028 553713012 /nfs/dbraw/zinc/71/30/12/553713012.db2.gz ZFFYQWZTIZFFBG-GOSISDBHSA-N 1 2 365.437 2.284 20 30 FEEDLO Cc1cc(NC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)ncc1C#N ZINC000603122028 553713013 /nfs/dbraw/zinc/71/30/13/553713013.db2.gz ZFFYQWZTIZFFBG-GOSISDBHSA-N 1 2 365.437 2.284 20 30 FEEDLO Cc1ccc(N2CC[NH+](CC(=O)NC3CCC(C)CC3)CC2)nc1C#N ZINC000302687583 553725889 /nfs/dbraw/zinc/72/58/89/553725889.db2.gz YREADLZFYYXNGN-UHFFFAOYSA-N 1 2 355.486 2.079 20 30 FEEDLO O=C(N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCOC[C@@H]1C1CC1)C1CCCCC1 ZINC000328786271 553822446 /nfs/dbraw/zinc/82/24/46/553822446.db2.gz ONBLWPZNOQXMCD-ZWKOTPCHSA-N 1 2 374.485 2.495 20 30 FEEDLO O=C(N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCOC[C@@H]1C1CC1)C1CCCCC1 ZINC000328786271 553822448 /nfs/dbraw/zinc/82/24/48/553822448.db2.gz ONBLWPZNOQXMCD-ZWKOTPCHSA-N 1 2 374.485 2.495 20 30 FEEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)CN1C(=O)[C@@H]3CCCC[C@H]3C1=O)CCC2 ZINC000328836204 553830254 /nfs/dbraw/zinc/83/02/54/553830254.db2.gz SMVXEBJFXJSMSA-RRFJBIMHSA-N 1 2 358.442 2.201 20 30 FEEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)c2cccc([C@H]3CCOC3)c2)CC1 ZINC000328871092 553836497 /nfs/dbraw/zinc/83/64/97/553836497.db2.gz IGSFGAOADRNCJB-QAPCUYQASA-N 1 2 371.481 2.456 20 30 FEEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)NCc3cccnc3OC3CCCC3)C[C@@H]21 ZINC000328886150 553838705 /nfs/dbraw/zinc/83/87/05/553838705.db2.gz OSTVJNXUNVAVPY-ZWKOTPCHSA-N 1 2 374.485 2.222 20 30 FEEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)NCc3cccnc3OC3CCCC3)C[C@@H]21 ZINC000328886150 553838708 /nfs/dbraw/zinc/83/87/08/553838708.db2.gz OSTVJNXUNVAVPY-ZWKOTPCHSA-N 1 2 374.485 2.222 20 30 FEEDLO Cc1ccn(-c2ccccc2NC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)n1 ZINC000329005868 553863133 /nfs/dbraw/zinc/86/31/33/553863133.db2.gz YUCYJUQLKOFCTI-ROUUACIJSA-N 1 2 355.442 2.131 20 30 FEEDLO Cc1ccn(-c2ccccc2NC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)n1 ZINC000329005868 553863135 /nfs/dbraw/zinc/86/31/35/553863135.db2.gz YUCYJUQLKOFCTI-ROUUACIJSA-N 1 2 355.442 2.131 20 30 FEEDLO Cc1cc(C)n(CC(=O)N[C@@H]2CCC(=O)N(C3CC3)[C@H]2c2c[nH+]cn2C)n1 ZINC000329011274 553863829 /nfs/dbraw/zinc/86/38/29/553863829.db2.gz IFOSPDGPCKMRGI-DNVCBOLYSA-N 1 2 370.457 2.085 20 30 FEEDLO C[C@@H]1CCC[C@@H](NC(=O)C[NH+]2CCN(Cc3cnc(N(C)C)nc3)CC2)C1 ZINC000329052983 553872104 /nfs/dbraw/zinc/87/21/04/553872104.db2.gz ADOULHXOKZNWHH-SJLPKXTDSA-N 1 2 374.533 2.195 20 30 FEEDLO Cn1cc[nH+]c1[C@H](NC(=O)N[C@@H]1CCC[C@@H]2OCC[C@@H]21)C1CCOCC1 ZINC000329077308 553875963 /nfs/dbraw/zinc/87/59/63/553875963.db2.gz QANXCSKFGFCHPP-WCXIOVBPSA-N 1 2 362.474 2.349 20 30 FEEDLO Cn1c[nH+]cc1[C@H]1[C@H](NC(=O)CC[C@@H]2CCOC2)CCC(=O)N1C1CC1 ZINC000329079053 553876712 /nfs/dbraw/zinc/87/67/12/553876712.db2.gz QQNJWMXDBRGOSG-ZXYWRSMDSA-N 1 2 360.458 2.388 20 30 FEEDLO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1O ZINC000329118249 553883864 /nfs/dbraw/zinc/88/38/64/553883864.db2.gz OIBFCWRJAXOGLP-VXGBXAGGSA-N 1 2 367.471 2.294 20 30 FEEDLO CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000506190248 561692698 /nfs/dbraw/zinc/69/26/98/561692698.db2.gz NESWGRMYPFMMBS-OAHLLOKOSA-N 1 2 374.363 2.323 20 30 FEEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H]([NH+]=C([O-])N1CCC[C@H]1Cn1ccnn1)C2 ZINC000329150153 553889536 /nfs/dbraw/zinc/88/95/36/553889536.db2.gz ZHZBVOREYDYXBN-CABCVRRESA-N 1 2 371.489 2.166 20 30 FEEDLO CCN1CCOC[C@@H]1C(=O)NC[C@H](c1cccs1)[N@@H+]1CCO[C@H](C)C1 ZINC000329222653 553905561 /nfs/dbraw/zinc/90/55/61/553905561.db2.gz WTHWXZXKUIPEMH-BZUAXINKSA-N 1 2 367.515 2.187 20 30 FEEDLO CCN1CCOC[C@@H]1C(=O)NC[C@H](c1cccs1)[N@H+]1CCO[C@H](C)C1 ZINC000329222653 553905563 /nfs/dbraw/zinc/90/55/63/553905563.db2.gz WTHWXZXKUIPEMH-BZUAXINKSA-N 1 2 367.515 2.187 20 30 FEEDLO Cc1cc(C)n(-c2ccc(NC(=O)NC[C@@H]3CN(C)CC[N@@H+]3C)cc2F)n1 ZINC000329239284 553908925 /nfs/dbraw/zinc/90/89/25/553908925.db2.gz QFHUUJKZSCMDRN-MRXNPFEDSA-N 1 2 374.464 2.200 20 30 FEEDLO Cc1cc(C)n(-c2ccc(NC(=O)NC[C@@H]3CN(C)CC[N@H+]3C)cc2F)n1 ZINC000329239284 553908927 /nfs/dbraw/zinc/90/89/27/553908927.db2.gz QFHUUJKZSCMDRN-MRXNPFEDSA-N 1 2 374.464 2.200 20 30 FEEDLO C[C@H](NC(=O)N[C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1)C(=O)N1CCCC1 ZINC000329289713 553918295 /nfs/dbraw/zinc/91/82/95/553918295.db2.gz AGNGOYPQVHXIBO-UONOGXRCSA-N 1 2 361.490 2.010 20 30 FEEDLO CN(C(=O)N[C@H](c1[nH+]ccn1C)C1CCOCC1)[C@@H]1CCCC[C@H]1O ZINC000329311777 553923186 /nfs/dbraw/zinc/92/31/86/553923186.db2.gz GIRCXDFUNPYKHL-OAGGEKHMSA-N 1 2 350.463 2.037 20 30 FEEDLO Cn1cc[nH+]c1[C@H](NC(=O)N1CCOCC2(CCC2)C1)C1CCOCC1 ZINC000329338812 553928149 /nfs/dbraw/zinc/92/81/49/553928149.db2.gz NIKSQCPCCALWQJ-MRXNPFEDSA-N 1 2 362.474 2.304 20 30 FEEDLO Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000329383605 553935322 /nfs/dbraw/zinc/93/53/22/553935322.db2.gz RFCXQZZWBZCKMB-GOSISDBHSA-N 1 2 373.476 2.373 20 30 FEEDLO Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000329383605 553935324 /nfs/dbraw/zinc/93/53/24/553935324.db2.gz RFCXQZZWBZCKMB-GOSISDBHSA-N 1 2 373.476 2.373 20 30 FEEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)N[C@@H]3CCO[C@@H]3c3ccc(Cl)cc3)C[C@@H]21 ZINC000329401310 553939496 /nfs/dbraw/zinc/93/94/96/553939496.db2.gz WDIIUGSCWGMZNU-YYIAUSFCSA-N 1 2 365.861 2.099 20 30 FEEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)N[C@@H]3CCO[C@@H]3c3ccc(Cl)cc3)C[C@@H]21 ZINC000329401310 553939498 /nfs/dbraw/zinc/93/94/98/553939498.db2.gz WDIIUGSCWGMZNU-YYIAUSFCSA-N 1 2 365.861 2.099 20 30 FEEDLO CCn1cc[nH+]c1[C@@H](NC(=O)N1C[C@@H](C)O[C@@H](C)C1)C1CCOCC1 ZINC000329502139 553958494 /nfs/dbraw/zinc/95/84/94/553958494.db2.gz WCGFPDXXSVFQPZ-LZWOXQAQSA-N 1 2 350.463 2.394 20 30 FEEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)N[C@H]1CCOC2(CCCC2)C1 ZINC000329542352 553964795 /nfs/dbraw/zinc/96/47/95/553964795.db2.gz NQGRLFWUTSSCHF-IKGGRYGDSA-N 1 2 351.491 2.187 20 30 FEEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1c1ncccn1 ZINC000329623572 553978216 /nfs/dbraw/zinc/97/82/16/553978216.db2.gz UVKJYMDFYMRXEU-OWSLCNJRSA-N 1 2 373.501 2.291 20 30 FEEDLO Cc1ccc2[nH+]c(CNC(=O)N[C@H]3CCOC4(CCOCC4)C3)cn2c1 ZINC000329656457 553983520 /nfs/dbraw/zinc/98/35/20/553983520.db2.gz MNUXTEWCFIVLHS-HNNXBMFYSA-N 1 2 358.442 2.375 20 30 FEEDLO O=C(N[C@H]1CCC(=O)N[C@@H]1[C@@H]1CCCO1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000329737459 553997920 /nfs/dbraw/zinc/99/79/20/553997920.db2.gz MCCWQIFQHSWGJQ-QRTARXTBSA-N 1 2 361.446 2.170 20 30 FEEDLO O=C(N[C@H]1CCC(=O)N[C@@H]1[C@@H]1CCCO1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000329737459 553997921 /nfs/dbraw/zinc/99/79/21/553997921.db2.gz MCCWQIFQHSWGJQ-QRTARXTBSA-N 1 2 361.446 2.170 20 30 FEEDLO O=C(NCC[NH+]1CCN(C(=O)C2CCC2)CC1)N1CCc2c1cccc2F ZINC000329745674 553999147 /nfs/dbraw/zinc/99/91/47/553999147.db2.gz RIJZSJGCWCDQFF-UHFFFAOYSA-N 1 2 374.460 2.047 20 30 FEEDLO N#Cc1cccc(CS(=O)(=O)NCc2cn3cc(Cl)ccc3[nH+]2)c1 ZINC000507394773 561728034 /nfs/dbraw/zinc/72/80/34/561728034.db2.gz SRGCGXDLKSEUCN-UHFFFAOYSA-N 1 2 360.826 2.479 20 30 FEEDLO CCCC1(CNC(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)CC1 ZINC000329846625 554017790 /nfs/dbraw/zinc/01/77/90/554017790.db2.gz OZVBRNRCVDSOHF-UHFFFAOYSA-N 1 2 359.474 2.375 20 30 FEEDLO C[NH+]1CCN(C(=O)c2cc(NC(=O)N3CCCC(C)(C)C3)ccn2)CC1 ZINC000329862755 554020949 /nfs/dbraw/zinc/02/09/49/554020949.db2.gz YTQHJQQNSGADHY-UHFFFAOYSA-N 1 2 359.474 2.137 20 30 FEEDLO CCN1CCN(CC(=O)NC(=O)NC2CCCCC2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329895133 554026031 /nfs/dbraw/zinc/02/60/31/554026031.db2.gz BQSHPUPMOPGJHG-OAHLLOKOSA-N 1 2 362.478 2.292 20 30 FEEDLO CC1CCC(N2C[C@H](C(=O)NCC3([NH+]4CCOCC4)CC3)CC2=O)CC1 ZINC000329903503 554028403 /nfs/dbraw/zinc/02/84/03/554028403.db2.gz QFYZTWVMIJBBOZ-AQFXKWCLSA-N 1 2 363.502 2.235 20 30 FEEDLO O=C(C[N@H+]1CCSC[C@H]1CCO)Nc1ccc2c(c1)OCCCO2 ZINC000329953696 554037922 /nfs/dbraw/zinc/03/79/22/554037922.db2.gz NKIFVKATACSFKM-CQSZACIVSA-N 1 2 352.456 2.236 20 30 FEEDLO O=C(C[N@@H+]1CCSC[C@H]1CCO)Nc1ccc2c(c1)OCCCO2 ZINC000329953696 554037924 /nfs/dbraw/zinc/03/79/24/554037924.db2.gz NKIFVKATACSFKM-CQSZACIVSA-N 1 2 352.456 2.236 20 30 FEEDLO C[C@H](NC(=O)N1CCN(C)[C@H](c2[nH+]ccn2C)C1)[C@H]1COc2ccccc21 ZINC000329984527 554043880 /nfs/dbraw/zinc/04/38/80/554043880.db2.gz CJHFIUCGDXWJBN-UAGQMJEPSA-N 1 2 369.469 2.187 20 30 FEEDLO Cn1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CNC(=O)N[C@H]2CCCC2(C)C)cn1 ZINC000329993394 554045766 /nfs/dbraw/zinc/04/57/66/554045766.db2.gz YJLAOXWLOGEOLQ-JYJNAYRXSA-N 1 2 351.470 2.415 20 30 FEEDLO Cn1cc(C[N@H+]2C[C@@H](F)C[C@H]2CNC(=O)N[C@H]2CCCC2(C)C)cn1 ZINC000329993394 554045767 /nfs/dbraw/zinc/04/57/67/554045767.db2.gz YJLAOXWLOGEOLQ-JYJNAYRXSA-N 1 2 351.470 2.415 20 30 FEEDLO O=C(C[N@@H+]1CCN2C(=O)NC[C@H]2C1)NCc1ccccc1OC1CCCC1 ZINC000330003547 554048011 /nfs/dbraw/zinc/04/80/11/554048011.db2.gz BVBKWMQBNJFHBY-INIZCTEOSA-N 1 2 372.469 2.378 20 30 FEEDLO O=C(C[N@H+]1CCN2C(=O)NC[C@H]2C1)NCc1ccccc1OC1CCCC1 ZINC000330003547 554048012 /nfs/dbraw/zinc/04/80/12/554048012.db2.gz BVBKWMQBNJFHBY-INIZCTEOSA-N 1 2 372.469 2.378 20 30 FEEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)c1cn([C@@H]3CCOC3)nn1)C2 ZINC000330057158 554056436 /nfs/dbraw/zinc/05/64/36/554056436.db2.gz WZNMSPPYZXZEHW-QWHCGFSZSA-N 1 2 358.446 2.053 20 30 FEEDLO CC(=O)N1CC[C@H](NC([O-])=[NH+][C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)C1 ZINC000330266487 554095898 /nfs/dbraw/zinc/09/58/98/554095898.db2.gz PZPPFWBZZLJIRK-QXAKKESOSA-N 1 2 367.453 2.236 20 30 FEEDLO CC(=O)N1CC[C@H](NC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)C1 ZINC000330266487 554095900 /nfs/dbraw/zinc/09/59/00/554095900.db2.gz PZPPFWBZZLJIRK-QXAKKESOSA-N 1 2 367.453 2.236 20 30 FEEDLO Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)[N@H+]1C[C@@H]2[C@H](C1)OCCN2C ZINC000330274843 554097605 /nfs/dbraw/zinc/09/76/05/554097605.db2.gz KSOXICSTQDYQRN-BBWFWOEESA-N 1 2 374.485 2.251 20 30 FEEDLO Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)[N@@H+]1C[C@@H]2[C@H](C1)OCCN2C ZINC000330274843 554097610 /nfs/dbraw/zinc/09/76/10/554097610.db2.gz KSOXICSTQDYQRN-BBWFWOEESA-N 1 2 374.485 2.251 20 30 FEEDLO Cc1cn2cc(NC(=O)[C@H]3CC(=O)N(C)[C@@H]3c3cnn(C)c3C)ccc2[nH+]1 ZINC000330287762 554100383 /nfs/dbraw/zinc/10/03/83/554100383.db2.gz COPOJIZVYGXWDM-KSSFIOAISA-N 1 2 366.425 2.492 20 30 FEEDLO CS[C@@H]1CCC[C@H](NC(=O)N2CCN(C)[C@@H](c3[nH+]ccn3C)C2)C1 ZINC000330321280 554104876 /nfs/dbraw/zinc/10/48/76/554104876.db2.gz FVOJRRFURNZZIS-RRFJBIMHSA-N 1 2 351.520 2.297 20 30 FEEDLO Cc1ccc(NC(=O)NC(=O)[C@H](C)[N@@H+]2C[C@@H]3OCCN(C)[C@H]3C2)c(C)c1 ZINC000330342842 554108377 /nfs/dbraw/zinc/10/83/77/554108377.db2.gz BGVYVCCPJOCNKZ-XIRDDKMYSA-N 1 2 360.458 2.209 20 30 FEEDLO Cc1ccc(NC(=O)NC(=O)[C@H](C)[N@H+]2C[C@@H]3OCCN(C)[C@H]3C2)c(C)c1 ZINC000330342842 554108379 /nfs/dbraw/zinc/10/83/79/554108379.db2.gz BGVYVCCPJOCNKZ-XIRDDKMYSA-N 1 2 360.458 2.209 20 30 FEEDLO CNC(=O)c1cccc(NC(=O)N2CCN(C)[C@@H](c3[nH+]ccn3C)C2)c1C ZINC000330350870 554110048 /nfs/dbraw/zinc/11/00/48/554110048.db2.gz LOUFVWKPZPMLEM-MRXNPFEDSA-N 1 2 370.457 2.197 20 30 FEEDLO C[C@@H]1C[N@H+](C)[C@@H](C)CN1S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000507918496 561745824 /nfs/dbraw/zinc/74/58/24/561745824.db2.gz CRSHURQRPOQKTQ-WDEREUQCSA-N 1 2 372.288 2.034 20 30 FEEDLO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000507918496 561745825 /nfs/dbraw/zinc/74/58/25/561745825.db2.gz CRSHURQRPOQKTQ-WDEREUQCSA-N 1 2 372.288 2.034 20 30 FEEDLO Cc1cc(S(=O)(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)ccc1C#N ZINC000508087676 561750979 /nfs/dbraw/zinc/75/09/79/561750979.db2.gz XFIZNNHNWVZRSX-UHFFFAOYSA-N 1 2 353.407 2.307 20 30 FEEDLO C=CCn1c(CCCc2ccccc2)nnc1N(C)CC[NH+]1CCOCC1 ZINC000508504677 561764044 /nfs/dbraw/zinc/76/40/44/561764044.db2.gz AGXHGXICMXLIFE-UHFFFAOYSA-N 1 2 369.513 2.408 20 30 FEEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+]2C[C@H](C)[C@H](O)C2)c1C#N ZINC000509050307 561782890 /nfs/dbraw/zinc/78/28/90/561782890.db2.gz VSBUTHNYVYDAAF-IFXJQAMLSA-N 1 2 366.465 2.276 20 30 FEEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+]2C[C@H](C)[C@H](O)C2)c1C#N ZINC000509050307 561782892 /nfs/dbraw/zinc/78/28/92/561782892.db2.gz VSBUTHNYVYDAAF-IFXJQAMLSA-N 1 2 366.465 2.276 20 30 FEEDLO CC1(C)CC[C@@H](CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)O1 ZINC000331837681 554327893 /nfs/dbraw/zinc/32/78/93/554327893.db2.gz ACMKLJLJNYZZNI-SFHVURJKSA-N 1 2 356.470 2.343 20 30 FEEDLO C[C@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000332026580 554366290 /nfs/dbraw/zinc/36/62/90/554366290.db2.gz GYWVJXVCXWKWNA-NTDBWNAOSA-N 1 2 369.513 2.405 20 30 FEEDLO N#Cc1ccc(N2CCC[C@H]([N@H+]3CCOC[C@H]3[C@@H]3CCCC3=O)C2=O)cc1 ZINC000333382666 554607969 /nfs/dbraw/zinc/60/79/69/554607969.db2.gz FQZGNIWCUKNAIN-FHWLQOOXSA-N 1 2 367.449 2.124 20 30 FEEDLO N#Cc1ccc(N2CCC[C@H]([N@@H+]3CCOC[C@H]3[C@@H]3CCCC3=O)C2=O)cc1 ZINC000333382666 554607971 /nfs/dbraw/zinc/60/79/71/554607971.db2.gz FQZGNIWCUKNAIN-FHWLQOOXSA-N 1 2 367.449 2.124 20 30 FEEDLO C=C[C@@](C)(CC)c1nc(-c2ccc(C(=O)N3CC[NH+](C)CC3)nc2)no1 ZINC000350145159 554763023 /nfs/dbraw/zinc/76/30/23/554763023.db2.gz UUBXEOZZCDSEBI-IBGZPJMESA-N 1 2 355.442 2.373 20 30 FEEDLO CCO[C@H](C)c1noc(CN2CCC[N@H+](C[C@@H](C#N)CCC#N)CC2)n1 ZINC000363116578 555034074 /nfs/dbraw/zinc/03/40/74/555034074.db2.gz MCYKKKWUSPOGHC-HZPDHXFCSA-N 1 2 360.462 2.118 20 30 FEEDLO CCO[C@H](C)c1noc(CN2CCC[N@@H+](C[C@@H](C#N)CCC#N)CC2)n1 ZINC000363116578 555034076 /nfs/dbraw/zinc/03/40/76/555034076.db2.gz MCYKKKWUSPOGHC-HZPDHXFCSA-N 1 2 360.462 2.118 20 30 FEEDLO CCc1c[nH+]ccc1NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 ZINC000511875229 561883847 /nfs/dbraw/zinc/88/38/47/561883847.db2.gz LVIHSUYJGODJDU-UHFFFAOYSA-N 1 2 357.435 2.396 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)NCCc2cn3c([nH+]2)CCCC3)cc1Cl ZINC000363461293 555111572 /nfs/dbraw/zinc/11/15/72/555111572.db2.gz YJCTWQCOBUTECL-UHFFFAOYSA-N 1 2 364.858 2.265 20 30 FEEDLO C=CCCCCCN(C)C(=O)NC[C@]1([NH+]2CCOCC2)CCCOC1 ZINC000363808875 555190598 /nfs/dbraw/zinc/19/05/98/555190598.db2.gz AUYLHNBMAPPOEL-LJQANCHMSA-N 1 2 353.507 2.256 20 30 FEEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)NC(=O)NCC(C)C ZINC000512177082 561894752 /nfs/dbraw/zinc/89/47/52/561894752.db2.gz CVXHHWQIMOOLLV-CQSZACIVSA-N 1 2 351.447 2.020 20 30 FEEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)NC(=O)NCC(C)C ZINC000512177082 561894753 /nfs/dbraw/zinc/89/47/53/561894753.db2.gz CVXHHWQIMOOLLV-CQSZACIVSA-N 1 2 351.447 2.020 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCCCOC(F)F)CC2)cc1 ZINC000512272030 561898033 /nfs/dbraw/zinc/89/80/33/561898033.db2.gz VRBFUTIXRMLMFY-UHFFFAOYSA-N 1 2 352.385 2.015 20 30 FEEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2C[C@H](O)C3(CC3)C2)c1C#N ZINC000364442769 555314848 /nfs/dbraw/zinc/31/48/48/555314848.db2.gz MYDOJGMMCIDIGV-KRWDZBQOSA-N 1 2 368.437 2.013 20 30 FEEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2C[C@H](O)C3(CC3)C2)c1C#N ZINC000364442769 555314849 /nfs/dbraw/zinc/31/48/49/555314849.db2.gz MYDOJGMMCIDIGV-KRWDZBQOSA-N 1 2 368.437 2.013 20 30 FEEDLO Cc1ccc(S(=O)(=O)NCC[N@@H+](C)Cc2cccc(C#N)c2F)cc1 ZINC000512476242 561906858 /nfs/dbraw/zinc/90/68/58/561906858.db2.gz ZFJRWBOQFMKIBQ-UHFFFAOYSA-N 1 2 361.442 2.416 20 30 FEEDLO Cc1ccc(S(=O)(=O)NCC[N@H+](C)Cc2cccc(C#N)c2F)cc1 ZINC000512476242 561906859 /nfs/dbraw/zinc/90/68/59/561906859.db2.gz ZFJRWBOQFMKIBQ-UHFFFAOYSA-N 1 2 361.442 2.416 20 30 FEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](CC(=O)N1CCCCCC1)C(C)C ZINC000513253119 561931207 /nfs/dbraw/zinc/93/12/07/561931207.db2.gz UMKAQRCSMNMBCQ-KRWDZBQOSA-N 1 2 350.507 2.108 20 30 FEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](CC(=O)N1CCCCCC1)C(C)C ZINC000513253119 561931209 /nfs/dbraw/zinc/93/12/09/561931209.db2.gz UMKAQRCSMNMBCQ-KRWDZBQOSA-N 1 2 350.507 2.108 20 30 FEEDLO CC(C)Cn1cc[nH+]c1CNC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000366152003 555766096 /nfs/dbraw/zinc/76/60/96/555766096.db2.gz JWCKKOBUKIEUPS-MRXNPFEDSA-N 1 2 368.441 2.169 20 30 FEEDLO C[C@@H](C(=O)Nc1ccc(Cl)cn1)[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000366358001 555820854 /nfs/dbraw/zinc/82/08/54/555820854.db2.gz XRPGESLGBLNVDA-WFASDCNBSA-N 1 2 371.828 2.482 20 30 FEEDLO C[C@@H](C(=O)Nc1ccc(Cl)cn1)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000366358001 555820856 /nfs/dbraw/zinc/82/08/56/555820856.db2.gz XRPGESLGBLNVDA-WFASDCNBSA-N 1 2 371.828 2.482 20 30 FEEDLO CCO[C@@H](C)c1noc(C[N@@H+]2CCCN(c3cc(C#N)cc(C)n3)CC2)n1 ZINC000367427481 556046066 /nfs/dbraw/zinc/04/60/66/556046066.db2.gz ZPGRNGQGBNLUQN-HNNXBMFYSA-N 1 2 370.457 2.455 20 30 FEEDLO CCO[C@@H](C)c1noc(C[N@H+]2CCCN(c3cc(C#N)cc(C)n3)CC2)n1 ZINC000367427481 556046068 /nfs/dbraw/zinc/04/60/68/556046068.db2.gz ZPGRNGQGBNLUQN-HNNXBMFYSA-N 1 2 370.457 2.455 20 30 FEEDLO C[C@H]1C[C@H](N2CCOCC2)C[N@@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000367602528 556094336 /nfs/dbraw/zinc/09/43/36/556094336.db2.gz UHTKDMBSTSWYCM-HOTGVXAUSA-N 1 2 374.510 2.036 20 30 FEEDLO C[C@H]1C[C@H](N2CCOCC2)C[N@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000367602528 556094340 /nfs/dbraw/zinc/09/43/40/556094340.db2.gz UHTKDMBSTSWYCM-HOTGVXAUSA-N 1 2 374.510 2.036 20 30 FEEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1CC(=O)Nc1ccccc1SCC#N ZINC000367602528 556094343 /nfs/dbraw/zinc/09/43/43/556094343.db2.gz UHTKDMBSTSWYCM-HOTGVXAUSA-N 1 2 374.510 2.036 20 30 FEEDLO C=CCc1ccc(OCC(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)c(OC)c1 ZINC000367635124 556101720 /nfs/dbraw/zinc/10/17/20/556101720.db2.gz KCBCLBKYACWCSJ-WMZOPIPTSA-N 1 2 374.481 2.124 20 30 FEEDLO C=CCCCCCNC(=O)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000515869569 562024435 /nfs/dbraw/zinc/02/44/35/562024435.db2.gz HJOKNVRANDRDDP-UHFFFAOYSA-N 1 2 358.417 2.490 20 30 FEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCOC[C@@H]1Cc1c[nH]c2ccccc12 ZINC000369191796 556530681 /nfs/dbraw/zinc/53/06/81/556530681.db2.gz BWNIQLVLTKNFON-AEFFLSMTSA-N 1 2 368.481 2.419 20 30 FEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCOC[C@@H]1Cc1c[nH]c2ccccc12 ZINC000369191796 556530685 /nfs/dbraw/zinc/53/06/85/556530685.db2.gz BWNIQLVLTKNFON-AEFFLSMTSA-N 1 2 368.481 2.419 20 30 FEEDLO C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000515958765 562026348 /nfs/dbraw/zinc/02/63/48/562026348.db2.gz HLCIBGDGHDXHDV-BRWVUGGUSA-N 1 2 355.486 2.253 20 30 FEEDLO CC[C@@H]1C[N@H+](CC(=O)N(C)C2(C#N)CCCCC2)C[C@@]2(CCCOC2)O1 ZINC000369537551 556624564 /nfs/dbraw/zinc/62/45/64/556624564.db2.gz RSKJISJXHBPGKN-YLJYHZDGSA-N 1 2 363.502 2.331 20 30 FEEDLO CC[C@@H]1C[N@@H+](CC(=O)N(C)C2(C#N)CCCCC2)C[C@@]2(CCCOC2)O1 ZINC000369537551 556624566 /nfs/dbraw/zinc/62/45/66/556624566.db2.gz RSKJISJXHBPGKN-YLJYHZDGSA-N 1 2 363.502 2.331 20 30 FEEDLO C=CCC1(NC(=O)N[C@H]2CCCN(Cc3[nH+]ccn3C)C2=O)CCCCC1 ZINC000516253319 562037432 /nfs/dbraw/zinc/03/74/32/562037432.db2.gz IEBJSUDSVWWOBL-INIZCTEOSA-N 1 2 373.501 2.489 20 30 FEEDLO C#CC[C@@H](C)NC(=O)N[C@@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1 ZINC000369772240 556690431 /nfs/dbraw/zinc/69/04/31/556690431.db2.gz ZOCGRSATUNKBMI-CXAGYDPISA-N 1 2 356.426 2.238 20 30 FEEDLO C=CCn1c(C)cc(C(=O)CN2CCC[N@@H+](CC(=O)NC(C)C)CC2)c1C ZINC000370111923 556784121 /nfs/dbraw/zinc/78/41/21/556784121.db2.gz MXNGZYZREHATEK-UHFFFAOYSA-N 1 2 374.529 2.006 20 30 FEEDLO C=CCn1c(C)cc(C(=O)CN2CCC[N@H+](CC(=O)NC(C)C)CC2)c1C ZINC000370111923 556784122 /nfs/dbraw/zinc/78/41/22/556784122.db2.gz MXNGZYZREHATEK-UHFFFAOYSA-N 1 2 374.529 2.006 20 30 FEEDLO N#Cc1ccsc1NC(=O)C[NH+]1CCC2(C[C@H]2C(=O)N2CCCC2)CC1 ZINC000371388498 557170360 /nfs/dbraw/zinc/17/03/60/557170360.db2.gz NMBDMYQKHQLDMD-HNNXBMFYSA-N 1 2 372.494 2.283 20 30 FEEDLO C[N@H+](Cc1ncccn1)[C@@H]1CCN(c2cc(C(F)(F)F)cnc2C#N)C1 ZINC000518931710 562121271 /nfs/dbraw/zinc/12/12/71/562121271.db2.gz SRCFEHGDRVQSSF-CYBMUJFWSA-N 1 2 362.359 2.473 20 30 FEEDLO C[N@@H+](Cc1ncccn1)[C@@H]1CCN(c2cc(C(F)(F)F)cnc2C#N)C1 ZINC000518931710 562121272 /nfs/dbraw/zinc/12/12/72/562121272.db2.gz SRCFEHGDRVQSSF-CYBMUJFWSA-N 1 2 362.359 2.473 20 30 FEEDLO Cc1cc(NC(=O)Cc2cn3ccccc3[nH+]2)nn1-c1cccc(C#N)c1 ZINC000372471811 557479361 /nfs/dbraw/zinc/47/93/61/557479361.db2.gz HXJUKWSQJGNESF-UHFFFAOYSA-N 1 2 356.389 2.881 20 30 FEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1nn(-c2cccc(F)c2)c2c1CCC2 ZINC000519710054 562140895 /nfs/dbraw/zinc/14/08/95/562140895.db2.gz VPGNRBAKMOBCLP-LJQANCHMSA-N 1 2 355.417 2.074 20 30 FEEDLO N#Cc1ccc(CNC(=O)C[N@H+]2CC=C(c3cncc(F)c3)CC2)cc1 ZINC000373129121 557634744 /nfs/dbraw/zinc/63/47/44/557634744.db2.gz XRWKUOMPKRMSCH-UHFFFAOYSA-N 1 2 350.397 2.498 20 30 FEEDLO N#Cc1ccc(CNC(=O)C[N@@H+]2CC=C(c3cncc(F)c3)CC2)cc1 ZINC000373129121 557634746 /nfs/dbraw/zinc/63/47/46/557634746.db2.gz XRWKUOMPKRMSCH-UHFFFAOYSA-N 1 2 350.397 2.498 20 30 FEEDLO N#C[C@@]1(C(=O)N2CC[NH+](Cc3cccnc3)CC2)CCc2ccccc2C1 ZINC000373190659 557646902 /nfs/dbraw/zinc/64/69/02/557646902.db2.gz LSSIWZCMSZWNHO-JOCHJYFZSA-N 1 2 360.461 2.425 20 30 FEEDLO C[C@@H]1C[N@H+](CC(=O)N(CCC#N)c2ccccc2)C[C@]2(CCCOC2)O1 ZINC000373813498 557764945 /nfs/dbraw/zinc/76/49/45/557764945.db2.gz UHHKYGAXBQNLHX-XLIONFOSSA-N 1 2 357.454 2.203 20 30 FEEDLO C[C@@H]1C[N@@H+](CC(=O)N(CCC#N)c2ccccc2)C[C@]2(CCCOC2)O1 ZINC000373813498 557764946 /nfs/dbraw/zinc/76/49/46/557764946.db2.gz UHHKYGAXBQNLHX-XLIONFOSSA-N 1 2 357.454 2.203 20 30 FEEDLO COc1ccccc1[C@H]1CN(C(=O)COc2ccc(C#N)cc2)CC[NH2+]1 ZINC000374353072 557870311 /nfs/dbraw/zinc/87/03/11/557870311.db2.gz SXNZJWISEQITKD-GOSISDBHSA-N 1 2 351.406 2.119 20 30 FEEDLO C[C@H](CSc1ccccc1)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000521118709 562169970 /nfs/dbraw/zinc/16/99/70/562169970.db2.gz JIQYRLYLALCEOV-QGZVFWFLSA-N 1 2 361.511 2.489 20 30 FEEDLO Cc1cn2c([nH+]1)CC[C@@H](NS(=O)(=O)c1ccc(C#N)cc1Cl)C2 ZINC000374847121 557940111 /nfs/dbraw/zinc/94/01/11/557940111.db2.gz QNVGDXOQRWHNIV-GFCCVEGCSA-N 1 2 350.831 2.010 20 30 FEEDLO C=CCCC[C@@H](C)NC(=O)N1CCC[N@H+](CC(=O)NC(C)(C)C)CC1 ZINC000375022232 557966020 /nfs/dbraw/zinc/96/60/20/557966020.db2.gz QTGJWVFCYVZQGT-MRXNPFEDSA-N 1 2 352.523 2.363 20 30 FEEDLO C=CCCC[C@@H](C)NC(=O)N1CCC[N@@H+](CC(=O)NC(C)(C)C)CC1 ZINC000375022232 557966022 /nfs/dbraw/zinc/96/60/22/557966022.db2.gz QTGJWVFCYVZQGT-MRXNPFEDSA-N 1 2 352.523 2.363 20 30 FEEDLO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CCC[C@]3(CNC(=O)O3)C2)cc1 ZINC000375571581 558050598 /nfs/dbraw/zinc/05/05/98/558050598.db2.gz OTHXTOYASXUTLU-UZLBHIALSA-N 1 2 370.453 2.205 20 30 FEEDLO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CCC[C@]3(CNC(=O)O3)C2)cc1 ZINC000375571581 558050599 /nfs/dbraw/zinc/05/05/99/558050599.db2.gz OTHXTOYASXUTLU-UZLBHIALSA-N 1 2 370.453 2.205 20 30 FEEDLO Cc1nnc([C@H]2CC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c3ccccc3)C2)[nH]1 ZINC000521574540 562179124 /nfs/dbraw/zinc/17/91/24/562179124.db2.gz NBQWXYJUZWOQPG-HOCLYGCPSA-N 1 2 352.442 2.238 20 30 FEEDLO Cc1nnc([C@H]2CC[N@H+]([C@@H](C)C(=O)N(CCC#N)c3ccccc3)C2)[nH]1 ZINC000521574540 562179125 /nfs/dbraw/zinc/17/91/25/562179125.db2.gz NBQWXYJUZWOQPG-HOCLYGCPSA-N 1 2 352.442 2.238 20 30 FEEDLO Cc1n[nH]c([C@H]2CC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c3ccccc3)C2)n1 ZINC000521574540 562179126 /nfs/dbraw/zinc/17/91/26/562179126.db2.gz NBQWXYJUZWOQPG-HOCLYGCPSA-N 1 2 352.442 2.238 20 30 FEEDLO Cc1n[nH]c([C@H]2CC[N@H+]([C@@H](C)C(=O)N(CCC#N)c3ccccc3)C2)n1 ZINC000521574540 562179127 /nfs/dbraw/zinc/17/91/27/562179127.db2.gz NBQWXYJUZWOQPG-HOCLYGCPSA-N 1 2 352.442 2.238 20 30 FEEDLO Cc1nc([C@H]2CC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c3ccccc3)C2)n[nH]1 ZINC000521574540 562179128 /nfs/dbraw/zinc/17/91/28/562179128.db2.gz NBQWXYJUZWOQPG-HOCLYGCPSA-N 1 2 352.442 2.238 20 30 FEEDLO Cc1nc([C@H]2CC[N@H+]([C@@H](C)C(=O)N(CCC#N)c3ccccc3)C2)n[nH]1 ZINC000521574540 562179129 /nfs/dbraw/zinc/17/91/29/562179129.db2.gz NBQWXYJUZWOQPG-HOCLYGCPSA-N 1 2 352.442 2.238 20 30 FEEDLO CCc1nn(C)c(Cl)c1C[N@@H+]1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000376640383 558201910 /nfs/dbraw/zinc/20/19/10/558201910.db2.gz GEYOUBSAHOVKPW-BLVKFPJESA-N 1 2 369.856 2.481 20 30 FEEDLO CCc1nn(C)c(Cl)c1C[N@H+]1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000376640383 558201912 /nfs/dbraw/zinc/20/19/12/558201912.db2.gz GEYOUBSAHOVKPW-BLVKFPJESA-N 1 2 369.856 2.481 20 30 FEEDLO Cc1ccnc(N2CC[NH+]([C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)c1C#N ZINC000377157109 558277992 /nfs/dbraw/zinc/27/79/92/558277992.db2.gz CZERSLDRMKSCJB-INIZCTEOSA-N 1 2 371.485 2.393 20 30 FEEDLO C#CCCS(=O)(=O)N[C@@H]1CC[N@H+](C2CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000377297075 558309058 /nfs/dbraw/zinc/30/90/58/558309058.db2.gz PORIEOIALDMAAJ-SJORKVTESA-N 1 2 354.422 2.185 20 30 FEEDLO C#CCCS(=O)(=O)N[C@@H]1CC[N@@H+](C2CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000377297075 558309060 /nfs/dbraw/zinc/30/90/60/558309060.db2.gz PORIEOIALDMAAJ-SJORKVTESA-N 1 2 354.422 2.185 20 30 FEEDLO CC[N@@H+]1CCO[C@H](c2noc([C@H]3CCN(c4ccc(C#N)cc4F)C3)n2)C1 ZINC000377518839 558356224 /nfs/dbraw/zinc/35/62/24/558356224.db2.gz ZJOJHUBPVYAFTK-YOEHRIQHSA-N 1 2 371.416 2.467 20 30 FEEDLO CC[N@H+]1CCO[C@H](c2noc([C@H]3CCN(c4ccc(C#N)cc4F)C3)n2)C1 ZINC000377518839 558356226 /nfs/dbraw/zinc/35/62/26/558356226.db2.gz ZJOJHUBPVYAFTK-YOEHRIQHSA-N 1 2 371.416 2.467 20 30 FEEDLO N#Cc1cccc([C@@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)nc3)CCO2)c1 ZINC000378301549 558523846 /nfs/dbraw/zinc/52/38/46/558523846.db2.gz MJOWAUPCRMULSP-SFHVURJKSA-N 1 2 359.389 2.353 20 30 FEEDLO C=CCN(CCc1ccco1)C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000378493943 558569043 /nfs/dbraw/zinc/56/90/43/558569043.db2.gz JJHASHLHYZSXME-UHFFFAOYSA-N 1 2 356.470 2.482 20 30 FEEDLO C=C1CC[NH+]([C@@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)CC1 ZINC000524564420 562230288 /nfs/dbraw/zinc/23/02/88/562230288.db2.gz VSNLMVNSHNPHAK-INIZCTEOSA-N 1 2 354.454 2.463 20 30 FEEDLO CCN(CC)C(=O)N1CC[NH+](CCOc2ccc(C#N)cc2OC)CC1 ZINC000525422794 562247885 /nfs/dbraw/zinc/24/78/85/562247885.db2.gz UCKMEKOVSAKITQ-UHFFFAOYSA-N 1 2 360.458 2.025 20 30 FEEDLO C[C@@H](O)CNc1cc(N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)nc[nH+]1 ZINC000413136501 559081824 /nfs/dbraw/zinc/08/18/24/559081824.db2.gz FNPQHUNKNVNQDH-UKRRQHHQSA-N 1 2 370.432 2.361 20 30 FEEDLO C[C@@H](O)CNc1cc(N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)[nH+]cn1 ZINC000413136501 559081826 /nfs/dbraw/zinc/08/18/26/559081826.db2.gz FNPQHUNKNVNQDH-UKRRQHHQSA-N 1 2 370.432 2.361 20 30 FEEDLO C=C(C)CN(Cc1ccc(CO)o1)c1cc(N2CC[C@H]([C@H](C)O)C2)[nH+]cn1 ZINC000413277418 559094840 /nfs/dbraw/zinc/09/48/40/559094840.db2.gz DUSZPTSAUIWQSN-HOTGVXAUSA-N 1 2 372.469 2.352 20 30 FEEDLO C=C(C)CN(Cc1ccc(CO)o1)c1cc(N2CC[C@H]([C@H](C)O)C2)nc[nH+]1 ZINC000413277418 559094841 /nfs/dbraw/zinc/09/48/41/559094841.db2.gz DUSZPTSAUIWQSN-HOTGVXAUSA-N 1 2 372.469 2.352 20 30 FEEDLO CCCn1c(SC[C@H](O)C[N@H+](C)CCC#N)nc2ccccc2c1=O ZINC000414102173 559149265 /nfs/dbraw/zinc/14/92/65/559149265.db2.gz VDUZUTRLXDJLPY-CQSZACIVSA-N 1 2 360.483 2.105 20 30 FEEDLO CCCn1c(SC[C@H](O)C[N@@H+](C)CCC#N)nc2ccccc2c1=O ZINC000414102173 559149267 /nfs/dbraw/zinc/14/92/67/559149267.db2.gz VDUZUTRLXDJLPY-CQSZACIVSA-N 1 2 360.483 2.105 20 30 FEEDLO CC(=O)c1ccc(Br)cc1OC[C@H](O)C[N@H+](C)CCC#N ZINC000414144165 559150609 /nfs/dbraw/zinc/15/06/09/559150609.db2.gz OGUPWIMSJIBTBP-CYBMUJFWSA-N 1 2 355.232 2.237 20 30 FEEDLO CC(=O)c1ccc(Br)cc1OC[C@H](O)C[N@@H+](C)CCC#N ZINC000414144165 559150610 /nfs/dbraw/zinc/15/06/10/559150610.db2.gz OGUPWIMSJIBTBP-CYBMUJFWSA-N 1 2 355.232 2.237 20 30 FEEDLO C[N@H+](CCC#N)C[C@@H](O)CN1C(=O)CC2(CCC(C(C)(C)C)CC2)C1=O ZINC000414139403 559150660 /nfs/dbraw/zinc/15/06/60/559150660.db2.gz JINMLBMMEHNPNX-LFDOHDQPSA-N 1 2 363.502 2.174 20 30 FEEDLO C[N@@H+](CCC#N)C[C@@H](O)CN1C(=O)CC2(CCC(C(C)(C)C)CC2)C1=O ZINC000414139403 559150661 /nfs/dbraw/zinc/15/06/61/559150661.db2.gz JINMLBMMEHNPNX-LFDOHDQPSA-N 1 2 363.502 2.174 20 30 FEEDLO CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1S(=O)(=O)[C@H](C)C#N ZINC000416447144 559313437 /nfs/dbraw/zinc/31/34/37/559313437.db2.gz QYJLBJUWCGTFCR-YXJHDRRASA-N 1 2 364.515 2.164 20 30 FEEDLO CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1S(=O)(=O)[C@H](C)C#N ZINC000416447144 559313438 /nfs/dbraw/zinc/31/34/38/559313438.db2.gz QYJLBJUWCGTFCR-YXJHDRRASA-N 1 2 364.515 2.164 20 30 FEEDLO C=CCn1cc(C[NH2+]Cc2cc3c(cc2Br)OCO3)nn1 ZINC000424168458 559656533 /nfs/dbraw/zinc/65/65/33/559656533.db2.gz FUJIRQAHGAWEAZ-UHFFFAOYSA-N 1 2 351.204 2.245 20 30 FEEDLO CNc1ccc(Cl)c(C(=O)N(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000425234140 559692608 /nfs/dbraw/zinc/69/26/08/559692608.db2.gz LWNOMRHRAUIEHU-UHFFFAOYSA-N 1 2 350.850 2.070 20 30 FEEDLO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1cnn([C@@]2(C)CCS(=O)(=O)C2)c1 ZINC000425368099 559698528 /nfs/dbraw/zinc/69/85/28/559698528.db2.gz VSNBVTSZXIAGHV-KXBFYZLASA-N 1 2 372.494 2.481 20 30 FEEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cnn([C@@]2(C)CCS(=O)(=O)C2)c1 ZINC000425368099 559698529 /nfs/dbraw/zinc/69/85/29/559698529.db2.gz VSNBVTSZXIAGHV-KXBFYZLASA-N 1 2 372.494 2.481 20 30 FEEDLO CC[C@@H](C(=O)N(C)CCOCc1ccc(C#N)cc1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000426040784 559728240 /nfs/dbraw/zinc/72/82/40/559728240.db2.gz XQZLRNPVEVTKBX-PMACEKPBSA-N 1 2 373.497 2.423 20 30 FEEDLO CC[C@@H](C(=O)N(C)CCOCc1ccc(C#N)cc1)[N@H+]1CCO[C@@H](CC)C1 ZINC000426040784 559728241 /nfs/dbraw/zinc/72/82/41/559728241.db2.gz XQZLRNPVEVTKBX-PMACEKPBSA-N 1 2 373.497 2.423 20 30 FEEDLO C=CC[C@@H](C(=O)N1CC[C@@H](OCC[NH+]2CCOCC2)C1)c1ccccc1 ZINC000427756707 559761749 /nfs/dbraw/zinc/76/17/49/559761749.db2.gz XAWCJFZEDVQDFJ-WOJBJXKFSA-N 1 2 358.482 2.296 20 30 FEEDLO Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)NCC2(CC#N)CC2)cc1 ZINC000430185000 559815033 /nfs/dbraw/zinc/81/50/33/559815033.db2.gz HSYIHZPBJJXFLQ-GOSISDBHSA-N 1 2 356.470 2.361 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)CO[C@@H]1CCCc2ccccc21 ZINC000431956699 559849319 /nfs/dbraw/zinc/84/93/19/559849319.db2.gz UZLIAXFSSRACTD-HXUWFJFHSA-N 1 2 371.481 2.155 20 30 FEEDLO CN(Cc1[nH+]ccn1C)C(=O)NC1CCC(Oc2ncccc2C#N)CC1 ZINC000527352488 562286211 /nfs/dbraw/zinc/28/62/11/562286211.db2.gz ZCFLBFMQVHTCGJ-UHFFFAOYSA-N 1 2 368.441 2.218 20 30 FEEDLO Cc1cc(NS(=O)(=O)c2cc(C#N)ccc2C)n(C2CC[NH+](C)CC2)n1 ZINC000432367755 559857472 /nfs/dbraw/zinc/85/74/72/559857472.db2.gz IVRAQVPUYQFELH-UHFFFAOYSA-N 1 2 373.482 2.439 20 30 FEEDLO C=CCNc1ncc(C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)s1 ZINC000433172085 559872955 /nfs/dbraw/zinc/87/29/55/559872955.db2.gz DDSOTZWLCBDKGT-UHFFFAOYSA-N 1 2 357.483 3.056 20 30 FEEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2Cl)CCN1c1nccn2cnnc12 ZINC000439453163 559994246 /nfs/dbraw/zinc/99/42/46/559994246.db2.gz KIRRMDAWQZIHHG-CYBMUJFWSA-N 1 2 367.844 2.360 20 30 FEEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2Cl)CCN1c1nccn2cnnc12 ZINC000439453163 559994247 /nfs/dbraw/zinc/99/42/47/559994247.db2.gz KIRRMDAWQZIHHG-CYBMUJFWSA-N 1 2 367.844 2.360 20 30 FEEDLO C=CC[N@@H+](CCC(=O)Nc1cccc(F)c1C)[C@H]1CCS(=O)(=O)C1 ZINC000440295981 560008235 /nfs/dbraw/zinc/00/82/35/560008235.db2.gz KJXGVQQPXYXPKH-AWEZNQCLSA-N 1 2 354.447 2.138 20 30 FEEDLO C=CC[N@H+](CCC(=O)Nc1cccc(F)c1C)[C@H]1CCS(=O)(=O)C1 ZINC000440295981 560008236 /nfs/dbraw/zinc/00/82/36/560008236.db2.gz KJXGVQQPXYXPKH-AWEZNQCLSA-N 1 2 354.447 2.138 20 30 FEEDLO Cc1cc(F)cc2c1ncc(C#N)c2NCC[N@H+]1CCN(C)C(C)(C)C1 ZINC000440668821 560015861 /nfs/dbraw/zinc/01/58/61/560015861.db2.gz RXCXIEVLBIRION-UHFFFAOYSA-N 1 2 355.461 2.414 20 30 FEEDLO Cc1cc(F)cc2c1ncc(C#N)c2NCC[N@@H+]1CCN(C)C(C)(C)C1 ZINC000440668821 560015862 /nfs/dbraw/zinc/01/58/62/560015862.db2.gz RXCXIEVLBIRION-UHFFFAOYSA-N 1 2 355.461 2.414 20 30 FEEDLO CC(C)(C)OC(=O)C[NH2+][C@@]1(C)CCN(C(=O)c2ccc(CC#N)cc2)C1 ZINC000442814075 560058064 /nfs/dbraw/zinc/05/80/64/560058064.db2.gz CKYHGBWAKYNXPC-FQEVSTJZSA-N 1 2 357.454 2.289 20 30 FEEDLO CC(C)(C)OC(=O)C[NH2+][C@@]1(C)CCN(C(=O)c2cccc(CC#N)c2)C1 ZINC000442813960 560058125 /nfs/dbraw/zinc/05/81/25/560058125.db2.gz AHHIBQNGFAXHDW-FQEVSTJZSA-N 1 2 357.454 2.289 20 30 FEEDLO C[NH+](C)[C@H](CNS(=O)(=O)c1cccc(Cl)c1C#N)c1ccco1 ZINC000443100728 560070785 /nfs/dbraw/zinc/07/07/85/560070785.db2.gz GRBBACAILCDZRR-CYBMUJFWSA-N 1 2 353.831 2.386 20 30 FEEDLO C=CC(C)(C)C(=O)Nc1cccc(S(=O)(=O)N2CC[NH+](CC)CC2)c1 ZINC000448630905 560192816 /nfs/dbraw/zinc/19/28/16/560192816.db2.gz STLNBGBTJUWQNB-UHFFFAOYSA-N 1 2 365.499 2.164 20 30 FEEDLO C[C@@H](c1nc(-c2ccccc2)no1)[NH+]1CCN(c2nccc(C#N)n2)CC1 ZINC000450240624 560255196 /nfs/dbraw/zinc/25/51/96/560255196.db2.gz IOWITPMEYLISLG-AWEZNQCLSA-N 1 2 361.409 2.281 20 30 FEEDLO CN(C)c1ccc(CNS(=O)(=O)c2ccc(CC#N)cc2Cl)c[nH+]1 ZINC000451043705 560284353 /nfs/dbraw/zinc/28/43/53/560284353.db2.gz UGKSQLFSNAQBMR-UHFFFAOYSA-N 1 2 364.858 2.346 20 30 FEEDLO Cc1sc(NC(=O)C[N@@H+]2CC[C@@H]([C@@H](O)C(F)(F)F)C2)c(C#N)c1C ZINC000451883432 560334390 /nfs/dbraw/zinc/33/43/90/560334390.db2.gz FAMSRBUQTNZZLC-ZWNOBZJWSA-N 1 2 361.389 2.420 20 30 FEEDLO Cc1sc(NC(=O)C[N@H+]2CC[C@@H]([C@@H](O)C(F)(F)F)C2)c(C#N)c1C ZINC000451883432 560334391 /nfs/dbraw/zinc/33/43/91/560334391.db2.gz FAMSRBUQTNZZLC-ZWNOBZJWSA-N 1 2 361.389 2.420 20 30 FEEDLO CCOc1cccc(C[N@H+](CCO)CC(=O)Nc2ccc(C#N)cc2)c1 ZINC000452046563 560347613 /nfs/dbraw/zinc/34/76/13/560347613.db2.gz LBRFBQAMDQRERV-UHFFFAOYSA-N 1 2 353.422 2.390 20 30 FEEDLO CCOc1cccc(C[N@@H+](CCO)CC(=O)Nc2ccc(C#N)cc2)c1 ZINC000452046563 560347614 /nfs/dbraw/zinc/34/76/14/560347614.db2.gz LBRFBQAMDQRERV-UHFFFAOYSA-N 1 2 353.422 2.390 20 30 FEEDLO COc1c(C)c[nH+]c(CN(C)C(=O)C(=O)Nc2cc(C)cc(C#N)c2)c1C ZINC000453686310 560396612 /nfs/dbraw/zinc/39/66/12/560396612.db2.gz HQKHLXYIRABVKN-UHFFFAOYSA-N 1 2 366.421 2.484 20 30 FEEDLO N#Cc1ncc(NC(=O)N2CC[NH+](Cc3ccccn3)CC2)cc1Cl ZINC000455764010 560494160 /nfs/dbraw/zinc/49/41/60/560494160.db2.gz QEUKXSBQCJCOTR-UHFFFAOYSA-N 1 2 356.817 2.351 20 30 FEEDLO Cc1cc(C#N)cc(NC(=O)N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)c1 ZINC000455979841 560503160 /nfs/dbraw/zinc/50/31/60/560503160.db2.gz DYUTXBPKIFTCFR-MRXNPFEDSA-N 1 2 369.469 2.027 20 30 FEEDLO Cc1cc(C#N)cc(NC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)c1 ZINC000456000953 560504102 /nfs/dbraw/zinc/50/41/02/560504102.db2.gz LNSXMQYIASWUAC-GOSISDBHSA-N 1 2 360.483 2.196 20 30 FEEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)C(C)(C)Cc1ccc(C#N)cc1 ZINC000456054484 560505574 /nfs/dbraw/zinc/50/55/74/560505574.db2.gz KXZVDGOUENGWEG-QFBILLFUSA-N 1 2 355.482 2.449 20 30 FEEDLO C=CCC[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(=O)OCC ZINC000456636141 560526661 /nfs/dbraw/zinc/52/66/61/560526661.db2.gz XRLSDUDRWZWOFX-AWEZNQCLSA-N 1 2 372.381 2.408 20 30 FEEDLO Cc1cc(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)ncc1C#N ZINC000457419334 560565737 /nfs/dbraw/zinc/56/57/37/560565737.db2.gz NDUOQSBTEZAGAG-IBGZPJMESA-N 1 2 350.422 2.065 20 30 FEEDLO C[C@H]1CCC[C@H](C)[NH+]1CCNS(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000467154692 560905206 /nfs/dbraw/zinc/90/52/06/560905206.db2.gz ZTTPLMLPRGHERJ-RYUDHWBXSA-N 1 2 357.426 2.378 20 30 FEEDLO CSc1[nH]c(=O)c(C(=O)NCc2ccc(CC[NH+](C)C)cc2)cc1C#N ZINC000469488902 560956206 /nfs/dbraw/zinc/95/62/06/560956206.db2.gz YQOOJGRHSMENNK-UHFFFAOYSA-N 1 2 370.478 2.415 20 30 FEEDLO C[C@H](C(=O)N(C)CCC#N)[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000471004247 560996314 /nfs/dbraw/zinc/99/63/14/560996314.db2.gz HIWAWVVWMVTTLW-QAPCUYQASA-N 1 2 373.888 2.283 20 30 FEEDLO N#C[C@@H](c1cccc(Cl)c1)N1CC[NH+](CCN2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000471024951 560996697 /nfs/dbraw/zinc/99/66/97/560996697.db2.gz GLWIKTWIXINZCF-ZCNNSNEGSA-N 1 2 374.916 2.385 20 30 FEEDLO COC(=O)C[C@@H]1CSCC[N@@H+]1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000471210631 561000521 /nfs/dbraw/zinc/00/05/21/561000521.db2.gz ARFIEOGXYPCTET-CYBMUJFWSA-N 1 2 367.858 2.131 20 30 FEEDLO COC(=O)C[C@@H]1CSCC[N@H+]1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000471210631 561000522 /nfs/dbraw/zinc/00/05/22/561000522.db2.gz ARFIEOGXYPCTET-CYBMUJFWSA-N 1 2 367.858 2.131 20 30 FEEDLO Cc1nn(C)c(N2CC[NH+](CCC(=O)c3ccc(C)cc3)CC2)c1C#N ZINC000472164081 561020038 /nfs/dbraw/zinc/02/00/38/561020038.db2.gz RYTFLXKQEGEQHT-UHFFFAOYSA-N 1 2 351.454 2.304 20 30 FEEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1ccccc1C#Cc1ccccc1 ZINC000473263105 561045823 /nfs/dbraw/zinc/04/58/23/561045823.db2.gz KLEMEHRHBSMOEB-KRWDZBQOSA-N 1 2 372.428 2.426 20 30 FEEDLO N#Cc1ccnc(N2CC[NH+]([C@@H]3CCN(C4CCCCC4)C3=O)CC2)c1 ZINC000528351516 562324214 /nfs/dbraw/zinc/32/42/14/562324214.db2.gz PDLQJSRYTMYJTD-GOSISDBHSA-N 1 2 353.470 2.009 20 30 FEEDLO N#Cc1ccccc1OC[C@H](O)C[NH+]1CC(O)(c2ccc(Cl)cc2)C1 ZINC000528494414 562332283 /nfs/dbraw/zinc/33/22/83/562332283.db2.gz SYRYYEHFLFVRTG-QGZVFWFLSA-N 1 2 358.825 2.155 20 30 FEEDLO N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCNC(=O)[C@H]1CC1CCCCC1 ZINC000528526002 562334024 /nfs/dbraw/zinc/33/40/24/562334024.db2.gz HTLDENPJJXCNPK-RBUKOAKNSA-N 1 2 371.481 2.069 20 30 FEEDLO N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CCNC(=O)[C@H]1CC1CCCCC1 ZINC000528526002 562334025 /nfs/dbraw/zinc/33/40/25/562334025.db2.gz HTLDENPJJXCNPK-RBUKOAKNSA-N 1 2 371.481 2.069 20 30 FEEDLO N#Cc1cccc(CNC(=O)C[NH+]2CCN(c3cccc4[nH]ccc43)CC2)c1 ZINC000528763402 562346472 /nfs/dbraw/zinc/34/64/72/562346472.db2.gz RLESABVPBBPLMK-UHFFFAOYSA-N 1 2 373.460 2.478 20 30 FEEDLO COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2ccc(C#N)c(O)c2)cc1 ZINC000529836981 562387827 /nfs/dbraw/zinc/38/78/27/562387827.db2.gz PASKSBOMCIJBSH-QGZVFWFLSA-N 1 2 351.406 2.277 20 30 FEEDLO COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)c2ccc(C#N)c(O)c2)cc1 ZINC000529836981 562387828 /nfs/dbraw/zinc/38/78/28/562387828.db2.gz PASKSBOMCIJBSH-QGZVFWFLSA-N 1 2 351.406 2.277 20 30 FEEDLO N#Cc1ccc(C2(NC(=O)[C@@H]3CCc4[nH+]c[nH]c4C3)CCOCC2)cc1 ZINC000530060649 562396439 /nfs/dbraw/zinc/39/64/39/562396439.db2.gz NEPPPDXYWZPETQ-OAHLLOKOSA-N 1 2 350.422 2.208 20 30 FEEDLO N#Cc1ccc(C2(NC(=O)[C@@H]3CCc4[nH]c[nH+]c4C3)CCOCC2)cc1 ZINC000530060649 562396440 /nfs/dbraw/zinc/39/64/40/562396440.db2.gz NEPPPDXYWZPETQ-OAHLLOKOSA-N 1 2 350.422 2.208 20 30 FEEDLO N#Cc1ccc(C2(NC(=O)[C@@H]3CCn4c[nH+]cc4C3)CCOCC2)cc1 ZINC000530061304 562396534 /nfs/dbraw/zinc/39/65/34/562396534.db2.gz SUVJBIXEEOXKKR-MRXNPFEDSA-N 1 2 350.422 2.139 20 30 FEEDLO N#CCC1(O)CN(C(=O)[C@H](c2c(F)cccc2Cl)[NH+]2CCCCC2)C1 ZINC000530297688 562405917 /nfs/dbraw/zinc/40/59/17/562405917.db2.gz HLMADMYVWDXITR-INIZCTEOSA-N 1 2 365.836 2.493 20 30 FEEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)C1=O ZINC000531700483 562454296 /nfs/dbraw/zinc/45/42/96/562454296.db2.gz GXUIRXRBLBLYLO-PIKUFOSFSA-N 1 2 359.514 2.179 20 30 FEEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)C1=O ZINC000531700483 562454297 /nfs/dbraw/zinc/45/42/97/562454297.db2.gz GXUIRXRBLBLYLO-PIKUFOSFSA-N 1 2 359.514 2.179 20 30 FEEDLO N#Cc1ccc([C@@H](C(N)=O)[NH+]2CCC(NC(=O)CC3CCCC3)CC2)cc1 ZINC000532554594 562481259 /nfs/dbraw/zinc/48/12/59/562481259.db2.gz VMMGLDSAXFZBQM-FQEVSTJZSA-N 1 2 368.481 2.246 20 30 FEEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H](C)c1nnc(C)o1 ZINC000541691772 562617799 /nfs/dbraw/zinc/61/77/99/562617799.db2.gz SMSCKDSCUXULAW-STQMWFEESA-N 1 2 357.414 2.373 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000556195950 674391664 /nfs/dbraw/zinc/39/16/64/674391664.db2.gz XQJONKJWOQABSU-VSZNYVQBSA-N 1 2 364.873 2.419 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000556195950 674391665 /nfs/dbraw/zinc/39/16/65/674391665.db2.gz XQJONKJWOQABSU-VSZNYVQBSA-N 1 2 364.873 2.419 20 30 FEEDLO C[NH+]1CCC(n2cc(NS(=O)(=O)c3cccc(CC#N)c3)cn2)CC1 ZINC000601979919 567894979 /nfs/dbraw/zinc/89/49/79/567894979.db2.gz SSDGPSWGYSRQNQ-UHFFFAOYSA-N 1 2 359.455 2.017 20 30 FEEDLO C[C@@H]1C[N@@H+](CC(=O)Nc2ccnn2CC2CCCCC2)C[C@H](C)N1CC#N ZINC000602865626 568008114 /nfs/dbraw/zinc/00/81/14/568008114.db2.gz UHWHZMYSTGTOAA-CALCHBBNSA-N 1 2 372.517 2.320 20 30 FEEDLO C[C@@H]1C[N@H+](CC(=O)Nc2ccnn2CC2CCCCC2)C[C@H](C)N1CC#N ZINC000602865626 568008115 /nfs/dbraw/zinc/00/81/15/568008115.db2.gz UHWHZMYSTGTOAA-CALCHBBNSA-N 1 2 372.517 2.320 20 30 FEEDLO C[N@H+](CC(=O)NCc1ccc(C(=O)N2CCCC2)cc1)[C@@H]1CCC[C@@H]1C#N ZINC000602975382 568035905 /nfs/dbraw/zinc/03/59/05/568035905.db2.gz AETOOMGBNMPNOO-RTBURBONSA-N 1 2 368.481 2.163 20 30 FEEDLO C[N@@H+](CC(=O)NCc1ccc(C(=O)N2CCCC2)cc1)[C@@H]1CCC[C@@H]1C#N ZINC000602975382 568035907 /nfs/dbraw/zinc/03/59/07/568035907.db2.gz AETOOMGBNMPNOO-RTBURBONSA-N 1 2 368.481 2.163 20 30 FEEDLO C[N@H+](CC(=O)NC1CCN(C(=O)C2CCCCC2)CC1)[C@@H]1CCC[C@@H]1C#N ZINC000602977173 568036218 /nfs/dbraw/zinc/03/62/18/568036218.db2.gz YUPCHWPFWXPTRK-IEBWSBKVSA-N 1 2 374.529 2.298 20 30 FEEDLO C[N@@H+](CC(=O)NC1CCN(C(=O)C2CCCCC2)CC1)[C@@H]1CCC[C@@H]1C#N ZINC000602977173 568036219 /nfs/dbraw/zinc/03/62/19/568036219.db2.gz YUPCHWPFWXPTRK-IEBWSBKVSA-N 1 2 374.529 2.298 20 30 FEEDLO C[N@H+](CC(=O)NCc1ccccc1CN1CCCC1=O)[C@@H]1CCC[C@@H]1C#N ZINC000602976355 568036234 /nfs/dbraw/zinc/03/62/34/568036234.db2.gz OKQILZXUAOKPOW-VQIMIIECSA-N 1 2 368.481 2.049 20 30 FEEDLO C[N@@H+](CC(=O)NCc1ccccc1CN1CCCC1=O)[C@@H]1CCC[C@@H]1C#N ZINC000602976355 568036236 /nfs/dbraw/zinc/03/62/36/568036236.db2.gz OKQILZXUAOKPOW-VQIMIIECSA-N 1 2 368.481 2.049 20 30 FEEDLO CC(=O)Nc1ccc(S(=O)(=O)CCC[N@@H+](C)[C@H]2CCC[C@H]2C#N)cc1 ZINC000602977337 568036337 /nfs/dbraw/zinc/03/63/37/568036337.db2.gz ACGZOPQVUVQXOI-YJBOKZPZSA-N 1 2 363.483 2.433 20 30 FEEDLO CC(=O)Nc1ccc(S(=O)(=O)CCC[N@H+](C)[C@H]2CCC[C@H]2C#N)cc1 ZINC000602977337 568036339 /nfs/dbraw/zinc/03/63/39/568036339.db2.gz ACGZOPQVUVQXOI-YJBOKZPZSA-N 1 2 363.483 2.433 20 30 FEEDLO CCN(CC(F)(F)F)C(=O)C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000602823388 568045728 /nfs/dbraw/zinc/04/57/28/568045728.db2.gz KKDHOWRCPBZYOV-UHFFFAOYSA-N 1 2 354.376 2.350 20 30 FEEDLO C[N@@H+]1CCc2c(cccc2S(=O)(=O)N(CCC#N)Cc2ccccn2)C1 ZINC000603280742 568082413 /nfs/dbraw/zinc/08/24/13/568082413.db2.gz PBIBOCNQECZLIA-UHFFFAOYSA-N 1 2 370.478 2.174 20 30 FEEDLO C[N@H+]1CCc2c(cccc2S(=O)(=O)N(CCC#N)Cc2ccccn2)C1 ZINC000603280742 568082414 /nfs/dbraw/zinc/08/24/14/568082414.db2.gz PBIBOCNQECZLIA-UHFFFAOYSA-N 1 2 370.478 2.174 20 30 FEEDLO CCN1CCN(c2ncc(Br)cc2C#N)C[C@H]1c1[nH]cc[nH+]1 ZINC000568956792 568255834 /nfs/dbraw/zinc/25/58/34/568255834.db2.gz QJKCADCWUPSUJA-ZDUSSCGKSA-N 1 2 361.247 2.322 20 30 FEEDLO N#Cc1ccc(C(=O)Nc2ccc3c(c2)C[N@H+](CC(N)=O)CC3)cc1Cl ZINC000569432144 568402089 /nfs/dbraw/zinc/40/20/89/568402089.db2.gz VBMNUNQGOHCAMZ-UHFFFAOYSA-N 1 2 368.824 2.307 20 30 FEEDLO N#Cc1ccc(C(=O)Nc2ccc3c(c2)C[N@@H+](CC(N)=O)CC3)cc1Cl ZINC000569432144 568402090 /nfs/dbraw/zinc/40/20/90/568402090.db2.gz VBMNUNQGOHCAMZ-UHFFFAOYSA-N 1 2 368.824 2.307 20 30 FEEDLO C[N@@H+]1CCN(C(=O)CCCCCC#N)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000807078341 674403986 /nfs/dbraw/zinc/40/39/86/674403986.db2.gz QBXWZRBGLJIBJN-OAHLLOKOSA-N 1 2 352.479 2.128 20 30 FEEDLO C[N@H+]1CCN(C(=O)CCCCCC#N)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000807078341 674403987 /nfs/dbraw/zinc/40/39/87/674403987.db2.gz QBXWZRBGLJIBJN-OAHLLOKOSA-N 1 2 352.479 2.128 20 30 FEEDLO COC(=O)c1cccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](CO)C2)c1C#N ZINC000556829118 674423091 /nfs/dbraw/zinc/42/30/91/674423091.db2.gz XFXGNGCEIXEXRX-SWLSCSKDSA-N 1 2 356.344 2.338 20 30 FEEDLO COC(=O)c1cccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](CO)C2)c1C#N ZINC000556829118 674423093 /nfs/dbraw/zinc/42/30/93/674423093.db2.gz XFXGNGCEIXEXRX-SWLSCSKDSA-N 1 2 356.344 2.338 20 30 FEEDLO N#Cc1ccc(F)c(C[NH+]2CCN(c3ccccc3-c3nn[nH]n3)CC2)c1 ZINC000737717158 598253987 /nfs/dbraw/zinc/25/39/87/598253987.db2.gz ADONWRFSGKPPPA-UHFFFAOYSA-N 1 2 363.400 2.200 20 30 FEEDLO C=CCC(CC=C)C(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000819734279 606916243 /nfs/dbraw/zinc/91/62/43/606916243.db2.gz KTWCMKGPZUYTHF-UHFFFAOYSA-N 1 2 366.469 2.279 20 30 FEEDLO C[N@H+]1CCN(S(=O)(=O)c2ccccc2C#N)C[C@@H]1Cc1ccccc1 ZINC000560071215 674566648 /nfs/dbraw/zinc/56/66/48/674566648.db2.gz QIHMEAKAJXGOGR-SFHVURJKSA-N 1 2 355.463 2.106 20 30 FEEDLO C[N@@H+]1CCN(S(=O)(=O)c2ccccc2C#N)C[C@@H]1Cc1ccccc1 ZINC000560071215 674566647 /nfs/dbraw/zinc/56/66/47/674566647.db2.gz QIHMEAKAJXGOGR-SFHVURJKSA-N 1 2 355.463 2.106 20 30 FEEDLO C[S@@](=O)CC[NH+]1CCN(Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000811466239 674606652 /nfs/dbraw/zinc/60/66/52/674606652.db2.gz PDTKDTKNVUADDT-XMMPIXPASA-N 1 2 359.417 2.073 20 30 FEEDLO CC(=O)NCC[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)Cc1ccc(C)s1 ZINC000563458859 674891741 /nfs/dbraw/zinc/89/17/41/674891741.db2.gz REFADNCDJMZXRK-GOSISDBHSA-N 1 2 364.515 2.049 20 30 FEEDLO CC(=O)NCC[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)Cc1ccc(C)s1 ZINC000563458859 674891745 /nfs/dbraw/zinc/89/17/45/674891745.db2.gz REFADNCDJMZXRK-GOSISDBHSA-N 1 2 364.515 2.049 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000052909317 670319411 /nfs/dbraw/zinc/31/94/11/670319411.db2.gz PODJKQNONMDDAS-GOSISDBHSA-N 1 2 352.479 2.030 20 30 FEEDLO CC[C@@H]1CN(S(=O)(=O)c2ccc(C#N)o2)CC[N@@H+]1Cc1ccccc1 ZINC000565126501 675096391 /nfs/dbraw/zinc/09/63/91/675096391.db2.gz XAOGKSMSYJYAER-MRXNPFEDSA-N 1 2 359.451 2.436 20 30 FEEDLO CC[C@@H]1CN(S(=O)(=O)c2ccc(C#N)o2)CC[N@H+]1Cc1ccccc1 ZINC000565126501 675096393 /nfs/dbraw/zinc/09/63/93/675096393.db2.gz XAOGKSMSYJYAER-MRXNPFEDSA-N 1 2 359.451 2.436 20 30 FEEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1ccc(NC[C@@H]2CCCO2)c(F)c1 ZINC000570082297 670658521 /nfs/dbraw/zinc/65/85/21/670658521.db2.gz IAEPSWHJQBIQDU-HOTGVXAUSA-N 1 2 350.438 2.035 20 30 FEEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1ccc(NC[C@@H]2CCCO2)c(F)c1 ZINC000570082297 670658523 /nfs/dbraw/zinc/65/85/23/670658523.db2.gz IAEPSWHJQBIQDU-HOTGVXAUSA-N 1 2 350.438 2.035 20 30 FEEDLO C=CCN(C)C(=O)C(=O)N[C@H]1CC[N@@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000574478167 671244797 /nfs/dbraw/zinc/24/47/97/671244797.db2.gz WDOHWJCUWVCJKX-HOTGVXAUSA-N 1 2 367.852 2.375 20 30 FEEDLO C=CCN(C)C(=O)C(=O)N[C@H]1CC[N@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000574478167 671244798 /nfs/dbraw/zinc/24/47/98/671244798.db2.gz WDOHWJCUWVCJKX-HOTGVXAUSA-N 1 2 367.852 2.375 20 30 FEEDLO C[C@@H]1CCN(S(=O)(=O)Cc2ccc(CC#N)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000577628577 671609353 /nfs/dbraw/zinc/60/93/53/671609353.db2.gz MLAAAAKUWNLYNM-QAPCUYQASA-N 1 2 358.467 2.362 20 30 FEEDLO CN(C)S(=O)(=O)c1ccc(C(=O)/C=C/c2c[nH+]c3ccccn23)cc1 ZINC000133172389 672107288 /nfs/dbraw/zinc/10/72/88/672107288.db2.gz VGYUNBAMMSTELZ-DHZHZOJOSA-N 1 2 355.419 2.481 20 30 FEEDLO N#Cc1c(Cl)cccc1S(=O)(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000611017145 676011111 /nfs/dbraw/zinc/01/11/11/676011111.db2.gz UECYHZLWMYRRCC-GFCCVEGCSA-N 1 2 350.831 2.434 20 30 FEEDLO Cc1nc(SCC(=O)N[C@H]2CCc3c[nH+]cn3C2)c(C#N)c(C)c1C ZINC000587062747 672440255 /nfs/dbraw/zinc/44/02/55/672440255.db2.gz ZDWRLXPZMDJSNP-AWEZNQCLSA-N 1 2 355.467 2.298 20 30 FEEDLO C=CCOc1c(Br)cc(C[NH2+]Cc2cn(C)nn2)cc1OC ZINC000679932449 672537882 /nfs/dbraw/zinc/53/78/82/672537882.db2.gz FUPOZFMBUGICGW-UHFFFAOYSA-N 1 2 367.247 2.441 20 30 FEEDLO N#CC[C@]1(O)CC[N@@H+]([C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)C1 ZINC000592152425 672764780 /nfs/dbraw/zinc/76/47/80/672764780.db2.gz XNPRCQXGIYVRQT-ZBFHGGJFSA-N 1 2 353.344 2.161 20 30 FEEDLO N#CC[C@]1(O)CC[N@H+]([C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)C1 ZINC000592152425 672764782 /nfs/dbraw/zinc/76/47/82/672764782.db2.gz XNPRCQXGIYVRQT-ZBFHGGJFSA-N 1 2 353.344 2.161 20 30 FEEDLO COC[C@@H]1C[C@@H](O)C[N@@H+]1CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000593065020 672870627 /nfs/dbraw/zinc/87/06/27/672870627.db2.gz WFTYKARGJUIANC-SOUVJXGZSA-N 1 2 363.483 2.101 20 30 FEEDLO COC[C@@H]1C[C@@H](O)C[N@H+]1CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000593065020 672870630 /nfs/dbraw/zinc/87/06/30/672870630.db2.gz WFTYKARGJUIANC-SOUVJXGZSA-N 1 2 363.483 2.101 20 30 FEEDLO N#Cc1c(F)cccc1S(=O)(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000715691386 673073622 /nfs/dbraw/zinc/07/36/22/673073622.db2.gz XTRWYDACLXNECY-OAHLLOKOSA-N 1 2 359.426 2.250 20 30 FEEDLO N#Cc1c(F)cccc1S(=O)(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000715691386 673073626 /nfs/dbraw/zinc/07/36/26/673073626.db2.gz XTRWYDACLXNECY-OAHLLOKOSA-N 1 2 359.426 2.250 20 30 FEEDLO Cc1ccc2[nH+]c(CSCC(=O)N[C@@H]3CCCS(=O)(=O)C3)cn2c1 ZINC000329304312 673075169 /nfs/dbraw/zinc/07/51/69/673075169.db2.gz OGQMGTUIRNTGNC-CYBMUJFWSA-N 1 2 367.496 2.410 20 30 FEEDLO C[C@@H]1CCC[C@H](CC(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000329619563 673080419 /nfs/dbraw/zinc/08/04/19/673080419.db2.gz TZBOHVBIZSKBID-IXDOHACOSA-N 1 2 351.491 2.092 20 30 FEEDLO C#Cc1cccc(NC(=S)NC[C@@]2([NH+]3CCOCC3)CCSC2)c1 ZINC000726476457 673125725 /nfs/dbraw/zinc/12/57/25/673125725.db2.gz HEJRWVFVCPEYJE-SFHVURJKSA-N 1 2 361.536 2.162 20 30 FEEDLO C#CCNC(=O)C[N@H+]1CCC[C@@H]1c1ccccc1I ZINC000733795986 673438213 /nfs/dbraw/zinc/43/82/13/673438213.db2.gz WTMQERYKQDWUEL-CQSZACIVSA-N 1 2 368.218 2.178 20 30 FEEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@H]1c1ccccc1I ZINC000733795986 673438214 /nfs/dbraw/zinc/43/82/14/673438214.db2.gz WTMQERYKQDWUEL-CQSZACIVSA-N 1 2 368.218 2.178 20 30 FEEDLO N#Cc1cc(O)cc(C(=O)N(CCn2cc[nH+]c2)C2CCSCC2)c1 ZINC000597641008 673495377 /nfs/dbraw/zinc/49/53/77/673495377.db2.gz OCYUVEWKEONDEA-UHFFFAOYSA-N 1 2 356.451 2.498 20 30 FEEDLO C#CC[N@@H+](CC)[C@@H](C)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 ZINC000746456908 673879199 /nfs/dbraw/zinc/87/91/99/673879199.db2.gz RNKHABFHASPDLX-NSHDSACASA-N 1 2 353.344 2.334 20 30 FEEDLO C#CC[N@H+](CC)[C@@H](C)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 ZINC000746456908 673879201 /nfs/dbraw/zinc/87/92/01/673879201.db2.gz RNKHABFHASPDLX-NSHDSACASA-N 1 2 353.344 2.334 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)N[C@@H]2CCn3c[nH+]cc3C2)cc1C(F)(F)F ZINC000601966727 673900638 /nfs/dbraw/zinc/90/06/38/673900638.db2.gz DFBUOJWUEZWSAA-LLVKDONJSA-N 1 2 370.356 2.067 20 30 FEEDLO CO[C@@]1(C(F)(F)F)CCC[N@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000614925368 676196903 /nfs/dbraw/zinc/19/69/03/676196903.db2.gz ZUWPHSOHOAFNHT-INIZCTEOSA-N 1 2 355.360 2.218 20 30 FEEDLO CO[C@@]1(C(F)(F)F)CCC[N@@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000614925368 676196904 /nfs/dbraw/zinc/19/69/04/676196904.db2.gz ZUWPHSOHOAFNHT-INIZCTEOSA-N 1 2 355.360 2.218 20 30 FEEDLO CCN(CC(F)(F)F)C(=O)C[N@H+](CCOC)Cc1ccc(C#N)cc1 ZINC000602766398 673910858 /nfs/dbraw/zinc/91/08/58/673910858.db2.gz ROPAQWWOHTYUDC-UHFFFAOYSA-N 1 2 357.376 2.417 20 30 FEEDLO CCN(CC(F)(F)F)C(=O)C[N@@H+](CCOC)Cc1ccc(C#N)cc1 ZINC000602766398 673910862 /nfs/dbraw/zinc/91/08/62/673910862.db2.gz ROPAQWWOHTYUDC-UHFFFAOYSA-N 1 2 357.376 2.417 20 30 FEEDLO N#CC1(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)CCSCC1 ZINC000828233777 675808335 /nfs/dbraw/zinc/80/83/35/675808335.db2.gz ILKKUHZERMNVAN-UHFFFAOYSA-N 1 2 362.524 2.288 20 30 FEEDLO CC#CC[NH2+]Cc1cn(CC(=O)N[C@H](c2cccs2)C(C)(C)C)nn1 ZINC000641007649 677193152 /nfs/dbraw/zinc/19/31/52/677193152.db2.gz XBLJQLKZTDRJOT-QGZVFWFLSA-N 1 2 359.499 2.356 20 30 FEEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN(c2ccc(Br)cc2)CC1 ZINC000661577204 678506565 /nfs/dbraw/zinc/50/65/65/678506565.db2.gz WBBMMRUWHGPLTB-ZDUSSCGKSA-N 1 2 352.276 2.262 20 30 FEEDLO C=CCn1c([C@@H]2C[N@H+](C)C[C@H](C)O2)nnc1N(C[C@H](C)OC)C(C)C ZINC000669013253 679215152 /nfs/dbraw/zinc/21/51/52/679215152.db2.gz YCYZONLSSNQODY-JYJNAYRXSA-N 1 2 351.495 2.105 20 30 FEEDLO C=CCn1c([C@@H]2C[N@@H+](C)C[C@H](C)O2)nnc1N(C[C@H](C)OC)C(C)C ZINC000669013253 679215154 /nfs/dbraw/zinc/21/51/54/679215154.db2.gz YCYZONLSSNQODY-JYJNAYRXSA-N 1 2 351.495 2.105 20 30 FEEDLO Cc1cc(=O)oc2cc(OC[C@@H](O)C[N@H+](C)CCC#N)c(Cl)cc12 ZINC000840752139 680840724 /nfs/dbraw/zinc/84/07/24/680840724.db2.gz AWGUJVMVAWBEOR-LBPRGKRZSA-N 1 2 350.802 2.340 20 30 FEEDLO Cc1cc(=O)oc2cc(OC[C@@H](O)C[N@@H+](C)CCC#N)c(Cl)cc12 ZINC000840752139 680840726 /nfs/dbraw/zinc/84/07/26/680840726.db2.gz AWGUJVMVAWBEOR-LBPRGKRZSA-N 1 2 350.802 2.340 20 30 FEEDLO CN(C)c1ccc(-n2ccnc2SC[C@H](O)C[N@H+](C)CCC#N)cc1 ZINC000840757116 680841182 /nfs/dbraw/zinc/84/11/82/680841182.db2.gz KPXZIZJNVAVTBL-QGZVFWFLSA-N 1 2 359.499 2.237 20 30 FEEDLO CN(C)c1ccc(-n2ccnc2SC[C@H](O)C[N@@H+](C)CCC#N)cc1 ZINC000840757116 680841184 /nfs/dbraw/zinc/84/11/84/680841184.db2.gz KPXZIZJNVAVTBL-QGZVFWFLSA-N 1 2 359.499 2.237 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2c(C)nn(C)c2Cl)C1 ZINC001014458774 680036216 /nfs/dbraw/zinc/03/62/16/680036216.db2.gz IXYBJDPJAXILMI-FMKPAKJESA-N 1 2 366.893 2.054 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2c(C)nn(C)c2Cl)C1 ZINC001014458774 680036221 /nfs/dbraw/zinc/03/62/21/680036221.db2.gz IXYBJDPJAXILMI-FMKPAKJESA-N 1 2 366.893 2.054 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2c(C)nn(C)c2Cl)C1 ZINC001015827884 680053162 /nfs/dbraw/zinc/05/31/62/680053162.db2.gz WCHHKXVOQBJZGI-YCPHGPKFSA-N 1 2 366.893 2.054 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](Cc2c(C)nn(C)c2Cl)C1 ZINC001015827884 680053169 /nfs/dbraw/zinc/05/31/69/680053169.db2.gz WCHHKXVOQBJZGI-YCPHGPKFSA-N 1 2 366.893 2.054 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nncs1 ZINC001021407210 680155099 /nfs/dbraw/zinc/15/50/99/680155099.db2.gz HWTFYHSLBNKIHB-GJLQCQLHSA-N 1 2 362.499 2.131 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nncs1 ZINC001021407210 680155101 /nfs/dbraw/zinc/15/51/01/680155101.db2.gz HWTFYHSLBNKIHB-GJLQCQLHSA-N 1 2 362.499 2.131 20 30 FEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]Cc1cnsn1 ZINC001025109191 680313771 /nfs/dbraw/zinc/31/37/71/680313771.db2.gz RQXSOESUGNZMFR-ULQDDVLXSA-N 1 2 364.515 2.380 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]([N@H+](C)CC(=C)Br)C1 ZINC001027584493 680359983 /nfs/dbraw/zinc/35/99/83/680359983.db2.gz NHKXYAWSYYCCFB-KFWWJZLASA-N 1 2 357.292 2.409 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]([N@@H+](C)CC(=C)Br)C1 ZINC001027584493 680359986 /nfs/dbraw/zinc/35/99/86/680359986.db2.gz NHKXYAWSYYCCFB-KFWWJZLASA-N 1 2 357.292 2.409 20 30 FEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@H](C[N@@H+](C)Cc2nncs2)C1 ZINC001029861839 680393758 /nfs/dbraw/zinc/39/37/58/680393758.db2.gz HVQGJPYOKXFJGL-VYDXJSESSA-N 1 2 364.515 2.190 20 30 FEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@H](C[N@H+](C)Cc2nncs2)C1 ZINC001029861839 680393762 /nfs/dbraw/zinc/39/37/62/680393762.db2.gz HVQGJPYOKXFJGL-VYDXJSESSA-N 1 2 364.515 2.190 20 30 FEEDLO C=C(Br)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001033911688 680428319 /nfs/dbraw/zinc/42/83/19/680428319.db2.gz SSOSDUXQGRTILS-RDGWLKQMSA-N 1 2 369.303 2.241 20 30 FEEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001033911688 680428320 /nfs/dbraw/zinc/42/83/20/680428320.db2.gz SSOSDUXQGRTILS-RDGWLKQMSA-N 1 2 369.303 2.241 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2nnsc2Cl)CC1 ZINC001034737168 680438781 /nfs/dbraw/zinc/43/87/81/680438781.db2.gz SOUISEGVRDKKTQ-BYNQJWBRSA-N 1 2 370.906 2.300 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1=CC[N@H+](Cc2snnc2C)CC1 ZINC001001255667 680455935 /nfs/dbraw/zinc/45/59/35/680455935.db2.gz DFOBWPYIUUONJB-RDJZCZTQSA-N 1 2 362.499 2.076 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1=CC[N@@H+](Cc2snnc2C)CC1 ZINC001001255667 680455939 /nfs/dbraw/zinc/45/59/39/680455939.db2.gz DFOBWPYIUUONJB-RDJZCZTQSA-N 1 2 362.499 2.076 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1CC[NH+](Cc2nnc(C)s2)CC1 ZINC001001409187 680460849 /nfs/dbraw/zinc/46/08/49/680460849.db2.gz UZAXDDKQROMOMK-CVEARBPZSA-N 1 2 364.515 2.156 20 30 FEEDLO C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1Nc1snc(Cl)c1C#N ZINC001043164011 680563935 /nfs/dbraw/zinc/56/39/35/680563935.db2.gz LEDGERUIOBYWEC-MWLCHTKSSA-N 1 2 364.862 2.283 20 30 FEEDLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@H](Nc2snc(Cl)c2C#N)C1 ZINC001043275516 680571167 /nfs/dbraw/zinc/57/11/67/680571167.db2.gz ZAQBIDDEIFGSJH-PRHODGIISA-N 1 2 364.862 2.201 20 30 FEEDLO N#Cc1nc(N[C@@H]2CCCC[C@H]2NC(=O)Cn2cc[nH+]c2)sc1Cl ZINC001045512409 680632857 /nfs/dbraw/zinc/63/28/57/680632857.db2.gz YSAXXVQPJIAKSJ-GHMZBOCLSA-N 1 2 364.862 2.404 20 30 FEEDLO C#CC[C@@H]1NC(=O)N([C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)C1=O ZINC000842244038 680934467 /nfs/dbraw/zinc/93/44/67/680934467.db2.gz PGROYMAITKVYII-ZBFHGGJFSA-N 1 2 363.820 2.387 20 30 FEEDLO C#CC[C@@H]1NC(=O)N([C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)C1=O ZINC000842244038 680934469 /nfs/dbraw/zinc/93/44/69/680934469.db2.gz PGROYMAITKVYII-ZBFHGGJFSA-N 1 2 363.820 2.387 20 30 FEEDLO COc1ncc(NC(=O)N2CC[NH+](Cc3ccsc3)CC2)cc1C#N ZINC000932508629 681258637 /nfs/dbraw/zinc/25/86/37/681258637.db2.gz VACZGFFZEOPRFZ-UHFFFAOYSA-N 1 2 357.439 2.373 20 30 FEEDLO Cc1sc(NC(=O)C[NH+]2CCC3(CC2)C[C@@H](O)CCO3)c(C#N)c1C ZINC000933058883 681355978 /nfs/dbraw/zinc/35/59/78/681355978.db2.gz HZINFBPCMDHFOP-AWEZNQCLSA-N 1 2 363.483 2.181 20 30 FEEDLO C#CCC[NH+]1CCN(C(=O)c2cnc(Cl)c(Br)c2)CC1 ZINC000847415691 681376063 /nfs/dbraw/zinc/37/60/63/681376063.db2.gz DLZLZKDKPNPZSU-UHFFFAOYSA-N 1 2 356.651 2.279 20 30 FEEDLO Brc1cc2c(cc1C=NNCCCn1cc[nH+]c1)OCO2 ZINC000848418730 681537054 /nfs/dbraw/zinc/53/70/54/681537054.db2.gz MNPUVEJJZJNKJP-UHFFFAOYSA-N 1 2 351.204 2.388 20 30 FEEDLO Cc1cc(C#N)cc(C)c1CS(=O)(=O)NC[C@@H]1CCn2cc[nH+]c2C1 ZINC000914403263 685506945 /nfs/dbraw/zinc/50/69/45/685506945.db2.gz DGWHJULRVJSSCX-OAHLLOKOSA-N 1 2 358.467 2.054 20 30 FEEDLO CC(C)(C#N)CS(=O)(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000914978972 685510747 /nfs/dbraw/zinc/51/07/47/685510747.db2.gz ZJFKEEYTYIQDAI-INIZCTEOSA-N 1 2 367.540 2.073 20 30 FEEDLO CC(C)(C#N)CS(=O)(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000914978972 685510748 /nfs/dbraw/zinc/51/07/48/685510748.db2.gz ZJFKEEYTYIQDAI-INIZCTEOSA-N 1 2 367.540 2.073 20 30 FEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCO[C@H]2c2ccnn2CC)C1 ZINC000969881688 682281068 /nfs/dbraw/zinc/28/10/68/682281068.db2.gz WGAUFGDCTWTDPP-FRFSOERESA-N 1 2 366.893 2.170 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](Cc2cc(F)ccc2F)C1 ZINC000970446506 682298449 /nfs/dbraw/zinc/29/84/49/682298449.db2.gz FXSYRUDWNJUINF-XZOAIXRZSA-N 1 2 350.409 2.492 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](C)C1C[NH+](Cc2csnc2OC)C1 ZINC000970569918 682308077 /nfs/dbraw/zinc/30/80/77/682308077.db2.gz FESBNVMGRTTWMR-KCXAZCMYSA-N 1 2 365.499 2.069 20 30 FEEDLO C#CCOCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C(F)(F)F)C1 ZINC000852672056 682317418 /nfs/dbraw/zinc/31/74/18/682317418.db2.gz LHTHGCFSLBPGQN-HZPDHXFCSA-N 1 2 354.372 2.173 20 30 FEEDLO C#CCOCC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C(F)(F)F)C1 ZINC000852672056 682317422 /nfs/dbraw/zinc/31/74/22/682317422.db2.gz LHTHGCFSLBPGQN-HZPDHXFCSA-N 1 2 354.372 2.173 20 30 FEEDLO N#Cc1cccc(S(=O)(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccccc2)c1 ZINC000919332510 685546374 /nfs/dbraw/zinc/54/63/74/685546374.db2.gz YSXUSJIRISMHAS-ROUUACIJSA-N 1 2 353.447 2.206 20 30 FEEDLO N#Cc1cccc(S(=O)(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccccc2)c1 ZINC000919332510 685546375 /nfs/dbraw/zinc/54/63/75/685546375.db2.gz YSXUSJIRISMHAS-ROUUACIJSA-N 1 2 353.447 2.206 20 30 FEEDLO C=C(CO)C(=O)N(CCn1cc[nH+]c1)Cc1ccccc1Br ZINC000854333578 682538276 /nfs/dbraw/zinc/53/82/76/682538276.db2.gz XLPAAMXFLRFEAC-UHFFFAOYSA-N 1 2 364.243 2.223 20 30 FEEDLO Cc1[nH+]ccn1-c1ccc(NS(=O)(=O)c2ccc(C#N)c(F)c2)cn1 ZINC000794017413 682928036 /nfs/dbraw/zinc/92/80/36/682928036.db2.gz JINPSKYIJYIRNN-UHFFFAOYSA-N 1 2 357.370 2.387 20 30 FEEDLO C#CC1(O)CC[NH+](CC(=O)Nc2ccccc2SC[C@@H](C)C#N)CC1 ZINC000931148001 683841768 /nfs/dbraw/zinc/84/17/68/683841768.db2.gz NWRQAKSGGSGCEX-HNNXBMFYSA-N 1 2 357.479 2.337 20 30 FEEDLO N#Cc1cc([N+](=O)[O-])c(NC[C@]2([NH+]3CCOCC3)CCSC2)cc1F ZINC000865460818 683985880 /nfs/dbraw/zinc/98/58/80/683985880.db2.gz UJDZMNPBRHNPNA-MRXNPFEDSA-N 1 2 366.418 2.225 20 30 FEEDLO N#CC1(CCOC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CCCCC1 ZINC000923772464 684348717 /nfs/dbraw/zinc/34/87/17/684348717.db2.gz SWXYJYJMRMMKBB-SJORKVTESA-N 1 2 350.459 2.274 20 30 FEEDLO C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc1cn(C)c[nH+]1 ZINC000868839175 684549007 /nfs/dbraw/zinc/54/90/07/684549007.db2.gz YSBWLGRHGYWTPR-ZDUSSCGKSA-N 1 2 356.854 2.115 20 30 FEEDLO C=CC1CCN(C(=O)NC2CC[NH+](CC(=O)OC(C)(C)C)CC2)CC1 ZINC000869024731 684571428 /nfs/dbraw/zinc/57/14/28/684571428.db2.gz OULFVDNBERFFBI-UHFFFAOYSA-N 1 2 351.491 2.400 20 30 FEEDLO C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000869102676 684581737 /nfs/dbraw/zinc/58/17/37/684581737.db2.gz FCOUUROWYLLSDA-GXTWGEPZSA-N 1 2 368.865 2.350 20 30 FEEDLO C[C@]1(C(F)(F)F)CC[N@@H+]([C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C1 ZINC000871598963 684832715 /nfs/dbraw/zinc/83/27/15/684832715.db2.gz FSQYLMWFBBZANR-CJNGLKHVSA-N 1 2 351.328 2.464 20 30 FEEDLO C[C@]1(C(F)(F)F)CC[N@H+]([C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C1 ZINC000871598963 684832717 /nfs/dbraw/zinc/83/27/17/684832717.db2.gz FSQYLMWFBBZANR-CJNGLKHVSA-N 1 2 351.328 2.464 20 30 FEEDLO CC#CC[NH2+]Cc1cn(C[C@@H](O)c2ccc(F)c(Br)c2)nn1 ZINC000881417798 687131700 /nfs/dbraw/zinc/13/17/00/687131700.db2.gz OLXQMLJCVGCKMP-OAHLLOKOSA-N 1 2 367.222 2.026 20 30 FEEDLO C=C(Cl)COc1ccc([C@@H](C)[NH2+]Cc2nnc3n2CCNC3=O)cc1 ZINC000883302997 687603932 /nfs/dbraw/zinc/60/39/32/687603932.db2.gz MXSRMPDBMGXTQP-GFCCVEGCSA-N 1 2 361.833 2.004 20 30 FEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000884117898 687793817 /nfs/dbraw/zinc/79/38/17/687793817.db2.gz OWVWLVQJZVCCGQ-UBHSHLNASA-N 1 2 356.344 2.124 20 30 FEEDLO CSc1ccc(CNC(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)cc1C#N ZINC000884161509 687804586 /nfs/dbraw/zinc/80/45/86/687804586.db2.gz HTDXDTORJJAOOX-UONOGXRCSA-N 1 2 362.499 2.189 20 30 FEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H](c1c(F)cccc1F)C(F)(F)F ZINC000884332368 687850711 /nfs/dbraw/zinc/85/07/11/687850711.db2.gz KYLXCZOKYYEQOK-GWCFXTLKSA-N 1 2 366.286 2.131 20 30 FEEDLO N#CC1(C[C@H](O)C[N@@H+]2CCN(Cc3ccc(Cl)cc3)C(=O)C2)CCC1 ZINC000886016586 688194276 /nfs/dbraw/zinc/19/42/76/688194276.db2.gz HQJOBSFRLNGEFL-KRWDZBQOSA-N 1 2 361.873 2.429 20 30 FEEDLO N#CC1(C[C@H](O)C[N@H+]2CCN(Cc3ccc(Cl)cc3)C(=O)C2)CCC1 ZINC000886016586 688194279 /nfs/dbraw/zinc/19/42/79/688194279.db2.gz HQJOBSFRLNGEFL-KRWDZBQOSA-N 1 2 361.873 2.429 20 30 FEEDLO C=CCC1(O)CC[NH+](CC(=O)Nc2ccc(Br)cn2)CC1 ZINC000886771450 688306269 /nfs/dbraw/zinc/30/62/69/688306269.db2.gz HZKSNSZZPULKPV-UHFFFAOYSA-N 1 2 354.248 2.186 20 30 FEEDLO N#CCCN(C(=O)C[N@H+]1CC[C@@](CO)(C(F)(F)F)C1)c1ccccc1 ZINC000886795676 688313688 /nfs/dbraw/zinc/31/36/88/688313688.db2.gz ZPKRQMLNVONODH-MRXNPFEDSA-N 1 2 355.360 2.180 20 30 FEEDLO N#CCCN(C(=O)C[N@@H+]1CC[C@@](CO)(C(F)(F)F)C1)c1ccccc1 ZINC000886795676 688313696 /nfs/dbraw/zinc/31/36/96/688313696.db2.gz ZPKRQMLNVONODH-MRXNPFEDSA-N 1 2 355.360 2.180 20 30 FEEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCN(c2ccccc2O)CC1 ZINC000016481224 539632848 /nfs/dbraw/zinc/63/28/48/539632848.db2.gz ZDBHKKDPNIIXPV-MRXNPFEDSA-N 1 2 356.470 2.245 20 30 FEEDLO Cn1cc[nH+]c1[C@H](NS(=O)(=O)c1ccc(C#N)cc1)c1ccccc1 ZINC000017521604 539642058 /nfs/dbraw/zinc/64/20/58/539642058.db2.gz LWKNQKCOFOLDRA-QGZVFWFLSA-N 1 2 352.419 2.360 20 30 FEEDLO N#Cc1ccsc1NC(=O)CCN1CC[NH+](Cc2ccccn2)CC1 ZINC000022012113 539690796 /nfs/dbraw/zinc/69/07/96/539690796.db2.gz SOBJYVKYLPOXQF-UHFFFAOYSA-N 1 2 355.467 2.161 20 30 FEEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000028693029 539835449 /nfs/dbraw/zinc/83/54/49/539835449.db2.gz HEWCCJHBWVJUFB-MRXNPFEDSA-N 1 2 350.422 2.065 20 30 FEEDLO C[C@@H](C(=O)NCCC1=CCCCC1)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000029447120 539853435 /nfs/dbraw/zinc/85/34/35/539853435.db2.gz RKKSVHWHWOBUJN-KRWDZBQOSA-N 1 2 367.497 2.470 20 30 FEEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CCCN(C(=O)c3ccccc3)CC2)c1 ZINC000029703829 539861154 /nfs/dbraw/zinc/86/11/54/539861154.db2.gz NVKBHXAHUSUTOR-UHFFFAOYSA-N 1 2 362.433 2.345 20 30 FEEDLO N#Cc1cccc(NC(=O)C[N@H+]2CCCN(C(=O)c3ccccc3)CC2)c1 ZINC000029703829 539861155 /nfs/dbraw/zinc/86/11/55/539861155.db2.gz NVKBHXAHUSUTOR-UHFFFAOYSA-N 1 2 362.433 2.345 20 30 FEEDLO C[C@H](NC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1)c1ccc(C#N)cc1 ZINC000031169741 539900623 /nfs/dbraw/zinc/90/06/23/539900623.db2.gz XMURDRXVENCTPL-KXBFYZLASA-N 1 2 374.510 2.126 20 30 FEEDLO C[C@@H](NC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1)c1ccc(C#N)cc1 ZINC000031169737 539900641 /nfs/dbraw/zinc/90/06/41/539900641.db2.gz XMURDRXVENCTPL-BEFAXECRSA-N 1 2 374.510 2.126 20 30 FEEDLO CO/N=C/c1ccc(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC000032248839 539931142 /nfs/dbraw/zinc/93/11/42/539931142.db2.gz VSHSVGJTVHOXHL-IYHCKTHZSA-N 1 2 367.449 2.298 20 30 FEEDLO CO/N=C/c1ccc(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC000032248839 539931145 /nfs/dbraw/zinc/93/11/45/539931145.db2.gz VSHSVGJTVHOXHL-IYHCKTHZSA-N 1 2 367.449 2.298 20 30 FEEDLO C[C@@H](Oc1ccccc1C#N)C(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000032823897 539954748 /nfs/dbraw/zinc/95/47/48/539954748.db2.gz QGBCVNBNHKTKEH-MRXNPFEDSA-N 1 2 350.422 2.065 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000032831967 539955031 /nfs/dbraw/zinc/95/50/31/539955031.db2.gz UZHXQOGJKJQDTJ-KXBFYZLASA-N 1 2 373.457 2.160 20 30 FEEDLO C=CCc1ccc(OCC(=O)NCC(C)(C)[NH+]2CCOCC2)c(OC)c1 ZINC000036733063 539993232 /nfs/dbraw/zinc/99/32/32/539993232.db2.gz OIFDQULRFUUQJP-UHFFFAOYSA-N 1 2 362.470 2.030 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3cccc(C(N)=O)c3)CC2)cc1 ZINC000043716777 540107642 /nfs/dbraw/zinc/10/76/42/540107642.db2.gz LCUVHZFZMOYBRS-UHFFFAOYSA-N 1 2 363.421 2.007 20 30 FEEDLO C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCN(Cc2ccc(Cl)s2)CC1 ZINC000052660177 540480419 /nfs/dbraw/zinc/48/04/19/540480419.db2.gz KOHAVDWGHWGYTE-ZDUSSCGKSA-N 1 2 354.907 2.280 20 30 FEEDLO CC(C)(C)OC(=O)NC1CC[NH+](CC(=O)Nc2cccc(C#N)c2)CC1 ZINC000052909049 540498410 /nfs/dbraw/zinc/49/84/10/540498410.db2.gz ADOVYTZUGKYVBY-UHFFFAOYSA-N 1 2 358.442 2.486 20 30 FEEDLO Cc1oc(NC(=O)[C@@H](C)[NH+]2CCC(C(=O)NC3CC3)CC2)c(C#N)c1C ZINC000055913519 540686126 /nfs/dbraw/zinc/68/61/26/540686126.db2.gz HMUBETYLQMSKRB-GFCCVEGCSA-N 1 2 358.442 2.086 20 30 FEEDLO N#Cc1cccnc1N1CCC[N@H+](Cc2nnc(-c3ccco3)o2)CC1 ZINC000064634301 541213601 /nfs/dbraw/zinc/21/36/01/541213601.db2.gz AWLFNHRXDZSWPZ-UHFFFAOYSA-N 1 2 350.382 2.309 20 30 FEEDLO N#Cc1cccnc1N1CCC[N@@H+](Cc2nnc(-c3ccco3)o2)CC1 ZINC000064634301 541213604 /nfs/dbraw/zinc/21/36/04/541213604.db2.gz AWLFNHRXDZSWPZ-UHFFFAOYSA-N 1 2 350.382 2.309 20 30 FEEDLO COc1ccc(NC(=O)C[N@@H+]2CCCN(c3ncccc3C#N)CC2)cc1 ZINC000064634454 541214236 /nfs/dbraw/zinc/21/42/36/541214236.db2.gz LVSKEXBPIIWXNW-UHFFFAOYSA-N 1 2 365.437 2.113 20 30 FEEDLO COc1ccc(NC(=O)C[N@H+]2CCCN(c3ncccc3C#N)CC2)cc1 ZINC000064634454 541214239 /nfs/dbraw/zinc/21/42/39/541214239.db2.gz LVSKEXBPIIWXNW-UHFFFAOYSA-N 1 2 365.437 2.113 20 30 FEEDLO N#Cc1ccc(NCC(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)cc1 ZINC000068351423 541580766 /nfs/dbraw/zinc/58/07/66/541580766.db2.gz IHSQBRVABZUIOO-HXUWFJFHSA-N 1 2 364.449 2.160 20 30 FEEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[NH+]1CCN(c2ccccc2O)CC1 ZINC000069055936 541653242 /nfs/dbraw/zinc/65/32/42/541653242.db2.gz RPINNBPSIWCYIM-HNNXBMFYSA-N 1 2 350.422 2.413 20 30 FEEDLO C=CC[NH+](CC=C)CC(=O)Nc1ccc(S(=O)(=O)N(CC)CC)cc1 ZINC000072590324 541835776 /nfs/dbraw/zinc/83/57/76/541835776.db2.gz SDMAKWQSAKLUJP-UHFFFAOYSA-N 1 2 365.499 2.330 20 30 FEEDLO CC[C@H]1C[N@H+](CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)CCS1 ZINC000072861295 541883608 /nfs/dbraw/zinc/88/36/08/541883608.db2.gz QDZTWCHXVPFPJU-JSGCOSHPSA-N 1 2 356.451 2.339 20 30 FEEDLO CC[C@H]1C[N@@H+](CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)CCS1 ZINC000072861295 541883611 /nfs/dbraw/zinc/88/36/11/541883611.db2.gz QDZTWCHXVPFPJU-JSGCOSHPSA-N 1 2 356.451 2.339 20 30 FEEDLO CN(Cc1cnn(C)c1)C(=O)C[N@@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000072898077 541891233 /nfs/dbraw/zinc/89/12/33/541891233.db2.gz PSMPKGHFIMVJPU-RBUKOAKNSA-N 1 2 351.454 2.150 20 30 FEEDLO CN(Cc1cnn(C)c1)C(=O)C[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000072898077 541891236 /nfs/dbraw/zinc/89/12/36/541891236.db2.gz PSMPKGHFIMVJPU-RBUKOAKNSA-N 1 2 351.454 2.150 20 30 FEEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCCN(C(=O)c2cccc(C)c2)CC1 ZINC000074161596 542045694 /nfs/dbraw/zinc/04/56/94/542045694.db2.gz CEOVRHRSFUIWJX-UHFFFAOYSA-N 1 2 355.482 2.344 20 30 FEEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCCN(C(=O)c2cccc(C)c2)CC1 ZINC000074161596 542045696 /nfs/dbraw/zinc/04/56/96/542045696.db2.gz CEOVRHRSFUIWJX-UHFFFAOYSA-N 1 2 355.482 2.344 20 30 FEEDLO COc1ccccc1C[NH+]1CCN(CC(=O)Nc2sccc2C#N)CC1 ZINC000076343174 542265828 /nfs/dbraw/zinc/26/58/28/542265828.db2.gz BFEDYWLSTYNZBN-UHFFFAOYSA-N 1 2 370.478 2.385 20 30 FEEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000077468630 542385211 /nfs/dbraw/zinc/38/52/11/542385211.db2.gz QKVHZNDMVKZGCJ-GJZGRUSLSA-N 1 2 361.515 2.448 20 30 FEEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000077468630 542385214 /nfs/dbraw/zinc/38/52/14/542385214.db2.gz QKVHZNDMVKZGCJ-GJZGRUSLSA-N 1 2 361.515 2.448 20 30 FEEDLO C[C@H](O[NH+]=C(N)c1ccc(N2CCCCC2)nc1)C(=O)N1CCCCCC1 ZINC000078696055 542476815 /nfs/dbraw/zinc/47/68/15/542476815.db2.gz UGCWXZJOVFWRMR-INIZCTEOSA-N 1 2 373.501 2.500 20 30 FEEDLO Cc1ccc([C@H](C)NC(=O)CN(CCC#N)CC[NH+]2CCOCC2)cc1C ZINC000078687823 542476855 /nfs/dbraw/zinc/47/68/55/542476855.db2.gz WMHWGXUOPZBFKX-IBGZPJMESA-N 1 2 372.513 2.029 20 30 FEEDLO C[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1nnc2n1CCC2 ZINC000079917004 542549978 /nfs/dbraw/zinc/54/99/78/542549978.db2.gz MWLVBZJGVSAZPT-UHFFFAOYSA-N 1 2 358.833 2.210 20 30 FEEDLO C[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1nnc2n1CCC2 ZINC000079917004 542549983 /nfs/dbraw/zinc/54/99/83/542549983.db2.gz MWLVBZJGVSAZPT-UHFFFAOYSA-N 1 2 358.833 2.210 20 30 FEEDLO COc1ccc(-c2cnc(CN(CCC#N)CC[NH+]3CCOCC3)o2)cc1 ZINC000081158243 542636884 /nfs/dbraw/zinc/63/68/84/542636884.db2.gz MEKXJCLDZWUQRF-UHFFFAOYSA-N 1 2 370.453 2.398 20 30 FEEDLO CC(C)CCO[C@@H]1CC[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000083246685 542695953 /nfs/dbraw/zinc/69/59/53/542695953.db2.gz STJSNPQDUSAUKU-QGZVFWFLSA-N 1 2 350.484 2.469 20 30 FEEDLO CC(C)CCO[C@@H]1CC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000083246685 542695955 /nfs/dbraw/zinc/69/59/55/542695955.db2.gz STJSNPQDUSAUKU-QGZVFWFLSA-N 1 2 350.484 2.469 20 30 FEEDLO N#Cc1ccc(F)cc1C[NH+]1CCC(Oc2ccnc(C(N)=O)c2)CC1 ZINC000093261315 542921682 /nfs/dbraw/zinc/92/16/82/542921682.db2.gz ORGGLCATAHFDGV-UHFFFAOYSA-N 1 2 354.385 2.235 20 30 FEEDLO CCO[C@@H](C)c1noc(CN2CC[NH+](Cc3cc(C#N)cs3)CC2)n1 ZINC000093753852 542939034 /nfs/dbraw/zinc/93/90/34/542939034.db2.gz VFFYMWKWLOAQMB-ZDUSSCGKSA-N 1 2 361.471 2.418 20 30 FEEDLO Cc1cc(N2CCN(c3ncccc3C#N)CC2)nc(-c2ccncc2)[nH+]1 ZINC000057825959 136130179 /nfs/dbraw/zinc/13/01/79/136130179.db2.gz KIVHGHIITUREHO-UHFFFAOYSA-N 1 2 357.421 2.440 20 30 FEEDLO C=CCOc1cccc(NC(=O)N2CCN(Cc3[nH+]ccn3C)CC2)c1 ZINC000106323452 543222770 /nfs/dbraw/zinc/22/27/70/543222770.db2.gz YEIDDNZZROAICD-UHFFFAOYSA-N 1 2 355.442 2.335 20 30 FEEDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N2CCO[C@H](C#N)C2)C[C@@H](C)O1 ZINC000106321433 543223173 /nfs/dbraw/zinc/22/31/73/543223173.db2.gz JQYYOWBGJOWMGL-BFYDXBDKSA-N 1 2 358.442 2.052 20 30 FEEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000106868705 543251720 /nfs/dbraw/zinc/25/17/20/543251720.db2.gz HURUPXUTJXIERM-HIFRSBDPSA-N 1 2 358.442 2.484 20 30 FEEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000106868705 543251721 /nfs/dbraw/zinc/25/17/21/543251721.db2.gz HURUPXUTJXIERM-HIFRSBDPSA-N 1 2 358.442 2.484 20 30 FEEDLO C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)c1ccc(C#N)cn1 ZINC000107475760 543271493 /nfs/dbraw/zinc/27/14/93/543271493.db2.gz CYVRENSZMMEKJP-KRWDZBQOSA-N 1 2 364.449 2.316 20 30 FEEDLO C=CCn1c(=O)c2ccc(C(=O)NC[C@H]3CC[N@@H+](CC)C3)cc2[nH]c1=S ZINC000107888229 543280870 /nfs/dbraw/zinc/28/08/70/543280870.db2.gz GYTXQGQZXXDSAV-CYBMUJFWSA-N 1 2 372.494 2.317 20 30 FEEDLO C=CCn1c(=O)c2ccc(C(=O)NC[C@H]3CC[N@H+](CC)C3)cc2[nH]c1=S ZINC000107888229 543280872 /nfs/dbraw/zinc/28/08/72/543280872.db2.gz GYTXQGQZXXDSAV-CYBMUJFWSA-N 1 2 372.494 2.317 20 30 FEEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH+]1CCC(CC(N)=O)CC1 ZINC000108359562 543287530 /nfs/dbraw/zinc/28/75/30/543287530.db2.gz JLZJYPBUSINUDN-CQSZACIVSA-N 1 2 374.510 2.464 20 30 FEEDLO C=CCCC(=O)NCc1ccc[nH+]c1N1CCN(C(=O)CCC=C)CC1 ZINC000111095014 543381234 /nfs/dbraw/zinc/38/12/34/543381234.db2.gz RHIPUCCLXQIGFK-UHFFFAOYSA-N 1 2 356.470 2.279 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1F ZINC000112887847 543466218 /nfs/dbraw/zinc/46/62/18/543466218.db2.gz DVQKPUYHQIHGOA-IAGOWNOFSA-N 1 2 363.408 2.143 20 30 FEEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C[C@@H](c2ccccc2)C(C)C)CC1 ZINC000112904568 543466432 /nfs/dbraw/zinc/46/64/32/543466432.db2.gz BDUCGLOIHDKTGP-HXUWFJFHSA-N 1 2 369.509 2.100 20 30 FEEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C[C@@H](c2ccccc2)C(C)C)CC1 ZINC000112904568 543466434 /nfs/dbraw/zinc/46/64/34/543466434.db2.gz BDUCGLOIHDKTGP-HXUWFJFHSA-N 1 2 369.509 2.100 20 30 FEEDLO CCCCCNC(=O)C1CC[NH+]([C@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000115535605 543571949 /nfs/dbraw/zinc/57/19/49/543571949.db2.gz TZHMHGALQZIOAQ-SFHVURJKSA-N 1 2 356.470 2.103 20 30 FEEDLO C[C@@H]([NH2+][C@H](C)c1nnnn1-c1ccccc1)C(=O)NC1(C#N)CCCCC1 ZINC000115604232 543577442 /nfs/dbraw/zinc/57/74/42/543577442.db2.gz WOHXACPFKBFQHS-HUUCEWRRSA-N 1 2 367.457 2.044 20 30 FEEDLO CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)c1 ZINC000115597281 543577621 /nfs/dbraw/zinc/57/76/21/543577621.db2.gz OWXYEIJYUOHEIB-IFXJQAMLSA-N 1 2 364.449 2.403 20 30 FEEDLO N#CCCN(C(=O)C[NH+]1CCN(c2cccc(O)c2)CC1)c1ccccc1 ZINC000120695115 543683791 /nfs/dbraw/zinc/68/37/91/543683791.db2.gz YMCMUKKQMUGMEI-UHFFFAOYSA-N 1 2 364.449 2.461 20 30 FEEDLO CCS(=O)(=O)N(C)C1CC[NH+](CC#Cc2cccc(Cl)c2)CC1 ZINC000121247778 543691679 /nfs/dbraw/zinc/69/16/79/543691679.db2.gz QHTFLIQIWODQIN-UHFFFAOYSA-N 1 2 354.903 2.437 20 30 FEEDLO C=CCCOCCNC(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000121529883 543696211 /nfs/dbraw/zinc/69/62/11/543696211.db2.gz JYPGIHICQDEPSQ-HNNXBMFYSA-N 1 2 353.488 2.013 20 30 FEEDLO Cc1[nH+]ccn1CCCCNS(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000125653619 543894244 /nfs/dbraw/zinc/89/42/44/543894244.db2.gz MODPASHPKIWFJH-UHFFFAOYSA-N 1 2 354.382 2.100 20 30 FEEDLO C[N@@H+]1CCO[C@@H]([C@H](NC(=O)c2ccc(C#N)[nH]2)c2ccc(Cl)cc2)C1 ZINC000126990258 543966927 /nfs/dbraw/zinc/96/69/27/543966927.db2.gz DWLFSUQSEOEUOA-IAGOWNOFSA-N 1 2 358.829 2.341 20 30 FEEDLO C[N@H+]1CCO[C@@H]([C@H](NC(=O)c2ccc(C#N)[nH]2)c2ccc(Cl)cc2)C1 ZINC000126990258 543966930 /nfs/dbraw/zinc/96/69/30/543966930.db2.gz DWLFSUQSEOEUOA-IAGOWNOFSA-N 1 2 358.829 2.341 20 30 FEEDLO CSc1[nH]c(=O)c(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1C#N ZINC000127647647 544005508 /nfs/dbraw/zinc/00/55/08/544005508.db2.gz VECSJJDYYMESFD-LRDDRELGSA-N 1 2 372.494 2.057 20 30 FEEDLO CSc1[nH]c(=O)c(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1C#N ZINC000127647647 544005511 /nfs/dbraw/zinc/00/55/11/544005511.db2.gz VECSJJDYYMESFD-LRDDRELGSA-N 1 2 372.494 2.057 20 30 FEEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000130037460 544136760 /nfs/dbraw/zinc/13/67/60/544136760.db2.gz CXWHNWBNBYRGFC-MRXNPFEDSA-N 1 2 365.433 2.376 20 30 FEEDLO N#Cc1ccc2[nH+]cc(CN3CCN(Cc4cccc(F)c4)C(=O)C3)n2c1 ZINC000130824697 544166331 /nfs/dbraw/zinc/16/63/31/544166331.db2.gz KULMZEKUVBYUAI-UHFFFAOYSA-N 1 2 363.396 2.189 20 30 FEEDLO O=C(C#Cc1ccc2c(c1)OCO2)Nc1ccccc1C[NH+]1CCOCC1 ZINC000134657901 544317251 /nfs/dbraw/zinc/31/72/51/544317251.db2.gz GVSAFNILBDXVKK-UHFFFAOYSA-N 1 2 364.401 2.238 20 30 FEEDLO N#Cc1ccc(C(=O)N2CC[NH+](CCOc3ccccc3Cl)CC2)[nH]1 ZINC000153556523 544791360 /nfs/dbraw/zinc/79/13/60/544791360.db2.gz KOJDTSIJBYQZGQ-UHFFFAOYSA-N 1 2 358.829 2.377 20 30 FEEDLO C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1S(=O)(=O)c1ccc(C#N)o1 ZINC000553533654 674268504 /nfs/dbraw/zinc/26/85/04/674268504.db2.gz LONOUWAYFDGVTJ-LSDHHAIUSA-N 1 2 359.451 2.435 20 30 FEEDLO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1S(=O)(=O)c1ccc(C#N)o1 ZINC000553533654 674268506 /nfs/dbraw/zinc/26/85/06/674268506.db2.gz LONOUWAYFDGVTJ-LSDHHAIUSA-N 1 2 359.451 2.435 20 30 FEEDLO COc1cc(C#N)ccc1S(=O)(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000185851052 327935616 /nfs/dbraw/zinc/93/56/16/327935616.db2.gz LJDNHTZBJMOIAX-ZFWWWQNUSA-N 1 2 360.439 2.035 20 30 FEEDLO CC[N@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1cc(C#N)n(C)c1 ZINC000191170246 328252752 /nfs/dbraw/zinc/25/27/52/328252752.db2.gz ANIQKQNDDWVYTI-UHFFFAOYSA-N 1 2 353.426 2.316 20 30 FEEDLO CC[N@@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1cc(C#N)n(C)c1 ZINC000191170246 328252753 /nfs/dbraw/zinc/25/27/53/328252753.db2.gz ANIQKQNDDWVYTI-UHFFFAOYSA-N 1 2 353.426 2.316 20 30 FEEDLO N#Cc1ccc(CN2CC[NH+](CC(=O)NCc3ccccc3)CC2)cc1F ZINC000191863843 328285718 /nfs/dbraw/zinc/28/57/18/328285718.db2.gz LGRXVUXIFDOYOK-UHFFFAOYSA-N 1 2 366.440 2.131 20 30 FEEDLO COCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000192595640 328327479 /nfs/dbraw/zinc/32/74/79/328327479.db2.gz IINFNJXVHSEIEE-FQEVSTJZSA-N 1 2 371.481 2.177 20 30 FEEDLO COCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000192595640 328327481 /nfs/dbraw/zinc/32/74/81/328327481.db2.gz IINFNJXVHSEIEE-FQEVSTJZSA-N 1 2 371.481 2.177 20 30 FEEDLO C[C@H]1CN(c2ccc(CNC(=O)Cc3ccc(C#N)cc3)c[nH+]2)C[C@H](C)O1 ZINC000194739701 328438004 /nfs/dbraw/zinc/43/80/04/328438004.db2.gz XOPFLSCRZFWJKJ-HOTGVXAUSA-N 1 2 364.449 2.426 20 30 FEEDLO N#Cc1ccc(NC(=O)C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)cc1 ZINC000063227072 324864740 /nfs/dbraw/zinc/86/47/40/324864740.db2.gz OCGRGBSGEYIOFC-UHFFFAOYSA-N 1 2 363.352 2.138 20 30 FEEDLO N#Cc1cccc(OCCCCC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)c1 ZINC000080914940 325147051 /nfs/dbraw/zinc/14/70/51/325147051.db2.gz FAOFMGCFXFXQLN-IBGZPJMESA-N 1 2 371.481 2.431 20 30 FEEDLO N#Cc1cccc(OCCCCC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)c1 ZINC000080914928 325147073 /nfs/dbraw/zinc/14/70/73/325147073.db2.gz FAOFMGCFXFXQLN-LJQANCHMSA-N 1 2 371.481 2.431 20 30 FEEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1ccc(N2CCCC2)nc1 ZINC000091936649 325398771 /nfs/dbraw/zinc/39/87/71/325398771.db2.gz DPNPMGXWPGRRGX-INIZCTEOSA-N 1 2 363.469 2.054 20 30 FEEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1ccc(N2CCCC2)nc1 ZINC000091936649 325398773 /nfs/dbraw/zinc/39/87/73/325398773.db2.gz DPNPMGXWPGRRGX-INIZCTEOSA-N 1 2 363.469 2.054 20 30 FEEDLO Cc1nc(CN2CCN(Cc3c[nH+]c4ccc(C#N)cn34)CC2)oc1C ZINC000093055985 325432706 /nfs/dbraw/zinc/43/27/06/325432706.db2.gz KBEDNBOQUOJXEE-UHFFFAOYSA-N 1 2 350.426 2.129 20 30 FEEDLO N#Cc1ccc(N2C(=O)C[C@@H]([NH+]3CCN(c4ccccc4)CC3)C2=O)cc1 ZINC000102936437 325502174 /nfs/dbraw/zinc/50/21/74/325502174.db2.gz DIZFFPFTLQDWJI-LJQANCHMSA-N 1 2 360.417 2.012 20 30 FEEDLO CCc1nn(C)c(Cl)c1C[NH+]1CCN(c2nnc(C)c(C)c2C#N)CC1 ZINC000110577180 325689524 /nfs/dbraw/zinc/68/95/24/325689524.db2.gz HXICALWOVSHYQM-UHFFFAOYSA-N 1 2 373.892 2.237 20 30 FEEDLO C[C@H](c1ccc(NS(=O)(=O)c2ccc(C#N)nc2)cc1)[NH+]1CCOCC1 ZINC000111994917 325749518 /nfs/dbraw/zinc/74/95/18/325749518.db2.gz UPGVCULAIYBUBM-CQSZACIVSA-N 1 2 372.450 2.147 20 30 FEEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CCC[C@@H](CO)C2)c1C#N ZINC000119867265 326207141 /nfs/dbraw/zinc/20/71/41/326207141.db2.gz ZRGUZPJUQMSQND-MRXNPFEDSA-N 1 2 370.453 2.261 20 30 FEEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CCC[C@@H](CO)C2)c1C#N ZINC000119867265 326207144 /nfs/dbraw/zinc/20/71/44/326207144.db2.gz ZRGUZPJUQMSQND-MRXNPFEDSA-N 1 2 370.453 2.261 20 30 FEEDLO C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@H]1n1cc[nH+]c1 ZINC000126598916 326491810 /nfs/dbraw/zinc/49/18/10/326491810.db2.gz OCPLCRKKZGWCTI-WBMJQRKESA-N 1 2 371.828 2.456 20 30 FEEDLO CN(CCCn1cc[nH+]c1)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000134551437 326627710 /nfs/dbraw/zinc/62/77/10/326627710.db2.gz CNZRJBFSFMPCJJ-UHFFFAOYSA-N 1 2 372.372 2.484 20 30 FEEDLO N#Cc1cc(NC(=O)C(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)ccc1Cl ZINC000151369145 326680712 /nfs/dbraw/zinc/68/07/12/326680712.db2.gz JUKAUTCFCXQTFK-HNNXBMFYSA-N 1 2 370.796 2.225 20 30 FEEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000162067354 327016179 /nfs/dbraw/zinc/01/61/79/327016179.db2.gz ACSOMZFKGIHWJC-ZDUSSCGKSA-N 1 2 356.455 2.364 20 30 FEEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000162067354 327016180 /nfs/dbraw/zinc/01/61/80/327016180.db2.gz ACSOMZFKGIHWJC-ZDUSSCGKSA-N 1 2 356.455 2.364 20 30 FEEDLO COc1ccc2c(c1)C[N@H+]([C@H]1CC(=O)N(c3ccc(C#N)cc3)C1=O)CC2 ZINC000170874169 327104262 /nfs/dbraw/zinc/10/42/62/327104262.db2.gz LVORMUOREBILNQ-IBGZPJMESA-N 1 2 361.401 2.257 20 30 FEEDLO COc1ccc2c(c1)C[N@@H+]([C@H]1CC(=O)N(c3ccc(C#N)cc3)C1=O)CC2 ZINC000170874169 327104263 /nfs/dbraw/zinc/10/42/63/327104263.db2.gz LVORMUOREBILNQ-IBGZPJMESA-N 1 2 361.401 2.257 20 30 FEEDLO CN(C)c1[nH+]cccc1CNC(=O)N1CCN(c2ccccc2C#N)CC1 ZINC000171184949 327122872 /nfs/dbraw/zinc/12/28/72/327122872.db2.gz IELVQCACKPTXBF-UHFFFAOYSA-N 1 2 364.453 2.051 20 30 FEEDLO CC(C)(CNC(=O)N(Cc1ccc(C#N)cc1)C1CC1)[NH+]1CCOCC1 ZINC000171291249 327129945 /nfs/dbraw/zinc/12/99/45/327129945.db2.gz LPYOJKZFYGDXGM-UHFFFAOYSA-N 1 2 356.470 2.343 20 30 FEEDLO C[C@H](NC(=O)N(Cc1ccc(C#N)cc1)C1CC1)[C@H](C)[NH+]1CCOCC1 ZINC000171718435 327157425 /nfs/dbraw/zinc/15/74/25/327157425.db2.gz FTSKWPQCODLFPR-HOTGVXAUSA-N 1 2 356.470 2.341 20 30 FEEDLO Cc1ccc(S(=O)(=O)NCC[N@@H+](C)Cc2ccc(C#N)cc2F)cc1 ZINC000174289636 327317733 /nfs/dbraw/zinc/31/77/33/327317733.db2.gz LBWARTOVPPAHBE-UHFFFAOYSA-N 1 2 361.442 2.416 20 30 FEEDLO Cc1ccc(S(=O)(=O)NCC[N@H+](C)Cc2ccc(C#N)cc2F)cc1 ZINC000174289636 327317734 /nfs/dbraw/zinc/31/77/34/327317734.db2.gz LBWARTOVPPAHBE-UHFFFAOYSA-N 1 2 361.442 2.416 20 30 FEEDLO N#Cc1ccnc(N2CCN(Cc3[nH+]ccn3CC(F)(F)F)CC2)c1 ZINC000264072004 328989984 /nfs/dbraw/zinc/98/99/84/328989984.db2.gz MISHRNJHUPWFBW-UHFFFAOYSA-N 1 2 350.348 2.034 20 30 FEEDLO C[C@@H](C(=O)Nc1cccc(F)c1)[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000265484856 329131958 /nfs/dbraw/zinc/13/19/58/329131958.db2.gz DZSRAQNEHVMKRW-AWEZNQCLSA-N 1 2 353.401 2.242 20 30 FEEDLO Cc1cn2cc(NC(=O)N3CCN(c4ncccc4C#N)CC3)ccc2[nH+]1 ZINC000265697247 329151127 /nfs/dbraw/zinc/15/11/27/329151127.db2.gz HCDGJRLVAPCUPS-UHFFFAOYSA-N 1 2 361.409 2.264 20 30 FEEDLO CC1(C)[C@H](NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)[C@H]2CCO[C@H]21 ZINC000265983656 329179133 /nfs/dbraw/zinc/17/91/33/329179133.db2.gz PBCBUVPVAWDYDI-GUDVDZBRSA-N 1 2 368.481 2.199 20 30 FEEDLO COc1ccccc1C[NH+]1CCN(c2ncc(C#N)cc2[N+](=O)[O-])CC1 ZINC000297142792 330196424 /nfs/dbraw/zinc/19/64/24/330196424.db2.gz NRVWZOQLPYMMSC-UHFFFAOYSA-N 1 2 353.382 2.192 20 30 FEEDLO COCC[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)[C@H]1CCCSC1 ZINC000433175986 330274948 /nfs/dbraw/zinc/27/49/48/330274948.db2.gz AQFZPLBVODPXCK-INIZCTEOSA-N 1 2 368.524 2.176 20 30 FEEDLO COCC[N@@H+](CCS(=O)(=O)c1cccc(C#N)c1)[C@H]1CCCSC1 ZINC000433175986 330274950 /nfs/dbraw/zinc/27/49/50/330274950.db2.gz AQFZPLBVODPXCK-INIZCTEOSA-N 1 2 368.524 2.176 20 30 FEEDLO C[NH+]1CCC(C#N)(NC(=O)c2cc(Br)cc3nc[nH]c32)CC1 ZINC000554564906 674324017 /nfs/dbraw/zinc/32/40/17/674324017.db2.gz BRHRKZMVWJZLBG-UHFFFAOYSA-N 1 2 362.231 2.043 20 30 FEEDLO CNC(=O)c1ccc([C@@H]2CCCC[N@@H+]2CC(=O)NC2CCOCC2)n1C ZINC000328651961 521858434 /nfs/dbraw/zinc/85/84/34/521858434.db2.gz WFHABHQVIWVFEB-INIZCTEOSA-N 1 2 362.474 2.047 20 30 FEEDLO CNC(=O)c1ccc([C@@H]2CCCC[N@H+]2CC(=O)NC2CCOCC2)n1C ZINC000328651961 521858444 /nfs/dbraw/zinc/85/84/44/521858444.db2.gz WFHABHQVIWVFEB-INIZCTEOSA-N 1 2 362.474 2.047 20 30 FEEDLO CC(C)CCC[C@H](C)NC(=O)C[N@@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000155677684 545556926 /nfs/dbraw/zinc/55/69/26/545556926.db2.gz RPOMJWRGJLLBEQ-IRXDYDNUSA-N 1 2 372.517 2.190 20 30 FEEDLO CC(C)CCC[C@H](C)NC(=O)C[N@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000155677684 545556928 /nfs/dbraw/zinc/55/69/28/545556928.db2.gz RPOMJWRGJLLBEQ-IRXDYDNUSA-N 1 2 372.517 2.190 20 30 FEEDLO CO[C@@]1(C)C[C@H]([N@H+](C)CCS(=O)(=O)c2cccc(C#N)c2)C1(C)C ZINC000156809365 545664124 /nfs/dbraw/zinc/66/41/24/545664124.db2.gz MUFLFNKJKHCAMZ-WMZOPIPTSA-N 1 2 350.484 2.467 20 30 FEEDLO CO[C@@]1(C)C[C@H]([N@@H+](C)CCS(=O)(=O)c2cccc(C#N)c2)C1(C)C ZINC000156809365 545664128 /nfs/dbraw/zinc/66/41/28/545664128.db2.gz MUFLFNKJKHCAMZ-WMZOPIPTSA-N 1 2 350.484 2.467 20 30 FEEDLO CC(C)C(=O)NCC[N@H+](C)[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000157438214 545741599 /nfs/dbraw/zinc/74/15/99/545741599.db2.gz JAMRPYWOSDETPZ-GFCCVEGCSA-N 1 2 350.850 2.243 20 30 FEEDLO CC(C)C(=O)NCC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000157438214 545741604 /nfs/dbraw/zinc/74/16/04/545741604.db2.gz JAMRPYWOSDETPZ-GFCCVEGCSA-N 1 2 350.850 2.243 20 30 FEEDLO N#CCCN(CCC#N)C(=O)C[N@H+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000157598666 545760150 /nfs/dbraw/zinc/76/01/50/545760150.db2.gz SHAXSIXGWLHJEY-QGZVFWFLSA-N 1 2 370.428 2.376 20 30 FEEDLO N#CCCN(CCC#N)C(=O)C[N@@H+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000157598666 545760157 /nfs/dbraw/zinc/76/01/57/545760157.db2.gz SHAXSIXGWLHJEY-QGZVFWFLSA-N 1 2 370.428 2.376 20 30 FEEDLO N#Cc1ccc(OC2C[NH+](C[C@@H](O)COCc3ccccc3F)C2)cc1 ZINC000158562196 545872165 /nfs/dbraw/zinc/87/21/65/545872165.db2.gz ZYDFYQAOEGBRSD-QGZVFWFLSA-N 1 2 356.397 2.338 20 30 FEEDLO COc1ccc(C[NH+]2CCN(c3ncccn3)CC2)cc1OCCCC#N ZINC000158832146 545898979 /nfs/dbraw/zinc/89/89/79/545898979.db2.gz IINMJWIKCXHVDC-UHFFFAOYSA-N 1 2 367.453 2.490 20 30 FEEDLO Cc1cccc(OCCC(=O)N(CCC#N)CC[NH+]2CCOCC2)c1C ZINC000478220029 561162326 /nfs/dbraw/zinc/16/23/26/561162326.db2.gz NRURHKMCUGPZBO-UHFFFAOYSA-N 1 2 359.470 2.147 20 30 FEEDLO Cc1oc(NC(=O)C[N@@H+]2CC[C@H]3[C@H](CCC(=O)N3C3CC3)C2)c(C#N)c1C ZINC000159279519 545938921 /nfs/dbraw/zinc/93/89/21/545938921.db2.gz JAFKMDNIWMIXTG-PBHICJAKSA-N 1 2 370.453 2.182 20 30 FEEDLO Cc1oc(NC(=O)C[N@H+]2CC[C@H]3[C@H](CCC(=O)N3C3CC3)C2)c(C#N)c1C ZINC000159279519 545938922 /nfs/dbraw/zinc/93/89/22/545938922.db2.gz JAFKMDNIWMIXTG-PBHICJAKSA-N 1 2 370.453 2.182 20 30 FEEDLO CC[N@H+](CC(=O)NCc1ccc(F)cc1)Cc1cnc2ccc(C#N)cn12 ZINC000160232655 546020723 /nfs/dbraw/zinc/02/07/23/546020723.db2.gz OJILFMRVRCSKDQ-UHFFFAOYSA-N 1 2 365.412 2.483 20 30 FEEDLO CC[N@@H+](CC(=O)NCc1ccc(F)cc1)Cc1cnc2ccc(C#N)cn12 ZINC000160232655 546020727 /nfs/dbraw/zinc/02/07/27/546020727.db2.gz OJILFMRVRCSKDQ-UHFFFAOYSA-N 1 2 365.412 2.483 20 30 FEEDLO Cc1ccc(C#N)c(N2CC[NH+]([C@@H]3CCN(c4ccccc4)C3=O)CC2)n1 ZINC000161429060 546129814 /nfs/dbraw/zinc/12/98/14/546129814.db2.gz ZXSHQPGDTYEHDO-LJQANCHMSA-N 1 2 361.449 2.189 20 30 FEEDLO C[N@@H+]1CC[C@@H](NS(=O)(=O)CC2(C#N)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000166159768 546154932 /nfs/dbraw/zinc/15/49/32/546154932.db2.gz XWGGRYRHFDZCRU-CABCVRRESA-N 1 2 371.865 2.447 20 30 FEEDLO C[N@H+]1CC[C@@H](NS(=O)(=O)CC2(C#N)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000166159768 546154938 /nfs/dbraw/zinc/15/49/38/546154938.db2.gz XWGGRYRHFDZCRU-CABCVRRESA-N 1 2 371.865 2.447 20 30 FEEDLO Cc1cc[nH+]c(N2CCN(CC(=O)N(CCC#N)c3ccccc3)CC2)c1 ZINC000166224774 546156494 /nfs/dbraw/zinc/15/64/94/546156494.db2.gz MKGSVYRNJXOSNV-UHFFFAOYSA-N 1 2 363.465 2.459 20 30 FEEDLO Cc1cc(C(=O)NC2CC[NH+](CC(=O)N[C@](C)(C#N)C(C)C)CC2)c(C)o1 ZINC000170777159 546176594 /nfs/dbraw/zinc/17/65/94/546176594.db2.gz OFIUNDMEWBDQGW-HXUWFJFHSA-N 1 2 374.485 2.145 20 30 FEEDLO COc1cccc([C@H](C)N2CC[NH+]([C@@H](C)C(=O)N(C)CCC#N)CC2)c1 ZINC000171705962 546220000 /nfs/dbraw/zinc/22/00/00/546220000.db2.gz NOPLQDNFRSEZDO-IRXDYDNUSA-N 1 2 358.486 2.134 20 30 FEEDLO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(C[C@](C)(O)c2ccco2)CC1=O ZINC000172947628 546270976 /nfs/dbraw/zinc/27/09/76/546270976.db2.gz FKKQSZWOEQFCSD-FQEVSTJZSA-N 1 2 366.421 2.147 20 30 FEEDLO N#CCSCCC[NH+]1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000173859450 546288168 /nfs/dbraw/zinc/28/81/68/546288168.db2.gz ROAZEXAZPICXEZ-UHFFFAOYSA-N 1 2 373.931 2.293 20 30 FEEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](CC(=O)NCc2ccc(F)cc2)CC1 ZINC000174575877 546299371 /nfs/dbraw/zinc/29/93/71/546299371.db2.gz ILXBHVYJTDHADH-FQEVSTJZSA-N 1 2 366.440 2.324 20 30 FEEDLO N#Cc1ccc(OCC[NH+]2CCN(C(=O)c3ccc(O)cc3)CC2)cc1 ZINC000177177996 546562285 /nfs/dbraw/zinc/56/22/85/546562285.db2.gz VYNXFKRVZYIXQR-UHFFFAOYSA-N 1 2 351.406 2.101 20 30 FEEDLO CCC[C@@H](C)NC(=O)[C@H](C)O[NH+]=C(N)c1ccc(N2CCCCC2)nc1 ZINC000177479197 546627559 /nfs/dbraw/zinc/62/75/59/546627559.db2.gz RVTZRMMSFKVTNM-CABCVRRESA-N 1 2 361.490 2.402 20 30 FEEDLO COc1ccc(Cl)cc1NC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000177498331 546631129 /nfs/dbraw/zinc/63/11/29/546631129.db2.gz WMNABDHBASAYMM-UHFFFAOYSA-N 1 2 366.849 2.428 20 30 FEEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cnn(Cc2ccccc2)c1 ZINC000179438467 546954593 /nfs/dbraw/zinc/95/45/93/546954593.db2.gz SKDOYWXMMZBFMU-KRWDZBQOSA-N 1 2 373.464 2.304 20 30 FEEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cnn(Cc2ccccc2)c1 ZINC000179438467 546954598 /nfs/dbraw/zinc/95/45/98/546954598.db2.gz SKDOYWXMMZBFMU-KRWDZBQOSA-N 1 2 373.464 2.304 20 30 FEEDLO C=CC[N@@H+](Cc1ccc(OC)c(COCC)c1)[C@H]1CCS(=O)(=O)C1 ZINC000179525480 546970802 /nfs/dbraw/zinc/97/08/02/546970802.db2.gz OTOOQQDUFWWDSB-KRWDZBQOSA-N 1 2 353.484 2.407 20 30 FEEDLO C=CC[N@H+](Cc1ccc(OC)c(COCC)c1)[C@H]1CCS(=O)(=O)C1 ZINC000179525480 546970806 /nfs/dbraw/zinc/97/08/06/546970806.db2.gz OTOOQQDUFWWDSB-KRWDZBQOSA-N 1 2 353.484 2.407 20 30 FEEDLO N#C[C@H](c1ccc(Br)cc1)N1CC[NH+](CC2OCCO2)CC1 ZINC000181438656 547315329 /nfs/dbraw/zinc/31/53/29/547315329.db2.gz OCSDEPMYRUABMI-OAHLLOKOSA-N 1 2 366.259 2.004 20 30 FEEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)Nc1nc2n(c1C#N)CCS2 ZINC000483481635 561277898 /nfs/dbraw/zinc/27/78/98/561277898.db2.gz IGJAODGTGPDUKZ-UHFFFAOYSA-N 1 2 374.376 2.436 20 30 FEEDLO C=C(C)COc1cc(C[N@@H+]2CCN(S(C)(=O)=O)[C@@H](C)C2)ccc1OC ZINC000181935751 547408927 /nfs/dbraw/zinc/40/89/27/547408927.db2.gz LVKBOBBIFIOPKP-HNNXBMFYSA-N 1 2 368.499 2.116 20 30 FEEDLO C=C(C)COc1cc(C[N@H+]2CCN(S(C)(=O)=O)[C@@H](C)C2)ccc1OC ZINC000181935751 547408930 /nfs/dbraw/zinc/40/89/30/547408930.db2.gz LVKBOBBIFIOPKP-HNNXBMFYSA-N 1 2 368.499 2.116 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Nc1ccc(-c2ncco2)cc1 ZINC000182584996 547517330 /nfs/dbraw/zinc/51/73/30/547517330.db2.gz ZZJJGIBQUCDCGH-UHFFFAOYSA-N 1 2 369.425 2.421 20 30 FEEDLO C#Cc1cccc(NC(=O)C(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)c1 ZINC000182721702 547541332 /nfs/dbraw/zinc/54/13/32/547541332.db2.gz ZPMFIGMUNCYCAL-UHFFFAOYSA-N 1 2 351.406 2.285 20 30 FEEDLO Cn1cc([C@H]([NH2+]CC(=O)N[C@@](C)(C#N)C2CC2)c2ccc(F)cc2)cn1 ZINC000184585097 547850463 /nfs/dbraw/zinc/85/04/63/547850463.db2.gz CNAHNFSTKSVXQW-MOPGFXCFSA-N 1 2 355.417 2.047 20 30 FEEDLO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H](C)c1nc(-c2cccc(OC)c2)no1 ZINC000185134530 547938908 /nfs/dbraw/zinc/93/89/08/547938908.db2.gz WFWOVIUJOSYPOJ-KGLIPLIRSA-N 1 2 371.441 2.404 20 30 FEEDLO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCCC[C@@]2(C)C(N)=O)cc1C ZINC000185885056 548051788 /nfs/dbraw/zinc/05/17/88/548051788.db2.gz UPJATJOLHIHMHM-FQEVSTJZSA-N 1 2 356.470 2.280 20 30 FEEDLO Cc1ccc(N(CCC#N)C(=O)C[N@H+]2CCCC[C@@]2(C)C(N)=O)cc1C ZINC000185885056 548051790 /nfs/dbraw/zinc/05/17/90/548051790.db2.gz UPJATJOLHIHMHM-FQEVSTJZSA-N 1 2 356.470 2.280 20 30 FEEDLO COc1cc(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)ccc1[N+](=O)[O-] ZINC000485718804 561326588 /nfs/dbraw/zinc/32/65/88/561326588.db2.gz TVOMXGQWRHXLKW-UHFFFAOYSA-N 1 2 353.382 2.192 20 30 FEEDLO C=CC[C@@H](C(=O)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1)c1ccccc1 ZINC000187645138 548261628 /nfs/dbraw/zinc/26/16/28/548261628.db2.gz HDYDQPHDDOQZJI-VQIMIIECSA-N 1 2 355.482 2.158 20 30 FEEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](CCC=C)c2ccccc2)CC1 ZINC000189174735 548298244 /nfs/dbraw/zinc/29/82/44/548298244.db2.gz DUBJBCBPXIWLSV-HXUWFJFHSA-N 1 2 367.493 2.020 20 30 FEEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](CCC=C)c2ccccc2)CC1 ZINC000189174735 548298247 /nfs/dbraw/zinc/29/82/47/548298247.db2.gz DUBJBCBPXIWLSV-HXUWFJFHSA-N 1 2 367.493 2.020 20 30 FEEDLO O=C(NCC[NH+]1CCN(CC#Cc2ccccc2)CC1)c1ccccc1F ZINC000192034017 548355904 /nfs/dbraw/zinc/35/59/04/548355904.db2.gz AZQMCRQLFHMNIY-UHFFFAOYSA-N 1 2 365.452 2.225 20 30 FEEDLO O=C(NCCN1CC[NH+](CC#Cc2ccccc2)CC1)c1ccccc1F ZINC000192034017 548355909 /nfs/dbraw/zinc/35/59/09/548355909.db2.gz AZQMCRQLFHMNIY-UHFFFAOYSA-N 1 2 365.452 2.225 20 30 FEEDLO C[C@](C#N)(NC(=O)C[NH+]1CCC(O)(c2ccccc2Cl)CC1)C1CC1 ZINC000193136130 548381097 /nfs/dbraw/zinc/38/10/97/548381097.db2.gz GQWPGGOALZPUEN-GOSISDBHSA-N 1 2 361.873 2.432 20 30 FEEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccccc1)C1CC1 ZINC000245409707 548910977 /nfs/dbraw/zinc/91/09/77/548910977.db2.gz NPSSKJXZVWWAAT-GHTZIAJQSA-N 1 2 368.481 2.079 20 30 FEEDLO C[C@](C#N)(NC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccccc1)C1CC1 ZINC000245409707 548910981 /nfs/dbraw/zinc/91/09/81/548910981.db2.gz NPSSKJXZVWWAAT-GHTZIAJQSA-N 1 2 368.481 2.079 20 30 FEEDLO CC(C)C(=O)NC[C@H]1CCC[N@@H+]([C@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000246578154 549166405 /nfs/dbraw/zinc/16/64/05/549166405.db2.gz WAAUJLUITPZVBJ-ZBFHGGJFSA-N 1 2 374.510 2.209 20 30 FEEDLO CC(C)C(=O)NC[C@H]1CCC[N@H+]([C@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000246578154 549166410 /nfs/dbraw/zinc/16/64/10/549166410.db2.gz WAAUJLUITPZVBJ-ZBFHGGJFSA-N 1 2 374.510 2.209 20 30 FEEDLO CCn1cnnc1[C@H]1CCC[N@@H+]([C@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000246596724 549170181 /nfs/dbraw/zinc/17/01/81/549170181.db2.gz XDXZCNAPIVQTIM-GJZGRUSLSA-N 1 2 370.482 2.216 20 30 FEEDLO CCn1cnnc1[C@H]1CCC[N@H+]([C@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000246596724 549170185 /nfs/dbraw/zinc/17/01/85/549170185.db2.gz XDXZCNAPIVQTIM-GJZGRUSLSA-N 1 2 370.482 2.216 20 30 FEEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000247302801 549314083 /nfs/dbraw/zinc/31/40/83/549314083.db2.gz LNFWMMZDBPHYOE-KZIZELGASA-N 1 2 363.502 2.186 20 30 FEEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000247302801 549314089 /nfs/dbraw/zinc/31/40/89/549314089.db2.gz LNFWMMZDBPHYOE-KZIZELGASA-N 1 2 363.502 2.186 20 30 FEEDLO COCC[N@H+](CC(=O)Nc1sc(C)c(C)c1C#N)[C@H]1CCO[C@H]1C ZINC000489514050 561413238 /nfs/dbraw/zinc/41/32/38/561413238.db2.gz PZJJJDACVCJULI-WFASDCNBSA-N 1 2 351.472 2.301 20 30 FEEDLO COCC[N@@H+](CC(=O)Nc1sc(C)c(C)c1C#N)[C@H]1CCO[C@H]1C ZINC000489514050 561413239 /nfs/dbraw/zinc/41/32/39/561413239.db2.gz PZJJJDACVCJULI-WFASDCNBSA-N 1 2 351.472 2.301 20 30 FEEDLO C[C@H](C(=O)NCCC1=CCCCC1)[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000253371352 549684996 /nfs/dbraw/zinc/68/49/96/549684996.db2.gz AYTBWGKJPJAMMG-QGZVFWFLSA-N 1 2 367.497 2.470 20 30 FEEDLO N#Cc1cc(S(=O)(=O)NCc2ccc(N3CCCC3)[nH+]c2)ccc1F ZINC000264037441 549971026 /nfs/dbraw/zinc/97/10/26/549971026.db2.gz CNEFLQNWEWVGKK-UHFFFAOYSA-N 1 2 360.414 2.171 20 30 FEEDLO C=CCNC(=O)c1ccc(NC[C@@H](c2ccc(C)o2)[NH+]2CCOCC2)nc1 ZINC000264840965 550002174 /nfs/dbraw/zinc/00/21/74/550002174.db2.gz GRDASHMRCUSLOG-KRWDZBQOSA-N 1 2 370.453 2.384 20 30 FEEDLO CCOC[C@H]1CCC[N@H+](CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000265070616 550005818 /nfs/dbraw/zinc/00/58/18/550005818.db2.gz PBKUALXVGJYUSH-HOCLYGCPSA-N 1 2 368.437 2.260 20 30 FEEDLO CCOC[C@H]1CCC[N@@H+](CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000265070616 550005819 /nfs/dbraw/zinc/00/58/19/550005819.db2.gz PBKUALXVGJYUSH-HOCLYGCPSA-N 1 2 368.437 2.260 20 30 FEEDLO C[C@@H]1SCC[N@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)[C@H]1C ZINC000265534073 550011665 /nfs/dbraw/zinc/01/16/65/550011665.db2.gz QCNUYYNWKFWHJJ-SGMGOOAPSA-N 1 2 356.451 2.337 20 30 FEEDLO C[C@@H]1SCC[N@@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)[C@H]1C ZINC000265534073 550011669 /nfs/dbraw/zinc/01/16/69/550011669.db2.gz QCNUYYNWKFWHJJ-SGMGOOAPSA-N 1 2 356.451 2.337 20 30 FEEDLO C=C1CC[NH+](CC(=O)Nc2cc(-n3nnnc3C3CC3)ccc2F)CC1 ZINC000268511522 550079065 /nfs/dbraw/zinc/07/90/65/550079065.db2.gz CGIZSQCKGYHUJO-UHFFFAOYSA-N 1 2 356.405 2.269 20 30 FEEDLO COc1cc(NC(=O)C[N@H+](C)C[C@@H](O)c2ccc(C#N)cc2)cc(OC)c1 ZINC000268680870 550103422 /nfs/dbraw/zinc/10/34/22/550103422.db2.gz OEJQRGJZWHGZOR-LJQANCHMSA-N 1 2 369.421 2.179 20 30 FEEDLO COc1cc(NC(=O)C[N@@H+](C)C[C@@H](O)c2ccc(C#N)cc2)cc(OC)c1 ZINC000268680870 550103424 /nfs/dbraw/zinc/10/34/24/550103424.db2.gz OEJQRGJZWHGZOR-LJQANCHMSA-N 1 2 369.421 2.179 20 30 FEEDLO Cc1cc(NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)nn1CCC#N ZINC000272061365 550419796 /nfs/dbraw/zinc/41/97/96/550419796.db2.gz IWHJATPWEJISJL-UHFFFAOYSA-N 1 2 353.430 2.422 20 30 FEEDLO Cc1c(C(=O)N(CCC#N)CC[NH+]2CCOCC2)cnn1C1CCCCC1 ZINC000272668626 550464333 /nfs/dbraw/zinc/46/43/33/550464333.db2.gz VGMLMHLCAUVWII-UHFFFAOYSA-N 1 2 373.501 2.385 20 30 FEEDLO COc1ccccc1-c1noc([C@H](C)[NH2+]CC(=O)N[C@@](C)(C#N)C(C)C)n1 ZINC000273425640 550498131 /nfs/dbraw/zinc/49/81/31/550498131.db2.gz WKJDUUXEFFMPTL-DJJJIMSYSA-N 1 2 371.441 2.450 20 30 FEEDLO C=CCS(=O)(=O)CC[NH2+][C@H](C)c1ncc(Br)cc1F ZINC000275333858 550571506 /nfs/dbraw/zinc/57/15/06/550571506.db2.gz NLHAVIBFWQQOCY-SECBINFHSA-N 1 2 351.241 2.235 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)CN1CCC[C@H]1c1[nH+]c2c(n1C)CCCC2 ZINC000276128444 550577065 /nfs/dbraw/zinc/57/70/65/550577065.db2.gz YEVJFUFGDOXTJI-PXNSSMCTSA-N 1 2 357.502 2.490 20 30 FEEDLO C#CCn1ccc(CN(CC)C(=O)[C@H](C(CC)CC)[NH+]2CCOCC2)n1 ZINC000279107973 550855119 /nfs/dbraw/zinc/85/51/19/550855119.db2.gz KJTSILKMHXKALT-IBGZPJMESA-N 1 2 360.502 2.002 20 30 FEEDLO C[C@H]1C[N@H+](CC(=O)N(CCC#N)c2ccccc2)CC2(CCOCC2)O1 ZINC000279140297 550858124 /nfs/dbraw/zinc/85/81/24/550858124.db2.gz YAYMVXPOFGXJDQ-KRWDZBQOSA-N 1 2 357.454 2.203 20 30 FEEDLO C[C@H]1C[N@@H+](CC(=O)N(CCC#N)c2ccccc2)CC2(CCOCC2)O1 ZINC000279140297 550858125 /nfs/dbraw/zinc/85/81/25/550858125.db2.gz YAYMVXPOFGXJDQ-KRWDZBQOSA-N 1 2 357.454 2.203 20 30 FEEDLO Cc1cccc(N(CCC#N)C(=O)CN(C)[C@H](C)C[NH+]2CCOCC2)c1C ZINC000279737947 550923439 /nfs/dbraw/zinc/92/34/39/550923439.db2.gz OJNNWNLAUBUAIO-GOSISDBHSA-N 1 2 372.513 2.203 20 30 FEEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000495530087 561489434 /nfs/dbraw/zinc/48/94/34/561489434.db2.gz MJVKKYBGPHQLLB-UHFFFAOYSA-N 1 2 354.366 2.307 20 30 FEEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000495530087 561489435 /nfs/dbraw/zinc/48/94/35/561489435.db2.gz MJVKKYBGPHQLLB-UHFFFAOYSA-N 1 2 354.366 2.307 20 30 FEEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)C(=O)Nc1cccc(C#N)c1 ZINC000280722934 551025267 /nfs/dbraw/zinc/02/52/67/551025267.db2.gz NHPPOYOOPPEJFT-INIZCTEOSA-N 1 2 351.410 2.467 20 30 FEEDLO C=C[C@@](C)(CCOC)C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000280791590 551032843 /nfs/dbraw/zinc/03/28/43/551032843.db2.gz RCSHVMGHJAPEBP-DYXWJJEUSA-N 1 2 358.482 2.327 20 30 FEEDLO C=C[C@@](C)(CCOC)C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000280791590 551032844 /nfs/dbraw/zinc/03/28/44/551032844.db2.gz RCSHVMGHJAPEBP-DYXWJJEUSA-N 1 2 358.482 2.327 20 30 FEEDLO Cc1nn(CCS(C)(=O)=O)c(C)c1C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000280975611 551051204 /nfs/dbraw/zinc/05/12/04/551051204.db2.gz CKVSFGHWJPYRBS-UHFFFAOYSA-N 1 2 360.483 2.048 20 30 FEEDLO Cc1nn(CCS(C)(=O)=O)c(C)c1C[N@H+](C)Cc1cccc(C#N)c1 ZINC000280975611 551051206 /nfs/dbraw/zinc/05/12/06/551051206.db2.gz CKVSFGHWJPYRBS-UHFFFAOYSA-N 1 2 360.483 2.048 20 30 FEEDLO COc1ccc([NH2+]CCCC2(C#N)CCOCC2)cc1-n1nnnc1C ZINC000280994482 551052609 /nfs/dbraw/zinc/05/26/09/551052609.db2.gz JJVJBENTFKPISS-UHFFFAOYSA-N 1 2 356.430 2.492 20 30 FEEDLO Cn1c[nH+]cc1CCC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000281211405 551074396 /nfs/dbraw/zinc/07/43/96/551074396.db2.gz NUWBDBDPVAJCNX-UHFFFAOYSA-N 1 2 353.426 2.126 20 30 FEEDLO CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1ccnn1C)c1ccc(Cl)c(C#N)n1 ZINC000281347736 551087162 /nfs/dbraw/zinc/08/71/62/551087162.db2.gz BYZRPPSFGOLMSK-JSGCOSHPSA-N 1 2 362.840 2.389 20 30 FEEDLO CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1ccnn1C)c1ccc(Cl)c(C#N)n1 ZINC000281347736 551087164 /nfs/dbraw/zinc/08/71/64/551087164.db2.gz BYZRPPSFGOLMSK-JSGCOSHPSA-N 1 2 362.840 2.389 20 30 FEEDLO Cc1nn(CCS(C)(=O)=O)c(C)c1C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000281423307 551095611 /nfs/dbraw/zinc/09/56/11/551095611.db2.gz YHPBDNZCIRJTJV-UHFFFAOYSA-N 1 2 360.483 2.048 20 30 FEEDLO Cc1nn(CCS(C)(=O)=O)c(C)c1C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000281423307 551095614 /nfs/dbraw/zinc/09/56/14/551095614.db2.gz YHPBDNZCIRJTJV-UHFFFAOYSA-N 1 2 360.483 2.048 20 30 FEEDLO C#C[C@H](NC(=O)C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1)C(C)C ZINC000281538278 551110656 /nfs/dbraw/zinc/11/06/56/551110656.db2.gz NBMRNRAZRUMGCD-HNNXBMFYSA-N 1 2 352.438 2.475 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000281848606 551147959 /nfs/dbraw/zinc/14/79/59/551147959.db2.gz RTLPZGRXVVLFBJ-WBVHZDCISA-N 1 2 364.515 2.342 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000281848606 551147962 /nfs/dbraw/zinc/14/79/62/551147962.db2.gz RTLPZGRXVVLFBJ-WBVHZDCISA-N 1 2 364.515 2.342 20 30 FEEDLO CC#CC(=O)NCc1cc[nH+]c(N2CCN(c3ccc(F)cc3)CC2)c1 ZINC000282967779 551291081 /nfs/dbraw/zinc/29/10/81/551291081.db2.gz VEZXGGKDWCMEBW-UHFFFAOYSA-N 1 2 352.413 2.187 20 30 FEEDLO C[C@H](Sc1ccc(C#N)cn1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000498161534 561517418 /nfs/dbraw/zinc/51/74/18/561517418.db2.gz HWWRXZCIWKTVMZ-AWEZNQCLSA-N 1 2 353.451 2.178 20 30 FEEDLO Cn1c[nH+]cc1CON=C(N)C1(NC(=O)OC(C)(C)C)CCCCC1 ZINC000284397029 551540718 /nfs/dbraw/zinc/54/07/18/551540718.db2.gz MWBQUUXOHMCKPN-UHFFFAOYSA-N 1 2 351.451 2.437 20 30 FEEDLO C[C@H](NC(=O)CO[NH+]=C(N)[C@@H]1CCCO1)c1ccc(Br)cc1 ZINC000284475083 551557273 /nfs/dbraw/zinc/55/72/73/551557273.db2.gz RNQZLHCLZSLZLD-GWCFXTLKSA-N 1 2 370.247 2.094 20 30 FEEDLO N#C[C@H](C(=O)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1)c1nc2ccccc2c(=O)[nH]1 ZINC000284977835 551681873 /nfs/dbraw/zinc/68/18/73/551681873.db2.gz XYCBOHLQZBGRRJ-KYJSFNMBSA-N 1 2 366.421 2.155 20 30 FEEDLO N#C[C@H](C(=O)C[N@H+]1CCC[C@@H]1[C@@H]1CCCO1)c1nc2ccccc2c(=O)[nH]1 ZINC000284977835 551681876 /nfs/dbraw/zinc/68/18/76/551681876.db2.gz XYCBOHLQZBGRRJ-KYJSFNMBSA-N 1 2 366.421 2.155 20 30 FEEDLO Cc1cc(C#N)ccc1S(=O)(=O)N[C@@H](c1[nH+]ccn1C)C1CCOCC1 ZINC000285259624 551727784 /nfs/dbraw/zinc/72/77/84/551727784.db2.gz ZOSGUAXSDUJBRH-QGZVFWFLSA-N 1 2 374.466 2.046 20 30 FEEDLO C[NH+]1CCN(S(=O)(=O)c2cccc(NCc3cccc(C#N)c3)c2)CC1 ZINC000285709538 551799064 /nfs/dbraw/zinc/79/90/64/551799064.db2.gz WIAFARYJXQSPMI-UHFFFAOYSA-N 1 2 370.478 2.106 20 30 FEEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)CCCCOc1cccc(C#N)c1 ZINC000285848022 551818393 /nfs/dbraw/zinc/81/83/93/551818393.db2.gz PDURCWBKUPPUNX-PKOBYXMFSA-N 1 2 371.481 2.429 20 30 FEEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)CCCCOc1cccc(C#N)c1 ZINC000285848020 551818409 /nfs/dbraw/zinc/81/84/09/551818409.db2.gz PDURCWBKUPPUNX-IEBWSBKVSA-N 1 2 371.481 2.429 20 30 FEEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)CCCCOc1cccc(C#N)c1 ZINC000285848019 551818551 /nfs/dbraw/zinc/81/85/51/551818551.db2.gz PDURCWBKUPPUNX-HKUYNNGSSA-N 1 2 371.481 2.429 20 30 FEEDLO C[C@@H](CNC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1)Cn1cc[nH+]c1 ZINC000286154637 551854992 /nfs/dbraw/zinc/85/49/92/551854992.db2.gz HUZMQCOGTWIFLM-HOCLYGCPSA-N 1 2 355.417 2.173 20 30 FEEDLO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN(c3cccc(C#N)n3)C2)CC1 ZINC000286267824 551867643 /nfs/dbraw/zinc/86/76/43/551867643.db2.gz FKTZYCHHPDFLMU-INIZCTEOSA-N 1 2 357.458 2.085 20 30 FEEDLO Cc1ccc(OCCC(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1C ZINC000499336348 561549125 /nfs/dbraw/zinc/54/91/25/561549125.db2.gz VFZDIMQLTVJNMH-UHFFFAOYSA-N 1 2 359.470 2.147 20 30 FEEDLO Cc1cc[nH+]c(C)c1NC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C ZINC000287605771 552024639 /nfs/dbraw/zinc/02/46/39/552024639.db2.gz SKSSWYFQLIOFHO-CYBMUJFWSA-N 1 2 351.414 2.103 20 30 FEEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Nc1ncccc1OCCCC#N ZINC000287719793 552038224 /nfs/dbraw/zinc/03/82/24/552038224.db2.gz VKTLUYDHPNMBLV-HOTGVXAUSA-N 1 2 373.457 2.091 20 30 FEEDLO Cc1ccc(C#N)c(N2CC[NH+]([C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)n1 ZINC000288124533 552095535 /nfs/dbraw/zinc/09/55/35/552095535.db2.gz DDIFJNSICSJQMM-QGZVFWFLSA-N 1 2 371.485 2.393 20 30 FEEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@@]2(Cc2ccccc2)C(=O)OCC)C1=O ZINC000499704823 561556734 /nfs/dbraw/zinc/55/67/34/561556734.db2.gz AXJXRQKUBVZGOI-WIYYLYMNSA-N 1 2 356.466 2.414 20 30 FEEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@]2(Cc2ccccc2)C(=O)OCC)C1=O ZINC000499704823 561556735 /nfs/dbraw/zinc/55/67/35/561556735.db2.gz AXJXRQKUBVZGOI-WIYYLYMNSA-N 1 2 356.466 2.414 20 30 FEEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)Nc2cccc(C(F)(F)F)c2)C1=O ZINC000500023189 561564299 /nfs/dbraw/zinc/56/42/99/561564299.db2.gz GMJGGFBULAHUKY-AWEZNQCLSA-N 1 2 355.360 2.363 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)Nc2cccc(C(F)(F)F)c2)C1=O ZINC000500023189 561564300 /nfs/dbraw/zinc/56/43/00/561564300.db2.gz GMJGGFBULAHUKY-AWEZNQCLSA-N 1 2 355.360 2.363 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)C(=O)N2CCSc3ccccc32)C1=O ZINC000500021910 561564373 /nfs/dbraw/zinc/56/43/73/561564373.db2.gz ZITIQLPWTCVXBC-HOCLYGCPSA-N 1 2 359.495 2.233 20 30 FEEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)C(=O)N2CCSc3ccccc32)C1=O ZINC000500021910 561564374 /nfs/dbraw/zinc/56/43/74/561564374.db2.gz ZITIQLPWTCVXBC-HOCLYGCPSA-N 1 2 359.495 2.233 20 30 FEEDLO COc1ccc([C@@H](C)[N@H+](C)CCS(=O)(=O)c2ccc(C#N)cn2)cc1 ZINC000289177492 552278233 /nfs/dbraw/zinc/27/82/33/552278233.db2.gz IATQQVBFFWCDNW-CQSZACIVSA-N 1 2 359.451 2.429 20 30 FEEDLO COc1ccc([C@@H](C)[N@@H+](C)CCS(=O)(=O)c2ccc(C#N)cn2)cc1 ZINC000289177492 552278235 /nfs/dbraw/zinc/27/82/35/552278235.db2.gz IATQQVBFFWCDNW-CQSZACIVSA-N 1 2 359.451 2.429 20 30 FEEDLO C#Cc1ccccc1CC(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000289313358 552300080 /nfs/dbraw/zinc/30/00/80/552300080.db2.gz FILZGIGARUDXMD-SFHVURJKSA-N 1 2 354.475 2.462 20 30 FEEDLO C=CCn1c(C2CC2)nnc1N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000289317934 552300254 /nfs/dbraw/zinc/30/02/54/552300254.db2.gz BGWOQOXZSIXPEL-MOPGFXCFSA-N 1 2 365.481 2.431 20 30 FEEDLO C=CCn1c(C2CC2)nnc1N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000289317934 552300258 /nfs/dbraw/zinc/30/02/58/552300258.db2.gz BGWOQOXZSIXPEL-MOPGFXCFSA-N 1 2 365.481 2.431 20 30 FEEDLO CC1(C)[C@H](C(F)(F)F)CC[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000289501517 552331483 /nfs/dbraw/zinc/33/14/83/552331483.db2.gz UEEQBFPHZHKHSU-GFCCVEGCSA-N 1 2 361.389 2.390 20 30 FEEDLO CC1(C)[C@H](C(F)(F)F)CC[N@H+]1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000289501517 552331484 /nfs/dbraw/zinc/33/14/84/552331484.db2.gz UEEQBFPHZHKHSU-GFCCVEGCSA-N 1 2 361.389 2.390 20 30 FEEDLO Cc1cc(C)c(C#N)c(N(C)C[C@@H]2C[C@H](F)C[N@@H+]2Cc2ccnn2C)n1 ZINC000289665421 552358672 /nfs/dbraw/zinc/35/86/72/552358672.db2.gz OTVATCXZIHKBON-RDJZCZTQSA-N 1 2 356.449 2.352 20 30 FEEDLO Cc1cc(C)c(C#N)c(N(C)C[C@@H]2C[C@H](F)C[N@H+]2Cc2ccnn2C)n1 ZINC000289665421 552358674 /nfs/dbraw/zinc/35/86/74/552358674.db2.gz OTVATCXZIHKBON-RDJZCZTQSA-N 1 2 356.449 2.352 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@@H](c3cccc(F)c3)C2)nc1 ZINC000290280902 552453246 /nfs/dbraw/zinc/45/32/46/552453246.db2.gz MFDNVVMVHHNBPI-MRXNPFEDSA-N 1 2 359.426 2.356 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@@H](c3cccc(F)c3)C2)nc1 ZINC000290280902 552453248 /nfs/dbraw/zinc/45/32/48/552453248.db2.gz MFDNVVMVHHNBPI-MRXNPFEDSA-N 1 2 359.426 2.356 20 30 FEEDLO N#Cc1ccc(N2CCC(C(=O)N3CCn4c[nH+]cc4C3)CC2)c(F)c1 ZINC000290968206 552570081 /nfs/dbraw/zinc/57/00/81/552570081.db2.gz SNWUQTUEUMRUTR-UHFFFAOYSA-N 1 2 353.401 2.153 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCCCc3nccs3)CC2)cc1 ZINC000290998033 552574192 /nfs/dbraw/zinc/57/41/92/552574192.db2.gz YGCPQVDEXYKBGJ-UHFFFAOYSA-N 1 2 369.494 2.475 20 30 FEEDLO CC(=O)c1ccc(NC(=O)C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000292231536 552706764 /nfs/dbraw/zinc/70/67/64/552706764.db2.gz PQEZELONZVHXIB-GOSISDBHSA-N 1 2 364.405 2.248 20 30 FEEDLO CC(=O)c1ccc(NC(=O)C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000292231536 552706766 /nfs/dbraw/zinc/70/67/66/552706766.db2.gz PQEZELONZVHXIB-GOSISDBHSA-N 1 2 364.405 2.248 20 30 FEEDLO C[C@H](NC(=O)N1CCC(C#N)([NH+](C)C)CC1)[C@H]1OCCc2sccc21 ZINC000292307974 552714415 /nfs/dbraw/zinc/71/44/15/552714415.db2.gz WAGAPDQZVZMJAB-XJKSGUPXSA-N 1 2 362.499 2.380 20 30 FEEDLO C=CCC(C)(C)CNC(=O)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000293205947 552799059 /nfs/dbraw/zinc/79/90/59/552799059.db2.gz BXRJROWTTJJKEL-UHFFFAOYSA-N 1 2 359.470 2.176 20 30 FEEDLO N#C[C@@H]1CC[C@H]([NH+]2CCN(S(=O)(=O)c3ccc(F)c(F)c3F)CC2)C1 ZINC000293424058 552822248 /nfs/dbraw/zinc/82/22/48/552822248.db2.gz IXGNYROGBLKBSZ-NEPJUHHUSA-N 1 2 373.400 2.102 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCN([C@H](C)c3ccc(F)cc3)C2=O)C1=O ZINC000294101700 552882161 /nfs/dbraw/zinc/88/21/61/552882161.db2.gz MLHSGAIDPVNAPV-FHLIZLRMSA-N 1 2 359.445 2.206 20 30 FEEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCN([C@H](C)c3ccc(F)cc3)C2=O)C1=O ZINC000294101700 552882163 /nfs/dbraw/zinc/88/21/63/552882163.db2.gz MLHSGAIDPVNAPV-FHLIZLRMSA-N 1 2 359.445 2.206 20 30 FEEDLO C#CCC[NH+]1CCN(C(=O)c2cc(Br)c(F)cc2O)CC1 ZINC000294580537 552917453 /nfs/dbraw/zinc/91/74/53/552917453.db2.gz OUVUKCUKNQVKAX-UHFFFAOYSA-N 1 2 355.207 2.075 20 30 FEEDLO N#C[C@@]1(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC12CCCC2 ZINC000294610980 552920379 /nfs/dbraw/zinc/92/03/79/552920379.db2.gz ZXMCAUGDZGCBKH-WIYYLYMNSA-N 1 2 353.466 2.478 20 30 FEEDLO N#C[C@@]1(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC12CCCC2 ZINC000294610980 552920380 /nfs/dbraw/zinc/92/03/80/552920380.db2.gz ZXMCAUGDZGCBKH-WIYYLYMNSA-N 1 2 353.466 2.478 20 30 FEEDLO N#Cc1ccc(CN2CC[NH+](Cc3ccc4c(c3)NC(=O)CO4)CC2)cc1 ZINC000294911857 552943706 /nfs/dbraw/zinc/94/37/06/552943706.db2.gz NIMQUTOFUNWSGJ-UHFFFAOYSA-N 1 2 362.433 2.207 20 30 FEEDLO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)[C@]2(C#N)CC23CCCC3)CC1 ZINC000295268778 552979143 /nfs/dbraw/zinc/97/91/43/552979143.db2.gz OGYWCRRMECNHMS-HXUWFJFHSA-N 1 2 355.486 2.155 20 30 FEEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000295333168 552989202 /nfs/dbraw/zinc/98/92/02/552989202.db2.gz MOSSIPHUIXWGNY-LLVKDONJSA-N 1 2 363.215 2.377 20 30 FEEDLO N#Cc1cc(Br)ccc1C[N@H+]1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000295333168 552989203 /nfs/dbraw/zinc/98/92/03/552989203.db2.gz MOSSIPHUIXWGNY-LLVKDONJSA-N 1 2 363.215 2.377 20 30 FEEDLO C=CCn1c([C@H]2CCCCO2)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC000295799226 553060761 /nfs/dbraw/zinc/06/07/61/553060761.db2.gz AAAOGYQJBXICKK-QGZVFWFLSA-N 1 2 372.473 2.324 20 30 FEEDLO C=CCn1c([C@@H]2CC[C@H](C)O2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000296116644 553107337 /nfs/dbraw/zinc/10/73/37/553107337.db2.gz ZWAVIZSEWQYFGX-HOCLYGCPSA-N 1 2 369.473 2.129 20 30 FEEDLO Cc1ccc(C#N)cc1NC(=O)C(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C ZINC000296366784 553148370 /nfs/dbraw/zinc/14/83/70/553148370.db2.gz ZUZVFEVVGGVORG-HNNXBMFYSA-N 1 2 351.410 2.148 20 30 FEEDLO N#Cc1cccc(CNC(=O)CN2CC[NH+](Cc3cccc(F)c3)CC2)c1 ZINC000502764341 561625000 /nfs/dbraw/zinc/62/50/00/561625000.db2.gz CDVUKSDPMACWJF-UHFFFAOYSA-N 1 2 366.440 2.131 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Nc1cc(F)cc(F)c1F ZINC000297081745 553251016 /nfs/dbraw/zinc/25/10/16/553251016.db2.gz OAHZTEGBBHUSSF-UHFFFAOYSA-N 1 2 356.348 2.184 20 30 FEEDLO COCCOc1ccc(C#N)cc1NC(=O)NCc1c[nH+]ccc1OC ZINC000297154310 553256611 /nfs/dbraw/zinc/25/66/11/553256611.db2.gz KUJVMGGOXOYXCF-UHFFFAOYSA-N 1 2 356.382 2.309 20 30 FEEDLO C=CCN(CC=C)C(=O)C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000297521999 553304047 /nfs/dbraw/zinc/30/40/47/553304047.db2.gz NGMRDBUBWPRSIT-INIZCTEOSA-N 1 2 356.470 2.126 20 30 FEEDLO C=CCN(CC=C)C(=O)C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000297548527 553307439 /nfs/dbraw/zinc/30/74/39/553307439.db2.gz PLQAOQSNJBNQJX-UHFFFAOYSA-N 1 2 356.470 2.126 20 30 FEEDLO C=C(C)CN(CC)C(=O)C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000297969621 553364287 /nfs/dbraw/zinc/36/42/87/553364287.db2.gz WCFKFBZPZRUQRO-MRXNPFEDSA-N 1 2 358.486 2.350 20 30 FEEDLO C#CCOc1ccccc1NC(=O)N[C@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000298033149 553374565 /nfs/dbraw/zinc/37/45/65/553374565.db2.gz GFJOLBDZWWPFGJ-MRXNPFEDSA-N 1 2 356.426 2.313 20 30 FEEDLO CCO[C@H]1C[C@@]([NH2+]CCC(=O)Nc2ccccc2C#N)(C(=O)OC)C1(C)C ZINC000298659307 553455473 /nfs/dbraw/zinc/45/54/73/553455473.db2.gz XVVSRTQXYCCEHD-OXJNMPFZSA-N 1 2 373.453 2.223 20 30 FEEDLO C=CCN(CCc1ccccc1)C(=O)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000298942814 553492830 /nfs/dbraw/zinc/49/28/30/553492830.db2.gz DVNMMGNGMWPGEA-GOSISDBHSA-N 1 2 366.465 2.373 20 30 FEEDLO C=CCN(CCc1ccccc1)C(=O)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000299218065 553532432 /nfs/dbraw/zinc/53/24/32/553532432.db2.gz WPIGSVBOTCWXOV-UHFFFAOYSA-N 1 2 366.465 2.304 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3N)CC2)cc1 ZINC000299362821 553553145 /nfs/dbraw/zinc/55/31/45/553553145.db2.gz CGLZENNBUZMWJU-UHFFFAOYSA-N 1 2 365.393 2.007 20 30 FEEDLO N#Cc1cc(F)ccc1N1CC[NH+](CC(=O)NCc2ccccc2)CC1 ZINC000301212537 553631863 /nfs/dbraw/zinc/63/18/63/553631863.db2.gz WNTZDYCHVFXTOT-UHFFFAOYSA-N 1 2 352.413 2.136 20 30 FEEDLO Cn1nc(Br)c2c1nc[nH+]c2NCCOc1ccc(C#N)cc1 ZINC000301446060 553652798 /nfs/dbraw/zinc/65/27/98/553652798.db2.gz JXBCSRGLPRHIGH-UHFFFAOYSA-N 1 2 373.214 2.488 20 30 FEEDLO CCc1nc(CN(C(C)=O)[C@@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C2)no1 ZINC000505271166 561669052 /nfs/dbraw/zinc/66/90/52/561669052.db2.gz FVOLPHSHJWUPKT-MRXNPFEDSA-N 1 2 371.416 2.266 20 30 FEEDLO CCc1nc(CN(C(C)=O)[C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C2)no1 ZINC000505271166 561669053 /nfs/dbraw/zinc/66/90/53/561669053.db2.gz FVOLPHSHJWUPKT-MRXNPFEDSA-N 1 2 371.416 2.266 20 30 FEEDLO CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000505742701 561678992 /nfs/dbraw/zinc/67/89/92/561678992.db2.gz VWVPTOMWCYMGAT-IBGZPJMESA-N 1 2 360.458 2.140 20 30 FEEDLO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000328659451 553803818 /nfs/dbraw/zinc/80/38/18/553803818.db2.gz SUCQNRGNRMZZFS-SJORKVTESA-N 1 2 363.506 2.058 20 30 FEEDLO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000328659451 553803819 /nfs/dbraw/zinc/80/38/19/553803819.db2.gz SUCQNRGNRMZZFS-SJORKVTESA-N 1 2 363.506 2.058 20 30 FEEDLO C=CCN1CC[C@@H]([N@@H+]2CCCC[C@@H]2C(=O)Nc2ccc3c(c2)CCO3)C1=O ZINC000328767557 553819103 /nfs/dbraw/zinc/81/91/03/553819103.db2.gz FRDUIXLMMQYPLA-QZTJIDSGSA-N 1 2 369.465 2.201 20 30 FEEDLO C=CCN1CC[C@@H]([N@H+]2CCCC[C@@H]2C(=O)Nc2ccc3c(c2)CCO3)C1=O ZINC000328767557 553819105 /nfs/dbraw/zinc/81/91/05/553819105.db2.gz FRDUIXLMMQYPLA-QZTJIDSGSA-N 1 2 369.465 2.201 20 30 FEEDLO C[C@@H]1[C@H](C)OCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000328789036 553822369 /nfs/dbraw/zinc/82/23/69/553822369.db2.gz PQVAKGLTOCFPIR-KEYYUXOJSA-N 1 2 362.474 2.493 20 30 FEEDLO C[C@@H]1[C@H](C)OCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000328789036 553822370 /nfs/dbraw/zinc/82/23/70/553822370.db2.gz PQVAKGLTOCFPIR-KEYYUXOJSA-N 1 2 362.474 2.493 20 30 FEEDLO CCO[C@@H]1C[C@H](NC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)C1(CC)CC ZINC000328855782 553833495 /nfs/dbraw/zinc/83/34/95/553833495.db2.gz CUFRYYOVJCSGCX-LTIDMASMSA-N 1 2 353.507 2.289 20 30 FEEDLO CCO[C@@H]1C[C@H](NC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)C1(CC)CC ZINC000328855782 553833496 /nfs/dbraw/zinc/83/34/96/553833496.db2.gz CUFRYYOVJCSGCX-LTIDMASMSA-N 1 2 353.507 2.289 20 30 FEEDLO Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000328898635 553841070 /nfs/dbraw/zinc/84/10/70/553841070.db2.gz WTGZFSSVVYXQBD-XKQJLSEDSA-N 1 2 363.506 2.326 20 30 FEEDLO Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000328898635 553841071 /nfs/dbraw/zinc/84/10/71/553841071.db2.gz WTGZFSSVVYXQBD-XKQJLSEDSA-N 1 2 363.506 2.326 20 30 FEEDLO C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000328910375 553843248 /nfs/dbraw/zinc/84/32/48/553843248.db2.gz NJQPDXVNLBRKNT-OWOQWNNFSA-N 1 2 360.458 2.377 20 30 FEEDLO C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000328910375 553843249 /nfs/dbraw/zinc/84/32/49/553843249.db2.gz NJQPDXVNLBRKNT-OWOQWNNFSA-N 1 2 360.458 2.377 20 30 FEEDLO CSc1cc(C(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)ccn1 ZINC000328920375 553844908 /nfs/dbraw/zinc/84/49/08/553844908.db2.gz LVFNCLOFJWDLOB-UHFFFAOYSA-N 1 2 362.499 2.052 20 30 FEEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)N[C@H](c3ccccc3)c3ccccn3)C[C@@H]21 ZINC000328991464 553860223 /nfs/dbraw/zinc/86/02/23/553860223.db2.gz VKZKCZMUXFFHNN-XUVXKRRUSA-N 1 2 366.465 2.490 20 30 FEEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)N[C@H](c3ccccc3)c3ccccn3)C[C@@H]21 ZINC000328991464 553860225 /nfs/dbraw/zinc/86/02/25/553860225.db2.gz VKZKCZMUXFFHNN-XUVXKRRUSA-N 1 2 366.465 2.490 20 30 FEEDLO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1O ZINC000329118247 553883412 /nfs/dbraw/zinc/88/34/12/553883412.db2.gz OIBFCWRJAXOGLP-TXEJJXNPSA-N 1 2 367.471 2.294 20 30 FEEDLO O=C(N[C@H]1CC(=O)N(C2CCCCC2)C1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000329172765 553895245 /nfs/dbraw/zinc/89/52/45/553895245.db2.gz LGUJESLACXREBB-HNNXBMFYSA-N 1 2 359.474 2.437 20 30 FEEDLO O=C(N[C@H]1CC(=O)N(C2CCCCC2)C1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000329172765 553895247 /nfs/dbraw/zinc/89/52/47/553895247.db2.gz LGUJESLACXREBB-HNNXBMFYSA-N 1 2 359.474 2.437 20 30 FEEDLO Cn1nccc1[C@H]1[C@H](CNC(=O)c2csc(=NC3CC3)[nH]2)CCC[N@@H+]1C ZINC000329212416 553903723 /nfs/dbraw/zinc/90/37/23/553903723.db2.gz ZWFCNGPIHBMYNV-BLLLJJGKSA-N 1 2 374.514 2.839 20 30 FEEDLO Cn1nccc1[C@H]1[C@H](CNC(=O)c2csc(=NC3CC3)[nH]2)CCC[N@H+]1C ZINC000329212416 553903725 /nfs/dbraw/zinc/90/37/25/553903725.db2.gz ZWFCNGPIHBMYNV-BLLLJJGKSA-N 1 2 374.514 2.839 20 30 FEEDLO CCN1CCOC[C@@H]1C(=O)NC[C@H](c1cccs1)[N@@H+]1CCO[C@@H](C)C1 ZINC000329222652 553905490 /nfs/dbraw/zinc/90/54/90/553905490.db2.gz WTHWXZXKUIPEMH-ARFHVFGLSA-N 1 2 367.515 2.187 20 30 FEEDLO CCN1CCOC[C@@H]1C(=O)NC[C@H](c1cccs1)[N@H+]1CCO[C@@H](C)C1 ZINC000329222652 553905494 /nfs/dbraw/zinc/90/54/94/553905494.db2.gz WTHWXZXKUIPEMH-ARFHVFGLSA-N 1 2 367.515 2.187 20 30 FEEDLO CN(C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1)C(C1CC1)C1CC1 ZINC000329245847 553909780 /nfs/dbraw/zinc/90/97/80/553909780.db2.gz AJOIQZYECDHVMG-UHFFFAOYSA-N 1 2 371.485 2.135 20 30 FEEDLO CC1(C)C[C@H](NC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)C(C)(C)O1 ZINC000329245506 553909782 /nfs/dbraw/zinc/90/97/82/553909782.db2.gz QOLAAQRCCUUELV-KSSFIOAISA-N 1 2 371.547 2.044 20 30 FEEDLO N#Cc1ccnc(N2CC[NH+]([C@H]3CCCN(c4ccccc4)C3=O)CC2)c1 ZINC000329336660 553927602 /nfs/dbraw/zinc/92/76/02/553927602.db2.gz PJUKUWIQXLTLGS-IBGZPJMESA-N 1 2 361.449 2.271 20 30 FEEDLO Cn1cc[nH+]c1[C@@H](NC(=O)N1CCOCC2(CCC2)C1)C1CCOCC1 ZINC000329338811 553928387 /nfs/dbraw/zinc/92/83/87/553928387.db2.gz NIKSQCPCCALWQJ-INIZCTEOSA-N 1 2 362.474 2.304 20 30 FEEDLO CC(C)CCNC(=O)[C@@H]1CSCN1C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000329348909 553929285 /nfs/dbraw/zinc/92/92/85/553929285.db2.gz DQUFTERGMLGNHA-HIFRSBDPSA-N 1 2 350.488 2.350 20 30 FEEDLO CCn1cc[nH+]c1[C@H](NC(=O)N1C[C@H](C)OC[C@H]1C)C1CCOCC1 ZINC000329365257 553933019 /nfs/dbraw/zinc/93/30/19/553933019.db2.gz GHSIYURIRZXFSY-IJEWVQPXSA-N 1 2 350.463 2.394 20 30 FEEDLO CCn1cc[nH+]c1[C@H](NC(=O)N1C[C@H](C)OC[C@@H]1C)C1CCOCC1 ZINC000329365258 553933041 /nfs/dbraw/zinc/93/30/41/553933041.db2.gz GHSIYURIRZXFSY-OFQRWUPVSA-N 1 2 350.463 2.394 20 30 FEEDLO O=C(N[C@@H]1CN(c2ccc(F)cc2)C1=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000329374785 553934212 /nfs/dbraw/zinc/93/42/12/553934212.db2.gz KNDDNEKNKHWHFM-SJORKVTESA-N 1 2 361.417 2.141 20 30 FEEDLO O=C(N[C@@H]1CN(c2ccc(F)cc2)C1=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000329374785 553934219 /nfs/dbraw/zinc/93/42/19/553934219.db2.gz KNDDNEKNKHWHFM-SJORKVTESA-N 1 2 361.417 2.141 20 30 FEEDLO CC(C)c1cc(C(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)cc(=O)[nH]1 ZINC000329396118 553938648 /nfs/dbraw/zinc/93/86/48/553938648.db2.gz UHEICZPYQAXQOJ-UHFFFAOYSA-N 1 2 374.485 2.160 20 30 FEEDLO Cc1ccc(NC(=O)NC(=O)[C@@H](C)[N@@H+]2CCN3CCOC[C@H]3C2)c(C)c1 ZINC000329400384 553939412 /nfs/dbraw/zinc/93/94/12/553939412.db2.gz BBYKLXGZYGEJIZ-HZPDHXFCSA-N 1 2 360.458 2.210 20 30 FEEDLO Cc1ccc(NC(=O)NC(=O)[C@@H](C)[N@H+]2CCN3CCOC[C@H]3C2)c(C)c1 ZINC000329400384 553939415 /nfs/dbraw/zinc/93/94/15/553939415.db2.gz BBYKLXGZYGEJIZ-HZPDHXFCSA-N 1 2 360.458 2.210 20 30 FEEDLO O=C(N[C@H]1CC(=O)N(c2ccccc2)C1)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000329404117 553940532 /nfs/dbraw/zinc/94/05/32/553940532.db2.gz BIJGQQOKNVTTNL-YJBOKZPZSA-N 1 2 357.454 2.392 20 30 FEEDLO O=C(N[C@H]1CC(=O)N(c2ccccc2)C1)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000329404117 553940534 /nfs/dbraw/zinc/94/05/34/553940534.db2.gz BIJGQQOKNVTTNL-YJBOKZPZSA-N 1 2 357.454 2.392 20 30 FEEDLO C[C@@H]1C[NH+](C(C)(C)CNC(=O)c2nn(C)c3ccccc3c2=O)C[C@@H](C)O1 ZINC000329416529 553942561 /nfs/dbraw/zinc/94/25/61/553942561.db2.gz DFHSIBOVPVYMSM-ZIAGYGMSSA-N 1 2 372.469 2.126 20 30 FEEDLO CC[C@]1(C)CN(C(=O)N[C@@H](c2[nH+]ccn2C)C2CCOCC2)CCO1 ZINC000329425791 553944377 /nfs/dbraw/zinc/94/43/77/553944377.db2.gz GLNIQVWDOIXZPY-CRAIPNDOSA-N 1 2 350.463 2.303 20 30 FEEDLO CO[C@]1(C)CCCN(C(=O)N[C@H](c2[nH+]ccn2C)C2CCOCC2)C1 ZINC000329493187 553956957 /nfs/dbraw/zinc/95/69/57/553956957.db2.gz UEPZCRSGTPFWII-MAUKXSAKSA-N 1 2 350.463 2.303 20 30 FEEDLO O=C(N[C@H]1CCCC12CCOCC2)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000329617444 553977181 /nfs/dbraw/zinc/97/71/81/553977181.db2.gz FVTJVBGBRQELLU-IRXDYDNUSA-N 1 2 351.491 2.046 20 30 FEEDLO O=C(NCc1ccc[nH+]c1N1CCOCC1)NC[C@@H]1CCCCS1 ZINC000329629387 553979694 /nfs/dbraw/zinc/97/96/94/553979694.db2.gz HMXNMZPGGJBRNO-HNNXBMFYSA-N 1 2 350.488 2.208 20 30 FEEDLO COc1ccc(OC)c(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](N3CCOCC3)C2)c1 ZINC000329683583 553987952 /nfs/dbraw/zinc/98/79/52/553987952.db2.gz XUPFGRDZACQJSW-HUUCEWRRSA-N 1 2 363.458 2.087 20 30 FEEDLO COc1ccc(OC)c(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](N3CCOCC3)C2)c1 ZINC000329683583 553987954 /nfs/dbraw/zinc/98/79/54/553987954.db2.gz XUPFGRDZACQJSW-HUUCEWRRSA-N 1 2 363.458 2.087 20 30 FEEDLO COc1ccc(OC)c(NC(=O)[C@@H](C)N2CC[C@@H]([NH+]3CCOCC3)C2)c1 ZINC000329683583 553987956 /nfs/dbraw/zinc/98/79/56/553987956.db2.gz XUPFGRDZACQJSW-HUUCEWRRSA-N 1 2 363.458 2.087 20 30 FEEDLO CC(C)O[C@@H]1C[C@@H](NC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)C1(C)C ZINC000329683896 553988005 /nfs/dbraw/zinc/98/80/05/553988005.db2.gz XVQKMKPRANGWPF-GVDBMIGSSA-N 1 2 353.507 2.289 20 30 FEEDLO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)NC2CC(C(F)(F)F)C2)CC1 ZINC000329696863 553991347 /nfs/dbraw/zinc/99/13/47/553991347.db2.gz DRGCHDRWXMLOGX-UHFFFAOYSA-N 1 2 373.423 2.409 20 30 FEEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)c1cn(C3CCOCC3)nn1)C2 ZINC000329804355 554009220 /nfs/dbraw/zinc/00/92/20/554009220.db2.gz ZXSOQKGASDBJLM-ZDUSSCGKSA-N 1 2 372.473 2.443 20 30 FEEDLO C[C@H](C(=O)Nc1ccc2c(c1)OC(F)(F)O2)[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000329870877 554022471 /nfs/dbraw/zinc/02/24/71/554022471.db2.gz AIEUXICSKINBFW-BZNIZROVSA-N 1 2 370.352 2.476 20 30 FEEDLO C[C@H](C(=O)Nc1ccc2c(c1)OC(F)(F)O2)[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC000329870877 554022473 /nfs/dbraw/zinc/02/24/73/554022473.db2.gz AIEUXICSKINBFW-BZNIZROVSA-N 1 2 370.352 2.476 20 30 FEEDLO Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)[C@@H]2C[N@H+](C)CCO2)c(C)c1 ZINC000329873059 554022926 /nfs/dbraw/zinc/02/29/26/554022926.db2.gz BXCPHDRGRORPAY-HOTGVXAUSA-N 1 2 363.483 2.124 20 30 FEEDLO Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)[C@@H]2C[N@@H+](C)CCO2)c(C)c1 ZINC000329873059 554022927 /nfs/dbraw/zinc/02/29/27/554022927.db2.gz BXCPHDRGRORPAY-HOTGVXAUSA-N 1 2 363.483 2.124 20 30 FEEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)Nc3cc4c(cc3Cl)OCCCO4)C[C@@H]21 ZINC000329913661 554030343 /nfs/dbraw/zinc/03/03/43/554030343.db2.gz BZAJKAPXHOLBHB-BBRMVZONSA-N 1 2 367.833 2.062 20 30 FEEDLO C[N@H+]1CCO[C@H]2CN(C(=O)Nc3cc4c(cc3Cl)OCCCO4)C[C@@H]21 ZINC000329913661 554030345 /nfs/dbraw/zinc/03/03/45/554030345.db2.gz BZAJKAPXHOLBHB-BBRMVZONSA-N 1 2 367.833 2.062 20 30 FEEDLO Cc1cc(C[N@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)NC[C@]2(C)CCCO2)on1 ZINC000329917193 554031262 /nfs/dbraw/zinc/03/12/62/554031262.db2.gz QSKKYBXSWVWXQG-MPGHIAIKSA-N 1 2 368.453 2.310 20 30 FEEDLO Cc1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)NC[C@]2(C)CCCO2)on1 ZINC000329917193 554031263 /nfs/dbraw/zinc/03/12/63/554031263.db2.gz QSKKYBXSWVWXQG-MPGHIAIKSA-N 1 2 368.453 2.310 20 30 FEEDLO COc1cccc(C[C@H](C)NC(=O)N2CCN(C)[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000329946266 554036595 /nfs/dbraw/zinc/03/65/95/554036595.db2.gz GHFAEXUVLPEZMD-MAUKXSAKSA-N 1 2 371.485 2.262 20 30 FEEDLO CO[C@@H]1CC[C@H](NC(=O)N(C)C[C@@H]2C[C@H](F)C[N@@H+]2Cc2cc(C)no2)C1 ZINC000329950176 554037532 /nfs/dbraw/zinc/03/75/32/554037532.db2.gz MFOQNGLQAVPULL-YHUYYLMFSA-N 1 2 368.453 2.309 20 30 FEEDLO CO[C@@H]1CC[C@H](NC(=O)N(C)C[C@@H]2C[C@H](F)C[N@H+]2Cc2cc(C)no2)C1 ZINC000329950176 554037536 /nfs/dbraw/zinc/03/75/36/554037536.db2.gz MFOQNGLQAVPULL-YHUYYLMFSA-N 1 2 368.453 2.309 20 30 FEEDLO O=C(C[N@H+]1CCSC[C@@H]1CCO)Nc1ccc2c(c1)OCCCO2 ZINC000329953695 554038060 /nfs/dbraw/zinc/03/80/60/554038060.db2.gz NKIFVKATACSFKM-AWEZNQCLSA-N 1 2 352.456 2.236 20 30 FEEDLO O=C(C[N@@H+]1CCSC[C@@H]1CCO)Nc1ccc2c(c1)OCCCO2 ZINC000329953695 554038065 /nfs/dbraw/zinc/03/80/65/554038065.db2.gz NKIFVKATACSFKM-AWEZNQCLSA-N 1 2 352.456 2.236 20 30 FEEDLO CC1(C)CCC[C@H](NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000329967717 554040832 /nfs/dbraw/zinc/04/08/32/554040832.db2.gz SQOXDKJHKDYZOD-CVEARBPZSA-N 1 2 351.491 2.092 20 30 FEEDLO Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)cc1 ZINC000329978221 554042900 /nfs/dbraw/zinc/04/29/00/554042900.db2.gz HDUIILPKZORUGV-FYQPLNBISA-N 1 2 373.497 2.392 20 30 FEEDLO Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)cc1 ZINC000329978221 554042902 /nfs/dbraw/zinc/04/29/02/554042902.db2.gz HDUIILPKZORUGV-FYQPLNBISA-N 1 2 373.497 2.392 20 30 FEEDLO CC(C)(CNC(=O)NC[C@H]1CCC2(CCCCC2)O1)[NH+]1CCOCC1 ZINC000330013940 554049801 /nfs/dbraw/zinc/04/98/01/554049801.db2.gz AKKSZHWUMQBUSY-MRXNPFEDSA-N 1 2 353.507 2.483 20 30 FEEDLO CC1(C)COCC[N@@H+]1CCNC(=O)NC[C@H]1CCC2(CCCCC2)O1 ZINC000330047559 554054357 /nfs/dbraw/zinc/05/43/57/554054357.db2.gz HTUZPSFDWAQSGT-MRXNPFEDSA-N 1 2 353.507 2.483 20 30 FEEDLO CC1(C)COCC[N@H+]1CCNC(=O)NC[C@H]1CCC2(CCCCC2)O1 ZINC000330047559 554054359 /nfs/dbraw/zinc/05/43/59/554054359.db2.gz HTUZPSFDWAQSGT-MRXNPFEDSA-N 1 2 353.507 2.483 20 30 FEEDLO CCN1CCN(C(=O)Nc2cccc(C(=O)N(C)C)c2)C[C@H]1c1[nH]cc[nH+]1 ZINC000330060943 554057159 /nfs/dbraw/zinc/05/71/59/554057159.db2.gz NNXSAADMPJNHKJ-INIZCTEOSA-N 1 2 370.457 2.036 20 30 FEEDLO C[C@H]([C@H](C)NC(=O)NC[C@@H]1CCC2(CCCCC2)O1)[NH+]1CCOCC1 ZINC000330082574 554061873 /nfs/dbraw/zinc/06/18/73/554061873.db2.gz HCCVWUQBJRTRMV-BBWFWOEESA-N 1 2 353.507 2.481 20 30 FEEDLO Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@@H+]1C[C@H](C)O[C@]2(CCCOC2)C1 ZINC000330098091 554064059 /nfs/dbraw/zinc/06/40/59/554064059.db2.gz BLLNYJNBRFJWNG-XLWVJDPXSA-N 1 2 350.463 2.283 20 30 FEEDLO Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@H+]1C[C@H](C)O[C@]2(CCCOC2)C1 ZINC000330098091 554064060 /nfs/dbraw/zinc/06/40/60/554064060.db2.gz BLLNYJNBRFJWNG-XLWVJDPXSA-N 1 2 350.463 2.283 20 30 FEEDLO C[C@@H]1c2nncn2CCN1C(=O)N[C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000330106399 554065833 /nfs/dbraw/zinc/06/58/33/554065833.db2.gz KVSPPSGQZKWHNO-OLZOCXBDSA-N 1 2 357.462 2.078 20 30 FEEDLO CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000330156021 554075786 /nfs/dbraw/zinc/07/57/86/554075786.db2.gz OJXJHJGESDXCLN-NSHDSACASA-N 1 2 361.471 2.227 20 30 FEEDLO CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000330156021 554075791 /nfs/dbraw/zinc/07/57/91/554075791.db2.gz OJXJHJGESDXCLN-NSHDSACASA-N 1 2 361.471 2.227 20 30 FEEDLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)N[C@@H]1CCOC2(CCOCC2)C1 ZINC000330231392 554089882 /nfs/dbraw/zinc/08/98/82/554089882.db2.gz RBBJAVOXXJGJNZ-QGZVFWFLSA-N 1 2 374.485 2.414 20 30 FEEDLO C[C@H](C(=O)NC1CCCC1)N1CC[NH+](CCOc2ccc(C#N)cc2)CC1 ZINC000507721177 561739009 /nfs/dbraw/zinc/73/90/09/561739009.db2.gz AHVKMJMXFYPOHD-QGZVFWFLSA-N 1 2 370.497 2.002 20 30 FEEDLO C[C@@H]1CCN(C(=O)N[C@@H]2CCOC3(CCOCC3)C2)C[C@H]1n1cc[nH+]c1 ZINC000330252677 554093571 /nfs/dbraw/zinc/09/35/71/554093571.db2.gz IMXPNIXTZSPPNK-BRWVUGGUSA-N 1 2 362.474 2.408 20 30 FEEDLO C[C@@H]1CCN(C([O-])=[NH+][C@@H]2CCOC3(CCOCC3)C2)C[C@H]1n1cc[nH+]c1 ZINC000330252677 554093573 /nfs/dbraw/zinc/09/35/73/554093573.db2.gz IMXPNIXTZSPPNK-BRWVUGGUSA-N 1 2 362.474 2.408 20 30 FEEDLO CCO[C@@H]1C[C@H](NC(=O)N[C@@H]2CCO[C@H](c3c[nH+]cn3C)C2)C12CCC2 ZINC000330322489 554105011 /nfs/dbraw/zinc/10/50/11/554105011.db2.gz GWZFBAZBICMHNM-BSWAZPDLSA-N 1 2 362.474 2.492 20 30 FEEDLO Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)c2cnc3c(c2)NC(=O)CO3)CCO1 ZINC000330331165 554106511 /nfs/dbraw/zinc/10/65/11/554106511.db2.gz NWTPYFOKQRPICG-FZMZJTMJSA-N 1 2 357.370 2.020 20 30 FEEDLO C[C@@H]1C[N@H+](C)[C@H](C)CN1S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000507887253 561744635 /nfs/dbraw/zinc/74/46/35/561744635.db2.gz JOOZFGJYAYRUGF-GHMZBOCLSA-N 1 2 361.389 2.290 20 30 FEEDLO C[C@@H]1C[N@@H+](C)[C@H](C)CN1S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000507887253 561744636 /nfs/dbraw/zinc/74/46/36/561744636.db2.gz JOOZFGJYAYRUGF-GHMZBOCLSA-N 1 2 361.389 2.290 20 30 FEEDLO CCC(=O)N[C@H]1CCC[N@@H+]([C@H](C)C(=O)NC(=O)Nc2ccc(C)cc2C)C1 ZINC000330748768 554166072 /nfs/dbraw/zinc/16/60/72/554166072.db2.gz HBKZVATWJVHMSW-CVEARBPZSA-N 1 2 374.485 2.344 20 30 FEEDLO CCC(=O)N[C@H]1CCC[N@H+]([C@H](C)C(=O)NC(=O)Nc2ccc(C)cc2C)C1 ZINC000330748768 554166075 /nfs/dbraw/zinc/16/60/75/554166075.db2.gz HBKZVATWJVHMSW-CVEARBPZSA-N 1 2 374.485 2.344 20 30 FEEDLO CN(C(=O)C[NH+]1CCN(c2ccccc2C#N)CC1)C1(C#N)CCCCC1 ZINC000332047961 554369728 /nfs/dbraw/zinc/36/97/28/554369728.db2.gz LDQDRUOJZOISJN-UHFFFAOYSA-N 1 2 365.481 2.365 20 30 FEEDLO C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000332067409 554373048 /nfs/dbraw/zinc/37/30/48/554373048.db2.gz SWBNFASMMLITGP-DFEOGRTESA-N 1 2 369.513 2.405 20 30 FEEDLO C[C@@H]1CCC[C@@H](NC(=O)C[NH+]2CCN(c3cc(C#N)ccn3)CC2)[C@H]1C ZINC000332068593 554373464 /nfs/dbraw/zinc/37/34/64/554373464.db2.gz AMPVLWWZQSIYRG-SOLBZPMBSA-N 1 2 355.486 2.016 20 30 FEEDLO N#Cc1cc(S(=O)(=O)N2CCC(n3cc[nH+]c3)CC2)ccc1Cl ZINC000332483400 554454091 /nfs/dbraw/zinc/45/40/91/554454091.db2.gz XKBRZADXXCDBNX-UHFFFAOYSA-N 1 2 350.831 2.434 20 30 FEEDLO CC(C)(C)n1nnnc1C[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000332486455 554454852 /nfs/dbraw/zinc/45/48/52/554454852.db2.gz SMXSVSXHUONMLQ-UHFFFAOYSA-N 1 2 367.457 2.150 20 30 FEEDLO CC(C)(C#N)CNC(=O)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000510708320 561844142 /nfs/dbraw/zinc/84/41/42/561844142.db2.gz XPVNYRJDINZROV-UHFFFAOYSA-N 1 2 363.421 2.206 20 30 FEEDLO C[C@@H]1C[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)CC2(CCOCC2)O1 ZINC000333248817 554594275 /nfs/dbraw/zinc/59/42/75/554594275.db2.gz CWJCLSQYPQFZGL-CQSZACIVSA-N 1 2 354.410 2.378 20 30 FEEDLO C[C@@H]1C[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)CC2(CCOCC2)O1 ZINC000333248817 554594276 /nfs/dbraw/zinc/59/42/76/554594276.db2.gz CWJCLSQYPQFZGL-CQSZACIVSA-N 1 2 354.410 2.378 20 30 FEEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)C2CC(OCc3ccccc3)C2)c1C#N ZINC000611166286 554611199 /nfs/dbraw/zinc/61/11/99/554611199.db2.gz ZEPBLEMKAXCVQM-UHFFFAOYSA-N 1 2 367.453 2.367 20 30 FEEDLO CN(CCCOc1ccc(F)cc1)C(=O)C[NH+]1CCC(F)(C#N)CC1 ZINC000510947155 561851776 /nfs/dbraw/zinc/85/17/76/561851776.db2.gz NBXUHCNXBQUCBR-UHFFFAOYSA-N 1 2 351.397 2.381 20 30 FEEDLO C[NH+]1CCN(C(=O)c2ccc(-c3noc(CCCCCC#N)n3)cn2)CC1 ZINC000350149811 554763277 /nfs/dbraw/zinc/76/32/77/554763277.db2.gz BMXYEYBFUBRIMM-UHFFFAOYSA-N 1 2 368.441 2.146 20 30 FEEDLO Cc1cc(C#N)ccc1C(=O)N1CCC2(CC1)NC(=O)C1(CCCCC1)[NH2+]2 ZINC000360341433 554871837 /nfs/dbraw/zinc/87/18/37/554871837.db2.gz FPWCKJVSTUGKLJ-UHFFFAOYSA-N 1 2 366.465 2.221 20 30 FEEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+](C)[C@H]2CCN(C)C2=O)c1C#N ZINC000511603594 561874045 /nfs/dbraw/zinc/87/40/45/561874045.db2.gz IDTOXHZTSGVGMT-KRWDZBQOSA-N 1 2 371.485 2.193 20 30 FEEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+](C)[C@H]2CCN(C)C2=O)c1C#N ZINC000511603594 561874046 /nfs/dbraw/zinc/87/40/46/561874046.db2.gz IDTOXHZTSGVGMT-KRWDZBQOSA-N 1 2 371.485 2.193 20 30 FEEDLO C=CCNC(=O)NC(=O)C[N@@H+](C)[C@@H](c1ccc(F)cc1)c1cccnc1 ZINC000363018093 555011354 /nfs/dbraw/zinc/01/13/54/555011354.db2.gz XLNGLXQRAKKYEP-SFHVURJKSA-N 1 2 356.401 2.254 20 30 FEEDLO C=CCNC(=O)NC(=O)C[N@H+](C)[C@@H](c1ccc(F)cc1)c1cccnc1 ZINC000363018093 555011356 /nfs/dbraw/zinc/01/13/56/555011356.db2.gz XLNGLXQRAKKYEP-SFHVURJKSA-N 1 2 356.401 2.254 20 30 FEEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CCC[C@H](C(=O)Nc3nccs3)C2)c1 ZINC000363023943 555012794 /nfs/dbraw/zinc/01/27/94/555012794.db2.gz XXSLSLDCCFCJDD-AWEZNQCLSA-N 1 2 369.450 2.304 20 30 FEEDLO N#Cc1cccc(NC(=O)C[N@H+]2CCC[C@H](C(=O)Nc3nccs3)C2)c1 ZINC000363023943 555012796 /nfs/dbraw/zinc/01/27/96/555012796.db2.gz XXSLSLDCCFCJDD-AWEZNQCLSA-N 1 2 369.450 2.304 20 30 FEEDLO C=CCN(CC1CCCCC1)C(=O)c1cnn(CC[NH+]2CCOCC2)c1 ZINC000363049301 555018434 /nfs/dbraw/zinc/01/84/34/555018434.db2.gz HUQNBQXKRBVOHO-UHFFFAOYSA-N 1 2 360.502 2.424 20 30 FEEDLO N#Cc1cscc1C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000511844740 561882406 /nfs/dbraw/zinc/88/24/06/561882406.db2.gz NAKHCWKUXDUWJP-MSOLQXFVSA-N 1 2 353.447 2.345 20 30 FEEDLO N#Cc1cscc1C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000511844740 561882407 /nfs/dbraw/zinc/88/24/07/561882407.db2.gz NAKHCWKUXDUWJP-MSOLQXFVSA-N 1 2 353.447 2.345 20 30 FEEDLO CN(C(=O)C[N@@H+]1CCCN(c2ncccc2F)CC1)C1(C#N)CCCCC1 ZINC000363912643 555212248 /nfs/dbraw/zinc/21/22/48/555212248.db2.gz UPLRWANZFRHHAJ-UHFFFAOYSA-N 1 2 373.476 2.418 20 30 FEEDLO CN(C(=O)C[N@H+]1CCCN(c2ncccc2F)CC1)C1(C#N)CCCCC1 ZINC000363912643 555212249 /nfs/dbraw/zinc/21/22/49/555212249.db2.gz UPLRWANZFRHHAJ-UHFFFAOYSA-N 1 2 373.476 2.418 20 30 FEEDLO Cc1cc[nH+]cc1N1CCN(C(=O)NCC#Cc2cccc(F)c2)CC1 ZINC000512178878 561895087 /nfs/dbraw/zinc/89/50/87/561895087.db2.gz BIYQRXSPFLRNQC-UHFFFAOYSA-N 1 2 352.413 2.412 20 30 FEEDLO COc1ccccc1CC(=O)N1CCC[N@H+](C[C@H](C#N)CCC#N)CC1 ZINC000364022487 555235156 /nfs/dbraw/zinc/23/51/56/555235156.db2.gz OFZQGVGYTBCIOJ-KRWDZBQOSA-N 1 2 354.454 2.216 20 30 FEEDLO COc1ccccc1CC(=O)N1CCC[N@@H+](C[C@H](C#N)CCC#N)CC1 ZINC000364022487 555235157 /nfs/dbraw/zinc/23/51/57/555235157.db2.gz OFZQGVGYTBCIOJ-KRWDZBQOSA-N 1 2 354.454 2.216 20 30 FEEDLO Cc1ccc([C@H](CNC(=O)c2cnccc2C#N)[NH+]2CCOCC2)cc1 ZINC000512270980 561898160 /nfs/dbraw/zinc/89/81/60/561898160.db2.gz OUOIKYDLUCRQDJ-IBGZPJMESA-N 1 2 350.422 2.065 20 30 FEEDLO N#Cc1c(F)cccc1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000364478556 555321040 /nfs/dbraw/zinc/32/10/40/555321040.db2.gz WGCPYYAWUPJTHR-MRXNPFEDSA-N 1 2 353.397 2.328 20 30 FEEDLO N#Cc1c(F)cccc1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000364478556 555321041 /nfs/dbraw/zinc/32/10/41/555321041.db2.gz WGCPYYAWUPJTHR-MRXNPFEDSA-N 1 2 353.397 2.328 20 30 FEEDLO Cc1[nH+]c2ccccn2c1[C@@H]1C(=O)NCCN1Cc1cc(C#N)ccc1F ZINC000365160662 555498293 /nfs/dbraw/zinc/49/82/93/555498293.db2.gz AJFNKODVLCRLJO-LJQANCHMSA-N 1 2 363.396 2.327 20 30 FEEDLO C=CCN1CC(=O)N([C@H](CC)[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1=O ZINC000365333258 555545820 /nfs/dbraw/zinc/54/58/20/555545820.db2.gz WLJIAELUJWVEAB-QZTJIDSGSA-N 1 2 357.454 2.116 20 30 FEEDLO C=CCN1CC(=O)N([C@H](CC)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1=O ZINC000365333258 555545823 /nfs/dbraw/zinc/54/58/23/555545823.db2.gz WLJIAELUJWVEAB-QZTJIDSGSA-N 1 2 357.454 2.116 20 30 FEEDLO N#C[C@@H]1N(C(=O)c2ccc(-n3cc[nH+]c3)nc2)CCC[C@@]12CCCCO2 ZINC000366181394 555773984 /nfs/dbraw/zinc/77/39/84/555773984.db2.gz IWIQCHCUCRUHRL-LPHOPBHVSA-N 1 2 351.410 2.335 20 30 FEEDLO N#C[C@H]1N(C(=O)c2ccc(-n3cc[nH+]c3)nc2)CCC[C@@]12CCCCO2 ZINC000366181392 555774126 /nfs/dbraw/zinc/77/41/26/555774126.db2.gz IWIQCHCUCRUHRL-APWZRJJASA-N 1 2 351.410 2.335 20 30 FEEDLO C=CCN(Cc1ccc(OC)cc1)C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000366529875 555868879 /nfs/dbraw/zinc/86/88/79/555868879.db2.gz QTSGDHWUEYSBAJ-IBGZPJMESA-N 1 2 359.470 2.256 20 30 FEEDLO C=CCN(Cc1ccc(OC)cc1)C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000366529875 555868881 /nfs/dbraw/zinc/86/88/81/555868881.db2.gz QTSGDHWUEYSBAJ-IBGZPJMESA-N 1 2 359.470 2.256 20 30 FEEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)N2CCc3sccc3[C@@H]2CC)C1=O ZINC000366873501 555956989 /nfs/dbraw/zinc/95/69/89/555956989.db2.gz ZVJTUUVPSYQURV-JKSUJKDBSA-N 1 2 361.511 2.303 20 30 FEEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)N2CCc3sccc3[C@@H]2CC)C1=O ZINC000366873501 555956990 /nfs/dbraw/zinc/95/69/90/555956990.db2.gz ZVJTUUVPSYQURV-JKSUJKDBSA-N 1 2 361.511 2.303 20 30 FEEDLO Cc1cccc([C@@H]2CCC[N@@H+]2CCS(=O)(=O)c2ccc(C#N)cn2)n1 ZINC000367369644 556030392 /nfs/dbraw/zinc/03/03/92/556030392.db2.gz GGGNCMXVVGFHPJ-KRWDZBQOSA-N 1 2 356.451 2.268 20 30 FEEDLO Cc1cccc([C@@H]2CCC[N@H+]2CCS(=O)(=O)c2ccc(C#N)cn2)n1 ZINC000367369644 556030394 /nfs/dbraw/zinc/03/03/94/556030394.db2.gz GGGNCMXVVGFHPJ-KRWDZBQOSA-N 1 2 356.451 2.268 20 30 FEEDLO C=C(C)COc1cc(C[N@@H+]2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)ccc1OC ZINC000367683347 556113929 /nfs/dbraw/zinc/11/39/29/556113929.db2.gz HZDSNOGJHMMZQY-MAUKXSAKSA-N 1 2 351.468 2.269 20 30 FEEDLO C=C(C)COc1cc(C[N@H+]2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)ccc1OC ZINC000367683347 556113931 /nfs/dbraw/zinc/11/39/31/556113931.db2.gz HZDSNOGJHMMZQY-MAUKXSAKSA-N 1 2 351.468 2.269 20 30 FEEDLO C=CCc1cc(C(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)cc(OC)c1OC ZINC000367745715 556128444 /nfs/dbraw/zinc/12/84/44/556128444.db2.gz HVUNYZZOAAYSAQ-MAUKXSAKSA-N 1 2 374.481 2.368 20 30 FEEDLO C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCN(CC)[C@@H](c2[nH]cc[nH+]2)C1 ZINC000367866193 556159590 /nfs/dbraw/zinc/15/95/90/556159590.db2.gz SIGYEQVXSGQTGB-RBUKOAKNSA-N 1 2 365.481 2.433 20 30 FEEDLO C[C@@H]([NH2+]CC(=O)N[C@@](C)(C#N)C1CC1)c1nc(-c2ccc(F)cc2)no1 ZINC000368323614 556278273 /nfs/dbraw/zinc/27/82/73/556278273.db2.gz HXTAGKDQFYOYOQ-ZMZPIMSZSA-N 1 2 357.389 2.335 20 30 FEEDLO C=CCC[C@@H](NC(=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000515245716 562002484 /nfs/dbraw/zinc/00/24/84/562002484.db2.gz ZTNRTSXLMMQQNT-DLBZAZTESA-N 1 2 352.438 2.138 20 30 FEEDLO COc1ccc(C(=O)N2CC[NH+]([C@H]3CC[C@@H](C#N)C3)CC2)c(OC)c1OC ZINC000515314821 562004852 /nfs/dbraw/zinc/00/48/52/562004852.db2.gz PTJYXDNUDVWRPV-CABCVRRESA-N 1 2 373.453 2.162 20 30 FEEDLO COc1ccc(C(=O)N2CC[NH+]([C@@H]3CC[C@H](C#N)C3)CC2)c(OC)c1OC ZINC000515314824 562004859 /nfs/dbraw/zinc/00/48/59/562004859.db2.gz PTJYXDNUDVWRPV-LSDHHAIUSA-N 1 2 373.453 2.162 20 30 FEEDLO N#Cc1cccc(CS(=O)(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000515754843 562021239 /nfs/dbraw/zinc/02/12/39/562021239.db2.gz RORBABYDIBPHBT-UHFFFAOYSA-N 1 2 366.446 2.423 20 30 FEEDLO C=CCNC(=O)NC(=O)C[N@@H+](C)[C@H](c1ccc(C)cc1)c1ccccn1 ZINC000369120852 556510085 /nfs/dbraw/zinc/51/00/85/556510085.db2.gz ZJYZFCTWLFTGPK-LJQANCHMSA-N 1 2 352.438 2.423 20 30 FEEDLO C=CCNC(=O)NC(=O)C[N@H+](C)[C@H](c1ccc(C)cc1)c1ccccn1 ZINC000369120852 556510089 /nfs/dbraw/zinc/51/00/89/556510089.db2.gz ZJYZFCTWLFTGPK-LJQANCHMSA-N 1 2 352.438 2.423 20 30 FEEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCO[C@]2(CCO[C@H]2C)C1 ZINC000369318305 556573260 /nfs/dbraw/zinc/57/32/60/556573260.db2.gz BBYUBNUCTKPCOZ-NNMQDGNJSA-N 1 2 363.502 2.186 20 30 FEEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCO[C@]2(CCO[C@H]2C)C1 ZINC000369318305 556573264 /nfs/dbraw/zinc/57/32/64/556573264.db2.gz BBYUBNUCTKPCOZ-NNMQDGNJSA-N 1 2 363.502 2.186 20 30 FEEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+]1CCCO[C@@H]2CCC[C@@H]21 ZINC000369456485 556604614 /nfs/dbraw/zinc/60/46/14/556604614.db2.gz GBPGRIBCFAMWPP-ZWKOTPCHSA-N 1 2 365.437 2.326 20 30 FEEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+]1CCCO[C@@H]2CCC[C@@H]21 ZINC000369456485 556604617 /nfs/dbraw/zinc/60/46/17/556604617.db2.gz GBPGRIBCFAMWPP-ZWKOTPCHSA-N 1 2 365.437 2.326 20 30 FEEDLO C[C@@H](C(=O)Nc1ccccc1C#N)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000369808857 556701167 /nfs/dbraw/zinc/70/11/67/556701167.db2.gz NWDGJOZHCJFTSF-WMZOPIPTSA-N 1 2 356.470 2.072 20 30 FEEDLO Cc1oc(NC(=O)[C@@H](C)[NH+]2CCC(CN3CCCC3=O)CC2)c(C#N)c1C ZINC000369811360 556701911 /nfs/dbraw/zinc/70/19/11/556701911.db2.gz QMZDAQFSEIETLU-CQSZACIVSA-N 1 2 372.469 2.430 20 30 FEEDLO C=CCOc1ccccc1CNC(=O)C1(N2CC[NH+](C)CC2)CCCC1 ZINC000369927963 556732488 /nfs/dbraw/zinc/73/24/88/556732488.db2.gz RXJRMSSGSWQCKM-UHFFFAOYSA-N 1 2 357.498 2.428 20 30 FEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[NH+]1CCC(CN2CCCC2=O)CC1 ZINC000370228812 556816694 /nfs/dbraw/zinc/81/66/94/556816694.db2.gz ZTSYWVLJIKGHHT-IBGZPJMESA-N 1 2 355.438 2.107 20 30 FEEDLO CCOC(=O)c1nn(C)cc1C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000370298461 556833230 /nfs/dbraw/zinc/83/32/30/556833230.db2.gz PHPQJUSFVDEHNV-UHFFFAOYSA-N 1 2 353.426 2.049 20 30 FEEDLO CCOC(=O)C[N@@H+]1CCCN(C(=O)C[C@@H](CC#N)c2ccccc2)CC1 ZINC000370484170 556886553 /nfs/dbraw/zinc/88/65/53/556886553.db2.gz NMGCOABXCKYTGG-GOSISDBHSA-N 1 2 357.454 2.171 20 30 FEEDLO CCOC(=O)C[N@H+]1CCCN(C(=O)C[C@@H](CC#N)c2ccccc2)CC1 ZINC000370484170 556886555 /nfs/dbraw/zinc/88/65/55/556886555.db2.gz NMGCOABXCKYTGG-GOSISDBHSA-N 1 2 357.454 2.171 20 30 FEEDLO N#Cc1ccsc1NC(=O)C[NH+]1CCC(CO)(Nc2ccccc2)CC1 ZINC000371188710 557101892 /nfs/dbraw/zinc/10/18/92/557101892.db2.gz NFQUMRIJNUZVOG-UHFFFAOYSA-N 1 2 370.478 2.497 20 30 FEEDLO C=C[C@H](CC(=O)NC[C@@]1([NH+]2CCOCC2)CCCOC1)c1ccccc1 ZINC000371301189 557136851 /nfs/dbraw/zinc/13/68/51/557136851.db2.gz SQKISGFEDWVJTO-NQIIRXRSSA-N 1 2 358.482 2.344 20 30 FEEDLO COc1cc(C#N)ccc1OCCCC(=O)N[C@H]1CCc2[nH+]c(C)cn2C1 ZINC000371490794 557198446 /nfs/dbraw/zinc/19/84/46/557198446.db2.gz IMCLUZDOEYPKJQ-INIZCTEOSA-N 1 2 368.437 2.362 20 30 FEEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)C(=O)Nc1cccc(C#N)c1C)CCC2 ZINC000372223757 557414314 /nfs/dbraw/zinc/41/43/14/557414314.db2.gz MCYFPCPYKHOVIY-HNNXBMFYSA-N 1 2 351.410 2.004 20 30 FEEDLO N#C[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(F)cc2F)C[C@@]12C(=O)Nc1ccccc12 ZINC000372229199 557416071 /nfs/dbraw/zinc/41/60/71/557416071.db2.gz UHDVVKHPEIZGPI-ZQBYOIRZSA-N 1 2 369.371 2.344 20 30 FEEDLO N#C[C@@H]1C[N@H+](C[C@@H](O)c2ccc(F)cc2F)C[C@@]12C(=O)Nc1ccccc12 ZINC000372229199 557416073 /nfs/dbraw/zinc/41/60/73/557416073.db2.gz UHDVVKHPEIZGPI-ZQBYOIRZSA-N 1 2 369.371 2.344 20 30 FEEDLO N#Cc1c(F)cccc1C(=O)N1CCC2(CC1)NC(=O)C1(CCCCC1)[NH2+]2 ZINC000372494948 557485558 /nfs/dbraw/zinc/48/55/58/557485558.db2.gz DGMMHNRQGDDORY-UHFFFAOYSA-N 1 2 370.428 2.052 20 30 FEEDLO N#Cc1ncccc1S(=O)(=O)N1C[C@@H](n2cc[nH+]c2)Cc2ccccc21 ZINC000372990508 557605137 /nfs/dbraw/zinc/60/51/37/557605137.db2.gz OPOFKMPULQWPLF-HNNXBMFYSA-N 1 2 365.418 2.142 20 30 FEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)COc1ccc(Br)cc1Cl ZINC000519798638 562144243 /nfs/dbraw/zinc/14/42/43/562144243.db2.gz VIJSXQQVCCMYSU-CQSZACIVSA-N 1 2 374.666 2.441 20 30 FEEDLO CC(=O)Oc1ccc(C[N@@H+]2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)cc1 ZINC000374348363 557869591 /nfs/dbraw/zinc/86/95/91/557869591.db2.gz FXKNCDJYHKOHCT-IIBYNOLFSA-N 1 2 361.401 2.457 20 30 FEEDLO CC(=O)Oc1ccc(C[N@H+]2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)cc1 ZINC000374348363 557869592 /nfs/dbraw/zinc/86/95/92/557869592.db2.gz FXKNCDJYHKOHCT-IIBYNOLFSA-N 1 2 361.401 2.457 20 30 FEEDLO N#CCCCCS(=O)(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000374405277 557879851 /nfs/dbraw/zinc/87/98/51/557879851.db2.gz WSTREOYZHUQJKA-HNNXBMFYSA-N 1 2 350.488 2.422 20 30 FEEDLO N#Cc1cccc(S(=O)(=O)CC[NH+]2CCC([C@H]3CCCOC3)CC2)c1 ZINC000374737954 557923720 /nfs/dbraw/zinc/92/37/20/557923720.db2.gz UTCXQEPFMGCWDZ-SFHVURJKSA-N 1 2 362.495 2.471 20 30 FEEDLO Cc1n[nH]cc1C1CC[NH+](CCS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000375338108 558011317 /nfs/dbraw/zinc/01/13/17/558011317.db2.gz WBBMVJDDXYGLCB-UHFFFAOYSA-N 1 2 358.467 2.243 20 30 FEEDLO Cc1nnc([C@@H]2CC[N@@H+]([C@H](C)C(=O)N(CCC#N)c3ccccc3)C2)[nH]1 ZINC000521574537 562179004 /nfs/dbraw/zinc/17/90/04/562179004.db2.gz NBQWXYJUZWOQPG-GDBMZVCRSA-N 1 2 352.442 2.238 20 30 FEEDLO Cc1nnc([C@@H]2CC[N@H+]([C@H](C)C(=O)N(CCC#N)c3ccccc3)C2)[nH]1 ZINC000521574537 562179005 /nfs/dbraw/zinc/17/90/05/562179005.db2.gz NBQWXYJUZWOQPG-GDBMZVCRSA-N 1 2 352.442 2.238 20 30 FEEDLO Cc1n[nH]c([C@@H]2CC[N@@H+]([C@H](C)C(=O)N(CCC#N)c3ccccc3)C2)n1 ZINC000521574537 562179006 /nfs/dbraw/zinc/17/90/06/562179006.db2.gz NBQWXYJUZWOQPG-GDBMZVCRSA-N 1 2 352.442 2.238 20 30 FEEDLO Cc1n[nH]c([C@@H]2CC[N@H+]([C@H](C)C(=O)N(CCC#N)c3ccccc3)C2)n1 ZINC000521574537 562179007 /nfs/dbraw/zinc/17/90/07/562179007.db2.gz NBQWXYJUZWOQPG-GDBMZVCRSA-N 1 2 352.442 2.238 20 30 FEEDLO Cc1nc([C@@H]2CC[N@@H+]([C@H](C)C(=O)N(CCC#N)c3ccccc3)C2)n[nH]1 ZINC000521574537 562179008 /nfs/dbraw/zinc/17/90/08/562179008.db2.gz NBQWXYJUZWOQPG-GDBMZVCRSA-N 1 2 352.442 2.238 20 30 FEEDLO Cc1nc([C@@H]2CC[N@H+]([C@H](C)C(=O)N(CCC#N)c3ccccc3)C2)n[nH]1 ZINC000521574537 562179009 /nfs/dbraw/zinc/17/90/09/562179009.db2.gz NBQWXYJUZWOQPG-GDBMZVCRSA-N 1 2 352.442 2.238 20 30 FEEDLO CC[C@@](C)(C#N)C(=O)N1CC[C@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000376189463 558138814 /nfs/dbraw/zinc/13/88/14/558138814.db2.gz VDEGRVHJEMZZLB-KXBFYZLASA-N 1 2 364.490 2.080 20 30 FEEDLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)c1ccc(C#Cc2ccccc2)cc1 ZINC000521667514 562181830 /nfs/dbraw/zinc/18/18/30/562181830.db2.gz ODUFKGZEEDEOLK-IBGZPJMESA-N 1 2 361.489 2.452 20 30 FEEDLO C=CCNC(=O)NC(=O)C[NH2+][C@@H](C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000376837373 558227902 /nfs/dbraw/zinc/22/79/02/558227902.db2.gz VPODXIOMNVRQDX-JTQLQIEISA-N 1 2 363.805 2.052 20 30 FEEDLO Cc1[nH][nH]c(=NC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)c1C#N ZINC000377241544 558296823 /nfs/dbraw/zinc/29/68/23/558296823.db2.gz JTLUFJVAPIUDPV-CQSZACIVSA-N 1 2 352.442 3.035 20 30 FEEDLO C=CC[C@H](C)NC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000377388190 558331127 /nfs/dbraw/zinc/33/11/27/558331127.db2.gz JTCMLSVEICPAIU-JKSUJKDBSA-N 1 2 366.506 2.288 20 30 FEEDLO CCc1nc(C[N@@H+]2CCCN(C(=O)C3(C#N)CCOCC3)CC2)cs1 ZINC000377632022 558381110 /nfs/dbraw/zinc/38/11/10/558381110.db2.gz ZWVHUIBZDNAAND-UHFFFAOYSA-N 1 2 362.499 2.060 20 30 FEEDLO CCc1nc(C[N@H+]2CCCN(C(=O)C3(C#N)CCOCC3)CC2)cs1 ZINC000377632022 558381113 /nfs/dbraw/zinc/38/11/13/558381113.db2.gz ZWVHUIBZDNAAND-UHFFFAOYSA-N 1 2 362.499 2.060 20 30 FEEDLO COc1ccc(C[NH+]2CCN(c3ccnc(C#N)c3)CC2)c(OC)c1OC ZINC000522965939 562206592 /nfs/dbraw/zinc/20/65/92/562206592.db2.gz OLRKUWMROYATIC-UHFFFAOYSA-N 1 2 368.437 2.301 20 30 FEEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](N3CCNC3=O)C2)c(Br)c1 ZINC000378485921 558567784 /nfs/dbraw/zinc/56/77/84/558567784.db2.gz QYYOCEMQQRATRG-CQSZACIVSA-N 1 2 363.259 2.310 20 30 FEEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](N3CCNC3=O)C2)c(Br)c1 ZINC000378485921 558567785 /nfs/dbraw/zinc/56/77/85/558567785.db2.gz QYYOCEMQQRATRG-CQSZACIVSA-N 1 2 363.259 2.310 20 30 FEEDLO C[C@@H]1[C@@H](C)[N@H+](C)CCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000408080077 558644401 /nfs/dbraw/zinc/64/44/01/558644401.db2.gz BCDAJOPZSXXLEQ-GHMZBOCLSA-N 1 2 361.389 2.290 20 30 FEEDLO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000408080077 558644403 /nfs/dbraw/zinc/64/44/03/558644403.db2.gz BCDAJOPZSXXLEQ-GHMZBOCLSA-N 1 2 361.389 2.290 20 30 FEEDLO CN(CC(=O)Nc1ccc(C#N)c(Cl)c1)C(C)(C)C[NH+]1CCOCC1 ZINC000412073653 559010262 /nfs/dbraw/zinc/01/02/62/559010262.db2.gz ADLBCFLXUALFLN-UHFFFAOYSA-N 1 2 364.877 2.193 20 30 FEEDLO CCn1c(SC[C@H](O)C[N@H+](C)CCC#N)nnc1-c1cccs1 ZINC000414092339 559149156 /nfs/dbraw/zinc/14/91/56/559149156.db2.gz FYNTTXRLKUGOMN-GFCCVEGCSA-N 1 2 351.501 2.325 20 30 FEEDLO CCn1c(SC[C@H](O)C[N@@H+](C)CCC#N)nnc1-c1cccs1 ZINC000414092339 559149157 /nfs/dbraw/zinc/14/91/57/559149157.db2.gz FYNTTXRLKUGOMN-GFCCVEGCSA-N 1 2 351.501 2.325 20 30 FEEDLO CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1S(=O)(=O)[C@H](C)C#N ZINC000416447142 559313465 /nfs/dbraw/zinc/31/34/65/559313465.db2.gz QYJLBJUWCGTFCR-LESCRADOSA-N 1 2 364.515 2.164 20 30 FEEDLO CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1S(=O)(=O)[C@H](C)C#N ZINC000416447142 559313466 /nfs/dbraw/zinc/31/34/66/559313466.db2.gz QYJLBJUWCGTFCR-LESCRADOSA-N 1 2 364.515 2.164 20 30 FEEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000419628000 559450498 /nfs/dbraw/zinc/45/04/98/559450498.db2.gz YRMGGFMJZYNCFT-BEFAXECRSA-N 1 2 356.470 2.298 20 30 FEEDLO COc1ccc(OC)c(C[NH+]2CCN(C(=O)NCC3(C#N)CCC3)CC2)c1 ZINC000419636873 559450953 /nfs/dbraw/zinc/45/09/53/559450953.db2.gz FAMXLQDJVLQNKI-UHFFFAOYSA-N 1 2 372.469 2.225 20 30 FEEDLO N#Cc1csc(CSCCC(=O)N2CCN(c3cccc[nH+]3)CC2)n1 ZINC000419639918 559451124 /nfs/dbraw/zinc/45/11/24/559451124.db2.gz HZLQXMTXAUVNFF-UHFFFAOYSA-N 1 2 373.507 2.382 20 30 FEEDLO CC(=O)N[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000420991033 559517944 /nfs/dbraw/zinc/51/79/44/559517944.db2.gz VJOFVZSHACGBJC-GXTWGEPZSA-N 1 2 374.510 2.426 20 30 FEEDLO CC(=O)N[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000420991033 559517945 /nfs/dbraw/zinc/51/79/45/559517945.db2.gz VJOFVZSHACGBJC-GXTWGEPZSA-N 1 2 374.510 2.426 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000424934204 559680383 /nfs/dbraw/zinc/68/03/83/559680383.db2.gz UBJVPRMXWFRRAZ-WMZOPIPTSA-N 1 2 368.437 2.233 20 30 FEEDLO Cc1cc(N2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)c(C#N)c[nH+]1 ZINC000425214051 559691597 /nfs/dbraw/zinc/69/15/97/559691597.db2.gz ZRXLANXDJNPZJF-UHFFFAOYSA-N 1 2 374.441 2.302 20 30 FEEDLO C[C@H]1CN(c2ccc(CNC(=O)N[C@@H]3CC[C@H](C#N)C3)c[nH+]2)C[C@H](C)O1 ZINC000425413344 559701090 /nfs/dbraw/zinc/70/10/90/559701090.db2.gz CGYMPIYFFHZWCC-QBYUYEEZSA-N 1 2 357.458 2.187 20 30 FEEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CC[C@H](c2nnc[nH]2)C1 ZINC000425556077 559709680 /nfs/dbraw/zinc/70/96/80/559709680.db2.gz ZKYIWYYOTJNSHL-KGLIPLIRSA-N 1 2 370.482 2.484 20 30 FEEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CC[C@H](c2nnc[nH]2)C1 ZINC000425556077 559709681 /nfs/dbraw/zinc/70/96/81/559709681.db2.gz ZKYIWYYOTJNSHL-KGLIPLIRSA-N 1 2 370.482 2.484 20 30 FEEDLO COC(=O)c1conc1C(C)(C)[NH2+]CCC(=O)Nc1ccccc1C#N ZINC000425586026 559710830 /nfs/dbraw/zinc/71/08/30/559710830.db2.gz LAUFGFANARBDFF-UHFFFAOYSA-N 1 2 356.382 2.186 20 30 FEEDLO N#Cc1ccc([C@H]([NH2+][C@H]2CCN(c3cccc(Cl)c3)C2=O)C(N)=O)cc1 ZINC000426175660 559731067 /nfs/dbraw/zinc/73/10/67/559731067.db2.gz IUPAPQZSOVLRHS-IRXDYDNUSA-N 1 2 368.824 2.133 20 30 FEEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)nc1 ZINC000428804230 559783667 /nfs/dbraw/zinc/78/36/67/559783667.db2.gz KPBFILKFFPQXOV-AWEZNQCLSA-N 1 2 364.365 2.391 20 30 FEEDLO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)nc1 ZINC000428804230 559783668 /nfs/dbraw/zinc/78/36/68/559783668.db2.gz KPBFILKFFPQXOV-AWEZNQCLSA-N 1 2 364.365 2.391 20 30 FEEDLO CCOC(=O)c1n[nH]c(C2CC[NH+](Cc3cccc(F)c3C#N)CC2)n1 ZINC000428949602 559786506 /nfs/dbraw/zinc/78/65/06/559786506.db2.gz YCLXNNFKIPECJS-UHFFFAOYSA-N 1 2 357.389 2.372 20 30 FEEDLO Cc1c(C#N)cccc1NC(=O)C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000431852602 559847378 /nfs/dbraw/zinc/84/73/78/559847378.db2.gz YCVKDWPOYHJNDN-UHFFFAOYSA-N 1 2 367.796 2.423 20 30 FEEDLO CN([C@@H](c1[nH]cc[nH+]1)c1ccccc1)S(=O)(=O)c1ccc(C#N)nc1 ZINC000432305737 559856009 /nfs/dbraw/zinc/85/60/09/559856009.db2.gz DDBGNCOFCSZRCQ-MRXNPFEDSA-N 1 2 353.407 2.086 20 30 FEEDLO C[C@@H]([NH2+]CC(=O)Nc1ccc(C#N)cc1)c1ncc(Br)cn1 ZINC000433010342 559869899 /nfs/dbraw/zinc/86/98/99/559869899.db2.gz XSPJFYVBTDRQCD-SNVBAGLBSA-N 1 2 360.215 2.400 20 30 FEEDLO N#Cc1ccc(NC(=O)C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)c(Cl)c1 ZINC000435244116 559918719 /nfs/dbraw/zinc/91/87/19/559918719.db2.gz BTMRBWMVKIVSPU-CQSZACIVSA-N 1 2 370.796 2.225 20 30 FEEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000440268693 560007652 /nfs/dbraw/zinc/00/76/52/560007652.db2.gz IXTPVEFYAIYVJD-KBPBESRZSA-N 1 2 360.483 2.182 20 30 FEEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000440268693 560007653 /nfs/dbraw/zinc/00/76/53/560007653.db2.gz IXTPVEFYAIYVJD-KBPBESRZSA-N 1 2 360.483 2.182 20 30 FEEDLO CC(C)(C)OC(=O)C[NH2+][C@@]1(C)CCN(C(=O)NCC#Cc2ccccc2)C1 ZINC000441166934 560025521 /nfs/dbraw/zinc/02/55/21/560025521.db2.gz KZRNRVVPGLNBSR-NRFANRHFSA-N 1 2 371.481 2.143 20 30 FEEDLO C[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2C#N)C[C@@H](CC(F)(F)F)O1 ZINC000528560372 562336335 /nfs/dbraw/zinc/33/63/35/562336335.db2.gz JNVVPYPGKPPHDA-VHDGCEQUSA-N 1 2 358.360 2.340 20 30 FEEDLO C[C@@H]1C[N@@H+](C[C@H](O)COc2ccccc2C#N)C[C@@H](CC(F)(F)F)O1 ZINC000528560372 562336336 /nfs/dbraw/zinc/33/63/36/562336336.db2.gz JNVVPYPGKPPHDA-VHDGCEQUSA-N 1 2 358.360 2.340 20 30 FEEDLO Cc1onc(CC(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)c1C#N ZINC000443565976 560087556 /nfs/dbraw/zinc/08/75/56/560087556.db2.gz KDUPWNHYJZBZHC-UHFFFAOYSA-N 1 2 358.829 2.225 20 30 FEEDLO Cc1onc(CC(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)c1C#N ZINC000443565976 560087557 /nfs/dbraw/zinc/08/75/57/560087557.db2.gz KDUPWNHYJZBZHC-UHFFFAOYSA-N 1 2 358.829 2.225 20 30 FEEDLO CCOCC[NH+]1CCN(C(=O)c2cccc(C#N)c2Br)CC1 ZINC000448952743 560208484 /nfs/dbraw/zinc/20/84/84/560208484.db2.gz STLGXQFRDKXNAF-UHFFFAOYSA-N 1 2 366.259 2.115 20 30 FEEDLO Cn1c(C#N)ccc1C(=O)N1CC[NH+](Cc2cnn(-c3ccccc3)c2)CC1 ZINC000449867310 560243307 /nfs/dbraw/zinc/24/33/07/560243307.db2.gz GWVWRZBBIUMLMJ-UHFFFAOYSA-N 1 2 374.448 2.040 20 30 FEEDLO Cc1cc(C[N@H+]2C[C@@H](F)C[C@H]2CN(C)c2ncc(C#N)cc2[N+](=O)[O-])on1 ZINC000450468881 560263277 /nfs/dbraw/zinc/26/32/77/560263277.db2.gz PJMWIMXJBRNTDA-KBPBESRZSA-N 1 2 374.376 2.207 20 30 FEEDLO Cc1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CN(C)c2ncc(C#N)cc2[N+](=O)[O-])on1 ZINC000450468881 560263278 /nfs/dbraw/zinc/26/32/78/560263278.db2.gz PJMWIMXJBRNTDA-KBPBESRZSA-N 1 2 374.376 2.207 20 30 FEEDLO N#CCc1ccc(S(=O)(=O)NCc2cn3c([nH+]2)CCCC3)c(Cl)c1 ZINC000451160289 560290566 /nfs/dbraw/zinc/29/05/66/560290566.db2.gz UQBWAKVFRWKGRL-UHFFFAOYSA-N 1 2 364.858 2.417 20 30 FEEDLO CCOC(=O)C1([S@@](C)=O)CC[NH+](CC#Cc2cccc(Cl)c2)CC1 ZINC000451205805 560292986 /nfs/dbraw/zinc/29/29/86/560292986.db2.gz BLPSQAOJOCWWIE-XMMPIXPASA-N 1 2 367.898 2.468 20 30 FEEDLO Cn1cc[nH+]c1[C@H]1CCN(S(=O)(=O)c2ccc(CC#N)cc2Cl)C1 ZINC000451338320 560301267 /nfs/dbraw/zinc/30/12/67/560301267.db2.gz IDPZSHSWVCBSJE-ZDUSSCGKSA-N 1 2 364.858 2.318 20 30 FEEDLO CN(C)C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000451989152 560342933 /nfs/dbraw/zinc/34/29/33/560342933.db2.gz HVFKURKSQUQSAZ-CQSZACIVSA-N 1 2 352.385 2.395 20 30 FEEDLO CN(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000451989152 560342934 /nfs/dbraw/zinc/34/29/34/560342934.db2.gz HVFKURKSQUQSAZ-CQSZACIVSA-N 1 2 352.385 2.395 20 30 FEEDLO CCn1cc[nH+]c1CNC(=O)[C@H]1CCCN(c2nc(C)ccc2C#N)C1 ZINC000452572746 560368119 /nfs/dbraw/zinc/36/81/19/560368119.db2.gz VAEOMXOBLDIWKT-INIZCTEOSA-N 1 2 352.442 2.011 20 30 FEEDLO CC(C)(C)c1cc(C#N)c(NC(=O)C(=O)NCCNc2cccc[nH+]2)s1 ZINC000453582317 560389511 /nfs/dbraw/zinc/38/95/11/560389511.db2.gz MCOUUVWQFQFCMS-UHFFFAOYSA-N 1 2 371.466 2.479 20 30 FEEDLO C=CCC[C@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(=O)OCC ZINC000456617813 560525941 /nfs/dbraw/zinc/52/59/41/560525941.db2.gz ZGGSSYAIDCDCJB-AWEZNQCLSA-N 1 2 372.381 2.408 20 30 FEEDLO Cc1onc(CC(=O)Nc2cc(N(C)C)c(Br)c[nH+]2)c1C#N ZINC000456658766 560527648 /nfs/dbraw/zinc/52/76/48/560527648.db2.gz IADBOCOWFTWOCC-UHFFFAOYSA-N 1 2 364.203 2.259 20 30 FEEDLO COCCN(CC#N)C(=O)C1CCN(c2ccc3cccc(O)c3[nH+]2)CC1 ZINC000457208812 560555981 /nfs/dbraw/zinc/55/59/81/560555981.db2.gz YCTMHIPPDVPSOT-UHFFFAOYSA-N 1 2 368.437 2.155 20 30 FEEDLO N#CC[C@@H]1CC[C@H](NC(=O)N(CC[NH+]2CCOCC2)Cc2ccco2)C1 ZINC000459021388 560662196 /nfs/dbraw/zinc/66/21/96/560662196.db2.gz WTUKSPZNANFMHC-IRXDYDNUSA-N 1 2 360.458 2.206 20 30 FEEDLO CO[C@@H]1C[C@H](NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C12CCC2 ZINC000459300440 560678438 /nfs/dbraw/zinc/67/84/38/560678438.db2.gz KDCSQSBDCQFHLK-RBUKOAKNSA-N 1 2 368.481 2.343 20 30 FEEDLO N#Cc1cccc([N+](=O)[O-])c1CN1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000459382237 560683543 /nfs/dbraw/zinc/68/35/43/560683543.db2.gz SNYUFODBLLGHIA-UHFFFAOYSA-N 1 2 352.394 2.490 20 30 FEEDLO COCCN(C)c1ccc(C[NH+]2CC(Oc3ccc(C#N)cc3)C2)cn1 ZINC000459616811 560698113 /nfs/dbraw/zinc/69/81/13/560698113.db2.gz QHWXHAOSWNNHJT-UHFFFAOYSA-N 1 2 352.438 2.299 20 30 FEEDLO C[C@H](C(=O)NC1(C#N)CCC1)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000469713983 560962405 /nfs/dbraw/zinc/96/24/05/560962405.db2.gz ZJSMCRVVFWUFFK-OAHLLOKOSA-N 1 2 360.889 2.409 20 30 FEEDLO COC(=O)[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)[C@@H]1C ZINC000469996899 560971164 /nfs/dbraw/zinc/97/11/64/560971164.db2.gz SOMJCUHQMKJZRD-IJLUTSLNSA-N 1 2 361.467 2.319 20 30 FEEDLO COC(=O)[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)[C@@H]1C ZINC000469996899 560971165 /nfs/dbraw/zinc/97/11/65/560971165.db2.gz SOMJCUHQMKJZRD-IJLUTSLNSA-N 1 2 361.467 2.319 20 30 FEEDLO C=C(C)C[N@@H+](CC(=O)N(CC)[C@@H]1CCS(=O)(=O)C1)Cc1ccccc1 ZINC000470907504 560993471 /nfs/dbraw/zinc/99/34/71/560993471.db2.gz SHAGUJKEZLEXPK-GOSISDBHSA-N 1 2 364.511 2.100 20 30 FEEDLO C=C(C)C[N@H+](CC(=O)N(CC)[C@@H]1CCS(=O)(=O)C1)Cc1ccccc1 ZINC000470907504 560993472 /nfs/dbraw/zinc/99/34/72/560993472.db2.gz SHAGUJKEZLEXPK-GOSISDBHSA-N 1 2 364.511 2.100 20 30 FEEDLO Cc1nn(C)c(N2CC[NH+](C/C=C/c3ccccc3[N+](=O)[O-])CC2)c1C#N ZINC000471816836 561012356 /nfs/dbraw/zinc/01/23/56/561012356.db2.gz QLHFTXFALAKALA-FNORWQNLSA-N 1 2 366.425 2.344 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)CCc1cnc2ccccc2c1 ZINC000471951867 561014938 /nfs/dbraw/zinc/01/49/38/561014938.db2.gz FSSNUBIOPCQIAG-UHFFFAOYSA-N 1 2 366.465 2.242 20 30 FEEDLO Cc1nn(C)c(N2CC[NH+]([C@H](C)c3ccccc3[N+](=O)[O-])CC2)c1C#N ZINC000472162349 561019953 /nfs/dbraw/zinc/01/99/53/561019953.db2.gz YCWSLNXRXDRETF-CQSZACIVSA-N 1 2 354.414 2.392 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)NCCNc2cccc[nH+]2)cc1C(F)(F)F ZINC000472333288 561024433 /nfs/dbraw/zinc/02/44/33/561024433.db2.gz BSBHZWKECJXQGT-UHFFFAOYSA-N 1 2 370.356 2.362 20 30 FEEDLO Cn1cc(C[NH+]2CCN(C(=O)c3ccc(C(C)(C)C#N)cc3)CC2)cn1 ZINC000475641549 561101468 /nfs/dbraw/zinc/10/14/68/561101468.db2.gz ACLHTVAEXCIGRH-UHFFFAOYSA-N 1 2 351.454 2.179 20 30 FEEDLO CC(C)CCNC(=O)C1CCN(C(=O)C[N@H+](CCC#N)CC2CC2)CC1 ZINC000476577188 561123182 /nfs/dbraw/zinc/12/31/82/561123182.db2.gz XWTMMPWCFMWVOE-UHFFFAOYSA-N 1 2 362.518 2.013 20 30 FEEDLO CC(C)CCNC(=O)C1CCN(C(=O)C[N@@H+](CCC#N)CC2CC2)CC1 ZINC000476577188 561123183 /nfs/dbraw/zinc/12/31/83/561123183.db2.gz XWTMMPWCFMWVOE-UHFFFAOYSA-N 1 2 362.518 2.013 20 30 FEEDLO N#Cc1ccccc1OC[C@H](O)CN1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000528407535 562327335 /nfs/dbraw/zinc/32/73/35/562327335.db2.gz QHRFTBKZLLVJEX-HXUWFJFHSA-N 1 2 369.440 2.255 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCN(c3ccc(Cl)cc3F)C2=O)C1=O ZINC000528498083 562332455 /nfs/dbraw/zinc/33/24/55/562332455.db2.gz UXCOUUITDBSIAU-HOTGVXAUSA-N 1 2 365.836 2.303 20 30 FEEDLO C=CCN1CC[C@H]([N@H+](C)[C@H]2CCN(c3ccc(Cl)cc3F)C2=O)C1=O ZINC000528498083 562332456 /nfs/dbraw/zinc/33/24/56/562332456.db2.gz UXCOUUITDBSIAU-HOTGVXAUSA-N 1 2 365.836 2.303 20 30 FEEDLO CC(C)(C)c1ncc2c(n1)CC[N@@H+](C[C@H](O)COc1ccccc1C#N)C2 ZINC000528596481 562337652 /nfs/dbraw/zinc/33/76/52/562337652.db2.gz AKRVUMWPLONONW-KRWDZBQOSA-N 1 2 366.465 2.444 20 30 FEEDLO CC(C)(C)c1ncc2c(n1)CC[N@H+](C[C@H](O)COc1ccccc1C#N)C2 ZINC000528596481 562337653 /nfs/dbraw/zinc/33/76/53/562337653.db2.gz AKRVUMWPLONONW-KRWDZBQOSA-N 1 2 366.465 2.444 20 30 FEEDLO CNC(=O)NC[C@H]1C[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)CCO1 ZINC000528621377 562338766 /nfs/dbraw/zinc/33/87/66/562338766.db2.gz GYYURGBCONUDHL-IBGZPJMESA-N 1 2 364.449 2.355 20 30 FEEDLO CNC(=O)NC[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)CCO1 ZINC000528621377 562338767 /nfs/dbraw/zinc/33/87/67/562338767.db2.gz GYYURGBCONUDHL-IBGZPJMESA-N 1 2 364.449 2.355 20 30 FEEDLO COCc1ccc(NC(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)cc1C#N ZINC000529207518 562364675 /nfs/dbraw/zinc/36/46/75/562364675.db2.gz UJCIIFZGKFSWRS-KDOFPFPSSA-N 1 2 358.442 2.032 20 30 FEEDLO C[C@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@@H]1CCCOC1 ZINC000540938293 562597632 /nfs/dbraw/zinc/59/76/32/562597632.db2.gz QARFKDDLQRFZHF-QFBILLFUSA-N 1 2 356.470 2.201 20 30 FEEDLO Cn1cc[nH+]c1-c1cccc(NC(=O)C(=O)N2CCC(CC#N)CC2)c1 ZINC000541039252 562601167 /nfs/dbraw/zinc/60/11/67/562601167.db2.gz NZKMXIHQVHBQME-UHFFFAOYSA-N 1 2 351.410 2.178 20 30 FEEDLO N#Cc1ccc(-c2ccccc2)nc1SC[C@H](O)C[NH+]1CCOCC1 ZINC000541238194 562606772 /nfs/dbraw/zinc/60/67/72/562606772.db2.gz QLQKLVXEHRNEIF-QGZVFWFLSA-N 1 2 355.463 2.405 20 30 FEEDLO C=CC[C@H](CC)NC(=O)NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000541977632 562624840 /nfs/dbraw/zinc/62/48/40/562624840.db2.gz VYHJCPNVRPNSNI-SFHVURJKSA-N 1 2 364.534 2.365 20 30 FEEDLO CCCc1[nH+]c2ccccc2n1CCC(=O)N1CCN(CCC#N)CC1 ZINC000602204442 567951741 /nfs/dbraw/zinc/95/17/41/567951741.db2.gz PAFQEYXIFKLHQC-UHFFFAOYSA-N 1 2 353.470 2.437 20 30 FEEDLO COc1cc2c(cc1OC)[C@H](N(CCC#N)CC[NH+]1CCOCC1)CC2 ZINC000602424738 567979042 /nfs/dbraw/zinc/97/90/42/567979042.db2.gz LIUKXFCHGQOJNV-GOSISDBHSA-N 1 2 359.470 2.239 20 30 FEEDLO COc1cc2c(cc1OC)[C@H]([N@H+](CCC#N)CCN1CCOCC1)CC2 ZINC000602424738 567979043 /nfs/dbraw/zinc/97/90/43/567979043.db2.gz LIUKXFCHGQOJNV-GOSISDBHSA-N 1 2 359.470 2.239 20 30 FEEDLO COc1cc2c(cc1OC)[C@H]([N@@H+](CCC#N)CCN1CCOCC1)CC2 ZINC000602424738 567979044 /nfs/dbraw/zinc/97/90/44/567979044.db2.gz LIUKXFCHGQOJNV-GOSISDBHSA-N 1 2 359.470 2.239 20 30 FEEDLO CC(C)OCc1ccccc1CNC(=O)C[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602867391 568008575 /nfs/dbraw/zinc/00/85/75/568008575.db2.gz YGHFUGLVNJZMJF-QZTJIDSGSA-N 1 2 372.513 2.146 20 30 FEEDLO C[N@H+](CC(=O)NC1CCN(C(=O)C2CCCCC2)CC1)[C@H]1CCC[C@@H]1C#N ZINC000602977174 568036206 /nfs/dbraw/zinc/03/62/06/568036206.db2.gz YUPCHWPFWXPTRK-MJGOQNOKSA-N 1 2 374.529 2.298 20 30 FEEDLO C[N@@H+](CC(=O)NC1CCN(C(=O)C2CCCCC2)CC1)[C@H]1CCC[C@@H]1C#N ZINC000602977174 568036208 /nfs/dbraw/zinc/03/62/08/568036208.db2.gz YUPCHWPFWXPTRK-MJGOQNOKSA-N 1 2 374.529 2.298 20 30 FEEDLO CCOc1ccc(NC(=O)CN2CC[NH+](CC3(CC#N)CC3)CC2)cc1 ZINC000602788070 568040622 /nfs/dbraw/zinc/04/06/22/568040622.db2.gz QWSDDAWVWTYHFO-UHFFFAOYSA-N 1 2 356.470 2.335 20 30 FEEDLO C=CC(C)(C)CCNC(=O)N1CCNC(=O)[C@@H]1c1c(C)[nH+]c2ccccn21 ZINC000636760106 568045175 /nfs/dbraw/zinc/04/51/75/568045175.db2.gz KWKOCFDIRDYQPM-KRWDZBQOSA-N 1 2 369.469 2.428 20 30 FEEDLO C[N@@H+]1CCc2c(cccc2S(=O)(=O)N(CCC#N)Cc2ccco2)C1 ZINC000603268689 568083931 /nfs/dbraw/zinc/08/39/31/568083931.db2.gz JWDPOBXYCPBSNI-UHFFFAOYSA-N 1 2 359.451 2.372 20 30 FEEDLO C[N@H+]1CCc2c(cccc2S(=O)(=O)N(CCC#N)Cc2ccco2)C1 ZINC000603268689 568083932 /nfs/dbraw/zinc/08/39/32/568083932.db2.gz JWDPOBXYCPBSNI-UHFFFAOYSA-N 1 2 359.451 2.372 20 30 FEEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)Cc1ccnc(-c2nn[nH]n2)c1 ZINC000823919715 607490073 /nfs/dbraw/zinc/49/00/73/607490073.db2.gz OGBGHIBEHBSNQG-UHFFFAOYSA-N 1 2 351.370 2.358 20 30 FEEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)Cc1ccnc(-c2nn[nH]n2)c1 ZINC000823919715 607490074 /nfs/dbraw/zinc/49/00/74/607490074.db2.gz OGBGHIBEHBSNQG-UHFFFAOYSA-N 1 2 351.370 2.358 20 30 FEEDLO Cc1nn(-c2ccccc2)c(C[N@H+](CCC#N)CC2CC2)c1-c1nn[nH]n1 ZINC000826332433 608316097 /nfs/dbraw/zinc/31/60/97/608316097.db2.gz UGSOFLIQFSSPEJ-UHFFFAOYSA-N 1 2 362.441 2.487 20 30 FEEDLO Cc1nn(-c2ccccc2)c(C[N@@H+](CCC#N)CC2CC2)c1-c1nn[nH]n1 ZINC000826332433 608316099 /nfs/dbraw/zinc/31/60/99/608316099.db2.gz UGSOFLIQFSSPEJ-UHFFFAOYSA-N 1 2 362.441 2.487 20 30 FEEDLO N#Cc1csc(C[N@@H+]2CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C2)c1 ZINC000826387698 608854666 /nfs/dbraw/zinc/85/46/66/608854666.db2.gz LOUHKLKXBAVZOL-INIZCTEOSA-N 1 2 352.423 2.373 20 30 FEEDLO N#Cc1csc(C[N@H+]2CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C2)c1 ZINC000826387698 608854668 /nfs/dbraw/zinc/85/46/68/608854668.db2.gz LOUHKLKXBAVZOL-INIZCTEOSA-N 1 2 352.423 2.373 20 30 FEEDLO CN(C)c1cc(Cl)cc(Cl)c1C=[NH+]N[C@@H]1CCS(=O)(=O)C1 ZINC000811627986 674617257 /nfs/dbraw/zinc/61/72/57/674617257.db2.gz KBQJOJVFKCNADX-SNVBAGLBSA-N 1 2 350.271 2.170 20 30 FEEDLO C=CCn1c(=S)n(CN2CCn3c[nH+]cc3C2)nc1-c1ccccn1 ZINC000811787482 674627549 /nfs/dbraw/zinc/62/75/49/674627549.db2.gz LRUVDCRSFSBQGF-UHFFFAOYSA-N 1 2 353.455 2.332 20 30 FEEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000563022176 674835865 /nfs/dbraw/zinc/83/58/65/674835865.db2.gz PGDMTQDXUBHQBW-WDEREUQCSA-N 1 2 356.455 2.043 20 30 FEEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000563022176 674835870 /nfs/dbraw/zinc/83/58/70/674835870.db2.gz PGDMTQDXUBHQBW-WDEREUQCSA-N 1 2 356.455 2.043 20 30 FEEDLO CC[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CCN1c1snc(Cl)c1C#N ZINC001048731890 675013810 /nfs/dbraw/zinc/01/38/10/675013810.db2.gz MWLAJBFFTKNDCT-NWDGAFQWSA-N 1 2 364.862 2.038 20 30 FEEDLO C=CCNc1ncc(C(=O)NCc2ccccc2Cn2cc[nH+]c2)s1 ZINC000564546733 675034081 /nfs/dbraw/zinc/03/40/81/675034081.db2.gz YFMAJDXAWPIELE-UHFFFAOYSA-N 1 2 353.451 2.916 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000106867882 670815283 /nfs/dbraw/zinc/81/52/83/670815283.db2.gz SWIFFXQZWQORQG-QWQRMKEZSA-N 1 2 352.479 2.028 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000106867882 670815291 /nfs/dbraw/zinc/81/52/91/670815291.db2.gz SWIFFXQZWQORQG-QWQRMKEZSA-N 1 2 352.479 2.028 20 30 FEEDLO COc1ccc(C[NH+](C)C)cc1NS(=O)(=O)c1cnc(C)c(C#N)c1 ZINC000577361332 671590587 /nfs/dbraw/zinc/59/05/87/671590587.db2.gz NSMXYHSYWBOMFS-UHFFFAOYSA-N 1 2 360.439 2.133 20 30 FEEDLO Cc1nsc(N2CC[NH+](CCOc3ccccc3C#N)CC2)c1C#N ZINC000577904755 671627772 /nfs/dbraw/zinc/62/77/72/671627772.db2.gz VAUUMNMEGHZDNF-UHFFFAOYSA-N 1 2 353.451 2.396 20 30 FEEDLO N#Cc1ccc([C@H]([NH2+]Cc2cc(Cl)c3c(c2)OCCO3)C(N)=O)cc1 ZINC000609675756 675932257 /nfs/dbraw/zinc/93/22/57/675932257.db2.gz BCFDGBCIGCNXQM-INIZCTEOSA-N 1 2 357.797 2.299 20 30 FEEDLO Cc1cccn2cc(CCNS(=O)(=O)c3ccc(C#N)cc3F)[nH+]c12 ZINC000610471260 675974116 /nfs/dbraw/zinc/97/41/16/675974116.db2.gz KHWYAPPMQHHQHI-UHFFFAOYSA-N 1 2 358.398 2.175 20 30 FEEDLO CN(Cc1ccc(Cl)s1)C(=O)CO[NH+]=C(N)Cc1cccnc1 ZINC000137645746 672142494 /nfs/dbraw/zinc/14/24/94/672142494.db2.gz SDIYQMPKCBGNKH-UHFFFAOYSA-N 1 2 352.847 2.286 20 30 FEEDLO Cc1cccc(S(=O)(=O)CCCON=C(N)C[NH+]2CCCCCC2)c1 ZINC000165935787 672318475 /nfs/dbraw/zinc/31/84/75/672318475.db2.gz GSUPRPQIWIBDRZ-UHFFFAOYSA-N 1 2 367.515 2.324 20 30 FEEDLO Cc1nc(CON=C(N)[C@H]2C[N@H+](Cc3ccccc3)CCO2)sc1C ZINC000181852198 672432113 /nfs/dbraw/zinc/43/21/13/672432113.db2.gz IORHULIDEOYRQM-MRXNPFEDSA-N 1 2 360.483 2.450 20 30 FEEDLO Cc1nc(CON=C(N)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)sc1C ZINC000181852198 672432116 /nfs/dbraw/zinc/43/21/16/672432116.db2.gz IORHULIDEOYRQM-MRXNPFEDSA-N 1 2 360.483 2.450 20 30 FEEDLO CC(C)(C[NH+]1CCOCC1)NC(=O)NCc1ccc(C#N)c(Cl)c1 ZINC000591193346 672657798 /nfs/dbraw/zinc/65/77/98/672657798.db2.gz OFLNZIJMZZDZOO-UHFFFAOYSA-N 1 2 350.850 2.122 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H]2COc3ccc(Cl)cc32)nc1 ZINC000591754687 672707898 /nfs/dbraw/zinc/70/78/98/672707898.db2.gz QCXXVDXVLKPFSF-AWEZNQCLSA-N 1 2 363.826 2.104 20 30 FEEDLO N#CC[C@]1(O)CC[N@H+](CC(=O)NCCc2cccc(Cl)c2Cl)C1 ZINC000592149448 672764367 /nfs/dbraw/zinc/76/43/67/672764367.db2.gz PIIREYQSUKNLPG-INIZCTEOSA-N 1 2 356.253 2.003 20 30 FEEDLO N#CC[C@]1(O)CC[N@@H+](CC(=O)NCCc2cccc(Cl)c2Cl)C1 ZINC000592149448 672764370 /nfs/dbraw/zinc/76/43/70/672764370.db2.gz PIIREYQSUKNLPG-INIZCTEOSA-N 1 2 356.253 2.003 20 30 FEEDLO C=CCSc1ccccc1NC(=O)C[NH+]1CCC(CO)(OC)CC1 ZINC000683678897 672865385 /nfs/dbraw/zinc/86/53/85/672865385.db2.gz GERDIWPOCWIHMD-UHFFFAOYSA-N 1 2 350.484 2.377 20 30 FEEDLO N#Cc1sccc1S(=O)(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000593525639 672933292 /nfs/dbraw/zinc/93/32/92/672933292.db2.gz UWYUGLJNPDEQIZ-LBPRGKRZSA-N 1 2 351.453 2.328 20 30 FEEDLO Cn1cc[nH+]c1[C@@H]1CCCN(S(=O)(=O)Cc2cc(C#N)ccc2F)C1 ZINC000443993408 673225256 /nfs/dbraw/zinc/22/52/56/673225256.db2.gz PVGJOGWGJKSYJJ-CQSZACIVSA-N 1 2 362.430 2.140 20 30 FEEDLO N#Cc1cc(Cl)ccc1C[NH+]1CCC(NC(=O)N2CCOCC2)CC1 ZINC000595552334 673265294 /nfs/dbraw/zinc/26/52/94/673265294.db2.gz SZIJXTMBFKROSJ-UHFFFAOYSA-N 1 2 362.861 2.218 20 30 FEEDLO Cc1c(Cl)cccc1NC(=O)CNC(=O)C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595616562 673273935 /nfs/dbraw/zinc/27/39/35/673273935.db2.gz RVGFZQOGOZQOQY-CQSZACIVSA-N 1 2 362.861 2.329 20 30 FEEDLO Cc1c(Cl)cccc1NC(=O)CNC(=O)C[N@H+]1CCC[C@H](CC#N)C1 ZINC000595616562 673273939 /nfs/dbraw/zinc/27/39/39/673273939.db2.gz RVGFZQOGOZQOQY-CQSZACIVSA-N 1 2 362.861 2.329 20 30 FEEDLO C=CC[C@H](CO)CNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000537111535 673383085 /nfs/dbraw/zinc/38/30/85/673383085.db2.gz BJARSQDWDYFZDD-AFAVFJNCSA-N 1 2 353.413 2.194 20 30 FEEDLO C=CC[C@H](CO)CNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000537111535 673383089 /nfs/dbraw/zinc/38/30/89/673383089.db2.gz BJARSQDWDYFZDD-AFAVFJNCSA-N 1 2 353.413 2.194 20 30 FEEDLO N#Cc1cccc(CNS(=O)(=O)c2ccccc2Cn2cc[nH+]c2)c1 ZINC000538679741 673451294 /nfs/dbraw/zinc/45/12/94/673451294.db2.gz JJPAISZRBDTMNW-UHFFFAOYSA-N 1 2 352.419 2.282 20 30 FEEDLO CC(=NNC(=S)NCC(F)(F)F)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000735613948 673498100 /nfs/dbraw/zinc/49/81/00/673498100.db2.gz NAORWJLZAWQBSE-AWEZNQCLSA-N 1 2 374.432 2.290 20 30 FEEDLO CC(=NNC(=S)NCC(F)(F)F)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000735613948 673498103 /nfs/dbraw/zinc/49/81/03/673498103.db2.gz NAORWJLZAWQBSE-AWEZNQCLSA-N 1 2 374.432 2.290 20 30 FEEDLO C=CCSc1ccccc1NC(=O)C[N@@H+](C)CCNC(=O)N(C)C ZINC000539912206 673513008 /nfs/dbraw/zinc/51/30/08/673513008.db2.gz NSFCGZCXFYVSGT-UHFFFAOYSA-N 1 2 350.488 2.106 20 30 FEEDLO C=CCSc1ccccc1NC(=O)C[N@H+](C)CCNC(=O)N(C)C ZINC000539912206 673513009 /nfs/dbraw/zinc/51/30/09/673513009.db2.gz NSFCGZCXFYVSGT-UHFFFAOYSA-N 1 2 350.488 2.106 20 30 FEEDLO CCOC(=O)c1sc([C@H](C)[NH2+]CC(=O)N[C@](C)(C#N)C(C)C)nc1C ZINC000542616290 673593354 /nfs/dbraw/zinc/59/33/54/673593354.db2.gz VGUCHHKVDGKANK-YVEFUNNKSA-N 1 2 366.487 2.333 20 30 FEEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCc2cc(C(F)(F)F)ccc2C1 ZINC000599635742 673700379 /nfs/dbraw/zinc/70/03/79/673700379.db2.gz VAPBVSDBKPQOTK-NSHDSACASA-N 1 2 355.360 2.464 20 30 FEEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCc2cc(C(F)(F)F)ccc2C1 ZINC000599635742 673700381 /nfs/dbraw/zinc/70/03/81/673700381.db2.gz VAPBVSDBKPQOTK-NSHDSACASA-N 1 2 355.360 2.464 20 30 FEEDLO Cc1cc(F)cc(C#N)c1S(=O)(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000601302798 673840114 /nfs/dbraw/zinc/84/01/14/673840114.db2.gz WCSWWDWVAPBDPJ-UHFFFAOYSA-N 1 2 362.430 2.060 20 30 FEEDLO C[C@H](C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1)n1cnc(C#N)n1 ZINC000547388398 673847853 /nfs/dbraw/zinc/84/78/53/673847853.db2.gz DEUGDQIVSWBLJS-NWDGAFQWSA-N 1 2 359.459 2.038 20 30 FEEDLO C[C@H](C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1)n1cnc(C#N)n1 ZINC000547388398 673847859 /nfs/dbraw/zinc/84/78/59/673847859.db2.gz DEUGDQIVSWBLJS-NWDGAFQWSA-N 1 2 359.459 2.038 20 30 FEEDLO CCN(CC)S(=O)(=O)c1ccc(N=NCc2c[nH+]cn2C(C)C)nc1 ZINC000819804941 675315976 /nfs/dbraw/zinc/31/59/76/675315976.db2.gz LXJYPRMGBOMPRZ-UHFFFAOYSA-N 1 2 364.475 2.336 20 30 FEEDLO CC#CCS(=O)(=O)c1cccc(C(=O)NCc2cc(C)[nH+]c(C)c2)c1 ZINC000823057410 675526345 /nfs/dbraw/zinc/52/63/45/675526345.db2.gz QYZOIIMRQWYCBA-UHFFFAOYSA-N 1 2 356.447 2.425 20 30 FEEDLO C=CCC1(C(=O)NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)CCCCC1 ZINC000628576682 676808424 /nfs/dbraw/zinc/80/84/24/676808424.db2.gz MVOLWGYVDVAFKJ-FQEVSTJZSA-N 1 2 350.503 2.245 20 30 FEEDLO C=CCC1(C(=O)NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)CCCCC1 ZINC000628576682 676808427 /nfs/dbraw/zinc/80/84/27/676808427.db2.gz MVOLWGYVDVAFKJ-FQEVSTJZSA-N 1 2 350.503 2.245 20 30 FEEDLO CC#CC[NH2+]Cc1cn([C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2)nn1 ZINC000640916724 677191652 /nfs/dbraw/zinc/19/16/52/677191652.db2.gz CIZILDBFWQEQTK-KBPBESRZSA-N 1 2 359.861 2.483 20 30 FEEDLO CC#CC[NH2+]Cc1cn(CC(=O)N(C)[C@@H](C)c2ccc(Cl)cc2)nn1 ZINC000640971464 677192586 /nfs/dbraw/zinc/19/25/86/677192586.db2.gz LYMSNXBCFOGYSA-AWEZNQCLSA-N 1 2 359.861 2.264 20 30 FEEDLO C=CC[N@H+](CC[C@@H]1Sc2ccccc2NC1=O)[C@H]1CCS(=O)(=O)C1 ZINC000660069175 678272563 /nfs/dbraw/zinc/27/25/63/678272563.db2.gz DLQORAONSUSLRG-BBRMVZONSA-N 1 2 366.508 2.165 20 30 FEEDLO C=CC[N@@H+](CC[C@@H]1Sc2ccccc2NC1=O)[C@H]1CCS(=O)(=O)C1 ZINC000660069175 678272566 /nfs/dbraw/zinc/27/25/66/678272566.db2.gz DLQORAONSUSLRG-BBRMVZONSA-N 1 2 366.508 2.165 20 30 FEEDLO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000660448182 678341093 /nfs/dbraw/zinc/34/10/93/678341093.db2.gz QNRKNXXWFKKOCA-SOLBZPMBSA-N 1 2 351.516 2.087 20 30 FEEDLO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@](O)(C(F)F)C2)cc1C ZINC000831170429 679939794 /nfs/dbraw/zinc/93/97/94/679939794.db2.gz SGIKPWRJNSDHBJ-SFHVURJKSA-N 1 2 351.397 2.252 20 30 FEEDLO Cc1ccc(N(CCC#N)C(=O)C[N@H+]2CC[C@@](O)(C(F)F)C2)cc1C ZINC000831170429 679939798 /nfs/dbraw/zinc/93/97/98/679939798.db2.gz SGIKPWRJNSDHBJ-SFHVURJKSA-N 1 2 351.397 2.252 20 30 FEEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@]2(C)C1 ZINC000992955743 680138547 /nfs/dbraw/zinc/13/85/47/680138547.db2.gz CXIMYSOMXABTBZ-ACJLOTCBSA-N 1 2 364.877 2.038 20 30 FEEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@]2(C)C1 ZINC000993315053 680159927 /nfs/dbraw/zinc/15/99/27/680159927.db2.gz CXIMYSOMXABTBZ-SCLBCKFNSA-N 1 2 364.877 2.038 20 30 FEEDLO N#Cc1ccc(N2C[C@H](C(=O)OCCn3cc[nH+]c3)CC2=O)cc1Cl ZINC000835350266 680322253 /nfs/dbraw/zinc/32/22/53/680322253.db2.gz ORTHSZOTYABKHC-CYBMUJFWSA-N 1 2 358.785 2.004 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1Cc1csnc1OC ZINC001028194941 680371897 /nfs/dbraw/zinc/37/18/97/680371897.db2.gz GXKFJCMMDRNHNX-JYJNAYRXSA-N 1 2 365.499 2.214 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1csnc1OC ZINC001028194941 680371901 /nfs/dbraw/zinc/37/19/01/680371901.db2.gz GXKFJCMMDRNHNX-JYJNAYRXSA-N 1 2 365.499 2.214 20 30 FEEDLO O=C(NC1CN(CC#Cc2cccc(Cl)c2)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001030473398 680399438 /nfs/dbraw/zinc/39/94/38/680399438.db2.gz SEVUPXNFYFXUNO-IAGOWNOFSA-N 1 2 354.841 2.019 20 30 FEEDLO O=C(NC1CN(CC#Cc2cccc(Cl)c2)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001030473398 680399440 /nfs/dbraw/zinc/39/94/40/680399440.db2.gz SEVUPXNFYFXUNO-IAGOWNOFSA-N 1 2 354.841 2.019 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2nnsc2Cl)C1 ZINC000999537926 680405848 /nfs/dbraw/zinc/40/58/48/680405848.db2.gz DWRBNIVIRRYBSA-BUCSNLDVSA-N 1 2 370.906 2.252 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1C[NH+](Cc2cccc(F)c2F)C1 ZINC001032046920 680412041 /nfs/dbraw/zinc/41/20/41/680412041.db2.gz IAUHDEYDKXUOLK-YJBOKZPZSA-N 1 2 350.409 2.494 20 30 FEEDLO C=C(Br)C[NH+]1CCC(NC(=O)[C@H]2CCO[C@H]2C(=C)C)CC1 ZINC001003787542 680542093 /nfs/dbraw/zinc/54/20/93/680542093.db2.gz GWGWHIWOLITOQT-GJZGRUSLSA-N 1 2 357.292 2.457 20 30 FEEDLO NC(=[NH+]OCc1cn(CC2CC2)nn1)c1ccc(Br)cc1 ZINC000842040593 680923148 /nfs/dbraw/zinc/92/31/48/680923148.db2.gz WBFKSZPBISQTHY-UHFFFAOYSA-N 1 2 350.220 2.288 20 30 FEEDLO C#CC[NH+]1CCN(c2nnc(Cc3nc(C)cs3)n2CC(C)C)CC1 ZINC000843025708 680983416 /nfs/dbraw/zinc/98/34/16/680983416.db2.gz AUNFNFKKPDHWIV-UHFFFAOYSA-N 1 2 358.515 2.045 20 30 FEEDLO CSCCNC(=S)N[NH+]=Cc1ccccc1N1CCO[C@@H](C)C1 ZINC000769604420 680988740 /nfs/dbraw/zinc/98/87/40/680988740.db2.gz JRBSTWUZDXWVGZ-ZDUSSCGKSA-N 1 2 352.529 2.073 20 30 FEEDLO C#C[C@@H](C)[N@H+](C)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F ZINC000769978043 681002295 /nfs/dbraw/zinc/00/22/95/681002295.db2.gz OBCCLSMVFJEAJR-RISCZKNCSA-N 1 2 353.344 2.246 20 30 FEEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F ZINC000769978043 681002296 /nfs/dbraw/zinc/00/22/96/681002296.db2.gz OBCCLSMVFJEAJR-RISCZKNCSA-N 1 2 353.344 2.246 20 30 FEEDLO O=S(=O)(NC1CC1)c1ccc(NN=Cc2cccc3[nH+]ccn32)cc1 ZINC000771101127 681042296 /nfs/dbraw/zinc/04/22/96/681042296.db2.gz QLZLHZGQMSTHSS-UHFFFAOYSA-N 1 2 355.423 2.221 20 30 FEEDLO Cc1nsc(N[C@@H]2CN(C(=O)C(C)C)C[C@H]2c2c[nH+]cn2C)c1C#N ZINC001052723280 681084524 /nfs/dbraw/zinc/08/45/24/681084524.db2.gz QCTNLDUTJYENGP-ZIAGYGMSSA-N 1 2 358.471 2.119 20 30 FEEDLO C[N@H+](CC(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1)[C@@H]1CCSC1 ZINC000773977216 681162926 /nfs/dbraw/zinc/16/29/26/681162926.db2.gz UYYSHTYZPDMFNP-ZIAGYGMSSA-N 1 2 351.859 2.425 20 30 FEEDLO C[N@@H+](CC(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1)[C@@H]1CCSC1 ZINC000773977216 681162928 /nfs/dbraw/zinc/16/29/28/681162928.db2.gz UYYSHTYZPDMFNP-ZIAGYGMSSA-N 1 2 351.859 2.425 20 30 FEEDLO C[N@@H+](Cc1cc(C#N)cs1)C[C@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000933778575 681467377 /nfs/dbraw/zinc/46/73/77/681467377.db2.gz RJKPBCDNNZGWTG-INIZCTEOSA-N 1 2 350.465 2.189 20 30 FEEDLO C[N@H+](Cc1cc(C#N)cs1)C[C@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000933778575 681467379 /nfs/dbraw/zinc/46/73/79/681467379.db2.gz RJKPBCDNNZGWTG-INIZCTEOSA-N 1 2 350.465 2.189 20 30 FEEDLO CN(C)[S@](C)(=O)=NCC1CC[NH+](Cc2ccc(F)cc2C#N)CC1 ZINC000934759250 681625020 /nfs/dbraw/zinc/62/50/20/681625020.db2.gz JHSRCESIXGGDEH-XMMPIXPASA-N 1 2 352.479 2.484 20 30 FEEDLO COc1c(C)c[nH+]c(CNS(=O)(=O)Cc2csc(C#N)c2)c1C ZINC000914020137 685492207 /nfs/dbraw/zinc/49/22/07/685492207.db2.gz QAFMUUKWAMJWBY-UHFFFAOYSA-N 1 2 351.453 2.260 20 30 FEEDLO C=CC[N@H+](CC(=O)N([C@H]1CCS(=O)(=O)C1)C1CCCCC1)C(C)C ZINC000917071362 685529404 /nfs/dbraw/zinc/52/94/04/685529404.db2.gz RSMSKYNJLILMIQ-KRWDZBQOSA-N 1 2 356.532 2.231 20 30 FEEDLO C=CC[N@@H+](CC(=O)N([C@H]1CCS(=O)(=O)C1)C1CCCCC1)C(C)C ZINC000917071362 685529405 /nfs/dbraw/zinc/52/94/05/685529405.db2.gz RSMSKYNJLILMIQ-KRWDZBQOSA-N 1 2 356.532 2.231 20 30 FEEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC([C@@H]2CCCN(C(=O)C(F)(F)F)C2)CC1 ZINC000852600258 682306301 /nfs/dbraw/zinc/30/63/01/682306301.db2.gz GCJCADWNGJYIOA-KGLIPLIRSA-N 1 2 362.392 2.227 20 30 FEEDLO COc1cccc(OCC2N=NC(=S)N2N=Cc2c[nH+]c(C)n2C)c1 ZINC000853282366 682401933 /nfs/dbraw/zinc/40/19/33/682401933.db2.gz AYLSCAFQUIUIKC-UHFFFAOYSA-N 1 2 358.427 2.079 20 30 FEEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3ccc(Cl)cc3)C2)C1 ZINC000972590356 682424720 /nfs/dbraw/zinc/42/47/20/682424720.db2.gz QDVFSLDMWGLHLP-NLWGTHIKSA-N 1 2 358.869 2.380 20 30 FEEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3ccc(Cl)cc3)C2)C1 ZINC000972590356 682424725 /nfs/dbraw/zinc/42/47/25/682424725.db2.gz QDVFSLDMWGLHLP-NLWGTHIKSA-N 1 2 358.869 2.380 20 30 FEEDLO COCCN(C)c1ccc(C=[NH+]Nc2cccc(S(C)(=O)=O)c2)cn1 ZINC000790170122 682659496 /nfs/dbraw/zinc/65/94/96/682659496.db2.gz HLWKYYUPCRNUHS-UHFFFAOYSA-N 1 2 362.455 2.014 20 30 FEEDLO C#CC[C@H](COC)NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000858332746 682957963 /nfs/dbraw/zinc/95/79/63/682957963.db2.gz NHIROMDKXBSXPG-KBRIMQKVSA-N 1 2 351.397 2.048 20 30 FEEDLO C#CC[C@H](COC)NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000858332746 682957965 /nfs/dbraw/zinc/95/79/65/682957965.db2.gz NHIROMDKXBSXPG-KBRIMQKVSA-N 1 2 351.397 2.048 20 30 FEEDLO O=C1C=C([NH2+]Nc2ccc(S(=O)(=O)C(F)(F)F)cc2)[C@H]2CCCN12 ZINC000799475457 683457929 /nfs/dbraw/zinc/45/79/29/683457929.db2.gz CCPFCODXCKPFBT-GFCCVEGCSA-N 1 2 361.345 2.143 20 30 FEEDLO C#CC[C@H](CO)NC(=O)N[C@H]1CC[N@@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000921796547 683577460 /nfs/dbraw/zinc/57/74/60/683577460.db2.gz JUAOKLVQTBOCHV-XOKHGSTOSA-N 1 2 367.852 2.298 20 30 FEEDLO C#CC[C@H](CO)NC(=O)N[C@H]1CC[N@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000921796547 683577462 /nfs/dbraw/zinc/57/74/62/683577462.db2.gz JUAOKLVQTBOCHV-XOKHGSTOSA-N 1 2 367.852 2.298 20 30 FEEDLO C#CC[C@@H]1CC[N@@H+](Cc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2Cl)C1 ZINC000862443276 683592143 /nfs/dbraw/zinc/59/21/43/683592143.db2.gz NLEVKHPPCSNWLN-ZIAGYGMSSA-N 1 2 355.891 2.050 20 30 FEEDLO C#CC[C@@H]1CC[N@H+](Cc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2Cl)C1 ZINC000862443276 683592147 /nfs/dbraw/zinc/59/21/47/683592147.db2.gz NLEVKHPPCSNWLN-ZIAGYGMSSA-N 1 2 355.891 2.050 20 30 FEEDLO COC(=O)c1ccc(C[N@@H+]2CC[C@@](O)(CC#N)C2)cc1Br ZINC000877606293 686421149 /nfs/dbraw/zinc/42/11/49/686421149.db2.gz WFIKKVCGPRQULW-HNNXBMFYSA-N 1 2 353.216 2.086 20 30 FEEDLO COC(=O)c1ccc(C[N@H+]2CC[C@@](O)(CC#N)C2)cc1Br ZINC000877606293 686421153 /nfs/dbraw/zinc/42/11/53/686421153.db2.gz WFIKKVCGPRQULW-HNNXBMFYSA-N 1 2 353.216 2.086 20 30 FEEDLO C[C@@H]1C[N@@H+](C[C@H](O)c2ccccc2Br)C[C@H](C)N1CC#N ZINC000878772109 686655232 /nfs/dbraw/zinc/65/52/32/686655232.db2.gz FOWJAOKEXNVAQX-ZENOOKHLSA-N 1 2 352.276 2.401 20 30 FEEDLO C[C@@H]1C[N@H+](C[C@H](O)c2ccccc2Br)C[C@H](C)N1CC#N ZINC000878772109 686655236 /nfs/dbraw/zinc/65/52/36/686655236.db2.gz FOWJAOKEXNVAQX-ZENOOKHLSA-N 1 2 352.276 2.401 20 30 FEEDLO C[C@H]1C[N@H+](CC(=O)NCc2cccc(C#N)c2)CC[C@H](C(F)(F)F)O1 ZINC000880057918 686989381 /nfs/dbraw/zinc/98/93/81/686989381.db2.gz AHFAHUUQUNWVHB-SWLSCSKDSA-N 1 2 355.360 2.216 20 30 FEEDLO C[C@H]1C[N@@H+](CC(=O)NCc2cccc(C#N)c2)CC[C@H](C(F)(F)F)O1 ZINC000880057918 686989383 /nfs/dbraw/zinc/98/93/83/686989383.db2.gz AHFAHUUQUNWVHB-SWLSCSKDSA-N 1 2 355.360 2.216 20 30 FEEDLO COCC[N@H+]1[C@H](C)CN(c2ncc(C#N)cc2Br)C[C@@H]1C ZINC000882515688 687383346 /nfs/dbraw/zinc/38/33/46/687383346.db2.gz JJOASDVCNYNCLL-TXEJJXNPSA-N 1 2 353.264 2.261 20 30 FEEDLO COCC[N@@H+]1[C@H](C)CN(c2ncc(C#N)cc2Br)C[C@@H]1C ZINC000882515688 687383352 /nfs/dbraw/zinc/38/33/52/687383352.db2.gz JJOASDVCNYNCLL-TXEJJXNPSA-N 1 2 353.264 2.261 20 30 FEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCc1ccc(-c2csc(C)n2)cc1 ZINC000884109299 687791004 /nfs/dbraw/zinc/79/10/04/687791004.db2.gz AVCMNYCKJDDRBM-HNNXBMFYSA-N 1 2 359.451 2.181 20 30 FEEDLO CN(C)[C@H](C(=O)Nc1ccc(Br)c(C#N)c1)c1c[nH+]cn1C ZINC000887994567 688532293 /nfs/dbraw/zinc/53/22/93/688532293.db2.gz BNKSUKMTGLRNSS-AWEZNQCLSA-N 1 2 362.231 2.296 20 30 FEEDLO CSc1ccc(CNC(=O)NCC[N@@H+]2C[C@H](C)OC[C@@H]2C)cc1C#N ZINC000890447662 688921336 /nfs/dbraw/zinc/92/13/36/688921336.db2.gz KCGXSKMEABEZPY-KBPBESRZSA-N 1 2 362.499 2.189 20 30 FEEDLO CSc1ccc(CNC(=O)NCC[N@H+]2C[C@H](C)OC[C@@H]2C)cc1C#N ZINC000890447662 688921339 /nfs/dbraw/zinc/92/13/39/688921339.db2.gz KCGXSKMEABEZPY-KBPBESRZSA-N 1 2 362.499 2.189 20 30 FEEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(SC(F)F)cc2)C1 ZINC000891608427 689083057 /nfs/dbraw/zinc/08/30/57/689083057.db2.gz WGCVWYVXSBLTNP-ZDUSSCGKSA-N 1 2 367.421 2.154 20 30 FEEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(SC(F)F)cc2)C1 ZINC000891608427 689083061 /nfs/dbraw/zinc/08/30/61/689083061.db2.gz WGCVWYVXSBLTNP-ZDUSSCGKSA-N 1 2 367.421 2.154 20 30 FEEDLO C[C@H]1CC(N[NH+]=Cc2c(Cl)nc(N)nc2N2CCCC2)C[C@H](C)O1 ZINC000901310172 690634694 /nfs/dbraw/zinc/63/46/94/690634694.db2.gz HYQUMYWXJUGPIA-QWRGUYRKSA-N 1 2 352.870 2.192 20 30 FEEDLO NC(=O)[C@@H]([NH2+]CC#C[C@H]1CCCCO1)c1cccc(Br)c1 ZINC000901704377 690681984 /nfs/dbraw/zinc/68/19/84/690681984.db2.gz SMZVGMQAPAXNQJ-CABCVRRESA-N 1 2 351.244 2.138 20 30 FEEDLO CCS(=O)(=O)NC1CC[NH+](Cc2cc(Cl)ccc2OCC#N)CC1 ZINC000903006020 690829864 /nfs/dbraw/zinc/82/98/64/690829864.db2.gz HEIIQWLKVYSPNV-UHFFFAOYSA-N 1 2 371.890 2.146 20 30 FEEDLO C[C@@H]1CN(S(=O)(=O)c2ccsc2C#N)c2cc(F)ccc2C[NH2+]1 ZINC000903504116 690903163 /nfs/dbraw/zinc/90/31/63/690903163.db2.gz RINIJVZLGIOOJE-SNVBAGLBSA-N 1 2 351.428 2.446 20 30 FEEDLO CN(Cc1cccc(C#N)c1)C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000027370665 539806516 /nfs/dbraw/zinc/80/65/16/539806516.db2.gz HDCQXEPOOPHRCX-UHFFFAOYSA-N 1 2 365.437 2.131 20 30 FEEDLO N#Cc1ccccc1OCC(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000029086099 539842282 /nfs/dbraw/zinc/84/22/82/539842282.db2.gz HRMFPCXRVFRZFS-LJQANCHMSA-N 1 2 365.433 2.127 20 30 FEEDLO C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000029445143 539853465 /nfs/dbraw/zinc/85/34/65/539853465.db2.gz DXSIIWKKORPGQA-NUJGCVRESA-N 1 2 355.486 2.159 20 30 FEEDLO CC1CCC(N(C)C(=O)C[NH+]2CCN(c3cc(C#N)ccn3)CC2)CC1 ZINC000029446013 539853563 /nfs/dbraw/zinc/85/35/63/539853563.db2.gz BDRHUPYAZOCENU-UHFFFAOYSA-N 1 2 355.486 2.112 20 30 FEEDLO CCN(Cc1ccccc1)C(=O)C[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000029447037 539853649 /nfs/dbraw/zinc/85/36/49/539853649.db2.gz SQSLIYWAIYDHRA-UHFFFAOYSA-N 1 2 363.465 2.124 20 30 FEEDLO CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000029445021 539853667 /nfs/dbraw/zinc/85/36/67/539853667.db2.gz XXNVZGDMHOOGQJ-FUHWJXTLSA-N 1 2 355.486 2.255 20 30 FEEDLO C[C@H](C(=O)Nc1ccc(F)c(F)c1)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000029447151 539853738 /nfs/dbraw/zinc/85/37/38/539853738.db2.gz IQAVERCXTUJTPV-CYBMUJFWSA-N 1 2 371.391 2.381 20 30 FEEDLO COc1ccc(OC)c(C[NH+]2CCN(C(=O)C3(C#N)CCCC3)CC2)c1 ZINC000029985724 539871500 /nfs/dbraw/zinc/87/15/00/539871500.db2.gz KZWJVJBPFWPNEV-UHFFFAOYSA-N 1 2 357.454 2.432 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000029857420 539866966 /nfs/dbraw/zinc/86/69/66/539866966.db2.gz DYTHAGWFMWMUTP-FOIQADDNSA-N 1 2 371.460 2.262 20 30 FEEDLO Cc1[nH+]c(C(C)N=Nc2ccc(S(=O)(=O)NC(C)(C)C)cn2)cn1C ZINC000800810533 674077800 /nfs/dbraw/zinc/07/78/00/674077800.db2.gz TUNPRVUBMNKIFF-UHFFFAOYSA-N 1 2 364.475 2.036 20 30 FEEDLO C=CCOc1ccccc1C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000031936392 539923243 /nfs/dbraw/zinc/92/32/43/539923243.db2.gz USRCDFGCEIDPEC-LJQANCHMSA-N 1 2 362.495 2.189 20 30 FEEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)Cc1ccccc1Br ZINC000043631837 540105780 /nfs/dbraw/zinc/10/57/80/540105780.db2.gz QIWWZWLKLHRGOK-NSHDSACASA-N 1 2 354.248 2.281 20 30 FEEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1Br ZINC000043631837 540105782 /nfs/dbraw/zinc/10/57/82/540105782.db2.gz QIWWZWLKLHRGOK-NSHDSACASA-N 1 2 354.248 2.281 20 30 FEEDLO COc1cc(OC)cc([C@H](NC(=O)N(C)C[C@H](C)C#N)c2[nH+]ccn2C)c1 ZINC000045310878 540209771 /nfs/dbraw/zinc/20/97/71/540209771.db2.gz VOVGYPOJFCPYFQ-DYVFJYSZSA-N 1 2 371.441 2.328 20 30 FEEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1Cc2c(OC)ccc(OC)c2[C@H](O)C1 ZINC000046515096 540260525 /nfs/dbraw/zinc/26/05/25/540260525.db2.gz WYBXSIRRLYQXSU-GDBMZVCRSA-N 1 2 362.470 2.366 20 30 FEEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1Cc2c(OC)ccc(OC)c2[C@H](O)C1 ZINC000046515096 540260528 /nfs/dbraw/zinc/26/05/28/540260528.db2.gz WYBXSIRRLYQXSU-GDBMZVCRSA-N 1 2 362.470 2.366 20 30 FEEDLO C[C@H]1CN(c2ccc(CNC(=O)NCc3cccc(C#N)c3)c[nH+]2)CCO1 ZINC000048876927 540376088 /nfs/dbraw/zinc/37/60/88/540376088.db2.gz JQBJCEQSFDGUTB-HNNXBMFYSA-N 1 2 365.437 2.178 20 30 FEEDLO C[C@H](C(=O)N1[C@@H](C)CCC[C@@H]1C)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000052442375 540466905 /nfs/dbraw/zinc/46/69/05/540466905.db2.gz ITGBPIFTHMGORC-YESZJQIVSA-N 1 2 355.486 2.253 20 30 FEEDLO COc1ccc(C(=O)C2CC[NH+](CC(=O)N[C@@](C)(C#N)C3CC3)CC2)cc1 ZINC000054886744 540615469 /nfs/dbraw/zinc/61/54/69/540615469.db2.gz HRNSZCGWPSJPPP-NRFANRHFSA-N 1 2 369.465 2.398 20 30 FEEDLO N#Cc1cccc(NC(=O)C[NH+]2CCC(NC(=O)c3ccsc3)CC2)c1 ZINC000064991993 541222766 /nfs/dbraw/zinc/22/27/66/541222766.db2.gz SORAJSZHAFMQHA-UHFFFAOYSA-N 1 2 368.462 2.453 20 30 FEEDLO CC(=O)NC[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2SCC#N)C1 ZINC000067415434 541461035 /nfs/dbraw/zinc/46/10/35/541461035.db2.gz FURVGYOGIFSYHT-OAHLLOKOSA-N 1 2 360.483 2.089 20 30 FEEDLO CC(=O)NC[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2SCC#N)C1 ZINC000067415434 541461041 /nfs/dbraw/zinc/46/10/41/541461041.db2.gz FURVGYOGIFSYHT-OAHLLOKOSA-N 1 2 360.483 2.089 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN([C@@H]3CCN(c4ccccc4)C3=O)CC2)cc1 ZINC000068784691 541628334 /nfs/dbraw/zinc/62/83/34/541628334.db2.gz OINCHUHOFAHVHE-OAQYLSRUSA-N 1 2 360.461 2.481 20 30 FEEDLO N#Cc1cccnc1N1CC[NH+](Cc2cc(F)cc3c2OCOC3)CC1 ZINC000073108810 541919611 /nfs/dbraw/zinc/91/96/11/541919611.db2.gz SOIUHBIMYLATAY-UHFFFAOYSA-N 1 2 354.385 2.281 20 30 FEEDLO N#Cc1cc([N+](=O)[O-])cnc1NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000073771790 541997610 /nfs/dbraw/zinc/99/76/10/541997610.db2.gz RBKAODHHWWXVAF-KRWDZBQOSA-N 1 2 353.382 2.347 20 30 FEEDLO Cc1noc(C)c1C[NH+]1CCN(C(=O)CCc2ccc(C#N)cc2)CC1 ZINC000076361512 542267039 /nfs/dbraw/zinc/26/70/39/542267039.db2.gz KLOPIGDVYAOFNA-UHFFFAOYSA-N 1 2 352.438 2.440 20 30 FEEDLO CCC(=O)N1CCC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)CC1 ZINC000077390061 542377309 /nfs/dbraw/zinc/37/73/09/542377309.db2.gz XYYVUVALRQPCJG-INIZCTEOSA-N 1 2 374.460 2.405 20 30 FEEDLO CCC(=O)N1CCC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)CC1 ZINC000077390061 542377311 /nfs/dbraw/zinc/37/73/11/542377311.db2.gz XYYVUVALRQPCJG-INIZCTEOSA-N 1 2 374.460 2.405 20 30 FEEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000077466342 542385147 /nfs/dbraw/zinc/38/51/47/542385147.db2.gz HIRFMYXFJALHGT-GJZGRUSLSA-N 1 2 361.515 2.306 20 30 FEEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000077466342 542385150 /nfs/dbraw/zinc/38/51/50/542385150.db2.gz HIRFMYXFJALHGT-GJZGRUSLSA-N 1 2 361.515 2.306 20 30 FEEDLO C[C@@H](C#N)OCC[NH+]1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000801916900 674154797 /nfs/dbraw/zinc/15/47/97/674154797.db2.gz IXCZKFGHOOANDM-ZDUSSCGKSA-N 1 2 366.259 2.136 20 30 FEEDLO CC#CCSc1nc2ccsc2c(=O)n1CCC[NH+]1CCOCC1 ZINC000078962418 542490606 /nfs/dbraw/zinc/49/06/06/542490606.db2.gz OAKCOFTUHXLGOH-UHFFFAOYSA-N 1 2 363.508 2.296 20 30 FEEDLO N#CCCN(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)Cc1ccco1 ZINC000081517927 542662542 /nfs/dbraw/zinc/66/25/42/542662542.db2.gz APNNUZNFGGMGTI-UHFFFAOYSA-N 1 2 367.453 2.129 20 30 FEEDLO Cc1noc(C2CC[NH+]([C@H]3CCN(c4sccc4C#N)C3=O)CC2)n1 ZINC000083185306 542693889 /nfs/dbraw/zinc/69/38/89/542693889.db2.gz XRHKYEAETKCZOE-AWEZNQCLSA-N 1 2 357.439 2.296 20 30 FEEDLO COc1ccc(N2CC[NH+](CC(=O)N[C@](C)(C#N)C(C)C)CC2)cc1F ZINC000084866008 542721595 /nfs/dbraw/zinc/72/15/95/542721595.db2.gz GEOOXUXZKOCAMN-LJQANCHMSA-N 1 2 362.449 2.011 20 30 FEEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCCC2(C1)OCCO2 ZINC000090563882 542786793 /nfs/dbraw/zinc/78/67/93/542786793.db2.gz CTTBKIXUMNUTJX-HNNXBMFYSA-N 1 2 361.417 2.300 20 30 FEEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCCC2(C1)OCCO2 ZINC000090563882 542786795 /nfs/dbraw/zinc/78/67/95/542786795.db2.gz CTTBKIXUMNUTJX-HNNXBMFYSA-N 1 2 361.417 2.300 20 30 FEEDLO C[C@@H](CC#N)N(C)C(=O)c1ccc(S(=O)(=O)Nc2cc[nH+]cc2)cc1 ZINC000103442147 543107279 /nfs/dbraw/zinc/10/72/79/543107279.db2.gz DLEWGBLGHHJVQO-ZDUSSCGKSA-N 1 2 358.423 2.257 20 30 FEEDLO N#Cc1cccc(NC(=O)C[NH+]2CCC(NC(=O)c3cccs3)CC2)c1 ZINC000108981293 543309658 /nfs/dbraw/zinc/30/96/58/543309658.db2.gz RULLDSVCUSGNNW-UHFFFAOYSA-N 1 2 368.462 2.453 20 30 FEEDLO Oc1ccccc1/C=N/[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000112497339 543449257 /nfs/dbraw/zinc/44/92/57/543449257.db2.gz MAOTWCMOTWNDBB-VYVDHXHBSA-N 1 2 367.453 2.107 20 30 FEEDLO Oc1ccccc1/C=N/[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000112497339 543449259 /nfs/dbraw/zinc/44/92/59/543449259.db2.gz MAOTWCMOTWNDBB-VYVDHXHBSA-N 1 2 367.453 2.107 20 30 FEEDLO Cc1nc(CC(N)=[NH+]O[C@H](C)C(=O)NCc2ccccc2F)cs1 ZINC000114630154 543526830 /nfs/dbraw/zinc/52/68/30/543526830.db2.gz QCLANLHEAKFJQL-SNVBAGLBSA-N 1 2 350.419 2.127 20 30 FEEDLO N#Cc1cnn(-c2ccc(C(=O)N3CC[C@@H](Oc4cc[nH+]cc4)C3)cc2)c1N ZINC000121189152 543691067 /nfs/dbraw/zinc/69/10/67/543691067.db2.gz OFXQYMYIUBHSSU-GOSISDBHSA-N 1 2 374.404 2.015 20 30 FEEDLO C[C@H](CC#N)NC(=O)C(=O)Nc1cccc(C[N@H+](C)Cc2cscn2)c1 ZINC000123247529 543750447 /nfs/dbraw/zinc/75/04/47/543750447.db2.gz VKOQWSJCCLAKFI-CYBMUJFWSA-N 1 2 371.466 2.132 20 30 FEEDLO C[C@H](CC#N)NC(=O)C(=O)Nc1cccc(C[N@@H+](C)Cc2cscn2)c1 ZINC000123247529 543750449 /nfs/dbraw/zinc/75/04/49/543750449.db2.gz VKOQWSJCCLAKFI-CYBMUJFWSA-N 1 2 371.466 2.132 20 30 FEEDLO Cc1oc(NC(=O)[C@@H](C)N2CC[NH+](Cc3cccnc3)CC2)c(C#N)c1C ZINC000125181400 543865837 /nfs/dbraw/zinc/86/58/37/543865837.db2.gz YFFNHEJMZUIZME-OAHLLOKOSA-N 1 2 367.453 2.308 20 30 FEEDLO N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000126077100 543917094 /nfs/dbraw/zinc/91/70/94/543917094.db2.gz OUMLADLNXVZAMC-ZDUSSCGKSA-N 1 2 361.383 2.105 20 30 FEEDLO C[C@@H](C[S@@](C)=O)[N@H+](C)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000126119803 543919051 /nfs/dbraw/zinc/91/90/51/543919051.db2.gz DLUICAVAWPKGIG-NPMABZOXSA-N 1 2 355.891 2.285 20 30 FEEDLO C[C@@H](C[S@@](C)=O)[N@@H+](C)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000126119803 543919053 /nfs/dbraw/zinc/91/90/53/543919053.db2.gz DLUICAVAWPKGIG-NPMABZOXSA-N 1 2 355.891 2.285 20 30 FEEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+](C)CC(=O)NC(C)(C)C ZINC000127065504 543971144 /nfs/dbraw/zinc/97/11/44/543971144.db2.gz VDMIYDCRJIXRNY-HVEKOLDVSA-N 1 2 350.507 2.152 20 30 FEEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+](C)CC(=O)NC(C)(C)C ZINC000127065504 543971146 /nfs/dbraw/zinc/97/11/46/543971146.db2.gz VDMIYDCRJIXRNY-HVEKOLDVSA-N 1 2 350.507 2.152 20 30 FEEDLO NC(CN1CCOCC1)=[NH+]OCc1nc(-c2c(F)cccc2F)cs1 ZINC000128097883 544032890 /nfs/dbraw/zinc/03/28/90/544032890.db2.gz HVOZPHHNLJYORI-UHFFFAOYSA-N 1 2 368.409 2.209 20 30 FEEDLO CCC(=O)N[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000130450687 544151400 /nfs/dbraw/zinc/15/14/00/544151400.db2.gz ODZDKJRVRVYNSY-DOTOQJQBSA-N 1 2 374.460 2.451 20 30 FEEDLO CCC(=O)N[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000130450687 544151402 /nfs/dbraw/zinc/15/14/02/544151402.db2.gz ODZDKJRVRVYNSY-DOTOQJQBSA-N 1 2 374.460 2.451 20 30 FEEDLO C=CC[C@@H](C)[C@H](C)[NH2+]C1CCN(S(=O)(=O)NCC(F)(F)F)CC1 ZINC000130536365 544154899 /nfs/dbraw/zinc/15/48/99/544154899.db2.gz XIITUHNKQRKGNA-NEPJUHHUSA-N 1 2 357.442 2.038 20 30 FEEDLO CCN(CC)C(=O)[C@H](C)[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000130839694 544167768 /nfs/dbraw/zinc/16/77/68/544167768.db2.gz UYBLAIZLVLJKHT-INIZCTEOSA-N 1 2 365.481 2.485 20 30 FEEDLO CC(C)Cn1cc[nH+]c1CNC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000130911638 544170454 /nfs/dbraw/zinc/17/04/54/544170454.db2.gz KAZBNIUAEGWUJV-UHFFFAOYSA-N 1 2 359.817 2.319 20 30 FEEDLO C[N@H+](CCC(=O)Nc1cccc(C#N)c1)Cc1nc2ccsc2c(=O)[nH]1 ZINC000131892383 544211126 /nfs/dbraw/zinc/21/11/26/544211126.db2.gz GLMHZHCPVNTHEH-UHFFFAOYSA-N 1 2 367.434 2.317 20 30 FEEDLO C[N@@H+](CCC(=O)Nc1cccc(C#N)c1)Cc1nc2ccsc2c(=O)[nH]1 ZINC000131892383 544211127 /nfs/dbraw/zinc/21/11/27/544211127.db2.gz GLMHZHCPVNTHEH-UHFFFAOYSA-N 1 2 367.434 2.317 20 30 FEEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCOC[C@@H]2C2CC2)cc1 ZINC000132400130 544229821 /nfs/dbraw/zinc/22/98/21/544229821.db2.gz WOBYWAVBTSGDQL-LJQANCHMSA-N 1 2 357.454 2.443 20 30 FEEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CCOC[C@@H]2C2CC2)cc1 ZINC000132400130 544229823 /nfs/dbraw/zinc/22/98/23/544229823.db2.gz WOBYWAVBTSGDQL-LJQANCHMSA-N 1 2 357.454 2.443 20 30 FEEDLO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCOC3(CCOCC3)C2)cc1C ZINC000135648788 544357564 /nfs/dbraw/zinc/35/75/64/544357564.db2.gz UTHYXKZKLVURQU-UHFFFAOYSA-N 1 2 371.481 2.432 20 30 FEEDLO Cc1ccc(N(CCC#N)C(=O)C[N@H+]2CCOC3(CCOCC3)C2)cc1C ZINC000135648788 544357567 /nfs/dbraw/zinc/35/75/67/544357567.db2.gz UTHYXKZKLVURQU-UHFFFAOYSA-N 1 2 371.481 2.432 20 30 FEEDLO C=CCNc1ncc(C(=O)NC[C@@H](CC(C)C)[NH+]2CCOCC2)s1 ZINC000136117941 544366581 /nfs/dbraw/zinc/36/65/81/544366581.db2.gz DVXNYCZJVVDSLO-CQSZACIVSA-N 1 2 352.504 2.218 20 30 FEEDLO COc1cc(C(N)=[NH+]OCC(=O)N2CCCC[C@@H]2C)cc(Cl)c1OC ZINC000148956972 544454841 /nfs/dbraw/zinc/45/48/41/544454841.db2.gz LSRQCRVUEXDVFK-NSHDSACASA-N 1 2 369.849 2.395 20 30 FEEDLO CC(C)Cn1cc[nH+]c1CNC(=O)N1CC(Oc2ccc(C#N)cc2)C1 ZINC000153158697 544740218 /nfs/dbraw/zinc/74/02/18/544740218.db2.gz MNNZJQLJGYQABG-UHFFFAOYSA-N 1 2 353.426 2.384 20 30 FEEDLO N#Cc1ccc(Nc2cccc(C(=O)NCC[NH+]3CCOCC3)c2)cc1 ZINC000154716411 544940889 /nfs/dbraw/zinc/94/08/89/544940889.db2.gz IYNMZJBLWZEASH-UHFFFAOYSA-N 1 2 350.422 2.364 20 30 FEEDLO CC#CCC[NH+]1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000155041000 544980876 /nfs/dbraw/zinc/98/08/76/544980876.db2.gz GZJFNADFWFKEEL-UHFFFAOYSA-N 1 2 360.401 2.425 20 30 FEEDLO Cc1ccc(C[NH+]2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)s1 ZINC000179759009 327658977 /nfs/dbraw/zinc/65/89/77/327658977.db2.gz GNFYSFWAKNAOTK-UHFFFAOYSA-N 1 2 361.492 2.435 20 30 FEEDLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(Cc2ccc(Cl)cc2C#N)CC1 ZINC000187151649 328005098 /nfs/dbraw/zinc/00/50/98/328005098.db2.gz YVHVBWOEJCDIMW-HNNXBMFYSA-N 1 2 360.889 2.340 20 30 FEEDLO COc1cc[nH+]c(CN2CCN(c3ccc(C#N)cc3F)CC2)c1OC ZINC000190498636 328211762 /nfs/dbraw/zinc/21/17/62/328211762.db2.gz GMVGHOFHSZILHZ-UHFFFAOYSA-N 1 2 356.401 2.432 20 30 FEEDLO CCc1nnc(C2CC[NH+]([C@H]3CCN(c4sccc4C#N)C3=O)CC2)[nH]1 ZINC000190668529 328223499 /nfs/dbraw/zinc/22/34/99/328223499.db2.gz JSGFBGFTBJYVDU-AWEZNQCLSA-N 1 2 370.482 2.285 20 30 FEEDLO CCc1n[nH]c(C2CC[NH+]([C@H]3CCN(c4sccc4C#N)C3=O)CC2)n1 ZINC000190668529 328223500 /nfs/dbraw/zinc/22/35/00/328223500.db2.gz JSGFBGFTBJYVDU-AWEZNQCLSA-N 1 2 370.482 2.285 20 30 FEEDLO Cc1ccc([C@H](CNC(=O)c2ccc(C#N)c(O)c2)[NH+]2CCOCC2)cc1 ZINC000190794723 328233096 /nfs/dbraw/zinc/23/30/96/328233096.db2.gz NEFZLQANOYIFBB-IBGZPJMESA-N 1 2 365.433 2.376 20 30 FEEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCSC[C@@H]1c1cnn(C)c1 ZINC000191218464 328254368 /nfs/dbraw/zinc/25/43/68/328254368.db2.gz CMKFBMBVDBPFCW-MRXNPFEDSA-N 1 2 358.467 2.469 20 30 FEEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCSC[C@@H]1c1cnn(C)c1 ZINC000191218464 328254369 /nfs/dbraw/zinc/25/43/69/328254369.db2.gz CMKFBMBVDBPFCW-MRXNPFEDSA-N 1 2 358.467 2.469 20 30 FEEDLO N#Cc1nc(-c2ccco2)oc1N1CC[NH+](Cc2ccnc(N)c2)CC1 ZINC000191560682 328271346 /nfs/dbraw/zinc/27/13/46/328271346.db2.gz LVLKPJDYSCHTRU-UHFFFAOYSA-N 1 2 350.382 2.106 20 30 FEEDLO CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)NCCCNc1cccc[nH+]1 ZINC000192704201 328334245 /nfs/dbraw/zinc/33/42/45/328334245.db2.gz ZIMDNATWFXGLGR-UHFFFAOYSA-N 1 2 368.441 2.067 20 30 FEEDLO Cc1ccccc1CN(C)C(=O)C[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000193772787 328394421 /nfs/dbraw/zinc/39/44/21/328394421.db2.gz HRULMVONLOXXLW-UHFFFAOYSA-N 1 2 363.465 2.042 20 30 FEEDLO C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)c1cc(C#N)cn1C ZINC000081152911 325161017 /nfs/dbraw/zinc/16/10/17/325161017.db2.gz NKHYXDXOSMHPTH-QGZVFWFLSA-N 1 2 366.465 2.260 20 30 FEEDLO CCCC(=O)NC[C@@H]1CCC[N@@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000083170236 325214459 /nfs/dbraw/zinc/21/44/59/325214459.db2.gz RIUGPWKQXMKKCV-GOEBONIOSA-N 1 2 374.510 2.353 20 30 FEEDLO CCCC(=O)NC[C@@H]1CCC[N@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000083170236 325214462 /nfs/dbraw/zinc/21/44/62/325214462.db2.gz RIUGPWKQXMKKCV-GOEBONIOSA-N 1 2 374.510 2.353 20 30 FEEDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)NCCOc2ccc(C#N)cc2)C1 ZINC000119318165 326149093 /nfs/dbraw/zinc/14/90/93/326149093.db2.gz NZXFOCJLMUKIEC-QGZVFWFLSA-N 1 2 367.453 2.335 20 30 FEEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCCN(C(=O)C2CC2)CC1 ZINC000121224122 326322743 /nfs/dbraw/zinc/32/27/43/326322743.db2.gz AEDICUGHDCWYDS-CYBMUJFWSA-N 1 2 374.872 2.483 20 30 FEEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCCN(C(=O)C2CC2)CC1 ZINC000121224122 326322744 /nfs/dbraw/zinc/32/27/44/326322744.db2.gz AEDICUGHDCWYDS-CYBMUJFWSA-N 1 2 374.872 2.483 20 30 FEEDLO Cc1ccc(C#N)cc1S(=O)(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000122059822 326382387 /nfs/dbraw/zinc/38/23/87/326382387.db2.gz HAPNQHUQYRYGHQ-MRXNPFEDSA-N 1 2 358.467 2.244 20 30 FEEDLO C[C@H]1CCN(C(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@H]1n1cc[nH+]c1 ZINC000126599150 326491743 /nfs/dbraw/zinc/49/17/43/326491743.db2.gz OCPLCRKKZGWCTI-LRDDRELGSA-N 1 2 371.828 2.456 20 30 FEEDLO Cc1cccc(NC(=O)C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1C#N ZINC000151455725 326682952 /nfs/dbraw/zinc/68/29/52/326682952.db2.gz KVMYCIQOLMRLAY-RHSMWYFYSA-N 1 2 351.410 2.111 20 30 FEEDLO Cn1c(Nc2ccc3c(c2)[nH+]cn3-c2ccccc2)c(C#N)c(=O)n(C)c1=O ZINC000154450731 326760411 /nfs/dbraw/zinc/76/04/11/326760411.db2.gz GVWILGAVYICCNB-UHFFFAOYSA-N 1 2 372.388 2.038 20 30 FEEDLO Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N(C)CCCn3cc[nH+]c3)C2)n1 ZINC000154896316 326771825 /nfs/dbraw/zinc/77/18/25/326771825.db2.gz ITUOWFWKGHKBRY-GOSISDBHSA-N 1 2 366.469 2.223 20 30 FEEDLO N#Cc1cc(CN2CC[NH+](CC(=O)NCc3ccccc3)CC2)ccc1F ZINC000160635346 326971989 /nfs/dbraw/zinc/97/19/89/326971989.db2.gz XDSATMKXDYIQLI-UHFFFAOYSA-N 1 2 366.440 2.131 20 30 FEEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCN(c2cccnn2)CC1 ZINC000170649894 327091098 /nfs/dbraw/zinc/09/10/98/327091098.db2.gz PUWCCXZFLXGAFP-CYBMUJFWSA-N 1 2 370.844 2.151 20 30 FEEDLO CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000170861442 327103262 /nfs/dbraw/zinc/10/32/62/327103262.db2.gz HYBLYJCALHALLY-SFHVURJKSA-N 1 2 359.470 2.189 20 30 FEEDLO CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000170861442 327103264 /nfs/dbraw/zinc/10/32/64/327103264.db2.gz HYBLYJCALHALLY-SFHVURJKSA-N 1 2 359.470 2.189 20 30 FEEDLO Cc1c(C#N)cccc1NC(=O)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000178423884 327584128 /nfs/dbraw/zinc/58/41/28/327584128.db2.gz RYGJXCCOFLUSJH-UHFFFAOYSA-N 1 2 362.433 2.150 20 30 FEEDLO CCO[C@@H]1C[C@H](O)C12CC[NH+]([C@@H](C(=O)OC)c1cccc(C#N)c1)CC2 ZINC000246543985 328626046 /nfs/dbraw/zinc/62/60/46/328626046.db2.gz SUHNPCRLEVFRBD-RCCFBDPRSA-N 1 2 358.438 2.024 20 30 FEEDLO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000247020050 328662728 /nfs/dbraw/zinc/66/27/28/328662728.db2.gz PBOLDVOQRNXCFQ-HQRMLTQVSA-N 1 2 371.481 2.141 20 30 FEEDLO CC(=O)N1CC[NH+](CCNc2c(C#N)cnc3ccc(Cl)cc32)CC1 ZINC000266402048 329219403 /nfs/dbraw/zinc/21/94/03/329219403.db2.gz PNJQGXXPSOCWJB-UHFFFAOYSA-N 1 2 357.845 2.336 20 30 FEEDLO COC(=O)[C@@H]1CCC[C@H](C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000266871950 329267904 /nfs/dbraw/zinc/26/79/04/329267904.db2.gz XYKAWKKITUVMEM-RBUKOAKNSA-N 1 2 369.465 2.182 20 30 FEEDLO N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)Cn1cc[nH+]c1)CCCC2 ZINC000267378176 329320863 /nfs/dbraw/zinc/32/08/63/329320863.db2.gz AILPDWOQVBFPOH-AWEZNQCLSA-N 1 2 353.426 2.253 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@@H]3CCC[C@@H]4OCC[C@@H]43)CC2)cc1 ZINC000268518675 329430197 /nfs/dbraw/zinc/43/01/97/329430197.db2.gz ZNSSGHLHICWFQR-AQNXPRMDSA-N 1 2 368.481 2.343 20 30 FEEDLO COC(=O)[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)C1CC1 ZINC000276439017 330151930 /nfs/dbraw/zinc/15/19/30/330151930.db2.gz KXIFNPRYUMXKNH-MRXNPFEDSA-N 1 2 361.467 2.368 20 30 FEEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000286425251 330184093 /nfs/dbraw/zinc/18/40/93/330184093.db2.gz INUAYTMACWBZKF-ZLDLUXBVSA-N 1 2 355.360 2.378 20 30 FEEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000286425251 330184095 /nfs/dbraw/zinc/18/40/95/330184095.db2.gz INUAYTMACWBZKF-ZLDLUXBVSA-N 1 2 355.360 2.378 20 30 FEEDLO C#CCCCS(=O)(=O)NC1(c2noc(C[NH+](CC)CC)n2)CCCC1 ZINC000804967944 674309569 /nfs/dbraw/zinc/30/95/69/674309569.db2.gz MSIFHRZMFZXJNW-UHFFFAOYSA-N 1 2 368.503 2.014 20 30 FEEDLO C[C@@H]1CN(c2ccc(CNC(=O)c3cccc(F)c3C#N)c[nH+]2)CCO1 ZINC000186727381 518180184 /nfs/dbraw/zinc/18/01/84/518180184.db2.gz TXCGUZLFHTXAGD-CYBMUJFWSA-N 1 2 354.385 2.247 20 30 FEEDLO CCc1oc(C(=O)OC)cc1C[N@@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000155648231 545554442 /nfs/dbraw/zinc/55/44/42/545554442.db2.gz AXSUGFFYYAKQPV-ZDUSSCGKSA-N 1 2 369.425 2.001 20 30 FEEDLO CCc1oc(C(=O)OC)cc1C[N@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000155648231 545554445 /nfs/dbraw/zinc/55/44/45/545554445.db2.gz AXSUGFFYYAKQPV-ZDUSSCGKSA-N 1 2 369.425 2.001 20 30 FEEDLO COc1ccc(C[N@H+](C)CC(=O)NCc2cccc(C#N)c2)c(OC)c1 ZINC000477416289 561144413 /nfs/dbraw/zinc/14/44/13/561144413.db2.gz UWBMQETZCFDKMK-UHFFFAOYSA-N 1 2 353.422 2.324 20 30 FEEDLO COc1ccc(C[N@@H+](C)CC(=O)NCc2cccc(C#N)c2)c(OC)c1 ZINC000477416289 561144414 /nfs/dbraw/zinc/14/44/14/561144414.db2.gz UWBMQETZCFDKMK-UHFFFAOYSA-N 1 2 353.422 2.324 20 30 FEEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCOC[C@H]1C[C@H](O)c1ccco1 ZINC000159198637 545930917 /nfs/dbraw/zinc/93/09/17/545930917.db2.gz GQXIIRJYHWWPIK-SJORKVTESA-N 1 2 372.421 2.363 20 30 FEEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCOC[C@H]1C[C@H](O)c1ccco1 ZINC000159198637 545930921 /nfs/dbraw/zinc/93/09/21/545930921.db2.gz GQXIIRJYHWWPIK-SJORKVTESA-N 1 2 372.421 2.363 20 30 FEEDLO C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(Cc2ccc(F)c(C#N)c2)CC1 ZINC000160740502 546068278 /nfs/dbraw/zinc/06/82/78/546068278.db2.gz HPBCGZXBOVIQEP-MRXNPFEDSA-N 1 2 358.461 2.216 20 30 FEEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CCN(c2cccnn2)CC1 ZINC000170649273 546169358 /nfs/dbraw/zinc/16/93/58/546169358.db2.gz PFLNQCPWQADNHW-MRXNPFEDSA-N 1 2 371.510 2.263 20 30 FEEDLO N#CCN(CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)C1CCCC1 ZINC000172570799 546259282 /nfs/dbraw/zinc/25/92/82/546259282.db2.gz OMHGSYSQJGTZDE-UHFFFAOYSA-N 1 2 356.470 2.225 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174249263 546293993 /nfs/dbraw/zinc/29/39/93/546293993.db2.gz MRPMDVQOEUXGQV-LJQANCHMSA-N 1 2 374.441 2.492 20 30 FEEDLO CNC(=O)CC1CC[NH+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000175013299 546305927 /nfs/dbraw/zinc/30/59/27/546305927.db2.gz SNQQGVLSCBEVMD-GFCCVEGCSA-N 1 2 374.510 2.284 20 30 FEEDLO C=C(C)CN(CC)C(=O)C[NH2+][C@](C)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000177387798 546607550 /nfs/dbraw/zinc/60/75/50/546607550.db2.gz WJSSKKNSQFMFFL-KRWDZBQOSA-N 1 2 371.403 2.420 20 30 FEEDLO C=CCOc1cccc(NC(=O)C(=O)N2CCC(n3cc[nH+]c3)CC2)c1 ZINC000177428064 546616488 /nfs/dbraw/zinc/61/64/88/546616488.db2.gz OAXADNAGZUCYDA-UHFFFAOYSA-N 1 2 354.410 2.250 20 30 FEEDLO CCC[C@@H](C)NC(=O)[C@H](C)O[NH+]=C(N)c1ccc(-n2nc(C)cc2C)nc1 ZINC000177482682 546627551 /nfs/dbraw/zinc/62/75/51/546627551.db2.gz CUCYMJWTIQBYSZ-DOMZBBRYSA-N 1 2 372.473 2.214 20 30 FEEDLO C=CC[N@@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000179967352 547034870 /nfs/dbraw/zinc/03/48/70/547034870.db2.gz OPGJXTPSEOCDDY-GOSISDBHSA-N 1 2 370.478 2.134 20 30 FEEDLO C=CC[N@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000179967352 547034872 /nfs/dbraw/zinc/03/48/72/547034872.db2.gz OPGJXTPSEOCDDY-GOSISDBHSA-N 1 2 370.478 2.134 20 30 FEEDLO C=CCCC[C@H](C)NC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000180944099 547216416 /nfs/dbraw/zinc/21/64/16/547216416.db2.gz JVZXFAMRAVPVSO-KRWDZBQOSA-N 1 2 372.513 2.234 20 30 FEEDLO CSc1[nH]c(=O)c(C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)cc1C#N ZINC000483125457 561268066 /nfs/dbraw/zinc/26/80/66/561268066.db2.gz WVXJHAYVTQWCRE-UHFFFAOYSA-N 1 2 374.441 2.382 20 30 FEEDLO CSc1[nH]c(=O)c(C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)cc1C#N ZINC000483125457 561268067 /nfs/dbraw/zinc/26/80/67/561268067.db2.gz WVXJHAYVTQWCRE-UHFFFAOYSA-N 1 2 374.441 2.382 20 30 FEEDLO N#Cc1ccc(N2CCC[C@@H]([NH+]3CCN(c4nccs4)CC3)C2=O)cc1 ZINC000182623488 547523484 /nfs/dbraw/zinc/52/34/84/547523484.db2.gz FGLLWJPLJZXMAT-QGZVFWFLSA-N 1 2 367.478 2.332 20 30 FEEDLO Cc1nc(N2CCN(CC(=O)Nc3ccc(C#N)c(Cl)c3)CC2)cc[nH+]1 ZINC000183780179 547718310 /nfs/dbraw/zinc/71/83/10/547718310.db2.gz IHGGQHLFEONNTE-UHFFFAOYSA-N 1 2 370.844 2.071 20 30 FEEDLO C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000184345096 547811612 /nfs/dbraw/zinc/81/16/12/547811612.db2.gz LKFBNXNCJZUSAJ-JKSUJKDBSA-N 1 2 358.442 2.306 20 30 FEEDLO N#Cc1ccc(OC2CN(C(=O)NCCCNc3cccc[nH+]3)C2)cc1 ZINC000184449970 547829055 /nfs/dbraw/zinc/82/90/55/547829055.db2.gz XCTCEUIQWIKJNU-UHFFFAOYSA-N 1 2 351.410 2.228 20 30 FEEDLO CCc1nc([C@H](C)[NH2+]CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)cs1 ZINC000184722664 547870536 /nfs/dbraw/zinc/87/05/36/547870536.db2.gz QRPKHVUJNIZKJJ-GOEBONIOSA-N 1 2 363.531 2.048 20 30 FEEDLO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCO[C@]3(CCOC3)C2)cc1C ZINC000185183231 547947820 /nfs/dbraw/zinc/94/78/20/547947820.db2.gz KOLGSOXTMVSXLC-HXUWFJFHSA-N 1 2 357.454 2.041 20 30 FEEDLO Cc1ccc(N(CCC#N)C(=O)C[N@H+]2CCO[C@]3(CCOC3)C2)cc1C ZINC000185183231 547947824 /nfs/dbraw/zinc/94/78/24/547947824.db2.gz KOLGSOXTMVSXLC-HXUWFJFHSA-N 1 2 357.454 2.041 20 30 FEEDLO C=CCCO[C@H](C)C(=O)Nc1cccc(C[NH+]2CCN(C(C)=O)CC2)c1 ZINC000187158471 548251807 /nfs/dbraw/zinc/25/18/07/548251807.db2.gz LAIABXNFZVKCQZ-MRXNPFEDSA-N 1 2 359.470 2.270 20 30 FEEDLO Cc1cc(N2CC[NH+]([C@@H](C)C(=O)N(CCC#N)c3ccccc3)CC2)n[nH]1 ZINC000187162886 548252603 /nfs/dbraw/zinc/25/26/03/548252603.db2.gz CTKNYJWYFSNHRU-KRWDZBQOSA-N 1 2 366.469 2.176 20 30 FEEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1C[C@H](COC)O[C@@H](C)C1 ZINC000189401560 548302198 /nfs/dbraw/zinc/30/21/98/548302198.db2.gz QFTXCSHFCSTJLV-HRCADAONSA-N 1 2 352.500 2.387 20 30 FEEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1C[C@H](COC)O[C@@H](C)C1 ZINC000189401560 548302202 /nfs/dbraw/zinc/30/22/02/548302202.db2.gz QFTXCSHFCSTJLV-HRCADAONSA-N 1 2 352.500 2.387 20 30 FEEDLO N#CCCCCS(=O)(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000190657589 548330971 /nfs/dbraw/zinc/33/09/71/548330971.db2.gz VXAIZVYDNCJZBM-UHFFFAOYSA-N 1 2 355.891 2.311 20 30 FEEDLO N#CCCCCS(=O)(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000190657589 548330976 /nfs/dbraw/zinc/33/09/76/548330976.db2.gz VXAIZVYDNCJZBM-UHFFFAOYSA-N 1 2 355.891 2.311 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCCN(C(=O)c2ccccc2F)CC1 ZINC000192560223 548365847 /nfs/dbraw/zinc/36/58/47/548365847.db2.gz NRJZJPGDBXCADJ-FQEVSTJZSA-N 1 2 374.460 2.028 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCCN(C(=O)c2ccccc2F)CC1 ZINC000192560223 548365851 /nfs/dbraw/zinc/36/58/51/548365851.db2.gz NRJZJPGDBXCADJ-FQEVSTJZSA-N 1 2 374.460 2.028 20 30 FEEDLO C[N@@H+]1CCO[C@H]([C@H](NC(=O)c2ccnc(C#N)c2)c2ccc(Cl)cc2)C1 ZINC000193722489 548394343 /nfs/dbraw/zinc/39/43/43/548394343.db2.gz ABIKEYNFPSFQQC-ZWKOTPCHSA-N 1 2 370.840 2.408 20 30 FEEDLO C[N@H+]1CCO[C@H]([C@H](NC(=O)c2ccnc(C#N)c2)c2ccc(Cl)cc2)C1 ZINC000193722489 548394346 /nfs/dbraw/zinc/39/43/46/548394346.db2.gz ABIKEYNFPSFQQC-ZWKOTPCHSA-N 1 2 370.840 2.408 20 30 FEEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)Nc1c[nH+]ccc1OC ZINC000195050949 548568847 /nfs/dbraw/zinc/56/88/47/548568847.db2.gz VXHNKWXHKJVWKT-UHFFFAOYSA-N 1 2 350.378 2.115 20 30 FEEDLO CCCCCCCS(=O)(=O)N1CCCC[C@H]([NH+]2CCN(C)CC2)C1 ZINC000195442680 548641375 /nfs/dbraw/zinc/64/13/75/548641375.db2.gz KABJENDYCLPALZ-SFHVURJKSA-N 1 2 359.580 2.389 20 30 FEEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)Nc1ccc(C#N)c(Br)c1 ZINC000487892156 561378024 /nfs/dbraw/zinc/37/80/24/561378024.db2.gz FHVPJVHDUPOMPX-LLVKDONJSA-N 1 2 367.247 2.163 20 30 FEEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)Nc1ccc(C#N)c(Br)c1 ZINC000487892156 561378025 /nfs/dbraw/zinc/37/80/25/561378025.db2.gz FHVPJVHDUPOMPX-LLVKDONJSA-N 1 2 367.247 2.163 20 30 FEEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000245589194 548952060 /nfs/dbraw/zinc/95/20/60/548952060.db2.gz FSURLUCUYWMQRI-DZGCQCFKSA-N 1 2 358.467 2.034 20 30 FEEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000245589194 548952063 /nfs/dbraw/zinc/95/20/63/548952063.db2.gz FSURLUCUYWMQRI-DZGCQCFKSA-N 1 2 358.467 2.034 20 30 FEEDLO C[N@@H+]1CCO[C@@H]([C@@H](NC(=O)c2ccc(C#N)cn2)c2ccc(Cl)cc2)C1 ZINC000245713877 548981524 /nfs/dbraw/zinc/98/15/24/548981524.db2.gz FYMKMWWHAQFKJO-MSOLQXFVSA-N 1 2 370.840 2.408 20 30 FEEDLO C[N@H+]1CCO[C@@H]([C@@H](NC(=O)c2ccc(C#N)cn2)c2ccc(Cl)cc2)C1 ZINC000245713877 548981530 /nfs/dbraw/zinc/98/15/30/548981530.db2.gz FYMKMWWHAQFKJO-MSOLQXFVSA-N 1 2 370.840 2.408 20 30 FEEDLO CCc1oc(C(=O)OC)cc1C[N@@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000246739776 549199995 /nfs/dbraw/zinc/19/99/95/549199995.db2.gz AXSUGFFYYAKQPV-CYBMUJFWSA-N 1 2 369.425 2.001 20 30 FEEDLO CCc1oc(C(=O)OC)cc1C[N@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000246739776 549199999 /nfs/dbraw/zinc/19/99/99/549199999.db2.gz AXSUGFFYYAKQPV-CYBMUJFWSA-N 1 2 369.425 2.001 20 30 FEEDLO C[C@H](C(=O)N(C)Cc1ccccc1)[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000248008598 549398951 /nfs/dbraw/zinc/39/89/51/549398951.db2.gz BCENDUJOUURXAO-QGZVFWFLSA-N 1 2 363.465 2.122 20 30 FEEDLO C[C@@H](C(=O)N(C)Cc1ccccc1)[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000248008594 549399375 /nfs/dbraw/zinc/39/93/75/549399375.db2.gz BCENDUJOUURXAO-KRWDZBQOSA-N 1 2 363.465 2.122 20 30 FEEDLO COCC[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)[C@@H]1CCO[C@@H]1C ZINC000489422467 561410587 /nfs/dbraw/zinc/41/05/87/561410587.db2.gz FGDCETYXNAXLKD-MLGOLLRUSA-N 1 2 351.834 2.276 20 30 FEEDLO COCC[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)[C@@H]1CCO[C@@H]1C ZINC000489422467 561410588 /nfs/dbraw/zinc/41/05/88/561410588.db2.gz FGDCETYXNAXLKD-MLGOLLRUSA-N 1 2 351.834 2.276 20 30 FEEDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000248637033 549472622 /nfs/dbraw/zinc/47/26/22/549472622.db2.gz QOGJPWMXYXVBPM-CQSZACIVSA-N 1 2 352.398 2.276 20 30 FEEDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000248637033 549472625 /nfs/dbraw/zinc/47/26/25/549472625.db2.gz QOGJPWMXYXVBPM-CQSZACIVSA-N 1 2 352.398 2.276 20 30 FEEDLO CCC[C@@]1(C)C(=O)NCC[N@@H+]1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000248722120 549490750 /nfs/dbraw/zinc/49/07/50/549490750.db2.gz GUYFJUOBEGOCTJ-PXNSSMCTSA-N 1 2 354.454 2.044 20 30 FEEDLO CCC[C@@]1(C)C(=O)NCC[N@H+]1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000248722120 549490755 /nfs/dbraw/zinc/49/07/55/549490755.db2.gz GUYFJUOBEGOCTJ-PXNSSMCTSA-N 1 2 354.454 2.044 20 30 FEEDLO CC(C)Cn1cc[nH+]c1CNC(=O)C(=O)Nc1ccc(C#N)cc1Cl ZINC000490513190 561434327 /nfs/dbraw/zinc/43/43/27/561434327.db2.gz JGYAVQYHKKZGQA-UHFFFAOYSA-N 1 2 359.817 2.319 20 30 FEEDLO COc1ccc(C[N@H+](C)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)cc1O ZINC000263989169 549964375 /nfs/dbraw/zinc/96/43/75/549964375.db2.gz JBGGXODVGFEZTP-MRXNPFEDSA-N 1 2 365.389 2.036 20 30 FEEDLO COc1ccc(C[N@@H+](C)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)cc1O ZINC000263989169 549964377 /nfs/dbraw/zinc/96/43/77/549964377.db2.gz JBGGXODVGFEZTP-MRXNPFEDSA-N 1 2 365.389 2.036 20 30 FEEDLO O=C(C[N@@H+]1CCO[C@H]2CCC[C@@H]21)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000265158868 550007114 /nfs/dbraw/zinc/00/71/14/550007114.db2.gz VMOUZDZFPUUHDU-IRXDYDNUSA-N 1 2 366.383 2.426 20 30 FEEDLO O=C(C[N@H+]1CCO[C@H]2CCC[C@@H]21)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000265158868 550007118 /nfs/dbraw/zinc/00/71/18/550007118.db2.gz VMOUZDZFPUUHDU-IRXDYDNUSA-N 1 2 366.383 2.426 20 30 FEEDLO CC(C)CO[C@H](C)C(N)=[NH+]O[C@H](C)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000266227405 550018281 /nfs/dbraw/zinc/01/82/81/550018281.db2.gz SXWCZRVFFZCDMH-CHWSQXEVSA-N 1 2 365.430 2.135 20 30 FEEDLO C=CC[NH+](CC=C)[C@H](C)C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1 ZINC000267839133 550034838 /nfs/dbraw/zinc/03/48/38/550034838.db2.gz ABKUWSRUPRHPRA-OAHLLOKOSA-N 1 2 365.499 2.374 20 30 FEEDLO CCCOc1cccc(CC(=O)N(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000269241149 550171270 /nfs/dbraw/zinc/17/12/70/550171270.db2.gz AQJGLSXXSCPVJT-UHFFFAOYSA-N 1 2 359.470 2.092 20 30 FEEDLO C=CCNC(=O)c1ccc(NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)nc1 ZINC000492911822 561453436 /nfs/dbraw/zinc/45/34/36/561453436.db2.gz NDEPDTOFBHZYPR-IBGZPJMESA-N 1 2 366.465 2.310 20 30 FEEDLO C=CCNC(=O)c1ccc(NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)nc1 ZINC000492911822 561453437 /nfs/dbraw/zinc/45/34/37/561453437.db2.gz NDEPDTOFBHZYPR-IBGZPJMESA-N 1 2 366.465 2.310 20 30 FEEDLO Cc1cc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)nn1CCC#N ZINC000271076250 550337913 /nfs/dbraw/zinc/33/79/13/550337913.db2.gz RXODQHBDDUNGIH-LJQANCHMSA-N 1 2 367.453 2.242 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C[C@H](O)c3cccc(F)c3)CC2)cc1 ZINC000271409038 550372754 /nfs/dbraw/zinc/37/27/54/550372754.db2.gz RKOLHXZJRYOTFL-FQEVSTJZSA-N 1 2 367.424 2.465 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(Cc3ncn(-c4ccccc4)n3)CC2)cc1 ZINC000271501199 550380663 /nfs/dbraw/zinc/38/06/63/550380663.db2.gz GSEGJPFXHWOZRS-UHFFFAOYSA-N 1 2 358.449 2.457 20 30 FEEDLO N#CCCCNC(=O)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000273132375 550486370 /nfs/dbraw/zinc/48/63/70/550486370.db2.gz QZUTYCQUKAIXEM-UHFFFAOYSA-N 1 2 351.410 2.245 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCN(c2cncc3ccccc32)CC1 ZINC000276265210 550577825 /nfs/dbraw/zinc/57/78/25/550577825.db2.gz BUUMMJKSOACOKV-NRFANRHFSA-N 1 2 365.481 2.411 20 30 FEEDLO C[N@H+](CC(=O)NCc1cccc(C#N)c1)Cc1ccc([S@](C)=O)cc1 ZINC000494960434 561479973 /nfs/dbraw/zinc/47/99/73/561479973.db2.gz RVNRITNDWUHCOI-VWLOTQADSA-N 1 2 355.463 2.044 20 30 FEEDLO C[N@@H+](CC(=O)NCc1cccc(C#N)c1)Cc1ccc([S@](C)=O)cc1 ZINC000494960434 561479974 /nfs/dbraw/zinc/47/99/74/561479974.db2.gz RVNRITNDWUHCOI-VWLOTQADSA-N 1 2 355.463 2.044 20 30 FEEDLO N#Cc1ccnc(N2CC[NH+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC2)c1 ZINC000278200094 550760240 /nfs/dbraw/zinc/76/02/40/550760240.db2.gz IUQIDVRVAGPOHN-UHFFFAOYSA-N 1 2 368.353 2.092 20 30 FEEDLO COc1cc(C)c(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1C ZINC000278674340 550810129 /nfs/dbraw/zinc/81/01/29/550810129.db2.gz OUQCWQMHJAUILX-UHFFFAOYSA-N 1 2 360.458 2.392 20 30 FEEDLO N#Cc1cccc(-c2cc(C(=O)N3CCC[C@H]3C[NH+]3CCOCC3)on2)c1 ZINC000278938872 550838050 /nfs/dbraw/zinc/83/80/50/550838050.db2.gz CUGCDBLZQXSUGZ-KRWDZBQOSA-N 1 2 366.421 2.150 20 30 FEEDLO C#CCn1ccc(C[N@@H+](CC)[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)n1 ZINC000279792636 550929376 /nfs/dbraw/zinc/92/93/76/550929376.db2.gz VUCKVUMUYHLCFM-FQEVSTJZSA-N 1 2 361.449 2.405 20 30 FEEDLO C#CCn1ccc(C[N@H+](CC)[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)n1 ZINC000279792636 550929377 /nfs/dbraw/zinc/92/93/77/550929377.db2.gz VUCKVUMUYHLCFM-FQEVSTJZSA-N 1 2 361.449 2.405 20 30 FEEDLO CC1(C)C[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C[C@@]2(CCOC2)O1 ZINC000280301163 550978506 /nfs/dbraw/zinc/97/85/06/550978506.db2.gz FSICHDYJVJJOFV-GOSISDBHSA-N 1 2 363.845 2.420 20 30 FEEDLO CC1(C)C[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C[C@@]2(CCOC2)O1 ZINC000280301163 550978507 /nfs/dbraw/zinc/97/85/07/550978507.db2.gz FSICHDYJVJJOFV-GOSISDBHSA-N 1 2 363.845 2.420 20 30 FEEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2C[C@@H](C)O[C@@]3(CCOC3)C2)c1C ZINC000280326420 550981232 /nfs/dbraw/zinc/98/12/32/550981232.db2.gz HHEMOODCSBMRJR-UTKZUKDTSA-N 1 2 371.481 2.430 20 30 FEEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2C[C@@H](C)O[C@@]3(CCOC3)C2)c1C ZINC000280326420 550981234 /nfs/dbraw/zinc/98/12/34/550981234.db2.gz HHEMOODCSBMRJR-UTKZUKDTSA-N 1 2 371.481 2.430 20 30 FEEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCO[C@]2(CCO[C@@H]2C)C1 ZINC000280488725 550999517 /nfs/dbraw/zinc/99/95/17/550999517.db2.gz QCSCXYNQNIVNHS-MBOZVWFJSA-N 1 2 357.454 2.202 20 30 FEEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCO[C@]2(CCO[C@@H]2C)C1 ZINC000280488725 550999519 /nfs/dbraw/zinc/99/95/19/550999519.db2.gz QCSCXYNQNIVNHS-MBOZVWFJSA-N 1 2 357.454 2.202 20 30 FEEDLO C=C[C@](C)(CCOC)C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000280791595 551032628 /nfs/dbraw/zinc/03/26/28/551032628.db2.gz RCSHVMGHJAPEBP-SVFBPWRDSA-N 1 2 358.482 2.327 20 30 FEEDLO C=C[C@](C)(CCOC)C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000280791595 551032629 /nfs/dbraw/zinc/03/26/29/551032629.db2.gz RCSHVMGHJAPEBP-SVFBPWRDSA-N 1 2 358.482 2.327 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@@H](OCc3ccncc3)C2)cc1 ZINC000280931225 551046882 /nfs/dbraw/zinc/04/68/82/551046882.db2.gz HCSOOEBAOXNHRJ-GOSISDBHSA-N 1 2 371.462 2.018 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@@H](OCc3ccncc3)C2)cc1 ZINC000280931225 551046884 /nfs/dbraw/zinc/04/68/84/551046884.db2.gz HCSOOEBAOXNHRJ-GOSISDBHSA-N 1 2 371.462 2.018 20 30 FEEDLO N#Cc1ccc(CNc2ccc(C(=O)NCC[NH+]3CCOCC3)cc2)cc1 ZINC000281028305 551056166 /nfs/dbraw/zinc/05/61/66/551056166.db2.gz PALNXRCAEFMJJX-UHFFFAOYSA-N 1 2 364.449 2.232 20 30 FEEDLO C#C[C@@H](NC(=O)N[C@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1)C(C)C ZINC000281036350 551056926 /nfs/dbraw/zinc/05/69/26/551056926.db2.gz ILNAVWCHZKQUID-MSOLQXFVSA-N 1 2 370.453 2.484 20 30 FEEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)Nc2ccc(Br)cc2)C1=O ZINC000281195471 551072693 /nfs/dbraw/zinc/07/26/93/551072693.db2.gz CCGBUBSNTPIYDL-CQSZACIVSA-N 1 2 366.259 2.106 20 30 FEEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccc(Br)cc2)C1=O ZINC000281195471 551072694 /nfs/dbraw/zinc/07/26/94/551072694.db2.gz CCGBUBSNTPIYDL-CQSZACIVSA-N 1 2 366.259 2.106 20 30 FEEDLO CCOC(=O)[C@@]1(COC)CCC[N@@H+]([C@@H](C(=O)OC)c2cccc(C#N)c2)C1 ZINC000281282576 551080884 /nfs/dbraw/zinc/08/08/84/551080884.db2.gz GKJXXAMWNGNFPX-XLIONFOSSA-N 1 2 374.437 2.064 20 30 FEEDLO CCOC(=O)[C@@]1(COC)CCC[N@H+]([C@@H](C(=O)OC)c2cccc(C#N)c2)C1 ZINC000281282576 551080886 /nfs/dbraw/zinc/08/08/86/551080886.db2.gz GKJXXAMWNGNFPX-XLIONFOSSA-N 1 2 374.437 2.064 20 30 FEEDLO COc1ccc(C(N)=[NH+]O[C@@H](C)C(=O)N2CCc3sccc3C2)cc1 ZINC000283370385 551355503 /nfs/dbraw/zinc/35/55/03/551355503.db2.gz MAYWDNZGCVTOQS-LBPRGKRZSA-N 1 2 359.451 2.367 20 30 FEEDLO C[C@@H](O[NH+]=C(N)[C@@H]1CCCO1)C(=O)Nc1ccc(Br)cc1 ZINC000283761915 551423507 /nfs/dbraw/zinc/42/35/07/551423507.db2.gz BAVKHWCARAWKGO-SKDRFNHKSA-N 1 2 356.220 2.244 20 30 FEEDLO C[N@@H+]1CCO[C@H]2CCN(C(=O)CCCCOc3cccc(C#N)c3)C[C@H]21 ZINC000284021843 551469980 /nfs/dbraw/zinc/46/99/80/551469980.db2.gz JHUWOPCNGRVBMK-MOPGFXCFSA-N 1 2 357.454 2.039 20 30 FEEDLO C[N@H+]1CCO[C@H]2CCN(C(=O)CCCCOc3cccc(C#N)c3)C[C@H]21 ZINC000284021843 551469982 /nfs/dbraw/zinc/46/99/82/551469982.db2.gz JHUWOPCNGRVBMK-MOPGFXCFSA-N 1 2 357.454 2.039 20 30 FEEDLO C=CCC[C@H](O)CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1[nH+]ccn1C ZINC000284344743 551528977 /nfs/dbraw/zinc/52/89/77/551528977.db2.gz CLCJXQVSODHQML-JKSUJKDBSA-N 1 2 364.490 2.341 20 30 FEEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000285332673 551739824 /nfs/dbraw/zinc/73/98/24/551739824.db2.gz OAWIRKRJAHTBTG-XLIONFOSSA-N 1 2 357.454 2.203 20 30 FEEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000285332673 551739825 /nfs/dbraw/zinc/73/98/25/551739825.db2.gz OAWIRKRJAHTBTG-XLIONFOSSA-N 1 2 357.454 2.203 20 30 FEEDLO C=CCOc1ccccc1CNC(=O)C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000287262631 551982525 /nfs/dbraw/zinc/98/25/25/551982525.db2.gz IUBSBANRLSQQKL-INIZCTEOSA-N 1 2 368.437 2.345 20 30 FEEDLO CCO[C@H]1C[C@@]([NH2+]CCCC2(C#N)CCOCC2)(C(=O)OC)C1(C)C ZINC000499702888 561556461 /nfs/dbraw/zinc/55/64/61/561556461.db2.gz FZDUHGYOXJRWIE-HNAYVOBHSA-N 1 2 352.475 2.423 20 30 FEEDLO Cc1onc(CC(=O)N[C@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)c1C#N ZINC000499980876 561563489 /nfs/dbraw/zinc/56/34/89/561563489.db2.gz HJVXIDVYDNIBHG-ZDUSSCGKSA-N 1 2 374.391 2.456 20 30 FEEDLO Cc1onc(CC(=O)N[C@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)c1C#N ZINC000499980876 561563490 /nfs/dbraw/zinc/56/34/90/561563490.db2.gz HJVXIDVYDNIBHG-ZDUSSCGKSA-N 1 2 374.391 2.456 20 30 FEEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N[C@H](c2ccc(C)cc2)C2CC2)C1=O ZINC000499996684 561563821 /nfs/dbraw/zinc/56/38/21/561563821.db2.gz BZGPJVCDEUUCEY-AZUAARDMSA-N 1 2 355.482 2.281 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N[C@H](c2ccc(C)cc2)C2CC2)C1=O ZINC000499996684 561563822 /nfs/dbraw/zinc/56/38/22/561563822.db2.gz BZGPJVCDEUUCEY-AZUAARDMSA-N 1 2 355.482 2.281 20 30 FEEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)NCCc2ccc(C(C)(C)C)cc2)C1=O ZINC000500015001 561564224 /nfs/dbraw/zinc/56/42/24/561564224.db2.gz NZTULTNZTGLXNE-LJQANCHMSA-N 1 2 371.525 2.362 20 30 FEEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)NCCc2ccc(C(C)(C)C)cc2)C1=O ZINC000500015001 561564225 /nfs/dbraw/zinc/56/42/25/561564225.db2.gz NZTULTNZTGLXNE-LJQANCHMSA-N 1 2 371.525 2.362 20 30 FEEDLO CCOCC(C)(C)CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000289427211 552319760 /nfs/dbraw/zinc/31/97/60/552319760.db2.gz QPNNGPCSJVJYLH-UHFFFAOYSA-N 1 2 358.486 2.448 20 30 FEEDLO CC1(C)CN(S(=O)(=O)c2cncc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000289770234 552376003 /nfs/dbraw/zinc/37/60/03/552376003.db2.gz LELFQHDQULQYAF-UHFFFAOYSA-N 1 2 370.478 2.238 20 30 FEEDLO CC1(C)CN(S(=O)(=O)c2cncc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000289770234 552376005 /nfs/dbraw/zinc/37/60/05/552376005.db2.gz LELFQHDQULQYAF-UHFFFAOYSA-N 1 2 370.478 2.238 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H](Nc3ccccc3)C2)nc1 ZINC000289860277 552390753 /nfs/dbraw/zinc/39/07/53/552390753.db2.gz LATHPKQQIUKDRZ-GOSISDBHSA-N 1 2 370.478 2.303 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@@H](Nc3ccccc3)C2)nc1 ZINC000289860277 552390755 /nfs/dbraw/zinc/39/07/55/552390755.db2.gz LATHPKQQIUKDRZ-GOSISDBHSA-N 1 2 370.478 2.303 20 30 FEEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCn2c[nH+]cc2C1 ZINC000290407171 552474572 /nfs/dbraw/zinc/47/45/72/552474572.db2.gz UBHUMOSSZVPVKT-ZDUSSCGKSA-N 1 2 369.450 2.258 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cc2c(cc1Cl)OCCO2 ZINC000290520147 552492051 /nfs/dbraw/zinc/49/20/51/552492051.db2.gz YXIHHAMIIGPZND-UHFFFAOYSA-N 1 2 365.861 2.159 20 30 FEEDLO CC(C)(C)OC1CC[NH+](CCS(=O)(=O)c2ccc(C#N)cn2)CC1 ZINC000290543030 552495821 /nfs/dbraw/zinc/49/58/21/552495821.db2.gz ZWWOOHIYOHCPHD-UHFFFAOYSA-N 1 2 351.472 2.006 20 30 FEEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC000291944520 552676982 /nfs/dbraw/zinc/67/69/82/552676982.db2.gz UGSYPKIBBYKYDX-HUUCEWRRSA-N 1 2 351.397 2.271 20 30 FEEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC000291944520 552676983 /nfs/dbraw/zinc/67/69/83/552676983.db2.gz UGSYPKIBBYKYDX-HUUCEWRRSA-N 1 2 351.397 2.271 20 30 FEEDLO C[C@@H](NC(=O)C[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1)c1cccs1 ZINC000292055732 552688949 /nfs/dbraw/zinc/68/89/49/552688949.db2.gz BQOZGMLQQUJEJX-UKRRQHHQSA-N 1 2 356.451 2.345 20 30 FEEDLO C[C@@H](NC(=O)C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1)c1cccs1 ZINC000292055732 552688950 /nfs/dbraw/zinc/68/89/50/552688950.db2.gz BQOZGMLQQUJEJX-UKRRQHHQSA-N 1 2 356.451 2.345 20 30 FEEDLO CCOc1ccccc1NC(=O)C[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292172275 552701102 /nfs/dbraw/zinc/70/11/02/552701102.db2.gz LYZIOCVTMZXFOI-INIZCTEOSA-N 1 2 366.421 2.444 20 30 FEEDLO CCOc1ccccc1NC(=O)C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292172275 552701104 /nfs/dbraw/zinc/70/11/04/552701104.db2.gz LYZIOCVTMZXFOI-INIZCTEOSA-N 1 2 366.421 2.444 20 30 FEEDLO N#Cc1ccc(N2CC[C@H]([NH+]3CCN(c4cccc(O)c4)CC3)C2=O)cc1 ZINC000292266266 552710284 /nfs/dbraw/zinc/71/02/84/552710284.db2.gz LASYJAVPEBYIDF-FQEVSTJZSA-N 1 2 362.433 2.191 20 30 FEEDLO C=CCOc1ccc(CC(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)cc1 ZINC000295013313 552951579 /nfs/dbraw/zinc/95/15/79/552951579.db2.gz SVEOXROEEFZODH-UHFFFAOYSA-N 1 2 352.438 2.241 20 30 FEEDLO C[C@@H]1C[C@H](C(F)(F)F)CC[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000295228365 552972689 /nfs/dbraw/zinc/97/26/89/552972689.db2.gz YTFIIJAETLPHKG-DGCLKSJQSA-N 1 2 361.389 2.390 20 30 FEEDLO C[C@@H]1C[C@H](C(F)(F)F)CC[N@H+]1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000295228365 552972691 /nfs/dbraw/zinc/97/26/91/552972691.db2.gz YTFIIJAETLPHKG-DGCLKSJQSA-N 1 2 361.389 2.390 20 30 FEEDLO N#Cc1cc(Br)cnc1N1CC[NH+](Cc2ccccn2)CC1 ZINC000296494506 553169371 /nfs/dbraw/zinc/16/93/71/553169371.db2.gz LEJWTNYCRKEBED-UHFFFAOYSA-N 1 2 358.243 2.433 20 30 FEEDLO CC(C)(CC#N)CS(=O)(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000296745469 553206167 /nfs/dbraw/zinc/20/61/67/553206167.db2.gz PDDGHNDPLJPCFI-UHFFFAOYSA-N 1 2 355.529 2.178 20 30 FEEDLO N#CC1(CS(=O)(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)CC1 ZINC000296894884 553226471 /nfs/dbraw/zinc/22/64/71/553226471.db2.gz DLFZWRUSIICCTF-UHFFFAOYSA-N 1 2 350.831 2.249 20 30 FEEDLO C=C(C)CN(CC)C(=O)NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000502861680 561628126 /nfs/dbraw/zinc/62/81/26/561628126.db2.gz LQBGEQAGMLCUIJ-UHFFFAOYSA-N 1 2 364.534 2.319 20 30 FEEDLO Cc1cc(F)cc2c1C[N@H+](CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)CC2 ZINC000502909272 561629779 /nfs/dbraw/zinc/62/97/79/561629779.db2.gz NMTLFJYLEFECIW-FQEVSTJZSA-N 1 2 372.488 2.185 20 30 FEEDLO Cc1cc(F)cc2c1C[N@@H+](CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)CC2 ZINC000502909272 561629780 /nfs/dbraw/zinc/62/97/80/561629780.db2.gz NMTLFJYLEFECIW-FQEVSTJZSA-N 1 2 372.488 2.185 20 30 FEEDLO N#CC[C@@H]1CC[C@H](NC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000297907095 553355812 /nfs/dbraw/zinc/35/58/12/553355812.db2.gz SRHVUGAEUGKNRX-WDSOQIARSA-N 1 2 356.470 2.269 20 30 FEEDLO N#CC[C@@H]1CC[C@H](NC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000297907095 553355814 /nfs/dbraw/zinc/35/58/14/553355814.db2.gz SRHVUGAEUGKNRX-WDSOQIARSA-N 1 2 356.470 2.269 20 30 FEEDLO COc1cc2c(cc1OC)C[N@H+](CC(=O)NCc1ccc(C#N)cc1)CC2 ZINC000298492428 553431977 /nfs/dbraw/zinc/43/19/77/553431977.db2.gz YBRSQTXMZQFGSO-UHFFFAOYSA-N 1 2 365.433 2.250 20 30 FEEDLO COc1cc2c(cc1OC)C[N@@H+](CC(=O)NCc1ccc(C#N)cc1)CC2 ZINC000298492428 553431978 /nfs/dbraw/zinc/43/19/78/553431978.db2.gz YBRSQTXMZQFGSO-UHFFFAOYSA-N 1 2 365.433 2.250 20 30 FEEDLO N#CCOc1ccccc1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000299108444 553516678 /nfs/dbraw/zinc/51/66/78/553516678.db2.gz YLMSRLPKCSVJGN-SFHVURJKSA-N 1 2 365.433 2.220 20 30 FEEDLO N#CCOc1ccccc1C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000299108444 553516680 /nfs/dbraw/zinc/51/66/80/553516680.db2.gz YLMSRLPKCSVJGN-SFHVURJKSA-N 1 2 365.433 2.220 20 30 FEEDLO C[C@@H]1CN(C[C@H]2CCC[N@@H+]2CC(=O)Nc2cccc(C#N)c2)C[C@H](C)O1 ZINC000299190895 553527592 /nfs/dbraw/zinc/52/75/92/553527592.db2.gz HAGNOHSBMYJALE-JTDSTZFVSA-N 1 2 356.470 2.070 20 30 FEEDLO C[C@@H]1CN(C[C@H]2CCC[N@H+]2CC(=O)Nc2cccc(C#N)c2)C[C@H](C)O1 ZINC000299190895 553527593 /nfs/dbraw/zinc/52/75/93/553527593.db2.gz HAGNOHSBMYJALE-JTDSTZFVSA-N 1 2 356.470 2.070 20 30 FEEDLO CC(C)CN(C)c1ccc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1 ZINC000504663894 561660979 /nfs/dbraw/zinc/66/09/79/561660979.db2.gz YBSWCKXUPLKGNX-UHFFFAOYSA-N 1 2 372.513 2.467 20 30 FEEDLO CCc1nc(CN(C(C)=O)[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C2)no1 ZINC000505271165 561668985 /nfs/dbraw/zinc/66/89/85/561668985.db2.gz FVOLPHSHJWUPKT-INIZCTEOSA-N 1 2 371.416 2.266 20 30 FEEDLO CCc1nc(CN(C(C)=O)[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C2)no1 ZINC000505271165 561668986 /nfs/dbraw/zinc/66/89/86/561668986.db2.gz FVOLPHSHJWUPKT-INIZCTEOSA-N 1 2 371.416 2.266 20 30 FEEDLO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000321644998 553766776 /nfs/dbraw/zinc/76/67/76/553766776.db2.gz BMGBEOIMEAICBZ-JSGCOSHPSA-N 1 2 353.875 2.459 20 30 FEEDLO C[C@H]1C[N@H+]2CCCC[C@H]2CN1S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000321644998 553766778 /nfs/dbraw/zinc/76/67/78/553766778.db2.gz BMGBEOIMEAICBZ-JSGCOSHPSA-N 1 2 353.875 2.459 20 30 FEEDLO CC[N@H+](Cc1noc(C)n1)[C@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC000328624538 553797921 /nfs/dbraw/zinc/79/79/21/553797921.db2.gz CMFNBZVRAMHGPA-HNNXBMFYSA-N 1 2 356.430 2.095 20 30 FEEDLO CC[N@@H+](Cc1noc(C)n1)[C@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC000328624538 553797923 /nfs/dbraw/zinc/79/79/23/553797923.db2.gz CMFNBZVRAMHGPA-HNNXBMFYSA-N 1 2 356.430 2.095 20 30 FEEDLO Cn1cc(C#N)cc1C(=O)N1CCC2(C[C@H]2[N@H+](C)Cc2nccs2)CC1 ZINC000328627417 553798467 /nfs/dbraw/zinc/79/84/67/553798467.db2.gz GBVPZIBCBBTFJN-MRXNPFEDSA-N 1 2 369.494 2.480 20 30 FEEDLO Cn1cc(C#N)cc1C(=O)N1CCC2(C[C@H]2[N@@H+](C)Cc2nccs2)CC1 ZINC000328627417 553798472 /nfs/dbraw/zinc/79/84/72/553798472.db2.gz GBVPZIBCBBTFJN-MRXNPFEDSA-N 1 2 369.494 2.480 20 30 FEEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)NC[C@H]1CCN(CC(F)(F)F)C1)CCC2 ZINC000328662868 553804309 /nfs/dbraw/zinc/80/43/09/553804309.db2.gz XOXAMHJBOMDJPS-KGLIPLIRSA-N 1 2 373.423 2.457 20 30 FEEDLO C[C@H](NC(=O)C[C@@H]1CCCS(=O)(=O)C1)C1([NH+]2CCOCC2)CCCC1 ZINC000328843898 553831416 /nfs/dbraw/zinc/83/14/16/553831416.db2.gz QUMWQLMBHIHXDA-HOTGVXAUSA-N 1 2 372.531 2.191 20 30 FEEDLO O=C(Nc1ccc(F)cc1)N[C@H]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000328897660 553840668 /nfs/dbraw/zinc/84/06/68/553840668.db2.gz CUONTKFGNAGRJT-CJNGLKHVSA-N 1 2 371.416 2.212 20 30 FEEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)c1ccc3n[nH]c(=O)n3c1)C2 ZINC000328902263 553842105 /nfs/dbraw/zinc/84/21/05/553842105.db2.gz GKEQUXZVSAJZGU-LBPRGKRZSA-N 1 2 354.414 2.249 20 30 FEEDLO Cc1cc(C)n(-c2ccccc2NC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)n1 ZINC000328968119 553855256 /nfs/dbraw/zinc/85/52/56/553855256.db2.gz UADVTLHRGIUOAG-OALUTQOASA-N 1 2 369.469 2.440 20 30 FEEDLO Cc1cc(C)n(-c2ccccc2NC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)n1 ZINC000328968119 553855257 /nfs/dbraw/zinc/85/52/57/553855257.db2.gz UADVTLHRGIUOAG-OALUTQOASA-N 1 2 369.469 2.440 20 30 FEEDLO Cc1nn2c(CN3CC[NH+]([C@@H](C)C(=O)NC4CC4)CC3)c(C)nc2s1 ZINC000328977360 553857218 /nfs/dbraw/zinc/85/72/18/553857218.db2.gz BZGXNTMZIDMANQ-LBPRGKRZSA-N 1 2 362.503 2.033 20 30 FEEDLO Cn1c[nH+]cc1[C@H]1[C@H](NC(=O)CC[C@H]2CCOC2)CCC(=O)N1C1CC1 ZINC000329079052 553876677 /nfs/dbraw/zinc/87/66/77/553876677.db2.gz QQNJWMXDBRGOSG-ZBQZNYHESA-N 1 2 360.458 2.388 20 30 FEEDLO CCn1cc[nH+]c1[C@H](NC(=O)[C@H](C)N1CCOCC1)C1CCOCC1 ZINC000329159477 553891433 /nfs/dbraw/zinc/89/14/33/553891433.db2.gz DJFVKDWSQQBUER-GOEBONIOSA-N 1 2 350.463 2.048 20 30 FEEDLO C[C@]1(NC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCCOC1 ZINC000329196038 553899684 /nfs/dbraw/zinc/89/96/84/553899684.db2.gz VRAHBCMWWJUDIG-IBGZPJMESA-N 1 2 360.458 2.036 20 30 FEEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)NCc3nc4ccccc4n3C3CC3)C[C@@H]21 ZINC000329205921 553902238 /nfs/dbraw/zinc/90/22/38/553902238.db2.gz XGLLDMAIKADRNG-ZWKOTPCHSA-N 1 2 369.469 2.190 20 30 FEEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)NCc3nc4ccccc4n3C3CC3)C[C@@H]21 ZINC000329205921 553902240 /nfs/dbraw/zinc/90/22/40/553902240.db2.gz XGLLDMAIKADRNG-ZWKOTPCHSA-N 1 2 369.469 2.190 20 30 FEEDLO C[C@H]1CCCCN1C(=O)N[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C ZINC000329240631 553908882 /nfs/dbraw/zinc/90/88/82/553908882.db2.gz RBMPTZQUSPZILT-JCKWVBRZSA-N 1 2 359.474 2.403 20 30 FEEDLO CC(C)Cn1ncc(NC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)c1C1CC1 ZINC000329284326 553917786 /nfs/dbraw/zinc/91/77/86/553917786.db2.gz NVNCSOMMFXYSOX-SJORKVTESA-N 1 2 361.490 2.367 20 30 FEEDLO CC(C)Cn1ncc(NC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)c1C1CC1 ZINC000329284326 553917788 /nfs/dbraw/zinc/91/77/88/553917788.db2.gz NVNCSOMMFXYSOX-SJORKVTESA-N 1 2 361.490 2.367 20 30 FEEDLO CCO[C@@H]1C[C@H](NC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)C12CCC2 ZINC000329290549 553919104 /nfs/dbraw/zinc/91/91/04/553919104.db2.gz QLMBLSQGUVWBIZ-VVLHAWIVSA-N 1 2 351.491 2.043 20 30 FEEDLO CC[C@@H]1CN(C(=O)Nc2cccc3c2OCCC3=O)C[C@H]1[NH+]1CCOCC1 ZINC000329355581 553930723 /nfs/dbraw/zinc/93/07/23/553930723.db2.gz VUHRNGMWACADDK-RHSMWYFYSA-N 1 2 373.453 2.240 20 30 FEEDLO O=C(N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000329362343 553932433 /nfs/dbraw/zinc/93/24/33/553932433.db2.gz YYADSILCUCGBOP-FGTMMUONSA-N 1 2 363.502 2.235 20 30 FEEDLO O=C(N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000329362343 553932437 /nfs/dbraw/zinc/93/24/37/553932437.db2.gz YYADSILCUCGBOP-FGTMMUONSA-N 1 2 363.502 2.235 20 30 FEEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)c1ccnc(-n3cncn3)c1)C2 ZINC000329392328 553937728 /nfs/dbraw/zinc/93/77/28/553937728.db2.gz UBHUCDCQISETIW-AWEZNQCLSA-N 1 2 365.441 2.476 20 30 FEEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CCC(O)(C(F)(F)F)CC1)CCC2 ZINC000329409988 553941272 /nfs/dbraw/zinc/94/12/72/553941272.db2.gz XXMIMBAMPVOMTK-LBPRGKRZSA-N 1 2 360.380 2.372 20 30 FEEDLO CC[C@@H]1CN(C(=O)N[C@H](c2[nH+]ccn2C)C2CCOCC2)C[C@@H](C)O1 ZINC000329420169 553943232 /nfs/dbraw/zinc/94/32/32/553943232.db2.gz FDVZKOMBWJFTIC-BMFZPTHFSA-N 1 2 350.463 2.301 20 30 FEEDLO CCN1CCN(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)CC1=O ZINC000329472145 553953182 /nfs/dbraw/zinc/95/31/82/553953182.db2.gz ZKABZXUMFMUYFO-ZDUSSCGKSA-N 1 2 365.503 2.085 20 30 FEEDLO CCN1CCN(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)CC1=O ZINC000329472145 553953184 /nfs/dbraw/zinc/95/31/84/553953184.db2.gz ZKABZXUMFMUYFO-ZDUSSCGKSA-N 1 2 365.503 2.085 20 30 FEEDLO COc1ccc2c(c1)CCC[C@@H]2CNC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000329616245 553977255 /nfs/dbraw/zinc/97/72/55/553977255.db2.gz LJXLKPZZWJTSKS-LZQZEXGQSA-N 1 2 359.470 2.044 20 30 FEEDLO COc1ccc2c(c1)CCC[C@@H]2CNC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000329616245 553977258 /nfs/dbraw/zinc/97/72/58/553977258.db2.gz LJXLKPZZWJTSKS-LZQZEXGQSA-N 1 2 359.470 2.044 20 30 FEEDLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000329650853 553982822 /nfs/dbraw/zinc/98/28/22/553982822.db2.gz KQXDBUABIMTERS-NWANDNLSSA-N 1 2 350.488 2.377 20 30 FEEDLO CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CCO[C@H](C3CCCCC3)C2)C1 ZINC000329695492 553990652 /nfs/dbraw/zinc/99/06/52/553990652.db2.gz XMYZYILLOXIDNR-MSOLQXFVSA-N 1 2 351.491 2.235 20 30 FEEDLO CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CCO[C@H](C3CCCCC3)C2)C1 ZINC000329695492 553990656 /nfs/dbraw/zinc/99/06/56/553990656.db2.gz XMYZYILLOXIDNR-MSOLQXFVSA-N 1 2 351.491 2.235 20 30 FEEDLO Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)cc1 ZINC000329701003 553991756 /nfs/dbraw/zinc/99/17/56/553991756.db2.gz HDUIILPKZORUGV-HAGHYFMRSA-N 1 2 373.497 2.392 20 30 FEEDLO Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)cc1 ZINC000329701003 553991757 /nfs/dbraw/zinc/99/17/57/553991757.db2.gz HDUIILPKZORUGV-HAGHYFMRSA-N 1 2 373.497 2.392 20 30 FEEDLO CCn1cc[nH+]c1[C@H](NC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]12)C1CCOCC1 ZINC000329720831 553994984 /nfs/dbraw/zinc/99/49/84/553994984.db2.gz MWOPCWUQUXUSDY-YLFCFFPRSA-N 1 2 363.458 2.379 20 30 FEEDLO Cc1nnc(CN(C)CC(=O)N[C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)n1C ZINC000329820751 554012018 /nfs/dbraw/zinc/01/20/18/554012018.db2.gz AHIMVIXTXZCNMN-CQSZACIVSA-N 1 2 373.505 2.021 20 30 FEEDLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)N[C@@H]1CCCCC12CCCC2 ZINC000329837980 554015472 /nfs/dbraw/zinc/01/54/72/554015472.db2.gz VNYFGPTZSZDHFK-DLBZAZTESA-N 1 2 353.507 2.028 20 30 FEEDLO C[C@H](NC(=O)C[N@@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1)C(=O)N1CCCCC1 ZINC000329848726 554018428 /nfs/dbraw/zinc/01/84/28/554018428.db2.gz PTBRTCKIQGAKGQ-BQFCYCMXSA-N 1 2 363.502 2.377 20 30 FEEDLO C[C@H](NC(=O)C[N@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1)C(=O)N1CCCCC1 ZINC000329848726 554018431 /nfs/dbraw/zinc/01/84/31/554018431.db2.gz PTBRTCKIQGAKGQ-BQFCYCMXSA-N 1 2 363.502 2.377 20 30 FEEDLO Cc1ccnc(-c2cccc(NC(=O)N3C[C@@H]4[C@H](C3)OCC[N@H+]4C)c2)n1 ZINC000329940051 554035245 /nfs/dbraw/zinc/03/52/45/554035245.db2.gz BIPYEBSQPLPKNE-SJORKVTESA-N 1 2 353.426 2.012 20 30 FEEDLO Cc1ccnc(-c2cccc(NC(=O)N3C[C@@H]4[C@H](C3)OCC[N@@H+]4C)c2)n1 ZINC000329940051 554035249 /nfs/dbraw/zinc/03/52/49/554035249.db2.gz BIPYEBSQPLPKNE-SJORKVTESA-N 1 2 353.426 2.012 20 30 FEEDLO CCO[C@@H]1C[C@H](NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)C12CCOCC2 ZINC000329938475 554035429 /nfs/dbraw/zinc/03/54/29/554035429.db2.gz AJUXCMFMLWKGCV-DLBZAZTESA-N 1 2 362.474 2.477 20 30 FEEDLO CCO[C@@H]1C[C@H](NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)C12CCOCC2 ZINC000329938475 554035430 /nfs/dbraw/zinc/03/54/30/554035430.db2.gz AJUXCMFMLWKGCV-DLBZAZTESA-N 1 2 362.474 2.477 20 30 FEEDLO Cn1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CNC(=O)N[C@@H]2CCCC2(C)C)cn1 ZINC000329993393 554045760 /nfs/dbraw/zinc/04/57/60/554045760.db2.gz YJLAOXWLOGEOLQ-HRCADAONSA-N 1 2 351.470 2.415 20 30 FEEDLO Cn1cc(C[N@H+]2C[C@@H](F)C[C@H]2CNC(=O)N[C@@H]2CCCC2(C)C)cn1 ZINC000329993393 554045761 /nfs/dbraw/zinc/04/57/61/554045761.db2.gz YJLAOXWLOGEOLQ-HRCADAONSA-N 1 2 351.470 2.415 20 30 FEEDLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)N1CCOC2(CCOCC2)C1 ZINC000330169074 554077172 /nfs/dbraw/zinc/07/71/72/554077172.db2.gz DBAXYSHNEMMECN-UHFFFAOYSA-N 1 2 356.426 2.168 20 30 FEEDLO CC[C@H]1C[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C[C@]2(CCOC2)O1 ZINC000330166926 554077356 /nfs/dbraw/zinc/07/73/56/554077356.db2.gz YLYQMYDIKIRYLB-LPHOPBHVSA-N 1 2 354.410 2.378 20 30 FEEDLO CC[C@H]1C[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C[C@]2(CCOC2)O1 ZINC000330166926 554077357 /nfs/dbraw/zinc/07/73/57/554077357.db2.gz YLYQMYDIKIRYLB-LPHOPBHVSA-N 1 2 354.410 2.378 20 30 FEEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN(C(=O)Cc2ccc(C)cc2)CC1 ZINC000507648468 561736587 /nfs/dbraw/zinc/73/65/87/561736587.db2.gz BYCWXBXMEHMYCC-LJQANCHMSA-N 1 2 371.525 2.495 20 30 FEEDLO O=C(NCc1cn2ccccc2[nH+]1)N1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000330224959 554088761 /nfs/dbraw/zinc/08/87/61/554088761.db2.gz AXBPATBAGNXJJF-UHFFFAOYSA-N 1 2 365.441 2.171 20 30 FEEDLO CC[C@]1(O)CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)C1 ZINC000330285517 554099780 /nfs/dbraw/zinc/09/97/80/554099780.db2.gz YZNPRQUYVNUHDA-RYRKJORJSA-N 1 2 353.413 2.471 20 30 FEEDLO CC[C@]1(O)CCN(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)C1 ZINC000330285517 554099781 /nfs/dbraw/zinc/09/97/81/554099781.db2.gz YZNPRQUYVNUHDA-RYRKJORJSA-N 1 2 353.413 2.471 20 30 FEEDLO CC(C)Cn1ccnc1CNC(=O)N[C@@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000330338931 554107784 /nfs/dbraw/zinc/10/77/84/554107784.db2.gz WBCATXXTGQQBJC-ZBFHGGJFSA-N 1 2 360.462 2.197 20 30 FEEDLO CCN(C[C@@H](C)C#N)S(=O)(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000330376954 554112800 /nfs/dbraw/zinc/11/28/00/554112800.db2.gz PNTOHKPJJZINOV-GJZGRUSLSA-N 1 2 370.544 2.153 20 30 FEEDLO CC(=O)Nc1ccc(F)c(NC(=O)NCC[N@@H+]2CCOCC2(C)C)c1 ZINC000330515575 554132258 /nfs/dbraw/zinc/13/22/58/554132258.db2.gz MDRJWWZQDBGGPL-UHFFFAOYSA-N 1 2 352.410 2.221 20 30 FEEDLO CC(=O)Nc1ccc(F)c(NC(=O)NCC[N@H+]2CCOCC2(C)C)c1 ZINC000330515575 554132259 /nfs/dbraw/zinc/13/22/59/554132259.db2.gz MDRJWWZQDBGGPL-UHFFFAOYSA-N 1 2 352.410 2.221 20 30 FEEDLO CC(C)N(C[C@H](C)O)C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000330941027 554191831 /nfs/dbraw/zinc/19/18/31/554191831.db2.gz CFHRTYVLJGPAJD-HRCADAONSA-N 1 2 364.490 2.200 20 30 FEEDLO CCNC(=O)NC(=O)C[N@H+]1[C@H](C(=O)OC(C)(C)C)C[C@@H]2CCCC[C@@H]21 ZINC000331120353 554216790 /nfs/dbraw/zinc/21/67/90/554216790.db2.gz OGUPGRDUOSVRDA-IHRRRGAJSA-N 1 2 353.463 2.011 20 30 FEEDLO CCNC(=O)NC(=O)C[N@@H+]1[C@H](C(=O)OC(C)(C)C)C[C@@H]2CCCC[C@@H]21 ZINC000331120353 554216795 /nfs/dbraw/zinc/21/67/95/554216795.db2.gz OGUPGRDUOSVRDA-IHRRRGAJSA-N 1 2 353.463 2.011 20 30 FEEDLO C[C@@H](C(=O)NCC1CCCCC1)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000331463087 554269158 /nfs/dbraw/zinc/26/91/58/554269158.db2.gz ZLIFMJGMRCCDJH-INIZCTEOSA-N 1 2 355.486 2.160 20 30 FEEDLO CC[C@@H]1C(=O)NCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000331951270 554351100 /nfs/dbraw/zinc/35/11/00/554351100.db2.gz OFOMMNBKPRJFOR-SWLSCSKDSA-N 1 2 374.510 2.284 20 30 FEEDLO CC[C@@H]1C(=O)NCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000331951270 554351102 /nfs/dbraw/zinc/35/11/02/554351102.db2.gz OFOMMNBKPRJFOR-SWLSCSKDSA-N 1 2 374.510 2.284 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000331973843 554355685 /nfs/dbraw/zinc/35/56/85/554355685.db2.gz UUJYNCMJCJBPNF-UXHICEINSA-N 1 2 368.481 2.367 20 30 FEEDLO Cc1nc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)[nH+]c2)ccc1C#N ZINC000332087642 554377445 /nfs/dbraw/zinc/37/74/45/554377445.db2.gz SOBXIPNGDIESQR-ZIAGYGMSSA-N 1 2 365.437 2.200 20 30 FEEDLO CC(C)[C@H]1CCC[C@@H](NC(=O)C(=O)N2CCC(C#N)([NH+](C)C)CC2)CC1 ZINC000332296643 554419682 /nfs/dbraw/zinc/41/96/82/554419682.db2.gz KDWKXFFOFUVQML-DLBZAZTESA-N 1 2 362.518 2.154 20 30 FEEDLO C[NH+](C)C1(C#N)CCN(C(=O)Nc2cc3c(cc2F)CCC(=O)N3)CC1 ZINC000332605788 554481325 /nfs/dbraw/zinc/48/13/25/554481325.db2.gz OLZAZMDLUUACEW-UHFFFAOYSA-N 1 2 359.405 2.162 20 30 FEEDLO C=CCSc1ccccc1NC(=O)CN1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000510237618 561829522 /nfs/dbraw/zinc/82/95/22/561829522.db2.gz BIIWSJFLGUSWIP-UHFFFAOYSA-N 1 2 371.510 2.444 20 30 FEEDLO Cn1cc(C#N)c(=NC(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)[nH]1 ZINC000610528148 554523395 /nfs/dbraw/zinc/52/33/95/554523395.db2.gz QUCZDEPYAFTAOZ-UHFFFAOYSA-N 1 2 353.430 2.389 20 30 FEEDLO N#Cc1ccc(N2CCCN(C(=O)Cc3cn4ccccc4[nH+]3)CC2)cc1 ZINC000363694375 555166006 /nfs/dbraw/zinc/16/60/06/555166006.db2.gz FHULZWYXIVRNDF-UHFFFAOYSA-N 1 2 359.433 2.487 20 30 FEEDLO COc1cc(C#N)ccc1OCCCC(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000363722696 555171920 /nfs/dbraw/zinc/17/19/20/555171920.db2.gz XLOBLXGZFZPZAM-UHFFFAOYSA-N 1 2 354.410 2.273 20 30 FEEDLO Cc1ccnc(C2CC[NH+](CCS(=O)(=O)c3ccc(C#N)cc3)CC2)n1 ZINC000363791057 555187131 /nfs/dbraw/zinc/18/71/31/555187131.db2.gz CBDIWRNIFCQALO-UHFFFAOYSA-N 1 2 370.478 2.310 20 30 FEEDLO C=CC[N@@H+](C[C@H](C)CS(C)(=O)=O)[C@H]1CCN(Cc2ccccc2)C1 ZINC000363946227 555219537 /nfs/dbraw/zinc/21/95/37/555219537.db2.gz BZPQQWBUKPUWKK-HKUYNNGSSA-N 1 2 350.528 2.430 20 30 FEEDLO C=CC[N@H+](C[C@H](C)CS(C)(=O)=O)[C@H]1CCN(Cc2ccccc2)C1 ZINC000363946227 555219539 /nfs/dbraw/zinc/21/95/39/555219539.db2.gz BZPQQWBUKPUWKK-HKUYNNGSSA-N 1 2 350.528 2.430 20 30 FEEDLO C=C(C)C[N@H+](CC(=O)N1CCO[C@@H]2CCCC[C@@H]21)Cc1ccc(CO)o1 ZINC000512203003 561895859 /nfs/dbraw/zinc/89/58/59/561895859.db2.gz LWOOPTFQXZUFMZ-RBUKOAKNSA-N 1 2 362.470 2.320 20 30 FEEDLO C=C(C)C[N@@H+](CC(=O)N1CCO[C@@H]2CCCC[C@@H]21)Cc1ccc(CO)o1 ZINC000512203003 561895860 /nfs/dbraw/zinc/89/58/60/561895860.db2.gz LWOOPTFQXZUFMZ-RBUKOAKNSA-N 1 2 362.470 2.320 20 30 FEEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)N1CC(Oc3ccc(C#N)cc3)C1)CCC2 ZINC000364042455 555239018 /nfs/dbraw/zinc/23/90/18/555239018.db2.gz FBFHUWMFPWORGU-MRXNPFEDSA-N 1 2 365.437 2.413 20 30 FEEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@H]1CCN(C2CCOCC2)C1=O ZINC000364172111 555263050 /nfs/dbraw/zinc/26/30/50/555263050.db2.gz XDHPXGLUPQFREJ-SFHVURJKSA-N 1 2 359.426 2.363 20 30 FEEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H]1CCN(C2CCOCC2)C1=O ZINC000364172111 555263052 /nfs/dbraw/zinc/26/30/52/555263052.db2.gz XDHPXGLUPQFREJ-SFHVURJKSA-N 1 2 359.426 2.363 20 30 FEEDLO N#Cc1ccc(C(=O)NC2CC[NH+](Cc3nc4ccccc4[nH]3)CC2)cn1 ZINC000365262314 555526512 /nfs/dbraw/zinc/52/65/12/555526512.db2.gz AEDNUXRTACCMTD-UHFFFAOYSA-N 1 2 360.421 2.224 20 30 FEEDLO CC(C)Cn1cc[nH+]c1CNC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000366152002 555766170 /nfs/dbraw/zinc/76/61/70/555766170.db2.gz JWCKKOBUKIEUPS-INIZCTEOSA-N 1 2 368.441 2.169 20 30 FEEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](CC(=O)Nc3cccnc3Cl)C2)nc1 ZINC000366397189 555832876 /nfs/dbraw/zinc/83/28/76/555832876.db2.gz BABLEUYXKFYCFM-CYBMUJFWSA-N 1 2 357.801 2.093 20 30 FEEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](CC(=O)Nc3cccnc3Cl)C2)nc1 ZINC000366397189 555832879 /nfs/dbraw/zinc/83/28/79/555832879.db2.gz BABLEUYXKFYCFM-CYBMUJFWSA-N 1 2 357.801 2.093 20 30 FEEDLO C=CCCCN(C)C(=O)C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000514634950 561970969 /nfs/dbraw/zinc/97/09/69/561970969.db2.gz ONKWOVVXDPMFEU-UHFFFAOYSA-N 1 2 363.889 2.239 20 30 FEEDLO C=CCCCN(C)C(=O)C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000514634950 561970971 /nfs/dbraw/zinc/97/09/71/561970971.db2.gz ONKWOVVXDPMFEU-UHFFFAOYSA-N 1 2 363.889 2.239 20 30 FEEDLO C#CCCS(=O)(=O)N[C@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000367455460 556055270 /nfs/dbraw/zinc/05/52/70/556055270.db2.gz GTMIIDSFUPWWCD-DLBZAZTESA-N 1 2 356.438 2.431 20 30 FEEDLO C#CCCS(=O)(=O)N[C@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000367455460 556055273 /nfs/dbraw/zinc/05/52/73/556055273.db2.gz GTMIIDSFUPWWCD-DLBZAZTESA-N 1 2 356.438 2.431 20 30 FEEDLO C[C@H]1C[C@@H](N2CCOCC2)C[N@@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000367602530 556094891 /nfs/dbraw/zinc/09/48/91/556094891.db2.gz UHTKDMBSTSWYCM-JKSUJKDBSA-N 1 2 374.510 2.036 20 30 FEEDLO C[C@H]1C[C@@H](N2CCOCC2)C[N@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000367602530 556094893 /nfs/dbraw/zinc/09/48/93/556094893.db2.gz UHTKDMBSTSWYCM-JKSUJKDBSA-N 1 2 374.510 2.036 20 30 FEEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1CC(=O)Nc1ccccc1SCC#N ZINC000367602530 556094897 /nfs/dbraw/zinc/09/48/97/556094897.db2.gz UHTKDMBSTSWYCM-JKSUJKDBSA-N 1 2 374.510 2.036 20 30 FEEDLO N#Cc1ccc(N2CC[C@@H]([NH+]3CCN(c4ccc(F)cn4)CC3)C2=O)cc1 ZINC000367658608 556106776 /nfs/dbraw/zinc/10/67/76/556106776.db2.gz KCTWLDHWSXRLLT-GOSISDBHSA-N 1 2 365.412 2.020 20 30 FEEDLO C=CCC[C@@H](NC(=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000515245717 562002476 /nfs/dbraw/zinc/00/24/76/562002476.db2.gz ZTNRTSXLMMQQNT-IAGOWNOFSA-N 1 2 352.438 2.138 20 30 FEEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+]1CCOCC2(CCC2)C1 ZINC000368705881 556392176 /nfs/dbraw/zinc/39/21/76/556392176.db2.gz AJGCXTCVWXLJMZ-UHFFFAOYSA-N 1 2 365.437 2.185 20 30 FEEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+]1CCOCC2(CCC2)C1 ZINC000368705881 556392178 /nfs/dbraw/zinc/39/21/78/556392178.db2.gz AJGCXTCVWXLJMZ-UHFFFAOYSA-N 1 2 365.437 2.185 20 30 FEEDLO Cc1noc(C)c1CO[C@@H]1CC[N@H+](CC(=O)NC2(C#N)CCCCC2)C1 ZINC000368866649 556432920 /nfs/dbraw/zinc/43/29/20/556432920.db2.gz HQKBKOYQDFDMGK-MRXNPFEDSA-N 1 2 360.458 2.225 20 30 FEEDLO Cc1noc(C)c1CO[C@@H]1CC[N@@H+](CC(=O)NC2(C#N)CCCCC2)C1 ZINC000368866649 556432922 /nfs/dbraw/zinc/43/29/22/556432922.db2.gz HQKBKOYQDFDMGK-MRXNPFEDSA-N 1 2 360.458 2.225 20 30 FEEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000368974716 556464744 /nfs/dbraw/zinc/46/47/44/556464744.db2.gz OLZNGXFICHZVLD-DEYYWGMASA-N 1 2 359.495 2.489 20 30 FEEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000368974716 556464745 /nfs/dbraw/zinc/46/47/45/556464745.db2.gz OLZNGXFICHZVLD-DEYYWGMASA-N 1 2 359.495 2.489 20 30 FEEDLO N#CC1(c2ccccn2)CC[NH+]([C@H]2CC(=O)N(Cc3ccccc3)C2=O)CC1 ZINC000369216604 556538134 /nfs/dbraw/zinc/53/81/34/556538134.db2.gz VCYOYTKCSUCDMF-SFHVURJKSA-N 1 2 374.444 2.266 20 30 FEEDLO Cc1nc(C[N@@H+]2CCCN(C(=O)c3ccc(C#N)c(C)n3)CC2)oc1C ZINC000369239341 556545422 /nfs/dbraw/zinc/54/54/22/556545422.db2.gz GDACPEZQBXZQEN-UHFFFAOYSA-N 1 2 353.426 2.215 20 30 FEEDLO Cc1nc(C[N@H+]2CCCN(C(=O)c3ccc(C#N)c(C)n3)CC2)oc1C ZINC000369239341 556545425 /nfs/dbraw/zinc/54/54/25/556545425.db2.gz GDACPEZQBXZQEN-UHFFFAOYSA-N 1 2 353.426 2.215 20 30 FEEDLO Cc1cccc([C@H](CNC(=O)NCC2(C#N)CCC2)[NH+]2CCOCC2)c1 ZINC000516264363 562037929 /nfs/dbraw/zinc/03/79/29/562037929.db2.gz HBNTZLAWKQPCAZ-SFHVURJKSA-N 1 2 356.470 2.361 20 30 FEEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+](C)[C@H]2CCCCNC2=O)c1C ZINC000369831633 556707102 /nfs/dbraw/zinc/70/71/02/556707102.db2.gz VIDYHMWXFAULHE-SFHVURJKSA-N 1 2 356.470 2.151 20 30 FEEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+](C)[C@H]2CCCCNC2=O)c1C ZINC000369831633 556707105 /nfs/dbraw/zinc/70/71/05/556707105.db2.gz VIDYHMWXFAULHE-SFHVURJKSA-N 1 2 356.470 2.151 20 30 FEEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@@H](c1nc(C)no1)C1CCOCC1 ZINC000370171542 556801491 /nfs/dbraw/zinc/80/14/91/556801491.db2.gz HPZOMPFXPHDBFP-XJKSGUPXSA-N 1 2 350.463 2.248 20 30 FEEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@@H](N2CCCCC2=O)C1 ZINC000370905582 557010176 /nfs/dbraw/zinc/01/01/76/557010176.db2.gz QGJJTQMIVPDEGB-MAUKXSAKSA-N 1 2 354.454 2.362 20 30 FEEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@@H](N2CCCCC2=O)C1 ZINC000370905582 557010179 /nfs/dbraw/zinc/01/01/79/557010179.db2.gz QGJJTQMIVPDEGB-MAUKXSAKSA-N 1 2 354.454 2.362 20 30 FEEDLO CN(C1CCN(c2cccc[nH+]2)CC1)S(=O)(=O)c1ccc(F)cc1C#N ZINC000371017317 557046292 /nfs/dbraw/zinc/04/62/92/557046292.db2.gz RNZYURAJHOIXJS-UHFFFAOYSA-N 1 2 374.441 2.382 20 30 FEEDLO C=C[C@@H](CC(=O)NC[C@]1([NH+]2CCOCC2)CCCOC1)c1ccccc1 ZINC000371301188 557137206 /nfs/dbraw/zinc/13/72/06/557137206.db2.gz SQKISGFEDWVJTO-GHTZIAJQSA-N 1 2 358.482 2.344 20 30 FEEDLO C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)C1 ZINC000371323897 557146612 /nfs/dbraw/zinc/14/66/12/557146612.db2.gz RXAWPVCKGYOMBP-QGZVFWFLSA-N 1 2 368.824 2.453 20 30 FEEDLO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)C1 ZINC000371323897 557146616 /nfs/dbraw/zinc/14/66/16/557146616.db2.gz RXAWPVCKGYOMBP-QGZVFWFLSA-N 1 2 368.824 2.453 20 30 FEEDLO Cc1oc(NC(=O)C[N@H+]2CCC[C@@H]2C[C@H](O)c2cnn(C)c2)c(C#N)c1C ZINC000371334236 557149731 /nfs/dbraw/zinc/14/97/31/557149731.db2.gz DQSKAAZPICKPOI-WBVHZDCISA-N 1 2 371.441 2.028 20 30 FEEDLO Cc1oc(NC(=O)C[N@@H+]2CCC[C@@H]2C[C@H](O)c2cnn(C)c2)c(C#N)c1C ZINC000371334236 557149733 /nfs/dbraw/zinc/14/97/33/557149733.db2.gz DQSKAAZPICKPOI-WBVHZDCISA-N 1 2 371.441 2.028 20 30 FEEDLO C[C@H]([C@H](C)NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)[NH+]1CCOCC1 ZINC000371334363 557150090 /nfs/dbraw/zinc/15/00/90/557150090.db2.gz FIXZAYPNOZLDIW-DLBZAZTESA-N 1 2 368.481 2.466 20 30 FEEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372273399 557427428 /nfs/dbraw/zinc/42/74/28/557427428.db2.gz MFBOWXHYXJVYGV-BBRMVZONSA-N 1 2 368.397 2.327 20 30 FEEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372273399 557427434 /nfs/dbraw/zinc/42/74/34/557427434.db2.gz MFBOWXHYXJVYGV-BBRMVZONSA-N 1 2 368.397 2.327 20 30 FEEDLO Cc1nc(N[C@H]2CCCN(Cc3[nH+]ccn3C)C2=O)c(Cl)cc1C#N ZINC000519574691 562135344 /nfs/dbraw/zinc/13/53/44/562135344.db2.gz QNNSGYKUZWFQPI-AWEZNQCLSA-N 1 2 358.833 2.252 20 30 FEEDLO COC(=O)c1cn([C@@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3Cl)C2)nn1 ZINC000373012351 557609848 /nfs/dbraw/zinc/60/98/48/557609848.db2.gz IDEBLCHLQIAFME-LLVKDONJSA-N 1 2 363.780 2.176 20 30 FEEDLO COC(=O)c1cn([C@@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3Cl)C2)nn1 ZINC000373012351 557609849 /nfs/dbraw/zinc/60/98/49/557609849.db2.gz IDEBLCHLQIAFME-LLVKDONJSA-N 1 2 363.780 2.176 20 30 FEEDLO Cc1c(I)cccc1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000520819941 562164563 /nfs/dbraw/zinc/16/45/63/562164563.db2.gz RSPQEBCTASSSQS-CQSZACIVSA-N 1 2 371.222 2.173 20 30 FEEDLO N#CCOc1cccc(CC(=O)N2CC[NH2+][C@@H](c3cccc(F)c3)C2)c1 ZINC000374311546 557863507 /nfs/dbraw/zinc/86/35/07/557863507.db2.gz CDLZINKWURVGFJ-LJQANCHMSA-N 1 2 353.397 2.444 20 30 FEEDLO Cc1ccc2[nH+]c(CN3C[C@H](C#N)[C@]4(C3)c3ccccc3NC4=O)cn2c1 ZINC000374347199 557869434 /nfs/dbraw/zinc/86/94/34/557869434.db2.gz BNVRKKUMSAHHJF-YCRPNKLZSA-N 1 2 357.417 2.488 20 30 FEEDLO N#CC1(c2ccccn2)CCN(C(=O)NCc2ccn3cc[nH+]c3c2)CC1 ZINC000374396376 557878356 /nfs/dbraw/zinc/87/83/56/557878356.db2.gz SQLISWUCRGGWRY-UHFFFAOYSA-N 1 2 360.421 2.496 20 30 FEEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@H](c2nc(N(C)C)no2)C1 ZINC000374566333 557900558 /nfs/dbraw/zinc/90/05/58/557900558.db2.gz OGCRTJUEWPIIDJ-HIFRSBDPSA-N 1 2 368.441 2.214 20 30 FEEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@H](c2nc(N(C)C)no2)C1 ZINC000374566333 557900560 /nfs/dbraw/zinc/90/05/60/557900560.db2.gz OGCRTJUEWPIIDJ-HIFRSBDPSA-N 1 2 368.441 2.214 20 30 FEEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](c2nc(N(C)C)no2)C1 ZINC000374626954 557908722 /nfs/dbraw/zinc/90/87/22/557908722.db2.gz NPROELLOTHWZFQ-JKSUJKDBSA-N 1 2 369.425 2.101 20 30 FEEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](c2nc(N(C)C)no2)C1 ZINC000374626954 557908724 /nfs/dbraw/zinc/90/87/24/557908724.db2.gz NPROELLOTHWZFQ-JKSUJKDBSA-N 1 2 369.425 2.101 20 30 FEEDLO Cc1noc(C2(C)CC[NH+]([C@H]3CCN(c4sccc4C#N)C3=O)CC2)n1 ZINC000374755826 557926146 /nfs/dbraw/zinc/92/61/46/557926146.db2.gz UKYJRERLQJQBOM-AWEZNQCLSA-N 1 2 371.466 2.470 20 30 FEEDLO C#Cc1cc(F)c(NC(=O)C(=O)N(C)Cc2cn3c([nH+]2)CCCC3)c(F)c1 ZINC000374980547 557959076 /nfs/dbraw/zinc/95/90/76/557959076.db2.gz MACZBYXXHWUAHH-UHFFFAOYSA-N 1 2 372.375 2.076 20 30 FEEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375402944 558021484 /nfs/dbraw/zinc/02/14/84/558021484.db2.gz KTGMHCNVROCGFU-DZGCQCFKSA-N 1 2 368.397 2.327 20 30 FEEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375402944 558021486 /nfs/dbraw/zinc/02/14/86/558021486.db2.gz KTGMHCNVROCGFU-DZGCQCFKSA-N 1 2 368.397 2.327 20 30 FEEDLO COc1cc(C#N)ccc1OCC(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000376454223 558175207 /nfs/dbraw/zinc/17/52/07/558175207.db2.gz KCFCBDUVHUPQDC-UHFFFAOYSA-N 1 2 354.410 2.137 20 30 FEEDLO Cn1cc[nH+]c1[C@H]1CCN(S(=O)(=O)c2ccc(C#N)cc2Cl)C1 ZINC000376841264 558228650 /nfs/dbraw/zinc/22/86/50/558228650.db2.gz GZTIOAQNYRIGAF-LBPRGKRZSA-N 1 2 350.831 2.123 20 30 FEEDLO C#CCCS(=O)(=O)N[C@@H]1CC[N@H+](C2CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000377297073 558309093 /nfs/dbraw/zinc/30/90/93/558309093.db2.gz PORIEOIALDMAAJ-IAGOWNOFSA-N 1 2 354.422 2.185 20 30 FEEDLO C#CCCS(=O)(=O)N[C@@H]1CC[N@@H+](C2CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000377297073 558309095 /nfs/dbraw/zinc/30/90/95/558309095.db2.gz PORIEOIALDMAAJ-IAGOWNOFSA-N 1 2 354.422 2.185 20 30 FEEDLO C#CC[C@@]1(C(=O)N2CCn3cc(C)[nH+]c3C2)CCCN1C(=O)OC(C)(C)C ZINC000377900920 558444671 /nfs/dbraw/zinc/44/46/71/558444671.db2.gz FFHMDRLJRYIAEV-FQEVSTJZSA-N 1 2 372.469 2.327 20 30 FEEDLO CC(C)(C#N)c1ccc(NC(=O)C(=O)NC[C@H]2CCCn3cc[nH+]c32)cc1 ZINC000378228549 558506418 /nfs/dbraw/zinc/50/64/18/558506418.db2.gz NOFSAHSBKRVIMQ-CQSZACIVSA-N 1 2 365.437 2.317 20 30 FEEDLO CN(C(=O)[C@@H]1CC12CC[NH+](CC(=O)Nc1sccc1C#N)CC2)C1CC1 ZINC000378467732 558564222 /nfs/dbraw/zinc/56/42/22/558564222.db2.gz VZMGFOQVZAQXNU-HNNXBMFYSA-N 1 2 372.494 2.281 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)NCCc2cn3c([nH+]2)CCCC3)c(Cl)c1 ZINC000378592739 558590851 /nfs/dbraw/zinc/59/08/51/558590851.db2.gz CZLWPZKIDSEBEE-UHFFFAOYSA-N 1 2 364.858 2.265 20 30 FEEDLO C[C@H]1C[N@H+](C)[C@@H](C)CN1S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000409510749 558699423 /nfs/dbraw/zinc/69/94/23/558699423.db2.gz UEDKJHXPUBCBON-QWRGUYRKSA-N 1 2 361.389 2.290 20 30 FEEDLO C[C@H]1C[N@@H+](C)[C@@H](C)CN1S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000409510749 558699425 /nfs/dbraw/zinc/69/94/25/558699425.db2.gz UEDKJHXPUBCBON-QWRGUYRKSA-N 1 2 361.389 2.290 20 30 FEEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H](C)C(=O)NC(=O)NCC(C)C ZINC000411191189 558851197 /nfs/dbraw/zinc/85/11/97/558851197.db2.gz IZBJAIPITIIANJ-AWEZNQCLSA-N 1 2 362.430 2.453 20 30 FEEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H](C)C(=O)NC(=O)NCC(C)C ZINC000411191189 558851199 /nfs/dbraw/zinc/85/11/99/558851199.db2.gz IZBJAIPITIIANJ-AWEZNQCLSA-N 1 2 362.430 2.453 20 30 FEEDLO CCOc1cc2c(cc1OCC)C[N@H+](CC(=O)NC1(C#N)CCC1)CC2 ZINC000525885791 562258516 /nfs/dbraw/zinc/25/85/16/562258516.db2.gz YIZLOCJLAZPMPP-UHFFFAOYSA-N 1 2 357.454 2.405 20 30 FEEDLO CCOc1cc2c(cc1OCC)C[N@@H+](CC(=O)NC1(C#N)CCC1)CC2 ZINC000525885791 562258517 /nfs/dbraw/zinc/25/85/17/562258517.db2.gz YIZLOCJLAZPMPP-UHFFFAOYSA-N 1 2 357.454 2.405 20 30 FEEDLO COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)C[C@H](CC#N)c2ccccc2)C1 ZINC000412376703 559032044 /nfs/dbraw/zinc/03/20/44/559032044.db2.gz XOJKMZJLFJYBIL-AEFFLSMTSA-N 1 2 357.454 2.075 20 30 FEEDLO COC(=O)C[N@H+]1CCC[C@H](CNC(=O)C[C@H](CC#N)c2ccccc2)C1 ZINC000412376703 559032046 /nfs/dbraw/zinc/03/20/46/559032046.db2.gz XOJKMZJLFJYBIL-AEFFLSMTSA-N 1 2 357.454 2.075 20 30 FEEDLO Cn1cc[nH+]c1CN1CCN(c2cc(C(F)(F)F)cnc2C#N)CC1 ZINC000413123645 559080613 /nfs/dbraw/zinc/08/06/13/559080613.db2.gz CSJBAOHLNLBSSS-UHFFFAOYSA-N 1 2 350.348 2.028 20 30 FEEDLO C=CCn1c(SC[C@H](O)C[N@H+](C)CCC#N)nnc1-c1ccccc1 ZINC000414100314 559149324 /nfs/dbraw/zinc/14/93/24/559149324.db2.gz RPUUWFBZYODJNB-MRXNPFEDSA-N 1 2 357.483 2.430 20 30 FEEDLO C=CCn1c(SC[C@H](O)C[N@@H+](C)CCC#N)nnc1-c1ccccc1 ZINC000414100314 559149325 /nfs/dbraw/zinc/14/93/25/559149325.db2.gz RPUUWFBZYODJNB-MRXNPFEDSA-N 1 2 357.483 2.430 20 30 FEEDLO C[N@H+](CCC#N)C[C@H](O)COc1ccc(-c2noc([C@H]3CCCO3)n2)cc1 ZINC000414148018 559150834 /nfs/dbraw/zinc/15/08/34/559150834.db2.gz MZOBSDQDWXYKHF-DOTOQJQBSA-N 1 2 372.425 2.173 20 30 FEEDLO C[N@@H+](CCC#N)C[C@H](O)COc1ccc(-c2noc([C@H]3CCCO3)n2)cc1 ZINC000414148018 559150836 /nfs/dbraw/zinc/15/08/36/559150836.db2.gz MZOBSDQDWXYKHF-DOTOQJQBSA-N 1 2 372.425 2.173 20 30 FEEDLO C[C@H](NC(=O)c1ccc(C#N)c(O)c1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000527196048 562279719 /nfs/dbraw/zinc/27/97/19/562279719.db2.gz AOJUHVUINKMLBU-MGPUTAFESA-N 1 2 365.433 2.283 20 30 FEEDLO C[C@H](NC(=O)c1ccc(C#N)c(O)c1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000527196048 562279720 /nfs/dbraw/zinc/27/97/20/562279720.db2.gz AOJUHVUINKMLBU-MGPUTAFESA-N 1 2 365.433 2.283 20 30 FEEDLO CC[N@@H+]1CC[C@H](NS(=O)(=O)[C@@H](C)C#N)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000416460090 559314513 /nfs/dbraw/zinc/31/45/13/559314513.db2.gz UOCBMMIZCDMOQW-DYQSUWPFSA-N 1 2 361.389 2.071 20 30 FEEDLO CC[N@H+]1CC[C@H](NS(=O)(=O)[C@@H](C)C#N)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000416460090 559314514 /nfs/dbraw/zinc/31/45/14/559314514.db2.gz UOCBMMIZCDMOQW-DYQSUWPFSA-N 1 2 361.389 2.071 20 30 FEEDLO CO[C@@H](CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)CC(C)C ZINC000416749220 559331120 /nfs/dbraw/zinc/33/11/20/559331120.db2.gz OEVKJSCPMWUCSR-LJQANCHMSA-N 1 2 358.486 2.447 20 30 FEEDLO C[C@H](c1nc(-c2ccccc2)no1)[NH+]1CCN(c2cncc(C#N)n2)CC1 ZINC000420583509 559492914 /nfs/dbraw/zinc/49/29/14/559492914.db2.gz JAZYATMTOOLQNE-CQSZACIVSA-N 1 2 361.409 2.281 20 30 FEEDLO COc1ccc2c(c1)OC(C)(C)C[N@@H+](CC(=O)N(CCC#N)CCC#N)C2 ZINC000421035704 559521163 /nfs/dbraw/zinc/52/11/63/559521163.db2.gz ICYQZAYCYQYGEH-UHFFFAOYSA-N 1 2 370.453 2.324 20 30 FEEDLO COc1ccc2c(c1)OC(C)(C)C[N@H+](CC(=O)N(CCC#N)CCC#N)C2 ZINC000421035704 559521164 /nfs/dbraw/zinc/52/11/64/559521164.db2.gz ICYQZAYCYQYGEH-UHFFFAOYSA-N 1 2 370.453 2.324 20 30 FEEDLO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)NCc1[nH+]ccn1CC(C)C ZINC000422346444 559580165 /nfs/dbraw/zinc/58/01/65/559580165.db2.gz BHIAIZOTBNITPC-GOSISDBHSA-N 1 2 368.481 2.459 20 30 FEEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+](C)[C@H]1CCCN(c2ccccc2)C1=O ZINC000527298320 562284346 /nfs/dbraw/zinc/28/43/46/562284346.db2.gz ASOVSZGKWMNKMK-WBVHZDCISA-N 1 2 354.454 2.065 20 30 FEEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)[C@H]1CCCN(c2ccccc2)C1=O ZINC000527298320 562284347 /nfs/dbraw/zinc/28/43/47/562284347.db2.gz ASOVSZGKWMNKMK-WBVHZDCISA-N 1 2 354.454 2.065 20 30 FEEDLO C=CCn1cc(CNC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)nn1 ZINC000424110232 559655047 /nfs/dbraw/zinc/65/50/47/559655047.db2.gz XSSZSHJXEHAQCT-UHFFFAOYSA-N 1 2 361.475 2.228 20 30 FEEDLO C=CCn1cc(CN[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)nn1 ZINC000424297280 559661121 /nfs/dbraw/zinc/66/11/21/559661121.db2.gz QBWRZENOVDMRKK-ROUUACIJSA-N 1 2 361.877 2.279 20 30 FEEDLO C=CCn1cc(CN[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)nn1 ZINC000424297280 559661122 /nfs/dbraw/zinc/66/11/22/559661122.db2.gz QBWRZENOVDMRKK-ROUUACIJSA-N 1 2 361.877 2.279 20 30 FEEDLO C=CCCn1cc(C(=O)NCc2[nH+]ccn2CCc2ccccc2)nn1 ZINC000424700286 559673939 /nfs/dbraw/zinc/67/39/39/559673939.db2.gz CRSPZGKTKPRXKX-UHFFFAOYSA-N 1 2 350.426 2.223 20 30 FEEDLO C=CCCn1cc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)nn1 ZINC000424750876 559675551 /nfs/dbraw/zinc/67/55/51/559675551.db2.gz TYVRPQFAZSJGIC-NVXWUHKLSA-N 1 2 361.396 2.308 20 30 FEEDLO C=CCCn1cc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)nn1 ZINC000424750876 559675552 /nfs/dbraw/zinc/67/55/52/559675552.db2.gz TYVRPQFAZSJGIC-NVXWUHKLSA-N 1 2 361.396 2.308 20 30 FEEDLO CC[C@@](C)(C(=O)OC)[N@@H+](CC(=O)NCc1ccc(C#N)cc1)CC1CC1 ZINC000425513627 559707053 /nfs/dbraw/zinc/70/70/53/559707053.db2.gz PEZJFEGNZNVLFT-FQEVSTJZSA-N 1 2 357.454 2.228 20 30 FEEDLO CC[C@@](C)(C(=O)OC)[N@H+](CC(=O)NCc1ccc(C#N)cc1)CC1CC1 ZINC000425513627 559707054 /nfs/dbraw/zinc/70/70/54/559707054.db2.gz PEZJFEGNZNVLFT-FQEVSTJZSA-N 1 2 357.454 2.228 20 30 FEEDLO C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C[C@@H](O)C[NH+]1CCOCC1 ZINC000425529849 559708166 /nfs/dbraw/zinc/70/81/66/559708166.db2.gz CTKCNXMLELOHLC-PBHICJAKSA-N 1 2 371.403 2.113 20 30 FEEDLO C=CCC[C@H](C(=O)N1CC[NH+](CCn2cncn2)CC1)c1ccccc1 ZINC000427456069 559755816 /nfs/dbraw/zinc/75/58/16/559755816.db2.gz FMFZZZURCIGRTD-IBGZPJMESA-N 1 2 353.470 2.172 20 30 FEEDLO C[C@H](c1ccccc1)[C@@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)C(N)=O ZINC000428858155 559784877 /nfs/dbraw/zinc/78/48/77/559784877.db2.gz VQBMHOQGMILQEY-FZKQIMNGSA-N 1 2 361.405 2.355 20 30 FEEDLO CN(CC(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1)CC(C)(C)C#N ZINC000433305777 559876613 /nfs/dbraw/zinc/87/66/13/559876613.db2.gz OTSREJOQNJLSIG-UHFFFAOYSA-N 1 2 362.905 2.466 20 30 FEEDLO C[NH+](C)CCOc1ccc(NS(=O)(=O)c2ccc(C#N)s2)cc1 ZINC000435501935 559924340 /nfs/dbraw/zinc/92/43/40/559924340.db2.gz OKEPSHJWPLUDJR-UHFFFAOYSA-N 1 2 351.453 2.361 20 30 FEEDLO CSc1c(F)cccc1C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000435683802 559927963 /nfs/dbraw/zinc/92/79/63/559927963.db2.gz SDKUWRDSZAJSKM-UHFFFAOYSA-N 1 2 351.447 2.236 20 30 FEEDLO Cn1cc[nH+]c1CN1CCN(Cc2ccc(C#N)cc2OC(F)F)CC1 ZINC000437158039 559961071 /nfs/dbraw/zinc/96/10/71/559961071.db2.gz ZCLQIJXBCYRLMO-UHFFFAOYSA-N 1 2 361.396 2.211 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000438001408 559972888 /nfs/dbraw/zinc/97/28/88/559972888.db2.gz ITGKGFXLGRSLNI-QUCCMNQESA-N 1 2 373.497 2.374 20 30 FEEDLO CCOC(=O)C[N@@H+]1CCCN(c2cccc(Br)c2C#N)CC1 ZINC000439953393 560002280 /nfs/dbraw/zinc/00/22/80/560002280.db2.gz IAWVQHGARIHRPH-UHFFFAOYSA-N 1 2 366.259 2.396 20 30 FEEDLO CCOC(=O)C[N@H+]1CCCN(c2cccc(Br)c2C#N)CC1 ZINC000439953393 560002281 /nfs/dbraw/zinc/00/22/81/560002281.db2.gz IAWVQHGARIHRPH-UHFFFAOYSA-N 1 2 366.259 2.396 20 30 FEEDLO N#Cc1ccc(CS(=O)(=O)NCc2cc[nH+]c(N3CCCC3)c2)c(F)c1 ZINC000440051285 560003796 /nfs/dbraw/zinc/00/37/96/560003796.db2.gz LNQWMMGZBBYQON-UHFFFAOYSA-N 1 2 374.441 2.312 20 30 FEEDLO CO[C@H]1C[C@H](NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1(C)C ZINC000440242095 560007383 /nfs/dbraw/zinc/00/73/83/560007383.db2.gz MNGCBLOTRJNGLP-ROUUACIJSA-N 1 2 356.470 2.199 20 30 FEEDLO CC(C)(C)OC(=O)C[NH2+][C@@]1(C)CCN(c2c(C#N)nnc3ccccc32)C1 ZINC000440648881 560015360 /nfs/dbraw/zinc/01/53/60/560015360.db2.gz PFYCYQFRTVAYRE-FQEVSTJZSA-N 1 2 367.453 2.402 20 30 FEEDLO CC(C)NS(=O)(=O)[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000441055659 560022412 /nfs/dbraw/zinc/02/24/12/560022412.db2.gz CSLOYNAZBCYPTM-CQSZACIVSA-N 1 2 373.425 2.062 20 30 FEEDLO CC(C)NS(=O)(=O)[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000441055659 560022413 /nfs/dbraw/zinc/02/24/13/560022413.db2.gz CSLOYNAZBCYPTM-CQSZACIVSA-N 1 2 373.425 2.062 20 30 FEEDLO C=CCN1CC[C@@H](N2CC[N@@H+](Cc3ccccc3OCC)C[C@H]2C)C1=O ZINC000441382316 560030503 /nfs/dbraw/zinc/03/05/03/560030503.db2.gz TYUNCLUKLNQBIW-IEBWSBKVSA-N 1 2 357.498 2.378 20 30 FEEDLO C=CCN1CC[C@@H](N2CC[N@H+](Cc3ccccc3OCC)C[C@H]2C)C1=O ZINC000441382316 560030504 /nfs/dbraw/zinc/03/05/04/560030504.db2.gz TYUNCLUKLNQBIW-IEBWSBKVSA-N 1 2 357.498 2.378 20 30 FEEDLO C=CCN1CC[C@@H]([N@H+]2CCN(Cc3ccccc3OCC)C[C@H]2C)C1=O ZINC000441382316 560030506 /nfs/dbraw/zinc/03/05/06/560030506.db2.gz TYUNCLUKLNQBIW-IEBWSBKVSA-N 1 2 357.498 2.378 20 30 FEEDLO C=CCN1CC[C@@H]([N@@H+]2CCN(Cc3ccccc3OCC)C[C@H]2C)C1=O ZINC000441382316 560030508 /nfs/dbraw/zinc/03/05/08/560030508.db2.gz TYUNCLUKLNQBIW-IEBWSBKVSA-N 1 2 357.498 2.378 20 30 FEEDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)c3ccc(C#N)n3C)CC2)c1 ZINC000448908119 560206200 /nfs/dbraw/zinc/20/62/00/560206200.db2.gz ITXVAAOCCMUVMT-HNNXBMFYSA-N 1 2 352.438 2.424 20 30 FEEDLO N#Cc1cccc(N2CC[NH+](Cc3ccn(CC(F)(F)F)n3)CC2)n1 ZINC000450744663 560272038 /nfs/dbraw/zinc/27/20/38/560272038.db2.gz AGKVMGZNNGLVPQ-UHFFFAOYSA-N 1 2 350.348 2.034 20 30 FEEDLO Cn1c(C#N)ccc1C(=O)N1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000450872394 560276242 /nfs/dbraw/zinc/27/62/42/560276242.db2.gz BVUPMXJPGJEXQR-INIZCTEOSA-N 1 2 365.437 2.185 20 30 FEEDLO C=CCC1(C(=O)N2CC[C@@H]([N@H+](C)Cc3nccc(N)n3)C2)CCCCC1 ZINC000450924536 560278848 /nfs/dbraw/zinc/27/88/48/560278848.db2.gz NDIWJZQAFZQQNS-MRXNPFEDSA-N 1 2 357.502 2.618 20 30 FEEDLO C=CCC1(C(=O)N2CC[C@@H]([N@@H+](C)Cc3nccc(N)n3)C2)CCCCC1 ZINC000450924536 560278849 /nfs/dbraw/zinc/27/88/49/560278849.db2.gz NDIWJZQAFZQQNS-MRXNPFEDSA-N 1 2 357.502 2.618 20 30 FEEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CC[C@](O)(C(F)F)C1 ZINC000451428529 560306645 /nfs/dbraw/zinc/30/66/45/560306645.db2.gz KQPGZYDHKHKSSQ-JDNHERCYSA-N 1 2 355.410 2.137 20 30 FEEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CC[C@](O)(C(F)F)C1 ZINC000451428529 560306646 /nfs/dbraw/zinc/30/66/46/560306646.db2.gz KQPGZYDHKHKSSQ-JDNHERCYSA-N 1 2 355.410 2.137 20 30 FEEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@](O)(C(F)F)C2)cc1 ZINC000451441382 560307327 /nfs/dbraw/zinc/30/73/27/560307327.db2.gz ROPVAEUNBHWOHP-GOSISDBHSA-N 1 2 367.396 2.034 20 30 FEEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CC[C@](O)(C(F)F)C2)cc1 ZINC000451441382 560307328 /nfs/dbraw/zinc/30/73/28/560307328.db2.gz ROPVAEUNBHWOHP-GOSISDBHSA-N 1 2 367.396 2.034 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CC[C@](O)(C(F)F)C2)c1 ZINC000451441613 560307401 /nfs/dbraw/zinc/30/74/01/560307401.db2.gz SGECGKVPICJJKQ-GOSISDBHSA-N 1 2 351.397 2.252 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CC[C@](O)(C(F)F)C2)c1 ZINC000451441613 560307402 /nfs/dbraw/zinc/30/74/02/560307402.db2.gz SGECGKVPICJJKQ-GOSISDBHSA-N 1 2 351.397 2.252 20 30 FEEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000451918517 560337274 /nfs/dbraw/zinc/33/72/74/560337274.db2.gz YKBLAPDMHYOETC-HZMBPMFUSA-N 1 2 361.751 2.395 20 30 FEEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000451918517 560337275 /nfs/dbraw/zinc/33/72/75/560337275.db2.gz YKBLAPDMHYOETC-HZMBPMFUSA-N 1 2 361.751 2.395 20 30 FEEDLO COc1cc2c(cc1OC)C[N@H+](CC(=O)N[C@H]1CC[C@@H](CC#N)C1)CC2 ZINC000452564144 560367801 /nfs/dbraw/zinc/36/78/01/560367801.db2.gz YMNCNNCVMXYGJK-YOEHRIQHSA-N 1 2 357.454 2.260 20 30 FEEDLO COc1cc2c(cc1OC)C[N@@H+](CC(=O)N[C@H]1CC[C@@H](CC#N)C1)CC2 ZINC000452564144 560367802 /nfs/dbraw/zinc/36/78/02/560367802.db2.gz YMNCNNCVMXYGJK-YOEHRIQHSA-N 1 2 357.454 2.260 20 30 FEEDLO Cc1cc(C#N)cc(NC(=O)C(=O)N2CCc3c([nH+]c(C(C)C)n3C)C2)c1 ZINC000453682711 560396493 /nfs/dbraw/zinc/39/64/93/560396493.db2.gz BHVPERWNCBTKPK-UHFFFAOYSA-N 1 2 365.437 2.247 20 30 FEEDLO CCN1CCN(C(=O)Nc2cnc(C#N)c(Cl)c2)C[C@H]1c1[nH]cc[nH+]1 ZINC000455761008 560494135 /nfs/dbraw/zinc/49/41/35/560494135.db2.gz NXZHGVIOCDMGJT-AWEZNQCLSA-N 1 2 359.821 2.240 20 30 FEEDLO CN(C)c1cc(NC(=O)C2(C#N)CCOCC2)[nH+]cc1Br ZINC000456668273 560528145 /nfs/dbraw/zinc/52/81/45/560528145.db2.gz NIFZCQDDLCAIJN-UHFFFAOYSA-N 1 2 353.220 2.169 20 30 FEEDLO Cc1cc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)[nH+]c2)ncc1C#N ZINC000457472188 560569006 /nfs/dbraw/zinc/56/90/06/560569006.db2.gz ZNIIDEBOIPAORN-HUUCEWRRSA-N 1 2 365.437 2.200 20 30 FEEDLO C=CCC(C)(C)CNC(=O)NC[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000458806940 560649715 /nfs/dbraw/zinc/64/97/15/560649715.db2.gz FAGUYZIWIYFZHF-GJZGRUSLSA-N 1 2 351.470 2.234 20 30 FEEDLO C=C(C)CN(CC)C(=O)C(=O)N1CC[NH+](Cc2ccc(OCC)cc2)CC1 ZINC000459822325 560710788 /nfs/dbraw/zinc/71/07/88/560710788.db2.gz NOKAMJYVUWEHEE-UHFFFAOYSA-N 1 2 373.497 2.154 20 30 FEEDLO C[C@H](C(=O)NCc1ccc(N2CCOCC2)[nH+]c1)c1cccc(C#N)c1 ZINC000461794000 560784051 /nfs/dbraw/zinc/78/40/51/560784051.db2.gz HBKQVSIKUOXFMR-HNNXBMFYSA-N 1 2 350.422 2.210 20 30 FEEDLO CC[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000467162779 560905229 /nfs/dbraw/zinc/90/52/29/560905229.db2.gz ZUZMKXSZWBGILI-ZDUSSCGKSA-N 1 2 357.426 2.379 20 30 FEEDLO CC[C@H]1CCCC[N@H+]1CCNS(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000467162779 560905230 /nfs/dbraw/zinc/90/52/30/560905230.db2.gz ZUZMKXSZWBGILI-ZDUSSCGKSA-N 1 2 357.426 2.379 20 30 FEEDLO CSCc1cc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)ccc1F ZINC000471975512 561015473 /nfs/dbraw/zinc/01/54/73/561015473.db2.gz AYYCJLRJCIWUFC-UHFFFAOYSA-N 1 2 365.474 2.377 20 30 FEEDLO N#Cc1ccccc1OC[C@H](O)C[NH+]1CCN(CCc2ccccc2)CC1 ZINC000528338179 562323556 /nfs/dbraw/zinc/32/35/56/562323556.db2.gz GRDFFGBKGIEJBS-OAQYLSRUSA-N 1 2 365.477 2.158 20 30 FEEDLO O=C1c2ccccc2C(=O)N1CC#CC[N@@H+]1CCOC[C@H]1c1ccccc1 ZINC000528395332 562326712 /nfs/dbraw/zinc/32/67/12/562326712.db2.gz NBRRWZUWNFXLBI-FQEVSTJZSA-N 1 2 360.413 2.360 20 30 FEEDLO O=C1c2ccccc2C(=O)N1CC#CC[N@H+]1CCOC[C@H]1c1ccccc1 ZINC000528395332 562326713 /nfs/dbraw/zinc/32/67/13/562326713.db2.gz NBRRWZUWNFXLBI-FQEVSTJZSA-N 1 2 360.413 2.360 20 30 FEEDLO C[C@H](c1nccs1)N1CC[NH+](C[C@H](O)COc2ccccc2C#N)CC1 ZINC000528453108 562330113 /nfs/dbraw/zinc/33/01/13/562330113.db2.gz XMLBBQOVBADCQB-WBVHZDCISA-N 1 2 372.494 2.133 20 30 FEEDLO CC(C)(C)c1ncc2c(n1)CC[N@@H+](C[C@@H](O)COc1ccc(C#N)cc1)C2 ZINC000528595123 562337589 /nfs/dbraw/zinc/33/75/89/562337589.db2.gz TZQMRXBJGBMHIJ-QGZVFWFLSA-N 1 2 366.465 2.444 20 30 FEEDLO CC(C)(C)c1ncc2c(n1)CC[N@H+](C[C@@H](O)COc1ccc(C#N)cc1)C2 ZINC000528595123 562337590 /nfs/dbraw/zinc/33/75/90/562337590.db2.gz TZQMRXBJGBMHIJ-QGZVFWFLSA-N 1 2 366.465 2.444 20 30 FEEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccc(=O)[nH]n2)cc1Cl ZINC000528791329 562348103 /nfs/dbraw/zinc/34/81/03/562348103.db2.gz DRMLMORRZNOJKU-OAHLLOKOSA-N 1 2 357.801 2.483 20 30 FEEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2c2ccc(=O)[nH]n2)cc1Cl ZINC000528791329 562348104 /nfs/dbraw/zinc/34/81/04/562348104.db2.gz DRMLMORRZNOJKU-OAHLLOKOSA-N 1 2 357.801 2.483 20 30 FEEDLO C=CCn1cc(CNC(=O)[C@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)nn1 ZINC000529501386 562375537 /nfs/dbraw/zinc/37/55/37/562375537.db2.gz FTSWHBYVCVUKON-QGZVFWFLSA-N 1 2 359.861 2.398 20 30 FEEDLO C=CCn1cc(CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)nn1 ZINC000529501386 562375538 /nfs/dbraw/zinc/37/55/38/562375538.db2.gz FTSWHBYVCVUKON-QGZVFWFLSA-N 1 2 359.861 2.398 20 30 FEEDLO Cc1nn(C)c(N2CC[NH+](Cc3cnc(-c4ccccc4)nc3)CC2)c1C#N ZINC000530352976 562407931 /nfs/dbraw/zinc/40/79/31/562407931.db2.gz KPJPPZMDMHUPNK-UHFFFAOYSA-N 1 2 373.464 2.379 20 30 FEEDLO C[C@@H](C(=O)N(CCC#N)c1ccc2c(c1)OCCO2)[NH+]1CCSCC1 ZINC000533547706 562512575 /nfs/dbraw/zinc/51/25/75/562512575.db2.gz CZEXQTXSEMFQKE-AWEZNQCLSA-N 1 2 361.467 2.142 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CCC(=O)NC3CCCC3)CC2)cc1 ZINC000533703234 562516408 /nfs/dbraw/zinc/51/64/08/562516408.db2.gz AZPMOWFWLGKEPH-UHFFFAOYSA-N 1 2 368.481 2.041 20 30 FEEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+](C)C[C@@H](O)C(F)(F)F)cc1 ZINC000537017954 562584150 /nfs/dbraw/zinc/58/41/50/562584150.db2.gz ZUJIFLABZZNHDF-OAHLLOKOSA-N 1 2 373.375 2.187 20 30 FEEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+](C)C[C@@H](O)C(F)(F)F)cc1 ZINC000537017954 562584151 /nfs/dbraw/zinc/58/41/51/562584151.db2.gz ZUJIFLABZZNHDF-OAHLLOKOSA-N 1 2 373.375 2.187 20 30 FEEDLO N#Cc1cc(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)ccc1Cl ZINC000540881839 562595526 /nfs/dbraw/zinc/59/55/26/562595526.db2.gz FXCZXSYAZIMSCG-KRWDZBQOSA-N 1 2 365.886 2.149 20 30 FEEDLO Cc1ccc2c(c1)c(=O)n(C)c1nnc(C[NH+]3CCC(CC#N)CC3)n12 ZINC000541022146 562600530 /nfs/dbraw/zinc/60/05/30/562600530.db2.gz YJMZCIJBIPZFPU-UHFFFAOYSA-N 1 2 350.426 2.015 20 30 FEEDLO N#Cc1ccc(NC(=O)C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)cc1 ZINC000541195357 562605503 /nfs/dbraw/zinc/60/55/03/562605503.db2.gz KYHFMPBXSAYREO-UHFFFAOYSA-N 1 2 365.437 2.412 20 30 FEEDLO N#Cc1ccc(C[C@@H](C#N)C(=O)N2CC[NH+](Cc3ccc(O)cc3)CC2)cc1 ZINC000601730898 567820188 /nfs/dbraw/zinc/82/01/88/567820188.db2.gz YOOSHVCGIIEDNF-FQEVSTJZSA-N 1 2 374.444 2.291 20 30 FEEDLO CCc1c[nH]c(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)[nH+]1 ZINC000602043735 567911025 /nfs/dbraw/zinc/91/10/25/567911025.db2.gz TXHGKMIGPVWCAZ-KRWDZBQOSA-N 1 2 355.417 2.063 20 30 FEEDLO N#CC[C@H]1CCC[N@@H+](Cc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000602704609 568017864 /nfs/dbraw/zinc/01/78/64/568017864.db2.gz BEVFCBUMFFUTGA-LLVKDONJSA-N 1 2 372.288 2.222 20 30 FEEDLO N#CC[C@H]1CCC[N@H+](Cc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000602704609 568017865 /nfs/dbraw/zinc/01/78/65/568017865.db2.gz BEVFCBUMFFUTGA-LLVKDONJSA-N 1 2 372.288 2.222 20 30 FEEDLO C[N@H+](CC(=O)NCc1ccccc1Cn1cccn1)[C@H]1CCC[C@@H]1C#N ZINC000602980381 568037034 /nfs/dbraw/zinc/03/70/34/568037034.db2.gz PMKHXNZWQAFFMW-APWZRJJASA-N 1 2 351.454 2.172 20 30 FEEDLO C[N@@H+](CC(=O)NCc1ccccc1Cn1cccn1)[C@H]1CCC[C@@H]1C#N ZINC000602980381 568037035 /nfs/dbraw/zinc/03/70/35/568037035.db2.gz PMKHXNZWQAFFMW-APWZRJJASA-N 1 2 351.454 2.172 20 30 FEEDLO C[C@@H](c1cccc(NC(=O)N2CCN(CCC#N)CC2)c1)[NH+]1CCOCC1 ZINC000602831818 568047938 /nfs/dbraw/zinc/04/79/38/568047938.db2.gz IIIWJQNUBVCNJU-KRWDZBQOSA-N 1 2 371.485 2.143 20 30 FEEDLO Cc1cccc(N(CCC#N)C(=O)Cn2cc(Cn3cc[nH+]c3)nn2)c1C ZINC000603207131 568073644 /nfs/dbraw/zinc/07/36/44/568073644.db2.gz QNNZTBTVCZVXLQ-UHFFFAOYSA-N 1 2 363.425 2.087 20 30 FEEDLO CC(C)[C@@H](C#N)N1CC[NH+]([C@@H](C)C(=O)N(C)Cc2cccc(F)c2)CC1 ZINC000609486384 568346326 /nfs/dbraw/zinc/34/63/26/568346326.db2.gz JHKXIPPVOPTJHJ-QFBILLFUSA-N 1 2 360.477 2.338 20 30 FEEDLO C=CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000669198333 568564760 /nfs/dbraw/zinc/56/47/60/568564760.db2.gz NZSRBURNYZJFQM-BRWVUGGUSA-N 1 2 356.470 2.028 20 30 FEEDLO N#Cc1ccc(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)cc1-c1nn[nH]n1 ZINC000737719571 599194828 /nfs/dbraw/zinc/19/48/28/599194828.db2.gz SLHMBICKTZVZIV-UHFFFAOYSA-N 1 2 370.376 2.235 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@@H]1C ZINC000808790358 674472685 /nfs/dbraw/zinc/47/26/85/674472685.db2.gz LRAHMBWAZLZOTL-DEYYWGMASA-N 1 2 352.479 2.028 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@@H]1C ZINC000808790358 674472687 /nfs/dbraw/zinc/47/26/87/674472687.db2.gz LRAHMBWAZLZOTL-DEYYWGMASA-N 1 2 352.479 2.028 20 30 FEEDLO C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C[C@@H](C)n2cc[nH+]c2)cc1 ZINC000565055827 675090772 /nfs/dbraw/zinc/09/07/72/675090772.db2.gz ZQGMWNGMDIVZGV-CQSZACIVSA-N 1 2 362.455 2.279 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(C(=O)OC(C)(C)C)CC1 ZINC000608976900 675908243 /nfs/dbraw/zinc/90/82/43/675908243.db2.gz YSLJPALKYBDJJN-KUHUBIRLSA-N 1 2 351.491 2.483 20 30 FEEDLO CC(C)OCCCNC(=O)C1CC[NH+](Cc2nc(C#N)cs2)CC1 ZINC000580682553 671824475 /nfs/dbraw/zinc/82/44/75/671824475.db2.gz RHPWNLLSETUAHV-UHFFFAOYSA-N 1 2 350.488 2.158 20 30 FEEDLO COC(=O)C[N@@H+]1CCC[C@@H](CNc2nc(C(F)(F)F)ccc2C#N)C1 ZINC000583470682 672097765 /nfs/dbraw/zinc/09/77/65/672097765.db2.gz YSZBHDRJVAOGKJ-NSHDSACASA-N 1 2 356.348 2.269 20 30 FEEDLO COC(=O)C[N@H+]1CCC[C@@H](CNc2nc(C(F)(F)F)ccc2C#N)C1 ZINC000583470682 672097767 /nfs/dbraw/zinc/09/77/67/672097767.db2.gz YSZBHDRJVAOGKJ-NSHDSACASA-N 1 2 356.348 2.269 20 30 FEEDLO N#Cc1cc(Br)cc(S(=O)(=O)N2CCc3c[nH+]ccc32)c1 ZINC000155281242 672230381 /nfs/dbraw/zinc/23/03/81/672230381.db2.gz RWLAEYAEQZZLGG-UHFFFAOYSA-N 1 2 364.224 2.467 20 30 FEEDLO C=CCn1c(C2CC2)nn(C[N@H+]2CC[C@H](COCCOC)C2)c1=S ZINC000173391105 672351174 /nfs/dbraw/zinc/35/11/74/672351174.db2.gz FJNDUWJURMKVNM-AWEZNQCLSA-N 1 2 352.504 2.420 20 30 FEEDLO C=CCn1c(C2CC2)nn(C[N@@H+]2CC[C@H](COCCOC)C2)c1=S ZINC000173391105 672351175 /nfs/dbraw/zinc/35/11/75/672351175.db2.gz FJNDUWJURMKVNM-AWEZNQCLSA-N 1 2 352.504 2.420 20 30 FEEDLO C=C(C)C[N@@H+](C)Cc1nc(=O)c2c(C)c(C(=O)OCCOC)sc2[nH]1 ZINC000181324800 672425292 /nfs/dbraw/zinc/42/52/92/672425292.db2.gz BXQMAAKDQJLSCD-UHFFFAOYSA-N 1 2 365.455 2.104 20 30 FEEDLO C=C(C)C[N@H+](C)Cc1nc(=O)c2c(C)c(C(=O)OCCOC)sc2[nH]1 ZINC000181324800 672425293 /nfs/dbraw/zinc/42/52/93/672425293.db2.gz BXQMAAKDQJLSCD-UHFFFAOYSA-N 1 2 365.455 2.104 20 30 FEEDLO CN(C)S(=O)(=O)c1cccc(C(=O)/C=C\c2c[nH+]c3ccccn23)c1 ZINC000255710766 672895554 /nfs/dbraw/zinc/89/55/54/672895554.db2.gz NCYKYVIAFXZAFU-KTKRTIGZSA-N 1 2 355.419 2.481 20 30 FEEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CCCC[C@@H]1C(=O)N1CCCC1 ZINC000328840238 673067742 /nfs/dbraw/zinc/06/77/42/673067742.db2.gz OBURJZVGUMHDMI-ZACQAIPSSA-N 1 2 351.491 2.092 20 30 FEEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]1CCCCN1C(=O)c1cccs1 ZINC000329080288 673071741 /nfs/dbraw/zinc/07/17/41/673071741.db2.gz CMOFPUPBKZCLPW-HUUCEWRRSA-N 1 2 365.499 2.420 20 30 FEEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]1CCCCN1C(=O)c1cccs1 ZINC000329080288 673071746 /nfs/dbraw/zinc/07/17/46/673071746.db2.gz CMOFPUPBKZCLPW-HUUCEWRRSA-N 1 2 365.499 2.420 20 30 FEEDLO N#Cc1cc(F)ccc1S(=O)(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000595393961 673241172 /nfs/dbraw/zinc/24/11/72/673241172.db2.gz UIARKGLAVBCPTQ-KRWDZBQOSA-N 1 2 359.426 2.250 20 30 FEEDLO N#Cc1cc(F)ccc1S(=O)(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000595393961 673241173 /nfs/dbraw/zinc/24/11/73/673241173.db2.gz UIARKGLAVBCPTQ-KRWDZBQOSA-N 1 2 359.426 2.250 20 30 FEEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)C[C@@H]1COCCO1 ZINC000595737494 673287599 /nfs/dbraw/zinc/28/75/99/673287599.db2.gz QVQHTWGBVSUZFA-LSDHHAIUSA-N 1 2 363.483 2.224 20 30 FEEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)C[C@@H]1COCCO1 ZINC000595737494 673287600 /nfs/dbraw/zinc/28/76/00/673287600.db2.gz QVQHTWGBVSUZFA-LSDHHAIUSA-N 1 2 363.483 2.224 20 30 FEEDLO N#CCCNC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000503561896 673337474 /nfs/dbraw/zinc/33/74/74/673337474.db2.gz GRIMVZXLFFVZBZ-UHFFFAOYSA-N 1 2 366.219 2.364 20 30 FEEDLO CCOC(=O)c1sc([C@H](C)[NH2+]CC(=O)N[C@@](C)(C#N)C(C)C)nc1C ZINC000542616288 673593258 /nfs/dbraw/zinc/59/32/58/673593258.db2.gz VGUCHHKVDGKANK-SJCJKPOMSA-N 1 2 366.487 2.333 20 30 FEEDLO CCS[C@@H](C)c1noc(C[N@H+](C)C[C@@H](O)CC2(C#N)CCOCC2)n1 ZINC000599322034 673658864 /nfs/dbraw/zinc/65/88/64/673658864.db2.gz XFSJEEMNKIHBSD-KBPBESRZSA-N 1 2 368.503 2.387 20 30 FEEDLO CCS[C@@H](C)c1noc(C[N@@H+](C)C[C@@H](O)CC2(C#N)CCOCC2)n1 ZINC000599322034 673658867 /nfs/dbraw/zinc/65/88/67/673658867.db2.gz XFSJEEMNKIHBSD-KBPBESRZSA-N 1 2 368.503 2.387 20 30 FEEDLO CC1(C)C[N@H+](C[C@H](O)CC2(C#N)CCOCC2)C[C@H](C(F)(F)F)O1 ZINC000599425374 673674402 /nfs/dbraw/zinc/67/44/02/673674402.db2.gz DLSFSFCAYGBYQE-CHWSQXEVSA-N 1 2 350.381 2.099 20 30 FEEDLO CC1(C)C[N@@H+](C[C@H](O)CC2(C#N)CCOCC2)C[C@H](C(F)(F)F)O1 ZINC000599425374 673674405 /nfs/dbraw/zinc/67/44/05/673674405.db2.gz DLSFSFCAYGBYQE-CHWSQXEVSA-N 1 2 350.381 2.099 20 30 FEEDLO C[C@H](CNS(=O)(=O)CC1(C#N)CCCC1)[N@@H+]1CCc2sccc2C1 ZINC000545388575 673765213 /nfs/dbraw/zinc/76/52/13/673765213.db2.gz XHYPCIQTPUPZNK-CQSZACIVSA-N 1 2 367.540 2.498 20 30 FEEDLO C[C@H](CNS(=O)(=O)CC1(C#N)CCCC1)[N@H+]1CCc2sccc2C1 ZINC000545388575 673765216 /nfs/dbraw/zinc/76/52/16/673765216.db2.gz XHYPCIQTPUPZNK-CQSZACIVSA-N 1 2 367.540 2.498 20 30 FEEDLO Cc1cc(Br)cn2cc(CCNC(=O)NC[C@H](C)C#N)[nH+]c12 ZINC000546851782 673823193 /nfs/dbraw/zinc/82/31/93/673823193.db2.gz WNCBDFXVMJYJOW-SNVBAGLBSA-N 1 2 364.247 2.407 20 30 FEEDLO N#CCC1CCN(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)CC1 ZINC000601648322 673891048 /nfs/dbraw/zinc/89/10/48/673891048.db2.gz LPFYQAKFJWHZKU-UHFFFAOYSA-N 1 2 359.499 2.470 20 30 FEEDLO CC(C)(C)NS(=O)(=O)c1ccccc1C[NH2+]Cc1cccc(C#N)n1 ZINC000602533913 673907470 /nfs/dbraw/zinc/90/74/70/673907470.db2.gz ZMJVRFVDHLMAQV-UHFFFAOYSA-N 1 2 358.467 2.320 20 30 FEEDLO Cc1ccc(I)cc1OC[C@H](O)C[N@H+](C)CCC#N ZINC000567568650 675302738 /nfs/dbraw/zinc/30/27/38/675302738.db2.gz NBERKGJATIKQGV-CYBMUJFWSA-N 1 2 374.222 2.185 20 30 FEEDLO Cc1ccc(I)cc1OC[C@H](O)C[N@@H+](C)CCC#N ZINC000567568650 675302740 /nfs/dbraw/zinc/30/27/40/675302740.db2.gz NBERKGJATIKQGV-CYBMUJFWSA-N 1 2 374.222 2.185 20 30 FEEDLO C=CCC1(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CCCCC1 ZINC000823227211 675537728 /nfs/dbraw/zinc/53/77/28/675537728.db2.gz JOMSCUHMSRBJNI-UHFFFAOYSA-N 1 2 356.532 2.138 20 30 FEEDLO Cn1cc[nH+]c1[C@@H]1CCCN(S(=O)(=O)Cc2ccc(CC#N)cc2)C1 ZINC000827529135 675762589 /nfs/dbraw/zinc/76/25/89/675762589.db2.gz IDCQLSXOXBUFQV-QGZVFWFLSA-N 1 2 358.467 2.196 20 30 FEEDLO C=CCC1(C(=O)NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)CCCCC1 ZINC000628576685 676808500 /nfs/dbraw/zinc/80/85/00/676808500.db2.gz MVOLWGYVDVAFKJ-HXUWFJFHSA-N 1 2 350.503 2.245 20 30 FEEDLO C=CCC1(C(=O)NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)CCCCC1 ZINC000628576685 676808503 /nfs/dbraw/zinc/80/85/03/676808503.db2.gz MVOLWGYVDVAFKJ-HXUWFJFHSA-N 1 2 350.503 2.245 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+]2[C@H](C)CN(C(=O)OC(C)(C)C)[C@@H](C)[C@@H]2C)C1=O ZINC000830182394 677029119 /nfs/dbraw/zinc/02/91/19/677029119.db2.gz ADTZZCBATCUBHG-UGUYLWEFSA-N 1 2 351.491 2.492 20 30 FEEDLO C=CCN1CC[C@H]([N@H+]2[C@H](C)CN(C(=O)OC(C)(C)C)[C@@H](C)[C@@H]2C)C1=O ZINC000830182394 677029121 /nfs/dbraw/zinc/02/91/21/677029121.db2.gz ADTZZCBATCUBHG-UGUYLWEFSA-N 1 2 351.491 2.492 20 30 FEEDLO CC#CC[NH2+]Cc1cn([C@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)nn1 ZINC000640839879 677189687 /nfs/dbraw/zinc/18/96/87/677189687.db2.gz VTLBFJQKMJNQJZ-LLVKDONJSA-N 1 2 356.455 2.327 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](C[N@@H+](C)Cc2nnc(C)s2)C1 ZINC001017211441 680073049 /nfs/dbraw/zinc/07/30/49/680073049.db2.gz BNPPRWVVTJVUJI-OAGGEKHMSA-N 1 2 364.515 2.108 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](C[N@H+](C)Cc2nnc(C)s2)C1 ZINC001017211441 680073057 /nfs/dbraw/zinc/07/30/57/680073057.db2.gz BNPPRWVVTJVUJI-OAGGEKHMSA-N 1 2 364.515 2.108 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CCC[N@@H+](Cc1csc(C)n1)C2 ZINC000982023494 680263701 /nfs/dbraw/zinc/26/37/01/680263701.db2.gz JKDSXZDUUWRWKV-SJORKVTESA-N 1 2 361.511 2.467 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CCC[N@H+](Cc1csc(C)n1)C2 ZINC000982023494 680263705 /nfs/dbraw/zinc/26/37/05/680263705.db2.gz JKDSXZDUUWRWKV-SJORKVTESA-N 1 2 361.511 2.467 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](Cc2nnc(CC)s2)C1 ZINC001023599491 680264910 /nfs/dbraw/zinc/26/49/10/680264910.db2.gz LZYKYBPEIOSMFB-KFWWJZLASA-N 1 2 364.515 2.020 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](Cc2nnc(CC)s2)C1 ZINC001023599491 680264916 /nfs/dbraw/zinc/26/49/16/680264916.db2.gz LZYKYBPEIOSMFB-KFWWJZLASA-N 1 2 364.515 2.020 20 30 FEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(CN2CCOCC2)c(Cl)c1 ZINC000753123087 680275789 /nfs/dbraw/zinc/27/57/89/680275789.db2.gz QRLSQCJXZVMUGA-SFHVURJKSA-N 1 2 361.873 2.208 20 30 FEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(CN2CCOCC2)c(Cl)c1 ZINC000753123087 680275790 /nfs/dbraw/zinc/27/57/90/680275790.db2.gz QRLSQCJXZVMUGA-SFHVURJKSA-N 1 2 361.873 2.208 20 30 FEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F ZINC001024509728 680294581 /nfs/dbraw/zinc/29/45/81/680294581.db2.gz ZDZOAZHJMYUSPP-UPJWGTAASA-N 1 2 370.799 2.056 20 30 FEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F ZINC001024509728 680294583 /nfs/dbraw/zinc/29/45/83/680294583.db2.gz ZDZOAZHJMYUSPP-UPJWGTAASA-N 1 2 370.799 2.056 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]([N@@H+](C)Cc2ncc(Cl)n2C)C1 ZINC001027586022 680360879 /nfs/dbraw/zinc/36/08/79/680360879.db2.gz VMYUVYUGJXHETR-ZNMIVQPWSA-N 1 2 366.893 2.087 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]([N@H+](C)Cc2ncc(Cl)n2C)C1 ZINC001027586022 680360883 /nfs/dbraw/zinc/36/08/83/680360883.db2.gz VMYUVYUGJXHETR-ZNMIVQPWSA-N 1 2 366.893 2.087 20 30 FEEDLO C=C(Br)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001028038754 680367980 /nfs/dbraw/zinc/36/79/80/680367980.db2.gz CAHDNKVEHOGUOU-KFWWJZLASA-N 1 2 357.292 2.291 20 30 FEEDLO C=C(Br)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001028038754 680367982 /nfs/dbraw/zinc/36/79/82/680367982.db2.gz CAHDNKVEHOGUOU-KFWWJZLASA-N 1 2 357.292 2.291 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1C[NH+](Cc2cc(F)ccc2F)C1 ZINC001032047230 680412208 /nfs/dbraw/zinc/41/22/08/680412208.db2.gz RNBPNRYDHDXUEO-WMZOPIPTSA-N 1 2 350.409 2.494 20 30 FEEDLO C=C(Br)C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001034409034 680435779 /nfs/dbraw/zinc/43/57/79/680435779.db2.gz AFYGGIKSQMLSEY-TUVASFSCSA-N 1 2 357.292 2.433 20 30 FEEDLO C=C(Br)C[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001034409034 680435780 /nfs/dbraw/zinc/43/57/80/680435780.db2.gz AFYGGIKSQMLSEY-TUVASFSCSA-N 1 2 357.292 2.433 20 30 FEEDLO Cc1nsc(N[C@@H]2CN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C[C@H]2C)c1C#N ZINC001043553662 680587295 /nfs/dbraw/zinc/58/72/95/680587295.db2.gz BXVWBESTIHREKZ-UEKVPHQBSA-N 1 2 358.471 2.184 20 30 FEEDLO Cc1nsc(N[C@@H]2CN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C[C@H]2C)c1C#N ZINC001043553662 680587297 /nfs/dbraw/zinc/58/72/97/680587297.db2.gz BXVWBESTIHREKZ-UEKVPHQBSA-N 1 2 358.471 2.184 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1C[NH+](CCOc2cccc(Cl)c2)C1 ZINC001043924115 680603110 /nfs/dbraw/zinc/60/31/10/680603110.db2.gz SBJDJJNOYSKQQI-MSOLQXFVSA-N 1 2 364.873 2.453 20 30 FEEDLO C#CCCC[NH+]1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000766895921 680891811 /nfs/dbraw/zinc/89/18/11/680891811.db2.gz KRLNDCJGPQQEBS-UHFFFAOYSA-N 1 2 360.401 2.425 20 30 FEEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3ccsc3)C2)CC1 ZINC001052043309 681071024 /nfs/dbraw/zinc/07/10/24/681071024.db2.gz URVFKSYYWFIKMB-GBESFXJTSA-N 1 2 357.523 2.093 20 30 FEEDLO N#Cc1c(Cl)nsc1N[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001059107717 681178935 /nfs/dbraw/zinc/17/89/35/681178935.db2.gz JFKNJCRQASYERM-IVZWLZJFSA-N 1 2 362.846 2.208 20 30 FEEDLO N#Cc1c(Cl)nsc1N[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001059107717 681178938 /nfs/dbraw/zinc/17/89/38/681178938.db2.gz JFKNJCRQASYERM-IVZWLZJFSA-N 1 2 362.846 2.208 20 30 FEEDLO CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932946699 681333715 /nfs/dbraw/zinc/33/37/15/681333715.db2.gz SWKGQSJZGJADTO-KNVOCYPGSA-N 1 2 354.241 2.225 20 30 FEEDLO CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932946699 681333717 /nfs/dbraw/zinc/33/37/17/681333717.db2.gz SWKGQSJZGJADTO-KNVOCYPGSA-N 1 2 354.241 2.225 20 30 FEEDLO Cn1cc[nH+]c1[C@@H]1CCCN(S(=O)(=O)Cc2csc(C#N)c2)C1 ZINC000915033102 685511309 /nfs/dbraw/zinc/51/13/09/685511309.db2.gz PXPMAPLLICVXSP-CYBMUJFWSA-N 1 2 350.469 2.063 20 30 FEEDLO NC(=[NH+]OCC(=O)NC(C1CC1)C1CC1)c1ccc(Br)cc1 ZINC000782949523 682098151 /nfs/dbraw/zinc/09/81/51/682098151.db2.gz IVIFRVNZLNFWNQ-UHFFFAOYSA-N 1 2 366.259 2.391 20 30 FEEDLO N#CCCCS(=O)(=O)c1ccc(C(=O)OCCCn2cc[nH+]c2)cc1 ZINC000783322708 682134956 /nfs/dbraw/zinc/13/49/56/682134956.db2.gz GGIYCFDNCFPOSK-UHFFFAOYSA-N 1 2 361.423 2.208 20 30 FEEDLO C=CC[N@H+](CC(=O)Nc1sc2c(c1C(N)=O)CCCC2)[C@H](C)COC ZINC000852357642 682265898 /nfs/dbraw/zinc/26/58/98/682265898.db2.gz FSMFODKTFYCALV-GFCCVEGCSA-N 1 2 365.499 2.187 20 30 FEEDLO C=CC[N@@H+](CC(=O)Nc1sc2c(c1C(N)=O)CCCC2)[C@H](C)COC ZINC000852357642 682265900 /nfs/dbraw/zinc/26/59/00/682265900.db2.gz FSMFODKTFYCALV-GFCCVEGCSA-N 1 2 365.499 2.187 20 30 FEEDLO C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CN(c3ccccn3)C[C@H]2C)C1 ZINC000971551769 682358683 /nfs/dbraw/zinc/35/86/83/682358683.db2.gz LPWBLUBIAIEQQO-DJIMGWMZSA-N 1 2 362.905 2.439 20 30 FEEDLO C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CN(c3ccccn3)C[C@H]2C)C1 ZINC000971551769 682358687 /nfs/dbraw/zinc/35/86/87/682358687.db2.gz LPWBLUBIAIEQQO-DJIMGWMZSA-N 1 2 362.905 2.439 20 30 FEEDLO C#CCCCOc1ccc[nH+]c1NCc1cccc(CS(N)(=O)=O)c1 ZINC000853258148 682399693 /nfs/dbraw/zinc/39/96/93/682399693.db2.gz JCZGFRVDVXIVKM-UHFFFAOYSA-N 1 2 359.451 2.274 20 30 FEEDLO C=CC[C@H](CC)NC(=O)N1CC[N@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000798495702 683359171 /nfs/dbraw/zinc/35/91/71/683359171.db2.gz IZODKSDLSURLKL-LSDHHAIUSA-N 1 2 354.495 2.191 20 30 FEEDLO C=CC[C@H](CC)NC(=O)N1CC[N@@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000798495702 683359174 /nfs/dbraw/zinc/35/91/74/683359174.db2.gz IZODKSDLSURLKL-LSDHHAIUSA-N 1 2 354.495 2.191 20 30 FEEDLO N#CCCc1ccc(S(=O)(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)cc1 ZINC000921321037 683422107 /nfs/dbraw/zinc/42/21/07/683422107.db2.gz YETWXCVIXKBUHI-IRXDYDNUSA-N 1 2 365.524 2.001 20 30 FEEDLO N#CCCc1ccc(S(=O)(=O)N[C@H]2CCC[N@H+]3CCSC[C@@H]23)cc1 ZINC000921321037 683422112 /nfs/dbraw/zinc/42/21/12/683422112.db2.gz YETWXCVIXKBUHI-IRXDYDNUSA-N 1 2 365.524 2.001 20 30 FEEDLO O=c1ccn(N=C2CC[NH+](Cc3c(F)cccc3Cl)CC2)c(=O)[nH]1 ZINC000863185059 683683475 /nfs/dbraw/zinc/68/34/75/683683475.db2.gz UDPKAOXJDOLBJS-UHFFFAOYSA-N 1 2 350.781 2.242 20 30 FEEDLO Cn1ncc(I)c1C[NH2+]Cc1csc(C#N)c1 ZINC000922319531 683697893 /nfs/dbraw/zinc/69/78/93/683697893.db2.gz HJUXSNYZCPBIBW-UHFFFAOYSA-N 1 2 358.208 2.248 20 30 FEEDLO C=C(Cl)C[C@@H]1NC(=O)N(Cc2ccccc2C[NH+]2CCOCC2)C1=O ZINC000865297519 683963198 /nfs/dbraw/zinc/96/31/98/683963198.db2.gz XDROEFBRQWSCEE-INIZCTEOSA-N 1 2 363.845 2.082 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccc(OC(F)F)cc1F ZINC000876511113 686213166 /nfs/dbraw/zinc/21/31/66/686213166.db2.gz WVMYZZIKOXZBPI-UHFFFAOYSA-N 1 2 357.376 2.475 20 30 FEEDLO C=C(Br)C[N@H+]1CCC[C@@H](Oc2ccnc(C(=O)NC)c2)C1 ZINC000878785306 686658465 /nfs/dbraw/zinc/65/84/65/686658465.db2.gz OERRBYQUHXSMNM-CYBMUJFWSA-N 1 2 354.248 2.193 20 30 FEEDLO C=C(Br)C[N@@H+]1CCC[C@@H](Oc2ccnc(C(=O)NC)c2)C1 ZINC000878785306 686658467 /nfs/dbraw/zinc/65/84/67/686658467.db2.gz OERRBYQUHXSMNM-CYBMUJFWSA-N 1 2 354.248 2.193 20 30 FEEDLO N#CCn1c(C[N@@H+]2CC[C@@H](c3nccs3)C2)nc2ccccc2c1=O ZINC000880319048 687033905 /nfs/dbraw/zinc/03/39/05/687033905.db2.gz SNXBCBMVNMXOIY-CYBMUJFWSA-N 1 2 351.435 2.366 20 30 FEEDLO N#CCn1c(C[N@H+]2CC[C@@H](c3nccs3)C2)nc2ccccc2c1=O ZINC000880319048 687033910 /nfs/dbraw/zinc/03/39/10/687033910.db2.gz SNXBCBMVNMXOIY-CYBMUJFWSA-N 1 2 351.435 2.366 20 30 FEEDLO O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)NC[C@@H](O)C(F)(F)C(F)(F)F ZINC000882554439 687391320 /nfs/dbraw/zinc/39/13/20/687391320.db2.gz MHWHZLMRBHSRLU-NKWVEPMBSA-N 1 2 369.212 2.051 20 30 FEEDLO CC(C)(C)OCCC[NH+]1CCN(S(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000882734809 687461775 /nfs/dbraw/zinc/46/17/75/687461775.db2.gz LSBHCEMGNASWDX-UHFFFAOYSA-N 1 2 365.499 2.070 20 30 FEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCc2c(Cl)cc(Cl)cc2C1 ZINC000884320962 687847838 /nfs/dbraw/zinc/84/78/38/687847838.db2.gz BQWHMCYSKYNFBG-AWEZNQCLSA-N 1 2 357.237 2.325 20 30 FEEDLO C=CCC1(O)CC[NH+]([C@@H]2CCN(c3sccc3C(=O)OC)C2=O)CC1 ZINC000886767004 688304470 /nfs/dbraw/zinc/30/44/70/688304470.db2.gz XMULIWGUHYYHCL-CQSZACIVSA-N 1 2 364.467 2.043 20 30 FEEDLO CCc1nnc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000900044700 690466335 /nfs/dbraw/zinc/46/63/35/690466335.db2.gz GQFNKRQYIDMQOP-UHFFFAOYSA-N 1 2 355.467 2.320 20 30 FEEDLO CCc1nnc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000900044700 690466338 /nfs/dbraw/zinc/46/63/38/690466338.db2.gz GQFNKRQYIDMQOP-UHFFFAOYSA-N 1 2 355.467 2.320 20 30 FEEDLO C=CCOC(=O)[C@@H]([NH3+])Cc1nc(Cc2cccc(C(F)(F)F)c2)no1 ZINC000904080038 691001117 /nfs/dbraw/zinc/00/11/17/691001117.db2.gz WGGIUVUMYICCEK-LBPRGKRZSA-N 1 2 355.316 2.278 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[NH2+]Cc2nc3c(s2)CCCC3)cc1 ZINC000905569264 691143530 /nfs/dbraw/zinc/14/35/30/691143530.db2.gz XFDGSECJCSZLNO-UHFFFAOYSA-N 1 2 361.492 2.457 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)N2CCC(CCCn3cc[nH+]c3)CC2)nc1 ZINC000907109459 691397473 /nfs/dbraw/zinc/39/74/73/691397473.db2.gz AZUNICVIKJCNCA-UHFFFAOYSA-N 1 2 359.455 2.031 20 30 FEEDLO N#Cc1cc(Cl)nc(C(F)(F)N2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC001165036269 721911047 /nfs/dbraw/zinc/91/10/47/721911047.db2.gz AEVSJEIVPJGFAP-ZDUSSCGKSA-N 1 2 356.804 2.453 20 30 FEEDLO CCOc1ccccc1N1CC[NH+](CC(=O)N[C@@](C)(C#N)C2CC2)CC1 ZINC000006982706 539443547 /nfs/dbraw/zinc/44/35/47/539443547.db2.gz HYIXTMZJLUVJMK-FQEVSTJZSA-N 1 2 356.470 2.016 20 30 FEEDLO Cc1cccc(NC(=O)C[N@H+](C)C[C@@H](O)COc2ccc(C#N)cc2)c1C ZINC000017741424 539643139 /nfs/dbraw/zinc/64/31/39/539643139.db2.gz NVMBNYFFGGDDRL-GOSISDBHSA-N 1 2 367.449 2.485 20 30 FEEDLO Cc1cccc(NC(=O)C[N@@H+](C)C[C@@H](O)COc2ccc(C#N)cc2)c1C ZINC000017741424 539643143 /nfs/dbraw/zinc/64/31/43/539643143.db2.gz NVMBNYFFGGDDRL-GOSISDBHSA-N 1 2 367.449 2.485 20 30 FEEDLO CS(=O)(=O)N1CC[NH+](Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000023629425 539717716 /nfs/dbraw/zinc/71/77/16/539717716.db2.gz KOEJLHZFOONTBS-UHFFFAOYSA-N 1 2 355.463 2.302 20 30 FEEDLO Cc1ccccc1CN1CC[NH+](C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000025230344 539751843 /nfs/dbraw/zinc/75/18/43/539751843.db2.gz PIAYGZGCGFEHTM-OAQYLSRUSA-N 1 2 365.477 2.424 20 30 FEEDLO N#Cc1ccc(N2CC[C@H]([NH+]3CCN(c4ccccc4O)CC3)C2=O)cc1 ZINC000028708731 539835569 /nfs/dbraw/zinc/83/55/69/539835569.db2.gz YWSIWKJODFVSDM-IBGZPJMESA-N 1 2 362.433 2.191 20 30 FEEDLO C[C@@H]1Cc2ccccc2N1C(=O)C[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000029443945 539853553 /nfs/dbraw/zinc/85/35/53/539853553.db2.gz PEXGUSDPXLHJMX-MRXNPFEDSA-N 1 2 361.449 2.053 20 30 FEEDLO N#Cc1ccnc(N2CC[NH+](Cc3cc(=O)oc4cc(O)ccc34)CC2)c1 ZINC000029444879 539853834 /nfs/dbraw/zinc/85/38/34/539853834.db2.gz RUQZZKHVWLTKKK-UHFFFAOYSA-N 1 2 362.389 2.087 20 30 FEEDLO N#Cc1ccccc1S(=O)(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000030005028 539872164 /nfs/dbraw/zinc/87/21/64/539872164.db2.gz LECNZKDHKBXDKS-UHFFFAOYSA-N 1 2 366.446 2.324 20 30 FEEDLO CCCCNC(=O)C1CC[NH+](CC(=O)Nc2oc(C)c(C)c2C#N)CC1 ZINC000029928422 539869438 /nfs/dbraw/zinc/86/94/38/539869438.db2.gz YJGFHFRHFCPKSN-UHFFFAOYSA-N 1 2 360.458 2.335 20 30 FEEDLO Cc1nn(CCC#N)c(C)c1CCC(=O)NCc1ccc[nH+]c1N(C)C ZINC000032690128 539947625 /nfs/dbraw/zinc/94/76/25/539947625.db2.gz DXAGUPQVUAFYEV-UHFFFAOYSA-N 1 2 354.458 2.124 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1csc(Br)c1 ZINC000037846157 539997796 /nfs/dbraw/zinc/99/77/96/539997796.db2.gz WEXSIYLVEGONPR-UHFFFAOYSA-N 1 2 372.288 2.199 20 30 FEEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+](C)CC(=O)NC(C)(C)C ZINC000042506529 540065044 /nfs/dbraw/zinc/06/50/44/540065044.db2.gz GTUKCEIJCKHHCE-AWEZNQCLSA-N 1 2 351.516 2.498 20 30 FEEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+](C)CC(=O)NC(C)(C)C ZINC000042506529 540065045 /nfs/dbraw/zinc/06/50/45/540065045.db2.gz GTUKCEIJCKHHCE-AWEZNQCLSA-N 1 2 351.516 2.498 20 30 FEEDLO C=CCOc1ccccc1C(=O)N1CCC[N@@H+](CC(=O)NC(C)(C)C)CC1 ZINC000045211058 540207374 /nfs/dbraw/zinc/20/73/74/540207374.db2.gz DURDOICRRACGAH-UHFFFAOYSA-N 1 2 373.497 2.314 20 30 FEEDLO C=CCOc1ccccc1C(=O)N1CCC[N@H+](CC(=O)NC(C)(C)C)CC1 ZINC000045211058 540207376 /nfs/dbraw/zinc/20/73/76/540207376.db2.gz DURDOICRRACGAH-UHFFFAOYSA-N 1 2 373.497 2.314 20 30 FEEDLO N#Cc1ccsc1NC(=O)CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000045314472 540209523 /nfs/dbraw/zinc/20/95/23/540209523.db2.gz QGCNQDGNOZWEGM-UHFFFAOYSA-N 1 2 365.462 2.248 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000047744685 540327053 /nfs/dbraw/zinc/32/70/53/540327053.db2.gz VEFVDLSXDUAWFS-KXBFYZLASA-N 1 2 373.457 2.160 20 30 FEEDLO N#Cc1ccc(CNC(=O)NCc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000048141642 540347066 /nfs/dbraw/zinc/34/70/66/540347066.db2.gz GTUJJKYXJXNFPM-UHFFFAOYSA-N 1 2 364.449 2.390 20 30 FEEDLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N(C)CCCc2[nH]nc(N)c2C#N)c1 ZINC000538253766 540832526 /nfs/dbraw/zinc/83/25/26/540832526.db2.gz AGVMQSRJJYBAAD-UHFFFAOYSA-N 1 2 363.425 2.063 20 30 FEEDLO Cc1ccc(C#N)cc1NC(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000058453011 540843904 /nfs/dbraw/zinc/84/39/04/540843904.db2.gz ORDRCHDPYOXUSI-UHFFFAOYSA-N 1 2 351.410 2.420 20 30 FEEDLO N#CC1CC[NH+](CC(=O)NCCc2ccc(OC(F)(F)F)cc2)CC1 ZINC000060893108 541123050 /nfs/dbraw/zinc/12/30/50/541123050.db2.gz OZFXTCLIOVEIBM-UHFFFAOYSA-N 1 2 355.360 2.479 20 30 FEEDLO N#Cc1cccc(NC(=O)C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)c1 ZINC000063227054 541160162 /nfs/dbraw/zinc/16/01/62/541160162.db2.gz IIDHVUWXMPJZJU-UHFFFAOYSA-N 1 2 363.352 2.138 20 30 FEEDLO C=CC[N@@H+](CC(=O)N1CCC[C@@H](C(=O)OCC)C1)Cc1cccc(C#N)c1 ZINC000063388280 541166127 /nfs/dbraw/zinc/16/61/27/541166127.db2.gz BAPVFHOEDPEYHM-LJQANCHMSA-N 1 2 369.465 2.348 20 30 FEEDLO C=CC[N@H+](CC(=O)N1CCC[C@@H](C(=O)OCC)C1)Cc1cccc(C#N)c1 ZINC000063388280 541166128 /nfs/dbraw/zinc/16/61/28/541166128.db2.gz BAPVFHOEDPEYHM-LJQANCHMSA-N 1 2 369.465 2.348 20 30 FEEDLO N#Cc1cccnc1N1CCC[N@@H+](CC(=O)NCCC2=CCCCC2)CC1 ZINC000066437813 541318778 /nfs/dbraw/zinc/31/87/78/541318778.db2.gz HDHGUJFJRRUSNX-UHFFFAOYSA-N 1 2 367.497 2.472 20 30 FEEDLO N#Cc1cccnc1N1CCC[N@H+](CC(=O)NCCC2=CCCCC2)CC1 ZINC000066437813 541318782 /nfs/dbraw/zinc/31/87/82/541318782.db2.gz HDHGUJFJRRUSNX-UHFFFAOYSA-N 1 2 367.497 2.472 20 30 FEEDLO Cc1noc(C)c1C[NH+]1CCN([C@@H](C)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000067411245 541460045 /nfs/dbraw/zinc/46/00/45/541460045.db2.gz PGNPJGHRULHFDX-HNNXBMFYSA-N 1 2 367.453 2.308 20 30 FEEDLO COc1ccccc1NCC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000070923406 541752725 /nfs/dbraw/zinc/75/27/25/541752725.db2.gz IBADHFVRTALKRL-UHFFFAOYSA-N 1 2 364.449 2.323 20 30 FEEDLO Cc1ccc2c(CC(=O)N(CCC#N)CC[NH+]3CCOCC3)coc2c1 ZINC000072622552 541840514 /nfs/dbraw/zinc/84/05/14/541840514.db2.gz GLFJRTQBUYBSAM-UHFFFAOYSA-N 1 2 355.438 2.358 20 30 FEEDLO Cc1nc(CC(N)=[NH+]O[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cs1 ZINC000072920091 541894149 /nfs/dbraw/zinc/89/41/49/541894149.db2.gz BVHLYMCGVNOXTQ-SECBINFHSA-N 1 2 363.399 2.218 20 30 FEEDLO COC(=O)c1ccccc1N(C)C(=O)C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000073651527 541982412 /nfs/dbraw/zinc/98/24/12/541982412.db2.gz DAEASZGEEWWZMJ-UHFFFAOYSA-N 1 2 351.406 2.440 20 30 FEEDLO COC(=O)c1ccccc1N(C)C(=O)C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000073651527 541982415 /nfs/dbraw/zinc/98/24/15/541982415.db2.gz DAEASZGEEWWZMJ-UHFFFAOYSA-N 1 2 351.406 2.440 20 30 FEEDLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000074134107 542041673 /nfs/dbraw/zinc/04/16/73/542041673.db2.gz WEPWFWVIWMLFHZ-YZGWKJHDSA-N 1 2 369.513 2.104 20 30 FEEDLO CC(C)C(=O)N1CCC[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)CC1 ZINC000075712116 542199431 /nfs/dbraw/zinc/19/94/31/542199431.db2.gz YRRRJMHYGGXYIY-UHFFFAOYSA-N 1 2 353.426 2.299 20 30 FEEDLO CC(C)C(=O)N1CCC[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)CC1 ZINC000075712116 542199437 /nfs/dbraw/zinc/19/94/37/542199437.db2.gz YRRRJMHYGGXYIY-UHFFFAOYSA-N 1 2 353.426 2.299 20 30 FEEDLO COc1ccccc1C[NH+]1CCN([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000076343300 542265609 /nfs/dbraw/zinc/26/56/09/542265609.db2.gz UHMDXIACCYAFRF-UTKZUKDTSA-N 1 2 372.513 2.256 20 30 FEEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000078607149 542470530 /nfs/dbraw/zinc/47/05/30/542470530.db2.gz GKFCHZLBCJYICH-INIZCTEOSA-N 1 2 358.442 2.306 20 30 FEEDLO CC(=O)N1CCC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)CC1 ZINC000078654901 542474284 /nfs/dbraw/zinc/47/42/84/542474284.db2.gz AJTSHHREHGMTBG-SFHVURJKSA-N 1 2 370.497 2.493 20 30 FEEDLO CC(=O)N1CCC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)CC1 ZINC000078654901 542474288 /nfs/dbraw/zinc/47/42/88/542474288.db2.gz AJTSHHREHGMTBG-SFHVURJKSA-N 1 2 370.497 2.493 20 30 FEEDLO N#Cc1ccc(F)c(CNC(=O)c2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000080779621 542607787 /nfs/dbraw/zinc/60/77/87/542607787.db2.gz NCXWUOXXAJXXIX-UHFFFAOYSA-N 1 2 353.397 2.460 20 30 FEEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+](C)Cc1cnccn1 ZINC000080965075 542619267 /nfs/dbraw/zinc/61/92/67/542619267.db2.gz PJNXBVDYPKDVFY-HNNXBMFYSA-N 1 2 353.426 2.252 20 30 FEEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+](C)Cc1cnccn1 ZINC000080965075 542619268 /nfs/dbraw/zinc/61/92/68/542619268.db2.gz PJNXBVDYPKDVFY-HNNXBMFYSA-N 1 2 353.426 2.252 20 30 FEEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000081084960 542629827 /nfs/dbraw/zinc/62/98/27/542629827.db2.gz HSHXAYQATBVNRC-CZUORRHYSA-N 1 2 355.360 2.321 20 30 FEEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000081084960 542629829 /nfs/dbraw/zinc/62/98/29/542629829.db2.gz HSHXAYQATBVNRC-CZUORRHYSA-N 1 2 355.360 2.321 20 30 FEEDLO Cc1cccc(-c2noc(CN(CCC#N)CC[NH+]3CCOCC3)n2)c1 ZINC000081158305 542636909 /nfs/dbraw/zinc/63/69/09/542636909.db2.gz SXFZXPHOMFIAJH-UHFFFAOYSA-N 1 2 355.442 2.093 20 30 FEEDLO C[C@@](O)(Cc1ccccc1)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000081230190 542640059 /nfs/dbraw/zinc/64/00/59/542640059.db2.gz FKKXMXXJHCQYAF-JOCHJYFZSA-N 1 2 363.461 2.196 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Nc1cc(-c2ccccc2)on1 ZINC000085609930 542730707 /nfs/dbraw/zinc/73/07/07/542730707.db2.gz YGKSBDIOFXANAZ-UHFFFAOYSA-N 1 2 369.425 2.421 20 30 FEEDLO CC1(C)C[NH+]=C(N2CCN(CC(=O)Nc3sccc3C#N)CC2)S1 ZINC000085821392 542731814 /nfs/dbraw/zinc/73/18/14/542731814.db2.gz HPRSRLIQXJHMDN-UHFFFAOYSA-N 1 2 363.512 2.057 20 30 FEEDLO COC(=O)c1cc(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)c(C)s1 ZINC000089102619 542757683 /nfs/dbraw/zinc/75/76/83/542757683.db2.gz ZFVIUJXOOQOXBI-UHFFFAOYSA-N 1 2 356.451 2.432 20 30 FEEDLO CCc1nsc(N2CCC[N@H+](Cc3cnc4ccc(C#N)cn34)CC2)n1 ZINC000093871519 542943421 /nfs/dbraw/zinc/94/34/21/542943421.db2.gz NPTFHJUXNCDFLH-UHFFFAOYSA-N 1 2 367.482 2.332 20 30 FEEDLO CCc1nsc(N2CCC[N@@H+](Cc3cnc4ccc(C#N)cn34)CC2)n1 ZINC000093871519 542943423 /nfs/dbraw/zinc/94/34/23/542943423.db2.gz NPTFHJUXNCDFLH-UHFFFAOYSA-N 1 2 367.482 2.332 20 30 FEEDLO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000101951480 543051498 /nfs/dbraw/zinc/05/14/98/543051498.db2.gz LORVOOOKAKUBRW-CQSZACIVSA-N 1 2 362.499 2.353 20 30 FEEDLO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000101951480 543051503 /nfs/dbraw/zinc/05/15/03/543051503.db2.gz LORVOOOKAKUBRW-CQSZACIVSA-N 1 2 362.499 2.353 20 30 FEEDLO CCOc1cccc(N2CC[NH+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC2)n1 ZINC000106873570 543252569 /nfs/dbraw/zinc/25/25/69/543252569.db2.gz ALXWAOLULZJRQD-OXJNMPFZSA-N 1 2 373.501 2.045 20 30 FEEDLO C=CC[N@@H+](CCNS(C)(=O)=O)Cc1cc(Br)ccc1F ZINC000107300175 543265700 /nfs/dbraw/zinc/26/57/00/543265700.db2.gz VNHAUYXDTYLXKW-UHFFFAOYSA-N 1 2 365.268 2.125 20 30 FEEDLO C=CC[N@H+](CCNS(C)(=O)=O)Cc1cc(Br)ccc1F ZINC000107300175 543265702 /nfs/dbraw/zinc/26/57/02/543265702.db2.gz VNHAUYXDTYLXKW-UHFFFAOYSA-N 1 2 365.268 2.125 20 30 FEEDLO C#CCOc1cccc(NC(=O)N2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000108519684 543292664 /nfs/dbraw/zinc/29/26/64/543292664.db2.gz NQXSCIOXCCKNAR-UHFFFAOYSA-N 1 2 350.422 2.443 20 30 FEEDLO C=CC[N@@H+](C[C@@H](O)c1ccc(Br)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000108871197 543306706 /nfs/dbraw/zinc/30/67/06/543306706.db2.gz BSWLAQXWPKBCLI-HUUCEWRRSA-N 1 2 374.300 2.158 20 30 FEEDLO C=CC[N@H+](C[C@@H](O)c1ccc(Br)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000108871197 543306709 /nfs/dbraw/zinc/30/67/09/543306709.db2.gz BSWLAQXWPKBCLI-HUUCEWRRSA-N 1 2 374.300 2.158 20 30 FEEDLO COC(=O)CCCc1nc(CO[NH+]=C(N)Cc2ccccc2Cl)no1 ZINC000111177029 543384189 /nfs/dbraw/zinc/38/41/89/543384189.db2.gz VFZKOZHANLOABI-UHFFFAOYSA-N 1 2 366.805 2.250 20 30 FEEDLO CNC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000111263612 543389900 /nfs/dbraw/zinc/38/99/00/543389900.db2.gz WOBXUNCOSOEFKG-ZDUSSCGKSA-N 1 2 374.510 2.285 20 30 FEEDLO CNC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000111263612 543389903 /nfs/dbraw/zinc/38/99/03/543389903.db2.gz WOBXUNCOSOEFKG-ZDUSSCGKSA-N 1 2 374.510 2.285 20 30 FEEDLO COCC[NH+]1CCN(C(=O)c2occc2COc2cccc(C#N)c2)CC1 ZINC000112913493 543467375 /nfs/dbraw/zinc/46/73/75/543467375.db2.gz KBUWGKZLFVEJJJ-UHFFFAOYSA-N 1 2 369.421 2.134 20 30 FEEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN(CC(F)(F)C(F)F)CC1 ZINC000114492041 543521610 /nfs/dbraw/zinc/52/16/10/543521610.db2.gz LDRXGXQDHAZPLE-CYBMUJFWSA-N 1 2 353.404 2.318 20 30 FEEDLO C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)c1ccc(C#N)nc1 ZINC000115060135 543550766 /nfs/dbraw/zinc/55/07/66/543550766.db2.gz DQTRUZLLPXWCIT-QGZVFWFLSA-N 1 2 364.449 2.316 20 30 FEEDLO CCCCN(C)C(=O)C1CC[NH+]([C@@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000115536515 543572134 /nfs/dbraw/zinc/57/21/34/543572134.db2.gz BIVGRVSQUPROJY-GOSISDBHSA-N 1 2 356.470 2.055 20 30 FEEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCc2cccc(Br)c2C1 ZINC000118410782 543651308 /nfs/dbraw/zinc/65/13/08/543651308.db2.gz SCYQPRTTYCXBGA-LLVKDONJSA-N 1 2 366.259 2.208 20 30 FEEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCc2cccc(Br)c2C1 ZINC000118410782 543651311 /nfs/dbraw/zinc/65/13/11/543651311.db2.gz SCYQPRTTYCXBGA-LLVKDONJSA-N 1 2 366.259 2.208 20 30 FEEDLO Cc1nn(CCC#N)c(C)c1CCC(=O)NCCCNc1cccc[nH+]1 ZINC000118724085 543657229 /nfs/dbraw/zinc/65/72/29/543657229.db2.gz LHEPKHWRUIYFRB-UHFFFAOYSA-N 1 2 354.458 2.360 20 30 FEEDLO COc1cc(C#N)ccc1OCC[NH+]1CCN(Cc2cccnc2)CC1 ZINC000125322916 543875048 /nfs/dbraw/zinc/87/50/48/543875048.db2.gz UJHIKTXUHSJWNW-UHFFFAOYSA-N 1 2 352.438 2.158 20 30 FEEDLO COc1cc(C#N)ccc1OCCN1CC[NH+](Cc2cccnc2)CC1 ZINC000125322916 543875051 /nfs/dbraw/zinc/87/50/51/543875051.db2.gz UJHIKTXUHSJWNW-UHFFFAOYSA-N 1 2 352.438 2.158 20 30 FEEDLO C[C@@](C#N)(NC(=O)C[NH+]1CCC(C(=O)c2ccc(O)cc2)CC1)C1CC1 ZINC000127759792 544012174 /nfs/dbraw/zinc/01/21/74/544012174.db2.gz KQJPDSKUCWIGOV-FQEVSTJZSA-N 1 2 355.438 2.095 20 30 FEEDLO Cc1cccc(S(=O)(=O)N2CC[NH+](CCc3ccccc3)CC2)c1C#N ZINC000130832381 544166831 /nfs/dbraw/zinc/16/68/31/544166831.db2.gz ZNWRRQVRHICEOC-UHFFFAOYSA-N 1 2 369.490 2.416 20 30 FEEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+](CC(N)=O)C(C)(C)C ZINC000131335447 544186261 /nfs/dbraw/zinc/18/62/61/544186261.db2.gz KABCDXZYKCDVFV-CYBMUJFWSA-N 1 2 362.499 2.463 20 30 FEEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](CC(N)=O)C(C)(C)C ZINC000131335447 544186263 /nfs/dbraw/zinc/18/62/63/544186263.db2.gz KABCDXZYKCDVFV-CYBMUJFWSA-N 1 2 362.499 2.463 20 30 FEEDLO Cc1nc(CO[NH+]=C(N)CN2CCOCC2)oc1-c1ccc(Cl)cc1 ZINC000132227048 544223798 /nfs/dbraw/zinc/22/37/98/544223798.db2.gz BSDMXZMRDUQWII-UHFFFAOYSA-N 1 2 364.833 2.424 20 30 FEEDLO C=C(C)COCCNC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000135000262 544330774 /nfs/dbraw/zinc/33/07/74/544330774.db2.gz ZMWNEXNCQTZVNZ-HOTGVXAUSA-N 1 2 362.474 2.087 20 30 FEEDLO Cc1cc(C)n(-c2ccc(C(N)=[NH+]OCc3nnc(C(C)C)o3)cn2)n1 ZINC000136642649 544375709 /nfs/dbraw/zinc/37/57/09/544375709.db2.gz GDVPCDZAQMCOGH-UHFFFAOYSA-N 1 2 355.402 2.228 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)c(F)c1 ZINC000150991202 544493928 /nfs/dbraw/zinc/49/39/28/544493928.db2.gz DTWKPOOOKIGIEY-UHFFFAOYSA-N 1 2 359.426 2.204 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)NCc2cn3cc(Cl)ccc3[nH+]2)c(F)c1 ZINC000151049332 544499371 /nfs/dbraw/zinc/49/93/71/544499371.db2.gz NDQOUOYTXKXKMX-UHFFFAOYSA-N 1 2 364.789 2.477 20 30 FEEDLO C#CCSCCNC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1OC ZINC000154778497 544948834 /nfs/dbraw/zinc/94/88/34/544948834.db2.gz HKHCTGZEZJFFTQ-INIZCTEOSA-N 1 2 358.467 2.184 20 30 FEEDLO Cc1ccc(C#N)cc1S(=O)(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186119253 327947694 /nfs/dbraw/zinc/94/76/94/327947694.db2.gz RQPDZSYKDKJJAE-UHFFFAOYSA-N 1 2 356.451 2.163 20 30 FEEDLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)c2cccc(C#N)c2)CC1 ZINC000186605954 327970390 /nfs/dbraw/zinc/97/03/90/327970390.db2.gz DFQHSQQIEIGFPK-UHFFFAOYSA-N 1 2 362.433 2.475 20 30 FEEDLO Cc1cccc([C@H](CNC(=O)c2ccc(C#N)c(O)c2)[NH+]2CCOCC2)c1 ZINC000190511471 328212783 /nfs/dbraw/zinc/21/27/83/328212783.db2.gz VIMSKJBKQNMKMZ-IBGZPJMESA-N 1 2 365.433 2.376 20 30 FEEDLO N#Cc1ccc(N2CC[NH+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC2)nc1 ZINC000193675772 328389109 /nfs/dbraw/zinc/38/91/09/328389109.db2.gz OBHKFVNWQMTCGZ-UHFFFAOYSA-N 1 2 368.353 2.092 20 30 FEEDLO N#Cc1ccc(OCC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000022517388 324399461 /nfs/dbraw/zinc/39/94/61/324399461.db2.gz JNSCQTKOZASKFH-UHFFFAOYSA-N 1 2 351.406 2.408 20 30 FEEDLO CC[C@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000029445017 324447845 /nfs/dbraw/zinc/44/78/45/324447845.db2.gz XXNVZGDMHOOGQJ-AEFFLSMTSA-N 1 2 355.486 2.255 20 30 FEEDLO COc1ccc(C(=O)N2CC[NH+](CCOc3ccccc3C#N)CC2)cc1 ZINC000060467315 324849107 /nfs/dbraw/zinc/84/91/07/324849107.db2.gz IZHDWWQMTIFYHV-UHFFFAOYSA-N 1 2 365.433 2.404 20 30 FEEDLO Cc1n[nH]c(C)c1NC(=O)C[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000104963164 325552375 /nfs/dbraw/zinc/55/23/75/325552375.db2.gz BEPDTWUEVIKQLQ-UHFFFAOYSA-N 1 2 353.426 2.380 20 30 FEEDLO Cc1oc(NC(=O)CN2CCN(c3cc(C)cc[nH+]3)CC2)c(C#N)c1C ZINC000120000239 326220358 /nfs/dbraw/zinc/22/03/58/326220358.db2.gz CJMLVNRMGYZQAM-UHFFFAOYSA-N 1 2 353.426 2.232 20 30 FEEDLO COc1cc(C#N)ccc1C[NH+]1CCN(Cc2nccn2C(F)F)CC1 ZINC000121468768 326340976 /nfs/dbraw/zinc/34/09/76/326340976.db2.gz QJIGFROFGKNABP-UHFFFAOYSA-N 1 2 361.396 2.476 20 30 FEEDLO N#Cc1ccc(C[N@H+]2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)o1 ZINC000121696776 326359022 /nfs/dbraw/zinc/35/90/22/326359022.db2.gz YQGJTUKLUNSJGK-UHFFFAOYSA-N 1 2 363.414 2.187 20 30 FEEDLO N#Cc1ccc(C[N@@H+]2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)o1 ZINC000121696776 326359024 /nfs/dbraw/zinc/35/90/24/326359024.db2.gz YQGJTUKLUNSJGK-UHFFFAOYSA-N 1 2 363.414 2.187 20 30 FEEDLO N#Cc1ccc(Oc2ccc(OC[C@H](O)C[NH+]3CCOCC3)cc2)cc1 ZINC000155488423 326789916 /nfs/dbraw/zinc/78/99/16/326789916.db2.gz YRDAFNOWWUDZQC-QGZVFWFLSA-N 1 2 354.406 2.422 20 30 FEEDLO N#Cc1cc(F)ccc1S(=O)(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000156426549 326830763 /nfs/dbraw/zinc/83/07/63/326830763.db2.gz LWJNFSMFRFFNGG-UHFFFAOYSA-N 1 2 370.409 2.421 20 30 FEEDLO Cc1cccc(NC(=O)C(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1C#N ZINC000168500415 327086750 /nfs/dbraw/zinc/08/67/50/327086750.db2.gz IOGYSCBYLIWTEY-HNNXBMFYSA-N 1 2 365.437 2.020 20 30 FEEDLO CC(C)(C)OC(=O)NC[C@@H]1CC[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000170648385 327090663 /nfs/dbraw/zinc/09/06/63/327090663.db2.gz LCLJJLGCALJMJQ-LBPRGKRZSA-N 1 2 364.471 2.405 20 30 FEEDLO CC(C)(C)OC(=O)NC[C@@H]1CC[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000170648385 327090665 /nfs/dbraw/zinc/09/06/65/327090665.db2.gz LCLJJLGCALJMJQ-LBPRGKRZSA-N 1 2 364.471 2.405 20 30 FEEDLO N#Cc1ccc(-c2nnc(C[NH+]3CCN(c4ccc(C#N)cn4)CC3)o2)cc1 ZINC000173559968 327266586 /nfs/dbraw/zinc/26/65/86/327266586.db2.gz IXOURQPGQXAWFZ-UHFFFAOYSA-N 1 2 371.404 2.197 20 30 FEEDLO N#Cc1ccc(F)c(CNC(=O)NCc2cccnc2-n2cc[nH+]c2)c1 ZINC000174902437 327359723 /nfs/dbraw/zinc/35/97/23/327359723.db2.gz PJLLMOBFVRBGKP-UHFFFAOYSA-N 1 2 350.357 2.277 20 30 FEEDLO COc1ccccc1[C@@H]1C[NH2+]CCN1S(=O)(=O)c1ccc(C#N)c(C)c1 ZINC000262236005 328853439 /nfs/dbraw/zinc/85/34/39/328853439.db2.gz HIXRWGNWQFLELX-SFHVURJKSA-N 1 2 371.462 2.211 20 30 FEEDLO COc1cc(C[NH+]2CCN(c3ncccc3C#N)CC2)cc(OC)c1OC ZINC000267225568 329304289 /nfs/dbraw/zinc/30/42/89/329304289.db2.gz DVXIODSGMACFNV-UHFFFAOYSA-N 1 2 368.437 2.301 20 30 FEEDLO N#Cc1ccc(Cl)c(NC(=O)C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000268054023 329380851 /nfs/dbraw/zinc/38/08/51/329380851.db2.gz MPYVATGEGLKPMP-UHFFFAOYSA-N 1 2 357.801 2.279 20 30 FEEDLO CC1(C2CC[NH+]([C@@H]3CCN(c4sccc4C#N)C3=O)CC2)OCCO1 ZINC000268505997 329428188 /nfs/dbraw/zinc/42/81/88/329428188.db2.gz WKZOSINDGLZVNP-OAHLLOKOSA-N 1 2 361.467 2.200 20 30 FEEDLO N#Cc1ccnc(N2CC[NH+](Cc3cccc4c3OCCCO4)CC2)c1 ZINC000271050280 329657412 /nfs/dbraw/zinc/65/74/12/329657412.db2.gz VKZCYVJGPUWWOM-UHFFFAOYSA-N 1 2 350.422 2.437 20 30 FEEDLO C[C@@H]1C[C@H](CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCO1 ZINC000271714211 329717982 /nfs/dbraw/zinc/71/79/82/329717982.db2.gz WQINKTJOXMVAHP-VQIMIIECSA-N 1 2 356.470 2.201 20 30 FEEDLO N#Cc1ccc(N2CCC[C@@H]([NH2+][C@@H](C(N)=O)c3ccc(F)cc3)C2=O)cc1 ZINC000272425699 329780186 /nfs/dbraw/zinc/78/01/86/329780186.db2.gz IRPSKCCHUGLCHL-QZTJIDSGSA-N 1 2 366.396 2.009 20 30 FEEDLO COCC[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)[C@@H]1CCCSC1 ZINC000433186793 330275637 /nfs/dbraw/zinc/27/56/37/330275637.db2.gz LFJWLSNGEFRCKN-MRXNPFEDSA-N 1 2 368.524 2.176 20 30 FEEDLO COCC[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)[C@@H]1CCCSC1 ZINC000433186793 330275638 /nfs/dbraw/zinc/27/56/38/330275638.db2.gz LFJWLSNGEFRCKN-MRXNPFEDSA-N 1 2 368.524 2.176 20 30 FEEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1C[C@H](O)c1cccc(Cl)c1 ZINC000155555143 545542778 /nfs/dbraw/zinc/54/27/78/545542778.db2.gz NTDWJUPIYBHEMQ-DYVFJYSZSA-N 1 2 357.845 2.246 20 30 FEEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1C[C@H](O)c1cccc(Cl)c1 ZINC000155555143 545542781 /nfs/dbraw/zinc/54/27/81/545542781.db2.gz NTDWJUPIYBHEMQ-DYVFJYSZSA-N 1 2 357.845 2.246 20 30 FEEDLO N#CCSc1ccccc1NC(=O)C[NH+]1CCC(Cn2ccnn2)CC1 ZINC000155987055 545589927 /nfs/dbraw/zinc/58/99/27/545589927.db2.gz WKINGULAZXOFIM-UHFFFAOYSA-N 1 2 370.482 2.244 20 30 FEEDLO C=CCn1c(=O)c2ccc(C(=O)N3CCC[C@@H]([C@@H](C)[NH3+])C3)cc2[nH]c1=S ZINC000156370016 545622533 /nfs/dbraw/zinc/62/25/33/545622533.db2.gz ZNVXTJCTVPDUFP-TZMCWYRMSA-N 1 2 372.494 2.071 20 30 FEEDLO CC[N@H+](Cc1ccc(C(=O)N(C)C)cc1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000156531118 545633519 /nfs/dbraw/zinc/63/35/19/545633519.db2.gz HYUJPXJNNSRCER-IBGZPJMESA-N 1 2 364.449 2.309 20 30 FEEDLO CC[N@@H+](Cc1ccc(C(=O)N(C)C)cc1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000156531118 545633523 /nfs/dbraw/zinc/63/35/23/545633523.db2.gz HYUJPXJNNSRCER-IBGZPJMESA-N 1 2 364.449 2.309 20 30 FEEDLO C[C@H](NC(=O)c1ccc(COc2ccc(C#N)cc2)o1)[C@@H]1C[N@H+](C)CCO1 ZINC000156803779 545664577 /nfs/dbraw/zinc/66/45/77/545664577.db2.gz CRVMGLNKHCMKRR-LIRRHRJNSA-N 1 2 369.421 2.179 20 30 FEEDLO C[C@H](NC(=O)c1ccc(COc2ccc(C#N)cc2)o1)[C@@H]1C[N@@H+](C)CCO1 ZINC000156803779 545664585 /nfs/dbraw/zinc/66/45/85/545664585.db2.gz CRVMGLNKHCMKRR-LIRRHRJNSA-N 1 2 369.421 2.179 20 30 FEEDLO Cc1oc(NC(=O)[C@@H](C)N2CCCC[C@@H]2C[NH+]2CCOCC2)c(C#N)c1C ZINC000157015831 545688543 /nfs/dbraw/zinc/68/85/43/545688543.db2.gz VTZBAIJYLIKTIH-NVXWUHKLSA-N 1 2 374.485 2.282 20 30 FEEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCCC[C@@H]2CN2CCOCC2)c(C#N)c1C ZINC000157015831 545688549 /nfs/dbraw/zinc/68/85/49/545688549.db2.gz VTZBAIJYLIKTIH-NVXWUHKLSA-N 1 2 374.485 2.282 20 30 FEEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCCC[C@@H]2CN2CCOCC2)c(C#N)c1C ZINC000157015831 545688552 /nfs/dbraw/zinc/68/85/52/545688552.db2.gz VTZBAIJYLIKTIH-NVXWUHKLSA-N 1 2 374.485 2.282 20 30 FEEDLO N#Cc1ccc(NC(=O)CC[N@@H+]2CCOC[C@H]2CC(=O)c2ccco2)cc1 ZINC000158206570 545834886 /nfs/dbraw/zinc/83/48/86/545834886.db2.gz WYNMFGJSEONDBE-QGZVFWFLSA-N 1 2 367.405 2.454 20 30 FEEDLO N#Cc1ccc(NC(=O)CC[N@H+]2CCOC[C@H]2CC(=O)c2ccco2)cc1 ZINC000158206570 545834893 /nfs/dbraw/zinc/83/48/93/545834893.db2.gz WYNMFGJSEONDBE-QGZVFWFLSA-N 1 2 367.405 2.454 20 30 FEEDLO COc1cc2c(cc1C[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)O[C@H](C)C2 ZINC000158882650 545902525 /nfs/dbraw/zinc/90/25/25/545902525.db2.gz NRJWYERWDROVBS-BLVKFPJESA-N 1 2 351.406 2.206 20 30 FEEDLO Cc1nc(C[N@@H+](C)[C@@H]2CCCN(C(=O)c3ccc(C#N)c(O)c3)CC2)no1 ZINC000478339497 561164656 /nfs/dbraw/zinc/16/46/56/561164656.db2.gz MBXWXAHKTCHSOE-MRXNPFEDSA-N 1 2 369.425 2.082 20 30 FEEDLO Cc1nc(C[N@H+](C)[C@@H]2CCCN(C(=O)c3ccc(C#N)c(O)c3)CC2)no1 ZINC000478339497 561164657 /nfs/dbraw/zinc/16/46/57/561164657.db2.gz MBXWXAHKTCHSOE-MRXNPFEDSA-N 1 2 369.425 2.082 20 30 FEEDLO N#Cc1cccc(OC2CCN(C(=O)[C@H]3CCn4cc[nH+]c4C3)CC2)c1 ZINC000161425966 546128553 /nfs/dbraw/zinc/12/85/53/546128553.db2.gz ZHEIREVIRTXOMT-INIZCTEOSA-N 1 2 350.422 2.387 20 30 FEEDLO COc1cc(/C=C/C(=O)N(C)CCCn2cc[nH+]c2)ccc1OCC#N ZINC000161691854 546132561 /nfs/dbraw/zinc/13/25/61/546132561.db2.gz HZIHZMQAJCFJEL-FNORWQNLSA-N 1 2 354.410 2.356 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000162596166 546140201 /nfs/dbraw/zinc/14/02/01/546140201.db2.gz MQKMXENNWZDBBR-DOTOQJQBSA-N 1 2 363.408 2.143 20 30 FEEDLO N#CCCC[NH+]1CCN(CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000165394897 546153676 /nfs/dbraw/zinc/15/36/76/546153676.db2.gz XLLUOZRNSAFRKR-UHFFFAOYSA-N 1 2 365.275 2.309 20 30 FEEDLO N#Cc1ccc(CNC(=O)N2CC[NH+](Cc3ccncc3)CC2)c(F)c1 ZINC000170936992 546183222 /nfs/dbraw/zinc/18/32/22/546183222.db2.gz RSEAELXXCHVUIR-UHFFFAOYSA-N 1 2 353.401 2.120 20 30 FEEDLO C=CC[NH+]1CCC(NC(=O)c2ccccc2S(=O)(=O)C(C)C)CC1 ZINC000171718841 546220434 /nfs/dbraw/zinc/22/04/34/546220434.db2.gz XFKASCCACLOBEJ-UHFFFAOYSA-N 1 2 350.484 2.249 20 30 FEEDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)C3(C#N)CCOCC3)CC2)c1 ZINC000171764489 546224288 /nfs/dbraw/zinc/22/42/88/546224288.db2.gz UPYFDZMMDRVZMR-INIZCTEOSA-N 1 2 357.454 2.221 20 30 FEEDLO C[C@@H]([NH2+]Cc1nnc2n1CCCC2)C(=O)N(CCC#N)c1ccccc1 ZINC000173638410 546284607 /nfs/dbraw/zinc/28/46/07/546284607.db2.gz WNSVSQUGSIGRJJ-OAHLLOKOSA-N 1 2 352.442 2.039 20 30 FEEDLO Cc1cc(N2CC[C@@H](O[NH+]=C(N)Cc3ccccc3Cl)C2=O)n(C)n1 ZINC000174125757 546291316 /nfs/dbraw/zinc/29/13/16/546291316.db2.gz WDWPCQNHHQJHDV-CQSZACIVSA-N 1 2 361.833 2.019 20 30 FEEDLO COc1ccc([C@H](C)CC(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1 ZINC000175970512 546381462 /nfs/dbraw/zinc/38/14/62/546381462.db2.gz PHZKILJTZDRJHB-QGZVFWFLSA-N 1 2 359.470 2.263 20 30 FEEDLO Cn1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CNc2ccc(C#N)cc2[N+](=O)[O-])cn1 ZINC000480213942 561205101 /nfs/dbraw/zinc/20/51/01/561205101.db2.gz MWSVBGLTSLXJSL-GJZGRUSLSA-N 1 2 358.377 2.224 20 30 FEEDLO Cn1cc(C[N@H+]2C[C@@H](F)C[C@H]2CNc2ccc(C#N)cc2[N+](=O)[O-])cn1 ZINC000480213942 561205102 /nfs/dbraw/zinc/20/51/02/561205102.db2.gz MWSVBGLTSLXJSL-GJZGRUSLSA-N 1 2 358.377 2.224 20 30 FEEDLO CCCNC(=O)C1CC[NH+](CC(=O)Nc2sc(C)c(C)c2C#N)CC1 ZINC000177001095 546522106 /nfs/dbraw/zinc/52/21/06/546522106.db2.gz FRRQYEAXJRCCDZ-UHFFFAOYSA-N 1 2 362.499 2.413 20 30 FEEDLO C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCCNc2cccc[nH+]2)cc1 ZINC000481010924 561222921 /nfs/dbraw/zinc/22/29/21/561222921.db2.gz JYCZUAXMCKWKAA-CYBMUJFWSA-N 1 2 373.438 2.001 20 30 FEEDLO Cc1c(C#N)cccc1NC(=O)C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000178448516 546795688 /nfs/dbraw/zinc/79/56/88/546795688.db2.gz ILAXUSOQNGMXBU-UHFFFAOYSA-N 1 2 368.462 2.041 20 30 FEEDLO Cc1c(C#N)cccc1NC(=O)C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000178448516 546795693 /nfs/dbraw/zinc/79/56/93/546795693.db2.gz ILAXUSOQNGMXBU-UHFFFAOYSA-N 1 2 368.462 2.041 20 30 FEEDLO C#CCNC(=O)[C@H](C)[N@H+](CC)CC(=O)Nc1c(Cl)cccc1Cl ZINC000179190704 546912290 /nfs/dbraw/zinc/91/22/90/546912290.db2.gz NUEGKXFVXXSOKF-NSHDSACASA-N 1 2 356.253 2.392 20 30 FEEDLO C#CCNC(=O)[C@H](C)[N@@H+](CC)CC(=O)Nc1c(Cl)cccc1Cl ZINC000179190704 546912291 /nfs/dbraw/zinc/91/22/91/546912291.db2.gz NUEGKXFVXXSOKF-NSHDSACASA-N 1 2 356.253 2.392 20 30 FEEDLO C=CC[N@@H+](Cc1ccc(C(=O)OC(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000179236533 546918399 /nfs/dbraw/zinc/91/83/99/546918399.db2.gz SOLXYHDUNPWJKL-QGZVFWFLSA-N 1 2 351.468 2.427 20 30 FEEDLO C=CC[N@H+](Cc1ccc(C(=O)OC(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000179236533 546918403 /nfs/dbraw/zinc/91/84/03/546918403.db2.gz SOLXYHDUNPWJKL-QGZVFWFLSA-N 1 2 351.468 2.427 20 30 FEEDLO CC(C)(CCC#N)C[NH+]1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000179759650 547009869 /nfs/dbraw/zinc/00/98/69/547009869.db2.gz CWPUBPGPMPVKKZ-UHFFFAOYSA-N 1 2 360.483 2.195 20 30 FEEDLO C=CC[N@@H+](Cc1cn(C)nc1-c1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000179819616 547017380 /nfs/dbraw/zinc/01/73/80/547017380.db2.gz DHQDBGPQPNSSHG-CQSZACIVSA-N 1 2 351.497 2.324 20 30 FEEDLO C=CC[N@H+](Cc1cn(C)nc1-c1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000179819616 547017385 /nfs/dbraw/zinc/01/73/85/547017385.db2.gz DHQDBGPQPNSSHG-CQSZACIVSA-N 1 2 351.497 2.324 20 30 FEEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+](C)C[C@H](O)C(F)(F)F ZINC000181337251 547295911 /nfs/dbraw/zinc/29/59/11/547295911.db2.gz GNYOMVSIDIZNAY-WFASDCNBSA-N 1 2 373.375 2.185 20 30 FEEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+](C)C[C@H](O)C(F)(F)F ZINC000181337251 547295915 /nfs/dbraw/zinc/29/59/15/547295915.db2.gz GNYOMVSIDIZNAY-WFASDCNBSA-N 1 2 373.375 2.185 20 30 FEEDLO Cc1ccc([C@@H](CNC(=O)N2CCC(F)(C#N)CC2)[NH+]2CCOCC2)cc1 ZINC000484446964 561297978 /nfs/dbraw/zinc/29/79/78/561297978.db2.gz ZKINVYUBCTWORB-GOSISDBHSA-N 1 2 374.460 2.406 20 30 FEEDLO Cc1ccc([C@@H](CNC(=O)c2cc(C#N)ccn2)[NH+]2CCOCC2)cc1 ZINC000485626527 561324272 /nfs/dbraw/zinc/32/42/72/561324272.db2.gz BWWYICGQDYBEGE-LJQANCHMSA-N 1 2 350.422 2.065 20 30 FEEDLO N#CCCN(CC(F)(F)F)S(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000486006811 561335104 /nfs/dbraw/zinc/33/51/04/561335104.db2.gz OOKKCZCUUHDRDK-UHFFFAOYSA-N 1 2 372.372 2.398 20 30 FEEDLO C=C[C@](C)(CC)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000188395174 548278620 /nfs/dbraw/zinc/27/86/20/548278620.db2.gz DAACKYNMDLMORX-OXJNMPFZSA-N 1 2 373.501 2.001 20 30 FEEDLO C=C[C@](C)(CC)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000188395174 548278625 /nfs/dbraw/zinc/27/86/25/548278625.db2.gz DAACKYNMDLMORX-OXJNMPFZSA-N 1 2 373.501 2.001 20 30 FEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN(C(=O)NC2CCCCC2)CC1 ZINC000192633208 548369285 /nfs/dbraw/zinc/36/92/85/548369285.db2.gz GWTWTMNGYURXJM-QGZVFWFLSA-N 1 2 362.518 2.235 20 30 FEEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)Nc1ccc(C#N)c(Br)c1 ZINC000487892157 561378061 /nfs/dbraw/zinc/37/80/61/561378061.db2.gz FHVPJVHDUPOMPX-NSHDSACASA-N 1 2 367.247 2.163 20 30 FEEDLO C[C@H]1COCC[N@H+]1CCNC(=O)Nc1ccc(C#N)c(Br)c1 ZINC000487892157 561378062 /nfs/dbraw/zinc/37/80/62/561378062.db2.gz FHVPJVHDUPOMPX-NSHDSACASA-N 1 2 367.247 2.163 20 30 FEEDLO COC(=O)[C@H](NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1)c1cccc(C#N)c1 ZINC000246391770 549123473 /nfs/dbraw/zinc/12/34/73/549123473.db2.gz IYBAMOHNODLOOS-RLFYNMQTSA-N 1 2 359.470 2.250 20 30 FEEDLO COc1cc(C)cnc1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000488579290 561392340 /nfs/dbraw/zinc/39/23/40/561392340.db2.gz HVGAUNIRYACKEG-UHFFFAOYSA-N 1 2 350.422 2.228 20 30 FEEDLO Cc1sc(NC(=O)C[N@@H+]2CCS[C@@H]3COCC[C@H]32)c(C#N)c1C ZINC000246760563 549206794 /nfs/dbraw/zinc/20/67/94/549206794.db2.gz HRLPHQYCFYNVFF-ZIAGYGMSSA-N 1 2 351.497 2.381 20 30 FEEDLO Cc1sc(NC(=O)C[N@H+]2CCS[C@@H]3COCC[C@H]32)c(C#N)c1C ZINC000246760563 549206798 /nfs/dbraw/zinc/20/67/98/549206798.db2.gz HRLPHQYCFYNVFF-ZIAGYGMSSA-N 1 2 351.497 2.381 20 30 FEEDLO N#Cc1cc(S(=O)(=O)NCc2ccccc2Cn2cc[nH+]c2)ccc1F ZINC000488848206 561398173 /nfs/dbraw/zinc/39/81/73/561398173.db2.gz AGKTXSAQJWNUPW-UHFFFAOYSA-N 1 2 370.409 2.421 20 30 FEEDLO C=CCn1cccc1C(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000488976920 561400868 /nfs/dbraw/zinc/40/08/68/561400868.db2.gz KMQCFEOLURFITM-LJQANCHMSA-N 1 2 353.466 2.347 20 30 FEEDLO C#CCNC(=O)c1ccccc1NC(=O)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000247743854 549376435 /nfs/dbraw/zinc/37/64/35/549376435.db2.gz PEURJWQSRXOFJB-INIZCTEOSA-N 1 2 362.433 2.300 20 30 FEEDLO C=CCCCS(=O)(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000489817568 561419581 /nfs/dbraw/zinc/41/95/81/561419581.db2.gz GSBVVLGHSOAXIF-QGZVFWFLSA-N 1 2 354.541 2.490 20 30 FEEDLO C=CCCCS(=O)(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000489817568 561419582 /nfs/dbraw/zinc/41/95/82/561419582.db2.gz GSBVVLGHSOAXIF-QGZVFWFLSA-N 1 2 354.541 2.490 20 30 FEEDLO CCc1ccc([C@@H](C#N)NC(=O)c2ccc(C[NH+]3CCOCC3)cn2)cc1 ZINC000489965400 561423563 /nfs/dbraw/zinc/42/35/63/561423563.db2.gz UQTGOUKOJUFTPP-HXUWFJFHSA-N 1 2 364.449 2.471 20 30 FEEDLO COCC[N@H+](CC(=O)N(CCC#N)c1cc(C)cc(C)c1)[C@@H]1CCOC1 ZINC000490071615 561425746 /nfs/dbraw/zinc/42/57/46/561425746.db2.gz JFXUAETXQOYMKF-GOSISDBHSA-N 1 2 359.470 2.287 20 30 FEEDLO COCC[N@@H+](CC(=O)N(CCC#N)c1cc(C)cc(C)c1)[C@@H]1CCOC1 ZINC000490071615 561425747 /nfs/dbraw/zinc/42/57/47/561425747.db2.gz JFXUAETXQOYMKF-GOSISDBHSA-N 1 2 359.470 2.287 20 30 FEEDLO C=CC[C@H](C(=O)N[C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O)c1ccccc1 ZINC000490270994 561430053 /nfs/dbraw/zinc/43/00/53/561430053.db2.gz MLIZUJHFPKOXHA-ZWKOTPCHSA-N 1 2 366.465 2.387 20 30 FEEDLO CC(C)(C#N)c1ccc(NC(=O)C(=O)NCc2cn3c([nH+]2)CCCC3)cc1 ZINC000263781286 549936212 /nfs/dbraw/zinc/93/62/12/549936212.db2.gz PMPDMANGUXOJJW-UHFFFAOYSA-N 1 2 365.437 2.275 20 30 FEEDLO C=CCn1c(=O)c2ccc(C(=O)N3CCC[C@H]3C[NH+](C)C)cc2[nH]c1=S ZINC000263905294 549953564 /nfs/dbraw/zinc/95/35/64/549953564.db2.gz FZHHSFGDLNHASE-AWEZNQCLSA-N 1 2 372.494 2.037 20 30 FEEDLO N#Cc1ccc(Oc2cccc(C(=O)NCC[NH+]3CCOCC3)c2)cc1 ZINC000264125829 549981828 /nfs/dbraw/zinc/98/18/28/549981828.db2.gz ODKDGKKHEJDSKA-UHFFFAOYSA-N 1 2 351.406 2.413 20 30 FEEDLO N#CCOc1ccc(C[NH+]2CCN(CC(=O)NC3CCCCC3)CC2)cc1 ZINC000264555580 549998061 /nfs/dbraw/zinc/99/80/61/549998061.db2.gz MNOJIRGRTMUYJH-UHFFFAOYSA-N 1 2 370.497 2.155 20 30 FEEDLO CC(C)CO[C@H](C)C(N)=[NH+]OCCCOc1ccc(S(C)(=O)=O)cc1 ZINC000266175326 550017863 /nfs/dbraw/zinc/01/78/63/550017863.db2.gz DKUAEAOBFFMKOL-CQSZACIVSA-N 1 2 372.487 2.209 20 30 FEEDLO C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000491582081 561446676 /nfs/dbraw/zinc/44/66/76/561446676.db2.gz TZFMUELSKDPQGH-MLGOLLRUSA-N 1 2 371.828 2.456 20 30 FEEDLO CC#CCN(C)C(=O)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000492093716 561449194 /nfs/dbraw/zinc/44/91/94/561449194.db2.gz HTGWMZXXPVZKND-UHFFFAOYSA-N 1 2 350.422 2.307 20 30 FEEDLO COc1ccc([C@H](CO)[N@H+](C)CC(=O)Nc2oc(C)c(C)c2C#N)cc1 ZINC000269456018 550197738 /nfs/dbraw/zinc/19/77/38/550197738.db2.gz QVWNOBKNAGNANC-KRWDZBQOSA-N 1 2 357.410 2.381 20 30 FEEDLO COc1ccc([C@H](CO)[N@@H+](C)CC(=O)Nc2oc(C)c(C)c2C#N)cc1 ZINC000269456018 550197739 /nfs/dbraw/zinc/19/77/39/550197739.db2.gz QVWNOBKNAGNANC-KRWDZBQOSA-N 1 2 357.410 2.381 20 30 FEEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000271277896 550360335 /nfs/dbraw/zinc/36/03/35/550360335.db2.gz OVRNERZMBQFVCZ-AWEZNQCLSA-N 1 2 354.433 2.264 20 30 FEEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000271277896 550360338 /nfs/dbraw/zinc/36/03/38/550360338.db2.gz OVRNERZMBQFVCZ-AWEZNQCLSA-N 1 2 354.433 2.264 20 30 FEEDLO Cc1ccc2c(c1)c(=O)n(C)c1nnc(C[NH+]3CCC(C)(C#N)CC3)n12 ZINC000272558419 550457687 /nfs/dbraw/zinc/45/76/87/550457687.db2.gz LJRSFQZPDNFVJW-UHFFFAOYSA-N 1 2 350.426 2.015 20 30 FEEDLO C=CCS(=O)(=O)CC[NH2+][C@@H](C)c1nnn(-c2cccc(Cl)c2)c1C ZINC000272903605 550476283 /nfs/dbraw/zinc/47/62/83/550476283.db2.gz VMFMGPALAWFPFE-LBPRGKRZSA-N 1 2 368.890 2.481 20 30 FEEDLO CO[C@H](C)c1noc(C[N@@H+]2CCCN(c3nccc(C)c3C#N)CC2)n1 ZINC000273405532 550497377 /nfs/dbraw/zinc/49/73/77/550497377.db2.gz WUXYFNCVOLQGFT-CQSZACIVSA-N 1 2 356.430 2.064 20 30 FEEDLO CO[C@H](C)c1noc(C[N@H+]2CCCN(c3nccc(C)c3C#N)CC2)n1 ZINC000273405532 550497378 /nfs/dbraw/zinc/49/73/78/550497378.db2.gz WUXYFNCVOLQGFT-CQSZACIVSA-N 1 2 356.430 2.064 20 30 FEEDLO C#CC[N@@H+](Cc1nc2cc(S(=O)(=O)N(CC)CC)ccc2[nH]1)C1CC1 ZINC000274251162 550529711 /nfs/dbraw/zinc/52/97/11/550529711.db2.gz ZSVXADPHFMOTQH-UHFFFAOYSA-N 1 2 360.483 2.191 20 30 FEEDLO C#CC[N@H+](Cc1nc2cc(S(=O)(=O)N(CC)CC)ccc2[nH]1)C1CC1 ZINC000274251162 550529712 /nfs/dbraw/zinc/52/97/12/550529712.db2.gz ZSVXADPHFMOTQH-UHFFFAOYSA-N 1 2 360.483 2.191 20 30 FEEDLO C=CCCCCNC(=O)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000274494150 550540502 /nfs/dbraw/zinc/54/05/02/550540502.db2.gz HWUIMNONCMPDAP-INIZCTEOSA-N 1 2 359.470 2.491 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)CN1CCC[C@H]1c1[nH+]c2c(n1C)CCCC2 ZINC000276128438 550577026 /nfs/dbraw/zinc/57/70/26/550577026.db2.gz YEVJFUFGDOXTJI-FXAWDEMLSA-N 1 2 357.502 2.490 20 30 FEEDLO CCOCCOCC[N@H+](C)CC(=O)Nc1ccccc1SCC#N ZINC000276275895 550577854 /nfs/dbraw/zinc/57/78/54/550577854.db2.gz QTUPQTFWUSEXLQ-UHFFFAOYSA-N 1 2 351.472 2.226 20 30 FEEDLO CCOCCOCC[N@@H+](C)CC(=O)Nc1ccccc1SCC#N ZINC000276275895 550577855 /nfs/dbraw/zinc/57/78/55/550577855.db2.gz QTUPQTFWUSEXLQ-UHFFFAOYSA-N 1 2 351.472 2.226 20 30 FEEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@@H](C)c1nncn1C ZINC000494783985 561476334 /nfs/dbraw/zinc/47/63/34/561476334.db2.gz ISAMNWKCTVSWNM-STQMWFEESA-N 1 2 358.471 2.356 20 30 FEEDLO CC(=O)NC(C)(C)C(N)=[NH+]OCc1cncc(OCc2ccccc2)c1 ZINC000278212651 550761529 /nfs/dbraw/zinc/76/15/29/550761529.db2.gz HDHBXVVSHBSUHK-UHFFFAOYSA-N 1 2 356.426 2.364 20 30 FEEDLO C=CCc1cc(C(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)cc(OC)c1OC ZINC000279070186 550853193 /nfs/dbraw/zinc/85/31/93/550853193.db2.gz FDXUBHBGGCZRHO-HNNXBMFYSA-N 1 2 362.470 2.225 20 30 FEEDLO N#CCCn1cc(C[N@H+]2CC(=O)N[C@H]3CCCC[C@H]32)c(-c2ccncc2)n1 ZINC000279402168 550886162 /nfs/dbraw/zinc/88/61/62/550886162.db2.gz MOHYAFWOUPQTNT-ZWKOTPCHSA-N 1 2 364.453 2.102 20 30 FEEDLO N#CCCn1cc(C[N@@H+]2CC(=O)N[C@H]3CCCC[C@H]32)c(-c2ccncc2)n1 ZINC000279402168 550886164 /nfs/dbraw/zinc/88/61/64/550886164.db2.gz MOHYAFWOUPQTNT-ZWKOTPCHSA-N 1 2 364.453 2.102 20 30 FEEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cnc3ccc(Br)cn23)C1=O ZINC000281150286 551068357 /nfs/dbraw/zinc/06/83/57/551068357.db2.gz FJYIDLNEODMXTO-AWEZNQCLSA-N 1 2 363.259 2.316 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cnc3ccc(Br)cn23)C1=O ZINC000281150286 551068359 /nfs/dbraw/zinc/06/83/59/551068359.db2.gz FJYIDLNEODMXTO-AWEZNQCLSA-N 1 2 363.259 2.316 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N[C@H](c2ccc(OC)cc2)C(C)C)C1=O ZINC000281327958 551085040 /nfs/dbraw/zinc/08/50/40/551085040.db2.gz LSLVYVJLCWMJMM-ICSRJNTNSA-N 1 2 373.497 2.227 20 30 FEEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N[C@H](c2ccc(OC)cc2)C(C)C)C1=O ZINC000281327958 551085042 /nfs/dbraw/zinc/08/50/42/551085042.db2.gz LSLVYVJLCWMJMM-ICSRJNTNSA-N 1 2 373.497 2.227 20 30 FEEDLO CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1ccnn1C)c1ccc([N+](=O)[O-])cc1C#N ZINC000281335619 551085931 /nfs/dbraw/zinc/08/59/31/551085931.db2.gz BAIGUFNDCJDVIO-YOEHRIQHSA-N 1 2 372.404 2.249 20 30 FEEDLO CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1ccnn1C)c1ccc([N+](=O)[O-])cc1C#N ZINC000281335619 551085932 /nfs/dbraw/zinc/08/59/32/551085932.db2.gz BAIGUFNDCJDVIO-YOEHRIQHSA-N 1 2 372.404 2.249 20 30 FEEDLO C[C@H](c1ccccc1)N(C)C(=O)C[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000497457630 561501244 /nfs/dbraw/zinc/50/12/44/561501244.db2.gz OLDQWNHQWDFKJZ-QGZVFWFLSA-N 1 2 363.465 2.295 20 30 FEEDLO CO[C@H]1CC[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)[C@@H](C)C1 ZINC000282271452 551204312 /nfs/dbraw/zinc/20/43/12/551204312.db2.gz HQXXEVRMPHASEJ-YOEHRIQHSA-N 1 2 353.426 2.182 20 30 FEEDLO CO[C@H]1CC[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)[C@@H](C)C1 ZINC000282271452 551204315 /nfs/dbraw/zinc/20/43/15/551204315.db2.gz HQXXEVRMPHASEJ-YOEHRIQHSA-N 1 2 353.426 2.182 20 30 FEEDLO Cc1nc(C#N)c(N2CCC(C(=O)Nc3cccc4[nH+]ccn43)CC2)o1 ZINC000282956783 551289856 /nfs/dbraw/zinc/28/98/56/551289856.db2.gz NUMWJOJTFSMQQR-UHFFFAOYSA-N 1 2 350.382 2.358 20 30 FEEDLO C[C@H](O[NH+]=C(N)c1ccc2c(c1)CCO2)C(=O)N1CCc2sccc2C1 ZINC000283335380 551349682 /nfs/dbraw/zinc/34/96/82/551349682.db2.gz JTPZPAJFRFJTBR-LBPRGKRZSA-N 1 2 371.462 2.293 20 30 FEEDLO CC(C)CO[C@H](C)C(N)=[NH+]O[C@@H](C)C(=O)N1CCc2sccc2C1 ZINC000283408082 551361377 /nfs/dbraw/zinc/36/13/77/551361377.db2.gz OOXVTOMFKBARFM-OLZOCXBDSA-N 1 2 353.488 2.371 20 30 FEEDLO C=CCCCN(C)C(=O)C(=O)NCc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC000284620177 551592048 /nfs/dbraw/zinc/59/20/48/551592048.db2.gz YBTXFLMGOHBNJE-UHFFFAOYSA-N 1 2 358.486 2.359 20 30 FEEDLO COc1cc[nH+]c(CN2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1OC ZINC000285557008 551774433 /nfs/dbraw/zinc/77/44/33/551774433.db2.gz RIIRNOVPGWSHBW-CYBMUJFWSA-N 1 2 362.430 2.044 20 30 FEEDLO C=CCn1c(=O)c2ccc(C(=O)NC(CC)(CC)C[NH3+])cc2[nH]c1=S ZINC000285695645 551796585 /nfs/dbraw/zinc/79/65/85/551796585.db2.gz KXCDDVIWZXEHKW-UHFFFAOYSA-N 1 2 360.483 2.119 20 30 FEEDLO COc1ccc([C@@H](CNc2cc(C#N)ccn2)[NH+]2CCOCC2)cc1OC ZINC000286268684 551867926 /nfs/dbraw/zinc/86/79/26/551867926.db2.gz WHIXAYAWVAYCDY-QGZVFWFLSA-N 1 2 368.437 2.456 20 30 FEEDLO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN(c3cc(C#N)ccn3)C2)CC1 ZINC000286558067 551899619 /nfs/dbraw/zinc/89/96/19/551899619.db2.gz PHWDYRYJLBIIQK-INIZCTEOSA-N 1 2 357.458 2.085 20 30 FEEDLO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN(c3ncccc3C#N)C2)CC1 ZINC000286619283 551906850 /nfs/dbraw/zinc/90/68/50/551906850.db2.gz UMIHSNGQVJCMLI-INIZCTEOSA-N 1 2 357.458 2.085 20 30 FEEDLO N#CC[C@@H](O)CSc1nnc(C[NH+]2CCCC2)n1Cc1ccccc1 ZINC000286958392 551944631 /nfs/dbraw/zinc/94/46/31/551944631.db2.gz BFJNQECBKFRPJU-MRXNPFEDSA-N 1 2 357.483 2.289 20 30 FEEDLO Cc1oc(NC(=O)C[N@@H+]2CC[C@@H](OCc3ccncc3)C2)c(C#N)c1C ZINC000287806249 552048824 /nfs/dbraw/zinc/04/88/24/552048824.db2.gz OUVZPHIYANZJEV-MRXNPFEDSA-N 1 2 354.410 2.393 20 30 FEEDLO Cc1oc(NC(=O)C[N@H+]2CC[C@@H](OCc3ccncc3)C2)c(C#N)c1C ZINC000287806249 552048826 /nfs/dbraw/zinc/04/88/26/552048826.db2.gz OUVZPHIYANZJEV-MRXNPFEDSA-N 1 2 354.410 2.393 20 30 FEEDLO C#C[C@H](NC(=O)[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C)C(C)(C)C ZINC000288138288 552097987 /nfs/dbraw/zinc/09/79/87/552097987.db2.gz IVFQRWDABSUCIC-UWWQBHOKSA-N 1 2 356.470 2.026 20 30 FEEDLO Cc1onc(CC(=O)Nc2ccccc2OCCn2cc[nH+]c2)c1C#N ZINC000499781019 561558256 /nfs/dbraw/zinc/55/82/56/561558256.db2.gz MUJCTPJZKFMASZ-UHFFFAOYSA-N 1 2 351.366 2.311 20 30 FEEDLO C=C(CNC(=O)NCC1([NH+]2CCOCC2)CC(OCC)C1)c1ccccc1 ZINC000288596687 552182092 /nfs/dbraw/zinc/18/20/92/552182092.db2.gz TXFSWQSTFOIUQJ-UHFFFAOYSA-N 1 2 373.497 2.269 20 30 FEEDLO C[N@H+](CCn1cc(Br)cn1)CC(=O)Nc1sccc1C#N ZINC000288790365 552213552 /nfs/dbraw/zinc/21/35/52/552213552.db2.gz LAVVNDBEZWWHOA-UHFFFAOYSA-N 1 2 368.260 2.149 20 30 FEEDLO C[N@@H+](CCn1cc(Br)cn1)CC(=O)Nc1sccc1C#N ZINC000288790365 552213554 /nfs/dbraw/zinc/21/35/54/552213554.db2.gz LAVVNDBEZWWHOA-UHFFFAOYSA-N 1 2 368.260 2.149 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)C1=O ZINC000499986330 561563481 /nfs/dbraw/zinc/56/34/81/561563481.db2.gz IMLLMZAARIXOBZ-HOTGVXAUSA-N 1 2 365.836 2.303 20 30 FEEDLO C=CCN1CC[C@H]([N@H+](C)[C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)C1=O ZINC000499986330 561563482 /nfs/dbraw/zinc/56/34/82/561563482.db2.gz IMLLMZAARIXOBZ-HOTGVXAUSA-N 1 2 365.836 2.303 20 30 FEEDLO Cc1nsc(N2CCN(Cc3[nH+]ccn3CC(F)(F)F)CC2)c1C#N ZINC000289425044 552319544 /nfs/dbraw/zinc/31/95/44/552319544.db2.gz IISYBHXUMALPPV-UHFFFAOYSA-N 1 2 370.404 2.404 20 30 FEEDLO CC(C)(C)n1ncnc1C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000500446306 561573270 /nfs/dbraw/zinc/57/32/70/561573270.db2.gz DKPLTTQHXGWAHW-UHFFFAOYSA-N 1 2 364.457 2.495 20 30 FEEDLO N#Cc1ccc(NC(=O)NCc2ccc[nH+]c2N2CCOCC2)cc1F ZINC000289719214 552367470 /nfs/dbraw/zinc/36/74/70/552367470.db2.gz JMUKTQARJFFQOQ-UHFFFAOYSA-N 1 2 355.373 2.251 20 30 FEEDLO C[C@@H]1[C@H](NC(=O)C(F)(F)F)CCC[N@@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000292177589 552701858 /nfs/dbraw/zinc/70/18/58/552701858.db2.gz QGQQTXVALLAIRS-KCPJHIHWSA-N 1 2 355.360 2.123 20 30 FEEDLO C[C@@H]1[C@H](NC(=O)C(F)(F)F)CCC[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000292177589 552701859 /nfs/dbraw/zinc/70/18/59/552701859.db2.gz QGQQTXVALLAIRS-KCPJHIHWSA-N 1 2 355.360 2.123 20 30 FEEDLO CC#CC[N@H+](C)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F ZINC000293076377 552786473 /nfs/dbraw/zinc/78/64/73/552786473.db2.gz JINVWASSXPNHBJ-AWEZNQCLSA-N 1 2 353.344 2.248 20 30 FEEDLO CC#CC[N@@H+](C)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F ZINC000293076377 552786474 /nfs/dbraw/zinc/78/64/74/552786474.db2.gz JINVWASSXPNHBJ-AWEZNQCLSA-N 1 2 353.344 2.248 20 30 FEEDLO CCOC(=O)c1csc(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)n1 ZINC000293375972 552817064 /nfs/dbraw/zinc/81/70/64/552817064.db2.gz PIICQCWJMGWPRG-CYBMUJFWSA-N 1 2 358.423 2.240 20 30 FEEDLO CCOC(=O)c1csc(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)n1 ZINC000293375972 552817066 /nfs/dbraw/zinc/81/70/66/552817066.db2.gz PIICQCWJMGWPRG-CYBMUJFWSA-N 1 2 358.423 2.240 20 30 FEEDLO C=C(C)COc1cc(C[NH+]2CC(n3cc(C(=O)OC)nn3)C2)ccc1OC ZINC000501740555 561604375 /nfs/dbraw/zinc/60/43/75/561604375.db2.gz HJWUVKCEDCJBRE-UHFFFAOYSA-N 1 2 372.425 2.085 20 30 FEEDLO C=CC[N@@H+](Cc1ccccc1N1CCO[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000294142959 552885362 /nfs/dbraw/zinc/88/53/62/552885362.db2.gz GQGVJTCZYJSJKI-FUHWJXTLSA-N 1 2 364.511 2.087 20 30 FEEDLO C=CC[N@H+](Cc1ccccc1N1CCO[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000294142959 552885363 /nfs/dbraw/zinc/88/53/63/552885363.db2.gz GQGVJTCZYJSJKI-FUHWJXTLSA-N 1 2 364.511 2.087 20 30 FEEDLO Cn1cc[nH+]c1[C@H]1N(S(=O)(=O)c2c(F)cc(C#N)cc2F)CC1(C)C ZINC000295174754 552966286 /nfs/dbraw/zinc/96/62/86/552966286.db2.gz AYLOHKNQWITQMF-CQSZACIVSA-N 1 2 366.393 2.342 20 30 FEEDLO Cc1c(Cl)cncc1NC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000297199888 553262825 /nfs/dbraw/zinc/26/28/25/553262825.db2.gz VAPNMXJOUPBJPS-UHFFFAOYSA-N 1 2 351.838 2.123 20 30 FEEDLO C=CCOc1c(Br)cc(C[NH+]2CC(C(=O)NC)C2)cc1OC ZINC000297491438 553299379 /nfs/dbraw/zinc/29/93/79/553299379.db2.gz VEIQWVSRXBADCS-UHFFFAOYSA-N 1 2 369.259 2.200 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C(=O)Nc2ccc(-c3c[nH]cn3)cc2)C1=O ZINC000503270465 561638685 /nfs/dbraw/zinc/63/86/85/561638685.db2.gz KKRMWUIRGASROA-KDOFPFPSSA-N 1 2 367.453 2.122 20 30 FEEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)C(=O)Nc2ccc(-c3c[nH]cn3)cc2)C1=O ZINC000503270465 561638686 /nfs/dbraw/zinc/63/86/86/561638686.db2.gz KKRMWUIRGASROA-KDOFPFPSSA-N 1 2 367.453 2.122 20 30 FEEDLO COCC[NH+](CCOC)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000298420399 553423144 /nfs/dbraw/zinc/42/31/44/553423144.db2.gz MNILTXZIECQFTN-UHFFFAOYSA-N 1 2 353.850 2.181 20 30 FEEDLO CCO[C@H]1C[C@]([NH2+]CCC(=O)Nc2ccccc2C#N)(C(=O)OC)C1(C)C ZINC000298659305 553455732 /nfs/dbraw/zinc/45/57/32/553455732.db2.gz XVVSRTQXYCCEHD-JXFKEZNVSA-N 1 2 373.453 2.223 20 30 FEEDLO CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000503623911 561645649 /nfs/dbraw/zinc/64/56/49/561645649.db2.gz BUFYYMQZSHMVHM-LIRRHRJNSA-N 1 2 358.442 2.038 20 30 FEEDLO CC(C)C(=O)NC1CC[NH+](CC(=O)Nc2cc(Cl)ccc2C#N)CC1 ZINC000298784388 553472189 /nfs/dbraw/zinc/47/21/89/553472189.db2.gz YNDKMKPOBRAXKK-UHFFFAOYSA-N 1 2 362.861 2.387 20 30 FEEDLO Cc1cc(C)c2ncc(C#N)c(N3CC[NH+](CC(=O)NC4CC4)CC3)c2c1 ZINC000301332816 553642812 /nfs/dbraw/zinc/64/28/12/553642812.db2.gz FHHYNGQZUJNQQY-UHFFFAOYSA-N 1 2 363.465 2.124 20 30 FEEDLO N#Cc1cc(S(N)(=O)=O)ccc1NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000301377058 553646686 /nfs/dbraw/zinc/64/66/86/553646686.db2.gz RULKOCVDGLOHKW-UHFFFAOYSA-N 1 2 371.397 2.143 20 30 FEEDLO N#Cc1cc(F)ccc1NCc1ccc[nH+]c1N1CCC(C(N)=O)CC1 ZINC000301394724 553647973 /nfs/dbraw/zinc/64/79/73/553647973.db2.gz DQFYFFGOUOGNMB-UHFFFAOYSA-N 1 2 353.401 2.406 20 30 FEEDLO CC(C)c1nc(N2CCN(c3ccc(C#N)cc3F)CC2)nc(N(C)C)[nH+]1 ZINC000301960262 553694430 /nfs/dbraw/zinc/69/44/30/553694430.db2.gz HKINUOGZHUOIED-UHFFFAOYSA-N 1 2 369.448 2.398 20 30 FEEDLO CC(C)c1nc(N(C)C)nc(N2CCN(c3ccc(C#N)cc3F)CC2)[nH+]1 ZINC000301960262 553694432 /nfs/dbraw/zinc/69/44/32/553694432.db2.gz HKINUOGZHUOIED-UHFFFAOYSA-N 1 2 369.448 2.398 20 30 FEEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)N1CCN(CC(F)(F)F)CC1)CCC2 ZINC000328724001 553812583 /nfs/dbraw/zinc/81/25/83/553812583.db2.gz SONLBFKHPASTCI-CYBMUJFWSA-N 1 2 359.396 2.163 20 30 FEEDLO Cc1ccn2cc(CNC(=O)N3CCC(Cn4ccnn4)CC3)[nH+]c2c1 ZINC000328777013 553820988 /nfs/dbraw/zinc/82/09/88/553820988.db2.gz FTMRXCCRBAYMGA-UHFFFAOYSA-N 1 2 353.430 2.060 20 30 FEEDLO CC(C)(CNC(=O)[C@@H]1CCCC[C@@H]1C(=O)N1CCCC1)[NH+]1CCOCC1 ZINC000328803271 553824616 /nfs/dbraw/zinc/82/46/16/553824616.db2.gz CLSFRPROWITJAJ-SJORKVTESA-N 1 2 365.518 2.483 20 30 FEEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)CN1C(=O)[C@@H]3CCCC[C@@H]3C1=O)CCC2 ZINC000328836205 553830272 /nfs/dbraw/zinc/83/02/72/553830272.db2.gz SMVXEBJFXJSMSA-SOUVJXGZSA-N 1 2 358.442 2.201 20 30 FEEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)c1ccc3n[nH]c(=O)n3c1)C2 ZINC000328902262 553842109 /nfs/dbraw/zinc/84/21/09/553842109.db2.gz GKEQUXZVSAJZGU-GFCCVEGCSA-N 1 2 354.414 2.249 20 30 FEEDLO CCn1cc[nH+]c1[C@@H](NC(=O)N(C)C1CCOCC1)C1CCOCC1 ZINC000328939784 553849940 /nfs/dbraw/zinc/84/99/40/553849940.db2.gz HJFITNGZHZBQTB-INIZCTEOSA-N 1 2 350.463 2.396 20 30 FEEDLO CCc1c(NC(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)cnn1-c1ccccc1 ZINC000329041048 553869504 /nfs/dbraw/zinc/86/95/04/553869504.db2.gz OIQDUWPOSLIAQX-RBUKOAKNSA-N 1 2 369.469 2.385 20 30 FEEDLO CCc1c(NC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)cnn1-c1ccccc1 ZINC000329041048 553869509 /nfs/dbraw/zinc/86/95/09/553869509.db2.gz OIQDUWPOSLIAQX-RBUKOAKNSA-N 1 2 369.469 2.385 20 30 FEEDLO CC(=O)N1CC[N@@H+](CC(=O)Nc2c(C)nn(C)c2C)CC12CCCCC2 ZINC000329071050 553874974 /nfs/dbraw/zinc/87/49/74/553874974.db2.gz YUJYZSHZEWNRPF-UHFFFAOYSA-N 1 2 361.490 2.492 20 30 FEEDLO CC(=O)N1CC[N@H+](CC(=O)Nc2c(C)nn(C)c2C)CC12CCCCC2 ZINC000329071050 553874976 /nfs/dbraw/zinc/87/49/76/553874976.db2.gz YUJYZSHZEWNRPF-UHFFFAOYSA-N 1 2 361.490 2.492 20 30 FEEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)Nc3ccc4[nH]c(C(F)F)nc4c3)C[C@H]21 ZINC000329106958 553881368 /nfs/dbraw/zinc/88/13/68/553881368.db2.gz DQKAMRDPNSPWLD-OLZOCXBDSA-N 1 2 351.357 2.061 20 30 FEEDLO C[N@H+]1CCO[C@H]2CN(C(=O)Nc3ccc4[nH]c(C(F)F)nc4c3)C[C@H]21 ZINC000329106958 553881371 /nfs/dbraw/zinc/88/13/71/553881371.db2.gz DQKAMRDPNSPWLD-OLZOCXBDSA-N 1 2 351.357 2.061 20 30 FEEDLO C=CCNC(=O)CN1CC[NH+](Cc2cnc(-c3ccccc3)s2)CC1 ZINC000506274513 561694643 /nfs/dbraw/zinc/69/46/43/561694643.db2.gz WJXOUKUOMUNOGX-UHFFFAOYSA-N 1 2 356.495 2.230 20 30 FEEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCCO[C@H]1CCCC[C@H]1C ZINC000329214584 553904204 /nfs/dbraw/zinc/90/42/04/553904204.db2.gz LHNIHJHEGQIKAX-TVFCKZIOSA-N 1 2 353.507 2.291 20 30 FEEDLO Cn1c[nH+]cc1[C@H]1[C@H](NC(=O)N2CCCC2(C)C)CCC(=O)N1C1CC1 ZINC000329231269 553907843 /nfs/dbraw/zinc/90/78/43/553907843.db2.gz KNKDAYKBTKGVLX-RHSMWYFYSA-N 1 2 359.474 2.403 20 30 FEEDLO Cc1noc(C)c1[C@H](C)CNC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000329235580 553908355 /nfs/dbraw/zinc/90/83/55/553908355.db2.gz NPHKMJDTFKGQKK-XJKCOSOUSA-N 1 2 350.463 2.104 20 30 FEEDLO Cc1cc(NC(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)nn1C ZINC000329348629 553929561 /nfs/dbraw/zinc/92/95/61/553929561.db2.gz CUGMBHFBQOQOQK-GJZGRUSLSA-N 1 2 357.458 2.995 20 30 FEEDLO Cn1nnnc1SCCC(=O)N[C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000329367521 553933379 /nfs/dbraw/zinc/93/33/79/553933379.db2.gz HKYYWKJMGLBMCU-LLVKDONJSA-N 1 2 363.491 2.158 20 30 FEEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)CCC(=O)N1CCOCC1)C2 ZINC000329394994 553938618 /nfs/dbraw/zinc/93/86/18/553938618.db2.gz VKVDAKPTTJFRFH-AWEZNQCLSA-N 1 2 362.474 2.091 20 30 FEEDLO COCCn1cc2c(n1)[C@H](NC(=O)N1CCC[C@@H](c3[nH]cc[nH+]3)C1)CCC2 ZINC000329451522 553950180 /nfs/dbraw/zinc/95/01/80/553950180.db2.gz CTJRBASDIITZOI-HZPDHXFCSA-N 1 2 372.473 2.424 20 30 FEEDLO CC(C)N(CC(=O)N1CCCCCC1)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000329546592 553965666 /nfs/dbraw/zinc/96/56/66/553965666.db2.gz OJQNYQPKUYIVFQ-INIZCTEOSA-N 1 2 361.490 2.225 20 30 FEEDLO CC(C)Oc1c(F)cc(NC(=O)N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)cc1F ZINC000329552253 553966371 /nfs/dbraw/zinc/96/63/71/553966371.db2.gz JSHSWXODIWOPHC-HUUCEWRRSA-N 1 2 355.385 2.312 20 30 FEEDLO CC(C)Oc1c(F)cc(NC(=O)N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)cc1F ZINC000329552253 553966373 /nfs/dbraw/zinc/96/63/73/553966373.db2.gz JSHSWXODIWOPHC-HUUCEWRRSA-N 1 2 355.385 2.312 20 30 FEEDLO C[C@H](Oc1cccnc1)C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000329567586 553968971 /nfs/dbraw/zinc/96/89/71/553968971.db2.gz PFVBAKJUASCFQF-WMLDXEAASA-N 1 2 351.472 2.013 20 30 FEEDLO C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)C1 ZINC000329585872 553971955 /nfs/dbraw/zinc/97/19/55/553971955.db2.gz YFLFETJRFVNFMH-HZPDHXFCSA-N 1 2 361.490 2.022 20 30 FEEDLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000329650848 553982481 /nfs/dbraw/zinc/98/24/81/553982481.db2.gz KQXDBUABIMTERS-AEGPPILISA-N 1 2 350.488 2.377 20 30 FEEDLO C[C@H]1Oc2ccc(NC(=O)N3CC[C@@H]([NH+]4CCOCC4)C3)cc2NC1=O ZINC000329673468 553986468 /nfs/dbraw/zinc/98/64/68/553986468.db2.gz SVXPQEKKMBDGFW-TZMCWYRMSA-N 1 2 360.414 2.008 20 30 FEEDLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)N1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000329721009 553995591 /nfs/dbraw/zinc/99/55/91/553995591.db2.gz DTQBFONJZZGGFT-CJNGLKHVSA-N 1 2 369.473 2.336 20 30 FEEDLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)N1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000329721009 553995594 /nfs/dbraw/zinc/99/55/94/553995594.db2.gz DTQBFONJZZGGFT-CJNGLKHVSA-N 1 2 369.473 2.336 20 30 FEEDLO O=C(NC[C@H]1CCCCS1(=O)=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000329750349 553999798 /nfs/dbraw/zinc/99/97/98/553999798.db2.gz IAZBXHOJRWJKRB-QGZVFWFLSA-N 1 2 371.547 2.066 20 30 FEEDLO CC1CCN(c2ccc(CNC(=O)N3C[C@@H]4CC[C@H](O)[C@H]4C3)c[nH+]2)CC1 ZINC000329754008 554000309 /nfs/dbraw/zinc/00/03/09/554000309.db2.gz KLXVWUHAAJBMOH-BZSNNMDCSA-N 1 2 358.486 2.435 20 30 FEEDLO O=C(NCc1cn2cc(Cl)ccc2[nH+]1)N1CCC[C@@H](n2cncn2)C1 ZINC000329806082 554009280 /nfs/dbraw/zinc/00/92/80/554009280.db2.gz LCACDYKFOSMNNW-CQSZACIVSA-N 1 2 359.821 2.330 20 30 FEEDLO C[C@@H]1CC(CNC(=O)N(CC2CC2)C[C@@H]2C[N@H+](C)CCO2)C[C@@H](C)O1 ZINC000329809257 554009640 /nfs/dbraw/zinc/00/96/40/554009640.db2.gz PZYKBHCWULYZMQ-RKVPGOIHSA-N 1 2 353.507 2.147 20 30 FEEDLO C[C@@H]1CC(CNC(=O)N(CC2CC2)C[C@@H]2C[N@@H+](C)CCO2)C[C@@H](C)O1 ZINC000329809257 554009642 /nfs/dbraw/zinc/00/96/42/554009642.db2.gz PZYKBHCWULYZMQ-RKVPGOIHSA-N 1 2 353.507 2.147 20 30 FEEDLO C[C@@H]1CC(CNC(=O)N[C@@H]2CCO[C@H](c3c[nH+]cn3C)C2)C[C@@H](C)O1 ZINC000329810229 554009798 /nfs/dbraw/zinc/00/97/98/554009798.db2.gz QNFKOAOUMGQGJT-SMKXDYDZSA-N 1 2 350.463 2.347 20 30 FEEDLO C[NH+]1CCN(C(=O)c2cc(NC(=O)N3CCC[C@H]3C3CCC3)ccn2)CC1 ZINC000329849603 554018189 /nfs/dbraw/zinc/01/81/89/554018189.db2.gz PZFDRYDBEKCCDW-SFHVURJKSA-N 1 2 371.485 2.279 20 30 FEEDLO Cc1ncsc1C[N@H+]1C[C@@H](F)C[C@H]1CN(C)C(=O)N[C@@H]1CCCOC1 ZINC000329917446 554030973 /nfs/dbraw/zinc/03/09/73/554030973.db2.gz QUGFJVMCCAKZQZ-ZNMIVQPWSA-N 1 2 370.494 2.389 20 30 FEEDLO Cc1ncsc1C[N@@H+]1C[C@@H](F)C[C@H]1CN(C)C(=O)N[C@@H]1CCCOC1 ZINC000329917446 554030974 /nfs/dbraw/zinc/03/09/74/554030974.db2.gz QUGFJVMCCAKZQZ-ZNMIVQPWSA-N 1 2 370.494 2.389 20 30 FEEDLO O=C(C[NH+]1CCN(c2ccc3ccccc3n2)CC1)NC(=O)NC1CC1 ZINC000329928615 554033372 /nfs/dbraw/zinc/03/33/72/554033372.db2.gz YBLXMVOLSMVRAO-UHFFFAOYSA-N 1 2 353.426 2.390 20 30 FEEDLO COc1ccc(NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)cc1Br ZINC000329931248 554034161 /nfs/dbraw/zinc/03/41/61/554034161.db2.gz OYHCWQHMUHJHAE-OCCSQVGLSA-N 1 2 370.247 2.018 20 30 FEEDLO COc1ccc(NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)cc1Br ZINC000329931248 554034163 /nfs/dbraw/zinc/03/41/63/554034163.db2.gz OYHCWQHMUHJHAE-OCCSQVGLSA-N 1 2 370.247 2.018 20 30 FEEDLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)c1ccc2nc(C(F)(F)F)cn2c1 ZINC000329940528 554035956 /nfs/dbraw/zinc/03/59/56/554035956.db2.gz UOXILCSAPLEASP-GFCCVEGCSA-N 1 2 369.391 2.294 20 30 FEEDLO CC[C@@H]1C[C@H](C(=O)NC[C@@H]2C[C@H](F)CN2Cc2[nH+]ccn2C)CCO1 ZINC000329963713 554039729 /nfs/dbraw/zinc/03/97/29/554039729.db2.gz UCKCWMVKKPQSMG-FXUDXRNXSA-N 1 2 352.454 2.494 20 30 FEEDLO C[C@@]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)(C(N)=O)c1ccccc1 ZINC000507370799 561726682 /nfs/dbraw/zinc/72/66/82/561726682.db2.gz NJQKBANMJWOKOS-SFHVURJKSA-N 1 2 356.813 2.140 20 30 FEEDLO COC1(CNC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)CCC(C)CC1 ZINC000330023733 554051350 /nfs/dbraw/zinc/05/13/50/554051350.db2.gz JDGJGVGSPBJGDD-TVRKMHQQSA-N 1 2 353.507 2.292 20 30 FEEDLO CN(C)C(=O)c1cccc(NC(=O)N[C@@H]2CCO[C@@H](c3c[nH+]cn3C)C2)c1 ZINC000330066700 554058140 /nfs/dbraw/zinc/05/81/40/554058140.db2.gz TVNLAVGGUZAMEI-NVXWUHKLSA-N 1 2 371.441 2.177 20 30 FEEDLO C[C@@H]1C[N@H+](CC(=O)NCc2cnn(-c3ccccc3)c2)C[C@]2(CCOC2)O1 ZINC000330074870 554060101 /nfs/dbraw/zinc/06/01/01/554060101.db2.gz LKGKMQMICZCUFL-UZLBHIALSA-N 1 2 370.453 2.209 20 30 FEEDLO C[C@@H]1C[N@@H+](CC(=O)NCc2cnn(-c3ccccc3)c2)C[C@]2(CCOC2)O1 ZINC000330074870 554060105 /nfs/dbraw/zinc/06/01/05/554060105.db2.gz LKGKMQMICZCUFL-UZLBHIALSA-N 1 2 370.453 2.209 20 30 FEEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N1C[C@H](C)O[C@]3(CCCOC3)C1)CCC2 ZINC000330134122 554071331 /nfs/dbraw/zinc/07/13/31/554071331.db2.gz RQWOYOKHBFNTDN-TXPKVOOTSA-N 1 2 362.474 2.253 20 30 FEEDLO Cc1nc(N2CCN(C([O-])=[NH+][C@H]3CCn4cc[nH+]c4C3)CC2)sc1C ZINC000330198698 554083826 /nfs/dbraw/zinc/08/38/26/554083826.db2.gz UKQNPONYHOLZGF-AWEZNQCLSA-N 1 2 360.487 2.007 20 30 FEEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)N[C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)CCO1 ZINC000330281960 554098695 /nfs/dbraw/zinc/09/86/95/554098695.db2.gz AHQPPAAASGDUJL-PNDGYWDASA-N 1 2 362.474 2.347 20 30 FEEDLO CC(C)c1noc([C@@H](NC(=O)NCc2[nH+]ccn2C)C2CCOCC2)n1 ZINC000330339716 554108035 /nfs/dbraw/zinc/10/80/35/554108035.db2.gz WZNIJTNZSDTIMP-AWEZNQCLSA-N 1 2 362.434 2.098 20 30 FEEDLO Cc1nc(-c2c(C)c(C)nn(C)c2=O)sc1/C(O)=N/[C@@H](C)C[NH+](C)C ZINC000330692683 554158513 /nfs/dbraw/zinc/15/85/13/554158513.db2.gz ZTPPFXRPGZUGQI-VIFPVBQESA-N 1 2 363.487 2.084 20 30 FEEDLO N#Cc1ccc(N2CC[C@H]([N@@H+]3CCC[C@@](O)(C(F)(F)F)C3)C2=O)cc1 ZINC000331676970 554306724 /nfs/dbraw/zinc/30/67/24/554306724.db2.gz OXPRYWOZHUTOTG-HOCLYGCPSA-N 1 2 353.344 2.053 20 30 FEEDLO N#Cc1ccc(N2CC[C@H]([N@H+]3CCC[C@@](O)(C(F)(F)F)C3)C2=O)cc1 ZINC000331676970 554306727 /nfs/dbraw/zinc/30/67/27/554306727.db2.gz OXPRYWOZHUTOTG-HOCLYGCPSA-N 1 2 353.344 2.053 20 30 FEEDLO CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000332131258 554386705 /nfs/dbraw/zinc/38/67/05/554386705.db2.gz OKGMTTVERIHZEG-HXUWFJFHSA-N 1 2 371.481 2.429 20 30 FEEDLO CCCC[N@H+]1CCOC[C@@H]1C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000332131258 554386708 /nfs/dbraw/zinc/38/67/08/554386708.db2.gz OKGMTTVERIHZEG-HXUWFJFHSA-N 1 2 371.481 2.429 20 30 FEEDLO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000332543498 554468238 /nfs/dbraw/zinc/46/82/38/554468238.db2.gz LWBCADVLKFUHFI-DOMZBBRYSA-N 1 2 353.875 2.459 20 30 FEEDLO C[C@@H]1C[N@H+]2CCCC[C@H]2CN1S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000332543498 554468239 /nfs/dbraw/zinc/46/82/39/554468239.db2.gz LWBCADVLKFUHFI-DOMZBBRYSA-N 1 2 353.875 2.459 20 30 FEEDLO C[NH+](C)C1(C#N)CCN(C(=O)Nc2cc3c(cc2F)NC(=O)CC3)CC1 ZINC000332602206 554481129 /nfs/dbraw/zinc/48/11/29/554481129.db2.gz MWLPBQLWMZCSGL-UHFFFAOYSA-N 1 2 359.405 2.162 20 30 FEEDLO N#Cc1cccc(-n2ccc(-c3nc([C@@H]4C[N@@H+](C5CC5)CCO4)no3)n2)c1 ZINC000350063100 554758147 /nfs/dbraw/zinc/75/81/47/554758147.db2.gz DVXNTTKIUKHVPN-KRWDZBQOSA-N 1 2 362.393 2.330 20 30 FEEDLO N#Cc1cccc(-n2ccc(-c3nc([C@@H]4C[N@H+](C5CC5)CCO4)no3)n2)c1 ZINC000350063100 554758149 /nfs/dbraw/zinc/75/81/49/554758149.db2.gz DVXNTTKIUKHVPN-KRWDZBQOSA-N 1 2 362.393 2.330 20 30 FEEDLO O=C1/C(=C/c2csnn2)CN(c2cccc[nH+]2)C/C1=C/c1csnn1 ZINC000363408173 555098475 /nfs/dbraw/zinc/09/84/75/555098475.db2.gz NXTONRMVJNSXCQ-JTAXDKCCSA-N 1 2 368.447 2.341 20 30 FEEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000512215805 561896304 /nfs/dbraw/zinc/89/63/04/561896304.db2.gz XXHIQVRJVSXCKU-CQSZACIVSA-N 1 2 371.437 2.276 20 30 FEEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000512215805 561896305 /nfs/dbraw/zinc/89/63/05/561896305.db2.gz XXHIQVRJVSXCKU-CQSZACIVSA-N 1 2 371.437 2.276 20 30 FEEDLO Cn1cc(C#N)c(=NC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)[nH]1 ZINC000615979572 555260980 /nfs/dbraw/zinc/26/09/80/555260980.db2.gz GOXDBRRMINUWAM-LSDHHAIUSA-N 1 2 360.368 2.137 20 30 FEEDLO Cn1cc(C#N)c(=NC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)[nH]1 ZINC000615979572 555260981 /nfs/dbraw/zinc/26/09/81/555260981.db2.gz GOXDBRRMINUWAM-LSDHHAIUSA-N 1 2 360.368 2.137 20 30 FEEDLO N#Cc1ccc(C(=O)N2CC[C@H](Oc3ccc[nH+]c3N3CCCC3)C2)cn1 ZINC000364657094 555364692 /nfs/dbraw/zinc/36/46/92/555364692.db2.gz IEJPEFFFWQZFAT-KRWDZBQOSA-N 1 2 363.421 2.242 20 30 FEEDLO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)c2cccc(C#N)c2C)CC1 ZINC000512752468 561914181 /nfs/dbraw/zinc/91/41/81/561914181.db2.gz OHXVERSVFGSRGR-UHFFFAOYSA-N 1 2 351.454 2.175 20 30 FEEDLO C#CCSCCNC(=O)N1CCC[N@@H+](Cc2csc(CC)n2)CC1 ZINC000365502936 555593063 /nfs/dbraw/zinc/59/30/63/555593063.db2.gz ZBKCVJMGYJEXBF-UHFFFAOYSA-N 1 2 366.556 2.289 20 30 FEEDLO C#CCSCCNC(=O)N1CCC[N@H+](Cc2csc(CC)n2)CC1 ZINC000365502936 555593065 /nfs/dbraw/zinc/59/30/65/555593065.db2.gz ZBKCVJMGYJEXBF-UHFFFAOYSA-N 1 2 366.556 2.289 20 30 FEEDLO COc1ccccc1OCC[N@@H+]1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000513666175 561946179 /nfs/dbraw/zinc/94/61/79/561946179.db2.gz KHJDIRYRZVFIOP-BTYIYWSLSA-N 1 2 363.417 2.419 20 30 FEEDLO COc1ccccc1OCC[N@H+]1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000513666175 561946180 /nfs/dbraw/zinc/94/61/80/561946180.db2.gz KHJDIRYRZVFIOP-BTYIYWSLSA-N 1 2 363.417 2.419 20 30 FEEDLO C[C@@H](C(=O)Nc1ccc(Cl)cn1)[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000366357999 555821205 /nfs/dbraw/zinc/82/12/05/555821205.db2.gz XRPGESLGBLNVDA-SWLSCSKDSA-N 1 2 371.828 2.482 20 30 FEEDLO C[C@@H](C(=O)Nc1ccc(Cl)cn1)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000366357999 555821207 /nfs/dbraw/zinc/82/12/07/555821207.db2.gz XRPGESLGBLNVDA-SWLSCSKDSA-N 1 2 371.828 2.482 20 30 FEEDLO N#Cc1ccc(Cl)c(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)c1 ZINC000367511694 556070440 /nfs/dbraw/zinc/07/04/40/556070440.db2.gz CXXNJNYJEQEHQL-KRWDZBQOSA-N 1 2 365.886 2.149 20 30 FEEDLO Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)C2(c3ccc(C#N)cc3)CC2)CCO1 ZINC000514837917 561982243 /nfs/dbraw/zinc/98/22/43/561982243.db2.gz HYVWIFQKIRFWNC-WMZOPIPTSA-N 1 2 350.422 2.360 20 30 FEEDLO Cc1ccc(C2CCN(c3cc(S(N)(=O)=O)ccc3C#N)CC2)c[nH+]1 ZINC000367835930 556150954 /nfs/dbraw/zinc/15/09/54/556150954.db2.gz KYJZUGHXLCNSLM-UHFFFAOYSA-N 1 2 356.451 2.293 20 30 FEEDLO CCN(CC)S(=O)(=O)c1ccc(C[NH2+]Cc2nc(C#N)cs2)cc1 ZINC000515095372 561996174 /nfs/dbraw/zinc/99/61/74/561996174.db2.gz GYNBVLJAECDUFJ-UHFFFAOYSA-N 1 2 364.496 2.335 20 30 FEEDLO C[C@@H]1CC[N@@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C[C@@H]1C(=O)OC(C)(C)C ZINC000515350499 562006577 /nfs/dbraw/zinc/00/65/77/562006577.db2.gz OIFHAQJRRVJIPO-XOKHGSTOSA-N 1 2 357.454 2.384 20 30 FEEDLO C[C@@H]1CC[N@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C[C@@H]1C(=O)OC(C)(C)C ZINC000515350499 562006578 /nfs/dbraw/zinc/00/65/78/562006578.db2.gz OIFHAQJRRVJIPO-XOKHGSTOSA-N 1 2 357.454 2.384 20 30 FEEDLO CCCC[C@H](ON=C(C)C)C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000368625578 556367398 /nfs/dbraw/zinc/36/73/98/556367398.db2.gz ZMQODAWXTUVPBK-FUHWJXTLSA-N 1 2 371.547 2.282 20 30 FEEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)c1C ZINC000368976288 556465424 /nfs/dbraw/zinc/46/54/24/556465424.db2.gz VIDIBHAJUDWTMS-ZWOKBUDYSA-N 1 2 368.481 2.136 20 30 FEEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)c1C ZINC000368976288 556465426 /nfs/dbraw/zinc/46/54/26/556465426.db2.gz VIDIBHAJUDWTMS-ZWOKBUDYSA-N 1 2 368.481 2.136 20 30 FEEDLO Cc1nc(CO[C@H]2CC[N@H+](CC(=O)NC3(C#N)CCCCC3)C2)cs1 ZINC000369011575 556475786 /nfs/dbraw/zinc/47/57/86/556475786.db2.gz VBEINXGHEULCOF-INIZCTEOSA-N 1 2 362.499 2.385 20 30 FEEDLO Cc1nc(CO[C@H]2CC[N@@H+](CC(=O)NC3(C#N)CCCCC3)C2)cs1 ZINC000369011575 556475790 /nfs/dbraw/zinc/47/57/90/556475790.db2.gz VBEINXGHEULCOF-INIZCTEOSA-N 1 2 362.499 2.385 20 30 FEEDLO CNC(=O)[C@H]1Cc2ccccc2C[N@@H+]1CCOc1ccc(C#N)cc1OC ZINC000369585909 556639359 /nfs/dbraw/zinc/63/93/59/556639359.db2.gz VGIKHKXLSFJDAU-GOSISDBHSA-N 1 2 365.433 2.119 20 30 FEEDLO CNC(=O)[C@H]1Cc2ccccc2C[N@H+]1CCOc1ccc(C#N)cc1OC ZINC000369585909 556639360 /nfs/dbraw/zinc/63/93/60/556639360.db2.gz VGIKHKXLSFJDAU-GOSISDBHSA-N 1 2 365.433 2.119 20 30 FEEDLO C#CC[C@H](C)NC(=O)N[C@@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1 ZINC000369772243 556690468 /nfs/dbraw/zinc/69/04/68/556690468.db2.gz ZOCGRSATUNKBMI-SUMWQHHRSA-N 1 2 356.426 2.238 20 30 FEEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CCN(c2cnn(C)c2)CC1 ZINC000370002862 556755255 /nfs/dbraw/zinc/75/52/55/556755255.db2.gz UFFPEXUPMSQZEZ-MRXNPFEDSA-N 1 2 373.526 2.207 20 30 FEEDLO Cc1nc(C)n(C[C@@H]2CCCC[N@@H+]2CC(=O)Nc2sccc2C#N)n1 ZINC000370790528 556968940 /nfs/dbraw/zinc/96/89/40/556968940.db2.gz PYIIOCMCGQUMLD-HNNXBMFYSA-N 1 2 358.471 2.321 20 30 FEEDLO Cc1nc(C)n(C[C@@H]2CCCC[N@H+]2CC(=O)Nc2sccc2C#N)n1 ZINC000370790528 556968941 /nfs/dbraw/zinc/96/89/41/556968941.db2.gz PYIIOCMCGQUMLD-HNNXBMFYSA-N 1 2 358.471 2.321 20 30 FEEDLO Cn1cc[nH+]c1CN1CCCN(C(=O)CSc2ccc(C#N)cc2)CC1 ZINC000370851652 556990280 /nfs/dbraw/zinc/99/02/80/556990280.db2.gz KEWSKIWNIVJWOB-UHFFFAOYSA-N 1 2 369.494 2.118 20 30 FEEDLO C=CC[C@H](CO)NC(=O)N[C@@H]1CC[N@H+](C2CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000371807663 557298809 /nfs/dbraw/zinc/29/88/09/557298809.db2.gz CHMGGXGCWWOFKZ-XWIAVFTESA-N 1 2 365.424 2.479 20 30 FEEDLO C=CC[C@H](CO)NC(=O)N[C@@H]1CC[N@@H+](C2CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000371807663 557298812 /nfs/dbraw/zinc/29/88/12/557298812.db2.gz CHMGGXGCWWOFKZ-XWIAVFTESA-N 1 2 365.424 2.479 20 30 FEEDLO N#Cc1ccc(CNC(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)s1 ZINC000518749626 562117384 /nfs/dbraw/zinc/11/73/84/562117384.db2.gz NFXXLGIHAHPVQZ-GOSISDBHSA-N 1 2 370.478 2.492 20 30 FEEDLO N#CCCCn1cc(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)c2ccccc21 ZINC000373057618 557618490 /nfs/dbraw/zinc/61/84/90/557618490.db2.gz LFPMYOULRIZAIS-KRWDZBQOSA-N 1 2 366.465 2.492 20 30 FEEDLO CC(C)(C#N)c1ccc(C(=O)N2CC[NH+](C3(C(N)=O)CCCC3)CC2)cc1 ZINC000373538695 557713639 /nfs/dbraw/zinc/71/36/39/557713639.db2.gz OYBBPPWCSSVHNE-UHFFFAOYSA-N 1 2 368.481 2.044 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1ccc(N2CCCC2)c(F)c1 ZINC000520735362 562162394 /nfs/dbraw/zinc/16/23/94/562162394.db2.gz BGNOJIABENYQGZ-UHFFFAOYSA-N 1 2 374.460 2.114 20 30 FEEDLO Cc1cc[nH+]cc1N1CCN([C@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000374171031 557837012 /nfs/dbraw/zinc/83/70/12/557837012.db2.gz KPSTYEFMZRHNEU-INIZCTEOSA-N 1 2 367.478 2.251 20 30 FEEDLO Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000521219610 562172027 /nfs/dbraw/zinc/17/20/27/562172027.db2.gz HUIIHKXBSUIAQT-GOSISDBHSA-N 1 2 354.458 2.347 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)cc1 ZINC000375467964 558032595 /nfs/dbraw/zinc/03/25/95/558032595.db2.gz ZECSBVUKGUDHKK-OAHLLOKOSA-N 1 2 372.450 2.082 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)cc1 ZINC000375467964 558032597 /nfs/dbraw/zinc/03/25/97/558032597.db2.gz ZECSBVUKGUDHKK-OAHLLOKOSA-N 1 2 372.450 2.082 20 30 FEEDLO CC#CCCCC(=O)N1CC[C@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000376188150 558138558 /nfs/dbraw/zinc/13/85/58/558138558.db2.gz OJHWGYFXZHTBAJ-KRWDZBQOSA-N 1 2 363.502 2.334 20 30 FEEDLO C=CC[C@H](C)NC(=O)N1CC[C@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000376312507 558156400 /nfs/dbraw/zinc/15/64/00/558156400.db2.gz ZXCSUGLJJJUDOS-HOTGVXAUSA-N 1 2 366.506 2.288 20 30 FEEDLO C#CCC(CC#C)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000376976234 558247280 /nfs/dbraw/zinc/24/72/80/558247280.db2.gz BHTUKFDWXXWIMA-RBUKOAKNSA-N 1 2 358.869 2.491 20 30 FEEDLO C#CCC(CC#C)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000376976234 558247281 /nfs/dbraw/zinc/24/72/81/558247281.db2.gz BHTUKFDWXXWIMA-RBUKOAKNSA-N 1 2 358.869 2.491 20 30 FEEDLO N#Cc1cc(Cl)ccc1S(=O)(=O)N1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000377023337 558252863 /nfs/dbraw/zinc/25/28/63/558252863.db2.gz PRJXMLKTEVTNBU-CQSZACIVSA-N 1 2 371.915 2.023 20 30 FEEDLO C[N@H+](CCS(=O)(=O)c1ccc(C#N)cn1)[C@@H]1CCCc2cccnc21 ZINC000377607769 558376559 /nfs/dbraw/zinc/37/65/59/558376559.db2.gz PDPFZRCSUGLOSK-MRXNPFEDSA-N 1 2 356.451 2.131 20 30 FEEDLO C[N@@H+](CCS(=O)(=O)c1ccc(C#N)cn1)[C@@H]1CCCc2cccnc21 ZINC000377607769 558376561 /nfs/dbraw/zinc/37/65/61/558376561.db2.gz PDPFZRCSUGLOSK-MRXNPFEDSA-N 1 2 356.451 2.131 20 30 FEEDLO CCO[C@@H](C)c1noc(C[N@@H+]2CCCN(c3cccnc3C#N)CC2)n1 ZINC000377988151 558458533 /nfs/dbraw/zinc/45/85/33/558458533.db2.gz NMQLJAQLDAWWEJ-AWEZNQCLSA-N 1 2 356.430 2.146 20 30 FEEDLO CCO[C@@H](C)c1noc(C[N@H+]2CCCN(c3cccnc3C#N)CC2)n1 ZINC000377988151 558458534 /nfs/dbraw/zinc/45/85/34/558458534.db2.gz NMQLJAQLDAWWEJ-AWEZNQCLSA-N 1 2 356.430 2.146 20 30 FEEDLO N#Cc1cccc(OC2CCN(C(=O)N[C@@H]3CCc4[nH+]c[nH]c4C3)CC2)c1 ZINC000378101267 558481447 /nfs/dbraw/zinc/48/14/47/558481447.db2.gz PZAZFMBXSVNCJB-OAHLLOKOSA-N 1 2 365.437 2.392 20 30 FEEDLO N#Cc1cccc(OC2CCN(C(=O)N[C@@H]3CCc4[nH]c[nH+]c4C3)CC2)c1 ZINC000378101267 558481448 /nfs/dbraw/zinc/48/14/48/558481448.db2.gz PZAZFMBXSVNCJB-OAHLLOKOSA-N 1 2 365.437 2.392 20 30 FEEDLO COC(=O)c1ccc(C[N@@H+]2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)cc1 ZINC000378285139 558519731 /nfs/dbraw/zinc/51/97/31/558519731.db2.gz HTGDTVLZDALJNL-KKSFZXQISA-N 1 2 361.401 2.319 20 30 FEEDLO COC(=O)c1ccc(C[N@H+]2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)cc1 ZINC000378285139 558519733 /nfs/dbraw/zinc/51/97/33/558519733.db2.gz HTGDTVLZDALJNL-KKSFZXQISA-N 1 2 361.401 2.319 20 30 FEEDLO CC(C)N(C(=O)[C@@H](C)[N@@H+]1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O)C(C)C ZINC000378291137 558521462 /nfs/dbraw/zinc/52/14/62/558521462.db2.gz PHVFMQDNDMKXNC-XFQAVAEZSA-N 1 2 368.481 2.366 20 30 FEEDLO CC(C)N(C(=O)[C@@H](C)[N@H+]1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O)C(C)C ZINC000378291137 558521466 /nfs/dbraw/zinc/52/14/66/558521466.db2.gz PHVFMQDNDMKXNC-XFQAVAEZSA-N 1 2 368.481 2.366 20 30 FEEDLO C[C@H]1c2cc3c(cc2C2(CCCC2)C[N@H+]1CC(=O)NCC#N)OCCO3 ZINC000408019437 558638729 /nfs/dbraw/zinc/63/87/29/558638729.db2.gz GAGUEGDQPYBAIA-AWEZNQCLSA-N 1 2 355.438 2.286 20 30 FEEDLO C[C@H]1c2cc3c(cc2C2(CCCC2)C[N@@H+]1CC(=O)NCC#N)OCCO3 ZINC000408019437 558638731 /nfs/dbraw/zinc/63/87/31/558638731.db2.gz GAGUEGDQPYBAIA-AWEZNQCLSA-N 1 2 355.438 2.286 20 30 FEEDLO C=CCCCCCN(C)C(=O)C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000410644161 558793987 /nfs/dbraw/zinc/79/39/87/558793987.db2.gz QWJQDKSELGSZIT-QGZVFWFLSA-N 1 2 360.502 2.406 20 30 FEEDLO Cn1c2ccc(NC(=O)C(=O)NCC(C)(C)CC#N)cc2[nH+]c1C1CC1 ZINC000411654310 558936666 /nfs/dbraw/zinc/93/66/66/558936666.db2.gz XREBJEWHBXXUTM-UHFFFAOYSA-N 1 2 353.426 2.445 20 30 FEEDLO C[C@H](C(=O)OC(C)(C)C)[N@H+](C[C@H](O)COc1ccc(C#N)cc1)C1CC1 ZINC000411911499 558986487 /nfs/dbraw/zinc/98/64/87/558986487.db2.gz HJLUWMDPQXMBPU-PBHICJAKSA-N 1 2 360.454 2.493 20 30 FEEDLO C[C@H](C(=O)OC(C)(C)C)[N@@H+](C[C@H](O)COc1ccc(C#N)cc1)C1CC1 ZINC000411911499 558986489 /nfs/dbraw/zinc/98/64/89/558986489.db2.gz HJLUWMDPQXMBPU-PBHICJAKSA-N 1 2 360.454 2.493 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)cc1 ZINC000411958038 558994961 /nfs/dbraw/zinc/99/49/61/558994961.db2.gz XBBQRVYBMFHTRA-PKOBYXMFSA-N 1 2 356.447 2.140 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)cc1 ZINC000411958038 558994963 /nfs/dbraw/zinc/99/49/63/558994963.db2.gz XBBQRVYBMFHTRA-PKOBYXMFSA-N 1 2 356.447 2.140 20 30 FEEDLO C[C@H]([NH2+][C@H](c1cnn(C)c1)c1ccc(F)cc1)C(=O)NC1(C#N)CCC1 ZINC000526057697 562265516 /nfs/dbraw/zinc/26/55/16/562265516.db2.gz CRNPIHUWNKSQTQ-GUYCJALGSA-N 1 2 355.417 2.189 20 30 FEEDLO N#CC1(NC(=O)CSc2[nH+]cnc3c2cnn3-c2ccccc2)CCC1 ZINC000526127213 562267605 /nfs/dbraw/zinc/26/76/05/562267605.db2.gz GOCYZATXBKHKIV-UHFFFAOYSA-N 1 2 364.434 2.470 20 30 FEEDLO COc1cccc(OC)c1OC1CC[NH+](CC(=O)NC2(C#N)CCC2)CC1 ZINC000526135815 562268033 /nfs/dbraw/zinc/26/80/33/562268033.db2.gz BXXWHDRKHZPIMH-UHFFFAOYSA-N 1 2 373.453 2.109 20 30 FEEDLO Cc1nnc(SC[C@@H](O)C[N@H+](C)CCC#N)n1CCc1cccs1 ZINC000414159282 559150959 /nfs/dbraw/zinc/15/09/59/559150959.db2.gz YHTDGSFIQNRDLJ-AWEZNQCLSA-N 1 2 365.528 2.189 20 30 FEEDLO Cc1nnc(SC[C@@H](O)C[N@@H+](C)CCC#N)n1CCc1cccs1 ZINC000414159282 559150960 /nfs/dbraw/zinc/15/09/60/559150960.db2.gz YHTDGSFIQNRDLJ-AWEZNQCLSA-N 1 2 365.528 2.189 20 30 FEEDLO C[C@@H](C#N)S(=O)(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000416372027 559308082 /nfs/dbraw/zinc/30/80/82/559308082.db2.gz NKWRNDURAPIABK-FZMZJTMJSA-N 1 2 359.854 2.447 20 30 FEEDLO C=CCC[C@@H]1NC(=O)N(Cc2cn3cc(Br)ccc3[nH+]2)C1=O ZINC000419934336 559465511 /nfs/dbraw/zinc/46/55/11/559465511.db2.gz HIKGHTUFECVYLC-LBPRGKRZSA-N 1 2 363.215 2.483 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCCCC3(O)CCC3)CC2)cc1 ZINC000420877913 559508922 /nfs/dbraw/zinc/50/89/22/559508922.db2.gz PQIKCHUJPDTSQB-UHFFFAOYSA-N 1 2 356.470 2.081 20 30 FEEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2C[C@@H](O)CC[C@H]2C)c1C#N ZINC000421014446 559519717 /nfs/dbraw/zinc/51/97/17/559519717.db2.gz KISSZJTVJFKOSH-CJNGLKHVSA-N 1 2 370.453 2.402 20 30 FEEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2C[C@@H](O)CC[C@H]2C)c1C#N ZINC000421014446 559519718 /nfs/dbraw/zinc/51/97/18/559519718.db2.gz KISSZJTVJFKOSH-CJNGLKHVSA-N 1 2 370.453 2.402 20 30 FEEDLO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000422525287 559592969 /nfs/dbraw/zinc/59/29/69/559592969.db2.gz HRZSZEHBMGZCTN-GOSISDBHSA-N 1 2 354.454 2.035 20 30 FEEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000422533766 559593380 /nfs/dbraw/zinc/59/33/80/559593380.db2.gz XVWNTRIAXKJIDH-SFHVURJKSA-N 1 2 366.465 2.350 20 30 FEEDLO C=CCCn1cc(C(=O)N[C@H](c2[nH+]ccn2C)c2ccc(OC)cc2)nn1 ZINC000424554238 559669224 /nfs/dbraw/zinc/66/92/24/559669224.db2.gz DWHGGJCXDYYTDB-KRWDZBQOSA-N 1 2 366.425 2.116 20 30 FEEDLO COc1ccc([C@H](CNc2cc(C)ncc2C#N)[NH+]2CCOCC2)cc1 ZINC000425198705 559690722 /nfs/dbraw/zinc/69/07/22/559690722.db2.gz FZXPECLCWOXWDM-FQEVSTJZSA-N 1 2 352.438 2.178 20 30 FEEDLO Cc1cc(N2CCC[C@H](NS(=O)(=O)c3cccc(F)c3)C2)c(C#N)c[nH+]1 ZINC000425219219 559691993 /nfs/dbraw/zinc/69/19/93/559691993.db2.gz BAXMZWUVVXATKC-INIZCTEOSA-N 1 2 374.441 2.348 20 30 FEEDLO Cc1cc(NCC(=O)N2CCN(c3ccc(Cl)cc3)CC2)c(C#N)c[nH+]1 ZINC000425225837 559692258 /nfs/dbraw/zinc/69/22/58/559692258.db2.gz POQMDZASYOKNAL-UHFFFAOYSA-N 1 2 369.856 2.098 20 30 FEEDLO Cc1cc(NC2CCN(S(=O)(=O)Cc3ccccc3)CC2)c(C#N)c[nH+]1 ZINC000425230403 559692513 /nfs/dbraw/zinc/69/25/13/559692513.db2.gz LVJWTPQMCSOUHA-UHFFFAOYSA-N 1 2 370.478 2.090 20 30 FEEDLO CO[C@@H](C)c1noc(C[N@@H+]2CCCN(c3cc(C)ncc3C#N)CC2)n1 ZINC000425231655 559692691 /nfs/dbraw/zinc/69/26/91/559692691.db2.gz NKVOQXOMCQPWGB-AWEZNQCLSA-N 1 2 356.430 2.064 20 30 FEEDLO CO[C@@H](C)c1noc(C[N@H+]2CCCN(c3cc(C)ncc3C#N)CC2)n1 ZINC000425231655 559692692 /nfs/dbraw/zinc/69/26/92/559692692.db2.gz NKVOQXOMCQPWGB-AWEZNQCLSA-N 1 2 356.430 2.064 20 30 FEEDLO CCOC(=O)c1cnc(N2CCN(c3cc(C)[nH+]cc3C#N)CC2)s1 ZINC000425236922 559692719 /nfs/dbraw/zinc/69/27/19/559692719.db2.gz QXZRKCDDAVFMOO-UHFFFAOYSA-N 1 2 357.439 2.222 20 30 FEEDLO CCOC1CC(CNc2c(C#N)cccc2[N+](=O)[O-])([NH+]2CCOCC2)C1 ZINC000425260778 559693970 /nfs/dbraw/zinc/69/39/70/559693970.db2.gz PEFMWYOCCWKIIT-UHFFFAOYSA-N 1 2 360.414 2.148 20 30 FEEDLO CCN1CCN(CC(=O)Nc2cc(Cl)ccc2C#N)C[C@H]1c1[nH]cc[nH+]1 ZINC000527318102 562285225 /nfs/dbraw/zinc/28/52/25/562285225.db2.gz PWBBCDFBWDKPDN-INIZCTEOSA-N 1 2 372.860 2.252 20 30 FEEDLO COC(=O)c1cnc([C@H](C)[NH2+][C@H]2CCN(c3ccc(C#N)cc3)C2=O)s1 ZINC000425478183 559704436 /nfs/dbraw/zinc/70/44/36/559704436.db2.gz CARQZWATHBYDJV-FZMZJTMJSA-N 1 2 370.434 2.257 20 30 FEEDLO CC[C@](C)(C(=O)OC)[N@@H+](CC(=O)NCc1ccc(C#N)cc1)CC1CC1 ZINC000425513630 559707081 /nfs/dbraw/zinc/70/70/81/559707081.db2.gz PEZJFEGNZNVLFT-HXUWFJFHSA-N 1 2 357.454 2.228 20 30 FEEDLO CC[C@](C)(C(=O)OC)[N@H+](CC(=O)NCc1ccc(C#N)cc1)CC1CC1 ZINC000425513630 559707082 /nfs/dbraw/zinc/70/70/82/559707082.db2.gz PEZJFEGNZNVLFT-HXUWFJFHSA-N 1 2 357.454 2.228 20 30 FEEDLO COC(=O)c1conc1C(C)(C)[NH2+]CCC(=O)Nc1sccc1C#N ZINC000425558644 559709862 /nfs/dbraw/zinc/70/98/62/559709862.db2.gz FAXMJYPVSMEUJA-UHFFFAOYSA-N 1 2 362.411 2.248 20 30 FEEDLO C=CCN1C(=O)N([C@H](C)[C@H](C)[NH+]2CCOCC2)C(=O)[C@H]1Cc1ccccc1 ZINC000431401630 559838611 /nfs/dbraw/zinc/83/86/11/559838611.db2.gz OZRIRPHWKJRLNX-YQVWRLOYSA-N 1 2 371.481 2.157 20 30 FEEDLO COc1cc(CCNC(=O)C[N@H+](C)CC(C)(C)C#N)ccc1OC(F)F ZINC000433325497 559877138 /nfs/dbraw/zinc/87/71/38/559877138.db2.gz JFQDALSHMFAJCY-UHFFFAOYSA-N 1 2 369.412 2.437 20 30 FEEDLO COc1cc(CCNC(=O)C[N@@H+](C)CC(C)(C)C#N)ccc1OC(F)F ZINC000433325497 559877139 /nfs/dbraw/zinc/87/71/39/559877139.db2.gz JFQDALSHMFAJCY-UHFFFAOYSA-N 1 2 369.412 2.437 20 30 FEEDLO CN(CC[N@@H+]1CCOC(C)(C)C1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000434699210 559906493 /nfs/dbraw/zinc/90/64/93/559906493.db2.gz ZSQVLVMHLLZTEF-IBGZPJMESA-N 1 2 370.497 2.096 20 30 FEEDLO CN(CC[N@H+]1CCOC(C)(C)C1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000434699210 559906494 /nfs/dbraw/zinc/90/64/94/559906494.db2.gz ZSQVLVMHLLZTEF-IBGZPJMESA-N 1 2 370.497 2.096 20 30 FEEDLO Cn1ncc(C(=O)N(CCn2cc[nH+]c2)Cc2cccc(Cl)c2)c1C#N ZINC000435328515 559920419 /nfs/dbraw/zinc/92/04/19/559920419.db2.gz RVMHMKKHAYITFL-UHFFFAOYSA-N 1 2 368.828 2.484 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000438017613 559973152 /nfs/dbraw/zinc/97/31/52/559973152.db2.gz XPSMDSCVYUNMDV-LPHOPBHVSA-N 1 2 354.454 2.927 20 30 FEEDLO C[C@H](C[NH+]1CCOCC1)Nc1c(C#N)cnc2c(F)c(F)c(F)cc21 ZINC000439101684 559988544 /nfs/dbraw/zinc/98/85/44/559988544.db2.gz RLLQXAJYMKCOPL-SNVBAGLBSA-N 1 2 350.344 2.078 20 30 FEEDLO Cc1[nH+]c2cc(C)ccn2c1CN1CCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC000443390614 560082850 /nfs/dbraw/zinc/08/28/50/560082850.db2.gz FEDNUPDDWWDZMW-UHFFFAOYSA-N 1 2 362.437 2.109 20 30 FEEDLO Cc1nc2cc(C)ccn2c1C[NH+]1CCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC000443390614 560082851 /nfs/dbraw/zinc/08/28/51/560082851.db2.gz FEDNUPDDWWDZMW-UHFFFAOYSA-N 1 2 362.437 2.109 20 30 FEEDLO COc1ccc(C#N)cc1NC(=O)C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000446700428 560150123 /nfs/dbraw/zinc/15/01/23/560150123.db2.gz HAVJWMRLVRCHCR-UHFFFAOYSA-N 1 2 361.361 2.330 20 30 FEEDLO Cc1ccc([C@@H](CNC(=O)c2ccc(C#N)n2C)[NH+]2CCOCC2)cc1 ZINC000448753851 560197827 /nfs/dbraw/zinc/19/78/27/560197827.db2.gz RFYWTWZXXFNXPG-LJQANCHMSA-N 1 2 352.438 2.009 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@](O)(C(F)F)C2)c1 ZINC000451441614 560307264 /nfs/dbraw/zinc/30/72/64/560307264.db2.gz SGECGKVPICJJKQ-SFHVURJKSA-N 1 2 351.397 2.252 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CC[C@@](O)(C(F)F)C2)c1 ZINC000451441614 560307265 /nfs/dbraw/zinc/30/72/65/560307265.db2.gz SGECGKVPICJJKQ-SFHVURJKSA-N 1 2 351.397 2.252 20 30 FEEDLO C=CCCCS(=O)(=O)N1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000451555870 560314640 /nfs/dbraw/zinc/31/46/40/560314640.db2.gz TYGVLEWWMYTYRY-INIZCTEOSA-N 1 2 365.499 2.431 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000453954659 560416330 /nfs/dbraw/zinc/41/63/30/560416330.db2.gz RMWDFBXOGBBCOO-PBHICJAKSA-N 1 2 368.437 2.239 20 30 FEEDLO CO[C@H]([C@H](C)NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CC1 ZINC000455525107 560485674 /nfs/dbraw/zinc/48/56/74/560485674.db2.gz OYKOLEFQXIINKW-HNAYVOBHSA-N 1 2 356.470 2.199 20 30 FEEDLO CN(CCC#N)C(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000455957918 560502182 /nfs/dbraw/zinc/50/21/82/560502182.db2.gz QTJCQGVKUYFJPY-UHFFFAOYSA-N 1 2 368.235 2.058 20 30 FEEDLO CCn1cc[nH+]c1[C@@H](NC(=O)c1cc(C)c(C#N)cn1)C1CCOCC1 ZINC000457782916 560587166 /nfs/dbraw/zinc/58/71/66/560587166.db2.gz JGCDUSQUYOYJRH-KRWDZBQOSA-N 1 2 353.426 2.376 20 30 FEEDLO CC(=O)NCC[N@H+](Cc1c(C#N)cccc1[N+](=O)[O-])C1CCSCC1 ZINC000459445949 560686965 /nfs/dbraw/zinc/68/69/65/560686965.db2.gz SZYKHLWMVARDEZ-UHFFFAOYSA-N 1 2 362.455 2.300 20 30 FEEDLO CC(=O)NCC[N@@H+](Cc1c(C#N)cccc1[N+](=O)[O-])C1CCSCC1 ZINC000459445949 560686966 /nfs/dbraw/zinc/68/69/66/560686966.db2.gz SZYKHLWMVARDEZ-UHFFFAOYSA-N 1 2 362.455 2.300 20 30 FEEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH2+][C@H](C)c1ccn(C)n1 ZINC000459802568 560709325 /nfs/dbraw/zinc/70/93/25/560709325.db2.gz YQKUXDJXOPMFCK-HUUCEWRRSA-N 1 2 355.442 2.415 20 30 FEEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@H](C)c1ccn(C)n1 ZINC000459802560 560709450 /nfs/dbraw/zinc/70/94/50/560709450.db2.gz YQKUXDJXOPMFCK-CABCVRRESA-N 1 2 355.442 2.415 20 30 FEEDLO C[C@@H](C(=O)NCc1ccc(N2CCOCC2)[nH+]c1)c1cccc(C#N)c1 ZINC000461794001 560783941 /nfs/dbraw/zinc/78/39/41/560783941.db2.gz HBKQVSIKUOXFMR-OAHLLOKOSA-N 1 2 350.422 2.210 20 30 FEEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+](C)[C@H](C)C[S@](C)=O)cc1 ZINC000467193547 560906039 /nfs/dbraw/zinc/90/60/39/560906039.db2.gz CCZQJUFHUDNMEH-BZQUYTCOSA-N 1 2 365.499 2.031 20 30 FEEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+](C)[C@H](C)C[S@](C)=O)cc1 ZINC000467193547 560906040 /nfs/dbraw/zinc/90/60/40/560906040.db2.gz CCZQJUFHUDNMEH-BZQUYTCOSA-N 1 2 365.499 2.031 20 30 FEEDLO CC[C@@H]1C[N@H+](CCNC(=O)[C@@H](Oc2ccccc2C#N)C(C)C)CCO1 ZINC000470444420 560982215 /nfs/dbraw/zinc/98/22/15/560982215.db2.gz DTJYWBGPJZLMCX-MJGOQNOKSA-N 1 2 359.470 2.189 20 30 FEEDLO CC[C@@H]1C[N@@H+](CCNC(=O)[C@@H](Oc2ccccc2C#N)C(C)C)CCO1 ZINC000470444420 560982216 /nfs/dbraw/zinc/98/22/16/560982216.db2.gz DTJYWBGPJZLMCX-MJGOQNOKSA-N 1 2 359.470 2.189 20 30 FEEDLO N#C[C@@H](c1cccc(Cl)c1)N1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000470996759 560996086 /nfs/dbraw/zinc/99/60/86/560996086.db2.gz KXYAJFMSIWJYHX-KRWDZBQOSA-N 1 2 374.832 2.327 20 30 FEEDLO N#C[C@H](c1cccc(Cl)c1)N1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000470996760 560996114 /nfs/dbraw/zinc/99/61/14/560996114.db2.gz KXYAJFMSIWJYHX-QGZVFWFLSA-N 1 2 374.832 2.327 20 30 FEEDLO N#Cc1ccc(C[C@H](C#N)C(=O)NCc2[nH+]ccn2CC(F)(F)F)cc1 ZINC000472025884 561016324 /nfs/dbraw/zinc/01/63/24/561016324.db2.gz QQYDZBRGTOTRIR-CQSZACIVSA-N 1 2 361.327 2.316 20 30 FEEDLO C=CCC[C@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1 ZINC000472745105 561034411 /nfs/dbraw/zinc/03/44/11/561034411.db2.gz DLGGQHZIFQYZJZ-SFHVURJKSA-N 1 2 366.527 2.443 20 30 FEEDLO O=C(Nc1ccccc1C#Cc1ccccc1)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000473225151 561044946 /nfs/dbraw/zinc/04/49/46/561044946.db2.gz HQGFDFNQNBZBRO-UHFFFAOYSA-N 1 2 373.456 2.332 20 30 FEEDLO N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000473571586 561052923 /nfs/dbraw/zinc/05/29/23/561052923.db2.gz UQSZNPRNGAJICZ-QGZVFWFLSA-N 1 2 357.845 2.336 20 30 FEEDLO C=CCNC(=O)C[NH+]1CCN(c2cc(C#N)ccc2C(F)(F)F)CC1 ZINC000475452249 561097616 /nfs/dbraw/zinc/09/76/16/561097616.db2.gz MLTJMQMMWFGOSE-UHFFFAOYSA-N 1 2 352.360 2.001 20 30 FEEDLO CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1)C(=O)c1cnn(C)c1C#N ZINC000476022933 561109621 /nfs/dbraw/zinc/10/96/21/561109621.db2.gz FSXPBWKHHDOPAP-STQMWFEESA-N 1 2 361.446 2.038 20 30 FEEDLO CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1)C(=O)c1cnn(C)c1C#N ZINC000476022933 561109622 /nfs/dbraw/zinc/10/96/22/561109622.db2.gz FSXPBWKHHDOPAP-STQMWFEESA-N 1 2 361.446 2.038 20 30 FEEDLO CC(C)(C#N)c1ccc(C(=O)N2CC[C@H](OCC[NH+]3CCOCC3)C2)cc1 ZINC000476335588 561116910 /nfs/dbraw/zinc/11/69/10/561116910.db2.gz UFKOZPMAYCAWJA-IBGZPJMESA-N 1 2 371.481 2.051 20 30 FEEDLO N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCO[C@H](COc2ccccc2)C1 ZINC000528476969 562331355 /nfs/dbraw/zinc/33/13/55/562331355.db2.gz OEMAKXYRZWCGSB-ICSRJNTNSA-N 1 2 368.433 2.078 20 30 FEEDLO N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CCO[C@H](COc2ccccc2)C1 ZINC000528476969 562331356 /nfs/dbraw/zinc/33/13/56/562331356.db2.gz OEMAKXYRZWCGSB-ICSRJNTNSA-N 1 2 368.433 2.078 20 30 FEEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1(c2ccc(C#N)cc2)CCOCC1 ZINC000530059892 562396335 /nfs/dbraw/zinc/39/63/35/562396335.db2.gz IFHJJCFRFFDKFU-IAGOWNOFSA-N 1 2 350.422 2.217 20 30 FEEDLO COc1cccc2c1CN(C[N@@H+]1CC[C@@H](Oc3ccc(C#N)cn3)C1)C2=O ZINC000530095520 562398006 /nfs/dbraw/zinc/39/80/06/562398006.db2.gz NTAODCFCPFYULU-OAHLLOKOSA-N 1 2 364.405 2.028 20 30 FEEDLO COc1cccc2c1CN(C[N@H+]1CC[C@@H](Oc3ccc(C#N)cn3)C1)C2=O ZINC000530095520 562398007 /nfs/dbraw/zinc/39/80/07/562398007.db2.gz NTAODCFCPFYULU-OAHLLOKOSA-N 1 2 364.405 2.028 20 30 FEEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000530342820 562407513 /nfs/dbraw/zinc/40/75/13/562407513.db2.gz KKDBCMKVORENMQ-KZTGVZKYSA-N 1 2 372.494 2.021 20 30 FEEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000530342820 562407514 /nfs/dbraw/zinc/40/75/14/562407514.db2.gz KKDBCMKVORENMQ-KZTGVZKYSA-N 1 2 372.494 2.021 20 30 FEEDLO COC(=O)c1cccc(C[NH+]2CCC([C@H](O)C(F)(F)F)CC2)c1C#N ZINC000535207394 562553109 /nfs/dbraw/zinc/55/31/09/562553109.db2.gz RPRBDNAYZWKGSQ-HNNXBMFYSA-N 1 2 356.344 2.480 20 30 FEEDLO CCc1oc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)cc1C(=O)OC ZINC000549809218 562639884 /nfs/dbraw/zinc/63/98/84/562639884.db2.gz AVRXQQZQNWIRIB-ZDUSSCGKSA-N 1 2 369.425 2.001 20 30 FEEDLO CCc1oc(C[N@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)cc1C(=O)OC ZINC000549809218 562639885 /nfs/dbraw/zinc/63/98/85/562639885.db2.gz AVRXQQZQNWIRIB-ZDUSSCGKSA-N 1 2 369.425 2.001 20 30 FEEDLO CN(C(=O)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1)[C@H]1CCC[C@H]1C#N ZINC000602066487 567924007 /nfs/dbraw/zinc/92/40/07/567924007.db2.gz HYRQSDNUUPODEV-HOCLYGCPSA-N 1 2 351.410 2.176 20 30 FEEDLO COC(=O)c1ccc(OCC[NH+]2C[C@@H](C)N(CC#N)[C@H](C)C2)c(Cl)c1 ZINC000602855500 568002214 /nfs/dbraw/zinc/00/22/14/568002214.db2.gz HJBFPMQOIGYTOX-ZIAGYGMSSA-N 1 2 365.861 2.424 20 30 FEEDLO C[C@H](C(=O)Nc1ccc(-c2c[nH]cn2)cc1)[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602855853 568002374 /nfs/dbraw/zinc/00/23/74/568002374.db2.gz XGQWKTGCGSPAFE-BZUAXINKSA-N 1 2 366.469 2.322 20 30 FEEDLO C[C@@H](C(=O)Nc1ccc(-c2c[nH]cn2)cc1)[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602855862 568002408 /nfs/dbraw/zinc/00/24/08/568002408.db2.gz XGQWKTGCGSPAFE-XHSDSOJGSA-N 1 2 366.469 2.322 20 30 FEEDLO C[C@@H](C(=O)Nc1ccc(-c2c[nH]cn2)cc1)[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602855862 568002409 /nfs/dbraw/zinc/00/24/09/568002409.db2.gz XGQWKTGCGSPAFE-XHSDSOJGSA-N 1 2 366.469 2.322 20 30 FEEDLO CC[NH+]1CCN(S(=O)(=O)c2cccc(NC[C@H](C)CCC#N)c2)CC1 ZINC000602648572 568004524 /nfs/dbraw/zinc/00/45/24/568004524.db2.gz CADAJEKQOZMUDS-MRXNPFEDSA-N 1 2 364.515 2.365 20 30 FEEDLO CC(C)Oc1ccc(CCNC(=O)C[NH+]2C[C@@H](C)N(CC#N)[C@H](C)C2)cc1 ZINC000602867223 568008531 /nfs/dbraw/zinc/00/85/31/568008531.db2.gz XONZOVWWBWAAPT-QZTJIDSGSA-N 1 2 372.513 2.051 20 30 FEEDLO C[C@@H](CC#N)[NH2+]CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000602870436 568009093 /nfs/dbraw/zinc/00/90/93/568009093.db2.gz TXTRIOZNAGQEDP-JTQLQIEISA-N 1 2 352.320 2.116 20 30 FEEDLO C[N@H+](CC(=O)NCc1ccccc1CN1CCCC1=O)[C@H]1CCC[C@@H]1C#N ZINC000602976352 568035964 /nfs/dbraw/zinc/03/59/64/568035964.db2.gz OKQILZXUAOKPOW-APWZRJJASA-N 1 2 368.481 2.049 20 30 FEEDLO C[N@@H+](CC(=O)NCc1ccccc1CN1CCCC1=O)[C@H]1CCC[C@@H]1C#N ZINC000602976352 568035966 /nfs/dbraw/zinc/03/59/66/568035966.db2.gz OKQILZXUAOKPOW-APWZRJJASA-N 1 2 368.481 2.049 20 30 FEEDLO C[N@H+](CC(=O)NCc1ccccc1CN1CCCC1=O)[C@@H]1CCC[C@H]1C#N ZINC000602976354 568035994 /nfs/dbraw/zinc/03/59/94/568035994.db2.gz OKQILZXUAOKPOW-QFBILLFUSA-N 1 2 368.481 2.049 20 30 FEEDLO C[N@@H+](CC(=O)NCc1ccccc1CN1CCCC1=O)[C@@H]1CCC[C@H]1C#N ZINC000602976354 568035995 /nfs/dbraw/zinc/03/59/95/568035995.db2.gz OKQILZXUAOKPOW-QFBILLFUSA-N 1 2 368.481 2.049 20 30 FEEDLO C[C@@H](CC#N)[NH2+]CC(=O)N1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000602862075 568049683 /nfs/dbraw/zinc/04/96/83/568049683.db2.gz ITLMXVIAVFVBLN-ZDUSSCGKSA-N 1 2 352.841 2.015 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Nc1ccc2ccccc2n1 ZINC000603113137 568063104 /nfs/dbraw/zinc/06/31/04/568063104.db2.gz CCYDKZFZZJNXQI-UHFFFAOYSA-N 1 2 353.426 2.315 20 30 FEEDLO COc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000568710438 568137009 /nfs/dbraw/zinc/13/70/09/568137009.db2.gz SPWSYGLAMRJEOE-GDBMZVCRSA-N 1 2 366.421 2.442 20 30 FEEDLO COc1ccccc1NC(=O)[C@@H](C)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000568710438 568137010 /nfs/dbraw/zinc/13/70/10/568137010.db2.gz SPWSYGLAMRJEOE-GDBMZVCRSA-N 1 2 366.421 2.442 20 30 FEEDLO CCN(Cc1cccc(F)c1)C(=O)C[NH+]1CCN([C@@H](C#N)C(C)C)CC1 ZINC000609486078 568346222 /nfs/dbraw/zinc/34/62/22/568346222.db2.gz CMAJQSYRGXRFFD-IBGZPJMESA-N 1 2 360.477 2.340 20 30 FEEDLO CC(C)CN1C[C@H]2C[N@H+](Cc3cn4ccccc4c3C#N)CCN2C1=O ZINC000569903323 568435072 /nfs/dbraw/zinc/43/50/72/568435072.db2.gz OPHKJUQNXXMGCJ-QGZVFWFLSA-N 1 2 351.454 2.389 20 30 FEEDLO CC(C)CN1C[C@H]2C[N@@H+](Cc3cn4ccccc4c3C#N)CCN2C1=O ZINC000569903323 568435074 /nfs/dbraw/zinc/43/50/74/568435074.db2.gz OPHKJUQNXXMGCJ-QGZVFWFLSA-N 1 2 351.454 2.389 20 30 FEEDLO C#C[C@@H](NC(=O)C(=O)Nc1ccc2[nH+]ccn2c1)c1ccc(Cl)cc1 ZINC000810474625 674546296 /nfs/dbraw/zinc/54/62/96/674546296.db2.gz YLPKGZUYSCGPBM-OAHLLOKOSA-N 1 2 352.781 2.417 20 30 FEEDLO CN(CC[N@H+](C)CC(=O)NC1(C#N)CCCCC1)C(=O)OC(C)(C)C ZINC000091764031 670731210 /nfs/dbraw/zinc/73/12/10/670731210.db2.gz GWQMZJXTZNHLHX-UHFFFAOYSA-N 1 2 352.479 2.128 20 30 FEEDLO CN(CC[N@@H+](C)CC(=O)NC1(C#N)CCCCC1)C(=O)OC(C)(C)C ZINC000091764031 670731213 /nfs/dbraw/zinc/73/12/13/670731213.db2.gz GWQMZJXTZNHLHX-UHFFFAOYSA-N 1 2 352.479 2.128 20 30 FEEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000570582315 670736036 /nfs/dbraw/zinc/73/60/36/670736036.db2.gz SXNZNJVPDVVBMI-CYBMUJFWSA-N 1 2 357.845 2.462 20 30 FEEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000570582315 670736042 /nfs/dbraw/zinc/73/60/42/670736042.db2.gz SXNZNJVPDVVBMI-CYBMUJFWSA-N 1 2 357.845 2.462 20 30 FEEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000112998185 670879829 /nfs/dbraw/zinc/87/98/29/670879829.db2.gz NRENMKFXMHMEBO-ZNMIVQPWSA-N 1 2 352.479 2.077 20 30 FEEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000112998185 670879834 /nfs/dbraw/zinc/87/98/34/670879834.db2.gz NRENMKFXMHMEBO-ZNMIVQPWSA-N 1 2 352.479 2.077 20 30 FEEDLO C[N@@H+]1CCN(c2ncc(C#N)cc2Cl)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000119784239 671908417 /nfs/dbraw/zinc/90/84/17/671908417.db2.gz SBYNCHQDQHIDDP-ZDUSSCGKSA-N 1 2 365.865 2.252 20 30 FEEDLO C[N@H+]1CCN(c2ncc(C#N)cc2Cl)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000119784239 671908419 /nfs/dbraw/zinc/90/84/19/671908419.db2.gz SBYNCHQDQHIDDP-ZDUSSCGKSA-N 1 2 365.865 2.252 20 30 FEEDLO Cc1cc(C(N)=[NH+]OCc2ccc(S(=O)(=O)N(C)C)cc2)ccc1F ZINC000120224816 671920109 /nfs/dbraw/zinc/92/01/09/671920109.db2.gz NRGXLHCLAFAFPH-UHFFFAOYSA-N 1 2 365.430 2.222 20 30 FEEDLO CS(=O)(=O)N[C@H]1CCC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000177255379 672381442 /nfs/dbraw/zinc/38/14/42/672381442.db2.gz QRVYEXUWGUKUDV-HNNXBMFYSA-N 1 2 360.401 2.071 20 30 FEEDLO CS(=O)(=O)N[C@H]1CCC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000177255379 672381444 /nfs/dbraw/zinc/38/14/44/672381444.db2.gz QRVYEXUWGUKUDV-HNNXBMFYSA-N 1 2 360.401 2.071 20 30 FEEDLO CC(C)(C)C(=O)N1CSC[C@H]1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000329188690 673073441 /nfs/dbraw/zinc/07/34/41/673073441.db2.gz REXFZALOKUYMTF-ZDUSSCGKSA-N 1 2 357.520 2.001 20 30 FEEDLO CC(C)(C)C(=O)N1CSC[C@H]1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000329188690 673073445 /nfs/dbraw/zinc/07/34/45/673073445.db2.gz REXFZALOKUYMTF-ZDUSSCGKSA-N 1 2 357.520 2.001 20 30 FEEDLO Cn1cc([C@@H]2CSCCN2C(=O)NCc2cn3c([nH+]2)CCCC3)cn1 ZINC000330114232 673086053 /nfs/dbraw/zinc/08/60/53/673086053.db2.gz SQOFKIAIIRBGHE-HNNXBMFYSA-N 1 2 360.487 2.157 20 30 FEEDLO C=CC[NH+]1CCC(NC(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)CC1 ZINC000729977174 673255663 /nfs/dbraw/zinc/25/56/63/673255663.db2.gz MIHBXXSCQHVXMY-UHFFFAOYSA-N 1 2 356.875 2.124 20 30 FEEDLO C[C@](C#N)(NC(=O)C[NH2+][C@H](CO)c1cccc(Cl)c1Cl)C1CC1 ZINC000595828588 673328664 /nfs/dbraw/zinc/32/86/64/673328664.db2.gz LGUYVZNHMVRYTG-CZUORRHYSA-N 1 2 356.253 2.425 20 30 FEEDLO C[N@@H+](Cc1cccc(C#N)c1)Cn1cc(I)cn1 ZINC000738023142 673596125 /nfs/dbraw/zinc/59/61/25/673596125.db2.gz QABLYBPXZGXCQX-UHFFFAOYSA-N 1 2 352.179 2.449 20 30 FEEDLO C[N@H+](Cc1cccc(C#N)c1)Cn1cc(I)cn1 ZINC000738023142 673596127 /nfs/dbraw/zinc/59/61/27/673596127.db2.gz QABLYBPXZGXCQX-UHFFFAOYSA-N 1 2 352.179 2.449 20 30 FEEDLO O=S(=O)(CCc1ccccc1)NN=C1CCN(c2cccc[nH+]2)CC1 ZINC000743448920 673760085 /nfs/dbraw/zinc/76/00/85/673760085.db2.gz HFRIIYVHSCQROI-UHFFFAOYSA-N 1 2 358.467 2.200 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H](c3cccnc3)C2)nc1 ZINC000602854104 673912398 /nfs/dbraw/zinc/91/23/98/673912398.db2.gz MWFRVMLSXPDVAA-QGZVFWFLSA-N 1 2 356.451 2.002 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@@H](c3cccnc3)C2)nc1 ZINC000602854104 673912403 /nfs/dbraw/zinc/91/24/03/673912403.db2.gz MWFRVMLSXPDVAA-QGZVFWFLSA-N 1 2 356.451 2.002 20 30 FEEDLO C[N@H+](CCC#N)C[C@H](O)CNc1cc(F)ccc1OC[C@@H]1CCCO1 ZINC000819436880 675290328 /nfs/dbraw/zinc/29/03/28/675290328.db2.gz GTJRTAARYPZYFO-CVEARBPZSA-N 1 2 351.422 2.002 20 30 FEEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1cc(F)ccc1OC[C@@H]1CCCO1 ZINC000819436880 675290330 /nfs/dbraw/zinc/29/03/30/675290330.db2.gz GTJRTAARYPZYFO-CVEARBPZSA-N 1 2 351.422 2.002 20 30 FEEDLO C=CC[C@H]1CC[N@H+](CC(=O)N([C@@H]2CCS(=O)(=O)C2)C2CCCCC2)C1 ZINC000625701654 676669308 /nfs/dbraw/zinc/66/93/08/676669308.db2.gz BCXIXQRFEIRQQK-FUHWJXTLSA-N 1 2 368.543 2.233 20 30 FEEDLO C=CC[C@H]1CC[N@@H+](CC(=O)N([C@@H]2CCS(=O)(=O)C2)C2CCCCC2)C1 ZINC000625701654 676669309 /nfs/dbraw/zinc/66/93/09/676669309.db2.gz BCXIXQRFEIRQQK-FUHWJXTLSA-N 1 2 368.543 2.233 20 30 FEEDLO CC#CC[NH2+]Cc1cn(C[C@H](O)CO[C@H](C)c2ccc(Cl)cc2)nn1 ZINC000641203989 677196742 /nfs/dbraw/zinc/19/67/42/677196742.db2.gz UQVBYTLXMARPJQ-KDOFPFPSSA-N 1 2 362.861 2.183 20 30 FEEDLO C=CCC1(CNC(=O)N2CC[NH+](CCOCCOC)CC2)CCCC1 ZINC000651140214 677409374 /nfs/dbraw/zinc/40/93/74/677409374.db2.gz CGIJJSLBBWMTMC-UHFFFAOYSA-N 1 2 353.507 2.113 20 30 FEEDLO C=CCSc1ccccc1C(=O)N1CC[NH+](CCOCCOC)CC1 ZINC000652998628 677510748 /nfs/dbraw/zinc/51/07/48/677510748.db2.gz UDBHQHLFOXMVPM-UHFFFAOYSA-N 1 2 364.511 2.386 20 30 FEEDLO C=CCC1(NS(=O)(=O)c2ccccc2Cn2cc[nH+]c2)CCOCC1 ZINC000657129553 677955658 /nfs/dbraw/zinc/95/56/58/677955658.db2.gz SPFKQXVXGBIAGU-UHFFFAOYSA-N 1 2 361.467 2.335 20 30 FEEDLO C=CCn1nnn(CN2CC[NH+](Cc3ccccc3Cl)CC2)c1=S ZINC000765142898 680832522 /nfs/dbraw/zinc/83/25/22/680832522.db2.gz LJOPBOGVKSQPTC-UHFFFAOYSA-N 1 2 364.906 2.424 20 30 FEEDLO C=CCOc1c(Br)cc(C[N@@H+](C)CC(=O)NC)cc1OC ZINC000668790380 679200155 /nfs/dbraw/zinc/20/01/55/679200155.db2.gz NORRUDJKSZBRAB-UHFFFAOYSA-N 1 2 357.248 2.200 20 30 FEEDLO C=CCOc1c(Br)cc(C[N@H+](C)CC(=O)NC)cc1OC ZINC000668790380 679200158 /nfs/dbraw/zinc/20/01/58/679200158.db2.gz NORRUDJKSZBRAB-UHFFFAOYSA-N 1 2 357.248 2.200 20 30 FEEDLO COc1ccc(Br)c([C@@H](CO)[N@H+](C)CCO[C@H](C)C#N)c1 ZINC000831248604 679954853 /nfs/dbraw/zinc/95/48/53/679954853.db2.gz KACNRNJVOQOYNJ-IAQYHMDHSA-N 1 2 357.248 2.352 20 30 FEEDLO COc1ccc(Br)c([C@@H](CO)[N@@H+](C)CCO[C@H](C)C#N)c1 ZINC000831248604 679954858 /nfs/dbraw/zinc/95/48/58/679954858.db2.gz KACNRNJVOQOYNJ-IAQYHMDHSA-N 1 2 357.248 2.352 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2snnc2C)CC1(C)C ZINC000974587290 679960782 /nfs/dbraw/zinc/96/07/82/679960782.db2.gz JFNMHGSULAVDKX-IJEWVQPXSA-N 1 2 364.515 2.154 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2snnc2C)CC1(C)C ZINC000974587290 679960784 /nfs/dbraw/zinc/96/07/84/679960784.db2.gz JFNMHGSULAVDKX-IJEWVQPXSA-N 1 2 364.515 2.154 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2cc(OC)ns2)C1 ZINC001008845544 679968825 /nfs/dbraw/zinc/96/88/25/679968825.db2.gz KNOCSBSXAXHSSQ-QRTARXTBSA-N 1 2 365.499 2.214 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](Cc2cc(OC)ns2)C1 ZINC001008845544 679968831 /nfs/dbraw/zinc/96/88/31/679968831.db2.gz KNOCSBSXAXHSSQ-QRTARXTBSA-N 1 2 365.499 2.214 20 30 FEEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)[C@@H]2CCCO[C@H]2c2cnn(C)c2)CC1 ZINC000981365278 680229733 /nfs/dbraw/zinc/22/97/33/680229733.db2.gz MKSLYNQYSGUHGH-SJORKVTESA-N 1 2 366.893 2.175 20 30 FEEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)[C@@H]2CCCO[C@H]2c2cnn(C)c2)CC1 ZINC000981365278 680229739 /nfs/dbraw/zinc/22/97/39/680229739.db2.gz MKSLYNQYSGUHGH-SJORKVTESA-N 1 2 366.893 2.175 20 30 FEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[N@H+](Cc2snnc2C)CC1 ZINC000982134822 680270681 /nfs/dbraw/zinc/27/06/81/680270681.db2.gz HWPXAWFUOQFGKK-RDJZCZTQSA-N 1 2 364.515 2.252 20 30 FEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[N@@H+](Cc2snnc2C)CC1 ZINC000982134822 680270683 /nfs/dbraw/zinc/27/06/83/680270683.db2.gz HWPXAWFUOQFGKK-RDJZCZTQSA-N 1 2 364.515 2.252 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@]2(C)C[N@@H+](Cc3cscn3)C[C@]2(C)C1 ZINC000982573901 680281191 /nfs/dbraw/zinc/28/11/91/680281191.db2.gz GMJJMQVCZYNKOJ-JFRXWTBNSA-N 1 2 361.511 2.405 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@]2(C)C[N@H+](Cc3cscn3)C[C@]2(C)C1 ZINC000982573901 680281192 /nfs/dbraw/zinc/28/11/92/680281192.db2.gz GMJJMQVCZYNKOJ-JFRXWTBNSA-N 1 2 361.511 2.405 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1Cc1cc(OC)ns1 ZINC001024661499 680299039 /nfs/dbraw/zinc/29/90/39/680299039.db2.gz GXNGKSPLEMKTFB-IMJJTQAJSA-N 1 2 365.499 2.214 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cc(OC)ns1 ZINC001024661499 680299040 /nfs/dbraw/zinc/29/90/40/680299040.db2.gz GXNGKSPLEMKTFB-IMJJTQAJSA-N 1 2 365.499 2.214 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2nc(C(C)C)ns2)C1 ZINC001028813003 680383728 /nfs/dbraw/zinc/38/37/28/680383728.db2.gz RNDSCZBSMKOSNP-ZNMIVQPWSA-N 1 2 364.515 2.191 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2nc(C(C)C)ns2)C1 ZINC001028813003 680383732 /nfs/dbraw/zinc/38/37/32/680383732.db2.gz RNDSCZBSMKOSNP-ZNMIVQPWSA-N 1 2 364.515 2.191 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC2(C[NH+](Cc3nc(C)cs3)C2)CC1 ZINC001035800486 680452710 /nfs/dbraw/zinc/45/27/10/680452710.db2.gz GLVQCPOZKJTSRL-CVEARBPZSA-N 1 2 361.511 2.467 20 30 FEEDLO C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1Nc1ncc(C#N)cc1Cl ZINC001043425832 680581865 /nfs/dbraw/zinc/58/18/65/680581865.db2.gz HTDYSYXMJXMMCZ-IUODEOHRSA-N 1 2 358.833 2.152 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[N@@H+](Cc2ccns2)CCC1(F)F ZINC001046973795 680655094 /nfs/dbraw/zinc/65/50/94/680655094.db2.gz WGXJKQXNQCUYHC-CFVMTHIKSA-N 1 2 371.453 2.308 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[N@H+](Cc2ccns2)CCC1(F)F ZINC001046973795 680655095 /nfs/dbraw/zinc/65/50/95/680655095.db2.gz WGXJKQXNQCUYHC-CFVMTHIKSA-N 1 2 371.453 2.308 20 30 FEEDLO CN(C(=O)C[C@@H]1C[C@H]1C1CC1)[C@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001047463809 680663912 /nfs/dbraw/zinc/66/39/12/680663912.db2.gz UCGKAEPFPZXOOQ-MGHWNKPDSA-N 1 2 359.495 2.059 20 30 FEEDLO CN(C(=O)C[C@@H]1C[C@H]1C1CC1)[C@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001047463809 680663915 /nfs/dbraw/zinc/66/39/15/680663915.db2.gz UCGKAEPFPZXOOQ-MGHWNKPDSA-N 1 2 359.495 2.059 20 30 FEEDLO C=C(C)COc1cc(CN2CC[NH+](CC[S@](C)=O)CC2)ccc1OC ZINC000769480647 680984267 /nfs/dbraw/zinc/98/42/67/680984267.db2.gz NSXZFNRDETVTEE-VWLOTQADSA-N 1 2 366.527 2.146 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cnns1 ZINC001049779787 681038521 /nfs/dbraw/zinc/03/85/21/681038521.db2.gz WVPDQFATAADDSP-YVSFHVDLSA-N 1 2 362.499 2.085 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2Cc1cnns1 ZINC001049779787 681038523 /nfs/dbraw/zinc/03/85/23/681038523.db2.gz WVPDQFATAADDSP-YVSFHVDLSA-N 1 2 362.499 2.085 20 30 FEEDLO C=C(Br)C[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3OCC[C@H]3C)[C@@H]2C1 ZINC001050143864 681042346 /nfs/dbraw/zinc/04/23/46/681042346.db2.gz BLDMXCIBAJDPTE-BEAPCOKYSA-N 1 2 357.292 2.243 20 30 FEEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3OCC[C@H]3C)[C@@H]2C1 ZINC001050143864 681042349 /nfs/dbraw/zinc/04/23/49/681042349.db2.gz BLDMXCIBAJDPTE-BEAPCOKYSA-N 1 2 357.292 2.243 20 30 FEEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3sccc3C)C2)CC1 ZINC001052029072 681070874 /nfs/dbraw/zinc/07/08/74/681070874.db2.gz XBJJBCDRIUQLGB-RCCFBDPRSA-N 1 2 357.523 2.012 20 30 FEEDLO Cn1ccc([C@@H]2CCC[N@@H+]([C@H]3CCN(c4sccc4C#N)C3=O)C2)n1 ZINC000932133479 681182930 /nfs/dbraw/zinc/18/29/30/681182930.db2.gz QXGBBYHOTQKIFI-ZBFHGGJFSA-N 1 2 355.467 2.338 20 30 FEEDLO Cn1ccc([C@@H]2CCC[N@H+]([C@H]3CCN(c4sccc4C#N)C3=O)C2)n1 ZINC000932133479 681182931 /nfs/dbraw/zinc/18/29/31/681182931.db2.gz QXGBBYHOTQKIFI-ZBFHGGJFSA-N 1 2 355.467 2.338 20 30 FEEDLO Cc1nn(-c2ccccc2Br)cc1C=NNC1=[NH+]C[C@H](C)N1 ZINC000848408289 681536750 /nfs/dbraw/zinc/53/67/50/681536750.db2.gz IGNHDPXHFDAHJR-JTQLQIEISA-N 1 2 361.247 2.214 20 30 FEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCCC[C@@H]2N2CCCC2=O)C1 ZINC000969878472 682280403 /nfs/dbraw/zinc/28/04/03/682280403.db2.gz RGHYYKOQKPQTEW-UAGQMJEPSA-N 1 2 367.921 2.357 20 30 FEEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2OCC[C@H]2C(C)C)C1 ZINC000971549259 682357826 /nfs/dbraw/zinc/35/78/26/682357826.db2.gz GQVVBAYVYHFOHX-ILXRZTDVSA-N 1 2 359.308 2.489 20 30 FEEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2OCC[C@H]2C(C)C)C1 ZINC000971549259 682357832 /nfs/dbraw/zinc/35/78/32/682357832.db2.gz GQVVBAYVYHFOHX-ILXRZTDVSA-N 1 2 359.308 2.489 20 30 FEEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1c1cc(Br)cnc1C#N ZINC000853616344 682445619 /nfs/dbraw/zinc/44/56/19/682445619.db2.gz TXNJFOSXYVNQBS-WCQYABFASA-N 1 2 351.248 2.015 20 30 FEEDLO CC(C)(C)n1nnc(CCO[NH+]=C(N)c2ccc(Br)cc2)n1 ZINC000853684769 682456167 /nfs/dbraw/zinc/45/61/67/682456167.db2.gz INLGEOLSZCYDGZ-UHFFFAOYSA-N 1 2 367.251 2.070 20 30 FEEDLO N#Cc1ncc(Br)cc1N1CC[NH+](Cc2ccccn2)CC1 ZINC000787893873 682487912 /nfs/dbraw/zinc/48/79/12/682487912.db2.gz CXMBUKBUEXIOLE-UHFFFAOYSA-N 1 2 358.243 2.433 20 30 FEEDLO C#CCn1ccc(C[N@H+](CCOC)C[C@@H](O)c2ccc(F)cc2Cl)n1 ZINC000789323725 682593617 /nfs/dbraw/zinc/59/36/17/682593617.db2.gz RAYVRIMPIYEPSP-GOSISDBHSA-N 1 2 365.836 2.491 20 30 FEEDLO C#CCn1ccc(C[N@@H+](CCOC)C[C@@H](O)c2ccc(F)cc2Cl)n1 ZINC000789323725 682593618 /nfs/dbraw/zinc/59/36/18/682593618.db2.gz RAYVRIMPIYEPSP-GOSISDBHSA-N 1 2 365.836 2.491 20 30 FEEDLO C=CCN1CC[C@H]([N@H+]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C(C)C)C1=O ZINC000859480781 683116665 /nfs/dbraw/zinc/11/66/65/683116665.db2.gz OVIRFRFIIVPVCC-JKSUJKDBSA-N 1 2 351.491 2.351 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C(C)C)C1=O ZINC000859480781 683116668 /nfs/dbraw/zinc/11/66/68/683116668.db2.gz OVIRFRFIIVPVCC-JKSUJKDBSA-N 1 2 351.491 2.351 20 30 FEEDLO Cn1cc(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c(Br)n1 ZINC000862372889 683579486 /nfs/dbraw/zinc/57/94/86/683579486.db2.gz ALWVDDNHSVWNMV-CYBMUJFWSA-N 1 2 362.231 2.103 20 30 FEEDLO Cn1cc(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c(Br)n1 ZINC000862372889 683579488 /nfs/dbraw/zinc/57/94/88/683579488.db2.gz ALWVDDNHSVWNMV-CYBMUJFWSA-N 1 2 362.231 2.103 20 30 FEEDLO COCCC[N@H+](Cc1cc(Cl)cc(C#N)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000929970222 683662968 /nfs/dbraw/zinc/66/29/68/683662968.db2.gz IUSHTFSPRJKRQM-MRXNPFEDSA-N 1 2 356.875 2.237 20 30 FEEDLO COCCC[N@@H+](Cc1cc(Cl)cc(C#N)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000929970222 683662970 /nfs/dbraw/zinc/66/29/70/683662970.db2.gz IUSHTFSPRJKRQM-MRXNPFEDSA-N 1 2 356.875 2.237 20 30 FEEDLO Cc1cc(C#N)cc(C)c1C[N@H+](C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000930111607 683680529 /nfs/dbraw/zinc/68/05/29/683680529.db2.gz XRUHHTQBWDQVQT-MSOLQXFVSA-N 1 2 362.495 2.343 20 30 FEEDLO Cc1cc(C#N)cc(C)c1C[N@@H+](C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000930111607 683680530 /nfs/dbraw/zinc/68/05/30/683680530.db2.gz XRUHHTQBWDQVQT-MSOLQXFVSA-N 1 2 362.495 2.343 20 30 FEEDLO C#CC1(O)CC[NH+](CC(=O)N(Cc2ccccc2)CC(F)(F)F)CC1 ZINC000931143274 683840999 /nfs/dbraw/zinc/84/09/99/683840999.db2.gz IDQLHUUNKJUMMX-UHFFFAOYSA-N 1 2 354.372 2.038 20 30 FEEDLO C#CCC[NH+]1CCN(C(=O)c2nc(Br)sc2Cl)CC1 ZINC000865085556 683933422 /nfs/dbraw/zinc/93/34/22/683933422.db2.gz OQHFYNGAWJWLQV-UHFFFAOYSA-N 1 2 362.680 2.340 20 30 FEEDLO N#Cc1ccsc1NC(=O)CC[NH+]1CCN(Cc2cncs2)CC1 ZINC000931364630 684269357 /nfs/dbraw/zinc/26/93/57/684269357.db2.gz BMGCYIMAYTTYJU-UHFFFAOYSA-N 1 2 361.496 2.223 20 30 FEEDLO Cc1cc(C#N)cc(C)c1C[N@@H+]1CCc2c(cccc2S(N)(=O)=O)C1 ZINC000931555961 684302659 /nfs/dbraw/zinc/30/26/59/684302659.db2.gz KKBMTLSDHKJMED-UHFFFAOYSA-N 1 2 355.463 2.381 20 30 FEEDLO Cc1cc(C#N)cc(C)c1C[N@H+]1CCc2c(cccc2S(N)(=O)=O)C1 ZINC000931555961 684302664 /nfs/dbraw/zinc/30/26/64/684302664.db2.gz KKBMTLSDHKJMED-UHFFFAOYSA-N 1 2 355.463 2.381 20 30 FEEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2cc3c(C(F)F)nn(C)c3s2)C1 ZINC000923561345 684306479 /nfs/dbraw/zinc/30/64/79/684306479.db2.gz ADRPCFGXETUQKD-JTQLQIEISA-N 1 2 352.410 2.400 20 30 FEEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cc3c(C(F)F)nn(C)c3s2)C1 ZINC000923561345 684306486 /nfs/dbraw/zinc/30/64/86/684306486.db2.gz ADRPCFGXETUQKD-JTQLQIEISA-N 1 2 352.410 2.400 20 30 FEEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)CCC(=O)CCC(=O)c2cccs2)C1 ZINC000923589596 684309624 /nfs/dbraw/zinc/30/96/24/684309624.db2.gz QTBKZKVGQNJAOP-OAHLLOKOSA-N 1 2 360.479 2.274 20 30 FEEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)CCC(=O)CCC(=O)c2cccs2)C1 ZINC000923589596 684309628 /nfs/dbraw/zinc/30/96/28/684309628.db2.gz QTBKZKVGQNJAOP-OAHLLOKOSA-N 1 2 360.479 2.274 20 30 FEEDLO COC1(OC)CCOC[C@@H]1[NH2+]Cc1ccc(C#N)cc1Br ZINC000931672452 684326380 /nfs/dbraw/zinc/32/63/80/684326380.db2.gz BHPHGOWLHSMNSI-AWEZNQCLSA-N 1 2 355.232 2.188 20 30 FEEDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)NCc1ccc(SC)c(C#N)c1 ZINC000924043376 684394256 /nfs/dbraw/zinc/39/42/56/684394256.db2.gz YVXVVSUTWFRPBE-INIZCTEOSA-N 1 2 362.499 2.190 20 30 FEEDLO CCOCCCNC(=O)C1CC[NH+](Cc2cc(C#N)cnc2Cl)CC1 ZINC000876578705 686223756 /nfs/dbraw/zinc/22/37/56/686223756.db2.gz YBAOMKQISPFBIX-UHFFFAOYSA-N 1 2 364.877 2.361 20 30 FEEDLO C=CCS(=O)(=O)CC[NH2+]Cc1nc2cc(Br)ccc2o1 ZINC000877194910 686338452 /nfs/dbraw/zinc/33/84/52/686338452.db2.gz XHHPAJQKZHFNHH-UHFFFAOYSA-N 1 2 359.245 2.281 20 30 FEEDLO C=C(Cl)COc1ccc([C@H](C)[NH2+]Cc2nnc3n2CCNC3=O)cc1 ZINC000883302998 687603906 /nfs/dbraw/zinc/60/39/06/687603906.db2.gz MXSRMPDBMGXTQP-LBPRGKRZSA-N 1 2 361.833 2.004 20 30 FEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC1(c2ccc(Cl)cc2)CCC1 ZINC000884121696 687794498 /nfs/dbraw/zinc/79/44/98/687794498.db2.gz VTHTYOVOZZCKMJ-HNNXBMFYSA-N 1 2 350.846 2.325 20 30 FEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1cc(C(F)(F)F)ccc1N(C)C ZINC000884179522 687809844 /nfs/dbraw/zinc/80/98/44/687809844.db2.gz RIEUTGHAMWRARE-NSHDSACASA-N 1 2 359.348 2.157 20 30 FEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCc2ccc(Cl)cc2[C@@H](C)C1 ZINC000884383827 687860755 /nfs/dbraw/zinc/86/07/55/687860755.db2.gz VSJRUCMYTAQBSB-LRDDRELGSA-N 1 2 350.846 2.275 20 30 FEEDLO Cn1cc[nH+]c1[C@H]1CCCN(S(=O)(=O)c2ccc(CCC#N)cc2)C1 ZINC000885145634 688023599 /nfs/dbraw/zinc/02/35/99/688023599.db2.gz ZWXFNDLMOUGIFM-INIZCTEOSA-N 1 2 358.467 2.445 20 30 FEEDLO CSC1([C@@H](C#N)N(C)S(=O)(=O)c2cccc3c2CC[N@H+](C)C3)CC1 ZINC000886420166 688251589 /nfs/dbraw/zinc/25/15/89/688251589.db2.gz YHAIAMIBEAWCBA-MRXNPFEDSA-N 1 2 365.524 2.083 20 30 FEEDLO CSC1([C@@H](C#N)N(C)S(=O)(=O)c2cccc3c2CC[N@@H+](C)C3)CC1 ZINC000886420166 688251591 /nfs/dbraw/zinc/25/15/91/688251591.db2.gz YHAIAMIBEAWCBA-MRXNPFEDSA-N 1 2 365.524 2.083 20 30 FEEDLO O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)N1CCC2(CC1)CC(=O)C=CO2 ZINC000887769325 688489528 /nfs/dbraw/zinc/48/95/28/688489528.db2.gz DJLGNOURNZBOOC-ZDUSSCGKSA-N 1 2 357.332 2.241 20 30 FEEDLO CN(Cc1cc(C#N)cs1)C(=O)c1cccn1CC[NH+]1CCOCC1 ZINC000887966833 688527663 /nfs/dbraw/zinc/52/76/63/688527663.db2.gz HDMILHYNYDVVOS-UHFFFAOYSA-N 1 2 358.467 2.026 20 30 FEEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000891607609 689083125 /nfs/dbraw/zinc/08/31/25/689083125.db2.gz VIBLFPIQVKXCKN-NSHDSACASA-N 1 2 354.237 2.146 20 30 FEEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000891607609 689083130 /nfs/dbraw/zinc/08/31/30/689083130.db2.gz VIBLFPIQVKXCKN-NSHDSACASA-N 1 2 354.237 2.146 20 30 FEEDLO CCN1CCN(C(=O)CC2CC[NH+](Cc3csc(C#N)c3)CC2)CC1 ZINC000891949467 689130160 /nfs/dbraw/zinc/13/01/60/689130160.db2.gz SFRFPFMMNYGNKY-UHFFFAOYSA-N 1 2 360.527 2.386 20 30 FEEDLO NC(=O)[C@H]([NH2+]CC#C[C@@H]1CCCCO1)c1ccc(Br)cc1 ZINC000901704419 690681997 /nfs/dbraw/zinc/68/19/97/690681997.db2.gz TYAZXHJUERPMGU-LSDHHAIUSA-N 1 2 351.244 2.138 20 30 FEEDLO NC(=O)[C@@H]([NH2+]CC#C[C@@H]1CCCCO1)c1ccc(Br)cc1 ZINC000901704416 690682024 /nfs/dbraw/zinc/68/20/24/690682024.db2.gz TYAZXHJUERPMGU-GJZGRUSLSA-N 1 2 351.244 2.138 20 30 FEEDLO NC(=NOCC1(Br)CC1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000902226508 690749999 /nfs/dbraw/zinc/74/99/99/690749999.db2.gz NNRWQTJHLGFGEM-UHFFFAOYSA-N 1 2 368.275 2.083 20 30 FEEDLO FC1(F)[C@@H]2C[NH+](Cn3cnnc3)C[C@H]2C(F)(F)C(F)(F)C1(F)F ZINC000902524598 690774608 /nfs/dbraw/zinc/77/46/08/690774608.db2.gz SKZRZEPONOGUFH-RNFRBKRXSA-N 1 2 350.213 2.338 20 30 FEEDLO N#Cc1nc(Cl)ccc1C(F)(F)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001165038810 721906087 /nfs/dbraw/zinc/90/60/87/721906087.db2.gz OZMYECFLQGNLQI-GFCCVEGCSA-N 1 2 356.804 2.453 20 30 FEEDLO N#Cc1cnc(Cl)cc1C(F)(F)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001165038824 721911106 /nfs/dbraw/zinc/91/11/06/721911106.db2.gz PEXAWWLFMQMQTI-ZDUSSCGKSA-N 1 2 356.804 2.453 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)COc3ccc(C#N)cc3)CC2)cc1 ZINC000015742066 539622578 /nfs/dbraw/zinc/62/25/78/539622578.db2.gz CUKWIESNZSHJNX-UHFFFAOYSA-N 1 2 360.417 2.153 20 30 FEEDLO C=CCNC(=O)C[NH+]1CCN(Cc2ccc(F)cc2Br)CC1 ZINC000022392742 539694201 /nfs/dbraw/zinc/69/42/01/539694201.db2.gz UOVMRGRIOYVACL-UHFFFAOYSA-N 1 2 370.266 2.008 20 30 FEEDLO Cc1nnc(NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)c(C#N)c1C ZINC000024055953 539724385 /nfs/dbraw/zinc/72/43/85/539724385.db2.gz ZFJDKGQMKZSAJO-UHFFFAOYSA-N 1 2 364.453 2.480 20 30 FEEDLO C#CC[NH+]1CCN(c2nc(C)nc3sc(C(=O)OCC)c(C)c32)CC1 ZINC000024201867 539727301 /nfs/dbraw/zinc/72/73/01/539727301.db2.gz YDGFBUSOMXKJDB-UHFFFAOYSA-N 1 2 358.467 2.240 20 30 FEEDLO Cc1ccc(OC[C@@H](O)CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000025226482 539751416 /nfs/dbraw/zinc/75/14/16/539751416.db2.gz OPTGKCZRMLLAQZ-NRFANRHFSA-N 1 2 365.477 2.424 20 30 FEEDLO Cc1ccccc1CN1CC[NH+](C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000025230350 539751741 /nfs/dbraw/zinc/75/17/41/539751741.db2.gz PIAYGZGCGFEHTM-NRFANRHFSA-N 1 2 365.477 2.424 20 30 FEEDLO CSc1[nH]c(=O)c(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)cc1C#N ZINC000025332407 539755834 /nfs/dbraw/zinc/75/58/34/539755834.db2.gz ACTDCLNCZCSGPQ-ZDUSSCGKSA-N 1 2 362.480 2.475 20 30 FEEDLO C=CCNC(=O)C[NH+]1CCN(Cc2cc(Cl)ccc2OC(F)F)CC1 ZINC000025931579 539772821 /nfs/dbraw/zinc/77/28/21/539772821.db2.gz ZRKVOCRJTMWZDD-UHFFFAOYSA-N 1 2 373.831 2.361 20 30 FEEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+](CC(N)=O)CC(C)C)c1C#N ZINC000026128159 539777075 /nfs/dbraw/zinc/77/70/75/539777075.db2.gz HXIZAEIIPRGPJW-UHFFFAOYSA-N 1 2 373.501 2.474 20 30 FEEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+](CC(N)=O)CC(C)C)c1C#N ZINC000026128159 539777080 /nfs/dbraw/zinc/77/70/80/539777080.db2.gz HXIZAEIIPRGPJW-UHFFFAOYSA-N 1 2 373.501 2.474 20 30 FEEDLO CC(C)CN(CC(C)C)C(=O)C[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000029444689 539853818 /nfs/dbraw/zinc/85/38/18/539853818.db2.gz DAHXVVDNDMFVJY-UHFFFAOYSA-N 1 2 357.502 2.216 20 30 FEEDLO C[C@@H](NC(=O)NCc1cc[nH+]c(N2CCOCC2)c1)c1ccc(C#N)cc1 ZINC000031121777 539898381 /nfs/dbraw/zinc/89/83/81/539898381.db2.gz XVSZEMZZFGOELD-OAHLLOKOSA-N 1 2 365.437 2.350 20 30 FEEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)c2sc(CC3CC3)nc2C)c1C#N ZINC000530511633 539988433 /nfs/dbraw/zinc/98/84/33/539988433.db2.gz FBWQTVJHFRGPPC-UHFFFAOYSA-N 1 2 358.471 2.403 20 30 FEEDLO C#CCNC(=O)[C@@H](C)Sc1nnc(C[NH+]2CCCC2)n1-c1ccccc1 ZINC000042101145 540051029 /nfs/dbraw/zinc/05/10/29/540051029.db2.gz UDZRTZPODIPBGF-OAHLLOKOSA-N 1 2 369.494 2.093 20 30 FEEDLO C[C@H](C(=O)N(C)CCC#N)[NH+]1CCN(Cc2ccc(F)cc2Cl)CC1 ZINC000042146263 540052711 /nfs/dbraw/zinc/05/27/11/540052711.db2.gz XHMOZLXCYFYFCS-CQSZACIVSA-N 1 2 366.868 2.357 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000045334298 540210276 /nfs/dbraw/zinc/21/02/76/540210276.db2.gz RXZXQMGYFQQJCE-UWJYYQICSA-N 1 2 367.497 2.119 20 30 FEEDLO CN(C)C(=O)c1cccc(NC(=O)C[N@H+](C)Cc2ccc(C#N)cc2)c1 ZINC000046529620 540260682 /nfs/dbraw/zinc/26/06/82/540260682.db2.gz BGXSPXYUPAYWHJ-UHFFFAOYSA-N 1 2 350.422 2.331 20 30 FEEDLO CN(C)C(=O)c1cccc(NC(=O)C[N@@H+](C)Cc2ccc(C#N)cc2)c1 ZINC000046529620 540260684 /nfs/dbraw/zinc/26/06/84/540260684.db2.gz BGXSPXYUPAYWHJ-UHFFFAOYSA-N 1 2 350.422 2.331 20 30 FEEDLO C[C@@H](C(=O)N(C)C1CCCCC1)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000047859001 540331018 /nfs/dbraw/zinc/33/10/18/540331018.db2.gz WTCSFDHWBVEFHJ-INIZCTEOSA-N 1 2 355.486 2.255 20 30 FEEDLO CC(C)[C@@H](CNC(=O)CSCc1ccc(C#N)cc1)[NH+]1CCOCC1 ZINC000048110920 540345885 /nfs/dbraw/zinc/34/58/85/540345885.db2.gz LLSIRQRAUMFATR-GOSISDBHSA-N 1 2 361.511 2.264 20 30 FEEDLO C[C@H]1CN(c2ccc(CNC(=O)NCC#Cc3ccccc3)c[nH+]2)CCO1 ZINC000048415735 540361896 /nfs/dbraw/zinc/36/18/96/540361896.db2.gz GYNJIBZMVYAIHY-KRWDZBQOSA-N 1 2 364.449 2.158 20 30 FEEDLO CC(=O)NC1CC[NH+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000050990986 540418522 /nfs/dbraw/zinc/41/85/22/540418522.db2.gz BZQLGMCJWDRKCQ-LLVKDONJSA-N 1 2 360.483 2.036 20 30 FEEDLO Cc1c(NC(=O)[C@H](C)[NH+]2CCC(C#N)CC2)c(=O)n(-c2ccccc2)n1C ZINC000057906309 540822988 /nfs/dbraw/zinc/82/29/88/540822988.db2.gz VTIZBZFVLZEBMT-HNNXBMFYSA-N 1 2 367.453 2.047 20 30 FEEDLO C=CCc1ccc(OC[C@H](O)C[NH+]2CCN(CC(F)F)CC2)c(OC)c1 ZINC000057910437 540823281 /nfs/dbraw/zinc/82/32/81/540823281.db2.gz UAHZZFVLTRVRDP-MRXNPFEDSA-N 1 2 370.440 2.046 20 30 FEEDLO COc1cc(CCNC(=O)C[NH+]2CCC(C#N)CC2)ccc1OC(F)F ZINC000061040347 541125426 /nfs/dbraw/zinc/12/54/26/541125426.db2.gz IYLVFLLCNVOUCV-UHFFFAOYSA-N 1 2 367.396 2.191 20 30 FEEDLO CC[N@@H+](CC(=O)N1CCC(NC(=O)c2ccccc2C)CC1)C[C@H](C)C#N ZINC000064249049 541197114 /nfs/dbraw/zinc/19/71/14/541197114.db2.gz YPCXHNPFWFUFKZ-MRXNPFEDSA-N 1 2 370.497 2.197 20 30 FEEDLO CC[N@H+](CC(=O)N1CCC(NC(=O)c2ccccc2C)CC1)C[C@H](C)C#N ZINC000064249049 541197116 /nfs/dbraw/zinc/19/71/16/541197116.db2.gz YPCXHNPFWFUFKZ-MRXNPFEDSA-N 1 2 370.497 2.197 20 30 FEEDLO Cc1nc(NCc2cccc(C(=O)N3CCSC[C@H]3C#N)c2)cc[nH+]1 ZINC000541707750 541250656 /nfs/dbraw/zinc/25/06/56/541250656.db2.gz PQGVGEZPXLMPEV-MRXNPFEDSA-N 1 2 353.451 2.478 20 30 FEEDLO C=CCNC(=O)C[N@H+]1CCCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000066830811 541376812 /nfs/dbraw/zinc/37/68/12/541376812.db2.gz VRXQGVNIPJXIGN-UHFFFAOYSA-N 1 2 350.850 2.182 20 30 FEEDLO C=CCNC(=O)C[N@@H+]1CCCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000066830811 541376814 /nfs/dbraw/zinc/37/68/14/541376814.db2.gz VRXQGVNIPJXIGN-UHFFFAOYSA-N 1 2 350.850 2.182 20 30 FEEDLO C=CCn1c(=O)c2ccc(C(=O)N3CCC[C@@H]([NH+](C)C)C3)cc2[nH]c1=S ZINC000068486341 541598150 /nfs/dbraw/zinc/59/81/50/541598150.db2.gz CWJNNKNGBUFOAF-CQSZACIVSA-N 1 2 372.494 2.037 20 30 FEEDLO CN(Cc1[nH+]ccn1Cc1ccccc1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000072774621 541862846 /nfs/dbraw/zinc/86/28/46/541862846.db2.gz INPFSFFDBUTROE-HXUWFJFHSA-N 1 2 359.433 2.461 20 30 FEEDLO N#Cc1c(Cl)cccc1S(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000072989695 541904612 /nfs/dbraw/zinc/90/46/12/541904612.db2.gz BBMVPCZFGHAXKV-UHFFFAOYSA-N 1 2 362.842 2.118 20 30 FEEDLO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000075673490 542196756 /nfs/dbraw/zinc/19/67/56/542196756.db2.gz NECZMLMLTRQUMF-MRXNPFEDSA-N 1 2 353.426 2.441 20 30 FEEDLO CCN(CC)C(=O)[C@H]1CCC[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000075673490 542196761 /nfs/dbraw/zinc/19/67/61/542196761.db2.gz NECZMLMLTRQUMF-MRXNPFEDSA-N 1 2 353.426 2.441 20 30 FEEDLO Cc1nc(C(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)ccc1C#N ZINC000075893715 542214708 /nfs/dbraw/zinc/21/47/08/542214708.db2.gz MHDNPAUMXIRRBG-LJQANCHMSA-N 1 2 350.422 2.065 20 30 FEEDLO CC(C)(CNC(=O)Nc1cc(C#N)ccc1OC(F)F)[NH+]1CCOCC1 ZINC000076544810 542290756 /nfs/dbraw/zinc/29/07/56/542290756.db2.gz XXNGCNMXFCYEDU-UHFFFAOYSA-N 1 2 368.384 2.392 20 30 FEEDLO C[C@@H]1CN(c2ccc(CNc3ncc([N+](=O)[O-])cc3C#N)c[nH+]2)C[C@@H](C)O1 ZINC000076777356 542321537 /nfs/dbraw/zinc/32/15/37/542321537.db2.gz WTSZNRXGEXSEOX-CHWSQXEVSA-N 1 2 368.397 2.482 20 30 FEEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[NH+]1CCC(CC(N)=O)CC1 ZINC000077168635 542349965 /nfs/dbraw/zinc/34/99/65/542349965.db2.gz MQSHPZHKDUOQHP-LLVKDONJSA-N 1 2 360.483 2.023 20 30 FEEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(c2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000077908644 542431268 /nfs/dbraw/zinc/43/12/68/542431268.db2.gz ZRSVFUDFFDDLGI-GFCCVEGCSA-N 1 2 366.387 2.366 20 30 FEEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN(C(=O)c2ccc(OC)cc2)CC1 ZINC000078901606 542486566 /nfs/dbraw/zinc/48/65/66/542486566.db2.gz WEDVVAVOWQCJLI-QGZVFWFLSA-N 1 2 373.497 2.266 20 30 FEEDLO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1nnc2n1CCC2 ZINC000079916337 542550211 /nfs/dbraw/zinc/55/02/11/542550211.db2.gz IZMOLRLYSSVQBX-UHFFFAOYSA-N 1 2 370.482 2.107 20 30 FEEDLO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1nnc2n1CCC2 ZINC000079916337 542550216 /nfs/dbraw/zinc/55/02/16/542550216.db2.gz IZMOLRLYSSVQBX-UHFFFAOYSA-N 1 2 370.482 2.107 20 30 FEEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)Cc1csc(Br)c1 ZINC000080722876 542604058 /nfs/dbraw/zinc/60/40/58/542604058.db2.gz QFPYBPUOAHDDQD-SECBINFHSA-N 1 2 360.277 2.343 20 30 FEEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)Cc1csc(Br)c1 ZINC000080722876 542604060 /nfs/dbraw/zinc/60/40/60/542604060.db2.gz QFPYBPUOAHDDQD-SECBINFHSA-N 1 2 360.277 2.343 20 30 FEEDLO N#CCC[N@@H+](CCC(=O)NC(=O)NCc1ccccc1)Cc1ccccn1 ZINC000081159698 542636792 /nfs/dbraw/zinc/63/67/92/542636792.db2.gz BICXJZFDIKRVBT-UHFFFAOYSA-N 1 2 365.437 2.213 20 30 FEEDLO N#CCC[N@H+](CCC(=O)NC(=O)NCc1ccccc1)Cc1ccccn1 ZINC000081159698 542636793 /nfs/dbraw/zinc/63/67/93/542636793.db2.gz BICXJZFDIKRVBT-UHFFFAOYSA-N 1 2 365.437 2.213 20 30 FEEDLO O=C(Nc1nc2ccc(F)cn2n1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000085740982 542732140 /nfs/dbraw/zinc/73/21/40/542732140.db2.gz XEOQLKSIVWGXDD-OAHLLOKOSA-N 1 2 355.373 2.357 20 30 FEEDLO O=C(Nc1nc2ccc(F)cn2n1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000085740982 542732142 /nfs/dbraw/zinc/73/21/42/542732142.db2.gz XEOQLKSIVWGXDD-OAHLLOKOSA-N 1 2 355.373 2.357 20 30 FEEDLO C=CCOc1ccc(C[N@H+](CC=C)[C@@H]2CCS(=O)(=O)C2)cc1OC ZINC000092361371 542859593 /nfs/dbraw/zinc/85/95/93/542859593.db2.gz NDZLVWQEKFBMDL-MRXNPFEDSA-N 1 2 351.468 2.435 20 30 FEEDLO C=CCOc1ccc(C[N@@H+](CC=C)[C@@H]2CCS(=O)(=O)C2)cc1OC ZINC000092361371 542859594 /nfs/dbraw/zinc/85/95/94/542859594.db2.gz NDZLVWQEKFBMDL-MRXNPFEDSA-N 1 2 351.468 2.435 20 30 FEEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+](C)C2(C(N)=O)CCCC2)c1C ZINC000093213417 542918275 /nfs/dbraw/zinc/91/82/75/542918275.db2.gz LHMRDWTZNOFEBL-UHFFFAOYSA-N 1 2 356.470 2.280 20 30 FEEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+](C)C2(C(N)=O)CCCC2)c1C ZINC000093213417 542918278 /nfs/dbraw/zinc/91/82/78/542918278.db2.gz LHMRDWTZNOFEBL-UHFFFAOYSA-N 1 2 356.470 2.280 20 30 FEEDLO COc1ccc(C[N@H+](CCO)Cc2cnc3ccc(C#N)cn23)c(OC)c1 ZINC000093363724 542929345 /nfs/dbraw/zinc/92/93/45/542929345.db2.gz JHPYBFWHZQRRCU-UHFFFAOYSA-N 1 2 366.421 2.218 20 30 FEEDLO COc1ccc(C[N@@H+](CCO)Cc2cnc3ccc(C#N)cn23)c(OC)c1 ZINC000093363724 542929348 /nfs/dbraw/zinc/92/93/48/542929348.db2.gz JHPYBFWHZQRRCU-UHFFFAOYSA-N 1 2 366.421 2.218 20 30 FEEDLO N#C[C@@]1(NC(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)CCSC1 ZINC000098150472 543023756 /nfs/dbraw/zinc/02/37/56/543023756.db2.gz ASVXWWIEKISZET-SFHVURJKSA-N 1 2 369.450 2.041 20 30 FEEDLO C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000101543823 543030116 /nfs/dbraw/zinc/03/01/16/543030116.db2.gz WQYOQZKSIKQQDD-AEFFLSMTSA-N 1 2 355.486 2.112 20 30 FEEDLO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000101951482 543051930 /nfs/dbraw/zinc/05/19/30/543051930.db2.gz LORVOOOKAKUBRW-AWEZNQCLSA-N 1 2 362.499 2.353 20 30 FEEDLO CCCC[N@H+]1CCCC[C@H]1CNC(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000101951482 543051931 /nfs/dbraw/zinc/05/19/31/543051931.db2.gz LORVOOOKAKUBRW-AWEZNQCLSA-N 1 2 362.499 2.353 20 30 FEEDLO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(C#N)c(Cl)c1)c1ccco1 ZINC000107537786 543272411 /nfs/dbraw/zinc/27/24/11/543272411.db2.gz OMRRNIBXFNTTQM-AWEZNQCLSA-N 1 2 353.831 2.386 20 30 FEEDLO CSc1[nH]c(=O)c(C(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)cc1C#N ZINC000111631481 543409627 /nfs/dbraw/zinc/40/96/27/543409627.db2.gz ORIWJTOETRWOAA-CYBMUJFWSA-N 1 2 370.478 2.219 20 30 FEEDLO CSc1[nH]c(=O)c(C(=O)NC[C@@H](C)[N@@H+](C)Cc2ccccc2)cc1C#N ZINC000111631481 543409630 /nfs/dbraw/zinc/40/96/30/543409630.db2.gz ORIWJTOETRWOAA-CYBMUJFWSA-N 1 2 370.478 2.219 20 30 FEEDLO C=CCOc1ccc(CN2CC[NH+](CC(=O)N3CCCC3)CC2)cc1OC ZINC000112135043 543432428 /nfs/dbraw/zinc/43/24/28/543432428.db2.gz RMTHLGFCKSZNLD-UHFFFAOYSA-N 1 2 373.497 2.000 20 30 FEEDLO C=CCOc1ccc(C[NH+]2CCN(CC(=O)N3CCCC3)CC2)cc1OC ZINC000112135043 543432430 /nfs/dbraw/zinc/43/24/30/543432430.db2.gz RMTHLGFCKSZNLD-UHFFFAOYSA-N 1 2 373.497 2.000 20 30 FEEDLO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000112982296 543470631 /nfs/dbraw/zinc/47/06/31/543470631.db2.gz MCITUJJPMQUCSM-MRXNPFEDSA-N 1 2 362.861 2.483 20 30 FEEDLO CCN(CC)C(=O)[C@H]1CCC[N@H+]1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000112982296 543470634 /nfs/dbraw/zinc/47/06/34/543470634.db2.gz MCITUJJPMQUCSM-MRXNPFEDSA-N 1 2 362.861 2.483 20 30 FEEDLO Cc1ccc(C#N)cc1S(=O)(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000114736008 543534456 /nfs/dbraw/zinc/53/44/56/543534456.db2.gz XWIGCMMGTMZWBF-GJZGRUSLSA-N 1 2 365.499 2.033 20 30 FEEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2cnc(N3CCOCC3)s2)c1 ZINC000123018829 543738160 /nfs/dbraw/zinc/73/81/60/543738160.db2.gz ULLRISFWKNRAQS-UHFFFAOYSA-N 1 2 370.478 2.032 20 30 FEEDLO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2cnc(N3CCOCC3)s2)c1 ZINC000123018829 543738162 /nfs/dbraw/zinc/73/81/62/543738162.db2.gz ULLRISFWKNRAQS-UHFFFAOYSA-N 1 2 370.478 2.032 20 30 FEEDLO C[N@@H+]1CCO[C@H]([C@H](NC(=O)c2ccc(C#N)cn2)c2ccc(Cl)cc2)C1 ZINC000126960262 543965900 /nfs/dbraw/zinc/96/59/00/543965900.db2.gz FYMKMWWHAQFKJO-ZWKOTPCHSA-N 1 2 370.840 2.408 20 30 FEEDLO C[N@H+]1CCO[C@H]([C@H](NC(=O)c2ccc(C#N)cn2)c2ccc(Cl)cc2)C1 ZINC000126960262 543965904 /nfs/dbraw/zinc/96/59/04/543965904.db2.gz FYMKMWWHAQFKJO-ZWKOTPCHSA-N 1 2 370.840 2.408 20 30 FEEDLO C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2c2n[nH]c(-c3ccccc3)n2)CC1 ZINC000128051722 544029268 /nfs/dbraw/zinc/02/92/68/544029268.db2.gz CDROJFZWXZJYFZ-SFHVURJKSA-N 1 2 363.465 2.480 20 30 FEEDLO C=CCC(CC=C)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000128663821 544065635 /nfs/dbraw/zinc/06/56/35/544065635.db2.gz XCQTYCSSYLONSE-UHFFFAOYSA-N 1 2 356.470 2.005 20 30 FEEDLO N#C[C@H](NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccccc1F ZINC000132738852 544242129 /nfs/dbraw/zinc/24/21/29/544242129.db2.gz PSUZEPXZLNGQCE-RBUKOAKNSA-N 1 2 353.397 2.408 20 30 FEEDLO N#C[C@H](NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccccc1F ZINC000132738852 544242132 /nfs/dbraw/zinc/24/21/32/544242132.db2.gz PSUZEPXZLNGQCE-RBUKOAKNSA-N 1 2 353.397 2.408 20 30 FEEDLO COc1ccc(C[NH+]2CCN(CC(=O)NC3CCCCC3)CC2)cc1C#N ZINC000135182855 544337431 /nfs/dbraw/zinc/33/74/31/544337431.db2.gz KYEJYASBIZQUCJ-UHFFFAOYSA-N 1 2 370.497 2.133 20 30 FEEDLO COc1ccc(CN2CC[NH+](CC(=O)NC3CCCCC3)CC2)cc1C#N ZINC000135182855 544337434 /nfs/dbraw/zinc/33/74/34/544337434.db2.gz KYEJYASBIZQUCJ-UHFFFAOYSA-N 1 2 370.497 2.133 20 30 FEEDLO Cc1sc(NC(=O)C[N@@H+]2CCS[C@@H]3COCC[C@@H]32)c(C#N)c1C ZINC000135546879 544352140 /nfs/dbraw/zinc/35/21/40/544352140.db2.gz HRLPHQYCFYNVFF-UONOGXRCSA-N 1 2 351.497 2.381 20 30 FEEDLO Cc1sc(NC(=O)C[N@H+]2CCS[C@@H]3COCC[C@@H]32)c(C#N)c1C ZINC000135546879 544352143 /nfs/dbraw/zinc/35/21/43/544352143.db2.gz HRLPHQYCFYNVFF-UONOGXRCSA-N 1 2 351.497 2.381 20 30 FEEDLO N#Cc1ccc(N2CC[C@H]([NH+]3CCC([C@H](O)C(F)(F)F)CC3)C2=O)cc1 ZINC000141109589 544411570 /nfs/dbraw/zinc/41/15/70/544411570.db2.gz IRTUUWIARDNCTD-HOTGVXAUSA-N 1 2 367.371 2.299 20 30 FEEDLO C#CCOc1cc(F)ccc1NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000153646573 544803103 /nfs/dbraw/zinc/80/31/03/544803103.db2.gz ZTDYQVDMVRXGLW-MRXNPFEDSA-N 1 2 361.417 2.166 20 30 FEEDLO C=CCN(Cc1ccccc1)C(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000154986949 544974160 /nfs/dbraw/zinc/97/41/60/544974160.db2.gz YTLQGBJPRDCFGQ-UHFFFAOYSA-N 1 2 350.466 2.418 20 30 FEEDLO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)c2c(F)cc(C#N)cc2F)CC1 ZINC000155007837 544976871 /nfs/dbraw/zinc/97/68/71/544976871.db2.gz HNUGCTCHNOQBNS-UHFFFAOYSA-N 1 2 373.407 2.145 20 30 FEEDLO Cc1nc(N2CCN(C(=O)CSc3ccc(C#N)cc3)CC2)cc[nH+]1 ZINC000185441915 327916753 /nfs/dbraw/zinc/91/67/53/327916753.db2.gz SWAHKRVIZWLGDQ-UHFFFAOYSA-N 1 2 353.451 2.098 20 30 FEEDLO N#Cc1ccc(Cl)cc1NC(=O)C[NH+]1CCC(Cn2cncn2)CC1 ZINC000186258029 327954084 /nfs/dbraw/zinc/95/40/84/327954084.db2.gz WOFWOUBZIURSET-UHFFFAOYSA-N 1 2 358.833 2.154 20 30 FEEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000189711855 328163750 /nfs/dbraw/zinc/16/37/50/328163750.db2.gz WSJGHJMNQBKJKZ-AWEZNQCLSA-N 1 2 364.453 2.308 20 30 FEEDLO N#Cc1ccc(C(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)cc1O ZINC000189928296 328176754 /nfs/dbraw/zinc/17/67/54/328176754.db2.gz XNDADBZESZKGDA-SFHVURJKSA-N 1 2 351.406 2.067 20 30 FEEDLO N#Cc1ccc(C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)cc1 ZINC000011525870 324370500 /nfs/dbraw/zinc/37/05/00/324370500.db2.gz YWEKPXYZOYLUIB-UHFFFAOYSA-N 1 2 362.433 2.391 20 30 FEEDLO COc1ccc(C[NH+]2CCN(c3ncccc3C#N)CC2)cc1[N+](=O)[O-] ZINC000076479457 324946181 /nfs/dbraw/zinc/94/61/81/324946181.db2.gz CSEQVNLFJMBBLS-UHFFFAOYSA-N 1 2 353.382 2.192 20 30 FEEDLO COc1ccc(NC(=O)C[NH+]2CCN(c3ccccc3C#N)CC2)cc1 ZINC000101555021 325471533 /nfs/dbraw/zinc/47/15/33/325471533.db2.gz QWGMLLCUILGNIJ-UHFFFAOYSA-N 1 2 350.422 2.328 20 30 FEEDLO C[C@@H](c1cccnc1)[NH+]1CCN(C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000118836553 326106704 /nfs/dbraw/zinc/10/67/04/326106704.db2.gz YIYQRFVZDSLQCY-PXNSSMCTSA-N 1 2 366.465 2.072 20 30 FEEDLO CCO[C@@H](C)c1noc(C[N@@H+]2CCCN(c3ncccc3C#N)CC2)n1 ZINC000120528729 326265990 /nfs/dbraw/zinc/26/59/90/326265990.db2.gz MWWXUEAWZDUAOE-AWEZNQCLSA-N 1 2 356.430 2.146 20 30 FEEDLO CCO[C@@H](C)c1noc(C[N@H+]2CCCN(c3ncccc3C#N)CC2)n1 ZINC000120528729 326265992 /nfs/dbraw/zinc/26/59/92/326265992.db2.gz MWWXUEAWZDUAOE-AWEZNQCLSA-N 1 2 356.430 2.146 20 30 FEEDLO COc1cc(C#N)ccc1C[NH+]1CCN(CC(=O)NC2CCCCC2)CC1 ZINC000121378552 326334246 /nfs/dbraw/zinc/33/42/46/326334246.db2.gz ZRKYNFIPBRXHOV-UHFFFAOYSA-N 1 2 370.497 2.133 20 30 FEEDLO COc1cc(C#N)ccc1CN1CC[NH+](CC(=O)NC2CCCCC2)CC1 ZINC000121378552 326334248 /nfs/dbraw/zinc/33/42/48/326334248.db2.gz ZRKYNFIPBRXHOV-UHFFFAOYSA-N 1 2 370.497 2.133 20 30 FEEDLO CCc1nnc(N2CC[NH+](Cc3c(C)nn(C)c3C)CC2)c(C#N)c1CC ZINC000125625392 326474997 /nfs/dbraw/zinc/47/49/97/326474997.db2.gz KXXVYVKMDKTHSI-UHFFFAOYSA-N 1 2 367.501 2.146 20 30 FEEDLO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(C#N)nc1)c1ccccc1Cl ZINC000170655774 327091339 /nfs/dbraw/zinc/09/13/39/327091339.db2.gz DJUUSJIWAXDWBQ-INIZCTEOSA-N 1 2 364.858 2.188 20 30 FEEDLO N#Cc1cccc(CNC(=O)N2CCC[N@H+](Cc3cscn3)CC2)c1 ZINC000171160931 327121638 /nfs/dbraw/zinc/12/16/38/327121638.db2.gz VULNLMSVUGAYII-UHFFFAOYSA-N 1 2 355.467 2.432 20 30 FEEDLO N#Cc1cccc(CNC(=O)N2CCC[N@@H+](Cc3cscn3)CC2)c1 ZINC000171160931 327121640 /nfs/dbraw/zinc/12/16/40/327121640.db2.gz VULNLMSVUGAYII-UHFFFAOYSA-N 1 2 355.467 2.432 20 30 FEEDLO CCOc1ccc(C[NH+]2CCN(C(=O)c3ccc(C#N)cn3)CC2)cc1 ZINC000171588508 327147026 /nfs/dbraw/zinc/14/70/26/327147026.db2.gz LTMRIYMHROMVOD-UHFFFAOYSA-N 1 2 350.422 2.310 20 30 FEEDLO C[C@]([NH2+]CC(=O)Nc1ccc(C#N)cc1)(C(N)=O)c1cccc(Cl)c1 ZINC000177394489 327519294 /nfs/dbraw/zinc/51/92/94/327519294.db2.gz MYBZIYIHCUQWQJ-GOSISDBHSA-N 1 2 356.813 2.140 20 30 FEEDLO N#Cc1ccccc1N1CCN(C(=O)NCCc2cn3ccccc3[nH+]2)CC1 ZINC000263694712 328953168 /nfs/dbraw/zinc/95/31/68/328953168.db2.gz MZZBVOOLUJLSRJ-UHFFFAOYSA-N 1 2 374.448 2.280 20 30 FEEDLO C[C@H](NC(=O)CC(C)(C)C)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000275129896 330013742 /nfs/dbraw/zinc/01/37/42/330013742.db2.gz KWRMWSPUJYYNFN-INIZCTEOSA-N 1 2 370.497 2.143 20 30 FEEDLO C[C@@H]1C[N@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)CC2(CCOCC2)O1 ZINC000279070264 330172364 /nfs/dbraw/zinc/17/23/64/330172364.db2.gz JXOUOXFHBVWGBJ-CYBMUJFWSA-N 1 2 363.845 2.420 20 30 FEEDLO C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)CC2(CCOCC2)O1 ZINC000279070264 330172366 /nfs/dbraw/zinc/17/23/66/330172366.db2.gz JXOUOXFHBVWGBJ-CYBMUJFWSA-N 1 2 363.845 2.420 20 30 FEEDLO N#Cc1cccc(Cn2nnc([C@H]3C[N@H+](Cc4ccccc4)CCO3)n2)c1 ZINC000375787227 330251479 /nfs/dbraw/zinc/25/14/79/330251479.db2.gz DRPNQKDRTQPELE-LJQANCHMSA-N 1 2 360.421 2.167 20 30 FEEDLO N#Cc1cccc(Cn2nnc([C@H]3C[N@@H+](Cc4ccccc4)CCO3)n2)c1 ZINC000375787227 330251481 /nfs/dbraw/zinc/25/14/81/330251481.db2.gz DRPNQKDRTQPELE-LJQANCHMSA-N 1 2 360.421 2.167 20 30 FEEDLO COCC[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)[C@H]1CCCSC1 ZINC000433186791 330275657 /nfs/dbraw/zinc/27/56/57/330275657.db2.gz LFJWLSNGEFRCKN-INIZCTEOSA-N 1 2 368.524 2.176 20 30 FEEDLO COCC[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)[C@H]1CCCSC1 ZINC000433186791 330275658 /nfs/dbraw/zinc/27/56/58/330275658.db2.gz LFJWLSNGEFRCKN-INIZCTEOSA-N 1 2 368.524 2.176 20 30 FEEDLO Cc1nc(C[NH+]2CCC(C(=O)OC3CCN(CC#N)CC3)CC2)cs1 ZINC000805898554 674359265 /nfs/dbraw/zinc/35/92/65/674359265.db2.gz PDYUXXVJBCBKQT-UHFFFAOYSA-N 1 2 362.499 2.195 20 30 FEEDLO Cn1cc(C[N@H+](C)CC(=O)Nc2cccc(C#N)c2)c(C(F)(F)F)n1 ZINC000155327432 545512336 /nfs/dbraw/zinc/51/23/36/545512336.db2.gz SDPRXDOVJLREIB-UHFFFAOYSA-N 1 2 351.332 2.381 20 30 FEEDLO Cn1cc(C[N@@H+](C)CC(=O)Nc2cccc(C#N)c2)c(C(F)(F)F)n1 ZINC000155327432 545512337 /nfs/dbraw/zinc/51/23/37/545512337.db2.gz SDPRXDOVJLREIB-UHFFFAOYSA-N 1 2 351.332 2.381 20 30 FEEDLO CC(C)CCC[C@H](C)NC(=O)C[N@@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000155677560 545556969 /nfs/dbraw/zinc/55/69/69/545556969.db2.gz RPOMJWRGJLLBEQ-DLBZAZTESA-N 1 2 372.517 2.190 20 30 FEEDLO CC(C)CCC[C@H](C)NC(=O)C[N@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000155677560 545556972 /nfs/dbraw/zinc/55/69/72/545556972.db2.gz RPOMJWRGJLLBEQ-DLBZAZTESA-N 1 2 372.517 2.190 20 30 FEEDLO N#Cc1ccc2[nH+]cc(CNc3ccc(CN4C(=O)CCC4=O)cc3)n2c1 ZINC000156257855 545611943 /nfs/dbraw/zinc/61/19/43/545611943.db2.gz FMMLQAWUWFIXLH-UHFFFAOYSA-N 1 2 359.389 2.467 20 30 FEEDLO CCO[C@H]1C[C@@H]([N@H+](C)CCS(=O)(=O)c2cccc(C#N)c2)C1(C)C ZINC000156782691 545660486 /nfs/dbraw/zinc/66/04/86/545660486.db2.gz MTFFVOWEXGSHHZ-SJORKVTESA-N 1 2 350.484 2.467 20 30 FEEDLO CCO[C@H]1C[C@@H]([N@@H+](C)CCS(=O)(=O)c2cccc(C#N)c2)C1(C)C ZINC000156782691 545660490 /nfs/dbraw/zinc/66/04/90/545660490.db2.gz MTFFVOWEXGSHHZ-SJORKVTESA-N 1 2 350.484 2.467 20 30 FEEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+](CCO)Cc2cccnc2)c1C ZINC000156816513 545663483 /nfs/dbraw/zinc/66/34/83/545663483.db2.gz OXOVIEUDYNYERG-UHFFFAOYSA-N 1 2 366.465 2.440 20 30 FEEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+](CCO)Cc2cccnc2)c1C ZINC000156816513 545663490 /nfs/dbraw/zinc/66/34/90/545663490.db2.gz OXOVIEUDYNYERG-UHFFFAOYSA-N 1 2 366.465 2.440 20 30 FEEDLO CCOCCO[C@H]1CC[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000157641284 545764824 /nfs/dbraw/zinc/76/48/24/545764824.db2.gz KNWJKFVDRCYCJS-HNNXBMFYSA-N 1 2 351.834 2.278 20 30 FEEDLO CCOCCO[C@H]1CC[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000157641284 545764830 /nfs/dbraw/zinc/76/48/30/545764830.db2.gz KNWJKFVDRCYCJS-HNNXBMFYSA-N 1 2 351.834 2.278 20 30 FEEDLO N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CC[NH+](C2CC2)CC1 ZINC000158802627 545896548 /nfs/dbraw/zinc/89/65/48/545896548.db2.gz JEFXPXIJRIRDCI-UHFFFAOYSA-N 1 2 359.373 2.046 20 30 FEEDLO CCN1CC[NH+]([C@H]2CCN(C(=O)N[C@H](CCC#N)c3ccccc3)C2)CC1 ZINC000160665609 546061094 /nfs/dbraw/zinc/06/10/94/546061094.db2.gz PNUXIKAWOSIEOR-VQTJNVASSA-N 1 2 369.513 2.453 20 30 FEEDLO CN(C(=O)C[NH+]1CCC([C@@H](O)C(F)(F)F)CC1)C1(C#N)CCCCC1 ZINC000161663393 546132881 /nfs/dbraw/zinc/13/28/81/546132881.db2.gz HATPUGBWFWGPGK-OAHLLOKOSA-N 1 2 361.408 2.306 20 30 FEEDLO CCC[N@H+](CC(=O)NC)CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC000163324087 546143382 /nfs/dbraw/zinc/14/33/82/546143382.db2.gz HTAZDGUOQLMBKX-UHFFFAOYSA-N 1 2 364.877 2.353 20 30 FEEDLO CCC[N@@H+](CC(=O)NC)CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC000163324087 546143388 /nfs/dbraw/zinc/14/33/88/546143388.db2.gz HTAZDGUOQLMBKX-UHFFFAOYSA-N 1 2 364.877 2.353 20 30 FEEDLO C[C@](C#N)(NC(=O)CN1CC[NH+](Cc2ccccc2Cl)CC1)C1CC1 ZINC000165790920 546153873 /nfs/dbraw/zinc/15/38/73/546153873.db2.gz QCMCCIASFUVJFU-LJQANCHMSA-N 1 2 360.889 2.266 20 30 FEEDLO N#CCSCCC[NH+]1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000173859370 546288595 /nfs/dbraw/zinc/28/85/95/546288595.db2.gz KBPRJPHAQGOJGM-UHFFFAOYSA-N 1 2 373.931 2.293 20 30 FEEDLO O=C(NCCn1cc[nH+]c1)C(=O)Nc1ccccc1C#Cc1ccccc1 ZINC000175815171 546355147 /nfs/dbraw/zinc/35/51/47/546355147.db2.gz HYEPQDJUGFNIFQ-UHFFFAOYSA-N 1 2 358.401 2.038 20 30 FEEDLO CC(C)c1cccc(NC(=O)CN(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000176264273 546425451 /nfs/dbraw/zinc/42/54/51/546425451.db2.gz BZUQLXPMIKANAT-UHFFFAOYSA-N 1 2 358.486 2.296 20 30 FEEDLO CCCC(=O)NC[C@H]1CCC[N@@H+]([C@H](C(=O)OC)c2cccc(C#N)c2)C1 ZINC000177038811 546529710 /nfs/dbraw/zinc/52/97/10/546529710.db2.gz RIWZHJZLYAZTQL-APWZRJJASA-N 1 2 357.454 2.401 20 30 FEEDLO CCCC(=O)NC[C@H]1CCC[N@H+]([C@H](C(=O)OC)c2cccc(C#N)c2)C1 ZINC000177038811 546529714 /nfs/dbraw/zinc/52/97/14/546529714.db2.gz RIWZHJZLYAZTQL-APWZRJJASA-N 1 2 357.454 2.401 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)NCC[N@H+]2CC=CCC2)cc1C(F)(F)F ZINC000480794644 561216942 /nfs/dbraw/zinc/21/69/42/561216942.db2.gz KOYODMDJOFSGCI-UHFFFAOYSA-N 1 2 359.373 2.117 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)NCC[N@@H+]2CC=CCC2)cc1C(F)(F)F ZINC000480794644 561216943 /nfs/dbraw/zinc/21/69/43/561216943.db2.gz KOYODMDJOFSGCI-UHFFFAOYSA-N 1 2 359.373 2.117 20 30 FEEDLO N#Cc1cc(NC(=O)C(=O)N2CCC(n3cc[nH+]c3)CC2)ccc1Cl ZINC000177434117 546617855 /nfs/dbraw/zinc/61/78/55/546617855.db2.gz WVDAESRVUGLRIL-UHFFFAOYSA-N 1 2 357.801 2.210 20 30 FEEDLO N#C[C@H]1CN(C(=O)NCc2ccn3cc[nH+]c3c2)CCN1Cc1ccccc1 ZINC000177792471 546688246 /nfs/dbraw/zinc/68/82/46/546688246.db2.gz LOULQUSRPPSACO-IBGZPJMESA-N 1 2 374.448 2.254 20 30 FEEDLO C=CC[N@@H+](Cc1ccc(OC(F)F)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000178858542 546861988 /nfs/dbraw/zinc/86/19/88/546861988.db2.gz FXMHODLHVDKAFT-CYBMUJFWSA-N 1 2 361.410 2.472 20 30 FEEDLO C=CC[N@H+](Cc1ccc(OC(F)F)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000178858542 546861991 /nfs/dbraw/zinc/86/19/91/546861991.db2.gz FXMHODLHVDKAFT-CYBMUJFWSA-N 1 2 361.410 2.472 20 30 FEEDLO COCCO[C@@H]1CCC[N@H+](CC(=O)Nc2sc(C)c(C)c2C#N)C1 ZINC000179364440 546940496 /nfs/dbraw/zinc/94/04/96/546940496.db2.gz OHWZYDNKMZXCQJ-CQSZACIVSA-N 1 2 351.472 2.303 20 30 FEEDLO COCCO[C@@H]1CCC[N@@H+](CC(=O)Nc2sc(C)c(C)c2C#N)C1 ZINC000179364440 546940498 /nfs/dbraw/zinc/94/04/98/546940498.db2.gz OHWZYDNKMZXCQJ-CQSZACIVSA-N 1 2 351.472 2.303 20 30 FEEDLO C=CC[N@@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000179967368 547034630 /nfs/dbraw/zinc/03/46/30/547034630.db2.gz OPGJXTPSEOCDDY-SFHVURJKSA-N 1 2 370.478 2.134 20 30 FEEDLO C=CC[N@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000179967368 547034636 /nfs/dbraw/zinc/03/46/36/547034636.db2.gz OPGJXTPSEOCDDY-SFHVURJKSA-N 1 2 370.478 2.134 20 30 FEEDLO Cn1cc(C[N@H+](CC(N)=O)Cc2ccccc2)c(-c2ccc(C#N)cc2)n1 ZINC000180142016 547057332 /nfs/dbraw/zinc/05/73/32/547057332.db2.gz HTLJONIBFKBAEN-UHFFFAOYSA-N 1 2 359.433 2.446 20 30 FEEDLO Cn1cc(C[N@@H+](CC(N)=O)Cc2ccccc2)c(-c2ccc(C#N)cc2)n1 ZINC000180142016 547057335 /nfs/dbraw/zinc/05/73/35/547057335.db2.gz HTLJONIBFKBAEN-UHFFFAOYSA-N 1 2 359.433 2.446 20 30 FEEDLO O=[N+]([O-])c1ccc(O)c(/C=N/Cc2ccccc2C[N@H+]2CC[C@H](O)C2)c1 ZINC000180422551 547105559 /nfs/dbraw/zinc/10/55/59/547105559.db2.gz UCQXEMXEMFTJOM-PQFHHTBUSA-N 1 2 355.394 2.486 20 30 FEEDLO O=[N+]([O-])c1ccc(O)c(/C=N/Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)c1 ZINC000180422551 547105563 /nfs/dbraw/zinc/10/55/63/547105563.db2.gz UCQXEMXEMFTJOM-PQFHHTBUSA-N 1 2 355.394 2.486 20 30 FEEDLO CCn1nccc1C[N@H+](CCO)Cc1ccc(C#N)cc1OC(F)F ZINC000482922116 561263234 /nfs/dbraw/zinc/26/32/34/561263234.db2.gz WFROVQATGQHJOZ-UHFFFAOYSA-N 1 2 350.369 2.371 20 30 FEEDLO CCn1nccc1C[N@@H+](CCO)Cc1ccc(C#N)cc1OC(F)F ZINC000482922116 561263235 /nfs/dbraw/zinc/26/32/35/561263235.db2.gz WFROVQATGQHJOZ-UHFFFAOYSA-N 1 2 350.369 2.371 20 30 FEEDLO N#Cc1ccc(CN2CC[C@@H]([NH+]3CCOCC3)C2)c(Br)c1 ZINC000181121007 547253916 /nfs/dbraw/zinc/25/39/16/547253916.db2.gz VUIDMZRWPKMZPK-OAHLLOKOSA-N 1 2 350.260 2.227 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1c(C2CC2)nc2sccn12 ZINC000183372703 547646163 /nfs/dbraw/zinc/64/61/63/547646163.db2.gz CBLMDWTXOAORNR-UHFFFAOYSA-N 1 2 359.499 2.321 20 30 FEEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCOCC3(CCOCC3)C2)c(C#N)c1C ZINC000184123217 547773456 /nfs/dbraw/zinc/77/34/56/547773456.db2.gz RWWOKQAOGNQOLH-CQSZACIVSA-N 1 2 361.442 2.224 20 30 FEEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCOCC3(CCOCC3)C2)c(C#N)c1C ZINC000184123217 547773459 /nfs/dbraw/zinc/77/34/59/547773459.db2.gz RWWOKQAOGNQOLH-CQSZACIVSA-N 1 2 361.442 2.224 20 30 FEEDLO N#Cc1cccc(S(=O)(=O)CC[NH+]2CCC(O)(c3ccccc3)CC2)c1 ZINC000185490857 547991874 /nfs/dbraw/zinc/99/18/74/547991874.db2.gz LVSTYWRHAYXUMP-UHFFFAOYSA-N 1 2 370.474 2.316 20 30 FEEDLO CCN(CCC#N)C(=O)C[NH+]1CCC(O)(c2c(F)cccc2F)CC1 ZINC000186487177 548142717 /nfs/dbraw/zinc/14/27/17/548142717.db2.gz KBUXMRIRGLJWJS-UHFFFAOYSA-N 1 2 351.397 2.010 20 30 FEEDLO C=CCN(CC=C)C(=O)C[NH+]1CCC(O)(c2c(F)cccc2F)CC1 ZINC000186501058 548144648 /nfs/dbraw/zinc/14/46/48/548144648.db2.gz ALTLAOFFUBARTI-UHFFFAOYSA-N 1 2 350.409 2.449 20 30 FEEDLO C=CCN(CC(F)(F)F)C(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C ZINC000486022287 561335593 /nfs/dbraw/zinc/33/55/93/561335593.db2.gz BNSFRLZHKQOOPQ-CYBMUJFWSA-N 1 2 360.380 2.060 20 30 FEEDLO C=CCN(CC(F)(F)F)C(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C ZINC000486022287 561335594 /nfs/dbraw/zinc/33/55/94/561335594.db2.gz BNSFRLZHKQOOPQ-CYBMUJFWSA-N 1 2 360.380 2.060 20 30 FEEDLO CC[N@@H+](CC(=O)Nc1ccccc1SCC#N)C[C@@H](O)C(F)(F)F ZINC000189511910 548304930 /nfs/dbraw/zinc/30/49/30/548304930.db2.gz LNMNHVPAHMMEJT-CYBMUJFWSA-N 1 2 361.389 2.486 20 30 FEEDLO CC[N@H+](CC(=O)Nc1ccccc1SCC#N)C[C@@H](O)C(F)(F)F ZINC000189511910 548304935 /nfs/dbraw/zinc/30/49/35/548304935.db2.gz LNMNHVPAHMMEJT-CYBMUJFWSA-N 1 2 361.389 2.486 20 30 FEEDLO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)CNc1ccc(C#N)cc1 ZINC000486448381 561347253 /nfs/dbraw/zinc/34/72/53/561347253.db2.gz OGMHZKVDAAWBPS-UHFFFAOYSA-N 1 2 351.332 2.388 20 30 FEEDLO CCS(=O)(=O)CCCCC[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000190880864 548335915 /nfs/dbraw/zinc/33/59/15/548335915.db2.gz FPXUEIXZNKLAAS-LJQANCHMSA-N 1 2 363.527 2.474 20 30 FEEDLO O=c1[nH]c(CN2CC[NH+](CC#Cc3ccccc3)CC2)nc2ccccc21 ZINC000192081294 548356914 /nfs/dbraw/zinc/35/69/14/548356914.db2.gz WRHZSNGIIYWBEE-UHFFFAOYSA-N 1 2 358.445 2.092 20 30 FEEDLO Cc1oc(NC(=O)[C@H](C)[NH2+][C@H](C)c2nnc3ccccn32)c(C#N)c1C ZINC000193323705 548385961 /nfs/dbraw/zinc/38/59/61/548385961.db2.gz DIWMVBFNUZGTOH-NEPJUHHUSA-N 1 2 352.398 2.489 20 30 FEEDLO C=CCSCCNC(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000194565891 548499683 /nfs/dbraw/zinc/49/96/83/548499683.db2.gz RNXRCHJKXNRNTD-AWEZNQCLSA-N 1 2 350.488 2.025 20 30 FEEDLO N#CCCN(CCC#N)C(=O)C[NH2+][C@@H](c1nccs1)c1ccccc1 ZINC000195075520 548574036 /nfs/dbraw/zinc/57/40/36/548574036.db2.gz LAXDHYCYPLTMNH-QGZVFWFLSA-N 1 2 353.451 2.478 20 30 FEEDLO N#Cc1ccnc(C(=O)NCc2cn3cc(Br)ccc3[nH+]2)c1 ZINC000487545756 561371751 /nfs/dbraw/zinc/37/17/51/561371751.db2.gz UPIJPUTZMBSJTR-UHFFFAOYSA-N 1 2 356.183 2.293 20 30 FEEDLO C=CCCC[C@@H](C)NC(=O)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000487784273 561375634 /nfs/dbraw/zinc/37/56/34/561375634.db2.gz SHXBJZUZBVODND-QGZVFWFLSA-N 1 2 368.481 2.063 20 30 FEEDLO C[N@@H+]1CCO[C@@H](C(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)C1 ZINC000245457608 548926547 /nfs/dbraw/zinc/92/65/47/548926547.db2.gz JYNLZHKTYIAQJM-WOJBJXKFSA-N 1 2 365.433 2.277 20 30 FEEDLO C[N@H+]1CCO[C@@H](C(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)C1 ZINC000245457608 548926552 /nfs/dbraw/zinc/92/65/52/548926552.db2.gz JYNLZHKTYIAQJM-WOJBJXKFSA-N 1 2 365.433 2.277 20 30 FEEDLO Cn1c(C[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)nc2cc(Cl)ccc21 ZINC000488131175 561384146 /nfs/dbraw/zinc/38/41/46/561384146.db2.gz YAXSZXVHLMFYJQ-QGZVFWFLSA-N 1 2 353.813 2.415 20 30 FEEDLO CC[N@H+](CC(=O)Nc1ccccc1OC)[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000488527028 561391322 /nfs/dbraw/zinc/39/13/22/561391322.db2.gz HWDBYHOBZKPWOX-YWZLYKJASA-N 1 2 374.485 2.399 20 30 FEEDLO CC[N@@H+](CC(=O)Nc1ccccc1OC)[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000488527028 561391323 /nfs/dbraw/zinc/39/13/23/561391323.db2.gz HWDBYHOBZKPWOX-YWZLYKJASA-N 1 2 374.485 2.399 20 30 FEEDLO Cc1oc(NC(=O)C[N@@H+]2CC[C@@H]3[C@@H](CCC(=O)N3C3CC3)C2)c(C#N)c1C ZINC000246521656 549152306 /nfs/dbraw/zinc/15/23/06/549152306.db2.gz JAFKMDNIWMIXTG-WMLDXEAASA-N 1 2 370.453 2.182 20 30 FEEDLO Cc1oc(NC(=O)C[N@H+]2CC[C@@H]3[C@@H](CCC(=O)N3C3CC3)C2)c(C#N)c1C ZINC000246521656 549152309 /nfs/dbraw/zinc/15/23/09/549152309.db2.gz JAFKMDNIWMIXTG-WMLDXEAASA-N 1 2 370.453 2.182 20 30 FEEDLO C=CCC[C@@H](O)C[N@@H+]1CCNC(=O)[C@H]1c1ccc(OC(F)(F)F)cc1 ZINC000248798770 549503635 /nfs/dbraw/zinc/50/36/35/549503635.db2.gz PPEGWOOTRNVLPC-UKRRQHHQSA-N 1 2 358.360 2.385 20 30 FEEDLO C=CCC[C@@H](O)C[N@H+]1CCNC(=O)[C@H]1c1ccc(OC(F)(F)F)cc1 ZINC000248798770 549503637 /nfs/dbraw/zinc/50/36/37/549503637.db2.gz PPEGWOOTRNVLPC-UKRRQHHQSA-N 1 2 358.360 2.385 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)[C@H]1CCN(c2ccccc2F)C1=O ZINC000489764002 561418548 /nfs/dbraw/zinc/41/85/48/561418548.db2.gz GSISNVRZVDNHST-LIVBEALHSA-N 1 2 374.460 2.306 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)[C@H]1CCN(c2ccccc2F)C1=O ZINC000489764002 561418549 /nfs/dbraw/zinc/41/85/49/561418549.db2.gz GSISNVRZVDNHST-LIVBEALHSA-N 1 2 374.460 2.306 20 30 FEEDLO COc1ccccc1[C@@H]1C[NH2+]CCN1S(=O)(=O)c1cccc(C)c1C#N ZINC000261706876 549745720 /nfs/dbraw/zinc/74/57/20/549745720.db2.gz JQBZGUAAARANQR-KRWDZBQOSA-N 1 2 371.462 2.211 20 30 FEEDLO C#CCC[NH+]1CCN(C(=O)c2csc(-c3ccc4c(c3)OCO4)n2)CC1 ZINC000263815998 549941058 /nfs/dbraw/zinc/94/10/58/549941058.db2.gz OQCHLSRSAIKBQG-UHFFFAOYSA-N 1 2 369.446 2.320 20 30 FEEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CCc2ccc(C(C)C)cc2)CC1 ZINC000264126747 549981796 /nfs/dbraw/zinc/98/17/96/549981796.db2.gz SHTRAQFCLGEKDH-UHFFFAOYSA-N 1 2 369.509 2.026 20 30 FEEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CCc2ccc(C(C)C)cc2)CC1 ZINC000264126747 549981797 /nfs/dbraw/zinc/98/17/97/549981797.db2.gz SHTRAQFCLGEKDH-UHFFFAOYSA-N 1 2 369.509 2.026 20 30 FEEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+](C)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000265983715 550015686 /nfs/dbraw/zinc/01/56/86/550015686.db2.gz GNQBHFWTFOAAND-LLVKDONJSA-N 1 2 369.368 2.209 20 30 FEEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+](C)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000265983715 550015687 /nfs/dbraw/zinc/01/56/87/550015687.db2.gz GNQBHFWTFOAAND-LLVKDONJSA-N 1 2 369.368 2.209 20 30 FEEDLO C=CCNC(=O)c1ccc(N2CCN(C3=[NH+]CC(C)(C)S3)CC2)nc1 ZINC000269343284 550183392 /nfs/dbraw/zinc/18/33/92/550183392.db2.gz KWZHSXVAENJXPM-UHFFFAOYSA-N 1 2 359.499 2.001 20 30 FEEDLO CN(Cc1[nH+]ccn1C)S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000269676932 550216146 /nfs/dbraw/zinc/21/61/46/550216146.db2.gz RBPCMUSKLLZZTI-UHFFFAOYSA-N 1 2 358.345 2.131 20 30 FEEDLO C#CC[C@H](NC(=O)N1CC[C@H]([NH+]2CCN(CC)CC2)C1)c1ccccc1 ZINC000270375317 550266730 /nfs/dbraw/zinc/26/67/30/550266730.db2.gz UVDIYLTVVFDEDH-PMACEKPBSA-N 1 2 354.498 2.172 20 30 FEEDLO NC(=NOCc1ncc(C2CC2)o1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000270456167 550274028 /nfs/dbraw/zinc/27/40/28/550274028.db2.gz PMVCTMWOUHKAAX-UHFFFAOYSA-N 1 2 356.426 2.221 20 30 FEEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC[C@@H](N2CCCC2=O)C1 ZINC000270483798 550276503 /nfs/dbraw/zinc/27/65/03/550276503.db2.gz ACRANRCLZPLAMK-SWLSCSKDSA-N 1 2 360.845 2.235 20 30 FEEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@@H](N2CCCC2=O)C1 ZINC000270483798 550276505 /nfs/dbraw/zinc/27/65/05/550276505.db2.gz ACRANRCLZPLAMK-SWLSCSKDSA-N 1 2 360.845 2.235 20 30 FEEDLO CN(C(=O)C[NH+]1CCN(c2cncc(F)c2)CC1)C1(C#N)CCCCC1 ZINC000270909529 550319566 /nfs/dbraw/zinc/31/95/66/550319566.db2.gz NTLOCZWOFGOBNU-UHFFFAOYSA-N 1 2 359.449 2.028 20 30 FEEDLO COc1ccc(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)c(OC)c1OC ZINC000271026472 550333381 /nfs/dbraw/zinc/33/33/81/550333381.db2.gz DXTHYVUCUAQGIQ-UHFFFAOYSA-N 1 2 368.437 2.301 20 30 FEEDLO CC(C)(C)[C@H]1CC[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C[C@@H]1O ZINC000272306338 550436945 /nfs/dbraw/zinc/43/69/45/550436945.db2.gz IADWTMWBTNJHAA-IRXDYDNUSA-N 1 2 350.484 2.061 20 30 FEEDLO CC(C)(C)[C@H]1CC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C[C@@H]1O ZINC000272306338 550436947 /nfs/dbraw/zinc/43/69/47/550436947.db2.gz IADWTMWBTNJHAA-IRXDYDNUSA-N 1 2 350.484 2.061 20 30 FEEDLO CC(C)(C)[C@@H]1CC[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C[C@H]1O ZINC000272306337 550437082 /nfs/dbraw/zinc/43/70/82/550437082.db2.gz IADWTMWBTNJHAA-IAGOWNOFSA-N 1 2 350.484 2.061 20 30 FEEDLO CC(C)(C)[C@@H]1CC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C[C@H]1O ZINC000272306337 550437083 /nfs/dbraw/zinc/43/70/83/550437083.db2.gz IADWTMWBTNJHAA-IAGOWNOFSA-N 1 2 350.484 2.061 20 30 FEEDLO CC1(C#N)CCN(C(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)CC1 ZINC000272700025 550465859 /nfs/dbraw/zinc/46/58/59/550465859.db2.gz YGEPSISDSKSRQD-LJQANCHMSA-N 1 2 370.497 2.265 20 30 FEEDLO Cc1nnc([C@@H](C)NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000273642742 550506439 /nfs/dbraw/zinc/50/64/39/550506439.db2.gz HRAWDQMFCUSTOB-CYBMUJFWSA-N 1 2 370.482 2.307 20 30 FEEDLO C#CCOc1ccccc1NC(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000274799229 550555328 /nfs/dbraw/zinc/55/53/28/550555328.db2.gz JREOVWUMYNIXEB-UHFFFAOYSA-N 1 2 366.421 2.252 20 30 FEEDLO C[NH+](C)C1(C#N)CCN(C(=O)N[C@H]2CCCN(c3ccccc3)C2)CC1 ZINC000274896207 550563146 /nfs/dbraw/zinc/56/31/46/550563146.db2.gz CFMXZDMEDQIINS-KRWDZBQOSA-N 1 2 355.486 2.285 20 30 FEEDLO CC[C@H](CC#N)NC(=O)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000275821090 550574501 /nfs/dbraw/zinc/57/45/01/550574501.db2.gz QALYSAVYJIBYGJ-OAHLLOKOSA-N 1 2 363.421 2.349 20 30 FEEDLO COC(=O)[C@H]1CC[N@H+](CC(=O)Nc2ccccc2SCC#N)C[C@@H]1C ZINC000276387979 550578447 /nfs/dbraw/zinc/57/84/47/550578447.db2.gz HVOMEFONWQSJCS-KBPBESRZSA-N 1 2 361.467 2.372 20 30 FEEDLO COC(=O)[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2SCC#N)C[C@@H]1C ZINC000276387979 550578449 /nfs/dbraw/zinc/57/84/49/550578449.db2.gz HVOMEFONWQSJCS-KBPBESRZSA-N 1 2 361.467 2.372 20 30 FEEDLO N#Cc1ccc(Br)c(C[N@@H+]2CC[C@H](NC(=O)NC3CC3)C2)c1 ZINC000276925148 550611975 /nfs/dbraw/zinc/61/19/75/550611975.db2.gz PVMYGDOUFDYAAD-AWEZNQCLSA-N 1 2 363.259 2.357 20 30 FEEDLO N#Cc1ccc(Br)c(C[N@H+]2CC[C@H](NC(=O)NC3CC3)C2)c1 ZINC000276925148 550611977 /nfs/dbraw/zinc/61/19/77/550611977.db2.gz PVMYGDOUFDYAAD-AWEZNQCLSA-N 1 2 363.259 2.357 20 30 FEEDLO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CC[C@H](C)[S@@](=O)CC2)c(OC)c1 ZINC000277205941 550643349 /nfs/dbraw/zinc/64/33/49/550643349.db2.gz MYPZTGPYIORLBO-XMJUDYLUSA-N 1 2 367.511 2.006 20 30 FEEDLO C=CCc1ccc(OC[C@H](O)C[N@H+]2CC[C@H](C)[S@@](=O)CC2)c(OC)c1 ZINC000277205941 550643350 /nfs/dbraw/zinc/64/33/50/550643350.db2.gz MYPZTGPYIORLBO-XMJUDYLUSA-N 1 2 367.511 2.006 20 30 FEEDLO N#Cc1ccc([C@@H](O)C[NH+]2CCN(c3nc(F)c(F)cc3F)CC2)cc1 ZINC000277392595 550664991 /nfs/dbraw/zinc/66/49/91/550664991.db2.gz YZUZIDRWVLECTO-INIZCTEOSA-N 1 2 362.355 2.226 20 30 FEEDLO COc1cc(C#N)ccc1OCc1nc([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)no1 ZINC000278083130 550747090 /nfs/dbraw/zinc/74/70/90/550747090.db2.gz OCBSXEUEIOFRJD-RHSMWYFYSA-N 1 2 370.409 2.455 20 30 FEEDLO COc1cc(C#N)ccc1OCc1nc([C@H]2C[N@H+]3CCCC[C@@H]3CO2)no1 ZINC000278083130 550747092 /nfs/dbraw/zinc/74/70/92/550747092.db2.gz OCBSXEUEIOFRJD-RHSMWYFYSA-N 1 2 370.409 2.455 20 30 FEEDLO COCCSCCCO[NH+]=C(N)c1ccc(-n2nc(C)cc2C)nc1 ZINC000278214771 550761772 /nfs/dbraw/zinc/76/17/72/550761772.db2.gz HJNKPQXWFKIAQK-UHFFFAOYSA-N 1 2 363.487 2.291 20 30 FEEDLO C[C@H](C#N)CN(C)C(=O)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000278519957 550794589 /nfs/dbraw/zinc/79/45/89/550794589.db2.gz FXTGSHQZYNOKHZ-CQSZACIVSA-N 1 2 365.437 2.443 20 30 FEEDLO C[C@H](C(=O)N(C)CCC#N)[NH+]1CCN(c2cncc3ccccc32)CC1 ZINC000279349022 550880431 /nfs/dbraw/zinc/88/04/31/550880431.db2.gz VJTFASGGCHGNLR-MRXNPFEDSA-N 1 2 351.454 2.117 20 30 FEEDLO C[C@H]1Cc2ccccc2N1C(=O)C[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000280467651 550997302 /nfs/dbraw/zinc/99/73/02/550997302.db2.gz MPOXFAXSVDXPSH-INIZCTEOSA-N 1 2 361.449 2.053 20 30 FEEDLO COc1ccc(N2CC[NH+](CCNC(=O)c3cc(C#N)oc3C)CC2)cc1 ZINC000280861624 551040092 /nfs/dbraw/zinc/04/00/92/551040092.db2.gz ZGCISFHPKKKEIE-UHFFFAOYSA-N 1 2 368.437 2.020 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cn1 ZINC000282337197 551213626 /nfs/dbraw/zinc/21/36/26/551213626.db2.gz OLCHOTCLHPWXAX-CQSZACIVSA-N 1 2 371.466 2.054 20 30 FEEDLO CN(Cc1[nH+]ccn1C)S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000282862082 551279053 /nfs/dbraw/zinc/27/90/53/551279053.db2.gz OLOIEEONPXPPIC-UHFFFAOYSA-N 1 2 358.345 2.131 20 30 FEEDLO C[C@@H](CC#N)N(C)S(=O)(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000282893206 551282605 /nfs/dbraw/zinc/28/26/05/551282605.db2.gz DVDPSMXALALFSF-HNNXBMFYSA-N 1 2 365.503 2.030 20 30 FEEDLO Cc1ccc([C@H](CNc2cc(N)c([N+](=O)[O-])c(C#N)c2)[NH+]2CCOCC2)o1 ZINC000283493822 551376344 /nfs/dbraw/zinc/37/63/44/551376344.db2.gz IBERGJOYVPYZOE-INIZCTEOSA-N 1 2 371.397 2.436 20 30 FEEDLO C=CCN(C)C(=O)C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000283842761 551436679 /nfs/dbraw/zinc/43/66/79/551436679.db2.gz AVKAMBMVZLWXDW-OAHLLOKOSA-N 1 2 367.852 2.377 20 30 FEEDLO Cc1noc([C@@H]([NH2+]CC(=O)Nc2oc(C)c(C)c2C#N)C2CCOCC2)n1 ZINC000498360042 561523306 /nfs/dbraw/zinc/52/33/06/561523306.db2.gz WRACDFIFILVLIJ-INIZCTEOSA-N 1 2 373.413 2.156 20 30 FEEDLO Cn1c[nH+]cc1[C@H]1[C@H](C(=O)N2CCC(C)(C#N)CC2)CCC(=O)N1C1CC1 ZINC000498929040 561538271 /nfs/dbraw/zinc/53/82/71/561538271.db2.gz MQHXTXFULUMGFT-CRAIPNDOSA-N 1 2 369.469 2.014 20 30 FEEDLO N#Cc1ccc(OC2CC[NH+](CC(=O)NCc3ccco3)CC2)c(F)c1 ZINC000285625777 551785028 /nfs/dbraw/zinc/78/50/28/551785028.db2.gz YLABLABRORSHRD-UHFFFAOYSA-N 1 2 357.385 2.450 20 30 FEEDLO C[C@H]1CC[N@H+](C[C@@H](O)c2ccc(C#N)cc2)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000287441837 552004760 /nfs/dbraw/zinc/00/47/60/552004760.db2.gz QEGSRGDZLANDAB-RKLWJJNISA-N 1 2 369.387 2.369 20 30 FEEDLO C[C@H]1CC[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000287441837 552004761 /nfs/dbraw/zinc/00/47/61/552004761.db2.gz QEGSRGDZLANDAB-RKLWJJNISA-N 1 2 369.387 2.369 20 30 FEEDLO COc1cc(C[NH+]2CCN(c3ccnc(C#N)c3)CC2)cc(OC)c1OC ZINC000287851624 552055126 /nfs/dbraw/zinc/05/51/26/552055126.db2.gz MIXFNSKLPCIIPU-UHFFFAOYSA-N 1 2 368.437 2.301 20 30 FEEDLO C=CCN1CC[C@@H]([NH+]2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)C1=O ZINC000499770751 561558153 /nfs/dbraw/zinc/55/81/53/561558153.db2.gz GSUCBBCTBQXUNN-QZTJIDSGSA-N 1 2 358.873 2.309 20 30 FEEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)N[C@@H](c2ccc(C)cc2)C2CC2)C1=O ZINC000499996688 561563810 /nfs/dbraw/zinc/56/38/10/561563810.db2.gz BZGPJVCDEUUCEY-QUCCMNQESA-N 1 2 355.482 2.281 20 30 FEEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)N[C@@H](c2ccc(C)cc2)C2CC2)C1=O ZINC000499996688 561563811 /nfs/dbraw/zinc/56/38/11/561563811.db2.gz BZGPJVCDEUUCEY-QUCCMNQESA-N 1 2 355.482 2.281 20 30 FEEDLO CC(C)c1scnc1NC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000289022200 552253927 /nfs/dbraw/zinc/25/39/27/552253927.db2.gz BWKUBUOXAUWTML-UHFFFAOYSA-N 1 2 351.476 2.346 20 30 FEEDLO Cc1cc(C)c(C)c(OCCC(=O)N(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000500349816 561570569 /nfs/dbraw/zinc/57/05/69/561570569.db2.gz RHPRSANUTFGTBI-UHFFFAOYSA-N 1 2 373.497 2.455 20 30 FEEDLO O=c1nc([C@H]2CCC[N@H+](CC#Cc3ccc(OC(F)(F)F)cc3)C2)[nH][nH]1 ZINC000289458440 552324694 /nfs/dbraw/zinc/32/46/94/552324694.db2.gz PVGCTHCWNAKWBX-ZDUSSCGKSA-N 1 2 366.343 2.228 20 30 FEEDLO Cc1nsc(N2CC[NH+](C[C@H](O)c3ccc(F)cc3F)CC2)c1C#N ZINC000289471024 552326872 /nfs/dbraw/zinc/32/68/72/552326872.db2.gz NBYRICYIXVPQMO-INIZCTEOSA-N 1 2 364.421 2.457 20 30 FEEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CCC[C@H](c2nc(=O)[nH][nH]2)C1 ZINC000289593320 552346558 /nfs/dbraw/zinc/34/65/58/552346558.db2.gz ZURDYPORENBEOJ-NSHDSACASA-N 1 2 362.231 2.112 20 30 FEEDLO N#Cc1cc(Br)ccc1C[N@H+]1CCC[C@H](c2nc(=O)[nH][nH]2)C1 ZINC000289593320 552346560 /nfs/dbraw/zinc/34/65/60/552346560.db2.gz ZURDYPORENBEOJ-NSHDSACASA-N 1 2 362.231 2.112 20 30 FEEDLO C=CCN(CC=C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000289764390 552374767 /nfs/dbraw/zinc/37/47/67/552374767.db2.gz VSPJSFMERKWWRF-IAGOWNOFSA-N 1 2 363.408 2.027 20 30 FEEDLO C=CCN(CC=C)C(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000289764390 552374768 /nfs/dbraw/zinc/37/47/68/552374768.db2.gz VSPJSFMERKWWRF-IAGOWNOFSA-N 1 2 363.408 2.027 20 30 FEEDLO CCc1nc([C@H](C)[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)cs1 ZINC000289775923 552376911 /nfs/dbraw/zinc/37/69/11/552376911.db2.gz IUVGLZKQNOWSCO-NSHDSACASA-N 1 2 350.469 2.097 20 30 FEEDLO CC(C)(CCC#N)CNc1ccc(C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000289906629 552397420 /nfs/dbraw/zinc/39/74/20/552397420.db2.gz XSPAIAHBCKGGNR-UHFFFAOYSA-N 1 2 358.486 2.490 20 30 FEEDLO N#Cc1ccc(NC(=O)NCc2cc[nH+]c(N3CCOCC3)c2)cc1F ZINC000289941244 552403110 /nfs/dbraw/zinc/40/31/10/552403110.db2.gz VZTLMSBQGXBRMI-UHFFFAOYSA-N 1 2 355.373 2.251 20 30 FEEDLO Cc1nsc(N2CC[NH+](CCCNC(=O)OC(C)(C)C)CC2)c1C#N ZINC000291547193 552636235 /nfs/dbraw/zinc/63/62/35/552636235.db2.gz LVTHPAZTHZXOQY-UHFFFAOYSA-N 1 2 365.503 2.360 20 30 FEEDLO CC(C)[N@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1)[C@H]1CCOC1 ZINC000292008013 552683855 /nfs/dbraw/zinc/68/38/55/552683855.db2.gz XQNAAYBDOGDSNB-DZGCQCFKSA-N 1 2 354.410 2.011 20 30 FEEDLO CC(C)[N@@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1)[C@H]1CCOC1 ZINC000292008013 552683856 /nfs/dbraw/zinc/68/38/56/552683856.db2.gz XQNAAYBDOGDSNB-DZGCQCFKSA-N 1 2 354.410 2.011 20 30 FEEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+]([C@@H]3CCN(c4ccccc4F)C3=O)C2)nc1 ZINC000292121770 552695990 /nfs/dbraw/zinc/69/59/90/552695990.db2.gz IBAYOMMWPXLMEK-CRAIPNDOSA-N 1 2 366.396 2.351 20 30 FEEDLO N#Cc1ccc(O[C@@H]2CC[N@H+]([C@@H]3CCN(c4ccccc4F)C3=O)C2)nc1 ZINC000292121770 552695992 /nfs/dbraw/zinc/69/59/92/552695992.db2.gz IBAYOMMWPXLMEK-CRAIPNDOSA-N 1 2 366.396 2.351 20 30 FEEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292140889 552697824 /nfs/dbraw/zinc/69/78/24/552697824.db2.gz JLQKORGNCXBVKR-YOEHRIQHSA-N 1 2 361.405 2.305 20 30 FEEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292140889 552697826 /nfs/dbraw/zinc/69/78/26/552697826.db2.gz JLQKORGNCXBVKR-YOEHRIQHSA-N 1 2 361.405 2.305 20 30 FEEDLO C=CCC(C)(C)C(=O)Nc1ccc(C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000292975232 552776684 /nfs/dbraw/zinc/77/66/84/552776684.db2.gz HCYYDXSYYOBFOS-UHFFFAOYSA-N 1 2 359.470 2.289 20 30 FEEDLO C#CCCOc1ccc(C(=O)NCc2ccc[nH+]c2N2CCOCC2)cc1 ZINC000294565814 552916316 /nfs/dbraw/zinc/91/63/16/552916316.db2.gz ZORBNWVJMPTNON-UHFFFAOYSA-N 1 2 365.433 2.250 20 30 FEEDLO C#Cc1ccc(CNC(=O)NCc2ccc(N3CCO[C@@H](C)C3)[nH+]c2)cc1 ZINC000296464078 553164091 /nfs/dbraw/zinc/16/40/91/553164091.db2.gz WIPISDZIZCOYBL-INIZCTEOSA-N 1 2 364.449 2.287 20 30 FEEDLO C=CCN(CCc1ccco1)C(=O)C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000297889680 553353316 /nfs/dbraw/zinc/35/33/16/553353316.db2.gz VKGPVHVNSYYNAY-AEFFLSMTSA-N 1 2 370.453 2.143 20 30 FEEDLO CCO[C@@H]1C[C@]([NH2+]CCC(=O)Nc2ccccc2C#N)(C(=O)OC)C1(C)C ZINC000298659312 553455631 /nfs/dbraw/zinc/45/56/31/553455631.db2.gz XVVSRTQXYCCEHD-UZLBHIALSA-N 1 2 373.453 2.223 20 30 FEEDLO Cc1ccc([C@@H](C/N=C/c2c(CO)cnc(C)c2O)[NH+]2CCOCC2)cc1 ZINC000298771968 553470982 /nfs/dbraw/zinc/47/09/82/553470982.db2.gz ISTHTOVWIKWREK-XLKWYTADSA-N 1 2 369.465 2.389 20 30 FEEDLO Cc1ccc([C@H](C/N=C/c2c(CO)cnc(C)c2O)[NH+]2CCOCC2)cc1 ZINC000298771966 553471001 /nfs/dbraw/zinc/47/10/01/553471001.db2.gz ISTHTOVWIKWREK-CNSRZQHFSA-N 1 2 369.465 2.389 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(Cc3cc4c(cc3O)OCO4)CC2)cc1 ZINC000298811963 553476045 /nfs/dbraw/zinc/47/60/45/553476045.db2.gz OYRWZXRCMNDMCZ-UHFFFAOYSA-N 1 2 351.406 2.310 20 30 FEEDLO C[C@@H](NC(=O)[C@H](C)[NH+]1CCN(c2ccc(C#N)cn2)CC1)c1ccccc1 ZINC000299039336 553507243 /nfs/dbraw/zinc/50/72/43/553507243.db2.gz JLPPSHHDNLYEIO-SJORKVTESA-N 1 2 363.465 2.341 20 30 FEEDLO C[C@@H]1C[C@@H](C)CN(C(=O)CO[NH+]=C(N)c2ccc(N3CCCCC3)nc2)C1 ZINC000299318669 553547171 /nfs/dbraw/zinc/54/71/71/553547171.db2.gz KGEKWSJUFLZDTF-HZPDHXFCSA-N 1 2 373.501 2.213 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)CCCOCCc1ccccc1 ZINC000299490400 553570547 /nfs/dbraw/zinc/57/05/47/553570547.db2.gz CINHWITWYHBOEE-UHFFFAOYSA-N 1 2 373.497 2.100 20 30 FEEDLO Cn1c(Cl)c(Cl)cc1C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000299548633 553579596 /nfs/dbraw/zinc/57/95/96/553579596.db2.gz SBFBKEISJUNZHW-UHFFFAOYSA-N 1 2 359.257 2.020 20 30 FEEDLO N#Cc1ccc(N2CC[NH+](CC(=O)N3CCCC3)CC2)cc1C(F)(F)F ZINC000301189013 553629558 /nfs/dbraw/zinc/62/95/58/553629558.db2.gz UXFBLGFZUCCMMY-UHFFFAOYSA-N 1 2 366.387 2.321 20 30 FEEDLO N#Cc1ccc2nc(N3CC[NH+]([C@@H](C(N)=O)c4ccccc4)CC3)ccc2c1 ZINC000301833889 553683983 /nfs/dbraw/zinc/68/39/83/553683983.db2.gz VGVTXKXNPJKYHD-OAQYLSRUSA-N 1 2 371.444 2.455 20 30 FEEDLO N#Cc1cc(F)cc(C2(C(=O)N3CC[NH+](Cc4cccnc4)CC3)CC2)c1 ZINC000505109080 561666388 /nfs/dbraw/zinc/66/63/88/561666388.db2.gz NSONANQAGJYUIB-UHFFFAOYSA-N 1 2 364.424 2.468 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Cc3c(F)cccc3C#N)CC2)cc1 ZINC000505164844 561667118 /nfs/dbraw/zinc/66/71/18/561667118.db2.gz SEGCJEXVNQBZRA-UHFFFAOYSA-N 1 2 362.408 2.456 20 30 FEEDLO Cc1ccc(N2CC[NH+]([C@@H]3CCN(c4ccccc4)C3=O)CC2)nc1C#N ZINC000302592516 553722449 /nfs/dbraw/zinc/72/24/49/553722449.db2.gz AKWKATFOZYIDOU-LJQANCHMSA-N 1 2 361.449 2.189 20 30 FEEDLO Cc1noc(CNC(=O)N(C)C[C@@H]2C[C@H](F)C[N@@H+]2Cc2cccs2)n1 ZINC000328626854 553798379 /nfs/dbraw/zinc/79/83/79/553798379.db2.gz FNKFSWWXIFIUJW-STQMWFEESA-N 1 2 367.450 2.398 20 30 FEEDLO Cc1noc(CNC(=O)N(C)C[C@@H]2C[C@H](F)C[N@H+]2Cc2cccs2)n1 ZINC000328626854 553798380 /nfs/dbraw/zinc/79/83/80/553798380.db2.gz FNKFSWWXIFIUJW-STQMWFEESA-N 1 2 367.450 2.398 20 30 FEEDLO C[C@H](C1CCCCC1)N(C)C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000328668908 553804982 /nfs/dbraw/zinc/80/49/82/553804982.db2.gz DWNMSEFQGSOOFN-QGZVFWFLSA-N 1 2 374.533 2.413 20 30 FEEDLO Cc1nc2c(cccc2C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)[nH]1 ZINC000328685846 553807310 /nfs/dbraw/zinc/80/73/10/553807310.db2.gz FWASTRGCLZJMPQ-GOSISDBHSA-N 1 2 360.483 2.384 20 30 FEEDLO CCN(CC)C(=O)[C@@H]1CCCN1C(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000328722908 553812574 /nfs/dbraw/zinc/81/25/74/553812574.db2.gz SBWFSEUTQHHEBT-HOTGVXAUSA-N 1 2 361.490 2.316 20 30 FEEDLO CC(C)(C(=O)NCc1cccc(CN2CCCC2=O)c1)[NH+]1CCOCC1 ZINC000328733667 553813882 /nfs/dbraw/zinc/81/38/82/553813882.db2.gz JRSZQZFYXHGSCP-UHFFFAOYSA-N 1 2 359.470 2.376 20 30 FEEDLO C[C@@H](C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1)N1CCOCC1 ZINC000328783060 553821939 /nfs/dbraw/zinc/82/19/39/553821939.db2.gz GICYOPOQVRNCSZ-INIZCTEOSA-N 1 2 374.485 2.416 20 30 FEEDLO CC(=O)N1CC[C@H](CN(C)C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)C1 ZINC000328843014 553831286 /nfs/dbraw/zinc/83/12/86/553831286.db2.gz PJJZFKHOPBYKDE-GOSISDBHSA-N 1 2 373.501 2.286 20 30 FEEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)NC[C@@H]3CCCO[C@@H]3C(C)(C)C)C[C@H]21 ZINC000328881288 553838053 /nfs/dbraw/zinc/83/80/53/553838053.db2.gz MEVUFZIKQFALHF-HZMVEIRTSA-N 1 2 353.507 2.147 20 30 FEEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)NC[C@@H]3CCCO[C@@H]3C(C)(C)C)C[C@H]21 ZINC000328881288 553838058 /nfs/dbraw/zinc/83/80/58/553838058.db2.gz MEVUFZIKQFALHF-HZMVEIRTSA-N 1 2 353.507 2.147 20 30 FEEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)C3CCC(NC(=O)C(C)(C)C)CC3)C[C@H]21 ZINC000328900580 553841138 /nfs/dbraw/zinc/84/11/38/553841138.db2.gz YCURNTQYIJRCFK-BHUNQDJPSA-N 1 2 365.518 2.479 20 30 FEEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)C3CCC(NC(=O)C(C)(C)C)CC3)C[C@H]21 ZINC000328900580 553841143 /nfs/dbraw/zinc/84/11/43/553841143.db2.gz YCURNTQYIJRCFK-BHUNQDJPSA-N 1 2 365.518 2.479 20 30 FEEDLO Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)CN2CCCCC2=O)cc1 ZINC000328930226 553847433 /nfs/dbraw/zinc/84/74/33/553847433.db2.gz AQBSGSUNKNPMDM-SFHVURJKSA-N 1 2 359.470 2.337 20 30 FEEDLO CCn1cc[nH+]c1[C@H](NC(=O)N1C[C@@H](C)O[C@@H](C)C1)C1CCOCC1 ZINC000329001872 553861894 /nfs/dbraw/zinc/86/18/94/553861894.db2.gz WCGFPDXXSVFQPZ-IJEWVQPXSA-N 1 2 350.463 2.394 20 30 FEEDLO CCc1c(NC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)cnn1-c1ccccc1 ZINC000329041045 553869810 /nfs/dbraw/zinc/86/98/10/553869810.db2.gz OIQDUWPOSLIAQX-OALUTQOASA-N 1 2 369.469 2.385 20 30 FEEDLO CCc1c(NC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)cnn1-c1ccccc1 ZINC000329041045 553869812 /nfs/dbraw/zinc/86/98/12/553869812.db2.gz OIQDUWPOSLIAQX-OALUTQOASA-N 1 2 369.469 2.385 20 30 FEEDLO Cn1c[nH+]cc1[C@H]1[C@H](NC(=O)[C@H]2CCCOCC2)CCC(=O)N1C1CC1 ZINC000329046861 553871382 /nfs/dbraw/zinc/87/13/82/553871382.db2.gz VGVDXLLPTILWKR-JCKWVBRZSA-N 1 2 360.458 2.388 20 30 FEEDLO CN1C(=O)C[C@H](NC(=O)N2CCn3cc[nH+]c3C2)[C@H]1c1ccc(Cl)cc1 ZINC000329055926 553872664 /nfs/dbraw/zinc/87/26/64/553872664.db2.gz IDKUHFQOPGCNDY-WMLDXEAASA-N 1 2 373.844 2.238 20 30 FEEDLO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C1(N2CCOCC2)CCC1 ZINC000329101746 553880454 /nfs/dbraw/zinc/88/04/54/553880454.db2.gz FFKQPKPQFBLALS-LJQANCHMSA-N 1 2 373.497 2.099 20 30 FEEDLO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C1(N2CCOCC2)CCC1 ZINC000329101746 553880457 /nfs/dbraw/zinc/88/04/57/553880457.db2.gz FFKQPKPQFBLALS-LJQANCHMSA-N 1 2 373.497 2.099 20 30 FEEDLO C=CCNC(=O)CN1CC[NH+](Cc2ccccc2OC2CCCC2)CC1 ZINC000506279618 561694722 /nfs/dbraw/zinc/69/47/22/561694722.db2.gz KDIFRQALDLQBMU-UHFFFAOYSA-N 1 2 357.498 2.428 20 30 FEEDLO C[C@H]1CN(C(=O)N[C@@H]2CCC(=O)N(C3CC3)[C@H]2c2c[nH+]cn2C)C[C@H]1C ZINC000329198163 553900352 /nfs/dbraw/zinc/90/03/52/553900352.db2.gz AJOFUOLYKYJTNW-ZFHGCVPZSA-N 1 2 359.474 2.116 20 30 FEEDLO CC(C)C[C@@H]1C[C@H](NC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)CCO1 ZINC000329252598 553911231 /nfs/dbraw/zinc/91/12/31/553911231.db2.gz YQMIWGLEGOSJPO-BSDSXHPESA-N 1 2 353.507 2.289 20 30 FEEDLO O=C(NCc1cn2cc(Cl)ccc2[nH+]1)N1CCOC[C@@H]1[C@H]1CCCO1 ZINC000329289043 553918343 /nfs/dbraw/zinc/91/83/43/553918343.db2.gz QGPKPUNSXSYGHO-HUUCEWRRSA-N 1 2 364.833 2.282 20 30 FEEDLO CC[C@@H]1CN(C(=O)N[C@@H](c2[nH+]ccn2C)C2CCOCC2)CCCO1 ZINC000329319635 553924376 /nfs/dbraw/zinc/92/43/76/553924376.db2.gz IQKMBCGKKTXYTM-HZPDHXFCSA-N 1 2 350.463 2.303 20 30 FEEDLO O=C(N[C@@H]1CN(c2ccc(F)cc2)C1=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000329374784 553934054 /nfs/dbraw/zinc/93/40/54/553934054.db2.gz KNDDNEKNKHWHFM-IAGOWNOFSA-N 1 2 361.417 2.141 20 30 FEEDLO O=C(N[C@@H]1CN(c2ccc(F)cc2)C1=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000329374784 553934056 /nfs/dbraw/zinc/93/40/56/553934056.db2.gz KNDDNEKNKHWHFM-IAGOWNOFSA-N 1 2 361.417 2.141 20 30 FEEDLO Cc1nnc([C@H]2CCC[N@H+](CC(=O)Nc3ccc4c(c3)OCCO4)C2)[nH]1 ZINC000329411115 553941246 /nfs/dbraw/zinc/94/12/46/553941246.db2.gz BRHPROPZKAYZEJ-ZDUSSCGKSA-N 1 2 357.414 2.352 20 30 FEEDLO Cc1nnc([C@H]2CCC[N@@H+](CC(=O)Nc3ccc4c(c3)OCCO4)C2)[nH]1 ZINC000329411115 553941249 /nfs/dbraw/zinc/94/12/49/553941249.db2.gz BRHPROPZKAYZEJ-ZDUSSCGKSA-N 1 2 357.414 2.352 20 30 FEEDLO Cc1n[nH]c([C@H]2CCC[N@H+](CC(=O)Nc3ccc4c(c3)OCCO4)C2)n1 ZINC000329411115 553941250 /nfs/dbraw/zinc/94/12/50/553941250.db2.gz BRHPROPZKAYZEJ-ZDUSSCGKSA-N 1 2 357.414 2.352 20 30 FEEDLO Cc1n[nH]c([C@H]2CCC[N@@H+](CC(=O)Nc3ccc4c(c3)OCCO4)C2)n1 ZINC000329411115 553941252 /nfs/dbraw/zinc/94/12/52/553941252.db2.gz BRHPROPZKAYZEJ-ZDUSSCGKSA-N 1 2 357.414 2.352 20 30 FEEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+]1CCOCC2(CC2)C1 ZINC000329444695 553948775 /nfs/dbraw/zinc/94/87/75/553948775.db2.gz KQYKNWLTJIAHJF-UHFFFAOYSA-N 1 2 351.410 2.444 20 30 FEEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+]1CCOCC2(CC2)C1 ZINC000329444695 553948779 /nfs/dbraw/zinc/94/87/79/553948779.db2.gz KQYKNWLTJIAHJF-UHFFFAOYSA-N 1 2 351.410 2.444 20 30 FEEDLO CCO[C@@H]1C[C@H]([NH+]=C([O-])N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)[C@@]12CCCO2 ZINC000329444611 553948786 /nfs/dbraw/zinc/94/87/86/553948786.db2.gz BDCTUVKGMXYZHM-KMOPNRPKSA-N 1 2 362.474 2.407 20 30 FEEDLO CCO[C@@H]1C[C@H](NC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)[C@@]12CCCO2 ZINC000329444611 553948788 /nfs/dbraw/zinc/94/87/88/553948788.db2.gz BDCTUVKGMXYZHM-KMOPNRPKSA-N 1 2 362.474 2.407 20 30 FEEDLO Cn1cc[nH+]c1[C@H](NC(=O)N1CCOC2(CCCC2)C1)C1CCOCC1 ZINC000329449324 553949013 /nfs/dbraw/zinc/94/90/13/553949013.db2.gz LHMVTNSXMGVPBF-MRXNPFEDSA-N 1 2 362.474 2.447 20 30 FEEDLO O=C(N[C@@H]1CCCN(C(=O)N2CCCC2)C1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000329480660 553954570 /nfs/dbraw/zinc/95/45/70/553954570.db2.gz DBBHVLDQHPKWJW-MRXNPFEDSA-N 1 2 374.489 2.183 20 30 FEEDLO O=C(N[C@@H]1CCCN(C(=O)N2CCCC2)C1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000329480660 553954575 /nfs/dbraw/zinc/95/45/75/553954575.db2.gz DBBHVLDQHPKWJW-MRXNPFEDSA-N 1 2 374.489 2.183 20 30 FEEDLO CC(C)[C@@H]1CN(C(=O)N[C@H](c2[nH+]ccn2C)C2CCOCC2)CCO1 ZINC000329510765 553959896 /nfs/dbraw/zinc/95/98/96/553959896.db2.gz XLKIXLPUGZPNEQ-HOTGVXAUSA-N 1 2 350.463 2.159 20 30 FEEDLO COCc1cccc2sc(=NC(=O)NC[C@@H]3C[N@H+](C)CCO3)[nH]c21 ZINC000329568323 553968742 /nfs/dbraw/zinc/96/87/42/553968742.db2.gz HZUXEIVIDBVHIB-GFCCVEGCSA-N 1 2 350.444 2.099 20 30 FEEDLO COCc1cccc2sc(=NC(=O)NC[C@@H]3C[N@@H+](C)CCO3)[nH]c21 ZINC000329568323 553968743 /nfs/dbraw/zinc/96/87/43/553968743.db2.gz HZUXEIVIDBVHIB-GFCCVEGCSA-N 1 2 350.444 2.099 20 30 FEEDLO Cc1ccc2[nH+]c(CNC(=O)N[C@@H]3CCOC4(CCOCC4)C3)cn2c1 ZINC000329656459 553983123 /nfs/dbraw/zinc/98/31/23/553983123.db2.gz MNUXTEWCFIVLHS-OAHLLOKOSA-N 1 2 358.442 2.375 20 30 FEEDLO C[C@H](NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)c1ccc2c(c1)OCO2 ZINC000329769606 554002977 /nfs/dbraw/zinc/00/29/77/554002977.db2.gz IAQZCZGMOIAEKT-GOEBONIOSA-N 1 2 361.442 2.187 20 30 FEEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)c1cn(CC3(C)COC3)nn1)C2 ZINC000329780847 554004786 /nfs/dbraw/zinc/00/47/86/554004786.db2.gz MXCZTHOBKNFQAB-ZDUSSCGKSA-N 1 2 372.473 2.128 20 30 FEEDLO Cc1cc(NC(=O)N2CCN3CCOC[C@@H]3C2)c[nH+]c1N1CCCC[C@@H]1C ZINC000329809835 554009650 /nfs/dbraw/zinc/00/96/50/554009650.db2.gz CEUFGJDQHKEHLI-WMZOPIPTSA-N 1 2 373.501 2.331 20 30 FEEDLO O=C(C[N@@H+]1CCO[C@@]2(CCOC2)C1)NCC1(c2ccccc2)CCOCC1 ZINC000329878468 554023615 /nfs/dbraw/zinc/02/36/15/554023615.db2.gz KUXDUKKFVPXMBQ-NRFANRHFSA-N 1 2 374.481 2.183 20 30 FEEDLO O=C(C[N@H+]1CCO[C@@]2(CCOC2)C1)NCC1(c2ccccc2)CCOCC1 ZINC000329878468 554023617 /nfs/dbraw/zinc/02/36/17/554023617.db2.gz KUXDUKKFVPXMBQ-NRFANRHFSA-N 1 2 374.481 2.183 20 30 FEEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)Nc3cc4c(cc3Cl)OCCCO4)C[C@H]21 ZINC000329913663 554030597 /nfs/dbraw/zinc/03/05/97/554030597.db2.gz BZAJKAPXHOLBHB-CJNGLKHVSA-N 1 2 367.833 2.062 20 30 FEEDLO C[N@H+]1CCO[C@H]2CN(C(=O)Nc3cc4c(cc3Cl)OCCCO4)C[C@H]21 ZINC000329913663 554030598 /nfs/dbraw/zinc/03/05/98/554030598.db2.gz BZAJKAPXHOLBHB-CJNGLKHVSA-N 1 2 367.833 2.062 20 30 FEEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)Nc3ccc4oc(C(F)(F)F)nc4c3)C[C@H]21 ZINC000329920223 554031770 /nfs/dbraw/zinc/03/17/70/554031770.db2.gz GWRZHROBIIDZPT-YPMHNXCESA-N 1 2 370.331 2.407 20 30 FEEDLO C[N@H+]1CCO[C@H]2CN(C(=O)Nc3ccc4oc(C(F)(F)F)nc4c3)C[C@H]21 ZINC000329920223 554031774 /nfs/dbraw/zinc/03/17/74/554031774.db2.gz GWRZHROBIIDZPT-YPMHNXCESA-N 1 2 370.331 2.407 20 30 FEEDLO Cc1nn(-c2ccccc2)c(C)c1NC(=O)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000329919608 554031901 /nfs/dbraw/zinc/03/19/01/554031901.db2.gz RUFUJUNSVTYQEI-IRXDYDNUSA-N 1 2 355.442 2.049 20 30 FEEDLO Cc1nn(-c2ccccc2)c(C)c1NC(=O)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000329919608 554031902 /nfs/dbraw/zinc/03/19/02/554031902.db2.gz RUFUJUNSVTYQEI-IRXDYDNUSA-N 1 2 355.442 2.049 20 30 FEEDLO C[C@@H]1C[C@@H](C(=O)NC[C@@H]2C[C@H](F)C[N@@H+]2Cc2cnn(C)c2)CC(=O)N1 ZINC000329934848 554034979 /nfs/dbraw/zinc/03/49/79/554034979.db2.gz KBCVNQPPICGEAD-RZFFKMDDSA-N 1 2 351.426 2.044 20 30 FEEDLO C[C@@H]1C[C@@H](C(=O)NC[C@@H]2C[C@H](F)C[N@H+]2Cc2cnn(C)c2)CC(=O)N1 ZINC000329934848 554034981 /nfs/dbraw/zinc/03/49/81/554034981.db2.gz KBCVNQPPICGEAD-RZFFKMDDSA-N 1 2 351.426 2.044 20 30 FEEDLO C[N@@H+]1CCO[C@@H]2CN(CC(=O)Nc3sc4c(c3C#N)CCCCC4)C[C@H]21 ZINC000329947666 554037198 /nfs/dbraw/zinc/03/71/98/554037198.db2.gz HEKWGMLWBVJVHU-HZPDHXFCSA-N 1 2 374.510 2.491 20 30 FEEDLO C[N@H+]1CCO[C@@H]2CN(CC(=O)Nc3sc4c(c3C#N)CCCCC4)C[C@H]21 ZINC000329947666 554037204 /nfs/dbraw/zinc/03/72/04/554037204.db2.gz HEKWGMLWBVJVHU-HZPDHXFCSA-N 1 2 374.510 2.491 20 30 FEEDLO CC(=O)N1CC[C@@H](C(=O)NC[C@@H]2C[C@H](F)C[N@@H+]2Cc2c(C)noc2C)C1 ZINC000329976050 554042085 /nfs/dbraw/zinc/04/20/85/554042085.db2.gz DYPGAATUOOBZJT-PMPSAXMXSA-N 1 2 366.437 2.029 20 30 FEEDLO CC(=O)N1CC[C@@H](C(=O)NC[C@@H]2C[C@H](F)C[N@H+]2Cc2c(C)noc2C)C1 ZINC000329976050 554042087 /nfs/dbraw/zinc/04/20/87/554042087.db2.gz DYPGAATUOOBZJT-PMPSAXMXSA-N 1 2 366.437 2.029 20 30 FEEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)Nc3cccc(-c4noc(C5CC5)n4)c3)C[C@@H]21 ZINC000329984215 554044014 /nfs/dbraw/zinc/04/40/14/554044014.db2.gz QEPVXIKVIHSBHT-HOTGVXAUSA-N 1 2 369.425 2.174 20 30 FEEDLO C[N@H+]1CCO[C@H]2CN(C(=O)Nc3cccc(-c4noc(C5CC5)n4)c3)C[C@@H]21 ZINC000329984215 554044016 /nfs/dbraw/zinc/04/40/16/554044016.db2.gz QEPVXIKVIHSBHT-HOTGVXAUSA-N 1 2 369.425 2.174 20 30 FEEDLO Cn1cc[nH+]c1[C@@H]1CN(C(=O)N[C@@H]2CCc3c2cccc3F)CCN1C ZINC000329985872 554044462 /nfs/dbraw/zinc/04/44/62/554044462.db2.gz DSNMLHMVAOKTSU-SJORKVTESA-N 1 2 357.433 2.449 20 30 FEEDLO CCN1CCN(C(=O)N[C@H](C)c2ccncc2OC)C[C@@H]1c1[nH]cc[nH+]1 ZINC000330002115 554047610 /nfs/dbraw/zinc/04/76/10/554047610.db2.gz YOWOXECIJCKFTN-UKRRQHHQSA-N 1 2 358.446 2.167 20 30 FEEDLO COC1(CC(=O)N2CC[NH+]([C@@H](C)C(=O)NC3CCCC3)CC2)CCC1 ZINC000330055132 554056162 /nfs/dbraw/zinc/05/61/62/554056162.db2.gz TWOUWDYCVVJJJL-HNNXBMFYSA-N 1 2 351.491 2.377 20 30 FEEDLO C[C@@H]1C[N@H+](CC(=O)NCCOc2ccc(F)cc2)C[C@@]2(CCCOC2)O1 ZINC000330128698 554070032 /nfs/dbraw/zinc/07/00/32/554070032.db2.gz NVSUEPXFEVYEOH-DNVCBOLYSA-N 1 2 366.433 2.431 20 30 FEEDLO C[C@@H]1C[N@@H+](CC(=O)NCCOc2ccc(F)cc2)C[C@@]2(CCCOC2)O1 ZINC000330128698 554070035 /nfs/dbraw/zinc/07/00/35/554070035.db2.gz NVSUEPXFEVYEOH-DNVCBOLYSA-N 1 2 366.433 2.431 20 30 FEEDLO C[C@@H]1C[N@@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@@]2(CCCOC2)O1 ZINC000330133196 554070929 /nfs/dbraw/zinc/07/09/29/554070929.db2.gz QZQIPOWCMTYNAY-OZOXKJRCSA-N 1 2 369.465 2.324 20 30 FEEDLO C[C@@H]1C[N@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@@]2(CCCOC2)O1 ZINC000330133196 554070932 /nfs/dbraw/zinc/07/09/32/554070932.db2.gz QZQIPOWCMTYNAY-OZOXKJRCSA-N 1 2 369.465 2.324 20 30 FEEDLO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[NH+]1CCC(Oc2cnccn2)CC1 ZINC000330198666 554083755 /nfs/dbraw/zinc/08/37/55/554083755.db2.gz UJLOHYRGUKYPGE-CQSZACIVSA-N 1 2 358.446 2.347 20 30 FEEDLO C[C@@H]1CN(c2ccc([NH+]=C([O-])N[C@@H]3CCn4cc[nH+]c4C3)cn2)C[C@H](C)O1 ZINC000330247888 554092778 /nfs/dbraw/zinc/09/27/78/554092778.db2.gz LXNGGFZHQSIPPE-QLFBSQMISA-N 1 2 370.457 2.233 20 30 FEEDLO C[C@@H]1CN(c2ccc(NC(=O)N[C@@H]3CCn4cc[nH+]c4C3)cn2)C[C@H](C)O1 ZINC000330247888 554092779 /nfs/dbraw/zinc/09/27/79/554092779.db2.gz LXNGGFZHQSIPPE-QLFBSQMISA-N 1 2 370.457 2.233 20 30 FEEDLO N#CCNC(=O)C[N@@H+]1CCC[C@H]1c1ccccc1I ZINC000330787066 554171203 /nfs/dbraw/zinc/17/12/03/554171203.db2.gz WRSQBTKYTTVFKH-ZDUSSCGKSA-N 1 2 369.206 2.068 20 30 FEEDLO COC[C@H](C)NC(=O)NC(=O)C[N@@H+]1CCCC[C@@H]1c1nc(C)cs1 ZINC000330762248 554168172 /nfs/dbraw/zinc/16/81/72/554168172.db2.gz OKNXSHIIEONQSV-WCQYABFASA-N 1 2 354.476 2.044 20 30 FEEDLO COC[C@H](C)NC(=O)NC(=O)C[N@H+]1CCCC[C@@H]1c1nc(C)cs1 ZINC000330762248 554168173 /nfs/dbraw/zinc/16/81/73/554168173.db2.gz OKNXSHIIEONQSV-WCQYABFASA-N 1 2 354.476 2.044 20 30 FEEDLO N#CCNC(=O)C[N@H+]1CCC[C@H]1c1ccccc1I ZINC000330787066 554171201 /nfs/dbraw/zinc/17/12/01/554171201.db2.gz WRSQBTKYTTVFKH-ZDUSSCGKSA-N 1 2 369.206 2.068 20 30 FEEDLO CNC(=O)N[C@H]1CC[N@H+](Cc2ccc(OC)c(OC)c2Br)C1 ZINC000330957198 554193958 /nfs/dbraw/zinc/19/39/58/554193958.db2.gz VGVHMKVDMOBAKD-NSHDSACASA-N 1 2 372.263 2.174 20 30 FEEDLO CNC(=O)N[C@H]1CC[N@@H+](Cc2ccc(OC)c(OC)c2Br)C1 ZINC000330957198 554193961 /nfs/dbraw/zinc/19/39/61/554193961.db2.gz VGVHMKVDMOBAKD-NSHDSACASA-N 1 2 372.263 2.174 20 30 FEEDLO C[NH+](C)C1(C#N)CCN(C(=O)C(=O)N2CCC[C@H]2C2CCCCC2)CC1 ZINC000331852940 554331231 /nfs/dbraw/zinc/33/12/31/554331231.db2.gz CQMBTYVOIDJQEY-KRWDZBQOSA-N 1 2 360.502 2.004 20 30 FEEDLO C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000332026577 554366201 /nfs/dbraw/zinc/36/62/01/554366201.db2.gz GYWVJXVCXWKWNA-DFEOGRTESA-N 1 2 369.513 2.405 20 30 FEEDLO C[C@H]1COCC[N@@H+]1CCNc1c(C#N)cnc2ccc(OC(F)F)cc21 ZINC000511413581 561868558 /nfs/dbraw/zinc/86/85/58/561868558.db2.gz LOXQVNAXBHCCCQ-LBPRGKRZSA-N 1 2 362.380 2.262 20 30 FEEDLO C[C@H]1COCC[N@H+]1CCNc1c(C#N)cnc2ccc(OC(F)F)cc21 ZINC000511413581 561868559 /nfs/dbraw/zinc/86/85/59/561868559.db2.gz LOXQVNAXBHCCCQ-LBPRGKRZSA-N 1 2 362.380 2.262 20 30 FEEDLO CN(CCC#N)C(=O)CC[N@H+](C)[C@@H](c1ccc(F)cc1)c1ncccn1 ZINC000360809469 554890763 /nfs/dbraw/zinc/89/07/63/554890763.db2.gz HFDZHCHIMUYBAM-SFHVURJKSA-N 1 2 355.417 2.399 20 30 FEEDLO CN(CCC#N)C(=O)CC[N@@H+](C)[C@@H](c1ccc(F)cc1)c1ncccn1 ZINC000360809469 554890765 /nfs/dbraw/zinc/89/07/65/554890765.db2.gz HFDZHCHIMUYBAM-SFHVURJKSA-N 1 2 355.417 2.399 20 30 FEEDLO N#Cc1ccc(C2=CC[N@H+](CC(=O)Nc3ccccc3C(N)=O)CC2)cc1 ZINC000362424087 554971396 /nfs/dbraw/zinc/97/13/96/554971396.db2.gz FZLMIIFAXDERIH-UHFFFAOYSA-N 1 2 360.417 2.385 20 30 FEEDLO N#Cc1ccc(C2=CC[N@@H+](CC(=O)Nc3ccccc3C(N)=O)CC2)cc1 ZINC000362424087 554971397 /nfs/dbraw/zinc/97/13/97/554971397.db2.gz FZLMIIFAXDERIH-UHFFFAOYSA-N 1 2 360.417 2.385 20 30 FEEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)NC(=O)NC(C)(C)C ZINC000512215072 561896072 /nfs/dbraw/zinc/89/60/72/561896072.db2.gz UJSGLGZNZJHYIY-CYBMUJFWSA-N 1 2 351.447 2.163 20 30 FEEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)NC(=O)NC(C)(C)C ZINC000512215072 561896074 /nfs/dbraw/zinc/89/60/74/561896074.db2.gz UJSGLGZNZJHYIY-CYBMUJFWSA-N 1 2 351.447 2.163 20 30 FEEDLO N#Cc1cccc(CN2C(=O)CC[C@H]2C(=O)NCc2ccn3cc[nH+]c3c2)c1 ZINC000365050774 555473632 /nfs/dbraw/zinc/47/36/32/555473632.db2.gz DTJQBZLJSDKLGG-SFHVURJKSA-N 1 2 373.416 2.013 20 30 FEEDLO Cc1c(C#N)cccc1C(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000513060963 561923662 /nfs/dbraw/zinc/92/36/62/561923662.db2.gz FCBJTNFDXYCKQX-UHFFFAOYSA-N 1 2 359.433 2.472 20 30 FEEDLO C=CCN1CC(=O)N([C@@H](CC)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1=O ZINC000365333259 555546051 /nfs/dbraw/zinc/54/60/51/555546051.db2.gz WLJIAELUJWVEAB-ROUUACIJSA-N 1 2 357.454 2.116 20 30 FEEDLO C=CCN1CC(=O)N([C@@H](CC)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1=O ZINC000365333259 555546052 /nfs/dbraw/zinc/54/60/52/555546052.db2.gz WLJIAELUJWVEAB-ROUUACIJSA-N 1 2 357.454 2.116 20 30 FEEDLO N#Cc1cccc(-c2c[nH]c(CNc3cc(N4CCOCC4)nc[nH+]3)n2)c1 ZINC000365449818 555579020 /nfs/dbraw/zinc/57/90/20/555579020.db2.gz DYIGQERXVNSQAZ-UHFFFAOYSA-N 1 2 361.409 2.187 20 30 FEEDLO N#Cc1cccc(-c2c[nH]c(CNc3cc(N4CCOCC4)[nH+]cn3)n2)c1 ZINC000365449818 555579021 /nfs/dbraw/zinc/57/90/21/555579021.db2.gz DYIGQERXVNSQAZ-UHFFFAOYSA-N 1 2 361.409 2.187 20 30 FEEDLO COC(=O)[C@H]1C[N@@H+]([C@H]2CCN(c3sccc3C#N)C2=O)CC12CCC2 ZINC000365708632 555646188 /nfs/dbraw/zinc/64/61/88/555646188.db2.gz APWLOGOEYCIDHV-KGLIPLIRSA-N 1 2 359.451 2.000 20 30 FEEDLO COC(=O)[C@H]1C[N@H+]([C@H]2CCN(c3sccc3C#N)C2=O)CC12CCC2 ZINC000365708632 555646189 /nfs/dbraw/zinc/64/61/89/555646189.db2.gz APWLOGOEYCIDHV-KGLIPLIRSA-N 1 2 359.451 2.000 20 30 FEEDLO Cc1c(C#N)cccc1C(=O)N(C)C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000513823586 561951301 /nfs/dbraw/zinc/95/13/01/561951301.db2.gz XBHPRBVXYXLMID-IRXDYDNUSA-N 1 2 369.444 2.285 20 30 FEEDLO C=CCc1cc(C[NH+]2CCN(Cc3cnn(C)c3)CC2)cc(OC)c1O ZINC000513755942 561948840 /nfs/dbraw/zinc/94/88/40/561948840.db2.gz VEVNFZKWVBCSGO-UHFFFAOYSA-N 1 2 356.470 2.181 20 30 FEEDLO C=CCc1cc(CN2CC[NH+](Cc3cnn(C)c3)CC2)cc(OC)c1O ZINC000513755942 561948841 /nfs/dbraw/zinc/94/88/41/561948841.db2.gz VEVNFZKWVBCSGO-UHFFFAOYSA-N 1 2 356.470 2.181 20 30 FEEDLO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000366805134 555938007 /nfs/dbraw/zinc/93/80/07/555938007.db2.gz PZMSKMHWIKPEHQ-SFHVURJKSA-N 1 2 358.467 2.211 20 30 FEEDLO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000366805134 555938009 /nfs/dbraw/zinc/93/80/09/555938009.db2.gz PZMSKMHWIKPEHQ-SFHVURJKSA-N 1 2 358.467 2.211 20 30 FEEDLO Cn1cc(C[N@@H+]2CCO[C@@H](C(=O)C3CC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000514211726 561963850 /nfs/dbraw/zinc/96/38/50/561963850.db2.gz WLDWEDMQWZVIEA-GOSISDBHSA-N 1 2 350.422 2.139 20 30 FEEDLO Cn1cc(C[N@H+]2CCO[C@@H](C(=O)C3CC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000514211726 561963851 /nfs/dbraw/zinc/96/38/51/561963851.db2.gz WLDWEDMQWZVIEA-GOSISDBHSA-N 1 2 350.422 2.139 20 30 FEEDLO COc1cccc(CNC(=O)C[NH+]2CCC(C#N)(c3ccccn3)CC2)c1 ZINC000367068784 556000851 /nfs/dbraw/zinc/00/08/51/556000851.db2.gz ZDPFSWMWUOHAQW-UHFFFAOYSA-N 1 2 364.449 2.264 20 30 FEEDLO C#CC[C@H](Cc1ccccc1)NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000367865662 556158699 /nfs/dbraw/zinc/15/86/99/556158699.db2.gz PQJXSPJWWKYTIY-RLLQIKCJSA-N 1 2 355.482 2.126 20 30 FEEDLO N#Cc1cc(F)ccc1C[NH+]1CCC(S(=O)(=O)N2CCCC2)CC1 ZINC000368522728 556335127 /nfs/dbraw/zinc/33/51/27/556335127.db2.gz QZZDXSGYNAMWDW-UHFFFAOYSA-N 1 2 351.447 2.087 20 30 FEEDLO CCCC[C@H](ON=C(C)C)C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000368625582 556367418 /nfs/dbraw/zinc/36/74/18/556367418.db2.gz ZMQODAWXTUVPBK-WMZOPIPTSA-N 1 2 371.547 2.282 20 30 FEEDLO CC(C)CCN1C(=O)C[C@H]([NH+]2CCC(C#N)(c3ccccn3)CC2)C1=O ZINC000369215222 556537901 /nfs/dbraw/zinc/53/79/01/556537901.db2.gz OAZNZVQARXNEFY-INIZCTEOSA-N 1 2 354.454 2.112 20 30 FEEDLO N#Cc1ncn(C2CC[NH+](CC(=O)Nc3ccc(F)cc3Cl)CC2)n1 ZINC000369311373 556571793 /nfs/dbraw/zinc/57/17/93/556571793.db2.gz GMVBPMYGZOUABD-UHFFFAOYSA-N 1 2 362.796 2.218 20 30 FEEDLO C=CCN(Cc1ccccc1)C(=O)NC[C@]1([NH+]2CCOCC2)CCCOC1 ZINC000371165408 557094994 /nfs/dbraw/zinc/09/49/94/557094994.db2.gz MOSGUPWGCRYTAT-OAQYLSRUSA-N 1 2 373.497 2.266 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)NCc2ccccc2Cn2cc[nH+]c2)c(F)c1 ZINC000517439118 562090304 /nfs/dbraw/zinc/09/03/04/562090304.db2.gz OBSSQFYTTIRINS-UHFFFAOYSA-N 1 2 370.409 2.421 20 30 FEEDLO Cc1cccc2ncc(C[N@@H+]3C[C@@H](C#N)[C@@]4(C3)c3ccccc3NC4=O)n21 ZINC000371456163 557190004 /nfs/dbraw/zinc/19/00/04/557190004.db2.gz FUOVREYPPNTYBP-VFNWGFHPSA-N 1 2 357.417 2.488 20 30 FEEDLO Cc1cccc2ncc(C[N@H+]3C[C@@H](C#N)[C@@]4(C3)c3ccccc3NC4=O)n21 ZINC000371456163 557190007 /nfs/dbraw/zinc/19/00/07/557190007.db2.gz FUOVREYPPNTYBP-VFNWGFHPSA-N 1 2 357.417 2.488 20 30 FEEDLO C=CCN(Cc1nc2c(s1)C[N@H+](C(C)C)CC2)[C@H]1CCS(=O)(=O)C1 ZINC000371577315 557228134 /nfs/dbraw/zinc/22/81/34/557228134.db2.gz FIKPVLMZFULQQW-AWEZNQCLSA-N 1 2 369.556 2.085 20 30 FEEDLO C=CCN(Cc1nc2c(s1)C[N@@H+](C(C)C)CC2)[C@H]1CCS(=O)(=O)C1 ZINC000371577315 557228138 /nfs/dbraw/zinc/22/81/38/557228138.db2.gz FIKPVLMZFULQQW-AWEZNQCLSA-N 1 2 369.556 2.085 20 30 FEEDLO N#Cc1cccc(NC(=O)C[N@H+]2CCCN(c3cncc(F)c3)CC2)c1 ZINC000372025393 557359862 /nfs/dbraw/zinc/35/98/62/557359862.db2.gz IJMABCYFIOUFAD-UHFFFAOYSA-N 1 2 353.401 2.243 20 30 FEEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CCCN(c3cncc(F)c3)CC2)c1 ZINC000372025393 557359864 /nfs/dbraw/zinc/35/98/64/557359864.db2.gz IJMABCYFIOUFAD-UHFFFAOYSA-N 1 2 353.401 2.243 20 30 FEEDLO N#Cc1ccc(CNC(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)s1 ZINC000518749627 562117423 /nfs/dbraw/zinc/11/74/23/562117423.db2.gz NFXXLGIHAHPVQZ-SFHVURJKSA-N 1 2 370.478 2.492 20 30 FEEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372273402 557427276 /nfs/dbraw/zinc/42/72/76/557427276.db2.gz MFBOWXHYXJVYGV-XJKSGUPXSA-N 1 2 368.397 2.327 20 30 FEEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372273402 557427278 /nfs/dbraw/zinc/42/72/78/557427278.db2.gz MFBOWXHYXJVYGV-XJKSGUPXSA-N 1 2 368.397 2.327 20 30 FEEDLO C=C[C@@H](CC(=O)N1CC[NH+]([C@@H]2CCCCNC2=O)CC1)c1ccccc1 ZINC000372289503 557430689 /nfs/dbraw/zinc/43/06/89/557430689.db2.gz ZNUJXABBDGGJHN-PKOBYXMFSA-N 1 2 355.482 2.159 20 30 FEEDLO Cc1nn2c(C[N@@H+]3CCCN(c4ncccc4C#N)CC3)c(C)nc2s1 ZINC000372391130 557458884 /nfs/dbraw/zinc/45/88/84/557458884.db2.gz CVWLMCFSUXNPOE-UHFFFAOYSA-N 1 2 367.482 2.387 20 30 FEEDLO Cc1nn2c(C[N@H+]3CCCN(c4ncccc4C#N)CC3)c(C)nc2s1 ZINC000372391130 557458885 /nfs/dbraw/zinc/45/88/85/557458885.db2.gz CVWLMCFSUXNPOE-UHFFFAOYSA-N 1 2 367.482 2.387 20 30 FEEDLO COc1cc(C#N)ccc1C[N@@H+]1CCCN(C(=O)c2ccncc2)CC1 ZINC000372448762 557473131 /nfs/dbraw/zinc/47/31/31/557473131.db2.gz BTQDFVHZLLVNIY-UHFFFAOYSA-N 1 2 350.422 2.310 20 30 FEEDLO COc1cc(C#N)ccc1C[N@H+]1CCCN(C(=O)c2ccncc2)CC1 ZINC000372448762 557473133 /nfs/dbraw/zinc/47/31/33/557473133.db2.gz BTQDFVHZLLVNIY-UHFFFAOYSA-N 1 2 350.422 2.310 20 30 FEEDLO CCO[C@@H](C)c1noc(CN2CCC[N@H+](Cc3ccc(C#N)o3)CC2)n1 ZINC000372588139 557513633 /nfs/dbraw/zinc/51/36/33/557513633.db2.gz NQJKTUOFWXHCSU-AWEZNQCLSA-N 1 2 359.430 2.340 20 30 FEEDLO CCO[C@@H](C)c1noc(CN2CCC[N@@H+](Cc3ccc(C#N)o3)CC2)n1 ZINC000372588139 557513635 /nfs/dbraw/zinc/51/36/35/557513635.db2.gz NQJKTUOFWXHCSU-AWEZNQCLSA-N 1 2 359.430 2.340 20 30 FEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1nn(-c2cccc(F)c2)c2c1CCC2 ZINC000519710023 562140919 /nfs/dbraw/zinc/14/09/19/562140919.db2.gz VPGNRBAKMOBCLP-IBGZPJMESA-N 1 2 355.417 2.074 20 30 FEEDLO N#Cc1ccccc1N1CCC[C@H](Nc2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000372980949 557602963 /nfs/dbraw/zinc/60/29/63/557602963.db2.gz NLRJLALRFVWXRD-KRWDZBQOSA-N 1 2 364.453 2.266 20 30 FEEDLO N#Cc1ccccc1N1CCC[C@H](Nc2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000372980949 557602966 /nfs/dbraw/zinc/60/29/66/557602966.db2.gz NLRJLALRFVWXRD-KRWDZBQOSA-N 1 2 364.453 2.266 20 30 FEEDLO CC(=O)c1ccc2c(c1)CC[N@@H+](CC(=O)NCc1ccc(C#N)cc1)CC2 ZINC000374333302 557867249 /nfs/dbraw/zinc/86/72/49/557867249.db2.gz UGACBHUFOXYGDZ-UHFFFAOYSA-N 1 2 361.445 2.478 20 30 FEEDLO CC(=O)c1ccc2c(c1)CC[N@H+](CC(=O)NCc1ccc(C#N)cc1)CC2 ZINC000374333302 557867251 /nfs/dbraw/zinc/86/72/51/557867251.db2.gz UGACBHUFOXYGDZ-UHFFFAOYSA-N 1 2 361.445 2.478 20 30 FEEDLO C=C(C)COc1cccc(NC(=O)C(=O)N2CC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000374334993 557867604 /nfs/dbraw/zinc/86/76/04/557867604.db2.gz XEBIYKQAHFUWFC-HNNXBMFYSA-N 1 2 368.437 2.330 20 30 FEEDLO COc1cccc(OCC[N@@H+]2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)c1 ZINC000374390455 557877500 /nfs/dbraw/zinc/87/75/00/557877500.db2.gz WLMBVWNAIMOFOD-YCRPNKLZSA-N 1 2 363.417 2.419 20 30 FEEDLO COc1cccc(OCC[N@H+]2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)c1 ZINC000374390455 557877502 /nfs/dbraw/zinc/87/75/02/557877502.db2.gz WLMBVWNAIMOFOD-YCRPNKLZSA-N 1 2 363.417 2.419 20 30 FEEDLO CS(=O)(=O)c1ccc2c(c1)CC[N@@H+](CCOc1cccc(C#N)c1)CC2 ZINC000374757998 557926457 /nfs/dbraw/zinc/92/64/57/557926457.db2.gz AQOQGKFGEMAZDS-UHFFFAOYSA-N 1 2 370.474 2.441 20 30 FEEDLO CS(=O)(=O)c1ccc2c(c1)CC[N@H+](CCOc1cccc(C#N)c1)CC2 ZINC000374757998 557926459 /nfs/dbraw/zinc/92/64/59/557926459.db2.gz AQOQGKFGEMAZDS-UHFFFAOYSA-N 1 2 370.474 2.441 20 30 FEEDLO Cc1nn(C)c(C)c1[C@@H]1COCCN1Cc1c[nH+]c2ccc(C#N)cn12 ZINC000375261934 558000643 /nfs/dbraw/zinc/00/06/43/558000643.db2.gz KUATYIKFRNOAGB-KRWDZBQOSA-N 1 2 350.426 2.130 20 30 FEEDLO N#Cc1c2c(sc1NC(=O)C[N@@H+]1CC[C@@H](n3cncn3)C1)CCCCC2 ZINC000375316536 558008034 /nfs/dbraw/zinc/00/80/34/558008034.db2.gz DQCBAVXVJBRFSU-CYBMUJFWSA-N 1 2 370.482 2.366 20 30 FEEDLO N#Cc1c2c(sc1NC(=O)C[N@H+]1CC[C@@H](n3cncn3)C1)CCCCC2 ZINC000375316536 558008035 /nfs/dbraw/zinc/00/80/35/558008035.db2.gz DQCBAVXVJBRFSU-CYBMUJFWSA-N 1 2 370.482 2.366 20 30 FEEDLO Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1Nc1ccc(C#N)cc1Br ZINC000375366214 558016187 /nfs/dbraw/zinc/01/61/87/558016187.db2.gz KBPARBAAFNLKOM-CZUORRHYSA-N 1 2 374.242 2.486 20 30 FEEDLO C=C(C)Cn1c([C@H](C)CC)nnc1N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000521373405 562175296 /nfs/dbraw/zinc/17/52/96/562175296.db2.gz HMFPDMDFPXXUPR-HZPDHXFCSA-N 1 2 374.533 2.157 20 30 FEEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1CCc2cc[nH]c(=O)c2C1 ZINC000375979667 558109034 /nfs/dbraw/zinc/10/90/34/558109034.db2.gz GJKHUGFAVSFUIX-UHFFFAOYSA-N 1 2 354.435 2.400 20 30 FEEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1CCc2cc[nH]c(=O)c2C1 ZINC000375979667 558109035 /nfs/dbraw/zinc/10/90/35/558109035.db2.gz GJKHUGFAVSFUIX-UHFFFAOYSA-N 1 2 354.435 2.400 20 30 FEEDLO Cc1ncccc1O[C@H]1CC[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000375983309 558109577 /nfs/dbraw/zinc/10/95/77/558109577.db2.gz CKFFTPBLBTWDNO-KRWDZBQOSA-N 1 2 371.462 2.189 20 30 FEEDLO Cc1ncccc1O[C@H]1CC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000375983309 558109579 /nfs/dbraw/zinc/10/95/79/558109579.db2.gz CKFFTPBLBTWDNO-KRWDZBQOSA-N 1 2 371.462 2.189 20 30 FEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)Cc1c(F)ccc(Br)c1F ZINC000521632676 562180848 /nfs/dbraw/zinc/18/08/48/562180848.db2.gz VQNSKPKGZIVGAO-CQSZACIVSA-N 1 2 360.202 2.230 20 30 FEEDLO N#Cc1ccccc1CSCCNC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000522238931 562194919 /nfs/dbraw/zinc/19/49/19/562194919.db2.gz ZFHNVTORVDRAOF-UHFFFAOYSA-N 1 2 364.434 2.197 20 30 FEEDLO Cc1n[nH]c(C)c1[C@H]1COCC[N@@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000378330640 558531314 /nfs/dbraw/zinc/53/13/14/558531314.db2.gz ICDZLTVIBNTXRB-QGZVFWFLSA-N 1 2 353.426 2.300 20 30 FEEDLO Cc1n[nH]c(C)c1[C@H]1COCC[N@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000378330640 558531316 /nfs/dbraw/zinc/53/13/16/558531316.db2.gz ICDZLTVIBNTXRB-QGZVFWFLSA-N 1 2 353.426 2.300 20 30 FEEDLO C[C@@H]1C[N@H+](CCNC(=O)c2ccc(COc3ccccc3C#N)o2)CCO1 ZINC000523777063 562219821 /nfs/dbraw/zinc/21/98/21/562219821.db2.gz IVLKOBRMZHXBPV-OAHLLOKOSA-N 1 2 369.421 2.181 20 30 FEEDLO C[C@@H]1C[N@@H+](CCNC(=O)c2ccc(COc3ccccc3C#N)o2)CCO1 ZINC000523777063 562219822 /nfs/dbraw/zinc/21/98/22/562219822.db2.gz IVLKOBRMZHXBPV-OAHLLOKOSA-N 1 2 369.421 2.181 20 30 FEEDLO Cc1ncc(S(=O)(=O)N2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1C#N ZINC000396374446 558623297 /nfs/dbraw/zinc/62/32/97/558623297.db2.gz MGDDVCMYOHJZPA-HNNXBMFYSA-N 1 2 370.478 2.157 20 30 FEEDLO Cc1ncc(S(=O)(=O)N2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1C#N ZINC000396374446 558623299 /nfs/dbraw/zinc/62/32/99/558623299.db2.gz MGDDVCMYOHJZPA-HNNXBMFYSA-N 1 2 370.478 2.157 20 30 FEEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](N2CCCC2=O)CC1 ZINC000412052648 559007207 /nfs/dbraw/zinc/00/72/07/559007207.db2.gz CXJSHGIIILJAOP-PKOBYXMFSA-N 1 2 355.438 2.249 20 30 FEEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](N2CCCC2=O)CC1 ZINC000412052648 559007208 /nfs/dbraw/zinc/00/72/08/559007208.db2.gz CXJSHGIIILJAOP-PKOBYXMFSA-N 1 2 355.438 2.249 20 30 FEEDLO CN(CC(=O)Nc1cc(Cl)ccc1C#N)C(C)(C)C[NH+]1CCOCC1 ZINC000412084438 559011603 /nfs/dbraw/zinc/01/16/03/559011603.db2.gz CFAMLZODPBPCKW-UHFFFAOYSA-N 1 2 364.877 2.193 20 30 FEEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+](C)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000526055912 562265415 /nfs/dbraw/zinc/26/54/15/562265415.db2.gz IFAWEQOHFBWIRC-CZUORRHYSA-N 1 2 374.872 2.328 20 30 FEEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000526055912 562265416 /nfs/dbraw/zinc/26/54/16/562265416.db2.gz IFAWEQOHFBWIRC-CZUORRHYSA-N 1 2 374.872 2.328 20 30 FEEDLO CN(C(=O)c1cnc(C(F)(F)F)c(C#N)c1)C(C)(C)C[NH+]1CCOCC1 ZINC000414037607 559148284 /nfs/dbraw/zinc/14/82/84/559148284.db2.gz GPFYNANNBLEACN-UHFFFAOYSA-N 1 2 370.375 2.155 20 30 FEEDLO C[N@H+](CCC#N)C[C@H](O)Cn1nc2c3c1cccc3C(=O)c1ccccc1-2 ZINC000414117318 559149917 /nfs/dbraw/zinc/14/99/17/559149917.db2.gz ZEDHSDFGPBFRPA-AWEZNQCLSA-N 1 2 360.417 2.454 20 30 FEEDLO C[N@@H+](CCC#N)C[C@H](O)Cn1nc2c3c1cccc3C(=O)c1ccccc1-2 ZINC000414117318 559149919 /nfs/dbraw/zinc/14/99/19/559149919.db2.gz ZEDHSDFGPBFRPA-AWEZNQCLSA-N 1 2 360.417 2.454 20 30 FEEDLO C[N@H+](CCC#N)C[C@H](O)CN(Cc1cccnc1)c1nc2ccccc2[nH]1 ZINC000414159376 559151022 /nfs/dbraw/zinc/15/10/22/559151022.db2.gz YKQLTLQEIODROG-KRWDZBQOSA-N 1 2 364.453 2.171 20 30 FEEDLO C[N@@H+](CCC#N)C[C@H](O)CN(Cc1cccnc1)c1nc2ccccc2[nH]1 ZINC000414159376 559151023 /nfs/dbraw/zinc/15/10/23/559151023.db2.gz YKQLTLQEIODROG-KRWDZBQOSA-N 1 2 364.453 2.171 20 30 FEEDLO C=CCn1c(SC[C@H](O)C[N@H+](C)CCC#N)nnc1-c1cccs1 ZINC000414167881 559151341 /nfs/dbraw/zinc/15/13/41/559151341.db2.gz SZXWARCWKHAKCU-CYBMUJFWSA-N 1 2 363.512 2.491 20 30 FEEDLO C=CCn1c(SC[C@H](O)C[N@@H+](C)CCC#N)nnc1-c1cccs1 ZINC000414167881 559151342 /nfs/dbraw/zinc/15/13/42/559151342.db2.gz SZXWARCWKHAKCU-CYBMUJFWSA-N 1 2 363.512 2.491 20 30 FEEDLO Cc1[nH+]c2cc(NC(=O)C(=O)Nc3ccc(F)cc3C#N)ccc2n1C ZINC000527146097 562277960 /nfs/dbraw/zinc/27/79/60/562277960.db2.gz AVBMTQSWNWKYTD-UHFFFAOYSA-N 1 2 351.341 2.470 20 30 FEEDLO C[C@@H](C#N)S(=O)(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000416387148 559309316 /nfs/dbraw/zinc/30/93/16/559309316.db2.gz JJRDAKMFQGXBHS-FZMZJTMJSA-N 1 2 359.854 2.275 20 30 FEEDLO C[C@@H](C#N)S(=O)(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000416387148 559309317 /nfs/dbraw/zinc/30/93/17/559309317.db2.gz JJRDAKMFQGXBHS-FZMZJTMJSA-N 1 2 359.854 2.275 20 30 FEEDLO Cc1[nH+]c2cc(CNS(=O)(=O)N(C)[C@@H](C)CC#N)ccc2n1C1CC1 ZINC000416480036 559316392 /nfs/dbraw/zinc/31/63/92/559316392.db2.gz ODWWANXBXYNEHU-LBPRGKRZSA-N 1 2 361.471 2.248 20 30 FEEDLO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](c1ccco1)c1ccc(OC)cc1 ZINC000419277897 559434967 /nfs/dbraw/zinc/43/49/67/559434967.db2.gz GYJLCVFPYIYRSW-CXAGYDPISA-N 1 2 357.410 2.368 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2C[C@@H](CO)OC(C)(C)C2)c1 ZINC000420929448 559512347 /nfs/dbraw/zinc/51/23/47/559512347.db2.gz DEHBMPQWWHVSQV-MJGOQNOKSA-N 1 2 373.497 2.410 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2C[C@@H](CO)OC(C)(C)C2)c1 ZINC000420929448 559512348 /nfs/dbraw/zinc/51/23/48/559512348.db2.gz DEHBMPQWWHVSQV-MJGOQNOKSA-N 1 2 373.497 2.410 20 30 FEEDLO Cc1ccccc1[C@@H](OC[C@@H](O)C[NH+]1CC(O)(CC#N)C1)c1ccccc1 ZINC000424130480 559655647 /nfs/dbraw/zinc/65/56/47/559655647.db2.gz FJQKHGHNVHTANF-FPOVZHCZSA-N 1 2 366.461 2.422 20 30 FEEDLO C=CCCn1cc(C(=O)N2CC[NH+]([C@H](C)c3cccc(OC)c3)CC2)nn1 ZINC000424652058 559672373 /nfs/dbraw/zinc/67/23/73/559672373.db2.gz VZGOCBLZOTWMPY-MRXNPFEDSA-N 1 2 369.469 2.382 20 30 FEEDLO Cc1cc(NCc2ccccc2CS(=O)(=O)NC(C)C)c(C#N)c[nH+]1 ZINC000425204714 559691126 /nfs/dbraw/zinc/69/11/26/559691126.db2.gz HIXZLGDUAYJOBU-UHFFFAOYSA-N 1 2 358.467 2.124 20 30 FEEDLO C=CCN1CC[C@H](N(C)C(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)C1=O ZINC000425286332 559694842 /nfs/dbraw/zinc/69/48/42/559694842.db2.gz HLRJHIJINSYLAY-SJORKVTESA-N 1 2 352.438 2.177 20 30 FEEDLO COC(=O)c1conc1C(C)(C)[NH2+]CCC(=O)Nc1ccc(C#N)cc1 ZINC000425585528 559710828 /nfs/dbraw/zinc/71/08/28/559710828.db2.gz KGAMYMDKWZMQPN-UHFFFAOYSA-N 1 2 356.382 2.186 20 30 FEEDLO C[C@H]1CN(c2ccc(CNC(=O)c3ncc(C#N)cc3Cl)c[nH+]2)CCO1 ZINC000427908333 559765128 /nfs/dbraw/zinc/76/51/28/559765128.db2.gz NDMDIJXSOWFCPV-LBPRGKRZSA-N 1 2 371.828 2.157 20 30 FEEDLO C=CCN(CCC#N)CC(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000428832540 559784319 /nfs/dbraw/zinc/78/43/19/559784319.db2.gz GSWBTIQYIMPKKW-UHFFFAOYSA-N 1 2 360.889 2.386 20 30 FEEDLO COc1cc[nH+]cc1CNS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000431584541 559842032 /nfs/dbraw/zinc/84/20/32/559842032.db2.gz IRNSBDUAXHTBOB-UHFFFAOYSA-N 1 2 371.340 2.459 20 30 FEEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+](C)[C@H](CO)COC(C)C)c1C ZINC000433270792 559875269 /nfs/dbraw/zinc/87/52/69/559875269.db2.gz RNVMGSDFGAVZDR-GOSISDBHSA-N 1 2 361.486 2.268 20 30 FEEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+](C)[C@H](CO)COC(C)C)c1C ZINC000433270792 559875270 /nfs/dbraw/zinc/87/52/70/559875270.db2.gz RNVMGSDFGAVZDR-GOSISDBHSA-N 1 2 361.486 2.268 20 30 FEEDLO C=CCN1C(=O)c2ccc(C(=O)N3CCC(c4c[nH+]c[nH]4)CC3)cc2C1=O ZINC000434316452 559897869 /nfs/dbraw/zinc/89/78/69/559897869.db2.gz RTXWGDCKCDBAEP-UHFFFAOYSA-N 1 2 364.405 2.212 20 30 FEEDLO C=CCN1C(=O)c2ccc(C(=O)N3CCC(c4c[nH]c[nH+]4)CC3)cc2C1=O ZINC000434316452 559897870 /nfs/dbraw/zinc/89/78/70/559897870.db2.gz RTXWGDCKCDBAEP-UHFFFAOYSA-N 1 2 364.405 2.212 20 30 FEEDLO CCC(CC)[C@H](CNS(=O)(=O)c1ccc(C#N)s1)[NH+]1CCOCC1 ZINC000435435543 559923022 /nfs/dbraw/zinc/92/30/22/559923022.db2.gz YLHSYBAMDPFWML-HNNXBMFYSA-N 1 2 371.528 2.035 20 30 FEEDLO CC[C@H](c1nnc(S[C@H](C#N)CC)n1CCN1CCOCC1)[NH+](C)C ZINC000436058062 559934478 /nfs/dbraw/zinc/93/44/78/559934478.db2.gz JKTQVTPCOLXBAE-LSDHHAIUSA-N 1 2 366.535 2.017 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[NH+]2CCC(Oc3ccccn3)CC2)cc1 ZINC000437869820 559970875 /nfs/dbraw/zinc/97/08/75/559970875.db2.gz GONZNNFUGPFMEV-UHFFFAOYSA-N 1 2 371.462 2.270 20 30 FEEDLO C[N@H+](CC#Cc1ccc(OC(F)(F)F)cc1)C[C@@H]1CCS(=O)(=O)C1 ZINC000438065019 559973578 /nfs/dbraw/zinc/97/35/78/559973578.db2.gz HLPDTWQAHBYPLV-AWEZNQCLSA-N 1 2 361.385 2.303 20 30 FEEDLO C[N@@H+](CC#Cc1ccc(OC(F)(F)F)cc1)C[C@@H]1CCS(=O)(=O)C1 ZINC000438065019 559973579 /nfs/dbraw/zinc/97/35/79/559973579.db2.gz HLPDTWQAHBYPLV-AWEZNQCLSA-N 1 2 361.385 2.303 20 30 FEEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000438822690 559984187 /nfs/dbraw/zinc/98/41/87/559984187.db2.gz HPKZGGFUISOFLI-GOSISDBHSA-N 1 2 360.498 2.486 20 30 FEEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000438822690 559984188 /nfs/dbraw/zinc/98/41/88/559984188.db2.gz HPKZGGFUISOFLI-GOSISDBHSA-N 1 2 360.498 2.486 20 30 FEEDLO CC[N@H+](CC(=O)Nc1ccccc1SC[C@H](C)C#N)[C@H]1CCNC1=O ZINC000440964297 560020446 /nfs/dbraw/zinc/02/04/46/560020446.db2.gz FJHWOSLSYBVCPX-HIFRSBDPSA-N 1 2 360.483 2.087 20 30 FEEDLO CC[N@@H+](CC(=O)Nc1ccccc1SC[C@H](C)C#N)[C@H]1CCNC1=O ZINC000440964297 560020447 /nfs/dbraw/zinc/02/04/47/560020447.db2.gz FJHWOSLSYBVCPX-HIFRSBDPSA-N 1 2 360.483 2.087 20 30 FEEDLO C[C@]1(Br)C[C@@H]1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000527685599 562300138 /nfs/dbraw/zinc/30/01/38/562300138.db2.gz PHZCTHPIONWFKE-WBVHZDCISA-N 1 2 362.271 2.376 20 30 FEEDLO N#Cc1ccc(CNC(=O)C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000446718059 560150366 /nfs/dbraw/zinc/15/03/66/560150366.db2.gz XAWNXAXJBQKRRE-UHFFFAOYSA-N 1 2 350.378 2.141 20 30 FEEDLO N#Cc1ccc(CNC(=O)C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000446718059 560150367 /nfs/dbraw/zinc/15/03/67/560150367.db2.gz XAWNXAXJBQKRRE-UHFFFAOYSA-N 1 2 350.378 2.141 20 30 FEEDLO N#Cc1cccc(CNC(=O)C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000446736609 560150833 /nfs/dbraw/zinc/15/08/33/560150833.db2.gz QELOSPIORQIBOA-UHFFFAOYSA-N 1 2 350.378 2.141 20 30 FEEDLO N#Cc1cccc(CNC(=O)C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000446736609 560150834 /nfs/dbraw/zinc/15/08/34/560150834.db2.gz QELOSPIORQIBOA-UHFFFAOYSA-N 1 2 350.378 2.141 20 30 FEEDLO CSc1[nH]c(=O)c(C(=O)N2CCC(Cc3[nH+]ccn3C)CC2)cc1C#N ZINC000448422445 560186741 /nfs/dbraw/zinc/18/67/41/560186741.db2.gz WZRPBEKPWNBQFX-UHFFFAOYSA-N 1 2 371.466 2.209 20 30 FEEDLO C[C@@H]1C[C@@]1(C#N)C(=O)N1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000448809529 560200409 /nfs/dbraw/zinc/20/04/09/560200409.db2.gz JGWINKFESWQAKE-ACJLOTCBSA-N 1 2 357.845 2.182 20 30 FEEDLO C[C@@H]1C[N@@H+]([C@@H](CNC(=O)c2ccc(C#N)n2C)c2cccs2)CCO1 ZINC000450047880 560249079 /nfs/dbraw/zinc/24/90/79/560249079.db2.gz WFIICELPYCKVHB-CJNGLKHVSA-N 1 2 358.467 2.150 20 30 FEEDLO C[C@@H]1C[N@H+]([C@@H](CNC(=O)c2ccc(C#N)n2C)c2cccs2)CCO1 ZINC000450047880 560249080 /nfs/dbraw/zinc/24/90/80/560249080.db2.gz WFIICELPYCKVHB-CJNGLKHVSA-N 1 2 358.467 2.150 20 30 FEEDLO N#Cc1ccccc1S(=O)(=O)N1CC[NH+](C[C@H]2CCC(F)(F)C2)CC1 ZINC000450250190 560255794 /nfs/dbraw/zinc/25/57/94/560255794.db2.gz HOJGTKUGCNOJCH-AWEZNQCLSA-N 1 2 369.437 2.300 20 30 FEEDLO N#CCCN(C(=O)C[N@H+]1CC[C@@](O)(C(F)F)C1)c1cccc(Cl)c1 ZINC000451437447 560306944 /nfs/dbraw/zinc/30/69/44/560306944.db2.gz LSXXPJKJGNDIRF-INIZCTEOSA-N 1 2 357.788 2.289 20 30 FEEDLO N#CCCN(C(=O)C[N@@H+]1CC[C@@](O)(C(F)F)C1)c1cccc(Cl)c1 ZINC000451437447 560306945 /nfs/dbraw/zinc/30/69/45/560306945.db2.gz LSXXPJKJGNDIRF-INIZCTEOSA-N 1 2 357.788 2.289 20 30 FEEDLO CC[C@@H](C)[C@H](CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)OC ZINC000455216885 560474298 /nfs/dbraw/zinc/47/42/98/560474298.db2.gz NUBAPKJVRGDSQK-APWZRJJASA-N 1 2 358.486 2.447 20 30 FEEDLO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N[C@@H]3C[C@@H](C)n4cc[nH+]c43)C2)n1 ZINC000456441656 560520689 /nfs/dbraw/zinc/52/06/89/560520689.db2.gz ZIBFEXDDPLZKPB-HYVNUMGLSA-N 1 2 364.453 2.497 20 30 FEEDLO Cc1ccc([C@@H](CNC(=O)c2cc(C)c(C#N)cn2)[NH+]2CCOCC2)cc1 ZINC000457483050 560569752 /nfs/dbraw/zinc/56/97/52/560569752.db2.gz PQNAMTGMZNQEHK-HXUWFJFHSA-N 1 2 364.449 2.373 20 30 FEEDLO C[C@@H]1CN(c2ccc(CNC(=O)NCC(C)(C)CC#N)c[nH+]2)C[C@H](C)O1 ZINC000457670340 560581108 /nfs/dbraw/zinc/58/11/08/560581108.db2.gz XONHUIWOZRBHMR-GASCZTMLSA-N 1 2 359.474 2.434 20 30 FEEDLO Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000461322243 560766788 /nfs/dbraw/zinc/76/67/88/560766788.db2.gz LMKFPGSVUZGEFC-UHFFFAOYSA-N 1 2 369.388 2.885 20 30 FEEDLO COc1ccc(C[NH+]2CCN(C(=O)N[C@@H]3CCC[C@@H]3C#N)CC2)cc1F ZINC000461963183 560789961 /nfs/dbraw/zinc/78/99/61/560789961.db2.gz YVDIPFXBIQFKLG-NVXWUHKLSA-N 1 2 360.433 2.354 20 30 FEEDLO COC(=O)[C@@H]1C[C@H](C2CCCCC2)C[N@@H+]1CC(=O)N[C@](C)(C#N)C(C)C ZINC000464817566 560852153 /nfs/dbraw/zinc/85/21/53/560852153.db2.gz HCFKZNOZEYUIIR-ABSDTBQOSA-N 1 2 363.502 2.485 20 30 FEEDLO COC(=O)[C@@H]1C[C@H](C2CCCCC2)C[N@H+]1CC(=O)N[C@](C)(C#N)C(C)C ZINC000464817566 560852154 /nfs/dbraw/zinc/85/21/54/560852154.db2.gz HCFKZNOZEYUIIR-ABSDTBQOSA-N 1 2 363.502 2.485 20 30 FEEDLO COC(=O)C1CCN(C(=O)C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)CC1 ZINC000464819655 560852551 /nfs/dbraw/zinc/85/25/51/560852551.db2.gz TXKNKZORJQUDAA-MOPGFXCFSA-N 1 2 369.465 2.170 20 30 FEEDLO COC(=O)C1CCN(C(=O)C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)CC1 ZINC000464819655 560852552 /nfs/dbraw/zinc/85/25/52/560852552.db2.gz TXKNKZORJQUDAA-MOPGFXCFSA-N 1 2 369.465 2.170 20 30 FEEDLO N#Cc1ccc(OCCNC(=O)N2CC[NH+](Cc3ccco3)CC2)cc1 ZINC000466104651 560880321 /nfs/dbraw/zinc/88/03/21/560880321.db2.gz PWMOCVIIMXHBCH-UHFFFAOYSA-N 1 2 354.410 2.057 20 30 FEEDLO C[C@H](C(=O)NC1(C#N)CCC1)N1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC000469721110 560962754 /nfs/dbraw/zinc/96/27/54/560962754.db2.gz RZMIDPJIOGIMPY-JKSUJKDBSA-N 1 2 358.461 2.455 20 30 FEEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCSC[C@H]2CCO)c1C ZINC000470210185 560976706 /nfs/dbraw/zinc/97/67/06/560976706.db2.gz ACHGPDGPIXJXJG-QGZVFWFLSA-N 1 2 361.511 2.350 20 30 FEEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCSC[C@H]2CCO)c1C ZINC000470210185 560976707 /nfs/dbraw/zinc/97/67/07/560976707.db2.gz ACHGPDGPIXJXJG-QGZVFWFLSA-N 1 2 361.511 2.350 20 30 FEEDLO CCN1CCN(CC(=O)N(CCC#N)c2ccccc2)C[C@H]1c1[nH]cc[nH+]1 ZINC000471075465 560997925 /nfs/dbraw/zinc/99/79/25/560997925.db2.gz PRGNADBOHDCTOU-SFHVURJKSA-N 1 2 366.469 2.035 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCN(c2ccc3ccccc3n2)CC1 ZINC000471185766 560999861 /nfs/dbraw/zinc/99/98/61/560999861.db2.gz DJPJZDIBQJIYNC-OAQYLSRUSA-N 1 2 365.481 2.411 20 30 FEEDLO CN1CC[N@H+](C)[C@@H](CNC(=O)Nc2ccccc2C#Cc2ccccc2)C1 ZINC000472875192 561037029 /nfs/dbraw/zinc/03/70/29/561037029.db2.gz BBCPIVCAJUFGAR-FQEVSTJZSA-N 1 2 362.477 2.454 20 30 FEEDLO CN1CC[N@@H+](C)[C@@H](CNC(=O)Nc2ccccc2C#Cc2ccccc2)C1 ZINC000472875192 561037030 /nfs/dbraw/zinc/03/70/30/561037030.db2.gz BBCPIVCAJUFGAR-FQEVSTJZSA-N 1 2 362.477 2.454 20 30 FEEDLO Cn1cc[nH+]c1CNC(=O)C(=O)Nc1ccccc1C#Cc1ccccc1 ZINC000473375213 561048788 /nfs/dbraw/zinc/04/87/88/561048788.db2.gz WWGCTWQIRAUIKW-UHFFFAOYSA-N 1 2 358.401 2.075 20 30 FEEDLO N#Cc1ccccc1OC[C@H](O)C[NH+]1CCN(Cc2cccs2)CC1 ZINC000528350646 562324090 /nfs/dbraw/zinc/32/40/90/562324090.db2.gz RHQHTGUVFORXOV-QGZVFWFLSA-N 1 2 357.479 2.177 20 30 FEEDLO O=C1c2ccccc2C(=O)N1CC#CC[N@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000528509762 562333176 /nfs/dbraw/zinc/33/31/76/562333176.db2.gz NTHWSUOIULKHPE-OAHLLOKOSA-N 1 2 368.824 2.083 20 30 FEEDLO O=C1c2ccccc2C(=O)N1CC#CC[N@@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000528509762 562333177 /nfs/dbraw/zinc/33/31/77/562333177.db2.gz NTHWSUOIULKHPE-OAHLLOKOSA-N 1 2 368.824 2.083 20 30 FEEDLO COCc1ccc(NC(=O)N[C@H]2CCO[C@@H](c3c[nH+]cn3C)C2)cc1C#N ZINC000529210806 562365028 /nfs/dbraw/zinc/36/50/28/562365028.db2.gz IIEXDWNAQASCGV-FUHWJXTLSA-N 1 2 369.425 2.480 20 30 FEEDLO Cc1ccc(C#N)cc1NC(=O)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000530843762 562426008 /nfs/dbraw/zinc/42/60/08/562426008.db2.gz QAMGXKLDMXURRE-UHFFFAOYSA-N 1 2 359.389 2.307 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1=O ZINC000532204650 562470523 /nfs/dbraw/zinc/47/05/23/562470523.db2.gz XRXICWVUHQLXCF-DOMZBBRYSA-N 1 2 372.494 2.154 20 30 FEEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1=O ZINC000532204650 562470524 /nfs/dbraw/zinc/47/05/24/562470524.db2.gz XRXICWVUHQLXCF-DOMZBBRYSA-N 1 2 372.494 2.154 20 30 FEEDLO COc1ccc(OC)c(C[NH+]2CCN(C(=O)C3(C#N)CC(C)C3)CC2)c1 ZINC000532319699 562473865 /nfs/dbraw/zinc/47/38/65/562473865.db2.gz VIWZOUTZDWSEAU-UHFFFAOYSA-N 1 2 357.454 2.288 20 30 FEEDLO CN(Cc1cnn(C)c1)C(=O)C[N@@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000532588484 562482472 /nfs/dbraw/zinc/48/24/72/562482472.db2.gz PSMPKGHFIMVJPU-RTBURBONSA-N 1 2 351.454 2.150 20 30 FEEDLO CN(Cc1cnn(C)c1)C(=O)C[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000532588484 562482473 /nfs/dbraw/zinc/48/24/73/562482473.db2.gz PSMPKGHFIMVJPU-RTBURBONSA-N 1 2 351.454 2.150 20 30 FEEDLO N#Cc1ccc([C@@H](C(N)=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)cc1 ZINC000532964260 562493911 /nfs/dbraw/zinc/49/39/11/562493911.db2.gz BLQFFEKWROKXQP-PAKAJVGYSA-N 1 2 360.461 2.416 20 30 FEEDLO COCC[N@H+](CC(=O)NCC(=O)c1cccs1)Cc1ccc(C#N)cc1 ZINC000533265518 562503284 /nfs/dbraw/zinc/50/32/84/562503284.db2.gz AVFOZXDRRLUVIQ-UHFFFAOYSA-N 1 2 371.462 2.067 20 30 FEEDLO COCC[N@@H+](CC(=O)NCC(=O)c1cccs1)Cc1ccc(C#N)cc1 ZINC000533265518 562503285 /nfs/dbraw/zinc/50/32/85/562503285.db2.gz AVFOZXDRRLUVIQ-UHFFFAOYSA-N 1 2 371.462 2.067 20 30 FEEDLO COC(=O)[C@@H](c1cccc(Cl)c1)[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000534834442 562543481 /nfs/dbraw/zinc/54/34/81/562543481.db2.gz VJDBMUYPINDBAE-OAHLLOKOSA-N 1 2 361.833 2.296 20 30 FEEDLO COC(=O)[C@@H](c1cccc(Cl)c1)[N@@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000534834442 562543482 /nfs/dbraw/zinc/54/34/82/562543482.db2.gz VJDBMUYPINDBAE-OAHLLOKOSA-N 1 2 361.833 2.296 20 30 FEEDLO COc1nc2ccccc2cc1CN(CCC#N)CC[NH+]1CCOCC1 ZINC000535064947 562550072 /nfs/dbraw/zinc/55/00/72/562550072.db2.gz LMERCFPVOJLLQB-UHFFFAOYSA-N 1 2 354.454 2.291 20 30 FEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@H]1[C@@H]2c3ccc(Br)cc3C[C@H]12 ZINC000602335286 567969522 /nfs/dbraw/zinc/96/95/22/567969522.db2.gz VMBHKXNSZMINEZ-HWMZRRJGSA-N 1 2 362.271 2.295 20 30 FEEDLO C[C@H](C(=O)Nc1ccc2c(c1)OCCCO2)[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602856090 568002432 /nfs/dbraw/zinc/00/24/32/568002432.db2.gz KAEYJBQFVWAECE-HRCADAONSA-N 1 2 372.469 2.093 20 30 FEEDLO CCCCOc1cccc(CNC(=O)C[NH+]2C[C@H](C)N(CC#N)[C@@H](C)C2)c1 ZINC000602867578 568008507 /nfs/dbraw/zinc/00/85/07/568008507.db2.gz YNHLAEHBJOXMHJ-ROUUACIJSA-N 1 2 372.513 2.400 20 30 FEEDLO COc1cc(C[NH+]2CCN(CCC#N)CC2)cc(OC)c1OCC(F)F ZINC000602748880 568022566 /nfs/dbraw/zinc/02/25/66/568022566.db2.gz UVFHXLNNRQHMAU-UHFFFAOYSA-N 1 2 369.412 2.379 20 30 FEEDLO C[C@@H]1CCCN(C(=O)C2CCN(C(=O)C[N@H+](C)[C@@H]3CCC[C@@H]3C#N)CC2)C1 ZINC000602976236 568036018 /nfs/dbraw/zinc/03/60/18/568036018.db2.gz NBXNOCSONOLFRE-BHIYHBOVSA-N 1 2 374.529 2.108 20 30 FEEDLO C[C@@H]1CCCN(C(=O)C2CCN(C(=O)C[N@@H+](C)[C@@H]3CCC[C@@H]3C#N)CC2)C1 ZINC000602976236 568036020 /nfs/dbraw/zinc/03/60/20/568036020.db2.gz NBXNOCSONOLFRE-BHIYHBOVSA-N 1 2 374.529 2.108 20 30 FEEDLO N#CCC1(CN2CC[NH+]([C@@H]3CCCN(Cc4ccccc4)C3=O)CC2)CC1 ZINC000602801697 568036899 /nfs/dbraw/zinc/03/68/99/568036899.db2.gz MBJHOPIKWKLPTR-HXUWFJFHSA-N 1 2 366.509 2.489 20 30 FEEDLO N#CCC1(C[NH+]2CCN([C@@H]3CCCN(Cc4ccccc4)C3=O)CC2)CC1 ZINC000602801697 568036900 /nfs/dbraw/zinc/03/69/00/568036900.db2.gz MBJHOPIKWKLPTR-HXUWFJFHSA-N 1 2 366.509 2.489 20 30 FEEDLO C[N@H+](CC(=O)N1CCC(NC(=O)c2ccccc2)CC1)[C@H]1CCC[C@H]1C#N ZINC000602980405 568036957 /nfs/dbraw/zinc/03/69/57/568036957.db2.gz PUOKMPDHJBDUKJ-HKUYNNGSSA-N 1 2 368.481 2.031 20 30 FEEDLO C[N@@H+](CC(=O)N1CCC(NC(=O)c2ccccc2)CC1)[C@H]1CCC[C@H]1C#N ZINC000602980405 568036958 /nfs/dbraw/zinc/03/69/58/568036958.db2.gz PUOKMPDHJBDUKJ-HKUYNNGSSA-N 1 2 368.481 2.031 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Nc1snc2ccccc21 ZINC000603032939 568053665 /nfs/dbraw/zinc/05/36/65/568053665.db2.gz IKRVFGKVJIRALE-UHFFFAOYSA-N 1 2 359.455 2.376 20 30 FEEDLO Cc1cccc([C@@H]2C(=O)NCC[N@H+]2CCC(=O)Nc2ccc(C#N)cc2)c1 ZINC000568880921 568244183 /nfs/dbraw/zinc/24/41/83/568244183.db2.gz OAAVOGJXEYEPOJ-HXUWFJFHSA-N 1 2 362.433 2.368 20 30 FEEDLO Cc1cccc([C@@H]2C(=O)NCC[N@@H+]2CCC(=O)Nc2ccc(C#N)cc2)c1 ZINC000568880921 568244184 /nfs/dbraw/zinc/24/41/84/568244184.db2.gz OAAVOGJXEYEPOJ-HXUWFJFHSA-N 1 2 362.433 2.368 20 30 FEEDLO Cc1nc(-c2ccccc2)[nH]c1C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000604538419 568309201 /nfs/dbraw/zinc/30/92/01/568309201.db2.gz HIKQMZFXASONJT-UHFFFAOYSA-N 1 2 367.453 2.073 20 30 FEEDLO C[C@H]1C[N@H+](Cc2ccc(C#N)cc2)CCN1Cc1ccc(-c2nn[nH]n2)cc1 ZINC000737196454 598899335 /nfs/dbraw/zinc/89/93/35/598899335.db2.gz JWRLQBSCXNNSID-INIZCTEOSA-N 1 2 373.464 2.445 20 30 FEEDLO C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)CCN1Cc1ccc(-c2nn[nH]n2)cc1 ZINC000737196454 598899338 /nfs/dbraw/zinc/89/93/38/598899338.db2.gz JWRLQBSCXNNSID-INIZCTEOSA-N 1 2 373.464 2.445 20 30 FEEDLO N#CC[C@@H](O)C[NH+]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000809572035 674498249 /nfs/dbraw/zinc/49/82/49/674498249.db2.gz HJUXBHGVPJVKGX-GFCCVEGCSA-N 1 2 358.320 2.010 20 30 FEEDLO C[C@@H]1CN(Cc2ccc(-c3nn[nH]n3)cc2)CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000822000393 606178288 /nfs/dbraw/zinc/17/82/88/606178288.db2.gz NKDPCQVJQNOJKW-MRXNPFEDSA-N 1 2 373.464 2.445 20 30 FEEDLO C[C@@H]1CN(Cc2ccc(-c3nn[nH]n3)cc2)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC000822000393 606178290 /nfs/dbraw/zinc/17/82/90/606178290.db2.gz NKDPCQVJQNOJKW-MRXNPFEDSA-N 1 2 373.464 2.445 20 30 FEEDLO C#C[C@@H]([NH2+]Cc1cn(-c2ccccc2Br)nn1)[C@H]1CCCO1 ZINC000810153066 674534763 /nfs/dbraw/zinc/53/47/63/674534763.db2.gz MFDGKZHKKQZAAX-GDBMZVCRSA-N 1 2 361.243 2.300 20 30 FEEDLO Cc1oc(NC(=O)[C@H](C)[NH+]2CCC(CC#N)CC2)c(-c2nn[nH]n2)c1C ZINC000826341513 609431175 /nfs/dbraw/zinc/43/11/75/609431175.db2.gz JMTFJTJAGSSDOE-NSHDSACASA-N 1 2 357.418 2.029 20 30 FEEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3ccn(CC(F)(F)F)n3)C2)nc1 ZINC000560245512 674573241 /nfs/dbraw/zinc/57/32/41/674573241.db2.gz KROYIJZJISCPPT-AWEZNQCLSA-N 1 2 351.332 2.365 20 30 FEEDLO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3ccn(CC(F)(F)F)n3)C2)nc1 ZINC000560245512 674573243 /nfs/dbraw/zinc/57/32/43/674573243.db2.gz KROYIJZJISCPPT-AWEZNQCLSA-N 1 2 351.332 2.365 20 30 FEEDLO C#C[C@@H](NC(=O)NCC[N@@H+]1CCO[C@@H](C)C1)c1ccc(Cl)cc1F ZINC000812021743 674647495 /nfs/dbraw/zinc/64/74/95/674647495.db2.gz ZKNJAMAJHMDXFG-BLLLJJGKSA-N 1 2 353.825 2.173 20 30 FEEDLO C#C[C@@H](NC(=O)NCC[N@H+]1CCO[C@@H](C)C1)c1ccc(Cl)cc1F ZINC000812021743 674647499 /nfs/dbraw/zinc/64/74/99/674647499.db2.gz ZKNJAMAJHMDXFG-BLLLJJGKSA-N 1 2 353.825 2.173 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCC(C(=O)OC(C)(C)C)CC1 ZINC000608976898 675908173 /nfs/dbraw/zinc/90/81/73/675908173.db2.gz YSLJPALKYBDJJN-IFXJQAMLSA-N 1 2 351.491 2.483 20 30 FEEDLO N#Cc1nc(NC[C@@]2([NH+]3CCOCC3)CCSC2)ccc1C(F)(F)F ZINC000583003595 672053623 /nfs/dbraw/zinc/05/36/23/672053623.db2.gz DDKKSYMUOJKLJY-HNNXBMFYSA-N 1 2 372.416 2.592 20 30 FEEDLO N#Cc1ccc(Cl)c(NC(=O)C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000610679774 675988943 /nfs/dbraw/zinc/98/89/43/675988943.db2.gz DKNRFLNUOSJZME-ZDUSSCGKSA-N 1 2 357.801 2.210 20 30 FEEDLO C=CCSc1nc2ccccc2n1C[N@@H+]1CCO[C@H](CNC(C)=O)C1 ZINC000172169925 672339638 /nfs/dbraw/zinc/33/96/38/672339638.db2.gz ASBOLBGFOKSABT-OAHLLOKOSA-N 1 2 360.483 2.109 20 30 FEEDLO C=CCSc1nc2ccccc2n1C[N@H+]1CCO[C@H](CNC(C)=O)C1 ZINC000172169925 672339640 /nfs/dbraw/zinc/33/96/40/672339640.db2.gz ASBOLBGFOKSABT-OAHLLOKOSA-N 1 2 360.483 2.109 20 30 FEEDLO C#CC[NH+]1CCC(C(=O)Nc2cccc(Cl)c2S(C)(=O)=O)CC1 ZINC000173797998 672354773 /nfs/dbraw/zinc/35/47/73/672354773.db2.gz JXXSAMWPWZCLQT-UHFFFAOYSA-N 1 2 354.859 2.027 20 30 FEEDLO CC[N@@H+]1CCN(S(=O)(=O)c2cccc(Br)c2C#N)C[C@@H]1C ZINC000588120730 672451206 /nfs/dbraw/zinc/45/12/06/672451206.db2.gz MDWWOJKBGJENPV-NSHDSACASA-N 1 2 372.288 2.035 20 30 FEEDLO CC[N@H+]1CCN(S(=O)(=O)c2cccc(Br)c2C#N)C[C@@H]1C ZINC000588120730 672451208 /nfs/dbraw/zinc/45/12/08/672451208.db2.gz MDWWOJKBGJENPV-NSHDSACASA-N 1 2 372.288 2.035 20 30 FEEDLO C=C(C)[C@@H](CO)[NH+]1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1 ZINC000682533864 672769656 /nfs/dbraw/zinc/76/96/56/672769656.db2.gz FLHVMBZEKSEALE-OAHLLOKOSA-N 1 2 373.280 2.453 20 30 FEEDLO CO[C@H]1C[C@@H](C(=O)Nc2cc(F)c(F)cc2N2CCOCC2)[N@H+](C)C1 ZINC000329212975 673073841 /nfs/dbraw/zinc/07/38/41/673073841.db2.gz IRWKUMKCMRWNAD-ZBEGNZNMSA-N 1 2 355.385 2.109 20 30 FEEDLO CO[C@H]1C[C@@H](C(=O)Nc2cc(F)c(F)cc2N2CCOCC2)[N@@H+](C)C1 ZINC000329212975 673073846 /nfs/dbraw/zinc/07/38/46/673073846.db2.gz IRWKUMKCMRWNAD-ZBEGNZNMSA-N 1 2 355.385 2.109 20 30 FEEDLO Cn1cc[nH+]c1[C@@H]1CCCN(S(=O)(=O)Cc2ccc(C#N)cc2F)C1 ZINC000443985999 673225156 /nfs/dbraw/zinc/22/51/56/673225156.db2.gz KMYLLQOWCWDQPM-CQSZACIVSA-N 1 2 362.430 2.140 20 30 FEEDLO CSc1nc(C2CC2)cc(C(=O)N[C@@H]2CCn3c[nH+]cc3C2)c1C#N ZINC000598945424 673624075 /nfs/dbraw/zinc/62/40/75/673624075.db2.gz BRAVCIKYEKTXPF-GFCCVEGCSA-N 1 2 353.451 2.494 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@H](c3cccnc3)C2)nc1 ZINC000602854103 673912441 /nfs/dbraw/zinc/91/24/41/673912441.db2.gz MWFRVMLSXPDVAA-KRWDZBQOSA-N 1 2 356.451 2.002 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@H](c3cccnc3)C2)nc1 ZINC000602854103 673912443 /nfs/dbraw/zinc/91/24/43/673912443.db2.gz MWFRVMLSXPDVAA-KRWDZBQOSA-N 1 2 356.451 2.002 20 30 FEEDLO N#Cc1cc(N2CC[NH+](Cc3cccnc3)CC2)ncc1Br ZINC000603274830 673921149 /nfs/dbraw/zinc/92/11/49/673921149.db2.gz WBWNWNZGXKUUIP-UHFFFAOYSA-N 1 2 358.243 2.433 20 30 FEEDLO N#C[C@]1(F)CCN(C(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)C1 ZINC000615610465 676221543 /nfs/dbraw/zinc/22/15/43/676221543.db2.gz LZHREUWJPBCDKU-QGZVFWFLSA-N 1 2 350.825 2.345 20 30 FEEDLO N#C[C@]1(F)CCN(C(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)C1 ZINC000615610465 676221546 /nfs/dbraw/zinc/22/15/46/676221546.db2.gz LZHREUWJPBCDKU-QGZVFWFLSA-N 1 2 350.825 2.345 20 30 FEEDLO C=CC[N@H+](CC[C@H]1Sc2ccccc2NC1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000660069177 678272654 /nfs/dbraw/zinc/27/26/54/678272654.db2.gz DLQORAONSUSLRG-CZUORRHYSA-N 1 2 366.508 2.165 20 30 FEEDLO C=CC[N@@H+](CC[C@H]1Sc2ccccc2NC1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000660069177 678272658 /nfs/dbraw/zinc/27/26/58/678272658.db2.gz DLQORAONSUSLRG-CZUORRHYSA-N 1 2 366.508 2.165 20 30 FEEDLO C#CCNC(=O)C1CC[NH+](CC(=O)Nc2c(C)cc(C)cc2Cl)CC1 ZINC000747823209 679905306 /nfs/dbraw/zinc/90/53/06/679905306.db2.gz PHNGHPATCFSOCB-UHFFFAOYSA-N 1 2 361.873 2.357 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1nc(C(C)(C)NC(=O)OC(C)(C)C)no1 ZINC000831679087 680022601 /nfs/dbraw/zinc/02/26/01/680022601.db2.gz NVRNKCPIRSTGLK-NEPJUHHUSA-N 1 2 352.435 2.263 20 30 FEEDLO C#Cc1cccc(N(Cc2cccs2)C[C@@H](O)C[NH+]2CCOCC2)c1 ZINC000749224226 680031165 /nfs/dbraw/zinc/03/11/65/680031165.db2.gz ZCHAGNPCTFACAY-IBGZPJMESA-N 1 2 356.491 2.429 20 30 FEEDLO C=C(Br)C[N@@H+]1CC[C@@]2(NC(=O)[C@H]3OCC[C@H]3C)CCC[C@H]12 ZINC000992212644 680097096 /nfs/dbraw/zinc/09/70/96/680097096.db2.gz XQWVCHTZBQMQJO-DSRCVFDASA-N 1 2 357.292 2.433 20 30 FEEDLO C=C(Br)C[N@H+]1CC[C@@]2(NC(=O)[C@H]3OCC[C@H]3C)CCC[C@H]12 ZINC000992212644 680097098 /nfs/dbraw/zinc/09/70/98/680097098.db2.gz XQWVCHTZBQMQJO-DSRCVFDASA-N 1 2 357.292 2.433 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H]([N@H+](C)Cc2snnc2C)C1 ZINC001027415439 680356343 /nfs/dbraw/zinc/35/63/43/680356343.db2.gz LHFBFVDRJNSYHU-OAGGEKHMSA-N 1 2 364.515 2.251 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H]([N@@H+](C)Cc2snnc2C)C1 ZINC001027415439 680356347 /nfs/dbraw/zinc/35/63/47/680356347.db2.gz LHFBFVDRJNSYHU-OAGGEKHMSA-N 1 2 364.515 2.251 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2nnc(CCC)s2)C1 ZINC001028808653 680383033 /nfs/dbraw/zinc/38/30/33/680383033.db2.gz CLZPOGFFQNCNAQ-KFWWJZLASA-N 1 2 364.515 2.020 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[N@H+](Cc2nnc(CCC)s2)C1 ZINC001028808653 680383036 /nfs/dbraw/zinc/38/30/36/680383036.db2.gz CLZPOGFFQNCNAQ-KFWWJZLASA-N 1 2 364.515 2.020 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1=CC[N@H+](Cc2snnc2C)CC1 ZINC001000696741 680437340 /nfs/dbraw/zinc/43/73/40/680437340.db2.gz SQBMCVDARJHTDL-CVEARBPZSA-N 1 2 362.499 2.076 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1=CC[N@@H+](Cc2snnc2C)CC1 ZINC001000696741 680437341 /nfs/dbraw/zinc/43/73/41/680437341.db2.gz SQBMCVDARJHTDL-CVEARBPZSA-N 1 2 362.499 2.076 20 30 FEEDLO N#Cc1nc(N[C@@H]2CCCC[C@H]2NC(=O)Cc2[nH]cc[nH+]2)sc1Cl ZINC001045574489 680635360 /nfs/dbraw/zinc/63/53/60/680635360.db2.gz CQDVKZGGLMLOQE-NXEZZACHSA-N 1 2 364.862 2.473 20 30 FEEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001046957887 680654555 /nfs/dbraw/zinc/65/45/55/680654555.db2.gz KAIVZABMXPNMCW-JEWKUQAESA-N 1 2 360.832 2.236 20 30 FEEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001046957887 680654559 /nfs/dbraw/zinc/65/45/59/680654559.db2.gz KAIVZABMXPNMCW-JEWKUQAESA-N 1 2 360.832 2.236 20 30 FEEDLO C#CCCC[NH+]1CCN(S(=O)(=O)c2cc(Cl)ccc2OC)CC1 ZINC000766904543 680892378 /nfs/dbraw/zinc/89/23/78/680892378.db2.gz HCGRAAPRLMZDBE-UHFFFAOYSA-N 1 2 356.875 2.068 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2Cc1nnc(C)s1 ZINC001049733627 681038111 /nfs/dbraw/zinc/03/81/11/681038111.db2.gz ZDLGWFPLEZYLRB-FPCVCCKLSA-N 1 2 362.499 2.003 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2Cc1nnc(C)s1 ZINC001049733627 681038114 /nfs/dbraw/zinc/03/81/14/681038114.db2.gz ZDLGWFPLEZYLRB-FPCVCCKLSA-N 1 2 362.499 2.003 20 30 FEEDLO C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1CNc1nc(Cl)c(C#N)s1 ZINC001054439081 681109518 /nfs/dbraw/zinc/10/95/18/681109518.db2.gz MQATVRWEWIHQMJ-NXEZZACHSA-N 1 2 364.862 2.140 20 30 FEEDLO N#Cc1cccc(C[NH+]2CCC(S(=O)(=O)N3CCCCC3)CC2)c1F ZINC000933089438 681361185 /nfs/dbraw/zinc/36/11/85/681361185.db2.gz KIGLTKSLLAKKEM-UHFFFAOYSA-N 1 2 365.474 2.477 20 30 FEEDLO COc1ccc(C=NNCCCn2cc[nH+]c2)c(Br)c1O ZINC000848417900 681537368 /nfs/dbraw/zinc/53/73/68/681537368.db2.gz GZVLHDWMALFVBI-UHFFFAOYSA-N 1 2 353.220 2.374 20 30 FEEDLO C=CC1(CC(=O)N2CC[C@H](OCC[NH+]3CCOCC3)C2)CCCCC1 ZINC000934722367 681615889 /nfs/dbraw/zinc/61/58/89/681615889.db2.gz RIASXBMBIZWJRR-SFHVURJKSA-N 1 2 350.503 2.463 20 30 FEEDLO Cc1cc(NC(=O)CO[NH+]=C(N)c2ccc(Br)cc2)no1 ZINC000782949123 682097875 /nfs/dbraw/zinc/09/78/75/682097875.db2.gz PSMRNLGOTQDYIS-UHFFFAOYSA-N 1 2 353.176 2.021 20 30 FEEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](N3CCOC3=O)C2)c(Br)c1 ZINC000852436799 682278236 /nfs/dbraw/zinc/27/82/36/682278236.db2.gz NPWJQPINLSFWKA-ZDUSSCGKSA-N 1 2 350.216 2.347 20 30 FEEDLO N#Cc1ccc(C[N@H+]2CC[C@H](N3CCOC3=O)C2)c(Br)c1 ZINC000852436799 682278239 /nfs/dbraw/zinc/27/82/39/682278239.db2.gz NPWJQPINLSFWKA-ZDUSSCGKSA-N 1 2 350.216 2.347 20 30 FEEDLO C#CCCCOc1ccc[nH+]c1NC[C@@H]1CCC[C@@H]1NS(C)(=O)=O ZINC000853442957 682414074 /nfs/dbraw/zinc/41/40/74/682414074.db2.gz PRDOERMCTSYYGG-GJZGRUSLSA-N 1 2 351.472 2.004 20 30 FEEDLO CC[C@H](NC(=O)[C@@H](C#N)C(=O)C[N@H+](C)[C@H]1CCSC1)c1ccccc1 ZINC000787032006 682431437 /nfs/dbraw/zinc/43/14/37/682431437.db2.gz OERHUFBXGAUPQZ-ULQDDVLXSA-N 1 2 359.495 2.400 20 30 FEEDLO CC[C@H](NC(=O)[C@@H](C#N)C(=O)C[N@@H+](C)[C@H]1CCSC1)c1ccccc1 ZINC000787032006 682431439 /nfs/dbraw/zinc/43/14/39/682431439.db2.gz OERHUFBXGAUPQZ-ULQDDVLXSA-N 1 2 359.495 2.400 20 30 FEEDLO C#CCNC(=S)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC000787196631 682440588 /nfs/dbraw/zinc/44/05/88/682440588.db2.gz VWETVQODKDIGBI-UHFFFAOYSA-N 1 2 367.316 2.121 20 30 FEEDLO C#CCC[N@@H+](CCOC)CN1C(=O)N[C@@](C)(c2cccc(Cl)c2)C1=O ZINC000853620332 682446381 /nfs/dbraw/zinc/44/63/81/682446381.db2.gz YKRDJSUTZAADOJ-SFHVURJKSA-N 1 2 363.845 2.036 20 30 FEEDLO C#CCC[N@H+](CCOC)CN1C(=O)N[C@@](C)(c2cccc(Cl)c2)C1=O ZINC000853620332 682446383 /nfs/dbraw/zinc/44/63/83/682446383.db2.gz YKRDJSUTZAADOJ-SFHVURJKSA-N 1 2 363.845 2.036 20 30 FEEDLO C#CCOCCNC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000797516234 683256115 /nfs/dbraw/zinc/25/61/15/683256115.db2.gz FBUQBWZOIIDWCQ-UHFFFAOYSA-N 1 2 360.845 2.398 20 30 FEEDLO C[NH+](C)Cc1csc(CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)n1 ZINC000927769863 683309422 /nfs/dbraw/zinc/30/94/22/683309422.db2.gz WLJWBFOSPUQSLX-QGZVFWFLSA-N 1 2 366.487 2.083 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)c(Cl)c1 ZINC000921321678 683422941 /nfs/dbraw/zinc/42/29/41/683422941.db2.gz ILBGJEOIGDGOQK-UONOGXRCSA-N 1 2 371.915 2.070 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)N[C@H]2CCC[N@H+]3CCSC[C@H]23)c(Cl)c1 ZINC000921321678 683422944 /nfs/dbraw/zinc/42/29/44/683422944.db2.gz ILBGJEOIGDGOQK-UONOGXRCSA-N 1 2 371.915 2.070 20 30 FEEDLO C=C[C@H](CO)[NH2+]Cc1nc(Br)c(Br)n1CC ZINC000922263949 683689597 /nfs/dbraw/zinc/68/95/97/683689597.db2.gz LFBUWYJBYHCBMP-SSDOTTSWSA-N 1 2 353.058 2.065 20 30 FEEDLO C#CC1(O)CC[NH+](CC(=O)Nc2ccc(Br)cc2C)CC1 ZINC000931146986 683841925 /nfs/dbraw/zinc/84/19/25/683841925.db2.gz UBJCLULROBWIJP-UHFFFAOYSA-N 1 2 351.244 2.156 20 30 FEEDLO C#CC1(O)CC[NH+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)CC1 ZINC000931148002 683841966 /nfs/dbraw/zinc/84/19/66/683841966.db2.gz NWRQAKSGGSGCEX-OAHLLOKOSA-N 1 2 357.479 2.337 20 30 FEEDLO C#C[C@@H](NC(=O)N[C@H]1Cc2c[nH+]cn2C1)c1ccc(Br)cc1 ZINC000875724622 686071228 /nfs/dbraw/zinc/07/12/28/686071228.db2.gz FYPKLHQHUXDVGN-DZGCQCFKSA-N 1 2 359.227 2.244 20 30 FEEDLO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]Cc2cc(C#N)cnc2Cl)c1 ZINC000877003873 686308004 /nfs/dbraw/zinc/30/80/04/686308004.db2.gz ZTULEVXYTVOSPB-LLVKDONJSA-N 1 2 364.858 2.366 20 30 FEEDLO C=CC[C@H](C(=O)OC)[N@@H+]1CCCN(Cc2csc([C@H](C)OC)n2)CC1 ZINC000878178211 686535651 /nfs/dbraw/zinc/53/56/51/686535651.db2.gz KNZIQEWNWRTSOK-GOEBONIOSA-N 1 2 367.515 2.476 20 30 FEEDLO C=CC[C@H](C(=O)OC)[N@H+]1CCCN(Cc2csc([C@H](C)OC)n2)CC1 ZINC000878178211 686535657 /nfs/dbraw/zinc/53/56/57/686535657.db2.gz KNZIQEWNWRTSOK-GOEBONIOSA-N 1 2 367.515 2.476 20 30 FEEDLO C#CCC1(O)CC[NH+]([C@H]2CCN(c3ccc(Cl)cc3F)C2=O)CC1 ZINC000880482272 687052977 /nfs/dbraw/zinc/05/29/77/687052977.db2.gz CSDATWVEEAWACE-INIZCTEOSA-N 1 2 350.821 2.435 20 30 FEEDLO C[N@@H+]1CCc2c(cccc2S(=O)(=O)NCc2cc(C#N)ccc2F)C1 ZINC000881945326 687267194 /nfs/dbraw/zinc/26/71/94/687267194.db2.gz KWUDIMPYNKAIJG-UHFFFAOYSA-N 1 2 359.426 2.164 20 30 FEEDLO C[N@H+]1CCc2c(cccc2S(=O)(=O)NCc2cc(C#N)ccc2F)C1 ZINC000881945326 687267196 /nfs/dbraw/zinc/26/71/96/687267196.db2.gz KWUDIMPYNKAIJG-UHFFFAOYSA-N 1 2 359.426 2.164 20 30 FEEDLO CSc1ccc(CNC(=O)NCC(C)(C)[NH+]2CCOCC2)cc1C#N ZINC000884009653 687773259 /nfs/dbraw/zinc/77/32/59/687773259.db2.gz CLEXKKFZRUONPH-UHFFFAOYSA-N 1 2 362.499 2.190 20 30 FEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1C[C@H](c2cccc(Cl)c2)OC[C@H]1C ZINC000884325644 687848857 /nfs/dbraw/zinc/84/88/57/687848857.db2.gz WSDUPLUJJOZAQW-UHOFOFEASA-N 1 2 366.845 2.075 20 30 FEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H](C)Cc1ccccc1C(F)(F)F ZINC000884332699 687850812 /nfs/dbraw/zinc/85/08/12/687850812.db2.gz TWDGNHPUYKJVOH-RISCZKNCSA-N 1 2 358.360 2.199 20 30 FEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1Cc2ccc(C)c(Br)c2C1 ZINC000884417897 687867491 /nfs/dbraw/zinc/86/74/91/687867491.db2.gz UEZYXLDGXARKLZ-ZDUSSCGKSA-N 1 2 367.243 2.046 20 30 FEEDLO Cn1cc[nH+]c1[C@@H]1CCCN(S(=O)(=O)c2ccc(CCC#N)cc2)C1 ZINC000885145635 688023097 /nfs/dbraw/zinc/02/30/97/688023097.db2.gz ZWXFNDLMOUGIFM-MRXNPFEDSA-N 1 2 358.467 2.445 20 30 FEEDLO N#Cc1sccc1N1CC[NH+]([C@@H]2CCC3(C[C@H]2F)OCCO3)CC1 ZINC000895321163 689695944 /nfs/dbraw/zinc/69/59/44/689695944.db2.gz SSNNOKIBPGHVMV-ZIAGYGMSSA-N 1 2 351.447 2.375 20 30 FEEDLO CN(C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)c1ccc(C#N)c(Cl)c1 ZINC000906090581 691230823 /nfs/dbraw/zinc/23/08/23/691230823.db2.gz TUSYRHOYQKUMDX-WBVHZDCISA-N 1 2 363.845 2.054 20 30 FEEDLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2ccc3c(C#N)c[nH]c3n2)CC1 ZINC001164918412 721816670 /nfs/dbraw/zinc/81/66/70/721816670.db2.gz WTCJOHIVAPOCRZ-UHFFFAOYSA-N 1 2 361.453 2.381 20 30 FEEDLO N#Cc1cc(C(F)(F)N2CC[NH+](C[C@@H]3CCCO3)CC2)cnc1Cl ZINC001165036957 721910667 /nfs/dbraw/zinc/91/06/67/721910667.db2.gz DZZROPIZWHPLES-AWEZNQCLSA-N 1 2 356.804 2.453 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ccc(N)c([N+](=O)[O-])c3)CC2)cc1 ZINC000017843264 539643773 /nfs/dbraw/zinc/64/37/73/539643773.db2.gz ZQSGKGDYVQAZRS-UHFFFAOYSA-N 1 2 365.393 2.007 20 30 FEEDLO Cn1cc[nH+]c1[C@H](NS(=O)(=O)c1cccc(C#N)c1)c1ccccc1 ZINC000017521602 539642252 /nfs/dbraw/zinc/64/22/52/539642252.db2.gz MIKOXEWRTUNARJ-QGZVFWFLSA-N 1 2 352.419 2.360 20 30 FEEDLO CCc1ccccc1NC(=O)C[N@H+](C)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000017740730 539643346 /nfs/dbraw/zinc/64/33/46/539643346.db2.gz RGZNORWHYWLEFL-GOSISDBHSA-N 1 2 367.449 2.431 20 30 FEEDLO CCc1ccccc1NC(=O)C[N@@H+](C)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000017740730 539643351 /nfs/dbraw/zinc/64/33/51/539643351.db2.gz RGZNORWHYWLEFL-GOSISDBHSA-N 1 2 367.449 2.431 20 30 FEEDLO C[C@H](CNS(=O)(=O)c1ccccc1C#N)[N@@H+]1CCc2sccc2C1 ZINC000026839735 539795043 /nfs/dbraw/zinc/79/50/43/539795043.db2.gz RAWFDPUVWSZKJX-CYBMUJFWSA-N 1 2 361.492 2.345 20 30 FEEDLO C[C@H](CNS(=O)(=O)c1ccccc1C#N)[N@H+]1CCc2sccc2C1 ZINC000026839735 539795048 /nfs/dbraw/zinc/79/50/48/539795048.db2.gz RAWFDPUVWSZKJX-CYBMUJFWSA-N 1 2 361.492 2.345 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCC(NC(=O)c2ccc(F)cc2)CC1 ZINC000027438058 539807097 /nfs/dbraw/zinc/80/70/97/539807097.db2.gz XLRRZGWONAFDPE-HXUWFJFHSA-N 1 2 374.460 2.074 20 30 FEEDLO C[C@H]1C[NH+](Cc2ccc(C(=O)Nc3nc(C#N)c(C#N)[nH]3)cc2)C[C@H](C)O1 ZINC000029711660 539862287 /nfs/dbraw/zinc/86/22/87/539862287.db2.gz XJIPLNSKUNFVIB-STQMWFEESA-N 1 2 364.409 2.015 20 30 FEEDLO COC(=O)c1cc(C[NH+]2CCN(c3oc(C4CC4)nc3C#N)CC2)oc1C ZINC000029225473 539847288 /nfs/dbraw/zinc/84/72/88/539847288.db2.gz OIWNXRLQHCQXPU-UHFFFAOYSA-N 1 2 370.409 2.434 20 30 FEEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000029253659 539848645 /nfs/dbraw/zinc/84/86/45/539848645.db2.gz LREFCYMMWLYEMV-HNNXBMFYSA-N 1 2 369.469 2.135 20 30 FEEDLO N#Cc1ccc(NC(=O)C[NH+]2CCC(NC(=O)C3CC3)CC2)cc1Cl ZINC000030279281 539877604 /nfs/dbraw/zinc/87/76/04/539877604.db2.gz HENJRKHHOSPWTE-UHFFFAOYSA-N 1 2 360.845 2.141 20 30 FEEDLO COc1cccc(N2CC[NH+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC2)c1 ZINC000030963750 539895146 /nfs/dbraw/zinc/89/51/46/539895146.db2.gz WJZOJAKGFVRFOD-UZLBHIALSA-N 1 2 358.486 2.260 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000032831970 539955241 /nfs/dbraw/zinc/95/52/41/539955241.db2.gz UZHXQOGJKJQDTJ-HNAYVOBHSA-N 1 2 373.457 2.160 20 30 FEEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN(Cc2cn3ccccc3n2)CC1 ZINC000042537867 540066048 /nfs/dbraw/zinc/06/60/48/540066048.db2.gz SAWCZEFSBGSWMB-SFHVURJKSA-N 1 2 367.497 2.041 20 30 FEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN(Cc2cn3ccccc3n2)CC1 ZINC000042537870 540066182 /nfs/dbraw/zinc/06/61/82/540066182.db2.gz SAWCZEFSBGSWMB-GOSISDBHSA-N 1 2 367.497 2.041 20 30 FEEDLO Cc1[nH]ncc1CCCNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000045539355 540216709 /nfs/dbraw/zinc/21/67/09/540216709.db2.gz BSQVUZABEKPOPB-UHFFFAOYSA-N 1 2 368.485 2.296 20 30 FEEDLO CCOC(=O)c1ccc(N2CC[NH+](Cc3ccccc3C#N)CC2)nc1 ZINC000046513734 540260088 /nfs/dbraw/zinc/26/00/88/540260088.db2.gz CKAGBGSNSRJGRY-UHFFFAOYSA-N 1 2 350.422 2.452 20 30 FEEDLO C[C@H]1CN(c2ccc(CNC(=O)c3cccc(C#N)c3)c[nH+]2)C[C@H](C)O1 ZINC000046792045 540270874 /nfs/dbraw/zinc/27/08/74/540270874.db2.gz UDXAEPZZXAACHT-GJZGRUSLSA-N 1 2 350.422 2.497 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(c3ncc(C(N)=O)cc3Cl)CC2)cc1 ZINC000047087666 540288456 /nfs/dbraw/zinc/28/84/56/540288456.db2.gz AINQFABDHHDBGW-UHFFFAOYSA-N 1 2 355.829 2.028 20 30 FEEDLO CCC[N@H+](CC(=O)Nc1ccccc1OC)CC(=O)N(CC)C[C@H](C)C#N ZINC000051474910 540435917 /nfs/dbraw/zinc/43/59/17/540435917.db2.gz QXXMHFGNDAJXIZ-MRXNPFEDSA-N 1 2 374.485 2.354 20 30 FEEDLO CCC[N@@H+](CC(=O)Nc1ccccc1OC)CC(=O)N(CC)C[C@H](C)C#N ZINC000051474910 540435919 /nfs/dbraw/zinc/43/59/19/540435919.db2.gz QXXMHFGNDAJXIZ-MRXNPFEDSA-N 1 2 374.485 2.354 20 30 FEEDLO Cn1c2nnc(C[N@H+](C)Cc3ccc(C#N)cc3)n2c2ccsc2c1=O ZINC000052580712 540474367 /nfs/dbraw/zinc/47/43/67/540474367.db2.gz XXCCWSUWBWOWII-UHFFFAOYSA-N 1 2 364.434 2.146 20 30 FEEDLO Cn1c2nnc(C[N@@H+](C)Cc3ccc(C#N)cc3)n2c2ccsc2c1=O ZINC000052580712 540474369 /nfs/dbraw/zinc/47/43/69/540474369.db2.gz XXCCWSUWBWOWII-UHFFFAOYSA-N 1 2 364.434 2.146 20 30 FEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H]1C(=O)Nc1ccc(OC)cc1 ZINC000052715522 540485016 /nfs/dbraw/zinc/48/50/16/540485016.db2.gz NPVCMKSXCCDHQB-CRAIPNDOSA-N 1 2 372.469 2.106 20 30 FEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H]1C(=O)Nc1ccc(OC)cc1 ZINC000052715522 540485020 /nfs/dbraw/zinc/48/50/20/540485020.db2.gz NPVCMKSXCCDHQB-CRAIPNDOSA-N 1 2 372.469 2.106 20 30 FEEDLO Cc1ccc(NC(=O)C[N@H+](C)C[C@H](O)COc2ccc(CC#N)cc2)cc1 ZINC000053944151 540560328 /nfs/dbraw/zinc/56/03/28/540560328.db2.gz XJPBEFIYFRFDEP-IBGZPJMESA-N 1 2 367.449 2.371 20 30 FEEDLO Cc1ccc(NC(=O)C[N@@H+](C)C[C@H](O)COc2ccc(CC#N)cc2)cc1 ZINC000053944151 540560332 /nfs/dbraw/zinc/56/03/32/540560332.db2.gz XJPBEFIYFRFDEP-IBGZPJMESA-N 1 2 367.449 2.371 20 30 FEEDLO N#Cc1ccc(CN2CC[NH+](CCc3nc4ccccc4c(=O)[nH]3)CC2)cc1 ZINC000054153025 540572000 /nfs/dbraw/zinc/57/20/00/540572000.db2.gz IZXCNDZKKDHFBC-UHFFFAOYSA-N 1 2 373.460 2.155 20 30 FEEDLO COc1ncccc1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000057727171 540811908 /nfs/dbraw/zinc/81/19/08/540811908.db2.gz OVRVVFDIHIXKEG-UHFFFAOYSA-N 1 2 351.410 2.312 20 30 FEEDLO Cc1ccccc1CNC(=O)[C@@H](C)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000060480881 541113716 /nfs/dbraw/zinc/11/37/16/541113716.db2.gz XTWYQFHADRAMTB-QGZVFWFLSA-N 1 2 363.465 2.089 20 30 FEEDLO C[C@@H](C(=O)NC1CCC(C)CC1)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000060480774 541114072 /nfs/dbraw/zinc/11/40/72/541114072.db2.gz FSMYHOUDWBZDAB-PQUAAJSLSA-N 1 2 355.486 2.159 20 30 FEEDLO Cc1cc(OCC(=O)N(CCC#N)CC[NH+]2CCOCC2)ccc1Cl ZINC000060634052 541119994 /nfs/dbraw/zinc/11/99/94/541119994.db2.gz NTEWGVLJWCILCG-UHFFFAOYSA-N 1 2 365.861 2.102 20 30 FEEDLO Cc1cc(C)n(Cc2cccc(C(N)=[NH+]OCC(=O)NC(C)(C)C)c2)n1 ZINC000063510216 541171653 /nfs/dbraw/zinc/17/16/53/541171653.db2.gz MJUMFQIXMVFEGX-UHFFFAOYSA-N 1 2 357.458 2.100 20 30 FEEDLO N#Cc1ccc(OCC[NH+]2CCN(C(=O)Cc3ccccc3F)CC2)cc1 ZINC000066868202 541384313 /nfs/dbraw/zinc/38/43/13/541384313.db2.gz KIIXBSHCMKVQTC-UHFFFAOYSA-N 1 2 367.424 2.463 20 30 FEEDLO COc1cc(C#N)ccc1OCC(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000068571444 541610812 /nfs/dbraw/zinc/61/08/12/541610812.db2.gz HTDMXAUJUUTLHB-UHFFFAOYSA-N 1 2 350.378 2.218 20 30 FEEDLO N#CCCCCS(=O)(=O)N1CCC[N@@H+](Cc2ccccc2F)CC1 ZINC000068907949 541640221 /nfs/dbraw/zinc/64/02/21/541640221.db2.gz RBGVKAVWBZQTMA-UHFFFAOYSA-N 1 2 353.463 2.357 20 30 FEEDLO N#CCCCCS(=O)(=O)N1CCC[N@H+](Cc2ccccc2F)CC1 ZINC000068907949 541640224 /nfs/dbraw/zinc/64/02/24/541640224.db2.gz RBGVKAVWBZQTMA-UHFFFAOYSA-N 1 2 353.463 2.357 20 30 FEEDLO CC(C)CCC[C@@H](C)NC(=O)C[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000073108585 541919620 /nfs/dbraw/zinc/91/96/20/541919620.db2.gz CKKSDJRBPSXJQF-QGZVFWFLSA-N 1 2 357.502 2.406 20 30 FEEDLO COc1cc(C#N)ccc1OCC[N@H+](C)CC(=O)Nc1cc(C)ccn1 ZINC000077276820 542360430 /nfs/dbraw/zinc/36/04/30/542360430.db2.gz GYDUJQPZHUHPGV-UHFFFAOYSA-N 1 2 354.410 2.220 20 30 FEEDLO COc1cc(C#N)ccc1OCC[N@@H+](C)CC(=O)Nc1cc(C)ccn1 ZINC000077276820 542360431 /nfs/dbraw/zinc/36/04/31/542360431.db2.gz GYDUJQPZHUHPGV-UHFFFAOYSA-N 1 2 354.410 2.220 20 30 FEEDLO C[NH+]1CCN(C[C@@H]2CCCN(C(=O)/C=C/c3ccccc3C#N)C2)CC1 ZINC000077452798 542384115 /nfs/dbraw/zinc/38/41/15/542384115.db2.gz LERWITFSEXMXBD-BLGFXRMMSA-N 1 2 352.482 2.057 20 30 FEEDLO N#Cc1ccnc(SCC(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000077907335 542431103 /nfs/dbraw/zinc/43/11/03/542431103.db2.gz PHYFMYUZLPQVID-UHFFFAOYSA-N 1 2 352.463 2.390 20 30 FEEDLO C[C@@H](Sc1cc(C#N)ccn1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000077908653 542431442 /nfs/dbraw/zinc/43/14/42/542431442.db2.gz MKJLDVUNCWRTOJ-CQSZACIVSA-N 1 2 353.451 2.178 20 30 FEEDLO CCc1ccc2c(CN(CCC#N)CC[NH+]3CCOCC3)cc(=O)oc2c1 ZINC000078719855 542477409 /nfs/dbraw/zinc/47/74/09/542477409.db2.gz HNLFMWLKCYDTFR-UHFFFAOYSA-N 1 2 369.465 2.403 20 30 FEEDLO CCN(CCC#N)C(=O)c1ccc(S(=O)(=O)Nc2cc[nH+]cc2)cc1 ZINC000084408532 542713621 /nfs/dbraw/zinc/71/36/21/542713621.db2.gz IWDZILIGRJPRQG-UHFFFAOYSA-N 1 2 358.423 2.258 20 30 FEEDLO N#CCOc1cccc(CC(=O)NC2CCN(c3cccc[nH+]3)CC2)c1 ZINC000089747048 542769651 /nfs/dbraw/zinc/76/96/51/542769651.db2.gz MFESNIXKOKUZHV-UHFFFAOYSA-N 1 2 350.422 2.312 20 30 FEEDLO CCOc1cccc(N2CC[NH+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC2)n1 ZINC000106873568 543252104 /nfs/dbraw/zinc/25/21/04/543252104.db2.gz ALXWAOLULZJRQD-UZLBHIALSA-N 1 2 373.501 2.045 20 30 FEEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCCN(C(=O)c2cccs2)CC1 ZINC000112352293 543442504 /nfs/dbraw/zinc/44/25/04/543442504.db2.gz WCKZNGHMCBEUAQ-INIZCTEOSA-N 1 2 361.511 2.485 20 30 FEEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCCN(C(=O)c2cccs2)CC1 ZINC000112352293 543442507 /nfs/dbraw/zinc/44/25/07/543442507.db2.gz WCKZNGHMCBEUAQ-INIZCTEOSA-N 1 2 361.511 2.485 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@H]1C[C@@H]1c1ccc(F)cc1F ZINC000112887840 543466086 /nfs/dbraw/zinc/46/60/86/543466086.db2.gz DVQKPUYHQIHGOA-SJORKVTESA-N 1 2 363.408 2.143 20 30 FEEDLO CCCCc1noc(CO[NH+]=C(N)c2ccc(-n3nc(C)cc3C)nc2)n1 ZINC000114186108 543506817 /nfs/dbraw/zinc/50/68/17/543506817.db2.gz ZDGPVYCBMWNOEJ-UHFFFAOYSA-N 1 2 369.429 2.447 20 30 FEEDLO CCCCN(CCCC)C(=O)C[N@@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000247462809 549337520 /nfs/dbraw/zinc/33/75/20/549337520.db2.gz UNLWFFUVHCAEMT-QGZVFWFLSA-N 1 2 372.517 2.288 20 30 FEEDLO CCCCN(CCCC)C(=O)C[N@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000247462809 549337524 /nfs/dbraw/zinc/33/75/24/549337524.db2.gz UNLWFFUVHCAEMT-QGZVFWFLSA-N 1 2 372.517 2.288 20 30 FEEDLO COc1cc(F)ccc1N1CC[NH+](CC(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000115551457 543574092 /nfs/dbraw/zinc/57/40/92/543574092.db2.gz DSFAWWQDQPUNGE-IBGZPJMESA-N 1 2 362.449 2.011 20 30 FEEDLO C=CCNC(=O)C[NH+]1CCN(Cc2coc(-c3ccc(C)cc3)n2)CC1 ZINC000115588418 543576758 /nfs/dbraw/zinc/57/67/58/543576758.db2.gz WEMSRLDIJCRSLN-UHFFFAOYSA-N 1 2 354.454 2.070 20 30 FEEDLO C[N@H+](Cc1ccccc1)C1CN(S(=O)(=O)Cc2cccc(C#N)c2)C1 ZINC000551986277 674178784 /nfs/dbraw/zinc/17/87/84/674178784.db2.gz TYXMRCPYVLYNSL-UHFFFAOYSA-N 1 2 355.463 2.204 20 30 FEEDLO C[N@@H+](Cc1ccccc1)C1CN(S(=O)(=O)Cc2cccc(C#N)c2)C1 ZINC000551986277 674178786 /nfs/dbraw/zinc/17/87/86/674178786.db2.gz TYXMRCPYVLYNSL-UHFFFAOYSA-N 1 2 355.463 2.204 20 30 FEEDLO C[C@@H](C(=O)Nc1ccn(CCC#N)n1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000117854158 543640935 /nfs/dbraw/zinc/64/09/35/543640935.db2.gz ZETHMINZOQOKAJ-HNNXBMFYSA-N 1 2 370.432 2.085 20 30 FEEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCCN(C(=O)C2CC2)CC1 ZINC000121478835 543694812 /nfs/dbraw/zinc/69/48/12/543694812.db2.gz KXXAKYTYHDTQHZ-QGZVFWFLSA-N 1 2 368.481 2.266 20 30 FEEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCCN(C(=O)C2CC2)CC1 ZINC000121478835 543694815 /nfs/dbraw/zinc/69/48/15/543694815.db2.gz KXXAKYTYHDTQHZ-QGZVFWFLSA-N 1 2 368.481 2.266 20 30 FEEDLO O=C(C[NH+]1CCN(CC#Cc2ccc(F)cc2)CC1)NC1CCCCC1 ZINC000119054465 543663504 /nfs/dbraw/zinc/66/35/04/543663504.db2.gz UBWBJPKDKAUYAZ-UHFFFAOYSA-N 1 2 357.473 2.244 20 30 FEEDLO CO/N=C/c1ccc(C(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)cc1 ZINC000123150111 543745527 /nfs/dbraw/zinc/74/55/27/543745527.db2.gz ZEEVYPVSYZMDCU-DEDYPNTBSA-N 1 2 354.410 2.459 20 30 FEEDLO C=CCNC(=O)C[NH+]1CCN(Cc2ccc(C)cc2Br)CC1 ZINC000122239940 543705220 /nfs/dbraw/zinc/70/52/20/543705220.db2.gz ONRUOCBBYFILAI-UHFFFAOYSA-N 1 2 366.303 2.177 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)CNc1ccc([NH+]2CCCCC2)cc1C(N)=O ZINC000124124728 543801877 /nfs/dbraw/zinc/80/18/77/543801877.db2.gz RDMBZORJRBMMKS-HXUWFJFHSA-N 1 2 371.485 2.242 20 30 FEEDLO CC[N@H+](CC(=O)Nc1c(C)cccc1C)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000130175621 544141263 /nfs/dbraw/zinc/14/12/63/544141263.db2.gz TUMULNKGDFCIGY-FQEVSTJZSA-N 1 2 356.470 2.372 20 30 FEEDLO CC[N@@H+](CC(=O)Nc1c(C)cccc1C)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000130175621 544141265 /nfs/dbraw/zinc/14/12/65/544141265.db2.gz TUMULNKGDFCIGY-FQEVSTJZSA-N 1 2 356.470 2.372 20 30 FEEDLO C=C(C)COCCNC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1 ZINC000135000280 544330728 /nfs/dbraw/zinc/33/07/28/544330728.db2.gz ZMWNEXNCQTZVNZ-HZPDHXFCSA-N 1 2 362.474 2.087 20 30 FEEDLO COCC[N@H+](Cc1ccccc1C(C)(C)C#N)[C@@H]1CCS(=O)(=O)C1 ZINC000135123707 544335083 /nfs/dbraw/zinc/33/50/83/544335083.db2.gz QDCXLGMNLRKPDU-MRXNPFEDSA-N 1 2 350.484 2.123 20 30 FEEDLO COCC[N@@H+](Cc1ccccc1C(C)(C)C#N)[C@@H]1CCS(=O)(=O)C1 ZINC000135123707 544335085 /nfs/dbraw/zinc/33/50/85/544335085.db2.gz QDCXLGMNLRKPDU-MRXNPFEDSA-N 1 2 350.484 2.123 20 30 FEEDLO C=CCOc1cccc(NC(=O)C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000151461663 544543770 /nfs/dbraw/zinc/54/37/70/544543770.db2.gz BNNRPTAFYIFYAD-YJBOKZPZSA-N 1 2 368.437 2.496 20 30 FEEDLO Cc1cccc(S(=O)(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)c1C#N ZINC000151302726 544526216 /nfs/dbraw/zinc/52/62/16/544526216.db2.gz YJDOSEKDKZZFAA-OAHLLOKOSA-N 1 2 358.467 2.244 20 30 FEEDLO C[C@H]1COCC[N@@H+]1CCNc1c(C#N)cnc2c(F)c(F)c(F)cc21 ZINC000553033129 674234633 /nfs/dbraw/zinc/23/46/33/674234633.db2.gz QAPLZGITYFSFGM-JTQLQIEISA-N 1 2 350.344 2.078 20 30 FEEDLO C[C@H]1COCC[N@H+]1CCNc1c(C#N)cnc2c(F)c(F)c(F)cc21 ZINC000553033129 674234636 /nfs/dbraw/zinc/23/46/36/674234636.db2.gz QAPLZGITYFSFGM-JTQLQIEISA-N 1 2 350.344 2.078 20 30 FEEDLO COCCOc1ccc(C#N)cc1NC(=O)N(C)CCCn1cc[nH+]c1 ZINC000184616407 327875634 /nfs/dbraw/zinc/87/56/34/327875634.db2.gz WTHVRJLMHQXCNL-UHFFFAOYSA-N 1 2 357.414 2.334 20 30 FEEDLO C[C@H]1CN(c2ccc(CNC(=O)c3ccc(C#N)c(O)c3)c[nH+]2)C[C@H](C)O1 ZINC000190574442 328217295 /nfs/dbraw/zinc/21/72/95/328217295.db2.gz DBEFTLDSLFTPBT-KBPBESRZSA-N 1 2 366.421 2.202 20 30 FEEDLO CCc1nn(C)c(Cl)c1CN1CC[NH+](Cc2cc(C#N)n(C)c2)CC1 ZINC000191340602 328260939 /nfs/dbraw/zinc/26/09/39/328260939.db2.gz ZDTVTCADMWLNFE-UHFFFAOYSA-N 1 2 360.893 2.164 20 30 FEEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)C(=O)Nc1ccc(C#N)cc1 ZINC000192129309 328301441 /nfs/dbraw/zinc/30/14/41/328301441.db2.gz UIHQDGSYBDCAEG-UHFFFAOYSA-N 1 2 353.426 2.194 20 30 FEEDLO CC[N@H+](C[C@@H](O)C(F)(F)F)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192795099 328340166 /nfs/dbraw/zinc/34/01/66/328340166.db2.gz GCZAOXJVBZWNII-HUUCEWRRSA-N 1 2 355.360 2.299 20 30 FEEDLO CC[N@@H+](C[C@@H](O)C(F)(F)F)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192795099 328340168 /nfs/dbraw/zinc/34/01/68/328340168.db2.gz GCZAOXJVBZWNII-HUUCEWRRSA-N 1 2 355.360 2.299 20 30 FEEDLO N#Cc1cccc(CNC(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)c1 ZINC000048215486 324657731 /nfs/dbraw/zinc/65/77/31/324657731.db2.gz GUGNWQXYCPJSLS-FQEVSTJZSA-N 1 2 364.449 2.431 20 30 FEEDLO CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cc(C#N)ccc2C)c[nH+]1 ZINC000063826518 324868415 /nfs/dbraw/zinc/86/84/15/324868415.db2.gz APQSPJMBEFJWPD-UHFFFAOYSA-N 1 2 365.437 2.363 20 30 FEEDLO CC(C)C(=O)NC[C@@H]1CCC[N@@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000083170224 325213996 /nfs/dbraw/zinc/21/39/96/325213996.db2.gz WAAUJLUITPZVBJ-GOEBONIOSA-N 1 2 374.510 2.209 20 30 FEEDLO CC(C)C(=O)NC[C@@H]1CCC[N@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000083170224 325213999 /nfs/dbraw/zinc/21/39/99/325213999.db2.gz WAAUJLUITPZVBJ-GOEBONIOSA-N 1 2 374.510 2.209 20 30 FEEDLO N#Cc1csc(C(=O)N2CCN(Cc3cn4ccccc4[nH+]3)CC2)c1 ZINC000084180567 325229236 /nfs/dbraw/zinc/22/92/36/325229236.db2.gz UOTUZEQRUDYXLR-UHFFFAOYSA-N 1 2 351.435 2.225 20 30 FEEDLO Cc1ccc(CC(=O)N2CCN(Cc3c[nH+]c4ccc(C#N)cn34)CC2)cc1 ZINC000092937478 325429094 /nfs/dbraw/zinc/42/90/94/325429094.db2.gz ZGOVGKALNPUNBI-UHFFFAOYSA-N 1 2 373.460 2.401 20 30 FEEDLO Cc1[nH+]c2cc(C)ccn2c1CN1CCN(C(=O)c2ccc(C#N)cn2)CC1 ZINC000107435828 325628366 /nfs/dbraw/zinc/62/83/66/325628366.db2.gz JIOGGOIYBDUOKR-UHFFFAOYSA-N 1 2 374.448 2.176 20 30 FEEDLO COc1cc(C#N)ccc1C[NH+]1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000120470416 326261554 /nfs/dbraw/zinc/26/15/54/326261554.db2.gz GKYWMDYSTSETIJ-UHFFFAOYSA-N 1 2 364.449 2.323 20 30 FEEDLO COc1ccc(C#N)cc1C[NH2+][C@@H](c1nc(-c2nc[nH]n2)no1)C(C)C ZINC000120839561 326292654 /nfs/dbraw/zinc/29/26/54/326292654.db2.gz UQTSDTWLMBHMDS-CQSZACIVSA-N 1 2 353.386 2.222 20 30 FEEDLO COc1cc(C#N)ccc1OCC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000123922247 326444752 /nfs/dbraw/zinc/44/47/52/326444752.db2.gz ZYOPQHRNERPAEB-GDBMZVCRSA-N 1 2 354.410 2.252 20 30 FEEDLO N#Cc1ccc(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)cc1Cl ZINC000160255858 326959223 /nfs/dbraw/zinc/95/92/23/326959223.db2.gz JLWNTPXHSKPELF-QGZVFWFLSA-N 1 2 365.886 2.149 20 30 FEEDLO CC(C)(C)OC1CC[NH+]([C@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 ZINC000164736002 327073713 /nfs/dbraw/zinc/07/37/13/327073713.db2.gz GDVKFVNPOFJABC-KRWDZBQOSA-N 1 2 355.438 2.470 20 30 FEEDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)c3ccc(C#N)cn3)CC2)c1 ZINC000171604922 327147861 /nfs/dbraw/zinc/14/78/61/327147861.db2.gz FFSAITLGWKCVJM-OAHLLOKOSA-N 1 2 350.422 2.481 20 30 FEEDLO Cc1cc(C#N)ccc1S(=O)(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000172672088 327214168 /nfs/dbraw/zinc/21/41/68/327214168.db2.gz YKKMXDQPJSREFM-GJZGRUSLSA-N 1 2 365.499 2.033 20 30 FEEDLO N#Cc1c(NC(=O)C[N@H+]2CCC[C@H](CC(N)=O)C2)sc2c1CCCCC2 ZINC000175217427 327380508 /nfs/dbraw/zinc/38/05/08/327380508.db2.gz NWXVBMHIVJXIRF-CYBMUJFWSA-N 1 2 374.510 2.415 20 30 FEEDLO N#Cc1c(NC(=O)C[N@@H+]2CCC[C@H](CC(N)=O)C2)sc2c1CCCCC2 ZINC000175217427 327380509 /nfs/dbraw/zinc/38/05/09/327380509.db2.gz NWXVBMHIVJXIRF-CYBMUJFWSA-N 1 2 374.510 2.415 20 30 FEEDLO CCN(CC)C(=O)CCCC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000263752899 328959446 /nfs/dbraw/zinc/95/94/46/328959446.db2.gz SMCKTGGQTDCBMZ-UHFFFAOYSA-N 1 2 370.497 2.241 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)/C=C/c3cncc(F)c3)CC2)cc1 ZINC000264162770 328996406 /nfs/dbraw/zinc/99/64/06/328996406.db2.gz BMKAVCQYXOMQPQ-AATRIKPKSA-N 1 2 350.397 2.450 20 30 FEEDLO N#Cc1ccc(N2CCC[C@H]([NH+]3CCC(O)(C(F)(F)F)CC3)C2=O)cc1 ZINC000272479441 329784488 /nfs/dbraw/zinc/78/44/88/329784488.db2.gz LYDHKUDBRKXYNU-HNNXBMFYSA-N 1 2 367.371 2.443 20 30 FEEDLO C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(c2ccc(Cl)c(C#N)n2)CC1 ZINC000299686786 330198259 /nfs/dbraw/zinc/19/82/59/330198259.db2.gz XJSSJFXCTXCYSQ-CQSZACIVSA-N 1 2 361.877 2.130 20 30 FEEDLO N#Cc1cccc([C@H]2CN(C(=O)NCc3ccn4cc[nH+]c4c3)CCO2)c1 ZINC000367123182 330219653 /nfs/dbraw/zinc/21/96/53/330219653.db2.gz NNPPLWZNYKKJFC-GOSISDBHSA-N 1 2 361.405 2.489 20 30 FEEDLO Cn1nccc1CNC(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000328631535 527596280 /nfs/dbraw/zinc/59/62/80/527596280.db2.gz KOODADMEMYAMLH-JSGCOSHPSA-N 1 2 351.451 2.098 20 30 FEEDLO Cn1nccc1CNC(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000328631535 527596287 /nfs/dbraw/zinc/59/62/87/527596287.db2.gz KOODADMEMYAMLH-JSGCOSHPSA-N 1 2 351.451 2.098 20 30 FEEDLO CN(C)S(=O)(=O)c1ccc(OCC[N@H+](CC#N)C2CCCC2)cc1 ZINC000156667383 545645741 /nfs/dbraw/zinc/64/57/41/545645741.db2.gz WHXOJLHNGWLIGK-UHFFFAOYSA-N 1 2 351.472 2.084 20 30 FEEDLO CN(C)S(=O)(=O)c1ccc(OCC[N@@H+](CC#N)C2CCCC2)cc1 ZINC000156667383 545645747 /nfs/dbraw/zinc/64/57/47/545645747.db2.gz WHXOJLHNGWLIGK-UHFFFAOYSA-N 1 2 351.472 2.084 20 30 FEEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+](CCO)Cc1cccnc1 ZINC000157031392 545692075 /nfs/dbraw/zinc/69/20/75/545692075.db2.gz UXIRXIGVOSEITF-OHTSDLOESA-N 1 2 358.486 2.195 20 30 FEEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+](CCO)Cc1cccnc1 ZINC000157031392 545692084 /nfs/dbraw/zinc/69/20/84/545692084.db2.gz UXIRXIGVOSEITF-OHTSDLOESA-N 1 2 358.486 2.195 20 30 FEEDLO Cn1c(C[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)nc2cccc(Cl)c21 ZINC000478424324 561166576 /nfs/dbraw/zinc/16/65/76/561166576.db2.gz FSHLVVLCDRYULB-INIZCTEOSA-N 1 2 353.813 2.415 20 30 FEEDLO Cc1[nH+]c2ccccc2n1CCC(=O)N1CCN(c2cc(C#N)ccn2)CC1 ZINC000478620590 561171118 /nfs/dbraw/zinc/17/11/18/561171118.db2.gz AFALKIVKTNHXEO-UHFFFAOYSA-N 1 2 374.448 2.350 20 30 FEEDLO C=CCN(CCOC)C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000478942066 561178594 /nfs/dbraw/zinc/17/85/94/561178594.db2.gz HBYATGGQDOZOLG-UHFFFAOYSA-N 1 2 367.247 2.441 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000162596308 546140270 /nfs/dbraw/zinc/14/02/70/546140270.db2.gz MQKMXENNWZDBBR-NVXWUHKLSA-N 1 2 363.408 2.143 20 30 FEEDLO C=CCn1c(SC[C@@H](O)C[NH+]2CCOCC2)nnc1-c1ccccc1C ZINC000163575961 546145848 /nfs/dbraw/zinc/14/58/48/546145848.db2.gz DGSUCYHJBHRRPH-INIZCTEOSA-N 1 2 374.510 2.225 20 30 FEEDLO Cc1nc(CC(N)=[NH+]O[C@@H](C)C(=O)N[C@@H]2CCOc3ccccc32)cs1 ZINC000174113574 546292000 /nfs/dbraw/zinc/29/20/00/546292000.db2.gz HVACCWLVDWTECD-XHDPSFHLSA-N 1 2 374.466 2.311 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@@H]1C[C@]12CCCc1ccccc12 ZINC000174686369 546302359 /nfs/dbraw/zinc/30/23/59/546302359.db2.gz OFDBCODNHPOBAW-UNMCSNQZSA-N 1 2 367.493 2.355 20 30 FEEDLO CCC[C@H](C)NC(=O)[C@@H](C)O[NH+]=C(N)c1ccc(-n2nc(C)cc2C)nc1 ZINC000177482660 546627904 /nfs/dbraw/zinc/62/79/04/546627904.db2.gz CUCYMJWTIQBYSZ-SWLSCSKDSA-N 1 2 372.473 2.214 20 30 FEEDLO CC[C@H](C)NC(=O)[C@@H](C)O[NH+]=C(N)c1cccc(Cn2nc(C)cc2C)c1 ZINC000178156355 546747714 /nfs/dbraw/zinc/74/77/14/546747714.db2.gz LUJQOCRCFZNTQZ-XJKSGUPXSA-N 1 2 371.485 2.488 20 30 FEEDLO Cc1c(C#N)cccc1NC(=O)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000178450066 546795537 /nfs/dbraw/zinc/79/55/37/546795537.db2.gz TTZWKUCTJHWXGC-UHFFFAOYSA-N 1 2 359.389 2.307 20 30 FEEDLO C=CCSCCNC(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000179278971 546924356 /nfs/dbraw/zinc/92/43/56/546924356.db2.gz RHPBHKUSOKRGNM-UHFFFAOYSA-N 1 2 358.467 2.425 20 30 FEEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)/C(C)=C/c2cccc(Cl)c2)CC1 ZINC000179336159 546933735 /nfs/dbraw/zinc/93/37/35/546933735.db2.gz QXBJCNJIWOEPQU-DTQAZKPQSA-N 1 2 373.884 2.027 20 30 FEEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)/C(C)=C/c2cccc(Cl)c2)CC1 ZINC000179336159 546933739 /nfs/dbraw/zinc/93/37/39/546933739.db2.gz QXBJCNJIWOEPQU-DTQAZKPQSA-N 1 2 373.884 2.027 20 30 FEEDLO C[C@H](C#N)CNC(=O)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000180000262 547037278 /nfs/dbraw/zinc/03/72/78/547037278.db2.gz BOTZZALJFRNDGL-CYBMUJFWSA-N 1 2 351.410 2.101 20 30 FEEDLO Cc1nn(C)c(N2CC[NH+](Cc3ccc(N(C)C(C)C)nc3)CC2)c1C#N ZINC000483329098 561274255 /nfs/dbraw/zinc/27/42/55/561274255.db2.gz CREAJDAQAZNZOY-UHFFFAOYSA-N 1 2 367.501 2.162 20 30 FEEDLO Cc1sc(NC(=O)C[N@@H+]2CCOCC3(CCOCC3)C2)c(C#N)c1C ZINC000184089776 547768568 /nfs/dbraw/zinc/76/85/68/547768568.db2.gz SWMJTXYQAAKDMB-UHFFFAOYSA-N 1 2 363.483 2.304 20 30 FEEDLO Cc1sc(NC(=O)C[N@H+]2CCOCC3(CCOCC3)C2)c(C#N)c1C ZINC000184089776 547768573 /nfs/dbraw/zinc/76/85/73/547768573.db2.gz SWMJTXYQAAKDMB-UHFFFAOYSA-N 1 2 363.483 2.304 20 30 FEEDLO CC(C)CC[N@H+](CCC#N)CC(=O)N1CCC(C(=O)N(C)C(C)C)CC1 ZINC000484912899 561308512 /nfs/dbraw/zinc/30/85/12/561308512.db2.gz RMQFSTXPXLSGOX-UHFFFAOYSA-N 1 2 364.534 2.354 20 30 FEEDLO CC(C)CC[N@@H+](CCC#N)CC(=O)N1CCC(C(=O)N(C)C(C)C)CC1 ZINC000484912899 561308513 /nfs/dbraw/zinc/30/85/13/561308513.db2.gz RMQFSTXPXLSGOX-UHFFFAOYSA-N 1 2 364.534 2.354 20 30 FEEDLO C#CCOc1ccccc1NC(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000188047062 548270152 /nfs/dbraw/zinc/27/01/52/548270152.db2.gz LXSMSBILWYZHFD-UHFFFAOYSA-N 1 2 366.421 2.252 20 30 FEEDLO N#Cc1ccc(C(=O)N2CCN(Cc3cn4ccccc4[nH+]3)CC2)s1 ZINC000486622782 561352480 /nfs/dbraw/zinc/35/24/80/561352480.db2.gz KZOQXICNXSCZBA-UHFFFAOYSA-N 1 2 351.435 2.225 20 30 FEEDLO C=CCSCCNC(=O)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000194635271 548509138 /nfs/dbraw/zinc/50/91/38/548509138.db2.gz PUJQVYKYTCFNOT-CQSZACIVSA-N 1 2 355.529 2.340 20 30 FEEDLO C=CCc1ccc(OCC(=O)NCC[N@@H+]2CCOC(C)(C)C2)c(OC)c1 ZINC000194901614 548546869 /nfs/dbraw/zinc/54/68/69/548546869.db2.gz CQGVLYMGSKTCQK-UHFFFAOYSA-N 1 2 362.470 2.030 20 30 FEEDLO C=CCc1ccc(OCC(=O)NCC[N@H+]2CCOC(C)(C)C2)c(OC)c1 ZINC000194901614 548546874 /nfs/dbraw/zinc/54/68/74/548546874.db2.gz CQGVLYMGSKTCQK-UHFFFAOYSA-N 1 2 362.470 2.030 20 30 FEEDLO CCN(CC(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1)C[C@H](C)C#N ZINC000195434678 548640211 /nfs/dbraw/zinc/64/02/11/548640211.db2.gz SAWWVYMXSCXODL-MRXNPFEDSA-N 1 2 362.905 2.466 20 30 FEEDLO C=CCCC[C@@H](C)NC(=O)C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000487805660 561376224 /nfs/dbraw/zinc/37/62/24/561376224.db2.gz WIAOKZWDIWAUGN-SJORKVTESA-N 1 2 358.486 2.148 20 30 FEEDLO CC[C@@H]1C[N@@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CCN1CC(F)F ZINC000245791783 548994602 /nfs/dbraw/zinc/99/46/02/548994602.db2.gz XKOPGWBKKOWMGH-WBVHZDCISA-N 1 2 362.424 2.325 20 30 FEEDLO CC[C@@H]1C[N@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CCN1CC(F)F ZINC000245791783 548994606 /nfs/dbraw/zinc/99/46/06/548994606.db2.gz XKOPGWBKKOWMGH-WBVHZDCISA-N 1 2 362.424 2.325 20 30 FEEDLO C=CC[N@@H+](C[C@H](O)COc1c(C)ccc(C)c1C)[C@H]1CCS(=O)(=O)C1 ZINC000246227782 549084160 /nfs/dbraw/zinc/08/41/60/549084160.db2.gz FVKKUSNHWZCALC-ROUUACIJSA-N 1 2 367.511 2.027 20 30 FEEDLO C=CC[N@H+](C[C@H](O)COc1c(C)ccc(C)c1C)[C@H]1CCS(=O)(=O)C1 ZINC000246227782 549084164 /nfs/dbraw/zinc/08/41/64/549084164.db2.gz FVKKUSNHWZCALC-ROUUACIJSA-N 1 2 367.511 2.027 20 30 FEEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+](C)C[C@@H](O)COCc1ccccc1 ZINC000246512626 549150371 /nfs/dbraw/zinc/15/03/71/549150371.db2.gz QVHITMTULJVLNH-WOJBJXKFSA-N 1 2 368.433 2.282 20 30 FEEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@H](O)COCc1ccccc1 ZINC000246512626 549150374 /nfs/dbraw/zinc/15/03/74/549150374.db2.gz QVHITMTULJVLNH-WOJBJXKFSA-N 1 2 368.433 2.282 20 30 FEEDLO Cc1cc(F)ccc1[C@H]1C(=O)NCC[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000248636038 549473046 /nfs/dbraw/zinc/47/30/46/549473046.db2.gz UNCNFDIAVYWZTM-MOPGFXCFSA-N 1 2 353.397 2.212 20 30 FEEDLO Cc1cc(F)ccc1[C@H]1C(=O)NCC[N@@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000248636038 549473051 /nfs/dbraw/zinc/47/30/51/549473051.db2.gz UNCNFDIAVYWZTM-MOPGFXCFSA-N 1 2 353.397 2.212 20 30 FEEDLO C[N@@H+]1CC[C@H](NS(=O)(=O)CC2(C#N)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000248658292 549478258 /nfs/dbraw/zinc/47/82/58/549478258.db2.gz XWGGRYRHFDZCRU-LSDHHAIUSA-N 1 2 371.865 2.447 20 30 FEEDLO C[N@H+]1CC[C@H](NS(=O)(=O)CC2(C#N)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000248658292 549478261 /nfs/dbraw/zinc/47/82/61/549478261.db2.gz XWGGRYRHFDZCRU-LSDHHAIUSA-N 1 2 371.865 2.447 20 30 FEEDLO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000248876322 549520056 /nfs/dbraw/zinc/52/00/56/549520056.db2.gz VZFPIJTTXDCSEJ-UXLLHSPISA-N 1 2 352.394 2.382 20 30 FEEDLO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000248876322 549520059 /nfs/dbraw/zinc/52/00/59/549520059.db2.gz VZFPIJTTXDCSEJ-UXLLHSPISA-N 1 2 352.394 2.382 20 30 FEEDLO CN1c2ccccc2N(C)C1=C1C(=O)CN([C@@H]2C[C@@H]3OCCC[C@H]23)C1=[NH2+] ZINC000249959213 549635800 /nfs/dbraw/zinc/63/58/00/549635800.db2.gz WFNUFLRHFZRAJQ-VMGRFDJRSA-N 1 2 352.438 2.214 20 30 FEEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255886400 549708857 /nfs/dbraw/zinc/70/88/57/549708857.db2.gz LQGFBSXXMNNNON-ZDTYVGOBSA-N 1 2 364.409 2.480 20 30 FEEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255886400 549708861 /nfs/dbraw/zinc/70/88/61/549708861.db2.gz LQGFBSXXMNNNON-ZDTYVGOBSA-N 1 2 364.409 2.480 20 30 FEEDLO COCC[N@H+](CC(=O)c1cn(CCC#N)c2ccccc12)[C@@H]1CCOC1 ZINC000490042955 561425079 /nfs/dbraw/zinc/42/50/79/561425079.db2.gz PIPMROIIKJXWIO-MRXNPFEDSA-N 1 2 355.438 2.475 20 30 FEEDLO COCC[N@@H+](CC(=O)c1cn(CCC#N)c2ccccc12)[C@@H]1CCOC1 ZINC000490042955 561425080 /nfs/dbraw/zinc/42/50/80/561425080.db2.gz PIPMROIIKJXWIO-MRXNPFEDSA-N 1 2 355.438 2.475 20 30 FEEDLO Cc1cccc2[nH+]c(CNC(=O)C(=O)Nc3ccc(C#N)cc3Cl)cn21 ZINC000490494415 561434118 /nfs/dbraw/zinc/43/41/18/561434118.db2.gz CHOINVSGWWCXCO-UHFFFAOYSA-N 1 2 367.796 2.423 20 30 FEEDLO N#Cc1cccnc1N1CCN(Cc2[nH+]ccn2CC(F)(F)F)CC1 ZINC000264037438 549970784 /nfs/dbraw/zinc/97/07/84/549970784.db2.gz CMXRIUBUMQYYMV-UHFFFAOYSA-N 1 2 350.348 2.034 20 30 FEEDLO C[C@@](C#N)(NC(=O)C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1)C1CC1 ZINC000264086338 549977188 /nfs/dbraw/zinc/97/71/88/549977188.db2.gz FVIHGBCIMZOBTN-FQEVSTJZSA-N 1 2 352.438 2.210 20 30 FEEDLO C=C1CC[NH+](CC(=O)NCC(=O)Nc2ccccc2Br)CC1 ZINC000264516243 549997350 /nfs/dbraw/zinc/99/73/50/549997350.db2.gz YWTZWVJEXJQHBZ-UHFFFAOYSA-N 1 2 366.259 2.156 20 30 FEEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCc1[nH+]ccn1C ZINC000264515933 549997385 /nfs/dbraw/zinc/99/73/85/549997385.db2.gz APBVCJSDJSLUSA-GFCCVEGCSA-N 1 2 357.439 2.069 20 30 FEEDLO COc1ccc(C(N)=[NH+]O[C@@H](C)C(=O)N[C@H]2CCOc3ccccc32)cc1 ZINC000264949472 550004322 /nfs/dbraw/zinc/00/43/22/550004322.db2.gz KQTBLPYJUVCKDH-GUYCJALGSA-N 1 2 369.421 2.361 20 30 FEEDLO C#CCOc1ccccc1CNC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000265150830 550006645 /nfs/dbraw/zinc/00/66/45/550006645.db2.gz LBHQVGQASWLEOM-UHFFFAOYSA-N 1 2 364.449 2.121 20 30 FEEDLO COCCOC1CC[NH+](CC(=O)Nc2ccccc2SCC#N)CC1 ZINC000265366644 550009446 /nfs/dbraw/zinc/00/94/46/550009446.db2.gz ZCXIQPVHUGQKEX-UHFFFAOYSA-N 1 2 363.483 2.368 20 30 FEEDLO CC(C)OCCC[N@H+](C)CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000265819620 550014476 /nfs/dbraw/zinc/01/44/76/550014476.db2.gz AQLZCHSNWSMTOA-OAHLLOKOSA-N 1 2 356.426 2.259 20 30 FEEDLO CC(C)OCCC[N@@H+](C)CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000265819620 550014479 /nfs/dbraw/zinc/01/44/79/550014479.db2.gz AQLZCHSNWSMTOA-OAHLLOKOSA-N 1 2 356.426 2.259 20 30 FEEDLO CC(C)CO[C@H](C)C(N)=[NH+]O[C@H](C)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000266216412 550018435 /nfs/dbraw/zinc/01/84/35/550018435.db2.gz PZYMMKXEYQLWER-IIAWOOMASA-N 1 2 363.458 2.365 20 30 FEEDLO CC(C)CO[C@H](C)C(N)=[NH+]O[C@@H](C)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000266216417 550018458 /nfs/dbraw/zinc/01/84/58/550018458.db2.gz PZYMMKXEYQLWER-IJEWVQPXSA-N 1 2 363.458 2.365 20 30 FEEDLO C#CCOc1cc(F)ccc1NC(=O)N1CC[C@H]([NH+]2CCN(CC)CC2)C1 ZINC000266400843 550020031 /nfs/dbraw/zinc/02/00/31/550020031.db2.gz MBWRKJQCCULUPU-KRWDZBQOSA-N 1 2 374.460 2.081 20 30 FEEDLO C=CC[NH+](CC=C)CC(=O)Nc1cc(-n2nnnc2C2CC2)ccc1F ZINC000268564482 550087521 /nfs/dbraw/zinc/08/75/21/550087521.db2.gz PVBZZLNZHSPETI-UHFFFAOYSA-N 1 2 356.405 2.291 20 30 FEEDLO COc1ccccc1C[N@H+](CCO)CC(=O)Nc1oc(C)c(C)c1C#N ZINC000269605810 550209961 /nfs/dbraw/zinc/20/99/61/550209961.db2.gz QNZMKZAUOYAGFJ-UHFFFAOYSA-N 1 2 357.410 2.210 20 30 FEEDLO COc1ccccc1C[N@@H+](CCO)CC(=O)Nc1oc(C)c(C)c1C#N ZINC000269605810 550209962 /nfs/dbraw/zinc/20/99/62/550209962.db2.gz QNZMKZAUOYAGFJ-UHFFFAOYSA-N 1 2 357.410 2.210 20 30 FEEDLO COc1ccccc1[C@H](C)NC(=O)CO[NH+]=C(N)c1ccc2c(c1)CCO2 ZINC000269843113 550229941 /nfs/dbraw/zinc/22/99/41/550229941.db2.gz CREWSPFSKCDSQD-ZDUSSCGKSA-N 1 2 369.421 2.144 20 30 FEEDLO CC1(C)C[C@H](NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCO1 ZINC000269969318 550240126 /nfs/dbraw/zinc/24/01/26/550240126.db2.gz DLWXIXBTZIEFGG-GOSISDBHSA-N 1 2 356.470 2.343 20 30 FEEDLO CCc1nn(C)c(N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1[N+](=O)[O-] ZINC000271369209 550369337 /nfs/dbraw/zinc/36/93/37/550369337.db2.gz ZCMPJVPPONMZDY-UHFFFAOYSA-N 1 2 354.414 2.085 20 30 FEEDLO C[C@@](C#N)(NC(=O)CN1CCc2c([nH+]cn2-c2ccc(F)cc2)C1)C1CC1 ZINC000272768714 550470020 /nfs/dbraw/zinc/47/00/20/550470020.db2.gz PTEKZLQTQCTRKX-FQEVSTJZSA-N 1 2 367.428 2.178 20 30 FEEDLO C[C@](C#N)(NC(=O)CN1CCc2c([nH+]cn2-c2ccc(F)cc2)C1)C1CC1 ZINC000272768715 550470035 /nfs/dbraw/zinc/47/00/35/550470035.db2.gz PTEKZLQTQCTRKX-HXUWFJFHSA-N 1 2 367.428 2.178 20 30 FEEDLO N#CCOc1cccc(NC(=O)N2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000274571557 550544588 /nfs/dbraw/zinc/54/45/88/550544588.db2.gz FNOGOAPBAGAYSE-UHFFFAOYSA-N 1 2 351.410 2.334 20 30 FEEDLO CN1CCN(c2cc(N[C@H](CCC#N)c3ccccc3)[nH+]cn2)CC1=O ZINC000274887346 550562564 /nfs/dbraw/zinc/56/25/64/550562564.db2.gz ISIPVBDVSPOVMU-MRXNPFEDSA-N 1 2 350.426 2.212 20 30 FEEDLO CN1CCN(c2cc(N[C@H](CCC#N)c3ccccc3)nc[nH+]2)CC1=O ZINC000274887346 550562565 /nfs/dbraw/zinc/56/25/65/550562565.db2.gz ISIPVBDVSPOVMU-MRXNPFEDSA-N 1 2 350.426 2.212 20 30 FEEDLO COc1ccc(C(N)=[NH+]OCC2CCC3(CC2)OCCO3)cc1OC ZINC000276837967 550601731 /nfs/dbraw/zinc/60/17/31/550601731.db2.gz IJIYAUDDQYDXBR-UHFFFAOYSA-N 1 2 350.415 2.274 20 30 FEEDLO C=C[C@H]1CCCCN1C(=O)NCc1ccc[nH+]c1N1CCC(C(N)=O)CC1 ZINC000494895821 561478855 /nfs/dbraw/zinc/47/88/55/561478855.db2.gz TWYMXWLZLSLCGI-KRWDZBQOSA-N 1 2 371.485 2.033 20 30 FEEDLO C=C[C@@H]1CCCCN1C(=O)NCc1ccc[nH+]c1N1CCC(C(N)=O)CC1 ZINC000494895822 561478882 /nfs/dbraw/zinc/47/88/82/561478882.db2.gz TWYMXWLZLSLCGI-QGZVFWFLSA-N 1 2 371.485 2.033 20 30 FEEDLO CC#CC(=O)N1CC[NH+](CCCc2nc(-c3ccc(C)cc3)no2)CC1 ZINC000277281258 550651586 /nfs/dbraw/zinc/65/15/86/550651586.db2.gz CGLPTERYPIABOH-UHFFFAOYSA-N 1 2 352.438 2.145 20 30 FEEDLO N#C[C@H]1CC[C@H]([NH+]2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C1 ZINC000278746422 550817681 /nfs/dbraw/zinc/81/76/81/550817681.db2.gz WUKQOJQGCHVHQV-ZFWWWQNUSA-N 1 2 353.875 2.339 20 30 FEEDLO C=CCC(CC=C)C(=O)N1CCO[C@@H](C[N@@H+](C)CC(=O)OC(C)(C)C)C1 ZINC000279106057 550854672 /nfs/dbraw/zinc/85/46/72/550854672.db2.gz DITGMQPFQOYQNS-KRWDZBQOSA-N 1 2 366.502 2.256 20 30 FEEDLO C=CCC(CC=C)C(=O)N1CCO[C@@H](C[N@H+](C)CC(=O)OC(C)(C)C)C1 ZINC000279106057 550854673 /nfs/dbraw/zinc/85/46/73/550854673.db2.gz DITGMQPFQOYQNS-KRWDZBQOSA-N 1 2 366.502 2.256 20 30 FEEDLO C#CCn1ccc(C[N@@H+](CC)Cc2ccccc2OCC(=O)N(C)C)n1 ZINC000279440992 550890752 /nfs/dbraw/zinc/89/07/52/550890752.db2.gz RNHLIERGDVXUAK-UHFFFAOYSA-N 1 2 354.454 2.005 20 30 FEEDLO C#CCn1ccc(C[N@H+](CC)Cc2ccccc2OCC(=O)N(C)C)n1 ZINC000279440992 550890753 /nfs/dbraw/zinc/89/07/53/550890753.db2.gz RNHLIERGDVXUAK-UHFFFAOYSA-N 1 2 354.454 2.005 20 30 FEEDLO C#CCn1ccc(C[N@@H+](CC)[C@H](C)C(=O)NCCOc2cccc(C)c2)n1 ZINC000279679103 550915895 /nfs/dbraw/zinc/91/58/95/550915895.db2.gz GIUABTMFMAJNBD-GOSISDBHSA-N 1 2 368.481 2.230 20 30 FEEDLO C#CCn1ccc(C[N@H+](CC)[C@H](C)C(=O)NCCOc2cccc(C)c2)n1 ZINC000279679103 550915896 /nfs/dbraw/zinc/91/58/96/550915896.db2.gz GIUABTMFMAJNBD-GOSISDBHSA-N 1 2 368.481 2.230 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCO[C@@]3(CCO[C@@H]3C)C2)c1 ZINC000280532282 551004736 /nfs/dbraw/zinc/00/47/36/551004736.db2.gz SLZBSQPLFITYJZ-NQIIRXRSSA-N 1 2 371.481 2.430 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCO[C@@]3(CCO[C@@H]3C)C2)c1 ZINC000280532282 551004737 /nfs/dbraw/zinc/00/47/37/551004737.db2.gz SLZBSQPLFITYJZ-NQIIRXRSSA-N 1 2 371.481 2.430 20 30 FEEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](C)C(=O)Nc2ccc(OC(F)F)cc2)C1=O ZINC000281375119 551089797 /nfs/dbraw/zinc/08/97/97/551089797.db2.gz OQYQXKBBIDWKGB-SWLSCSKDSA-N 1 2 367.396 2.334 20 30 FEEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H](C)C(=O)Nc2ccc(OC(F)F)cc2)C1=O ZINC000281375119 551089799 /nfs/dbraw/zinc/08/97/99/551089799.db2.gz OQYQXKBBIDWKGB-SWLSCSKDSA-N 1 2 367.396 2.334 20 30 FEEDLO CC[C@H]1C[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CCCO1 ZINC000281433125 551096686 /nfs/dbraw/zinc/09/66/86/551096686.db2.gz PLNLWZUJFGUGST-KRWDZBQOSA-N 1 2 353.426 2.183 20 30 FEEDLO CC[C@H]1C[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CCCO1 ZINC000281433125 551096688 /nfs/dbraw/zinc/09/66/88/551096688.db2.gz PLNLWZUJFGUGST-KRWDZBQOSA-N 1 2 353.426 2.183 20 30 FEEDLO C=CCN1CC[C@H]([N@H+](C)Cc2csc(-c3ccc(C(N)=O)cc3)n2)C1=O ZINC000281442924 551098345 /nfs/dbraw/zinc/09/83/45/551098345.db2.gz UBELZBGLGLAZMC-INIZCTEOSA-N 1 2 370.478 2.128 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2csc(-c3ccc(C(N)=O)cc3)n2)C1=O ZINC000281442924 551098346 /nfs/dbraw/zinc/09/83/46/551098346.db2.gz UBELZBGLGLAZMC-INIZCTEOSA-N 1 2 370.478 2.128 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000281727605 551135814 /nfs/dbraw/zinc/13/58/14/551135814.db2.gz FRJGLRBBECRNJI-NEWSRXKRSA-N 1 2 358.486 2.451 20 30 FEEDLO CC[N@H+](CC(=O)Nc1ccccc1S[C@@H](C)CC#N)[C@@H]1CCNC1=O ZINC000282375099 551219811 /nfs/dbraw/zinc/21/98/11/551219811.db2.gz ODNBOUYLPZUMRZ-DZGCQCFKSA-N 1 2 360.483 2.230 20 30 FEEDLO CC[N@@H+](CC(=O)Nc1ccccc1S[C@@H](C)CC#N)[C@@H]1CCNC1=O ZINC000282375099 551219813 /nfs/dbraw/zinc/21/98/13/551219813.db2.gz ODNBOUYLPZUMRZ-DZGCQCFKSA-N 1 2 360.483 2.230 20 30 FEEDLO O=S(=O)(C1CC[NH+](CC#Cc2ccc(F)cc2)CC1)N1CCCC1 ZINC000282435441 551228338 /nfs/dbraw/zinc/22/83/38/551228338.db2.gz DMKJIVRPLWZGKK-UHFFFAOYSA-N 1 2 350.459 2.067 20 30 FEEDLO C=CCn1c([C@H](C)CC)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC000282669656 551257878 /nfs/dbraw/zinc/25/78/78/551257878.db2.gz RWHWEBBDQOQQQS-IAGOWNOFSA-N 1 2 374.533 2.111 20 30 FEEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000283084202 551309030 /nfs/dbraw/zinc/30/90/30/551309030.db2.gz KWSMVLRXFXKICL-LBPRGKRZSA-N 1 2 356.361 2.106 20 30 FEEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000283084202 551309032 /nfs/dbraw/zinc/30/90/32/551309032.db2.gz KWSMVLRXFXKICL-LBPRGKRZSA-N 1 2 356.361 2.106 20 30 FEEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC)CC1 ZINC000283367573 551354852 /nfs/dbraw/zinc/35/48/52/551354852.db2.gz DQWZZUGXSKVBRT-OAHLLOKOSA-N 1 2 357.433 2.332 20 30 FEEDLO C=CCCCNC(=O)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000284584567 551582710 /nfs/dbraw/zinc/58/27/10/551582710.db2.gz FTFWNWYKOQOBDO-OAHLLOKOSA-N 1 2 360.845 2.362 20 30 FEEDLO C=CCN(CC1CCCCC1)C(=O)C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000284739610 551621699 /nfs/dbraw/zinc/62/16/99/551621699.db2.gz ZUVBVPWQESZXQP-UHFFFAOYSA-N 1 2 358.486 2.359 20 30 FEEDLO C=CCCCCCN(C)C(=O)C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000285100649 551704455 /nfs/dbraw/zinc/70/44/55/551704455.db2.gz VIVAPLIJAYKFJG-UHFFFAOYSA-N 1 2 355.442 2.088 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)o1 ZINC000287494755 552011628 /nfs/dbraw/zinc/01/16/28/552011628.db2.gz UFEWREORYPFJNV-UHFFFAOYSA-N 1 2 360.439 2.252 20 30 FEEDLO Cc1nsc(N2CC[NH+](C[C@H](O)c3cc(F)ccc3F)CC2)c1C#N ZINC000289397029 552314564 /nfs/dbraw/zinc/31/45/64/552314564.db2.gz FDJBBJIOGXVKDM-INIZCTEOSA-N 1 2 364.421 2.457 20 30 FEEDLO Cc1nsc(N2CC[NH+](Cc3cc(-c4cnn(C)c4)no3)CC2)c1C#N ZINC000289442438 552322117 /nfs/dbraw/zinc/32/21/17/552322117.db2.gz KGZGLCFVFJUDBA-UHFFFAOYSA-N 1 2 369.454 2.034 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)cc1 ZINC000289622897 552351662 /nfs/dbraw/zinc/35/16/62/552351662.db2.gz RNNPIZSZAWTTMC-ROUUACIJSA-N 1 2 360.479 2.365 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)cc1 ZINC000289622897 552351664 /nfs/dbraw/zinc/35/16/64/552351664.db2.gz RNNPIZSZAWTTMC-ROUUACIJSA-N 1 2 360.479 2.365 20 30 FEEDLO COCC[N@H+](CCS(=O)(=O)c1ccc(C#N)cn1)[C@H](C)c1ccccc1 ZINC000290213346 552443232 /nfs/dbraw/zinc/44/32/32/552443232.db2.gz HJFLMNFZPXLZAL-MRXNPFEDSA-N 1 2 373.478 2.437 20 30 FEEDLO COCC[N@@H+](CCS(=O)(=O)c1ccc(C#N)cn1)[C@H](C)c1ccccc1 ZINC000290213346 552443233 /nfs/dbraw/zinc/44/32/33/552443233.db2.gz HJFLMNFZPXLZAL-MRXNPFEDSA-N 1 2 373.478 2.437 20 30 FEEDLO Cc1nc(C)c([C@H](C)[N@H+](C)CCS(=O)(=O)c2ccc(C#N)cn2)s1 ZINC000290271176 552451976 /nfs/dbraw/zinc/45/19/76/552451976.db2.gz LMZZLJYPRMJQGE-LBPRGKRZSA-N 1 2 364.496 2.493 20 30 FEEDLO Cc1nc(C)c([C@H](C)[N@@H+](C)CCS(=O)(=O)c2ccc(C#N)cn2)s1 ZINC000290271176 552451979 /nfs/dbraw/zinc/45/19/79/552451979.db2.gz LMZZLJYPRMJQGE-LBPRGKRZSA-N 1 2 364.496 2.493 20 30 FEEDLO C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1S(=O)(=O)c1ccc(C#N)nc1 ZINC000501177351 561591831 /nfs/dbraw/zinc/59/18/31/561591831.db2.gz RBQZXPXHFDWLFX-HOTGVXAUSA-N 1 2 370.478 2.237 20 30 FEEDLO C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1S(=O)(=O)c1ccc(C#N)nc1 ZINC000501177351 561591832 /nfs/dbraw/zinc/59/18/32/561591832.db2.gz RBQZXPXHFDWLFX-HOTGVXAUSA-N 1 2 370.478 2.237 20 30 FEEDLO COC(=O)c1cc(C[NH+]2CCN(c3snc(C)c3C#N)CC2)n(C)c1C ZINC000291079265 552584602 /nfs/dbraw/zinc/58/46/02/552584602.db2.gz UQQSQUXSCRWLHK-UHFFFAOYSA-N 1 2 373.482 2.079 20 30 FEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@](CO)(c2ccccc2)C1 ZINC000291378707 552620305 /nfs/dbraw/zinc/62/03/05/552620305.db2.gz ARLIGXBKXCBSLX-PZJWPPBQSA-N 1 2 350.418 2.408 20 30 FEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@](CO)(c2ccccc2)C1 ZINC000291378707 552620306 /nfs/dbraw/zinc/62/03/06/552620306.db2.gz ARLIGXBKXCBSLX-PZJWPPBQSA-N 1 2 350.418 2.408 20 30 FEEDLO C[C@H](NC(=O)C[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1)c1cccs1 ZINC000292055734 552688901 /nfs/dbraw/zinc/68/89/01/552688901.db2.gz BQOZGMLQQUJEJX-ZFWWWQNUSA-N 1 2 356.451 2.345 20 30 FEEDLO C[C@H](NC(=O)C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1)c1cccs1 ZINC000292055734 552688903 /nfs/dbraw/zinc/68/89/03/552688903.db2.gz BQOZGMLQQUJEJX-ZFWWWQNUSA-N 1 2 356.451 2.345 20 30 FEEDLO CC(C)(C)c1cc(NC(=O)C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)on1 ZINC000292311990 552714892 /nfs/dbraw/zinc/71/48/92/552714892.db2.gz VIUUERMUQOLKSN-AWEZNQCLSA-N 1 2 369.425 2.331 20 30 FEEDLO CC(C)(C)c1cc(NC(=O)C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)on1 ZINC000292311990 552714894 /nfs/dbraw/zinc/71/48/94/552714894.db2.gz VIUUERMUQOLKSN-AWEZNQCLSA-N 1 2 369.425 2.331 20 30 FEEDLO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3ncc(C4OCCO4)s3)C2)nc1 ZINC000292786388 552758329 /nfs/dbraw/zinc/75/83/29/552758329.db2.gz LZFRVZGDUTVCBD-ZDUSSCGKSA-N 1 2 358.423 2.108 20 30 FEEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3ncc(C4OCCO4)s3)C2)nc1 ZINC000292786388 552758331 /nfs/dbraw/zinc/75/83/31/552758331.db2.gz LZFRVZGDUTVCBD-ZDUSSCGKSA-N 1 2 358.423 2.108 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1F ZINC000292871433 552767113 /nfs/dbraw/zinc/76/71/13/552767113.db2.gz DSECLTFSFCBBIE-UHFFFAOYSA-N 1 2 360.414 2.171 20 30 FEEDLO CN(C)c1cc(C#N)cc(C(=O)N2CC[NH+](Cc3cccc(O)c3)CC2)c1 ZINC000293213612 552799816 /nfs/dbraw/zinc/79/98/16/552799816.db2.gz CGYGADVFWHQGKF-UHFFFAOYSA-N 1 2 364.449 2.288 20 30 FEEDLO C[C@H](NC(=O)c1ccc(Br)cc1C#N)[C@H](C)[NH+]1CCOCC1 ZINC000294585273 552917871 /nfs/dbraw/zinc/91/78/71/552917871.db2.gz MSDFRZFQKDGSBF-RYUDHWBXSA-N 1 2 366.259 2.160 20 30 FEEDLO C=CCNC(=O)[C@H](C)[NH+]1CCC(C(=O)OCC)(C(=O)c2ccccc2)CC1 ZINC000295087197 552957593 /nfs/dbraw/zinc/95/75/93/552957593.db2.gz BPCRHKRHGAFKJF-INIZCTEOSA-N 1 2 372.465 2.205 20 30 FEEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCC(C(=O)OCC)(C(=O)c2ccccc2)CC1 ZINC000295087201 552957662 /nfs/dbraw/zinc/95/76/62/552957662.db2.gz BPCRHKRHGAFKJF-MRXNPFEDSA-N 1 2 372.465 2.205 20 30 FEEDLO COc1cc(C#N)ccc1OCC(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C ZINC000295915309 553075233 /nfs/dbraw/zinc/07/52/33/553075233.db2.gz OIAXMXCVRSIHFQ-KRWDZBQOSA-N 1 2 354.410 2.289 20 30 FEEDLO C[C@@H]1CN(c2ccc(CNc3ncc(C#N)cc3[N+](=O)[O-])c[nH+]2)CCO1 ZINC000296563582 553180209 /nfs/dbraw/zinc/18/02/09/553180209.db2.gz PTGGJAQOTUNVDB-GFCCVEGCSA-N 1 2 354.370 2.094 20 30 FEEDLO CCn1cc([C@@H](C)NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cn1 ZINC000297261625 553270705 /nfs/dbraw/zinc/27/07/05/553270705.db2.gz CQDOSZHYTLVYRR-MRXNPFEDSA-N 1 2 366.469 2.363 20 30 FEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)CC(=O)N(C)[C@H](C)c1ccccc1 ZINC000503211954 561636771 /nfs/dbraw/zinc/63/67/71/561636771.db2.gz SSIPLTXXGUFPJK-DLBZAZTESA-N 1 2 358.486 2.146 20 30 FEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)CC(=O)N(C)[C@H](C)c1ccccc1 ZINC000503211954 561636772 /nfs/dbraw/zinc/63/67/72/561636772.db2.gz SSIPLTXXGUFPJK-DLBZAZTESA-N 1 2 358.486 2.146 20 30 FEEDLO C=CC[C@H](CC)NC(=O)C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000298825292 553477939 /nfs/dbraw/zinc/47/79/39/553477939.db2.gz GKVIYRILGVXZFO-HNNXBMFYSA-N 1 2 356.426 2.372 20 30 FEEDLO C[C@H](C(=O)NC1CCC(C)CC1)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000299019244 553504237 /nfs/dbraw/zinc/50/42/37/553504237.db2.gz FSMYHOUDWBZDAB-UPTPFMHGSA-N 1 2 355.486 2.159 20 30 FEEDLO C[C@H](O)CNc1cc(N2CCN(c3ccc(C#N)cc3Cl)CC2)nc[nH+]1 ZINC000299041855 553507529 /nfs/dbraw/zinc/50/75/29/553507529.db2.gz UGVCQZQTLIGXQV-ZDUSSCGKSA-N 1 2 372.860 2.121 20 30 FEEDLO C[C@H](O)CNc1cc(N2CCN(c3ccc(C#N)cc3Cl)CC2)[nH+]cn1 ZINC000299041855 553507531 /nfs/dbraw/zinc/50/75/31/553507531.db2.gz UGVCQZQTLIGXQV-ZDUSSCGKSA-N 1 2 372.860 2.121 20 30 FEEDLO Cc1nc(C2([NH2+]C[C@H](O)COc3ccc(C#N)cc3)CCCCC2)no1 ZINC000299283291 553541922 /nfs/dbraw/zinc/54/19/22/553541922.db2.gz WHRBPQMTUBUIDU-INIZCTEOSA-N 1 2 356.426 2.439 20 30 FEEDLO CC[C@@H](C)NC(=O)C[NH+]1CCN(c2cc(C#N)nc3ccccc32)CC1 ZINC000301334227 553643067 /nfs/dbraw/zinc/64/30/67/553643067.db2.gz FPKIYFHKDDLSIP-OAHLLOKOSA-N 1 2 351.454 2.143 20 30 FEEDLO N#Cc1cc(NC[C@H]2C[N@@H+](C3CC3)CCO2)nc2ccc([N+](=O)[O-])cc12 ZINC000301392291 553648063 /nfs/dbraw/zinc/64/80/63/553648063.db2.gz HXJBLHZORIGUSI-HNNXBMFYSA-N 1 2 353.382 2.290 20 30 FEEDLO N#Cc1cc(NC[C@H]2C[N@H+](C3CC3)CCO2)nc2ccc([N+](=O)[O-])cc12 ZINC000301392291 553648066 /nfs/dbraw/zinc/64/80/66/553648066.db2.gz HXJBLHZORIGUSI-HNNXBMFYSA-N 1 2 353.382 2.290 20 30 FEEDLO CC(C)c1nc(N(C)C)nc(NC2CCN(c3ccc(C#N)cn3)CC2)[nH+]1 ZINC000301952981 553693989 /nfs/dbraw/zinc/69/39/89/553693989.db2.gz COLGTYXWVHHKBJ-UHFFFAOYSA-N 1 2 366.473 2.409 20 30 FEEDLO CC(C)c1nc(NC2CCN(c3ccc(C#N)cn3)CC2)nc(N(C)C)[nH+]1 ZINC000301952981 553693991 /nfs/dbraw/zinc/69/39/91/553693991.db2.gz COLGTYXWVHHKBJ-UHFFFAOYSA-N 1 2 366.473 2.409 20 30 FEEDLO Cc1ccc(N2CC[NH+](CC(=O)N(C)C3CCCCC3)CC2)nc1C#N ZINC000302684391 553725814 /nfs/dbraw/zinc/72/58/14/553725814.db2.gz XTBRORJIPUYBOV-UHFFFAOYSA-N 1 2 355.486 2.175 20 30 FEEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)c1nn(C)c3ccccc3c1=O)CCC2 ZINC000328663667 553804182 /nfs/dbraw/zinc/80/41/82/553804182.db2.gz YCLXORUTDSNPRT-ZDUSSCGKSA-N 1 2 351.410 2.321 20 30 FEEDLO O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)N1C[C@@H]2COC[C@H](C1)O2 ZINC000328732920 553814137 /nfs/dbraw/zinc/81/41/37/553814137.db2.gz HKOHNACEEQDULS-IYBDPMFKSA-N 1 2 366.421 2.247 20 30 FEEDLO C[C@@H](C(=O)N1CCC(NC(=O)C2CCCCC2)CC1)[NH+]1CCOCC1 ZINC000328782150 553821521 /nfs/dbraw/zinc/82/15/21/553821521.db2.gz GAJSIQPXONGVSD-HNNXBMFYSA-N 1 2 351.491 2.235 20 30 FEEDLO O=C(N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCOC[C@H]1C1CC1)C1CCCCC1 ZINC000328786269 553822509 /nfs/dbraw/zinc/82/25/09/553822509.db2.gz ONBLWPZNOQXMCD-ROUUACIJSA-N 1 2 374.485 2.495 20 30 FEEDLO O=C(N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCOC[C@H]1C1CC1)C1CCCCC1 ZINC000328786269 553822510 /nfs/dbraw/zinc/82/25/10/553822510.db2.gz ONBLWPZNOQXMCD-ROUUACIJSA-N 1 2 374.485 2.495 20 30 FEEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3C[C@@H]4COC[C@H](C3)O4)n2)C1 ZINC000328824006 553828322 /nfs/dbraw/zinc/82/83/22/553828322.db2.gz SADWOJHMXTWCKW-YUELXQCFSA-N 1 2 366.487 2.020 20 30 FEEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3C[C@@H]4COC[C@H](C3)O4)n2)C1 ZINC000328824006 553828323 /nfs/dbraw/zinc/82/83/23/553828323.db2.gz SADWOJHMXTWCKW-YUELXQCFSA-N 1 2 366.487 2.020 20 30 FEEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)NCCc3cccc4cccnc43)C[C@@H]21 ZINC000328877333 553837516 /nfs/dbraw/zinc/83/75/16/553837516.db2.gz KOGKXKWQQUIDPU-ZWKOTPCHSA-N 1 2 354.454 2.096 20 30 FEEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)NCCc3cccc4cccnc43)C[C@@H]21 ZINC000328877333 553837518 /nfs/dbraw/zinc/83/75/18/553837518.db2.gz KOGKXKWQQUIDPU-ZWKOTPCHSA-N 1 2 354.454 2.096 20 30 FEEDLO CC(C)c1nc(CCNC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)cs1 ZINC000328886440 553838695 /nfs/dbraw/zinc/83/86/95/553838695.db2.gz OWHGYQAMYIXBIT-GJZGRUSLSA-N 1 2 352.504 2.128 20 30 FEEDLO CC(C)c1nc(CCNC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)cs1 ZINC000328886440 553838697 /nfs/dbraw/zinc/83/86/97/553838697.db2.gz OWHGYQAMYIXBIT-GJZGRUSLSA-N 1 2 352.504 2.128 20 30 FEEDLO C[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCCNC2=O)[C@H]1c1ccc(F)c(F)c1 ZINC000328936566 553848711 /nfs/dbraw/zinc/84/87/11/553848711.db2.gz FYUDJZSMPYQGPG-RRFJBIMHSA-N 1 2 352.385 2.333 20 30 FEEDLO C[N@H+]1CC[C@H](NC(=O)N[C@@H]2CCCNC2=O)[C@H]1c1ccc(F)c(F)c1 ZINC000328936566 553848713 /nfs/dbraw/zinc/84/87/13/553848713.db2.gz FYUDJZSMPYQGPG-RRFJBIMHSA-N 1 2 352.385 2.333 20 30 FEEDLO CCn1cc[nH+]c1[C@H](NC(=O)N(C)C1CCOCC1)C1CCOCC1 ZINC000328939785 553849864 /nfs/dbraw/zinc/84/98/64/553849864.db2.gz HJFITNGZHZBQTB-MRXNPFEDSA-N 1 2 350.463 2.396 20 30 FEEDLO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@@H]2CCc3[nH]nnc3C2)CC1 ZINC000328947274 553850937 /nfs/dbraw/zinc/85/09/37/553850937.db2.gz GUBXXLVDZDQQKM-UKRRQHHQSA-N 1 2 354.458 2.487 20 30 FEEDLO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@@H]2CCc3nn[nH]c3C2)CC1 ZINC000328947274 553850938 /nfs/dbraw/zinc/85/09/38/553850938.db2.gz GUBXXLVDZDQQKM-UKRRQHHQSA-N 1 2 354.458 2.487 20 30 FEEDLO O=C(C[N@H+]1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O)NC(=O)NC1CCCCC1 ZINC000328974476 553856831 /nfs/dbraw/zinc/85/68/31/553856831.db2.gz PQDAENMBGAYHCG-XHSDSOJGSA-N 1 2 353.463 2.051 20 30 FEEDLO O=C(C[N@@H+]1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O)NC(=O)NC1CCCCC1 ZINC000328974476 553856834 /nfs/dbraw/zinc/85/68/34/553856834.db2.gz PQDAENMBGAYHCG-XHSDSOJGSA-N 1 2 353.463 2.051 20 30 FEEDLO CCn1cc[nH+]c1[C@H](NC(=O)N1C[C@H](C)O[C@@H](C)C1)C1CCOCC1 ZINC000329001873 553862237 /nfs/dbraw/zinc/86/22/37/553862237.db2.gz WCGFPDXXSVFQPZ-OFQRWUPVSA-N 1 2 350.463 2.394 20 30 FEEDLO CCC[N@H+](CC(=O)N[C@@H]1CCOc2ccccc21)[C@H]1CCS(=O)(=O)C1 ZINC000329127830 553885008 /nfs/dbraw/zinc/88/50/08/553885008.db2.gz UZYXHUVEYRXAHQ-GOEBONIOSA-N 1 2 366.483 2.366 20 30 FEEDLO CCC[N@@H+](CC(=O)N[C@@H]1CCOc2ccccc21)[C@H]1CCS(=O)(=O)C1 ZINC000329127830 553885012 /nfs/dbraw/zinc/88/50/12/553885012.db2.gz UZYXHUVEYRXAHQ-GOEBONIOSA-N 1 2 366.483 2.366 20 30 FEEDLO CC(C)(C)C(=O)N1CSC[C@@H]1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000329178604 553896649 /nfs/dbraw/zinc/89/66/49/553896649.db2.gz NMGWINNVOFDJNR-CYBMUJFWSA-N 1 2 357.520 2.001 20 30 FEEDLO CC(C)(C)C(=O)N1CSC[C@@H]1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000329178604 553896650 /nfs/dbraw/zinc/89/66/50/553896650.db2.gz NMGWINNVOFDJNR-CYBMUJFWSA-N 1 2 357.520 2.001 20 30 FEEDLO C[C@@H]1CCC[C@H](NC(=O)CN2CC[NH+](CC(=O)N3CCCCC3)CC2)C1 ZINC000329215790 553904454 /nfs/dbraw/zinc/90/44/54/553904454.db2.gz NIFIIMJMUNSCAB-MSOLQXFVSA-N 1 2 364.534 2.152 20 30 FEEDLO Cn1c[nH+]cc1[C@H]1[C@H](NC(=O)N2C[C@@H]3[C@H](C2)C3(C)C)CCC(=O)N1C1CC1 ZINC000329247674 553910408 /nfs/dbraw/zinc/91/04/08/553910408.db2.gz WHLDORLRPWUGLQ-BASYENTBSA-N 1 2 371.485 2.116 20 30 FEEDLO CC(=O)N1CCC(NC([O-])=[NH+][C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)CC1 ZINC000329284093 553917811 /nfs/dbraw/zinc/91/78/11/553917811.db2.gz OJFWTMXXJQTHHS-OAHLLOKOSA-N 1 2 361.490 2.010 20 30 FEEDLO CC(=O)N1CCC([NH+]=C([O-])N[C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)CC1 ZINC000329284093 553917813 /nfs/dbraw/zinc/91/78/13/553917813.db2.gz OJFWTMXXJQTHHS-OAHLLOKOSA-N 1 2 361.490 2.010 20 30 FEEDLO CC[N@@H+]1CC[C@H](NC(=O)N2CC[C@H](CO)C2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000329361731 553932132 /nfs/dbraw/zinc/93/21/32/553932132.db2.gz CQJPVGWICQXONU-XNJJOIOASA-N 1 2 371.403 2.467 20 30 FEEDLO CC[N@H+]1CC[C@H](NC(=O)N2CC[C@H](CO)C2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000329361731 553932135 /nfs/dbraw/zinc/93/21/35/553932135.db2.gz CQJPVGWICQXONU-XNJJOIOASA-N 1 2 371.403 2.467 20 30 FEEDLO Cn1cc[nH+]c1[C@@H](NC(=O)N1CCC2(C1)CCOCC2)C1CCOCC1 ZINC000329429474 553945347 /nfs/dbraw/zinc/94/53/47/553945347.db2.gz HIAFEJNGXQUPPC-INIZCTEOSA-N 1 2 362.474 2.304 20 30 FEEDLO C[NH+]1CCN(C(=O)c2cc(NC(=O)N3CCC[C@@H]4CCC[C@H]43)ccn2)CC1 ZINC000329436215 553946752 /nfs/dbraw/zinc/94/67/52/553946752.db2.gz LZORGYRBMZYJPO-MAUKXSAKSA-N 1 2 371.485 2.279 20 30 FEEDLO O=C(NC[C@@H]1CCCn2cc[nH+]c21)N1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000329523375 553961731 /nfs/dbraw/zinc/96/17/31/553961731.db2.gz GMUPDTWESRDEHW-AVGNSLFASA-N 1 2 360.380 2.167 20 30 FEEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)N1CCOCC(F)(F)C1)C2 ZINC000329679793 553987445 /nfs/dbraw/zinc/98/74/45/553987445.db2.gz WDKQJHGSRGRSCG-GFCCVEGCSA-N 1 2 356.417 2.377 20 30 FEEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NC2CCN(c3nccs3)CC2)C1 ZINC000329788368 554006418 /nfs/dbraw/zinc/00/64/18/554006418.db2.gz ZNZXSFYFIIXIKY-CYBMUJFWSA-N 1 2 360.487 2.249 20 30 FEEDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)C1 ZINC000507293413 561723966 /nfs/dbraw/zinc/72/39/66/561723966.db2.gz ZUOYLPARVIOGIX-QRWLVFNGSA-N 1 2 374.485 2.463 20 30 FEEDLO CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1)C(=O)N[C@@H]1CCCSC1 ZINC000329936836 554034889 /nfs/dbraw/zinc/03/48/89/554034889.db2.gz LDQZZGHKRMCGBP-XHSDSOJGSA-N 1 2 369.510 2.074 20 30 FEEDLO CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1)C(=O)N[C@@H]1CCCSC1 ZINC000329936836 554034891 /nfs/dbraw/zinc/03/48/91/554034891.db2.gz LDQZZGHKRMCGBP-XHSDSOJGSA-N 1 2 369.510 2.074 20 30 FEEDLO Cc1ccnc(-c2cccc(NC(=O)N3C[C@H]4OCC[N@@H+](C)[C@@H]4C3)c2)n1 ZINC000329940049 554035674 /nfs/dbraw/zinc/03/56/74/554035674.db2.gz BIPYEBSQPLPKNE-IAGOWNOFSA-N 1 2 353.426 2.012 20 30 FEEDLO Cc1ccnc(-c2cccc(NC(=O)N3C[C@H]4OCC[N@H+](C)[C@@H]4C3)c2)n1 ZINC000329940049 554035676 /nfs/dbraw/zinc/03/56/76/554035676.db2.gz BIPYEBSQPLPKNE-IAGOWNOFSA-N 1 2 353.426 2.012 20 30 FEEDLO O=C(NCc1ccc(N2CCCCC2)[nH+]c1)[C@@H]1COCCN1CC(F)F ZINC000329952175 554037954 /nfs/dbraw/zinc/03/79/54/554037954.db2.gz IQZCVISJFJRCBL-HNNXBMFYSA-N 1 2 368.428 2.494 20 30 FEEDLO CCO[C@@H]1C[C@@H](NC(=O)C2([NH+]3CCOCC3)CCC2)C12CCOCC2 ZINC000329969362 554040742 /nfs/dbraw/zinc/04/07/42/554040742.db2.gz UMQGXETYMAAMMN-HZPDHXFCSA-N 1 2 352.475 2.172 20 30 FEEDLO Cc1ccc([C@H](CNC(=O)N2CC[C@H](O)C[C@@H]2C)[NH+]2CCOCC2)s1 ZINC000330199545 554083722 /nfs/dbraw/zinc/08/37/22/554083722.db2.gz VOTCHCBARYZQEQ-BPUTZDHNSA-N 1 2 367.515 2.189 20 30 FEEDLO Cc1c(NC(=O)[C@H]2CCn3c[nH+]cc3C2)cccc1S(=O)(=O)NC1CC1 ZINC000330216067 554086939 /nfs/dbraw/zinc/08/69/39/554086939.db2.gz HLJLSSJHQOYNGC-ZDUSSCGKSA-N 1 2 374.466 2.483 20 30 FEEDLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)N[C@H]1CCOC2(CCOCC2)C1 ZINC000330231391 554089763 /nfs/dbraw/zinc/08/97/63/554089763.db2.gz RBBJAVOXXJGJNZ-KRWDZBQOSA-N 1 2 374.485 2.414 20 30 FEEDLO [O-]C(NC[C@@H]1COCCO1)=[NH+][C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000330257313 554093899 /nfs/dbraw/zinc/09/38/99/554093899.db2.gz LJCHXQNXAUGMGT-BPQIPLTHSA-N 1 2 356.426 2.031 20 30 FEEDLO O=C(NC[C@@H]1COCCO1)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000330257313 554093902 /nfs/dbraw/zinc/09/39/02/554093902.db2.gz LJCHXQNXAUGMGT-BPQIPLTHSA-N 1 2 356.426 2.031 20 30 FEEDLO N#Cc1ccc(N2CC[NH+](C[C@H](O)COc3ccccc3F)CC2)c(F)c1 ZINC000507768691 561740299 /nfs/dbraw/zinc/74/02/99/561740299.db2.gz HZFNIBRMBUVTIU-INIZCTEOSA-N 1 2 373.403 2.398 20 30 FEEDLO C[C@H](C(=O)N(C)CCC#N)[NH+]1CCN([C@@H](C)c2ccc(F)cc2F)CC1 ZINC000507772504 561740379 /nfs/dbraw/zinc/74/03/79/561740379.db2.gz YXDTVSIQFCHAOM-LSDHHAIUSA-N 1 2 364.440 2.404 20 30 FEEDLO Cc1cccc(NC(=O)NC(=O)C[N@@H+]2CCC[C@@](O)(C(F)(F)F)C2)c1C ZINC000330807782 554174370 /nfs/dbraw/zinc/17/43/70/554174370.db2.gz JMFJULRPIVEVRP-INIZCTEOSA-N 1 2 373.375 2.354 20 30 FEEDLO Cc1cccc(NC(=O)NC(=O)C[N@H+]2CCC[C@@](O)(C(F)(F)F)C2)c1C ZINC000330807782 554174372 /nfs/dbraw/zinc/17/43/72/554174372.db2.gz JMFJULRPIVEVRP-INIZCTEOSA-N 1 2 373.375 2.354 20 30 FEEDLO C[C@@H](C(=O)NC(C)(C)C)[N@H+](C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000331326248 554247455 /nfs/dbraw/zinc/24/74/55/554247455.db2.gz OQXUKIWSLGRBTO-WMLDXEAASA-N 1 2 356.470 2.289 20 30 FEEDLO C[C@@H](C(=O)NC(C)(C)C)[N@@H+](C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000331326248 554247457 /nfs/dbraw/zinc/24/74/57/554247457.db2.gz OQXUKIWSLGRBTO-WMLDXEAASA-N 1 2 356.470 2.289 20 30 FEEDLO C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(Cc2ccc(C#N)c(F)c2)CC1 ZINC000332555928 554470596 /nfs/dbraw/zinc/47/05/96/554470596.db2.gz SZBNKTCLIIYFOV-MRXNPFEDSA-N 1 2 358.461 2.216 20 30 FEEDLO Cn1cc[nH+]c1CN1CCN(C(=O)C(C)(C)c2cc(F)cc(C#N)c2)CC1 ZINC000510281697 561830531 /nfs/dbraw/zinc/83/05/31/561830531.db2.gz MADVWHTWQRXLPZ-UHFFFAOYSA-N 1 2 369.444 2.053 20 30 FEEDLO Cn1cc(C#N)c(=NC(=O)N2CC[NH+](Cc3ccccc3Cl)CC2)[nH]1 ZINC000610821338 554567318 /nfs/dbraw/zinc/56/73/18/554567318.db2.gz FHSIJMLXMZGDLP-UHFFFAOYSA-N 1 2 358.833 2.295 20 30 FEEDLO COc1ccc(CCNC(=O)[C@@H](C)[NH+]2CCC(F)(C#N)CC2)cc1OC ZINC000510939569 561851440 /nfs/dbraw/zinc/85/14/40/561851440.db2.gz YOBJNCRQPBSTNY-CQSZACIVSA-N 1 2 363.433 2.079 20 30 FEEDLO C=CCCS(=O)(=O)NCC1CC[NH+](Cc2csc(CC)n2)CC1 ZINC000363827541 555194922 /nfs/dbraw/zinc/19/49/22/555194922.db2.gz PSIAPQZYZMMKDM-UHFFFAOYSA-N 1 2 357.545 2.413 20 30 FEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@]2(C1)c1ccccc1NC2=O ZINC000364437494 555314163 /nfs/dbraw/zinc/31/41/63/555314163.db2.gz BEBMXJWBMSZSON-GHTZIAJQSA-N 1 2 361.401 2.368 20 30 FEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@]2(C1)c1ccccc1NC2=O ZINC000364437494 555314164 /nfs/dbraw/zinc/31/41/64/555314164.db2.gz BEBMXJWBMSZSON-GHTZIAJQSA-N 1 2 361.401 2.368 20 30 FEEDLO Cc1cc(S(=O)(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)ccc1C#N ZINC000365535292 555602063 /nfs/dbraw/zinc/60/20/63/555602063.db2.gz POSUMOKXDRJMDN-HNNXBMFYSA-N 1 2 358.467 2.244 20 30 FEEDLO C=CCSCCNC(=O)[C@@H]1CCC(=O)N(CCC)[C@H]1c1c[nH+]cn1C ZINC000365560091 555608839 /nfs/dbraw/zinc/60/88/39/555608839.db2.gz LEBYYSAPJFFQQP-RHSMWYFYSA-N 1 2 364.515 2.145 20 30 FEEDLO N#Cc1ccc([C@H](C(N)=O)[N@@H+]2CCCN(c3ccccc3F)CC2)cc1 ZINC000513392274 561936534 /nfs/dbraw/zinc/93/65/34/561936534.db2.gz OINPYGWDRKFXOW-LJQANCHMSA-N 1 2 352.413 2.436 20 30 FEEDLO N#Cc1ccc([C@H](C(N)=O)[N@H+]2CCCN(c3ccccc3F)CC2)cc1 ZINC000513392274 561936535 /nfs/dbraw/zinc/93/65/35/561936535.db2.gz OINPYGWDRKFXOW-LJQANCHMSA-N 1 2 352.413 2.436 20 30 FEEDLO C=C(C)[C@H]1OCCC[C@H]1C(=O)N1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000365926673 555702963 /nfs/dbraw/zinc/70/29/63/555702963.db2.gz LXNIYDGBLMOTSD-LZLYRXPVSA-N 1 2 359.470 2.499 20 30 FEEDLO N#Cc1cnc(NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)c(Cl)c1 ZINC000513615185 561944825 /nfs/dbraw/zinc/94/48/25/561944825.db2.gz OEZCUDAVFXWITM-UHFFFAOYSA-N 1 2 370.844 2.152 20 30 FEEDLO N#Cc1ccc(CN(C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)C2CC2)cc1 ZINC000366476160 555854763 /nfs/dbraw/zinc/85/47/63/555854763.db2.gz QTAFIFBJMBBCJH-IBGZPJMESA-N 1 2 354.454 2.095 20 30 FEEDLO N#Cc1ccc(CN(C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)C2CC2)cc1 ZINC000366476160 555854766 /nfs/dbraw/zinc/85/47/66/555854766.db2.gz QTAFIFBJMBBCJH-IBGZPJMESA-N 1 2 354.454 2.095 20 30 FEEDLO N#CCCn1cc(C[N@@H+]2CCO[C@@H]3CCOC[C@H]32)c(-c2ccccc2)n1 ZINC000366487263 555858176 /nfs/dbraw/zinc/85/81/76/555858176.db2.gz FWNDDIMXYRKCLW-RTBURBONSA-N 1 2 352.438 2.453 20 30 FEEDLO N#CCCn1cc(C[N@H+]2CCO[C@@H]3CCOC[C@H]32)c(-c2ccccc2)n1 ZINC000366487263 555858178 /nfs/dbraw/zinc/85/81/78/555858178.db2.gz FWNDDIMXYRKCLW-RTBURBONSA-N 1 2 352.438 2.453 20 30 FEEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000366587767 555884458 /nfs/dbraw/zinc/88/44/58/555884458.db2.gz ZMGACMCPFDMBFH-XGVWBKLPSA-N 1 2 363.502 2.186 20 30 FEEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000366587767 555884462 /nfs/dbraw/zinc/88/44/62/555884462.db2.gz ZMGACMCPFDMBFH-XGVWBKLPSA-N 1 2 363.502 2.186 20 30 FEEDLO C#CC[C@H](NC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1)c1ccccc1 ZINC000366765318 555928591 /nfs/dbraw/zinc/92/85/91/555928591.db2.gz OXERGTZOMZZLOB-AZUAARDMSA-N 1 2 373.522 2.258 20 30 FEEDLO N#CC[C@@H](CC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1)c1ccccc1 ZINC000366830316 555945657 /nfs/dbraw/zinc/94/56/57/555945657.db2.gz RYTJOMCHPMCMQO-ICSRJNTNSA-N 1 2 373.522 2.398 20 30 FEEDLO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N([C@H]2CCO[C@H]2C2CC2)CC1=O ZINC000367012981 555997475 /nfs/dbraw/zinc/99/74/75/555997475.db2.gz HKTZHEXBCRHQOZ-YJBOKZPZSA-N 1 2 352.438 2.214 20 30 FEEDLO C[N@H+](CC(=O)Nc1ccc(Br)cn1)Cc1ccc(C#N)cn1 ZINC000514646720 561971340 /nfs/dbraw/zinc/97/13/40/561971340.db2.gz XTNBYURMKHQHPQ-UHFFFAOYSA-N 1 2 360.215 2.181 20 30 FEEDLO C[N@@H+](CC(=O)Nc1ccc(Br)cn1)Cc1ccc(C#N)cn1 ZINC000514646720 561971341 /nfs/dbraw/zinc/97/13/41/561971341.db2.gz XTNBYURMKHQHPQ-UHFFFAOYSA-N 1 2 360.215 2.181 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H](c3nccs3)C2)nc1 ZINC000368005250 556193331 /nfs/dbraw/zinc/19/33/31/556193331.db2.gz HVZQQUZEBFOZOF-CQSZACIVSA-N 1 2 362.480 2.063 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@@H](c3nccs3)C2)nc1 ZINC000368005250 556193334 /nfs/dbraw/zinc/19/33/34/556193334.db2.gz HVZQQUZEBFOZOF-CQSZACIVSA-N 1 2 362.480 2.063 20 30 FEEDLO Cc1cc(S(=O)(=O)N2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)ccc1C#N ZINC000515305458 562004251 /nfs/dbraw/zinc/00/42/51/562004251.db2.gz XQPLBTOTQYIQDP-IBGZPJMESA-N 1 2 369.490 2.414 20 30 FEEDLO Cc1cc(S(=O)(=O)N2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)ccc1C#N ZINC000515305458 562004252 /nfs/dbraw/zinc/00/42/52/562004252.db2.gz XQPLBTOTQYIQDP-IBGZPJMESA-N 1 2 369.490 2.414 20 30 FEEDLO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CCC[C@H](N3CCCCC3=O)C2)C1=O ZINC000368542521 556340160 /nfs/dbraw/zinc/34/01/60/556340160.db2.gz GWZZQBSGVZWDBR-JKSUJKDBSA-N 1 2 372.494 2.202 20 30 FEEDLO N#Cc1ccsc1N1CC[C@@H]([N@H+]2CCC[C@H](N3CCCCC3=O)C2)C1=O ZINC000368542521 556340164 /nfs/dbraw/zinc/34/01/64/556340164.db2.gz GWZZQBSGVZWDBR-JKSUJKDBSA-N 1 2 372.494 2.202 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[NH+]2CCC(Cc3ccccn3)CC2)nc1 ZINC000368572189 556349439 /nfs/dbraw/zinc/34/94/39/556349439.db2.gz GLDMFIMOSJIXFS-UHFFFAOYSA-N 1 2 370.478 2.077 20 30 FEEDLO CCCC[C@@H](ON=C(C)C)C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000368625577 556367426 /nfs/dbraw/zinc/36/74/26/556367426.db2.gz ZMQODAWXTUVPBK-AEFFLSMTSA-N 1 2 371.547 2.282 20 30 FEEDLO C#CCC1(C(=O)NCC2([NH+]3CCOCC3)CC(OCC)C2)CCCCC1 ZINC000368940045 556454270 /nfs/dbraw/zinc/45/42/70/556454270.db2.gz UIPVMVUQDZDUHC-UHFFFAOYSA-N 1 2 362.514 2.346 20 30 FEEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O ZINC000368974718 556464909 /nfs/dbraw/zinc/46/49/09/556464909.db2.gz OLZNGXFICHZVLD-PMUMKWKESA-N 1 2 359.495 2.489 20 30 FEEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O ZINC000368974718 556464914 /nfs/dbraw/zinc/46/49/14/556464914.db2.gz OLZNGXFICHZVLD-PMUMKWKESA-N 1 2 359.495 2.489 20 30 FEEDLO Cc1ccc(N2CCC[C@H](C(=O)N=c3[nH]n(C(C)C)cc3C#N)C2)[nH+]c1 ZINC000369140445 556514589 /nfs/dbraw/zinc/51/45/89/556514589.db2.gz SEWIHNVYTCNKOP-HNNXBMFYSA-N 1 2 352.442 2.894 20 30 FEEDLO N#CC1(c2ccccn2)CC[NH+](CC(=O)NCCOc2ccccc2)CC1 ZINC000369215636 556537905 /nfs/dbraw/zinc/53/79/05/556537905.db2.gz QTTXYOYMLBXZFJ-UHFFFAOYSA-N 1 2 364.449 2.134 20 30 FEEDLO N#CC1(c2ccccn2)CC[NH+]([C@H](Cc2ccc(F)cc2)C(N)=O)CC1 ZINC000369214656 556538129 /nfs/dbraw/zinc/53/81/29/556538129.db2.gz LFHDEMXSQYVXMO-QGZVFWFLSA-N 1 2 352.413 2.174 20 30 FEEDLO Cc1ccn(C2CC[NH+](CCS(=O)(=O)c3cccc(C#N)c3)CC2)n1 ZINC000369368849 556581903 /nfs/dbraw/zinc/58/19/03/556581903.db2.gz IFGMTENRRZLDJF-UHFFFAOYSA-N 1 2 358.467 2.174 20 30 FEEDLO N#Cc1ccc(-c2nnc(C[NH+]3CCC(Oc4cnccn4)CC3)o2)cc1 ZINC000369681245 556666817 /nfs/dbraw/zinc/66/68/17/556666817.db2.gz JNZJGQFDBAIMFG-UHFFFAOYSA-N 1 2 362.393 2.442 20 30 FEEDLO N#Cc1ccc(NC(=O)C[NH+]2CCC(Oc3cnccn3)CC2)cc1Cl ZINC000369722208 556677887 /nfs/dbraw/zinc/67/78/87/556677887.db2.gz JNNIPHRFJLRFDZ-UHFFFAOYSA-N 1 2 371.828 2.484 20 30 FEEDLO N#Cc1ncn(C2CC[NH+](Cc3nc(-c4ccc(F)c(F)c4)no3)CC2)n1 ZINC000370118947 556786109 /nfs/dbraw/zinc/78/61/09/556786109.db2.gz CLPFNLVKXRYDDC-UHFFFAOYSA-N 1 2 371.351 2.315 20 30 FEEDLO N#CCCn1cc(C(=O)C[N@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)c2ccccc21 ZINC000370221059 556814707 /nfs/dbraw/zinc/81/47/07/556814707.db2.gz HCHRHKYZPCAMTB-AVYPCKFXSA-N 1 2 364.449 2.323 20 30 FEEDLO N#CCCn1cc(C(=O)C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)c2ccccc21 ZINC000370221059 556814710 /nfs/dbraw/zinc/81/47/10/556814710.db2.gz HCHRHKYZPCAMTB-AVYPCKFXSA-N 1 2 364.449 2.323 20 30 FEEDLO CCOC(=O)C[N@@H+]1CCCN(C(=O)C[C@H](CC#N)c2ccccc2)CC1 ZINC000370484171 556886286 /nfs/dbraw/zinc/88/62/86/556886286.db2.gz NMGCOABXCKYTGG-SFHVURJKSA-N 1 2 357.454 2.171 20 30 FEEDLO CCOC(=O)C[N@H+]1CCCN(C(=O)C[C@H](CC#N)c2ccccc2)CC1 ZINC000370484171 556886289 /nfs/dbraw/zinc/88/62/89/556886289.db2.gz NMGCOABXCKYTGG-SFHVURJKSA-N 1 2 357.454 2.171 20 30 FEEDLO Cc1[nH+]c2ccc(C(=O)N3CC[C@H](Oc4ccc(C#N)cn4)C3)cc2n1C ZINC000370665047 556934519 /nfs/dbraw/zinc/93/45/19/556934519.db2.gz MRIBFFZAHJUICN-INIZCTEOSA-N 1 2 361.405 2.442 20 30 FEEDLO N#CCCN(C(=O)CCC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1)c1ccccc1 ZINC000371307365 557139532 /nfs/dbraw/zinc/13/95/32/557139532.db2.gz DFORRPBTSMXKFS-OAHLLOKOSA-N 1 2 365.437 2.110 20 30 FEEDLO N#CCCN(C(=O)CCC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1)c1ccccc1 ZINC000371307365 557139534 /nfs/dbraw/zinc/13/95/34/557139534.db2.gz DFORRPBTSMXKFS-OAHLLOKOSA-N 1 2 365.437 2.110 20 30 FEEDLO CC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000371470705 557191034 /nfs/dbraw/zinc/19/10/34/557191034.db2.gz NUJYTVJXQYGOFG-IIBYNOLFSA-N 1 2 360.417 2.490 20 30 FEEDLO CC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000371470705 557191040 /nfs/dbraw/zinc/19/10/40/557191040.db2.gz NUJYTVJXQYGOFG-IIBYNOLFSA-N 1 2 360.417 2.490 20 30 FEEDLO Cc1[nH+]c2ccccc2n1CC(=O)N1CCC(Nc2ccc(C#N)cn2)CC1 ZINC000372111940 557382402 /nfs/dbraw/zinc/38/24/02/557382402.db2.gz AALIDBSXVIDKEE-UHFFFAOYSA-N 1 2 374.448 2.715 20 30 FEEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CC[C@@H](Oc3ccccc3)C2)c1 ZINC000372220188 557413441 /nfs/dbraw/zinc/41/34/41/557413441.db2.gz YRAIZTNPKRHHAE-GOSISDBHSA-N 1 2 356.447 2.485 20 30 FEEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CC[C@@H](Oc3ccccc3)C2)c1 ZINC000372220188 557413443 /nfs/dbraw/zinc/41/34/43/557413443.db2.gz YRAIZTNPKRHHAE-GOSISDBHSA-N 1 2 356.447 2.485 20 30 FEEDLO C#CCC1(C(=O)N2CCC[N@@H+](CC(=O)NC(C)(C)C)CC2)CCCCC1 ZINC000372689290 557538602 /nfs/dbraw/zinc/53/86/02/557538602.db2.gz DCHYCPWXAPKQNV-UHFFFAOYSA-N 1 2 361.530 2.409 20 30 FEEDLO C#CCC1(C(=O)N2CCC[N@H+](CC(=O)NC(C)(C)C)CC2)CCCCC1 ZINC000372689290 557538603 /nfs/dbraw/zinc/53/86/03/557538603.db2.gz DCHYCPWXAPKQNV-UHFFFAOYSA-N 1 2 361.530 2.409 20 30 FEEDLO CCc1nc(C[NH+]2C[C@@H]3CN(c4ncc(Cl)c(C)c4C#N)C[C@H]3C2)no1 ZINC000372978879 557602442 /nfs/dbraw/zinc/60/24/42/557602442.db2.gz SKNAZNBYTQVEPB-CHWSQXEVSA-N 1 2 372.860 2.429 20 30 FEEDLO C[C@H](NC[C@H](O)C[N@H+](C)CCC#N)c1noc(-c2ccc(Cl)cc2)n1 ZINC000519769742 562143322 /nfs/dbraw/zinc/14/33/22/562143322.db2.gz QBSNMMGTKYHRAJ-WFASDCNBSA-N 1 2 363.849 2.247 20 30 FEEDLO C[C@H](NC[C@H](O)C[N@@H+](C)CCC#N)c1noc(-c2ccc(Cl)cc2)n1 ZINC000519769742 562143323 /nfs/dbraw/zinc/14/33/23/562143323.db2.gz QBSNMMGTKYHRAJ-WFASDCNBSA-N 1 2 363.849 2.247 20 30 FEEDLO C[C@H]([NH2+]C[C@H](O)CN(C)CCC#N)c1noc(-c2ccc(Cl)cc2)n1 ZINC000519769742 562143324 /nfs/dbraw/zinc/14/33/24/562143324.db2.gz QBSNMMGTKYHRAJ-WFASDCNBSA-N 1 2 363.849 2.247 20 30 FEEDLO CC(=O)c1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(n2cnc(C#N)n2)CC1 ZINC000373398092 557686842 /nfs/dbraw/zinc/68/68/42/557686842.db2.gz DSAHXVKXERJTEC-CYBMUJFWSA-N 1 2 366.425 2.016 20 30 FEEDLO C=CC[C@@H](CC)NC(=O)N1CCNC(=O)[C@@H]1c1c(C)[nH+]c2ccccn21 ZINC000373963011 557796997 /nfs/dbraw/zinc/79/69/97/557796997.db2.gz RQICAARXLFLMSQ-PBHICJAKSA-N 1 2 355.442 2.180 20 30 FEEDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)NCCc2cccc(C#N)c2)C1 ZINC000374200007 557842401 /nfs/dbraw/zinc/84/24/01/557842401.db2.gz RUVPRDXVLJRBLC-SFHVURJKSA-N 1 2 351.454 2.499 20 30 FEEDLO CCOC(=O)[C@@H]1C[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)Cc2ccccc21 ZINC000374404989 557879994 /nfs/dbraw/zinc/87/99/94/557879994.db2.gz KRYQGXJCSSHYDZ-YLJYHZDGSA-N 1 2 357.454 2.203 20 30 FEEDLO CCOC(=O)[C@@H]1C[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)Cc2ccccc21 ZINC000374404989 557879996 /nfs/dbraw/zinc/87/99/96/557879996.db2.gz KRYQGXJCSSHYDZ-YLJYHZDGSA-N 1 2 357.454 2.203 20 30 FEEDLO Cc1cccc(Cl)c1NC(=O)C[NH+]1CCC(n2cnc(C#N)n2)CC1 ZINC000375922448 558100328 /nfs/dbraw/zinc/10/03/28/558100328.db2.gz VRJNKUGXFDMHEN-UHFFFAOYSA-N 1 2 358.833 2.387 20 30 FEEDLO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CC[S@](=O)CC[C@H]2C)c(OC)c1 ZINC000375945340 558103781 /nfs/dbraw/zinc/10/37/81/558103781.db2.gz DUYKPWCTHSMHCJ-XVNUGVHUSA-N 1 2 367.511 2.006 20 30 FEEDLO C=CCc1ccc(OC[C@H](O)C[N@H+]2CC[S@](=O)CC[C@H]2C)c(OC)c1 ZINC000375945340 558103783 /nfs/dbraw/zinc/10/37/83/558103783.db2.gz DUYKPWCTHSMHCJ-XVNUGVHUSA-N 1 2 367.511 2.006 20 30 FEEDLO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000376187290 558138463 /nfs/dbraw/zinc/13/84/63/558138463.db2.gz LGXFCKQTTGHPCC-POAQFYNOSA-N 1 2 371.481 2.283 20 30 FEEDLO CC[C@](C)(C#N)C(=O)N1CC[NH+]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000377121994 558270633 /nfs/dbraw/zinc/27/06/33/558270633.db2.gz BCNGXUSLXUOWLX-DNVCBOLYSA-N 1 2 364.490 2.080 20 30 FEEDLO C#CCCS(=O)(=O)N[C@@H]1CC[N@@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000377296812 558308983 /nfs/dbraw/zinc/30/89/83/558308983.db2.gz OWAWHESBVVVIES-GDBMZVCRSA-N 1 2 360.401 2.182 20 30 FEEDLO C#CCCS(=O)(=O)N[C@@H]1CC[N@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000377296812 558308984 /nfs/dbraw/zinc/30/89/84/558308984.db2.gz OWAWHESBVVVIES-GDBMZVCRSA-N 1 2 360.401 2.182 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[NH+]2CCC(Cc3cccnc3)CC2)nc1 ZINC000377488591 558349669 /nfs/dbraw/zinc/34/96/69/558349669.db2.gz BETQCSLKNCIRQB-UHFFFAOYSA-N 1 2 370.478 2.077 20 30 FEEDLO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCc2ccccc2[C@@H]1C(N)=O ZINC000377585016 558371434 /nfs/dbraw/zinc/37/14/34/558371434.db2.gz UPOCRDCOSPULPR-MRXNPFEDSA-N 1 2 354.435 2.033 20 30 FEEDLO N#Cc1ccsc1NC(=O)CC[N@H+]1CCc2ccccc2[C@@H]1C(N)=O ZINC000377585016 558371435 /nfs/dbraw/zinc/37/14/35/558371435.db2.gz UPOCRDCOSPULPR-MRXNPFEDSA-N 1 2 354.435 2.033 20 30 FEEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CCc3nn(CCC)c(=O)cc3C2)c1C ZINC000377837858 558432274 /nfs/dbraw/zinc/43/22/74/558432274.db2.gz RZHWTVKCPYHPLO-UHFFFAOYSA-N 1 2 368.481 2.499 20 30 FEEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CCc3nn(CCC)c(=O)cc3C2)c1C ZINC000377837858 558432276 /nfs/dbraw/zinc/43/22/76/558432276.db2.gz RZHWTVKCPYHPLO-UHFFFAOYSA-N 1 2 368.481 2.499 20 30 FEEDLO C=CCN1C(=O)c2ccc(C(=O)N3CCC(n4cc[nH+]c4)CC3)cc2C1=O ZINC000523163642 562209310 /nfs/dbraw/zinc/20/93/10/562209310.db2.gz YLSVHEDKGWXFFG-UHFFFAOYSA-N 1 2 364.405 2.142 20 30 FEEDLO N#Cc1ccccc1OCC(=O)N(CC[NH+]1CCOCC1)c1ccccc1 ZINC000523312895 562210805 /nfs/dbraw/zinc/21/08/05/562210805.db2.gz YQLHJQNEOWXDGF-UHFFFAOYSA-N 1 2 365.433 2.302 20 30 FEEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000378296927 558522887 /nfs/dbraw/zinc/52/28/87/558522887.db2.gz ZZRBBSDNRVGLCX-CKJXQJPGSA-N 1 2 366.465 2.145 20 30 FEEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000378296927 558522891 /nfs/dbraw/zinc/52/28/91/558522891.db2.gz ZZRBBSDNRVGLCX-CKJXQJPGSA-N 1 2 366.465 2.145 20 30 FEEDLO COc1cc(C#N)ccc1C[N@@H+]1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000378360072 558538818 /nfs/dbraw/zinc/53/88/18/558538818.db2.gz JQRNUAPCTXQESA-HRAATJIYSA-N 1 2 358.401 2.412 20 30 FEEDLO COc1cc(C#N)ccc1C[N@H+]1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000378360072 558538819 /nfs/dbraw/zinc/53/88/19/558538819.db2.gz JQRNUAPCTXQESA-HRAATJIYSA-N 1 2 358.401 2.412 20 30 FEEDLO CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000378464012 558562900 /nfs/dbraw/zinc/56/29/00/558562900.db2.gz BHEXBRLEGFULFS-CQSZACIVSA-N 1 2 368.441 2.183 20 30 FEEDLO Cc1ncc(S(=O)(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1C#N ZINC000383075514 558604902 /nfs/dbraw/zinc/60/49/02/558604902.db2.gz VOJNSZRVUAHZMP-HNNXBMFYSA-N 1 2 370.478 2.157 20 30 FEEDLO Cc1ncc(S(=O)(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1C#N ZINC000383075514 558604905 /nfs/dbraw/zinc/60/49/05/558604905.db2.gz VOJNSZRVUAHZMP-HNNXBMFYSA-N 1 2 370.478 2.157 20 30 FEEDLO C[N@@H+]1CCN(S(=O)(=O)c2ccc(F)c(C#N)c2)[C@@H](c2ccccc2)C1 ZINC000392854831 558619698 /nfs/dbraw/zinc/61/96/98/558619698.db2.gz ALAOLNWNBHGQBT-GOSISDBHSA-N 1 2 359.426 2.375 20 30 FEEDLO C[N@H+]1CCN(S(=O)(=O)c2ccc(F)c(C#N)c2)[C@@H](c2ccccc2)C1 ZINC000392854831 558619699 /nfs/dbraw/zinc/61/96/99/558619699.db2.gz ALAOLNWNBHGQBT-GOSISDBHSA-N 1 2 359.426 2.375 20 30 FEEDLO C[C@H]1CN(S(=O)(=O)c2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000396381787 558623133 /nfs/dbraw/zinc/62/31/33/558623133.db2.gz OEGMFCSEBUKPPO-INIZCTEOSA-N 1 2 355.463 2.453 20 30 FEEDLO C[C@H]1CN(S(=O)(=O)c2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000396381787 558623135 /nfs/dbraw/zinc/62/31/35/558623135.db2.gz OEGMFCSEBUKPPO-INIZCTEOSA-N 1 2 355.463 2.453 20 30 FEEDLO C[C@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000408084466 558644670 /nfs/dbraw/zinc/64/46/70/558644670.db2.gz QFFIJXQAAYPZJU-QWRGUYRKSA-N 1 2 361.389 2.290 20 30 FEEDLO C[C@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000408084466 558644672 /nfs/dbraw/zinc/64/46/72/558644672.db2.gz QFFIJXQAAYPZJU-QWRGUYRKSA-N 1 2 361.389 2.290 20 30 FEEDLO C[C@@H]1C[N@H+](C)[C@H](C)CN1S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000409510745 558699334 /nfs/dbraw/zinc/69/93/34/558699334.db2.gz UEDKJHXPUBCBON-GHMZBOCLSA-N 1 2 361.389 2.290 20 30 FEEDLO C[C@@H]1C[N@@H+](C)[C@H](C)CN1S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000409510745 558699336 /nfs/dbraw/zinc/69/93/36/558699336.db2.gz UEDKJHXPUBCBON-GHMZBOCLSA-N 1 2 361.389 2.290 20 30 FEEDLO C=CCN1CC[C@@H]([NH+]2CCN(Cc3cc(Cl)ccc3OC)CC2)C1=O ZINC000410297368 558750408 /nfs/dbraw/zinc/75/04/08/558750408.db2.gz ANIPHWCWPAGZPT-QGZVFWFLSA-N 1 2 363.889 2.253 20 30 FEEDLO C=CCN1CC[C@@H]([NH+]2CCN(Cc3c(F)cccc3Cl)CC2)C1=O ZINC000410304769 558750579 /nfs/dbraw/zinc/75/05/79/558750579.db2.gz FOZYOWADFFYYJN-QGZVFWFLSA-N 1 2 351.853 2.384 20 30 FEEDLO N#Cc1ccc([C@@H](C(N)=O)[N@@H+]2CC[C@]3(C2)CC(=O)c2ccccc2O3)cc1 ZINC000411976557 558998712 /nfs/dbraw/zinc/99/87/12/558998712.db2.gz DJQLKHMXKXCUBJ-PZJWPPBQSA-N 1 2 361.401 2.195 20 30 FEEDLO N#Cc1ccc([C@@H](C(N)=O)[N@H+]2CC[C@]3(C2)CC(=O)c2ccccc2O3)cc1 ZINC000411976557 558998714 /nfs/dbraw/zinc/99/87/14/558998714.db2.gz DJQLKHMXKXCUBJ-PZJWPPBQSA-N 1 2 361.401 2.195 20 30 FEEDLO N#Cc1cccc(NC(=O)C2CCN(C(=O)CCc3c[nH+]c[nH]3)CC2)c1 ZINC000525998488 562263039 /nfs/dbraw/zinc/26/30/39/562263039.db2.gz WENFCMUYNYRJEP-UHFFFAOYSA-N 1 2 351.410 2.091 20 30 FEEDLO N#Cc1cccc(NC(=O)C2CCN(C(=O)CCc3c[nH]c[nH+]3)CC2)c1 ZINC000525998488 562263040 /nfs/dbraw/zinc/26/30/40/562263040.db2.gz WENFCMUYNYRJEP-UHFFFAOYSA-N 1 2 351.410 2.091 20 30 FEEDLO C=CCn1c(SC[C@@H](O)C[N@H+](C)CCC#N)nnc1-c1ccccc1 ZINC000414100307 559149170 /nfs/dbraw/zinc/14/91/70/559149170.db2.gz RPUUWFBZYODJNB-INIZCTEOSA-N 1 2 357.483 2.430 20 30 FEEDLO C=CCn1c(SC[C@@H](O)C[N@@H+](C)CCC#N)nnc1-c1ccccc1 ZINC000414100307 559149171 /nfs/dbraw/zinc/14/91/71/559149171.db2.gz RPUUWFBZYODJNB-INIZCTEOSA-N 1 2 357.483 2.430 20 30 FEEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCCN(C(=O)CC2CCCC2)CC1 ZINC000527048835 562274579 /nfs/dbraw/zinc/27/45/79/562274579.db2.gz YQLFIGQHWKPMME-INIZCTEOSA-N 1 2 360.502 2.052 20 30 FEEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCCN(C(=O)CC2CCCC2)CC1 ZINC000527048835 562274580 /nfs/dbraw/zinc/27/45/80/562274580.db2.gz YQLFIGQHWKPMME-INIZCTEOSA-N 1 2 360.502 2.052 20 30 FEEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)NCc1[nH+]ccn1CC(C)C ZINC000422346445 559580226 /nfs/dbraw/zinc/58/02/26/559580226.db2.gz BHIAIZOTBNITPC-SFHVURJKSA-N 1 2 368.481 2.459 20 30 FEEDLO C=CCCn1cc(-c2nc([C@@H]3C[N@H+](Cc4ccccc4)CCO3)no2)nn1 ZINC000424216153 559658162 /nfs/dbraw/zinc/65/81/62/559658162.db2.gz SJUGGHGCASYDLD-KRWDZBQOSA-N 1 2 366.425 2.478 20 30 FEEDLO C=CCCn1cc(-c2nc([C@@H]3C[N@@H+](Cc4ccccc4)CCO3)no2)nn1 ZINC000424216153 559658163 /nfs/dbraw/zinc/65/81/63/559658163.db2.gz SJUGGHGCASYDLD-KRWDZBQOSA-N 1 2 366.425 2.478 20 30 FEEDLO C=CCCn1cc(-c2nc([C@H]3C[N@H+](Cc4ccccc4)CCO3)no2)nn1 ZINC000424216156 559658190 /nfs/dbraw/zinc/65/81/90/559658190.db2.gz SJUGGHGCASYDLD-QGZVFWFLSA-N 1 2 366.425 2.478 20 30 FEEDLO C=CCCn1cc(-c2nc([C@H]3C[N@@H+](Cc4ccccc4)CCO3)no2)nn1 ZINC000424216156 559658191 /nfs/dbraw/zinc/65/81/91/559658191.db2.gz SJUGGHGCASYDLD-QGZVFWFLSA-N 1 2 366.425 2.478 20 30 FEEDLO C=CCn1cc(CNC(=O)CCn2c3ccccc3[nH+]c2C2CC2)nn1 ZINC000424906919 559679649 /nfs/dbraw/zinc/67/96/49/559679649.db2.gz HDDYGASRBXRSDZ-UHFFFAOYSA-N 1 2 350.426 2.398 20 30 FEEDLO N#CCN1CCC[C@@H](CNC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000425232538 559692625 /nfs/dbraw/zinc/69/26/25/559692625.db2.gz KJURFCOYDOYYGK-FUHWJXTLSA-N 1 2 351.454 2.283 20 30 FEEDLO Cc1cc(NC[C@@H]2CC(=O)N(C(C)(C)C)[C@H]2c2cnn(C)c2)c(C#N)c[nH+]1 ZINC000425257702 559693697 /nfs/dbraw/zinc/69/36/97/559693697.db2.gz JAPYZYLWWPVZRB-IFXJQAMLSA-N 1 2 366.469 2.217 20 30 FEEDLO COC(=O)Cc1csc(NC(=O)C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)n1 ZINC000425540415 559708540 /nfs/dbraw/zinc/70/85/40/559708540.db2.gz VGODDNXTWBBPKS-LBPRGKRZSA-N 1 2 372.450 2.362 20 30 FEEDLO COC(=O)Cc1csc(NC(=O)C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)n1 ZINC000425540415 559708541 /nfs/dbraw/zinc/70/85/41/559708541.db2.gz VGODDNXTWBBPKS-LBPRGKRZSA-N 1 2 372.450 2.362 20 30 FEEDLO CC[C@@H](C(=O)N(C)CCOCc1ccc(C#N)cc1)[N@@H+]1CCO[C@H](CC)C1 ZINC000426040785 559728227 /nfs/dbraw/zinc/72/82/27/559728227.db2.gz XQZLRNPVEVTKBX-UXHICEINSA-N 1 2 373.497 2.423 20 30 FEEDLO CC[C@@H](C(=O)N(C)CCOCc1ccc(C#N)cc1)[N@H+]1CCO[C@H](CC)C1 ZINC000426040785 559728228 /nfs/dbraw/zinc/72/82/28/559728228.db2.gz XQZLRNPVEVTKBX-UXHICEINSA-N 1 2 373.497 2.423 20 30 FEEDLO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)CNc1cccc(C#N)c1 ZINC000426446616 559734584 /nfs/dbraw/zinc/73/45/84/559734584.db2.gz AFAYJUIBKXSIRP-UHFFFAOYSA-N 1 2 351.332 2.388 20 30 FEEDLO C[C@@H]1CN(S(=O)(=O)c2cccnc2C#N)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000428410028 559775022 /nfs/dbraw/zinc/77/50/22/559775022.db2.gz DEDRVOGMZLPLKT-CVEARBPZSA-N 1 2 370.478 2.237 20 30 FEEDLO C[C@@H]1CN(S(=O)(=O)c2cccnc2C#N)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000428410028 559775023 /nfs/dbraw/zinc/77/50/23/559775023.db2.gz DEDRVOGMZLPLKT-CVEARBPZSA-N 1 2 370.478 2.237 20 30 FEEDLO C[C@@H]1CN(c2cccc(F)c2)CC[N@@H+]1[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000429228710 559793338 /nfs/dbraw/zinc/79/33/38/559793338.db2.gz AULJXTZFVOTZIF-AUUYWEPGSA-N 1 2 352.413 2.434 20 30 FEEDLO C[C@@H]1CN(c2cccc(F)c2)CC[N@H+]1[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000429228710 559793339 /nfs/dbraw/zinc/79/33/39/559793339.db2.gz AULJXTZFVOTZIF-AUUYWEPGSA-N 1 2 352.413 2.434 20 30 FEEDLO C[C@H]1CN(c2ccc(CNC(=O)NCC3(CC#N)CC3)c[nH+]2)C[C@H](C)O1 ZINC000430190650 559815086 /nfs/dbraw/zinc/81/50/86/559815086.db2.gz GVEQYWMKWYRRGA-GJZGRUSLSA-N 1 2 357.458 2.188 20 30 FEEDLO C[C@H]([NH2+]CC(=O)NC1(C#N)CCCCC1)c1ncc(Br)cn1 ZINC000432992615 559869477 /nfs/dbraw/zinc/86/94/77/559869477.db2.gz KBHQNYFOJFYDOG-NSHDSACASA-N 1 2 366.263 2.232 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)CN(C)[C@@H](C)C[NH+]2CCOCC2)c1 ZINC000434698244 559906048 /nfs/dbraw/zinc/90/60/48/559906048.db2.gz DIMUMBMUDCRWCP-IBGZPJMESA-N 1 2 372.513 2.203 20 30 FEEDLO C[C@H](C#N)CN(C(=O)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1)C1CC1 ZINC000441913267 560040799 /nfs/dbraw/zinc/04/07/99/560040799.db2.gz UPJHZFOXWUUFEN-CYBMUJFWSA-N 1 2 351.410 2.176 20 30 FEEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC000442208762 560046041 /nfs/dbraw/zinc/04/60/41/560046041.db2.gz OAKWBKMISHPBBS-LLVKDONJSA-N 1 2 372.347 2.299 20 30 FEEDLO C=C[C@@](C)(CCOC)C(=O)N1CC[C@](C)([NH2+]CC(=O)OC(C)(C)C)C1 ZINC000442838026 560059066 /nfs/dbraw/zinc/05/90/66/560059066.db2.gz OUBSJMFDNGVNBC-OALUTQOASA-N 1 2 354.491 2.138 20 30 FEEDLO N#Cc1cc([N+](=O)[O-])cnc1NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000443498802 560085582 /nfs/dbraw/zinc/08/55/82/560085582.db2.gz MKFZPSZKRQJSAM-UHFFFAOYSA-N 1 2 357.801 2.985 20 30 FEEDLO N#Cc1cc([N+](=O)[O-])cnc1NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000443498802 560085583 /nfs/dbraw/zinc/08/55/83/560085583.db2.gz MKFZPSZKRQJSAM-UHFFFAOYSA-N 1 2 357.801 2.985 20 30 FEEDLO Cn1nc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c2ccccc21 ZINC000527686125 562300248 /nfs/dbraw/zinc/30/02/48/562300248.db2.gz PKEYBTNDFQSAQY-UHFFFAOYSA-N 1 2 359.433 2.403 20 30 FEEDLO CC#CCCNC(=O)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000447152987 560157204 /nfs/dbraw/zinc/15/72/04/560157204.db2.gz BGFBMCHTLQFMMX-UHFFFAOYSA-N 1 2 350.422 2.355 20 30 FEEDLO N#CC1(NC(=O)C[N@@H+]2C[C@@H](c3ccccc3)[C@](F)(CO)C2)CCCCC1 ZINC000451259001 560296597 /nfs/dbraw/zinc/29/65/97/560296597.db2.gz HIUCVVYNACKOMQ-FXAWDEMLSA-N 1 2 359.445 2.129 20 30 FEEDLO N#CC1(NC(=O)C[N@H+]2C[C@@H](c3ccccc3)[C@](F)(CO)C2)CCCCC1 ZINC000451259001 560296598 /nfs/dbraw/zinc/29/65/98/560296598.db2.gz HIUCVVYNACKOMQ-FXAWDEMLSA-N 1 2 359.445 2.129 20 30 FEEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC[C@](O)(C(F)F)C1 ZINC000451427484 560306525 /nfs/dbraw/zinc/30/65/25/560306525.db2.gz JEJXPRBBBVGIJV-SJKOYZFVSA-N 1 2 355.360 2.163 20 30 FEEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CC[C@](O)(C(F)F)C1 ZINC000451427484 560306526 /nfs/dbraw/zinc/30/65/26/560306526.db2.gz JEJXPRBBBVGIJV-SJKOYZFVSA-N 1 2 355.360 2.163 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@@H+]1CCN(CC(F)(F)F)C[C@@H](C)C1 ZINC000451877728 560333802 /nfs/dbraw/zinc/33/38/02/560333802.db2.gz JXTCJVWNMYTNLB-YCPHGPKFSA-N 1 2 362.440 2.245 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@H+]1CCN(CC(F)(F)F)C[C@@H](C)C1 ZINC000451877728 560333803 /nfs/dbraw/zinc/33/38/03/560333803.db2.gz JXTCJVWNMYTNLB-YCPHGPKFSA-N 1 2 362.440 2.245 20 30 FEEDLO N#CCc1cccc(NC(=O)C(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000453574225 560389192 /nfs/dbraw/zinc/38/91/92/560389192.db2.gz KWTFVXVEDJFARF-UHFFFAOYSA-N 1 2 362.433 2.036 20 30 FEEDLO N#CCc1cccc(NC(=O)NCc2ccc(N3CCOCC3)[nH+]c2)c1 ZINC000454341826 560440866 /nfs/dbraw/zinc/44/08/66/560440866.db2.gz LSZYQENIHBYLLL-UHFFFAOYSA-N 1 2 351.410 2.306 20 30 FEEDLO CC(C)(O)C(C)(C)CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000455514165 560485283 /nfs/dbraw/zinc/48/52/83/560485283.db2.gz NCQHKORTLALTFD-UHFFFAOYSA-N 1 2 358.486 2.183 20 30 FEEDLO CCc1ccc(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1OC ZINC000455905923 560499799 /nfs/dbraw/zinc/49/97/99/560499799.db2.gz NHBXUJMSGWKDDW-UHFFFAOYSA-N 1 2 360.458 2.337 20 30 FEEDLO CCn1cc[nH+]c1[C@H](NC(=O)c1cc(C)c(C#N)cn1)C1CCOCC1 ZINC000457782917 560587231 /nfs/dbraw/zinc/58/72/31/560587231.db2.gz JGCDUSQUYOYJRH-QGZVFWFLSA-N 1 2 353.426 2.376 20 30 FEEDLO CCOC(=O)[C@@]1(COC)CCC[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000459434162 560686270 /nfs/dbraw/zinc/68/62/70/560686270.db2.gz MXCHRMYWPLQNQL-SFHVURJKSA-N 1 2 361.398 2.258 20 30 FEEDLO CCOC(=O)[C@@]1(COC)CCC[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000459434162 560686271 /nfs/dbraw/zinc/68/62/71/560686271.db2.gz MXCHRMYWPLQNQL-SFHVURJKSA-N 1 2 361.398 2.258 20 30 FEEDLO C=CCN(Cc1ccccc1)C(=O)C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000459995027 560727306 /nfs/dbraw/zinc/72/73/06/560727306.db2.gz MYRZUUXTUMGMGN-IBGZPJMESA-N 1 2 365.433 2.276 20 30 FEEDLO C[C@@H]1CN(c2ccc(CNC(=O)N[C@@H]3CCC[C@@H]3C#N)c[nH+]2)C[C@H](C)O1 ZINC000461961855 560789896 /nfs/dbraw/zinc/78/98/96/560789896.db2.gz VYMQHWOADBOLQF-YALNPMBYSA-N 1 2 357.458 2.187 20 30 FEEDLO C[C@H](C(=O)Nc1ccc2c(c1)C[N@@H+](CC(N)=O)CC2)c1cccc(C#N)c1 ZINC000462319988 560805674 /nfs/dbraw/zinc/80/56/74/560805674.db2.gz IQXLDISRHLNCBQ-AWEZNQCLSA-N 1 2 362.433 2.144 20 30 FEEDLO C[C@H](C(=O)Nc1ccc2c(c1)C[N@H+](CC(N)=O)CC2)c1cccc(C#N)c1 ZINC000462319988 560805676 /nfs/dbraw/zinc/80/56/76/560805676.db2.gz IQXLDISRHLNCBQ-AWEZNQCLSA-N 1 2 362.433 2.144 20 30 FEEDLO C[C@@H](C(=O)Nc1ccc2c(c1)C[N@@H+](CC(N)=O)CC2)c1cccc(C#N)c1 ZINC000462319989 560805728 /nfs/dbraw/zinc/80/57/28/560805728.db2.gz IQXLDISRHLNCBQ-CQSZACIVSA-N 1 2 362.433 2.144 20 30 FEEDLO C[C@@H](C(=O)Nc1ccc2c(c1)C[N@H+](CC(N)=O)CC2)c1cccc(C#N)c1 ZINC000462319989 560805729 /nfs/dbraw/zinc/80/57/29/560805729.db2.gz IQXLDISRHLNCBQ-CQSZACIVSA-N 1 2 362.433 2.144 20 30 FEEDLO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000467285975 560907850 /nfs/dbraw/zinc/90/78/50/560907850.db2.gz NTSJTJAQXRFBTP-UXLLHSPISA-N 1 2 352.394 2.382 20 30 FEEDLO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000467285975 560907851 /nfs/dbraw/zinc/90/78/51/560907851.db2.gz NTSJTJAQXRFBTP-UXLLHSPISA-N 1 2 352.394 2.382 20 30 FEEDLO CC[C@H]1C[N@H+](CCNC(=O)c2cc(-c3cccc(C#N)c3)no2)CCO1 ZINC000468769373 560938255 /nfs/dbraw/zinc/93/82/55/560938255.db2.gz AZDXOYDMJMAXFP-INIZCTEOSA-N 1 2 354.410 2.054 20 30 FEEDLO CC[C@H]1C[N@@H+](CCNC(=O)c2cc(-c3cccc(C#N)c3)no2)CCO1 ZINC000468769373 560938256 /nfs/dbraw/zinc/93/82/56/560938256.db2.gz AZDXOYDMJMAXFP-INIZCTEOSA-N 1 2 354.410 2.054 20 30 FEEDLO N#C[C@H](CCc1ccccc1)C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000469523004 560957090 /nfs/dbraw/zinc/95/70/90/560957090.db2.gz BRYMYWJBKLVIRY-IBGZPJMESA-N 1 2 364.449 2.307 20 30 FEEDLO CCN1CCN(C(=O)N[C@H](C)c2ccc(C#N)cc2)C[C@H]1c1[nH]cc[nH+]1 ZINC000474236853 561069052 /nfs/dbraw/zinc/06/90/52/561069052.db2.gz YHBCLMQYPYRVMO-PBHICJAKSA-N 1 2 352.442 2.431 20 30 FEEDLO C[C@@H](c1ccccc1Cl)[NH+]1CCN(C(=O)c2cnn(C)c2C#N)CC1 ZINC000474697501 561080768 /nfs/dbraw/zinc/08/07/68/561080768.db2.gz NRKWPEPFXJMZRK-ZDUSSCGKSA-N 1 2 357.845 2.464 20 30 FEEDLO C=CC[N@H+](Cc1c([N+](=O)[O-])ncn1C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000475882247 561107195 /nfs/dbraw/zinc/10/71/95/561107195.db2.gz RLWNGQPMSQHIKY-CYBMUJFWSA-N 1 2 368.401 2.053 20 30 FEEDLO C=CC[N@@H+](Cc1c([N+](=O)[O-])ncn1C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000475882247 561107196 /nfs/dbraw/zinc/10/71/96/561107196.db2.gz RLWNGQPMSQHIKY-CYBMUJFWSA-N 1 2 368.401 2.053 20 30 FEEDLO COc1cc(OC)cc([C@H](NC(=O)NCC(C)(C)C#N)c2[nH+]ccn2C)c1 ZINC000476715935 561126913 /nfs/dbraw/zinc/12/69/13/561126913.db2.gz WLTBJTPREAZGHI-INIZCTEOSA-N 1 2 371.441 2.376 20 30 FEEDLO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000528283415 562320613 /nfs/dbraw/zinc/32/06/13/562320613.db2.gz OCKKHGZAGYJKDI-YIOZNXECSA-N 1 2 356.470 2.197 20 30 FEEDLO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000528283410 562320681 /nfs/dbraw/zinc/32/06/81/562320681.db2.gz OCKKHGZAGYJKDI-OLMMMNRUSA-N 1 2 356.470 2.197 20 30 FEEDLO COC(=O)[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)C1 ZINC000532503477 562479634 /nfs/dbraw/zinc/47/96/34/562479634.db2.gz YMJRWVNSFQSBDV-ZIAGYGMSSA-N 1 2 361.467 2.372 20 30 FEEDLO COC(=O)[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)C1 ZINC000532503477 562479635 /nfs/dbraw/zinc/47/96/35/562479635.db2.gz YMJRWVNSFQSBDV-ZIAGYGMSSA-N 1 2 361.467 2.372 20 30 FEEDLO N#C[C@H](c1ccccc1)N1CC[NH+](Cc2cnc(N3CCCC3)nc2)CC1 ZINC000533255837 562502814 /nfs/dbraw/zinc/50/28/14/562502814.db2.gz SDCZMGZBLJUKSW-HXUWFJFHSA-N 1 2 362.481 2.459 20 30 FEEDLO COC(=O)c1cccc(C[N@@H+]2CCCC[C@H]2CN2CCOCC2)c1C#N ZINC000534470300 562534763 /nfs/dbraw/zinc/53/47/63/562534763.db2.gz QDXVEKUCKMEFRP-KRWDZBQOSA-N 1 2 357.454 2.032 20 30 FEEDLO COC(=O)c1cccc(C[N@H+]2CCCC[C@H]2CN2CCOCC2)c1C#N ZINC000534470300 562534764 /nfs/dbraw/zinc/53/47/64/562534764.db2.gz QDXVEKUCKMEFRP-KRWDZBQOSA-N 1 2 357.454 2.032 20 30 FEEDLO C=CC[C@@H](CC)NC(=O)NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000541977631 562624780 /nfs/dbraw/zinc/62/47/80/562624780.db2.gz VYHJCPNVRPNSNI-GOSISDBHSA-N 1 2 364.534 2.365 20 30 FEEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602854820 568002070 /nfs/dbraw/zinc/00/20/70/568002070.db2.gz DVIQRLLNKHFAGL-IXDOHACOSA-N 1 2 371.460 2.379 20 30 FEEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602854820 568002071 /nfs/dbraw/zinc/00/20/71/568002071.db2.gz DVIQRLLNKHFAGL-IXDOHACOSA-N 1 2 371.460 2.379 20 30 FEEDLO COc1ccc([C@H](NC(=O)C[N@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)C(C)C)cc1 ZINC000602856694 568002518 /nfs/dbraw/zinc/00/25/18/568002518.db2.gz MCIRJXVJVNAORR-LLGFUMIMSA-N 1 2 372.513 2.427 20 30 FEEDLO COc1ccc([C@H](NC(=O)C[N@@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)C(C)C)cc1 ZINC000602856694 568002520 /nfs/dbraw/zinc/00/25/20/568002520.db2.gz MCIRJXVJVNAORR-LLGFUMIMSA-N 1 2 372.513 2.427 20 30 FEEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602858993 568003184 /nfs/dbraw/zinc/00/31/84/568003184.db2.gz DMLQGYSFQCLHAW-VVJOJPPRSA-N 1 2 359.518 2.224 20 30 FEEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602858993 568003185 /nfs/dbraw/zinc/00/31/85/568003185.db2.gz DMLQGYSFQCLHAW-VVJOJPPRSA-N 1 2 359.518 2.224 20 30 FEEDLO C[C@@H]1C[NH+](CC(=O)N(C)c2nc3ccccc3s2)C[C@@H](C)N1CC#N ZINC000602864010 568007813 /nfs/dbraw/zinc/00/78/13/568007813.db2.gz PXEJAYRRVURCDK-ZIAGYGMSSA-N 1 2 357.483 2.177 20 30 FEEDLO C[C@H]1C[NH+](CC(=O)N(C)c2nc3ccccc3s2)C[C@H](C)N1CC#N ZINC000602863999 568007876 /nfs/dbraw/zinc/00/78/76/568007876.db2.gz PXEJAYRRVURCDK-KBPBESRZSA-N 1 2 357.483 2.177 20 30 FEEDLO CN(CCOCc1ccc(C#N)cc1)C(=O)NCCCCn1cc[nH+]c1 ZINC000568318652 568024075 /nfs/dbraw/zinc/02/40/75/568024075.db2.gz WKLHSKJACCDNLS-UHFFFAOYSA-N 1 2 355.442 2.393 20 30 FEEDLO C[N@H+](CC(=O)NCCc1cnn(-c2ccccc2)c1)[C@H]1CCC[C@H]1C#N ZINC000602980441 568036967 /nfs/dbraw/zinc/03/69/67/568036967.db2.gz QCTVNWZTYJAETG-HKUYNNGSSA-N 1 2 351.454 2.155 20 30 FEEDLO C[N@@H+](CC(=O)NCCc1cnn(-c2ccccc2)c1)[C@H]1CCC[C@H]1C#N ZINC000602980441 568036968 /nfs/dbraw/zinc/03/69/68/568036968.db2.gz QCTVNWZTYJAETG-HKUYNNGSSA-N 1 2 351.454 2.155 20 30 FEEDLO CCCOc1cccc(CNC(=O)C[NH+]2C[C@@H](C)N(CC#N)[C@H](C)C2)c1 ZINC000602862388 568049893 /nfs/dbraw/zinc/04/98/93/568049893.db2.gz NPYAAJHXMCNTGE-IAGOWNOFSA-N 1 2 358.486 2.010 20 30 FEEDLO CC(C)[C@@H](C#N)N1CC[NH+](CC(=O)NCCc2ccc(Cl)cc2)CC1 ZINC000609487014 568346617 /nfs/dbraw/zinc/34/66/17/568346617.db2.gz VFDAGYVDHGWMGC-GOSISDBHSA-N 1 2 362.905 2.164 20 30 FEEDLO C=C(CNC(=O)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1)c1ccccc1 ZINC000637147324 568451176 /nfs/dbraw/zinc/45/11/76/568451176.db2.gz JVZLBJLBDFKBHK-FQEVSTJZSA-N 1 2 366.465 2.295 20 30 FEEDLO C=C(CNC(=O)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1)c1ccccc1 ZINC000637147324 568451178 /nfs/dbraw/zinc/45/11/78/568451178.db2.gz JVZLBJLBDFKBHK-FQEVSTJZSA-N 1 2 366.465 2.295 20 30 FEEDLO C#CCOc1cccc(Cl)c1C[N@H+]1CCC[C@@H](S(=O)(=O)N(C)C)C1 ZINC000809688478 674505057 /nfs/dbraw/zinc/50/50/57/674505057.db2.gz KFOXFSDCPXABHL-CQSZACIVSA-N 1 2 370.902 2.208 20 30 FEEDLO C#CCOc1cccc(Cl)c1C[N@@H+]1CCC[C@@H](S(=O)(=O)N(C)C)C1 ZINC000809688478 674505060 /nfs/dbraw/zinc/50/50/60/674505060.db2.gz KFOXFSDCPXABHL-CQSZACIVSA-N 1 2 370.902 2.208 20 30 FEEDLO C=CC[N@@H+](CC(=O)Nc1ccc(O)cc1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000819740199 606158776 /nfs/dbraw/zinc/15/87/76/606158776.db2.gz UDCAJZQUWHQRTP-UHFFFAOYSA-N 1 2 364.409 2.199 20 30 FEEDLO C=CC[N@H+](CC(=O)Nc1ccc(O)cc1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000819740199 606158778 /nfs/dbraw/zinc/15/87/78/606158778.db2.gz UDCAJZQUWHQRTP-UHFFFAOYSA-N 1 2 364.409 2.199 20 30 FEEDLO C#C[C@H]([NH2+]Cc1cn(-c2ccccc2Br)nn1)[C@@H]1CCCO1 ZINC000810153068 674534761 /nfs/dbraw/zinc/53/47/61/674534761.db2.gz MFDGKZHKKQZAAX-HOCLYGCPSA-N 1 2 361.243 2.300 20 30 FEEDLO N#Cc1ccc([C@@H]([NH2+]Cc2cc(Cl)c3c(c2)OCCO3)C(N)=O)cc1 ZINC000609675757 675932185 /nfs/dbraw/zinc/93/21/85/675932185.db2.gz BCFDGBCIGCNXQM-MRXNPFEDSA-N 1 2 357.797 2.299 20 30 FEEDLO C[N@@H+]1CCN(c2ncc(C#N)cc2Cl)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000119784078 671908332 /nfs/dbraw/zinc/90/83/32/671908332.db2.gz SBYNCHQDQHIDDP-CYBMUJFWSA-N 1 2 365.865 2.252 20 30 FEEDLO C[N@H+]1CCN(c2ncc(C#N)cc2Cl)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000119784078 671908335 /nfs/dbraw/zinc/90/83/35/671908335.db2.gz SBYNCHQDQHIDDP-CYBMUJFWSA-N 1 2 365.865 2.252 20 30 FEEDLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)c2ccc(C#N)s2)CC1 ZINC000610519243 675978051 /nfs/dbraw/zinc/97/80/51/675978051.db2.gz IUDJBPNMGVSBNA-UHFFFAOYSA-N 1 2 354.435 2.260 20 30 FEEDLO C#CCSCCNC(=O)N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000172516428 672342434 /nfs/dbraw/zinc/34/24/34/672342434.db2.gz PWDAHABFVCCXJX-INIZCTEOSA-N 1 2 361.511 2.450 20 30 FEEDLO C=CC[C@@H](C)[C@@H](C)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)[nH+]c1 ZINC000679149809 672469212 /nfs/dbraw/zinc/46/92/12/672469212.db2.gz ULWOSENUWYQCIR-HUUCEWRRSA-N 1 2 352.504 2.176 20 30 FEEDLO COc1cccc(F)c1[C@@H](C)[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000588965338 672496396 /nfs/dbraw/zinc/49/63/96/672496396.db2.gz MFNQKOYJKDFMFT-GFCCVEGCSA-N 1 2 363.414 2.225 20 30 FEEDLO C=C(Cl)C[N@H+]1CCC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1 ZINC000186467442 672548854 /nfs/dbraw/zinc/54/88/54/672548854.db2.gz ZDNOOJRUBGWHJJ-AWEZNQCLSA-N 1 2 357.882 2.283 20 30 FEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1 ZINC000186467442 672548858 /nfs/dbraw/zinc/54/88/58/672548858.db2.gz ZDNOOJRUBGWHJJ-AWEZNQCLSA-N 1 2 357.882 2.283 20 30 FEEDLO COC(=O)c1ccc(-c2nc(C[N@@H+]3CC[C@@](O)(CC#N)C3)cs2)cc1 ZINC000592152202 672764558 /nfs/dbraw/zinc/76/45/58/672764558.db2.gz UXSDVPRYZGKRGY-SFHVURJKSA-N 1 2 357.435 2.447 20 30 FEEDLO COC(=O)c1ccc(-c2nc(C[N@H+]3CC[C@@](O)(CC#N)C3)cs2)cc1 ZINC000592152202 672764562 /nfs/dbraw/zinc/76/45/62/672764562.db2.gz UXSDVPRYZGKRGY-SFHVURJKSA-N 1 2 357.435 2.447 20 30 FEEDLO C=C(C)[C@H](CO)[NH+]1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1 ZINC000682533856 672769622 /nfs/dbraw/zinc/76/96/22/672769622.db2.gz FLHVMBZEKSEALE-HNNXBMFYSA-N 1 2 373.280 2.453 20 30 FEEDLO CS(=O)(=O)c1cccc(OCCO[NH+]=C(N)c2ccc(Cl)cc2)c1 ZINC000738289244 673615378 /nfs/dbraw/zinc/61/53/78/673615378.db2.gz MSYKINIWGPSAIH-UHFFFAOYSA-N 1 2 368.842 2.459 20 30 FEEDLO COC(=O)[C@@]1(OC)CC[N@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000599564973 673692245 /nfs/dbraw/zinc/69/22/45/673692245.db2.gz OKLDKZNPWMQMSS-OAHLLOKOSA-N 1 2 353.216 2.085 20 30 FEEDLO COC(=O)[C@@]1(OC)CC[N@@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000599564973 673692247 /nfs/dbraw/zinc/69/22/47/673692247.db2.gz OKLDKZNPWMQMSS-OAHLLOKOSA-N 1 2 353.216 2.085 20 30 FEEDLO COc1ccccc1[C@H](CNS(=O)(=O)CC1(C#N)CCCC1)[NH+](C)C ZINC000546800691 673819688 /nfs/dbraw/zinc/81/96/88/673819688.db2.gz VWRUOWXETDGGFY-INIZCTEOSA-N 1 2 365.499 2.301 20 30 FEEDLO C[C@@H](C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1)n1cnc(C#N)n1 ZINC000547388397 673847699 /nfs/dbraw/zinc/84/76/99/673847699.db2.gz DEUGDQIVSWBLJS-NEPJUHHUSA-N 1 2 359.459 2.038 20 30 FEEDLO C[C@@H](C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1)n1cnc(C#N)n1 ZINC000547388397 673847701 /nfs/dbraw/zinc/84/77/01/673847701.db2.gz DEUGDQIVSWBLJS-NEPJUHHUSA-N 1 2 359.459 2.038 20 30 FEEDLO N#CC[C@H]1CCCN(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)C1 ZINC000601649140 673890989 /nfs/dbraw/zinc/89/09/89/673890989.db2.gz YPUMOMBANQYIKT-OAHLLOKOSA-N 1 2 359.499 2.470 20 30 FEEDLO CO[C@@]1(C(F)(F)F)CCC[N@H+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000614923977 676196747 /nfs/dbraw/zinc/19/67/47/676196747.db2.gz HGSGDIRPZACKGN-INIZCTEOSA-N 1 2 355.360 2.218 20 30 FEEDLO CO[C@@]1(C(F)(F)F)CCC[N@@H+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000614923977 676196749 /nfs/dbraw/zinc/19/67/49/676196749.db2.gz HGSGDIRPZACKGN-INIZCTEOSA-N 1 2 355.360 2.218 20 30 FEEDLO CN(Cc1cccc(C#N)c1)S(=O)(=O)c1cccc2c1CC[N@H+](C)C2 ZINC000603271654 673920466 /nfs/dbraw/zinc/92/04/66/673920466.db2.gz HEUOOMDSXULSGV-UHFFFAOYSA-N 1 2 355.463 2.367 20 30 FEEDLO CN(Cc1cccc(C#N)c1)S(=O)(=O)c1cccc2c1CC[N@@H+](C)C2 ZINC000603271654 673920467 /nfs/dbraw/zinc/92/04/67/673920467.db2.gz HEUOOMDSXULSGV-UHFFFAOYSA-N 1 2 355.463 2.367 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)N[C@H]2CCn3cc[nH+]c3C2)cc1C(F)(F)F ZINC000548623939 673981506 /nfs/dbraw/zinc/98/15/06/673981506.db2.gz OFSJDWQAVMPTGL-NSHDSACASA-N 1 2 370.356 2.067 20 30 FEEDLO C=CC[N@@H+](Cc1ccc(Br)cc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000824606712 675613020 /nfs/dbraw/zinc/61/30/20/675613020.db2.gz WGBLXLWPSVNRGB-CYBMUJFWSA-N 1 2 360.273 2.330 20 30 FEEDLO C=CC[N@H+](Cc1ccc(Br)cc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000824606712 675613022 /nfs/dbraw/zinc/61/30/22/675613022.db2.gz WGBLXLWPSVNRGB-CYBMUJFWSA-N 1 2 360.273 2.330 20 30 FEEDLO COc1ccccc1[C@H](CNS(=O)(=O)c1ccccc1C#N)[NH+](C)C ZINC000603777616 675801385 /nfs/dbraw/zinc/80/13/85/675801385.db2.gz LDGRINPJHUWMDK-INIZCTEOSA-N 1 2 359.451 2.148 20 30 FEEDLO C=CC[C@H]1CC[N@H+](CC(=O)N([C@H]2CCS(=O)(=O)C2)C2CCCCC2)C1 ZINC000625701659 676669270 /nfs/dbraw/zinc/66/92/70/676669270.db2.gz BCXIXQRFEIRQQK-WMZOPIPTSA-N 1 2 368.543 2.233 20 30 FEEDLO C=CC[C@H]1CC[N@@H+](CC(=O)N([C@H]2CCS(=O)(=O)C2)C2CCCCC2)C1 ZINC000625701659 676669272 /nfs/dbraw/zinc/66/92/72/676669272.db2.gz BCXIXQRFEIRQQK-WMZOPIPTSA-N 1 2 368.543 2.233 20 30 FEEDLO C=CCOc1c(Cl)cc(C[N@H+]2CC[C@@H](S(=O)(=O)NC)C2)cc1OC ZINC000628190776 676794304 /nfs/dbraw/zinc/79/43/04/676794304.db2.gz QAJFEVLCMORSDB-CYBMUJFWSA-N 1 2 374.890 2.037 20 30 FEEDLO C=CCOc1c(Cl)cc(C[N@@H+]2CC[C@@H](S(=O)(=O)NC)C2)cc1OC ZINC000628190776 676794307 /nfs/dbraw/zinc/79/43/07/676794307.db2.gz QAJFEVLCMORSDB-CYBMUJFWSA-N 1 2 374.890 2.037 20 30 FEEDLO CC#CC[NH2+]Cc1cn([C@@H](C)C(=O)Nc2nc3ccccc3s2)nn1 ZINC000640824439 677189416 /nfs/dbraw/zinc/18/94/16/677189416.db2.gz HPUASWRCQZUPDH-LBPRGKRZSA-N 1 2 354.439 2.200 20 30 FEEDLO CC#CC[NH2+]Cc1cn(Cc2nc3cc(Br)ccc3[nH]2)nn1 ZINC000641161498 677195860 /nfs/dbraw/zinc/19/58/60/677195860.db2.gz CZCRKVYRDZJBBM-UHFFFAOYSA-N 1 2 359.231 2.078 20 30 FEEDLO C#CC[N@H+](Cc1ccc(F)cc1)[C@H](C)C(=O)NC(=O)NCC(F)(F)F ZINC000839469864 680754652 /nfs/dbraw/zinc/75/46/52/680754652.db2.gz JCUDUDMPRAAHLK-LLVKDONJSA-N 1 2 359.323 2.038 20 30 FEEDLO C#CC[N@@H+](Cc1ccc(F)cc1)[C@H](C)C(=O)NC(=O)NCC(F)(F)F ZINC000839469864 680754654 /nfs/dbraw/zinc/75/46/54/680754654.db2.gz JCUDUDMPRAAHLK-LLVKDONJSA-N 1 2 359.323 2.038 20 30 FEEDLO C[C@H]1CCCC[C@H]1OCCNC(=O)CO[NH+]=C(N)c1ccc(F)cc1 ZINC000762665909 680757666 /nfs/dbraw/zinc/75/76/66/680757666.db2.gz VBDWALJDYSVZNF-XJKSGUPXSA-N 1 2 351.422 2.174 20 30 FEEDLO C=CCC1(NC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)CCCC1 ZINC000663781714 678788483 /nfs/dbraw/zinc/78/84/83/678788483.db2.gz WCXNZZIAMOLQHO-SFHVURJKSA-N 1 2 353.532 2.382 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]12CCC[C@H]1[N@H+](Cc1nnc(C)s1)CC2 ZINC000992184050 680095137 /nfs/dbraw/zinc/09/51/37/680095137.db2.gz VXFWGHGOFMMUAM-BASYENTBSA-N 1 2 362.499 2.051 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]12CCC[C@H]1[N@@H+](Cc1nnc(C)s1)CC2 ZINC000992184050 680095141 /nfs/dbraw/zinc/09/51/41/680095141.db2.gz VXFWGHGOFMMUAM-BASYENTBSA-N 1 2 362.499 2.051 20 30 FEEDLO C[NH+](C)[C@@H](CNS(=O)(=O)c1cccc(F)c1C#N)c1ccsc1 ZINC000750995428 680145934 /nfs/dbraw/zinc/14/59/34/680145934.db2.gz JAMPXMIOSAFSOB-AWEZNQCLSA-N 1 2 353.444 2.340 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1Cc1snnc1C ZINC001024443643 680289667 /nfs/dbraw/zinc/28/96/67/680289667.db2.gz NWHVVCQVWRTYOA-XHSDSOJGSA-N 1 2 364.515 2.298 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1snnc1C ZINC001024443643 680289673 /nfs/dbraw/zinc/28/96/73/680289673.db2.gz NWHVVCQVWRTYOA-XHSDSOJGSA-N 1 2 364.515 2.298 20 30 FEEDLO Cn1c[nH+]cc1CCOC(=O)COc1ccc(C#N)c(Br)c1 ZINC000835324731 680319154 /nfs/dbraw/zinc/31/91/54/680319154.db2.gz SGCKQEHHJFODEG-UHFFFAOYSA-N 1 2 364.199 2.219 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1C[NH+](Cc2cc(F)cc(F)c2)C1 ZINC001031679504 680405877 /nfs/dbraw/zinc/40/58/77/680405877.db2.gz DEFPWJSPGPONKY-MSOLQXFVSA-N 1 2 350.409 2.494 20 30 FEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2OCCO[C@@H]2c2ccccc2)C1 ZINC001033156165 680418710 /nfs/dbraw/zinc/41/87/10/680418710.db2.gz QBNSRFZDZDEHFP-RCCFBDPRSA-N 1 2 364.873 2.428 20 30 FEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2OCCO[C@@H]2c2ccccc2)C1 ZINC001033156165 680418712 /nfs/dbraw/zinc/41/87/12/680418712.db2.gz QBNSRFZDZDEHFP-RCCFBDPRSA-N 1 2 364.873 2.428 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC1CC[NH+]([C@@H](C)c2nnc(C)s2)CC1 ZINC001003651436 680538090 /nfs/dbraw/zinc/53/80/90/680538090.db2.gz DAZQFXNHYVGRJR-GLQYFDAESA-N 1 2 350.488 2.079 20 30 FEEDLO C#CCNC(=S)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000758196242 680561163 /nfs/dbraw/zinc/56/11/63/680561163.db2.gz UATGROMLXQAQHV-UHFFFAOYSA-N 1 2 357.401 2.211 20 30 FEEDLO C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1Nc1nc(Cl)c(C#N)s1 ZINC001043164391 680563829 /nfs/dbraw/zinc/56/38/29/680563829.db2.gz QSTSUVXKWSDDNJ-NXEZZACHSA-N 1 2 364.862 2.283 20 30 FEEDLO N#Cc1sc(N[C@@H]2CCCC[C@H]2NC(=O)Cn2cc[nH+]c2)nc1Cl ZINC001045512138 680632865 /nfs/dbraw/zinc/63/28/65/680632865.db2.gz OAJLSHGQYLGCOJ-GHMZBOCLSA-N 1 2 364.862 2.404 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(OC)ns2)C1 ZINC001007360051 680636811 /nfs/dbraw/zinc/63/68/11/680636811.db2.gz JKCJICMXZODPQQ-BMFZPTHFSA-N 1 2 365.499 2.214 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2cc(OC)ns2)C1 ZINC001007360051 680636815 /nfs/dbraw/zinc/63/68/15/680636815.db2.gz JKCJICMXZODPQQ-BMFZPTHFSA-N 1 2 365.499 2.214 20 30 FEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCO[C@H]2c2ccnn2CC)C1 ZINC001007523444 680646461 /nfs/dbraw/zinc/64/64/61/680646461.db2.gz AGOSEDIFQPHDTC-BFYDXBDKSA-N 1 2 366.893 2.314 20 30 FEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCO[C@H]2c2ccnn2CC)C1 ZINC001007523444 680646463 /nfs/dbraw/zinc/64/64/63/680646463.db2.gz AGOSEDIFQPHDTC-BFYDXBDKSA-N 1 2 366.893 2.314 20 30 FEEDLO Cc1nsc(N[C@H]2C[C@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)c1C#N ZINC001047078656 680657387 /nfs/dbraw/zinc/65/73/87/680657387.db2.gz TYPMAKKIILIVQI-FDYHWXHSSA-N 1 2 356.455 2.157 20 30 FEEDLO Cc1nsc(N[C@H]2C[C@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)c1C#N ZINC001047078656 680657389 /nfs/dbraw/zinc/65/73/89/680657389.db2.gz TYPMAKKIILIVQI-FDYHWXHSSA-N 1 2 356.455 2.157 20 30 FEEDLO N#CCCNC(=O)C[NH+]1CCC(O)(c2ccccc2C(F)(F)F)CC1 ZINC000769831263 680996689 /nfs/dbraw/zinc/99/66/89/680996689.db2.gz VHHZWUCHOBBSQH-UHFFFAOYSA-N 1 2 355.360 2.019 20 30 FEEDLO C#C[C@@H](C)[N@H+](C)CC(=O)N(C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000769961196 681001693 /nfs/dbraw/zinc/00/16/93/681001693.db2.gz PXKOTIUZDZNAKO-GFCCVEGCSA-N 1 2 355.360 2.056 20 30 FEEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)N(C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000769961196 681001694 /nfs/dbraw/zinc/00/16/94/681001694.db2.gz PXKOTIUZDZNAKO-GFCCVEGCSA-N 1 2 355.360 2.056 20 30 FEEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1ccc(I)cc1C ZINC000769962128 681001815 /nfs/dbraw/zinc/00/18/15/681001815.db2.gz BJPGRVZAUSSZED-NSHDSACASA-N 1 2 356.207 2.492 20 30 FEEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1ccc(I)cc1C ZINC000769962128 681001816 /nfs/dbraw/zinc/00/18/16/681001816.db2.gz BJPGRVZAUSSZED-NSHDSACASA-N 1 2 356.207 2.492 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2nnc(C)s2)CC1 ZINC001052388733 681076578 /nfs/dbraw/zinc/07/65/78/681076578.db2.gz KTLYWFDKBKKQLM-XHSDSOJGSA-N 1 2 364.515 2.298 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2nnc(C)s2)CC1 ZINC001052388733 681076580 /nfs/dbraw/zinc/07/65/80/681076580.db2.gz KTLYWFDKBKKQLM-XHSDSOJGSA-N 1 2 364.515 2.298 20 30 FEEDLO N#Cc1sc(N[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)nc1Cl ZINC001056810271 681156821 /nfs/dbraw/zinc/15/68/21/681156821.db2.gz JKJHMGPARXGJCS-OPRDCNLKSA-N 1 2 362.846 2.208 20 30 FEEDLO N#Cc1sc(N[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)nc1Cl ZINC001056810271 681156822 /nfs/dbraw/zinc/15/68/22/681156822.db2.gz JKJHMGPARXGJCS-OPRDCNLKSA-N 1 2 362.846 2.208 20 30 FEEDLO N#Cc1sc(N[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)nc1Cl ZINC001059871051 681187756 /nfs/dbraw/zinc/18/77/56/681187756.db2.gz QORPVKNTKLEXIK-UTINFBMNSA-N 1 2 362.846 2.254 20 30 FEEDLO N#Cc1sc(N[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)nc1Cl ZINC001059871051 681187758 /nfs/dbraw/zinc/18/77/58/681187758.db2.gz QORPVKNTKLEXIK-UTINFBMNSA-N 1 2 362.846 2.254 20 30 FEEDLO NC(=NOCc1ncc(Cl)s1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000774755478 681229200 /nfs/dbraw/zinc/22/92/00/681229200.db2.gz JQBBZMUJXOIUJF-UHFFFAOYSA-N 1 2 366.874 2.466 20 30 FEEDLO O=C(C[NH+]1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)N1CCC1 ZINC000932943791 681332653 /nfs/dbraw/zinc/33/26/53/681332653.db2.gz OQPITZXLDLGORJ-YUMQZZPRSA-N 1 2 366.252 2.322 20 30 FEEDLO C=CCNC(=O)C[NH+]1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932945642 681333199 /nfs/dbraw/zinc/33/31/99/681333199.db2.gz HIKHMANVLZHLLW-HTQZYQBOSA-N 1 2 366.252 2.391 20 30 FEEDLO CN(C)[S@](C)(=O)=NCC1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC000934754872 681622665 /nfs/dbraw/zinc/62/26/65/681622665.db2.gz NKTWJKOEPMHDBN-XMMPIXPASA-N 1 2 352.479 2.484 20 30 FEEDLO COCC[N@H+](CCC#N)C[C@@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1 ZINC000851798344 682138681 /nfs/dbraw/zinc/13/86/81/682138681.db2.gz QUBJUQPCOZJWNM-HNNXBMFYSA-N 1 2 353.463 2.017 20 30 FEEDLO COCC[N@@H+](CCC#N)C[C@@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1 ZINC000851798344 682138685 /nfs/dbraw/zinc/13/86/85/682138685.db2.gz QUBJUQPCOZJWNM-HNNXBMFYSA-N 1 2 353.463 2.017 20 30 FEEDLO C#C[C@H](NC(=O)N1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(Cl)cc1F ZINC000852322666 682260649 /nfs/dbraw/zinc/26/06/49/682260649.db2.gz PCPMTOZKCHKMQG-YOEHRIQHSA-N 1 2 365.836 2.270 20 30 FEEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000852435090 682277513 /nfs/dbraw/zinc/27/75/13/682277513.db2.gz JNQQUNRSHMJXCE-BXUZGUMPSA-N 1 2 362.817 2.065 20 30 FEEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000852435090 682277518 /nfs/dbraw/zinc/27/75/18/682277518.db2.gz JNQQUNRSHMJXCE-BXUZGUMPSA-N 1 2 362.817 2.065 20 30 FEEDLO CCC#C[C@H](C)[NH+]1CCC(n2nncc2I)CC1 ZINC000852533320 682297068 /nfs/dbraw/zinc/29/70/68/682297068.db2.gz XYICONHARVHLGN-NSHDSACASA-N 1 2 358.227 2.322 20 30 FEEDLO C#C[C@H](NC(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1)[C@H]1CCCO1 ZINC000785894211 682335208 /nfs/dbraw/zinc/33/52/08/682335208.db2.gz OLTWYGSAFWVJCJ-ZWKOTPCHSA-N 1 2 361.873 2.178 20 30 FEEDLO C#C[C@H](NC(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1)[C@H]1CCCO1 ZINC000785894211 682335213 /nfs/dbraw/zinc/33/52/13/682335213.db2.gz OLTWYGSAFWVJCJ-ZWKOTPCHSA-N 1 2 361.873 2.178 20 30 FEEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]21 ZINC000972344675 682409023 /nfs/dbraw/zinc/40/90/23/682409023.db2.gz RKQMHGANYHZNMR-ZIAGYGMSSA-N 1 2 364.877 2.180 20 30 FEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2snnc2C)C1 ZINC000972513095 682417961 /nfs/dbraw/zinc/41/79/61/682417961.db2.gz IHKVPFTUAZDLHQ-VYDXJSESSA-N 1 2 364.515 2.251 20 30 FEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2snnc2C)C1 ZINC000972513095 682417966 /nfs/dbraw/zinc/41/79/66/682417966.db2.gz IHKVPFTUAZDLHQ-VYDXJSESSA-N 1 2 364.515 2.251 20 30 FEEDLO C#CCCN(CCOC)C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000854015570 682503590 /nfs/dbraw/zinc/50/35/90/682503590.db2.gz MXEMWFZVAOLXKK-UHFFFAOYSA-N 1 2 363.889 2.379 20 30 FEEDLO C#CCCN(CCOC)C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000854015570 682503592 /nfs/dbraw/zinc/50/35/92/682503592.db2.gz MXEMWFZVAOLXKK-UHFFFAOYSA-N 1 2 363.889 2.379 20 30 FEEDLO N#Cc1ccc(O[C@H]2CC[N@H+](Cn3ccc(-c4nccs4)n3)C2)nc1 ZINC000793607495 682899076 /nfs/dbraw/zinc/89/90/76/682899076.db2.gz QMSPIHCCLJXLSD-AWEZNQCLSA-N 1 2 352.423 2.384 20 30 FEEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](Cn3ccc(-c4nccs4)n3)C2)nc1 ZINC000793607495 682899078 /nfs/dbraw/zinc/89/90/78/682899078.db2.gz QMSPIHCCLJXLSD-AWEZNQCLSA-N 1 2 352.423 2.384 20 30 FEEDLO N#Cc1ccc(OCC(=O)N[C@H]2CCn3c[nH+]cc32)cc1Br ZINC000857977048 682929264 /nfs/dbraw/zinc/92/92/64/682929264.db2.gz QSCQPAUFDHGXEA-ZDUSSCGKSA-N 1 2 361.199 2.157 20 30 FEEDLO N#Cc1cc(F)cc(S(=O)(=O)N2CCC(Nc3cccc[nH+]3)CC2)c1 ZINC000920603500 683355239 /nfs/dbraw/zinc/35/52/39/683355239.db2.gz GNJJGPYBJJKORW-UHFFFAOYSA-N 1 2 360.414 2.358 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)N2CCC(Nc3cccc[nH+]3)CC2)cc1F ZINC000920616835 683356338 /nfs/dbraw/zinc/35/63/38/683356338.db2.gz YEEKGRKBXDMCLU-UHFFFAOYSA-N 1 2 360.414 2.358 20 30 FEEDLO C=CCSc1nc2ccccc2n1C[N@H+]1CC[C@@H](S(C)(=O)=O)C1 ZINC000799947222 683513118 /nfs/dbraw/zinc/51/31/18/683513118.db2.gz CLIDYLMMCJVXQG-CYBMUJFWSA-N 1 2 351.497 2.391 20 30 FEEDLO C=CCSc1nc2ccccc2n1C[N@@H+]1CC[C@@H](S(C)(=O)=O)C1 ZINC000799947222 683513124 /nfs/dbraw/zinc/51/31/24/683513124.db2.gz CLIDYLMMCJVXQG-CYBMUJFWSA-N 1 2 351.497 2.391 20 30 FEEDLO N#CC1(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CCSCC1 ZINC000929474401 683601598 /nfs/dbraw/zinc/60/15/98/683601598.db2.gz UEFZPSGCAKVPPX-QGZVFWFLSA-N 1 2 359.495 2.041 20 30 FEEDLO N#CC1(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CCSCC1 ZINC000929474401 683601601 /nfs/dbraw/zinc/60/16/01/683601601.db2.gz UEFZPSGCAKVPPX-QGZVFWFLSA-N 1 2 359.495 2.041 20 30 FEEDLO Cc1[nH]c(CNc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)[nH+]c1C ZINC000922373972 683709943 /nfs/dbraw/zinc/70/99/43/683709943.db2.gz PYJLKFYJYRWQAR-FXBPSFAMSA-N 1 2 361.471 2.451 20 30 FEEDLO NC(=NOCc1ncccc1Cl)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000863456038 683730160 /nfs/dbraw/zinc/73/01/60/683730160.db2.gz DGOJLIFOORXCFS-UHFFFAOYSA-N 1 2 360.845 2.404 20 30 FEEDLO N#CCc1ccsc1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000864613950 683873477 /nfs/dbraw/zinc/87/34/77/683873477.db2.gz LWACOZRGGCLFTC-QGZVFWFLSA-N 1 2 355.463 2.445 20 30 FEEDLO N#CCc1ccsc1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000864613950 683873481 /nfs/dbraw/zinc/87/34/81/683873481.db2.gz LWACOZRGGCLFTC-QGZVFWFLSA-N 1 2 355.463 2.445 20 30 FEEDLO N#C[C@@H](NC(=O)/C=C/C[NH+]1CCOCC1)c1cccc(Br)c1 ZINC000865079028 683932608 /nfs/dbraw/zinc/93/26/08/683932608.db2.gz ZZJKHAWLSCJXME-FIMWJMCYSA-N 1 2 364.243 2.018 20 30 FEEDLO O=C(/C=C/C[NH+]1CCOCC1)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000866327322 684092441 /nfs/dbraw/zinc/09/24/41/684092441.db2.gz AHERBXKXTSINSK-DUXPYHPUSA-N 1 2 352.356 2.062 20 30 FEEDLO Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000867199019 684224589 /nfs/dbraw/zinc/22/45/89/684224589.db2.gz UHTZXHGAVJKTEV-CYBMUJFWSA-N 1 2 362.430 2.308 20 30 FEEDLO N#Cc1cc(Cl)cc(COC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)c1 ZINC000923773288 684348697 /nfs/dbraw/zinc/34/86/97/684348697.db2.gz HMDQMPVOOWEMHN-SJORKVTESA-N 1 2 364.829 2.135 20 30 FEEDLO C#C[C@H](NC(=O)N[C@H]1Cc2c[nH+]cn2C1)c1ccc(Br)cc1 ZINC000875724628 686071329 /nfs/dbraw/zinc/07/13/29/686071329.db2.gz FYPKLHQHUXDVGN-ZFWWWQNUSA-N 1 2 359.227 2.244 20 30 FEEDLO C#CC[N@@H+](Cc1cc(=O)n2cc(Br)ccc2n1)C1CSC1 ZINC000878912314 686688450 /nfs/dbraw/zinc/68/84/50/686688450.db2.gz COTDUSBPNIDOEF-UHFFFAOYSA-N 1 2 364.268 2.008 20 30 FEEDLO C#CC[N@H+](Cc1cc(=O)n2cc(Br)ccc2n1)C1CSC1 ZINC000878912314 686688454 /nfs/dbraw/zinc/68/84/54/686688454.db2.gz COTDUSBPNIDOEF-UHFFFAOYSA-N 1 2 364.268 2.008 20 30 FEEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Nc1cc(C#N)c(F)cc1F ZINC000880712721 687077429 /nfs/dbraw/zinc/07/74/29/687077429.db2.gz WJGYRFIMDUDRLE-WCQYABFASA-N 1 2 350.369 2.163 20 30 FEEDLO COCC(C)(C)[NH+]1CCN(c2ncc(C#N)cc2Br)CC1 ZINC000882483111 687375602 /nfs/dbraw/zinc/37/56/02/687375602.db2.gz RLAFPGUXYIAHPI-UHFFFAOYSA-N 1 2 353.264 2.263 20 30 FEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000884062560 687781904 /nfs/dbraw/zinc/78/19/04/687781904.db2.gz ULISRGOZHOOHQN-STQMWFEESA-N 1 2 354.859 2.440 20 30 FEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H](C)c1cccc(OC(F)(F)F)c1 ZINC000884172340 687807789 /nfs/dbraw/zinc/80/77/89/687807789.db2.gz SQCQAFORXJZMOP-GWCFXTLKSA-N 1 2 360.332 2.209 20 30 FEEDLO COC(=O)C[N@@H+](Cc1cc(Cl)ccc1O)C[C@H](O)CC1(C#N)CCC1 ZINC000886065056 688198913 /nfs/dbraw/zinc/19/89/13/688198913.db2.gz OLVLYMIWEQSOSC-OAHLLOKOSA-N 1 2 366.845 2.465 20 30 FEEDLO COC(=O)C[N@H+](Cc1cc(Cl)ccc1O)C[C@H](O)CC1(C#N)CCC1 ZINC000886065056 688198915 /nfs/dbraw/zinc/19/89/15/688198915.db2.gz OLVLYMIWEQSOSC-OAHLLOKOSA-N 1 2 366.845 2.465 20 30 FEEDLO N#CC1(C[C@@H](O)C[N@@H+]2C[C@H]3Oc4c(F)ccc(F)c4O[C@H]3C2)CCC1 ZINC000886252225 688219817 /nfs/dbraw/zinc/21/98/17/688219817.db2.gz XRJOMHWWNSKSIR-DFBGVHRSSA-N 1 2 350.365 2.234 20 30 FEEDLO N#CC1(C[C@@H](O)C[N@H+]2C[C@H]3Oc4c(F)ccc(F)c4O[C@H]3C2)CCC1 ZINC000886252225 688219820 /nfs/dbraw/zinc/21/98/20/688219820.db2.gz XRJOMHWWNSKSIR-DFBGVHRSSA-N 1 2 350.365 2.234 20 30 FEEDLO N#CC1(C[C@@H](O)C[NH+]2CC(O)(c3ccc(Br)cc3)C2)CCC1 ZINC000886287398 688225340 /nfs/dbraw/zinc/22/53/40/688225340.db2.gz QRQXYLUHCFEFEL-OAHLLOKOSA-N 1 2 365.271 2.397 20 30 FEEDLO O=C1C=COC2(CC[NH+](Cc3ncc(Br)cc3O)CC2)C1 ZINC000897600004 690046428 /nfs/dbraw/zinc/04/64/28/690046428.db2.gz SPTKPPCYFSNUMR-UHFFFAOYSA-N 1 2 353.216 2.387 20 30 FEEDLO C[N@H+]1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000903208173 690866742 /nfs/dbraw/zinc/86/67/42/690866742.db2.gz BCQRGTTWXJSOOQ-TXEJJXNPSA-N 1 2 359.373 2.044 20 30 FEEDLO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000903208173 690866745 /nfs/dbraw/zinc/86/67/45/690866745.db2.gz BCQRGTTWXJSOOQ-TXEJJXNPSA-N 1 2 359.373 2.044 20 30 FEEDLO C=CCOC(=O)[C@@H]([NH3+])Cc1nc(-c2ccc(F)cc2C(F)(F)F)no1 ZINC000904105249 691003409 /nfs/dbraw/zinc/00/34/09/691003409.db2.gz DKOGWBBWABFQAP-NSHDSACASA-N 1 2 359.279 2.494 20 30 FEEDLO CN(C)C(=O)c1ccc(NC(=O)C[N@H+](C)Cc2cccc(C#N)c2)cc1 ZINC000026325559 539783020 /nfs/dbraw/zinc/78/30/20/539783020.db2.gz BTMBQJAEHFPPQZ-UHFFFAOYSA-N 1 2 350.422 2.331 20 30 FEEDLO CN(C)C(=O)c1ccc(NC(=O)C[N@@H+](C)Cc2cccc(C#N)c2)cc1 ZINC000026325559 539783025 /nfs/dbraw/zinc/78/30/25/539783025.db2.gz BTMBQJAEHFPPQZ-UHFFFAOYSA-N 1 2 350.422 2.331 20 30 FEEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C)CC1 ZINC000800728767 674072425 /nfs/dbraw/zinc/07/24/25/674072425.db2.gz BWSJTDFSXBIDCQ-AWEZNQCLSA-N 1 2 359.861 2.364 20 30 FEEDLO CC(C)CCC[C@H](C)NC(=O)C[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000029446430 539853500 /nfs/dbraw/zinc/85/35/00/539853500.db2.gz KFJYSBURZLIIDM-KRWDZBQOSA-N 1 2 357.502 2.406 20 30 FEEDLO Cc1cccc(C(=O)N2CCC[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)CC2)c1 ZINC000029848798 539866152 /nfs/dbraw/zinc/86/61/52/539866152.db2.gz YLUMVAJZPJSCMZ-OAQYLSRUSA-N 1 2 370.497 2.197 20 30 FEEDLO Cc1cccc(C(=O)N2CCC[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)CC2)c1 ZINC000029848798 539866157 /nfs/dbraw/zinc/86/61/57/539866157.db2.gz YLUMVAJZPJSCMZ-OAQYLSRUSA-N 1 2 370.497 2.197 20 30 FEEDLO N#CC1(C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)CCCC1 ZINC000032614079 539945586 /nfs/dbraw/zinc/94/55/86/539945586.db2.gz VZPONCWMKPKAJW-UHFFFAOYSA-N 1 2 354.454 2.290 20 30 FEEDLO C=CC[N@@H+](CC(=O)NC(=O)N[C@H](C)COC)Cc1ccc(Cl)s1 ZINC000032769723 539951905 /nfs/dbraw/zinc/95/19/05/539951905.db2.gz PIPAERFCXMOLHT-LLVKDONJSA-N 1 2 359.879 2.250 20 30 FEEDLO C=CC[N@H+](CC(=O)NC(=O)N[C@H](C)COC)Cc1ccc(Cl)s1 ZINC000032769723 539951908 /nfs/dbraw/zinc/95/19/08/539951908.db2.gz PIPAERFCXMOLHT-LLVKDONJSA-N 1 2 359.879 2.250 20 30 FEEDLO C=C(C)CSc1nnc([C@H](CC)[NH+](C)C)n1CCN1CCOCC1 ZINC000044172262 540119315 /nfs/dbraw/zinc/11/93/15/540119315.db2.gz NVIKGKPRGHBXGC-HNNXBMFYSA-N 1 2 353.536 2.291 20 30 FEEDLO N#CCc1cccc(C(=O)N2CCN(Cc3cn4ccccc4[nH+]3)CC2)c1 ZINC000045013345 540146541 /nfs/dbraw/zinc/14/65/41/540146541.db2.gz MUAXWFUYRITDGK-UHFFFAOYSA-N 1 2 359.433 2.358 20 30 FEEDLO Cc1nc(CCNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cs1 ZINC000045490028 540215006 /nfs/dbraw/zinc/21/50/06/540215006.db2.gz GQYPGEIPSYBVIR-UHFFFAOYSA-N 1 2 369.494 2.393 20 30 FEEDLO COC(=O)CCCCCNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000045564777 540217327 /nfs/dbraw/zinc/21/73/27/540217327.db2.gz OUXRZACSEQOSQK-UHFFFAOYSA-N 1 2 372.469 2.119 20 30 FEEDLO N#Cc1cccc(CNC(=O)NC[C@@H](c2cccs2)[NH+]2CCOCC2)c1 ZINC000047740477 540326290 /nfs/dbraw/zinc/32/62/90/540326290.db2.gz LSVLHPTYZGUFIQ-KRWDZBQOSA-N 1 2 370.478 2.492 20 30 FEEDLO COc1ccc(C#N)cc1NC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000050108013 540399671 /nfs/dbraw/zinc/39/96/71/540399671.db2.gz WWGFTYHJKHVPFR-UHFFFAOYSA-N 1 2 351.410 2.312 20 30 FEEDLO CCCNC(=O)[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000050996876 540418394 /nfs/dbraw/zinc/41/83/94/540418394.db2.gz FAQZLJQPKOATAC-ZFWWWQNUSA-N 1 2 360.458 2.333 20 30 FEEDLO CCCNC(=O)[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000050996876 540418396 /nfs/dbraw/zinc/41/83/96/540418396.db2.gz FAQZLJQPKOATAC-ZFWWWQNUSA-N 1 2 360.458 2.333 20 30 FEEDLO N#CCCN(CCC#N)C(=O)C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000052872749 540497342 /nfs/dbraw/zinc/49/73/42/540497342.db2.gz CLBHFGPVXJAODD-UHFFFAOYSA-N 1 2 359.861 2.118 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCC[C@H]2C(=O)N(C)C)c1 ZINC000053815878 540556378 /nfs/dbraw/zinc/55/63/78/540556378.db2.gz PXBZIUCBYIIAOM-SFHVURJKSA-N 1 2 356.470 2.103 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H]2C(=O)N(C)C)c1 ZINC000053815878 540556380 /nfs/dbraw/zinc/55/63/80/540556380.db2.gz PXBZIUCBYIIAOM-SFHVURJKSA-N 1 2 356.470 2.103 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3noc4c3CCCC4)CC2)cc1 ZINC000056141807 540706384 /nfs/dbraw/zinc/70/63/84/540706384.db2.gz UHMGWZFGDPLOHB-UHFFFAOYSA-N 1 2 350.422 2.383 20 30 FEEDLO C=CCN(CC(=O)NCC(C)(C)[NH+]1CCOCC1)Cc1ccccc1F ZINC000056312597 540717562 /nfs/dbraw/zinc/71/75/62/540717562.db2.gz UNVMEUQGBCVFAE-UHFFFAOYSA-N 1 2 363.477 2.041 20 30 FEEDLO CCN1C[C@H](C[N@H+](C)CC(=O)N[C@@](C)(C#N)C(C)C)Oc2ccccc21 ZINC000058289107 540837646 /nfs/dbraw/zinc/83/76/46/540837646.db2.gz OWDBCXUFWDJGJM-JXFKEZNVSA-N 1 2 358.486 2.260 20 30 FEEDLO CCN1C[C@H](C[N@@H+](C)CC(=O)N[C@@](C)(C#N)C(C)C)Oc2ccccc21 ZINC000058289107 540837649 /nfs/dbraw/zinc/83/76/49/540837649.db2.gz OWDBCXUFWDJGJM-JXFKEZNVSA-N 1 2 358.486 2.260 20 30 FEEDLO N#Cc1ccc2nc(NCC[NH+]3CCN(C(=O)C4CCC4)CC3)ccc2c1 ZINC000540078773 541025816 /nfs/dbraw/zinc/02/58/16/541025816.db2.gz UGDSSPVHAFICRK-UHFFFAOYSA-N 1 2 363.465 2.463 20 30 FEEDLO COc1ccc(CC(N)=[NH+]OCC(=O)Nc2cc(OC)cc(OC)c2)cc1 ZINC000060455443 541112493 /nfs/dbraw/zinc/11/24/93/541112493.db2.gz JYTDVTKVGKNQDO-UHFFFAOYSA-N 1 2 373.409 2.182 20 30 FEEDLO N#CCCSc1nnc(-c2ccc(F)cc2)n1CC[NH+]1CCOCC1 ZINC000071801952 541772671 /nfs/dbraw/zinc/77/26/71/541772671.db2.gz NEFIAPMFVYBSAC-UHFFFAOYSA-N 1 2 361.446 2.422 20 30 FEEDLO CCN(CC)C(=O)C[N@H+](C)[C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000072557762 541831859 /nfs/dbraw/zinc/83/18/59/541831859.db2.gz HGTPJDMZLOJDHI-WUJZJPHMSA-N 1 2 350.507 2.106 20 30 FEEDLO CCN(CC)C(=O)C[N@@H+](C)[C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000072557762 541831863 /nfs/dbraw/zinc/83/18/63/541831863.db2.gz HGTPJDMZLOJDHI-WUJZJPHMSA-N 1 2 350.507 2.106 20 30 FEEDLO CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000073108345 541919571 /nfs/dbraw/zinc/91/95/71/541919571.db2.gz WRPNTFUTFJWTGA-FUHWJXTLSA-N 1 2 355.486 2.255 20 30 FEEDLO C[C@@H](CC(=O)N(CCC#N)CC[NH+]1CCOCC1)Cc1cccc(F)c1 ZINC000073210767 541929807 /nfs/dbraw/zinc/92/98/07/541929807.db2.gz WEVOOJNRNXUNIE-QGZVFWFLSA-N 1 2 361.461 2.469 20 30 FEEDLO Cc1oc(NC(=O)C[N@H+](C)C[C@@H]2COc3ccccc3O2)c(C#N)c1C ZINC000073271994 541938310 /nfs/dbraw/zinc/93/83/10/541938310.db2.gz GQKJVKDLFRYCSY-CQSZACIVSA-N 1 2 355.394 2.478 20 30 FEEDLO Cc1oc(NC(=O)C[N@@H+](C)C[C@@H]2COc3ccccc3O2)c(C#N)c1C ZINC000073271994 541938313 /nfs/dbraw/zinc/93/83/13/541938313.db2.gz GQKJVKDLFRYCSY-CQSZACIVSA-N 1 2 355.394 2.478 20 30 FEEDLO N#Cc1cccc(CS(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000073793697 542000109 /nfs/dbraw/zinc/00/01/09/542000109.db2.gz RUQQUQXKGAFXOU-UHFFFAOYSA-N 1 2 355.463 2.206 20 30 FEEDLO N#Cc1ccc(F)c(CNC(=O)NCc2ccnc(-n3cc[nH+]c3)c2)c1 ZINC000073964060 542019462 /nfs/dbraw/zinc/01/94/62/542019462.db2.gz FRLRDCSQBDIALT-UHFFFAOYSA-N 1 2 350.357 2.277 20 30 FEEDLO C=CCN1C(=O)c2ccc(C(=O)N3CCC[C@@H](c4[nH]cc[nH+]4)C3)cc2C1=O ZINC000075554514 542187510 /nfs/dbraw/zinc/18/75/10/542187510.db2.gz RGWJHWHYGWLJNC-CQSZACIVSA-N 1 2 364.405 2.212 20 30 FEEDLO CCN(CC)c1ccc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1 ZINC000078346174 542457129 /nfs/dbraw/zinc/45/71/29/542457129.db2.gz AHUSSRVRFJPEBN-UHFFFAOYSA-N 1 2 358.486 2.221 20 30 FEEDLO N#CCOc1ccc(/C=C/C(=O)NCc2cccnc2-n2cc[nH+]c2)cc1 ZINC000079538536 542525349 /nfs/dbraw/zinc/52/53/49/542525349.db2.gz BSHSPDVFUOYTHD-VMPITWQZSA-N 1 2 359.389 2.499 20 30 FEEDLO Cc1cc(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)ccc1N(C)C ZINC000080168126 542571477 /nfs/dbraw/zinc/57/14/77/542571477.db2.gz HTPNJQPZMXRXLI-UHFFFAOYSA-N 1 2 359.474 2.141 20 30 FEEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCc3cc(F)ccc3[C@@H]2C)CC1 ZINC000091580456 542813465 /nfs/dbraw/zinc/81/34/65/542813465.db2.gz NAETUOZOCNKXHK-JXFKEZNVSA-N 1 2 372.488 2.437 20 30 FEEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCc3cc(F)ccc3[C@@H]2C)CC1 ZINC000091580456 542813468 /nfs/dbraw/zinc/81/34/68/542813468.db2.gz NAETUOZOCNKXHK-JXFKEZNVSA-N 1 2 372.488 2.437 20 30 FEEDLO Cc1ccc2[nH+]cc(CN3CCN(Cc4ccc(C#N)cc4)C(=O)C3)n2c1 ZINC000093661439 542937173 /nfs/dbraw/zinc/93/71/73/542937173.db2.gz ISCIKUDMDDYDQL-UHFFFAOYSA-N 1 2 359.433 2.359 20 30 FEEDLO C[C@@H]1C[C@@H](C)CN(C(=O)C[NH+]2CCN(Cc3ccc(F)cc3C#N)CC2)C1 ZINC000103139272 543094390 /nfs/dbraw/zinc/09/43/90/543094390.db2.gz NPVVDIHRHCJYEN-IAGOWNOFSA-N 1 2 372.488 2.319 20 30 FEEDLO N#CCSc1ccccc1NC(=O)C[NH+]1CCC(n2cncn2)CC1 ZINC000103472055 543109256 /nfs/dbraw/zinc/10/92/56/543109256.db2.gz UYNDFUUVLIDHFE-UHFFFAOYSA-N 1 2 356.455 2.169 20 30 FEEDLO CCOc1cccc(N2CC[NH+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC2)n1 ZINC000106873564 543252394 /nfs/dbraw/zinc/25/23/94/543252394.db2.gz ALXWAOLULZJRQD-JXFKEZNVSA-N 1 2 373.501 2.045 20 30 FEEDLO C=CCCO[C@@H](C)C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000109234910 543318938 /nfs/dbraw/zinc/31/89/38/543318938.db2.gz VHLUZQLIGZLDEW-INIZCTEOSA-N 1 2 359.470 2.187 20 30 FEEDLO N#C[C@H]1CN(C(=O)c2ccnc(-n3cc[nH+]c3)c2)CCN1Cc1ccccc1 ZINC000114441357 543516597 /nfs/dbraw/zinc/51/65/97/543516597.db2.gz MJOUNSQYUQBPJA-IBGZPJMESA-N 1 2 372.432 2.117 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@H]1C[C@H]1c1c(F)cccc1F ZINC000116185114 543603080 /nfs/dbraw/zinc/60/30/80/543603080.db2.gz KDRIAFKKQLTOIT-CABCVRRESA-N 1 2 363.408 2.143 20 30 FEEDLO C=CCOc1ccccc1C[N@@H+](CCCOC)[C@@H]1CCS(=O)(=O)C1 ZINC000120148533 543676421 /nfs/dbraw/zinc/67/64/21/543676421.db2.gz KNJQCMRHCKSIAL-QGZVFWFLSA-N 1 2 353.484 2.277 20 30 FEEDLO C=CCOc1ccccc1C[N@H+](CCCOC)[C@@H]1CCS(=O)(=O)C1 ZINC000120148533 543676425 /nfs/dbraw/zinc/67/64/25/543676425.db2.gz KNJQCMRHCKSIAL-QGZVFWFLSA-N 1 2 353.484 2.277 20 30 FEEDLO Cc1ccc(CC[NH+]2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 ZINC000123688573 543777374 /nfs/dbraw/zinc/77/73/74/543777374.db2.gz OEVIUHCAOVYLRP-UHFFFAOYSA-N 1 2 369.490 2.416 20 30 FEEDLO Cc1noc(CN2CC[NH+](Cc3cccc(OCCCC#N)c3)CC2)n1 ZINC000125323369 543875305 /nfs/dbraw/zinc/87/53/05/543875305.db2.gz ZHTOVEVQLGMFFZ-UHFFFAOYSA-N 1 2 355.442 2.378 20 30 FEEDLO C=CCc1ccccc1OC[C@H](O)C[NH+]1CCN(c2nc(C)ns2)CC1 ZINC000126699669 543951145 /nfs/dbraw/zinc/95/11/45/543951145.db2.gz WIZHOVGLCQKHHL-QGZVFWFLSA-N 1 2 374.510 2.137 20 30 FEEDLO C=CCNC(=O)C[NH+]1CCN(Cc2cccc(Br)c2C)CC1 ZINC000130952484 544171704 /nfs/dbraw/zinc/17/17/04/544171704.db2.gz IKDFDOVSQHJBRY-UHFFFAOYSA-N 1 2 366.303 2.177 20 30 FEEDLO C=CCNC(=O)CN1CC[NH+](Cc2cccc(Br)c2C)CC1 ZINC000130952484 544171706 /nfs/dbraw/zinc/17/17/06/544171706.db2.gz IKDFDOVSQHJBRY-UHFFFAOYSA-N 1 2 366.303 2.177 20 30 FEEDLO C=CCN1C(=O)c2ccc(C(=O)NCc3[nH+]ccn3CC(C)C)cc2C1=O ZINC000131521648 544193849 /nfs/dbraw/zinc/19/38/49/544193849.db2.gz BSUMWQFKXZPKBT-UHFFFAOYSA-N 1 2 366.421 2.251 20 30 FEEDLO Cc1ccccc1Cc1nnc(CN(CCC#N)CC[NH+]2CCOCC2)o1 ZINC000131522875 544194209 /nfs/dbraw/zinc/19/42/09/544194209.db2.gz PKWUKVLYPLPCTA-UHFFFAOYSA-N 1 2 369.469 2.017 20 30 FEEDLO C[C@@H]1C[C@@H](C)CN(C(=O)C[NH+]2CCN(CC#Cc3ccc(F)cc3)CC2)C1 ZINC000132492674 544233049 /nfs/dbraw/zinc/23/30/49/544233049.db2.gz QZEHESUEACKOOD-RTBURBONSA-N 1 2 371.500 2.299 20 30 FEEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)CNc1ccc(C#N)cc1 ZINC000134667248 544317907 /nfs/dbraw/zinc/31/79/07/544317907.db2.gz RQIFIGGYWYATQR-UHFFFAOYSA-N 1 2 351.410 2.149 20 30 FEEDLO O=S(=O)([C@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C1)N1CCCC1 ZINC000135164377 544336717 /nfs/dbraw/zinc/33/67/17/544336717.db2.gz UAGMLTQGXFWGAV-INIZCTEOSA-N 1 2 352.887 2.191 20 30 FEEDLO O=S(=O)([C@H]1CC[N@H+](CC#Cc2ccccc2Cl)C1)N1CCCC1 ZINC000135164377 544336718 /nfs/dbraw/zinc/33/67/18/544336718.db2.gz UAGMLTQGXFWGAV-INIZCTEOSA-N 1 2 352.887 2.191 20 30 FEEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CCC[C@H](Oc2ccc(Cl)cn2)C1)C1CC1 ZINC000135334795 544342557 /nfs/dbraw/zinc/34/25/57/544342557.db2.gz PJFOCYXAEKGISZ-MAUKXSAKSA-N 1 2 362.861 2.387 20 30 FEEDLO C[C@](C#N)(NC(=O)C[N@H+]1CCC[C@H](Oc2ccc(Cl)cn2)C1)C1CC1 ZINC000135334795 544342560 /nfs/dbraw/zinc/34/25/60/544342560.db2.gz PJFOCYXAEKGISZ-MAUKXSAKSA-N 1 2 362.861 2.387 20 30 FEEDLO CCOc1cc(C[NH+]2CCC(C#N)CC2)nc2nc(C(F)(F)F)nn21 ZINC000136901844 544381001 /nfs/dbraw/zinc/38/10/01/544381001.db2.gz NUQBEDOZAGMUMZ-UHFFFAOYSA-N 1 2 354.336 2.277 20 30 FEEDLO N#Cc1cccc(NCC(=O)NC[C@@H](c2cccs2)[NH+]2CCOCC2)c1 ZINC000151143911 544510095 /nfs/dbraw/zinc/51/00/95/544510095.db2.gz RSIUMOWZLINYFR-KRWDZBQOSA-N 1 2 370.478 2.221 20 30 FEEDLO CC[C@@H]1C[N@@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CCN1CC(F)F ZINC000153634370 544802188 /nfs/dbraw/zinc/80/21/88/544802188.db2.gz XKOPGWBKKOWMGH-NVXWUHKLSA-N 1 2 362.424 2.325 20 30 FEEDLO CC[C@@H]1C[N@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CCN1CC(F)F ZINC000153634370 544802191 /nfs/dbraw/zinc/80/21/91/544802191.db2.gz XKOPGWBKKOWMGH-NVXWUHKLSA-N 1 2 362.424 2.325 20 30 FEEDLO N#Cc1ccc(CN2CC[NH+](CC(=O)NC3CCCCC3)CC2)cc1F ZINC000192100073 328299709 /nfs/dbraw/zinc/29/97/09/328299709.db2.gz BREZSMSIFOIXGQ-UHFFFAOYSA-N 1 2 358.461 2.264 20 30 FEEDLO Cc1cc(C#N)ccc1S(=O)(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000077373790 324988603 /nfs/dbraw/zinc/98/86/03/324988603.db2.gz BRUHIEAQBLRMSP-UHFFFAOYSA-N 1 2 356.451 2.340 20 30 FEEDLO N#Cc1cccc(OCC[NH+]2CCN(C(=O)c3ccccc3O)CC2)c1 ZINC000080930467 325148592 /nfs/dbraw/zinc/14/85/92/325148592.db2.gz CBAJECQKQNJOSU-UHFFFAOYSA-N 1 2 351.406 2.101 20 30 FEEDLO Cc1cccc([C@@H](CNC(=O)c2cc(C#N)cn2C)[NH+]2CCOCC2)c1 ZINC000081019441 325154588 /nfs/dbraw/zinc/15/45/88/325154588.db2.gz WCNSYLZNDPHPEU-LJQANCHMSA-N 1 2 352.438 2.009 20 30 FEEDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)c3cc(C#N)cn3C)CC2)c1 ZINC000081748518 325195030 /nfs/dbraw/zinc/19/50/30/325195030.db2.gz LETVIWIJRJWYEA-HNNXBMFYSA-N 1 2 352.438 2.424 20 30 FEEDLO C[C@@H]1CCC[C@H](NC(=O)CN2CC[NH+](Cc3cc(C#N)cs3)CC2)C1 ZINC000093053555 325432525 /nfs/dbraw/zinc/43/25/25/325432525.db2.gz NVPNBEZLDPJPRM-WBVHZDCISA-N 1 2 360.527 2.432 20 30 FEEDLO N#Cc1cc(NC(=O)NCc2ccc[nH+]c2N2CCOCC2)ccc1F ZINC000102954595 325502183 /nfs/dbraw/zinc/50/21/83/325502183.db2.gz LDZHFDJHLJXOOE-UHFFFAOYSA-N 1 2 355.373 2.251 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)cn1 ZINC000107310863 325624481 /nfs/dbraw/zinc/62/44/81/325624481.db2.gz RJJVYCSOQJUGRW-UHFFFAOYSA-N 1 2 371.466 2.207 20 30 FEEDLO COc1cc(C#N)ccc1OCC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000119158756 326132575 /nfs/dbraw/zinc/13/25/75/326132575.db2.gz XQVDUQURKXTRNU-MRXNPFEDSA-N 1 2 368.437 2.160 20 30 FEEDLO N#Cc1ccccc1S(=O)(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000119248942 326141663 /nfs/dbraw/zinc/14/16/63/326141663.db2.gz BVNRGHRCGBUUAK-UHFFFAOYSA-N 1 2 352.419 2.282 20 30 FEEDLO C[C@@H]1C[C@@H](C)CN(C(=O)CN2CC[NH+](Cc3ccc(C#N)s3)CC2)C1 ZINC000121406797 326336429 /nfs/dbraw/zinc/33/64/29/326336429.db2.gz DRYITSXSSAEHNC-HZPDHXFCSA-N 1 2 360.527 2.242 20 30 FEEDLO N#Cc1cccnc1N1CC[NH+](Cc2cccc3c2OCCCO3)CC1 ZINC000122903412 326413366 /nfs/dbraw/zinc/41/33/66/326413366.db2.gz QJJPTFAQIKGSIL-UHFFFAOYSA-N 1 2 350.422 2.437 20 30 FEEDLO CC(C)Cn1cc[nH+]c1CNC(=O)C(=O)Nc1cc(C#N)ccc1Cl ZINC000155850307 326807919 /nfs/dbraw/zinc/80/79/19/326807919.db2.gz LDDOANGMYMMZJY-UHFFFAOYSA-N 1 2 359.817 2.319 20 30 FEEDLO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCO[C@H](c3cccc(O)c3)C2)cc1 ZINC000164256702 327067267 /nfs/dbraw/zinc/06/72/67/327067267.db2.gz QDNBWLAMDHSURB-ICSRJNTNSA-N 1 2 354.406 2.077 20 30 FEEDLO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCO[C@H](c3cccc(O)c3)C2)cc1 ZINC000164256702 327067268 /nfs/dbraw/zinc/06/72/68/327067268.db2.gz QDNBWLAMDHSURB-ICSRJNTNSA-N 1 2 354.406 2.077 20 30 FEEDLO N#Cc1ccc(C(=O)NCC(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)cc1 ZINC000171114541 327119175 /nfs/dbraw/zinc/11/91/75/327119175.db2.gz GRWZGMSAKQOGBM-UHFFFAOYSA-N 1 2 363.352 2.252 20 30 FEEDLO N#Cc1ccc(-c2nnc(C[NH+]3CCC(NC(=O)C4CC4)CC3)o2)cc1 ZINC000173528853 327264087 /nfs/dbraw/zinc/26/40/87/327264087.db2.gz JPCGSQKXPCCCDG-UHFFFAOYSA-N 1 2 351.410 2.099 20 30 FEEDLO Cc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000177708107 327539676 /nfs/dbraw/zinc/53/96/76/327539676.db2.gz LCQMYZXEQBOAIM-PBHICJAKSA-N 1 2 351.410 2.111 20 30 FEEDLO N#Cc1ccc(NC(=O)CN2CC[NH+](Cc3cccc(O)c3)CC2)cc1 ZINC000177783724 327544924 /nfs/dbraw/zinc/54/49/24/327544924.db2.gz YHFSMBSBWFNZEP-UHFFFAOYSA-N 1 2 350.422 2.020 20 30 FEEDLO COc1ccccc1[C@H]1C[NH2+]CCN1S(=O)(=O)c1ccc(C#N)cc1C ZINC000261641491 328807856 /nfs/dbraw/zinc/80/78/56/328807856.db2.gz GKDPPRDNLXLAHX-QGZVFWFLSA-N 1 2 371.462 2.211 20 30 FEEDLO N#Cc1cccc(-n2ccc(C(=O)NCc3ccc(-n4cc[nH+]c4)nc3)n2)c1 ZINC000367197674 330228698 /nfs/dbraw/zinc/22/86/98/330228698.db2.gz YZJILRSJNCPMAB-UHFFFAOYSA-N 1 2 369.388 2.255 20 30 FEEDLO Cc1[nH]c(C#N)cc1C(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000448614201 330278749 /nfs/dbraw/zinc/27/87/49/330278749.db2.gz QENWDUWKBHXNHV-UHFFFAOYSA-N 1 2 352.442 2.379 20 30 FEEDLO C=CCn1c(SCC(=O)N2CC[NH+](C)CC2)nnc1-c1cccs1 ZINC000155795098 545570959 /nfs/dbraw/zinc/57/09/59/545570959.db2.gz XMAQQJRVVBGILK-UHFFFAOYSA-N 1 2 363.512 2.059 20 30 FEEDLO CSc1[nH]c(=O)c(C(=O)NCc2ccc(C[NH+](C)C)c(F)c2)cc1C#N ZINC000155914023 545583625 /nfs/dbraw/zinc/58/36/25/545583625.db2.gz RYZOJNIMSJAYAE-UHFFFAOYSA-N 1 2 374.441 2.099 20 30 FEEDLO CN(C)c1[nH+]cccc1CNS(=O)(=O)c1ccc(Cl)cc1C#N ZINC000156480094 545630077 /nfs/dbraw/zinc/63/00/77/545630077.db2.gz IYXZSIICHSXPBF-UHFFFAOYSA-N 1 2 350.831 2.151 20 30 FEEDLO N#Cc1ccccc1CN1CC[NH+](CCNC(=O)c2ccccc2F)CC1 ZINC000156557364 545635866 /nfs/dbraw/zinc/63/58/66/545635866.db2.gz YJRJVFJMEPCJLD-UHFFFAOYSA-N 1 2 366.440 2.245 20 30 FEEDLO N#Cc1ccccc1C[NH+]1CCN(CCNC(=O)c2ccccc2F)CC1 ZINC000156557364 545635869 /nfs/dbraw/zinc/63/58/69/545635869.db2.gz YJRJVFJMEPCJLD-UHFFFAOYSA-N 1 2 366.440 2.245 20 30 FEEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+](CCO)[C@H]2CCc3ccccc32)c1 ZINC000156828054 545666044 /nfs/dbraw/zinc/66/60/44/545666044.db2.gz VJHTZUGBCXMNNQ-FQEVSTJZSA-N 1 2 370.474 2.314 20 30 FEEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+](CCO)[C@H]2CCc3ccccc32)c1 ZINC000156828054 545666050 /nfs/dbraw/zinc/66/60/50/545666050.db2.gz VJHTZUGBCXMNNQ-FQEVSTJZSA-N 1 2 370.474 2.314 20 30 FEEDLO C=CCOc1ccccc1CNC(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000477591222 561148724 /nfs/dbraw/zinc/14/87/24/561148724.db2.gz VAFDTJRJSUYSRJ-UHFFFAOYSA-N 1 2 369.469 2.012 20 30 FEEDLO CCCc1ccc([C@@H](C)[N@H+](CC(N)=O)CC(=O)N[C@](C)(C#N)C2CC2)cc1 ZINC000477655358 561150553 /nfs/dbraw/zinc/15/05/53/561150553.db2.gz WYADOFHUYOKNOQ-QVKFZJNVSA-N 1 2 370.497 2.296 20 30 FEEDLO CCCc1ccc([C@@H](C)[N@@H+](CC(N)=O)CC(=O)N[C@](C)(C#N)C2CC2)cc1 ZINC000477655358 561150554 /nfs/dbraw/zinc/15/05/54/561150554.db2.gz WYADOFHUYOKNOQ-QVKFZJNVSA-N 1 2 370.497 2.296 20 30 FEEDLO C=CCn1c(SCC(=O)N2CC[NH+](C)CC2)nnc1-c1ccccc1C ZINC000158108063 545823759 /nfs/dbraw/zinc/82/37/59/545823759.db2.gz AQYZOHCFILSPHR-UHFFFAOYSA-N 1 2 371.510 2.306 20 30 FEEDLO N#Cc1ccc(NC(=O)CN2CC[NH+](Cc3ccncc3)CC2)cc1Cl ZINC000161177601 546107557 /nfs/dbraw/zinc/10/75/57/546107557.db2.gz SRFSFRIEAVHZGV-UHFFFAOYSA-N 1 2 369.856 2.363 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC000162595643 546139707 /nfs/dbraw/zinc/13/97/07/546139707.db2.gz AFPSTMFUASUFBE-JKSUJKDBSA-N 1 2 363.408 2.143 20 30 FEEDLO C[N@@H+]1CC[C@H](NC(=O)N2CCO[C@H](C#N)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000164500872 546150814 /nfs/dbraw/zinc/15/08/14/546150814.db2.gz YUFPTJZYIZZVRH-KCXAZCMYSA-N 1 2 366.824 2.158 20 30 FEEDLO C[N@H+]1CC[C@H](NC(=O)N2CCO[C@H](C#N)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000164500872 546150818 /nfs/dbraw/zinc/15/08/18/546150818.db2.gz YUFPTJZYIZZVRH-KCXAZCMYSA-N 1 2 366.824 2.158 20 30 FEEDLO Cc1cc(C)c(C#N)c(N2CC[NH+](CC(=O)NC3CCCCC3)CC2)n1 ZINC000171366557 546206292 /nfs/dbraw/zinc/20/62/92/546206292.db2.gz NRFIWXDRQJDDAK-UHFFFAOYSA-N 1 2 355.486 2.141 20 30 FEEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C1(C#N)CCOCC1 ZINC000174898326 546304651 /nfs/dbraw/zinc/30/46/51/546304651.db2.gz XTQYNHINQNEZTF-UHFFFAOYSA-N 1 2 356.470 2.467 20 30 FEEDLO C[C@@H]1CCN(S(=O)(=O)Cc2ccc(C#N)cc2F)C[C@@H]1n1cc[nH+]c1 ZINC000480676071 561214172 /nfs/dbraw/zinc/21/41/72/561214172.db2.gz ASGSGDVSQRLJRY-DYVFJYSZSA-N 1 2 362.430 2.307 20 30 FEEDLO CCN(Cc1cccc(F)c1)C(=O)CO[NH+]=C(N)Cc1csc(C)n1 ZINC000177560196 546644424 /nfs/dbraw/zinc/64/44/24/546644424.db2.gz WNEPIDZANHQRRN-UHFFFAOYSA-N 1 2 364.446 2.471 20 30 FEEDLO N#Cc1ccc(NC(=O)C(=O)NCc2ccn3cc[nH+]c3c2)cc1Cl ZINC000178032672 546725989 /nfs/dbraw/zinc/72/59/89/546725989.db2.gz NUOHKPCKTIFOLS-UHFFFAOYSA-N 1 2 353.769 2.114 20 30 FEEDLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)NCC(C)(C)C#N)CC1 ZINC000482359515 561253120 /nfs/dbraw/zinc/25/31/20/561253120.db2.gz GNPMAEWNEVQBJE-UHFFFAOYSA-N 1 2 357.458 2.022 20 30 FEEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN(Cc2nc3ccccc3[nH]2)CC1 ZINC000180995470 547227066 /nfs/dbraw/zinc/22/70/66/547227066.db2.gz QEJQOAODBVPITA-QGZVFWFLSA-N 1 2 369.513 2.494 20 30 FEEDLO CC[N@@H+](CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)C[C@@H](C)C#N ZINC000183169638 547614813 /nfs/dbraw/zinc/61/48/13/547614813.db2.gz HLSRAAZWFBMQNZ-LPHOPBHVSA-N 1 2 371.460 2.016 20 30 FEEDLO CC[N@H+](CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)C[C@@H](C)C#N ZINC000183169638 547614816 /nfs/dbraw/zinc/61/48/16/547614816.db2.gz HLSRAAZWFBMQNZ-LPHOPBHVSA-N 1 2 371.460 2.016 20 30 FEEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCO[C@@]3(CCOC3)C2)c1C ZINC000185207329 547952383 /nfs/dbraw/zinc/95/23/83/547952383.db2.gz JGZKGPPWNQINFD-FQEVSTJZSA-N 1 2 357.454 2.041 20 30 FEEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCO[C@@]3(CCOC3)C2)c1C ZINC000185207329 547952387 /nfs/dbraw/zinc/95/23/87/547952387.db2.gz JGZKGPPWNQINFD-FQEVSTJZSA-N 1 2 357.454 2.041 20 30 FEEDLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C#N)c1ccc(F)cc1 ZINC000485772321 561327607 /nfs/dbraw/zinc/32/76/07/561327607.db2.gz DGVKJBPBLZAKGQ-SJORKVTESA-N 1 2 371.416 2.003 20 30 FEEDLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C#N)c1ccc(F)cc1 ZINC000485772321 561327608 /nfs/dbraw/zinc/32/76/08/561327608.db2.gz DGVKJBPBLZAKGQ-SJORKVTESA-N 1 2 371.416 2.003 20 30 FEEDLO CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC(O)(c2c(F)cccc2F)CC1 ZINC000186496895 548143216 /nfs/dbraw/zinc/14/32/16/548143216.db2.gz KXNHQOMEFFSTDA-CQSZACIVSA-N 1 2 365.424 2.256 20 30 FEEDLO C=CCOCCCC(=O)Nc1ccccc1C[NH+]1CCN(C(C)=O)CC1 ZINC000186622095 548159971 /nfs/dbraw/zinc/15/99/71/548159971.db2.gz ZMGDNTMMPNVHGF-UHFFFAOYSA-N 1 2 359.470 2.272 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C[C@H](O)c1ccc(F)cc1Cl ZINC000187112838 548251371 /nfs/dbraw/zinc/25/13/71/548251371.db2.gz PJBJXHTUVRRMHJ-KRWDZBQOSA-N 1 2 355.841 2.060 20 30 FEEDLO C=CCN(CCOC)C(=O)N[C@H](c1[nH+]ccn1C)c1ccc(OC)cc1 ZINC000190652447 548331031 /nfs/dbraw/zinc/33/10/31/548331031.db2.gz NBKQPGVTORWQOU-KRWDZBQOSA-N 1 2 358.442 2.362 20 30 FEEDLO C=CC[N@@H+](CCOC)Cc1nc2sc(C(=O)OCC)c(C)c2c(N)n1 ZINC000191122492 548340556 /nfs/dbraw/zinc/34/05/56/548340556.db2.gz FAXGTYFIZZXNTB-UHFFFAOYSA-N 1 2 364.471 2.393 20 30 FEEDLO C=CC[N@H+](CCOC)Cc1nc2sc(C(=O)OCC)c(C)c2c(N)n1 ZINC000191122492 548340560 /nfs/dbraw/zinc/34/05/60/548340560.db2.gz FAXGTYFIZZXNTB-UHFFFAOYSA-N 1 2 364.471 2.393 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCCN(C)C(=O)C2)c1 ZINC000191154023 548341905 /nfs/dbraw/zinc/34/19/05/548341905.db2.gz HUAOHEVNTBZLHB-KRWDZBQOSA-N 1 2 356.470 2.103 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CCCN(C)C(=O)C2)c1 ZINC000191154023 548341907 /nfs/dbraw/zinc/34/19/07/548341907.db2.gz HUAOHEVNTBZLHB-KRWDZBQOSA-N 1 2 356.470 2.103 20 30 FEEDLO C=CCSCCNC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000194565843 548499250 /nfs/dbraw/zinc/49/92/50/548499250.db2.gz NYCCRFPRESROFC-GJZGRUSLSA-N 1 2 364.515 2.414 20 30 FEEDLO N#Cc1ccc(CC(=O)NC[C@@H](c2cccs2)[NH+]2CCOCC2)cc1 ZINC000194840073 548538474 /nfs/dbraw/zinc/53/84/74/548538474.db2.gz YQTBJNPRECOQOV-KRWDZBQOSA-N 1 2 355.463 2.352 20 30 FEEDLO Cc1cc(C[NH+]2CCN(CC(=O)N3C[C@H](C)C[C@H](C)C3)CC2)ccc1C#N ZINC000486791640 561356772 /nfs/dbraw/zinc/35/67/72/561356772.db2.gz OBBZFFCKELGDQJ-HDICACEKSA-N 1 2 368.525 2.489 20 30 FEEDLO Cc1cc(CN2CC[NH+](CC(=O)N3C[C@H](C)C[C@H](C)C3)CC2)ccc1C#N ZINC000486791640 561356773 /nfs/dbraw/zinc/35/67/73/561356773.db2.gz OBBZFFCKELGDQJ-HDICACEKSA-N 1 2 368.525 2.489 20 30 FEEDLO CC[C@H]1C[N@@H+]([C@H](C)C(=O)NC2(C#N)CCCCC2)CCN1CC(F)F ZINC000245746553 548987229 /nfs/dbraw/zinc/98/72/29/548987229.db2.gz MZNVYKBUUBJZIL-CABCVRRESA-N 1 2 356.461 2.379 20 30 FEEDLO CC[C@H]1C[N@H+]([C@H](C)C(=O)NC2(C#N)CCCCC2)CCN1CC(F)F ZINC000245746553 548987231 /nfs/dbraw/zinc/98/72/31/548987231.db2.gz MZNVYKBUUBJZIL-CABCVRRESA-N 1 2 356.461 2.379 20 30 FEEDLO CC[N@H+](CC(=O)Nc1cccc(OC)c1)[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000488725828 561395512 /nfs/dbraw/zinc/39/55/12/561395512.db2.gz NENNQQRLTKLFMV-YWZLYKJASA-N 1 2 374.485 2.399 20 30 FEEDLO CC[N@@H+](CC(=O)Nc1cccc(OC)c1)[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000488725828 561395513 /nfs/dbraw/zinc/39/55/13/561395513.db2.gz NENNQQRLTKLFMV-YWZLYKJASA-N 1 2 374.485 2.399 20 30 FEEDLO C=CC[C@H](CO)NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000248546004 549455236 /nfs/dbraw/zinc/45/52/36/549455236.db2.gz DQEVZDBXQYBTDC-DAXOMENPSA-N 1 2 355.841 2.461 20 30 FEEDLO C=CC[C@H](CO)NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000248546004 549455240 /nfs/dbraw/zinc/45/52/40/549455240.db2.gz DQEVZDBXQYBTDC-DAXOMENPSA-N 1 2 355.841 2.461 20 30 FEEDLO COc1cc(/C=C/C(=O)NCc2cn3c([nH+]2)CCCC3)ccc1OCC#N ZINC000263884523 549950706 /nfs/dbraw/zinc/95/07/06/549950706.db2.gz XXAHAWKKTWBMBQ-SOFGYWHQSA-N 1 2 366.421 2.460 20 30 FEEDLO C=CCc1ccc(OC[C@H](O)C[NH2+]C(C)(C)c2noc(C)n2)c(OC)c1 ZINC000264342763 549994603 /nfs/dbraw/zinc/99/46/03/549994603.db2.gz RQMYNZHOEWIWTN-OAHLLOKOSA-N 1 2 361.442 2.380 20 30 FEEDLO C=CC[N@@H+](C[C@H](O)c1ccc(Br)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000264525846 549997097 /nfs/dbraw/zinc/99/70/97/549997097.db2.gz BSWLAQXWPKBCLI-GJZGRUSLSA-N 1 2 374.300 2.158 20 30 FEEDLO C=CC[N@H+](C[C@H](O)c1ccc(Br)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000264525846 549997100 /nfs/dbraw/zinc/99/71/00/549997100.db2.gz BSWLAQXWPKBCLI-GJZGRUSLSA-N 1 2 374.300 2.158 20 30 FEEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000264584794 549998541 /nfs/dbraw/zinc/99/85/41/549998541.db2.gz YTQQQDHGBPGQEH-ZIAGYGMSSA-N 1 2 371.466 2.278 20 30 FEEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+](C)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000264731213 550000062 /nfs/dbraw/zinc/00/00/62/550000062.db2.gz PNCLKLPMEXVSRA-CZUORRHYSA-N 1 2 362.861 2.138 20 30 FEEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+](C)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000264731213 550000065 /nfs/dbraw/zinc/00/00/65/550000065.db2.gz PNCLKLPMEXVSRA-CZUORRHYSA-N 1 2 362.861 2.138 20 30 FEEDLO COc1ccc(C(N)=[NH+]O[C@@H](C)C(=O)Nc2cc(OC)ccc2OC)cc1 ZINC000264983305 550004413 /nfs/dbraw/zinc/00/44/13/550004413.db2.gz RMEGKNMWYZTMKV-LBPRGKRZSA-N 1 2 373.409 2.377 20 30 FEEDLO Cc1cc(N(CCC#N)C(=O)C[N@@H+](C)[C@@H]2CCN(C)C2=O)ccc1Cl ZINC000265646569 550012532 /nfs/dbraw/zinc/01/25/32/550012532.db2.gz MEFFKWQLDDIQTN-MRXNPFEDSA-N 1 2 362.861 2.058 20 30 FEEDLO Cc1cc(N(CCC#N)C(=O)C[N@H+](C)[C@@H]2CCN(C)C2=O)ccc1Cl ZINC000265646569 550012534 /nfs/dbraw/zinc/01/25/34/550012534.db2.gz MEFFKWQLDDIQTN-MRXNPFEDSA-N 1 2 362.861 2.058 20 30 FEEDLO CCN(CCC#N)C(=O)C[NH+]1CCN(c2ccc3ccccc3n2)CC1 ZINC000267300195 550029432 /nfs/dbraw/zinc/02/94/32/550029432.db2.gz JTZAYRMEANKWSD-UHFFFAOYSA-N 1 2 351.454 2.119 20 30 FEEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CC[C@@](F)(C(=O)OC)C1 ZINC000267765010 550034759 /nfs/dbraw/zinc/03/47/59/550034759.db2.gz FYCIYGZKMMFISS-DYVFJYSZSA-N 1 2 354.447 2.238 20 30 FEEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CC[C@@](F)(C(=O)OC)C1 ZINC000267765010 550034760 /nfs/dbraw/zinc/03/47/60/550034760.db2.gz FYCIYGZKMMFISS-DYVFJYSZSA-N 1 2 354.447 2.238 20 30 FEEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1CCCC2(C1)OCCO2 ZINC000270586172 550286778 /nfs/dbraw/zinc/28/67/78/550286778.db2.gz RZCRLQOFQPCIEG-MRXNPFEDSA-N 1 2 373.453 2.169 20 30 FEEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+]1CCCC2(C1)OCCO2 ZINC000270586172 550286779 /nfs/dbraw/zinc/28/67/79/550286779.db2.gz RZCRLQOFQPCIEG-MRXNPFEDSA-N 1 2 373.453 2.169 20 30 FEEDLO C[C@@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@H]1CCCCO1 ZINC000272048702 550418825 /nfs/dbraw/zinc/41/88/25/550418825.db2.gz XLEAKIAUJMJECJ-VQIMIIECSA-N 1 2 356.470 2.343 20 30 FEEDLO COc1cc(C#N)ccc1OCc1nc([C@@H]2C[N@@H+](C(C)C)CCO2)no1 ZINC000272637206 550462202 /nfs/dbraw/zinc/46/22/02/550462202.db2.gz LEXYZWKFBANMHS-INIZCTEOSA-N 1 2 358.398 2.311 20 30 FEEDLO COc1cc(C#N)ccc1OCc1nc([C@@H]2C[N@H+](C(C)C)CCO2)no1 ZINC000272637206 550462203 /nfs/dbraw/zinc/46/22/03/550462203.db2.gz LEXYZWKFBANMHS-INIZCTEOSA-N 1 2 358.398 2.311 20 30 FEEDLO COc1cc(C#N)ccc1OCc1nc([C@H]2C[N@@H+](C(C)C)CCO2)no1 ZINC000272637211 550462265 /nfs/dbraw/zinc/46/22/65/550462265.db2.gz LEXYZWKFBANMHS-MRXNPFEDSA-N 1 2 358.398 2.311 20 30 FEEDLO COc1cc(C#N)ccc1OCc1nc([C@H]2C[N@H+](C(C)C)CCO2)no1 ZINC000272637211 550462266 /nfs/dbraw/zinc/46/22/66/550462266.db2.gz LEXYZWKFBANMHS-MRXNPFEDSA-N 1 2 358.398 2.311 20 30 FEEDLO COc1ccccc1-c1noc([C@@H](C)[NH2+]CC(=O)N[C@](C)(C#N)C(C)C)n1 ZINC000273425639 550497824 /nfs/dbraw/zinc/49/78/24/550497824.db2.gz WKJDUUXEFFMPTL-BFUOFWGJSA-N 1 2 371.441 2.450 20 30 FEEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)NC3CC3)C2)c(Br)c1 ZINC000274021462 550519904 /nfs/dbraw/zinc/51/99/04/550519904.db2.gz PLCPYQNICXUNHU-AWEZNQCLSA-N 1 2 363.259 2.357 20 30 FEEDLO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)NC3CC3)C2)c(Br)c1 ZINC000274021462 550519905 /nfs/dbraw/zinc/51/99/05/550519905.db2.gz PLCPYQNICXUNHU-AWEZNQCLSA-N 1 2 363.259 2.357 20 30 FEEDLO C=C(C)[C@H](NS(=O)(=O)CCC[NH+]1CCOCC1)c1ccc(F)c(F)c1 ZINC000274639212 550547276 /nfs/dbraw/zinc/54/72/76/550547276.db2.gz AOZPTTROVQDBTJ-KRWDZBQOSA-N 1 2 374.453 2.224 20 30 FEEDLO C=C(C)[C@H](NC(=O)NC[C@H]1CN(C)CC[N@@H+]1C)c1ccc(F)c(F)c1 ZINC000274712174 550550210 /nfs/dbraw/zinc/55/02/10/550550210.db2.gz AVDPAPVUSAPBSY-YOEHRIQHSA-N 1 2 352.429 2.127 20 30 FEEDLO C=C(C)[C@H](NC(=O)NC[C@H]1CN(C)CC[N@H+]1C)c1ccc(F)c(F)c1 ZINC000274712174 550550211 /nfs/dbraw/zinc/55/02/11/550550211.db2.gz AVDPAPVUSAPBSY-YOEHRIQHSA-N 1 2 352.429 2.127 20 30 FEEDLO C=CCN(C(=O)C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1)C1CC1 ZINC000276106434 550576832 /nfs/dbraw/zinc/57/68/32/550576832.db2.gz OAIBUGVDTGNXAX-OAHLLOKOSA-N 1 2 357.454 2.195 20 30 FEEDLO C[N@@H+]1CCO[C@H](CN(CC2CC2)C(=O)/C=C/c2ccc(OCC#N)cc2)C1 ZINC000276202275 550577387 /nfs/dbraw/zinc/57/73/87/550577387.db2.gz CRGPGMQCYYLFEK-ZGBFETHSSA-N 1 2 369.465 2.171 20 30 FEEDLO C[N@H+]1CCO[C@H](CN(CC2CC2)C(=O)/C=C/c2ccc(OCC#N)cc2)C1 ZINC000276202275 550577388 /nfs/dbraw/zinc/57/73/88/550577388.db2.gz CRGPGMQCYYLFEK-ZGBFETHSSA-N 1 2 369.465 2.171 20 30 FEEDLO CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000277725995 550706820 /nfs/dbraw/zinc/70/68/20/550706820.db2.gz YOXUODRMZQPLCY-UHFFFAOYSA-N 1 2 356.470 2.343 20 30 FEEDLO N#CCOc1cccc(Cc2nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)c1 ZINC000278250721 550765383 /nfs/dbraw/zinc/76/53/83/550765383.db2.gz ZSEIXMKOXXUELE-DOTOQJQBSA-N 1 2 354.410 2.489 20 30 FEEDLO N#CCOc1cccc(Cc2nc([C@H]3C[N@H+]4CCCC[C@H]4CO3)no2)c1 ZINC000278250721 550765384 /nfs/dbraw/zinc/76/53/84/550765384.db2.gz ZSEIXMKOXXUELE-DOTOQJQBSA-N 1 2 354.410 2.489 20 30 FEEDLO CO[C@]1(C)CCC[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 ZINC000279442683 550890851 /nfs/dbraw/zinc/89/08/51/550890851.db2.gz YSHUYERNJAWERO-LJQANCHMSA-N 1 2 353.426 2.183 20 30 FEEDLO CO[C@]1(C)CCC[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 ZINC000279442683 550890853 /nfs/dbraw/zinc/89/08/53/550890853.db2.gz YSHUYERNJAWERO-LJQANCHMSA-N 1 2 353.426 2.183 20 30 FEEDLO C#CCn1ccc(C[N@@H+](CC)[C@H](C)C(=O)NCc2ccccc2OC)n1 ZINC000279645752 550911996 /nfs/dbraw/zinc/91/19/96/550911996.db2.gz ASMYLIIIKOOWEY-MRXNPFEDSA-N 1 2 354.454 2.052 20 30 FEEDLO C#CCn1ccc(C[N@H+](CC)[C@H](C)C(=O)NCc2ccccc2OC)n1 ZINC000279645752 550911997 /nfs/dbraw/zinc/91/19/97/550911997.db2.gz ASMYLIIIKOOWEY-MRXNPFEDSA-N 1 2 354.454 2.052 20 30 FEEDLO C[C@@H]1OCC[C@]12C[N@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)C[C@@H](C)O2 ZINC000279916725 550942585 /nfs/dbraw/zinc/94/25/85/550942585.db2.gz WBGCJHXHFILRCO-VBHSOAQHSA-N 1 2 363.845 2.418 20 30 FEEDLO C[C@@H]1OCC[C@]12C[N@@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)C[C@@H](C)O2 ZINC000279916725 550942587 /nfs/dbraw/zinc/94/25/87/550942587.db2.gz WBGCJHXHFILRCO-VBHSOAQHSA-N 1 2 363.845 2.418 20 30 FEEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCO[C@]2(CCO[C@H]2C)C1 ZINC000280563240 551007778 /nfs/dbraw/zinc/00/77/78/551007778.db2.gz VBLQTJYPHSGOAW-FHSNZYRGSA-N 1 2 363.845 2.418 20 30 FEEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCO[C@]2(CCO[C@H]2C)C1 ZINC000280563240 551007780 /nfs/dbraw/zinc/00/77/80/551007780.db2.gz VBLQTJYPHSGOAW-FHSNZYRGSA-N 1 2 363.845 2.418 20 30 FEEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000281314353 551083840 /nfs/dbraw/zinc/08/38/40/551083840.db2.gz IOBKFZUKFXOCIQ-WMLDXEAASA-N 1 2 356.382 2.492 20 30 FEEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccc(OC)c(Cl)c2)C1=O ZINC000281323666 551084666 /nfs/dbraw/zinc/08/46/66/551084666.db2.gz LLPOVVQZYIFMPJ-CQSZACIVSA-N 1 2 351.834 2.006 20 30 FEEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)Nc2ccc(OC)c(Cl)c2)C1=O ZINC000281323666 551084667 /nfs/dbraw/zinc/08/46/67/551084667.db2.gz LLPOVVQZYIFMPJ-CQSZACIVSA-N 1 2 351.834 2.006 20 30 FEEDLO CCCCCCCS(=O)(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000281858392 551149378 /nfs/dbraw/zinc/14/93/78/551149378.db2.gz VFENNJSGGDIVDN-UHFFFAOYSA-N 1 2 355.504 2.308 20 30 FEEDLO C=C[C@@H](CC(=O)N1CCC(c2nnc3n2CC[NH2+]C3)CC1)c1ccccc1 ZINC000283015076 551297897 /nfs/dbraw/zinc/29/78/97/551297897.db2.gz OFZSONFCDKVRDP-INIZCTEOSA-N 1 2 365.481 2.447 20 30 FEEDLO CC(C)[NH+]1CCN(S(=O)(=O)c2cccc(Br)c2C#N)CC1 ZINC000283510084 551378833 /nfs/dbraw/zinc/37/88/33/551378833.db2.gz KLOBTWWUJFWRMM-UHFFFAOYSA-N 1 2 372.288 2.035 20 30 FEEDLO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000283814739 551432098 /nfs/dbraw/zinc/43/20/98/551432098.db2.gz JJLXPFZSWIPWPJ-LBPRGKRZSA-N 1 2 366.874 2.318 20 30 FEEDLO NC(=[NH+]OCc1nnc(-c2ccc(Br)o2)o1)[C@@H]1CCCO1 ZINC000284414118 551544159 /nfs/dbraw/zinc/54/41/59/551544159.db2.gz NUIJTXSXBFLXJB-ZETCQYMHSA-N 1 2 357.164 2.060 20 30 FEEDLO C[C@@H](NC(=O)CO[NH+]=C(N)[C@@H]1CCCO1)c1ccc(Br)cc1 ZINC000284475093 551557358 /nfs/dbraw/zinc/55/73/58/551557358.db2.gz RNQZLHCLZSLZLD-MFKMUULPSA-N 1 2 370.247 2.094 20 30 FEEDLO Cc1onc(CC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)c1C#N ZINC000498561282 561528528 /nfs/dbraw/zinc/52/85/28/561528528.db2.gz DZZDOBTVWOJYTJ-YJBOKZPZSA-N 1 2 360.364 2.237 20 30 FEEDLO Cc1onc(CC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)c1C#N ZINC000498561282 561528529 /nfs/dbraw/zinc/52/85/29/561528529.db2.gz DZZDOBTVWOJYTJ-YJBOKZPZSA-N 1 2 360.364 2.237 20 30 FEEDLO C=CCNC(=O)C[N@H+]1CC[C@]2(C)[C@H](C1)C2(Br)Br ZINC000284866169 551653696 /nfs/dbraw/zinc/65/36/96/551653696.db2.gz UVVITCJPSPNTNG-GXSJLCMTSA-N 1 2 366.097 2.117 20 30 FEEDLO C=CCNC(=O)C[N@@H+]1CC[C@]2(C)[C@H](C1)C2(Br)Br ZINC000284866169 551653699 /nfs/dbraw/zinc/65/36/99/551653699.db2.gz UVVITCJPSPNTNG-GXSJLCMTSA-N 1 2 366.097 2.117 20 30 FEEDLO N#CCCCS(=O)(=O)c1ccc(C(=O)NCCNc2cccc[nH+]2)cc1 ZINC000498702626 561532216 /nfs/dbraw/zinc/53/22/16/561532216.db2.gz JGRVBUUUJFFQFG-UHFFFAOYSA-N 1 2 372.450 2.001 20 30 FEEDLO CCOc1cccc(/C=[NH+]/C[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)c1O ZINC000285290481 551732752 /nfs/dbraw/zinc/73/27/52/551732752.db2.gz IVAMHZZZTDJWSN-OOEANYQKSA-N 1 2 354.472 2.318 20 30 FEEDLO Cc1noc([C@H]2CCCN2CC#CC[N@@H+]2CCC[C@H]2c2nc(C)no2)n1 ZINC000285534920 551771066 /nfs/dbraw/zinc/77/10/66/551771066.db2.gz FRQNBNFVPFIUFV-IYBDPMFKSA-N 1 2 356.430 2.047 20 30 FEEDLO Cc1noc([C@H]2CCCN2CC#CC[N@H+]2CCC[C@H]2c2nc(C)no2)n1 ZINC000285534920 551771067 /nfs/dbraw/zinc/77/10/67/551771067.db2.gz FRQNBNFVPFIUFV-IYBDPMFKSA-N 1 2 356.430 2.047 20 30 FEEDLO Cc1noc([C@H]2CCC[N@H+]2CC#CCN2CCC[C@H]2c2nc(C)no2)n1 ZINC000285534920 551771068 /nfs/dbraw/zinc/77/10/68/551771068.db2.gz FRQNBNFVPFIUFV-IYBDPMFKSA-N 1 2 356.430 2.047 20 30 FEEDLO Cc1noc([C@H]2CCC[N@@H+]2CC#CCN2CCC[C@H]2c2nc(C)no2)n1 ZINC000285534920 551771069 /nfs/dbraw/zinc/77/10/69/551771069.db2.gz FRQNBNFVPFIUFV-IYBDPMFKSA-N 1 2 356.430 2.047 20 30 FEEDLO C=CCn1c(=O)c2ccc(C(=O)N[C@H]3CCCC[C@H]3C[NH3+])cc2[nH]c1=S ZINC000285720197 551800824 /nfs/dbraw/zinc/80/08/24/551800824.db2.gz NEYXEFSBUTXCCY-ZFWWWQNUSA-N 1 2 372.494 2.119 20 30 FEEDLO COc1ccccc1O[C@@H]1CCC[N@H+](CC(=O)N[C@](C)(C#N)C2CC2)C1 ZINC000286331180 551875437 /nfs/dbraw/zinc/87/54/37/551875437.db2.gz FYCBNLWBEKZLCO-OXQOHEQNSA-N 1 2 357.454 2.347 20 30 FEEDLO COc1ccccc1O[C@@H]1CCC[N@@H+](CC(=O)N[C@](C)(C#N)C2CC2)C1 ZINC000286331180 551875438 /nfs/dbraw/zinc/87/54/38/551875438.db2.gz FYCBNLWBEKZLCO-OXQOHEQNSA-N 1 2 357.454 2.347 20 30 FEEDLO C=C(CNC(=O)NCc1ccc[nH+]c1N1CCOCC1)c1ccccc1 ZINC000287052731 551957237 /nfs/dbraw/zinc/95/72/37/551957237.db2.gz KGRZHQHCMARZSX-UHFFFAOYSA-N 1 2 352.438 2.431 20 30 FEEDLO Cc1nsc(N2CC[NH+]([C@H](C)C(=O)N3CCCCCC3)CC2)c1C#N ZINC000287489485 552010992 /nfs/dbraw/zinc/01/09/92/552010992.db2.gz UBAKSUYYMXGMDR-OAHLLOKOSA-N 1 2 361.515 2.236 20 30 FEEDLO C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000288185203 552106646 /nfs/dbraw/zinc/10/66/46/552106646.db2.gz OKXOSMRBGQKUDB-IBGZPJMESA-N 1 2 363.465 2.251 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C(=O)Nc2cc(Cl)ccc2OC)C1=O ZINC000500024165 561564367 /nfs/dbraw/zinc/56/43/67/561564367.db2.gz KOHIKOAHQKJXMH-DOMZBBRYSA-N 1 2 365.861 2.394 20 30 FEEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)C(=O)Nc2cc(Cl)ccc2OC)C1=O ZINC000500024165 561564368 /nfs/dbraw/zinc/56/43/68/561564368.db2.gz KOHIKOAHQKJXMH-DOMZBBRYSA-N 1 2 365.861 2.394 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)C1=O ZINC000500021263 561564370 /nfs/dbraw/zinc/56/43/70/561564370.db2.gz VWVZVYBEYICIKO-JXFKEZNVSA-N 1 2 369.509 2.461 20 30 FEEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)C1=O ZINC000500021263 561564371 /nfs/dbraw/zinc/56/43/71/561564371.db2.gz VWVZVYBEYICIKO-JXFKEZNVSA-N 1 2 369.509 2.461 20 30 FEEDLO C=C(C)CN(CC)C(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000289051360 552258584 /nfs/dbraw/zinc/25/85/84/552258584.db2.gz BZYVBDKCLNYJGW-IRXDYDNUSA-N 1 2 365.424 2.251 20 30 FEEDLO C=C(C)CN(CC)C(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000289051360 552258585 /nfs/dbraw/zinc/25/85/85/552258585.db2.gz BZYVBDKCLNYJGW-IRXDYDNUSA-N 1 2 365.424 2.251 20 30 FEEDLO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CC[C@](CO)(c3ccccc3)C2)C1=O ZINC000291604988 552642472 /nfs/dbraw/zinc/64/24/72/552642472.db2.gz CAUJXZSXRQRZPM-XLIONFOSSA-N 1 2 367.474 2.361 20 30 FEEDLO N#Cc1ccsc1N1CC[C@@H]([N@H+]2CC[C@](CO)(c3ccccc3)C2)C1=O ZINC000291604988 552642474 /nfs/dbraw/zinc/64/24/74/552642474.db2.gz CAUJXZSXRQRZPM-XLIONFOSSA-N 1 2 367.474 2.361 20 30 FEEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3nnc(C4CC4)n3C3CC3)C2)nc1 ZINC000292038522 552687193 /nfs/dbraw/zinc/68/71/93/552687193.db2.gz AGSNEHBBBFLIDH-MRXNPFEDSA-N 1 2 350.426 2.410 20 30 FEEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3nnc(C4CC4)n3C3CC3)C2)nc1 ZINC000292038522 552687195 /nfs/dbraw/zinc/68/71/95/552687195.db2.gz AGSNEHBBBFLIDH-MRXNPFEDSA-N 1 2 350.426 2.410 20 30 FEEDLO COc1ccc(C)cc1NC(=O)C[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292086348 552692493 /nfs/dbraw/zinc/69/24/93/552692493.db2.gz DZXHWIZCIPZLCA-INIZCTEOSA-N 1 2 366.421 2.362 20 30 FEEDLO COc1ccc(C)cc1NC(=O)C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292086348 552692494 /nfs/dbraw/zinc/69/24/94/552692494.db2.gz DZXHWIZCIPZLCA-INIZCTEOSA-N 1 2 366.421 2.362 20 30 FEEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](CCS(=O)(=O)Cc3ccccc3)C2)nc1 ZINC000292339183 552717615 /nfs/dbraw/zinc/71/76/15/552717615.db2.gz WXEOTHCREWZRMK-GOSISDBHSA-N 1 2 371.462 2.021 20 30 FEEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](CCS(=O)(=O)Cc3ccccc3)C2)nc1 ZINC000292339183 552717617 /nfs/dbraw/zinc/71/76/17/552717617.db2.gz WXEOTHCREWZRMK-GOSISDBHSA-N 1 2 371.462 2.021 20 30 FEEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](CC(=O)Nc3ccc(F)c(F)c3)C2)nc1 ZINC000292366600 552719930 /nfs/dbraw/zinc/71/99/30/552719930.db2.gz YHPPWIKXGPSMSD-AWEZNQCLSA-N 1 2 358.348 2.323 20 30 FEEDLO N#Cc1ccc(O[C@H]2CC[N@H+](CC(=O)Nc3ccc(F)c(F)c3)C2)nc1 ZINC000292366600 552719932 /nfs/dbraw/zinc/71/99/32/552719932.db2.gz YHPPWIKXGPSMSD-AWEZNQCLSA-N 1 2 358.348 2.323 20 30 FEEDLO Cc1nn2c(C[N@@H+]3CC[C@H](Oc4ccc(C#N)cn4)C3)c(C)nc2s1 ZINC000292730270 552753254 /nfs/dbraw/zinc/75/32/54/552753254.db2.gz GDZGLSOVJHQBMO-AWEZNQCLSA-N 1 2 354.439 2.328 20 30 FEEDLO Cc1nn2c(C[N@H+]3CC[C@H](Oc4ccc(C#N)cn4)C3)c(C)nc2s1 ZINC000292730270 552753256 /nfs/dbraw/zinc/75/32/56/552753256.db2.gz GDZGLSOVJHQBMO-AWEZNQCLSA-N 1 2 354.439 2.328 20 30 FEEDLO COC(=O)N1CCN(c2ccc(Nc3snc(C)c3C#N)c[nH+]2)CC1 ZINC000292816984 552761152 /nfs/dbraw/zinc/76/11/52/552761152.db2.gz OQEFDNIFLCFWMV-UHFFFAOYSA-N 1 2 358.427 2.350 20 30 FEEDLO N#Cc1ccc(OC2CCC(NC(=O)N3CCn4c[nH+]cc4C3)CC2)nc1 ZINC000292908196 552769989 /nfs/dbraw/zinc/76/99/89/552769989.db2.gz JDTPNOZKMXECEQ-UHFFFAOYSA-N 1 2 366.425 2.065 20 30 FEEDLO C=C(C)Cn1c(C)nnc1N1CC[NH+](Cc2cn3ccccc3n2)CC1 ZINC000292935375 552772616 /nfs/dbraw/zinc/77/26/16/552772616.db2.gz KQDHNZHTNGVPPM-UHFFFAOYSA-N 1 2 351.458 2.133 20 30 FEEDLO COc1cc[nH+]cc1CNC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000294939899 552945885 /nfs/dbraw/zinc/94/58/85/552945885.db2.gz LGFIYKOIZMSAIX-UHFFFAOYSA-N 1 2 352.394 2.146 20 30 FEEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](CC(C)(C)C(N)=O)C1 ZINC000295755305 553054697 /nfs/dbraw/zinc/05/46/97/553054697.db2.gz XOHJIVZOZYNHRT-DOTOQJQBSA-N 1 2 357.454 2.386 20 30 FEEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](CC(C)(C)C(N)=O)C1 ZINC000295755305 553054698 /nfs/dbraw/zinc/05/46/98/553054698.db2.gz XOHJIVZOZYNHRT-DOTOQJQBSA-N 1 2 357.454 2.386 20 30 FEEDLO C=CCn1c([C@@H]2CC[C@H](C)O2)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC000295908587 553074433 /nfs/dbraw/zinc/07/44/33/553074433.db2.gz IZXSPIOEBNGEGN-RDJZCZTQSA-N 1 2 372.473 2.323 20 30 FEEDLO C#CC[NH+]1CCN(c2nnc([C@H]3CCCCO3)n2Cc2cccs2)CC1 ZINC000296056139 553096793 /nfs/dbraw/zinc/09/67/93/553096793.db2.gz ROKKGMPNZGKRDX-QGZVFWFLSA-N 1 2 371.510 2.385 20 30 FEEDLO CO[C@@H]1CC[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC1(C)C ZINC000296130113 553109611 /nfs/dbraw/zinc/10/96/11/553109611.db2.gz SFORYTMKZSBPOK-QGZVFWFLSA-N 1 2 367.453 2.429 20 30 FEEDLO CO[C@@H]1CC[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC1(C)C ZINC000296130113 553109613 /nfs/dbraw/zinc/10/96/13/553109613.db2.gz SFORYTMKZSBPOK-QGZVFWFLSA-N 1 2 367.453 2.429 20 30 FEEDLO CC(C)(C)c1cc(C#N)c(NC(=O)C(=O)N2CC[NH+](C3CC3)CC2)s1 ZINC000296204174 553121908 /nfs/dbraw/zinc/12/19/08/553121908.db2.gz DCXLOGKUUXATIH-UHFFFAOYSA-N 1 2 360.483 2.162 20 30 FEEDLO N#Cc1ccc([C@@H](C(N)=O)N2CC[NH+](Cc3cccc(F)c3)CC2)cc1 ZINC000502763556 561624872 /nfs/dbraw/zinc/62/48/72/561624872.db2.gz UGVZDDSLIGRJKG-IBGZPJMESA-N 1 2 352.413 2.042 20 30 FEEDLO N#CC[C@@H]1CC[C@H](NC(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)C1 ZINC000297304579 553275944 /nfs/dbraw/zinc/27/59/44/553275944.db2.gz QNQSNSAGEONFQV-SLFFLAALSA-N 1 2 370.497 2.311 20 30 FEEDLO C=CC[N@H+](Cc1ccc(Cl)s1)[C@H](C)C(=O)N1CCN(C(C)=O)CC1 ZINC000298113265 553385888 /nfs/dbraw/zinc/38/58/88/553385888.db2.gz QMJKVYWODLCRBE-CYBMUJFWSA-N 1 2 369.918 2.469 20 30 FEEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)[C@H](C)C(=O)N1CCN(C(C)=O)CC1 ZINC000298113265 553385890 /nfs/dbraw/zinc/38/58/90/553385890.db2.gz QMJKVYWODLCRBE-CYBMUJFWSA-N 1 2 369.918 2.469 20 30 FEEDLO N#CCc1ccc(NC(=O)NCc2ccc(N3CCOCC3)[nH+]c2)cc1 ZINC000298469386 553428535 /nfs/dbraw/zinc/42/85/35/553428535.db2.gz PXRWVHNBHXYNRM-UHFFFAOYSA-N 1 2 351.410 2.306 20 30 FEEDLO N#Cc1cc(F)ccc1NC(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000298716793 553462998 /nfs/dbraw/zinc/46/29/98/553462998.db2.gz JUVNROGEKCFNOQ-UHFFFAOYSA-N 1 2 355.373 2.251 20 30 FEEDLO CC(C)C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2SCC#N)CC1 ZINC000298782209 553472256 /nfs/dbraw/zinc/47/22/56/553472256.db2.gz YEZRZWKZKQXHEO-UHFFFAOYSA-N 1 2 374.510 2.477 20 30 FEEDLO CC(C)(C)NC(=O)CO[NH+]=C(N)c1ccc(OCc2cccnc2)cc1 ZINC000299316936 553546931 /nfs/dbraw/zinc/54/69/31/553546931.db2.gz AUUISJMNPUNEQE-UHFFFAOYSA-N 1 2 356.426 2.212 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)CCOc1ccccc1Cl ZINC000299500026 553572130 /nfs/dbraw/zinc/57/21/30/553572130.db2.gz GBHGBJXXSFKVOF-UHFFFAOYSA-N 1 2 365.861 2.183 20 30 FEEDLO N#Cc1cc(F)c(NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)c(F)c1 ZINC000301525844 553658723 /nfs/dbraw/zinc/65/87/23/553658723.db2.gz HRNQDDHOSFSBPO-UHFFFAOYSA-N 1 2 371.391 2.382 20 30 FEEDLO N#Cc1cnc2ccccc2c1N1CCN(c2nc[nH+]c(N)c2Cl)CC1 ZINC000302874509 553738726 /nfs/dbraw/zinc/73/87/26/553738726.db2.gz DIXMDMBCUBBISW-UHFFFAOYSA-N 1 2 365.828 2.459 20 30 FEEDLO N#Cc1cnc2ccccc2c1N1CCN(c2[nH+]cnc(N)c2Cl)CC1 ZINC000302874509 553738728 /nfs/dbraw/zinc/73/87/28/553738728.db2.gz DIXMDMBCUBBISW-UHFFFAOYSA-N 1 2 365.828 2.459 20 30 FEEDLO N#Cc1ccc(N2CCC[C@H](NC(=O)c3ccc4[nH+]ccn4c3)C2=O)cc1 ZINC000505667483 561676954 /nfs/dbraw/zinc/67/69/54/561676954.db2.gz ZRBBFVNFEMGTPJ-KRWDZBQOSA-N 1 2 359.389 2.131 20 30 FEEDLO Cc1cc(C(=O)N2CC[NH2+][C@@H](c3ccncc3)C2)nn1-c1cccc(C#N)c1 ZINC000505685777 561677602 /nfs/dbraw/zinc/67/76/02/561677602.db2.gz GPJXXXIBKLHDFP-HXUWFJFHSA-N 1 2 372.432 2.234 20 30 FEEDLO O=C(NC[C@@H]1CCCn2cc[nH+]c21)N[C@@H]1CCO[C@]2(CCSC2)C1 ZINC000328615225 553796788 /nfs/dbraw/zinc/79/67/88/553796788.db2.gz RORZYRYYAYHRTA-JJRVBVJISA-N 1 2 350.488 2.319 20 30 FEEDLO CC(C)(C(=O)N[C@@H]1CCN(C(=O)CCc2ccccc2)C1)[NH+]1CCOCC1 ZINC000328692846 553808147 /nfs/dbraw/zinc/80/81/47/553808147.db2.gz RXHORPZQFHWYIU-GOSISDBHSA-N 1 2 373.497 2.287 20 30 FEEDLO O=C(Nc1ccc(N2CCOCC2)nc1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000328732952 553813887 /nfs/dbraw/zinc/81/38/87/553813887.db2.gz JGSMHXVOSSEJTC-UHFFFAOYSA-N 1 2 356.430 2.066 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+]2CCCC[C@H]2C(=O)Nc2ccc3c(c2)CCO3)C1=O ZINC000328767558 553819404 /nfs/dbraw/zinc/81/94/04/553819404.db2.gz FRDUIXLMMQYPLA-ROUUACIJSA-N 1 2 369.465 2.201 20 30 FEEDLO C=CCN1CC[C@H]([N@H+]2CCCC[C@H]2C(=O)Nc2ccc3c(c2)CCO3)C1=O ZINC000328767558 553819405 /nfs/dbraw/zinc/81/94/05/553819405.db2.gz FRDUIXLMMQYPLA-ROUUACIJSA-N 1 2 369.465 2.201 20 30 FEEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)Cn1cnc3sccc3c1=O)CCC2 ZINC000328785330 553821969 /nfs/dbraw/zinc/82/19/69/553821969.db2.gz KLGWOROIRPDGOL-LBPRGKRZSA-N 1 2 357.439 2.497 20 30 FEEDLO CCC(CC)c1cc(CNC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)on1 ZINC000328901676 553841469 /nfs/dbraw/zinc/84/14/69/553841469.db2.gz ZJUKOSBLZFQMDH-IRXDYDNUSA-N 1 2 350.463 2.397 20 30 FEEDLO CCC(CC)c1cc(CNC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)on1 ZINC000328901676 553841470 /nfs/dbraw/zinc/84/14/70/553841470.db2.gz ZJUKOSBLZFQMDH-IRXDYDNUSA-N 1 2 350.463 2.397 20 30 FEEDLO CC(C)(C)[C@@H]1C[C@H](NC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)CCO1 ZINC000328939477 553849260 /nfs/dbraw/zinc/84/92/60/553849260.db2.gz KLQHKXJXQVDMAO-IKGGRYGDSA-N 1 2 353.507 2.291 20 30 FEEDLO C[N@@H+]1CC[C@H](NC(=O)N2CCn3ccnc3C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000328946584 553850973 /nfs/dbraw/zinc/85/09/73/553850973.db2.gz JZQYJGWUXTXOHB-RDJZCZTQSA-N 1 2 361.396 2.336 20 30 FEEDLO C[N@H+]1CC[C@H](NC(=O)N2CCn3ccnc3C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000328946584 553850974 /nfs/dbraw/zinc/85/09/74/553850974.db2.gz JZQYJGWUXTXOHB-RDJZCZTQSA-N 1 2 361.396 2.336 20 30 FEEDLO CC(C)N1C(=O)N[C@@H]2C[N@@H+](CC(=O)NC(=O)NC3CCCCC3)CC[C@@H]21 ZINC000329008773 553864182 /nfs/dbraw/zinc/86/41/82/553864182.db2.gz ZTJHCTYAQUJYTR-CABCVRRESA-N 1 2 365.478 2.271 20 30 FEEDLO CC(C)N1C(=O)N[C@@H]2C[N@H+](CC(=O)NC(=O)NC3CCCCC3)CC[C@@H]21 ZINC000329008773 553864187 /nfs/dbraw/zinc/86/41/87/553864187.db2.gz ZTJHCTYAQUJYTR-CABCVRRESA-N 1 2 365.478 2.271 20 30 FEEDLO C[C@@H]1C[C@@H](C(=O)N[C@@H]2CCC(=O)N(C3CC3)[C@H]2c2c[nH+]cn2C)CCO1 ZINC000329056280 553872859 /nfs/dbraw/zinc/87/28/59/553872859.db2.gz XWFKRAWQKCAVRA-ZFHGCVPZSA-N 1 2 360.458 2.386 20 30 FEEDLO CCn1cc[nH+]c1[C@H](NC(=O)[C@H]1CCCCS1(=O)=O)C1CCOCC1 ZINC000329074204 553875348 /nfs/dbraw/zinc/87/53/48/553875348.db2.gz BGMQYBJPHFTSTJ-HUUCEWRRSA-N 1 2 369.487 2.295 20 30 FEEDLO Cc1ccc(-n2cccn2)cc1NC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000329130036 553885799 /nfs/dbraw/zinc/88/57/99/553885799.db2.gz ODDFZJCYRUYDLO-QZTJIDSGSA-N 1 2 355.442 2.131 20 30 FEEDLO Cc1ccc(-n2cccn2)cc1NC(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000329130036 553885801 /nfs/dbraw/zinc/88/58/01/553885801.db2.gz ODDFZJCYRUYDLO-QZTJIDSGSA-N 1 2 355.442 2.131 20 30 FEEDLO CN(C(=O)CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1)C1CCCCC1 ZINC000329303467 553921672 /nfs/dbraw/zinc/92/16/72/553921672.db2.gz XIRHQXYJBSOJTH-QGZVFWFLSA-N 1 2 351.491 2.377 20 30 FEEDLO CN(C(=O)CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1)C1CCCCC1 ZINC000329303467 553921674 /nfs/dbraw/zinc/92/16/74/553921674.db2.gz XIRHQXYJBSOJTH-QGZVFWFLSA-N 1 2 351.491 2.377 20 30 FEEDLO CCc1cc(N2CCC[C@H](NC(=O)C3([NH+]4CCOCC4)CCC3)C2)ncn1 ZINC000329351742 553930209 /nfs/dbraw/zinc/93/02/09/553930209.db2.gz XGNCZLDJRRHQCB-KRWDZBQOSA-N 1 2 373.501 2.219 20 30 FEEDLO Cc1nc2ccc(N3CC[NH+](CC(=O)NC4CCC(C)CC4)CC3)nn2n1 ZINC000329376346 553934340 /nfs/dbraw/zinc/93/43/40/553934340.db2.gz LTEWHQYDUYSOOX-UHFFFAOYSA-N 1 2 371.489 2.090 20 30 FEEDLO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(c2ccnc3c2cnn3C)CC1 ZINC000329392193 553937702 /nfs/dbraw/zinc/93/77/02/553937702.db2.gz RZLWSGNWJPOBPI-CQSZACIVSA-N 1 2 356.474 2.378 20 30 FEEDLO CN(Cc1nccn1C)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000329395581 553938410 /nfs/dbraw/zinc/93/84/10/553938410.db2.gz UDIKUVXLRICMMR-WBVHZDCISA-N 1 2 363.412 2.490 20 30 FEEDLO CN(Cc1nccn1C)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000329395581 553938413 /nfs/dbraw/zinc/93/84/13/553938413.db2.gz UDIKUVXLRICMMR-WBVHZDCISA-N 1 2 363.412 2.490 20 30 FEEDLO CC[C@H]1CCCN(C(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)CC1 ZINC000329402399 553940017 /nfs/dbraw/zinc/94/00/17/553940017.db2.gz BSFPODRRMMKITE-KRWDZBQOSA-N 1 2 364.534 2.357 20 30 FEEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)c1ccc(-n3cncn3)nc1)C2 ZINC000329408582 553940697 /nfs/dbraw/zinc/94/06/97/553940697.db2.gz ZXTYXGLTGJVQOJ-CQSZACIVSA-N 1 2 365.441 2.476 20 30 FEEDLO CC[C@]1(C)CN(C(=O)N[C@H](c2[nH+]ccn2C)C2CCOCC2)CCO1 ZINC000329425792 553944311 /nfs/dbraw/zinc/94/43/11/553944311.db2.gz GLNIQVWDOIXZPY-MAUKXSAKSA-N 1 2 350.463 2.303 20 30 FEEDLO CCN(C(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1)C1CCCCC1 ZINC000329444862 553948802 /nfs/dbraw/zinc/94/88/02/553948802.db2.gz NSMKEXLPWUXIED-UHFFFAOYSA-N 1 2 364.534 2.499 20 30 FEEDLO CCCC(=O)N[C@@H]1CCCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000329457838 553950753 /nfs/dbraw/zinc/95/07/53/553950753.db2.gz QVNIMZIMLFEJRT-NVXWUHKLSA-N 1 2 351.491 2.377 20 30 FEEDLO CCCC(=O)N[C@@H]1CCCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000329457838 553950755 /nfs/dbraw/zinc/95/07/55/553950755.db2.gz QVNIMZIMLFEJRT-NVXWUHKLSA-N 1 2 351.491 2.377 20 30 FEEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)N1CCOCC(F)(F)C1)C2 ZINC000329679795 553987053 /nfs/dbraw/zinc/98/70/53/553987053.db2.gz WDKQJHGSRGRSCG-LBPRGKRZSA-N 1 2 356.417 2.377 20 30 FEEDLO C[C@@H]1OCC[C@@]12C[N@H+](CC(=O)NC(=O)N[C@H]1CCCC[C@H]1C)CCO2 ZINC000329920387 554031438 /nfs/dbraw/zinc/03/14/38/554031438.db2.gz DXBUSXSOXTVDRC-LDDOYCOJSA-N 1 2 353.463 2.315 20 30 FEEDLO C[C@@H]1OCC[C@@]12C[N@@H+](CC(=O)NC(=O)N[C@H]1CCCC[C@H]1C)CCO2 ZINC000329920387 554031441 /nfs/dbraw/zinc/03/14/41/554031441.db2.gz DXBUSXSOXTVDRC-LDDOYCOJSA-N 1 2 353.463 2.315 20 30 FEEDLO COc1ccc(NC(=O)N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)cc1Br ZINC000329931249 554033998 /nfs/dbraw/zinc/03/39/98/554033998.db2.gz OYHCWQHMUHJHAE-TZMCWYRMSA-N 1 2 370.247 2.018 20 30 FEEDLO COc1ccc(NC(=O)N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)cc1Br ZINC000329931249 554033999 /nfs/dbraw/zinc/03/39/99/554033999.db2.gz OYHCWQHMUHJHAE-TZMCWYRMSA-N 1 2 370.247 2.018 20 30 FEEDLO CC(C)[C@H](NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C)c1nc2ccccc2[nH]1 ZINC000329938926 554035408 /nfs/dbraw/zinc/03/54/08/554035408.db2.gz SVLRHDKZEBFDNM-IKGGRYGDSA-N 1 2 357.458 2.189 20 30 FEEDLO CC(C)[C@H](NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C)c1nc2ccccc2[nH]1 ZINC000329938926 554035410 /nfs/dbraw/zinc/03/54/10/554035410.db2.gz SVLRHDKZEBFDNM-IKGGRYGDSA-N 1 2 357.458 2.189 20 30 FEEDLO CCN1CCN(C(=O)N[C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)C[C@H]1c1[nH]cc[nH+]1 ZINC000329951732 554038227 /nfs/dbraw/zinc/03/82/27/554038227.db2.gz IJPAZKSEZYDPIP-JONQDZQNSA-N 1 2 361.490 2.206 20 30 FEEDLO O=C(NC[C@@H]1CCc2[nH+]ccn2C1)N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000329956795 554038732 /nfs/dbraw/zinc/03/87/32/554038732.db2.gz PEAOEWNZNIUODA-UONOGXRCSA-N 1 2 374.876 2.276 20 30 FEEDLO C[C@@H]1CCC[C@H](NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000329994305 554046218 /nfs/dbraw/zinc/04/62/18/554046218.db2.gz MCXPXXMETDISFG-IKGGRYGDSA-N 1 2 351.491 2.092 20 30 FEEDLO O=C(C[N@@H+]1CCN2C(=O)NC[C@@H]2C1)NCCc1cccc(Cl)c1Cl ZINC000330002566 554047536 /nfs/dbraw/zinc/04/75/36/554047536.db2.gz BBYXBDVKQKEYCA-GFCCVEGCSA-N 1 2 371.268 2.406 20 30 FEEDLO O=C(C[N@H+]1CCN2C(=O)NC[C@@H]2C1)NCCc1cccc(Cl)c1Cl ZINC000330002566 554047538 /nfs/dbraw/zinc/04/75/38/554047538.db2.gz BBYXBDVKQKEYCA-GFCCVEGCSA-N 1 2 371.268 2.406 20 30 FEEDLO CC(C)(CNC(=O)NC[C@@H]1CCC2(CCCCC2)O1)[NH+]1CCOCC1 ZINC000330013939 554049425 /nfs/dbraw/zinc/04/94/25/554049425.db2.gz AKKSZHWUMQBUSY-INIZCTEOSA-N 1 2 353.507 2.483 20 30 FEEDLO C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000330065193 554057997 /nfs/dbraw/zinc/05/79/97/554057997.db2.gz CUZAUVFEEHQJSR-LBTNJELSSA-N 1 2 353.463 2.458 20 30 FEEDLO C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000330065193 554057999 /nfs/dbraw/zinc/05/79/99/554057999.db2.gz CUZAUVFEEHQJSR-LBTNJELSSA-N 1 2 353.463 2.458 20 30 FEEDLO O=C(C[N@@H+]1CCO[C@H](C2CC2)C1)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000330112534 554066730 /nfs/dbraw/zinc/06/67/30/554066730.db2.gz CCAYJECGRNAONU-IBGZPJMESA-N 1 2 371.481 2.093 20 30 FEEDLO O=C(C[N@H+]1CCO[C@H](C2CC2)C1)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000330112534 554066731 /nfs/dbraw/zinc/06/67/31/554066731.db2.gz CCAYJECGRNAONU-IBGZPJMESA-N 1 2 371.481 2.093 20 30 FEEDLO C=CCNC(=O)CN1CC[NH+](Cc2ccc(Oc3ccccc3)o2)CC1 ZINC000507619644 561735401 /nfs/dbraw/zinc/73/54/01/561735401.db2.gz KYZXXHYEKRRMOH-UHFFFAOYSA-N 1 2 355.438 2.492 20 30 FEEDLO C[C@@H]1OCC[N@H+](CC(=O)NC(=O)Nc2ccc3c(c2)OCCCO3)[C@H]1C ZINC000330156386 554075514 /nfs/dbraw/zinc/07/55/14/554075514.db2.gz OQRUZHBGGKHODX-STQMWFEESA-N 1 2 363.414 2.459 20 30 FEEDLO C[C@@H]1OCC[N@@H+](CC(=O)NC(=O)Nc2ccc3c(c2)OCCCO3)[C@H]1C ZINC000330156386 554075517 /nfs/dbraw/zinc/07/55/17/554075517.db2.gz OQRUZHBGGKHODX-STQMWFEESA-N 1 2 363.414 2.459 20 30 FEEDLO Cc1cn2cc(NC(=O)[C@H](C)S(=O)(=O)C3CCOCC3)ccc2[nH+]1 ZINC000330161911 554076040 /nfs/dbraw/zinc/07/60/40/554076040.db2.gz SBFNRRGNPBTURV-LBPRGKRZSA-N 1 2 351.428 2.213 20 30 FEEDLO Cc1c(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)cccc1S(=O)(=O)NC1CC1 ZINC000330216066 554086968 /nfs/dbraw/zinc/08/69/68/554086968.db2.gz HLJLSSJHQOYNGC-CYBMUJFWSA-N 1 2 374.466 2.483 20 30 FEEDLO C[C@@H]1CN(c2ccc(C(=O)N[C@@H]3CCn4cc[nH+]c4C3)cn2)C[C@H](C)O1 ZINC000330230271 554089170 /nfs/dbraw/zinc/08/91/70/554089170.db2.gz DJODJKMPGDTBLK-IJEWVQPXSA-N 1 2 355.442 2.211 20 30 FEEDLO CCN1CCN(C(=O)N[C@@H]2CCc3c2cccc3O)C[C@H]1c1[nH]cc[nH+]1 ZINC000330333626 554106992 /nfs/dbraw/zinc/10/69/92/554106992.db2.gz PXVYPFVCQHLNIU-CVEARBPZSA-N 1 2 355.442 2.395 20 30 FEEDLO C[N@@H+]1CCO[C@@H]2CN(CC(=O)Nc3ccc4c(c3)OC3(CCCC3)O4)C[C@H]21 ZINC000330336693 554107383 /nfs/dbraw/zinc/10/73/83/554107383.db2.gz SQLQRLUVHPFSJT-CRAIPNDOSA-N 1 2 373.453 2.331 20 30 FEEDLO C[N@H+]1CCO[C@@H]2CN(CC(=O)Nc3ccc4c(c3)OC3(CCCC3)O4)C[C@H]21 ZINC000330336693 554107385 /nfs/dbraw/zinc/10/73/85/554107385.db2.gz SQLQRLUVHPFSJT-CRAIPNDOSA-N 1 2 373.453 2.331 20 30 FEEDLO CN1CCO[C@@H]2C[N@H+](CC(=O)Nc3ccc4c(c3)OC3(CCCC3)O4)C[C@H]21 ZINC000330336693 554107387 /nfs/dbraw/zinc/10/73/87/554107387.db2.gz SQLQRLUVHPFSJT-CRAIPNDOSA-N 1 2 373.453 2.331 20 30 FEEDLO CN1CCO[C@@H]2C[N@@H+](CC(=O)Nc3ccc4c(c3)OC3(CCCC3)O4)C[C@H]21 ZINC000330336693 554107389 /nfs/dbraw/zinc/10/73/89/554107389.db2.gz SQLQRLUVHPFSJT-CRAIPNDOSA-N 1 2 373.453 2.331 20 30 FEEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000330351133 554110123 /nfs/dbraw/zinc/11/01/23/554110123.db2.gz LWMYPRJKFQFRBW-BYCMXARLSA-N 1 2 360.483 2.100 20 30 FEEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000330351133 554110125 /nfs/dbraw/zinc/11/01/25/554110125.db2.gz LWMYPRJKFQFRBW-BYCMXARLSA-N 1 2 360.483 2.100 20 30 FEEDLO CCC[C@@H]1C[C@H]1NC(=O)N1CC[NH+](CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000330352530 554110743 /nfs/dbraw/zinc/11/07/43/554110743.db2.gz NKSOQJNILBUIOZ-GVDBMIGSSA-N 1 2 350.507 2.108 20 30 FEEDLO CC(=O)N(C)c1cccc(NC(=O)N[C@@H]2CCO[C@@H](c3c[nH+]cn3C)C2)c1 ZINC000330360852 554111628 /nfs/dbraw/zinc/11/16/28/554111628.db2.gz XPZVQDZQTMVUDN-CRAIPNDOSA-N 1 2 371.441 2.458 20 30 FEEDLO CC(C)CNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000331159309 554223884 /nfs/dbraw/zinc/22/38/84/554223884.db2.gz QNEICFDWWTUKRI-KBPBESRZSA-N 1 2 366.437 2.139 20 30 FEEDLO CC(C)CNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000331159309 554223886 /nfs/dbraw/zinc/22/38/86/554223886.db2.gz QNEICFDWWTUKRI-KBPBESRZSA-N 1 2 366.437 2.139 20 30 FEEDLO N#Cc1cccc(-c2nnc(C[N@H+]3CCC[C@@](O)(C(F)(F)F)C3)o2)c1 ZINC000331281002 554240488 /nfs/dbraw/zinc/24/04/88/554240488.db2.gz URETZJUKALNGAR-HNNXBMFYSA-N 1 2 352.316 2.497 20 30 FEEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3CCC[C@@](O)(C(F)(F)F)C3)o2)c1 ZINC000331281002 554240491 /nfs/dbraw/zinc/24/04/91/554240491.db2.gz URETZJUKALNGAR-HNNXBMFYSA-N 1 2 352.316 2.497 20 30 FEEDLO C=CC[C@H]1[N@H+](CC(=O)N(CC)[C@@H]2CCS(=O)(=O)C2)CCCC1(C)C ZINC000331308367 554245547 /nfs/dbraw/zinc/24/55/47/554245547.db2.gz XEBZTELNTQVPJS-HZPDHXFCSA-N 1 2 356.532 2.089 20 30 FEEDLO C=CC[C@H]1[N@@H+](CC(=O)N(CC)[C@@H]2CCS(=O)(=O)C2)CCCC1(C)C ZINC000331308367 554245549 /nfs/dbraw/zinc/24/55/49/554245549.db2.gz XEBZTELNTQVPJS-HZPDHXFCSA-N 1 2 356.532 2.089 20 30 FEEDLO N#CC1(CS(=O)(=O)NCCc2cn3c([nH+]2)CCCC3)CCCCC1 ZINC000331409474 554259771 /nfs/dbraw/zinc/25/97/71/554259771.db2.gz NDPDZHLTXXMROL-UHFFFAOYSA-N 1 2 350.488 2.155 20 30 FEEDLO C[C@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000332026579 554366237 /nfs/dbraw/zinc/36/62/37/554366237.db2.gz GYWVJXVCXWKWNA-MTNOOBJLSA-N 1 2 369.513 2.405 20 30 FEEDLO CCCC[N@@H+]1CCOC[C@H]1C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000332131256 554386817 /nfs/dbraw/zinc/38/68/17/554386817.db2.gz OKGMTTVERIHZEG-FQEVSTJZSA-N 1 2 371.481 2.429 20 30 FEEDLO CCCC[N@H+]1CCOC[C@H]1C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000332131256 554386818 /nfs/dbraw/zinc/38/68/18/554386818.db2.gz OKGMTTVERIHZEG-FQEVSTJZSA-N 1 2 371.481 2.429 20 30 FEEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)Nc3cc(C#N)ccc3OC(F)F)C[C@@H]21 ZINC000332574644 554475074 /nfs/dbraw/zinc/47/50/74/554475074.db2.gz CRQROXCWUXUVEM-DZGCQCFKSA-N 1 2 366.368 2.096 20 30 FEEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)Nc3cc(C#N)ccc3OC(F)F)C[C@@H]21 ZINC000332574644 554475078 /nfs/dbraw/zinc/47/50/78/554475078.db2.gz CRQROXCWUXUVEM-DZGCQCFKSA-N 1 2 366.368 2.096 20 30 FEEDLO C[C@H](c1ccsc1)[NH+]1CCN(S(=O)(=O)CC2(CC#N)CC2)CC1 ZINC000333433572 554612968 /nfs/dbraw/zinc/61/29/68/554612968.db2.gz NZGMXHNKAFDMGW-CQSZACIVSA-N 1 2 353.513 2.450 20 30 FEEDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000511075174 561856024 /nfs/dbraw/zinc/85/60/24/561856024.db2.gz QGNBOUXTENJCHA-UHFFFAOYSA-N 1 2 373.434 2.415 20 30 FEEDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000511075174 561856026 /nfs/dbraw/zinc/85/60/26/561856026.db2.gz QGNBOUXTENJCHA-UHFFFAOYSA-N 1 2 373.434 2.415 20 30 FEEDLO Cc1c(Cl)cnc(NCC[NH+]2CCN(C(=O)C3CCC3)CC2)c1C#N ZINC000612079602 554731084 /nfs/dbraw/zinc/73/10/84/554731084.db2.gz KEXWESSSNQXTMA-UHFFFAOYSA-N 1 2 361.877 2.271 20 30 FEEDLO Cc1n[nH]c(C2CC[NH+](CC(=O)N(CCC#N)c3ccccc3)CC2)n1 ZINC000360929619 554896170 /nfs/dbraw/zinc/89/61/70/554896170.db2.gz RPIPFYQAIKZFIJ-UHFFFAOYSA-N 1 2 352.442 2.239 20 30 FEEDLO Cc1nc(C2CC[NH+](CC(=O)N(CCC#N)c3ccccc3)CC2)n[nH]1 ZINC000360929619 554896172 /nfs/dbraw/zinc/89/61/72/554896172.db2.gz RPIPFYQAIKZFIJ-UHFFFAOYSA-N 1 2 352.442 2.239 20 30 FEEDLO Cc1nnc(C2CC[NH+](CC(=O)N(CCC#N)c3ccccc3)CC2)[nH]1 ZINC000360929619 554896173 /nfs/dbraw/zinc/89/61/73/554896173.db2.gz RPIPFYQAIKZFIJ-UHFFFAOYSA-N 1 2 352.442 2.239 20 30 FEEDLO COC(=O)[C@H]1C[C@H](OC)C[N@H+]1Cc1ccc(OC)c(OCCCC#N)c1 ZINC000362375563 554967287 /nfs/dbraw/zinc/96/72/87/554967287.db2.gz GKOGIZOOUIBBKI-JKSUJKDBSA-N 1 2 362.426 2.140 20 30 FEEDLO COC(=O)[C@H]1C[C@H](OC)C[N@@H+]1Cc1ccc(OC)c(OCCCC#N)c1 ZINC000362375563 554967289 /nfs/dbraw/zinc/96/72/89/554967289.db2.gz GKOGIZOOUIBBKI-JKSUJKDBSA-N 1 2 362.426 2.140 20 30 FEEDLO C#CCOCCC(=O)N(C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000362775833 554987530 /nfs/dbraw/zinc/98/75/30/554987530.db2.gz RIFYXNXKCMCHQP-UHFFFAOYSA-N 1 2 358.486 2.376 20 30 FEEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCCN(C(=O)c2ccco2)CC1 ZINC000363380345 555090002 /nfs/dbraw/zinc/09/00/02/555090002.db2.gz JMISJHMVRPRKCU-INIZCTEOSA-N 1 2 372.469 2.159 20 30 FEEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCCN(C(=O)c2ccco2)CC1 ZINC000363380345 555090005 /nfs/dbraw/zinc/09/00/05/555090005.db2.gz JMISJHMVRPRKCU-INIZCTEOSA-N 1 2 372.469 2.159 20 30 FEEDLO N#CCCN(CCc1ncc(-c2ccccc2)o1)CC[NH+]1CCOCC1 ZINC000363666088 555159280 /nfs/dbraw/zinc/15/92/80/555159280.db2.gz MLRWUKOLYDIYQP-UHFFFAOYSA-N 1 2 354.454 2.432 20 30 FEEDLO Cc1noc([C@@H]([NH2+][C@H](C)C(=O)Nc2cccc(C#N)c2)C2CCOCC2)n1 ZINC000364554171 555336678 /nfs/dbraw/zinc/33/66/78/555336678.db2.gz IKJGULZSFLRQFY-PXAZEXFGSA-N 1 2 369.425 2.334 20 30 FEEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCC[C@@]2(CNC(=O)O2)C1 ZINC000364794742 555405029 /nfs/dbraw/zinc/40/50/29/555405029.db2.gz WYBNFFCGYYOAHO-PIGZYNQJSA-N 1 2 362.817 2.113 20 30 FEEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCC[C@@]2(CNC(=O)O2)C1 ZINC000364794742 555405032 /nfs/dbraw/zinc/40/50/32/555405032.db2.gz WYBNFFCGYYOAHO-PIGZYNQJSA-N 1 2 362.817 2.113 20 30 FEEDLO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@]3(CNC(=O)O3)C2)cc1C ZINC000364798639 555405652 /nfs/dbraw/zinc/40/56/52/555405652.db2.gz ZOHGVILXGMPPHS-FQEVSTJZSA-N 1 2 370.453 2.125 20 30 FEEDLO Cc1ccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@]3(CNC(=O)O3)C2)cc1C ZINC000364798639 555405653 /nfs/dbraw/zinc/40/56/53/555405653.db2.gz ZOHGVILXGMPPHS-FQEVSTJZSA-N 1 2 370.453 2.125 20 30 FEEDLO CC[C@@H](C#N)Oc1cc(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)ccc1OC ZINC000364913109 555435606 /nfs/dbraw/zinc/43/56/06/555435606.db2.gz DRSAWEUEERDNMD-HOTGVXAUSA-N 1 2 368.437 2.451 20 30 FEEDLO C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)NCC(C)(C)C#N ZINC000512787781 561915247 /nfs/dbraw/zinc/91/52/47/561915247.db2.gz LMDVXYRGABGKCP-KRWDZBQOSA-N 1 2 358.486 2.469 20 30 FEEDLO C[C@H](C(=O)NCCc1cccs1)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000513816144 561951235 /nfs/dbraw/zinc/95/12/35/561951235.db2.gz IUIQOBAVAHBJNR-MRXNPFEDSA-N 1 2 368.506 2.489 20 30 FEEDLO N#Cc1ccc(CN(C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)C2CC2)cc1 ZINC000366476163 555854528 /nfs/dbraw/zinc/85/45/28/555854528.db2.gz QTAFIFBJMBBCJH-LJQANCHMSA-N 1 2 354.454 2.095 20 30 FEEDLO N#Cc1ccc(CN(C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)C2CC2)cc1 ZINC000366476163 555854532 /nfs/dbraw/zinc/85/45/32/555854532.db2.gz QTAFIFBJMBBCJH-LJQANCHMSA-N 1 2 354.454 2.095 20 30 FEEDLO C=CCOc1ccc(C[NH+]2CCN(Cc3cnn(C)c3)CC2)cc1OC ZINC000514093031 561960183 /nfs/dbraw/zinc/96/01/83/561960183.db2.gz HUOJPDWAQYGYNH-UHFFFAOYSA-N 1 2 356.470 2.311 20 30 FEEDLO C=CCOc1ccc(CN2CC[NH+](Cc3cnn(C)c3)CC2)cc1OC ZINC000514093031 561960184 /nfs/dbraw/zinc/96/01/84/561960184.db2.gz HUOJPDWAQYGYNH-UHFFFAOYSA-N 1 2 356.470 2.311 20 30 FEEDLO Cc1cn2c([nH+]1)[C@H](CNS(=O)(=O)c1c(F)cc(C#N)cc1F)CCC2 ZINC000366701802 555913247 /nfs/dbraw/zinc/91/32/47/555913247.db2.gz LOIKPHGHGDZNIE-LBPRGKRZSA-N 1 2 366.393 2.197 20 30 FEEDLO N#Cc1ccc(OC[C@H](O)C[NH2+]C2(c3noc(C(F)F)n3)CCC2)cc1 ZINC000367861312 556157365 /nfs/dbraw/zinc/15/73/65/556157365.db2.gz ZQVXBFQPUGEBLY-GFCCVEGCSA-N 1 2 364.352 2.288 20 30 FEEDLO CC(=O)N1CC[N@H+](CC(=O)NCc2cccc(C#N)c2)CC12CCCCC2 ZINC000368469990 556319056 /nfs/dbraw/zinc/31/90/56/556319056.db2.gz JWSGTXVKFCTMSW-UHFFFAOYSA-N 1 2 368.481 2.041 20 30 FEEDLO CC(=O)N1CC[N@@H+](CC(=O)NCc2cccc(C#N)c2)CC12CCCCC2 ZINC000368469990 556319060 /nfs/dbraw/zinc/31/90/60/556319060.db2.gz JWSGTXVKFCTMSW-UHFFFAOYSA-N 1 2 368.481 2.041 20 30 FEEDLO Cc1oc(NC(=O)C[N@@H+]2CC[C@@]3(C2)c2ccccc2NC3=O)c(C#N)c1C ZINC000368712543 556394662 /nfs/dbraw/zinc/39/46/62/556394662.db2.gz OQFLPDXLRUMPFP-HXUWFJFHSA-N 1 2 364.405 2.302 20 30 FEEDLO Cc1oc(NC(=O)C[N@H+]2CC[C@@]3(C2)c2ccccc2NC3=O)c(C#N)c1C ZINC000368712543 556394664 /nfs/dbraw/zinc/39/46/64/556394664.db2.gz OQFLPDXLRUMPFP-HXUWFJFHSA-N 1 2 364.405 2.302 20 30 FEEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCc2cnc(N)nc2C1 ZINC000623293390 556397251 /nfs/dbraw/zinc/39/72/51/556397251.db2.gz STTPZFPOEPKHQB-ZDUSSCGKSA-N 1 2 357.483 2.082 20 30 FEEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCc2cnc(N)nc2C1 ZINC000623293390 556397254 /nfs/dbraw/zinc/39/72/54/556397254.db2.gz STTPZFPOEPKHQB-ZDUSSCGKSA-N 1 2 357.483 2.082 20 30 FEEDLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC000515559707 562015329 /nfs/dbraw/zinc/01/53/29/562015329.db2.gz UUTJGFWYJMHFQO-KBXCAEBGSA-N 1 2 367.453 2.232 20 30 FEEDLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC000515559707 562015330 /nfs/dbraw/zinc/01/53/30/562015330.db2.gz UUTJGFWYJMHFQO-KBXCAEBGSA-N 1 2 367.453 2.232 20 30 FEEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)c1C ZINC000368976285 556465608 /nfs/dbraw/zinc/46/56/08/556465608.db2.gz VIDIBHAJUDWTMS-ABSDTBQOSA-N 1 2 368.481 2.136 20 30 FEEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)c1C ZINC000368976285 556465609 /nfs/dbraw/zinc/46/56/09/556465609.db2.gz VIDIBHAJUDWTMS-ABSDTBQOSA-N 1 2 368.481 2.136 20 30 FEEDLO C=CCc1ccc(OCC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)c(OC)c1 ZINC000369709856 556674710 /nfs/dbraw/zinc/67/47/10/556674710.db2.gz UKXJWCPSBOXNMO-GOSISDBHSA-N 1 2 374.481 2.126 20 30 FEEDLO C[N@H+](CC(=O)c1cn(CCC#N)c2ccccc12)[C@@H]1CCCCNC1=O ZINC000370001927 556754185 /nfs/dbraw/zinc/75/41/85/556754185.db2.gz KWCRORPHKJPBEF-GOSISDBHSA-N 1 2 352.438 2.338 20 30 FEEDLO C[N@@H+](CC(=O)c1cn(CCC#N)c2ccccc12)[C@@H]1CCCCNC1=O ZINC000370001927 556754189 /nfs/dbraw/zinc/75/41/89/556754189.db2.gz KWCRORPHKJPBEF-GOSISDBHSA-N 1 2 352.438 2.338 20 30 FEEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CCN(c2cnn(C)c2)CC1 ZINC000370002861 556755331 /nfs/dbraw/zinc/75/53/31/556755331.db2.gz UFFPEXUPMSQZEZ-INIZCTEOSA-N 1 2 373.526 2.207 20 30 FEEDLO N#CCCn1cc(C(=O)C[N@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)c2ccccc21 ZINC000370221058 556814487 /nfs/dbraw/zinc/81/44/87/556814487.db2.gz HCHRHKYZPCAMTB-AUSJPIAWSA-N 1 2 364.449 2.323 20 30 FEEDLO N#CCCn1cc(C(=O)C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)c2ccccc21 ZINC000370221058 556814489 /nfs/dbraw/zinc/81/44/89/556814489.db2.gz HCHRHKYZPCAMTB-AUSJPIAWSA-N 1 2 364.449 2.323 20 30 FEEDLO C[C@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000370555527 556907559 /nfs/dbraw/zinc/90/75/59/556907559.db2.gz HHCHZNWKAHXQLG-LRDDRELGSA-N 1 2 356.451 2.190 20 30 FEEDLO C[C@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000370555527 556907560 /nfs/dbraw/zinc/90/75/60/556907560.db2.gz HHCHZNWKAHXQLG-LRDDRELGSA-N 1 2 356.451 2.190 20 30 FEEDLO Cc1ncc(C[NH+]2CCN(C(=O)NCCc3cccc(C#N)c3)CC2)s1 ZINC000516944423 562066279 /nfs/dbraw/zinc/06/62/79/562066279.db2.gz WREOBOLVPAQJKW-UHFFFAOYSA-N 1 2 369.494 2.393 20 30 FEEDLO COc1cc(OC)cc([C@@H](NC(=O)NCC2(C#N)CC2)c2[nH+]ccn2C)c1 ZINC000517006897 562070578 /nfs/dbraw/zinc/07/05/78/562070578.db2.gz ZCAMTPXPCVFSFB-MRXNPFEDSA-N 1 2 369.425 2.130 20 30 FEEDLO N#Cc1ccc(Cl)c(S(=O)(=O)N2CC[NH+]([C@H]3CCSC3)CC2)c1 ZINC000372775063 557560050 /nfs/dbraw/zinc/56/00/50/557560050.db2.gz FEOGISLZOQWTHT-ZDUSSCGKSA-N 1 2 371.915 2.023 20 30 FEEDLO CN1CC[N@H+](CCS(=O)(=O)c2cccc(C#N)c2)Cc2ccccc21 ZINC000372876479 557580443 /nfs/dbraw/zinc/58/04/43/557580443.db2.gz BAAZPFUZVCAABN-UHFFFAOYSA-N 1 2 355.463 2.284 20 30 FEEDLO CN1CC[N@@H+](CCS(=O)(=O)c2cccc(C#N)c2)Cc2ccccc21 ZINC000372876479 557580445 /nfs/dbraw/zinc/58/04/45/557580445.db2.gz BAAZPFUZVCAABN-UHFFFAOYSA-N 1 2 355.463 2.284 20 30 FEEDLO C[C@@H](NC[C@@H](O)C[N@H+](C)CCC#N)c1noc(-c2ccc(Cl)cc2)n1 ZINC000519769730 562143332 /nfs/dbraw/zinc/14/33/32/562143332.db2.gz QBSNMMGTKYHRAJ-IUODEOHRSA-N 1 2 363.849 2.247 20 30 FEEDLO C[C@@H](NC[C@@H](O)C[N@@H+](C)CCC#N)c1noc(-c2ccc(Cl)cc2)n1 ZINC000519769730 562143333 /nfs/dbraw/zinc/14/33/33/562143333.db2.gz QBSNMMGTKYHRAJ-IUODEOHRSA-N 1 2 363.849 2.247 20 30 FEEDLO C[C@@H]([NH2+]C[C@@H](O)CN(C)CCC#N)c1noc(-c2ccc(Cl)cc2)n1 ZINC000519769730 562143334 /nfs/dbraw/zinc/14/33/34/562143334.db2.gz QBSNMMGTKYHRAJ-IUODEOHRSA-N 1 2 363.849 2.247 20 30 FEEDLO N#Cc1ccc(N2CCN(C(=O)[C@H]3CCc4[nH+]ccn4C3)CC2)c(Cl)c1 ZINC000373117692 557632451 /nfs/dbraw/zinc/63/24/51/557632451.db2.gz JFBJLBFKVIZCCK-HNNXBMFYSA-N 1 2 369.856 2.319 20 30 FEEDLO C[C@@H]1C[C@]2(CCO1)C[N@H+]([C@H]1CCN(c3ccc(C#N)cc3)C1=O)C[C@H](C)O2 ZINC000374018172 557808855 /nfs/dbraw/zinc/80/88/55/557808855.db2.gz NEOJINSJPHCZLS-KPYYAMLLSA-N 1 2 369.465 2.322 20 30 FEEDLO C[C@@H]1C[C@]2(CCO1)C[N@@H+]([C@H]1CCN(c3ccc(C#N)cc3)C1=O)C[C@H](C)O2 ZINC000374018172 557808859 /nfs/dbraw/zinc/80/88/59/557808859.db2.gz NEOJINSJPHCZLS-KPYYAMLLSA-N 1 2 369.465 2.322 20 30 FEEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N2CC=C(c3ccccc3)CC2)C1=O ZINC000374071360 557817799 /nfs/dbraw/zinc/81/77/99/557817799.db2.gz YQRASIDUCKRVSB-IBGZPJMESA-N 1 2 353.466 2.021 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N2CC=C(c3ccccc3)CC2)C1=O ZINC000374071360 557817802 /nfs/dbraw/zinc/81/78/02/557817802.db2.gz YQRASIDUCKRVSB-IBGZPJMESA-N 1 2 353.466 2.021 20 30 FEEDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)NCCc2cccc(C#N)c2)C1 ZINC000374199998 557842516 /nfs/dbraw/zinc/84/25/16/557842516.db2.gz RUVPRDXVLJRBLC-GOSISDBHSA-N 1 2 351.454 2.499 20 30 FEEDLO COC(=O)c1cc(C[N@@H+]2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)oc1C ZINC000374364813 557872249 /nfs/dbraw/zinc/87/22/49/557872249.db2.gz HUAMSQGCASGGGO-XCLFUZPHSA-N 1 2 365.389 2.220 20 30 FEEDLO COC(=O)c1cc(C[N@H+]2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)oc1C ZINC000374364813 557872250 /nfs/dbraw/zinc/87/22/50/557872250.db2.gz HUAMSQGCASGGGO-XCLFUZPHSA-N 1 2 365.389 2.220 20 30 FEEDLO CN(C)C(=O)[C@H](c1ccccc1)[N@@H+]1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000374368602 557872967 /nfs/dbraw/zinc/87/29/67/557872967.db2.gz VNORVVBMLGCXRZ-WVBUVRCRSA-N 1 2 374.444 2.161 20 30 FEEDLO CN(C)C(=O)[C@H](c1ccccc1)[N@H+]1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000374368602 557872968 /nfs/dbraw/zinc/87/29/68/557872968.db2.gz VNORVVBMLGCXRZ-WVBUVRCRSA-N 1 2 374.444 2.161 20 30 FEEDLO CN(CC[NH+]1CCOCC1)C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000521118674 562169981 /nfs/dbraw/zinc/16/99/81/562169981.db2.gz IOAZWGJVNVFBLR-UHFFFAOYSA-N 1 2 366.421 2.150 20 30 FEEDLO N#Cc1ccc(-n2ccc(NC(=O)c3ccnc(-n4cc[nH+]c4)c3)n2)c(F)c1 ZINC000374663880 557913873 /nfs/dbraw/zinc/91/38/73/557913873.db2.gz OJBIPCSBYCDLMT-UHFFFAOYSA-N 1 2 373.351 2.716 20 30 FEEDLO N#Cc1ccc(Cl)c(S(=O)(=O)NCc2ccnc(-n3cc[nH+]c3)c2)c1 ZINC000375376065 558017512 /nfs/dbraw/zinc/01/75/12/558017512.db2.gz AYJKMNWVCFSWEN-UHFFFAOYSA-N 1 2 373.825 2.271 20 30 FEEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CC[C@H](OCc3ccncc3)C2)c1 ZINC000376517559 558184558 /nfs/dbraw/zinc/18/45/58/558184558.db2.gz JXWZJGYIWKLJFS-SFHVURJKSA-N 1 2 371.462 2.018 20 30 FEEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CC[C@H](OCc3ccncc3)C2)c1 ZINC000376517559 558184560 /nfs/dbraw/zinc/18/45/60/558184560.db2.gz JXWZJGYIWKLJFS-SFHVURJKSA-N 1 2 371.462 2.018 20 30 FEEDLO C[N@H+](CC(=O)NCc1ccc(C#N)cc1)Cc1cnn(-c2ccccc2)c1 ZINC000521820907 562183851 /nfs/dbraw/zinc/18/38/51/562183851.db2.gz ANJVTFJWBYCLPG-UHFFFAOYSA-N 1 2 359.433 2.492 20 30 FEEDLO C[N@@H+](CC(=O)NCc1ccc(C#N)cc1)Cc1cnn(-c2ccccc2)c1 ZINC000521820907 562183852 /nfs/dbraw/zinc/18/38/52/562183852.db2.gz ANJVTFJWBYCLPG-UHFFFAOYSA-N 1 2 359.433 2.492 20 30 FEEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cn(CCCC#N)c4ccccc34)C[C@H]21 ZINC000521918778 562186507 /nfs/dbraw/zinc/18/65/07/562186507.db2.gz NXJSDAWLYLPJDY-WOJBJXKFSA-N 1 2 366.465 2.490 20 30 FEEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)c3cn(CCCC#N)c4ccccc34)C[C@H]21 ZINC000521918778 562186508 /nfs/dbraw/zinc/18/65/08/562186508.db2.gz NXJSDAWLYLPJDY-WOJBJXKFSA-N 1 2 366.465 2.490 20 30 FEEDLO CC[C@@](C)(C#N)C(=O)N1CC[NH+]([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000377121996 558270753 /nfs/dbraw/zinc/27/07/53/558270753.db2.gz BCNGXUSLXUOWLX-KXBFYZLASA-N 1 2 364.490 2.080 20 30 FEEDLO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCN(C(=O)CC(C)(C)C#N)CC2)C1 ZINC000377122874 558271212 /nfs/dbraw/zinc/27/12/12/558271212.db2.gz KZMKLRWXLVSJPT-HNNXBMFYSA-N 1 2 364.490 2.080 20 30 FEEDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000377667950 558391119 /nfs/dbraw/zinc/39/11/19/558391119.db2.gz GQJWNHBWZYAHLL-KRWDZBQOSA-N 1 2 366.469 2.117 20 30 FEEDLO Cc1cc(NC(=O)NCc2cccc(-c3[nH+]ccn3C)c2)nn1CCC#N ZINC000378516937 558573495 /nfs/dbraw/zinc/57/34/95/558573495.db2.gz DFIJKTDLPICFRE-UHFFFAOYSA-N 1 2 363.425 2.827 20 30 FEEDLO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1S(=O)(=O)c1cccc(Cl)c1C#N ZINC000408182551 558654572 /nfs/dbraw/zinc/65/45/72/558654572.db2.gz LAFRNOHODDCDLZ-QWHCGFSZSA-N 1 2 353.875 2.459 20 30 FEEDLO C[C@H]1C[N@H+]2CCCC[C@@H]2CN1S(=O)(=O)c1cccc(Cl)c1C#N ZINC000408182551 558654573 /nfs/dbraw/zinc/65/45/73/558654573.db2.gz LAFRNOHODDCDLZ-QWHCGFSZSA-N 1 2 353.875 2.459 20 30 FEEDLO CC(C)c1[nH+]c2c(n1C)CCN(S(=O)(=O)c1ccc(C#N)s1)C2 ZINC000408406533 558674502 /nfs/dbraw/zinc/67/45/02/558674502.db2.gz UTQUBZRARXXBDZ-UHFFFAOYSA-N 1 2 350.469 2.224 20 30 FEEDLO Cc1cc(C)c(NC(=O)C(=O)NCCOc2ccc(C#N)cc2)c(C)[nH+]1 ZINC000411256452 558861962 /nfs/dbraw/zinc/86/19/62/558861962.db2.gz IKNPKXGKLFJAND-UHFFFAOYSA-N 1 2 352.394 2.012 20 30 FEEDLO C[C@@H](CCC#N)N1CC[NH+]([C@H]2CCCN(Cc3ccccc3)C2=O)CC1 ZINC000411500075 558906427 /nfs/dbraw/zinc/90/64/27/558906427.db2.gz SEGYWGGAWJSHBA-ICSRJNTNSA-N 1 2 354.498 2.487 20 30 FEEDLO C=C[C@@](C)(CCOC)C(=O)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000525866653 562257849 /nfs/dbraw/zinc/25/78/49/562257849.db2.gz VNAPNHNSBBXXLO-NRFANRHFSA-N 1 2 374.481 2.331 20 30 FEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CC[C@@]2(C1)CC(=O)c1ccccc1O2 ZINC000411990412 558999799 /nfs/dbraw/zinc/99/97/99/558999799.db2.gz SPDIAZXQBPWHDA-QRWLVFNGSA-N 1 2 355.438 2.104 20 30 FEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CC[C@@]2(C1)CC(=O)c1ccccc1O2 ZINC000411990412 558999801 /nfs/dbraw/zinc/99/98/01/558999801.db2.gz SPDIAZXQBPWHDA-QRWLVFNGSA-N 1 2 355.438 2.104 20 30 FEEDLO Cc1sc(NC(=O)CN(C)C(C)(C)C[NH+]2CCOCC2)c(C#N)c1C ZINC000412090134 559012007 /nfs/dbraw/zinc/01/20/07/559012007.db2.gz FYMYUMQFYCSLNE-UHFFFAOYSA-N 1 2 364.515 2.218 20 30 FEEDLO COc1ccccc1C[N@@H+](CC(=O)NC1(C#N)CCC1)C[C@@H]1CCCO1 ZINC000526135569 562267932 /nfs/dbraw/zinc/26/79/32/562267932.db2.gz LRZAIXCMJMIFNF-KRWDZBQOSA-N 1 2 357.454 2.239 20 30 FEEDLO COc1ccccc1C[N@H+](CC(=O)NC1(C#N)CCC1)C[C@@H]1CCCO1 ZINC000526135569 562267933 /nfs/dbraw/zinc/26/79/33/562267933.db2.gz LRZAIXCMJMIFNF-KRWDZBQOSA-N 1 2 357.454 2.239 20 30 FEEDLO CCn1c(SC[C@@H](O)C[N@H+](C)CCC#N)nnc1-c1cccs1 ZINC000414092340 559149143 /nfs/dbraw/zinc/14/91/43/559149143.db2.gz FYNTTXRLKUGOMN-LBPRGKRZSA-N 1 2 351.501 2.325 20 30 FEEDLO CCn1c(SC[C@@H](O)C[N@@H+](C)CCC#N)nnc1-c1cccs1 ZINC000414092340 559149144 /nfs/dbraw/zinc/14/91/44/559149144.db2.gz FYNTTXRLKUGOMN-LBPRGKRZSA-N 1 2 351.501 2.325 20 30 FEEDLO COC(=O)c1cc(Cl)c(OC[C@@H](O)C[N@H+](C)CCC#N)c(Cl)c1 ZINC000414139565 559150584 /nfs/dbraw/zinc/15/05/84/559150584.db2.gz KWCDNIWSIWRDLP-NSHDSACASA-N 1 2 361.225 2.365 20 30 FEEDLO COC(=O)c1cc(Cl)c(OC[C@@H](O)C[N@@H+](C)CCC#N)c(Cl)c1 ZINC000414139565 559150585 /nfs/dbraw/zinc/15/05/85/559150585.db2.gz KWCDNIWSIWRDLP-NSHDSACASA-N 1 2 361.225 2.365 20 30 FEEDLO COC(=O)Cc1cccc2c(OC[C@@H](O)C[N@H+](C)CCC#N)cccc12 ZINC000414152743 559150983 /nfs/dbraw/zinc/15/09/83/559150983.db2.gz XWLKVXJKNMEITA-INIZCTEOSA-N 1 2 356.422 2.140 20 30 FEEDLO COC(=O)Cc1cccc2c(OC[C@@H](O)C[N@@H+](C)CCC#N)cccc12 ZINC000414152743 559150984 /nfs/dbraw/zinc/15/09/84/559150984.db2.gz XWLKVXJKNMEITA-INIZCTEOSA-N 1 2 356.422 2.140 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Nc1ccc2c(c1)CCCN2 ZINC000415867890 559279880 /nfs/dbraw/zinc/27/98/80/559279880.db2.gz BMVODYFFIAACGW-UHFFFAOYSA-N 1 2 357.458 2.124 20 30 FEEDLO C=CCN(CC[N@H+]1C[C@H]2CC[C@@H](C1)O2)S(=O)(=O)c1cccc(Cl)c1 ZINC000418785228 559416016 /nfs/dbraw/zinc/41/60/16/559416016.db2.gz DCTDAFLXRMGMGP-IYBDPMFKSA-N 1 2 370.902 2.380 20 30 FEEDLO C=CCN(CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)S(=O)(=O)c1cccc(Cl)c1 ZINC000418785228 559416017 /nfs/dbraw/zinc/41/60/17/559416017.db2.gz DCTDAFLXRMGMGP-IYBDPMFKSA-N 1 2 370.902 2.380 20 30 FEEDLO C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000421031334 559520796 /nfs/dbraw/zinc/52/07/96/559520796.db2.gz WDSGYNQZPXZQPP-KBRIMQKVSA-N 1 2 357.454 2.384 20 30 FEEDLO C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000421031334 559520797 /nfs/dbraw/zinc/52/07/97/559520797.db2.gz WDSGYNQZPXZQPP-KBRIMQKVSA-N 1 2 357.454 2.384 20 30 FEEDLO COc1ccc2c(c1)OC(C)(C)C[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)C2 ZINC000421044628 559521501 /nfs/dbraw/zinc/52/15/01/559521501.db2.gz SSQCHSIQZSHYKI-HXUWFJFHSA-N 1 2 357.454 2.477 20 30 FEEDLO COc1ccc2c(c1)OC(C)(C)C[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)C2 ZINC000421044628 559521502 /nfs/dbraw/zinc/52/15/02/559521502.db2.gz SSQCHSIQZSHYKI-HXUWFJFHSA-N 1 2 357.454 2.477 20 30 FEEDLO C=CCOc1ccccc1CNC(=O)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000422317922 559578389 /nfs/dbraw/zinc/57/83/89/559578389.db2.gz PFEABXJCGFRONH-UHFFFAOYSA-N 1 2 353.422 2.196 20 30 FEEDLO C=CCCn1cc(C(=O)Nc2cc(C[NH+]3CCOCC3)ccc2C)nn1 ZINC000424674858 559673252 /nfs/dbraw/zinc/67/32/52/559673252.db2.gz DVWJACSPHYTFRE-UHFFFAOYSA-N 1 2 355.442 2.247 20 30 FEEDLO COc1cc(OC)cc(C(=O)N2CCN(c3cc(C)[nH+]cc3C#N)CC2)c1 ZINC000425204853 559691092 /nfs/dbraw/zinc/69/10/92/559691092.db2.gz IHECXWVYZRQQLP-UHFFFAOYSA-N 1 2 366.421 2.241 20 30 FEEDLO Cc1cc(N2CCCN(S(=O)(=O)c3ccccc3)CC2)c(C#N)c[nH+]1 ZINC000425216417 559691903 /nfs/dbraw/zinc/69/19/03/559691903.db2.gz QWVGUUSWCVBWMT-UHFFFAOYSA-N 1 2 356.451 2.163 20 30 FEEDLO COC(=O)c1cnc([C@H](C)[NH2+][C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)s1 ZINC000425480778 559704701 /nfs/dbraw/zinc/70/47/01/559704701.db2.gz FUKWJJGZCPIWRZ-GDLVEWKHSA-N 1 2 352.460 2.023 20 30 FEEDLO Cc1cc(CNC(=O)C(=O)N(C)[C@H](C)c2cccc(C#N)c2)cc(C)[nH+]1 ZINC000425909634 559724887 /nfs/dbraw/zinc/72/48/87/559724887.db2.gz QFILLWBYDJRIEH-OAHLLOKOSA-N 1 2 350.422 2.406 20 30 FEEDLO CCN1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)[C@@H](C)C1=O ZINC000425912831 559725033 /nfs/dbraw/zinc/72/50/33/559725033.db2.gz FRCMYLJWWIQIOB-ZDUSSCGKSA-N 1 2 374.510 2.380 20 30 FEEDLO CCN1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)[C@@H](C)C1=O ZINC000425912831 559725034 /nfs/dbraw/zinc/72/50/34/559725034.db2.gz FRCMYLJWWIQIOB-ZDUSSCGKSA-N 1 2 374.510 2.380 20 30 FEEDLO N#Cc1cccc(NCC(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)c1 ZINC000425953249 559726000 /nfs/dbraw/zinc/72/60/00/559726000.db2.gz RSPYHOIGMFSQCB-HXUWFJFHSA-N 1 2 364.449 2.160 20 30 FEEDLO CC[C@H](C(=O)N(C)CCOCc1ccc(C#N)cc1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000426040786 559728314 /nfs/dbraw/zinc/72/83/14/559728314.db2.gz XQZLRNPVEVTKBX-VQTJNVASSA-N 1 2 373.497 2.423 20 30 FEEDLO CC[C@H](C(=O)N(C)CCOCc1ccc(C#N)cc1)[N@H+]1CCO[C@@H](CC)C1 ZINC000426040786 559728315 /nfs/dbraw/zinc/72/83/15/559728315.db2.gz XQZLRNPVEVTKBX-VQTJNVASSA-N 1 2 373.497 2.423 20 30 FEEDLO C=CC[C@H](C(=O)N1CC[C@H](OCC[NH+]2CCOCC2)C1)c1ccccc1 ZINC000427756696 559761680 /nfs/dbraw/zinc/76/16/80/559761680.db2.gz XAWCJFZEDVQDFJ-PMACEKPBSA-N 1 2 358.482 2.296 20 30 FEEDLO C[C@H](c1ccccc1)[C@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)C(N)=O ZINC000428855337 559784968 /nfs/dbraw/zinc/78/49/68/559784968.db2.gz DCOVHKSCQAIZSV-ACJLOTCBSA-N 1 2 361.405 2.355 20 30 FEEDLO C[N@H+](CC(=O)NCc1ccc(C(=O)N2CCCC2)cc1)CC(C)(C)C#N ZINC000433324702 559876968 /nfs/dbraw/zinc/87/69/68/559876968.db2.gz FQSBEUOEMODBBJ-UHFFFAOYSA-N 1 2 356.470 2.020 20 30 FEEDLO C[N@@H+](CC(=O)NCc1ccc(C(=O)N2CCCC2)cc1)CC(C)(C)C#N ZINC000433324702 559876969 /nfs/dbraw/zinc/87/69/69/559876969.db2.gz FQSBEUOEMODBBJ-UHFFFAOYSA-N 1 2 356.470 2.020 20 30 FEEDLO N#Cc1ccc2c(c1)N(C(=O)C(=O)Nc1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC000433666416 559885864 /nfs/dbraw/zinc/88/58/64/559885864.db2.gz ZCKVQFFTEJUNEI-UHFFFAOYSA-N 1 2 357.373 2.272 20 30 FEEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000440266055 560007667 /nfs/dbraw/zinc/00/76/67/560007667.db2.gz CIXBJBSQEFEAIN-KGLIPLIRSA-N 1 2 360.483 2.039 20 30 FEEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000440266055 560007668 /nfs/dbraw/zinc/00/76/68/560007668.db2.gz CIXBJBSQEFEAIN-KGLIPLIRSA-N 1 2 360.483 2.039 20 30 FEEDLO CC(C)(C)OC(=O)C[NH2+][C@]1(C)CCN(C(=O)CCc2ccc(C#N)cc2)C1 ZINC000442814312 560058166 /nfs/dbraw/zinc/05/81/66/560058166.db2.gz HNKVQLHQYQYULL-OAQYLSRUSA-N 1 2 371.481 2.413 20 30 FEEDLO C=CCCS(=O)(=O)N1CC[N@@H+](Cc2ccccc2OCC)C[C@H]1C ZINC000443085801 560070014 /nfs/dbraw/zinc/07/00/14/560070014.db2.gz DBTBWGPQRVLOKI-MRXNPFEDSA-N 1 2 352.500 2.497 20 30 FEEDLO C=CCCS(=O)(=O)N1CC[N@H+](Cc2ccccc2OCC)C[C@H]1C ZINC000443085801 560070015 /nfs/dbraw/zinc/07/00/15/560070015.db2.gz DBTBWGPQRVLOKI-MRXNPFEDSA-N 1 2 352.500 2.497 20 30 FEEDLO CCn1nnc(C)c1C[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000449014589 560212107 /nfs/dbraw/zinc/21/21/07/560212107.db2.gz QHLNRXBVYOKKKC-UHFFFAOYSA-N 1 2 367.413 2.048 20 30 FEEDLO N#Cc1ccc(OCC(=O)NCCCn2cc[nH+]c2)cc1Br ZINC000449052423 560214428 /nfs/dbraw/zinc/21/44/28/560214428.db2.gz YFFOEDOTZHYKNE-UHFFFAOYSA-N 1 2 363.215 2.103 20 30 FEEDLO C=CCNC(=O)C[NH+]1CCN(Cc2cc(Br)ccc2C)CC1 ZINC000450215876 560254165 /nfs/dbraw/zinc/25/41/65/560254165.db2.gz LQIHWEBETHHNEA-UHFFFAOYSA-N 1 2 366.303 2.177 20 30 FEEDLO C=CCNC(=O)CN1CC[NH+](Cc2cc(Br)ccc2C)CC1 ZINC000450215876 560254166 /nfs/dbraw/zinc/25/41/66/560254166.db2.gz LQIHWEBETHHNEA-UHFFFAOYSA-N 1 2 366.303 2.177 20 30 FEEDLO Cc1[nH]c(C#N)cc1C(=O)N1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000450884053 560276583 /nfs/dbraw/zinc/27/65/83/560276583.db2.gz RCJCBALNEUXKNL-INIZCTEOSA-N 1 2 365.437 2.484 20 30 FEEDLO N#Cc1cc(N(CC[NH+]2CCOCC2)Cc2ccco2)ccc1[N+](=O)[O-] ZINC000450938809 560279299 /nfs/dbraw/zinc/27/92/99/560279299.db2.gz JXQRKDSUYVKERT-UHFFFAOYSA-N 1 2 356.382 2.398 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](c2ccccc2)[C@](F)(CO)C1 ZINC000451254245 560295989 /nfs/dbraw/zinc/29/59/89/560295989.db2.gz BHENMUWHJSFVCN-MCYKXBRJSA-N 1 2 361.461 2.229 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1C[C@@H](c2ccccc2)[C@](F)(CO)C1 ZINC000451254245 560295990 /nfs/dbraw/zinc/29/59/90/560295990.db2.gz BHENMUWHJSFVCN-MCYKXBRJSA-N 1 2 361.461 2.229 20 30 FEEDLO N#Cc1cccc(NC(=O)C[N@@H+]2C[C@H](c3ccccc3)[C@](F)(CO)C2)c1 ZINC000451256223 560296335 /nfs/dbraw/zinc/29/63/35/560296335.db2.gz DWBNZTDNGMEFCP-UYAOXDASSA-N 1 2 353.397 2.297 20 30 FEEDLO N#Cc1cccc(NC(=O)C[N@H+]2C[C@H](c3ccccc3)[C@](F)(CO)C2)c1 ZINC000451256223 560296336 /nfs/dbraw/zinc/29/63/36/560296336.db2.gz DWBNZTDNGMEFCP-UYAOXDASSA-N 1 2 353.397 2.297 20 30 FEEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H]([C@H](O)C(F)(F)F)C2)c(C#N)c1C ZINC000451899438 560335798 /nfs/dbraw/zinc/33/57/98/560335798.db2.gz ZBFDNBLDXGPSNP-NDMJEZRESA-N 1 2 359.348 2.340 20 30 FEEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CC[C@@H]([C@H](O)C(F)(F)F)C2)c(C#N)c1C ZINC000451899438 560335799 /nfs/dbraw/zinc/33/57/99/560335799.db2.gz ZBFDNBLDXGPSNP-NDMJEZRESA-N 1 2 359.348 2.340 20 30 FEEDLO COC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000452043937 560347521 /nfs/dbraw/zinc/34/75/21/560347521.db2.gz VJBZTGFHTAYNIM-KRWDZBQOSA-N 1 2 353.426 2.183 20 30 FEEDLO COC[C@@H]1CCCC[N@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000452043937 560347522 /nfs/dbraw/zinc/34/75/22/560347522.db2.gz VJBZTGFHTAYNIM-KRWDZBQOSA-N 1 2 353.426 2.183 20 30 FEEDLO Cc1cc(C#N)cc(NC(=O)C(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)c1 ZINC000453663676 560394603 /nfs/dbraw/zinc/39/46/03/560394603.db2.gz COUZXYKCULRATR-OAHLLOKOSA-N 1 2 365.437 2.020 20 30 FEEDLO CCn1cc[nH+]c1CNC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000454489466 560446668 /nfs/dbraw/zinc/44/66/68/560446668.db2.gz NVTSQUBXGAFEPT-HNNXBMFYSA-N 1 2 370.432 2.382 20 30 FEEDLO C=CCC[C@@H](CO)NC(=O)Nc1cc(N(C)C)c(Br)c[nH+]1 ZINC000455870365 560498365 /nfs/dbraw/zinc/49/83/65/560498365.db2.gz RYKLCSFEWKCTEH-JTQLQIEISA-N 1 2 357.252 2.359 20 30 FEEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 ZINC000456407391 560519502 /nfs/dbraw/zinc/51/95/02/560519502.db2.gz YSJNSPGIGHBEPC-AWEZNQCLSA-N 1 2 374.466 2.471 20 30 FEEDLO C=CCC[C@H](NC(=O)[C@H](C(C)C)[NH+]1C[C@H](C)O[C@@H](C)C1)C(=O)OCC ZINC000456636746 560526728 /nfs/dbraw/zinc/52/67/28/560526728.db2.gz YHMYBIXNPZTDBJ-QAETUUGQSA-N 1 2 354.491 2.134 20 30 FEEDLO Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNC(=O)NCC(C)(C)CC#N ZINC000459247298 560675955 /nfs/dbraw/zinc/67/59/55/560675955.db2.gz WSQJLDHRFVVPOQ-GJZGRUSLSA-N 1 2 365.453 2.443 20 30 FEEDLO Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNC(=O)NCC(C)(C)CC#N ZINC000459247298 560675957 /nfs/dbraw/zinc/67/59/57/560675957.db2.gz WSQJLDHRFVVPOQ-GJZGRUSLSA-N 1 2 365.453 2.443 20 30 FEEDLO CC(C)C[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)Cc1cnn(C)c1 ZINC000459593239 560696534 /nfs/dbraw/zinc/69/65/34/560696534.db2.gz OASNQALWMKYVNB-UHFFFAOYSA-N 1 2 360.483 2.224 20 30 FEEDLO CC(C)C[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)Cc1cnn(C)c1 ZINC000459593239 560696535 /nfs/dbraw/zinc/69/65/35/560696535.db2.gz OASNQALWMKYVNB-UHFFFAOYSA-N 1 2 360.483 2.224 20 30 FEEDLO C=CCN(Cc1cccs1)C(=O)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000459870086 560715202 /nfs/dbraw/zinc/71/52/02/560715202.db2.gz QETDRJMAQIJTSA-CQSZACIVSA-N 1 2 358.467 2.392 20 30 FEEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCC[C@]2(CNC(=O)C2)C1 ZINC000464794387 560851397 /nfs/dbraw/zinc/85/13/97/560851397.db2.gz NBHBBTKURKFJEK-BLVKFPJESA-N 1 2 372.494 2.038 20 30 FEEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCC[C@]2(CNC(=O)C2)C1 ZINC000464794387 560851399 /nfs/dbraw/zinc/85/13/99/560851399.db2.gz NBHBBTKURKFJEK-BLVKFPJESA-N 1 2 372.494 2.038 20 30 FEEDLO COC(=O)[C@@H]1C[C@@H](C2CCCCC2)C[N@@H+]1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000464819164 560852366 /nfs/dbraw/zinc/85/23/66/560852366.db2.gz RJUGEYXBFDSCNZ-OXFYSEKESA-N 1 2 361.486 2.239 20 30 FEEDLO COC(=O)[C@@H]1C[C@@H](C2CCCCC2)C[N@H+]1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000464819164 560852367 /nfs/dbraw/zinc/85/23/67/560852367.db2.gz RJUGEYXBFDSCNZ-OXFYSEKESA-N 1 2 361.486 2.239 20 30 FEEDLO COC(=O)[C@H]1C[C@@H](C2CCCCC2)C[N@@H+]1CC(=O)N(CCC#N)CCC#N ZINC000464823583 560852383 /nfs/dbraw/zinc/85/23/83/560852383.db2.gz QNGBQQQLNYQTNH-QZTJIDSGSA-N 1 2 374.485 2.086 20 30 FEEDLO COC(=O)[C@H]1C[C@@H](C2CCCCC2)C[N@H+]1CC(=O)N(CCC#N)CCC#N ZINC000464823583 560852384 /nfs/dbraw/zinc/85/23/84/560852384.db2.gz QNGBQQQLNYQTNH-QZTJIDSGSA-N 1 2 374.485 2.086 20 30 FEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1C[C@H](C2CCCCC2)C[C@@H]1C(=O)OC ZINC000464819019 560852442 /nfs/dbraw/zinc/85/24/42/560852442.db2.gz AHAMQOKGMDBAHQ-KBAYOESNSA-N 1 2 363.502 2.438 20 30 FEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1C[C@H](C2CCCCC2)C[C@@H]1C(=O)OC ZINC000464819019 560852444 /nfs/dbraw/zinc/85/24/44/560852444.db2.gz AHAMQOKGMDBAHQ-KBAYOESNSA-N 1 2 363.502 2.438 20 30 FEEDLO Cc1nc(S(=O)(=O)N2CC[NH+](CCCCC(C)(C)C#N)CC2)cs1 ZINC000470905713 560993406 /nfs/dbraw/zinc/99/34/06/560993406.db2.gz IRUGGAHAIAJUPR-UHFFFAOYSA-N 1 2 370.544 2.478 20 30 FEEDLO C=CCOc1ccccc1C[NH+]1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC000471804575 561012060 /nfs/dbraw/zinc/01/20/60/561012060.db2.gz NTJWQOXQQFXUTC-UHFFFAOYSA-N 1 2 351.454 2.487 20 30 FEEDLO C=CCCC1(C(=O)N2CC[NH+](CCNC(=O)c3ccccc3F)CC2)CC1 ZINC000475765899 561104661 /nfs/dbraw/zinc/10/46/61/561104661.db2.gz HKPNWGZTKKRHJJ-UHFFFAOYSA-N 1 2 373.472 2.446 20 30 FEEDLO Cc1cccc(CN2CC[NH+](C[C@@H](O)COc3ccccc3C#N)CC2)c1 ZINC000528341082 562323684 /nfs/dbraw/zinc/32/36/84/562323684.db2.gz UVCNGVOTZMVNFQ-OAQYLSRUSA-N 1 2 365.477 2.424 20 30 FEEDLO CNC(=O)NC[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)CCO1 ZINC000528621380 562338731 /nfs/dbraw/zinc/33/87/31/562338731.db2.gz GYYURGBCONUDHL-LJQANCHMSA-N 1 2 364.449 2.355 20 30 FEEDLO CNC(=O)NC[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)CCO1 ZINC000528621380 562338732 /nfs/dbraw/zinc/33/87/32/562338732.db2.gz GYYURGBCONUDHL-LJQANCHMSA-N 1 2 364.449 2.355 20 30 FEEDLO N#Cc1cccc(-c2nnc(C[NH2+][C@@]3(CO)COc4ccccc4C3)o2)c1 ZINC000528647862 562340318 /nfs/dbraw/zinc/34/03/18/562340318.db2.gz AHSHFRIFEXBWDG-FQEVSTJZSA-N 1 2 362.389 2.064 20 30 FEEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@@H]1c1ccc(=O)[nH]n1 ZINC000528795126 562348326 /nfs/dbraw/zinc/34/83/26/562348326.db2.gz RJRSMMYEHBOHDQ-OAHLLOKOSA-N 1 2 357.801 2.483 20 30 FEEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@@H]1c1ccc(=O)[nH]n1 ZINC000528795126 562348327 /nfs/dbraw/zinc/34/83/27/562348327.db2.gz RJRSMMYEHBOHDQ-OAHLLOKOSA-N 1 2 357.801 2.483 20 30 FEEDLO COCc1ccc(NC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)cc1C#N ZINC000529205985 562364557 /nfs/dbraw/zinc/36/45/57/562364557.db2.gz LAFPJRGGDCEEEB-SFHVURJKSA-N 1 2 358.442 2.033 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Cn3cc4ccccc4n3)CC2)cc1 ZINC000530648048 562418998 /nfs/dbraw/zinc/41/89/98/562418998.db2.gz AXNDFGSAFIRSBR-UHFFFAOYSA-N 1 2 359.433 2.252 20 30 FEEDLO Cc1sc(NC(=O)C[N@@H+]2CCC[C@@H](N3CCCC3=O)C2)c(C#N)c1C ZINC000532582453 562482350 /nfs/dbraw/zinc/48/23/50/562482350.db2.gz YZIXYBGPVVBOMT-CQSZACIVSA-N 1 2 360.483 2.262 20 30 FEEDLO Cc1sc(NC(=O)C[N@H+]2CCC[C@@H](N3CCCC3=O)C2)c(C#N)c1C ZINC000532582453 562482351 /nfs/dbraw/zinc/48/23/51/562482351.db2.gz YZIXYBGPVVBOMT-CQSZACIVSA-N 1 2 360.483 2.262 20 30 FEEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+](C)[C@H]1CCNC1=O ZINC000533932672 562521645 /nfs/dbraw/zinc/52/16/45/562521645.db2.gz JFFKMAYWZGKZIM-FZMZJTMJSA-N 1 2 360.483 2.036 20 30 FEEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+](C)[C@H]1CCNC1=O ZINC000533932672 562521646 /nfs/dbraw/zinc/52/16/46/562521646.db2.gz JFFKMAYWZGKZIM-FZMZJTMJSA-N 1 2 360.483 2.036 20 30 FEEDLO COC(=O)c1cccc(C[N@@H+]2CCCC[C@@H]2CN2CCOCC2)c1C#N ZINC000534470301 562534807 /nfs/dbraw/zinc/53/48/07/562534807.db2.gz QDXVEKUCKMEFRP-QGZVFWFLSA-N 1 2 357.454 2.032 20 30 FEEDLO COC(=O)c1cccc(C[N@H+]2CCCC[C@@H]2CN2CCOCC2)c1C#N ZINC000534470301 562534808 /nfs/dbraw/zinc/53/48/08/562534808.db2.gz QDXVEKUCKMEFRP-QGZVFWFLSA-N 1 2 357.454 2.032 20 30 FEEDLO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)Nc2ccc(C#N)cc2Cl)C1 ZINC000534540240 562536361 /nfs/dbraw/zinc/53/63/61/562536361.db2.gz GIKVUPQBFDZTSF-KRWDZBQOSA-N 1 2 368.824 2.453 20 30 FEEDLO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)Nc2ccc(C#N)cc2Cl)C1 ZINC000534540240 562536362 /nfs/dbraw/zinc/53/63/62/562536362.db2.gz GIKVUPQBFDZTSF-KRWDZBQOSA-N 1 2 368.824 2.453 20 30 FEEDLO CC(=O)NCC[N@H+](Cc1ccc(CC#N)cc1)[C@H](C)C(=O)OC(C)(C)C ZINC000541327113 562609516 /nfs/dbraw/zinc/60/95/16/562609516.db2.gz SMLKCTFNOPNEAP-OAHLLOKOSA-N 1 2 359.470 2.421 20 30 FEEDLO CC(=O)NCC[N@@H+](Cc1ccc(CC#N)cc1)[C@H](C)C(=O)OC(C)(C)C ZINC000541327113 562609517 /nfs/dbraw/zinc/60/95/17/562609517.db2.gz SMLKCTFNOPNEAP-OAHLLOKOSA-N 1 2 359.470 2.421 20 30 FEEDLO CC(C)(C#N)c1ccc(C(=O)N2CC[NH+](CCc3cnccn3)CC2)cc1 ZINC000601888881 567865024 /nfs/dbraw/zinc/86/50/24/567865024.db2.gz ZYULHNGERHEVBG-UHFFFAOYSA-N 1 2 363.465 2.278 20 30 FEEDLO Cc1cn2ccc(C(=O)N3CCN(Cc4ccccc4)[C@@H](C#N)C3)cc2[nH+]1 ZINC000602099124 567926526 /nfs/dbraw/zinc/92/65/26/567926526.db2.gz YISRDIXAESEFSL-IBGZPJMESA-N 1 2 359.433 2.493 20 30 FEEDLO CC1(C#N)CC[NH+](Cc2ccc(S(N)(=O)=O)c(Br)c2)CC1 ZINC000602607693 567997242 /nfs/dbraw/zinc/99/72/42/567997242.db2.gz SNRXFMLHAVOLPD-UHFFFAOYSA-N 1 2 372.288 2.222 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH+]2C[C@@H](C)N(CC#N)[C@H](C)C2)c1 ZINC000602854552 568002068 /nfs/dbraw/zinc/00/20/68/568002068.db2.gz BTYRYAQVPMUXCZ-RTBURBONSA-N 1 2 367.497 2.468 20 30 FEEDLO COc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602854775 568002116 /nfs/dbraw/zinc/00/21/16/568002116.db2.gz DFCKQXMWCKDPTG-YVSFHVDLSA-N 1 2 358.486 2.179 20 30 FEEDLO COc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602854775 568002117 /nfs/dbraw/zinc/00/21/17/568002117.db2.gz DFCKQXMWCKDPTG-YVSFHVDLSA-N 1 2 358.486 2.179 20 30 FEEDLO COC(=O)c1ccc(C)c(NC(=O)[C@H](C)[NH+]2C[C@@H](C)N(CC#N)[C@H](C)C2)c1 ZINC000602857123 568002584 /nfs/dbraw/zinc/00/25/84/568002584.db2.gz PHRSNEQMARAPGB-OAGGEKHMSA-N 1 2 372.469 2.027 20 30 FEEDLO Cc1ncc(C[NH+]2CCN(C(=O)NCc3ccc(C#N)s3)CC2)s1 ZINC000568381076 568035538 /nfs/dbraw/zinc/03/55/38/568035538.db2.gz OVLXILZDLMYTBM-UHFFFAOYSA-N 1 2 361.496 2.412 20 30 FEEDLO C[N@H+](CC(=O)NCCc1cnn(-c2ccccc2)c1)[C@@H]1CCC[C@H]1C#N ZINC000602980444 568037028 /nfs/dbraw/zinc/03/70/28/568037028.db2.gz QCTVNWZTYJAETG-PKOBYXMFSA-N 1 2 351.454 2.155 20 30 FEEDLO C[N@@H+](CC(=O)NCCc1cnn(-c2ccccc2)c1)[C@@H]1CCC[C@H]1C#N ZINC000602980444 568037029 /nfs/dbraw/zinc/03/70/29/568037029.db2.gz QCTVNWZTYJAETG-PKOBYXMFSA-N 1 2 351.454 2.155 20 30 FEEDLO CC#CC[NH2+]Cc1cn([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)nn1 ZINC000603188131 568071763 /nfs/dbraw/zinc/07/17/63/568071763.db2.gz HUINPGYVPVVZOT-GFCCVEGCSA-N 1 2 356.817 2.116 20 30 FEEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)n1cc(Cn2cc[nH+]c2)nn1 ZINC000603195043 568072577 /nfs/dbraw/zinc/07/25/77/568072577.db2.gz HSUXXZJUNMJTRZ-CQSZACIVSA-N 1 2 367.388 2.170 20 30 FEEDLO CC#CC[NH2+]Cc1cn([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)nn1 ZINC000603204535 568073360 /nfs/dbraw/zinc/07/33/60/568073360.db2.gz UYWVDLAWUPRTDH-GFCCVEGCSA-N 1 2 368.466 2.013 20 30 FEEDLO C=CC(C)(C)CCNC(=O)C(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000636846116 568134275 /nfs/dbraw/zinc/13/42/75/568134275.db2.gz XKRWZEOLQVNLLV-UHFFFAOYSA-N 1 2 368.481 2.461 20 30 FEEDLO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000568943107 568256410 /nfs/dbraw/zinc/25/64/10/568256410.db2.gz QKJBFMZCTOOJGW-UHFFFAOYSA-N 1 2 353.382 2.192 20 30 FEEDLO COC(=O)c1cc(C[NH+]2CCN(c3cnccc3C#N)CC2)c(C)s1 ZINC000569783526 568424202 /nfs/dbraw/zinc/42/42/02/568424202.db2.gz HPACYLZKTOCUMX-UHFFFAOYSA-N 1 2 356.451 2.432 20 30 FEEDLO CC(C)CN1C[C@@H]2C[N@H+](Cc3cn4ccccc4c3C#N)CCN2C1=O ZINC000569903322 568435064 /nfs/dbraw/zinc/43/50/64/568435064.db2.gz OPHKJUQNXXMGCJ-KRWDZBQOSA-N 1 2 351.454 2.389 20 30 FEEDLO CC(C)CN1C[C@@H]2C[N@@H+](Cc3cn4ccccc4c3C#N)CCN2C1=O ZINC000569903322 568435066 /nfs/dbraw/zinc/43/50/66/568435066.db2.gz OPHKJUQNXXMGCJ-KRWDZBQOSA-N 1 2 351.454 2.389 20 30 FEEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2ccc(F)c(-c3nn[nH]n3)c2)c1 ZINC000819710215 606962607 /nfs/dbraw/zinc/96/26/07/606962607.db2.gz ZJIBSGAQKISYAI-UHFFFAOYSA-N 1 2 364.384 2.058 20 30 FEEDLO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2ccc(F)c(-c3nn[nH]n3)c2)c1 ZINC000819710215 606962608 /nfs/dbraw/zinc/96/26/08/606962608.db2.gz ZJIBSGAQKISYAI-UHFFFAOYSA-N 1 2 364.384 2.058 20 30 FEEDLO Cc1oc(NC(=O)[C@@H](C)[NH+]2CCC(CC#N)CC2)c(-c2nn[nH]n2)c1C ZINC000826341512 609431494 /nfs/dbraw/zinc/43/14/94/609431494.db2.gz JMTFJTJAGSSDOE-LLVKDONJSA-N 1 2 357.418 2.029 20 30 FEEDLO CN(C)S(=O)(=O)c1ccc(N[NH+]=Cc2ccc3c(c2)CCN3C)cc1 ZINC000812231003 674658669 /nfs/dbraw/zinc/65/86/69/674658669.db2.gz HPEUWYAEEDTVLT-UHFFFAOYSA-N 1 2 358.467 2.375 20 30 FEEDLO COC(=O)c1cccc(C[NH+]2CCN(c3snc(C)c3C#N)CC2)c1 ZINC000563574425 674909836 /nfs/dbraw/zinc/90/98/36/674909836.db2.gz YSEXDIOMSRXVSY-UHFFFAOYSA-N 1 2 356.451 2.432 20 30 FEEDLO CC[C@H]1CN(S(=O)(=O)c2ccc(C#N)o2)CC[N@@H+]1Cc1ccccc1 ZINC000565126498 675096418 /nfs/dbraw/zinc/09/64/18/675096418.db2.gz XAOGKSMSYJYAER-INIZCTEOSA-N 1 2 359.451 2.436 20 30 FEEDLO CC[C@H]1CN(S(=O)(=O)c2ccc(C#N)o2)CC[N@H+]1Cc1ccccc1 ZINC000565126498 675096419 /nfs/dbraw/zinc/09/64/19/675096419.db2.gz XAOGKSMSYJYAER-INIZCTEOSA-N 1 2 359.451 2.436 20 30 FEEDLO C#CCC[NH+]1CCN(C(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000103079191 670779222 /nfs/dbraw/zinc/77/92/22/670779222.db2.gz RPNHAQKIEICAEL-UHFFFAOYSA-N 1 2 363.439 2.106 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000106867884 670815128 /nfs/dbraw/zinc/81/51/28/670815128.db2.gz SWIFFXQZWQORQG-SUNYJGFJSA-N 1 2 352.479 2.028 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000106867884 670815133 /nfs/dbraw/zinc/81/51/33/670815133.db2.gz SWIFFXQZWQORQG-SUNYJGFJSA-N 1 2 352.479 2.028 20 30 FEEDLO CC(C)(C)c1csc(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)n1 ZINC000566107476 675181496 /nfs/dbraw/zinc/18/14/96/675181496.db2.gz LHANSVAOQCGBHH-UHFFFAOYSA-N 1 2 364.496 2.271 20 30 FEEDLO C=CCN(C)C(=O)C(=O)N[C@H]1CC[N@@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000574478169 671244903 /nfs/dbraw/zinc/24/49/03/671244903.db2.gz WDOHWJCUWVCJKX-JKSUJKDBSA-N 1 2 367.852 2.375 20 30 FEEDLO C=CCN(C)C(=O)C(=O)N[C@H]1CC[N@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000574478169 671244907 /nfs/dbraw/zinc/24/49/07/671244907.db2.gz WDOHWJCUWVCJKX-JKSUJKDBSA-N 1 2 367.852 2.375 20 30 FEEDLO Cc1csc(NC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)c1C#N ZINC000579369991 671731379 /nfs/dbraw/zinc/73/13/79/671731379.db2.gz UMECYZVJGRKJKD-MRXNPFEDSA-N 1 2 366.512 2.258 20 30 FEEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1c1ncc(Br)cc1C#N ZINC000582587101 672015666 /nfs/dbraw/zinc/01/56/66/672015666.db2.gz ZZSSBYROXFZINK-RISCZKNCSA-N 1 2 351.248 2.015 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)N[C@H]2CCn3cc[nH+]c3C2)c(C(F)(F)F)c1 ZINC000584875159 672224140 /nfs/dbraw/zinc/22/41/40/672224140.db2.gz VTFGDQGTGVJOEW-NSHDSACASA-N 1 2 370.356 2.067 20 30 FEEDLO C[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592144669 672763485 /nfs/dbraw/zinc/76/34/85/672763485.db2.gz HRNJWLUUFRELLM-ABAIWWIYSA-N 1 2 357.332 2.263 20 30 FEEDLO C[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592144669 672763487 /nfs/dbraw/zinc/76/34/87/672763487.db2.gz HRNJWLUUFRELLM-ABAIWWIYSA-N 1 2 357.332 2.263 20 30 FEEDLO COCCOCC[NH+]1CCN(C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000593135897 672881482 /nfs/dbraw/zinc/88/14/82/672881482.db2.gz HYQSYJWONIRKSJ-UHFFFAOYSA-N 1 2 366.849 2.024 20 30 FEEDLO C[N@H+](CC(=O)N[C@@H]1CCS(=O)(=O)c2ccccc21)[C@@H]1CCSC1 ZINC000328936767 673069890 /nfs/dbraw/zinc/06/98/90/673069890.db2.gz QXAPMQLVXZVYME-TZMCWYRMSA-N 1 2 354.497 2.299 20 30 FEEDLO C[N@@H+](CC(=O)N[C@@H]1CCS(=O)(=O)c2ccccc21)[C@@H]1CCSC1 ZINC000328936767 673069891 /nfs/dbraw/zinc/06/98/91/673069891.db2.gz QXAPMQLVXZVYME-TZMCWYRMSA-N 1 2 354.497 2.299 20 30 FEEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CCCCN1C(=O)c1cccs1 ZINC000329080286 673071866 /nfs/dbraw/zinc/07/18/66/673071866.db2.gz CMOFPUPBKZCLPW-CABCVRRESA-N 1 2 365.499 2.420 20 30 FEEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CCCCN1C(=O)c1cccs1 ZINC000329080286 673071870 /nfs/dbraw/zinc/07/18/70/673071870.db2.gz CMOFPUPBKZCLPW-CABCVRRESA-N 1 2 365.499 2.420 20 30 FEEDLO Cc1cccc(S(=O)(=O)NC[C@H]2CC[N@@H+]2Cc2ccccc2)c1C#N ZINC000595392633 673240916 /nfs/dbraw/zinc/24/09/16/673240916.db2.gz KDESJJCPPHRVRG-QGZVFWFLSA-N 1 2 355.463 2.420 20 30 FEEDLO Cc1cccc(S(=O)(=O)NC[C@H]2CC[N@H+]2Cc2ccccc2)c1C#N ZINC000595392633 673240919 /nfs/dbraw/zinc/24/09/19/673240919.db2.gz KDESJJCPPHRVRG-QGZVFWFLSA-N 1 2 355.463 2.420 20 30 FEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC(=O)Nc1cc(Cl)ccc1Cl ZINC000730281191 673268549 /nfs/dbraw/zinc/26/85/49/673268549.db2.gz QKPBCCOFNFUWRA-AWEZNQCLSA-N 1 2 354.237 2.146 20 30 FEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC(=O)Nc1cc(Cl)ccc1Cl ZINC000730281191 673268551 /nfs/dbraw/zinc/26/85/51/673268551.db2.gz QKPBCCOFNFUWRA-AWEZNQCLSA-N 1 2 354.237 2.146 20 30 FEEDLO Cn1cc(C[N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCC3)nn1 ZINC000595757474 673289543 /nfs/dbraw/zinc/28/95/43/673289543.db2.gz DSHWBRLLTLSZTD-UHFFFAOYSA-N 1 2 358.471 2.088 20 30 FEEDLO Cn1cc(C[N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCC3)nn1 ZINC000595757474 673289545 /nfs/dbraw/zinc/28/95/45/673289545.db2.gz DSHWBRLLTLSZTD-UHFFFAOYSA-N 1 2 358.471 2.088 20 30 FEEDLO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](CO)c1cccc(Cl)c1Cl ZINC000595828262 673328365 /nfs/dbraw/zinc/32/83/65/673328365.db2.gz JOCDSTDTVTXOCC-BXKDBHETSA-N 1 2 360.241 2.017 20 30 FEEDLO C[C@](C#N)(NC(=O)C[NH2+][C@@H](CO)c1cccc(Cl)c1Cl)C1CC1 ZINC000595828591 673328554 /nfs/dbraw/zinc/32/85/54/673328554.db2.gz LGUYVZNHMVRYTG-XJKSGUPXSA-N 1 2 356.253 2.425 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)N2CCC(CCCn3cc[nH+]c3)CC2)cn1 ZINC000542122625 673562739 /nfs/dbraw/zinc/56/27/39/673562739.db2.gz HCNPBVLSNVRMIJ-UHFFFAOYSA-N 1 2 359.455 2.031 20 30 FEEDLO Cc1nc(SCC(=O)N[C@H]2CCn3c[nH+]cc3C2)c(C#N)c(C)c1C ZINC000598946712 673624275 /nfs/dbraw/zinc/62/42/75/673624275.db2.gz INYLQCSTAWUYHJ-AWEZNQCLSA-N 1 2 355.467 2.298 20 30 FEEDLO CCC(CC)[C@@H](CNS(=O)(=O)CC1(C#N)CCCC1)[NH+]1CCOCC1 ZINC000545384438 673764766 /nfs/dbraw/zinc/76/47/66/673764766.db2.gz BCNFASOYWZPRLG-QGZVFWFLSA-N 1 2 371.547 2.127 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC000545933491 673783544 /nfs/dbraw/zinc/78/35/44/673783544.db2.gz WAGLUSSHRBGNRS-WQVCFCJDSA-N 1 2 363.424 2.455 20 30 FEEDLO N#Cc1cccc(C[NH+]2CCN(c3ccc(Br)cn3)CC2)n1 ZINC000602442087 673906330 /nfs/dbraw/zinc/90/63/30/673906330.db2.gz UGJICCWWEQTSBB-UHFFFAOYSA-N 1 2 358.243 2.433 20 30 FEEDLO Cc1nc(SCC(=O)N[C@@H]2CCn3cc[nH+]c3C2)c(C#N)c(C)c1C ZINC000548638831 673982796 /nfs/dbraw/zinc/98/27/96/673982796.db2.gz YVARRDYQCUAQEL-CQSZACIVSA-N 1 2 355.467 2.298 20 30 FEEDLO C=CCCOCC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000677978554 679707420 /nfs/dbraw/zinc/70/74/20/679707420.db2.gz HYBGFNWBLBBVDY-WMZOPIPTSA-N 1 2 352.862 2.421 20 30 FEEDLO C=CCCOCC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000677978554 679707424 /nfs/dbraw/zinc/70/74/24/679707424.db2.gz HYBGFNWBLBBVDY-WMZOPIPTSA-N 1 2 352.862 2.421 20 30 FEEDLO C=CCOc1c(Cl)cc(C[N@H+](C)CC(=O)N2CCOCC2)cc1OC ZINC000628120514 676791023 /nfs/dbraw/zinc/79/10/23/676791023.db2.gz QSXJBYZVTQOAHA-UHFFFAOYSA-N 1 2 368.861 2.204 20 30 FEEDLO C=CCOc1c(Cl)cc(C[N@@H+](C)CC(=O)N2CCOCC2)cc1OC ZINC000628120514 676791024 /nfs/dbraw/zinc/79/10/24/676791024.db2.gz QSXJBYZVTQOAHA-UHFFFAOYSA-N 1 2 368.861 2.204 20 30 FEEDLO C=CCCOCCNC(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000633140675 677033539 /nfs/dbraw/zinc/03/35/39/677033539.db2.gz VCSQXCOKHTTYNM-UHFFFAOYSA-N 1 2 350.488 2.027 20 30 FEEDLO CC#CC[NH2+]Cc1cn(CC(=O)Nc2c(Cl)cccc2Cl)nn1 ZINC000640772502 677188244 /nfs/dbraw/zinc/18/82/44/677188244.db2.gz ZUQSBWZCYFKMNX-UHFFFAOYSA-N 1 2 352.225 2.337 20 30 FEEDLO CC#CC[NH2+]Cc1cn(Cc2nnc(-c3cc(C)c(CC)s3)o2)nn1 ZINC000640854453 677190034 /nfs/dbraw/zinc/19/00/34/677190034.db2.gz WYKMAOPRHOCLHQ-UHFFFAOYSA-N 1 2 356.455 2.422 20 30 FEEDLO CC(C)(C[NH+]1CCOCC1)NC(=O)C#Cc1ccc(C(F)(F)F)cc1 ZINC000840523824 680829250 /nfs/dbraw/zinc/82/92/50/680829250.db2.gz RJOHMRKMMYOJSR-UHFFFAOYSA-N 1 2 354.372 2.284 20 30 FEEDLO C=C(Br)C[N@@H+]1CC[C@]2(NC(=O)[C@]34C[C@H]3COC4)CCC[C@H]12 ZINC000990786444 680073296 /nfs/dbraw/zinc/07/32/96/680073296.db2.gz BXCYZZWKFFFNOB-DARAHFNDSA-N 1 2 355.276 2.045 20 30 FEEDLO C=C(Br)C[N@H+]1CC[C@]2(NC(=O)[C@]34C[C@H]3COC4)CCC[C@H]12 ZINC000990786444 680073300 /nfs/dbraw/zinc/07/33/00/680073300.db2.gz BXCYZZWKFFFNOB-DARAHFNDSA-N 1 2 355.276 2.045 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H]([N@H+](C)Cc2snnc2C)C1 ZINC001027613299 680361601 /nfs/dbraw/zinc/36/16/01/680361601.db2.gz VZFWDJOHOMWNCN-ZOBUZTSGSA-N 1 2 364.515 2.251 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H]([N@@H+](C)Cc2snnc2C)C1 ZINC001027613299 680361602 /nfs/dbraw/zinc/36/16/02/680361602.db2.gz VZFWDJOHOMWNCN-ZOBUZTSGSA-N 1 2 364.515 2.251 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC(C[N@@H+](C)Cc2csnn2)CC1 ZINC001030002084 680396480 /nfs/dbraw/zinc/39/64/80/680396480.db2.gz BSLQYDBJNJNHJN-IRXDYDNUSA-N 1 2 364.515 2.190 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC(C[N@H+](C)Cc2csnn2)CC1 ZINC001030002084 680396484 /nfs/dbraw/zinc/39/64/84/680396484.db2.gz BSLQYDBJNJNHJN-IRXDYDNUSA-N 1 2 364.515 2.190 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1C[NH+](Cc2cc(F)cc(F)c2)C1 ZINC001032047093 680412234 /nfs/dbraw/zinc/41/22/34/680412234.db2.gz PQWCQQZGYLJYNR-ROUUACIJSA-N 1 2 350.409 2.494 20 30 FEEDLO N#Cc1ccc(NC(=O)COC(=O)CCc2ccc(N)[nH+]c2)cc1Cl ZINC000759814754 680668655 /nfs/dbraw/zinc/66/86/55/680668655.db2.gz MAHOMILTTDLODR-UHFFFAOYSA-N 1 2 358.785 2.303 20 30 FEEDLO CC([NH2+]Nc1ccccc1S(=O)(=O)N1CCOCC1)=C1CC1(F)F ZINC000841628180 680904116 /nfs/dbraw/zinc/90/41/16/680904116.db2.gz OYWUJHZKTUSXGC-GFCCVEGCSA-N 1 2 359.398 2.151 20 30 FEEDLO COC[C@@H](C[N@@H+]1CCO[C@H](C)C1)OC(=O)c1ccc(C#N)c(Cl)c1 ZINC000842973011 680979511 /nfs/dbraw/zinc/97/95/11/680979511.db2.gz KHIQHZYBZUACOU-IUODEOHRSA-N 1 2 352.818 2.104 20 30 FEEDLO COC[C@@H](C[N@H+]1CCO[C@H](C)C1)OC(=O)c1ccc(C#N)c(Cl)c1 ZINC000842973011 680979514 /nfs/dbraw/zinc/97/95/14/680979514.db2.gz KHIQHZYBZUACOU-IUODEOHRSA-N 1 2 352.818 2.104 20 30 FEEDLO C=CCCCCNC(=O)N1CC[N@@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000771377083 681053240 /nfs/dbraw/zinc/05/32/40/681053240.db2.gz PSPVUWKREIHJNP-OAHLLOKOSA-N 1 2 354.495 2.193 20 30 FEEDLO C=CCCCCNC(=O)N1CC[N@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000771377083 681053242 /nfs/dbraw/zinc/05/32/42/681053242.db2.gz PSPVUWKREIHJNP-OAHLLOKOSA-N 1 2 354.495 2.193 20 30 FEEDLO C[N@H+](CC(=O)OCC(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H]1CCSC1 ZINC000772035376 681079384 /nfs/dbraw/zinc/07/93/84/681079384.db2.gz GNKJHTBCNGXJCC-CYBMUJFWSA-N 1 2 367.858 2.131 20 30 FEEDLO C[N@@H+](CC(=O)OCC(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H]1CCSC1 ZINC000772035376 681079387 /nfs/dbraw/zinc/07/93/87/681079387.db2.gz GNKJHTBCNGXJCC-CYBMUJFWSA-N 1 2 367.858 2.131 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2nn(C)cc2Cl)CC1 ZINC001052723438 681084652 /nfs/dbraw/zinc/08/46/52/681084652.db2.gz RSELHJZIVLBKEG-VBQJREDUSA-N 1 2 366.893 2.135 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2nn(C)cc2Cl)CC1 ZINC001052723438 681084654 /nfs/dbraw/zinc/08/46/54/681084654.db2.gz RSELHJZIVLBKEG-VBQJREDUSA-N 1 2 366.893 2.135 20 30 FEEDLO CN(C(=O)C[NH+]1CCC(CO)(C(F)(F)F)CC1)C1(C#N)CCCCC1 ZINC000932823128 681317188 /nfs/dbraw/zinc/31/71/88/681317188.db2.gz KIHOILKVOAGCRT-UHFFFAOYSA-N 1 2 361.408 2.308 20 30 FEEDLO O=C(C[N@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)N1CCC1 ZINC000932943790 681332010 /nfs/dbraw/zinc/33/20/10/681332010.db2.gz OQPITZXLDLGORJ-OCAPTIKFSA-N 1 2 366.252 2.322 20 30 FEEDLO O=C(C[N@@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)N1CCC1 ZINC000932943790 681332013 /nfs/dbraw/zinc/33/20/13/681332013.db2.gz OQPITZXLDLGORJ-OCAPTIKFSA-N 1 2 366.252 2.322 20 30 FEEDLO C=C(Cl)C(C)(C)C(=O)N1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000938575780 681941754 /nfs/dbraw/zinc/94/17/54/681941754.db2.gz MNBSLAXYGKQOSN-MGPQQGTHSA-N 1 2 364.877 2.351 20 30 FEEDLO C=C(Cl)C(C)(C)C(=O)N1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000938575780 681941758 /nfs/dbraw/zinc/94/17/58/681941758.db2.gz MNBSLAXYGKQOSN-MGPQQGTHSA-N 1 2 364.877 2.351 20 30 FEEDLO CS(=O)(=O)c1ccc(N[NH+]=Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000914834729 685510078 /nfs/dbraw/zinc/51/00/78/685510078.db2.gz PUODVMHZYSMJEL-UHFFFAOYSA-N 1 2 359.451 2.373 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3csc(C4CC4)n3)C[C@H]21 ZINC000961826304 682100394 /nfs/dbraw/zinc/10/03/94/682100394.db2.gz OJOPOHOWBJFQCV-NRKLIOEPSA-N 1 2 359.495 2.158 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3csc(C4CC4)n3)C[C@H]21 ZINC000961826304 682100400 /nfs/dbraw/zinc/10/04/00/682100400.db2.gz OJOPOHOWBJFQCV-NRKLIOEPSA-N 1 2 359.495 2.158 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@@H+]1Cc1cnns1 ZINC000968861446 682246715 /nfs/dbraw/zinc/24/67/15/682246715.db2.gz NFOYJZHHTQRBSI-UAGQMJEPSA-N 1 2 364.515 2.380 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@H+]1Cc1cnns1 ZINC000968861446 682246718 /nfs/dbraw/zinc/24/67/18/682246718.db2.gz NFOYJZHHTQRBSI-UAGQMJEPSA-N 1 2 364.515 2.380 20 30 FEEDLO C#C[C@@H](NC(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1)[C@H]1CCCO1 ZINC000785894209 682335303 /nfs/dbraw/zinc/33/53/03/682335303.db2.gz OLTWYGSAFWVJCJ-QZTJIDSGSA-N 1 2 361.873 2.178 20 30 FEEDLO C#C[C@@H](NC(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1)[C@H]1CCCO1 ZINC000785894209 682335309 /nfs/dbraw/zinc/33/53/09/682335309.db2.gz OLTWYGSAFWVJCJ-QZTJIDSGSA-N 1 2 361.873 2.178 20 30 FEEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3sccc3C)C2)C1 ZINC000972379815 682411681 /nfs/dbraw/zinc/41/16/81/682411681.db2.gz ANWMLVMKHPHPHZ-MBOZVWFJSA-N 1 2 358.507 2.487 20 30 FEEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3sccc3C)C2)C1 ZINC000972379815 682411685 /nfs/dbraw/zinc/41/16/85/682411685.db2.gz ANWMLVMKHPHPHZ-MBOZVWFJSA-N 1 2 358.507 2.487 20 30 FEEDLO N#Cc1ncc(Br)cc1N1CC[NH+](Cc2ccncc2)CC1 ZINC000787890021 682487585 /nfs/dbraw/zinc/48/75/85/682487585.db2.gz WKLCRNKXQYJWOU-UHFFFAOYSA-N 1 2 358.243 2.433 20 30 FEEDLO N#Cc1c(=O)n(C[N@@H+]2CCSC3(CCOCC3)C2)cc2c1CCCC2 ZINC000793516265 682894125 /nfs/dbraw/zinc/89/41/25/682894125.db2.gz MNXRPGDWAWHMCK-UHFFFAOYSA-N 1 2 359.495 2.154 20 30 FEEDLO N#Cc1c(=O)n(C[N@H+]2CCSC3(CCOCC3)C2)cc2c1CCCC2 ZINC000793516265 682894127 /nfs/dbraw/zinc/89/41/27/682894127.db2.gz MNXRPGDWAWHMCK-UHFFFAOYSA-N 1 2 359.495 2.154 20 30 FEEDLO Cn1c(CC#N)nn(CN2CCC(CCCn3cc[nH+]c3)CC2)c1=S ZINC000794641922 682986221 /nfs/dbraw/zinc/98/62/21/682986221.db2.gz YOYZGDQSNBYIMR-UHFFFAOYSA-N 1 2 359.503 2.364 20 30 FEEDLO C[N@H+](CCCOc1cccc(S(C)(=O)=O)c1)Cc1cncc(C#N)c1 ZINC000929416523 683592480 /nfs/dbraw/zinc/59/24/80/683592480.db2.gz NLPSIBSFDMGSAZ-UHFFFAOYSA-N 1 2 359.451 2.258 20 30 FEEDLO C[N@@H+](CCCOc1cccc(S(C)(=O)=O)c1)Cc1cncc(C#N)c1 ZINC000929416523 683592484 /nfs/dbraw/zinc/59/24/84/683592484.db2.gz NLPSIBSFDMGSAZ-UHFFFAOYSA-N 1 2 359.451 2.258 20 30 FEEDLO N#CC1(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CCSCC1 ZINC000929474400 683601411 /nfs/dbraw/zinc/60/14/11/683601411.db2.gz UEFZPSGCAKVPPX-KRWDZBQOSA-N 1 2 359.495 2.041 20 30 FEEDLO N#CC1(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CCSCC1 ZINC000929474400 683601417 /nfs/dbraw/zinc/60/14/17/683601417.db2.gz UEFZPSGCAKVPPX-KRWDZBQOSA-N 1 2 359.495 2.041 20 30 FEEDLO C#CCC1(O)CCN(C(=O)CSCc2cn3cc(C)ccc3[nH+]2)CC1 ZINC000922195345 683677003 /nfs/dbraw/zinc/67/70/03/683677003.db2.gz IJHKJRPSJRBGFV-UHFFFAOYSA-N 1 2 357.479 2.253 20 30 FEEDLO C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000864883577 683904609 /nfs/dbraw/zinc/90/46/09/683904609.db2.gz CFSYNYVDGCTWIX-STQMWFEESA-N 1 2 356.854 2.424 20 30 FEEDLO N#C[C@@H](NC(=O)/C=C/C[NH+]1CCOCC1)c1ccccc1Br ZINC000865832428 684034649 /nfs/dbraw/zinc/03/46/49/684034649.db2.gz QCHJOEOLWJILRL-YFCVBGDOSA-N 1 2 364.243 2.018 20 30 FEEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCc2c(=O)[nH]n(C)c2C1 ZINC000931196094 684238489 /nfs/dbraw/zinc/23/84/89/684238489.db2.gz FHUANKAJAINNLQ-SNVBAGLBSA-N 1 2 359.817 2.036 20 30 FEEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCc2c(=O)[nH]n(C)c2C1 ZINC000931196094 684238491 /nfs/dbraw/zinc/23/84/91/684238491.db2.gz FHUANKAJAINNLQ-SNVBAGLBSA-N 1 2 359.817 2.036 20 30 FEEDLO C=CCCC[C@@H]1NC(=O)N(Cc2cc[nH+]c(N3CCSCC3)c2)C1=O ZINC000925040605 684519398 /nfs/dbraw/zinc/51/93/98/684519398.db2.gz OPJXDYQKYFIMDR-HNNXBMFYSA-N 1 2 360.483 2.412 20 30 FEEDLO C=C(C)[C@@H](CC(=O)NC1CC[NH+](CC(=O)OC(C)(C)C)CC1)OCC ZINC000871542519 684827242 /nfs/dbraw/zinc/82/72/42/684827242.db2.gz GIFAZKCKLFLBBP-MRXNPFEDSA-N 1 2 354.491 2.280 20 30 FEEDLO CN(C)S(=O)(=O)c1cccc(C[NH2+]Cc2cc(C#N)cnc2Cl)c1 ZINC000877565464 686410642 /nfs/dbraw/zinc/41/06/42/686410642.db2.gz ZXGYTNSYBBBKPX-UHFFFAOYSA-N 1 2 364.858 2.147 20 30 FEEDLO CN(C)c1ccc(C#N)cc1C[N@@H+]1CC[C@@](C)(NC(=O)C(F)(F)F)C1 ZINC000877773093 686451554 /nfs/dbraw/zinc/45/15/54/686451554.db2.gz DNVAFNMBWFJDLI-MRXNPFEDSA-N 1 2 354.376 2.267 20 30 FEEDLO CN(C)c1ccc(C#N)cc1C[N@H+]1CC[C@@](C)(NC(=O)C(F)(F)F)C1 ZINC000877773093 686451556 /nfs/dbraw/zinc/45/15/56/686451556.db2.gz DNVAFNMBWFJDLI-MRXNPFEDSA-N 1 2 354.376 2.267 20 30 FEEDLO CC(=O)[C@](C#N)(CC[N@@H+]1CCCC[C@H](S(C)(=O)=O)C1)c1ccccc1 ZINC000878519055 686600041 /nfs/dbraw/zinc/60/00/41/686600041.db2.gz ZJAAOHVGWRCQKD-RBUKOAKNSA-N 1 2 362.495 2.326 20 30 FEEDLO CC(=O)[C@](C#N)(CC[N@H+]1CCCC[C@H](S(C)(=O)=O)C1)c1ccccc1 ZINC000878519055 686600044 /nfs/dbraw/zinc/60/00/44/686600044.db2.gz ZJAAOHVGWRCQKD-RBUKOAKNSA-N 1 2 362.495 2.326 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1C[C@@H](NC(=O)OC(C)(C)C)C[C@H]1C ZINC000879221800 686773597 /nfs/dbraw/zinc/77/35/97/686773597.db2.gz LLBMZFSLHSFJAQ-GLJUWKHASA-N 1 2 352.479 2.028 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1C[C@@H](NC(=O)OC(C)(C)C)C[C@H]1C ZINC000879221800 686773601 /nfs/dbraw/zinc/77/36/01/686773601.db2.gz LLBMZFSLHSFJAQ-GLJUWKHASA-N 1 2 352.479 2.028 20 30 FEEDLO C#CC[NH+]1CCC(Nc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])CC1 ZINC000895808217 689773904 /nfs/dbraw/zinc/77/39/04/689773904.db2.gz CYCKMPQOVLXKGH-UHFFFAOYSA-N 1 2 373.381 2.101 20 30 FEEDLO C=CCN1CCN(C[N@H+]2CC[C@@H](c3nccc(C(F)(F)F)n3)C2)C1=O ZINC000902617568 690787089 /nfs/dbraw/zinc/78/70/89/690787089.db2.gz AASSVACSGLZSNI-GFCCVEGCSA-N 1 2 355.364 2.166 20 30 FEEDLO C=CCN1CCN(C[N@@H+]2CC[C@@H](c3nccc(C(F)(F)F)n3)C2)C1=O ZINC000902617568 690787091 /nfs/dbraw/zinc/78/70/91/690787091.db2.gz AASSVACSGLZSNI-GFCCVEGCSA-N 1 2 355.364 2.166 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H]2c3ccccc3CC[C@@H]2F)nc1 ZINC000905452625 691120699 /nfs/dbraw/zinc/12/06/99/691120699.db2.gz MGFCGDPQRGLCFO-WMZOPIPTSA-N 1 2 359.426 2.342 20 30 FEEDLO N#Cc1ccc(C(F)(F)N2CC[NH+](C[C@@H]3CCCO3)CC2)nc1Cl ZINC001165039434 721901588 /nfs/dbraw/zinc/90/15/88/721901588.db2.gz XBSRNLLKZQTVRP-ZDUSSCGKSA-N 1 2 356.804 2.453 20 30 FEEDLO Cc1[nH+]c2ccccc2n1CCNS(=O)(=O)Cc1ccc(C#N)cc1 ZINC000012629491 539569179 /nfs/dbraw/zinc/56/91/79/539569179.db2.gz KFPBPBNNZLNNDF-UHFFFAOYSA-N 1 2 354.435 2.336 20 30 FEEDLO COC(=O)C1CC[NH+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)CC1 ZINC000026473700 539787704 /nfs/dbraw/zinc/78/77/04/539787704.db2.gz HANADWWPQPLCPY-UHFFFAOYSA-N 1 2 357.454 2.435 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCC(NC(=O)c2ccc(F)cc2)CC1 ZINC000027438053 539807165 /nfs/dbraw/zinc/80/71/65/539807165.db2.gz XLRRZGWONAFDPE-FQEVSTJZSA-N 1 2 374.460 2.074 20 30 FEEDLO C[C@H]1Cc2ccccc2N1C(=O)C[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000029443949 539853325 /nfs/dbraw/zinc/85/33/25/539853325.db2.gz PEXGUSDPXLHJMX-INIZCTEOSA-N 1 2 361.449 2.053 20 30 FEEDLO C[C@@H](NC(=O)[C@H](C)[NH+]1CCN(c2cc(C#N)ccn2)CC1)c1ccccc1 ZINC000029445357 539853841 /nfs/dbraw/zinc/85/38/41/539853841.db2.gz BEMQZBJSIXNPMZ-SJORKVTESA-N 1 2 363.465 2.341 20 30 FEEDLO CCCOc1cc(OC)ccc1C(=O)N=c1[nH][nH]c(CCC[NH2+]C)c1C#N ZINC000530405960 539962976 /nfs/dbraw/zinc/96/29/76/539962976.db2.gz NXASNRKKAMLHLI-UHFFFAOYSA-N 1 2 371.441 2.483 20 30 FEEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+](C)CC(=O)NC(C)(C)C ZINC000042506379 540064834 /nfs/dbraw/zinc/06/48/34/540064834.db2.gz AGFNJKOVRCACQI-HNNXBMFYSA-N 1 2 374.485 2.177 20 30 FEEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+](C)CC(=O)NC(C)(C)C ZINC000042506379 540064836 /nfs/dbraw/zinc/06/48/36/540064836.db2.gz AGFNJKOVRCACQI-HNNXBMFYSA-N 1 2 374.485 2.177 20 30 FEEDLO CC[NH+](CC)[C@@H](CNS(=O)(=O)N(C)CCC#N)c1ccccc1Cl ZINC000045797952 540228612 /nfs/dbraw/zinc/22/86/12/540228612.db2.gz YGSGWGLNPOWNNI-INIZCTEOSA-N 1 2 372.922 2.403 20 30 FEEDLO CC(=O)Nc1cccc2c1CC[N@@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C2 ZINC000054389982 540587850 /nfs/dbraw/zinc/58/78/50/540587850.db2.gz IRECSMYBMBFSOU-VLIAUNLRSA-N 1 2 356.470 2.446 20 30 FEEDLO CC(=O)Nc1cccc2c1CC[N@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C2 ZINC000054389982 540587853 /nfs/dbraw/zinc/58/78/53/540587853.db2.gz IRECSMYBMBFSOU-VLIAUNLRSA-N 1 2 356.470 2.446 20 30 FEEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCN(c2ccc(O)cc2)CC1 ZINC000057406116 540794244 /nfs/dbraw/zinc/79/42/44/540794244.db2.gz LGAXPZKHOYHUIL-OAHLLOKOSA-N 1 2 350.422 2.413 20 30 FEEDLO N#CC1CCN(C(=O)c2ccc(S(=O)(=O)Nc3cc[nH+]cc3)cc2)CC1 ZINC000109527970 209308560 /nfs/dbraw/zinc/30/85/60/209308560.db2.gz SMGHKNIMKUVNDV-UHFFFAOYSA-N 1 2 370.434 2.258 20 30 FEEDLO C=CC[N@H+](CC(=O)N1CCN(C(=O)c2ccco2)CC1)Cc1cccs1 ZINC000060942710 541123566 /nfs/dbraw/zinc/12/35/66/541123566.db2.gz ONQADHSAEVUMHL-UHFFFAOYSA-N 1 2 373.478 2.314 20 30 FEEDLO C=CC[N@@H+](CC(=O)N1CCN(C(=O)c2ccco2)CC1)Cc1cccs1 ZINC000060942710 541123567 /nfs/dbraw/zinc/12/35/67/541123567.db2.gz ONQADHSAEVUMHL-UHFFFAOYSA-N 1 2 373.478 2.314 20 30 FEEDLO COc1ccc(C)cc1NC(=O)CO[NH+]=C(N)c1ccc(OC)c(OC)c1 ZINC000060552626 541117145 /nfs/dbraw/zinc/11/71/45/541117145.db2.gz ZOSNKVXFSZZUPE-UHFFFAOYSA-N 1 2 373.409 2.296 20 30 FEEDLO CSc1[nH]c(=O)c(C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1C#N ZINC000063758759 541183457 /nfs/dbraw/zinc/18/34/57/541183457.db2.gz OKUJLANQOUNMKI-BETUJISGSA-N 1 2 362.499 2.479 20 30 FEEDLO CSc1[nH]c(=O)c(C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1C#N ZINC000063758759 541183460 /nfs/dbraw/zinc/18/34/60/541183460.db2.gz OKUJLANQOUNMKI-BETUJISGSA-N 1 2 362.499 2.479 20 30 FEEDLO COCC[N@H+](CC(=O)NC(=O)Nc1ccccc1)Cc1ccc(C#N)cc1 ZINC000063754142 541184039 /nfs/dbraw/zinc/18/40/39/541184039.db2.gz ZIGWWPQHPWSWPO-UHFFFAOYSA-N 1 2 366.421 2.355 20 30 FEEDLO COCC[N@@H+](CC(=O)NC(=O)Nc1ccccc1)Cc1ccc(C#N)cc1 ZINC000063754142 541184040 /nfs/dbraw/zinc/18/40/40/541184040.db2.gz ZIGWWPQHPWSWPO-UHFFFAOYSA-N 1 2 366.421 2.355 20 30 FEEDLO Cn1cc[nH+]c1[C@@H](NS(=O)(=O)CCCCC#N)c1cccc(F)c1 ZINC000068874817 541635815 /nfs/dbraw/zinc/63/58/15/541635815.db2.gz JKJCFBOJMOHQFD-HNNXBMFYSA-N 1 2 350.419 2.262 20 30 FEEDLO C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CCN(c2ccccc2O)CC1 ZINC000069055937 541653256 /nfs/dbraw/zinc/65/32/56/541653256.db2.gz RPINNBPSIWCYIM-OAHLLOKOSA-N 1 2 350.422 2.413 20 30 FEEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CCN(Cc2ccon2)CC1 ZINC000072723197 541857804 /nfs/dbraw/zinc/85/78/04/541857804.db2.gz OHUJZCMVMBOGCX-MRXNPFEDSA-N 1 2 374.510 2.457 20 30 FEEDLO CNC(=O)c1cccc(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)c1 ZINC000072961757 541898388 /nfs/dbraw/zinc/89/83/88/541898388.db2.gz SKPRTZRNGMIECW-UHFFFAOYSA-N 1 2 352.413 2.379 20 30 FEEDLO N#Cc1ccc(NC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)cc1Cl ZINC000097577424 206809769 /nfs/dbraw/zinc/80/97/69/206809769.db2.gz OWOMKNSXANMEBG-UHFFFAOYSA-N 1 2 374.832 2.384 20 30 FEEDLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000076820961 542323695 /nfs/dbraw/zinc/32/36/95/542323695.db2.gz GLUUSEYVGJIXSV-YCDSQXFLSA-N 1 2 353.875 2.382 20 30 FEEDLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000076820961 542323697 /nfs/dbraw/zinc/32/36/97/542323697.db2.gz GLUUSEYVGJIXSV-YCDSQXFLSA-N 1 2 353.875 2.382 20 30 FEEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+](C)CC(=O)NC(C)(C)C ZINC000042506376 208292955 /nfs/dbraw/zinc/29/29/55/208292955.db2.gz AWELLHQQKKTTRB-CQSZACIVSA-N 1 2 362.449 2.307 20 30 FEEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+](C)CC(=O)NC(C)(C)C ZINC000042506376 208292960 /nfs/dbraw/zinc/29/29/60/208292960.db2.gz AWELLHQQKKTTRB-CQSZACIVSA-N 1 2 362.449 2.307 20 30 FEEDLO COc1ccc(C#N)cc1NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000078099620 542441100 /nfs/dbraw/zinc/44/11/00/542441100.db2.gz SEUTYIVKTNQDHW-IBGZPJMESA-N 1 2 351.406 2.406 20 30 FEEDLO COc1ccc(C#N)cc1NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000078099620 542441102 /nfs/dbraw/zinc/44/11/02/542441102.db2.gz SEUTYIVKTNQDHW-IBGZPJMESA-N 1 2 351.406 2.406 20 30 FEEDLO Cn1ccc2c1cccc2NC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000078543750 542467156 /nfs/dbraw/zinc/46/71/56/542467156.db2.gz UYWAWXBAAQJURO-UHFFFAOYSA-N 1 2 355.442 2.258 20 30 FEEDLO Cc1cccn2cc(CCNS(=O)(=O)c3ccc(F)c(C#N)c3)[nH+]c12 ZINC000080787223 542608642 /nfs/dbraw/zinc/60/86/42/542608642.db2.gz YGDOWADUNBYMOU-UHFFFAOYSA-N 1 2 358.398 2.175 20 30 FEEDLO Cn1cc(C#N)cc1C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000081708710 542672762 /nfs/dbraw/zinc/67/27/62/542672762.db2.gz DKXFJUJCSZCESQ-UHFFFAOYSA-N 1 2 358.199 2.237 20 30 FEEDLO C[C@H]1CCCCN1C(=O)C[NH+]1CCN(Cc2ccc(F)cc2C#N)CC1 ZINC000103139700 543093830 /nfs/dbraw/zinc/09/38/30/543093830.db2.gz MGDFMBPEBNFQRY-INIZCTEOSA-N 1 2 358.461 2.216 20 30 FEEDLO N#Cc1c(C[N@H+]2CCC[C@@H]2C(=O)N2CCSCC2)cn2ccccc12 ZINC000104090861 543122694 /nfs/dbraw/zinc/12/26/94/543122694.db2.gz RZBWHFDOPCJIAB-GOSISDBHSA-N 1 2 354.479 2.351 20 30 FEEDLO N#Cc1c(C[N@@H+]2CCC[C@@H]2C(=O)N2CCSCC2)cn2ccccc12 ZINC000104090861 543122697 /nfs/dbraw/zinc/12/26/97/543122697.db2.gz RZBWHFDOPCJIAB-GOSISDBHSA-N 1 2 354.479 2.351 20 30 FEEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000106582292 543239807 /nfs/dbraw/zinc/23/98/07/543239807.db2.gz HBRVKXFYJMMIPT-HNNXBMFYSA-N 1 2 359.474 2.103 20 30 FEEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000109035706 543311722 /nfs/dbraw/zinc/31/17/22/543311722.db2.gz HBJMCWFSFFGEES-CQSZACIVSA-N 1 2 372.494 2.326 20 30 FEEDLO CCc1cccc2c(CC(=O)N(CCC#N)CC[NH+]3CCOCC3)c[nH]c21 ZINC000109265377 543319230 /nfs/dbraw/zinc/31/92/30/543319230.db2.gz QARGEFQDLCTQNA-UHFFFAOYSA-N 1 2 368.481 2.347 20 30 FEEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@H](N2CCCC2=O)C1 ZINC000111292089 543392922 /nfs/dbraw/zinc/39/29/22/543392922.db2.gz DEOWVGLAXZWEBV-HNNXBMFYSA-N 1 2 360.845 2.237 20 30 FEEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@H](N2CCCC2=O)C1 ZINC000111292089 543392924 /nfs/dbraw/zinc/39/29/24/543392924.db2.gz DEOWVGLAXZWEBV-HNNXBMFYSA-N 1 2 360.845 2.237 20 30 FEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCCN(C(=O)c2cccs2)CC1 ZINC000112352294 543442789 /nfs/dbraw/zinc/44/27/89/543442789.db2.gz WCKZNGHMCBEUAQ-MRXNPFEDSA-N 1 2 361.511 2.485 20 30 FEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCCN(C(=O)c2cccs2)CC1 ZINC000112352294 543442791 /nfs/dbraw/zinc/44/27/91/543442791.db2.gz WCKZNGHMCBEUAQ-MRXNPFEDSA-N 1 2 361.511 2.485 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000112360154 543443612 /nfs/dbraw/zinc/44/36/12/543443612.db2.gz GSISNVRZVDNHST-ZTQAJYAQSA-N 1 2 374.460 2.306 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000112360154 543443614 /nfs/dbraw/zinc/44/36/14/543443614.db2.gz GSISNVRZVDNHST-ZTQAJYAQSA-N 1 2 374.460 2.306 20 30 FEEDLO N#C[C@H]1CN(C(=O)NCc2cn3ccccc3[nH+]2)CCN1Cc1ccccc1 ZINC000114583641 543524594 /nfs/dbraw/zinc/52/45/94/543524594.db2.gz VBXRNBMZRBPDMA-IBGZPJMESA-N 1 2 374.448 2.254 20 30 FEEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)[C@@H](C)C(=O)NCCc2cccs2)c1 ZINC000114715120 543530786 /nfs/dbraw/zinc/53/07/86/543530786.db2.gz KHAJQSUWMHKIGH-HNNXBMFYSA-N 1 2 369.490 2.347 20 30 FEEDLO C#Cc1cccc(NC(=O)C[N@H+](C)[C@@H](C)C(=O)NCCc2cccs2)c1 ZINC000114715120 543530789 /nfs/dbraw/zinc/53/07/89/543530789.db2.gz KHAJQSUWMHKIGH-HNNXBMFYSA-N 1 2 369.490 2.347 20 30 FEEDLO C=CCCC[N@@H+](C)CC(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000121098763 543689397 /nfs/dbraw/zinc/68/93/97/543689397.db2.gz FVIAWMSDSDXWBJ-HNNXBMFYSA-N 1 2 370.540 2.162 20 30 FEEDLO C=CCCC[N@H+](C)CC(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000121098763 543689399 /nfs/dbraw/zinc/68/93/99/543689399.db2.gz FVIAWMSDSDXWBJ-HNNXBMFYSA-N 1 2 370.540 2.162 20 30 FEEDLO C=CCOc1cccc(NC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)c1 ZINC000118811358 543659150 /nfs/dbraw/zinc/65/91/50/543659150.db2.gz HGDWMTIAAVVJKZ-UHFFFAOYSA-N 1 2 371.441 2.424 20 30 FEEDLO Cc1ccc(CNC(=O)[C@H](C)[NH+]2CCN(c3ncccc3C#N)CC2)cc1 ZINC000120003871 543674711 /nfs/dbraw/zinc/67/47/11/543674711.db2.gz ZGNNRSBAUANBQB-KRWDZBQOSA-N 1 2 363.465 2.089 20 30 FEEDLO C=CCOc1ccccc1C[NH+]1CCN(CC(=O)Nc2cc(C)on2)CC1 ZINC000123132542 543744503 /nfs/dbraw/zinc/74/45/03/543744503.db2.gz DFRSRFKJUGWWQT-UHFFFAOYSA-N 1 2 370.453 2.304 20 30 FEEDLO CCOC(=O)c1c[nH]n(C2CC[NH+](CC#Cc3ccc(F)cc3)CC2)c1=N ZINC000121897343 543700995 /nfs/dbraw/zinc/70/09/95/543700995.db2.gz KDKYKGPIKRNULU-UHFFFAOYSA-N 1 2 370.428 2.300 20 30 FEEDLO C=CCNC(=O)C[NH+]1CCN(Cc2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000122239685 543705243 /nfs/dbraw/zinc/70/52/43/543705243.db2.gz BXWBCWQPIXLUCE-UHFFFAOYSA-N 1 2 359.367 2.264 20 30 FEEDLO CCC1(CO)CC[NH+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC1 ZINC000128154195 544035646 /nfs/dbraw/zinc/03/56/46/544035646.db2.gz KQNMZJZWMJUUJH-UHFFFAOYSA-N 1 2 367.453 2.167 20 30 FEEDLO Cc1ccc2cccc(C(=O)N(CCC#N)CC[NH+]3CCOCC3)c2n1 ZINC000132350136 544228196 /nfs/dbraw/zinc/22/81/96/544228196.db2.gz IJEDZLYVEULHHV-UHFFFAOYSA-N 1 2 352.438 2.231 20 30 FEEDLO Cc1c(Cl)cccc1OCC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000134732588 544319774 /nfs/dbraw/zinc/31/97/74/544319774.db2.gz AHESEZFMLVQBLV-UHFFFAOYSA-N 1 2 365.861 2.102 20 30 FEEDLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(CC#Cc2ccccc2Cl)CC1 ZINC000135142194 544335818 /nfs/dbraw/zinc/33/58/18/544335818.db2.gz ASMKEHNEDPOBOL-QGZVFWFLSA-N 1 2 359.901 2.320 20 30 FEEDLO N#Cc1ccc(NCC(=O)NC[C@@H](c2cccs2)[NH+]2CCOCC2)cc1 ZINC000138188843 544394822 /nfs/dbraw/zinc/39/48/22/544394822.db2.gz YJMBPGQVWGUPCF-KRWDZBQOSA-N 1 2 370.478 2.221 20 30 FEEDLO C[C@@H]1OCC[N@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)[C@H]1C ZINC000139371377 544401974 /nfs/dbraw/zinc/40/19/74/544401974.db2.gz GPOIZODTFDNBBE-KBPBESRZSA-N 1 2 354.372 2.282 20 30 FEEDLO C[C@@H]1OCC[N@@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)[C@H]1C ZINC000139371377 544401976 /nfs/dbraw/zinc/40/19/76/544401976.db2.gz GPOIZODTFDNBBE-KBPBESRZSA-N 1 2 354.372 2.282 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)c(F)c1 ZINC000151075010 544503353 /nfs/dbraw/zinc/50/33/53/544503353.db2.gz HWHMWOLSCTUTAX-UHFFFAOYSA-N 1 2 370.409 2.421 20 30 FEEDLO CCN(CC)C(=O)C1CC[NH+](CC(=O)Nc2oc(C)c(C)c2C#N)CC1 ZINC000153615971 544798476 /nfs/dbraw/zinc/79/84/76/544798476.db2.gz FDQLBKXLXKTXDJ-UHFFFAOYSA-N 1 2 360.458 2.287 20 30 FEEDLO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1S(=O)(=O)c1ccc(C#N)o1 ZINC000553533456 674268494 /nfs/dbraw/zinc/26/84/94/674268494.db2.gz LONOUWAYFDGVTJ-HUUCEWRRSA-N 1 2 359.451 2.435 20 30 FEEDLO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1S(=O)(=O)c1ccc(C#N)o1 ZINC000553533456 674268496 /nfs/dbraw/zinc/26/84/96/674268496.db2.gz LONOUWAYFDGVTJ-HUUCEWRRSA-N 1 2 359.451 2.435 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[NH+]2CCC(O)(c3ccccc3)CC2)cc1 ZINC000185510838 327920200 /nfs/dbraw/zinc/92/02/00/327920200.db2.gz LNULBVHFQLHEQX-UHFFFAOYSA-N 1 2 370.474 2.316 20 30 FEEDLO COC(=O)C[N@H+](C1CCCC1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192623282 328328955 /nfs/dbraw/zinc/32/89/55/328328955.db2.gz UVVOMJNMMITCQC-SFHVURJKSA-N 1 2 355.438 2.471 20 30 FEEDLO COC(=O)C[N@@H+](C1CCCC1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192623282 328328956 /nfs/dbraw/zinc/32/89/56/328328956.db2.gz UVVOMJNMMITCQC-SFHVURJKSA-N 1 2 355.438 2.471 20 30 FEEDLO N#Cc1ccc(CCC(=O)NCc2cc[nH+]c(N3CCOCC3)c2)cc1 ZINC000025291084 324416635 /nfs/dbraw/zinc/41/66/35/324416635.db2.gz AAKPWTMMDBHAER-UHFFFAOYSA-N 1 2 350.422 2.039 20 30 FEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000083168703 325214215 /nfs/dbraw/zinc/21/42/15/325214215.db2.gz CCZFNEGLNBCYMP-ROUUACIJSA-N 1 2 355.438 2.011 20 30 FEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000083168703 325214219 /nfs/dbraw/zinc/21/42/19/325214219.db2.gz CCZFNEGLNBCYMP-ROUUACIJSA-N 1 2 355.438 2.011 20 30 FEEDLO CCCCNC(=O)C1CC[NH+]([C@H](C(=O)OC)c2cccc(C#N)c2)CC1 ZINC000083188257 325214891 /nfs/dbraw/zinc/21/48/91/325214891.db2.gz SWWOKNXOMUBUDW-SFHVURJKSA-N 1 2 357.454 2.401 20 30 FEEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1CCCSCC1 ZINC000089982635 325347666 /nfs/dbraw/zinc/34/76/66/325347666.db2.gz JTXOIBRHRPBDBV-UHFFFAOYSA-N 1 2 364.515 2.391 20 30 FEEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1CCCSCC1 ZINC000089982635 325347668 /nfs/dbraw/zinc/34/76/68/325347668.db2.gz JTXOIBRHRPBDBV-UHFFFAOYSA-N 1 2 364.515 2.391 20 30 FEEDLO Cc1cn2c([nH+]1)CC[C@H](NS(=O)(=O)c1cccc(Cl)c1C#N)C2 ZINC000090167932 325355591 /nfs/dbraw/zinc/35/55/91/325355591.db2.gz ZQJVFVSEBZQJGW-NSHDSACASA-N 1 2 350.831 2.010 20 30 FEEDLO CC1CCN(C(=O)C2CC[NH+]([C@H](C(N)=O)c3ccc(C#N)cc3)CC2)CC1 ZINC000115545233 325964188 /nfs/dbraw/zinc/96/41/88/325964188.db2.gz XWFZKLDLYPPFPX-IBGZPJMESA-N 1 2 368.481 2.055 20 30 FEEDLO CC(C)CO[C@@H]1CC[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 ZINC000119592333 326178916 /nfs/dbraw/zinc/17/89/16/326178916.db2.gz XLVDYXKDYOOOEE-GOSISDBHSA-N 1 2 367.453 2.429 20 30 FEEDLO CC(C)CO[C@@H]1CC[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 ZINC000119592333 326178919 /nfs/dbraw/zinc/17/89/19/326178919.db2.gz XLVDYXKDYOOOEE-GOSISDBHSA-N 1 2 367.453 2.429 20 30 FEEDLO CCC[N@H+](CC(=O)NC)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 ZINC000120149975 326234744 /nfs/dbraw/zinc/23/47/44/326234744.db2.gz CQCGXDLDPUGMOH-UHFFFAOYSA-N 1 2 373.501 2.488 20 30 FEEDLO CCC[N@@H+](CC(=O)NC)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 ZINC000120149975 326234745 /nfs/dbraw/zinc/23/47/45/326234745.db2.gz CQCGXDLDPUGMOH-UHFFFAOYSA-N 1 2 373.501 2.488 20 30 FEEDLO CC(C)[C@@H](CNC(=O)C(C)(C)Oc1ccc(C#N)cc1)[NH+]1CCOCC1 ZINC000161925481 327012662 /nfs/dbraw/zinc/01/26/62/327012662.db2.gz SHAOVQLUNCHZPT-GOSISDBHSA-N 1 2 359.470 2.189 20 30 FEEDLO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000170861445 327103243 /nfs/dbraw/zinc/10/32/43/327103243.db2.gz HYBLYJCALHALLY-GOSISDBHSA-N 1 2 359.470 2.189 20 30 FEEDLO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000170861445 327103245 /nfs/dbraw/zinc/10/32/45/327103245.db2.gz HYBLYJCALHALLY-GOSISDBHSA-N 1 2 359.470 2.189 20 30 FEEDLO CC1(C)C[N@H+](CCNC(=O)N(Cc2ccc(C#N)cc2)C2CC2)CCO1 ZINC000171325545 327132116 /nfs/dbraw/zinc/13/21/16/327132116.db2.gz AWDDHGPPFFZSJD-UHFFFAOYSA-N 1 2 356.470 2.343 20 30 FEEDLO CC1(C)C[N@@H+](CCNC(=O)N(Cc2ccc(C#N)cc2)C2CC2)CCO1 ZINC000171325545 327132117 /nfs/dbraw/zinc/13/21/17/327132117.db2.gz AWDDHGPPFFZSJD-UHFFFAOYSA-N 1 2 356.470 2.343 20 30 FEEDLO CC1(C)C[N@H+](CCNC(=O)Nc2cc(C#N)ccc2OC(F)F)CCO1 ZINC000171550055 327145448 /nfs/dbraw/zinc/14/54/48/327145448.db2.gz ZVMVWNAMNNPQAU-UHFFFAOYSA-N 1 2 368.384 2.392 20 30 FEEDLO CC1(C)C[N@@H+](CCNC(=O)Nc2cc(C#N)ccc2OC(F)F)CCO1 ZINC000171550055 327145450 /nfs/dbraw/zinc/14/54/50/327145450.db2.gz ZVMVWNAMNNPQAU-UHFFFAOYSA-N 1 2 368.384 2.392 20 30 FEEDLO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000171994908 327175072 /nfs/dbraw/zinc/17/50/72/327175072.db2.gz VLSKRCXGLLKCGX-MRXNPFEDSA-N 1 2 362.861 2.483 20 30 FEEDLO CCN(CC)C(=O)[C@H]1CCC[N@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000171994908 327175073 /nfs/dbraw/zinc/17/50/73/327175073.db2.gz VLSKRCXGLLKCGX-MRXNPFEDSA-N 1 2 362.861 2.483 20 30 FEEDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)COc2ccccc2C#N)CC1 ZINC000265134230 329094810 /nfs/dbraw/zinc/09/48/10/329094810.db2.gz AHBDXBUFQRSQMY-INIZCTEOSA-N 1 2 350.422 2.237 20 30 FEEDLO N#Cc1cc(NC(=O)C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)ccc1Cl ZINC000267439723 329327770 /nfs/dbraw/zinc/32/77/70/329327770.db2.gz VXLCMXYIWUTSLZ-NSHDSACASA-N 1 2 357.801 2.279 20 30 FEEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](CNC(=O)C(C)C)C1 ZINC000267564077 329338553 /nfs/dbraw/zinc/33/85/53/329338553.db2.gz BLFAOBNSCUWGBF-SJLPKXTDSA-N 1 2 357.454 2.257 20 30 FEEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](CNC(=O)C(C)C)C1 ZINC000267564077 329338554 /nfs/dbraw/zinc/33/85/54/329338554.db2.gz BLFAOBNSCUWGBF-SJLPKXTDSA-N 1 2 357.454 2.257 20 30 FEEDLO CC(C)C[C@@H](CCO)CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000268035039 329379028 /nfs/dbraw/zinc/37/90/28/329379028.db2.gz WDJXVUJHEDZSKB-HXUWFJFHSA-N 1 2 372.513 2.430 20 30 FEEDLO N#Cc1ccc(C(=O)N2CC[C@@H](Oc3ccc[nH+]c3N3CCCC3)C2)[nH]1 ZINC000275533527 330060654 /nfs/dbraw/zinc/06/06/54/330060654.db2.gz GCBYGDRTTPALOR-OAHLLOKOSA-N 1 2 351.410 2.175 20 30 FEEDLO CC(C)(C)OC(=O)N[C@@H]1CCC[N@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000276220093 330130201 /nfs/dbraw/zinc/13/02/01/330130201.db2.gz ISCPDTGOXRDVBW-QGZVFWFLSA-N 1 2 372.469 2.164 20 30 FEEDLO CC(C)(C)OC(=O)N[C@@H]1CCC[N@@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000276220093 330130203 /nfs/dbraw/zinc/13/02/03/330130203.db2.gz ISCPDTGOXRDVBW-QGZVFWFLSA-N 1 2 372.469 2.164 20 30 FEEDLO N#Cc1ccc(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)nc1Cl ZINC000291385122 330188535 /nfs/dbraw/zinc/18/85/35/330188535.db2.gz BXMVMEFCQWYLMB-MRXNPFEDSA-N 1 2 370.840 2.237 20 30 FEEDLO N#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)nc1Cl ZINC000291385122 330188537 /nfs/dbraw/zinc/18/85/37/330188537.db2.gz BXMVMEFCQWYLMB-MRXNPFEDSA-N 1 2 370.840 2.237 20 30 FEEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)Cc1ccc(OCC#N)cc1 ZINC000155550596 545541724 /nfs/dbraw/zinc/54/17/24/545541724.db2.gz LZVMTRLSPJQMRO-UHFFFAOYSA-N 1 2 366.421 2.310 20 30 FEEDLO C[C@H](NC(=O)c1ccc(COc2ccc(C#N)cc2)o1)[C@H]1C[N@H+](C)CCO1 ZINC000156804075 545664107 /nfs/dbraw/zinc/66/41/07/545664107.db2.gz CRVMGLNKHCMKRR-IFXJQAMLSA-N 1 2 369.421 2.179 20 30 FEEDLO C[C@H](NC(=O)c1ccc(COc2ccc(C#N)cc2)o1)[C@H]1C[N@@H+](C)CCO1 ZINC000156804075 545664111 /nfs/dbraw/zinc/66/41/11/545664111.db2.gz CRVMGLNKHCMKRR-IFXJQAMLSA-N 1 2 369.421 2.179 20 30 FEEDLO CN1CC[N@H+](C)[C@H](CNC(=O)Nc2cccc(C#Cc3ccccc3)c2)C1 ZINC000477656977 561150524 /nfs/dbraw/zinc/15/05/24/561150524.db2.gz BXNSRKYNANPRTE-OAQYLSRUSA-N 1 2 362.477 2.454 20 30 FEEDLO CN1CC[N@@H+](C)[C@H](CNC(=O)Nc2cccc(C#Cc3ccccc3)c2)C1 ZINC000477656977 561150525 /nfs/dbraw/zinc/15/05/25/561150525.db2.gz BXNSRKYNANPRTE-OAQYLSRUSA-N 1 2 362.477 2.454 20 30 FEEDLO CC[N@H+](Cc1ccc(OC)c(OCCCC#N)c1)[C@H]1CCS(=O)(=O)C1 ZINC000160579635 546053362 /nfs/dbraw/zinc/05/33/62/546053362.db2.gz ITEDYWPCWUVEPJ-INIZCTEOSA-N 1 2 366.483 2.387 20 30 FEEDLO CC[N@@H+](Cc1ccc(OC)c(OCCCC#N)c1)[C@H]1CCS(=O)(=O)C1 ZINC000160579635 546053366 /nfs/dbraw/zinc/05/33/66/546053366.db2.gz ITEDYWPCWUVEPJ-INIZCTEOSA-N 1 2 366.483 2.387 20 30 FEEDLO C=C[C@H](CC(=O)N1CC[C@@H](OCC[NH+]2CCOCC2)C1)c1ccccc1 ZINC000478872662 561176614 /nfs/dbraw/zinc/17/66/14/561176614.db2.gz KPFYBISZFUPJDO-UYAOXDASSA-N 1 2 358.482 2.296 20 30 FEEDLO Cc1cccc2c(CCC(=O)N(CCC#N)CC[NH+]3CCOCC3)c[nH]c21 ZINC000162596448 546139855 /nfs/dbraw/zinc/13/98/55/546139855.db2.gz JHRXPIVDKKOKMF-UHFFFAOYSA-N 1 2 368.481 2.483 20 30 FEEDLO N#CCCN(Cc1cccnc1)C(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000163727090 546146809 /nfs/dbraw/zinc/14/68/09/546146809.db2.gz XFAJAKRKQLSGLP-UHFFFAOYSA-N 1 2 374.404 2.148 20 30 FEEDLO C[C@H](c1cccc(F)c1)[NH+]1CCN(S(=O)(=O)CC2(C#N)CC2)CC1 ZINC000166273544 546155896 /nfs/dbraw/zinc/15/58/96/546155896.db2.gz WYYRGTKHFGKGOZ-CQSZACIVSA-N 1 2 351.447 2.138 20 30 FEEDLO C=CCN(C(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000171457395 546210005 /nfs/dbraw/zinc/21/00/05/546210005.db2.gz KGVKWWSRNZNKNJ-KRZKXXONSA-N 1 2 371.462 2.087 20 30 FEEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](OCCO)C1 ZINC000172294665 546244867 /nfs/dbraw/zinc/24/48/67/546244867.db2.gz NXYVKBVHISDDHI-OAHLLOKOSA-N 1 2 350.484 2.377 20 30 FEEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](OCCO)C1 ZINC000172294665 546244868 /nfs/dbraw/zinc/24/48/68/546244868.db2.gz NXYVKBVHISDDHI-OAHLLOKOSA-N 1 2 350.484 2.377 20 30 FEEDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)Nc2ccn(CCC#N)n2)CC1 ZINC000173364525 546279851 /nfs/dbraw/zinc/27/98/51/546279851.db2.gz GWSXCKXASNRPLV-HNNXBMFYSA-N 1 2 353.430 2.102 20 30 FEEDLO N#Cc1ccc(Cl)c(NC(=O)C(=O)NCCc2cn3ccccc3[nH+]2)c1 ZINC000176550677 546460388 /nfs/dbraw/zinc/46/03/88/546460388.db2.gz FAPKRSJQFMQWIW-UHFFFAOYSA-N 1 2 367.796 2.157 20 30 FEEDLO COc1c(C)ccc(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)c1C ZINC000176852547 546496470 /nfs/dbraw/zinc/49/64/70/546496470.db2.gz LIZDWGACVMSHAY-UHFFFAOYSA-N 1 2 360.458 2.392 20 30 FEEDLO COCCC[N@H+](CC#Cc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000177153644 546557636 /nfs/dbraw/zinc/55/76/36/546557636.db2.gz PXZGRWJOHKIAQS-QGZVFWFLSA-N 1 2 355.887 2.217 20 30 FEEDLO COCCC[N@@H+](CC#Cc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000177153644 546557639 /nfs/dbraw/zinc/55/76/39/546557639.db2.gz PXZGRWJOHKIAQS-QGZVFWFLSA-N 1 2 355.887 2.217 20 30 FEEDLO CNC(=O)Cc1nc(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)cs1 ZINC000177598470 546650310 /nfs/dbraw/zinc/65/03/10/546650310.db2.gz NKNUMUCQRAMKSZ-UHFFFAOYSA-N 1 2 370.478 2.347 20 30 FEEDLO CC(=O)NC(C)(C)C(=[NH2+])NOC=C(O)c1cc(C)n(Cc2ccco2)c1C ZINC000177758715 546680350 /nfs/dbraw/zinc/68/03/50/546680350.db2.gz YLMGHIZHZGSLPP-UHFFFAOYSA-N 1 2 374.441 2.132 20 30 FEEDLO CC[C@@H](C)NC(=O)[C@H](C)O[NH+]=C(N)c1cccc(Cn2nc(C)cc2C)c1 ZINC000178156368 546747758 /nfs/dbraw/zinc/74/77/58/546747758.db2.gz LUJQOCRCFZNTQZ-CJNGLKHVSA-N 1 2 371.485 2.488 20 30 FEEDLO C[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)C[C@H]1COc2ccccc2O1 ZINC000179118395 546900987 /nfs/dbraw/zinc/90/09/87/546900987.db2.gz IDXFQORLOBJUKE-INIZCTEOSA-N 1 2 372.446 2.104 20 30 FEEDLO C[N@@H+](CCS(=O)(=O)c1cccc(C#N)c1)C[C@H]1COc2ccccc2O1 ZINC000179118395 546900989 /nfs/dbraw/zinc/90/09/89/546900989.db2.gz IDXFQORLOBJUKE-INIZCTEOSA-N 1 2 372.446 2.104 20 30 FEEDLO Cc1c(C(=O)N(CCC#N)CC[NH+]2CCOCC2)cnc2ccccc12 ZINC000482049094 561247754 /nfs/dbraw/zinc/24/77/54/561247754.db2.gz OZEIUUBGDBBPAD-UHFFFAOYSA-N 1 2 352.438 2.231 20 30 FEEDLO N#Cc1cccc(S(=O)(=O)NCc2[nH+]ccn2CCc2ccccc2)c1 ZINC000181723387 547367216 /nfs/dbraw/zinc/36/72/16/547367216.db2.gz XGPVSNXHFNLCKA-UHFFFAOYSA-N 1 2 366.446 2.476 20 30 FEEDLO CCC(CC)C[N@H+](CCC#N)CC(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000484922734 561308792 /nfs/dbraw/zinc/30/87/92/561308792.db2.gz CPNKPZINVIBBNG-UHFFFAOYSA-N 1 2 374.485 2.216 20 30 FEEDLO CCC(CC)C[N@@H+](CCC#N)CC(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000484922734 561308793 /nfs/dbraw/zinc/30/87/93/561308793.db2.gz CPNKPZINVIBBNG-UHFFFAOYSA-N 1 2 374.485 2.216 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000184600891 547852402 /nfs/dbraw/zinc/85/24/02/547852402.db2.gz USQQUNPKQDIHAT-OALUTQOASA-N 1 2 357.433 2.293 20 30 FEEDLO Cc1cc(F)ccc1[C@H]1C(=O)NCC[N@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000184730611 547871846 /nfs/dbraw/zinc/87/18/46/547871846.db2.gz UNCNFDIAVYWZTM-OALUTQOASA-N 1 2 353.397 2.212 20 30 FEEDLO Cc1cc(F)ccc1[C@H]1C(=O)NCC[N@@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000184730611 547871848 /nfs/dbraw/zinc/87/18/48/547871848.db2.gz UNCNFDIAVYWZTM-OALUTQOASA-N 1 2 353.397 2.212 20 30 FEEDLO CCc1ccc([C@@H](COC)[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)o1 ZINC000184817764 547882373 /nfs/dbraw/zinc/88/23/73/547882373.db2.gz WRRJBAYHNVQRHN-QGZVFWFLSA-N 1 2 362.451 2.465 20 30 FEEDLO C=C(C)C[C@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1 ZINC000185055516 547924272 /nfs/dbraw/zinc/92/42/72/547924272.db2.gz KJFGMKJNNHTBIQ-HNNXBMFYSA-N 1 2 365.499 2.164 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CCO[C@]3(CCOC3)C2)c1 ZINC000185194294 547949631 /nfs/dbraw/zinc/94/96/31/547949631.db2.gz YYWYUXAUVYONJW-WIYYLYMNSA-N 1 2 371.481 2.430 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CCO[C@]3(CCOC3)C2)c1 ZINC000185194294 547949632 /nfs/dbraw/zinc/94/96/32/547949632.db2.gz YYWYUXAUVYONJW-WIYYLYMNSA-N 1 2 371.481 2.430 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccn(-c2ccccc2F)n1 ZINC000189067375 548294374 /nfs/dbraw/zinc/29/43/74/548294374.db2.gz VSPBOHYYPBMOCN-UHFFFAOYSA-N 1 2 357.433 2.059 20 30 FEEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](COC)C1 ZINC000189401537 548301862 /nfs/dbraw/zinc/30/18/62/548301862.db2.gz QFTXCSHFCSTJLV-OWCLPIDISA-N 1 2 352.500 2.387 20 30 FEEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](COC)C1 ZINC000189401537 548301868 /nfs/dbraw/zinc/30/18/68/548301868.db2.gz QFTXCSHFCSTJLV-OWCLPIDISA-N 1 2 352.500 2.387 20 30 FEEDLO COC[C@@H]1C[N@H+](CC(=O)N(CCC#N)c2ccc(C)c(C)c2)C[C@H](C)O1 ZINC000189434403 548302229 /nfs/dbraw/zinc/30/22/29/548302229.db2.gz DXBRTDGAQHNYHY-HKUYNNGSSA-N 1 2 359.470 2.286 20 30 FEEDLO COC[C@@H]1C[N@@H+](CC(=O)N(CCC#N)c2ccc(C)c(C)c2)C[C@H](C)O1 ZINC000189434403 548302232 /nfs/dbraw/zinc/30/22/32/548302232.db2.gz DXBRTDGAQHNYHY-HKUYNNGSSA-N 1 2 359.470 2.286 20 30 FEEDLO C=C(C)CS(=O)(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000189784537 548310464 /nfs/dbraw/zinc/31/04/64/548310464.db2.gz CIRWXIKINSPHRZ-CVEARBPZSA-N 1 2 358.891 2.207 20 30 FEEDLO C=C(C)CS(=O)(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000189784537 548310468 /nfs/dbraw/zinc/31/04/68/548310468.db2.gz CIRWXIKINSPHRZ-CVEARBPZSA-N 1 2 358.891 2.207 20 30 FEEDLO COc1cc2c(cc1OC)C[N@H+](CCNC(=O)c1ccc(C#N)s1)CC2 ZINC000487034572 561361885 /nfs/dbraw/zinc/36/18/85/561361885.db2.gz DVGKNFWEAXLZFR-UHFFFAOYSA-N 1 2 371.462 2.425 20 30 FEEDLO COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)c1ccc(C#N)s1)CC2 ZINC000487034572 561361886 /nfs/dbraw/zinc/36/18/86/561361886.db2.gz DVGKNFWEAXLZFR-UHFFFAOYSA-N 1 2 371.462 2.425 20 30 FEEDLO CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000487358446 561368342 /nfs/dbraw/zinc/36/83/42/561368342.db2.gz SOYTZRZZLBKCGA-MSOLQXFVSA-N 1 2 353.426 2.008 20 30 FEEDLO CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000487358446 561368343 /nfs/dbraw/zinc/36/83/43/561368343.db2.gz SOYTZRZZLBKCGA-MSOLQXFVSA-N 1 2 353.426 2.008 20 30 FEEDLO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]2c2nncn2C)c(OC)c1 ZINC000245563727 548948206 /nfs/dbraw/zinc/94/82/06/548948206.db2.gz CZWZGUCALZYPSS-IAGOWNOFSA-N 1 2 372.469 2.129 20 30 FEEDLO C=CCc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H]2c2nncn2C)c(OC)c1 ZINC000245563727 548948211 /nfs/dbraw/zinc/94/82/11/548948211.db2.gz CZWZGUCALZYPSS-IAGOWNOFSA-N 1 2 372.469 2.129 20 30 FEEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000246305979 549101290 /nfs/dbraw/zinc/10/12/90/549101290.db2.gz CCZFNEGLNBCYMP-QZTJIDSGSA-N 1 2 355.438 2.011 20 30 FEEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000246305979 549101291 /nfs/dbraw/zinc/10/12/91/549101291.db2.gz CCZFNEGLNBCYMP-QZTJIDSGSA-N 1 2 355.438 2.011 20 30 FEEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+](C)C[C@H](O)COCc1ccccc1 ZINC000246512621 549150125 /nfs/dbraw/zinc/15/01/25/549150125.db2.gz QVHITMTULJVLNH-VQTJNVASSA-N 1 2 368.433 2.282 20 30 FEEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+](C)C[C@H](O)COCc1ccccc1 ZINC000246512621 549150128 /nfs/dbraw/zinc/15/01/28/549150128.db2.gz QVHITMTULJVLNH-VQTJNVASSA-N 1 2 368.433 2.282 20 30 FEEDLO CCCC(=O)NC[C@@H]1CCC[N@@H+]([C@@H](C(=O)OC)c2cccc(C#N)c2)C1 ZINC000246523046 549152225 /nfs/dbraw/zinc/15/22/25/549152225.db2.gz RIWZHJZLYAZTQL-QFBILLFUSA-N 1 2 357.454 2.401 20 30 FEEDLO CCCC(=O)NC[C@@H]1CCC[N@H+]([C@@H](C(=O)OC)c2cccc(C#N)c2)C1 ZINC000246523046 549152229 /nfs/dbraw/zinc/15/22/29/549152229.db2.gz RIWZHJZLYAZTQL-QFBILLFUSA-N 1 2 357.454 2.401 20 30 FEEDLO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N([C@@H]2[C@H]3CCO[C@H]3C2(C)C)CC1=O ZINC000246737968 549200411 /nfs/dbraw/zinc/20/04/11/549200411.db2.gz FDXLWGDKQMMADO-NXOUGTEYSA-N 1 2 366.465 2.460 20 30 FEEDLO COc1cccc([C@@H]2C[N@H+](C[C@@H](O)COc3ccc(C#N)cc3)CCO2)c1 ZINC000247269536 549309871 /nfs/dbraw/zinc/30/98/71/549309871.db2.gz ZWFHJMSCFREDNZ-NQIIRXRSSA-N 1 2 368.433 2.380 20 30 FEEDLO COc1cccc([C@@H]2C[N@@H+](C[C@@H](O)COc3ccc(C#N)cc3)CCO2)c1 ZINC000247269536 549309874 /nfs/dbraw/zinc/30/98/74/549309874.db2.gz ZWFHJMSCFREDNZ-NQIIRXRSSA-N 1 2 368.433 2.380 20 30 FEEDLO COc1cc(C#N)ccc1S(=O)(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000248646339 549476477 /nfs/dbraw/zinc/47/64/77/549476477.db2.gz PDYXQVHXLSJXBM-QGZVFWFLSA-N 1 2 371.462 2.244 20 30 FEEDLO COc1cc(C#N)ccc1S(=O)(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000248646339 549476478 /nfs/dbraw/zinc/47/64/78/549476478.db2.gz PDYXQVHXLSJXBM-QGZVFWFLSA-N 1 2 371.462 2.244 20 30 FEEDLO COC(=O)[C@H](C)[N@H+](C1CCC1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000248729016 549491989 /nfs/dbraw/zinc/49/19/89/549491989.db2.gz IUIZMCSSUYDEQX-KSSFIOAISA-N 1 2 355.438 2.470 20 30 FEEDLO COC(=O)[C@H](C)[N@@H+](C1CCC1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000248729016 549491992 /nfs/dbraw/zinc/49/19/92/549491992.db2.gz IUIZMCSSUYDEQX-KSSFIOAISA-N 1 2 355.438 2.470 20 30 FEEDLO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000250348344 549641253 /nfs/dbraw/zinc/64/12/53/549641253.db2.gz RPPZRSBJYILLDS-BBWFWOEESA-N 1 2 361.486 2.477 20 30 FEEDLO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000250348344 549641258 /nfs/dbraw/zinc/64/12/58/549641258.db2.gz RPPZRSBJYILLDS-BBWFWOEESA-N 1 2 361.486 2.477 20 30 FEEDLO C[C@@H](C(=O)NCCC1=CCCCC1)[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000253371351 549684749 /nfs/dbraw/zinc/68/47/49/549684749.db2.gz AYTBWGKJPJAMMG-KRWDZBQOSA-N 1 2 367.497 2.470 20 30 FEEDLO COc1ccccc1[C@@H](C)CC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000264224782 549993241 /nfs/dbraw/zinc/99/32/41/549993241.db2.gz WTBPXASBQSDMDD-KRWDZBQOSA-N 1 2 359.470 2.263 20 30 FEEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000264631694 549998901 /nfs/dbraw/zinc/99/89/01/549998901.db2.gz VJXZMIBLTCYWMS-KBPBESRZSA-N 1 2 371.466 2.421 20 30 FEEDLO C[C@@H](CNC(=O)CCC(=O)N(CCC#N)c1ccccc1)Cn1cc[nH+]c1 ZINC000265797274 550013956 /nfs/dbraw/zinc/01/39/56/550013956.db2.gz JTNXDGJTUSOIFS-KRWDZBQOSA-N 1 2 367.453 2.362 20 30 FEEDLO COc1ccc(CN(C)C(=O)CO[NH+]=C(N)[C@@H](C)OCC(C)C)cc1 ZINC000266997260 550026842 /nfs/dbraw/zinc/02/68/42/550026842.db2.gz FBSUQWVYRCNXGG-CQSZACIVSA-N 1 2 351.447 2.004 20 30 FEEDLO COc1ccc(N2CC[NH+](CCNC(=O)c3cc(C#N)cs3)CC2)cc1 ZINC000267775834 550034858 /nfs/dbraw/zinc/03/48/58/550034858.db2.gz UREMGPGWITZAGC-UHFFFAOYSA-N 1 2 370.478 2.180 20 30 FEEDLO CN(C(=O)CNC(=O)c1ccc(C#N)cc1)[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000492464448 561451501 /nfs/dbraw/zinc/45/15/01/561451501.db2.gz KYOGBZYAMJCMSS-IBGZPJMESA-N 1 2 373.416 2.259 20 30 FEEDLO COc1ccc([C@H](CNc2ccc(C#N)nc2)[NH+]2CCOCC2)cc1OC ZINC000269379453 550188179 /nfs/dbraw/zinc/18/81/79/550188179.db2.gz RNJCAMFRCITRHS-SFHVURJKSA-N 1 2 368.437 2.456 20 30 FEEDLO C#CC[C@@H](NC(=O)NCc1ccc[nH+]c1N1CCOCC1)c1ccccc1 ZINC000270509294 550278576 /nfs/dbraw/zinc/27/85/76/550278576.db2.gz ZZVLVPIACLGKJM-LJQANCHMSA-N 1 2 364.449 2.482 20 30 FEEDLO COc1cc(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)cc2c1OCCO2 ZINC000271029754 550333177 /nfs/dbraw/zinc/33/31/77/550333177.db2.gz GBPJPFFZHSVHLZ-UHFFFAOYSA-N 1 2 366.421 2.055 20 30 FEEDLO Cc1ccn2ncc(C(=O)N3CC[NH+](Cc4ccc(C#N)cc4)CC3)c2c1 ZINC000271142601 550344458 /nfs/dbraw/zinc/34/44/58/550344458.db2.gz VRWCNGZMYQXZCM-UHFFFAOYSA-N 1 2 359.433 2.472 20 30 FEEDLO C[C@H](C(=O)c1c[nH]c2ncccc12)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000271206646 550352910 /nfs/dbraw/zinc/35/29/10/550352910.db2.gz GJUOAGFNJVTFCP-CQSZACIVSA-N 1 2 360.421 2.223 20 30 FEEDLO CC(C)(C)[C@H]1CC[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C[C@H]1O ZINC000272306336 550436812 /nfs/dbraw/zinc/43/68/12/550436812.db2.gz IADWTMWBTNJHAA-DLBZAZTESA-N 1 2 350.484 2.061 20 30 FEEDLO CC(C)(C)[C@H]1CC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C[C@H]1O ZINC000272306336 550436814 /nfs/dbraw/zinc/43/68/14/550436814.db2.gz IADWTMWBTNJHAA-DLBZAZTESA-N 1 2 350.484 2.061 20 30 FEEDLO C=CCS(=O)(=O)CCNC(=O)NC[C@H](c1ccsc1)[NH+](CC)CC ZINC000272811350 550472114 /nfs/dbraw/zinc/47/21/14/550472114.db2.gz HAPUPJAAQWCCPG-OAHLLOKOSA-N 1 2 373.544 2.031 20 30 FEEDLO C#CC[N@@H+](CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1)C1CC1 ZINC000274138622 550524748 /nfs/dbraw/zinc/52/47/48/550524748.db2.gz JMKLLGSDJDAETQ-UHFFFAOYSA-N 1 2 363.343 2.322 20 30 FEEDLO C#CC[N@H+](CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1)C1CC1 ZINC000274138622 550524749 /nfs/dbraw/zinc/52/47/49/550524749.db2.gz JMKLLGSDJDAETQ-UHFFFAOYSA-N 1 2 363.343 2.322 20 30 FEEDLO C#CCOc1ccccc1CNC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000274565416 550544172 /nfs/dbraw/zinc/54/41/72/550544172.db2.gz DGBMUIBTXUBLDV-UHFFFAOYSA-N 1 2 364.449 2.121 20 30 FEEDLO C=C(C)[C@H](NC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C)c1ccc(F)c(F)c1 ZINC000274712169 550550389 /nfs/dbraw/zinc/55/03/89/550550389.db2.gz AVDPAPVUSAPBSY-PBHICJAKSA-N 1 2 352.429 2.127 20 30 FEEDLO C=C(C)[C@H](NC(=O)NC[C@@H]1CN(C)CC[N@H+]1C)c1ccc(F)c(F)c1 ZINC000274712169 550550391 /nfs/dbraw/zinc/55/03/91/550550391.db2.gz AVDPAPVUSAPBSY-PBHICJAKSA-N 1 2 352.429 2.127 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCC(Oc2cncc(Cl)n2)CC1 ZINC000275043348 550570409 /nfs/dbraw/zinc/57/04/09/550570409.db2.gz HZQUHXLYISWHGR-KRWDZBQOSA-N 1 2 365.865 2.028 20 30 FEEDLO CCOC(=O)c1c(C)oc2nc(C[NH+]3CCC(C)(C#N)CC3)nc(N)c21 ZINC000275449148 550572136 /nfs/dbraw/zinc/57/21/36/550572136.db2.gz KYNMMHXJOMVQRT-UHFFFAOYSA-N 1 2 357.414 2.416 20 30 FEEDLO C#CCCN1CC[NH+]([C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)CC1 ZINC000276305577 550577851 /nfs/dbraw/zinc/57/78/51/550577851.db2.gz XTCZWVQRDRMSHC-LJQANCHMSA-N 1 2 361.436 2.097 20 30 FEEDLO Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@H](c1[nH]cc[nH+]1)C(C)C ZINC000276694198 550585984 /nfs/dbraw/zinc/58/59/84/550585984.db2.gz XVACVPAPCNKRSS-KRWDZBQOSA-N 1 2 365.441 2.387 20 30 FEEDLO CCOC(=O)c1n[nH]c(C2CC[NH+](Cc3cc(F)ccc3C#N)CC2)n1 ZINC000277658940 550697856 /nfs/dbraw/zinc/69/78/56/550697856.db2.gz DPVBRCIRJJNZQP-UHFFFAOYSA-N 1 2 357.389 2.372 20 30 FEEDLO C[N@H+](CC(=O)NCc1cccc(C#N)c1)Cc1ccc([S@@](C)=O)cc1 ZINC000494960433 561479909 /nfs/dbraw/zinc/47/99/09/561479909.db2.gz RVNRITNDWUHCOI-RUZDIDTESA-N 1 2 355.463 2.044 20 30 FEEDLO C[N@@H+](CC(=O)NCc1cccc(C#N)c1)Cc1ccc([S@@](C)=O)cc1 ZINC000494960433 561479910 /nfs/dbraw/zinc/47/99/10/561479910.db2.gz RVNRITNDWUHCOI-RUZDIDTESA-N 1 2 355.463 2.044 20 30 FEEDLO CCc1[nH+]c2ccccc2n1CC(=O)N1CCN(c2ncccc2C#N)CC1 ZINC000278970818 550841548 /nfs/dbraw/zinc/84/15/48/550841548.db2.gz IKWSPMNPRKMAOV-UHFFFAOYSA-N 1 2 374.448 2.214 20 30 FEEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)CCCCOc1cccc(C#N)c1 ZINC000279045650 550850270 /nfs/dbraw/zinc/85/02/70/550850270.db2.gz BYWOQQMRBSLTQF-QGZVFWFLSA-N 1 2 359.470 2.286 20 30 FEEDLO C[C@@H](CN1CCOCC1)[N@H+](C)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000279756859 550925791 /nfs/dbraw/zinc/92/57/91/550925791.db2.gz QXOOMKKLHYVMLR-KRWDZBQOSA-N 1 2 368.481 2.390 20 30 FEEDLO C[C@@H](CN1CCOCC1)[N@@H+](C)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000279756859 550925792 /nfs/dbraw/zinc/92/57/92/550925792.db2.gz QXOOMKKLHYVMLR-KRWDZBQOSA-N 1 2 368.481 2.390 20 30 FEEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCO[C@]3(CCO[C@@H]3C)C2)c1C ZINC000280212179 550971717 /nfs/dbraw/zinc/97/17/17/550971717.db2.gz AEFKREUWYBXKHR-WIYYLYMNSA-N 1 2 371.481 2.430 20 30 FEEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCO[C@]3(CCO[C@@H]3C)C2)c1C ZINC000280212179 550971719 /nfs/dbraw/zinc/97/17/19/550971719.db2.gz AEFKREUWYBXKHR-WIYYLYMNSA-N 1 2 371.481 2.430 20 30 FEEDLO CC(C)(C#N)c1ccc(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)cc1 ZINC000280430862 550992941 /nfs/dbraw/zinc/99/29/41/550992941.db2.gz DOVMSPGGAYULPC-UHFFFAOYSA-N 1 2 367.453 2.269 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C1=O ZINC000281407874 551093577 /nfs/dbraw/zinc/09/35/77/551093577.db2.gz QXROJKVTXLBOKC-MJGOQNOKSA-N 1 2 368.481 2.349 20 30 FEEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C1=O ZINC000281407874 551093578 /nfs/dbraw/zinc/09/35/78/551093578.db2.gz QXROJKVTXLBOKC-MJGOQNOKSA-N 1 2 368.481 2.349 20 30 FEEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)NCCCSc2ccccc2)C1=O ZINC000281445016 551098690 /nfs/dbraw/zinc/09/86/90/551098690.db2.gz UHPDXOZLZOIGSU-KRWDZBQOSA-N 1 2 361.511 2.004 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)NCCCSc2ccccc2)C1=O ZINC000281445016 551098692 /nfs/dbraw/zinc/09/86/92/551098692.db2.gz UHPDXOZLZOIGSU-KRWDZBQOSA-N 1 2 361.511 2.004 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N(C)[C@@H]2CCCc3ccccc32)C1=O ZINC000281514062 551107334 /nfs/dbraw/zinc/10/73/34/551107334.db2.gz YXKXYESXIVIDOI-MOPGFXCFSA-N 1 2 355.482 2.241 20 30 FEEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N(C)[C@@H]2CCCc3ccccc32)C1=O ZINC000281514062 551107335 /nfs/dbraw/zinc/10/73/35/551107335.db2.gz YXKXYESXIVIDOI-MOPGFXCFSA-N 1 2 355.482 2.241 20 30 FEEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)CC(=O)NCc1cccs1 ZINC000496999119 561496815 /nfs/dbraw/zinc/49/68/15/561496815.db2.gz FJVRMFFDKYBWNC-AWEZNQCLSA-N 1 2 362.499 2.027 20 30 FEEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)CC(=O)NCc1cccs1 ZINC000496999119 561496816 /nfs/dbraw/zinc/49/68/16/561496816.db2.gz FJVRMFFDKYBWNC-AWEZNQCLSA-N 1 2 362.499 2.027 20 30 FEEDLO CC(C)[NH+]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)CC1 ZINC000282639228 551254911 /nfs/dbraw/zinc/25/49/11/551254911.db2.gz CVKQCAOKVRYFJE-UHFFFAOYSA-N 1 2 361.389 2.292 20 30 FEEDLO C=C(C)Cn1c([C@H](C)CC)nnc1N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000282843148 551276762 /nfs/dbraw/zinc/27/67/62/551276762.db2.gz KWQYEKHSCRDXJA-QGZVFWFLSA-N 1 2 374.533 2.112 20 30 FEEDLO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NCCCn1cc[nH+]c1 ZINC000283049847 551303404 /nfs/dbraw/zinc/30/34/04/551303404.db2.gz AFUPAWQTDYEMCL-UHFFFAOYSA-N 1 2 366.874 2.319 20 30 FEEDLO C=CCN(CC=C)C(=O)C(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000283866768 551440525 /nfs/dbraw/zinc/44/05/25/551440525.db2.gz BUNUGTPBYONGFH-UHFFFAOYSA-N 1 2 356.470 2.279 20 30 FEEDLO Cc1cc(S(=O)(=O)N[C@H](c2[nH+]ccn2C)C2CCOCC2)ccc1C#N ZINC000284420463 551545452 /nfs/dbraw/zinc/54/54/52/551545452.db2.gz CIZCIKPCTMSOLN-KRWDZBQOSA-N 1 2 374.466 2.046 20 30 FEEDLO CNS(=O)(=O)c1cccc2c1CC[N@H+](Cc1ccc(C#N)cc1OC)C2 ZINC000284667933 551603029 /nfs/dbraw/zinc/60/30/29/551603029.db2.gz GTDIGFQYJUFDMG-UHFFFAOYSA-N 1 2 371.462 2.033 20 30 FEEDLO CNS(=O)(=O)c1cccc2c1CC[N@@H+](Cc1ccc(C#N)cc1OC)C2 ZINC000284667933 551603031 /nfs/dbraw/zinc/60/30/31/551603031.db2.gz GTDIGFQYJUFDMG-UHFFFAOYSA-N 1 2 371.462 2.033 20 30 FEEDLO Cn1c[nH+]cc1[C@H]1[C@H](C(=O)Oc2ccc(C#N)cc2)CCC(=O)N1C1CC1 ZINC000285948539 551830709 /nfs/dbraw/zinc/83/07/09/551830709.db2.gz WBNFPORYXVYMNY-VQIMIIECSA-N 1 2 364.405 2.339 20 30 FEEDLO Cn1cnnc1C[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000286955309 551944485 /nfs/dbraw/zinc/94/44/85/551944485.db2.gz MWPJDNIVMBFALE-UHFFFAOYSA-N 1 2 358.471 2.088 20 30 FEEDLO Cn1cnnc1C[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000286955309 551944486 /nfs/dbraw/zinc/94/44/86/551944486.db2.gz MWPJDNIVMBFALE-UHFFFAOYSA-N 1 2 358.471 2.088 20 30 FEEDLO CNC(=O)OC[C@H]1CCCC[N@@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000287116794 551965811 /nfs/dbraw/zinc/96/58/11/551965811.db2.gz YUMKWYXMICDLNO-CQSZACIVSA-N 1 2 364.833 2.361 20 30 FEEDLO CNC(=O)OC[C@H]1CCCC[N@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000287116794 551965813 /nfs/dbraw/zinc/96/58/13/551965813.db2.gz YUMKWYXMICDLNO-CQSZACIVSA-N 1 2 364.833 2.361 20 30 FEEDLO CCOc1ccc(C#N)cc1NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000287183262 551973982 /nfs/dbraw/zinc/97/39/82/551973982.db2.gz XZEKVKYMGKGVQF-HOCLYGCPSA-N 1 2 358.442 2.284 20 30 FEEDLO C=CCN1CC[C@@H]([N@H+]2CCCC[C@@H]2c2nnc(CC(F)(F)F)o2)C1=O ZINC000287217049 551977354 /nfs/dbraw/zinc/97/73/54/551977354.db2.gz FGHNAMQZYANHCP-VXGBXAGGSA-N 1 2 358.364 2.488 20 30 FEEDLO C=CCN1CC[C@@H]([N@@H+]2CCCC[C@@H]2c2nnc(CC(F)(F)F)o2)C1=O ZINC000287217049 551977355 /nfs/dbraw/zinc/97/73/55/551977355.db2.gz FGHNAMQZYANHCP-VXGBXAGGSA-N 1 2 358.364 2.488 20 30 FEEDLO C=C(C)CN(CC)C(=O)C(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000288730571 552202487 /nfs/dbraw/zinc/20/24/87/552202487.db2.gz HCTLJKOJBGTLCZ-UHFFFAOYSA-N 1 2 354.454 2.167 20 30 FEEDLO C=CCN1CC[C@@H](O[NH+]=C(N)c2ccc(OCc3cccnc3)cc2)C1=O ZINC000289387686 552312637 /nfs/dbraw/zinc/31/26/37/552312637.db2.gz MCQMFAGCYVDUDD-GOSISDBHSA-N 1 2 366.421 2.084 20 30 FEEDLO C#Cc1ccc(CNc2ccc(C(=O)NCC[NH+]3CCOCC3)cc2)cc1 ZINC000289496406 552330969 /nfs/dbraw/zinc/33/09/69/552330969.db2.gz BXKIMZMJPGZJGA-UHFFFAOYSA-N 1 2 363.461 2.342 20 30 FEEDLO Cn1cc(CN(CCC[NH+]2CCOCC2)Cc2ccncc2)cc1C#N ZINC000289717974 552367224 /nfs/dbraw/zinc/36/72/24/552367224.db2.gz HBKSZLLMXYYKHF-UHFFFAOYSA-N 1 2 353.470 2.016 20 30 FEEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2cc(C(=O)OC)c(C)n2C)c1 ZINC000291140410 552592340 /nfs/dbraw/zinc/59/23/40/552592340.db2.gz FXIDHGUAZAAGKD-UHFFFAOYSA-N 1 2 353.422 2.172 20 30 FEEDLO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2cc(C(=O)OC)c(C)n2C)c1 ZINC000291140410 552592341 /nfs/dbraw/zinc/59/23/41/552592341.db2.gz FXIDHGUAZAAGKD-UHFFFAOYSA-N 1 2 353.422 2.172 20 30 FEEDLO N#Cc1ccc(O[C@@H]2CCN(c3cc(N4CCCCC4)[nH+]cn3)C2)nc1 ZINC000291677501 552649976 /nfs/dbraw/zinc/64/99/76/552649976.db2.gz DZXGVMCXALYAQY-MRXNPFEDSA-N 1 2 350.426 2.391 20 30 FEEDLO N#Cc1ccc(O[C@@H]2CCN(c3cc(N4CCCCC4)nc[nH+]3)C2)nc1 ZINC000291677501 552649977 /nfs/dbraw/zinc/64/99/77/552649977.db2.gz DZXGVMCXALYAQY-MRXNPFEDSA-N 1 2 350.426 2.391 20 30 FEEDLO CS(=O)(=O)C[C@H]1CC[N@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000292124216 552696375 /nfs/dbraw/zinc/69/63/75/552696375.db2.gz GUGCKIKOMOOULO-LBPRGKRZSA-N 1 2 357.273 2.187 20 30 FEEDLO CS(=O)(=O)C[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000292124216 552696377 /nfs/dbraw/zinc/69/63/77/552696377.db2.gz GUGCKIKOMOOULO-LBPRGKRZSA-N 1 2 357.273 2.187 20 30 FEEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292312373 552714984 /nfs/dbraw/zinc/71/49/84/552714984.db2.gz VKWYBDKDNZUKFM-KSSFIOAISA-N 1 2 361.405 2.305 20 30 FEEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292312373 552714986 /nfs/dbraw/zinc/71/49/86/552714986.db2.gz VKWYBDKDNZUKFM-KSSFIOAISA-N 1 2 361.405 2.305 20 30 FEEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)nc1 ZINC000292366564 552719881 /nfs/dbraw/zinc/71/98/81/552719881.db2.gz YHMOETPKCNPGCJ-HNNXBMFYSA-N 1 2 369.337 2.423 20 30 FEEDLO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)nc1 ZINC000292366564 552719882 /nfs/dbraw/zinc/71/98/82/552719882.db2.gz YHMOETPKCNPGCJ-HNNXBMFYSA-N 1 2 369.337 2.423 20 30 FEEDLO COC(=O)[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000292664992 552747713 /nfs/dbraw/zinc/74/77/13/552747713.db2.gz OQXVWRFKZJKPFK-AWEZNQCLSA-N 1 2 361.467 2.465 20 30 FEEDLO COC(=O)[C@@H]1CCCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000292664992 552747715 /nfs/dbraw/zinc/74/77/15/552747715.db2.gz OQXVWRFKZJKPFK-AWEZNQCLSA-N 1 2 361.467 2.465 20 30 FEEDLO CC(C)c1ccc(S(=O)(=O)N2CC[NH+](CCOCCC#N)CC2)cc1 ZINC000292947542 552773815 /nfs/dbraw/zinc/77/38/15/552773815.db2.gz BIDIPIBPXXQUJQ-UHFFFAOYSA-N 1 2 365.499 2.047 20 30 FEEDLO CCOc1ccc(/C=C/C(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1 ZINC000294479155 552909426 /nfs/dbraw/zinc/90/94/26/552909426.db2.gz RKOPQEBRQHXPID-RMKNXTFCSA-N 1 2 357.454 2.173 20 30 FEEDLO Cc1ccnc(-c2noc(C[N@@H+]3CC[C@@H](Oc4ccc(C#N)cn4)C3)n2)c1 ZINC000295254092 552976821 /nfs/dbraw/zinc/97/68/21/552976821.db2.gz XDFXBIMCJNLXSG-OAHLLOKOSA-N 1 2 362.393 2.360 20 30 FEEDLO Cc1ccnc(-c2noc(C[N@H+]3CC[C@@H](Oc4ccc(C#N)cn4)C3)n2)c1 ZINC000295254092 552976823 /nfs/dbraw/zinc/97/68/23/552976823.db2.gz XDFXBIMCJNLXSG-OAHLLOKOSA-N 1 2 362.393 2.360 20 30 FEEDLO Cc1oc(NC(=O)C[N@@H+]2CCC[C@@H](CC(C)(C)C(N)=O)C2)c(C#N)c1C ZINC000295419025 553003533 /nfs/dbraw/zinc/00/35/33/553003533.db2.gz CHEFBFXFEKXRFS-AWEZNQCLSA-N 1 2 360.458 2.320 20 30 FEEDLO Cc1oc(NC(=O)C[N@H+]2CCC[C@@H](CC(C)(C)C(N)=O)C2)c(C#N)c1C ZINC000295419025 553003535 /nfs/dbraw/zinc/00/35/35/553003535.db2.gz CHEFBFXFEKXRFS-AWEZNQCLSA-N 1 2 360.458 2.320 20 30 FEEDLO CN(C)C(=O)O[C@H]1CCC[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000295454468 553009188 /nfs/dbraw/zinc/00/91/88/553009188.db2.gz FGWNRNLDCLRDJM-HNNXBMFYSA-N 1 2 355.398 2.271 20 30 FEEDLO CN(C)C(=O)O[C@H]1CCC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000295454468 553009190 /nfs/dbraw/zinc/00/91/90/553009190.db2.gz FGWNRNLDCLRDJM-HNNXBMFYSA-N 1 2 355.398 2.271 20 30 FEEDLO Cc1cccc(NC(=O)C(=O)N2CC(C)(C)[C@@H]2c2[nH+]ccn2C)c1C#N ZINC000296057443 553097716 /nfs/dbraw/zinc/09/77/16/553097716.db2.gz IWEXZKBUGLOBFC-HNNXBMFYSA-N 1 2 351.410 2.148 20 30 FEEDLO N#CCCN(C(=O)C[NH+]1CCN(c2ccc(C#N)cn2)CC1)c1ccccc1 ZINC000299057043 553509505 /nfs/dbraw/zinc/50/95/05/553509505.db2.gz MWHYLWDZCDERPH-UHFFFAOYSA-N 1 2 374.448 2.022 20 30 FEEDLO CCCNC(=O)[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000299461539 553566418 /nfs/dbraw/zinc/56/64/18/553566418.db2.gz FAQZLJQPKOATAC-HIFRSBDPSA-N 1 2 360.458 2.333 20 30 FEEDLO CCCNC(=O)[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000299461539 553566420 /nfs/dbraw/zinc/56/64/20/553566420.db2.gz FAQZLJQPKOATAC-HIFRSBDPSA-N 1 2 360.458 2.333 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)CCCOc1ccc(F)cc1 ZINC000299507735 553573155 /nfs/dbraw/zinc/57/31/55/553573155.db2.gz HXQSDQVDWWFINC-UHFFFAOYSA-N 1 2 363.433 2.059 20 30 FEEDLO C=CCCc1ccccc1NC(=O)C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000504360074 561656915 /nfs/dbraw/zinc/65/69/15/561656915.db2.gz YFIIDLAYNAYLDO-CALCHBBNSA-N 1 2 373.497 2.311 20 30 FEEDLO C=CCCc1ccccc1NC(=O)C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000504360074 561656916 /nfs/dbraw/zinc/65/69/16/561656916.db2.gz YFIIDLAYNAYLDO-CALCHBBNSA-N 1 2 373.497 2.311 20 30 FEEDLO Cc1ccc(N2CC[NH+](CC(=O)N[C@H]3CCC[C@@H](C)C3)CC2)nc1C#N ZINC000302640028 553723450 /nfs/dbraw/zinc/72/34/50/553723450.db2.gz LASPGDGKFVXQIK-WBVHZDCISA-N 1 2 355.486 2.079 20 30 FEEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCC(OC2CCCCC2)CC1 ZINC000328779735 553821371 /nfs/dbraw/zinc/82/13/71/553821371.db2.gz FAWVAEZASSHAAO-INIZCTEOSA-N 1 2 353.507 2.435 20 30 FEEDLO Cn1cc(C[NH+]2CCN(CC(=O)NC34CC5CC(CC(C5)C3)C4)CC2)cn1 ZINC000328817995 553827344 /nfs/dbraw/zinc/82/73/44/553827344.db2.gz OEYUMGMPEJCAPP-UHFFFAOYSA-N 1 2 371.529 2.463 20 30 FEEDLO Cn1cc(CN2CC[NH+](CC(=O)NC34CC5CC(CC(C5)C3)C4)CC2)cn1 ZINC000328817995 553827345 /nfs/dbraw/zinc/82/73/45/553827345.db2.gz OEYUMGMPEJCAPP-UHFFFAOYSA-N 1 2 371.529 2.463 20 30 FEEDLO CC(=O)N1CC[C@H](CN(C)C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)C1 ZINC000328846997 553831518 /nfs/dbraw/zinc/83/15/18/553831518.db2.gz QQNXQOPFKPNSAA-CYBMUJFWSA-N 1 2 363.849 2.202 20 30 FEEDLO C[C@H](CC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1)NC(=O)C1CCCCC1 ZINC000328903922 553841770 /nfs/dbraw/zinc/84/17/70/553841770.db2.gz IOTIMHISOHTYKR-PVAVHDDUSA-N 1 2 351.491 2.233 20 30 FEEDLO C[C@H](CC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1)NC(=O)C1CCCCC1 ZINC000328903922 553841775 /nfs/dbraw/zinc/84/17/75/553841775.db2.gz IOTIMHISOHTYKR-PVAVHDDUSA-N 1 2 351.491 2.233 20 30 FEEDLO O=C(Cc1ccc2c(c1)CCO2)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000328909710 553843336 /nfs/dbraw/zinc/84/33/36/553843336.db2.gz DYAAHIDAUVEMAH-UHFFFAOYSA-N 1 2 371.481 2.065 20 30 FEEDLO C[C@@H]1CN(C(=O)NC[C@H]2CCCn3cc[nH+]c32)CCN1CC(F)(F)F ZINC000328910420 553843309 /nfs/dbraw/zinc/84/33/09/553843309.db2.gz NLDJFHZZPNABEM-CHWSQXEVSA-N 1 2 359.396 2.243 20 30 FEEDLO C=C(C)[C@H](NC(=O)C[N@@H+](C)CC(=O)NC(C)C)c1ccc(F)c(F)c1 ZINC000505902044 561684707 /nfs/dbraw/zinc/68/47/07/561684707.db2.gz ZIFSDOZTNOBVNM-SFHVURJKSA-N 1 2 353.413 2.155 20 30 FEEDLO C=C(C)[C@H](NC(=O)C[N@H+](C)CC(=O)NC(C)C)c1ccc(F)c(F)c1 ZINC000505902044 561684709 /nfs/dbraw/zinc/68/47/09/561684709.db2.gz ZIFSDOZTNOBVNM-SFHVURJKSA-N 1 2 353.413 2.155 20 30 FEEDLO C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@@H+]1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000328935573 553848699 /nfs/dbraw/zinc/84/86/99/553848699.db2.gz CMMQAVHGZMTIAC-HMDCTGQHSA-N 1 2 367.490 2.297 20 30 FEEDLO C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@H+]1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000328935573 553848701 /nfs/dbraw/zinc/84/87/01/553848701.db2.gz CMMQAVHGZMTIAC-HMDCTGQHSA-N 1 2 367.490 2.297 20 30 FEEDLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N[C@H]1CCN(CC(F)(F)F)C1=O ZINC000329002459 553862004 /nfs/dbraw/zinc/86/20/04/553862004.db2.gz WGIWIODBVHQFTJ-UPJWGTAASA-N 1 2 370.375 2.274 20 30 FEEDLO Cn1cc(C[NH+]2CCN(C(=O)NC3C4CC5CC(C4)CC3C5)CC2)cn1 ZINC000329175300 553895469 /nfs/dbraw/zinc/89/54/69/553895469.db2.gz MHAJNSDLBIEBJM-UHFFFAOYSA-N 1 2 357.502 2.276 20 30 FEEDLO C[C@H](C(=O)NCc1ccccc1Cl)[N@@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000329182217 553897397 /nfs/dbraw/zinc/89/73/97/553897397.db2.gz OLPQWHLJZFHKEX-OSAQELSMSA-N 1 2 356.875 2.304 20 30 FEEDLO C[C@H](C(=O)NCc1ccccc1Cl)[N@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000329182217 553897398 /nfs/dbraw/zinc/89/73/98/553897398.db2.gz OLPQWHLJZFHKEX-OSAQELSMSA-N 1 2 356.875 2.304 20 30 FEEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000329253574 553911536 /nfs/dbraw/zinc/91/15/36/553911536.db2.gz ZGHHYRYRWOIEKK-ICUGJSFKSA-N 1 2 363.502 2.043 20 30 FEEDLO Cc1ccc2[nH+]c(CNC(=O)N3CC[C@@H](C(=O)N4CCCC4)C3)cn2c1 ZINC000329256257 553912105 /nfs/dbraw/zinc/91/21/05/553912105.db2.gz XNCHXDHDAYDJKF-OAHLLOKOSA-N 1 2 355.442 2.001 20 30 FEEDLO [O-]C(=[NH+][C@H]1CCc2c[nH]nc2C1)N1CCc2c([nH+]cn2-c2ccccc2)C1 ZINC000329293631 553918970 /nfs/dbraw/zinc/91/89/70/553918970.db2.gz RSHOULUFHIHPNO-HNNXBMFYSA-N 1 2 362.437 2.425 20 30 FEEDLO CC[C@H]1CN(C(=O)Nc2cccc3c2OCCC3=O)C[C@@H]1[NH+]1CCOCC1 ZINC000329355583 553930449 /nfs/dbraw/zinc/93/04/49/553930449.db2.gz VUHRNGMWACADDK-YOEHRIQHSA-N 1 2 373.453 2.240 20 30 FEEDLO Cc1nnc([C@@H]2CCC[N@H+](CC(=O)NC[C@H]3COc4ccccc4O3)C2)[nH]1 ZINC000329418310 553942908 /nfs/dbraw/zinc/94/29/08/553942908.db2.gz DRXMCHDCKVAAOD-CABCVRRESA-N 1 2 371.441 2.089 20 30 FEEDLO Cc1nnc([C@@H]2CCC[N@@H+](CC(=O)NC[C@H]3COc4ccccc4O3)C2)[nH]1 ZINC000329418310 553942910 /nfs/dbraw/zinc/94/29/10/553942910.db2.gz DRXMCHDCKVAAOD-CABCVRRESA-N 1 2 371.441 2.089 20 30 FEEDLO Cc1n[nH]c([C@@H]2CCC[N@H+](CC(=O)NC[C@H]3COc4ccccc4O3)C2)n1 ZINC000329418310 553942912 /nfs/dbraw/zinc/94/29/12/553942912.db2.gz DRXMCHDCKVAAOD-CABCVRRESA-N 1 2 371.441 2.089 20 30 FEEDLO Cc1n[nH]c([C@@H]2CCC[N@@H+](CC(=O)NC[C@H]3COc4ccccc4O3)C2)n1 ZINC000329418310 553942914 /nfs/dbraw/zinc/94/29/14/553942914.db2.gz DRXMCHDCKVAAOD-CABCVRRESA-N 1 2 371.441 2.089 20 30 FEEDLO CO[C@@H]1CN(C(=O)N[C@H](c2[nH+]ccn2C)C2CCOCC2)CC[C@@H]1C ZINC000329425669 553944601 /nfs/dbraw/zinc/94/46/01/553944601.db2.gz GJYSXEBCWAOCII-IMJJTQAJSA-N 1 2 350.463 2.159 20 30 FEEDLO C[NH+]1CCN(C(=O)c2cc(NC(=O)N[C@@H]3CC34CCCCC4)ccn2)CC1 ZINC000329442551 553947979 /nfs/dbraw/zinc/94/79/79/553947979.db2.gz NHBXHYJCRZGRAM-QGZVFWFLSA-N 1 2 371.485 2.327 20 30 FEEDLO C[C@@H](C(=O)NC1CCCC1)N1CC[NH+](Cc2c[nH]c3nccnc23)CC1 ZINC000329444599 553948306 /nfs/dbraw/zinc/94/83/06/553948306.db2.gz BDAAPYBFBIRLON-AWEZNQCLSA-N 1 2 356.474 2.315 20 30 FEEDLO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(Cc2c[nH]c3nccnc23)CC1 ZINC000329444599 553948307 /nfs/dbraw/zinc/94/83/07/553948307.db2.gz BDAAPYBFBIRLON-AWEZNQCLSA-N 1 2 356.474 2.315 20 30 FEEDLO O=C(Nc1ccccc1)NC1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000329491552 553957263 /nfs/dbraw/zinc/95/72/63/553957263.db2.gz VNBCJGGLBLNSHJ-HNNXBMFYSA-N 1 2 367.453 2.272 20 30 FEEDLO C[C@@H](C(=O)Nc1ccccc1OC(F)F)[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000329692529 553990132 /nfs/dbraw/zinc/99/01/32/553990132.db2.gz WONHBOSRBRWJTL-QWHCGFSZSA-N 1 2 355.385 2.281 20 30 FEEDLO C[C@@H](C(=O)Nc1ccccc1OC(F)F)[N@H+]1CCN2CCOC[C@H]2C1 ZINC000329692529 553990133 /nfs/dbraw/zinc/99/01/33/553990133.db2.gz WONHBOSRBRWJTL-QWHCGFSZSA-N 1 2 355.385 2.281 20 30 FEEDLO Cn1nnc2c1C[C@H](C(=O)N[C@H]1CCc3[nH+]c(C(C)(C)C)cn3C1)CC2 ZINC000329797455 554007473 /nfs/dbraw/zinc/00/74/73/554007473.db2.gz XEGXMXGVRUZWJJ-OLZOCXBDSA-N 1 2 356.474 2.386 20 30 FEEDLO CCN1CCN(C(=O)Nc2c[nH+]c(N3CCCC[C@H]3C)c(C)c2)CC1=O ZINC000329819430 554011475 /nfs/dbraw/zinc/01/14/75/554011475.db2.gz GNLYPBXYKIDZKF-OAHLLOKOSA-N 1 2 359.474 2.478 20 30 FEEDLO CNC(=O)N[C@H]1CC[N@H+](Cc2nnc(-c3cc4c(s3)CCCC4)o2)C1 ZINC000329856160 554019782 /nfs/dbraw/zinc/01/97/82/554019782.db2.gz XXYMSOCJGLBUPL-LBPRGKRZSA-N 1 2 361.471 2.385 20 30 FEEDLO CNC(=O)N[C@H]1CC[N@@H+](Cc2nnc(-c3cc4c(s3)CCCC4)o2)C1 ZINC000329856160 554019784 /nfs/dbraw/zinc/01/97/84/554019784.db2.gz XXYMSOCJGLBUPL-LBPRGKRZSA-N 1 2 361.471 2.385 20 30 FEEDLO CN(Cc1ccccc1F)C(=O)C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000507288100 561723673 /nfs/dbraw/zinc/72/36/73/561723673.db2.gz YKFZYERDNURFCC-UHFFFAOYSA-N 1 2 366.440 2.478 20 30 FEEDLO Cc1cc(C[N@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)NC[C@H]2CCSC2)on1 ZINC000329895599 554026350 /nfs/dbraw/zinc/02/63/50/554026350.db2.gz BYWJOEMXRFJXIN-ILXRZTDVSA-N 1 2 370.494 2.494 20 30 FEEDLO Cc1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)NC[C@H]2CCSC2)on1 ZINC000329895599 554026352 /nfs/dbraw/zinc/02/63/52/554026352.db2.gz BYWJOEMXRFJXIN-ILXRZTDVSA-N 1 2 370.494 2.494 20 30 FEEDLO CN(C(=O)C[N@H+](CCC1CCCCC1)CC(N)=O)C1(C#N)CCCCC1 ZINC000507484616 561730553 /nfs/dbraw/zinc/73/05/53/561730553.db2.gz QRXJTSXEBUVTGX-UHFFFAOYSA-N 1 2 362.518 2.429 20 30 FEEDLO CN(C(=O)C[N@@H+](CCC1CCCCC1)CC(N)=O)C1(C#N)CCCCC1 ZINC000507484616 561730555 /nfs/dbraw/zinc/73/05/55/561730555.db2.gz QRXJTSXEBUVTGX-UHFFFAOYSA-N 1 2 362.518 2.429 20 30 FEEDLO C[C@H](CNC(=O)c1ccccc1C[NH+]1CCOCC1)N1CCCCC1=O ZINC000330083027 554061962 /nfs/dbraw/zinc/06/19/62/554061962.db2.gz KNKOPXNIGACODU-MRXNPFEDSA-N 1 2 359.470 2.224 20 30 FEEDLO CN1CC[N@H+](C)[C@@H](CNC(=O)Nc2cc(F)ccc2OCC2CC2)C1 ZINC000330101305 554064388 /nfs/dbraw/zinc/06/43/88/554064388.db2.gz FJUUHQOMWHZBAC-HNNXBMFYSA-N 1 2 350.438 2.186 20 30 FEEDLO CN1CC[N@@H+](C)[C@@H](CNC(=O)Nc2cc(F)ccc2OCC2CC2)C1 ZINC000330101305 554064392 /nfs/dbraw/zinc/06/43/92/554064392.db2.gz FJUUHQOMWHZBAC-HNNXBMFYSA-N 1 2 350.438 2.186 20 30 FEEDLO C[C@@H](C(=O)NC1CCCC1)N1CC[NH+](CCOc2cccc(C#N)c2)CC1 ZINC000507749496 561739758 /nfs/dbraw/zinc/73/97/58/561739758.db2.gz SOZDTJLVKKYKFU-KRWDZBQOSA-N 1 2 370.497 2.002 20 30 FEEDLO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(CCOc2cccc(C#N)c2)CC1 ZINC000507749496 561739759 /nfs/dbraw/zinc/73/97/59/561739759.db2.gz SOZDTJLVKKYKFU-KRWDZBQOSA-N 1 2 370.497 2.002 20 30 FEEDLO Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NC(=O)[C@@H](C)[NH+]1CCSCC1 ZINC000330277361 554098338 /nfs/dbraw/zinc/09/83/38/554098338.db2.gz OCGWHYVAJNQCSF-YCPHGPKFSA-N 1 2 352.504 2.261 20 30 FEEDLO Cc1cn2cc(NC(=O)[C@H]3CC(=O)N(C)[C@H]3c3cnn(C)c3C)ccc2[nH+]1 ZINC000330287760 554099819 /nfs/dbraw/zinc/09/98/19/554099819.db2.gz COPOJIZVYGXWDM-KBXCAEBGSA-N 1 2 366.425 2.492 20 30 FEEDLO CCC1CCC2(CC1)NC(=O)N(CC(=O)N[C@H]1CCn3cc[nH+]c3C1)C2=O ZINC000330325134 554105544 /nfs/dbraw/zinc/10/55/44/554105544.db2.gz UMNWOWLUSULYHU-BIWSTMPVSA-N 1 2 373.457 2.250 20 30 FEEDLO Cn1cc[nH+]c1[C@H](NC(=O)N1CC[C@H](O)C12CCCC2)C1CCOCC1 ZINC000330351506 554110076 /nfs/dbraw/zinc/11/00/76/554110076.db2.gz MIGXXJMFNHRJOC-JKSUJKDBSA-N 1 2 362.474 2.181 20 30 FEEDLO C[C@H]1C[N@H+](C)[C@@H](C)CN1S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000507933781 561746309 /nfs/dbraw/zinc/74/63/09/561746309.db2.gz IQVIMDABLVMAHB-QWRGUYRKSA-N 1 2 361.389 2.290 20 30 FEEDLO C[C@H]1C[N@@H+](C)[C@@H](C)CN1S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000507933781 561746310 /nfs/dbraw/zinc/74/63/10/561746310.db2.gz IQVIMDABLVMAHB-QWRGUYRKSA-N 1 2 361.389 2.290 20 30 FEEDLO CC(C)(C)OC(=O)C1CC[NH+](CC(=O)NC(=O)NC2CCCCC2)CC1 ZINC000330485767 554127813 /nfs/dbraw/zinc/12/78/13/554127813.db2.gz CCOFIAHZFYKERU-UHFFFAOYSA-N 1 2 367.490 2.403 20 30 FEEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2cnn(C)c2C#N)[C@@H](C)C1 ZINC000508313702 561758568 /nfs/dbraw/zinc/75/85/68/561758568.db2.gz BOEZYWHGJJZPQW-HNNXBMFYSA-N 1 2 367.453 2.037 20 30 FEEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)c2cnn(C)c2C#N)[C@@H](C)C1 ZINC000508313702 561758569 /nfs/dbraw/zinc/75/85/69/561758569.db2.gz BOEZYWHGJJZPQW-HNNXBMFYSA-N 1 2 367.453 2.037 20 30 FEEDLO CNC(=O)N[C@@H]1CC[N@H+](CC(=O)N[C@@H](c2cccs2)C(C)(C)C)C1 ZINC000330953149 554193647 /nfs/dbraw/zinc/19/36/47/554193647.db2.gz RFLFHKXGAFMWMT-DOMZBBRYSA-N 1 2 352.504 2.159 20 30 FEEDLO CNC(=O)N[C@@H]1CC[N@@H+](CC(=O)N[C@@H](c2cccs2)C(C)(C)C)C1 ZINC000330953149 554193649 /nfs/dbraw/zinc/19/36/49/554193649.db2.gz RFLFHKXGAFMWMT-DOMZBBRYSA-N 1 2 352.504 2.159 20 30 FEEDLO CC(C)c1cc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)n(C)n1 ZINC000330979777 554196583 /nfs/dbraw/zinc/19/65/83/554196583.db2.gz NJIKQSYMUPYQAQ-UHFFFAOYSA-N 1 2 351.454 2.373 20 30 FEEDLO Cc1cc(NC(=O)NCC[N@@H+]2CCOC(C)(C)C2)c(C#N)cc1N(C)C ZINC000331240321 554235314 /nfs/dbraw/zinc/23/53/14/554235314.db2.gz LBHONDZVMUOBBS-UHFFFAOYSA-N 1 2 359.474 2.369 20 30 FEEDLO Cc1cc(NC(=O)NCC[N@H+]2CCOC(C)(C)C2)c(C#N)cc1N(C)C ZINC000331240321 554235319 /nfs/dbraw/zinc/23/53/19/554235319.db2.gz LBHONDZVMUOBBS-UHFFFAOYSA-N 1 2 359.474 2.369 20 30 FEEDLO C=CCn1c([C@H](C)CC)nnc1N1CC[NH+](CC(=O)N[C@H](C)CC)CC1 ZINC000508825342 561773982 /nfs/dbraw/zinc/77/39/82/561773982.db2.gz JYQZLNGBCVLBLE-HZPDHXFCSA-N 1 2 362.522 2.014 20 30 FEEDLO C=CC[C@H]1[N@H+](CC(=O)N(CC)[C@H]2CCS(=O)(=O)C2)CCCC1(C)C ZINC000331308369 554245396 /nfs/dbraw/zinc/24/53/96/554245396.db2.gz XEBZTELNTQVPJS-JKSUJKDBSA-N 1 2 356.532 2.089 20 30 FEEDLO C=CC[C@H]1[N@@H+](CC(=O)N(CC)[C@H]2CCS(=O)(=O)C2)CCCC1(C)C ZINC000331308369 554245399 /nfs/dbraw/zinc/24/53/99/554245399.db2.gz XEBZTELNTQVPJS-JKSUJKDBSA-N 1 2 356.532 2.089 20 30 FEEDLO C=CCn1c(-c2ccc(CC)cc2)nnc1N(C)CC[NH+]1CCOCC1 ZINC000508845946 561774874 /nfs/dbraw/zinc/77/48/74/561774874.db2.gz DSWOVHAWRULRFA-UHFFFAOYSA-N 1 2 355.486 2.462 20 30 FEEDLO C[NH+](C)Cc1nc(C2(NC(=O)Cc3c(F)cccc3C#N)CCCC2)no1 ZINC000508912450 561777911 /nfs/dbraw/zinc/77/79/11/561777911.db2.gz HHWIVDDSQSSNCV-UHFFFAOYSA-N 1 2 371.416 2.270 20 30 FEEDLO N#Cc1ccc(N2CC[C@@H]([N@@H+]3CCC[C@](O)(C(F)(F)F)C3)C2=O)cc1 ZINC000331676959 554306609 /nfs/dbraw/zinc/30/66/09/554306609.db2.gz OXPRYWOZHUTOTG-GDBMZVCRSA-N 1 2 353.344 2.053 20 30 FEEDLO N#Cc1ccc(N2CC[C@@H]([N@H+]3CCC[C@](O)(C(F)(F)F)C3)C2=O)cc1 ZINC000331676959 554306613 /nfs/dbraw/zinc/30/66/13/554306613.db2.gz OXPRYWOZHUTOTG-GDBMZVCRSA-N 1 2 353.344 2.053 20 30 FEEDLO CC[C@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@H]1CCCO1 ZINC000331857723 554332399 /nfs/dbraw/zinc/33/23/99/554332399.db2.gz XUEMPBAKZXIWGP-RBUKOAKNSA-N 1 2 356.470 2.343 20 30 FEEDLO Cc1oc(NC(=O)CN2CCN(c3c[nH+]ccc3C)CC2)c(C#N)c1C ZINC000331908003 554344004 /nfs/dbraw/zinc/34/40/04/554344004.db2.gz XPOWVKYBCMMIEB-UHFFFAOYSA-N 1 2 353.426 2.232 20 30 FEEDLO CC(C)[C@@H]1OCC[C@H]1CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000331956440 554352593 /nfs/dbraw/zinc/35/25/93/554352593.db2.gz RUDDBKMPXNMUNY-PMACEKPBSA-N 1 2 370.497 2.447 20 30 FEEDLO Cc1cccc(C[NH+]2CCN(S(=O)(=O)c3cnc(C)c(C#N)c3)CC2)c1 ZINC000332115192 554383532 /nfs/dbraw/zinc/38/35/32/554383532.db2.gz JYSSFLSMFDLLGX-UHFFFAOYSA-N 1 2 370.478 2.077 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)NCc2cn3c([nH+]2)CCCC3)c(Cl)c1 ZINC000332338577 554428366 /nfs/dbraw/zinc/42/83/66/554428366.db2.gz RNVFFXQPTGAVDL-UHFFFAOYSA-N 1 2 350.831 2.223 20 30 FEEDLO Cc1cc(C)c2ncc(C#N)c(NCC(C)(C)[NH+]3CCS(=O)CC3)c2c1 ZINC000333749045 554639057 /nfs/dbraw/zinc/63/90/57/554639057.db2.gz SNPWYBDCKGDONA-UHFFFAOYSA-N 1 2 370.522 2.400 20 30 FEEDLO Cc1cn2c([nH+]1)CN(C(=O)Nc1nn(-c3ccc(C#N)cn3)cc1C)CC2 ZINC000613164740 554895014 /nfs/dbraw/zinc/89/50/14/554895014.db2.gz HFQGQNCHDOYILI-UHFFFAOYSA-N 1 2 362.397 2.000 20 30 FEEDLO Cc1cc([C@H]2CCC[N@H+](CCS(=O)(=O)c3cccc(C#N)c3)C2)[nH]n1 ZINC000362775262 554987763 /nfs/dbraw/zinc/98/77/63/554987763.db2.gz OSFOVTVGJWTVAS-INIZCTEOSA-N 1 2 358.467 2.243 20 30 FEEDLO Cc1cc([C@H]2CCC[N@@H+](CCS(=O)(=O)c3cccc(C#N)c3)C2)[nH]n1 ZINC000362775262 554987765 /nfs/dbraw/zinc/98/77/65/554987765.db2.gz OSFOVTVGJWTVAS-INIZCTEOSA-N 1 2 358.467 2.243 20 30 FEEDLO Cc1cc([C@H]2CCC[N@H+](CCS(=O)(=O)c3cccc(C#N)c3)C2)n[nH]1 ZINC000362775262 554987766 /nfs/dbraw/zinc/98/77/66/554987766.db2.gz OSFOVTVGJWTVAS-INIZCTEOSA-N 1 2 358.467 2.243 20 30 FEEDLO Cc1cc([C@H]2CCC[N@@H+](CCS(=O)(=O)c3cccc(C#N)c3)C2)n[nH]1 ZINC000362775262 554987768 /nfs/dbraw/zinc/98/77/68/554987768.db2.gz OSFOVTVGJWTVAS-INIZCTEOSA-N 1 2 358.467 2.243 20 30 FEEDLO C=CCN(Cc1ccccc1F)C(=O)c1cnn(CC[NH+]2CCOCC2)c1 ZINC000363408138 555098433 /nfs/dbraw/zinc/09/84/33/555098433.db2.gz NASGJOTXCBYPAQ-UHFFFAOYSA-N 1 2 372.444 2.183 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H](c3ccncn3)C2)cc1 ZINC000363430086 555103899 /nfs/dbraw/zinc/10/38/99/555103899.db2.gz VLVMDFPWVCEPEY-MRXNPFEDSA-N 1 2 356.451 2.002 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@@H](c3ccncn3)C2)cc1 ZINC000363430086 555103901 /nfs/dbraw/zinc/10/39/01/555103901.db2.gz VLVMDFPWVCEPEY-MRXNPFEDSA-N 1 2 356.451 2.002 20 30 FEEDLO COc1cc(C#N)ccc1C[N@@H+]1CCCN(C(=O)c2ccccn2)CC1 ZINC000363486513 555117808 /nfs/dbraw/zinc/11/78/08/555117808.db2.gz DSLAGAZVXOHRNU-UHFFFAOYSA-N 1 2 350.422 2.310 20 30 FEEDLO COc1cc(C#N)ccc1C[N@H+]1CCCN(C(=O)c2ccccn2)CC1 ZINC000363486513 555117810 /nfs/dbraw/zinc/11/78/10/555117810.db2.gz DSLAGAZVXOHRNU-UHFFFAOYSA-N 1 2 350.422 2.310 20 30 FEEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H]1CCCN(c2cnn(C)c2)C1=O ZINC000512221157 561896481 /nfs/dbraw/zinc/89/64/81/561896481.db2.gz WLBQSGLALNWWFZ-GOSISDBHSA-N 1 2 358.442 2.079 20 30 FEEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H]1CCCN(c2cnn(C)c2)C1=O ZINC000512221157 561896482 /nfs/dbraw/zinc/89/64/82/561896482.db2.gz WLBQSGLALNWWFZ-GOSISDBHSA-N 1 2 358.442 2.079 20 30 FEEDLO COc1cc[nH+]cc1NC(=O)[C@H]1CCC(=O)N1Cc1cccc(C#N)c1 ZINC000364338131 555294560 /nfs/dbraw/zinc/29/45/60/555294560.db2.gz LMSUOIPAUCWTEP-MRXNPFEDSA-N 1 2 350.378 2.092 20 30 FEEDLO C=CCSCCNC(=O)N1CCC[C@@H]([N@H+](C)Cc2noc(C)n2)CC1 ZINC000364718921 555385005 /nfs/dbraw/zinc/38/50/05/555385005.db2.gz YATRCLNPGDONRF-OAHLLOKOSA-N 1 2 367.519 2.293 20 30 FEEDLO C=CCSCCNC(=O)N1CCC[C@@H]([N@@H+](C)Cc2noc(C)n2)CC1 ZINC000364718921 555385009 /nfs/dbraw/zinc/38/50/09/555385009.db2.gz YATRCLNPGDONRF-OAHLLOKOSA-N 1 2 367.519 2.293 20 30 FEEDLO CC(=O)Nc1c[nH]nc1[C@H]1CCC[N@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000364887038 555425921 /nfs/dbraw/zinc/42/59/21/555425921.db2.gz ZEKQTTLMHQBPLO-HNNXBMFYSA-N 1 2 366.425 2.058 20 30 FEEDLO CC(=O)Nc1c[nH]nc1[C@H]1CCC[N@@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000364887038 555425923 /nfs/dbraw/zinc/42/59/23/555425923.db2.gz ZEKQTTLMHQBPLO-HNNXBMFYSA-N 1 2 366.425 2.058 20 30 FEEDLO CC(=O)Nc1c[nH]nc1[C@@H]1CCC[N@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000364887039 555425958 /nfs/dbraw/zinc/42/59/58/555425958.db2.gz ZEKQTTLMHQBPLO-OAHLLOKOSA-N 1 2 366.425 2.058 20 30 FEEDLO CC(=O)Nc1c[nH]nc1[C@@H]1CCC[N@@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000364887039 555425960 /nfs/dbraw/zinc/42/59/60/555425960.db2.gz ZEKQTTLMHQBPLO-OAHLLOKOSA-N 1 2 366.425 2.058 20 30 FEEDLO CC(C)(C)OC(=O)C[NH2+][C@]1(C)CCN(C(=O)NCC(C)(C)CCC#N)C1 ZINC000513113391 561925834 /nfs/dbraw/zinc/92/58/34/561925834.db2.gz NHFBOVCEDQNUSP-LJQANCHMSA-N 1 2 366.506 2.422 20 30 FEEDLO CCOC(=O)CCCNC(=O)C[N@@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000365678205 555638940 /nfs/dbraw/zinc/63/89/40/555638940.db2.gz FULNOVADDWWJMG-QZTJIDSGSA-N 1 2 357.454 2.218 20 30 FEEDLO CCOC(=O)CCCNC(=O)C[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000365678205 555638942 /nfs/dbraw/zinc/63/89/42/555638942.db2.gz FULNOVADDWWJMG-QZTJIDSGSA-N 1 2 357.454 2.218 20 30 FEEDLO C[C@@H](NC(=O)C[NH+]1CCN(c2ccc(C#N)nc2)CC1)c1cccs1 ZINC000365755104 555660434 /nfs/dbraw/zinc/66/04/34/555660434.db2.gz WFSUNOLTLPSYMF-CQSZACIVSA-N 1 2 355.467 2.014 20 30 FEEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@@H]1c1nc(N(C)C)no1 ZINC000366714459 555916326 /nfs/dbraw/zinc/91/63/26/555916326.db2.gz SOUBUBRYZMXTPI-CQSZACIVSA-N 1 2 357.414 2.232 20 30 FEEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@@H]1c1nc(N(C)C)no1 ZINC000366714459 555916329 /nfs/dbraw/zinc/91/63/29/555916329.db2.gz SOUBUBRYZMXTPI-CQSZACIVSA-N 1 2 357.414 2.232 20 30 FEEDLO Cc1n[nH]c(C)c1CCC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000514651454 561971423 /nfs/dbraw/zinc/97/14/23/561971423.db2.gz PDJZUHDUXWSWRI-UHFFFAOYSA-N 1 2 351.454 2.175 20 30 FEEDLO N#CC1(c2ccccn2)CC[NH+](CC(=O)N2CCO[C@H]3CCCC[C@H]32)CC1 ZINC000367057564 556000893 /nfs/dbraw/zinc/00/08/93/556000893.db2.gz KUNPBUFUXJBIIZ-MSOLQXFVSA-N 1 2 368.481 2.109 20 30 FEEDLO Cn1c[nH+]cc1[C@H]1C[C@@H](NC(=O)C2(c3ccc(C#N)cc3)CC2)CCO1 ZINC000514837915 561982286 /nfs/dbraw/zinc/98/22/86/561982286.db2.gz HYVWIFQKIRFWNC-FUHWJXTLSA-N 1 2 350.422 2.360 20 30 FEEDLO C#CC[C@@]1(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)CCCN1C(=O)OC(C)(C)C ZINC000367723676 556123687 /nfs/dbraw/zinc/12/36/87/556123687.db2.gz CSDHAKWZYNPAAL-VLIAUNLRSA-N 1 2 372.469 2.176 20 30 FEEDLO C#CC[C@@]1(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)CCCN1C(=O)OC(C)(C)C ZINC000367723676 556123688 /nfs/dbraw/zinc/12/36/88/556123688.db2.gz CSDHAKWZYNPAAL-VLIAUNLRSA-N 1 2 372.469 2.176 20 30 FEEDLO N#Cc1ccc(N2CCC(NC(=O)Nc3ccn4cc[nH+]c4c3)CC2)nc1 ZINC000368126677 556224900 /nfs/dbraw/zinc/22/49/00/556224900.db2.gz SQGXUROVCAHMAS-UHFFFAOYSA-N 1 2 361.409 2.391 20 30 FEEDLO C[C@@H]([NH2+]CC(=O)N[C@](C)(C#N)C1CC1)c1nc(-c2ccc(F)cc2)no1 ZINC000368323611 556278277 /nfs/dbraw/zinc/27/82/77/556278277.db2.gz HXTAGKDQFYOYOQ-ADLMAVQZSA-N 1 2 357.389 2.335 20 30 FEEDLO Cn1cc(-c2ncc(C[NH+]3CCN([C@H](C#N)c4ccccc4)CC3)cn2)cn1 ZINC000368439210 556309763 /nfs/dbraw/zinc/30/97/63/556309763.db2.gz RWZIHBCOEWMQCR-HXUWFJFHSA-N 1 2 373.464 2.260 20 30 FEEDLO CCCCOC1CC[NH+](CCS(=O)(=O)c2ccc(C#N)cn2)CC1 ZINC000515328252 562005380 /nfs/dbraw/zinc/00/53/80/562005380.db2.gz PHCAWACQYXPGGD-UHFFFAOYSA-N 1 2 351.472 2.008 20 30 FEEDLO C[N@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@@H]1CCCCNC1=O ZINC000368893926 556440811 /nfs/dbraw/zinc/44/08/11/556440811.db2.gz VACLPLGJQPKZLU-OAHLLOKOSA-N 1 2 374.510 2.428 20 30 FEEDLO C[N@@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@@H]1CCCCNC1=O ZINC000368893926 556440814 /nfs/dbraw/zinc/44/08/14/556440814.db2.gz VACLPLGJQPKZLU-OAHLLOKOSA-N 1 2 374.510 2.428 20 30 FEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCOC[C@@H]1Cc1c[nH]c2ccccc12 ZINC000369191803 556530690 /nfs/dbraw/zinc/53/06/90/556530690.db2.gz BWNIQLVLTKNFON-WMZOPIPTSA-N 1 2 368.481 2.419 20 30 FEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCOC[C@@H]1Cc1c[nH]c2ccccc12 ZINC000369191803 556530692 /nfs/dbraw/zinc/53/06/92/556530692.db2.gz BWNIQLVLTKNFON-WMZOPIPTSA-N 1 2 368.481 2.419 20 30 FEEDLO CC(C)CCN1C(=O)C[C@@H]([NH+]2CCC(C#N)(c3ccccn3)CC2)C1=O ZINC000369215223 556538213 /nfs/dbraw/zinc/53/82/13/556538213.db2.gz OAZNZVQARXNEFY-MRXNPFEDSA-N 1 2 354.454 2.112 20 30 FEEDLO Cc1sc(NC(=O)C[N@@H+]2CCCC[C@H]2Cn2ccnn2)c(C#N)c1C ZINC000369281267 556563444 /nfs/dbraw/zinc/56/34/44/556563444.db2.gz VOBIJVHNMUVHOX-AWEZNQCLSA-N 1 2 358.471 2.321 20 30 FEEDLO Cc1sc(NC(=O)C[N@H+]2CCCC[C@H]2Cn2ccnn2)c(C#N)c1C ZINC000369281267 556563447 /nfs/dbraw/zinc/56/34/47/556563447.db2.gz VOBIJVHNMUVHOX-AWEZNQCLSA-N 1 2 358.471 2.321 20 30 FEEDLO N#Cc1cnc(N2CCC3(CC2)NC(=O)C2(CCCCC2)[NH2+]3)c(Cl)c1 ZINC000369381342 556586037 /nfs/dbraw/zinc/58/60/37/556586037.db2.gz HRVDOODMQXUQAB-UHFFFAOYSA-N 1 2 359.861 2.325 20 30 FEEDLO CC(C)CO[C@@H](C)c1noc(C[NH+]2CCC(n3cnc(C#N)n3)CC2)n1 ZINC000369387961 556587185 /nfs/dbraw/zinc/58/71/85/556587185.db2.gz DNSVXASEUOGMPM-ZDUSSCGKSA-N 1 2 359.434 2.103 20 30 FEEDLO Cc1cc(CNC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)cc(C)[nH+]1 ZINC000516172650 562033877 /nfs/dbraw/zinc/03/38/77/562033877.db2.gz MSTBWFUWQUDBBZ-KRWDZBQOSA-N 1 2 351.410 2.328 20 30 FEEDLO COc1ccc(C#N)cc1C[N@@H+]1CCn2c(CC(F)(F)F)nnc2C1 ZINC000369648454 556658036 /nfs/dbraw/zinc/65/80/36/556658036.db2.gz OXBAAEDILONIRW-UHFFFAOYSA-N 1 2 351.332 2.279 20 30 FEEDLO COc1ccc(C#N)cc1C[N@H+]1CCn2c(CC(F)(F)F)nnc2C1 ZINC000369648454 556658037 /nfs/dbraw/zinc/65/80/37/556658037.db2.gz OXBAAEDILONIRW-UHFFFAOYSA-N 1 2 351.332 2.279 20 30 FEEDLO C[C@@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000370555532 556907591 /nfs/dbraw/zinc/90/75/91/556907591.db2.gz HHCHZNWKAHXQLG-WBMJQRKESA-N 1 2 356.451 2.190 20 30 FEEDLO C[C@@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000370555532 556907592 /nfs/dbraw/zinc/90/75/92/556907592.db2.gz HHCHZNWKAHXQLG-WBMJQRKESA-N 1 2 356.451 2.190 20 30 FEEDLO N#Cc1ccncc1N1CC[NH+](CCOCC(F)(F)C(F)(F)F)CC1 ZINC000516903506 562063777 /nfs/dbraw/zinc/06/37/77/562063777.db2.gz NOWGIWOEHKSDTK-UHFFFAOYSA-N 1 2 364.318 2.289 20 30 FEEDLO Cc1cc(C)n2c(C[N@@H+]3C[C@H](C#N)[C@@]4(C3)c3ccccc3NC4=O)cnc2n1 ZINC000371457034 557190238 /nfs/dbraw/zinc/19/02/38/557190238.db2.gz HXJJGFNWZQWFRR-BTYIYWSLSA-N 1 2 372.432 2.192 20 30 FEEDLO Cc1cc(C)n2c(C[N@H+]3C[C@H](C#N)[C@@]4(C3)c3ccccc3NC4=O)cnc2n1 ZINC000371457034 557190243 /nfs/dbraw/zinc/19/02/43/557190243.db2.gz HXJJGFNWZQWFRR-BTYIYWSLSA-N 1 2 372.432 2.192 20 30 FEEDLO OCC[C@@H]1CN(CC#Cc2ccccc2)CC[N@@H+]1CC#Cc1ccccc1 ZINC000517755071 562097294 /nfs/dbraw/zinc/09/72/94/562097294.db2.gz MODVPIAWHHLBMD-XMMPIXPASA-N 1 2 358.485 2.458 20 30 FEEDLO OCC[C@@H]1CN(CC#Cc2ccccc2)CC[N@H+]1CC#Cc1ccccc1 ZINC000517755071 562097295 /nfs/dbraw/zinc/09/72/95/562097295.db2.gz MODVPIAWHHLBMD-XMMPIXPASA-N 1 2 358.485 2.458 20 30 FEEDLO OCC[C@@H]1C[N@H+](CC#Cc2ccccc2)CCN1CC#Cc1ccccc1 ZINC000517755071 562097296 /nfs/dbraw/zinc/09/72/96/562097296.db2.gz MODVPIAWHHLBMD-XMMPIXPASA-N 1 2 358.485 2.458 20 30 FEEDLO OCC[C@@H]1C[N@@H+](CC#Cc2ccccc2)CCN1CC#Cc1ccccc1 ZINC000517755071 562097297 /nfs/dbraw/zinc/09/72/97/562097297.db2.gz MODVPIAWHHLBMD-XMMPIXPASA-N 1 2 358.485 2.458 20 30 FEEDLO Cc1cc(C#N)cnc1C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000518339449 562108964 /nfs/dbraw/zinc/10/89/64/562108964.db2.gz OCDCLBOXNPVYPH-UHFFFAOYSA-N 1 2 350.422 2.024 20 30 FEEDLO C=C(C)Cn1c([C@@H]2CCCO2)nnc1N1CC[NH+](Cc2ccccn2)CC1 ZINC000518697621 562116606 /nfs/dbraw/zinc/11/66/06/562116606.db2.gz WVVADXYRDDGWCI-SFHVURJKSA-N 1 2 368.485 2.423 20 30 FEEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372273400 557427330 /nfs/dbraw/zinc/42/73/30/557427330.db2.gz MFBOWXHYXJVYGV-CJNGLKHVSA-N 1 2 368.397 2.327 20 30 FEEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372273400 557427334 /nfs/dbraw/zinc/42/73/34/557427334.db2.gz MFBOWXHYXJVYGV-CJNGLKHVSA-N 1 2 368.397 2.327 20 30 FEEDLO Cc1cc(NC(=O)N(C)CCCn2cc[nH+]c2)nn1-c1cccc(C#N)c1 ZINC000372362823 557450350 /nfs/dbraw/zinc/45/03/50/557450350.db2.gz AAYMREBPWNYGIF-UHFFFAOYSA-N 1 2 363.425 2.803 20 30 FEEDLO Cc1noc([C@@H]([NH2+][C@@H](C)C(=O)Nc2ccccc2C#N)C2CCOCC2)n1 ZINC000372388922 557457311 /nfs/dbraw/zinc/45/73/11/557457311.db2.gz GJHZNEVWMULANF-SJCJKPOMSA-N 1 2 369.425 2.334 20 30 FEEDLO C=CCc1ccc(OCC(=O)N[C@H]2CCc3[nH+]c(C)cn3C2)c(OC)c1 ZINC000372550174 557501543 /nfs/dbraw/zinc/50/15/43/557501543.db2.gz LJLBVIAMWJEVEC-INIZCTEOSA-N 1 2 355.438 2.439 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@H]1CNS(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000519519802 562133076 /nfs/dbraw/zinc/13/30/76/562133076.db2.gz JAHWDHWMVRRRPG-YJBOKZPZSA-N 1 2 361.467 2.191 20 30 FEEDLO CN(C)c1ncnc2c1C[N@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)CC2 ZINC000373125972 557634288 /nfs/dbraw/zinc/63/42/88/557634288.db2.gz OZFLIRBGPQDDFL-UHFFFAOYSA-N 1 2 373.464 2.373 20 30 FEEDLO CN(C)c1ncnc2c1C[N@@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)CC2 ZINC000373125972 557634289 /nfs/dbraw/zinc/63/42/89/557634289.db2.gz OZFLIRBGPQDDFL-UHFFFAOYSA-N 1 2 373.464 2.373 20 30 FEEDLO CCCN1C(=O)CC[C@@H](C(=O)N(CC)C[C@@H](C)C#N)[C@@H]1c1c[nH+]cn1C ZINC000373392376 557685597 /nfs/dbraw/zinc/68/55/97/557685597.db2.gz JFBGZFMPXGZNPT-HDMKZQKVSA-N 1 2 359.474 2.118 20 30 FEEDLO C[C@@H]1C[N@@H+](CCN(C)C(=O)[C@@]2(C#N)CCc3ccccc3C2)C[C@H](C)O1 ZINC000373843045 557771574 /nfs/dbraw/zinc/77/15/74/557771574.db2.gz TWNAWYXEURBSJZ-FVJLSDCUSA-N 1 2 355.482 2.253 20 30 FEEDLO C[C@@H]1C[N@H+](CCN(C)C(=O)[C@@]2(C#N)CCc3ccccc3C2)C[C@H](C)O1 ZINC000373843045 557771575 /nfs/dbraw/zinc/77/15/75/557771575.db2.gz TWNAWYXEURBSJZ-FVJLSDCUSA-N 1 2 355.482 2.253 20 30 FEEDLO CN(C)C(=O)[C@H](c1ccccc1)[N@@H+]1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000374368599 557873078 /nfs/dbraw/zinc/87/30/78/557873078.db2.gz VNORVVBMLGCXRZ-GTCCEBARSA-N 1 2 374.444 2.161 20 30 FEEDLO CN(C)C(=O)[C@H](c1ccccc1)[N@H+]1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000374368599 557873079 /nfs/dbraw/zinc/87/30/79/557873079.db2.gz VNORVVBMLGCXRZ-GTCCEBARSA-N 1 2 374.444 2.161 20 30 FEEDLO N#Cc1ccc(CSCC(=O)N2CC[NH2+][C@@H](c3cccnc3)C2)cc1 ZINC000374374461 557873968 /nfs/dbraw/zinc/87/39/68/557873968.db2.gz WHRKRXODLZFGQU-GOSISDBHSA-N 1 2 352.463 2.360 20 30 FEEDLO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H]1C(=O)NCC1CCOCC1 ZINC000374388361 557877131 /nfs/dbraw/zinc/87/71/31/557877131.db2.gz KNIZEDQIPCJEOF-GOSISDBHSA-N 1 2 357.454 2.074 20 30 FEEDLO COc1cc(C#N)ccc1C[N@H+]1CCC[C@@H]1C(=O)NCC1CCOCC1 ZINC000374388361 557877133 /nfs/dbraw/zinc/87/71/33/557877133.db2.gz KNIZEDQIPCJEOF-GOSISDBHSA-N 1 2 357.454 2.074 20 30 FEEDLO CCC[N@H+](Cc1ncc(-c2ccc(C#N)cc2)o1)[C@@H]1CC(=O)N(C)C1=O ZINC000374570710 557901095 /nfs/dbraw/zinc/90/10/95/557901095.db2.gz CYXGNNDMVNNIAP-OAHLLOKOSA-N 1 2 352.394 2.183 20 30 FEEDLO CCC[N@@H+](Cc1ncc(-c2ccc(C#N)cc2)o1)[C@@H]1CC(=O)N(C)C1=O ZINC000374570710 557901096 /nfs/dbraw/zinc/90/10/96/557901096.db2.gz CYXGNNDMVNNIAP-OAHLLOKOSA-N 1 2 352.394 2.183 20 30 FEEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@H](c2nc(N(C)C)no2)C1 ZINC000374636903 557910270 /nfs/dbraw/zinc/91/02/70/557910270.db2.gz OZCSKMWPDGYLNI-ZFWWWQNUSA-N 1 2 368.441 2.214 20 30 FEEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@H](c2nc(N(C)C)no2)C1 ZINC000374636903 557910272 /nfs/dbraw/zinc/91/02/72/557910272.db2.gz OZCSKMWPDGYLNI-ZFWWWQNUSA-N 1 2 368.441 2.214 20 30 FEEDLO CS(=O)(=O)c1ccc2c(c1)CC[N@@H+](CCOc1ccc(C#N)cc1)CC2 ZINC000374770148 557928707 /nfs/dbraw/zinc/92/87/07/557928707.db2.gz WNYBWTJVRAPFLY-UHFFFAOYSA-N 1 2 370.474 2.441 20 30 FEEDLO CS(=O)(=O)c1ccc2c(c1)CC[N@H+](CCOc1ccc(C#N)cc1)CC2 ZINC000374770148 557928708 /nfs/dbraw/zinc/92/87/08/557928708.db2.gz WNYBWTJVRAPFLY-UHFFFAOYSA-N 1 2 370.474 2.441 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@H](O)c3ccccc3C2)cc1 ZINC000374807976 557934474 /nfs/dbraw/zinc/93/44/74/557934474.db2.gz QOWAKXHHIOMUKL-IBGZPJMESA-N 1 2 356.447 2.271 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@H](O)c3ccccc3C2)cc1 ZINC000374807976 557934475 /nfs/dbraw/zinc/93/44/75/557934475.db2.gz QOWAKXHHIOMUKL-IBGZPJMESA-N 1 2 356.447 2.271 20 30 FEEDLO O=S1(=O)CC[C@H]2C[N@@H+](CC#Cc3ccc(OC(F)(F)F)cc3)C[C@H]21 ZINC000375759399 558078327 /nfs/dbraw/zinc/07/83/27/558078327.db2.gz CHFWQGWCXPZCLF-DZGCQCFKSA-N 1 2 359.369 2.056 20 30 FEEDLO O=S1(=O)CC[C@H]2C[N@H+](CC#Cc3ccc(OC(F)(F)F)cc3)C[C@H]21 ZINC000375759399 558078329 /nfs/dbraw/zinc/07/83/29/558078329.db2.gz CHFWQGWCXPZCLF-DZGCQCFKSA-N 1 2 359.369 2.056 20 30 FEEDLO C#CCCCS(=O)(=O)N(C)C1CC[NH+](c2ccc(OC)cc2)CC1 ZINC000376278859 558151553 /nfs/dbraw/zinc/15/15/53/558151553.db2.gz OYVGMBHMQNYEKU-UHFFFAOYSA-N 1 2 350.484 2.339 20 30 FEEDLO COCCOc1ccc(C#N)cc1NC(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000376356066 558162193 /nfs/dbraw/zinc/16/21/93/558162193.db2.gz VPAPAWXMVXQXJE-UHFFFAOYSA-N 1 2 355.398 2.136 20 30 FEEDLO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCN(c3ccncc3C#N)CC2)C1 ZINC000377135573 558273721 /nfs/dbraw/zinc/27/37/21/558273721.db2.gz DUQQCNJOMKICID-INIZCTEOSA-N 1 2 357.458 2.085 20 30 FEEDLO Cc1nsc(N2CCC[C@H](c3n[nH]cc3C[NH+]3CCOCC3)C2)c1C#N ZINC000377157987 558278415 /nfs/dbraw/zinc/27/84/15/558278415.db2.gz NHXNZKGUEBSMKY-AWEZNQCLSA-N 1 2 372.498 2.263 20 30 FEEDLO CC[N@@H+]1CCO[C@H](c2noc([C@@H]3CCN(c4ccc(C#N)cc4F)C3)n2)C1 ZINC000377518831 558356301 /nfs/dbraw/zinc/35/63/01/558356301.db2.gz ZJOJHUBPVYAFTK-PBHICJAKSA-N 1 2 371.416 2.467 20 30 FEEDLO CC[N@H+]1CCO[C@H](c2noc([C@@H]3CCN(c4ccc(C#N)cc4F)C3)n2)C1 ZINC000377518831 558356303 /nfs/dbraw/zinc/35/63/03/558356303.db2.gz ZJOJHUBPVYAFTK-PBHICJAKSA-N 1 2 371.416 2.467 20 30 FEEDLO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCc2ccccc2[C@H]1C(N)=O ZINC000377585015 558371323 /nfs/dbraw/zinc/37/13/23/558371323.db2.gz UPOCRDCOSPULPR-INIZCTEOSA-N 1 2 354.435 2.033 20 30 FEEDLO N#Cc1ccsc1NC(=O)CC[N@H+]1CCc2ccccc2[C@H]1C(N)=O ZINC000377585015 558371325 /nfs/dbraw/zinc/37/13/25/558371325.db2.gz UPOCRDCOSPULPR-INIZCTEOSA-N 1 2 354.435 2.033 20 30 FEEDLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000378014786 558463513 /nfs/dbraw/zinc/46/35/13/558463513.db2.gz DIWKJGQJSHPIRB-CRAIPNDOSA-N 1 2 357.454 2.037 20 30 FEEDLO Cc1ccc(CCNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cn1 ZINC000523578174 562215502 /nfs/dbraw/zinc/21/55/02/562215502.db2.gz AXXOHKRHKDSFMV-UHFFFAOYSA-N 1 2 363.465 2.332 20 30 FEEDLO C[C@@H]1[C@@H](C)[N@H+](C)CCN1S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000407957160 558633312 /nfs/dbraw/zinc/63/33/12/558633312.db2.gz YALXDUHMGDRPHH-GHMZBOCLSA-N 1 2 361.389 2.290 20 30 FEEDLO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000407957160 558633313 /nfs/dbraw/zinc/63/33/13/558633313.db2.gz YALXDUHMGDRPHH-GHMZBOCLSA-N 1 2 361.389 2.290 20 30 FEEDLO C[C@@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000407957166 558633440 /nfs/dbraw/zinc/63/34/40/558633440.db2.gz YALXDUHMGDRPHH-WDEREUQCSA-N 1 2 361.389 2.290 20 30 FEEDLO C[C@@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000407957166 558633443 /nfs/dbraw/zinc/63/34/43/558633443.db2.gz YALXDUHMGDRPHH-WDEREUQCSA-N 1 2 361.389 2.290 20 30 FEEDLO CC1(C#N)CC[NH+](CC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 ZINC000408157825 558652337 /nfs/dbraw/zinc/65/23/37/558652337.db2.gz GTMWZRBJULWZCK-UHFFFAOYSA-N 1 2 358.486 2.407 20 30 FEEDLO N#Cc1nnc2ccccc2c1N1CC[NH+](Cc2cn3ccccc3n2)CC1 ZINC000524617495 562231120 /nfs/dbraw/zinc/23/11/20/562231120.db2.gz ZPGPCKWDWMMLCX-UHFFFAOYSA-N 1 2 369.432 2.471 20 30 FEEDLO N#CC1(NC(=O)C[NH+]2CCN(c3ccc(C(F)(F)F)cc3)CC2)CCC1 ZINC000525885739 562258414 /nfs/dbraw/zinc/25/84/14/562258414.db2.gz OWFJCZWBBCKJMJ-UHFFFAOYSA-N 1 2 366.387 2.390 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CC[C@]2(C1)CC(=O)c1ccccc1O2 ZINC000411977763 558998729 /nfs/dbraw/zinc/99/87/29/558998729.db2.gz GMUZIMJZRVLFNV-WOJBJXKFSA-N 1 2 355.438 2.151 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CC[C@]2(C1)CC(=O)c1ccccc1O2 ZINC000411977763 558998730 /nfs/dbraw/zinc/99/87/30/558998730.db2.gz GMUZIMJZRVLFNV-WOJBJXKFSA-N 1 2 355.438 2.151 20 30 FEEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+](C)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000526055911 562265366 /nfs/dbraw/zinc/26/53/66/562265366.db2.gz IFAWEQOHFBWIRC-CJNGLKHVSA-N 1 2 374.872 2.328 20 30 FEEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000526055911 562265367 /nfs/dbraw/zinc/26/53/67/562265367.db2.gz IFAWEQOHFBWIRC-CJNGLKHVSA-N 1 2 374.872 2.328 20 30 FEEDLO Cc1cc(NC(=O)c2cccnc2)ccc1OC[C@@H](O)C[N@H+](C)CCC#N ZINC000414121103 559150215 /nfs/dbraw/zinc/15/02/15/559150215.db2.gz FZEXOGXEKAPMDE-SFHVURJKSA-N 1 2 368.437 2.228 20 30 FEEDLO Cc1cc(NC(=O)c2cccnc2)ccc1OC[C@@H](O)C[N@@H+](C)CCC#N ZINC000414121103 559150216 /nfs/dbraw/zinc/15/02/16/559150216.db2.gz FZEXOGXEKAPMDE-SFHVURJKSA-N 1 2 368.437 2.228 20 30 FEEDLO N#CC1(NC(=O)C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CCC1 ZINC000527136098 562277549 /nfs/dbraw/zinc/27/75/49/562277549.db2.gz MBBQHUGHMUTEJF-UHFFFAOYSA-N 1 2 358.398 2.000 20 30 FEEDLO CC(=O)N[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)C1 ZINC000420946952 559513593 /nfs/dbraw/zinc/51/35/93/559513593.db2.gz CGMIQLFYEJSBNH-HIFRSBDPSA-N 1 2 360.483 2.087 20 30 FEEDLO CC(=O)N[C@H]1CC[N@H+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)C1 ZINC000420946952 559513594 /nfs/dbraw/zinc/51/35/94/559513594.db2.gz CGMIQLFYEJSBNH-HIFRSBDPSA-N 1 2 360.483 2.087 20 30 FEEDLO Cc1cc(CNC(=O)[C@@H]2CCC(=O)N2Cc2cccc(C#N)c2)cc(C)[nH+]1 ZINC000421575416 559545566 /nfs/dbraw/zinc/54/55/66/559545566.db2.gz KDWQFDFHNAQUMQ-IBGZPJMESA-N 1 2 362.433 2.378 20 30 FEEDLO Cc1cc(N[C@@H]2CCN([C@H](C(=O)OC(C)(C)C)C(C)C)C2=O)c(C#N)c[nH+]1 ZINC000425260413 559693861 /nfs/dbraw/zinc/69/38/61/559693861.db2.gz XDDYKNPTCRCHQV-WBVHZDCISA-N 1 2 372.469 2.063 20 30 FEEDLO C[C@@H]1CN(c2ccc(CNC(=O)N[C@@H]3CC[C@H](C#N)C3)c[nH+]2)C[C@@H](C)O1 ZINC000425413343 559701064 /nfs/dbraw/zinc/70/10/64/559701064.db2.gz CGYMPIYFFHZWCC-PNBKFKSVSA-N 1 2 357.458 2.187 20 30 FEEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000425556078 559709708 /nfs/dbraw/zinc/70/97/08/559709708.db2.gz ZKYIWYYOTJNSHL-UONOGXRCSA-N 1 2 370.482 2.484 20 30 FEEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000425556078 559709709 /nfs/dbraw/zinc/70/97/09/559709709.db2.gz ZKYIWYYOTJNSHL-UONOGXRCSA-N 1 2 370.482 2.484 20 30 FEEDLO C=C[C@H]1CCCCN1C(=O)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000427683549 559760267 /nfs/dbraw/zinc/76/02/67/559760267.db2.gz WFMYKGBKYHKCAU-KRWDZBQOSA-N 1 2 357.454 2.024 20 30 FEEDLO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(Cc2cccc(F)c2C#N)CC1 ZINC000428243989 559772280 /nfs/dbraw/zinc/77/22/80/559772280.db2.gz CLLFDHDGUHWKBA-OAHLLOKOSA-N 1 2 358.461 2.262 20 30 FEEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCC2(CC1)CCS(=O)(=O)CC2 ZINC000428698906 559781298 /nfs/dbraw/zinc/78/12/98/559781298.db2.gz GAKSUCREESBBCF-MRXNPFEDSA-N 1 2 356.532 2.090 20 30 FEEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](CC(=O)NCc3ccc(Cl)cc3)C2)nc1 ZINC000428781945 559783052 /nfs/dbraw/zinc/78/30/52/559783052.db2.gz PDMBZKQFXSLHBP-KRWDZBQOSA-N 1 2 370.840 2.376 20 30 FEEDLO N#Cc1ccc(O[C@H]2CC[N@H+](CC(=O)NCc3ccc(Cl)cc3)C2)nc1 ZINC000428781945 559783053 /nfs/dbraw/zinc/78/30/53/559783053.db2.gz PDMBZKQFXSLHBP-KRWDZBQOSA-N 1 2 370.840 2.376 20 30 FEEDLO CCC[N@H+](CC(N)=O)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 ZINC000429132240 559791392 /nfs/dbraw/zinc/79/13/92/559791392.db2.gz YXIYALWLBAZCAD-UHFFFAOYSA-N 1 2 359.474 2.228 20 30 FEEDLO CCC[N@@H+](CC(N)=O)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 ZINC000429132240 559791393 /nfs/dbraw/zinc/79/13/93/559791393.db2.gz YXIYALWLBAZCAD-UHFFFAOYSA-N 1 2 359.474 2.228 20 30 FEEDLO COC(=O)C[C@@](C)([NH2+]CC(=O)Nc1sccc1C#N)c1ccccn1 ZINC000429674601 559803721 /nfs/dbraw/zinc/80/37/21/559803721.db2.gz KSLQJQJBCCCMDJ-QGZVFWFLSA-N 1 2 358.423 2.021 20 30 FEEDLO C=CCc1cc(C[NH+]2CCC(CS(C)(=O)=O)CC2)cc(OC)c1O ZINC000430125475 559813736 /nfs/dbraw/zinc/81/37/36/559813736.db2.gz UFNFMHFLCPKBKW-UHFFFAOYSA-N 1 2 353.484 2.386 20 30 FEEDLO CCN(CCC#N)C(=O)C[N@H+](CCc1ccccn1)Cc1cccnc1 ZINC000430330656 559817859 /nfs/dbraw/zinc/81/78/59/559817859.db2.gz UDEPZGABCQKRKC-UHFFFAOYSA-N 1 2 351.454 2.283 20 30 FEEDLO CCN(CCC#N)C(=O)C[N@@H+](CCc1ccccn1)Cc1cccnc1 ZINC000430330656 559817860 /nfs/dbraw/zinc/81/78/60/559817860.db2.gz UDEPZGABCQKRKC-UHFFFAOYSA-N 1 2 351.454 2.283 20 30 FEEDLO Cc1ncc(S(=O)(=O)N(C)[C@H](c2[nH]cc[nH+]2)c2ccccc2)cc1C#N ZINC000432271970 559855239 /nfs/dbraw/zinc/85/52/39/559855239.db2.gz SUFNOFOXKWIFPU-KRWDZBQOSA-N 1 2 367.434 2.395 20 30 FEEDLO C=CCN(CC=C)C(=O)C[NH2+][C@@H](c1ccc(C)cc1)[C@H](C)S(C)(=O)=O ZINC000435902886 559932024 /nfs/dbraw/zinc/93/20/24/559932024.db2.gz QPHJGQLPDFOOCY-QFBILLFUSA-N 1 2 364.511 2.259 20 30 FEEDLO C[N@H+](CC(=O)NC1(C#N)CCC1)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000527384996 562287310 /nfs/dbraw/zinc/28/73/10/562287310.db2.gz QBAALZMXHYIRQM-UHFFFAOYSA-N 1 2 367.352 2.011 20 30 FEEDLO C[N@@H+](CC(=O)NC1(C#N)CCC1)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000527384996 562287311 /nfs/dbraw/zinc/28/73/11/562287311.db2.gz QBAALZMXHYIRQM-UHFFFAOYSA-N 1 2 367.352 2.011 20 30 FEEDLO COc1cc[nH+]cc1NC(=O)C(=O)Nc1cccc(OCCCC#N)c1 ZINC000437064518 559959942 /nfs/dbraw/zinc/95/99/42/559959942.db2.gz PDQFHWUJDCESRO-UHFFFAOYSA-N 1 2 354.366 2.350 20 30 FEEDLO N#Cc1ccc(C[N@H+](C2CC2)[C@H]2CCS(=O)(=O)C2)c(OC(F)F)c1 ZINC000437147046 559960895 /nfs/dbraw/zinc/96/08/95/559960895.db2.gz LQPIYUUWUAPRKR-AWEZNQCLSA-N 1 2 356.394 2.311 20 30 FEEDLO N#Cc1ccc(C[N@@H+](C2CC2)[C@H]2CCS(=O)(=O)C2)c(OC(F)F)c1 ZINC000437147046 559960896 /nfs/dbraw/zinc/96/08/96/559960896.db2.gz LQPIYUUWUAPRKR-AWEZNQCLSA-N 1 2 356.394 2.311 20 30 FEEDLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)c2cc(C#N)oc2C)CC1 ZINC000437188476 559961698 /nfs/dbraw/zinc/96/16/98/559961698.db2.gz OHNUKTFFKMYWPL-UHFFFAOYSA-N 1 2 366.421 2.376 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000438001407 559972828 /nfs/dbraw/zinc/97/28/28/559972828.db2.gz ITGKGFXLGRSLNI-ICSRJNTNSA-N 1 2 373.497 2.374 20 30 FEEDLO CCCNC(=O)C[C@H](C(N)=O)[N@H+](CCC)Cc1ccc(C#N)cc1Cl ZINC000439445625 559994037 /nfs/dbraw/zinc/99/40/37/559994037.db2.gz VYQFHJIOMFXGHI-MRXNPFEDSA-N 1 2 364.877 2.194 20 30 FEEDLO CCCNC(=O)C[C@H](C(N)=O)[N@@H+](CCC)Cc1ccc(C#N)cc1Cl ZINC000439445625 559994038 /nfs/dbraw/zinc/99/40/38/559994038.db2.gz VYQFHJIOMFXGHI-MRXNPFEDSA-N 1 2 364.877 2.194 20 30 FEEDLO CO[C@H]1C[C@@H](NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1(C)C ZINC000440242093 560007312 /nfs/dbraw/zinc/00/73/12/560007312.db2.gz MNGCBLOTRJNGLP-MSOLQXFVSA-N 1 2 356.470 2.199 20 30 FEEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000440922814 560019543 /nfs/dbraw/zinc/01/95/43/560019543.db2.gz ZIJFCPFPIWFFHB-ZBFHGGJFSA-N 1 2 355.438 2.318 20 30 FEEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000440922814 560019544 /nfs/dbraw/zinc/01/95/44/560019544.db2.gz ZIJFCPFPIWFFHB-ZBFHGGJFSA-N 1 2 355.438 2.318 20 30 FEEDLO C[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)CCN1c1nccn2cnnc12 ZINC000441049668 560022508 /nfs/dbraw/zinc/02/25/08/560022508.db2.gz JMQJSEVTZXBPJN-OAHLLOKOSA-N 1 2 366.856 2.340 20 30 FEEDLO C[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)CCN1c1nccn2cnnc12 ZINC000441049668 560022509 /nfs/dbraw/zinc/02/25/09/560022509.db2.gz JMQJSEVTZXBPJN-OAHLLOKOSA-N 1 2 366.856 2.340 20 30 FEEDLO N#Cc1cccc(-c2nnc(CN3CC[NH+](Cc4ccccn4)CC3)o2)c1 ZINC000441258343 560027325 /nfs/dbraw/zinc/02/73/25/560027325.db2.gz JSSVETAOJQIPAI-UHFFFAOYSA-N 1 2 360.421 2.321 20 30 FEEDLO CCOC(=O)C[N@@H+]1CCCN(c2ccc(C(F)(F)F)c(C#N)n2)CC1 ZINC000443507176 560085829 /nfs/dbraw/zinc/08/58/29/560085829.db2.gz FUHLOOBXRLGAIR-UHFFFAOYSA-N 1 2 356.348 2.047 20 30 FEEDLO CCOC(=O)C[N@H+]1CCCN(c2ccc(C(F)(F)F)c(C#N)n2)CC1 ZINC000443507176 560085830 /nfs/dbraw/zinc/08/58/30/560085830.db2.gz FUHLOOBXRLGAIR-UHFFFAOYSA-N 1 2 356.348 2.047 20 30 FEEDLO Cc1cc(S(=O)(=O)N2CC[NH+](CCc3ccccc3)CC2)ccc1C#N ZINC000443948879 560097189 /nfs/dbraw/zinc/09/71/89/560097189.db2.gz RNODTUBOCXQHDM-UHFFFAOYSA-N 1 2 369.490 2.416 20 30 FEEDLO CCC[C@@]1(C(=O)OCC)CCC[N@@H+]1CC(=O)NCc1cccc(C#N)c1 ZINC000444794330 560120929 /nfs/dbraw/zinc/12/09/29/560120929.db2.gz VFTBTSPTVZQWCF-FQEVSTJZSA-N 1 2 357.454 2.372 20 30 FEEDLO CCC[C@@]1(C(=O)OCC)CCC[N@H+]1CC(=O)NCc1cccc(C#N)c1 ZINC000444794330 560120930 /nfs/dbraw/zinc/12/09/30/560120930.db2.gz VFTBTSPTVZQWCF-FQEVSTJZSA-N 1 2 357.454 2.372 20 30 FEEDLO Cc1[nH]c(C#N)cc1C(=O)NC[C@@H](c1cccs1)[N@H+]1CCO[C@H](C)C1 ZINC000450040400 560248936 /nfs/dbraw/zinc/24/89/36/560248936.db2.gz HNUVRWKMXULANN-WBMJQRKESA-N 1 2 358.467 2.448 20 30 FEEDLO Cc1[nH]c(C#N)cc1C(=O)NC[C@@H](c1cccs1)[N@@H+]1CCO[C@H](C)C1 ZINC000450040400 560248937 /nfs/dbraw/zinc/24/89/37/560248937.db2.gz HNUVRWKMXULANN-WBMJQRKESA-N 1 2 358.467 2.448 20 30 FEEDLO Cn1c(C#N)ccc1C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000450315372 560258218 /nfs/dbraw/zinc/25/82/18/560258218.db2.gz CVMPQLNJKZXHAY-ZWKOTPCHSA-N 1 2 372.856 2.352 20 30 FEEDLO Cn1c(C#N)ccc1C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000450315372 560258219 /nfs/dbraw/zinc/25/82/19/560258219.db2.gz CVMPQLNJKZXHAY-ZWKOTPCHSA-N 1 2 372.856 2.352 20 30 FEEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000450911307 560278015 /nfs/dbraw/zinc/27/80/15/560278015.db2.gz WQZDNRMRBRDJJT-JKSUJKDBSA-N 1 2 359.426 2.123 20 30 FEEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000450911307 560278016 /nfs/dbraw/zinc/27/80/16/560278016.db2.gz WQZDNRMRBRDJJT-JKSUJKDBSA-N 1 2 359.426 2.123 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@@H]1C[C@H](F)C[N@@H+]1Cc1scnc1C ZINC000450989467 560281406 /nfs/dbraw/zinc/28/14/06/560281406.db2.gz FTBYKDBULBYFIQ-JONQDZQNSA-N 1 2 367.490 2.413 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@@H]1C[C@H](F)C[N@H+]1Cc1scnc1C ZINC000450989467 560281407 /nfs/dbraw/zinc/28/14/07/560281407.db2.gz FTBYKDBULBYFIQ-JONQDZQNSA-N 1 2 367.490 2.413 20 30 FEEDLO Cn1cc[nH+]c1[C@H](NS(=O)(=O)CC1(CC#N)CC1)c1ccc(F)cc1 ZINC000451005413 560281995 /nfs/dbraw/zinc/28/19/95/560281995.db2.gz PGCWZJQRIDCOKG-OAHLLOKOSA-N 1 2 362.430 2.262 20 30 FEEDLO N#CC1(NC(=O)C[N@@H+]2C[C@H](c3ccccc3)[C@@](F)(CO)C2)CCCCC1 ZINC000451259008 560296567 /nfs/dbraw/zinc/29/65/67/560296567.db2.gz HIUCVVYNACKOMQ-XLIONFOSSA-N 1 2 359.445 2.129 20 30 FEEDLO N#CC1(NC(=O)C[N@H+]2C[C@H](c3ccccc3)[C@@](F)(CO)C2)CCCCC1 ZINC000451259008 560296568 /nfs/dbraw/zinc/29/65/68/560296568.db2.gz HIUCVVYNACKOMQ-XLIONFOSSA-N 1 2 359.445 2.129 20 30 FEEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CC3(CCC3)[C@H]2c2ccco2)CC1 ZINC000451862813 560333177 /nfs/dbraw/zinc/33/31/77/560333177.db2.gz VRQRSWYXDKEMMG-FXAWDEMLSA-N 1 2 370.497 2.499 20 30 FEEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CC3(CCC3)[C@H]2c2ccco2)CC1 ZINC000451862813 560333178 /nfs/dbraw/zinc/33/31/78/560333178.db2.gz VRQRSWYXDKEMMG-FXAWDEMLSA-N 1 2 370.497 2.499 20 30 FEEDLO C[N@@H+]1CCO[C@H](CN(CC2CC2)C(=O)Nc2cnc(C#N)c(Cl)c2)C1 ZINC000455751672 560493781 /nfs/dbraw/zinc/49/37/81/560493781.db2.gz AWYRCENZZIHWFI-AWEZNQCLSA-N 1 2 363.849 2.181 20 30 FEEDLO C[N@H+]1CCO[C@H](CN(CC2CC2)C(=O)Nc2cnc(C#N)c(Cl)c2)C1 ZINC000455751672 560493782 /nfs/dbraw/zinc/49/37/82/560493782.db2.gz AWYRCENZZIHWFI-AWEZNQCLSA-N 1 2 363.849 2.181 20 30 FEEDLO CN1CC[N@H+](C)[C@@H](CNC(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)C1 ZINC000455789009 560494740 /nfs/dbraw/zinc/49/47/40/560494740.db2.gz GUNCYCYTOSTBDV-INIZCTEOSA-N 1 2 359.474 2.103 20 30 FEEDLO CN1CC[N@@H+](C)[C@@H](CNC(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)C1 ZINC000455789009 560494741 /nfs/dbraw/zinc/49/47/41/560494741.db2.gz GUNCYCYTOSTBDV-INIZCTEOSA-N 1 2 359.474 2.103 20 30 FEEDLO N#Cc1ccc(CNC(=O)c2ccccc2C[NH+]2CCOCC2)cc1F ZINC000456846854 560534412 /nfs/dbraw/zinc/53/44/12/560534412.db2.gz VIOAJDVXTVVGIC-UHFFFAOYSA-N 1 2 353.397 2.460 20 30 FEEDLO N#Cc1ccccc1COc1cccc(C[NH+]2CC(N3CCNC3=O)C2)c1 ZINC000459554075 560693737 /nfs/dbraw/zinc/69/37/37/560693737.db2.gz ZUWPYUJKKBZQEW-UHFFFAOYSA-N 1 2 362.433 2.347 20 30 FEEDLO COCC[N@H+](CC(=O)Nc1sccc1C#N)Cc1c(C)nn(C)c1C ZINC000459574637 560694962 /nfs/dbraw/zinc/69/49/62/560694962.db2.gz TWBRUNWOKSMONJ-UHFFFAOYSA-N 1 2 361.471 2.057 20 30 FEEDLO COCC[N@@H+](CC(=O)Nc1sccc1C#N)Cc1c(C)nn(C)c1C ZINC000459574637 560694963 /nfs/dbraw/zinc/69/49/63/560694963.db2.gz TWBRUNWOKSMONJ-UHFFFAOYSA-N 1 2 361.471 2.057 20 30 FEEDLO COC(=O)[C@@H]1c2ccccc2CC[N@H+]1C[C@H](O)COc1ccc(C#N)cc1 ZINC000464831083 560852592 /nfs/dbraw/zinc/85/25/92/560852592.db2.gz RKNBYXJHUFFVOD-PXNSSMCTSA-N 1 2 366.417 2.070 20 30 FEEDLO COC(=O)[C@@H]1c2ccccc2CC[N@@H+]1C[C@H](O)COc1ccc(C#N)cc1 ZINC000464831083 560852593 /nfs/dbraw/zinc/85/25/93/560852593.db2.gz RKNBYXJHUFFVOD-PXNSSMCTSA-N 1 2 366.417 2.070 20 30 FEEDLO COC(=O)[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)[C@H]1C ZINC000469996900 560971202 /nfs/dbraw/zinc/97/12/02/560971202.db2.gz SOMJCUHQMKJZRD-QJPTWQEYSA-N 1 2 361.467 2.319 20 30 FEEDLO COC(=O)[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)[C@H]1C ZINC000469996900 560971203 /nfs/dbraw/zinc/97/12/03/560971203.db2.gz SOMJCUHQMKJZRD-QJPTWQEYSA-N 1 2 361.467 2.319 20 30 FEEDLO CC[C@H](NC(=O)CCc1c(C)nc2c(C#N)cnn2c1C)c1[nH]cc[nH+]1 ZINC000470700890 560987681 /nfs/dbraw/zinc/98/76/81/560987681.db2.gz XZUXFJRUGHTSAF-HNNXBMFYSA-N 1 2 351.414 2.141 20 30 FEEDLO Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)NCCNc3cccc[nH+]3)C2)n1 ZINC000472296322 561023489 /nfs/dbraw/zinc/02/34/89/561023489.db2.gz JCDCXICZMPCLRI-QGZVFWFLSA-N 1 2 364.453 2.101 20 30 FEEDLO C=CCC[C@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc(CCC)cc2)CC1 ZINC000472765800 561034857 /nfs/dbraw/zinc/03/48/57/561034857.db2.gz GHCWLCQGIUZZSD-SFHVURJKSA-N 1 2 366.527 2.273 20 30 FEEDLO C=CCn1cccc1C(=O)N(C)C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000473094911 561041962 /nfs/dbraw/zinc/04/19/62/561041962.db2.gz IFARPWNCBQKPHE-HOTGVXAUSA-N 1 2 359.449 2.092 20 30 FEEDLO N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000473571585 561052887 /nfs/dbraw/zinc/05/28/87/561052887.db2.gz UQSZNPRNGAJICZ-KRWDZBQOSA-N 1 2 357.845 2.336 20 30 FEEDLO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCO[C@H](c2cccc(O)c2)C1 ZINC000528403305 562327271 /nfs/dbraw/zinc/32/72/71/562327271.db2.gz CPDSETXTXIDVGF-QUCCMNQESA-N 1 2 354.406 2.077 20 30 FEEDLO N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCO[C@H](c2cccc(O)c2)C1 ZINC000528403305 562327272 /nfs/dbraw/zinc/32/72/72/562327272.db2.gz CPDSETXTXIDVGF-QUCCMNQESA-N 1 2 354.406 2.077 20 30 FEEDLO CC1(C)C[N@H+](C[C@H](O)COc2ccccc2C#N)C[C@@H](C(F)(F)F)O1 ZINC000528511651 562333427 /nfs/dbraw/zinc/33/34/27/562333427.db2.gz GGVUGVNYKDHFKX-ZFWWWQNUSA-N 1 2 358.360 2.340 20 30 FEEDLO CC1(C)C[N@@H+](C[C@H](O)COc2ccccc2C#N)C[C@@H](C(F)(F)F)O1 ZINC000528511651 562333428 /nfs/dbraw/zinc/33/34/28/562333428.db2.gz GGVUGVNYKDHFKX-ZFWWWQNUSA-N 1 2 358.360 2.340 20 30 FEEDLO C[N@@H+]1CC[C@H](NC(=O)Cc2ccc(C#N)nc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000528930601 562353404 /nfs/dbraw/zinc/35/34/04/562353404.db2.gz INHWYVYQFAFOIW-HKUYNNGSSA-N 1 2 356.376 2.336 20 30 FEEDLO C[N@H+]1CC[C@H](NC(=O)Cc2ccc(C#N)nc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000528930601 562353405 /nfs/dbraw/zinc/35/34/05/562353405.db2.gz INHWYVYQFAFOIW-HKUYNNGSSA-N 1 2 356.376 2.336 20 30 FEEDLO COCc1ccc(NC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)cc1C#N ZINC000529207516 562364786 /nfs/dbraw/zinc/36/47/86/562364786.db2.gz UJCIIFZGKFSWRS-KBXCAEBGSA-N 1 2 358.442 2.032 20 30 FEEDLO COCc1ccc(NC(=O)N(CC2CC2)C[C@@H]2C[N@H+](C)CCO2)cc1C#N ZINC000529213342 562365118 /nfs/dbraw/zinc/36/51/18/562365118.db2.gz QBPJRTNWNVKWGG-IBGZPJMESA-N 1 2 372.469 2.279 20 30 FEEDLO COCc1ccc(NC(=O)N(CC2CC2)C[C@@H]2C[N@@H+](C)CCO2)cc1C#N ZINC000529213342 562365119 /nfs/dbraw/zinc/36/51/19/562365119.db2.gz QBPJRTNWNVKWGG-IBGZPJMESA-N 1 2 372.469 2.279 20 30 FEEDLO N#CCC1(O)CN(C(=O)[C@@H](c2c(F)cccc2Cl)[NH+]2CCCCC2)C1 ZINC000530297690 562405925 /nfs/dbraw/zinc/40/59/25/562405925.db2.gz HLMADMYVWDXITR-MRXNPFEDSA-N 1 2 365.836 2.493 20 30 FEEDLO Cc1nn(C)c(N2CC[NH+](Cc3cc4c(c(Cl)c3)OCO4)CC2)c1C#N ZINC000530519588 562414361 /nfs/dbraw/zinc/41/43/61/562414361.db2.gz ZAFWIDKPZGXUDW-UHFFFAOYSA-N 1 2 373.844 2.305 20 30 FEEDLO N#Cc1cccc(CC(=O)NC[C@H](c2cccs2)[NH+]2CCOCC2)c1 ZINC000531386016 562444356 /nfs/dbraw/zinc/44/43/56/562444356.db2.gz GEYKDWAJNDABHL-QGZVFWFLSA-N 1 2 355.463 2.352 20 30 FEEDLO C=C1CC[NH+](Cc2nc3cc(S(=O)(=O)N(C)C)ccc3n2CC)CC1 ZINC000533280745 562503730 /nfs/dbraw/zinc/50/37/30/562503730.db2.gz QOVNRGVTDCKXDF-UHFFFAOYSA-N 1 2 362.499 2.459 20 30 FEEDLO COc1ccc(C#N)cc1C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000533463912 562509775 /nfs/dbraw/zinc/50/97/75/562509775.db2.gz QSFYLBFZUKQHON-UHFFFAOYSA-N 1 2 353.382 2.192 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000556195952 674391695 /nfs/dbraw/zinc/39/16/95/674391695.db2.gz XQJONKJWOQABSU-XMTFNYHQSA-N 1 2 364.873 2.419 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000556195952 674391696 /nfs/dbraw/zinc/39/16/96/674391696.db2.gz XQJONKJWOQABSU-XMTFNYHQSA-N 1 2 364.873 2.419 20 30 FEEDLO C[NH+]1CCC(n2cc(NS(=O)(=O)c3ccccc3CC#N)cn2)CC1 ZINC000601979126 567894766 /nfs/dbraw/zinc/89/47/66/567894766.db2.gz GIAURNDLWINWOS-UHFFFAOYSA-N 1 2 359.455 2.017 20 30 FEEDLO Cc1cc(I)ccc1NC(=O)C[NH2+][C@@H](C)CC#N ZINC000602867519 568008559 /nfs/dbraw/zinc/00/85/59/568008559.db2.gz DMVZHLDBIAVTEO-JTQLQIEISA-N 1 2 357.195 2.430 20 30 FEEDLO C[C@@H]1CCCN(C(=O)C2CCN(C(=O)C[N@H+](C)[C@@H]3CCC[C@H]3C#N)CC2)C1 ZINC000602976238 568036003 /nfs/dbraw/zinc/03/60/03/568036003.db2.gz NBXNOCSONOLFRE-NZSAHSFTSA-N 1 2 374.529 2.108 20 30 FEEDLO C[C@@H]1CCCN(C(=O)C2CCN(C(=O)C[N@@H+](C)[C@@H]3CCC[C@H]3C#N)CC2)C1 ZINC000602976238 568036004 /nfs/dbraw/zinc/03/60/04/568036004.db2.gz NBXNOCSONOLFRE-NZSAHSFTSA-N 1 2 374.529 2.108 20 30 FEEDLO N#Cc1cc(NC(=O)NCc2cc[nH+]c(N3CCSCC3)c2)ccn1 ZINC000603117964 568063681 /nfs/dbraw/zinc/06/36/81/568063681.db2.gz DREMUUSDJSZXLC-UHFFFAOYSA-N 1 2 354.439 2.223 20 30 FEEDLO CC#CC[NH2+]Cc1cn([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)nn1 ZINC000603197657 568072727 /nfs/dbraw/zinc/07/27/27/568072727.db2.gz OESZJSMUNVHCEA-HNNXBMFYSA-N 1 2 368.416 2.038 20 30 FEEDLO CC1CC[NH+](Cc2csc(NC(=O)Cn3cc(CCC#N)nn3)n2)CC1 ZINC000603250041 568078423 /nfs/dbraw/zinc/07/84/23/568078423.db2.gz BAZJRMXPMZGEJB-UHFFFAOYSA-N 1 2 373.486 2.061 20 30 FEEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)CC1 ZINC000609484668 568344900 /nfs/dbraw/zinc/34/49/00/568344900.db2.gz FGKMYDQDNLXMSS-ICSRJNTNSA-N 1 2 367.497 2.488 20 30 FEEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@@H](C)C(=O)N(C)Cc2cccc(F)c2)CC1 ZINC000609486383 568346343 /nfs/dbraw/zinc/34/63/43/568346343.db2.gz JHKXIPPVOPTJHJ-LPHOPBHVSA-N 1 2 360.477 2.338 20 30 FEEDLO CC[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)[C@@H]1CCN(c2ccccc2)C1=O ZINC000609488879 568466374 /nfs/dbraw/zinc/46/63/74/568466374.db2.gz CHGQQZWWKLZEIW-YLJYHZDGSA-N 1 2 356.470 2.168 20 30 FEEDLO CC[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)[C@@H]1CCN(c2ccccc2)C1=O ZINC000609488879 568466376 /nfs/dbraw/zinc/46/63/76/568466376.db2.gz CHGQQZWWKLZEIW-YLJYHZDGSA-N 1 2 356.470 2.168 20 30 FEEDLO C[C@H]1CN(Cc2ccc(-c3nn[nH]n3)cc2)CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000737196514 598899694 /nfs/dbraw/zinc/89/96/94/598899694.db2.gz NKDPCQVJQNOJKW-INIZCTEOSA-N 1 2 373.464 2.445 20 30 FEEDLO C[C@H]1CN(Cc2ccc(-c3nn[nH]n3)cc2)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC000737196514 598899695 /nfs/dbraw/zinc/89/96/95/598899695.db2.gz NKDPCQVJQNOJKW-INIZCTEOSA-N 1 2 373.464 2.445 20 30 FEEDLO C=CCN(C(=O)[C@H](CC)[N@H+](C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000559267695 674534709 /nfs/dbraw/zinc/53/47/09/674534709.db2.gz RIYKBYDPFUATRN-MSOLQXFVSA-N 1 2 364.511 2.099 20 30 FEEDLO C=CCN(C(=O)[C@H](CC)[N@@H+](C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000559267695 674534711 /nfs/dbraw/zinc/53/47/11/674534711.db2.gz RIYKBYDPFUATRN-MSOLQXFVSA-N 1 2 364.511 2.099 20 30 FEEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N ZINC000559538781 674546778 /nfs/dbraw/zinc/54/67/78/674546778.db2.gz NORNOIXKYJSEMH-LLVKDONJSA-N 1 2 359.455 2.257 20 30 FEEDLO C=CC[N@@H+](Cc1ccc(C(=O)N(C)C)[nH]1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000823915351 608631891 /nfs/dbraw/zinc/63/18/91/608631891.db2.gz VVEKSBHWGQDHMV-UHFFFAOYSA-N 1 2 365.441 2.085 20 30 FEEDLO C=CC[N@H+](Cc1ccc(C(=O)N(C)C)[nH]1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000823915351 608631892 /nfs/dbraw/zinc/63/18/92/608631892.db2.gz VVEKSBHWGQDHMV-UHFFFAOYSA-N 1 2 365.441 2.085 20 30 FEEDLO CC1(C#N)CC[NH+](Cc2nnc(-c3cccc(-c4nn[nH]n4)c3)o2)CC1 ZINC000824777624 609142332 /nfs/dbraw/zinc/14/23/32/609142332.db2.gz KUJILNICFZWSBX-UHFFFAOYSA-N 1 2 350.386 2.042 20 30 FEEDLO CN(C)c1cc(Cl)cc(Cl)c1C=[NH+]N[C@H]1CCS(=O)(=O)C1 ZINC000811627985 674617151 /nfs/dbraw/zinc/61/71/51/674617151.db2.gz KBQJOJVFKCNADX-JTQLQIEISA-N 1 2 350.271 2.170 20 30 FEEDLO C=C[C@](C)(O)CC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000569895506 670629614 /nfs/dbraw/zinc/62/96/14/670629614.db2.gz QJMPBNMNVZMHEZ-JQHSSLGASA-N 1 2 352.862 2.155 20 30 FEEDLO C=C[C@](C)(O)CC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000569895506 670629619 /nfs/dbraw/zinc/62/96/19/670629619.db2.gz QJMPBNMNVZMHEZ-JQHSSLGASA-N 1 2 352.862 2.155 20 30 FEEDLO CNS(=O)(=O)c1ccc(C(=O)/C=C/c2c[nH+]c3c(C)cccn23)cc1 ZINC000125291227 672009932 /nfs/dbraw/zinc/00/99/32/672009932.db2.gz RQHSWWIQJPNODT-JXMROGBWSA-N 1 2 355.419 2.447 20 30 FEEDLO C#CCSCCNC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000129602290 672064759 /nfs/dbraw/zinc/06/47/59/672064759.db2.gz KHJDXBZEIZSHED-HOTGVXAUSA-N 1 2 353.438 2.376 20 30 FEEDLO C#CCSCCNC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000129602290 672064763 /nfs/dbraw/zinc/06/47/63/672064763.db2.gz KHJDXBZEIZSHED-HOTGVXAUSA-N 1 2 353.438 2.376 20 30 FEEDLO Cc1nsc(N2CCC[N@H+](Cc3ccc(C#N)cc3[N+](=O)[O-])CC2)n1 ZINC000584616851 672203381 /nfs/dbraw/zinc/20/33/81/672203381.db2.gz OJFBMKOSSSFUSY-UHFFFAOYSA-N 1 2 358.427 2.339 20 30 FEEDLO Cc1nsc(N2CCC[N@@H+](Cc3ccc(C#N)cc3[N+](=O)[O-])CC2)n1 ZINC000584616851 672203383 /nfs/dbraw/zinc/20/33/83/672203383.db2.gz OJFBMKOSSSFUSY-UHFFFAOYSA-N 1 2 358.427 2.339 20 30 FEEDLO CC[C@H]1C[N@H+](CN2CC(=O)N(Cc3ccccc3C#N)C2=O)CCS1 ZINC000173505864 672352493 /nfs/dbraw/zinc/35/24/93/672352493.db2.gz HWCANLOYEBODFP-INIZCTEOSA-N 1 2 358.467 2.107 20 30 FEEDLO CC[C@H]1C[N@@H+](CN2CC(=O)N(Cc3ccccc3C#N)C2=O)CCS1 ZINC000173505864 672352495 /nfs/dbraw/zinc/35/24/95/672352495.db2.gz HWCANLOYEBODFP-INIZCTEOSA-N 1 2 358.467 2.107 20 30 FEEDLO Cc1ccc(S(=O)(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)o1 ZINC000611340595 676032782 /nfs/dbraw/zinc/03/27/82/676032782.db2.gz BXYZPGNVJHSEIN-UHFFFAOYSA-N 1 2 359.451 2.356 20 30 FEEDLO Cc1ccc(S(=O)(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)o1 ZINC000611340595 676032783 /nfs/dbraw/zinc/03/27/83/676032783.db2.gz BXYZPGNVJHSEIN-UHFFFAOYSA-N 1 2 359.451 2.356 20 30 FEEDLO COc1ccc(C(N)=[NH+]OCC(=O)N2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000193576399 672729891 /nfs/dbraw/zinc/72/98/91/672729891.db2.gz QWGQKOMVNWSPMY-GFCCVEGCSA-N 1 2 359.348 2.133 20 30 FEEDLO CC(=O)N1CCC[C@H](CNC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000329995341 673085225 /nfs/dbraw/zinc/08/52/25/673085225.db2.gz NAMTWSNABGWDQP-MRXNPFEDSA-N 1 2 364.515 2.038 20 30 FEEDLO N#Cc1ccc(N2CC[NH+]([C@H](CO)c3ccc(Cl)cc3)CC2)nc1N ZINC000594556013 673097291 /nfs/dbraw/zinc/09/72/91/673097291.db2.gz JGGWYOHPKSLFQF-MRXNPFEDSA-N 1 2 357.845 2.044 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cccc(F)c1OC(F)F ZINC000595331579 673226181 /nfs/dbraw/zinc/22/61/81/673226181.db2.gz AEFNRZVXHQGJQI-UHFFFAOYSA-N 1 2 357.376 2.475 20 30 FEEDLO N#Cc1sccc1N1CC[NH+](C[C@H](O)COc2ccc(F)cc2)CC1 ZINC000595634056 673276823 /nfs/dbraw/zinc/27/68/23/673276823.db2.gz VLBAOVQYFFPQOF-HNNXBMFYSA-N 1 2 361.442 2.321 20 30 FEEDLO C=C(C)C[C@H](NC(C)=O)C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000613833080 676150544 /nfs/dbraw/zinc/15/05/44/676150544.db2.gz UAFSKFOUNGANBN-SFHVURJKSA-N 1 2 363.889 2.285 20 30 FEEDLO C=C(C)C[C@H](NC(C)=O)C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000613833080 676150546 /nfs/dbraw/zinc/15/05/46/676150546.db2.gz UAFSKFOUNGANBN-SFHVURJKSA-N 1 2 363.889 2.285 20 30 FEEDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)c1ccc(Br)cc1C#N ZINC000597996541 673527947 /nfs/dbraw/zinc/52/79/47/673527947.db2.gz QCGNPWORIOOETG-NEPJUHHUSA-N 1 2 366.259 2.160 20 30 FEEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)c1ccc(Br)cc1C#N ZINC000597996541 673527952 /nfs/dbraw/zinc/52/79/52/673527952.db2.gz QCGNPWORIOOETG-NEPJUHHUSA-N 1 2 366.259 2.160 20 30 FEEDLO CCS[C@H](C)c1noc(C[N@H+](C)C[C@H](O)CC2(C#N)CCOCC2)n1 ZINC000599322037 673658831 /nfs/dbraw/zinc/65/88/31/673658831.db2.gz XFSJEEMNKIHBSD-ZIAGYGMSSA-N 1 2 368.503 2.387 20 30 FEEDLO CCS[C@H](C)c1noc(C[N@@H+](C)C[C@H](O)CC2(C#N)CCOCC2)n1 ZINC000599322037 673658835 /nfs/dbraw/zinc/65/88/35/673658835.db2.gz XFSJEEMNKIHBSD-ZIAGYGMSSA-N 1 2 368.503 2.387 20 30 FEEDLO NC(=[NH+]OCC(=O)NCCc1c(F)cccc1F)c1ccc(F)cc1 ZINC000742352757 673725046 /nfs/dbraw/zinc/72/50/46/673725046.db2.gz BRVIYIMGWZFYCH-UHFFFAOYSA-N 1 2 351.328 2.100 20 30 FEEDLO COC(=O)c1cc(C[NH+]2CCN(c3cccc(C#N)n3)CC2)c(C)s1 ZINC000544881238 673738693 /nfs/dbraw/zinc/73/86/93/673738693.db2.gz CHQNJAZTNRZDFM-UHFFFAOYSA-N 1 2 356.451 2.432 20 30 FEEDLO C#CCC[NH+]1CCN(C(=O)c2cnn(C(C)(C)C)c2C(F)(F)F)CC1 ZINC000744425536 673796152 /nfs/dbraw/zinc/79/61/52/673796152.db2.gz OZAIAAMCURAFPP-UHFFFAOYSA-N 1 2 356.392 2.438 20 30 FEEDLO COc1ccccc1[C@@H](CNS(=O)(=O)CC1(C#N)CCCC1)[NH+](C)C ZINC000546800692 673819692 /nfs/dbraw/zinc/81/96/92/673819692.db2.gz VWRUOWXETDGGFY-MRXNPFEDSA-N 1 2 365.499 2.301 20 30 FEEDLO CO[C@]1(C(F)(F)F)CCC[N@H+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000614923979 676196719 /nfs/dbraw/zinc/19/67/19/676196719.db2.gz HGSGDIRPZACKGN-MRXNPFEDSA-N 1 2 355.360 2.218 20 30 FEEDLO CO[C@]1(C(F)(F)F)CCC[N@@H+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000614923979 676196722 /nfs/dbraw/zinc/19/67/22/676196722.db2.gz HGSGDIRPZACKGN-MRXNPFEDSA-N 1 2 355.360 2.218 20 30 FEEDLO N#Cc1ccc(C2CC[NH+]([C@H]3CCN(CC(F)(F)F)C3=O)CC2)nc1 ZINC000602909267 673913581 /nfs/dbraw/zinc/91/35/81/673913581.db2.gz LEDKADCAJOEVEI-HNNXBMFYSA-N 1 2 352.360 2.296 20 30 FEEDLO C[N@@H+]1CCc2c(cccc2S(=O)(=O)NCCc2ccc(C#N)cc2)C1 ZINC000603378282 673927713 /nfs/dbraw/zinc/92/77/13/673927713.db2.gz AXTISRXZTSINNW-UHFFFAOYSA-N 1 2 355.463 2.067 20 30 FEEDLO C[N@H+]1CCc2c(cccc2S(=O)(=O)NCCc2ccc(C#N)cc2)C1 ZINC000603378282 673927719 /nfs/dbraw/zinc/92/77/19/673927719.db2.gz AXTISRXZTSINNW-UHFFFAOYSA-N 1 2 355.463 2.067 20 30 FEEDLO CCN(CC)C(=O)C[NH+]1CCN(c2cccc(C(F)F)c2C#N)CC1 ZINC000567486886 675297264 /nfs/dbraw/zinc/29/72/64/675297264.db2.gz XIJXFCUDFHXDRA-UHFFFAOYSA-N 1 2 350.413 2.486 20 30 FEEDLO CC(C)n1c[nH+]cc1CN=Nc1ncnc2c1c(Br)nn2C ZINC000819807290 675316244 /nfs/dbraw/zinc/31/62/44/675316244.db2.gz NFRXNPXHNOYAGX-UHFFFAOYSA-N 1 2 363.223 2.349 20 30 FEEDLO COC(=O)C1(C#N)CC[NH+](Cc2ccc(Cl)cc2-n2cncn2)CC1 ZINC000824872117 675626239 /nfs/dbraw/zinc/62/62/39/675626239.db2.gz OLIIEPXPBOKDLH-UHFFFAOYSA-N 1 2 359.817 2.199 20 30 FEEDLO N#Cc1ccc(CNC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)cc1Cl ZINC000619828601 676396553 /nfs/dbraw/zinc/39/65/53/676396553.db2.gz WDJKHGXGFXKVLL-MRXNPFEDSA-N 1 2 362.861 2.218 20 30 FEEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1C[C@H](OC)C[C@]1(C)CO ZINC000640007652 677171177 /nfs/dbraw/zinc/17/11/77/677171177.db2.gz FPFBLCHQBUMMBC-RDTXWAMCSA-N 1 2 350.484 2.375 20 30 FEEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1C[C@H](OC)C[C@]1(C)CO ZINC000640007652 677171178 /nfs/dbraw/zinc/17/11/78/677171178.db2.gz FPFBLCHQBUMMBC-RDTXWAMCSA-N 1 2 350.484 2.375 20 30 FEEDLO C=CCSc1ccccc1NC(=O)Cn1cc(C[NH2+]CC#CC)nn1 ZINC000640861577 677190240 /nfs/dbraw/zinc/19/02/40/677190240.db2.gz UIXCQBJIARSETJ-UHFFFAOYSA-N 1 2 355.467 2.308 20 30 FEEDLO CC#CC[NH2+]Cc1cn(CC(=O)N[C@H](CC)c2ccc(Cl)cc2)nn1 ZINC000640926493 677191881 /nfs/dbraw/zinc/19/18/81/677191881.db2.gz AEAKSQWXRRMJNW-QGZVFWFLSA-N 1 2 359.861 2.312 20 30 FEEDLO CC#CC[NH2+]Cc1cn(Cc2nc3ccc(Br)cc3n2C)nn1 ZINC000641175563 677196111 /nfs/dbraw/zinc/19/61/11/677196111.db2.gz UHXZYQMFYBJEGA-UHFFFAOYSA-N 1 2 373.258 2.089 20 30 FEEDLO C=CCCn1cc(C[N@H+]2CCC[C@@H](CNC(=O)CC(F)(F)F)C2)nn1 ZINC000653671812 677543328 /nfs/dbraw/zinc/54/33/28/677543328.db2.gz XKXKIPJWYHDPRF-ZDUSSCGKSA-N 1 2 359.396 2.135 20 30 FEEDLO C=CCCn1cc(C[N@@H+]2CCC[C@@H](CNC(=O)CC(F)(F)F)C2)nn1 ZINC000653671812 677543329 /nfs/dbraw/zinc/54/33/29/677543329.db2.gz XKXKIPJWYHDPRF-ZDUSSCGKSA-N 1 2 359.396 2.135 20 30 FEEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)[C@@H]2CCO[C@H]2c2ccnn2CC)CC1 ZINC000981376163 680230280 /nfs/dbraw/zinc/23/02/80/680230280.db2.gz GEVOHGLHEAIASE-NVXWUHKLSA-N 1 2 366.893 2.267 20 30 FEEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)[C@@H]2CCO[C@H]2c2ccnn2CC)CC1 ZINC000981376163 680230281 /nfs/dbraw/zinc/23/02/81/680230281.db2.gz GEVOHGLHEAIASE-NVXWUHKLSA-N 1 2 366.893 2.267 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1CC(=C)Br ZINC001024660983 680299028 /nfs/dbraw/zinc/29/90/28/680299028.db2.gz VPSYBSXIRXEFDC-KFWWJZLASA-N 1 2 357.292 2.457 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CC(=C)Br ZINC001024660983 680299030 /nfs/dbraw/zinc/29/90/30/680299030.db2.gz VPSYBSXIRXEFDC-KFWWJZLASA-N 1 2 357.292 2.457 20 30 FEEDLO CCN(C[C@H]1CC[N@H+](Cn2ccc(C)c(C#N)c2=O)C1)CC(F)(F)F ZINC000758231380 680563974 /nfs/dbraw/zinc/56/39/74/680563974.db2.gz OCDIMQGCBXEYLB-CQSZACIVSA-N 1 2 356.392 2.192 20 30 FEEDLO CCN(C[C@H]1CC[N@@H+](Cn2ccc(C)c(C#N)c2=O)C1)CC(F)(F)F ZINC000758231380 680563978 /nfs/dbraw/zinc/56/39/78/680563978.db2.gz OCDIMQGCBXEYLB-CQSZACIVSA-N 1 2 356.392 2.192 20 30 FEEDLO CC(C)(C)c1ccc(C#N)c(NC2CC[NH+](CCS(C)(=O)=O)CC2)n1 ZINC000767188000 680902170 /nfs/dbraw/zinc/90/21/70/680902170.db2.gz CZXOLQODYWGGKK-UHFFFAOYSA-N 1 2 364.515 2.172 20 30 FEEDLO C#CC[C@@H]1CCC[N@@H+](Cc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2Cl)C1 ZINC000843423581 681003175 /nfs/dbraw/zinc/00/31/75/681003175.db2.gz GOTRQGGYGQCJFQ-HUUCEWRRSA-N 1 2 369.918 2.440 20 30 FEEDLO C#CC[C@@H]1CCC[N@H+](Cc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2Cl)C1 ZINC000843423581 681003176 /nfs/dbraw/zinc/00/31/76/681003176.db2.gz GOTRQGGYGQCJFQ-HUUCEWRRSA-N 1 2 369.918 2.440 20 30 FEEDLO C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1CNc1nc(Cl)c(C#N)s1 ZINC001054574010 681113713 /nfs/dbraw/zinc/11/37/13/681113713.db2.gz ULWRHNLTLUJIQL-NXEZZACHSA-N 1 2 364.862 2.140 20 30 FEEDLO CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000773978937 681163204 /nfs/dbraw/zinc/16/32/04/681163204.db2.gz DPQOMGTXFMFBSZ-ZIAGYGMSSA-N 1 2 361.467 2.170 20 30 FEEDLO CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000773978937 681163205 /nfs/dbraw/zinc/16/32/05/681163205.db2.gz DPQOMGTXFMFBSZ-ZIAGYGMSSA-N 1 2 361.467 2.170 20 30 FEEDLO C=C(Cl)C(C)(C)C(=O)N1CCC(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000946851867 681265061 /nfs/dbraw/zinc/26/50/61/681265061.db2.gz BRURLYRRZVCIMI-ZIAGYGMSSA-N 1 2 364.877 2.399 20 30 FEEDLO C=C(Cl)C(C)(C)C(=O)N1CCC(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000946851867 681265069 /nfs/dbraw/zinc/26/50/69/681265069.db2.gz BRURLYRRZVCIMI-ZIAGYGMSSA-N 1 2 364.877 2.399 20 30 FEEDLO CCN1C[C@@H](C[NH+]2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)OC1=O ZINC000846885280 681303208 /nfs/dbraw/zinc/30/32/08/681303208.db2.gz OKPMPUSDGOLZBM-SJORKVTESA-N 1 2 362.861 2.363 20 30 FEEDLO C#CCCN1CC[NH+](C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000776593107 681412622 /nfs/dbraw/zinc/41/26/22/681412622.db2.gz REOLOZJEOMDVHU-OAHLLOKOSA-N 1 2 357.281 2.374 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@H](Cc3nccs3)C2)cc1 ZINC000934333463 681553254 /nfs/dbraw/zinc/55/32/54/681553254.db2.gz PVWNOWRAMFTHAP-OAHLLOKOSA-N 1 2 361.492 2.353 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@H](Cc3nccs3)C2)cc1 ZINC000934333463 681553256 /nfs/dbraw/zinc/55/32/56/681553256.db2.gz PVWNOWRAMFTHAP-OAHLLOKOSA-N 1 2 361.492 2.353 20 30 FEEDLO Cc1ncc(C=NNC2=[NH+]C[C@H](C)N2)n1-c1ccc(Br)cc1 ZINC000779791206 681753457 /nfs/dbraw/zinc/75/34/57/681753457.db2.gz HSLWOQYIWXODQG-JTQLQIEISA-N 1 2 361.247 2.214 20 30 FEEDLO C#CCC[NH+]1CCN(C(=O)CCC(=O)c2ccc(OC)cc2Cl)CC1 ZINC000780406695 681824751 /nfs/dbraw/zinc/82/47/51/681824751.db2.gz RPPBUPIRUDJGSC-UHFFFAOYSA-N 1 2 362.857 2.479 20 30 FEEDLO C#CCNC(=O)CN1CC[NH+](Cc2cccc(SC(F)(F)F)c2)CC1 ZINC000781327805 681922850 /nfs/dbraw/zinc/92/28/50/681922850.db2.gz NGWPFMVFZPIGHQ-UHFFFAOYSA-N 1 2 371.428 2.166 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H](C)C1C[NH+](Cc2cc(OC)ns2)C1 ZINC000969693494 682272958 /nfs/dbraw/zinc/27/29/58/682272958.db2.gz VHMFBDRTIHGTMT-WQVCFCJDSA-N 1 2 365.499 2.069 20 30 FEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2OCCO[C@@H]2c2ccccc2)C1 ZINC000969864384 682279312 /nfs/dbraw/zinc/27/93/12/682279312.db2.gz BRCNJHUMBKVIBO-ZTFGCOKTSA-N 1 2 364.873 2.332 20 30 FEEDLO Cc1[nH]c(CN=Nc2ccc(S(=O)(=O)N3CCCCC3)cn2)[nH+]c1C ZINC000853279824 682401371 /nfs/dbraw/zinc/40/13/71/682401371.db2.gz VONGYWPNQFBLNU-UHFFFAOYSA-N 1 2 362.459 2.042 20 30 FEEDLO C=C(Cl)C(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)[C@@H]2C1 ZINC000972739871 682432790 /nfs/dbraw/zinc/43/27/90/682432790.db2.gz YKLVKENNXDPUNE-UKRRQHHQSA-N 1 2 364.877 2.180 20 30 FEEDLO C=C(Cl)C(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)[C@@H]2C1 ZINC000972739871 682432792 /nfs/dbraw/zinc/43/27/92/682432792.db2.gz YKLVKENNXDPUNE-UKRRQHHQSA-N 1 2 364.877 2.180 20 30 FEEDLO C#CCn1cc(CNC(=O)[C@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)cn1 ZINC000861366507 683399767 /nfs/dbraw/zinc/39/97/67/683399767.db2.gz NLGYXPUTIHGPQC-GOSISDBHSA-N 1 2 356.857 2.451 20 30 FEEDLO C#CCn1cc(CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)cn1 ZINC000861366507 683399776 /nfs/dbraw/zinc/39/97/76/683399776.db2.gz NLGYXPUTIHGPQC-GOSISDBHSA-N 1 2 356.857 2.451 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1c(O)cccc1Br ZINC000862210143 683549930 /nfs/dbraw/zinc/54/99/30/683549930.db2.gz AWQKEQFBTIXMKB-UHFFFAOYSA-N 1 2 368.275 2.203 20 30 FEEDLO C=CC[N@@H+](CCCN(C(=O)OC(C)(C)C)C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000929977868 683664129 /nfs/dbraw/zinc/66/41/29/683664129.db2.gz XMDTYNUFGTXCGX-INIZCTEOSA-N 1 2 372.531 2.451 20 30 FEEDLO C=CC[N@H+](CCCN(C(=O)OC(C)(C)C)C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000929977868 683664133 /nfs/dbraw/zinc/66/41/33/683664133.db2.gz XMDTYNUFGTXCGX-INIZCTEOSA-N 1 2 372.531 2.451 20 30 FEEDLO C[C@@H]1C(=O)N[C@@H](C)[C@@H](C)[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000930835368 683790800 /nfs/dbraw/zinc/79/08/00/683790800.db2.gz PUNTUTWLLADNDP-QJPTWQEYSA-N 1 2 360.483 2.034 20 30 FEEDLO C[C@@H]1C(=O)N[C@@H](C)[C@@H](C)[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000930835368 683790802 /nfs/dbraw/zinc/79/08/02/683790802.db2.gz PUNTUTWLLADNDP-QJPTWQEYSA-N 1 2 360.483 2.034 20 30 FEEDLO C[C@@H]1NC(=O)[C@H](C)[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)[C@H]1C ZINC000930835370 683790956 /nfs/dbraw/zinc/79/09/56/683790956.db2.gz PUNTUTWLLADNDP-SRVKXCTJSA-N 1 2 360.483 2.034 20 30 FEEDLO C[C@@H]1NC(=O)[C@H](C)[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)[C@H]1C ZINC000930835370 683790958 /nfs/dbraw/zinc/79/09/58/683790958.db2.gz PUNTUTWLLADNDP-SRVKXCTJSA-N 1 2 360.483 2.034 20 30 FEEDLO N#C[C@@H](NC(=O)/C=C/C[NH+]1CCOCC1)c1cccc(C(F)(F)F)c1 ZINC000865658673 684011344 /nfs/dbraw/zinc/01/13/44/684011344.db2.gz WESRJSKEIJGJDQ-FIMWJMCYSA-N 1 2 353.344 2.275 20 30 FEEDLO CCC(CC)CN(CCC#N)C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000932040247 684397350 /nfs/dbraw/zinc/39/73/50/684397350.db2.gz MBKJWVINQAMZAP-MSOLQXFVSA-N 1 2 351.491 2.045 20 30 FEEDLO C#C[C@H](NC(=O)N[C@@H]1Cc2c[nH+]cn2C1)c1ccc(Br)cc1 ZINC000875724624 686071216 /nfs/dbraw/zinc/07/12/16/686071216.db2.gz FYPKLHQHUXDVGN-HIFRSBDPSA-N 1 2 359.227 2.244 20 30 FEEDLO COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCC[N@@H+]1C[C@@H](C)CCC#N ZINC000877524301 686401490 /nfs/dbraw/zinc/40/14/90/686401490.db2.gz UNZWSLJTIUCJNR-GJZGRUSLSA-N 1 2 353.463 2.411 20 30 FEEDLO COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCC[N@H+]1C[C@@H](C)CCC#N ZINC000877524301 686401492 /nfs/dbraw/zinc/40/14/92/686401492.db2.gz UNZWSLJTIUCJNR-GJZGRUSLSA-N 1 2 353.463 2.411 20 30 FEEDLO CCOC(=O)[C@@H]1C[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])CCC1(F)F ZINC000879367120 686805958 /nfs/dbraw/zinc/80/59/58/686805958.db2.gz DDLLODWMGPGJDX-ZDUSSCGKSA-N 1 2 353.325 2.487 20 30 FEEDLO CCOC(=O)[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])CCC1(F)F ZINC000879367120 686805964 /nfs/dbraw/zinc/80/59/64/686805964.db2.gz DDLLODWMGPGJDX-ZDUSSCGKSA-N 1 2 353.325 2.487 20 30 FEEDLO Cc1sc(NC(=O)C[N@H+](CC2CC2)[C@@H](C(N)=O)C2CC2)c(C#N)c1C ZINC000879488518 686834512 /nfs/dbraw/zinc/83/45/12/686834512.db2.gz NTLBJOOIIOJOKI-MRXNPFEDSA-N 1 2 360.483 2.151 20 30 FEEDLO Cc1sc(NC(=O)C[N@@H+](CC2CC2)[C@@H](C(N)=O)C2CC2)c(C#N)c1C ZINC000879488518 686834520 /nfs/dbraw/zinc/83/45/20/686834520.db2.gz NTLBJOOIIOJOKI-MRXNPFEDSA-N 1 2 360.483 2.151 20 30 FEEDLO O=C(C[C@@H](n1cc[nH+]c1)C(F)(F)F)NC[C@H](O)C(F)(F)C(F)(F)F ZINC000882554443 687391183 /nfs/dbraw/zinc/39/11/83/687391183.db2.gz MHWHZLMRBHSRLU-RQJHMYQMSA-N 1 2 369.212 2.051 20 30 FEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCc2ccc(C(F)(F)F)cc2C1 ZINC000884450424 687873444 /nfs/dbraw/zinc/87/34/44/687873444.db2.gz IVTKVIIYKHGYBZ-AWEZNQCLSA-N 1 2 356.344 2.037 20 30 FEEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)C1 ZINC000891605514 689083092 /nfs/dbraw/zinc/08/30/92/689083092.db2.gz GEHGROFHUDPAQF-ZDUSSCGKSA-N 1 2 354.237 2.146 20 30 FEEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)C1 ZINC000891605514 689083097 /nfs/dbraw/zinc/08/30/97/689083097.db2.gz GEHGROFHUDPAQF-ZDUSSCGKSA-N 1 2 354.237 2.146 20 30 FEEDLO C/C(=C\C(=O)Nc1nc(C)c(SCC#N)s1)C[NH+]1CCOCC1 ZINC000900479707 690522053 /nfs/dbraw/zinc/52/20/53/690522053.db2.gz DBTJDFVOBMEPFK-PKNBQFBNSA-N 1 2 352.485 2.284 20 30 FEEDLO N#Cc1ccc(CS(=O)(=O)N2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000010958900 539522978 /nfs/dbraw/zinc/52/29/78/539522978.db2.gz RYRULZCTXLTAEN-UHFFFAOYSA-N 1 2 369.490 2.248 20 30 FEEDLO C=CCN1C(=O)c2ccc(C(=O)NCCc3cn4ccccc4[nH+]3)cc2C1=O ZINC000011534749 539529268 /nfs/dbraw/zinc/52/92/68/539529268.db2.gz QSQANSZVKVZIDK-UHFFFAOYSA-N 1 2 374.400 2.089 20 30 FEEDLO C[C@H]1C[C@H](C)CN(C(=O)CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000023257869 539710425 /nfs/dbraw/zinc/71/04/25/539710425.db2.gz IFVKMSOFILFQRT-ROUUACIJSA-N 1 2 354.498 2.180 20 30 FEEDLO C[C@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000023257869 539710431 /nfs/dbraw/zinc/71/04/31/539710431.db2.gz IFVKMSOFILFQRT-ROUUACIJSA-N 1 2 354.498 2.180 20 30 FEEDLO C[C@@H]1C[C@@H](C)CN(C(=O)C[NH+]2CCN(Cc3ccccc3C#N)CC2)C1 ZINC000023257281 539710779 /nfs/dbraw/zinc/71/07/79/539710779.db2.gz CUHDPYBSAHXCGP-QZTJIDSGSA-N 1 2 354.498 2.180 20 30 FEEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1OC(F)(F)F ZINC000025259508 539752888 /nfs/dbraw/zinc/75/28/88/539752888.db2.gz FJRGPIQSCDVZHH-LLVKDONJSA-N 1 2 359.348 2.417 20 30 FEEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1OC(F)(F)F ZINC000025259508 539752892 /nfs/dbraw/zinc/75/28/92/539752892.db2.gz FJRGPIQSCDVZHH-LLVKDONJSA-N 1 2 359.348 2.417 20 30 FEEDLO Cc1cc2ncc(C(=O)N3CC[NH+](Cc4ccc(C#N)cc4)CC3)c(C)n2n1 ZINC000025387155 539758977 /nfs/dbraw/zinc/75/89/77/539758977.db2.gz KXALFVIHAQBYJD-UHFFFAOYSA-N 1 2 374.448 2.176 20 30 FEEDLO CNc1snc(C)c1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000027314425 539805021 /nfs/dbraw/zinc/80/50/21/539805021.db2.gz ANDPZRUZVUXBKB-UHFFFAOYSA-N 1 2 355.467 2.323 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN([C@@H](C(N)=O)c3ccc(F)cc3)CC2)cc1 ZINC000028963040 539840113 /nfs/dbraw/zinc/84/01/13/539840113.db2.gz PEOFJCIBLDDYNZ-LJQANCHMSA-N 1 2 352.413 2.042 20 30 FEEDLO C[C@H](C(=O)N1CCC(C)CC1)[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000029857135 539867027 /nfs/dbraw/zinc/86/70/27/539867027.db2.gz IDMBSPMOVKJTSW-MRXNPFEDSA-N 1 2 358.461 2.466 20 30 FEEDLO COc1cccc(N2CC[NH+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC2)c1 ZINC000030963752 539895114 /nfs/dbraw/zinc/89/51/14/539895114.db2.gz WJZOJAKGFVRFOD-OXQOHEQNSA-N 1 2 358.486 2.260 20 30 FEEDLO N#Cc1cccc(NC(=O)C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000041858898 540036887 /nfs/dbraw/zinc/03/68/87/540036887.db2.gz NFRXHZOSOIEBSA-UHFFFAOYSA-N 1 2 359.389 2.058 20 30 FEEDLO C[C@@H]1C[N@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)[C@H](C)CO1 ZINC000045785934 540227500 /nfs/dbraw/zinc/22/75/00/540227500.db2.gz PQNJNABWOIXZJB-ZIAGYGMSSA-N 1 2 354.372 2.282 20 30 FEEDLO C[C@@H]1C[N@@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)[C@H](C)CO1 ZINC000045785934 540227502 /nfs/dbraw/zinc/22/75/02/540227502.db2.gz PQNJNABWOIXZJB-ZIAGYGMSSA-N 1 2 354.372 2.282 20 30 FEEDLO C=CCNC(=O)CN1CC[NH+](Cc2ccc(OCC(F)(F)F)cc2)CC1 ZINC000047265463 540300412 /nfs/dbraw/zinc/30/04/12/540300412.db2.gz XPZOXPMTBMDAAC-UHFFFAOYSA-N 1 2 371.403 2.048 20 30 FEEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN(C(=O)c2cc(C)oc2C)CC1 ZINC000052242308 540459717 /nfs/dbraw/zinc/45/97/17/540459717.db2.gz DOCPTFDHQFLCFF-INIZCTEOSA-N 1 2 359.470 2.243 20 30 FEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H]1C(=O)Nc1ccc(OC)cc1 ZINC000052715520 540484986 /nfs/dbraw/zinc/48/49/86/540484986.db2.gz NPVCMKSXCCDHQB-MAUKXSAKSA-N 1 2 372.469 2.106 20 30 FEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H]1C(=O)Nc1ccc(OC)cc1 ZINC000052715520 540484990 /nfs/dbraw/zinc/48/49/90/540484990.db2.gz NPVCMKSXCCDHQB-MAUKXSAKSA-N 1 2 372.469 2.106 20 30 FEEDLO Cc1cc(NC(=O)[C@@H](C)[N@@H+]2CCCN(c3ccccc3C#N)CC2)on1 ZINC000052801306 540489599 /nfs/dbraw/zinc/48/95/99/540489599.db2.gz SNILYKORXJBOKN-OAHLLOKOSA-N 1 2 353.426 2.394 20 30 FEEDLO Cc1cc(NC(=O)[C@@H](C)[N@H+]2CCCN(c3ccccc3C#N)CC2)on1 ZINC000052801306 540489603 /nfs/dbraw/zinc/48/96/03/540489603.db2.gz SNILYKORXJBOKN-OAHLLOKOSA-N 1 2 353.426 2.394 20 30 FEEDLO COc1cc(C#N)ccc1OCC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000053282957 540523585 /nfs/dbraw/zinc/52/35/85/540523585.db2.gz CIUHWRCXEDHNME-UHFFFAOYSA-N 1 2 371.462 2.352 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H]2C(=O)NC2CC2)c1 ZINC000054985392 540619957 /nfs/dbraw/zinc/61/99/57/540619957.db2.gz ZXXBUFMTIUIRPN-IBGZPJMESA-N 1 2 368.481 2.293 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCC[C@H]2C(=O)NC2CC2)c1 ZINC000054985392 540619959 /nfs/dbraw/zinc/61/99/59/540619959.db2.gz ZXXBUFMTIUIRPN-IBGZPJMESA-N 1 2 368.481 2.293 20 30 FEEDLO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(Cl)c(C#N)c1)c1ccco1 ZINC000055217725 540636887 /nfs/dbraw/zinc/63/68/87/540636887.db2.gz YSSXMTIWKONDMR-CQSZACIVSA-N 1 2 353.831 2.386 20 30 FEEDLO CN(C(=O)C[N@@H+]1CCCN(C(=O)c2ccoc2)CC1)C1(C#N)CCCCC1 ZINC000055059879 540625456 /nfs/dbraw/zinc/62/54/56/540625456.db2.gz DDVNIMOBFQYVRG-UHFFFAOYSA-N 1 2 372.469 2.112 20 30 FEEDLO CN(C(=O)C[N@H+]1CCCN(C(=O)c2ccoc2)CC1)C1(C#N)CCCCC1 ZINC000055059879 540625461 /nfs/dbraw/zinc/62/54/61/540625461.db2.gz DDVNIMOBFQYVRG-UHFFFAOYSA-N 1 2 372.469 2.112 20 30 FEEDLO N#Cc1ccc(N2CC[NH+](CC(=O)NCc3ccc(Cl)cc3)CC2)nc1 ZINC000060481878 541113979 /nfs/dbraw/zinc/11/39/79/541113979.db2.gz UUXVPCKAKORDJJ-UHFFFAOYSA-N 1 2 369.856 2.045 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1ccc(Br)cc1 ZINC000060633663 541120043 /nfs/dbraw/zinc/12/00/43/541120043.db2.gz CAZRUGCKWCIDSA-UHFFFAOYSA-N 1 2 366.259 2.137 20 30 FEEDLO Cc1cc(C)n(Cc2cccc(C(N)=[NH+]OCC(=O)N3CCCCC3)c2)n1 ZINC000063510185 541171639 /nfs/dbraw/zinc/17/16/39/541171639.db2.gz UTSMDDJISLONHP-UHFFFAOYSA-N 1 2 369.469 2.198 20 30 FEEDLO N#Cc1cccnc1N1CCC[N@@H+](CC(=O)Nc2ccc(Cl)cn2)CC1 ZINC000064632911 541213221 /nfs/dbraw/zinc/21/32/21/541213221.db2.gz ICHJSDSEPCRBBK-UHFFFAOYSA-N 1 2 370.844 2.152 20 30 FEEDLO N#Cc1cccnc1N1CCC[N@H+](CC(=O)Nc2ccc(Cl)cn2)CC1 ZINC000064632911 541213225 /nfs/dbraw/zinc/21/32/25/541213225.db2.gz ICHJSDSEPCRBBK-UHFFFAOYSA-N 1 2 370.844 2.152 20 30 FEEDLO N#Cc1cccnc1N1CCC[N@@H+](CC(=O)NC2CCCCCC2)CC1 ZINC000064634445 541213590 /nfs/dbraw/zinc/21/35/90/541213590.db2.gz UMYDBLMUVLAOCN-UHFFFAOYSA-N 1 2 355.486 2.304 20 30 FEEDLO N#Cc1cccnc1N1CCC[N@H+](CC(=O)NC2CCCCCC2)CC1 ZINC000064634445 541213592 /nfs/dbraw/zinc/21/35/92/541213592.db2.gz UMYDBLMUVLAOCN-UHFFFAOYSA-N 1 2 355.486 2.304 20 30 FEEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCCn1cc[nH+]c1 ZINC000066982645 541403219 /nfs/dbraw/zinc/40/32/19/541403219.db2.gz OXHZYFZEMYEKQC-ZDUSSCGKSA-N 1 2 357.439 2.032 20 30 FEEDLO N#CCOc1ccc(CNC(=O)NCCc2cn3c([nH+]2)CCCC3)cc1 ZINC000069265978 541672823 /nfs/dbraw/zinc/67/28/23/541672823.db2.gz YNSOIYLPFSIZRY-UHFFFAOYSA-N 1 2 353.426 2.164 20 30 FEEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCN(Cc2ccon2)CC1 ZINC000072722923 541858000 /nfs/dbraw/zinc/85/80/00/541858000.db2.gz VQZYJSDKXAGWPL-GNZRSQJKSA-N 1 2 373.501 2.112 20 30 FEEDLO CCN(CC)C(=O)C[N@H+](C)[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000072878434 541886959 /nfs/dbraw/zinc/88/69/59/541886959.db2.gz ZJFFOXKGDFOEJU-GFCCVEGCSA-N 1 2 350.850 2.339 20 30 FEEDLO CCN(CC)C(=O)C[N@@H+](C)[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000072878434 541886961 /nfs/dbraw/zinc/88/69/61/541886961.db2.gz ZJFFOXKGDFOEJU-GFCCVEGCSA-N 1 2 350.850 2.339 20 30 FEEDLO Cc1nc(CC(N)=[NH+]O[C@H](C)C(=O)NCCc2ccccc2C)cs1 ZINC000072920139 541894211 /nfs/dbraw/zinc/89/42/11/541894211.db2.gz HMSJHHKCZNRAIF-CYBMUJFWSA-N 1 2 360.483 2.339 20 30 FEEDLO C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000073108387 541919539 /nfs/dbraw/zinc/91/95/39/541919539.db2.gz XYMVBBVZUVNZOP-BRWVUGGUSA-N 1 2 355.486 2.253 20 30 FEEDLO Cc1oc(NC(=O)C[N@H+](C)C[C@H](O)COCc2ccccc2)c(C#N)c1C ZINC000074289484 542064336 /nfs/dbraw/zinc/06/43/36/542064336.db2.gz SZTRAFHKMDUIEW-KRWDZBQOSA-N 1 2 371.437 2.216 20 30 FEEDLO Cc1oc(NC(=O)C[N@@H+](C)C[C@H](O)COCc2ccccc2)c(C#N)c1C ZINC000074289484 542064341 /nfs/dbraw/zinc/06/43/41/542064341.db2.gz SZTRAFHKMDUIEW-KRWDZBQOSA-N 1 2 371.437 2.216 20 30 FEEDLO N#Cc1ccc(CNC(=O)NC2CC[NH+](Cc3cscn3)CC2)cc1 ZINC000075970210 542221192 /nfs/dbraw/zinc/22/11/92/542221192.db2.gz MLTYDORLDXGWLA-UHFFFAOYSA-N 1 2 355.467 2.479 20 30 FEEDLO C[C@@H](O[NH+]=C(N)c1ccc(N2CCCCC2)nc1)C(=O)N1CCC(C)CC1 ZINC000078696071 542476453 /nfs/dbraw/zinc/47/64/53/542476453.db2.gz GNBKGALAYSYWNV-MRXNPFEDSA-N 1 2 373.501 2.356 20 30 FEEDLO CC[NH+]1CCN(C(=O)[C@H](C)Sc2nc3c(c(C)c2C#N)CCC3)CC1 ZINC000078873956 542485594 /nfs/dbraw/zinc/48/55/94/542485594.db2.gz MAYIDNDTXWETTG-AWEZNQCLSA-N 1 2 358.511 2.395 20 30 FEEDLO C[C@H](C#N)OCC[N@H+](C)Cc1cn(-c2cccc(Br)c2)nn1 ZINC000801953422 674156802 /nfs/dbraw/zinc/15/68/02/674156802.db2.gz PFRADQCRKLTXDP-GFCCVEGCSA-N 1 2 364.247 2.390 20 30 FEEDLO C[C@H](C#N)OCC[N@@H+](C)Cc1cn(-c2cccc(Br)c2)nn1 ZINC000801953422 674156803 /nfs/dbraw/zinc/15/68/03/674156803.db2.gz PFRADQCRKLTXDP-GFCCVEGCSA-N 1 2 364.247 2.390 20 30 FEEDLO C=CCSc1nc2ccsc2c(=O)n1CCC[NH+]1CCOCC1 ZINC000079830089 542544290 /nfs/dbraw/zinc/54/42/90/542544290.db2.gz XKJBNVZMWYAIRI-UHFFFAOYSA-N 1 2 351.497 2.458 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1csc(-c2ccccn2)n1 ZINC000081158437 542636420 /nfs/dbraw/zinc/63/64/20/542636420.db2.gz GEYQNIWBDVLJOD-UHFFFAOYSA-N 1 2 357.483 2.253 20 30 FEEDLO Cc1cc(NC(=O)CO[NH+]=C(N)c2cccc(C(F)(F)F)c2)n(C)n1 ZINC000085260453 542724290 /nfs/dbraw/zinc/72/42/90/542724290.db2.gz CBWWZYSBFBGRSS-UHFFFAOYSA-N 1 2 355.320 2.023 20 30 FEEDLO Cc1cccc(CNC(=O)C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)c1 ZINC000088524878 542752616 /nfs/dbraw/zinc/75/26/16/542752616.db2.gz ZDBPJHRIWIZLLY-OAQYLSRUSA-N 1 2 362.477 2.494 20 30 FEEDLO N#CCCN(CCOc1ccc(F)cc1Cl)CC[NH+]1CCOCC1 ZINC000091675458 542819668 /nfs/dbraw/zinc/81/96/68/542819668.db2.gz KEVALWBFFBDTBV-UHFFFAOYSA-N 1 2 355.841 2.406 20 30 FEEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](NS(=O)(=O)c3cccc(F)c3)C2)o1 ZINC000093056861 542906156 /nfs/dbraw/zinc/90/61/56/542906156.db2.gz UKCIFFGZNGJSBG-AWEZNQCLSA-N 1 2 363.414 2.233 20 30 FEEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](NS(=O)(=O)c3cccc(F)c3)C2)o1 ZINC000093056861 542906160 /nfs/dbraw/zinc/90/61/60/542906160.db2.gz UKCIFFGZNGJSBG-AWEZNQCLSA-N 1 2 363.414 2.233 20 30 FEEDLO CN(Cc1ccc(F)cc1)C(=O)C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000101728711 543042481 /nfs/dbraw/zinc/04/24/81/543042481.db2.gz QERWYACCBUYSGY-UHFFFAOYSA-N 1 2 366.440 2.478 20 30 FEEDLO N#Cc1ccc(CN2CC[NH+](CC(=O)NC3CCCCC3)CC2)c(F)c1 ZINC000103145570 543094588 /nfs/dbraw/zinc/09/45/88/543094588.db2.gz LDWHMZUXKKCJMX-UHFFFAOYSA-N 1 2 358.461 2.264 20 30 FEEDLO CCN(CCC#N)C(=O)C[NH+]1CCN([C@H](C)c2ccc(F)cc2F)CC1 ZINC000103494323 543112461 /nfs/dbraw/zinc/11/24/61/543112461.db2.gz IREOTLURCAZOOH-OAHLLOKOSA-N 1 2 364.440 2.406 20 30 FEEDLO Cc1oc(NC(=O)[C@H](C)[NH+]2CCC(N3CCCC3=O)CC2)c(C#N)c1C ZINC000104728089 543140257 /nfs/dbraw/zinc/14/02/57/543140257.db2.gz SNANUWQDINEDIE-ZDUSSCGKSA-N 1 2 358.442 2.182 20 30 FEEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000106583251 543240379 /nfs/dbraw/zinc/24/03/79/543240379.db2.gz QZLOEVKXLCTULB-QGZVFWFLSA-N 1 2 357.502 2.116 20 30 FEEDLO CS(=O)(=O)NCC[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000107299470 543265591 /nfs/dbraw/zinc/26/55/91/543265591.db2.gz MTUCASMBGUOMJB-UHFFFAOYSA-N 1 2 361.442 2.249 20 30 FEEDLO CS(=O)(=O)NCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000107299470 543265595 /nfs/dbraw/zinc/26/55/95/543265595.db2.gz MTUCASMBGUOMJB-UHFFFAOYSA-N 1 2 361.442 2.249 20 30 FEEDLO Cc1ccc(C#N)cc1S(=O)(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000114736007 543534622 /nfs/dbraw/zinc/53/46/22/543534622.db2.gz XWIGCMMGTMZWBF-HUUCEWRRSA-N 1 2 365.499 2.033 20 30 FEEDLO CC[NH+](CC)Cc1nc(C2(NC(=O)c3ccc(C#N)nc3)CCCC2)no1 ZINC000115344978 543561286 /nfs/dbraw/zinc/56/12/86/543561286.db2.gz AKEVIKCHGCQMMN-UHFFFAOYSA-N 1 2 368.441 2.377 20 30 FEEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCOC)CC1 ZINC000802469516 674182880 /nfs/dbraw/zinc/18/28/80/674182880.db2.gz NYFRPWFVBSGDNZ-UHFFFAOYSA-N 1 2 359.861 2.000 20 30 FEEDLO Cc1cc[nH+]c(N2CCN([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)CC2)c1 ZINC000120064482 543674856 /nfs/dbraw/zinc/67/48/56/543674856.db2.gz HHYWUHLCQYEKTO-LJQANCHMSA-N 1 2 361.449 2.189 20 30 FEEDLO CCC[N@H+](CC(=O)NC)CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000120180479 543676799 /nfs/dbraw/zinc/67/67/99/543676799.db2.gz GQQPXKGQITZBRR-CQSZACIVSA-N 1 2 362.499 2.477 20 30 FEEDLO CCC[N@@H+](CC(=O)NC)CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000120180479 543676803 /nfs/dbraw/zinc/67/68/03/543676803.db2.gz GQQPXKGQITZBRR-CQSZACIVSA-N 1 2 362.499 2.477 20 30 FEEDLO COc1cc(OC)c(OC)cc1C[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000122939998 543733096 /nfs/dbraw/zinc/73/30/96/543733096.db2.gz LLUGFBITAHIQFG-UHFFFAOYSA-N 1 2 368.437 2.301 20 30 FEEDLO C[C@@H](CNS(=O)(=O)c1c(F)cc(C#N)cc1F)[N@@H+]1CCC[C@H](C)C1 ZINC000124251186 543809979 /nfs/dbraw/zinc/80/99/79/543809979.db2.gz GDYLMQWRBGPVNB-RYUDHWBXSA-N 1 2 357.426 2.235 20 30 FEEDLO C[C@@H](CNS(=O)(=O)c1c(F)cc(C#N)cc1F)[N@H+]1CCC[C@H](C)C1 ZINC000124251186 543809981 /nfs/dbraw/zinc/80/99/81/543809981.db2.gz GDYLMQWRBGPVNB-RYUDHWBXSA-N 1 2 357.426 2.235 20 30 FEEDLO N#Cc1cccc(C(=O)NCc2ccccc2OCC[NH+]2CCOCC2)c1 ZINC000124726657 543838909 /nfs/dbraw/zinc/83/89/09/543838909.db2.gz QDWSCLSTNVQAKH-UHFFFAOYSA-N 1 2 365.433 2.199 20 30 FEEDLO N#Cc1ccc(NC(=O)CN2CC[NH+](Cc3cccnc3)CC2)cc1Cl ZINC000125283195 543872551 /nfs/dbraw/zinc/87/25/51/543872551.db2.gz RPVSTAHXKQNGKQ-UHFFFAOYSA-N 1 2 369.856 2.363 20 30 FEEDLO N#Cc1ccc([C@@H](O)C[NH+]2CCN(C(=O)Cc3ccccc3F)CC2)cc1 ZINC000127308877 543984734 /nfs/dbraw/zinc/98/47/34/543984734.db2.gz GSFHVKBWRMIDTH-FQEVSTJZSA-N 1 2 367.424 2.118 20 30 FEEDLO C[C@H](C(=O)NC1CCC(C)CC1)[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000127488820 543996168 /nfs/dbraw/zinc/99/61/68/543996168.db2.gz OBRHOQJKDOCRHE-UPTPFMHGSA-N 1 2 355.486 2.159 20 30 FEEDLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(CC#Cc2ccc(Cl)cc2)CC1 ZINC000130330487 544146972 /nfs/dbraw/zinc/14/69/72/544146972.db2.gz OCDNHIIAXZHNTN-QGZVFWFLSA-N 1 2 359.901 2.320 20 30 FEEDLO C=C(C)COCCNC(=O)N1CC[NH+](Cc2ccc(OC)c(F)c2)CC1 ZINC000135027396 544331606 /nfs/dbraw/zinc/33/16/06/544331606.db2.gz NDHVWEOVXOAQKH-UHFFFAOYSA-N 1 2 365.449 2.254 20 30 FEEDLO N#Cc1ccc([C@H]([NH2+][C@H]2CCN(c3ccc(Cl)cc3)C2=O)C(N)=O)cc1 ZINC000151847909 544587108 /nfs/dbraw/zinc/58/71/08/544587108.db2.gz HHWBMUCIKXJGSW-IRXDYDNUSA-N 1 2 368.824 2.133 20 30 FEEDLO N#CCC[C@@H](NC(=O)C[NH+]1CCN(c2ccccn2)CC1)c1ccccc1 ZINC000153346197 544764945 /nfs/dbraw/zinc/76/49/45/544764945.db2.gz YKFZWKITDFIBQW-LJQANCHMSA-N 1 2 363.465 2.365 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)Nc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000153926693 544841345 /nfs/dbraw/zinc/84/13/45/544841345.db2.gz VIWXRJNADASDPH-UHFFFAOYSA-N 1 2 357.435 2.191 20 30 FEEDLO COc1ccc(C#N)cc1C[N@@H+](CC(=O)N1CCCC1)C[C@@H]1CCCO1 ZINC000154144970 544870619 /nfs/dbraw/zinc/87/06/19/544870619.db2.gz ZBPZJQVFQAFMRN-SFHVURJKSA-N 1 2 357.454 2.170 20 30 FEEDLO COc1ccc(C#N)cc1C[N@H+](CC(=O)N1CCCC1)C[C@@H]1CCCO1 ZINC000154144970 544870624 /nfs/dbraw/zinc/87/06/24/544870624.db2.gz ZBPZJQVFQAFMRN-SFHVURJKSA-N 1 2 357.454 2.170 20 30 FEEDLO Cn1cc(C[N@H+](C)CC(=O)Nc2ccc(C#N)cc2)c(C(F)(F)F)n1 ZINC000155112691 544991746 /nfs/dbraw/zinc/99/17/46/544991746.db2.gz CJCQTBXEJLTRLM-UHFFFAOYSA-N 1 2 351.332 2.381 20 30 FEEDLO Cn1cc(C[N@@H+](C)CC(=O)Nc2ccc(C#N)cc2)c(C(F)(F)F)n1 ZINC000155112691 544991750 /nfs/dbraw/zinc/99/17/50/544991750.db2.gz CJCQTBXEJLTRLM-UHFFFAOYSA-N 1 2 351.332 2.381 20 30 FEEDLO C[N@@H+]1CC[C@H](NC(=O)C(=O)NCCCCC#N)[C@H]1c1ccc(Cl)cc1 ZINC000553268927 674249650 /nfs/dbraw/zinc/24/96/50/674249650.db2.gz GCWCTWTUKSRWGI-JKSUJKDBSA-N 1 2 362.861 2.011 20 30 FEEDLO C[N@H+]1CC[C@H](NC(=O)C(=O)NCCCCC#N)[C@H]1c1ccc(Cl)cc1 ZINC000553268927 674249653 /nfs/dbraw/zinc/24/96/53/674249653.db2.gz GCWCTWTUKSRWGI-JKSUJKDBSA-N 1 2 362.861 2.011 20 30 FEEDLO Cc1ccsc1C[NH+]1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000179759380 327659036 /nfs/dbraw/zinc/65/90/36/327659036.db2.gz ABQUZJVHZBOBAJ-UHFFFAOYSA-N 1 2 361.492 2.435 20 30 FEEDLO CC(C)[NH+]1CCN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000083537168 325218833 /nfs/dbraw/zinc/21/88/33/325218833.db2.gz KBNBEAIXDZQDDU-UHFFFAOYSA-N 1 2 361.389 2.292 20 30 FEEDLO Cc1csc(N2CC[NH+]([C@H]3CCN(c4ccc(C#N)cc4)C3=O)CC2)n1 ZINC000101544433 325470658 /nfs/dbraw/zinc/47/06/58/325470658.db2.gz NWRNAADWHXMNEJ-KRWDZBQOSA-N 1 2 367.478 2.251 20 30 FEEDLO C[C@@H](Oc1ccccc1C#N)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000110956131 325697652 /nfs/dbraw/zinc/69/76/52/325697652.db2.gz RNJGNRYHIJZNBZ-AEFFLSMTSA-N 1 2 357.454 2.039 20 30 FEEDLO N#Cc1ccc(-c2cnc(C[N@@H+](CCC(F)(F)F)C[C@H](O)CO)o2)cc1 ZINC000122164693 326386261 /nfs/dbraw/zinc/38/62/61/326386261.db2.gz FVQQZOZGKIPDBL-AWEZNQCLSA-N 1 2 369.343 2.321 20 30 FEEDLO N#Cc1ccc(-c2cnc(C[N@H+](CCC(F)(F)F)C[C@H](O)CO)o2)cc1 ZINC000122164693 326386263 /nfs/dbraw/zinc/38/62/63/326386263.db2.gz FVQQZOZGKIPDBL-AWEZNQCLSA-N 1 2 369.343 2.321 20 30 FEEDLO N#Cc1cccc(CS(=O)(=O)N[C@H]2CCCN(c3cccc[nH+]3)C2)c1 ZINC000166141853 327080624 /nfs/dbraw/zinc/08/06/24/327080624.db2.gz GMYYQMNKRGDSFN-KRWDZBQOSA-N 1 2 356.451 2.042 20 30 FEEDLO N#Cc1ccc(N2CC[NH+](Cc3cc(=O)n4ccccc4n3)CC2)c(F)c1 ZINC000170639474 327090087 /nfs/dbraw/zinc/09/00/87/327090087.db2.gz FWDXPHFEHKJIAG-UHFFFAOYSA-N 1 2 363.396 2.027 20 30 FEEDLO Cc1cc(C#N)ccc1S(=O)(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000172672085 327214249 /nfs/dbraw/zinc/21/42/49/327214249.db2.gz YKKMXDQPJSREFM-HUUCEWRRSA-N 1 2 365.499 2.033 20 30 FEEDLO CCOC(=O)N1CCC[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)CC1 ZINC000173594031 327269768 /nfs/dbraw/zinc/26/97/68/327269768.db2.gz HUOPHBMLTWYYMI-UHFFFAOYSA-N 1 2 355.398 2.272 20 30 FEEDLO CCOC(=O)N1CCC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)CC1 ZINC000173594031 327269769 /nfs/dbraw/zinc/26/97/69/327269769.db2.gz HUOPHBMLTWYYMI-UHFFFAOYSA-N 1 2 355.398 2.272 20 30 FEEDLO N#Cc1ccc(OC[C@@H](O)C[NH+]2CCN(c3cc(F)ccc3F)CC2)cc1 ZINC000175428493 327392219 /nfs/dbraw/zinc/39/22/19/327392219.db2.gz JWJYBWIUPDZUEV-KRWDZBQOSA-N 1 2 373.403 2.398 20 30 FEEDLO CCN(C(=O)C[NH+]1CCN(c2ncccc2C#N)CC1)C1CCCCC1 ZINC000249689251 328776995 /nfs/dbraw/zinc/77/69/95/328776995.db2.gz JJDNXGCUHIBBBY-UHFFFAOYSA-N 1 2 355.486 2.256 20 30 FEEDLO Cc1ccc(C#N)cc1S(=O)(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000265176191 329099220 /nfs/dbraw/zinc/09/92/20/329099220.db2.gz ZMKUBFNJUYVZIB-UHFFFAOYSA-N 1 2 356.451 2.340 20 30 FEEDLO N#Cc1ccc(-c2nnc(C[N@H+]3CCC[C@@H]3[C@H](O)C(F)(F)F)o2)cc1 ZINC000266546156 329235040 /nfs/dbraw/zinc/23/50/40/329235040.db2.gz RNPOOCJHVNASFX-OCCSQVGLSA-N 1 2 352.316 2.496 20 30 FEEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3CCC[C@@H]3[C@H](O)C(F)(F)F)o2)cc1 ZINC000266546156 329235042 /nfs/dbraw/zinc/23/50/42/329235042.db2.gz RNPOOCJHVNASFX-OCCSQVGLSA-N 1 2 352.316 2.496 20 30 FEEDLO C[C@@H](C(=O)c1c[nH]c2ncccc12)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000271206644 329672991 /nfs/dbraw/zinc/67/29/91/329672991.db2.gz GJUOAGFNJVTFCP-AWEZNQCLSA-N 1 2 360.421 2.223 20 30 FEEDLO COc1ccc(C[N@@H+]2CCC[C@H]2C(=O)NCC2CCOCC2)cc1C#N ZINC000367244117 330235343 /nfs/dbraw/zinc/23/53/43/330235343.db2.gz OHMSJYHMSVXSDY-SFHVURJKSA-N 1 2 357.454 2.074 20 30 FEEDLO COc1ccc(C[N@H+]2CCC[C@H]2C(=O)NCC2CCOCC2)cc1C#N ZINC000367244117 330235345 /nfs/dbraw/zinc/23/53/45/330235345.db2.gz OHMSJYHMSVXSDY-SFHVURJKSA-N 1 2 357.454 2.074 20 30 FEEDLO Cc1[nH]c(C#N)cc1C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000448632356 330279684 /nfs/dbraw/zinc/27/96/84/330279684.db2.gz IXHHDRWCDDPKTA-UHFFFAOYSA-N 1 2 365.437 2.028 20 30 FEEDLO N#Cc1ccc(OCCNC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000158327437 518196617 /nfs/dbraw/zinc/19/66/17/518196617.db2.gz WBBFHSBWVMSSLS-GOSISDBHSA-N 1 2 352.394 2.195 20 30 FEEDLO Cc1nc(C[N@@H+](C)[C@@H]2CCCN(C(=O)NCCn3cccc3)CC2)no1 ZINC000328625164 526844620 /nfs/dbraw/zinc/84/46/20/526844620.db2.gz CVEFRNZPGLJOCL-MRXNPFEDSA-N 1 2 360.462 2.080 20 30 FEEDLO Cc1nc(C[N@H+](C)[C@@H]2CCCN(C(=O)NCCn3cccc3)CC2)no1 ZINC000328625164 526844623 /nfs/dbraw/zinc/84/46/23/526844623.db2.gz CVEFRNZPGLJOCL-MRXNPFEDSA-N 1 2 360.462 2.080 20 30 FEEDLO C[C@@H](NC(=O)c1occc1COc1cccc(C#N)c1)[C@H]1C[N@H+](C)CCO1 ZINC000157692409 545770946 /nfs/dbraw/zinc/77/09/46/545770946.db2.gz XRHSGJUWDATLSA-RDTXWAMCSA-N 1 2 369.421 2.179 20 30 FEEDLO C[C@@H](NC(=O)c1occc1COc1cccc(C#N)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000157692409 545770950 /nfs/dbraw/zinc/77/09/50/545770950.db2.gz XRHSGJUWDATLSA-RDTXWAMCSA-N 1 2 369.421 2.179 20 30 FEEDLO C[C@H](O[NH+]=C(N)c1ccc2c(c1)CCO2)C(=O)NCCc1cccs1 ZINC000158228659 545837929 /nfs/dbraw/zinc/83/79/29/545837929.db2.gz UGEMUIJNROMCMM-LBPRGKRZSA-N 1 2 359.451 2.067 20 30 FEEDLO Cc1nc(C[N@@H+](C)[C@H]2CCCN(C(=O)c3ccc(C#N)s3)CC2)no1 ZINC000478379928 561165393 /nfs/dbraw/zinc/16/53/93/561165393.db2.gz QRECGRLTTKCYFW-ZDUSSCGKSA-N 1 2 359.455 2.438 20 30 FEEDLO Cc1nc(C[N@H+](C)[C@H]2CCCN(C(=O)c3ccc(C#N)s3)CC2)no1 ZINC000478379928 561165394 /nfs/dbraw/zinc/16/53/94/561165394.db2.gz QRECGRLTTKCYFW-ZDUSSCGKSA-N 1 2 359.455 2.438 20 30 FEEDLO Cc1ncc(C[NH+]2CCN(C(=O)CNc3cccc(C#N)c3)CC2)s1 ZINC000159621104 545966982 /nfs/dbraw/zinc/96/69/82/545966982.db2.gz BPIICXLPLCFJQC-UHFFFAOYSA-N 1 2 355.467 2.080 20 30 FEEDLO Cc1nc2cc(F)ccc2cc1C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000161684381 546132657 /nfs/dbraw/zinc/13/26/57/546132657.db2.gz UWWVLVLQOWOZEH-UHFFFAOYSA-N 1 2 370.428 2.370 20 30 FEEDLO C=CCn1c(SC[C@H](O)C[NH+]2CCOCC2)nnc1-c1ccccc1C ZINC000163575854 546146018 /nfs/dbraw/zinc/14/60/18/546146018.db2.gz DGSUCYHJBHRRPH-MRXNPFEDSA-N 1 2 374.510 2.225 20 30 FEEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN(Cc2ccc(Br)cc2)CC1 ZINC000163981765 546149054 /nfs/dbraw/zinc/14/90/54/546149054.db2.gz QJVHUTMVNCJZRU-CQSZACIVSA-N 1 2 366.303 2.257 20 30 FEEDLO CCN(C[C@H](C)C#N)C(=O)CN1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000165867063 546154539 /nfs/dbraw/zinc/15/45/39/546154539.db2.gz GHLVAIZXKKOZKF-MRXNPFEDSA-N 1 2 362.905 2.466 20 30 FEEDLO CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCN(Cc2ccccc2Cl)CC1 ZINC000165867063 546154542 /nfs/dbraw/zinc/15/45/42/546154542.db2.gz GHLVAIZXKKOZKF-MRXNPFEDSA-N 1 2 362.905 2.466 20 30 FEEDLO CC[C@@H](C)NC(=O)CO[NH+]=C(N)c1ccc(OCc2cccnc2)cc1 ZINC000171093859 546189682 /nfs/dbraw/zinc/18/96/82/546189682.db2.gz WDZRWIZIXJLJFA-CQSZACIVSA-N 1 2 356.426 2.212 20 30 FEEDLO Cc1nc(CC(N)=[NH+]O[C@@H](C)C(=O)N[C@H]2CCOc3ccccc32)cs1 ZINC000174113599 546291892 /nfs/dbraw/zinc/29/18/92/546291892.db2.gz HVACCWLVDWTECD-NHYWBVRUSA-N 1 2 374.466 2.311 20 30 FEEDLO COc1cccc(-c2noc([C@H](C)[NH2+][C@@H](C)C(=O)N(C)CCC#N)n2)c1 ZINC000174325106 546294815 /nfs/dbraw/zinc/29/48/15/546294815.db2.gz YYQWQGCWZPASKN-STQMWFEESA-N 1 2 357.414 2.156 20 30 FEEDLO CNC(=O)CC1CC[NH+](CC(=O)Nc2ccccc2SCC#N)CC1 ZINC000175015808 546305902 /nfs/dbraw/zinc/30/59/02/546305902.db2.gz NLVHIVQBZSVQNB-UHFFFAOYSA-N 1 2 360.483 2.089 20 30 FEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[NH+]1CCC(CN2CCCCC2=O)CC1 ZINC000177082183 546541386 /nfs/dbraw/zinc/54/13/86/546541386.db2.gz KFOWPNDSVYURIB-FQEVSTJZSA-N 1 2 369.465 2.497 20 30 FEEDLO C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCCNc2cccc[nH+]2)cc1 ZINC000481010926 561222857 /nfs/dbraw/zinc/22/28/57/561222857.db2.gz JYCZUAXMCKWKAA-ZDUSSCGKSA-N 1 2 373.438 2.001 20 30 FEEDLO CC(=O)N[C@@H](C)C1CC[NH+](CC(=O)Nc2ccccc2SCC#N)CC1 ZINC000481156185 561226585 /nfs/dbraw/zinc/22/65/85/561226585.db2.gz LQDFSMOBKDIFIF-AWEZNQCLSA-N 1 2 374.510 2.477 20 30 FEEDLO Cc1c(C#N)cccc1NC(=O)C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000178415913 546789904 /nfs/dbraw/zinc/78/99/04/546789904.db2.gz ZUQZAKOVVISUBF-UHFFFAOYSA-N 1 2 363.421 2.117 20 30 FEEDLO Cc1c(C#N)cccc1NC(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000178555236 546811758 /nfs/dbraw/zinc/81/17/58/546811758.db2.gz BHMXVIIYIPEVON-UHFFFAOYSA-N 1 2 351.410 2.420 20 30 FEEDLO Cc1ccc(C[N@H+](CCO)[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)o1 ZINC000483173483 561269340 /nfs/dbraw/zinc/26/93/40/561269340.db2.gz HELYDICHLMQMLI-IBGZPJMESA-N 1 2 353.422 2.450 20 30 FEEDLO Cc1ccc(C[N@@H+](CCO)[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)o1 ZINC000483173483 561269341 /nfs/dbraw/zinc/26/93/41/561269341.db2.gz HELYDICHLMQMLI-IBGZPJMESA-N 1 2 353.422 2.450 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC(C)(C)O[C@@]2(CCCOC2)C1 ZINC000483351059 561274672 /nfs/dbraw/zinc/27/46/72/561274672.db2.gz FPEMZXVSVNLVET-LZQZEXGQSA-N 1 2 351.491 2.089 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC(C)(C)O[C@@]2(CCCOC2)C1 ZINC000483351059 561274673 /nfs/dbraw/zinc/27/46/73/561274673.db2.gz FPEMZXVSVNLVET-LZQZEXGQSA-N 1 2 351.491 2.089 20 30 FEEDLO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)NCc3cn4ccccc4[nH+]3)C2)n1 ZINC000483783254 561283982 /nfs/dbraw/zinc/28/39/82/561283982.db2.gz JLQCNAKLLAPETM-KRWDZBQOSA-N 1 2 374.448 2.442 20 30 FEEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3cccc4n[nH]nc43)CC2)cc1 ZINC000182687091 547533647 /nfs/dbraw/zinc/53/36/47/547533647.db2.gz NSLLKGSYXRNVIQ-UHFFFAOYSA-N 1 2 360.421 2.178 20 30 FEEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cccc4n[nH]nc43)CC2)cc1 ZINC000182687091 547533653 /nfs/dbraw/zinc/53/36/53/547533653.db2.gz NSLLKGSYXRNVIQ-UHFFFAOYSA-N 1 2 360.421 2.178 20 30 FEEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3cccc4nn[nH]c43)CC2)cc1 ZINC000182687091 547533656 /nfs/dbraw/zinc/53/36/56/547533656.db2.gz NSLLKGSYXRNVIQ-UHFFFAOYSA-N 1 2 360.421 2.178 20 30 FEEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cccc4nn[nH]c43)CC2)cc1 ZINC000182687091 547533661 /nfs/dbraw/zinc/53/36/61/547533661.db2.gz NSLLKGSYXRNVIQ-UHFFFAOYSA-N 1 2 360.421 2.178 20 30 FEEDLO Cc1occc1C[N@H+](C)CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 ZINC000182699827 547536941 /nfs/dbraw/zinc/53/69/41/547536941.db2.gz FOJUDIRDYHKKML-KRWDZBQOSA-N 1 2 372.494 2.490 20 30 FEEDLO Cc1occc1C[N@@H+](C)CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 ZINC000182699827 547536945 /nfs/dbraw/zinc/53/69/45/547536945.db2.gz FOJUDIRDYHKKML-KRWDZBQOSA-N 1 2 372.494 2.490 20 30 FEEDLO COc1c(C)c[nH+]c(CN(C)C(=O)C(=O)Nc2ccc(C#N)cc2)c1C ZINC000182719344 547540348 /nfs/dbraw/zinc/54/03/48/547540348.db2.gz KZWCNTBDDFQORJ-UHFFFAOYSA-N 1 2 352.394 2.176 20 30 FEEDLO COc1cccc(-c2noc([C@H](C)[NH2+]CC(=O)N[C@@](C)(C#N)C3CC3)n2)c1 ZINC000185120169 547935461 /nfs/dbraw/zinc/93/54/61/547935461.db2.gz SAHFOXMVONZXKG-BUXKBTBVSA-N 1 2 369.425 2.204 20 30 FEEDLO C[C@](C#N)(NC(=O)C[NH+]1CCC(O)(c2c(F)cccc2F)CC1)C1CC1 ZINC000186493755 548143182 /nfs/dbraw/zinc/14/31/82/548143182.db2.gz VOHMOEMIAOILGT-GOSISDBHSA-N 1 2 363.408 2.057 20 30 FEEDLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)N(C)[C@@H](C)CC#N)CC1 ZINC000186869785 548208928 /nfs/dbraw/zinc/20/89/28/548208928.db2.gz IRSKZQIQVBTPDD-HNNXBMFYSA-N 1 2 357.458 2.117 20 30 FEEDLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(CCC#N)Cc1ccco1 ZINC000486057904 561337054 /nfs/dbraw/zinc/33/70/54/561337054.db2.gz ILPIRIMTTXMTTE-KRWDZBQOSA-N 1 2 371.441 2.019 20 30 FEEDLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(CCC#N)Cc1ccco1 ZINC000486057904 561337055 /nfs/dbraw/zinc/33/70/55/561337055.db2.gz ILPIRIMTTXMTTE-KRWDZBQOSA-N 1 2 371.441 2.019 20 30 FEEDLO C=C(C)COc1cc(C[N@H+]2CCCN(CCOC)C(=O)C2)ccc1OC ZINC000191696024 548349271 /nfs/dbraw/zinc/34/92/71/548349271.db2.gz JUDUMCWKSSYPQO-UHFFFAOYSA-N 1 2 362.470 2.331 20 30 FEEDLO C=C(C)COc1cc(C[N@@H+]2CCCN(CCOC)C(=O)C2)ccc1OC ZINC000191696024 548349275 /nfs/dbraw/zinc/34/92/75/548349275.db2.gz JUDUMCWKSSYPQO-UHFFFAOYSA-N 1 2 362.470 2.331 20 30 FEEDLO N#Cc1ccc(C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)s1 ZINC000486617759 561352389 /nfs/dbraw/zinc/35/23/89/561352389.db2.gz UKEDFHMXVIHSTF-UHFFFAOYSA-N 1 2 368.462 2.453 20 30 FEEDLO CCN(CC(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1)C[C@@H](C)C#N ZINC000195434672 548640106 /nfs/dbraw/zinc/64/01/06/548640106.db2.gz SAWWVYMXSCXODL-INIZCTEOSA-N 1 2 362.905 2.466 20 30 FEEDLO Cc1nc(N2CC[NH+](CC(=O)N[C@H]3CCC[C@@H](C)C3)CC2)ccc1C#N ZINC000488069964 561382778 /nfs/dbraw/zinc/38/27/78/561382778.db2.gz OMRAAJLCAIFAEO-QAPCUYQASA-N 1 2 355.486 2.079 20 30 FEEDLO CC[N@H+](CC(=O)Nc1ccccc1OC)[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000488527027 561391378 /nfs/dbraw/zinc/39/13/78/561391378.db2.gz HWDBYHOBZKPWOX-QRWLVFNGSA-N 1 2 374.485 2.399 20 30 FEEDLO CC[N@@H+](CC(=O)Nc1ccccc1OC)[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000488527027 561391379 /nfs/dbraw/zinc/39/13/79/561391379.db2.gz HWDBYHOBZKPWOX-QRWLVFNGSA-N 1 2 374.485 2.399 20 30 FEEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+](C)[C@H]1CCN(c2ccccc2F)C1=O ZINC000246596007 549170939 /nfs/dbraw/zinc/17/09/39/549170939.db2.gz PNMVRKFLUIWVFX-YJBOKZPZSA-N 1 2 359.445 2.452 20 30 FEEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+](C)[C@H]1CCN(c2ccccc2F)C1=O ZINC000246596007 549170941 /nfs/dbraw/zinc/17/09/41/549170941.db2.gz PNMVRKFLUIWVFX-YJBOKZPZSA-N 1 2 359.445 2.452 20 30 FEEDLO C=CCCCCC[NH+]1CCC(NS(=O)(=O)NCC(F)(F)F)CC1 ZINC000489044264 561402096 /nfs/dbraw/zinc/40/20/96/561402096.db2.gz PIRGWVOLMKDMDX-UHFFFAOYSA-N 1 2 357.442 2.184 20 30 FEEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1)C1CC1 ZINC000248411568 549431556 /nfs/dbraw/zinc/43/15/56/549431556.db2.gz DVACTZJRYRTAGX-CZUORRHYSA-N 1 2 369.391 2.347 20 30 FEEDLO C[C@](C#N)(NC(=O)C[N@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1)C1CC1 ZINC000248411568 549431558 /nfs/dbraw/zinc/43/15/58/549431558.db2.gz DVACTZJRYRTAGX-CZUORRHYSA-N 1 2 369.391 2.347 20 30 FEEDLO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000248876326 549520382 /nfs/dbraw/zinc/52/03/82/549520382.db2.gz VZFPIJTTXDCSEJ-ZOBUZTSGSA-N 1 2 352.394 2.382 20 30 FEEDLO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000248876326 549520383 /nfs/dbraw/zinc/52/03/83/549520383.db2.gz VZFPIJTTXDCSEJ-ZOBUZTSGSA-N 1 2 352.394 2.382 20 30 FEEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000249029159 549540608 /nfs/dbraw/zinc/54/06/08/549540608.db2.gz SFDFNXAINTVZBF-QAPCUYQASA-N 1 2 350.484 2.143 20 30 FEEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC000249029159 549540612 /nfs/dbraw/zinc/54/06/12/549540612.db2.gz SFDFNXAINTVZBF-QAPCUYQASA-N 1 2 350.484 2.143 20 30 FEEDLO C=C1CC[NH+](CC(=O)N(CCOC)CC(=O)Nc2c(C)cccc2C)CC1 ZINC000264575067 549998526 /nfs/dbraw/zinc/99/85/26/549998526.db2.gz WDLBNFYDURKYTR-UHFFFAOYSA-N 1 2 373.497 2.369 20 30 FEEDLO CCOC[C@H]1CCC[N@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000265070615 550005759 /nfs/dbraw/zinc/00/57/59/550005759.db2.gz PBKUALXVGJYUSH-GOEBONIOSA-N 1 2 368.437 2.260 20 30 FEEDLO CCOC[C@H]1CCC[N@@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000265070615 550005762 /nfs/dbraw/zinc/00/57/62/550005762.db2.gz PBKUALXVGJYUSH-GOEBONIOSA-N 1 2 368.437 2.260 20 30 FEEDLO COc1cc(C(N)=[NH+]OCc2nc([C@@H](C)OC)no2)cc(Cl)c1OC ZINC000266990401 550026611 /nfs/dbraw/zinc/02/66/11/550026611.db2.gz AVADHXWOSZTFNF-MRVPVSSYSA-N 1 2 370.793 2.285 20 30 FEEDLO C=CCOc1cccc(NC(=O)C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000267361284 550030093 /nfs/dbraw/zinc/03/00/93/550030093.db2.gz LBKBAPULGYKBME-CQSZACIVSA-N 1 2 354.410 2.319 20 30 FEEDLO CCOc1cccc(CNC(=O)CO[NH+]=C(N)c2cccc(OC)c2)c1 ZINC000268583272 550089965 /nfs/dbraw/zinc/08/99/65/550089965.db2.gz NBJXYRTYGGWTOK-UHFFFAOYSA-N 1 2 357.410 2.047 20 30 FEEDLO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)C#Cc1ccc2c(c1)OCO2 ZINC000268589491 550090485 /nfs/dbraw/zinc/09/04/85/550090485.db2.gz UTHFDQRWFYHLRE-UHFFFAOYSA-N 1 2 365.311 2.184 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCCC3(C2)OCCO3)c1 ZINC000269814100 550227632 /nfs/dbraw/zinc/22/76/32/550227632.db2.gz CNHDSCVDUSJBPS-UHFFFAOYSA-N 1 2 357.454 2.389 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCCC3(C2)OCCO3)c1 ZINC000269814100 550227634 /nfs/dbraw/zinc/22/76/34/550227634.db2.gz CNHDSCVDUSJBPS-UHFFFAOYSA-N 1 2 357.454 2.389 20 30 FEEDLO Cc1ncc(CO)c(/C=[NH+]/C[C@H]2CC(=O)N(Cc3ccccc3)C2)c1O ZINC000270420854 550270748 /nfs/dbraw/zinc/27/07/48/550270748.db2.gz LBTPDNMJKDPNAQ-PPAWOMOGSA-N 1 2 353.422 2.056 20 30 FEEDLO CO[C@@H](C)c1noc(C[N@@H+]2CCCN(c3nc(C)ccc3C#N)CC2)n1 ZINC000271008750 550331161 /nfs/dbraw/zinc/33/11/61/550331161.db2.gz XFXCPCDYPTUSDD-AWEZNQCLSA-N 1 2 356.430 2.064 20 30 FEEDLO CO[C@@H](C)c1noc(C[N@H+]2CCCN(c3nc(C)ccc3C#N)CC2)n1 ZINC000271008750 550331162 /nfs/dbraw/zinc/33/11/62/550331162.db2.gz XFXCPCDYPTUSDD-AWEZNQCLSA-N 1 2 356.430 2.064 20 30 FEEDLO C[C@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@H]1CCCCO1 ZINC000272048700 550419082 /nfs/dbraw/zinc/41/90/82/550419082.db2.gz XLEAKIAUJMJECJ-QFBILLFUSA-N 1 2 356.470 2.343 20 30 FEEDLO CC1(C#N)CCN(C(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)CC1 ZINC000272375771 550442124 /nfs/dbraw/zinc/44/21/24/550442124.db2.gz FMRGJYSSCHMMMI-SFHVURJKSA-N 1 2 356.470 2.395 20 30 FEEDLO C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000272552101 550457825 /nfs/dbraw/zinc/45/78/25/550457825.db2.gz NOHMQOUBGQIIIO-UONOGXRCSA-N 1 2 367.409 2.045 20 30 FEEDLO CC1(C#N)CCN(C(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)CC1 ZINC000272700023 550465754 /nfs/dbraw/zinc/46/57/54/550465754.db2.gz YGEPSISDSKSRQD-IBGZPJMESA-N 1 2 370.497 2.265 20 30 FEEDLO C#CC[N@@H+](CC(=O)N(C)CC(=O)Nc1ccccc1C(F)(F)F)C1CC1 ZINC000274232289 550528981 /nfs/dbraw/zinc/52/89/81/550528981.db2.gz WTEQQUHGIQYESQ-UHFFFAOYSA-N 1 2 367.371 2.200 20 30 FEEDLO C#CC[N@H+](CC(=O)N(C)CC(=O)Nc1ccccc1C(F)(F)F)C1CC1 ZINC000274232289 550528983 /nfs/dbraw/zinc/52/89/83/550528983.db2.gz WTEQQUHGIQYESQ-UHFFFAOYSA-N 1 2 367.371 2.200 20 30 FEEDLO CO[C@@H](C)c1nc(C[N@@H+]2CCCN(c3cnc(C#N)cn3)CC2)cs1 ZINC000274699937 550549771 /nfs/dbraw/zinc/54/97/71/550549771.db2.gz PIJRUNVKTAKQQG-ZDUSSCGKSA-N 1 2 358.471 2.224 20 30 FEEDLO CO[C@@H](C)c1nc(C[N@H+]2CCCN(c3cnc(C#N)cn3)CC2)cs1 ZINC000274699937 550549773 /nfs/dbraw/zinc/54/97/73/550549773.db2.gz PIJRUNVKTAKQQG-ZDUSSCGKSA-N 1 2 358.471 2.224 20 30 FEEDLO C#CCN(C(=O)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)C1CC1 ZINC000276184297 550577356 /nfs/dbraw/zinc/57/73/56/550577356.db2.gz MHQRQGQUCGIRQB-UHFFFAOYSA-N 1 2 360.417 2.165 20 30 FEEDLO CC1CCN(c2ccc(CNS(=O)(=O)c3cccnc3C#N)c[nH+]2)CC1 ZINC000277045046 550625528 /nfs/dbraw/zinc/62/55/28/550625528.db2.gz PREWGBXHYDGZEH-UHFFFAOYSA-N 1 2 371.466 2.063 20 30 FEEDLO C#CCC(CC#C)C(=O)N[C@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1 ZINC000277310274 550654914 /nfs/dbraw/zinc/65/49/14/550654914.db2.gz FBDYMIVFEVKYSX-IBGZPJMESA-N 1 2 365.433 2.306 20 30 FEEDLO CC(C)[N@H+](Cc1nnnn1CC1CCOCC1)Cc1ccc(C#N)cc1 ZINC000277687821 550701593 /nfs/dbraw/zinc/70/15/93/550701593.db2.gz KYIQENFSNGQQFK-UHFFFAOYSA-N 1 2 354.458 2.382 20 30 FEEDLO CC(C)[N@@H+](Cc1nnnn1CC1CCOCC1)Cc1ccc(C#N)cc1 ZINC000277687821 550701595 /nfs/dbraw/zinc/70/15/95/550701595.db2.gz KYIQENFSNGQQFK-UHFFFAOYSA-N 1 2 354.458 2.382 20 30 FEEDLO N#Cc1cc(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)ccc1F ZINC000279237478 550868355 /nfs/dbraw/zinc/86/83/55/550868355.db2.gz REVIPGYLGCHLHF-GOSISDBHSA-N 1 2 353.397 2.328 20 30 FEEDLO N#Cc1cc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)ccc1F ZINC000279237478 550868356 /nfs/dbraw/zinc/86/83/56/550868356.db2.gz REVIPGYLGCHLHF-GOSISDBHSA-N 1 2 353.397 2.328 20 30 FEEDLO C#CCn1ccc(CN(CC)C(=O)NCc2cn3c(cccc3C)[nH+]2)n1 ZINC000279629245 550910305 /nfs/dbraw/zinc/91/03/05/550910305.db2.gz YMHSCXGHIGZUTJ-UHFFFAOYSA-N 1 2 350.426 2.204 20 30 FEEDLO CC(=O)c1ccccc1OCC[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000280341899 550982798 /nfs/dbraw/zinc/98/27/98/550982798.db2.gz BLAJBUWZOGAVEQ-UHFFFAOYSA-N 1 2 350.422 2.357 20 30 FEEDLO CC1(C)C[N@H+](CC(=O)N(CCC#N)c2ccccc2)C[C@]2(CCOC2)O1 ZINC000280636673 551016102 /nfs/dbraw/zinc/01/61/02/551016102.db2.gz XVMYXTGAQJNHHI-FQEVSTJZSA-N 1 2 357.454 2.203 20 30 FEEDLO CC1(C)C[N@@H+](CC(=O)N(CCC#N)c2ccccc2)C[C@]2(CCOC2)O1 ZINC000280636673 551016104 /nfs/dbraw/zinc/01/61/04/551016104.db2.gz XVMYXTGAQJNHHI-FQEVSTJZSA-N 1 2 357.454 2.203 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCC(c3nc(=O)[nH][nH]3)CC2)c(Br)c1 ZINC000281057152 551058926 /nfs/dbraw/zinc/05/89/26/551058926.db2.gz RKXHLYAEILUSTI-UHFFFAOYSA-N 1 2 362.231 2.112 20 30 FEEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cnc3ccc(Br)cn23)C1=O ZINC000281150288 551068372 /nfs/dbraw/zinc/06/83/72/551068372.db2.gz FJYIDLNEODMXTO-CQSZACIVSA-N 1 2 363.259 2.316 20 30 FEEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cnc3ccc(Br)cn23)C1=O ZINC000281150288 551068373 /nfs/dbraw/zinc/06/83/73/551068373.db2.gz FJYIDLNEODMXTO-CQSZACIVSA-N 1 2 363.259 2.316 20 30 FEEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)Nc2ccc(N3CCCCC3)cc2)C1=O ZINC000281219707 551075112 /nfs/dbraw/zinc/07/51/12/551075112.db2.gz DSLXXHWMZONTAL-IBGZPJMESA-N 1 2 370.497 2.334 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)Nc2ccc(N3CCCCC3)cc2)C1=O ZINC000281219707 551075114 /nfs/dbraw/zinc/07/51/14/551075114.db2.gz DSLXXHWMZONTAL-IBGZPJMESA-N 1 2 370.497 2.334 20 30 FEEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)N(CCC#N)c2cccc(C)c2C)C1=O ZINC000281462595 551100800 /nfs/dbraw/zinc/10/08/00/551100800.db2.gz VKZDWALCYKUCJQ-LJQANCHMSA-N 1 2 368.481 2.269 20 30 FEEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)N(CCC#N)c2cccc(C)c2C)C1=O ZINC000281462595 551100801 /nfs/dbraw/zinc/10/08/01/551100801.db2.gz VKZDWALCYKUCJQ-LJQANCHMSA-N 1 2 368.481 2.269 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)C(=O)Nc2nc3ccccc3s2)C1=O ZINC000281516582 551107776 /nfs/dbraw/zinc/10/77/76/551107776.db2.gz ZBYYLWWKKOQNRO-JSGCOSHPSA-N 1 2 358.467 2.342 20 30 FEEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)C(=O)Nc2nc3ccccc3s2)C1=O ZINC000281516582 551107778 /nfs/dbraw/zinc/10/77/78/551107778.db2.gz ZBYYLWWKKOQNRO-JSGCOSHPSA-N 1 2 358.467 2.342 20 30 FEEDLO N#Cc1cccnc1N1CC[NH+](C[C@H](O)COc2ccccc2Cl)CC1 ZINC000281920841 551158083 /nfs/dbraw/zinc/15/80/83/551158083.db2.gz WCFPOFAPLSVAMK-INIZCTEOSA-N 1 2 372.856 2.169 20 30 FEEDLO C=CCS(=O)(=O)CC[NH2+]Cc1c(F)ccc(Br)c1F ZINC000282061235 551175498 /nfs/dbraw/zinc/17/54/98/551175498.db2.gz PXUBCNCPBPYTDE-UHFFFAOYSA-N 1 2 354.216 2.418 20 30 FEEDLO CC(C)CO[C@@H](C)C(N)=[NH+]O[C@H](C)C(=O)N1CCc2sccc2C1 ZINC000283408085 551361498 /nfs/dbraw/zinc/36/14/98/551361498.db2.gz OOXVTOMFKBARFM-QWHCGFSZSA-N 1 2 353.488 2.371 20 30 FEEDLO C[N@@H+]1CCO[C@H]2CCN(Cc3cn(CCC#N)nc3-c3ccccc3)C[C@@H]21 ZINC000284233153 551506590 /nfs/dbraw/zinc/50/65/90/551506590.db2.gz DPKYMUQDNHAIDR-PMACEKPBSA-N 1 2 365.481 2.369 20 30 FEEDLO C[N@H+]1CCO[C@H]2CCN(Cc3cn(CCC#N)nc3-c3ccccc3)C[C@@H]21 ZINC000284233153 551506591 /nfs/dbraw/zinc/50/65/91/551506591.db2.gz DPKYMUQDNHAIDR-PMACEKPBSA-N 1 2 365.481 2.369 20 30 FEEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCO[C@]2(CCCOC2)C1 ZINC000285453620 551759187 /nfs/dbraw/zinc/75/91/87/551759187.db2.gz YRRUINRLZBBPLZ-SCLBCKFNSA-N 1 2 363.845 2.420 20 30 FEEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCO[C@]2(CCCOC2)C1 ZINC000285453620 551759188 /nfs/dbraw/zinc/75/91/88/551759188.db2.gz YRRUINRLZBBPLZ-SCLBCKFNSA-N 1 2 363.845 2.420 20 30 FEEDLO C[C@@H](C(=O)Nc1cccc(F)c1)[NH+]1CCN(c2ccnc(C#N)c2)CC1 ZINC000286253174 551866226 /nfs/dbraw/zinc/86/62/26/551866226.db2.gz IWODPDKKRZFPKY-AWEZNQCLSA-N 1 2 353.401 2.242 20 30 FEEDLO C=CCC[C@H](NC(=O)C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1)c1ccccc1 ZINC000286594090 551903880 /nfs/dbraw/zinc/90/38/80/551903880.db2.gz OKYQRIZEPADMLX-LNLFQRSKSA-N 1 2 373.497 2.036 20 30 FEEDLO C[C@H](C#N)Oc1ccccc1NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000287099041 551963369 /nfs/dbraw/zinc/96/33/69/551963369.db2.gz KRIUIKHXFMZNDJ-OAGGEKHMSA-N 1 2 358.442 2.304 20 30 FEEDLO C=CCCCNC(=O)C(=O)N1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000288620499 552186313 /nfs/dbraw/zinc/18/63/13/552186313.db2.gz QIIDLDLWVOQRGB-INIZCTEOSA-N 1 2 354.454 2.418 20 30 FEEDLO Cc1ccc(C#N)c(NCC[NH+]2CCN(C(=O)C3CCCCC3)CC2)n1 ZINC000500290164 561569565 /nfs/dbraw/zinc/56/95/65/561569565.db2.gz PCKSKWFCAOOBJK-UHFFFAOYSA-N 1 2 355.486 2.398 20 30 FEEDLO CC[C@](C)([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)c1nccs1 ZINC000289931196 552401468 /nfs/dbraw/zinc/40/14/68/552401468.db2.gz OIUQRILOCPSZQT-HNNXBMFYSA-N 1 2 350.469 2.098 20 30 FEEDLO N#Cc1ccc(N2CC[C@@H]([N@@H+]3CC[C@H](n4cc(Cl)cn4)C3)C2=O)cc1 ZINC000289965866 552406903 /nfs/dbraw/zinc/40/69/03/552406903.db2.gz QVOSOUHDNPHJHH-DLBZAZTESA-N 1 2 355.829 2.460 20 30 FEEDLO N#Cc1ccc(N2CC[C@@H]([N@H+]3CC[C@H](n4cc(Cl)cn4)C3)C2=O)cc1 ZINC000289965866 552406904 /nfs/dbraw/zinc/40/69/04/552406904.db2.gz QVOSOUHDNPHJHH-DLBZAZTESA-N 1 2 355.829 2.460 20 30 FEEDLO C[C@@H](Cn1cc[nH+]c1)Nc1ccc(C#N)c(N[C@@H](C)Cn2ccnc2)n1 ZINC000290471690 552484444 /nfs/dbraw/zinc/48/44/44/552484444.db2.gz GQRXJYUBQXKLIV-GJZGRUSLSA-N 1 2 350.430 2.347 20 30 FEEDLO C[C@@H](Cn1ccnc1)Nc1ccc(C#N)c(N[C@@H](C)Cn2cc[nH+]c2)n1 ZINC000290471690 552484446 /nfs/dbraw/zinc/48/44/46/552484446.db2.gz GQRXJYUBQXKLIV-GJZGRUSLSA-N 1 2 350.430 2.347 20 30 FEEDLO N#Cc1ccc(O[C@H]2CCN(c3cc(N4CCCCC4)[nH+]cn3)C2)nc1 ZINC000291677499 552649856 /nfs/dbraw/zinc/64/98/56/552649856.db2.gz DZXGVMCXALYAQY-INIZCTEOSA-N 1 2 350.426 2.391 20 30 FEEDLO N#Cc1ccc(O[C@H]2CCN(c3cc(N4CCCCC4)nc[nH+]3)C2)nc1 ZINC000291677499 552649858 /nfs/dbraw/zinc/64/98/58/552649858.db2.gz DZXGVMCXALYAQY-INIZCTEOSA-N 1 2 350.426 2.391 20 30 FEEDLO COc1ccc(C[N@@H+]2CC[C@@H](CS(C)(=O)=O)C2)cc1OCCCC#N ZINC000292762957 552756601 /nfs/dbraw/zinc/75/66/01/552756601.db2.gz JQKZQPHRUIAEIJ-MRXNPFEDSA-N 1 2 366.483 2.244 20 30 FEEDLO COc1ccc(C[N@H+]2CC[C@@H](CS(C)(=O)=O)C2)cc1OCCCC#N ZINC000292762957 552756603 /nfs/dbraw/zinc/75/66/03/552756603.db2.gz JQKZQPHRUIAEIJ-MRXNPFEDSA-N 1 2 366.483 2.244 20 30 FEEDLO N#C[C@H]1CC[C@@H]([NH+]2CCN(S(=O)(=O)c3ccccc3Cl)CC2)C1 ZINC000293571130 552836290 /nfs/dbraw/zinc/83/62/90/552836290.db2.gz SSROLGKQFHNGCF-UONOGXRCSA-N 1 2 353.875 2.339 20 30 FEEDLO C=CCn1c(=O)c2ccc(C(=O)N[C@H](C)CCCC[NH3+])cc2[nH]c1=S ZINC000293584246 552837652 /nfs/dbraw/zinc/83/76/52/552837652.db2.gz YSLAYLSODZYTAF-GFCCVEGCSA-N 1 2 360.483 2.119 20 30 FEEDLO C=CCC(C)(C)CNC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000293900332 552866159 /nfs/dbraw/zinc/86/61/59/552866159.db2.gz ZQZAXXDCGUFWEE-UHFFFAOYSA-N 1 2 358.486 2.229 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Cc3cnccc3Cl)CC2)cc1 ZINC000293898948 552866299 /nfs/dbraw/zinc/86/62/99/552866299.db2.gz RDJBGASRTBTQJJ-UHFFFAOYSA-N 1 2 354.841 2.494 20 30 FEEDLO COc1nccc(C[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)n1 ZINC000294699262 552928007 /nfs/dbraw/zinc/92/80/07/552928007.db2.gz FAPSEVPEYBHUSI-UHFFFAOYSA-N 1 2 360.421 2.227 20 30 FEEDLO COc1cc[nH+]cc1CNC(=O)CCCC(=O)Nc1ccccc1C#N ZINC000294734938 552930459 /nfs/dbraw/zinc/93/04/59/552930459.db2.gz XRYWPWGUGKNNBV-UHFFFAOYSA-N 1 2 352.394 2.387 20 30 FEEDLO C=CC[N@@H+](Cc1ccc(C(=O)OC)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000294874302 552940594 /nfs/dbraw/zinc/94/05/94/552940594.db2.gz FIDJUEJQEMBDGF-CYBMUJFWSA-N 1 2 357.859 2.302 20 30 FEEDLO C=CC[N@H+](Cc1ccc(C(=O)OC)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000294874302 552940595 /nfs/dbraw/zinc/94/05/95/552940595.db2.gz FIDJUEJQEMBDGF-CYBMUJFWSA-N 1 2 357.859 2.302 20 30 FEEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCC[C@@H](OC(=O)N(C)C)C1 ZINC000295717610 553049429 /nfs/dbraw/zinc/04/94/29/553049429.db2.gz VBVSFRAADPIEQT-SJLPKXTDSA-N 1 2 372.469 2.484 20 30 FEEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCC[C@@H](OC(=O)N(C)C)C1 ZINC000295717610 553049432 /nfs/dbraw/zinc/04/94/32/553049432.db2.gz VBVSFRAADPIEQT-SJLPKXTDSA-N 1 2 372.469 2.484 20 30 FEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000295755356 553054855 /nfs/dbraw/zinc/05/48/55/553054855.db2.gz XOHJIVZOZYNHRT-WBVHZDCISA-N 1 2 357.454 2.386 20 30 FEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000295755356 553054857 /nfs/dbraw/zinc/05/48/57/553054857.db2.gz XOHJIVZOZYNHRT-WBVHZDCISA-N 1 2 357.454 2.386 20 30 FEEDLO CN(C)C(=O)O[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2SCC#N)C1 ZINC000296773054 553209687 /nfs/dbraw/zinc/20/96/87/553209687.db2.gz PTSNCTRDIXCUEL-CYBMUJFWSA-N 1 2 362.455 2.013 20 30 FEEDLO CN(C)C(=O)O[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2SCC#N)C1 ZINC000296773054 553209690 /nfs/dbraw/zinc/20/96/90/553209690.db2.gz PTSNCTRDIXCUEL-CYBMUJFWSA-N 1 2 362.455 2.013 20 30 FEEDLO C#CCOc1ccc(CNC(=O)c2ccccc2C[NH+]2CCOCC2)cc1 ZINC000297130899 553255681 /nfs/dbraw/zinc/25/56/81/553255681.db2.gz UDXOZFSOXSWTTJ-UHFFFAOYSA-N 1 2 364.445 2.461 20 30 FEEDLO Cc1nsc(NC(=O)NCc2ccc(N3CCO[C@@H](C)C3)[nH+]c2)c1C#N ZINC000297294492 553274914 /nfs/dbraw/zinc/27/49/14/553274914.db2.gz AUPZWEKDCTUIGM-NSHDSACASA-N 1 2 372.454 2.265 20 30 FEEDLO C[C@@H]1CCN(C(=O)C(=O)N2CCC(C#N)([NH+](C)C)CC2)[C@H](c2ccco2)C1 ZINC000297667421 553322365 /nfs/dbraw/zinc/32/23/65/553322365.db2.gz GDGOVSBTZLWFFC-CVEARBPZSA-N 1 2 372.469 2.026 20 30 FEEDLO N#Cc1ccccc1OCC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000298191414 553396214 /nfs/dbraw/zinc/39/62/14/553396214.db2.gz WWFCPAPOMZHWIM-UHFFFAOYSA-N 1 2 353.382 2.062 20 30 FEEDLO C[C@@H]([NH2+][C@H]1CCN(c2sccc2C#N)C1=O)c1nnc2ccccn21 ZINC000299121301 553517929 /nfs/dbraw/zinc/51/79/29/553517929.db2.gz VTZHJWXMTHTDBR-YPMHNXCESA-N 1 2 352.423 2.119 20 30 FEEDLO C=CCOc1c(Br)cc(C[N@H+](C)CC(N)=O)cc1OCC ZINC000299244048 553535896 /nfs/dbraw/zinc/53/58/96/553535896.db2.gz LUQZWKYZHUONBQ-UHFFFAOYSA-N 1 2 357.248 2.330 20 30 FEEDLO C=CCOc1c(Br)cc(C[N@@H+](C)CC(N)=O)cc1OCC ZINC000299244048 553535898 /nfs/dbraw/zinc/53/58/98/553535898.db2.gz LUQZWKYZHUONBQ-UHFFFAOYSA-N 1 2 357.248 2.330 20 30 FEEDLO Cc1nnc(NCc2ccccc2OCC[NH+]2CCOCC2)c(C#N)c1C ZINC000299305612 553545299 /nfs/dbraw/zinc/54/52/99/553545299.db2.gz BGGLYFVUPANSKY-UHFFFAOYSA-N 1 2 367.453 2.288 20 30 FEEDLO CCN(CC)C(=O)C[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000299662265 553598956 /nfs/dbraw/zinc/59/89/56/553598956.db2.gz WDWRNLMKFAOHBV-UHFFFAOYSA-N 1 2 351.454 2.097 20 30 FEEDLO N#Cc1cc(F)cc(C2(C(=O)N3CCN(c4cccc[nH+]4)CC3)CC2)c1 ZINC000504572632 561659978 /nfs/dbraw/zinc/65/99/78/561659978.db2.gz KIJZQXVZUGIUJC-UHFFFAOYSA-N 1 2 350.397 2.473 20 30 FEEDLO C#CC[NH+]1CCN(c2cc(CC)nc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000301111265 553622849 /nfs/dbraw/zinc/62/28/49/553622849.db2.gz WJZKVMKMTHUXDA-UHFFFAOYSA-N 1 2 351.410 2.369 20 30 FEEDLO COc1ccc(C[NH+]2CCN(c3cccc(C#N)n3)CC2)c(OC)c1OC ZINC000301250305 553635462 /nfs/dbraw/zinc/63/54/62/553635462.db2.gz BDSNWIKDWFWGIS-UHFFFAOYSA-N 1 2 368.437 2.301 20 30 FEEDLO C=CCCO[C@@H](C)C(=O)Nc1ccc2nc(CC[NH+]3CCOCC3)[nH]c2c1 ZINC000504994357 561665166 /nfs/dbraw/zinc/66/51/66/561665166.db2.gz ODNPGWCGNUPZEL-HNNXBMFYSA-N 1 2 372.469 2.357 20 30 FEEDLO N#Cc1cccc(F)c1CC(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000505218201 561668218 /nfs/dbraw/zinc/66/82/18/561668218.db2.gz GYIDZKWTWMSJBS-HXUWFJFHSA-N 1 2 367.424 2.430 20 30 FEEDLO Cc1cc(C(=O)N2CC[NH2+][C@@H](c3cccnc3)C2)nn1-c1cccc(C#N)c1 ZINC000505578904 561674451 /nfs/dbraw/zinc/67/44/51/561674451.db2.gz LYPSULVFUKAGLX-HXUWFJFHSA-N 1 2 372.432 2.234 20 30 FEEDLO CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000328836589 553829883 /nfs/dbraw/zinc/82/98/83/553829883.db2.gz SQLVXJDYBNSPNO-LSDHHAIUSA-N 1 2 368.503 2.230 20 30 FEEDLO O=C(NCc1ccc(N2CCOCC2)[nH+]c1)N1CC[C@@H](C2CCOCC2)C1 ZINC000328836431 553830140 /nfs/dbraw/zinc/83/01/40/553830140.db2.gz MRZMQCGTGJCUHD-GOSISDBHSA-N 1 2 374.485 2.081 20 30 FEEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)N[C@@H]2CCO[C@]3(CCSC3)C2)C1 ZINC000328878290 553837504 /nfs/dbraw/zinc/83/75/04/553837504.db2.gz UNWAHNDCEYHTAX-CKEIUWERSA-N 1 2 350.488 2.178 20 30 FEEDLO Cc1noc([C@H]2C[N@@H+](CCC(=O)Nc3sccc3C#N)CCN2C)n1 ZINC000328927329 553845815 /nfs/dbraw/zinc/84/58/15/553845815.db2.gz FTAHPHNZYUXGGY-CYBMUJFWSA-N 1 2 360.443 2.278 20 30 FEEDLO Cc1noc([C@H]2C[N@H+](CCC(=O)Nc3sccc3C#N)CCN2C)n1 ZINC000328927329 553845818 /nfs/dbraw/zinc/84/58/18/553845818.db2.gz FTAHPHNZYUXGGY-CYBMUJFWSA-N 1 2 360.443 2.278 20 30 FEEDLO N#C[C@@H](NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccccc1F ZINC000505912960 561685075 /nfs/dbraw/zinc/68/50/75/561685075.db2.gz PSUZEPXZLNGQCE-MOPGFXCFSA-N 1 2 353.397 2.408 20 30 FEEDLO N#C[C@@H](NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccccc1F ZINC000505912960 561685076 /nfs/dbraw/zinc/68/50/76/561685076.db2.gz PSUZEPXZLNGQCE-MOPGFXCFSA-N 1 2 353.397 2.408 20 30 FEEDLO N#Cc1cccc(F)c1CC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000506052422 561688802 /nfs/dbraw/zinc/68/88/02/561688802.db2.gz ZOTPNKJIBBSGOY-GOSISDBHSA-N 1 2 367.424 2.257 20 30 FEEDLO N#Cc1cccc(F)c1CC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000506052422 561688803 /nfs/dbraw/zinc/68/88/03/561688803.db2.gz ZOTPNKJIBBSGOY-GOSISDBHSA-N 1 2 367.424 2.257 20 30 FEEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)N[C@@H]3CCOC4(CCCCC4)C3)C[C@@H]21 ZINC000329044437 553870652 /nfs/dbraw/zinc/87/06/52/553870652.db2.gz JDWUJGDVOABDEK-IXDOHACOSA-N 1 2 351.491 2.187 20 30 FEEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)N[C@@H]3CCOC4(CCCCC4)C3)C[C@@H]21 ZINC000329044437 553870656 /nfs/dbraw/zinc/87/06/56/553870656.db2.gz JDWUJGDVOABDEK-IXDOHACOSA-N 1 2 351.491 2.187 20 30 FEEDLO Cn1c[nH+]cc1[C@H]1[C@H](NC(=O)NC2(C)CCCC2)CCC(=O)N1C1CC1 ZINC000329123049 553884312 /nfs/dbraw/zinc/88/43/12/553884312.db2.gz LEUDNUFLBIWMIU-RHSMWYFYSA-N 1 2 359.474 2.451 20 30 FEEDLO N#Cc1ccc(CS(=O)(=O)NCc2ccccc2Cn2cc[nH+]c2)cc1 ZINC000506229685 561693691 /nfs/dbraw/zinc/69/36/91/561693691.db2.gz BXOYUQZPGLAKFP-UHFFFAOYSA-N 1 2 366.446 2.423 20 30 FEEDLO COc1ccccc1C1(CNC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)CCC1 ZINC000329172853 553895144 /nfs/dbraw/zinc/89/51/44/553895144.db2.gz KOYFPVOEPPICKF-MJGOQNOKSA-N 1 2 373.497 2.436 20 30 FEEDLO COc1ccccc1C1(CNC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)CCC1 ZINC000329172853 553895148 /nfs/dbraw/zinc/89/51/48/553895148.db2.gz KOYFPVOEPPICKF-MJGOQNOKSA-N 1 2 373.497 2.436 20 30 FEEDLO CCC(=O)N1CSC[C@@H]1C(=O)N[C@@H](c1[nH+]ccn1C)C1CCOCC1 ZINC000329212361 553903510 /nfs/dbraw/zinc/90/35/10/553903510.db2.gz ZVRMEWUPUMVQND-UKRRQHHQSA-N 1 2 366.487 2.156 20 30 FEEDLO CC1(C)CN(C(=O)C2CC2)CC[N@@H+]1CC(=O)NC[C@@H]1Cc2ccccc2O1 ZINC000329249579 553910657 /nfs/dbraw/zinc/91/06/57/553910657.db2.gz XDMGLNDPWXDVMU-KRWDZBQOSA-N 1 2 371.481 2.279 20 30 FEEDLO CC1(C)CN(C(=O)C2CC2)CC[N@H+]1CC(=O)NC[C@@H]1Cc2ccccc2O1 ZINC000329249579 553910658 /nfs/dbraw/zinc/91/06/58/553910658.db2.gz XDMGLNDPWXDVMU-KRWDZBQOSA-N 1 2 371.481 2.279 20 30 FEEDLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)N1CCO[C@]2(CCCOC2)C1 ZINC000329262162 553912765 /nfs/dbraw/zinc/91/27/65/553912765.db2.gz GANIMSWHTUAQBT-LJQANCHMSA-N 1 2 356.426 2.168 20 30 FEEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)N[C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000329260341 553912985 /nfs/dbraw/zinc/91/29/85/553912985.db2.gz FPBYUVBYCLHKRV-WCXIOVBPSA-N 1 2 353.507 2.289 20 30 FEEDLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000329272931 553914848 /nfs/dbraw/zinc/91/48/48/553914848.db2.gz IAFXSUBLGKZZPA-CRAIPNDOSA-N 1 2 374.485 2.394 20 30 FEEDLO Cc1ccc(N2CCC[C@H](NC(=O)[C@@H]3COCC[N@@H+]3C3CCCC3)C2)nn1 ZINC000329308548 553922710 /nfs/dbraw/zinc/92/27/10/553922710.db2.gz ZWBNNDSOBDWXNT-WMZOPIPTSA-N 1 2 373.501 2.354 20 30 FEEDLO Cc1ccc(N2CCC[C@H](NC(=O)[C@@H]3COCC[N@H+]3C3CCCC3)C2)nn1 ZINC000329308548 553922714 /nfs/dbraw/zinc/92/27/14/553922714.db2.gz ZWBNNDSOBDWXNT-WMZOPIPTSA-N 1 2 373.501 2.354 20 30 FEEDLO Cc1noc([C@@H](NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)C2CCOCC2)n1 ZINC000329375874 553934395 /nfs/dbraw/zinc/93/43/95/553934395.db2.gz LBQSVHSAPYSVSI-INIZCTEOSA-N 1 2 374.445 2.362 20 30 FEEDLO Cc1noc([C@@H](NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)C2CCOCC2)n1 ZINC000329375874 553934396 /nfs/dbraw/zinc/93/43/96/553934396.db2.gz LBQSVHSAPYSVSI-INIZCTEOSA-N 1 2 374.445 2.362 20 30 FEEDLO CN(Cc1nccn1C)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000329395579 553938444 /nfs/dbraw/zinc/93/84/44/553938444.db2.gz UDIKUVXLRICMMR-NVXWUHKLSA-N 1 2 363.412 2.490 20 30 FEEDLO CN(Cc1nccn1C)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000329395579 553938445 /nfs/dbraw/zinc/93/84/45/553938445.db2.gz UDIKUVXLRICMMR-NVXWUHKLSA-N 1 2 363.412 2.490 20 30 FEEDLO CC(C)(CNC(=O)CN1CCO[C@@H](C2CCCCC2)C1)[NH+]1CCOCC1 ZINC000329436075 553946600 /nfs/dbraw/zinc/94/66/00/553946600.db2.gz LVLHIHBTXZTHBO-GOSISDBHSA-N 1 2 367.534 2.335 20 30 FEEDLO C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@H+](C)Cc1cnc(N(C)C)nc1 ZINC000329483153 553955289 /nfs/dbraw/zinc/95/52/89/553955289.db2.gz FCAWAXLWYMFMLO-HIFRSBDPSA-N 1 2 362.478 2.424 20 30 FEEDLO C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@@H+](C)Cc1cnc(N(C)C)nc1 ZINC000329483153 553955291 /nfs/dbraw/zinc/95/52/91/553955291.db2.gz FCAWAXLWYMFMLO-HIFRSBDPSA-N 1 2 362.478 2.424 20 30 FEEDLO C[C@@H]1CN(C(=O)N[C@@H](c2[nH+]ccn2C)C2CCOCC2)CC(C)(C)O1 ZINC000329485546 553955966 /nfs/dbraw/zinc/95/59/66/553955966.db2.gz QSZXZFLRJGFDQA-UKRRQHHQSA-N 1 2 350.463 2.301 20 30 FEEDLO Cc1ccnc(OC2CCN(C([O-])=[NH+][C@H]3CCc4[nH]c[nH+]c4C3)CC2)c1 ZINC000329608871 553976163 /nfs/dbraw/zinc/97/61/63/553976163.db2.gz NFJKLMHJMRGVOV-AWEZNQCLSA-N 1 2 355.442 2.428 20 30 FEEDLO Cc1ccnc(OC2CCN(C([O-])=[NH+][C@H]3CCc4[nH+]c[nH]c4C3)CC2)c1 ZINC000329608871 553976164 /nfs/dbraw/zinc/97/61/64/553976164.db2.gz NFJKLMHJMRGVOV-AWEZNQCLSA-N 1 2 355.442 2.428 20 30 FEEDLO [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1CCCN2c3ccccc3C[C@@H]2C1 ZINC000329632140 553979843 /nfs/dbraw/zinc/97/98/43/553979843.db2.gz WDYVUUOGPVYBCC-IAGOWNOFSA-N 1 2 351.454 2.249 20 30 FEEDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)N1CCCN2c3ccccc3C[C@@H]2C1 ZINC000329632140 553979845 /nfs/dbraw/zinc/97/98/45/553979845.db2.gz WDYVUUOGPVYBCC-IAGOWNOFSA-N 1 2 351.454 2.249 20 30 FEEDLO C[C@H](NC(=O)N1CC2(CCC2)[C@@H]1[C@@H]1CCCO1)[C@H](C)[NH+]1CCOCC1 ZINC000329635829 553980170 /nfs/dbraw/zinc/98/01/70/553980170.db2.gz XVZHHZZMJHMMAL-QAETUUGQSA-N 1 2 351.491 2.043 20 30 FEEDLO COc1ccc([C@H](NC(=O)C[N@@H+]2CCN3CCOC[C@H]3C2)C(C)C)cc1 ZINC000329669415 553985764 /nfs/dbraw/zinc/98/57/64/553985764.db2.gz MIVFSYONMMKIDV-YLJYHZDGSA-N 1 2 361.486 2.365 20 30 FEEDLO COc1ccc([C@H](NC(=O)C[N@H+]2CCN3CCOC[C@H]3C2)C(C)C)cc1 ZINC000329669415 553985766 /nfs/dbraw/zinc/98/57/66/553985766.db2.gz MIVFSYONMMKIDV-YLJYHZDGSA-N 1 2 361.486 2.365 20 30 FEEDLO Cc1cc2c(cc1NC(=O)N1CC[NH+]([C@@H](C)C(=O)NC3CC3)CC1)OCO2 ZINC000329695880 553990806 /nfs/dbraw/zinc/99/08/06/553990806.db2.gz DHOPWWHLDOVMAZ-ZDUSSCGKSA-N 1 2 374.441 2.394 20 30 FEEDLO Cc1ccccc1[C@H]1C[C@H](NC(=O)N2CCO[C@H](C[N@@H+](C)CC(N)=O)C2)C1 ZINC000329804294 554009173 /nfs/dbraw/zinc/00/91/73/554009173.db2.gz LXMWEEPPWRJPGX-BRWVUGGUSA-N 1 2 374.485 2.323 20 30 FEEDLO Cc1ccccc1[C@H]1C[C@H](NC(=O)N2CCO[C@H](C[N@H+](C)CC(N)=O)C2)C1 ZINC000329804294 554009175 /nfs/dbraw/zinc/00/91/75/554009175.db2.gz LXMWEEPPWRJPGX-BRWVUGGUSA-N 1 2 374.485 2.323 20 30 FEEDLO Cc1cc(C[N@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)NC[C@@H]2CCSC2)on1 ZINC000329895600 554026179 /nfs/dbraw/zinc/02/61/79/554026179.db2.gz BYWJOEMXRFJXIN-KKUMJFAQSA-N 1 2 370.494 2.494 20 30 FEEDLO Cc1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)NC[C@@H]2CCSC2)on1 ZINC000329895600 554026181 /nfs/dbraw/zinc/02/61/81/554026181.db2.gz BYWJOEMXRFJXIN-KKUMJFAQSA-N 1 2 370.494 2.494 20 30 FEEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)Nc3cc4c(cc3Cl)OCCCO4)C[C@H]21 ZINC000329913665 554030219 /nfs/dbraw/zinc/03/02/19/554030219.db2.gz BZAJKAPXHOLBHB-CZUORRHYSA-N 1 2 367.833 2.062 20 30 FEEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)Nc3cc4c(cc3Cl)OCCCO4)C[C@H]21 ZINC000329913665 554030221 /nfs/dbraw/zinc/03/02/21/554030221.db2.gz BZAJKAPXHOLBHB-CZUORRHYSA-N 1 2 367.833 2.062 20 30 FEEDLO C[C@H](NC(=O)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1)c1nc(C2CCCCC2)no1 ZINC000329918483 554031641 /nfs/dbraw/zinc/03/16/41/554031641.db2.gz FZSIRECZALTLRW-QEJZJMRPSA-N 1 2 363.462 2.107 20 30 FEEDLO C[C@H](NC(=O)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1)c1nc(C2CCCCC2)no1 ZINC000329918483 554031644 /nfs/dbraw/zinc/03/16/44/554031644.db2.gz FZSIRECZALTLRW-QEJZJMRPSA-N 1 2 363.462 2.107 20 30 FEEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)C[C@H]21 ZINC000329918448 554031980 /nfs/dbraw/zinc/03/19/80/554031980.db2.gz FXONYTNZVMUTIU-KGLIPLIRSA-N 1 2 354.332 2.137 20 30 FEEDLO C[N@H+]1CCO[C@H]2CN(C(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)C[C@H]21 ZINC000329918448 554031983 /nfs/dbraw/zinc/03/19/83/554031983.db2.gz FXONYTNZVMUTIU-KGLIPLIRSA-N 1 2 354.332 2.137 20 30 FEEDLO C[C@@H]1OCC[C@@]12C[N@H+](CC(=O)NCc1cnn(-c3ccccc3)c1)CCO2 ZINC000329926502 554033140 /nfs/dbraw/zinc/03/31/40/554033140.db2.gz WFDGDQNGXBPRNS-OXJNMPFZSA-N 1 2 370.453 2.209 20 30 FEEDLO C[C@@H]1OCC[C@@]12C[N@@H+](CC(=O)NCc1cnn(-c3ccccc3)c1)CCO2 ZINC000329926502 554033141 /nfs/dbraw/zinc/03/31/41/554033141.db2.gz WFDGDQNGXBPRNS-OXJNMPFZSA-N 1 2 370.453 2.209 20 30 FEEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)Nc3ccc(-n4cccn4)c(Cl)c3)C[C@H]21 ZINC000329928324 554033404 /nfs/dbraw/zinc/03/34/04/554033404.db2.gz MGKIDIQMICHDCZ-CVEARBPZSA-N 1 2 361.833 2.086 20 30 FEEDLO C[N@H+]1CCO[C@H]2CN(C(=O)Nc3ccc(-n4cccn4)c(Cl)c3)C[C@H]21 ZINC000329928324 554033406 /nfs/dbraw/zinc/03/34/06/554033406.db2.gz MGKIDIQMICHDCZ-CVEARBPZSA-N 1 2 361.833 2.086 20 30 FEEDLO Cn1cc[nH+]c1[C@@H](NC(=O)C(=O)Nc1cc(C#N)ccc1Cl)C1CC1 ZINC000507386161 561727568 /nfs/dbraw/zinc/72/75/68/561727568.db2.gz UOLVMDXOPKGHCI-AWEZNQCLSA-N 1 2 357.801 2.151 20 30 FEEDLO C=CCOc1cccc(NC(=O)C(=O)N[C@@H](c2[nH+]ccn2C)C2CC2)c1 ZINC000507444255 561729881 /nfs/dbraw/zinc/72/98/81/561729881.db2.gz TYXDNLWGXPAFIZ-MRXNPFEDSA-N 1 2 354.410 2.191 20 30 FEEDLO O=C(C[N@@H+]1CCOC[C@H](C2CCC2)C1)Nc1cc(-n2cnnn2)ccc1F ZINC000330253230 554093301 /nfs/dbraw/zinc/09/33/01/554093301.db2.gz ORGRWZUDZIKSKN-CQSZACIVSA-N 1 2 374.420 2.138 20 30 FEEDLO O=C(C[N@H+]1CCOC[C@H](C2CCC2)C1)Nc1cc(-n2cnnn2)ccc1F ZINC000330253230 554093303 /nfs/dbraw/zinc/09/33/03/554093303.db2.gz ORGRWZUDZIKSKN-CQSZACIVSA-N 1 2 374.420 2.138 20 30 FEEDLO C[C@H](C(=O)N(C)CCC#N)[NH+]1CCN([C@H](C)c2ccc(F)cc2F)CC1 ZINC000507772502 561740312 /nfs/dbraw/zinc/74/03/12/561740312.db2.gz YXDTVSIQFCHAOM-HUUCEWRRSA-N 1 2 364.440 2.404 20 30 FEEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](N/C([O-])=[NH+]/Cc2cn3ccsc3n2)CCO1 ZINC000330283200 554098868 /nfs/dbraw/zinc/09/88/68/554098868.db2.gz BDQAWIXEYXFEMV-RISCZKNCSA-N 1 2 360.443 2.053 20 30 FEEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)CN2C(=O)COc3ccccc32)CCO1 ZINC000330338273 554107743 /nfs/dbraw/zinc/10/77/43/554107743.db2.gz VECPYOUNZKLXHE-DYVFJYSZSA-N 1 2 370.409 2.022 20 30 FEEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)c2ccnc(O[C@@H]3CCOC3)c2)CCO1 ZINC000330338899 554107991 /nfs/dbraw/zinc/10/79/91/554107991.db2.gz VZUBXYATEJIVTD-INMHGKMJSA-N 1 2 372.425 2.208 20 30 FEEDLO Cc1ccc(NC(=O)NC(=O)[C@H](C)[N@H+]2C[C@@H]3[C@H](C2)OCCN3C)c(C)c1 ZINC000330342841 554108471 /nfs/dbraw/zinc/10/84/71/554108471.db2.gz BGVYVCCPJOCNKZ-UAGQMJEPSA-N 1 2 360.458 2.209 20 30 FEEDLO Cc1ccc(NC(=O)NC(=O)[C@H](C)[N@@H+]2C[C@@H]3[C@H](C2)OCCN3C)c(C)c1 ZINC000330342841 554108475 /nfs/dbraw/zinc/10/84/75/554108475.db2.gz BGVYVCCPJOCNKZ-UAGQMJEPSA-N 1 2 360.458 2.209 20 30 FEEDLO CC(C)[C@H](NC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1)C(N)=O ZINC000330982362 554196716 /nfs/dbraw/zinc/19/67/16/554196716.db2.gz JTUGWBCRDYGAQD-ZENOOKHLSA-N 1 2 363.462 2.259 20 30 FEEDLO C[N@@H+](Cc1cc(C#N)ccc1Br)C[C@@H]1CCS(=O)(=O)C1 ZINC000331131849 554218727 /nfs/dbraw/zinc/21/87/27/554218727.db2.gz BDVDTKZLNWRZEB-LBPRGKRZSA-N 1 2 357.273 2.187 20 30 FEEDLO C[N@H+](Cc1cc(C#N)ccc1Br)C[C@@H]1CCS(=O)(=O)C1 ZINC000331131849 554218728 /nfs/dbraw/zinc/21/87/28/554218728.db2.gz BDVDTKZLNWRZEB-LBPRGKRZSA-N 1 2 357.273 2.187 20 30 FEEDLO C[C@@H](Cn1ccc2ccccc21)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000509502907 561802716 /nfs/dbraw/zinc/80/27/16/561802716.db2.gz ZSEWWGHTMZPNPA-SFHVURJKSA-N 1 2 368.481 2.352 20 30 FEEDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)N=c3[nH]n(C)cc3C#N)CC2)c1 ZINC000610562824 554529567 /nfs/dbraw/zinc/52/95/67/554529567.db2.gz HYNFLZFVEWXJKP-AWEZNQCLSA-N 1 2 368.441 2.211 20 30 FEEDLO Cc1nnc([C@@H]2CC[N@@H+]([C@H](C)C(=O)N(C)C3(C#N)CCC(C)CC3)C2)[nH]1 ZINC000333119858 554575413 /nfs/dbraw/zinc/57/54/13/554575413.db2.gz HZTAIZCEQRZAES-PPKXHPOVSA-N 1 2 358.490 2.222 20 30 FEEDLO Cc1nnc([C@@H]2CC[N@H+]([C@H](C)C(=O)N(C)C3(C#N)CCC(C)CC3)C2)[nH]1 ZINC000333119858 554575414 /nfs/dbraw/zinc/57/54/14/554575414.db2.gz HZTAIZCEQRZAES-PPKXHPOVSA-N 1 2 358.490 2.222 20 30 FEEDLO Cc1n[nH]c([C@@H]2CC[N@@H+]([C@H](C)C(=O)N(C)C3(C#N)CCC(C)CC3)C2)n1 ZINC000333119858 554575415 /nfs/dbraw/zinc/57/54/15/554575415.db2.gz HZTAIZCEQRZAES-PPKXHPOVSA-N 1 2 358.490 2.222 20 30 FEEDLO Cc1n[nH]c([C@@H]2CC[N@H+]([C@H](C)C(=O)N(C)C3(C#N)CCC(C)CC3)C2)n1 ZINC000333119858 554575416 /nfs/dbraw/zinc/57/54/16/554575416.db2.gz HZTAIZCEQRZAES-PPKXHPOVSA-N 1 2 358.490 2.222 20 30 FEEDLO Cc1nc([C@@H]2CC[N@@H+]([C@H](C)C(=O)N(C)C3(C#N)CCC(C)CC3)C2)n[nH]1 ZINC000333119858 554575417 /nfs/dbraw/zinc/57/54/17/554575417.db2.gz HZTAIZCEQRZAES-PPKXHPOVSA-N 1 2 358.490 2.222 20 30 FEEDLO Cc1nc([C@@H]2CC[N@H+]([C@H](C)C(=O)N(C)C3(C#N)CCC(C)CC3)C2)n[nH]1 ZINC000333119858 554575418 /nfs/dbraw/zinc/57/54/18/554575418.db2.gz HZTAIZCEQRZAES-PPKXHPOVSA-N 1 2 358.490 2.222 20 30 FEEDLO C=CCOC[C@@H]1NC(=O)N([C@H](c2[nH+]ccn2C)c2ccc(Cl)cc2)C1=O ZINC000348501993 554686945 /nfs/dbraw/zinc/68/69/45/554686945.db2.gz RJIVFZNGQGHTFN-GJZGRUSLSA-N 1 2 374.828 2.286 20 30 FEEDLO C=CCN1C(=O)N(CC(C)(C)[NH+]2CCOCC2)C(=O)[C@@H]1Cc1ccccc1 ZINC000349270773 554724054 /nfs/dbraw/zinc/72/40/54/554724054.db2.gz VTYYYRZJSPOENS-SFHVURJKSA-N 1 2 371.481 2.159 20 30 FEEDLO C=CCC(C)(C)c1nc(-c2ccc(C(=O)N3CC[NH+](C)CC3)nc2)no1 ZINC000350534246 554796058 /nfs/dbraw/zinc/79/60/58/554796058.db2.gz WWJFFJHXSZNLNH-UHFFFAOYSA-N 1 2 355.442 2.373 20 30 FEEDLO COC(=O)[C@@H](c1cccnc1)[N@@H+]1CCCN(c2ccc(C#N)cc2)CC1 ZINC000361939927 554939174 /nfs/dbraw/zinc/93/91/74/554939174.db2.gz OVSBDBGKBGLHJJ-LJQANCHMSA-N 1 2 350.422 2.380 20 30 FEEDLO COC(=O)[C@@H](c1cccnc1)[N@H+]1CCCN(c2ccc(C#N)cc2)CC1 ZINC000361939927 554939176 /nfs/dbraw/zinc/93/91/76/554939176.db2.gz OVSBDBGKBGLHJJ-LJQANCHMSA-N 1 2 350.422 2.380 20 30 FEEDLO N#CCCCS(=O)(=O)N[C@H]1CC[N@H+](C2CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000363686033 555164108 /nfs/dbraw/zinc/16/41/08/555164108.db2.gz CSTOUAJSECQVQH-DLBZAZTESA-N 1 2 369.437 2.466 20 30 FEEDLO N#CCCCS(=O)(=O)N[C@H]1CC[N@@H+](C2CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000363686033 555164110 /nfs/dbraw/zinc/16/41/10/555164110.db2.gz CSTOUAJSECQVQH-DLBZAZTESA-N 1 2 369.437 2.466 20 30 FEEDLO CC(C)NS(=O)(=O)[C@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2Cl)C1 ZINC000364333221 555293696 /nfs/dbraw/zinc/29/36/96/555293696.db2.gz SOEDZSMHZWENIC-LBPRGKRZSA-N 1 2 359.854 2.253 20 30 FEEDLO CC(C)NS(=O)(=O)[C@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2Cl)C1 ZINC000364333221 555293699 /nfs/dbraw/zinc/29/36/99/555293699.db2.gz SOEDZSMHZWENIC-LBPRGKRZSA-N 1 2 359.854 2.253 20 30 FEEDLO COc1cc[nH+]cc1NC(=O)[C@@H]1CCC(=O)N1Cc1cccc(C#N)c1 ZINC000364338130 555294483 /nfs/dbraw/zinc/29/44/83/555294483.db2.gz LMSUOIPAUCWTEP-INIZCTEOSA-N 1 2 350.378 2.092 20 30 FEEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@]2(C1)c1ccccc1NC2=O ZINC000364437497 555313961 /nfs/dbraw/zinc/31/39/61/555313961.db2.gz BEBMXJWBMSZSON-WIYYLYMNSA-N 1 2 361.401 2.368 20 30 FEEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@@]2(C1)c1ccccc1NC2=O ZINC000364437497 555313963 /nfs/dbraw/zinc/31/39/63/555313963.db2.gz BEBMXJWBMSZSON-WIYYLYMNSA-N 1 2 361.401 2.368 20 30 FEEDLO N#Cc1ccc(C(F)(F)F)nc1NC[C@]1([NH+]2CCOCC2)CCCOC1 ZINC000364439115 555314427 /nfs/dbraw/zinc/31/44/27/555314427.db2.gz TWVAZHVUEAMHCS-MRXNPFEDSA-N 1 2 370.375 2.265 20 30 FEEDLO Cc1noc([C@H]([NH2+][C@@H](C)C(=O)Nc2cccc(C#N)c2)C2CCOCC2)n1 ZINC000364554174 555336831 /nfs/dbraw/zinc/33/68/31/555336831.db2.gz IKJGULZSFLRQFY-YVEFUNNKSA-N 1 2 369.425 2.334 20 30 FEEDLO CCc1nc(C[N@@H+]2CCCN(C(=O)c3ccc(C#N)nc3)CC2)cs1 ZINC000364553853 555336978 /nfs/dbraw/zinc/33/69/78/555336978.db2.gz CCNKLNLOUGOLIH-UHFFFAOYSA-N 1 2 355.467 2.320 20 30 FEEDLO CCc1nc(C[N@H+]2CCCN(C(=O)c3ccc(C#N)nc3)CC2)cs1 ZINC000364553853 555336981 /nfs/dbraw/zinc/33/69/81/555336981.db2.gz CCNKLNLOUGOLIH-UHFFFAOYSA-N 1 2 355.467 2.320 20 30 FEEDLO Cc1noc([C@@H]([NH2+][C@@H](C)C(=O)Nc2cccc(C#N)c2)C2CCOCC2)n1 ZINC000364554172 555337036 /nfs/dbraw/zinc/33/70/36/555337036.db2.gz IKJGULZSFLRQFY-SJCJKPOMSA-N 1 2 369.425 2.334 20 30 FEEDLO CCOC(=O)CCCNC(=O)C[N@@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000365678204 555638888 /nfs/dbraw/zinc/63/88/88/555638888.db2.gz FULNOVADDWWJMG-MSOLQXFVSA-N 1 2 357.454 2.218 20 30 FEEDLO CCOC(=O)CCCNC(=O)C[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000365678204 555638892 /nfs/dbraw/zinc/63/88/92/555638892.db2.gz FULNOVADDWWJMG-MSOLQXFVSA-N 1 2 357.454 2.218 20 30 FEEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)[C@H]2CCCN2c2ccccc2)c1C#N ZINC000618893844 555691035 /nfs/dbraw/zinc/69/10/35/555691035.db2.gz IJQXHAKTUOVIFI-QGZVFWFLSA-N 1 2 352.442 2.041 20 30 FEEDLO COc1ccccc1OCC[N@@H+]1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000513666177 561946089 /nfs/dbraw/zinc/94/60/89/561946089.db2.gz KHJDIRYRZVFIOP-VFNWGFHPSA-N 1 2 363.417 2.419 20 30 FEEDLO COc1ccccc1OCC[N@H+]1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000513666177 561946090 /nfs/dbraw/zinc/94/60/90/561946090.db2.gz KHJDIRYRZVFIOP-VFNWGFHPSA-N 1 2 363.417 2.419 20 30 FEEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000366587764 555884314 /nfs/dbraw/zinc/88/43/14/555884314.db2.gz ZMGACMCPFDMBFH-HXDCLABWSA-N 1 2 363.502 2.186 20 30 FEEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000366587764 555884315 /nfs/dbraw/zinc/88/43/15/555884315.db2.gz ZMGACMCPFDMBFH-HXDCLABWSA-N 1 2 363.502 2.186 20 30 FEEDLO N#Cc1ccc(CNC(=O)C[NH+]2CCC(C#N)(c3ccccn3)CC2)cc1 ZINC000367065440 556000904 /nfs/dbraw/zinc/00/09/04/556000904.db2.gz INMYENZWIRLTIO-UHFFFAOYSA-N 1 2 359.433 2.127 20 30 FEEDLO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(C[C@@H](C#N)CCC#N)C2)CC1 ZINC000367552208 556080867 /nfs/dbraw/zinc/08/08/67/556080867.db2.gz MTSDLMXFOKSMSS-IAGOWNOFSA-N 1 2 361.490 2.057 20 30 FEEDLO C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCN(CC)[C@H](c2[nH]cc[nH+]2)C1 ZINC000367866191 556159314 /nfs/dbraw/zinc/15/93/14/556159314.db2.gz SIGYEQVXSGQTGB-OALUTQOASA-N 1 2 365.481 2.433 20 30 FEEDLO N#Cc1ccc(OC2CCN(C(=O)N[C@H]3CCc4[nH]c[nH+]c4C3)CC2)cc1 ZINC000368190507 556243326 /nfs/dbraw/zinc/24/33/26/556243326.db2.gz ODEMDVMOJLHNQT-HNNXBMFYSA-N 1 2 365.437 2.392 20 30 FEEDLO N#Cc1ccc(OC2CCN(C(=O)N[C@H]3CCc4[nH+]c[nH]c4C3)CC2)cc1 ZINC000368190507 556243323 /nfs/dbraw/zinc/24/33/23/556243323.db2.gz ODEMDVMOJLHNQT-HNNXBMFYSA-N 1 2 365.437 2.392 20 30 FEEDLO CCCC[C@@H](ON=C(C)C)C(=O)N1CCC[N@H+](CC(=O)NC(C)C)CC1 ZINC000368218512 556251475 /nfs/dbraw/zinc/25/14/75/556251475.db2.gz HHLQAFSLUJURFO-QGZVFWFLSA-N 1 2 368.522 2.017 20 30 FEEDLO CCCC[C@@H](ON=C(C)C)C(=O)N1CCC[N@@H+](CC(=O)NC(C)C)CC1 ZINC000368218512 556251477 /nfs/dbraw/zinc/25/14/77/556251477.db2.gz HHLQAFSLUJURFO-QGZVFWFLSA-N 1 2 368.522 2.017 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCN([C@@H]3CCCc4ccccc43)C2=O)C1=O ZINC000368505506 556329990 /nfs/dbraw/zinc/32/99/90/556329990.db2.gz WBXTZGNBGURYGU-AABGKKOBSA-N 1 2 367.493 2.384 20 30 FEEDLO C=CCN1CC[C@H]([N@H+](C)[C@H]2CCN([C@@H]3CCCc4ccccc43)C2=O)C1=O ZINC000368505506 556329991 /nfs/dbraw/zinc/32/99/91/556329991.db2.gz WBXTZGNBGURYGU-AABGKKOBSA-N 1 2 367.493 2.384 20 30 FEEDLO N#Cc1cc(NC(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)ccc1Cl ZINC000368748640 556404675 /nfs/dbraw/zinc/40/46/75/556404675.db2.gz KGNXSNWORJCOPV-UHFFFAOYSA-N 1 2 371.828 2.042 20 30 FEEDLO C=CC[C@H](C(=O)N1CC[NH+]([C@H]2CCCCNC2=O)CC1)c1ccccc1 ZINC000368749871 556405055 /nfs/dbraw/zinc/40/50/55/556405055.db2.gz JZSNJBBMICUUOD-OALUTQOASA-N 1 2 355.482 2.159 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)NCc2ccnc(-n3cc[nH+]c3)c2)cc1Cl ZINC000368777370 556410557 /nfs/dbraw/zinc/41/05/57/556410557.db2.gz NZKWADUQLLAHEU-UHFFFAOYSA-N 1 2 373.825 2.271 20 30 FEEDLO Cc1ccc2[nH+]c(CSCC(=O)N3CCN(C4CC4)[C@@H](C#N)C3)cn2c1 ZINC000369218136 556538771 /nfs/dbraw/zinc/53/87/71/556538771.db2.gz GBNQQZKPKFKZMJ-KRWDZBQOSA-N 1 2 369.494 2.075 20 30 FEEDLO N#Cc1ccc(Cn2nnc([C@H]3C[N@H+](Cc4ccccc4)CCO3)n2)cc1 ZINC000369256469 556552055 /nfs/dbraw/zinc/55/20/55/556552055.db2.gz YCGXKWTYMSXHLS-LJQANCHMSA-N 1 2 360.421 2.167 20 30 FEEDLO N#Cc1ccc(Cn2nnc([C@H]3C[N@@H+](Cc4ccccc4)CCO3)n2)cc1 ZINC000369256469 556552058 /nfs/dbraw/zinc/55/20/58/556552058.db2.gz YCGXKWTYMSXHLS-LJQANCHMSA-N 1 2 360.421 2.167 20 30 FEEDLO N#CC1(c2ccccn2)CC[NH+](CC(=O)NCc2ccc(F)cc2)CC1 ZINC000370295240 556832245 /nfs/dbraw/zinc/83/22/45/556832245.db2.gz VKISGPBMTSJXTF-UHFFFAOYSA-N 1 2 352.413 2.394 20 30 FEEDLO Cc1cc(N2CCC(NC(=O)c3ccccc3OCC#N)CC2)nc[nH+]1 ZINC000370310672 556837109 /nfs/dbraw/zinc/83/71/09/556837109.db2.gz RTZFAZHRDATXAG-UHFFFAOYSA-N 1 2 351.410 2.086 20 30 FEEDLO C[C@H](CC#N)N(C)S(=O)(=O)N1CCC(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000370673048 556936065 /nfs/dbraw/zinc/93/60/65/556936065.db2.gz JUGVVSMRPSVJAM-CYBMUJFWSA-N 1 2 361.471 2.221 20 30 FEEDLO Cc1cnn(C2CC[NH+](CCS(=O)(=O)c3cccc(C#N)c3)CC2)c1 ZINC000371098891 557074482 /nfs/dbraw/zinc/07/44/82/557074482.db2.gz KXRNOKOGJGMUIO-UHFFFAOYSA-N 1 2 358.467 2.174 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)N2CC[NH2+]C[C@@H]2c2ccccc2Cl)o1 ZINC000517395690 562088585 /nfs/dbraw/zinc/08/85/85/562088585.db2.gz MUVPXDKJLRWMBA-CQSZACIVSA-N 1 2 351.815 2.140 20 30 FEEDLO Cc1cc(C)n2c(C[N@@H+]3C[C@@H](C#N)[C@]4(C3)c3ccccc3NC4=O)cnc2n1 ZINC000371457036 557190317 /nfs/dbraw/zinc/19/03/17/557190317.db2.gz HXJJGFNWZQWFRR-QVKFZJNVSA-N 1 2 372.432 2.192 20 30 FEEDLO Cc1cc(C)n2c(C[N@H+]3C[C@@H](C#N)[C@]4(C3)c3ccccc3NC4=O)cnc2n1 ZINC000371457036 557190324 /nfs/dbraw/zinc/19/03/24/557190324.db2.gz HXJJGFNWZQWFRR-QVKFZJNVSA-N 1 2 372.432 2.192 20 30 FEEDLO CC(C)(CC#N)CNC(=O)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000518114980 562104760 /nfs/dbraw/zinc/10/47/60/562104760.db2.gz RDHKFYNVQCJMPH-UHFFFAOYSA-N 1 2 372.469 2.225 20 30 FEEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCc2ccccc2[C@H]1C(N)=O ZINC000371769320 557288339 /nfs/dbraw/zinc/28/83/39/557288339.db2.gz IMOIOVZHVLGJPK-IBGZPJMESA-N 1 2 351.406 2.030 20 30 FEEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCc2ccccc2[C@H]1C(N)=O ZINC000371769320 557288342 /nfs/dbraw/zinc/28/83/42/557288342.db2.gz IMOIOVZHVLGJPK-IBGZPJMESA-N 1 2 351.406 2.030 20 30 FEEDLO N#C[C@@H]1C[N@@H+](C[C@@H](O)c2cc(F)ccc2F)C[C@]12C(=O)Nc1ccccc12 ZINC000372229526 557415956 /nfs/dbraw/zinc/41/59/56/557415956.db2.gz WLEULBIDCCLPDV-LIUKBUMOSA-N 1 2 369.371 2.344 20 30 FEEDLO N#C[C@@H]1C[N@H+](C[C@@H](O)c2cc(F)ccc2F)C[C@]12C(=O)Nc1ccccc12 ZINC000372229526 557415959 /nfs/dbraw/zinc/41/59/59/557415959.db2.gz WLEULBIDCCLPDV-LIUKBUMOSA-N 1 2 369.371 2.344 20 30 FEEDLO CCOC(=O)c1c[nH]n(C2CC[NH+](Cc3ccc(C#N)c(F)c3)CC2)c1=N ZINC000372813369 557567001 /nfs/dbraw/zinc/56/70/01/557567001.db2.gz FNDCGIVPDJUNEH-UHFFFAOYSA-N 1 2 371.416 2.320 20 30 FEEDLO Cc1cc(C#N)ccc1S(=O)(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000373204891 557649412 /nfs/dbraw/zinc/64/94/12/557649412.db2.gz PMMRRVOKMPWBCO-UHFFFAOYSA-N 1 2 359.455 2.131 20 30 FEEDLO C=C(C)[C@H]1OCCC[C@H]1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000373208963 557650196 /nfs/dbraw/zinc/65/01/96/557650196.db2.gz VBXOMUMQCNSYEH-XUVXKRRUSA-N 1 2 358.482 2.375 20 30 FEEDLO C=C(C)[C@H]1OCCC[C@H]1C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000373208963 557650199 /nfs/dbraw/zinc/65/01/99/557650199.db2.gz VBXOMUMQCNSYEH-XUVXKRRUSA-N 1 2 358.482 2.375 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC1CC[NH+](Cc2cscn2)CC1 ZINC000373890253 557781005 /nfs/dbraw/zinc/78/10/05/557781005.db2.gz LPKIPETVRSUNTM-PBHICJAKSA-N 1 2 364.515 2.388 20 30 FEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+](C)C[C@@H]1CCCN1c1cccnn1 ZINC000374208023 557843386 /nfs/dbraw/zinc/84/33/86/557843386.db2.gz KPNGGJGQJLFJKJ-HKUYNNGSSA-N 1 2 365.437 2.163 20 30 FEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@H]1CCCN1c1cccnn1 ZINC000374208023 557843388 /nfs/dbraw/zinc/84/33/88/557843388.db2.gz KPNGGJGQJLFJKJ-HKUYNNGSSA-N 1 2 365.437 2.163 20 30 FEEDLO COc1ccccc1[C@H]1CN(C(=O)COc2ccccc2C#N)CC[NH2+]1 ZINC000374346556 557869191 /nfs/dbraw/zinc/86/91/91/557869191.db2.gz SMWSTKBLCIOUBK-QGZVFWFLSA-N 1 2 351.406 2.119 20 30 FEEDLO CCOC(=O)[C@H]1C[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)Cc2ccccc21 ZINC000374404984 557879886 /nfs/dbraw/zinc/87/98/86/557879886.db2.gz KRYQGXJCSSHYDZ-PXNSSMCTSA-N 1 2 357.454 2.203 20 30 FEEDLO CCOC(=O)[C@H]1C[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)Cc2ccccc21 ZINC000374404984 557879888 /nfs/dbraw/zinc/87/98/88/557879888.db2.gz KRYQGXJCSSHYDZ-PXNSSMCTSA-N 1 2 357.454 2.203 20 30 FEEDLO C=C(C)COc1cc(C[NH+]2CC(n3cc([C@H](C)O)nn3)C2)ccc1OC ZINC000374824118 557936491 /nfs/dbraw/zinc/93/64/91/557936491.db2.gz HYYQBJUNBDEVJC-AWEZNQCLSA-N 1 2 358.442 2.352 20 30 FEEDLO Cc1cn2c([nH+]1)CC[C@H](NS(=O)(=O)c1ccc(C#N)cc1Cl)C2 ZINC000374847122 557940211 /nfs/dbraw/zinc/94/02/11/557940211.db2.gz QNVGDXOQRWHNIV-LBPRGKRZSA-N 1 2 350.831 2.010 20 30 FEEDLO N#Cc1ccc(N2CCN(C(=O)c3ccc(Cn4cc[nH+]c4)cc3)CC2)cn1 ZINC000374879144 557945150 /nfs/dbraw/zinc/94/51/50/557945150.db2.gz QJQRXTFFDYVHME-UHFFFAOYSA-N 1 2 372.432 2.160 20 30 FEEDLO Cc1cc(N2CCN(c3ccc(C#N)nc3)CC2)nc(-c2ccncc2)[nH+]1 ZINC000375068522 557973399 /nfs/dbraw/zinc/97/33/99/557973399.db2.gz CZIZZLIQEZEKKN-UHFFFAOYSA-N 1 2 357.421 2.440 20 30 FEEDLO CC[C@@H]1C[N@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@]2(CCOC2)O1 ZINC000376009330 558113402 /nfs/dbraw/zinc/11/34/02/558113402.db2.gz WTQKATGOWKGFFP-QAPCUYQASA-N 1 2 363.845 2.420 20 30 FEEDLO CC[C@@H]1C[N@@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@]2(CCOC2)O1 ZINC000376009330 558113403 /nfs/dbraw/zinc/11/34/03/558113403.db2.gz WTQKATGOWKGFFP-QAPCUYQASA-N 1 2 363.845 2.420 20 30 FEEDLO CC[C@](C)(C#N)C(=O)N1CC[C@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000376189460 558138870 /nfs/dbraw/zinc/13/88/70/558138870.db2.gz VDEGRVHJEMZZLB-HNAYVOBHSA-N 1 2 364.490 2.080 20 30 FEEDLO Cn1cc(C[N@H+](C2CC2)[C@H]2CCS(=O)(=O)C2)c(-c2ccc(C#N)cc2)n1 ZINC000376827775 558226578 /nfs/dbraw/zinc/22/65/78/558226578.db2.gz JZXLWKDBJYMTIV-SFHVURJKSA-N 1 2 370.478 2.110 20 30 FEEDLO Cn1cc(C[N@@H+](C2CC2)[C@H]2CCS(=O)(=O)C2)c(-c2ccc(C#N)cc2)n1 ZINC000376827775 558226580 /nfs/dbraw/zinc/22/65/80/558226580.db2.gz JZXLWKDBJYMTIV-SFHVURJKSA-N 1 2 370.478 2.110 20 30 FEEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+]Cc1nnc2n1C[C@H](C(F)(F)F)CC2 ZINC000377824434 558427354 /nfs/dbraw/zinc/42/73/54/558427354.db2.gz RWRNUEXJHAZKPB-QWHCGFSZSA-N 1 2 373.423 2.306 20 30 FEEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)NCc1ccc(OCC#N)cc1)CCC2 ZINC000378248217 558510993 /nfs/dbraw/zinc/51/09/93/558510993.db2.gz DEHOMWXVWSKZRG-INIZCTEOSA-N 1 2 353.426 2.471 20 30 FEEDLO N#Cc1cccc([C@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)nc3)CCO2)c1 ZINC000378301548 558524160 /nfs/dbraw/zinc/52/41/60/558524160.db2.gz MJOWAUPCRMULSP-GOSISDBHSA-N 1 2 359.389 2.353 20 30 FEEDLO Cn1cc[nH+]c1-c1cccc(CNC(=O)C(=O)Nc2cccc(C#N)c2)c1 ZINC000378382604 558544468 /nfs/dbraw/zinc/54/44/68/558544468.db2.gz HELKYUJBXMPUBT-UHFFFAOYSA-N 1 2 359.389 2.214 20 30 FEEDLO C=CCOCCNC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000378558763 558582726 /nfs/dbraw/zinc/58/27/26/558582726.db2.gz IYXGCMRBAQWDBH-IAGOWNOFSA-N 1 2 367.877 2.214 20 30 FEEDLO C=CCOCCNC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000378558763 558582729 /nfs/dbraw/zinc/58/27/29/558582729.db2.gz IYXGCMRBAQWDBH-IAGOWNOFSA-N 1 2 367.877 2.214 20 30 FEEDLO C[C@@H]1[C@H](C)N(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)CC[N@H+]1C ZINC000408084465 558644970 /nfs/dbraw/zinc/64/49/70/558644970.db2.gz QFFIJXQAAYPZJU-MNOVXSKESA-N 1 2 361.389 2.290 20 30 FEEDLO C[C@@H]1[C@H](C)N(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)CC[N@@H+]1C ZINC000408084465 558644972 /nfs/dbraw/zinc/64/49/72/558644972.db2.gz QFFIJXQAAYPZJU-MNOVXSKESA-N 1 2 361.389 2.290 20 30 FEEDLO CCN(CCC#N)S(=O)(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000409490212 558696875 /nfs/dbraw/zinc/69/68/75/558696875.db2.gz DXULJHLQSIJPDF-UHFFFAOYSA-N 1 2 365.503 2.032 20 30 FEEDLO CCN(CCC#N)S(=O)(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000409557378 558703026 /nfs/dbraw/zinc/70/30/26/558703026.db2.gz YSGITYSIAYUNFG-HNNXBMFYSA-N 1 2 358.895 2.013 20 30 FEEDLO C=CCN1CC[C@H]([N@H+](CCC(=O)OC)Cc2cccc(F)c2F)C1=O ZINC000410395169 558754971 /nfs/dbraw/zinc/75/49/71/558754971.db2.gz MOSZXKRPFUYBFR-HNNXBMFYSA-N 1 2 352.381 2.117 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+](CCC(=O)OC)Cc2cccc(F)c2F)C1=O ZINC000410395169 558754975 /nfs/dbraw/zinc/75/49/75/558754975.db2.gz MOSZXKRPFUYBFR-HNNXBMFYSA-N 1 2 352.381 2.117 20 30 FEEDLO N#Cc1ccc(OC2CCN(C(=O)N[C@H]3CCn4cc[nH+]c4C3)CC2)cc1 ZINC000525982675 562262234 /nfs/dbraw/zinc/26/22/34/562262234.db2.gz TUTASZQQVYIJOY-INIZCTEOSA-N 1 2 365.437 2.323 20 30 FEEDLO C[C@@H](C(=O)OC(C)(C)C)[N@H+](C[C@H](O)COc1ccc(C#N)cc1)C1CC1 ZINC000411911511 558986588 /nfs/dbraw/zinc/98/65/88/558986588.db2.gz HJLUWMDPQXMBPU-YOEHRIQHSA-N 1 2 360.454 2.493 20 30 FEEDLO C[C@@H](C(=O)OC(C)(C)C)[N@@H+](C[C@H](O)COc1ccc(C#N)cc1)C1CC1 ZINC000411911511 558986589 /nfs/dbraw/zinc/98/65/89/558986589.db2.gz HJLUWMDPQXMBPU-YOEHRIQHSA-N 1 2 360.454 2.493 20 30 FEEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2C[C@H](C)C[C@H](O)C2)c1C#N ZINC000412040244 559005323 /nfs/dbraw/zinc/00/53/23/559005323.db2.gz QNRGQOOCCZJFSA-CJNGLKHVSA-N 1 2 370.453 2.259 20 30 FEEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2C[C@H](C)C[C@H](O)C2)c1C#N ZINC000412040244 559005324 /nfs/dbraw/zinc/00/53/24/559005324.db2.gz QNRGQOOCCZJFSA-CJNGLKHVSA-N 1 2 370.453 2.259 20 30 FEEDLO CC(C)Cn1c(SC[C@H](O)C[N@H+](C)CCC#N)nnc1-c1ccco1 ZINC000414094721 559149060 /nfs/dbraw/zinc/14/90/60/559149060.db2.gz IVTZYXUUNHDEJF-CQSZACIVSA-N 1 2 363.487 2.493 20 30 FEEDLO CC(C)Cn1c(SC[C@H](O)C[N@@H+](C)CCC#N)nnc1-c1ccco1 ZINC000414094721 559149061 /nfs/dbraw/zinc/14/90/61/559149061.db2.gz IVTZYXUUNHDEJF-CQSZACIVSA-N 1 2 363.487 2.493 20 30 FEEDLO C=C(C)Cn1c(SC[C@H](O)C[N@H+](C)CCC#N)nnc1-c1ccncc1 ZINC000414165256 559151193 /nfs/dbraw/zinc/15/11/93/559151193.db2.gz PEOAQETYIMCTHT-MRXNPFEDSA-N 1 2 372.498 2.215 20 30 FEEDLO C=C(C)Cn1c(SC[C@H](O)C[N@@H+](C)CCC#N)nnc1-c1ccncc1 ZINC000414165256 559151194 /nfs/dbraw/zinc/15/11/94/559151194.db2.gz PEOAQETYIMCTHT-MRXNPFEDSA-N 1 2 372.498 2.215 20 30 FEEDLO CC1(C)COCC[N@@H+]1CCNC(=O)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000416685025 559329731 /nfs/dbraw/zinc/32/97/31/559329731.db2.gz LROYZUIMTQQEAX-GOSISDBHSA-N 1 2 356.470 2.346 20 30 FEEDLO CC1(C)COCC[N@H+]1CCNC(=O)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000416685025 559329732 /nfs/dbraw/zinc/32/97/32/559329732.db2.gz LROYZUIMTQQEAX-GOSISDBHSA-N 1 2 356.470 2.346 20 30 FEEDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000419628007 559450506 /nfs/dbraw/zinc/45/05/06/559450506.db2.gz YRMGGFMJZYNCFT-KXBFYZLASA-N 1 2 356.470 2.298 20 30 FEEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000421502645 559543900 /nfs/dbraw/zinc/54/39/00/559543900.db2.gz YFFVDLMWYYWQLD-SFHVURJKSA-N 1 2 366.465 2.067 20 30 FEEDLO N#CCC1(O)C[NH+](C[C@@H](O)COC(c2ccccc2)c2ccccc2)C1 ZINC000424132650 559655802 /nfs/dbraw/zinc/65/58/02/559655802.db2.gz IBPRBFVXOWWTOM-LJQANCHMSA-N 1 2 352.434 2.114 20 30 FEEDLO C=CCCn1cc(-c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)nn1 ZINC000424220456 559658352 /nfs/dbraw/zinc/65/83/52/559658352.db2.gz IHVRYISJADDQIU-UHFFFAOYSA-N 1 2 366.425 2.403 20 30 FEEDLO C=CCCn1cc(C(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)nn1 ZINC000424809643 559677370 /nfs/dbraw/zinc/67/73/70/559677370.db2.gz VQMBFVANSXYLCB-UHFFFAOYSA-N 1 2 359.861 2.296 20 30 FEEDLO C=CCCn1cc(C(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)nn1 ZINC000424809643 559677371 /nfs/dbraw/zinc/67/73/71/559677371.db2.gz VQMBFVANSXYLCB-UHFFFAOYSA-N 1 2 359.861 2.296 20 30 FEEDLO C=CCn1cc(CNC(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)nn1 ZINC000425661473 559713597 /nfs/dbraw/zinc/71/35/97/559713597.db2.gz YSVKSZRTBHYJEM-OAHLLOKOSA-N 1 2 370.457 2.179 20 30 FEEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(O)(C(F)F)CC1 ZINC000426474226 559735191 /nfs/dbraw/zinc/73/51/91/559735191.db2.gz ZZRFDLPRNNUAMC-CQSZACIVSA-N 1 2 351.397 2.414 20 30 FEEDLO C=CCCCS(=O)(=O)Nc1ncn(Cc2[nH+]cc(C)c(OC)c2C)n1 ZINC000427794832 559762734 /nfs/dbraw/zinc/76/27/34/559762734.db2.gz WBENHPCZWJTGJV-UHFFFAOYSA-N 1 2 365.459 2.055 20 30 FEEDLO CN(Cc1[nH+]ccn1Cc1ccccc1)S(=O)(=O)c1cccnc1C#N ZINC000428389468 559774644 /nfs/dbraw/zinc/77/46/44/559774644.db2.gz LTWVOLATSUWRAU-UHFFFAOYSA-N 1 2 367.434 2.019 20 30 FEEDLO C[C@@H]1CN(c2ccc(CNC(=O)NCC3(CC#N)CC3)c[nH+]2)C[C@H](C)O1 ZINC000430190649 559815059 /nfs/dbraw/zinc/81/50/59/559815059.db2.gz GVEQYWMKWYRRGA-GASCZTMLSA-N 1 2 357.458 2.188 20 30 FEEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@H](C)c1ncc(Br)cn1 ZINC000431097154 559833963 /nfs/dbraw/zinc/83/39/63/559833963.db2.gz BADSXEBZIJUWMI-NEPJUHHUSA-N 1 2 353.264 2.479 20 30 FEEDLO C=CCC(C)(C)CNc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cn1 ZINC000432157801 559853031 /nfs/dbraw/zinc/85/30/31/559853031.db2.gz YZXUJQLTUCEXLE-UHFFFAOYSA-N 1 2 352.504 2.032 20 30 FEEDLO Cc1c(C#N)cccc1NC(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000432262499 559855016 /nfs/dbraw/zinc/85/50/16/559855016.db2.gz BLGNEJXPZXPETA-UHFFFAOYSA-N 1 2 351.410 2.420 20 30 FEEDLO Cc1ccccc1C(=O)NC1CCN(C(=O)C[N@@H+](C)CC(C)(C)C#N)CC1 ZINC000433296288 559876282 /nfs/dbraw/zinc/87/62/82/559876282.db2.gz RXGKMEORWMXAQY-UHFFFAOYSA-N 1 2 370.497 2.197 20 30 FEEDLO Cc1ccccc1C(=O)NC1CCN(C(=O)C[N@H+](C)CC(C)(C)C#N)CC1 ZINC000433296288 559876283 /nfs/dbraw/zinc/87/62/83/559876283.db2.gz RXGKMEORWMXAQY-UHFFFAOYSA-N 1 2 370.497 2.197 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)NCc2cn3cc(Cl)ccc3[nH+]2)s1 ZINC000435425516 559922538 /nfs/dbraw/zinc/92/25/38/559922538.db2.gz DNKQJRHTHURKKC-UHFFFAOYSA-N 1 2 352.828 2.399 20 30 FEEDLO C=CCN(CC=C)C(=O)C[NH2+][C@H](c1ccc(C)cc1)[C@H](C)S(C)(=O)=O ZINC000435902885 559932068 /nfs/dbraw/zinc/93/20/68/559932068.db2.gz QPHJGQLPDFOOCY-LPHOPBHVSA-N 1 2 364.511 2.259 20 30 FEEDLO CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)N=c1ccn(CCC#N)[nH]1 ZINC000438312177 559976923 /nfs/dbraw/zinc/97/69/23/559976923.db2.gz IXFBLFZORGLYQI-UHFFFAOYSA-N 1 2 363.425 2.705 20 30 FEEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCOC[C@@H]1[C@H]1CCCC1=O ZINC000439428003 559993796 /nfs/dbraw/zinc/99/37/96/559993796.db2.gz FJWSCDKEMAGDCE-GUDVDZBRSA-N 1 2 359.466 2.225 20 30 FEEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCOC[C@@H]1[C@H]1CCCC1=O ZINC000439428003 559993797 /nfs/dbraw/zinc/99/37/97/559993797.db2.gz FJWSCDKEMAGDCE-GUDVDZBRSA-N 1 2 359.466 2.225 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(c3ccc(C(N)=O)cn3)CC2)c(Cl)c1 ZINC000439452005 559994346 /nfs/dbraw/zinc/99/43/46/559994346.db2.gz ZHQCKRKRYWTZBB-UHFFFAOYSA-N 1 2 355.829 2.028 20 30 FEEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000440266053 560007681 /nfs/dbraw/zinc/00/76/81/560007681.db2.gz CIXBJBSQEFEAIN-KBPBESRZSA-N 1 2 360.483 2.039 20 30 FEEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000440266053 560007682 /nfs/dbraw/zinc/00/76/82/560007682.db2.gz CIXBJBSQEFEAIN-KBPBESRZSA-N 1 2 360.483 2.039 20 30 FEEDLO CC(C)(C)OC(=O)C[NH2+][C@]1(C)CCN(C(=O)Cc2ccc(C#N)cc2)C1 ZINC000442812595 560058073 /nfs/dbraw/zinc/05/80/73/560058073.db2.gz AMVXDRXPXUXRIK-HXUWFJFHSA-N 1 2 357.454 2.023 20 30 FEEDLO C[C@H]1CN(c2nccnc2C#N)CCN1Cc1c[nH+]cn1Cc1ccccc1 ZINC000445813405 560135175 /nfs/dbraw/zinc/13/51/75/560135175.db2.gz IAQZQVCGRZNIDX-KRWDZBQOSA-N 1 2 373.464 2.304 20 30 FEEDLO CC(C)c1ccc2ncc(C#N)c(N(C)C[C@@H](O)C[NH+]3CCOCC3)c2c1 ZINC000447676133 560166589 /nfs/dbraw/zinc/16/65/89/560166589.db2.gz BGLIDNGYVQRECM-GOSISDBHSA-N 1 2 368.481 2.359 20 30 FEEDLO COc1ccc(OC)c(C[NH+]2CCN(C(=O)c3cc(C#N)[nH]c3C)CC2)c1 ZINC000448580591 560191148 /nfs/dbraw/zinc/19/11/48/560191148.db2.gz MQVNMVFPUDIXNU-UHFFFAOYSA-N 1 2 368.437 2.170 20 30 FEEDLO Cn1cc[nH+]c1[C@@H](NS(=O)(=O)CC1(CC#N)CC1)c1ccc(F)cc1 ZINC000451005412 560282062 /nfs/dbraw/zinc/28/20/62/560282062.db2.gz PGCWZJQRIDCOKG-HNNXBMFYSA-N 1 2 362.430 2.262 20 30 FEEDLO CN(C)c1ncccc1O[C@H]1CC[N@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000451029903 560283296 /nfs/dbraw/zinc/28/32/96/560283296.db2.gz SFQSXRNSYKUSNQ-KRWDZBQOSA-N 1 2 365.437 2.111 20 30 FEEDLO CN(C)c1ncccc1O[C@H]1CC[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000451029903 560283297 /nfs/dbraw/zinc/28/32/97/560283297.db2.gz SFQSXRNSYKUSNQ-KRWDZBQOSA-N 1 2 365.437 2.111 20 30 FEEDLO CN(C(=O)C[N@@H+]1C[C@H](c2ccccc2)[C@@](F)(CO)C1)C1(C#N)CCCCC1 ZINC000451272304 560297535 /nfs/dbraw/zinc/29/75/35/560297535.db2.gz VUMZSKPJXJSEQC-NQIIRXRSSA-N 1 2 373.472 2.471 20 30 FEEDLO CN(C(=O)C[N@H+]1C[C@H](c2ccccc2)[C@@](F)(CO)C1)C1(C#N)CCCCC1 ZINC000451272304 560297536 /nfs/dbraw/zinc/29/75/36/560297536.db2.gz VUMZSKPJXJSEQC-NQIIRXRSSA-N 1 2 373.472 2.471 20 30 FEEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CC[C@@](O)(C(F)F)C1 ZINC000451428527 560306431 /nfs/dbraw/zinc/30/64/31/560306431.db2.gz KQPGZYDHKHKSSQ-ABKXIKBNSA-N 1 2 355.410 2.137 20 30 FEEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CC[C@@](O)(C(F)F)C1 ZINC000451428527 560306432 /nfs/dbraw/zinc/30/64/32/560306432.db2.gz KQPGZYDHKHKSSQ-ABKXIKBNSA-N 1 2 355.410 2.137 20 30 FEEDLO N#Cc1ccc(CNC(=O)NCc2[nH+]ccn2CC(F)(F)F)cc1F ZINC000454476692 560445979 /nfs/dbraw/zinc/44/59/79/560445979.db2.gz WUGBVJRIKYTTPM-UHFFFAOYSA-N 1 2 355.295 2.456 20 30 FEEDLO Cc1cc(C#N)cc(NC(=O)NCc2cc[nH+]c(N3CCOCC3)c2)c1 ZINC000456010823 560504328 /nfs/dbraw/zinc/50/43/28/560504328.db2.gz URMIYIIRYMZSOZ-UHFFFAOYSA-N 1 2 351.410 2.420 20 30 FEEDLO CN(CC(C)(C)C#N)C(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000458359889 560616911 /nfs/dbraw/zinc/61/69/11/560616911.db2.gz FCOQJEFVJVICKZ-GOSISDBHSA-N 1 2 358.486 2.121 20 30 FEEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 ZINC000459050114 560663926 /nfs/dbraw/zinc/66/39/26/560663926.db2.gz DVGYWYWHBQFIAW-AEFFLSMTSA-N 1 2 366.469 2.384 20 30 FEEDLO CO[C@H]1C[C@@H](NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C12CCC2 ZINC000459300425 560678377 /nfs/dbraw/zinc/67/83/77/560678377.db2.gz KDCSQSBDCQFHLK-MOPGFXCFSA-N 1 2 368.481 2.343 20 30 FEEDLO COC(=O)c1cccnc1CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000459312011 560679033 /nfs/dbraw/zinc/67/90/33/560679033.db2.gz NPPPOUCCOVEPPW-UHFFFAOYSA-N 1 2 350.422 2.058 20 30 FEEDLO Cc1nnc(N2C[C@@H](F)C[C@H]2C[N@@H+](C)Cc2c(C#N)cccc2[N+](=O)[O-])o1 ZINC000459412630 560684985 /nfs/dbraw/zinc/68/49/85/560684985.db2.gz NDXAMUYJQAUNKA-KBPBESRZSA-N 1 2 374.376 2.207 20 30 FEEDLO Cc1nnc(N2C[C@@H](F)C[C@H]2C[N@H+](C)Cc2c(C#N)cccc2[N+](=O)[O-])o1 ZINC000459412630 560684986 /nfs/dbraw/zinc/68/49/86/560684986.db2.gz NDXAMUYJQAUNKA-KBPBESRZSA-N 1 2 374.376 2.207 20 30 FEEDLO CCCN(CC(=O)Nc1ccccc1C)C(=O)C[NH2+][C@H]1CCC[C@H]1C#N ZINC000459460244 560687643 /nfs/dbraw/zinc/68/76/43/560687643.db2.gz JCMVRJVGWPJVMM-WMZOPIPTSA-N 1 2 356.470 2.454 20 30 FEEDLO C=CCN(Cc1cccs1)C(=O)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000459861688 560714436 /nfs/dbraw/zinc/71/44/36/560714436.db2.gz CPLMESMUMKMTJJ-MRXNPFEDSA-N 1 2 371.462 2.338 20 30 FEEDLO CC(C)(C)CN1CCC[C@@H]([NH+]2CCN(c3cccc(C#N)n3)CC2)C1=O ZINC000461371030 560768682 /nfs/dbraw/zinc/76/86/82/560768682.db2.gz GZJCQQYDBFTJAW-QGZVFWFLSA-N 1 2 355.486 2.112 20 30 FEEDLO N#Cc1ccc(OCCNC(=O)NCc2[nH+]ccn2CC(F)(F)F)cc1 ZINC000465951647 560876772 /nfs/dbraw/zinc/87/67/72/560876772.db2.gz NXZLHXDASZCPIA-UHFFFAOYSA-N 1 2 367.331 2.195 20 30 FEEDLO C=CC[C@H](CC)NC(=O)N1CC[NH+](CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000466378307 560885434 /nfs/dbraw/zinc/88/54/34/560885434.db2.gz KTLRZRTWQUPYRG-IRXDYDNUSA-N 1 2 350.507 2.069 20 30 FEEDLO C[C@@H]1CCC[C@@H](C)[NH+]1CCNS(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000467154694 560905060 /nfs/dbraw/zinc/90/50/60/560905060.db2.gz ZTTPLMLPRGHERJ-VXGBXAGGSA-N 1 2 357.426 2.378 20 30 FEEDLO CC[C@H]1C[N@H+](CCNC(=O)CCCCOc2cccc(C#N)c2)CCO1 ZINC000470450218 560982428 /nfs/dbraw/zinc/98/24/28/560982428.db2.gz VWJYBGKZOPSWNK-SFHVURJKSA-N 1 2 359.470 2.334 20 30 FEEDLO CC[C@H]1C[N@@H+](CCNC(=O)CCCCOc2cccc(C#N)c2)CCO1 ZINC000470450218 560982429 /nfs/dbraw/zinc/98/24/29/560982429.db2.gz VWJYBGKZOPSWNK-SFHVURJKSA-N 1 2 359.470 2.334 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCN(c2ccc3ccccc3n2)CC1 ZINC000471185753 560999905 /nfs/dbraw/zinc/99/99/05/560999905.db2.gz DJPJZDIBQJIYNC-NRFANRHFSA-N 1 2 365.481 2.411 20 30 FEEDLO N#CCCn1cc(C[NH2+]Cc2nnnn2CC2CC2)c(-c2ccccc2)n1 ZINC000472057060 561016938 /nfs/dbraw/zinc/01/69/38/561016938.db2.gz DBWBIVOYSVCSOB-UHFFFAOYSA-N 1 2 362.441 2.150 20 30 FEEDLO Cn1ncc(C(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)c1C#N ZINC000474593112 561077885 /nfs/dbraw/zinc/07/78/85/561077885.db2.gz JOMHBLALWVCTPY-UHFFFAOYSA-N 1 2 357.845 2.293 20 30 FEEDLO Cn1ncc(C(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)c1C#N ZINC000474593112 561077886 /nfs/dbraw/zinc/07/78/86/561077886.db2.gz JOMHBLALWVCTPY-UHFFFAOYSA-N 1 2 357.845 2.293 20 30 FEEDLO CCC(C#N)(CC)C(=O)Nc1ccc(C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000528396817 562326911 /nfs/dbraw/zinc/32/69/11/562326911.db2.gz SMJHNDXLNHEHFY-UHFFFAOYSA-N 1 2 372.469 2.017 20 30 FEEDLO C[C@H](c1nccs1)N1CC[NH+](C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000528453101 562330088 /nfs/dbraw/zinc/33/00/88/562330088.db2.gz XMLBBQOVBADCQB-NVXWUHKLSA-N 1 2 372.494 2.133 20 30 FEEDLO N#Cc1sccc1N1CC[NH+](C[C@H](O)COc2ccccc2C#N)CC1 ZINC000528546533 562335336 /nfs/dbraw/zinc/33/53/36/562335336.db2.gz AMXVPBMTKGXCKZ-INIZCTEOSA-N 1 2 368.462 2.053 20 30 FEEDLO COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)c2ccc(C#N)c(O)c2)cc1 ZINC000529836980 562387669 /nfs/dbraw/zinc/38/76/69/562387669.db2.gz PASKSBOMCIJBSH-KRWDZBQOSA-N 1 2 351.406 2.277 20 30 FEEDLO COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)c2ccc(C#N)c(O)c2)cc1 ZINC000529836980 562387670 /nfs/dbraw/zinc/38/76/70/562387670.db2.gz PASKSBOMCIJBSH-KRWDZBQOSA-N 1 2 351.406 2.277 20 30 FEEDLO C[NH+]1CCC(n2ccc(NS(=O)(=O)c3ccccc3CC#N)n2)CC1 ZINC000530284613 562405376 /nfs/dbraw/zinc/40/53/76/562405376.db2.gz SUOYRTMHJRNFSY-UHFFFAOYSA-N 1 2 359.455 2.017 20 30 FEEDLO COC(=O)COc1ccc(CNc2cc(CC#N)cc[nH+]2)cc1[N+](=O)[O-] ZINC000530437093 562411275 /nfs/dbraw/zinc/41/12/75/562411275.db2.gz HATRPOLUWBPGIB-UHFFFAOYSA-N 1 2 356.338 2.220 20 30 FEEDLO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000531245800 562439496 /nfs/dbraw/zinc/43/94/96/562439496.db2.gz PWRWQZVTZAMZKM-KRWDZBQOSA-N 1 2 358.486 2.447 20 30 FEEDLO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000531245800 562439497 /nfs/dbraw/zinc/43/94/97/562439497.db2.gz PWRWQZVTZAMZKM-KRWDZBQOSA-N 1 2 358.486 2.447 20 30 FEEDLO CCn1cc[nH+]c1CN1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000532642596 562484111 /nfs/dbraw/zinc/48/41/11/562484111.db2.gz DHJQBXJDESYOGM-UHFFFAOYSA-N 1 2 352.398 2.345 20 30 FEEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+](C)C[C@H]1CCS(=O)(=O)C1 ZINC000532970546 562494227 /nfs/dbraw/zinc/49/42/27/562494227.db2.gz PUOXDVDPSMNYRQ-HUUCEWRRSA-N 1 2 370.540 2.018 20 30 FEEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+](C)C[C@H]1CCS(=O)(=O)C1 ZINC000532970546 562494228 /nfs/dbraw/zinc/49/42/28/562494228.db2.gz PUOXDVDPSMNYRQ-HUUCEWRRSA-N 1 2 370.540 2.018 20 30 FEEDLO N#Cc1ccc([C@H](C(N)=O)[NH+]2CCC(C(=O)Nc3ccccc3)CC2)cc1 ZINC000533215587 562501818 /nfs/dbraw/zinc/50/18/18/562501818.db2.gz NYRUQWBSAKHZQP-LJQANCHMSA-N 1 2 362.433 2.435 20 30 FEEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+](C)[C@H]1CCNC1=O ZINC000533932675 562521577 /nfs/dbraw/zinc/52/15/77/562521577.db2.gz JFFKMAYWZGKZIM-RISCZKNCSA-N 1 2 360.483 2.036 20 30 FEEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+](C)[C@H]1CCNC1=O ZINC000533932675 562521578 /nfs/dbraw/zinc/52/15/78/562521578.db2.gz JFFKMAYWZGKZIM-RISCZKNCSA-N 1 2 360.483 2.036 20 30 FEEDLO N#CCCN(CCC#N)C(=O)C[NH+]1CC(c2nc3ccccc3s2)C1 ZINC000534215844 562527707 /nfs/dbraw/zinc/52/77/07/562527707.db2.gz UXGLXCDEFZJYHO-UHFFFAOYSA-N 1 2 353.451 2.351 20 30 FEEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+](C)[C@H]2CCNC2=O)c1C#N ZINC000534667575 562539792 /nfs/dbraw/zinc/53/97/92/562539792.db2.gz UHEZYZKOFQKXMJ-KRWDZBQOSA-N 1 2 371.485 2.241 20 30 FEEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+](C)[C@H]2CCNC2=O)c1C#N ZINC000534667575 562539793 /nfs/dbraw/zinc/53/97/93/562539793.db2.gz UHEZYZKOFQKXMJ-KRWDZBQOSA-N 1 2 371.485 2.241 20 30 FEEDLO CSc1[nH]c(=O)c(C(=O)N[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)cc1C#N ZINC000540901622 562596194 /nfs/dbraw/zinc/59/61/94/562596194.db2.gz NSQVIEGTBTZYQG-CVEARBPZSA-N 1 2 368.462 2.208 20 30 FEEDLO CSc1[nH]c(=O)c(C(=O)N[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)cc1C#N ZINC000540901622 562596195 /nfs/dbraw/zinc/59/61/95/562596195.db2.gz NSQVIEGTBTZYQG-CVEARBPZSA-N 1 2 368.462 2.208 20 30 FEEDLO CC(=O)NCC[N@H+](Cc1ccc(CC#N)cc1)[C@@H](C)C(=O)OC(C)(C)C ZINC000541327107 562609469 /nfs/dbraw/zinc/60/94/69/562609469.db2.gz SMLKCTFNOPNEAP-HNNXBMFYSA-N 1 2 359.470 2.421 20 30 FEEDLO CC(=O)NCC[N@@H+](Cc1ccc(CC#N)cc1)[C@@H](C)C(=O)OC(C)(C)C ZINC000541327107 562609470 /nfs/dbraw/zinc/60/94/70/562609470.db2.gz SMLKCTFNOPNEAP-HNNXBMFYSA-N 1 2 359.470 2.421 20 30 FEEDLO CC(=O)c1ccccc1OCC[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000545506093 562628397 /nfs/dbraw/zinc/62/83/97/562628397.db2.gz IRCUCDNOFFOHRD-UHFFFAOYSA-N 1 2 350.422 2.357 20 30 FEEDLO CC(C)CCC[C@@H](C)NC(=O)C[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000546212047 562635126 /nfs/dbraw/zinc/63/51/26/562635126.db2.gz UXEUPDWGGZZPAM-QGZVFWFLSA-N 1 2 357.502 2.406 20 30 FEEDLO C=C(C)CNC(=S)N1CC[NH+]([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000806610150 674383675 /nfs/dbraw/zinc/38/36/75/674383675.db2.gz WHDDVQBRATUWIM-HNNXBMFYSA-N 1 2 368.547 2.064 20 30 FEEDLO C=CCN(Cc1cccs1)C(=O)C(=O)NCCCNc1cccc[nH+]1 ZINC000556246556 674393412 /nfs/dbraw/zinc/39/34/12/674393412.db2.gz UZPQNAKCPYJLOJ-UHFFFAOYSA-N 1 2 358.467 2.276 20 30 FEEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)CC1 ZINC000602087265 567921519 /nfs/dbraw/zinc/92/15/19/567921519.db2.gz BYMNSPFPRQHPEA-KBPBESRZSA-N 1 2 357.380 2.069 20 30 FEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@H]1[C@@H]2c3cccc(Br)c3C[C@H]12 ZINC000602331553 567969203 /nfs/dbraw/zinc/96/92/03/567969203.db2.gz FONSCTMKORXEPO-CRNXPOROSA-N 1 2 362.271 2.295 20 30 FEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21 ZINC000602335282 567969530 /nfs/dbraw/zinc/96/95/30/567969530.db2.gz VMBHKXNSZMINEZ-DLTWYDFYSA-N 1 2 362.271 2.295 20 30 FEEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602854818 568002079 /nfs/dbraw/zinc/00/20/79/568002079.db2.gz DVIQRLLNKHFAGL-BBWFWOEESA-N 1 2 371.460 2.379 20 30 FEEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602854818 568002080 /nfs/dbraw/zinc/00/20/80/568002080.db2.gz DVIQRLLNKHFAGL-BBWFWOEESA-N 1 2 371.460 2.379 20 30 FEEDLO CSc1ccc(CN(C)C(=O)C[NH+]2C[C@@H](C)N(CC#N)[C@H](C)C2)cc1 ZINC000602855683 568002234 /nfs/dbraw/zinc/00/22/34/568002234.db2.gz IGENBPBYXJFVMW-HZPDHXFCSA-N 1 2 360.527 2.285 20 30 FEEDLO C[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2OC(F)F)C[C@H](C)N1CC#N ZINC000602857442 568002746 /nfs/dbraw/zinc/00/27/46/568002746.db2.gz RIXZUKQFVSAKKK-BETUJISGSA-N 1 2 352.385 2.145 20 30 FEEDLO C[C@@H]1C[N@H+](CC(=O)Nc2ccccc2OC(F)F)C[C@H](C)N1CC#N ZINC000602857442 568002747 /nfs/dbraw/zinc/00/27/47/568002747.db2.gz RIXZUKQFVSAKKK-BETUJISGSA-N 1 2 352.385 2.145 20 30 FEEDLO N#CCC1(C[N@H+]2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)CC1 ZINC000602764357 568033870 /nfs/dbraw/zinc/03/38/70/568033870.db2.gz ACQDPEXWIZJQHL-UHFFFAOYSA-N 1 2 351.447 2.216 20 30 FEEDLO N#CCC1(C[N@@H+]2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)CC1 ZINC000602764357 568033871 /nfs/dbraw/zinc/03/38/71/568033871.db2.gz ACQDPEXWIZJQHL-UHFFFAOYSA-N 1 2 351.447 2.216 20 30 FEEDLO COc1cc2c(cc1OC)CN(C(=O)C[N@H+](C)[C@@H]1CCC[C@@H]1C#N)CC2 ZINC000602974842 568035354 /nfs/dbraw/zinc/03/53/54/568035354.db2.gz VAYAAUMXDKYGNC-NVXWUHKLSA-N 1 2 357.454 2.213 20 30 FEEDLO COc1cc2c(cc1OC)CN(C(=O)C[N@@H+](C)[C@@H]1CCC[C@@H]1C#N)CC2 ZINC000602974842 568035356 /nfs/dbraw/zinc/03/53/56/568035356.db2.gz VAYAAUMXDKYGNC-NVXWUHKLSA-N 1 2 357.454 2.213 20 30 FEEDLO C[N@@H+]1CCc2c(cccc2S(=O)(=O)NCc2ccc(CC#N)cc2)C1 ZINC000603364992 568091378 /nfs/dbraw/zinc/09/13/78/568091378.db2.gz CGRMSHBZZNWFPW-UHFFFAOYSA-N 1 2 355.463 2.219 20 30 FEEDLO C[N@H+]1CCc2c(cccc2S(=O)(=O)NCc2ccc(CC#N)cc2)C1 ZINC000603364992 568091379 /nfs/dbraw/zinc/09/13/79/568091379.db2.gz CGRMSHBZZNWFPW-UHFFFAOYSA-N 1 2 355.463 2.219 20 30 FEEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)CC(=O)N(C)C1CCCCC1 ZINC000603876590 568175258 /nfs/dbraw/zinc/17/52/58/568175258.db2.gz ICZYONRCJVBXPL-MRXNPFEDSA-N 1 2 362.518 2.440 20 30 FEEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)CC(=O)N(C)C1CCCCC1 ZINC000603876590 568175259 /nfs/dbraw/zinc/17/52/59/568175259.db2.gz ICZYONRCJVBXPL-MRXNPFEDSA-N 1 2 362.518 2.440 20 30 FEEDLO C=CCCC(=O)N1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC000735408531 598328264 /nfs/dbraw/zinc/32/82/64/598328264.db2.gz NFHQUFQSNCSFRZ-UHFFFAOYSA-N 1 2 363.425 2.030 20 30 FEEDLO Cc1nc(-c2nn[nH]n2)c(N=NC2C[N@@H+](Cc3ccccc3)C[C@@H]2C)o1 ZINC000822423507 606340173 /nfs/dbraw/zinc/34/01/73/606340173.db2.gz LKXHIHFKJKYDJE-NSHDSACASA-N 1 2 352.402 2.083 20 30 FEEDLO Cc1nc(-c2nn[nH]n2)c(N=NC2C[N@H+](Cc3ccccc3)C[C@@H]2C)o1 ZINC000822423507 606340174 /nfs/dbraw/zinc/34/01/74/606340174.db2.gz LKXHIHFKJKYDJE-NSHDSACASA-N 1 2 352.402 2.083 20 30 FEEDLO C=CC[N@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1cc(=O)c(OC)co1 ZINC000819745397 606746844 /nfs/dbraw/zinc/74/68/44/606746844.db2.gz BCLBBCNYZPBVKB-UHFFFAOYSA-N 1 2 353.382 2.017 20 30 FEEDLO C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1cc(=O)c(OC)co1 ZINC000819745397 606746845 /nfs/dbraw/zinc/74/68/45/606746845.db2.gz BCLBBCNYZPBVKB-UHFFFAOYSA-N 1 2 353.382 2.017 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(c3cccc(F)c3-c3nn[nH]n3)CC2)s1 ZINC000826385031 608596252 /nfs/dbraw/zinc/59/62/52/608596252.db2.gz UQDGUHFOEPNFHL-UHFFFAOYSA-N 1 2 369.429 2.261 20 30 FEEDLO Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000826334995 609501137 /nfs/dbraw/zinc/50/11/37/609501137.db2.gz SPIYPZKXFBHNQX-GOSISDBHSA-N 1 2 363.429 2.017 20 30 FEEDLO Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[N@H+]1CCC[C@](C)(C#N)C1 ZINC000826334995 609501139 /nfs/dbraw/zinc/50/11/39/609501139.db2.gz SPIYPZKXFBHNQX-GOSISDBHSA-N 1 2 363.429 2.017 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000562589245 674773124 /nfs/dbraw/zinc/77/31/24/674773124.db2.gz WJKMWWFXECLUGX-NCOADZHNSA-N 1 2 351.397 2.353 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000562589245 674773126 /nfs/dbraw/zinc/77/31/26/674773126.db2.gz WJKMWWFXECLUGX-NCOADZHNSA-N 1 2 351.397 2.353 20 30 FEEDLO CC[C@@H]1[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CCN1c1nc(C#N)c(Cl)s1 ZINC001049022139 675021387 /nfs/dbraw/zinc/02/13/87/675021387.db2.gz LVWMQZYPSQYMOD-CMPLNLGQSA-N 1 2 364.862 2.107 20 30 FEEDLO COc1ccccc1CNC(=O)CO[NH+]=C(N)Cc1ccc(Cl)cc1 ZINC000106067397 670809459 /nfs/dbraw/zinc/80/94/59/670809459.db2.gz IYYGIYHOSTYEDY-UHFFFAOYSA-N 1 2 361.829 2.496 20 30 FEEDLO C=CCSc1nc2ccccc2n1C[N@@H+](C)CC(=O)N1CCOCC1 ZINC000111163634 670854532 /nfs/dbraw/zinc/85/45/32/670854532.db2.gz MBPAJTGVZNTUSI-UHFFFAOYSA-N 1 2 360.483 2.063 20 30 FEEDLO C=CCSc1nc2ccccc2n1C[N@H+](C)CC(=O)N1CCOCC1 ZINC000111163634 670854538 /nfs/dbraw/zinc/85/45/38/670854538.db2.gz MBPAJTGVZNTUSI-UHFFFAOYSA-N 1 2 360.483 2.063 20 30 FEEDLO COC(=O)c1nc(N2CC[NH+](Cc3ccc(C#N)cc3)CC2)sc1C ZINC000574843373 671280679 /nfs/dbraw/zinc/28/06/79/671280679.db2.gz QTMXZWSIOOOXOW-UHFFFAOYSA-N 1 2 356.451 2.432 20 30 FEEDLO C[NH+](C)Cc1cc(NS(=O)(=O)c2cncc(C#N)c2)ccc1Cl ZINC000575377124 671311277 /nfs/dbraw/zinc/31/12/77/671311277.db2.gz WZNMUKKVSZYFQE-UHFFFAOYSA-N 1 2 350.831 2.469 20 30 FEEDLO CSc1[nH]c(=O)c(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)cc1C#N ZINC000608916029 675906894 /nfs/dbraw/zinc/90/68/94/675906894.db2.gz SVJMFGKJCBJKND-UHFFFAOYSA-N 1 2 352.379 2.214 20 30 FEEDLO CC(C)(C#N)CCS(=O)(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000578371002 671660519 /nfs/dbraw/zinc/66/05/19/671660519.db2.gz FMZKKENAIAZCCQ-UHFFFAOYSA-N 1 2 355.529 2.178 20 30 FEEDLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1C(F)(F)F ZINC000580306133 671796477 /nfs/dbraw/zinc/79/64/77/671796477.db2.gz RTSHATXTVILFFD-ZDUSSCGKSA-N 1 2 361.389 2.091 20 30 FEEDLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1Cc1ccc(C#N)cc1C(F)(F)F ZINC000580306133 671796479 /nfs/dbraw/zinc/79/64/79/671796479.db2.gz RTSHATXTVILFFD-ZDUSSCGKSA-N 1 2 361.389 2.091 20 30 FEEDLO CCc1ccc(CNC(=O)CO[NH+]=C(N)c2ccc3c(c2)CCO3)s1 ZINC000158220411 672267319 /nfs/dbraw/zinc/26/73/19/672267319.db2.gz KORKJDRWOMBNFM-UHFFFAOYSA-N 1 2 359.451 2.199 20 30 FEEDLO CSc1nc(C2CC2)cc(C(=O)N[C@H]2CCc3c[nH+]cn3C2)c1C#N ZINC000587061561 672440414 /nfs/dbraw/zinc/44/04/14/672440414.db2.gz HOIJEVDOABMDRH-LBPRGKRZSA-N 1 2 353.451 2.494 20 30 FEEDLO C=CCCCC[NH+]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000590684819 672601955 /nfs/dbraw/zinc/60/19/55/672601955.db2.gz XFZMHSQKSHOXSZ-UHFFFAOYSA-N 1 2 353.444 2.257 20 30 FEEDLO CNS(=O)(=O)c1cccc(C(=O)/C=C\c2c[nH+]c3ccc(C)cn23)c1 ZINC000255513302 672892043 /nfs/dbraw/zinc/89/20/43/672892043.db2.gz FVYSATHWKJMYBB-FPLPWBNLSA-N 1 2 355.419 2.447 20 30 FEEDLO Cc1ncsc1C[N@H+]1C[C@@H](F)C[C@H]1CN(C)C(=O)NC1CCOCC1 ZINC000329929888 673084797 /nfs/dbraw/zinc/08/47/97/673084797.db2.gz ZEGRBLGOWJKNCH-ZFWWWQNUSA-N 1 2 370.494 2.389 20 30 FEEDLO Cc1ncsc1C[N@@H+]1C[C@@H](F)C[C@H]1CN(C)C(=O)NC1CCOCC1 ZINC000329929888 673084799 /nfs/dbraw/zinc/08/47/99/673084799.db2.gz ZEGRBLGOWJKNCH-ZFWWWQNUSA-N 1 2 370.494 2.389 20 30 FEEDLO CC(=O)N1CCC[C@@H](CNC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000329995340 673085317 /nfs/dbraw/zinc/08/53/17/673085317.db2.gz NAMTWSNABGWDQP-INIZCTEOSA-N 1 2 364.515 2.038 20 30 FEEDLO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CCC[C@@H](c3ccncn3)C2)C1=O ZINC000370235046 673149459 /nfs/dbraw/zinc/14/94/59/673149459.db2.gz CJSXWVKFHIHBSL-GDBMZVCRSA-N 1 2 353.451 2.395 20 30 FEEDLO N#Cc1ccsc1N1CC[C@@H]([N@H+]2CCC[C@@H](c3ccncn3)C2)C1=O ZINC000370235046 673149460 /nfs/dbraw/zinc/14/94/60/673149460.db2.gz CJSXWVKFHIHBSL-GDBMZVCRSA-N 1 2 353.451 2.395 20 30 FEEDLO C=CC[N@H+](CC(=O)Nc1sc2c(c1C(=O)OC)CCC2)[C@@H](C)COC ZINC000595638650 673277426 /nfs/dbraw/zinc/27/74/26/673277426.db2.gz JPVDZRBHKDBZSY-LBPRGKRZSA-N 1 2 366.483 2.485 20 30 FEEDLO C=CC[N@@H+](CC(=O)Nc1sc2c(c1C(=O)OC)CCC2)[C@@H](C)COC ZINC000595638650 673277429 /nfs/dbraw/zinc/27/74/29/673277429.db2.gz JPVDZRBHKDBZSY-LBPRGKRZSA-N 1 2 366.483 2.485 20 30 FEEDLO C[C@@H]1C[N@H+](C[C@H](O)COc2ccc(C#N)cc2)C[C@@H](CC(F)(F)F)O1 ZINC000595891316 673335577 /nfs/dbraw/zinc/33/55/77/673335577.db2.gz POVHJDJSVTZYKO-IVMMDQJWSA-N 1 2 358.360 2.340 20 30 FEEDLO C[C@@H]1C[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)C[C@@H](CC(F)(F)F)O1 ZINC000595891316 673335583 /nfs/dbraw/zinc/33/55/83/673335583.db2.gz POVHJDJSVTZYKO-IVMMDQJWSA-N 1 2 358.360 2.340 20 30 FEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000732140124 673354939 /nfs/dbraw/zinc/35/49/39/673354939.db2.gz WHBPGVBQSWZRHC-IRXDYDNUSA-N 1 2 359.857 2.001 20 30 FEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000732140124 673354944 /nfs/dbraw/zinc/35/49/44/673354944.db2.gz WHBPGVBQSWZRHC-IRXDYDNUSA-N 1 2 359.857 2.001 20 30 FEEDLO N#CC[C@@H]1CCCN(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)C1 ZINC000601649139 673890789 /nfs/dbraw/zinc/89/07/89/673890789.db2.gz YPUMOMBANQYIKT-HNNXBMFYSA-N 1 2 359.499 2.470 20 30 FEEDLO Cc1cc(C#N)ccc1S(=O)(=O)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC000601979512 673900945 /nfs/dbraw/zinc/90/09/45/673900945.db2.gz NNVURSWHCBOOFU-UHFFFAOYSA-N 1 2 359.455 2.131 20 30 FEEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3CCCS3)n2CCCOCC)CC1 ZINC000818321846 675214103 /nfs/dbraw/zinc/21/41/03/675214103.db2.gz JXYSZKGYVZQSCK-INIZCTEOSA-N 1 2 363.531 2.028 20 30 FEEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)nn1 ZINC000648840185 677321468 /nfs/dbraw/zinc/32/14/68/677321468.db2.gz GCVJDVUAUZSNOM-GOEBONIOSA-N 1 2 363.824 2.432 20 30 FEEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)nn1 ZINC000648840185 677321469 /nfs/dbraw/zinc/32/14/69/677321469.db2.gz GCVJDVUAUZSNOM-GOEBONIOSA-N 1 2 363.824 2.432 20 30 FEEDLO N#Cc1ccc(NC(=S)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1Cl ZINC000840802859 680843820 /nfs/dbraw/zinc/84/38/20/680843820.db2.gz LBWOQNBHDCNBSS-OKILXGFUSA-N 1 2 350.875 2.361 20 30 FEEDLO N#Cc1ccc(NC(=S)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc1Cl ZINC000840802859 680843823 /nfs/dbraw/zinc/84/38/23/680843823.db2.gz LBWOQNBHDCNBSS-OKILXGFUSA-N 1 2 350.875 2.361 20 30 FEEDLO C#CCNC(=O)C1CC[NH+]([C@@H](C)C(=O)Nc2ccc(C)cc2Cl)CC1 ZINC000747818462 679905175 /nfs/dbraw/zinc/90/51/75/679905175.db2.gz SLHXXWJRQXVPOF-AWEZNQCLSA-N 1 2 361.873 2.437 20 30 FEEDLO C#CCNC(=O)C1CC[NH+]([C@H](C)C(=O)Nc2ccc(C)cc2Cl)CC1 ZINC000747818464 679905379 /nfs/dbraw/zinc/90/53/79/679905379.db2.gz SLHXXWJRQXVPOF-CQSZACIVSA-N 1 2 361.873 2.437 20 30 FEEDLO CC(C)COC(=O)N1CC[NH+](CCC(=O)Nc2sccc2C#N)CC1 ZINC000749255070 680034370 /nfs/dbraw/zinc/03/43/70/680034370.db2.gz AUWOCSUORSUIGS-UHFFFAOYSA-N 1 2 364.471 2.359 20 30 FEEDLO NC(=[NH+]OCC(=O)NCCOc1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000749787284 680074726 /nfs/dbraw/zinc/07/47/26/680074726.db2.gz IWYIUCYIRUZZLY-UHFFFAOYSA-N 1 2 365.792 2.311 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@]12CCC[C@H]1[N@H+](Cc1nnc(C)s1)CC2 ZINC000992184055 680095184 /nfs/dbraw/zinc/09/51/84/680095184.db2.gz VXFWGHGOFMMUAM-FSZRXZPDSA-N 1 2 362.499 2.051 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@]12CCC[C@H]1[N@@H+](Cc1nnc(C)s1)CC2 ZINC000992184055 680095187 /nfs/dbraw/zinc/09/51/87/680095187.db2.gz VXFWGHGOFMMUAM-FSZRXZPDSA-N 1 2 362.499 2.051 20 30 FEEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001021489648 680159241 /nfs/dbraw/zinc/15/92/41/680159241.db2.gz ALGMPLWGQJLNKY-UONOGXRCSA-N 1 2 364.877 2.180 20 30 FEEDLO C=C[C@@](C)(O)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC000832822885 680181050 /nfs/dbraw/zinc/18/10/50/680181050.db2.gz BDVVBBMOZZREFH-MRXNPFEDSA-N 1 2 368.275 2.076 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CC(=C)Br ZINC001024660984 680299046 /nfs/dbraw/zinc/29/90/46/680299046.db2.gz VPSYBSXIRXEFDC-ZNMIVQPWSA-N 1 2 357.292 2.457 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CC(=C)Br ZINC001024660984 680299047 /nfs/dbraw/zinc/29/90/47/680299047.db2.gz VPSYBSXIRXEFDC-ZNMIVQPWSA-N 1 2 357.292 2.457 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1Cc1csnc1OC ZINC001027888470 680361592 /nfs/dbraw/zinc/36/15/92/680361592.db2.gz PXWMMVDLZOFJFZ-OAGGEKHMSA-N 1 2 365.499 2.214 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1Cc1csnc1OC ZINC001027888470 680361595 /nfs/dbraw/zinc/36/15/95/680361595.db2.gz PXWMMVDLZOFJFZ-OAGGEKHMSA-N 1 2 365.499 2.214 20 30 FEEDLO C=C(Br)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCO[C@H]1C(=C)C ZINC001028197421 680372669 /nfs/dbraw/zinc/37/26/69/680372669.db2.gz IIVZXBGBRYJKIQ-ILXRZTDVSA-N 1 2 357.292 2.457 20 30 FEEDLO C=C(Br)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCO[C@H]1C(=C)C ZINC001028197421 680372672 /nfs/dbraw/zinc/37/26/72/680372672.db2.gz IIVZXBGBRYJKIQ-ILXRZTDVSA-N 1 2 357.292 2.457 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2nnc(CC)s2)C1 ZINC001028549442 680374862 /nfs/dbraw/zinc/37/48/62/680374862.db2.gz QFPNPDHEWOXRLZ-ZNMIVQPWSA-N 1 2 364.515 2.020 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2nnc(CC)s2)C1 ZINC001028549442 680374866 /nfs/dbraw/zinc/37/48/66/680374866.db2.gz QFPNPDHEWOXRLZ-ZNMIVQPWSA-N 1 2 364.515 2.020 20 30 FEEDLO O=C(NCC1C[NH+](CC#Cc2cccc(Cl)c2)C1)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001031992170 680410931 /nfs/dbraw/zinc/41/09/31/680410931.db2.gz NWKUBHYUCDNWBX-QRVBRYPASA-N 1 2 358.869 2.307 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2cc(OC)ns2)C1 ZINC001033086527 680415932 /nfs/dbraw/zinc/41/59/32/680415932.db2.gz JMDHXGBQYWQMSN-IMJJTQAJSA-N 1 2 365.499 2.166 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2cc(OC)ns2)C1 ZINC001033086527 680415935 /nfs/dbraw/zinc/41/59/35/680415935.db2.gz JMDHXGBQYWQMSN-IMJJTQAJSA-N 1 2 365.499 2.166 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cnns1 ZINC001045781042 680640382 /nfs/dbraw/zinc/64/03/82/680640382.db2.gz RXQXGBGDZZMBSR-WTTBNOFXSA-N 1 2 362.499 2.085 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cnns1 ZINC001045781042 680640385 /nfs/dbraw/zinc/64/03/85/680640385.db2.gz RXQXGBGDZZMBSR-WTTBNOFXSA-N 1 2 362.499 2.085 20 30 FEEDLO C=CCn1c(=O)c2ccc(-c3nc([C@@H]4CCC[NH2+]4)no3)cc2[nH]c1=S ZINC000842646204 680956994 /nfs/dbraw/zinc/95/69/94/680956994.db2.gz PRZFFYHFAZSROP-LBPRGKRZSA-N 1 2 355.423 2.346 20 30 FEEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3ccc(C)s3)C2)CC1 ZINC001052093134 681071239 /nfs/dbraw/zinc/07/12/39/681071239.db2.gz JQLXZBFONMOQAE-KZNAEPCWSA-N 1 2 357.523 2.012 20 30 FEEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F)CO2 ZINC001053847292 681104257 /nfs/dbraw/zinc/10/42/57/681104257.db2.gz CMMHRYNQKTWPCY-KFWWJZLASA-N 1 2 358.404 2.338 20 30 FEEDLO COC(=O)c1cccc(CO[NH+]=C(N)c2ccc(Br)cc2)n1 ZINC000774833978 681239331 /nfs/dbraw/zinc/23/93/31/681239331.db2.gz RYXACXMQNMSRGC-UHFFFAOYSA-N 1 2 364.199 2.468 20 30 FEEDLO CCOC(C[N@H+](CC)[C@@H]1CCN(c2sccc2C#N)C1=O)OCC ZINC000846974037 681314956 /nfs/dbraw/zinc/31/49/56/681314956.db2.gz IOLDETVLYFKKAA-CQSZACIVSA-N 1 2 351.472 2.446 20 30 FEEDLO CCOC(C[N@@H+](CC)[C@@H]1CCN(c2sccc2C#N)C1=O)OCC ZINC000846974037 681314959 /nfs/dbraw/zinc/31/49/59/681314959.db2.gz IOLDETVLYFKKAA-CQSZACIVSA-N 1 2 351.472 2.446 20 30 FEEDLO C=CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932945644 681332949 /nfs/dbraw/zinc/33/29/49/681332949.db2.gz HIKHMANVLZHLLW-OCAPTIKFSA-N 1 2 366.252 2.391 20 30 FEEDLO C=CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932945644 681332951 /nfs/dbraw/zinc/33/29/51/681332951.db2.gz HIKHMANVLZHLLW-OCAPTIKFSA-N 1 2 366.252 2.391 20 30 FEEDLO N#Cc1ccc(Cl)cc1NC(=O)C[NH+]1CCC2(CC1)C[C@H](O)CCO2 ZINC000933067187 681358851 /nfs/dbraw/zinc/35/88/51/681358851.db2.gz NHLCQMPYMFVIAZ-OAHLLOKOSA-N 1 2 363.845 2.156 20 30 FEEDLO CC(=[NH+]NC1CCS(=O)(=O)CC1)c1cc(Cl)c(N)c(Cl)c1 ZINC000776790345 681435921 /nfs/dbraw/zinc/43/59/21/681435921.db2.gz APGUWIKFKSTPMB-UHFFFAOYSA-N 1 2 350.271 2.466 20 30 FEEDLO CNC(=O)c1cccc(NC(=O)[C@H](C)[N@H+](C)Cc2cc(C#N)cs2)c1 ZINC000933776300 681466987 /nfs/dbraw/zinc/46/69/87/681466987.db2.gz AJIYCBVXQHTSAU-LBPRGKRZSA-N 1 2 356.451 2.438 20 30 FEEDLO CNC(=O)c1cccc(NC(=O)[C@H](C)[N@@H+](C)Cc2cc(C#N)cs2)c1 ZINC000933776300 681466992 /nfs/dbraw/zinc/46/69/92/681466992.db2.gz AJIYCBVXQHTSAU-LBPRGKRZSA-N 1 2 356.451 2.438 20 30 FEEDLO CCOC(=O)C1CCN(C(=O)[C@@H](C)[N@H+](C)Cc2cc(C#N)cs2)CC1 ZINC000933775598 681467099 /nfs/dbraw/zinc/46/70/99/681467099.db2.gz KQUUQRKETNQLKY-CYBMUJFWSA-N 1 2 363.483 2.242 20 30 FEEDLO CCOC(=O)C1CCN(C(=O)[C@@H](C)[N@@H+](C)Cc2cc(C#N)cs2)CC1 ZINC000933775598 681467101 /nfs/dbraw/zinc/46/71/01/681467101.db2.gz KQUUQRKETNQLKY-CYBMUJFWSA-N 1 2 363.483 2.242 20 30 FEEDLO CC(C)(C#N)CS(=O)(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000777819428 681533921 /nfs/dbraw/zinc/53/39/21/681533921.db2.gz PWYAXALCRQMWEP-UHFFFAOYSA-N 1 2 371.453 2.398 20 30 FEEDLO CC(=NNCCCn1cc[nH+]c1)c1ccc(S(=O)(=O)CC(F)F)cc1 ZINC000848417988 681536997 /nfs/dbraw/zinc/53/69/97/681536997.db2.gz HWELJKIEZXKQRR-UHFFFAOYSA-N 1 2 370.425 2.326 20 30 FEEDLO Brc1cc(C=NNCCCn2cc[nH+]c2)cc2c1OCCO2 ZINC000848418742 681537354 /nfs/dbraw/zinc/53/73/54/681537354.db2.gz SFHAUCHVRRIHEE-UHFFFAOYSA-N 1 2 365.231 2.431 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC2(CC1)C[N@H+](C/C=C\Cl)CCO2 ZINC000949477362 681642996 /nfs/dbraw/zinc/64/29/96/681642996.db2.gz WJZMENNOESCZDH-WGTGFREXSA-N 1 2 354.878 2.023 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC2(CC1)C[N@@H+](C/C=C\Cl)CCO2 ZINC000949477362 681643001 /nfs/dbraw/zinc/64/30/01/681643001.db2.gz WJZMENNOESCZDH-WGTGFREXSA-N 1 2 354.878 2.023 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC2(CC1)C[N@H+](C/C=C/Cl)CCO2 ZINC000949477361 681643255 /nfs/dbraw/zinc/64/32/55/681643255.db2.gz WJZMENNOESCZDH-JLSIVADVSA-N 1 2 354.878 2.023 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC2(CC1)C[N@@H+](C/C=C/Cl)CCO2 ZINC000949477361 681643257 /nfs/dbraw/zinc/64/32/57/681643257.db2.gz WJZMENNOESCZDH-JLSIVADVSA-N 1 2 354.878 2.023 20 30 FEEDLO C=CCS(=O)(=O)CC[NH2+][C@H](C)c1nc(Br)ccc1F ZINC000788740194 682554760 /nfs/dbraw/zinc/55/47/60/682554760.db2.gz QAVWRVXXPXSXLC-SECBINFHSA-N 1 2 351.241 2.235 20 30 FEEDLO COc1cc(C(C)=NNc2[nH+]ccn2C)ccc1S(=O)(=O)C(F)F ZINC000790302300 682666698 /nfs/dbraw/zinc/66/66/98/682666698.db2.gz OVIPYSKQAPEVBD-UHFFFAOYSA-N 1 2 358.370 2.261 20 30 FEEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cn3ccc(-c4nccs4)n3)C2)nc1 ZINC000793607497 682899420 /nfs/dbraw/zinc/89/94/20/682899420.db2.gz QMSPIHCCLJXLSD-CQSZACIVSA-N 1 2 352.423 2.384 20 30 FEEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cn3ccc(-c4nccs4)n3)C2)nc1 ZINC000793607497 682899424 /nfs/dbraw/zinc/89/94/24/682899424.db2.gz QMSPIHCCLJXLSD-CQSZACIVSA-N 1 2 352.423 2.384 20 30 FEEDLO N#Cc1sccc1S(=O)(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccccc1 ZINC000919341727 683268998 /nfs/dbraw/zinc/26/89/98/683268998.db2.gz QBBSRGUWOKNQRX-GJZGRUSLSA-N 1 2 359.476 2.267 20 30 FEEDLO N#Cc1sccc1S(=O)(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccccc1 ZINC000919341727 683269002 /nfs/dbraw/zinc/26/90/02/683269002.db2.gz QBBSRGUWOKNQRX-GJZGRUSLSA-N 1 2 359.476 2.267 20 30 FEEDLO C#CCC[C@H](O)CNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000798444578 683348588 /nfs/dbraw/zinc/34/85/88/683348588.db2.gz UJCTUSNJFKTWLN-RRQGHBQHSA-N 1 2 367.852 2.298 20 30 FEEDLO C#CCC[C@H](O)CNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000798444578 683348590 /nfs/dbraw/zinc/34/85/90/683348590.db2.gz UJCTUSNJFKTWLN-RRQGHBQHSA-N 1 2 367.852 2.298 20 30 FEEDLO C[C@H](c1ccc(Br)cc1)N1CC[NH+](C[C@H](O)CC#N)CC1 ZINC000929717444 683630040 /nfs/dbraw/zinc/63/00/40/683630040.db2.gz GTZWYBVNUGTUIJ-CZUORRHYSA-N 1 2 352.276 2.402 20 30 FEEDLO C=CC[N@@H+](CCCN(C(=O)OC(C)(C)C)C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000929977869 683664095 /nfs/dbraw/zinc/66/40/95/683664095.db2.gz XMDTYNUFGTXCGX-MRXNPFEDSA-N 1 2 372.531 2.451 20 30 FEEDLO C=CC[N@H+](CCCN(C(=O)OC(C)(C)C)C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000929977869 683664099 /nfs/dbraw/zinc/66/40/99/683664099.db2.gz XMDTYNUFGTXCGX-MRXNPFEDSA-N 1 2 372.531 2.451 20 30 FEEDLO N#C[C@@H](NC(=O)/C=C\C[NH+]1CCOCC1)c1ccccc1Br ZINC000865832426 684034744 /nfs/dbraw/zinc/03/47/44/684034744.db2.gz QCHJOEOLWJILRL-OMVNSRBRSA-N 1 2 364.243 2.018 20 30 FEEDLO N#Cc1cc(NC(=O)/C=C/C[NH+]2CCOCC2)ccc1OC(F)(F)F ZINC000868056760 684444812 /nfs/dbraw/zinc/44/48/12/684444812.db2.gz JDKUZNSWSREYOB-OWOJBTEDSA-N 1 2 355.316 2.284 20 30 FEEDLO C=CCSCCNC(=O)NC1CC[NH+](CC(=O)OC(C)(C)C)CC1 ZINC000868194739 684462849 /nfs/dbraw/zinc/46/28/49/684462849.db2.gz XEHFRGAMKIGCAU-UHFFFAOYSA-N 1 2 357.520 2.011 20 30 FEEDLO COc1cccc([C@H]2CN(C(=O)c3ncc(C#N)cc3Cl)CC[NH2+]2)c1 ZINC000870149361 684687922 /nfs/dbraw/zinc/68/79/22/684687922.db2.gz AJJHOIGCNBJXAF-MRXNPFEDSA-N 1 2 356.813 2.402 20 30 FEEDLO Cc1ccnc(CN(CCC#N)CC[NH+]2CCOCC2)c1Br ZINC000876509732 686213521 /nfs/dbraw/zinc/21/35/21/686213521.db2.gz HHARUESVPOLXCF-UHFFFAOYSA-N 1 2 367.291 2.200 20 30 FEEDLO CN(C)c1ccc(C#N)cc1C[N@@H+]1CC[C@](C)(NC(=O)C(F)(F)F)C1 ZINC000877773092 686451767 /nfs/dbraw/zinc/45/17/67/686451767.db2.gz DNVAFNMBWFJDLI-INIZCTEOSA-N 1 2 354.376 2.267 20 30 FEEDLO CN(C)c1ccc(C#N)cc1C[N@H+]1CC[C@](C)(NC(=O)C(F)(F)F)C1 ZINC000877773092 686451773 /nfs/dbraw/zinc/45/17/73/686451773.db2.gz DNVAFNMBWFJDLI-INIZCTEOSA-N 1 2 354.376 2.267 20 30 FEEDLO C#CCNC(=O)C1CC[NH+]([C@@H](C)C(=O)Nc2c(C)cccc2Cl)CC1 ZINC000878018473 686502483 /nfs/dbraw/zinc/50/24/83/686502483.db2.gz KEKATFULHFZBCS-AWEZNQCLSA-N 1 2 361.873 2.437 20 30 FEEDLO C[C@@H]1C[N@@H+](C[C@H](O)c2cccc(Br)c2)C[C@H](C)N1CC#N ZINC000878774894 686656170 /nfs/dbraw/zinc/65/61/70/686656170.db2.gz CQPSIWRDGWWBQM-ZENOOKHLSA-N 1 2 352.276 2.401 20 30 FEEDLO C[C@@H]1C[N@H+](C[C@H](O)c2cccc(Br)c2)C[C@H](C)N1CC#N ZINC000878774894 686656173 /nfs/dbraw/zinc/65/61/73/686656173.db2.gz CQPSIWRDGWWBQM-ZENOOKHLSA-N 1 2 352.276 2.401 20 30 FEEDLO CO[C@]1(C(F)(F)F)CC[N@@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000880304219 687029903 /nfs/dbraw/zinc/02/99/03/687029903.db2.gz MEKZMPWIAHBXJK-GOEBONIOSA-N 1 2 353.344 2.317 20 30 FEEDLO CO[C@]1(C(F)(F)F)CC[N@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000880304219 687029906 /nfs/dbraw/zinc/02/99/06/687029906.db2.gz MEKZMPWIAHBXJK-GOEBONIOSA-N 1 2 353.344 2.317 20 30 FEEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Nc1cc(C#N)c(F)cc1F ZINC000880712720 687077388 /nfs/dbraw/zinc/07/73/88/687077388.db2.gz WJGYRFIMDUDRLE-DGCLKSJQSA-N 1 2 350.369 2.163 20 30 FEEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Nc1cc(C#N)c(F)cc1F ZINC000880712719 687077560 /nfs/dbraw/zinc/07/75/60/687077560.db2.gz WJGYRFIMDUDRLE-AAEUAGOBSA-N 1 2 350.369 2.163 20 30 FEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000884092095 687787436 /nfs/dbraw/zinc/78/74/36/687787436.db2.gz SATSLIXUHNQAAX-RISCZKNCSA-N 1 2 358.360 2.199 20 30 FEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@@H]1Cc1ccccc1Cl ZINC000884102319 687789838 /nfs/dbraw/zinc/78/98/38/687789838.db2.gz YFSPRUSVBBACIR-ZBFHGGJFSA-N 1 2 350.846 2.320 20 30 FEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000884333155 687850607 /nfs/dbraw/zinc/85/06/07/687850607.db2.gz FURIJVVUFALIER-RISCZKNCSA-N 1 2 358.360 2.372 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)nc1 ZINC000886618962 688284096 /nfs/dbraw/zinc/28/40/96/688284096.db2.gz PJIWACTXPCNEBA-ZFWWWQNUSA-N 1 2 373.400 2.391 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)nc1 ZINC000886618962 688284099 /nfs/dbraw/zinc/28/40/99/688284099.db2.gz PJIWACTXPCNEBA-ZFWWWQNUSA-N 1 2 373.400 2.391 20 30 FEEDLO CSc1ccc(CNC(=O)NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)cc1C#N ZINC000890447664 688921479 /nfs/dbraw/zinc/92/14/79/688921479.db2.gz KCGXSKMEABEZPY-UONOGXRCSA-N 1 2 362.499 2.189 20 30 FEEDLO CSc1ccc(CNC(=O)NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)cc1C#N ZINC000890447664 688921480 /nfs/dbraw/zinc/92/14/80/688921480.db2.gz KCGXSKMEABEZPY-UONOGXRCSA-N 1 2 362.499 2.189 20 30 FEEDLO CSc1ccc(CNC(=O)NC(C)(C)C[NH+]2CCOCC2)cc1C#N ZINC000890447839 688921770 /nfs/dbraw/zinc/92/17/70/688921770.db2.gz MKUUYOFSRKJJIX-UHFFFAOYSA-N 1 2 362.499 2.190 20 30 FEEDLO C#CCOc1ccc(Br)cc1C[NH2+]Cc1cn(C)nc1OC ZINC000898027872 690117236 /nfs/dbraw/zinc/11/72/36/690117236.db2.gz BTXUGCDTBQTXQC-UHFFFAOYSA-N 1 2 364.243 2.493 20 30 FEEDLO N#Cc1ccc(Cl)nc1C(F)(F)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001165039776 721910969 /nfs/dbraw/zinc/91/09/69/721910969.db2.gz UGMPOKLMIHUNQJ-CYBMUJFWSA-N 1 2 356.804 2.453 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(CC(=O)N3CCc4ccccc43)CC2)cc1 ZINC000023257713 539710763 /nfs/dbraw/zinc/71/07/63/539710763.db2.gz HNHLBTXNJQGDAW-UHFFFAOYSA-N 1 2 360.461 2.265 20 30 FEEDLO COC(=O)C1CC[NH+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000025558189 539762933 /nfs/dbraw/zinc/76/29/33/539762933.db2.gz XPSIJHUXLSVXGY-NSHDSACASA-N 1 2 361.467 2.320 20 30 FEEDLO N#Cc1ccnc(N2CC[NH+](Cc3cc(F)cc4c3OCOC4)CC2)c1 ZINC000026918499 539797220 /nfs/dbraw/zinc/79/72/20/539797220.db2.gz IKDOGDWRHPPJFM-UHFFFAOYSA-N 1 2 354.385 2.281 20 30 FEEDLO N#Cc1ccc(NC(=O)CN2CC[NH+](Cc3ccccn3)CC2)cc1Cl ZINC000027378414 539806345 /nfs/dbraw/zinc/80/63/45/539806345.db2.gz KOWVSSGSYGCGDW-UHFFFAOYSA-N 1 2 369.856 2.363 20 30 FEEDLO COc1ccc(F)cc1C[NH+]1CCN(c2nnc(C)c(C)c2C#N)CC1 ZINC000029380082 539852320 /nfs/dbraw/zinc/85/23/20/539852320.db2.gz ZYOXJNSFHGCWDN-UHFFFAOYSA-N 1 2 355.417 2.435 20 30 FEEDLO C[C@@H](NC(=O)NCc1ccc[nH+]c1N1CCOCC1)c1ccc(C#N)cc1 ZINC000031121997 539898429 /nfs/dbraw/zinc/89/84/29/539898429.db2.gz WOIWOSQRRGEENU-OAHLLOKOSA-N 1 2 365.437 2.350 20 30 FEEDLO C[C@@H](C#N)Sc1nnc(-c2ccc(F)cc2)n1CC[NH+]1CCOCC1 ZINC000038335212 539998166 /nfs/dbraw/zinc/99/81/66/539998166.db2.gz QTBXAEYNPMCDBW-ZDUSSCGKSA-N 1 2 361.446 2.421 20 30 FEEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+](C)CC(=O)NC(C)(C)C ZINC000042506382 540064926 /nfs/dbraw/zinc/06/49/26/540064926.db2.gz AGFNJKOVRCACQI-OAHLLOKOSA-N 1 2 374.485 2.177 20 30 FEEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)CC(=O)NC(C)(C)C ZINC000042506382 540064928 /nfs/dbraw/zinc/06/49/28/540064928.db2.gz AGFNJKOVRCACQI-OAHLLOKOSA-N 1 2 374.485 2.177 20 30 FEEDLO COc1ccc([C@@H](CNc2nnc(C)c(C)c2C#N)[NH+]2CCOCC2)cc1 ZINC000044711542 540137526 /nfs/dbraw/zinc/13/75/26/540137526.db2.gz CGVMBGRYIKKYOY-LJQANCHMSA-N 1 2 367.453 2.459 20 30 FEEDLO C=CCCCN(C)C(=O)C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000550417041 674094138 /nfs/dbraw/zinc/09/41/38/674094138.db2.gz WWDAHSZHEABXLY-INIZCTEOSA-N 1 2 351.878 2.484 20 30 FEEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CCCN(c2ccccc2C#N)CC1 ZINC000047028059 540285603 /nfs/dbraw/zinc/28/56/03/540285603.db2.gz AUTQEXSVNFJGIQ-INIZCTEOSA-N 1 2 352.442 2.065 20 30 FEEDLO CN(C(=O)C[NH+]1CCN(c2cccc(F)c2C#N)CC1)c1ccccc1 ZINC000048054611 540342366 /nfs/dbraw/zinc/34/23/66/540342366.db2.gz RHSKQOQNJIEVRQ-UHFFFAOYSA-N 1 2 352.413 2.482 20 30 FEEDLO Cn1c2nnc(C[N@H+](C)Cc3cccc(C#N)c3)n2c2ccsc2c1=O ZINC000052580242 540474787 /nfs/dbraw/zinc/47/47/87/540474787.db2.gz BECIHVDVOBFCLY-UHFFFAOYSA-N 1 2 364.434 2.146 20 30 FEEDLO Cn1c2nnc(C[N@@H+](C)Cc3cccc(C#N)c3)n2c2ccsc2c1=O ZINC000052580242 540474790 /nfs/dbraw/zinc/47/47/90/540474790.db2.gz BECIHVDVOBFCLY-UHFFFAOYSA-N 1 2 364.434 2.146 20 30 FEEDLO CN(C(=O)C[N@@H+]1CCCN(c2ccc(C#N)cc2)CC1)c1nccs1 ZINC000052800924 540490203 /nfs/dbraw/zinc/49/02/03/540490203.db2.gz OPDZWVLRAAITBK-UHFFFAOYSA-N 1 2 355.467 2.190 20 30 FEEDLO CN(C(=O)C[N@H+]1CCCN(c2ccc(C#N)cc2)CC1)c1nccs1 ZINC000052800924 540490204 /nfs/dbraw/zinc/49/02/04/540490204.db2.gz OPDZWVLRAAITBK-UHFFFAOYSA-N 1 2 355.467 2.190 20 30 FEEDLO CC(=O)Nc1cccc2c1CC[N@H+](CC(=O)NC1(C#N)CCCCC1)C2 ZINC000054389980 540587838 /nfs/dbraw/zinc/58/78/38/540587838.db2.gz HIWXUEOWUHPHOP-UHFFFAOYSA-N 1 2 354.454 2.346 20 30 FEEDLO CC(=O)Nc1cccc2c1CC[N@@H+](CC(=O)NC1(C#N)CCCCC1)C2 ZINC000054389980 540587842 /nfs/dbraw/zinc/58/78/42/540587842.db2.gz HIWXUEOWUHPHOP-UHFFFAOYSA-N 1 2 354.454 2.346 20 30 FEEDLO N#Cc1cccnc1N1CCC[N@@H+](CC(=O)NCC2CCCCC2)CC1 ZINC000066437820 541318573 /nfs/dbraw/zinc/31/85/73/541318573.db2.gz DQIQLUVQDRJCEM-UHFFFAOYSA-N 1 2 355.486 2.162 20 30 FEEDLO N#Cc1cccnc1N1CCC[N@H+](CC(=O)NCC2CCCCC2)CC1 ZINC000066437820 541318575 /nfs/dbraw/zinc/31/85/75/541318575.db2.gz DQIQLUVQDRJCEM-UHFFFAOYSA-N 1 2 355.486 2.162 20 30 FEEDLO COc1ccccc1/C(C)=C/C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000066644412 541354238 /nfs/dbraw/zinc/35/42/38/541354238.db2.gz OMMWFBJOLNEVTP-WUKNDPDISA-N 1 2 357.454 2.173 20 30 FEEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+](C)CC(=O)Nc1cc(F)cc(F)c1 ZINC000066836574 541378405 /nfs/dbraw/zinc/37/84/05/541378405.db2.gz UYXNOMLWXUMWOE-ZDUSSCGKSA-N 1 2 351.397 2.424 20 30 FEEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+](C)CC(=O)Nc1cc(F)cc(F)c1 ZINC000066836574 541378406 /nfs/dbraw/zinc/37/84/06/541378406.db2.gz UYXNOMLWXUMWOE-ZDUSSCGKSA-N 1 2 351.397 2.424 20 30 FEEDLO COc1cccc([C@@H](C)[NH+]2CCN(S(=O)(=O)CCCCC#N)CC2)c1 ZINC000068915050 541640804 /nfs/dbraw/zinc/64/08/04/541640804.db2.gz DEMUASUVOMPXPB-MRXNPFEDSA-N 1 2 365.499 2.397 20 30 FEEDLO Cc1cc(N2CCN(c3ncc([N+](=O)[O-])cc3C#N)CC2)nc(C(C)C)[nH+]1 ZINC000070792232 541744132 /nfs/dbraw/zinc/74/41/32/541744132.db2.gz QGYAONAAZABMMI-UHFFFAOYSA-N 1 2 367.413 2.410 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1ccc(-n2cccc2)cc1 ZINC000070920468 541752058 /nfs/dbraw/zinc/75/20/58/541752058.db2.gz FQHBBBSKGHBZGJ-UHFFFAOYSA-N 1 2 352.438 2.165 20 30 FEEDLO CCN(CC)C(=O)C[N@H+](C)[C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000072557763 541831668 /nfs/dbraw/zinc/83/16/68/541831668.db2.gz HGTPJDMZLOJDHI-KOHRHEQBSA-N 1 2 350.507 2.106 20 30 FEEDLO CCN(CC)C(=O)C[N@@H+](C)[C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000072557763 541831673 /nfs/dbraw/zinc/83/16/73/541831673.db2.gz HGTPJDMZLOJDHI-KOHRHEQBSA-N 1 2 350.507 2.106 20 30 FEEDLO Cc1nc(CC(N)=[NH+]O[C@@H](C)C(=O)NCCc2ccccc2C)cs1 ZINC000072920140 541893769 /nfs/dbraw/zinc/89/37/69/541893769.db2.gz HMSJHHKCZNRAIF-ZDUSSCGKSA-N 1 2 360.483 2.339 20 30 FEEDLO Cc1nc(CN2CC[NH+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC2)cs1 ZINC000073368578 541948365 /nfs/dbraw/zinc/94/83/65/541948365.db2.gz DNVYFZKFAGEZQU-KBXCAEBGSA-N 1 2 363.531 2.012 20 30 FEEDLO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@@H+]2CC[C@@H](O)C2)c1C#N ZINC000074325130 542069956 /nfs/dbraw/zinc/06/99/56/542069956.db2.gz NWEOYQQUOPCVOB-MRXNPFEDSA-N 1 2 356.401 2.110 20 30 FEEDLO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@H+]2CC[C@@H](O)C2)c1C#N ZINC000074325130 542069961 /nfs/dbraw/zinc/06/99/61/542069961.db2.gz NWEOYQQUOPCVOB-MRXNPFEDSA-N 1 2 356.401 2.110 20 30 FEEDLO COCCN(Cc1ccc(C#N)cc1)C(=O)C1([NH+]2CCOCC2)CCCC1 ZINC000074437267 542083652 /nfs/dbraw/zinc/08/36/52/542083652.db2.gz CPQQCULBTXPVLD-UHFFFAOYSA-N 1 2 371.481 2.178 20 30 FEEDLO CSc1[nH]c(=O)c(C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)cc1C#N ZINC000075200458 542159633 /nfs/dbraw/zinc/15/96/33/542159633.db2.gz GPSLKMOEUWDZHW-AWEZNQCLSA-N 1 2 360.483 2.375 20 30 FEEDLO CSc1[nH]c(=O)c(C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)cc1C#N ZINC000075200458 542159637 /nfs/dbraw/zinc/15/96/37/542159637.db2.gz GPSLKMOEUWDZHW-AWEZNQCLSA-N 1 2 360.483 2.375 20 30 FEEDLO N#Cc1cccc(-c2nnc(CN3CCCC[C@H]3C[NH+]3CCOCC3)o2)c1 ZINC000075968868 542220333 /nfs/dbraw/zinc/22/03/33/542220333.db2.gz OJQXXEDSFKJJDT-SFHVURJKSA-N 1 2 367.453 2.295 20 30 FEEDLO C[C@@H](C#N)OCC[NH+]1CCC(O)(c2scnc2Br)CC1 ZINC000801952572 674156842 /nfs/dbraw/zinc/15/68/42/674156842.db2.gz ATEZZBJASLBCBT-JTQLQIEISA-N 1 2 360.277 2.118 20 30 FEEDLO C[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)[C@H](CCO)c1ccccc1 ZINC000081515576 542662554 /nfs/dbraw/zinc/66/25/54/542662554.db2.gz HAZKJUNXVJXPIF-LJQANCHMSA-N 1 2 358.463 2.387 20 30 FEEDLO C[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)[C@H](CCO)c1ccccc1 ZINC000081515576 542662556 /nfs/dbraw/zinc/66/25/56/542662556.db2.gz HAZKJUNXVJXPIF-LJQANCHMSA-N 1 2 358.463 2.387 20 30 FEEDLO COc1cc(OC)cc(-n2nnnc2C[N@H+](C)CCCC(C)(C)C#N)c1 ZINC000083248875 542696643 /nfs/dbraw/zinc/69/66/43/542696643.db2.gz QVQPQHNVWPISOR-UHFFFAOYSA-N 1 2 358.446 2.441 20 30 FEEDLO COc1cc(OC)cc(-n2nnnc2C[N@@H+](C)CCCC(C)(C)C#N)c1 ZINC000083248875 542696644 /nfs/dbraw/zinc/69/66/44/542696644.db2.gz QVQPQHNVWPISOR-UHFFFAOYSA-N 1 2 358.446 2.441 20 30 FEEDLO N#CCCN(C(=O)C[NH+]1CCC(O)(C(F)(F)F)CC1)c1ccccc1 ZINC000089970573 542780124 /nfs/dbraw/zinc/78/01/24/542780124.db2.gz JAHLVATXLAMQED-UHFFFAOYSA-N 1 2 355.360 2.322 20 30 FEEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+](C)Cc2ccccc2Cl)CC1 ZINC000092616786 542875310 /nfs/dbraw/zinc/87/53/10/542875310.db2.gz LFADUJORRJIZMA-GOSISDBHSA-N 1 2 362.905 2.464 20 30 FEEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+](C)Cc2ccccc2Cl)CC1 ZINC000092616786 542875312 /nfs/dbraw/zinc/87/53/12/542875312.db2.gz LFADUJORRJIZMA-GOSISDBHSA-N 1 2 362.905 2.464 20 30 FEEDLO CCN(CC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1)C[C@H](C)C#N ZINC000098134438 543022955 /nfs/dbraw/zinc/02/29/55/543022955.db2.gz UMYMAUOXRFOTOH-MRXNPFEDSA-N 1 2 372.517 2.039 20 30 FEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](CC(=O)Nc1ccc(F)cc1)C(C)C ZINC000103491359 543111596 /nfs/dbraw/zinc/11/15/96/543111596.db2.gz QKTQASDLVHKWGF-OAHLLOKOSA-N 1 2 362.449 2.483 20 30 FEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](CC(=O)Nc1ccc(F)cc1)C(C)C ZINC000103491359 543111600 /nfs/dbraw/zinc/11/16/00/543111600.db2.gz QKTQASDLVHKWGF-OAHLLOKOSA-N 1 2 362.449 2.483 20 30 FEEDLO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(C#N)c(Cl)c1)c1ccco1 ZINC000107537790 543272477 /nfs/dbraw/zinc/27/24/77/543272477.db2.gz OMRRNIBXFNTTQM-CQSZACIVSA-N 1 2 353.831 2.386 20 30 FEEDLO C=CC1CC[NH+](Cc2nc3c(c(=O)[nH]c(=O)n3CCCC)n2CC)CC1 ZINC000111257104 543389706 /nfs/dbraw/zinc/38/97/06/543389706.db2.gz BHCHVSOPVOECAA-UHFFFAOYSA-N 1 2 359.474 2.104 20 30 FEEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](N2CCCC2=O)C1 ZINC000111292613 543393717 /nfs/dbraw/zinc/39/37/17/543393717.db2.gz LRPYWVDCWOQRQF-OAHLLOKOSA-N 1 2 372.494 2.328 20 30 FEEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](N2CCCC2=O)C1 ZINC000111292613 543393719 /nfs/dbraw/zinc/39/37/19/543393719.db2.gz LRPYWVDCWOQRQF-OAHLLOKOSA-N 1 2 372.494 2.328 20 30 FEEDLO N#Cc1ccc([C@H]([NH2+]Cc2ccc(OCC(F)(F)F)nc2)C(N)=O)cc1 ZINC000115596969 543576698 /nfs/dbraw/zinc/57/66/98/543576698.db2.gz RSEPRFJPUVYZTM-HNNXBMFYSA-N 1 2 364.327 2.211 20 30 FEEDLO Cc1ccc(NC(=O)C[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)c(Cl)c1 ZINC000115598631 543577791 /nfs/dbraw/zinc/57/77/91/543577791.db2.gz NUDHOPFDECTTSM-QGZVFWFLSA-N 1 2 356.813 2.275 20 30 FEEDLO C=CCCC[NH+]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000117870646 543641090 /nfs/dbraw/zinc/64/10/90/543641090.db2.gz BWURBXUEECOKRB-UHFFFAOYSA-N 1 2 353.444 2.176 20 30 FEEDLO COCCC[N@H+](CC#Cc1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000121079826 543688508 /nfs/dbraw/zinc/68/85/08/543688508.db2.gz YIAUSEDHHKLHCA-KRWDZBQOSA-N 1 2 355.887 2.217 20 30 FEEDLO COCCC[N@@H+](CC#Cc1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000121079826 543688511 /nfs/dbraw/zinc/68/85/11/543688511.db2.gz YIAUSEDHHKLHCA-KRWDZBQOSA-N 1 2 355.887 2.217 20 30 FEEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](CC(=O)N2CCc3ccccc3C2)CC1 ZINC000121536281 543696315 /nfs/dbraw/zinc/69/63/15/543696315.db2.gz PEICNCJKKSRXIJ-QFIPXVFZSA-N 1 2 374.488 2.454 20 30 FEEDLO C=CCNC(=O)CN1CC[NH+](Cc2cnc(-c3cccs3)s2)CC1 ZINC000122238958 543705009 /nfs/dbraw/zinc/70/50/09/543705009.db2.gz GBXVKOPOXPADBP-UHFFFAOYSA-N 1 2 362.524 2.291 20 30 FEEDLO C[C@H](C[S@@](C)=O)[N@H+](C)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000126120022 543918908 /nfs/dbraw/zinc/91/89/08/543918908.db2.gz DLUICAVAWPKGIG-ZLOXQWCVSA-N 1 2 355.891 2.285 20 30 FEEDLO C[C@H](C[S@@](C)=O)[N@@H+](C)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000126120022 543918911 /nfs/dbraw/zinc/91/89/11/543918911.db2.gz DLUICAVAWPKGIG-ZLOXQWCVSA-N 1 2 355.891 2.285 20 30 FEEDLO C[N@@H+]1CCO[C@@H]([C@H](NC(=O)CSCC#N)c2ccc(Cl)cc2)C1 ZINC000126701884 543951799 /nfs/dbraw/zinc/95/17/99/543951799.db2.gz XRICCCCEOKQTMV-GDBMZVCRSA-N 1 2 353.875 2.085 20 30 FEEDLO C[N@H+]1CCO[C@@H]([C@H](NC(=O)CSCC#N)c2ccc(Cl)cc2)C1 ZINC000126701884 543951803 /nfs/dbraw/zinc/95/18/03/543951803.db2.gz XRICCCCEOKQTMV-GDBMZVCRSA-N 1 2 353.875 2.085 20 30 FEEDLO N#Cc1ccc([C@H](O)C[NH+]2CCN(C(=O)c3c(F)cccc3F)CC2)cc1 ZINC000127397467 543990426 /nfs/dbraw/zinc/99/04/26/543990426.db2.gz ZBAZORCPVHHLOZ-GOSISDBHSA-N 1 2 371.387 2.328 20 30 FEEDLO N#Cc1ccc(OCCNC(=O)N[C@@H]2CCCN(c3cccc[nH+]3)C2)cc1 ZINC000128621967 544063230 /nfs/dbraw/zinc/06/32/30/544063230.db2.gz APWSBFPMBSDSCS-QGZVFWFLSA-N 1 2 365.437 2.300 20 30 FEEDLO N#Cc1cnc2ccccc2c1N1CC[NH+](CC(=O)NC2CCCC2)CC1 ZINC000130860338 544168350 /nfs/dbraw/zinc/16/83/50/544168350.db2.gz PMGGNUKZNAWYHB-UHFFFAOYSA-N 1 2 363.465 2.287 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Nc1ccc(C(F)(F)F)nc1 ZINC000131797613 544207491 /nfs/dbraw/zinc/20/74/91/544207491.db2.gz GNGCOJPAAIEDJJ-UHFFFAOYSA-N 1 2 371.363 2.180 20 30 FEEDLO CC[N@@H+](CC(=O)NCc1ccc(C(=O)N2CCCC2)cc1)C[C@@H](C)C#N ZINC000140401910 544408585 /nfs/dbraw/zinc/40/85/85/544408585.db2.gz BENSPBJSZITJBD-INIZCTEOSA-N 1 2 356.470 2.020 20 30 FEEDLO CC[N@H+](CC(=O)NCc1ccc(C(=O)N2CCCC2)cc1)C[C@@H](C)C#N ZINC000140401910 544408588 /nfs/dbraw/zinc/40/85/88/544408588.db2.gz BENSPBJSZITJBD-INIZCTEOSA-N 1 2 356.470 2.020 20 30 FEEDLO COC(=O)c1cc(C[NH+]2CCN(c3oc(C4CC4)nc3C#N)CC2)c(C)o1 ZINC000143318267 544421187 /nfs/dbraw/zinc/42/11/87/544421187.db2.gz HIUUEAANPFZRQO-UHFFFAOYSA-N 1 2 370.409 2.434 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)NCC[N@@H+]2CCc3sccc3C2)c(F)c1 ZINC000151096816 544504740 /nfs/dbraw/zinc/50/47/40/544504740.db2.gz QJQSOQIHCFIOHU-UHFFFAOYSA-N 1 2 365.455 2.095 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)NCC[N@H+]2CCc3sccc3C2)c(F)c1 ZINC000151096816 544504745 /nfs/dbraw/zinc/50/47/45/544504745.db2.gz QJQSOQIHCFIOHU-UHFFFAOYSA-N 1 2 365.455 2.095 20 30 FEEDLO C[C@H](OC1CCCCCC1)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000151630549 544564481 /nfs/dbraw/zinc/56/44/81/544564481.db2.gz OLHVHVYYHPDRJM-KRWDZBQOSA-N 1 2 351.491 2.189 20 30 FEEDLO C#CCNC(=O)c1ccc(N2CC[NH+](Cc3ccccc3Cl)CC2)nc1 ZINC000152983740 544719582 /nfs/dbraw/zinc/71/95/82/544719582.db2.gz BYEQDHUVIRVWJX-UHFFFAOYSA-N 1 2 368.868 2.420 20 30 FEEDLO C=C(C)CNC(=O)CS(=O)(=O)Nc1ccc([NH+]2CCCCC2)cc1 ZINC000154398093 544900675 /nfs/dbraw/zinc/90/06/75/544900675.db2.gz JQIDMZMNXOZOOO-UHFFFAOYSA-N 1 2 351.472 2.111 20 30 FEEDLO C=C(C)CN(CC)C(=O)C(=O)Nc1ccc(C[NH+]2CCN(CC)CC2)cc1 ZINC000154670142 544935222 /nfs/dbraw/zinc/93/52/22/544935222.db2.gz QQQKGDKFGCVUDU-UHFFFAOYSA-N 1 2 372.513 2.187 20 30 FEEDLO COc1ccc(CN(CCC#N)CC[NH+]2CCOCC2)c(OC(F)F)c1 ZINC000154749634 544944696 /nfs/dbraw/zinc/94/46/96/544944696.db2.gz OMWAKJLARRGYPS-UHFFFAOYSA-N 1 2 369.412 2.344 20 30 FEEDLO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N(C)CCCn3cc[nH+]c3)C2)n1 ZINC000154896186 544963472 /nfs/dbraw/zinc/96/34/72/544963472.db2.gz ITUOWFWKGHKBRY-SFHVURJKSA-N 1 2 366.469 2.223 20 30 FEEDLO COC(=O)[C@H]1C[C@H](O)C[N@@H+]1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000188616219 328099039 /nfs/dbraw/zinc/09/90/39/328099039.db2.gz CPTMQOKPVVRCFE-AZUAARDMSA-N 1 2 366.417 2.245 20 30 FEEDLO COC(=O)[C@H]1C[C@H](O)C[N@H+]1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000188616219 328099040 /nfs/dbraw/zinc/09/90/40/328099040.db2.gz CPTMQOKPVVRCFE-AZUAARDMSA-N 1 2 366.417 2.245 20 30 FEEDLO CCc1nnc(C2CC[NH+]([C@@H](C)C(=O)Nc3cccc(C#N)c3)CC2)[nH]1 ZINC000190677319 328224224 /nfs/dbraw/zinc/22/42/24/328224224.db2.gz XCOGGGBLEVUIST-ZDUSSCGKSA-N 1 2 352.442 2.445 20 30 FEEDLO CCc1n[nH]c(C2CC[NH+]([C@@H](C)C(=O)Nc3cccc(C#N)c3)CC2)n1 ZINC000190677319 328224225 /nfs/dbraw/zinc/22/42/25/328224225.db2.gz XCOGGGBLEVUIST-ZDUSSCGKSA-N 1 2 352.442 2.445 20 30 FEEDLO CC(C)N(C)c1ccc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)cn1 ZINC000191441695 328265830 /nfs/dbraw/zinc/26/58/30/328265830.db2.gz WNMSNTABGRRGQV-INIZCTEOSA-N 1 2 365.485 2.299 20 30 FEEDLO CC(C)N(C)c1ccc(C[N@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)cn1 ZINC000191441695 328265832 /nfs/dbraw/zinc/26/58/32/328265832.db2.gz WNMSNTABGRRGQV-INIZCTEOSA-N 1 2 365.485 2.299 20 30 FEEDLO Cc1oc(NC(=O)C[NH+]2CCC(C(=O)N3CCCCC3)CC2)c(C#N)c1C ZINC000192774319 328338962 /nfs/dbraw/zinc/33/89/62/328338962.db2.gz LZZUDZVVAYTSIN-UHFFFAOYSA-N 1 2 372.469 2.431 20 30 FEEDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)c3ccnc(C#N)c3)CC2)c1 ZINC000193159143 328360334 /nfs/dbraw/zinc/36/03/34/328360334.db2.gz HOIHHUCSDKKBQF-HNNXBMFYSA-N 1 2 350.422 2.481 20 30 FEEDLO N#Cc1ccc(CNC(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000048215462 324657917 /nfs/dbraw/zinc/65/79/17/324657917.db2.gz RQELYQDIRLOLGO-FQEVSTJZSA-N 1 2 364.449 2.431 20 30 FEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+](C)C[C@H](O)COCc1ccccc1 ZINC000083171998 325215324 /nfs/dbraw/zinc/21/53/24/325215324.db2.gz QVHITMTULJVLNH-PMACEKPBSA-N 1 2 368.433 2.282 20 30 FEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@H](O)COCc1ccccc1 ZINC000083171998 325215325 /nfs/dbraw/zinc/21/53/25/325215325.db2.gz QVHITMTULJVLNH-PMACEKPBSA-N 1 2 368.433 2.282 20 30 FEEDLO N#Cc1ccc2[nH+]cc(CN3CCN(C(=O)C4CCCCC4)CC3)n2c1 ZINC000092539536 325418970 /nfs/dbraw/zinc/41/89/70/325418970.db2.gz VJTWTUDPAVIYFJ-UHFFFAOYSA-N 1 2 351.454 2.430 20 30 FEEDLO C[C@H]1CCCC[C@H]1N(C)C(=O)C[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000101543829 325470664 /nfs/dbraw/zinc/47/06/64/325470664.db2.gz WQYOQZKSIKQQDD-FUHWJXTLSA-N 1 2 355.486 2.112 20 30 FEEDLO N#Cc1cccnc1N1CC[NH+]([C@@H]2CCCN(c3ccccc3)C2=O)CC1 ZINC000115533365 325963494 /nfs/dbraw/zinc/96/34/94/325963494.db2.gz LYCFTFVBPLIJLM-LJQANCHMSA-N 1 2 361.449 2.271 20 30 FEEDLO C[C@H]1C[C@H](C)CN(C(=O)CN2CC[NH+](Cc3ccc(C#N)s3)CC2)C1 ZINC000121406649 326336484 /nfs/dbraw/zinc/33/64/84/326336484.db2.gz DRYITSXSSAEHNC-HOTGVXAUSA-N 1 2 360.527 2.242 20 30 FEEDLO Cc1ccc(C#N)cc1S(=O)(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000122060073 326382199 /nfs/dbraw/zinc/38/21/99/326382199.db2.gz HAPNQHUQYRYGHQ-INIZCTEOSA-N 1 2 358.467 2.244 20 30 FEEDLO COCCOc1cc(C)ccc1C[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000125291966 326468924 /nfs/dbraw/zinc/46/89/24/326468924.db2.gz GLPDGMQWQBRADB-IBGZPJMESA-N 1 2 353.422 2.208 20 30 FEEDLO CN(C)c1[nH+]cccc1CNS(=O)(=O)c1cccc(Cl)c1C#N ZINC000156480229 326832664 /nfs/dbraw/zinc/83/26/64/326832664.db2.gz NEEBWMZJSGAOQK-UHFFFAOYSA-N 1 2 350.831 2.151 20 30 FEEDLO N#Cc1ccccc1N1CC[NH+]([C@@H]2CC(=O)N(Cc3ccccc3)C2=O)CC1 ZINC000171118841 327119425 /nfs/dbraw/zinc/11/94/25/327119425.db2.gz LNYZEGXXFPBLQE-HXUWFJFHSA-N 1 2 374.444 2.008 20 30 FEEDLO N#Cc1ccc(CC(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)cc1 ZINC000171886420 327167588 /nfs/dbraw/zinc/16/75/88/327167588.db2.gz DDCPBWBPYWOUSO-OAQYLSRUSA-N 1 2 363.461 2.160 20 30 FEEDLO C[C@@H]([NH2+]Cc1nnc2n1CCCC2)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000173638311 327272753 /nfs/dbraw/zinc/27/27/53/327272753.db2.gz FQPJBUBTUOUTHR-LLVKDONJSA-N 1 2 358.833 2.256 20 30 FEEDLO Cc1c(C#N)cccc1NC(=O)C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000178528105 327590772 /nfs/dbraw/zinc/59/07/72/327590772.db2.gz AWKXYKJNXAHLSN-OAHLLOKOSA-N 1 2 365.437 2.020 20 30 FEEDLO COc1ccccc1C[NH+]1CCN(c2ncc([N+](=O)[O-])cc2C#N)CC1 ZINC000263955064 328978293 /nfs/dbraw/zinc/97/82/93/328978293.db2.gz LGJAHNVTSIGLLQ-UHFFFAOYSA-N 1 2 353.382 2.192 20 30 FEEDLO N#Cc1ccc(-c2nnc(C[NH+]3CCN(c4cc(C#N)ccn4)CC3)o2)cc1 ZINC000266549388 329235169 /nfs/dbraw/zinc/23/51/69/329235169.db2.gz TXMPHYLEUYSQFN-UHFFFAOYSA-N 1 2 371.404 2.197 20 30 FEEDLO Cc1cc(C)c2ncc(C#N)c(N3CC[NH+](C(C)(C)C(N)=O)CC3)c2c1 ZINC000267509820 329334306 /nfs/dbraw/zinc/33/43/06/329334306.db2.gz LNECVYKVNMASTD-UHFFFAOYSA-N 1 2 351.454 2.109 20 30 FEEDLO C[C@H](Cn1cc[nH+]c1)NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000267576660 329339834 /nfs/dbraw/zinc/33/98/34/329339834.db2.gz JUXSUNXYKSCRBW-SNVBAGLBSA-N 1 2 358.345 2.141 20 30 FEEDLO CC(C)[C@H]([NH2+]CC(=O)NCc1ccc(C#N)cc1)c1nc(C2CC2)no1 ZINC000272004328 329744025 /nfs/dbraw/zinc/74/40/25/329744025.db2.gz IVFIWGXJXCPOJF-KRWDZBQOSA-N 1 2 353.426 2.422 20 30 FEEDLO COc1ccc(C#N)cc1NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000275579169 330065821 /nfs/dbraw/zinc/06/58/21/330065821.db2.gz FKKDTGJZQWPKHN-UHFFFAOYSA-N 1 2 371.485 2.247 20 30 FEEDLO N#CCC[C@@H](C#N)C[NH2+]Cc1ccccc1S(=O)(=O)N1CCCCC1 ZINC000554452517 674317838 /nfs/dbraw/zinc/31/78/38/674317838.db2.gz HNKIKDWDPBFJIH-INIZCTEOSA-N 1 2 360.483 2.394 20 30 FEEDLO C=CCSc1ccccc1NC(=O)COC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC000805477408 674339374 /nfs/dbraw/zinc/33/93/74/674339374.db2.gz JRFKAWPPXHPYPM-OAHLLOKOSA-N 1 2 364.467 2.167 20 30 FEEDLO C=CCSc1ccccc1NC(=O)COC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC000805477408 674339375 /nfs/dbraw/zinc/33/93/75/674339375.db2.gz JRFKAWPPXHPYPM-OAHLLOKOSA-N 1 2 364.467 2.167 20 30 FEEDLO C[N@H+](Cc1nccs1)[C@@H]1CC12CCN(C(=O)c1c[nH]c(C#N)c1)CC2 ZINC000275518869 523605728 /nfs/dbraw/zinc/60/57/28/523605728.db2.gz CDFXIOMTIBWPTN-OAHLLOKOSA-N 1 2 355.467 2.470 20 30 FEEDLO C[N@@H+](Cc1nccs1)[C@@H]1CC12CCN(C(=O)c1c[nH]c(C#N)c1)CC2 ZINC000275518869 523605736 /nfs/dbraw/zinc/60/57/36/523605736.db2.gz CDFXIOMTIBWPTN-OAHLLOKOSA-N 1 2 355.467 2.470 20 30 FEEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+](CCO)Cc1cccnc1 ZINC000157061640 545695103 /nfs/dbraw/zinc/69/51/03/545695103.db2.gz ODPNQKAQRQBLJH-KRWDZBQOSA-N 1 2 352.438 2.211 20 30 FEEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](CCO)Cc1cccnc1 ZINC000157061640 545695109 /nfs/dbraw/zinc/69/51/09/545695109.db2.gz ODPNQKAQRQBLJH-KRWDZBQOSA-N 1 2 352.438 2.211 20 30 FEEDLO Cc1nc(N2CC[NH+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC2)sc1C ZINC000157466773 545744857 /nfs/dbraw/zinc/74/48/57/545744857.db2.gz LRIZPSBTLFCYQD-KBXCAEBGSA-N 1 2 363.531 2.325 20 30 FEEDLO CCOCCO[C@H]1CC[N@H+](CC(=O)Nc2sc(C)c(C)c2C#N)C1 ZINC000157759717 545779225 /nfs/dbraw/zinc/77/92/25/545779225.db2.gz ZFZVLDIPCOFMFV-AWEZNQCLSA-N 1 2 351.472 2.303 20 30 FEEDLO CCOCCO[C@H]1CC[N@@H+](CC(=O)Nc2sc(C)c(C)c2C#N)C1 ZINC000157759717 545779231 /nfs/dbraw/zinc/77/92/31/545779231.db2.gz ZFZVLDIPCOFMFV-AWEZNQCLSA-N 1 2 351.472 2.303 20 30 FEEDLO COc1cccc(OCC[NH+]2CCN(C(=O)C3(C#N)CCCC3)CC2)c1 ZINC000158096936 545822142 /nfs/dbraw/zinc/82/21/42/545822142.db2.gz KZUMJUUQBBDCEQ-UHFFFAOYSA-N 1 2 357.454 2.302 20 30 FEEDLO CCN(Cc1c[nH+]c2ccc(C#N)cn12)Cc1nc2ccccc2c(=O)[nH]1 ZINC000159889044 545989497 /nfs/dbraw/zinc/98/94/97/545989497.db2.gz XIOGTGNSTXMWFN-UHFFFAOYSA-N 1 2 358.405 2.465 20 30 FEEDLO Cc1nccc(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)c1Cl ZINC000159915432 545991726 /nfs/dbraw/zinc/99/17/26/545991726.db2.gz OLMPLKKIRYQCSB-UHFFFAOYSA-N 1 2 351.838 2.123 20 30 FEEDLO COc1ccc(OC)c(C[NH+]2CCN(C(=O)NCCCCC#N)CC2)c1 ZINC000170887033 546180935 /nfs/dbraw/zinc/18/09/35/546180935.db2.gz ITHYLBXSXWAZCE-UHFFFAOYSA-N 1 2 360.458 2.225 20 30 FEEDLO C#CCCCNC(=O)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000173518761 546283149 /nfs/dbraw/zinc/28/31/49/546283149.db2.gz NYFRVULNKNHPOL-UHFFFAOYSA-N 1 2 350.422 2.355 20 30 FEEDLO C[C@](C#N)(NC(=O)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)C1CC1 ZINC000174242516 546294017 /nfs/dbraw/zinc/29/40/17/546294017.db2.gz CPZDRZKMOISVIL-LJQANCHMSA-N 1 2 372.425 2.246 20 30 FEEDLO Cc1ccc([C@H](CNC(=O)N2CCC(C#N)CC2)[NH+]2CCOCC2)s1 ZINC000175025218 546305719 /nfs/dbraw/zinc/30/57/19/546305719.db2.gz XYTUNVOFOYRZKY-INIZCTEOSA-N 1 2 362.499 2.375 20 30 FEEDLO CCN(Cc1ccc2c(c1)OCCO2)C(=O)C[N@H+](CCC#N)CC1CC1 ZINC000177030532 546527417 /nfs/dbraw/zinc/52/74/17/546527417.db2.gz AANWYGGVMMFBQL-UHFFFAOYSA-N 1 2 357.454 2.432 20 30 FEEDLO CCN(Cc1ccc2c(c1)OCCO2)C(=O)C[N@@H+](CCC#N)CC1CC1 ZINC000177030532 546527422 /nfs/dbraw/zinc/52/74/22/546527422.db2.gz AANWYGGVMMFBQL-UHFFFAOYSA-N 1 2 357.454 2.432 20 30 FEEDLO C=CCN(CC=C)C(=O)[C@@H](C)O[NH+]=C(N)c1ccc(N2CCCCC2)nc1 ZINC000178149903 546746702 /nfs/dbraw/zinc/74/67/02/546746702.db2.gz BGKAYWWFHBBUEF-MRXNPFEDSA-N 1 2 371.485 2.298 20 30 FEEDLO N#Cc1ccc(OC2CCC(NC(=O)NCCCn3cc[nH+]c3)CC2)nc1 ZINC000180076962 547048051 /nfs/dbraw/zinc/04/80/51/547048051.db2.gz XDXHBGYIHRABJK-UHFFFAOYSA-N 1 2 368.441 2.229 20 30 FEEDLO C[NH+](C)Cc1nc(C(C)(C)NC(=O)c2ccc(C3(C#N)CC3)cc2)no1 ZINC000180218975 547068950 /nfs/dbraw/zinc/06/89/50/547068950.db2.gz AXWXQYXUHZBUBW-UHFFFAOYSA-N 1 2 353.426 2.351 20 30 FEEDLO Cc1nc(CC(N)=[NH+]O[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cs1 ZINC000180363298 547093061 /nfs/dbraw/zinc/09/30/61/547093061.db2.gz SJKWICRWLVDAQR-INIZCTEOSA-N 1 2 369.450 2.350 20 30 FEEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+](C)Cc2ccc(F)c(F)c2)CC1 ZINC000180538211 547126029 /nfs/dbraw/zinc/12/60/29/547126029.db2.gz KLGXKPDXJKYEGC-GOSISDBHSA-N 1 2 364.440 2.089 20 30 FEEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+](C)Cc2ccc(F)c(F)c2)CC1 ZINC000180538211 547126036 /nfs/dbraw/zinc/12/60/36/547126036.db2.gz KLGXKPDXJKYEGC-GOSISDBHSA-N 1 2 364.440 2.089 20 30 FEEDLO N#Cc1ccc(NC(=O)C[NH+]2CCC(O[C@@H]3CCOC3)CC2)cc1Cl ZINC000483047270 561265803 /nfs/dbraw/zinc/26/58/03/561265803.db2.gz KCGYUDAMQPTNOP-MRXNPFEDSA-N 1 2 363.845 2.420 20 30 FEEDLO Cc1oc(NC(=O)[C@H](C)[NH+]2CCC(O[C@@H]3CCOC3)CC2)c(C#N)c1C ZINC000483056331 561266254 /nfs/dbraw/zinc/26/62/54/561266254.db2.gz ONACXJGJEOOITA-XJKSGUPXSA-N 1 2 361.442 2.365 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182210344 547453579 /nfs/dbraw/zinc/45/35/79/547453579.db2.gz RTSSCSHAZPQUFR-UHFFFAOYSA-N 1 2 352.822 2.296 20 30 FEEDLO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(C#N)cc1Cl)c1ccco1 ZINC000183396590 547650735 /nfs/dbraw/zinc/65/07/35/547650735.db2.gz QFEURENEMGIRBY-ZDUSSCGKSA-N 1 2 353.831 2.386 20 30 FEEDLO CC(C)Cn1cc[nH+]c1CNC(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000184610414 547854635 /nfs/dbraw/zinc/85/46/35/547854635.db2.gz CXLQIPUKTNJNFC-UHFFFAOYSA-N 1 2 364.413 2.313 20 30 FEEDLO CCc1nc([C@@H](C)[NH2+]CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)cs1 ZINC000184722611 547870345 /nfs/dbraw/zinc/87/03/45/547870345.db2.gz QRPKHVUJNIZKJJ-ZBFHGGJFSA-N 1 2 363.531 2.048 20 30 FEEDLO CC[C@@H]1CCCC[C@H]1OCC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000184909864 547897854 /nfs/dbraw/zinc/89/78/54/547897854.db2.gz AWQNCDQMCYJAPZ-QZTJIDSGSA-N 1 2 351.491 2.046 20 30 FEEDLO Cn1cc(-c2cc(C[NH+]3CCN(c4cccc(F)c4C#N)CC3)on2)cn1 ZINC000184970483 547909483 /nfs/dbraw/zinc/90/94/83/547909483.db2.gz RNCOXCQDWIKWHW-UHFFFAOYSA-N 1 2 366.400 2.408 20 30 FEEDLO COc1cc(C#N)ccc1S(=O)(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000185407352 547980406 /nfs/dbraw/zinc/98/04/06/547980406.db2.gz PDYXQVHXLSJXBM-KRWDZBQOSA-N 1 2 371.462 2.244 20 30 FEEDLO COc1cc(C#N)ccc1S(=O)(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000185407352 547980410 /nfs/dbraw/zinc/98/04/10/547980410.db2.gz PDYXQVHXLSJXBM-KRWDZBQOSA-N 1 2 371.462 2.244 20 30 FEEDLO C[C@H]([NH2+]CC(=O)NC1(C#N)CCCCC1)c1cn(-c2ccccc2)nn1 ZINC000185462621 547987932 /nfs/dbraw/zinc/98/79/32/547987932.db2.gz RTXFQQTYGPOGKM-HNNXBMFYSA-N 1 2 352.442 2.261 20 30 FEEDLO C=CCNC(=O)NC(=O)C[NH2+][C@H](CC)c1nc(C(F)(F)F)cs1 ZINC000185959349 548065806 /nfs/dbraw/zinc/06/58/06/548065806.db2.gz CNYMUALLYNHBSD-MRVPVSSYSA-N 1 2 350.366 2.214 20 30 FEEDLO CC(C)CN1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)CC1=O ZINC000187079826 548250914 /nfs/dbraw/zinc/25/09/14/548250914.db2.gz DUSSOULWUAZOED-UHFFFAOYSA-N 1 2 374.510 2.237 20 30 FEEDLO CC(C)CN1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)CC1=O ZINC000187079826 548250918 /nfs/dbraw/zinc/25/09/18/548250918.db2.gz DUSSOULWUAZOED-UHFFFAOYSA-N 1 2 374.510 2.237 20 30 FEEDLO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1C[C@@H](OC)C[C@@H]1c1nc(C)no1 ZINC000189347743 548300319 /nfs/dbraw/zinc/30/03/19/548300319.db2.gz DNWOJLYWBVGXCE-OKZBNKHCSA-N 1 2 373.453 2.308 20 30 FEEDLO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1C[C@@H](OC)C[C@@H]1c1nc(C)no1 ZINC000189347743 548300326 /nfs/dbraw/zinc/30/03/26/548300326.db2.gz DNWOJLYWBVGXCE-OKZBNKHCSA-N 1 2 373.453 2.308 20 30 FEEDLO C=C(C)CS(=O)(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000189784506 548310701 /nfs/dbraw/zinc/31/07/01/548310701.db2.gz CIRWXIKINSPHRZ-HOTGVXAUSA-N 1 2 358.891 2.207 20 30 FEEDLO C=C(C)CS(=O)(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000189784506 548310705 /nfs/dbraw/zinc/31/07/05/548310705.db2.gz CIRWXIKINSPHRZ-HOTGVXAUSA-N 1 2 358.891 2.207 20 30 FEEDLO CCc1nnc(C2CC[NH+](CC(=O)N(C)C3(C#N)CCCCC3)CC2)[nH]1 ZINC000190702140 548332068 /nfs/dbraw/zinc/33/20/68/548332068.db2.gz QFBHZLPTNJXWJE-UHFFFAOYSA-N 1 2 358.490 2.231 20 30 FEEDLO CCc1n[nH]c(C2CC[NH+](CC(=O)N(C)C3(C#N)CCCCC3)CC2)n1 ZINC000190702140 548332075 /nfs/dbraw/zinc/33/20/75/548332075.db2.gz QFBHZLPTNJXWJE-UHFFFAOYSA-N 1 2 358.490 2.231 20 30 FEEDLO CCc1nc(C2CC[NH+](CC(=O)N(C)C3(C#N)CCCCC3)CC2)n[nH]1 ZINC000190702140 548332082 /nfs/dbraw/zinc/33/20/82/548332082.db2.gz QFBHZLPTNJXWJE-UHFFFAOYSA-N 1 2 358.490 2.231 20 30 FEEDLO N#CC(CC[NH+]1CCN(C(=O)CO)CC1)(c1ccccc1)c1ccccc1 ZINC000191598422 548348142 /nfs/dbraw/zinc/34/81/42/548348142.db2.gz CQLDZDYQZHNLMA-UHFFFAOYSA-N 1 2 363.461 2.023 20 30 FEEDLO Cn1c2ccc(C[NH+]3CCN(c4ccc(C#N)cn4)CC3)cc2sc1=O ZINC000194982931 548558968 /nfs/dbraw/zinc/55/89/68/548558968.db2.gz FAWMZHOAWWTGBG-UHFFFAOYSA-N 1 2 365.462 2.189 20 30 FEEDLO CCCC(=O)N[C@H]1CCC[N@@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000245201492 548899984 /nfs/dbraw/zinc/89/99/84/548899984.db2.gz QRNSSIYRBWFGQR-WMZOPIPTSA-N 1 2 354.454 2.044 20 30 FEEDLO CCCC(=O)N[C@H]1CCC[N@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000245201492 548899988 /nfs/dbraw/zinc/89/99/88/548899988.db2.gz QRNSSIYRBWFGQR-WMZOPIPTSA-N 1 2 354.454 2.044 20 30 FEEDLO Cc1cc(C[NH+]2CCN(CC(=O)NC3CCCCC3)CC2)ccc1C#N ZINC000488234157 561386738 /nfs/dbraw/zinc/38/67/38/561386738.db2.gz NCDBBUAQEYOUQB-UHFFFAOYSA-N 1 2 354.498 2.433 20 30 FEEDLO C[C@@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)C1 ZINC000246226804 549083695 /nfs/dbraw/zinc/08/36/95/549083695.db2.gz MCTGEDPSRKWRLE-WSTZPKSXSA-N 1 2 354.498 2.373 20 30 FEEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000246588545 549169092 /nfs/dbraw/zinc/16/90/92/549169092.db2.gz GNUDTJKVUXKWLC-CHWSQXEVSA-N 1 2 351.834 2.193 20 30 FEEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000246588545 549169093 /nfs/dbraw/zinc/16/90/93/549169093.db2.gz GNUDTJKVUXKWLC-CHWSQXEVSA-N 1 2 351.834 2.193 20 30 FEEDLO C[N@@H+]1CCN(S(=O)(=O)c2ccc(C#N)c(F)c2)[C@@H](c2ccccc2)C1 ZINC000489034457 561402045 /nfs/dbraw/zinc/40/20/45/561402045.db2.gz BMXIQENWPBAEPG-GOSISDBHSA-N 1 2 359.426 2.375 20 30 FEEDLO C[N@H+]1CCN(S(=O)(=O)c2ccc(C#N)c(F)c2)[C@@H](c2ccccc2)C1 ZINC000489034457 561402046 /nfs/dbraw/zinc/40/20/46/561402046.db2.gz BMXIQENWPBAEPG-GOSISDBHSA-N 1 2 359.426 2.375 20 30 FEEDLO C=CCCCS(=O)(=O)N1CC[NH+](Cc2ccc(OCC)cc2)CC1 ZINC000489059308 561402393 /nfs/dbraw/zinc/40/23/93/561402393.db2.gz HYVCKTJFIOYYCI-UHFFFAOYSA-N 1 2 352.500 2.499 20 30 FEEDLO N#Cc1ccc(NCC(=O)NCc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000247661047 549370052 /nfs/dbraw/zinc/37/00/52/549370052.db2.gz SHAKDDJUKWUTGF-UHFFFAOYSA-N 1 2 364.449 2.119 20 30 FEEDLO N#Cc1cccc(-c2c[nH]c(CNC(=O)c3cc(-n4cc[nH+]c4)ccn3)n2)c1 ZINC000489623446 561415789 /nfs/dbraw/zinc/41/57/89/561415789.db2.gz NIGCCSWRJUQSMS-UHFFFAOYSA-N 1 2 369.388 2.459 20 30 FEEDLO COC[C@@H]1C[N@@H+]([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C[C@@H](C)O1 ZINC000252003215 549660177 /nfs/dbraw/zinc/66/01/77/549660177.db2.gz WTPYQWNMTYDCKM-CBYDULDESA-N 1 2 351.491 2.041 20 30 FEEDLO COC[C@@H]1C[N@H+]([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C[C@@H](C)O1 ZINC000252003215 549660182 /nfs/dbraw/zinc/66/01/82/549660182.db2.gz WTPYQWNMTYDCKM-CBYDULDESA-N 1 2 351.491 2.041 20 30 FEEDLO COc1ccccc1C[N@H+](CCO)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000264094852 549978626 /nfs/dbraw/zinc/97/86/26/549978626.db2.gz QSIOXAWXMQWJLW-UHFFFAOYSA-N 1 2 359.470 2.174 20 30 FEEDLO COc1ccccc1C[N@@H+](CCO)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000264094852 549978628 /nfs/dbraw/zinc/97/86/28/549978628.db2.gz QSIOXAWXMQWJLW-UHFFFAOYSA-N 1 2 359.470 2.174 20 30 FEEDLO C#CCCNC(=O)NC[C@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCOCC1 ZINC000265100659 550006134 /nfs/dbraw/zinc/00/61/34/550006134.db2.gz TVTGOXVDSUWCQH-MRXNPFEDSA-N 1 2 369.387 2.401 20 30 FEEDLO COc1ccc(NC(=O)[C@@H](C)O[NH+]=C(N)[C@@H](C)OCC(C)C)c(OC)c1 ZINC000266198710 550018371 /nfs/dbraw/zinc/01/83/71/550018371.db2.gz KLTVAIZRKCPULJ-CHWSQXEVSA-N 1 2 367.446 2.381 20 30 FEEDLO CC(=O)Nc1cccc(NC(=O)[C@@H](C)O[NH+]=C(N)[C@H](C)OCC(C)C)c1 ZINC000266187989 550018611 /nfs/dbraw/zinc/01/86/11/550018611.db2.gz HVGCGLDTNWCPDJ-QWHCGFSZSA-N 1 2 364.446 2.322 20 30 FEEDLO N#Cc1ccc(NC(=O)C(=O)NCc2ccn3cc[nH+]c3c2)c(Cl)c1 ZINC000491511752 561446115 /nfs/dbraw/zinc/44/61/15/561446115.db2.gz IWUBIYZPCNPCMR-UHFFFAOYSA-N 1 2 353.769 2.114 20 30 FEEDLO Cc1nnc([C@H]2CCC[N@H+](CC(=O)Nc3ccc(C#N)c(Cl)c3)C2)[nH]1 ZINC000268524408 550081647 /nfs/dbraw/zinc/08/16/47/550081647.db2.gz XLEVLLLEPUFRQO-ZDUSSCGKSA-N 1 2 358.833 2.456 20 30 FEEDLO Cc1nnc([C@H]2CCC[N@@H+](CC(=O)Nc3ccc(C#N)c(Cl)c3)C2)[nH]1 ZINC000268524408 550081650 /nfs/dbraw/zinc/08/16/50/550081650.db2.gz XLEVLLLEPUFRQO-ZDUSSCGKSA-N 1 2 358.833 2.456 20 30 FEEDLO Cc1n[nH]c([C@H]2CCC[N@H+](CC(=O)Nc3ccc(C#N)c(Cl)c3)C2)n1 ZINC000268524408 550081653 /nfs/dbraw/zinc/08/16/53/550081653.db2.gz XLEVLLLEPUFRQO-ZDUSSCGKSA-N 1 2 358.833 2.456 20 30 FEEDLO Cc1n[nH]c([C@H]2CCC[N@@H+](CC(=O)Nc3ccc(C#N)c(Cl)c3)C2)n1 ZINC000268524408 550081655 /nfs/dbraw/zinc/08/16/55/550081655.db2.gz XLEVLLLEPUFRQO-ZDUSSCGKSA-N 1 2 358.833 2.456 20 30 FEEDLO CCOCc1ccccc1CNC(=O)CO[NH+]=C(N)[C@H](C)OCC(C)C ZINC000268547913 550085268 /nfs/dbraw/zinc/08/52/68/550085268.db2.gz CISFAMXDCPNNAY-HNNXBMFYSA-N 1 2 365.474 2.189 20 30 FEEDLO CC(=O)N[C@@H]1CC[C@@H](C(F)(F)F)N(Cc2c[nH+]c3ccc(C#N)cn23)C1 ZINC000492692194 561452377 /nfs/dbraw/zinc/45/23/77/561452377.db2.gz OWKBROLHZRRULG-HIFRSBDPSA-N 1 2 365.359 2.237 20 30 FEEDLO CC(=O)c1ccc(NC(=O)[C@H](C)O[NH+]=C(N)c2ccc3c(c2)CCO3)cc1 ZINC000269886584 550233718 /nfs/dbraw/zinc/23/37/18/550233718.db2.gz UXTAAOPGYOKLEQ-ZDUSSCGKSA-N 1 2 367.405 2.488 20 30 FEEDLO C=C(C)[C@H](CC(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1)OCC ZINC000270142884 550252032 /nfs/dbraw/zinc/25/20/32/550252032.db2.gz SGWPFUJOVYYJQC-SFHVURJKSA-N 1 2 356.470 2.350 20 30 FEEDLO C#CC[C@H](NC(=O)NCc1ccc[nH+]c1N1CCOCC1)c1ccccc1 ZINC000270509293 550278653 /nfs/dbraw/zinc/27/86/53/550278653.db2.gz ZZVLVPIACLGKJM-IBGZPJMESA-N 1 2 364.449 2.482 20 30 FEEDLO Cc1cc(NC(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)nn1CCC#N ZINC000271076247 550337951 /nfs/dbraw/zinc/33/79/51/550337951.db2.gz RXODQHBDDUNGIH-IBGZPJMESA-N 1 2 367.453 2.242 20 30 FEEDLO C[N@H+](Cc1cscn1)Cc1cccc(NC(=O)C(=O)NCCCC#N)c1 ZINC000273098060 550484894 /nfs/dbraw/zinc/48/48/94/550484894.db2.gz KHBFOZDRWDGLLG-UHFFFAOYSA-N 1 2 371.466 2.134 20 30 FEEDLO C[N@@H+](Cc1cscn1)Cc1cccc(NC(=O)C(=O)NCCCC#N)c1 ZINC000273098060 550484895 /nfs/dbraw/zinc/48/48/95/550484895.db2.gz KHBFOZDRWDGLLG-UHFFFAOYSA-N 1 2 371.466 2.134 20 30 FEEDLO C#CC[N@@H+](CC(=O)NCc1c(C)nn(Cc2ccccc2)c1C)C1CC1 ZINC000274116096 550523730 /nfs/dbraw/zinc/52/37/30/550523730.db2.gz GBCNBFVLAJGZJT-UHFFFAOYSA-N 1 2 350.466 2.262 20 30 FEEDLO C#CC[N@H+](CC(=O)NCc1c(C)nn(Cc2ccccc2)c1C)C1CC1 ZINC000274116096 550523732 /nfs/dbraw/zinc/52/37/32/550523732.db2.gz GBCNBFVLAJGZJT-UHFFFAOYSA-N 1 2 350.466 2.262 20 30 FEEDLO CCn1nc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)c2ccccc21 ZINC000274439611 550537741 /nfs/dbraw/zinc/53/77/41/550537741.db2.gz BOGUZWIPHCQOHI-HNNXBMFYSA-N 1 2 361.453 2.429 20 30 FEEDLO CCn1nc(C[N@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)c2ccccc21 ZINC000274439611 550537742 /nfs/dbraw/zinc/53/77/42/550537742.db2.gz BOGUZWIPHCQOHI-HNNXBMFYSA-N 1 2 361.453 2.429 20 30 FEEDLO CN1CCN(c2cc(N[C@@H](CCC#N)c3ccccc3)[nH+]cn2)CC1=O ZINC000274887344 550562785 /nfs/dbraw/zinc/56/27/85/550562785.db2.gz ISIPVBDVSPOVMU-INIZCTEOSA-N 1 2 350.426 2.212 20 30 FEEDLO CN1CCN(c2cc(N[C@@H](CCC#N)c3ccccc3)nc[nH+]2)CC1=O ZINC000274887344 550562786 /nfs/dbraw/zinc/56/27/86/550562786.db2.gz ISIPVBDVSPOVMU-INIZCTEOSA-N 1 2 350.426 2.212 20 30 FEEDLO C[NH+](C)C1(C#N)CCN(C(=O)N[C@H]2CCCN(c3cccc(F)c3)C2)CC1 ZINC000274894219 550562874 /nfs/dbraw/zinc/56/28/74/550562874.db2.gz BQXJRWPTIPGDRT-KRWDZBQOSA-N 1 2 373.476 2.424 20 30 FEEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000277439665 550670819 /nfs/dbraw/zinc/67/08/19/550670819.db2.gz JFLQBGBRKZZQSU-UHFFFAOYSA-N 1 2 354.454 2.121 20 30 FEEDLO N#CCCCNC(=O)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000278078369 550746555 /nfs/dbraw/zinc/74/65/55/550746555.db2.gz NSPNLURBWHYKDZ-UHFFFAOYSA-N 1 2 351.410 2.245 20 30 FEEDLO N#Cc1ccc(CNC(=O)C[NH+]2CCC(Oc3ncccc3F)CC2)cc1 ZINC000278348316 550775730 /nfs/dbraw/zinc/77/57/30/550775730.db2.gz QAYIOUBTDRYRFP-UHFFFAOYSA-N 1 2 368.412 2.252 20 30 FEEDLO CC[C@H]1C(=O)N(CC)CC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000495210758 561484469 /nfs/dbraw/zinc/48/44/69/561484469.db2.gz LJFATLPVKSTGSU-HNNXBMFYSA-N 1 2 374.510 2.380 20 30 FEEDLO CC[C@H]1C(=O)N(CC)CC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000495210758 561484470 /nfs/dbraw/zinc/48/44/70/561484470.db2.gz LJFATLPVKSTGSU-HNNXBMFYSA-N 1 2 374.510 2.380 20 30 FEEDLO C[C@@H](NC(=O)c1cc(-c2cccc(C#N)c2)no1)[C@H](C)[NH+]1CCOCC1 ZINC000279293052 550874336 /nfs/dbraw/zinc/87/43/36/550874336.db2.gz UTFUQJDLNZUZCZ-KGLIPLIRSA-N 1 2 354.410 2.052 20 30 FEEDLO C[C@@H](NC(=O)c1cc(-c2cccc(C#N)c2)no1)[C@@H](C)[NH+]1CCOCC1 ZINC000279293056 550874422 /nfs/dbraw/zinc/87/44/22/550874422.db2.gz UTFUQJDLNZUZCZ-ZIAGYGMSSA-N 1 2 354.410 2.052 20 30 FEEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000280750931 551028333 /nfs/dbraw/zinc/02/83/33/551028333.db2.gz SYHZPONVCAXMMI-MAUKXSAKSA-N 1 2 360.458 2.329 20 30 FEEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)C(=O)c3ccc(O)cc3)CC2)cc1 ZINC000280845212 551038494 /nfs/dbraw/zinc/03/84/94/551038494.db2.gz VWUMCEFCUMFDHB-UHFFFAOYSA-N 1 2 363.417 2.181 20 30 FEEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)c3ccc(O)cc3)CC2)cc1 ZINC000280845212 551038496 /nfs/dbraw/zinc/03/84/96/551038496.db2.gz VWUMCEFCUMFDHB-UHFFFAOYSA-N 1 2 363.417 2.181 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000281727613 551136050 /nfs/dbraw/zinc/13/60/50/551136050.db2.gz FRJGLRBBECRNJI-UHOSZYNNSA-N 1 2 358.486 2.451 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000281824493 551145417 /nfs/dbraw/zinc/14/54/17/551145417.db2.gz PJLYKWYTJGFAFD-RDJZCZTQSA-N 1 2 368.437 2.123 20 30 FEEDLO C=CCn1c(C2CC2)nnc1N1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000282252207 551202005 /nfs/dbraw/zinc/20/20/05/551202005.db2.gz KWGXLBDVLFWWDV-UHFFFAOYSA-N 1 2 366.469 2.102 20 30 FEEDLO C#Cc1cc(F)c(NC(=O)C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c(F)c1 ZINC000283278514 551340793 /nfs/dbraw/zinc/34/07/93/551340793.db2.gz NLTXUIMRKSISTE-LRDDRELGSA-N 1 2 372.375 2.191 20 30 FEEDLO CC(C)CO[C@H](C)C(N)=[NH+]O[C@H](C)C(=O)N1CCc2sccc2C1 ZINC000283408080 551361180 /nfs/dbraw/zinc/36/11/80/551361180.db2.gz OOXVTOMFKBARFM-CHWSQXEVSA-N 1 2 353.488 2.371 20 30 FEEDLO C=CCCCCNC(=O)C(=O)N[C@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000284398806 551541349 /nfs/dbraw/zinc/54/13/49/551541349.db2.gz QYILWIKSPKGVOG-INIZCTEOSA-N 1 2 358.417 2.237 20 30 FEEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)CO[NH+]=C(N)[C@H]1CCCO1 ZINC000284565303 551578680 /nfs/dbraw/zinc/57/86/80/551578680.db2.gz WQDXCXPECZTTNF-GXTWGEPZSA-N 1 2 362.455 2.487 20 30 FEEDLO Cc1noc([C@@H]2CCCN2CC#CC[N@@H+]2CCC[C@H]2c2nc(C)no2)n1 ZINC000285534916 551771201 /nfs/dbraw/zinc/77/12/01/551771201.db2.gz FRQNBNFVPFIUFV-HOTGVXAUSA-N 1 2 356.430 2.047 20 30 FEEDLO Cc1noc([C@@H]2CCCN2CC#CC[N@H+]2CCC[C@H]2c2nc(C)no2)n1 ZINC000285534916 551771202 /nfs/dbraw/zinc/77/12/02/551771202.db2.gz FRQNBNFVPFIUFV-HOTGVXAUSA-N 1 2 356.430 2.047 20 30 FEEDLO C=CCOc1ccccc1CNC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000286598594 551904586 /nfs/dbraw/zinc/90/45/86/551904586.db2.gz GVTJPGGMYRFXDY-SJLPKXTDSA-N 1 2 359.470 2.256 20 30 FEEDLO N#Cc1ccc(N2CC[C@H]([N@H+]3CC[C@H](C(F)(F)F)[C@@H](CO)C3)C2=O)cc1 ZINC000286631063 551908578 /nfs/dbraw/zinc/90/85/78/551908578.db2.gz SNUINIVEOFNEKI-KBMXLJTQSA-N 1 2 367.371 2.156 20 30 FEEDLO N#Cc1ccc(N2CC[C@H]([N@@H+]3CC[C@H](C(F)(F)F)[C@@H](CO)C3)C2=O)cc1 ZINC000286631063 551908580 /nfs/dbraw/zinc/90/85/80/551908580.db2.gz SNUINIVEOFNEKI-KBMXLJTQSA-N 1 2 367.371 2.156 20 30 FEEDLO COc1cc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)ccn1 ZINC000287254883 551981854 /nfs/dbraw/zinc/98/18/54/551981854.db2.gz ICQMWXBAUHMLPE-UHFFFAOYSA-N 1 2 351.410 2.312 20 30 FEEDLO COC(C[N@H+](CCCO)Cc1ccc(Br)cc1C#N)OC ZINC000287829181 552052193 /nfs/dbraw/zinc/05/21/93/552052193.db2.gz QBWBIPOMQKBLHY-UHFFFAOYSA-N 1 2 357.248 2.124 20 30 FEEDLO COC(C[N@@H+](CCCO)Cc1ccc(Br)cc1C#N)OC ZINC000287829181 552052194 /nfs/dbraw/zinc/05/21/94/552052194.db2.gz QBWBIPOMQKBLHY-UHFFFAOYSA-N 1 2 357.248 2.124 20 30 FEEDLO Cc1onc(CC(=O)N[C@H](c2[nH+]ccn2C)c2ccc(F)cc2)c1C#N ZINC000499621779 561554751 /nfs/dbraw/zinc/55/47/51/561554751.db2.gz LBIFTVPRMCERFQ-KRWDZBQOSA-N 1 2 353.357 2.176 20 30 FEEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000499650402 561555310 /nfs/dbraw/zinc/55/53/10/561555310.db2.gz STTJFICQFZFHGQ-UHFFFAOYSA-N 1 2 373.416 2.037 20 30 FEEDLO CCC[C@]1(CO)CC[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 ZINC000288773673 552209971 /nfs/dbraw/zinc/20/99/71/552209971.db2.gz JVUNOOKYOCLPJQ-FQEVSTJZSA-N 1 2 367.453 2.167 20 30 FEEDLO CCC[C@]1(CO)CC[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 ZINC000288773673 552209973 /nfs/dbraw/zinc/20/99/73/552209973.db2.gz JVUNOOKYOCLPJQ-FQEVSTJZSA-N 1 2 367.453 2.167 20 30 FEEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](c3nc(=O)[nH][nH]3)C2)c(Br)c1 ZINC000289349281 552305308 /nfs/dbraw/zinc/30/53/08/552305308.db2.gz FYKKMHPXILACRK-LBPRGKRZSA-N 1 2 362.231 2.112 20 30 FEEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](c3nc(=O)[nH][nH]3)C2)c(Br)c1 ZINC000289349281 552305310 /nfs/dbraw/zinc/30/53/10/552305310.db2.gz FYKKMHPXILACRK-LBPRGKRZSA-N 1 2 362.231 2.112 20 30 FEEDLO COc1ccc2c(c1)C1(CC1)C[N@@H+](CC(=O)N(CCC#N)CCC#N)C2 ZINC000289735634 552369878 /nfs/dbraw/zinc/36/98/78/552369878.db2.gz XWHHEAXCCLSAAE-UHFFFAOYSA-N 1 2 352.438 2.198 20 30 FEEDLO COc1ccc2c(c1)C1(CC1)C[N@H+](CC(=O)N(CCC#N)CCC#N)C2 ZINC000289735634 552369879 /nfs/dbraw/zinc/36/98/79/552369879.db2.gz XWHHEAXCCLSAAE-UHFFFAOYSA-N 1 2 352.438 2.198 20 30 FEEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC000291638781 552646549 /nfs/dbraw/zinc/64/65/49/552646549.db2.gz DQLXZWQCTJTPJK-ZYHUDNBSSA-N 1 2 357.788 2.488 20 30 FEEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC000291638781 552646550 /nfs/dbraw/zinc/64/65/50/552646550.db2.gz DQLXZWQCTJTPJK-ZYHUDNBSSA-N 1 2 357.788 2.488 20 30 FEEDLO C[C@H](C(=O)Nc1cccnc1Cl)[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292102552 552694143 /nfs/dbraw/zinc/69/41/43/552694143.db2.gz GMMXOUZNVSOQQR-TZMCWYRMSA-N 1 2 371.828 2.482 20 30 FEEDLO C[C@H](C(=O)Nc1cccnc1Cl)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292102552 552694145 /nfs/dbraw/zinc/69/41/45/552694145.db2.gz GMMXOUZNVSOQQR-TZMCWYRMSA-N 1 2 371.828 2.482 20 30 FEEDLO C=CCc1ccc(OC[C@@H](O)C[NH2+][C@@](C)(CC)C(=O)OC)c(OC)c1 ZINC000293041349 552783257 /nfs/dbraw/zinc/78/32/57/552783257.db2.gz FBHJDPRWLXAKRW-KXBFYZLASA-N 1 2 351.443 2.095 20 30 FEEDLO C=CCc1ccc(OC[C@H](O)C[NH2+][C@@](C)(CC)C(=O)OC)c(OC)c1 ZINC000293041336 552783263 /nfs/dbraw/zinc/78/32/63/552783263.db2.gz FBHJDPRWLXAKRW-BEFAXECRSA-N 1 2 351.443 2.095 20 30 FEEDLO N#C[C@@H]1CC[C@@H]([NH+]2CCN(S(=O)(=O)c3ccc(F)c(F)c3F)CC2)C1 ZINC000293424068 552822194 /nfs/dbraw/zinc/82/21/94/552822194.db2.gz IXGNYROGBLKBSZ-VXGBXAGGSA-N 1 2 373.400 2.102 20 30 FEEDLO C=CCn1c(=O)c2ccc(C(=O)N3CC[C@H](C)C[C@@H]3C[NH3+])cc2[nH]c1=S ZINC000293691017 552847635 /nfs/dbraw/zinc/84/76/35/552847635.db2.gz PCFLGSJMADAUGA-GXTWGEPZSA-N 1 2 372.494 2.071 20 30 FEEDLO C=C(C)Cn1c([C@@H]2CCCO2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000296136014 553110654 /nfs/dbraw/zinc/11/06/54/553110654.db2.gz XKVIOHKBAHXQSF-INIZCTEOSA-N 1 2 354.458 2.427 20 30 FEEDLO Cn1cc[nH+]c1[C@H]1N(C(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1(C)C ZINC000296460966 553163880 /nfs/dbraw/zinc/16/38/80/553163880.db2.gz ZUIJCXWCEYPLRG-CQSZACIVSA-N 1 2 371.828 2.493 20 30 FEEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CC[C@@H](OC(=O)N(C)C)C2)c1C ZINC000296676987 553197024 /nfs/dbraw/zinc/19/70/24/553197024.db2.gz LCAUHGHPWLSEBU-QGZVFWFLSA-N 1 2 372.469 2.323 20 30 FEEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H](OC(=O)N(C)C)C2)c1C ZINC000296676987 553197025 /nfs/dbraw/zinc/19/70/25/553197025.db2.gz LCAUHGHPWLSEBU-QGZVFWFLSA-N 1 2 372.469 2.323 20 30 FEEDLO C[C@@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)CC(=O)N1C ZINC000502952377 561630831 /nfs/dbraw/zinc/63/08/31/561630831.db2.gz LNNPPOIHOBNBFL-QWHCGFSZSA-N 1 2 374.510 2.236 20 30 FEEDLO C[C@@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)CC(=O)N1C ZINC000502952377 561630832 /nfs/dbraw/zinc/63/08/32/561630832.db2.gz LNNPPOIHOBNBFL-QWHCGFSZSA-N 1 2 374.510 2.236 20 30 FEEDLO N#Cc1cnc(Nc2ccn(CC[NH+]3CCOCC3)n2)c2sccc21 ZINC000601115554 553349448 /nfs/dbraw/zinc/34/94/48/553349448.db2.gz IPEKOVKBFINBIY-UHFFFAOYSA-N 1 2 354.439 2.440 20 30 FEEDLO C=C(C)CN(CC)C(=O)C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000297969617 553364424 /nfs/dbraw/zinc/36/44/24/553364424.db2.gz WCFKFBZPZRUQRO-INIZCTEOSA-N 1 2 358.486 2.350 20 30 FEEDLO C=CCCN(C)C(=O)C(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000298010661 553370721 /nfs/dbraw/zinc/37/07/21/553370721.db2.gz SKXXOKZBJXNNJV-UHFFFAOYSA-N 1 2 358.486 2.181 20 30 FEEDLO CCCNC(=O)C1CC[NH+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC1 ZINC000298143730 553389953 /nfs/dbraw/zinc/38/99/53/553389953.db2.gz UTKMURWEVCPPMY-CYBMUJFWSA-N 1 2 360.458 2.333 20 30 FEEDLO N#CCc1ccc(NC(=O)NCc2cc[nH+]c(N3CCOCC3)c2)cc1 ZINC000298469484 553428606 /nfs/dbraw/zinc/42/86/06/553428606.db2.gz QLOSZYKXJQCSRB-UHFFFAOYSA-N 1 2 351.410 2.306 20 30 FEEDLO C=CCNS(=O)(=O)c1ccc(C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)cc1 ZINC000299485050 553569799 /nfs/dbraw/zinc/56/97/99/553569799.db2.gz DOIVIJLARGNIOC-INIZCTEOSA-N 1 2 374.466 2.241 20 30 FEEDLO N#Cc1nc(N2CC[NH+](CC(=O)N3CCCCCC3)CC2)ccc1Cl ZINC000299670276 553600782 /nfs/dbraw/zinc/60/07/82/553600782.db2.gz SBJOFHMOPIKAQK-UHFFFAOYSA-N 1 2 361.877 2.131 20 30 FEEDLO C#CCNC(=O)c1ccc(N2CC[NH+](Cc3cccc(Cl)c3)CC2)nc1 ZINC000301069381 553619205 /nfs/dbraw/zinc/61/92/05/553619205.db2.gz FGAJWWQREQJWCJ-UHFFFAOYSA-N 1 2 368.868 2.420 20 30 FEEDLO N#CCCn1ccc(=NC(=O)NCc2cc[nH+]c(N3CCSCC3)c2)[nH]1 ZINC000602852311 553651415 /nfs/dbraw/zinc/65/14/15/553651415.db2.gz PAVSFOMGDATFNZ-UHFFFAOYSA-N 1 2 371.470 2.067 20 30 FEEDLO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000321645003 553766892 /nfs/dbraw/zinc/76/68/92/553766892.db2.gz BMGBEOIMEAICBZ-TZMCWYRMSA-N 1 2 353.875 2.459 20 30 FEEDLO C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000321645003 553766893 /nfs/dbraw/zinc/76/68/93/553766893.db2.gz BMGBEOIMEAICBZ-TZMCWYRMSA-N 1 2 353.875 2.459 20 30 FEEDLO N#Cc1ccc(N2CCC[C@@H](NC(=O)Cc3cn4ccccc4[nH+]3)C2=O)cc1 ZINC000505636077 561676077 /nfs/dbraw/zinc/67/60/77/561676077.db2.gz WQOJXUSYPCQQQM-GOSISDBHSA-N 1 2 373.416 2.060 20 30 FEEDLO CCS(=O)(=O)N1CCC[C@H](C(=O)NC[C@H]2CCCn3cc(C)[nH+]c32)C1 ZINC000328826098 553828467 /nfs/dbraw/zinc/82/84/67/553828467.db2.gz QDGKXIPTRRTNPV-CABCVRRESA-N 1 2 368.503 2.087 20 30 FEEDLO Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)N[C@@H]2CCO[C@H]2C2CC2)cc1 ZINC000328845301 553831865 /nfs/dbraw/zinc/83/18/65/553831865.db2.gz RNGRWTXGWGGOGH-AABGKKOBSA-N 1 2 373.497 2.439 20 30 FEEDLO C[N@@H+]1CC[C@H](NC(=O)N2CCc3cncnc3C2)[C@H]1c1ccc(F)c(F)c1 ZINC000328923886 553845305 /nfs/dbraw/zinc/84/53/05/553845305.db2.gz NHVVIHRSOLADIL-FUHWJXTLSA-N 1 2 373.407 2.472 20 30 FEEDLO C[N@H+]1CC[C@H](NC(=O)N2CCc3cncnc3C2)[C@H]1c1ccc(F)c(F)c1 ZINC000328923886 553845306 /nfs/dbraw/zinc/84/53/06/553845306.db2.gz NHVVIHRSOLADIL-FUHWJXTLSA-N 1 2 373.407 2.472 20 30 FEEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+](C)Cc1cnc(N(C)C)nc1 ZINC000506027979 561687717 /nfs/dbraw/zinc/68/77/17/561687717.db2.gz PXNICIUOWAXJQT-NGEICVOHSA-N 1 2 372.517 2.294 20 30 FEEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+](C)Cc1cnc(N(C)C)nc1 ZINC000506027979 561687718 /nfs/dbraw/zinc/68/77/18/561687718.db2.gz PXNICIUOWAXJQT-NGEICVOHSA-N 1 2 372.517 2.294 20 30 FEEDLO N#Cc1cccc(F)c1CC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000506052423 561688943 /nfs/dbraw/zinc/68/89/43/561688943.db2.gz ZOTPNKJIBBSGOY-SFHVURJKSA-N 1 2 367.424 2.257 20 30 FEEDLO N#Cc1cccc(F)c1CC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000506052423 561688944 /nfs/dbraw/zinc/68/89/44/561688944.db2.gz ZOTPNKJIBBSGOY-SFHVURJKSA-N 1 2 367.424 2.257 20 30 FEEDLO Cn1cc([C@H]2C[N@H+](CC(=O)Nc3nc4c(s3)CCC4)C[C@@H]2C(N)=O)cn1 ZINC000329124964 553884515 /nfs/dbraw/zinc/88/45/15/553884515.db2.gz MBYYTNJLLSALSI-NEPJUHHUSA-N 1 2 374.470 2.204 20 30 FEEDLO Cn1cc([C@H]2C[N@@H+](CC(=O)Nc3nc4c(s3)CCC4)C[C@@H]2C(N)=O)cn1 ZINC000329124964 553884518 /nfs/dbraw/zinc/88/45/18/553884518.db2.gz MBYYTNJLLSALSI-NEPJUHHUSA-N 1 2 374.470 2.204 20 30 FEEDLO O=C(NCc1ccccc1-n1cc[nH+]c1)N[C@@H]1CCO[C@]2(CCOC2)C1 ZINC000329128304 553885369 /nfs/dbraw/zinc/88/53/69/553885369.db2.gz VHMUWUFJRKQLPU-VQIMIIECSA-N 1 2 356.426 2.214 20 30 FEEDLO C=CCNC(=O)C[NH+]1CCN(Cc2ccccc2OC(F)(F)F)CC1 ZINC000506280217 561694908 /nfs/dbraw/zinc/69/49/08/561694908.db2.gz NKYHFIDTYJFGPI-UHFFFAOYSA-N 1 2 357.376 2.005 20 30 FEEDLO CCN1CCOC[C@@H]1C(=O)NC[C@@H](c1ccc(C)s1)[NH+]1CCOCC1 ZINC000329183339 553897111 /nfs/dbraw/zinc/89/71/11/553897111.db2.gz FPBRCCJXOQMGEP-JKSUJKDBSA-N 1 2 367.515 2.107 20 30 FEEDLO CCO[C@@H]1C[C@H](NC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)C12CCCC2 ZINC000329244183 553909745 /nfs/dbraw/zinc/90/97/45/553909745.db2.gz UHGSWBNPZAWGES-XWTMOSNGSA-N 1 2 365.518 2.433 20 30 FEEDLO CC1=CCCN(C(=O)N[C@@H]2CCC(=O)N(C3CC3)[C@H]2c2c[nH+]cn2C)C1 ZINC000329249755 553910621 /nfs/dbraw/zinc/91/06/21/553910621.db2.gz XGMWXOVDOAMKRK-CRAIPNDOSA-N 1 2 357.458 2.181 20 30 FEEDLO O=C(CCNC(=O)[C@@H]1CCCCS1)N1CCN(c2cccc[nH+]2)CC1 ZINC000329332430 553926955 /nfs/dbraw/zinc/92/69/55/553926955.db2.gz MTURSXRNBPRHPC-HNNXBMFYSA-N 1 2 362.499 2.363 20 30 FEEDLO Cn1nnnc1SCCC(=O)N[C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000329367522 553933210 /nfs/dbraw/zinc/93/32/10/553933210.db2.gz HKYYWKJMGLBMCU-NSHDSACASA-N 1 2 363.491 2.158 20 30 FEEDLO C[N@@H+](CC(=O)NC1(c2ccccc2)CCC1)C[C@@H]1CCS(=O)(=O)C1 ZINC000329440872 553948127 /nfs/dbraw/zinc/94/81/27/553948127.db2.gz AIGGMTUXKMYUNA-HNNXBMFYSA-N 1 2 350.484 2.389 20 30 FEEDLO C[N@H+](CC(=O)NC1(c2ccccc2)CCC1)C[C@@H]1CCS(=O)(=O)C1 ZINC000329440872 553948129 /nfs/dbraw/zinc/94/81/29/553948129.db2.gz AIGGMTUXKMYUNA-HNNXBMFYSA-N 1 2 350.484 2.389 20 30 FEEDLO O=C(N[C@@H]1CCCN(c2cccnc2)C1=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000329508582 553959375 /nfs/dbraw/zinc/95/93/75/553959375.db2.gz HZEBSRPZCFIMIA-GDBMZVCRSA-N 1 2 368.441 2.094 20 30 FEEDLO N#Cc1cccc([C@@H]2CN(C(=O)[C@H]3COCC[N@@H+]3C3CCCC3)CCO2)c1 ZINC000329528169 553962132 /nfs/dbraw/zinc/96/21/32/553962132.db2.gz ICLIRADCNQRNNZ-UXHICEINSA-N 1 2 369.465 2.102 20 30 FEEDLO N#Cc1cccc([C@@H]2CN(C(=O)[C@H]3COCC[N@H+]3C3CCCC3)CCO2)c1 ZINC000329528169 553962134 /nfs/dbraw/zinc/96/21/34/553962134.db2.gz ICLIRADCNQRNNZ-UXHICEINSA-N 1 2 369.465 2.102 20 30 FEEDLO Cc1nc(N2CCN(C([O-])=[NH+][C@H]3CCc4ccccc4C3)CC2)cc[nH+]1 ZINC000329568464 553968674 /nfs/dbraw/zinc/96/86/74/553968674.db2.gz LNMBHVUCDFBZNA-SFHVURJKSA-N 1 2 351.454 2.379 20 30 FEEDLO Cc1nc(N2CCN(C(=O)N[C@H]3CCc4ccccc4C3)CC2)cc[nH+]1 ZINC000329568464 553968676 /nfs/dbraw/zinc/96/86/76/553968676.db2.gz LNMBHVUCDFBZNA-SFHVURJKSA-N 1 2 351.454 2.379 20 30 FEEDLO O=C(CNC(=O)[C@@H]1SCCc2sccc21)NCC[NH+]1CCOCC1 ZINC000329637721 553981009 /nfs/dbraw/zinc/98/10/09/553981009.db2.gz VUGKAJBPMOMLIF-OAHLLOKOSA-N 1 2 369.512 2.324 20 30 FEEDLO COc1ccc([C@H](NC(=O)C[N@@H+]2CCN3CCOC[C@@H]3C2)C(C)C)cc1 ZINC000329669413 553985726 /nfs/dbraw/zinc/98/57/26/553985726.db2.gz MIVFSYONMMKIDV-FXAWDEMLSA-N 1 2 361.486 2.365 20 30 FEEDLO COc1ccc([C@H](NC(=O)C[N@H+]2CCN3CCOC[C@@H]3C2)C(C)C)cc1 ZINC000329669413 553985728 /nfs/dbraw/zinc/98/57/28/553985728.db2.gz MIVFSYONMMKIDV-FXAWDEMLSA-N 1 2 361.486 2.365 20 30 FEEDLO O=C(NCc1cc[nH+]c(N2CCOCC2)c1)NC[C@H]1CCCCS1 ZINC000329680576 553987085 /nfs/dbraw/zinc/98/70/85/553987085.db2.gz XXEVTIVUKAEYKG-OAHLLOKOSA-N 1 2 350.488 2.208 20 30 FEEDLO [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1C[C@H](O)C[C@H]1c1cc(F)ccc1F ZINC000329699520 553991042 /nfs/dbraw/zinc/99/10/42/553991042.db2.gz DDVCOIXNBQUJKQ-QFSBIZTOSA-N 1 2 362.380 2.267 20 30 FEEDLO [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1C[C@H](O)C[C@H]1c1cc(F)ccc1F ZINC000329699520 553991043 /nfs/dbraw/zinc/99/10/43/553991043.db2.gz DDVCOIXNBQUJKQ-QFSBIZTOSA-N 1 2 362.380 2.267 20 30 FEEDLO O=C(CN1CCN(Cc2[nH]cc[nH+]2)CC1)Nc1nc2c(s1)CCCC2 ZINC000329700991 553992041 /nfs/dbraw/zinc/99/20/41/553992041.db2.gz HBXNTRPWHYBURK-UHFFFAOYSA-N 1 2 360.487 2.151 20 30 FEEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)NC[C@@H]3CCCO[C@H]3c3ccccc3)C[C@@H]21 ZINC000329741578 553998355 /nfs/dbraw/zinc/99/83/55/553998355.db2.gz VZUWMACZLAJEPR-OKYOBFRVSA-N 1 2 359.470 2.083 20 30 FEEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)NC[C@@H]3CCCO[C@H]3c3ccccc3)C[C@@H]21 ZINC000329741578 553998356 /nfs/dbraw/zinc/99/83/56/553998356.db2.gz VZUWMACZLAJEPR-OKYOBFRVSA-N 1 2 359.470 2.083 20 30 FEEDLO C[C@H](COc1cccc(F)c1)NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000329800703 554008661 /nfs/dbraw/zinc/00/86/61/554008661.db2.gz IPWVHKFJAMXCGR-WBVHZDCISA-N 1 2 365.449 2.304 20 30 FEEDLO CSc1nc(C2CC2)nc(C)c1C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000329891650 554025722 /nfs/dbraw/zinc/02/57/22/554025722.db2.gz IEAGGMASTXHILA-LLVKDONJSA-N 1 2 350.488 2.410 20 30 FEEDLO CSc1nc(C2CC2)nc(C)c1C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000329891650 554025725 /nfs/dbraw/zinc/02/57/25/554025725.db2.gz IEAGGMASTXHILA-LLVKDONJSA-N 1 2 350.488 2.410 20 30 FEEDLO C[C@]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)(C(N)=O)c1ccccc1 ZINC000507370798 561726747 /nfs/dbraw/zinc/72/67/47/561726747.db2.gz NJQKBANMJWOKOS-GOSISDBHSA-N 1 2 356.813 2.140 20 30 FEEDLO COc1ccc(Cl)cc1NC(=O)[C@H](C)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000329968641 554040842 /nfs/dbraw/zinc/04/08/42/554040842.db2.gz UAKZJZFZEAADKX-PJODQICGSA-N 1 2 353.850 2.340 20 30 FEEDLO COc1ccc(Cl)cc1NC(=O)[C@H](C)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000329968641 554040845 /nfs/dbraw/zinc/04/08/45/554040845.db2.gz UAKZJZFZEAADKX-PJODQICGSA-N 1 2 353.850 2.340 20 30 FEEDLO COc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+]1C[C@@H]2OCCN(C)[C@H]2C1 ZINC000329968641 554040848 /nfs/dbraw/zinc/04/08/48/554040848.db2.gz UAKZJZFZEAADKX-PJODQICGSA-N 1 2 353.850 2.340 20 30 FEEDLO COc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+]1C[C@@H]2OCCN(C)[C@H]2C1 ZINC000329968641 554040851 /nfs/dbraw/zinc/04/08/51/554040851.db2.gz UAKZJZFZEAADKX-PJODQICGSA-N 1 2 353.850 2.340 20 30 FEEDLO O=C(Nc1ccccc1C[NH+]1CCC(O)CC1)[C@@H]1CCCCS1(=O)=O ZINC000330038465 554053203 /nfs/dbraw/zinc/05/32/03/554053203.db2.gz APRVRCGEMQRNOB-KRWDZBQOSA-N 1 2 366.483 2.199 20 30 FEEDLO O=C(N[C@H]1CC(=O)N(c2ccccc2)C1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000330048994 554055024 /nfs/dbraw/zinc/05/50/24/554055024.db2.gz IYXWDGSXWWGQMU-HNNXBMFYSA-N 1 2 353.426 2.309 20 30 FEEDLO O=C(N[C@H]1CC(=O)N(c2ccccc2)C1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000330048994 554055026 /nfs/dbraw/zinc/05/50/26/554055026.db2.gz IYXWDGSXWWGQMU-HNNXBMFYSA-N 1 2 353.426 2.309 20 30 FEEDLO CN1CC[N@H+](C)[C@H](CNC(=O)N[C@H]2CC(C)(C)Oc3cc(F)ccc32)C1 ZINC000330081354 554061361 /nfs/dbraw/zinc/06/13/61/554061361.db2.gz PNOWTDMRDRZPKB-ZBFHGGJFSA-N 1 2 364.465 2.177 20 30 FEEDLO CN1CC[N@@H+](C)[C@H](CNC(=O)N[C@H]2CC(C)(C)Oc3cc(F)ccc32)C1 ZINC000330081354 554061362 /nfs/dbraw/zinc/06/13/62/554061362.db2.gz PNOWTDMRDRZPKB-ZBFHGGJFSA-N 1 2 364.465 2.177 20 30 FEEDLO Cc1ccc(NC(=O)N2CCC[C@@H]2c2nc(C(=O)NC3CC3)no2)c(C)[nH+]1 ZINC000330150695 554074517 /nfs/dbraw/zinc/07/45/17/554074517.db2.gz KXHXVYRERYSQKA-CQSZACIVSA-N 1 2 370.413 2.356 20 30 FEEDLO C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCN([C@@H](C)c2ccc(F)cc2F)CC1 ZINC000507772500 561740220 /nfs/dbraw/zinc/74/02/20/561740220.db2.gz YXDTVSIQFCHAOM-GJZGRUSLSA-N 1 2 364.440 2.404 20 30 FEEDLO Cc1[nH+]ccn1C[C@H](C)C[NH+]=C([O-])N1C[C@H](C)O[C@]2(CCCOC2)C1 ZINC000330276438 554097661 /nfs/dbraw/zinc/09/76/61/554097661.db2.gz MXCQXNRUUKASBS-RVKKMQEKSA-N 1 2 350.463 2.012 20 30 FEEDLO CCN1CCN(C(=O)Nc2cc3c(cc2C)OCO3)C[C@H]1c1[nH]cc[nH+]1 ZINC000330323054 554105057 /nfs/dbraw/zinc/10/50/57/554105057.db2.gz HIGTUMZMMDFNOB-AWEZNQCLSA-N 1 2 357.414 2.371 20 30 FEEDLO N#Cc1ccc(N2CC[NH+](Cc3ccc4c(c3)NC(=O)CO4)CC2)c(F)c1 ZINC000507837095 561742820 /nfs/dbraw/zinc/74/28/20/561742820.db2.gz PMAAZGJJYHXGOX-UHFFFAOYSA-N 1 2 366.396 2.350 20 30 FEEDLO CC(C)NC(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000330325281 554105647 /nfs/dbraw/zinc/10/56/47/554105647.db2.gz JDMVNWUSTAJWIR-YCPHGPKFSA-N 1 2 363.462 2.384 20 30 FEEDLO Cc1noc(C)c1C[C@H](C)NC(=O)N[C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000330338673 554107877 /nfs/dbraw/zinc/10/78/77/554107877.db2.gz VRZYXNFBAKSEFF-FABXCBLPSA-N 1 2 361.446 2.380 20 30 FEEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)c1cc(NC(=O)N(C)C)ccc1Cl ZINC000330399821 554116718 /nfs/dbraw/zinc/11/67/18/554116718.db2.gz IZBTUJVGDUDOSE-GFCCVEGCSA-N 1 2 368.865 2.472 20 30 FEEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)c1cc(NC(=O)N(C)C)ccc1Cl ZINC000330399821 554116720 /nfs/dbraw/zinc/11/67/20/554116720.db2.gz IZBTUJVGDUDOSE-GFCCVEGCSA-N 1 2 368.865 2.472 20 30 FEEDLO COc1cc(C(=O)NC[C@H]2C[N@H+](C)CCO2)cc(Br)c1OC ZINC000330467705 554125745 /nfs/dbraw/zinc/12/57/45/554125745.db2.gz JMGIZGRRYTZDED-NSHDSACASA-N 1 2 373.247 2.102 20 30 FEEDLO COc1cc(C(=O)NC[C@H]2C[N@@H+](C)CCO2)cc(Br)c1OC ZINC000330467705 554125747 /nfs/dbraw/zinc/12/57/47/554125747.db2.gz JMGIZGRRYTZDED-NSHDSACASA-N 1 2 373.247 2.102 20 30 FEEDLO C=CCn1c([C@@H](C)CC)nnc1N1CC[NH+](CC(=O)N[C@@H](C)CC)CC1 ZINC000508825341 561773955 /nfs/dbraw/zinc/77/39/55/561773955.db2.gz JYQZLNGBCVLBLE-HOTGVXAUSA-N 1 2 362.522 2.014 20 30 FEEDLO Cc1cc(S(=O)(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)ccc1C#N ZINC000331311188 554245503 /nfs/dbraw/zinc/24/55/03/554245503.db2.gz ZGZXKPNUTUOANA-GJZGRUSLSA-N 1 2 365.499 2.033 20 30 FEEDLO CO[C@@H]1C[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)C[C@@H]1OC ZINC000331437917 554265151 /nfs/dbraw/zinc/26/51/51/554265151.db2.gz UYCVCLZFCKLWNC-HDICACEKSA-N 1 2 374.485 2.376 20 30 FEEDLO CO[C@@H]1C[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)C[C@@H]1OC ZINC000331437917 554265153 /nfs/dbraw/zinc/26/51/53/554265153.db2.gz UYCVCLZFCKLWNC-HDICACEKSA-N 1 2 374.485 2.376 20 30 FEEDLO CCN1CCN([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C[C@@H]1c1[nH]cc[nH+]1 ZINC000331479490 554271309 /nfs/dbraw/zinc/27/13/09/554271309.db2.gz NVTITEPKIGLRHY-CZUORRHYSA-N 1 2 370.457 2.197 20 30 FEEDLO N#Cc1ccc(N2CC[C@H]([N@@H+]3CCC[C@](O)(C(F)(F)F)C3)C2=O)cc1 ZINC000331676963 554306807 /nfs/dbraw/zinc/30/68/07/554306807.db2.gz OXPRYWOZHUTOTG-GOEBONIOSA-N 1 2 353.344 2.053 20 30 FEEDLO N#Cc1ccc(N2CC[C@H]([N@H+]3CCC[C@](O)(C(F)(F)F)C3)C2=O)cc1 ZINC000331676963 554306808 /nfs/dbraw/zinc/30/68/08/554306808.db2.gz OXPRYWOZHUTOTG-GOEBONIOSA-N 1 2 353.344 2.053 20 30 FEEDLO C[C@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC[S@@]1=O ZINC000331889207 554339739 /nfs/dbraw/zinc/33/97/39/554339739.db2.gz GIFSNQMZYBIKFW-MCFWBGNESA-N 1 2 365.524 2.280 20 30 FEEDLO C[C@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC[S@@]1=O ZINC000331889207 554339744 /nfs/dbraw/zinc/33/97/44/554339744.db2.gz GIFSNQMZYBIKFW-MCFWBGNESA-N 1 2 365.524 2.280 20 30 FEEDLO C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000332071041 554374171 /nfs/dbraw/zinc/37/41/71/554374171.db2.gz VNPCFEGWVUPIKP-DFEOGRTESA-N 1 2 369.513 2.405 20 30 FEEDLO Cc1nc(C#N)c(N2CCC(C(=O)N(C)c3ccc[nH+]c3N(C)C)CC2)o1 ZINC000332331719 554426598 /nfs/dbraw/zinc/42/65/98/554426598.db2.gz STLOLCMVJSFGRP-UHFFFAOYSA-N 1 2 368.441 2.195 20 30 FEEDLO N#Cc1ccc(N2CCC[C@H]([N@H+]3CCOC[C@H]3[C@H]3CCCC3=O)C2=O)cc1 ZINC000333382671 554607976 /nfs/dbraw/zinc/60/79/76/554607976.db2.gz FQZGNIWCUKNAIN-QYZOEREBSA-N 1 2 367.449 2.124 20 30 FEEDLO N#Cc1ccc(N2CCC[C@H]([N@@H+]3CCOC[C@H]3[C@H]3CCCC3=O)C2=O)cc1 ZINC000333382671 554607978 /nfs/dbraw/zinc/60/79/78/554607978.db2.gz FQZGNIWCUKNAIN-QYZOEREBSA-N 1 2 367.449 2.124 20 30 FEEDLO CC1(C)CC[N@@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC[S@@]1=O ZINC000333728216 554637221 /nfs/dbraw/zinc/63/72/21/554637221.db2.gz STLCRGPMLBWOLT-NSYGIPOTSA-N 1 2 359.495 2.287 20 30 FEEDLO CC1(C)CC[N@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC[S@@]1=O ZINC000333728216 554637222 /nfs/dbraw/zinc/63/72/22/554637222.db2.gz STLCRGPMLBWOLT-NSYGIPOTSA-N 1 2 359.495 2.287 20 30 FEEDLO C[C@@H](C(=O)N(C)C[C@H]1COc2ccccc2O1)[NH+]1CCC(F)(C#N)CC1 ZINC000510939074 561851621 /nfs/dbraw/zinc/85/16/21/561851621.db2.gz VZBXFCMBKSTZOI-GJZGRUSLSA-N 1 2 361.417 2.001 20 30 FEEDLO COc1ccc(CN(C)C(=O)[C@H](C)[NH+]2CCC(F)(C#N)CC2)cc1OC ZINC000510972456 561852619 /nfs/dbraw/zinc/85/26/19/561852619.db2.gz XZZYXOXASBQCOM-AWEZNQCLSA-N 1 2 363.433 2.378 20 30 FEEDLO C=CCNC(=O)Cc1noc([C@@H](c2ccccc2)[NH+]2CCSCC2)n1 ZINC000350232983 554771086 /nfs/dbraw/zinc/77/10/86/554771086.db2.gz QSWUKURUUZSOCB-QGZVFWFLSA-N 1 2 358.467 2.053 20 30 FEEDLO C=C(C)COc1cc(C[N@@H+]2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)ccc1OC ZINC000362009638 554944391 /nfs/dbraw/zinc/94/43/91/554944391.db2.gz JDHWBXJLXOBUPI-INIZCTEOSA-N 1 2 373.453 2.118 20 30 FEEDLO C=C(C)COc1cc(C[N@H+]2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)ccc1OC ZINC000362009638 554944392 /nfs/dbraw/zinc/94/43/92/554944392.db2.gz JDHWBXJLXOBUPI-INIZCTEOSA-N 1 2 373.453 2.118 20 30 FEEDLO C[C@H](C#N)Oc1ccc(CNc2cnn(CC[NH+]3CCOCC3)c2)cc1 ZINC000362037884 554945928 /nfs/dbraw/zinc/94/59/28/554945928.db2.gz JQNDDHCRLCKULG-MRXNPFEDSA-N 1 2 355.442 2.118 20 30 FEEDLO COCc1nccc([C@H]2CCC[N@H+](CC(=O)Nc3ccc(C#N)cc3)C2)n1 ZINC000363020003 555011906 /nfs/dbraw/zinc/01/19/06/555011906.db2.gz BWBJQUVSPJJRJF-INIZCTEOSA-N 1 2 365.437 2.313 20 30 FEEDLO COCc1nccc([C@H]2CCC[N@@H+](CC(=O)Nc3ccc(C#N)cc3)C2)n1 ZINC000363020003 555011907 /nfs/dbraw/zinc/01/19/07/555011907.db2.gz BWBJQUVSPJJRJF-INIZCTEOSA-N 1 2 365.437 2.313 20 30 FEEDLO N#Cc1ccc(NC(=O)CC[N@@H+]2CCNC(=O)[C@H]2c2cccs2)cc1 ZINC000363288820 555071735 /nfs/dbraw/zinc/07/17/35/555071735.db2.gz LGYYLQHJDQNLHS-QGZVFWFLSA-N 1 2 354.435 2.121 20 30 FEEDLO N#Cc1ccc(NC(=O)CC[N@H+]2CCNC(=O)[C@H]2c2cccs2)cc1 ZINC000363288820 555071736 /nfs/dbraw/zinc/07/17/36/555071736.db2.gz LGYYLQHJDQNLHS-QGZVFWFLSA-N 1 2 354.435 2.121 20 30 FEEDLO C[C@@H](C(=O)NCC(F)(F)F)[N@@H+]1CCCN(c2ccc(C#N)cc2)CC1 ZINC000363440372 555106195 /nfs/dbraw/zinc/10/61/95/555106195.db2.gz XDINZMYYZPYUBQ-ZDUSSCGKSA-N 1 2 354.376 2.137 20 30 FEEDLO C[C@@H](C(=O)NCC(F)(F)F)[N@H+]1CCCN(c2ccc(C#N)cc2)CC1 ZINC000363440372 555106197 /nfs/dbraw/zinc/10/61/97/555106197.db2.gz XDINZMYYZPYUBQ-ZDUSSCGKSA-N 1 2 354.376 2.137 20 30 FEEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCOC3(CCOCC3)CC2)cc1Cl ZINC000364244837 555277381 /nfs/dbraw/zinc/27/73/81/555277381.db2.gz KVCVYXAETNBSDD-UHFFFAOYSA-N 1 2 363.845 2.422 20 30 FEEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCOC3(CCOCC3)CC2)cc1Cl ZINC000364244837 555277382 /nfs/dbraw/zinc/27/73/82/555277382.db2.gz KVCVYXAETNBSDD-UHFFFAOYSA-N 1 2 363.845 2.422 20 30 FEEDLO N#Cc1ccc2ncc(C[N@H+]3CCC[C@@H](n4cc([N+](=O)[O-])cn4)C3)n2c1 ZINC000364328941 555292388 /nfs/dbraw/zinc/29/23/88/555292388.db2.gz PHIYVNANMSBWCC-CQSZACIVSA-N 1 2 351.370 2.148 20 30 FEEDLO N#Cc1ccc2ncc(C[N@@H+]3CCC[C@@H](n4cc([N+](=O)[O-])cn4)C3)n2c1 ZINC000364328941 555292389 /nfs/dbraw/zinc/29/23/89/555292389.db2.gz PHIYVNANMSBWCC-CQSZACIVSA-N 1 2 351.370 2.148 20 30 FEEDLO CCn1nc2c(cc1=O)C[N@@H+](Cc1cc(C#N)ccc1Br)CC2 ZINC000365325690 555543387 /nfs/dbraw/zinc/54/33/87/555543387.db2.gz SOTVFTKMSYSVOT-UHFFFAOYSA-N 1 2 373.254 2.456 20 30 FEEDLO CCn1nc2c(cc1=O)C[N@H+](Cc1cc(C#N)ccc1Br)CC2 ZINC000365325690 555543390 /nfs/dbraw/zinc/54/33/90/555543390.db2.gz SOTVFTKMSYSVOT-UHFFFAOYSA-N 1 2 373.254 2.456 20 30 FEEDLO CC[C@H]1C[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C[C@]2(CCOC2)O1 ZINC000366579856 555881639 /nfs/dbraw/zinc/88/16/39/555881639.db2.gz XAXNXWIADJJJOR-LPHOPBHVSA-N 1 2 354.410 2.378 20 30 FEEDLO CC[C@H]1C[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C[C@]2(CCOC2)O1 ZINC000366579856 555881640 /nfs/dbraw/zinc/88/16/40/555881640.db2.gz XAXNXWIADJJJOR-LPHOPBHVSA-N 1 2 354.410 2.378 20 30 FEEDLO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000366805133 555938315 /nfs/dbraw/zinc/93/83/15/555938315.db2.gz PZMSKMHWIKPEHQ-GOSISDBHSA-N 1 2 358.467 2.211 20 30 FEEDLO Cc1nn(C)cc1[C@H]1CCC[N@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000366805133 555938318 /nfs/dbraw/zinc/93/83/18/555938318.db2.gz PZMSKMHWIKPEHQ-GOSISDBHSA-N 1 2 358.467 2.211 20 30 FEEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)N2CCc3sccc3[C@H]2CC)C1=O ZINC000366873500 555956753 /nfs/dbraw/zinc/95/67/53/555956753.db2.gz ZVJTUUVPSYQURV-HZPDHXFCSA-N 1 2 361.511 2.303 20 30 FEEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)N2CCc3sccc3[C@H]2CC)C1=O ZINC000366873500 555956755 /nfs/dbraw/zinc/95/67/55/555956755.db2.gz ZVJTUUVPSYQURV-HZPDHXFCSA-N 1 2 361.511 2.303 20 30 FEEDLO Cc1oc(C#N)cc1C(=O)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000515187794 561999797 /nfs/dbraw/zinc/99/97/97/561999797.db2.gz LKBSVKIQOFALGI-UHFFFAOYSA-N 1 2 367.405 2.189 20 30 FEEDLO N#Cc1ccc(Cl)c(C(=O)N2CC[NH+](C3(C(N)=O)CCCCC3)CC2)c1 ZINC000368510178 556331723 /nfs/dbraw/zinc/33/17/23/556331723.db2.gz DKMWDLXHMFEWCE-UHFFFAOYSA-N 1 2 374.872 2.158 20 30 FEEDLO C[C@@H]1CC[N@@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C[C@@H]1C(=O)OC(C)(C)C ZINC000515350497 562006555 /nfs/dbraw/zinc/00/65/55/562006555.db2.gz OIFHAQJRRVJIPO-COXVUDFISA-N 1 2 357.454 2.384 20 30 FEEDLO C[C@@H]1CC[N@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C[C@@H]1C(=O)OC(C)(C)C ZINC000515350497 562006556 /nfs/dbraw/zinc/00/65/56/562006556.db2.gz OIFHAQJRRVJIPO-COXVUDFISA-N 1 2 357.454 2.384 20 30 FEEDLO Cc1noc(C)c1CO[C@H]1CC[N@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000368836416 556425804 /nfs/dbraw/zinc/42/58/04/556425804.db2.gz VWYGQCPOCAXBPF-KRWDZBQOSA-N 1 2 354.410 2.393 20 30 FEEDLO Cc1noc(C)c1CO[C@H]1CC[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000368836416 556425806 /nfs/dbraw/zinc/42/58/06/556425806.db2.gz VWYGQCPOCAXBPF-KRWDZBQOSA-N 1 2 354.410 2.393 20 30 FEEDLO C[C@@H](c1nnnn1C1CCCCC1)[NH+]1CCC(n2cnc(C#N)n2)CC1 ZINC000369383161 556585882 /nfs/dbraw/zinc/58/58/82/556585882.db2.gz INRYRYXBIBEEAI-ZDUSSCGKSA-N 1 2 355.450 2.040 20 30 FEEDLO N#Cc1cccc(CNC(=O)C[N@H+]2Cc3ccccc3[C@@H](n3cccn3)C2)c1 ZINC000369432626 556598995 /nfs/dbraw/zinc/59/89/95/556598995.db2.gz BMZOODUSMYHRBE-NRFANRHFSA-N 1 2 371.444 2.476 20 30 FEEDLO N#Cc1cccc(CNC(=O)C[N@@H+]2Cc3ccccc3[C@@H](n3cccn3)C2)c1 ZINC000369432626 556598997 /nfs/dbraw/zinc/59/89/97/556598997.db2.gz BMZOODUSMYHRBE-NRFANRHFSA-N 1 2 371.444 2.476 20 30 FEEDLO COc1ccc(C#N)cc1C[N@@H+]1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000369514950 556616650 /nfs/dbraw/zinc/61/66/50/556616650.db2.gz FULPJLOYFMSDRG-HRAATJIYSA-N 1 2 358.401 2.412 20 30 FEEDLO COc1ccc(C#N)cc1C[N@H+]1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000369514950 556616652 /nfs/dbraw/zinc/61/66/52/556616652.db2.gz FULPJLOYFMSDRG-HRAATJIYSA-N 1 2 358.401 2.412 20 30 FEEDLO COc1ccc(C[N@@H+]2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)cc1C#N ZINC000369520827 556619119 /nfs/dbraw/zinc/61/91/19/556619119.db2.gz RPISFOQXVITKPW-HRAATJIYSA-N 1 2 358.401 2.412 20 30 FEEDLO COc1ccc(C[N@H+]2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)cc1C#N ZINC000369520827 556619120 /nfs/dbraw/zinc/61/91/20/556619120.db2.gz RPISFOQXVITKPW-HRAATJIYSA-N 1 2 358.401 2.412 20 30 FEEDLO Cn1cc[nH+]c1[C@@H]1CN(C(=O)c2cccc(SCC#N)c2)CCN1C ZINC000369808221 556700719 /nfs/dbraw/zinc/70/07/19/556700719.db2.gz HKTRWHPSZZPREL-INIZCTEOSA-N 1 2 355.467 2.165 20 30 FEEDLO C[C@@H]([NH2+]CC(=O)N(CCC#N)CCC#N)c1nc(-c2ccc(F)cc2)no1 ZINC000369902947 556725566 /nfs/dbraw/zinc/72/55/66/556725566.db2.gz SGBGLNKGTWCQPD-CYBMUJFWSA-N 1 2 370.388 2.182 20 30 FEEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCCC[C@@H]1c1nc(-c2ncccn2)no1 ZINC000370621791 556923439 /nfs/dbraw/zinc/92/34/39/556923439.db2.gz HZAYCQCGJNIWCM-OAHLLOKOSA-N 1 2 370.457 2.478 20 30 FEEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCCC[C@@H]1c1nc(-c2ncccn2)no1 ZINC000370621791 556923443 /nfs/dbraw/zinc/92/34/43/556923443.db2.gz HZAYCQCGJNIWCM-OAHLLOKOSA-N 1 2 370.457 2.478 20 30 FEEDLO N#C[C@H]1CN(C(=O)NCCCCn2cc[nH+]c2)CCN1Cc1ccccc1 ZINC000517990844 562102138 /nfs/dbraw/zinc/10/21/38/562102138.db2.gz BJVHSQSTQBYBHZ-IBGZPJMESA-N 1 2 366.469 2.083 20 30 FEEDLO C[C@H](O)c1cn(C2C[NH+](Cc3cccn3Cc3ccccc3C#N)C2)nn1 ZINC000372463835 557477324 /nfs/dbraw/zinc/47/73/24/557477324.db2.gz NHMRQXNGZOEOIE-HNNXBMFYSA-N 1 2 362.437 2.110 20 30 FEEDLO C=C(C)CN(Cc1ccc(CO)o1)c1cc(N2CCCC[C@H]2CO)[nH+]cn1 ZINC000519564104 562135048 /nfs/dbraw/zinc/13/50/48/562135048.db2.gz RMUFVQVCVPFPTC-INIZCTEOSA-N 1 2 372.469 2.496 20 30 FEEDLO C=C(C)CN(Cc1ccc(CO)o1)c1cc(N2CCCC[C@H]2CO)nc[nH+]1 ZINC000519564104 562135049 /nfs/dbraw/zinc/13/50/49/562135049.db2.gz RMUFVQVCVPFPTC-INIZCTEOSA-N 1 2 372.469 2.496 20 30 FEEDLO CCOC(=O)C1(COC)CC[NH+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000373723997 557745356 /nfs/dbraw/zinc/74/53/56/557745356.db2.gz ATYJMAHBNZFCTO-HNNXBMFYSA-N 1 2 373.453 2.177 20 30 FEEDLO CC(C)NC(=O)C[N@@H+]1CCCN(C(=O)C[C@@H](CC#N)c2ccccc2)CC1 ZINC000373849702 557772811 /nfs/dbraw/zinc/77/28/11/557772811.db2.gz HWDIEGZWQVRJII-LJQANCHMSA-N 1 2 370.497 2.133 20 30 FEEDLO CC(C)NC(=O)C[N@H+]1CCCN(C(=O)C[C@@H](CC#N)c2ccccc2)CC1 ZINC000373849702 557772812 /nfs/dbraw/zinc/77/28/12/557772812.db2.gz HWDIEGZWQVRJII-LJQANCHMSA-N 1 2 370.497 2.133 20 30 FEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+](C)C[C@H]1CCCN1c1cccnn1 ZINC000374208025 557843479 /nfs/dbraw/zinc/84/34/79/557843479.db2.gz KPNGGJGQJLFJKJ-MJGOQNOKSA-N 1 2 365.437 2.163 20 30 FEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@H]1CCCN1c1cccnn1 ZINC000374208025 557843480 /nfs/dbraw/zinc/84/34/80/557843480.db2.gz KPNGGJGQJLFJKJ-MJGOQNOKSA-N 1 2 365.437 2.163 20 30 FEEDLO COc1cccc(OCC[N@@H+]2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)c1 ZINC000374390452 557877418 /nfs/dbraw/zinc/87/74/18/557877418.db2.gz WLMBVWNAIMOFOD-BTYIYWSLSA-N 1 2 363.417 2.419 20 30 FEEDLO COc1cccc(OCC[N@H+]2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)c1 ZINC000374390452 557877419 /nfs/dbraw/zinc/87/74/19/557877419.db2.gz WLMBVWNAIMOFOD-BTYIYWSLSA-N 1 2 363.417 2.419 20 30 FEEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@H](c2nc(N(C)C)no2)C1 ZINC000374566335 557900634 /nfs/dbraw/zinc/90/06/34/557900634.db2.gz OGCRTJUEWPIIDJ-ZFWWWQNUSA-N 1 2 368.441 2.214 20 30 FEEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@H](c2nc(N(C)C)no2)C1 ZINC000374566335 557900635 /nfs/dbraw/zinc/90/06/35/557900635.db2.gz OGCRTJUEWPIIDJ-ZFWWWQNUSA-N 1 2 368.441 2.214 20 30 FEEDLO Cc1ccccc1CNC(=O)[C@H](C)[NH+]1CCN(c2ccc(C#N)nc2)CC1 ZINC000374620390 557907790 /nfs/dbraw/zinc/90/77/90/557907790.db2.gz MLUXXRRHJQLUQW-KRWDZBQOSA-N 1 2 363.465 2.089 20 30 FEEDLO C=CCc1cc(C[NH+]2CC(n3cc(C(C)(C)O)nn3)C2)cc(OC)c1O ZINC000374832834 557937841 /nfs/dbraw/zinc/93/78/41/557937841.db2.gz BBDMZVYAONHNBS-UHFFFAOYSA-N 1 2 358.442 2.005 20 30 FEEDLO CC(C)n1nc2c(cc1=O)C[N@H+]([C@@H](C)C(=O)Nc1cccc(C#N)c1)CC2 ZINC000375884591 558093718 /nfs/dbraw/zinc/09/37/18/558093718.db2.gz VTDNZHFMGUHECO-AWEZNQCLSA-N 1 2 365.437 2.081 20 30 FEEDLO CC(C)n1nc2c(cc1=O)C[N@@H+]([C@@H](C)C(=O)Nc1cccc(C#N)c1)CC2 ZINC000375884591 558093721 /nfs/dbraw/zinc/09/37/21/558093721.db2.gz VTDNZHFMGUHECO-AWEZNQCLSA-N 1 2 365.437 2.081 20 30 FEEDLO C#CCCCCC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000375977356 558108746 /nfs/dbraw/zinc/10/87/46/558108746.db2.gz XRUGCRSRWWGWES-QGZVFWFLSA-N 1 2 363.502 2.334 20 30 FEEDLO CCO[C@H](C)c1noc(C[N@@H+]2CCCN(c3ccncc3C#N)CC2)n1 ZINC000376312174 558156582 /nfs/dbraw/zinc/15/65/82/558156582.db2.gz SAIJHIQNMXJAIQ-CQSZACIVSA-N 1 2 356.430 2.146 20 30 FEEDLO CCO[C@H](C)c1noc(C[N@H+]2CCCN(c3ccncc3C#N)CC2)n1 ZINC000376312174 558156583 /nfs/dbraw/zinc/15/65/83/558156583.db2.gz SAIJHIQNMXJAIQ-CQSZACIVSA-N 1 2 356.430 2.146 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)N2C[C@@H](n3cc[nH+]c3)Cc3ccccc32)o1 ZINC000376354635 558162378 /nfs/dbraw/zinc/16/23/78/558162378.db2.gz USTPYIJHLHLNAH-AWEZNQCLSA-N 1 2 354.391 2.340 20 30 FEEDLO CCN1CCN(c2nc3cc(Cl)ccn3c2C#N)C[C@H]1c1[nH]cc[nH+]1 ZINC000376464863 558176820 /nfs/dbraw/zinc/17/68/20/558176820.db2.gz UXFPLPCWQDUJDK-AWEZNQCLSA-N 1 2 355.833 2.466 20 30 FEEDLO C#CCC(CC#C)C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000376976235 558247147 /nfs/dbraw/zinc/24/71/47/558247147.db2.gz BHTUKFDWXXWIMA-RTBURBONSA-N 1 2 358.869 2.491 20 30 FEEDLO C#CCC(CC#C)C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000376976235 558247149 /nfs/dbraw/zinc/24/71/49/558247149.db2.gz BHTUKFDWXXWIMA-RTBURBONSA-N 1 2 358.869 2.491 20 30 FEEDLO C=CCCCC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000377122312 558271257 /nfs/dbraw/zinc/27/12/57/558271257.db2.gz DUTTZKOEJSOHET-MRXNPFEDSA-N 1 2 351.491 2.496 20 30 FEEDLO N#Cc1ccc(NC(=O)C[N@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(N)=O)cc1Cl ZINC000377169064 558280799 /nfs/dbraw/zinc/28/07/99/558280799.db2.gz SZMIMFKRVGYLRV-LYRGGWFBSA-N 1 2 360.845 2.269 20 30 FEEDLO N#Cc1ccc(NC(=O)C[N@@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(N)=O)cc1Cl ZINC000377169064 558280800 /nfs/dbraw/zinc/28/08/00/558280800.db2.gz SZMIMFKRVGYLRV-LYRGGWFBSA-N 1 2 360.845 2.269 20 30 FEEDLO COc1cc(C#N)ccc1C[N@@H+]1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000378360078 558538682 /nfs/dbraw/zinc/53/86/82/558538682.db2.gz JQRNUAPCTXQESA-KKSFZXQISA-N 1 2 358.401 2.412 20 30 FEEDLO COc1cc(C#N)ccc1C[N@H+]1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000378360078 558538683 /nfs/dbraw/zinc/53/86/83/558538683.db2.gz JQRNUAPCTXQESA-KKSFZXQISA-N 1 2 358.401 2.412 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)NCc2cccc(-n3cc[nH+]c3)c2)c(F)c1 ZINC000523569416 562215397 /nfs/dbraw/zinc/21/53/97/562215397.db2.gz VNXMQZFMOFVQJM-UHFFFAOYSA-N 1 2 356.382 2.362 20 30 FEEDLO COc1cc(C[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)ccc1OC(F)F ZINC000523734088 562218725 /nfs/dbraw/zinc/21/87/25/562218725.db2.gz BRDMJTHGAOAQME-MRXNPFEDSA-N 1 2 361.348 2.484 20 30 FEEDLO C=CCS(=O)(=O)CCNC(=O)[C@H]1CCCC[N@H+]1Cc1cccc(C)c1 ZINC000378636315 558598856 /nfs/dbraw/zinc/59/88/56/558598856.db2.gz WOVGQHNSWYWNQK-GOSISDBHSA-N 1 2 364.511 2.067 20 30 FEEDLO C=CCS(=O)(=O)CCNC(=O)[C@H]1CCCC[N@@H+]1Cc1cccc(C)c1 ZINC000378636315 558598857 /nfs/dbraw/zinc/59/88/57/558598857.db2.gz WOVGQHNSWYWNQK-GOSISDBHSA-N 1 2 364.511 2.067 20 30 FEEDLO CCN(CCC#N)S(=O)(=O)N1CCc2c([nH+]cn2-c2ccc(C)cc2)C1 ZINC000410411886 558755948 /nfs/dbraw/zinc/75/59/48/558755948.db2.gz VUVPBXIJMHJYAG-UHFFFAOYSA-N 1 2 373.482 2.019 20 30 FEEDLO CC[C@H](C)CN(CC)C(=O)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000410904240 558821556 /nfs/dbraw/zinc/82/15/56/558821556.db2.gz MGQOGIHFEIEKLL-KRWDZBQOSA-N 1 2 370.497 2.097 20 30 FEEDLO CC[C@@H](C)CN(CC)C(=O)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000410904241 558821608 /nfs/dbraw/zinc/82/16/08/558821608.db2.gz MGQOGIHFEIEKLL-QGZVFWFLSA-N 1 2 370.497 2.097 20 30 FEEDLO COC(=O)c1cc(C[N@@H+]2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)cs1 ZINC000411398181 558887839 /nfs/dbraw/zinc/88/78/39/558887839.db2.gz BBICOFLPTDEZFV-BFUOFWGJSA-N 1 2 367.430 2.380 20 30 FEEDLO COC(=O)c1cc(C[N@H+]2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)cs1 ZINC000411398181 558887840 /nfs/dbraw/zinc/88/78/40/558887840.db2.gz BBICOFLPTDEZFV-BFUOFWGJSA-N 1 2 367.430 2.380 20 30 FEEDLO C[C@@H]([NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1csnn1 ZINC000412038409 559005520 /nfs/dbraw/zinc/00/55/20/559005520.db2.gz KTALULLYLBDKJL-LLVKDONJSA-N 1 2 368.384 2.375 20 30 FEEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+](C)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000526055913 562265463 /nfs/dbraw/zinc/26/54/63/562265463.db2.gz IFAWEQOHFBWIRC-XJKSGUPXSA-N 1 2 374.872 2.328 20 30 FEEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000526055913 562265464 /nfs/dbraw/zinc/26/54/64/562265464.db2.gz IFAWEQOHFBWIRC-XJKSGUPXSA-N 1 2 374.872 2.328 20 30 FEEDLO COc1ccc(-n2ccnc2SC[C@@H](O)C[N@H+](C)CCC#N)c(C)c1 ZINC000414156366 559151091 /nfs/dbraw/zinc/15/10/91/559151091.db2.gz WIJSQAOEDLZANO-HNNXBMFYSA-N 1 2 360.483 2.488 20 30 FEEDLO COc1ccc(-n2ccnc2SC[C@@H](O)C[N@@H+](C)CCC#N)c(C)c1 ZINC000414156366 559151093 /nfs/dbraw/zinc/15/10/93/559151093.db2.gz WIJSQAOEDLZANO-HNNXBMFYSA-N 1 2 360.483 2.488 20 30 FEEDLO Cc1nsc(N2CC[NH+](Cc3ccccc3C(=O)N(C)C)CC2)c1C#N ZINC000418084780 559389668 /nfs/dbraw/zinc/38/96/68/559389668.db2.gz WIEDWEPTHMOALT-UHFFFAOYSA-N 1 2 369.494 2.347 20 30 FEEDLO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](c1ccco1)c1ccc(OC)cc1 ZINC000419277898 559435051 /nfs/dbraw/zinc/43/50/51/559435051.db2.gz GYJLCVFPYIYRSW-DYVFJYSZSA-N 1 2 357.410 2.368 20 30 FEEDLO CC(=O)N[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2S[C@H](C)CC#N)C1 ZINC000420947008 559513495 /nfs/dbraw/zinc/51/34/95/559513495.db2.gz CJFMNULJMCXWKB-UKRRQHHQSA-N 1 2 360.483 2.230 20 30 FEEDLO CC(=O)N[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2S[C@H](C)CC#N)C1 ZINC000420947008 559513496 /nfs/dbraw/zinc/51/34/96/559513496.db2.gz CJFMNULJMCXWKB-UKRRQHHQSA-N 1 2 360.483 2.230 20 30 FEEDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)C(=O)NCC(C)(C)CC#N)CC1 ZINC000422473121 559590534 /nfs/dbraw/zinc/59/05/34/559590534.db2.gz BCFMYJGSGRYHRY-AWEZNQCLSA-N 1 2 362.499 2.009 20 30 FEEDLO C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000425382736 559699007 /nfs/dbraw/zinc/69/90/07/559699007.db2.gz JFVQAFQDFCSQRA-CQSZACIVSA-N 1 2 365.437 2.207 20 30 FEEDLO C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000425382736 559699008 /nfs/dbraw/zinc/69/90/08/559699008.db2.gz JFVQAFQDFCSQRA-CQSZACIVSA-N 1 2 365.437 2.207 20 30 FEEDLO COC(=O)c1conc1C(C)(C)[NH2+]CCOc1ccc(C#N)cc1OC ZINC000425577861 559710524 /nfs/dbraw/zinc/71/05/24/559710524.db2.gz YGGOBCPCGOYHJO-UHFFFAOYSA-N 1 2 359.382 2.245 20 30 FEEDLO C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)NCCCNc1cccc[nH+]1 ZINC000425870314 559723395 /nfs/dbraw/zinc/72/33/95/559723395.db2.gz LEUYFJHBAPPLPG-OAHLLOKOSA-N 1 2 365.437 2.091 20 30 FEEDLO Cn1ncc(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c1C(F)(F)F ZINC000428791395 559783608 /nfs/dbraw/zinc/78/36/08/559783608.db2.gz SPRUKULKEVLXPC-ZDUSSCGKSA-N 1 2 351.332 2.359 20 30 FEEDLO Cn1ncc(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c1C(F)(F)F ZINC000428791395 559783609 /nfs/dbraw/zinc/78/36/09/559783609.db2.gz SPRUKULKEVLXPC-ZDUSSCGKSA-N 1 2 351.332 2.359 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@H](C)c1ncc(Br)cn1 ZINC000432993160 559869458 /nfs/dbraw/zinc/86/94/58/559869458.db2.gz QJUAKLPGWCVFGY-ZETOZRRWSA-N 1 2 368.279 2.333 20 30 FEEDLO CCN1CCN(C(=O)C(C)(C)Oc2ccc(C#N)cc2)C[C@H]1c1[nH]cc[nH+]1 ZINC000433105750 559871917 /nfs/dbraw/zinc/87/19/17/559871917.db2.gz PGPMNGVKECSDGR-KRWDZBQOSA-N 1 2 367.453 2.344 20 30 FEEDLO CC(C)OC[C@H](CO)[N@H+](C)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000433247186 559874821 /nfs/dbraw/zinc/87/48/21/559874821.db2.gz NSBMROGDVNEPBY-KRWDZBQOSA-N 1 2 367.877 2.304 20 30 FEEDLO CC(C)OC[C@H](CO)[N@@H+](C)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000433247186 559874822 /nfs/dbraw/zinc/87/48/22/559874822.db2.gz NSBMROGDVNEPBY-KRWDZBQOSA-N 1 2 367.877 2.304 20 30 FEEDLO CC[N@H+](Cc1cn(C)nn1)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000434987696 559913912 /nfs/dbraw/zinc/91/39/12/559913912.db2.gz ORPFHYFZFNUVAS-UHFFFAOYSA-N 1 2 350.430 2.009 20 30 FEEDLO CC[N@@H+](Cc1cn(C)nn1)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000434987696 559913913 /nfs/dbraw/zinc/91/39/13/559913913.db2.gz ORPFHYFZFNUVAS-UHFFFAOYSA-N 1 2 350.430 2.009 20 30 FEEDLO N#Cc1ccc(CS(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)c(F)c1 ZINC000440064847 560004145 /nfs/dbraw/zinc/00/41/45/560004145.db2.gz TVPXKJUBTYTFHM-UHFFFAOYSA-N 1 2 373.453 2.345 20 30 FEEDLO C=CC[C@@H](CC)NC(=O)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000440265022 560007639 /nfs/dbraw/zinc/00/76/39/560007639.db2.gz AHCRMDMOGGAOSK-DOTOQJQBSA-N 1 2 359.470 2.489 20 30 FEEDLO C=CC[C@H](CC)NC(=O)C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000440265027 560007719 /nfs/dbraw/zinc/00/77/19/560007719.db2.gz AHCRMDMOGGAOSK-WBVHZDCISA-N 1 2 359.470 2.489 20 30 FEEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000440922656 560019632 /nfs/dbraw/zinc/01/96/32/560019632.db2.gz ZIJFCPFPIWFFHB-GDBMZVCRSA-N 1 2 355.438 2.318 20 30 FEEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000440922656 560019633 /nfs/dbraw/zinc/01/96/33/560019633.db2.gz ZIJFCPFPIWFFHB-GDBMZVCRSA-N 1 2 355.438 2.318 20 30 FEEDLO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(Cl)cc1C#N)c1ccco1 ZINC000443106667 560070988 /nfs/dbraw/zinc/07/09/88/560070988.db2.gz WOQKEMJZIWRXOA-CYBMUJFWSA-N 1 2 353.831 2.386 20 30 FEEDLO Cc1cccc(S(=O)(=O)NCCNc2ccc3ccccc3[nH+]2)c1C#N ZINC000443134256 560072293 /nfs/dbraw/zinc/07/22/93/560072293.db2.gz PCNMSLIBWJYUGG-UHFFFAOYSA-N 1 2 366.446 2.805 20 30 FEEDLO COC(=O)[C@@H]1C[C@@H](C)CC[N@@H+]1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000447876659 560171918 /nfs/dbraw/zinc/17/19/18/560171918.db2.gz ATOXUHNXLIAMDC-WBAXXEDZSA-N 1 2 355.438 2.327 20 30 FEEDLO COC(=O)[C@@H]1C[C@@H](C)CC[N@H+]1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000447876659 560171919 /nfs/dbraw/zinc/17/19/19/560171919.db2.gz ATOXUHNXLIAMDC-WBAXXEDZSA-N 1 2 355.438 2.327 20 30 FEEDLO Cc1[nH]c(C#N)cc1C(=O)NC[C@@H](c1cccs1)[N@H+]1CCO[C@@H](C)C1 ZINC000450040398 560248896 /nfs/dbraw/zinc/24/88/96/560248896.db2.gz HNUVRWKMXULANN-LRDDRELGSA-N 1 2 358.467 2.448 20 30 FEEDLO Cc1[nH]c(C#N)cc1C(=O)NC[C@@H](c1cccs1)[N@@H+]1CCO[C@@H](C)C1 ZINC000450040398 560248897 /nfs/dbraw/zinc/24/88/97/560248897.db2.gz HNUVRWKMXULANN-LRDDRELGSA-N 1 2 358.467 2.448 20 30 FEEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2C[C@@H](C)C[C@H](O)C2)c1C#N ZINC000452069882 560349440 /nfs/dbraw/zinc/34/94/40/560349440.db2.gz QNRGQOOCCZJFSA-BBRMVZONSA-N 1 2 370.453 2.259 20 30 FEEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2C[C@@H](C)C[C@H](O)C2)c1C#N ZINC000452069882 560349441 /nfs/dbraw/zinc/34/94/41/560349441.db2.gz QNRGQOOCCZJFSA-BBRMVZONSA-N 1 2 370.453 2.259 20 30 FEEDLO C=CCNC(=O)NC1CC[NH+]([C@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000455402843 560480981 /nfs/dbraw/zinc/48/09/81/560480981.db2.gz ITCRTJNQTAZFBB-CQSZACIVSA-N 1 2 365.499 2.101 20 30 FEEDLO Cc1cc(C)c(NC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)c(C)[nH+]1 ZINC000455484398 560484043 /nfs/dbraw/zinc/48/40/43/560484043.db2.gz JHVWJMGTUHDBOS-AWEZNQCLSA-N 1 2 365.441 2.411 20 30 FEEDLO CO[C@@H]([C@@H](C)NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CC1 ZINC000455525105 560485644 /nfs/dbraw/zinc/48/56/44/560485644.db2.gz OYKOLEFQXIINKW-BEFAXECRSA-N 1 2 356.470 2.199 20 30 FEEDLO CO[C@H]([C@@H](C)NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CC1 ZINC000455525106 560485654 /nfs/dbraw/zinc/48/56/54/560485654.db2.gz OYKOLEFQXIINKW-DNVCBOLYSA-N 1 2 356.470 2.199 20 30 FEEDLO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1nc(C[NH+](C)C)cs1 ZINC000457302851 560561388 /nfs/dbraw/zinc/56/13/88/560561388.db2.gz ZCWGLBGOKMIEPL-UHFFFAOYSA-N 1 2 359.455 2.365 20 30 FEEDLO Cc1cc(C(=O)N2CC[C@@H](Oc3ccc[nH+]c3N(C)C)C2)ncc1C#N ZINC000457727305 560584329 /nfs/dbraw/zinc/58/43/29/560584329.db2.gz CQYIKATXURDQPZ-OAHLLOKOSA-N 1 2 351.410 2.016 20 30 FEEDLO CCOC1CC(CNC(=O)[C@H](C)c2cccc(C#N)c2)([NH+]2CCOCC2)C1 ZINC000462332177 560806285 /nfs/dbraw/zinc/80/62/85/560806285.db2.gz MAMHFCNIDDDXKP-YLZJTPGZSA-N 1 2 371.481 2.048 20 30 FEEDLO C[C@@H](CNS(=O)(=O)c1c(F)cc(C#N)cc1F)[N@@H+]1CCCC[C@@H]1C ZINC000467156776 560905160 /nfs/dbraw/zinc/90/51/60/560905160.db2.gz CFXFSSRZIOTLPE-RYUDHWBXSA-N 1 2 357.426 2.378 20 30 FEEDLO C[C@@H](CNS(=O)(=O)c1c(F)cc(C#N)cc1F)[N@H+]1CCCC[C@@H]1C ZINC000467156776 560905161 /nfs/dbraw/zinc/90/51/61/560905161.db2.gz CFXFSSRZIOTLPE-RYUDHWBXSA-N 1 2 357.426 2.378 20 30 FEEDLO C[NH+](C)Cc1nc(C2(NC(=O)c3ccc(C#N)nc3)CCCCCC2)no1 ZINC000467180933 560905778 /nfs/dbraw/zinc/90/57/78/560905778.db2.gz LDAFLESREQQFMH-UHFFFAOYSA-N 1 2 368.441 2.377 20 30 FEEDLO C[C@H](c1cccc(F)c1)[NH+]1CCN([C@@H](C)C(=O)NC2(C#N)CCC2)CC1 ZINC000469721102 560962725 /nfs/dbraw/zinc/96/27/25/560962725.db2.gz RZMIDPJIOGIMPY-CVEARBPZSA-N 1 2 358.461 2.455 20 30 FEEDLO CC[C@@H]1C[N@H+](CCNC(=O)[C@H](Oc2ccccc2C#N)C(C)C)CCO1 ZINC000470444419 560982260 /nfs/dbraw/zinc/98/22/60/560982260.db2.gz DTJYWBGPJZLMCX-IEBWSBKVSA-N 1 2 359.470 2.189 20 30 FEEDLO CC[C@@H]1C[N@@H+](CCNC(=O)[C@H](Oc2ccccc2C#N)C(C)C)CCO1 ZINC000470444419 560982261 /nfs/dbraw/zinc/98/22/61/560982261.db2.gz DTJYWBGPJZLMCX-IEBWSBKVSA-N 1 2 359.470 2.189 20 30 FEEDLO N#CCC[N@H+](CCN1CCOCC1)C[C@H](O)Cc1ccc2ccccc2c1 ZINC000470763094 560989203 /nfs/dbraw/zinc/98/92/03/560989203.db2.gz AHYRNDCXCFRFNS-JOCHJYFZSA-N 1 2 367.493 2.291 20 30 FEEDLO N#CCC[N@@H+](CCN1CCOCC1)C[C@H](O)Cc1ccc2ccccc2c1 ZINC000470763094 560989204 /nfs/dbraw/zinc/98/92/04/560989204.db2.gz AHYRNDCXCFRFNS-JOCHJYFZSA-N 1 2 367.493 2.291 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C[C@H](O)Cc1ccc2ccccc2c1 ZINC000470763094 560989205 /nfs/dbraw/zinc/98/92/05/560989205.db2.gz AHYRNDCXCFRFNS-JOCHJYFZSA-N 1 2 367.493 2.291 20 30 FEEDLO C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCN(c2ccc3ccccc3n2)CC1 ZINC000471203211 561000329 /nfs/dbraw/zinc/00/03/29/561000329.db2.gz KKBVOXLLIORCBL-INIZCTEOSA-N 1 2 351.454 2.117 20 30 FEEDLO Cc1nn(C)c(N2CC[NH+]([C@H](C)c3cccc([N+](=O)[O-])c3)CC2)c1C#N ZINC000472161269 561019832 /nfs/dbraw/zinc/01/98/32/561019832.db2.gz WMSJUJLSFUKGHU-CQSZACIVSA-N 1 2 354.414 2.392 20 30 FEEDLO Cc1nn(C)c(N2CC[NH+](CC#Cc3ccc(Cl)cc3)CC2)c1C#N ZINC000472157769 561019892 /nfs/dbraw/zinc/01/98/92/561019892.db2.gz OLMHBBPUXSOVAP-UHFFFAOYSA-N 1 2 353.857 2.427 20 30 FEEDLO C=CCCCCNC(=O)N1CC[NH+](CC(=O)N2CCCC[C@H]2C)CC1 ZINC000472852486 561036350 /nfs/dbraw/zinc/03/63/50/561036350.db2.gz MRFQSTANUQFABW-QGZVFWFLSA-N 1 2 350.507 2.071 20 30 FEEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+]2C[C@H](O)C[C@@H]2C)c1C#N ZINC000530360834 562408269 /nfs/dbraw/zinc/40/82/69/562408269.db2.gz UHGWZMVHHPBLGU-KBXCAEBGSA-N 1 2 366.465 2.419 20 30 FEEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+]2C[C@H](O)C[C@@H]2C)c1C#N ZINC000530360834 562408270 /nfs/dbraw/zinc/40/82/70/562408270.db2.gz UHGWZMVHHPBLGU-KBXCAEBGSA-N 1 2 366.465 2.419 20 30 FEEDLO N#CCC[C@H](NC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1)c1ccccc1 ZINC000533510822 562511195 /nfs/dbraw/zinc/51/11/95/562511195.db2.gz IDHLOTZKPSZVRV-KRWDZBQOSA-N 1 2 352.442 2.282 20 30 FEEDLO C[N@H+]1Cc2ccccc2[C@H](NS(=O)(=O)Cc2cc(C#N)ccc2F)C1 ZINC000534305008 562530674 /nfs/dbraw/zinc/53/06/74/562530674.db2.gz IQFCLYSDJXGZJU-GOSISDBHSA-N 1 2 359.426 2.303 20 30 FEEDLO C[N@@H+]1Cc2ccccc2[C@H](NS(=O)(=O)Cc2cc(C#N)ccc2F)C1 ZINC000534305008 562530675 /nfs/dbraw/zinc/53/06/75/562530675.db2.gz IQFCLYSDJXGZJU-GOSISDBHSA-N 1 2 359.426 2.303 20 30 FEEDLO CSc1[nH]c(=O)c(C(=O)N[C@@H]2C[N@H+](C)C[C@@H]2c2ccccc2)cc1C#N ZINC000540901624 562596058 /nfs/dbraw/zinc/59/60/58/562596058.db2.gz NSQVIEGTBTZYQG-HZPDHXFCSA-N 1 2 368.462 2.208 20 30 FEEDLO CSc1[nH]c(=O)c(C(=O)N[C@@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)cc1C#N ZINC000540901624 562596059 /nfs/dbraw/zinc/59/60/59/562596059.db2.gz NSQVIEGTBTZYQG-HZPDHXFCSA-N 1 2 368.462 2.208 20 30 FEEDLO CC(C)Cn1cc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cn1 ZINC000541012493 562600237 /nfs/dbraw/zinc/60/02/37/562600237.db2.gz JSUQAIRADBEFPV-UHFFFAOYSA-N 1 2 351.454 2.369 20 30 FEEDLO Cc1cc(Br)cn2cc(CNC(=O)NC[C@H](C)C#N)[nH+]c12 ZINC000546143235 562634214 /nfs/dbraw/zinc/63/42/14/562634214.db2.gz RMNMBWVLNYNKAN-SECBINFHSA-N 1 2 350.220 2.364 20 30 FEEDLO CC[N@H+](CC(=O)N1CCN(C2CC2)[C@@H](C#N)C1)Cc1ccccc1Cl ZINC000806842121 674392240 /nfs/dbraw/zinc/39/22/40/674392240.db2.gz FKFUJORCZSDJEK-KRWDZBQOSA-N 1 2 360.889 2.361 20 30 FEEDLO CC[N@@H+](CC(=O)N1CCN(C2CC2)[C@@H](C#N)C1)Cc1ccccc1Cl ZINC000806842121 674392242 /nfs/dbraw/zinc/39/22/42/674392242.db2.gz FKFUJORCZSDJEK-KRWDZBQOSA-N 1 2 360.889 2.361 20 30 FEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21 ZINC000602331555 567969212 /nfs/dbraw/zinc/96/92/12/567969212.db2.gz FONSCTMKORXEPO-JWDQPFGJSA-N 1 2 362.271 2.295 20 30 FEEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602858992 568003050 /nfs/dbraw/zinc/00/30/50/568003050.db2.gz DMLQGYSFQCLHAW-VIYSVWJJSA-N 1 2 359.518 2.224 20 30 FEEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)c1C ZINC000602859198 568003187 /nfs/dbraw/zinc/00/31/87/568003187.db2.gz XFXYYAZGGHUDRI-HDICACEKSA-N 1 2 367.497 2.468 20 30 FEEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)c1C ZINC000602859198 568003188 /nfs/dbraw/zinc/00/31/88/568003188.db2.gz XFXYYAZGGHUDRI-HDICACEKSA-N 1 2 367.497 2.468 20 30 FEEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+](C)Cc1c[nH]nc1C ZINC000602938367 568021175 /nfs/dbraw/zinc/02/11/75/568021175.db2.gz PLERAIAMUOWLCD-OAHLLOKOSA-N 1 2 355.442 2.494 20 30 FEEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)Cc1c[nH]nc1C ZINC000602938367 568021177 /nfs/dbraw/zinc/02/11/77/568021177.db2.gz PLERAIAMUOWLCD-OAHLLOKOSA-N 1 2 355.442 2.494 20 30 FEEDLO Cc1cc(Br)cn2c(CN3CCN(CCC#N)CC3)c[nH+]c12 ZINC000602747860 568022367 /nfs/dbraw/zinc/02/23/67/568022367.db2.gz GUHIWPFITLVEJI-UHFFFAOYSA-N 1 2 362.275 2.437 20 30 FEEDLO C[N@H+](CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)[C@H]1CCC[C@H]1C#N ZINC000602973891 568035145 /nfs/dbraw/zinc/03/51/45/568035145.db2.gz HDWKTVFCACXAKA-HKUYNNGSSA-N 1 2 368.481 2.488 20 30 FEEDLO C[N@@H+](CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)[C@H]1CCC[C@H]1C#N ZINC000602973891 568035147 /nfs/dbraw/zinc/03/51/47/568035147.db2.gz HDWKTVFCACXAKA-HKUYNNGSSA-N 1 2 368.481 2.488 20 30 FEEDLO COc1cc2c(cc1OC)CN(C(=O)C[N@H+](C)[C@H]1CCC[C@H]1C#N)CC2 ZINC000602974843 568035300 /nfs/dbraw/zinc/03/53/00/568035300.db2.gz VAYAAUMXDKYGNC-RDJZCZTQSA-N 1 2 357.454 2.213 20 30 FEEDLO COc1cc2c(cc1OC)CN(C(=O)C[N@@H+](C)[C@H]1CCC[C@H]1C#N)CC2 ZINC000602974843 568035301 /nfs/dbraw/zinc/03/53/01/568035301.db2.gz VAYAAUMXDKYGNC-RDJZCZTQSA-N 1 2 357.454 2.213 20 30 FEEDLO COc1cc2c(cc1OC)CN(C(=O)C[N@H+](C)[C@H]1CCC[C@@H]1C#N)CC2 ZINC000602974844 568035314 /nfs/dbraw/zinc/03/53/14/568035314.db2.gz VAYAAUMXDKYGNC-WBVHZDCISA-N 1 2 357.454 2.213 20 30 FEEDLO COc1cc2c(cc1OC)CN(C(=O)C[N@@H+](C)[C@H]1CCC[C@@H]1C#N)CC2 ZINC000602974844 568035316 /nfs/dbraw/zinc/03/53/16/568035316.db2.gz VAYAAUMXDKYGNC-WBVHZDCISA-N 1 2 357.454 2.213 20 30 FEEDLO C[C@@H]1CCCN(C(=O)C2CCN(C(=O)C[N@H+](C)[C@H]3CCC[C@@H]3C#N)CC2)C1 ZINC000602976239 568035954 /nfs/dbraw/zinc/03/59/54/568035954.db2.gz NBXNOCSONOLFRE-QRQLOZEOSA-N 1 2 374.529 2.108 20 30 FEEDLO C[C@@H]1CCCN(C(=O)C2CCN(C(=O)C[N@@H+](C)[C@H]3CCC[C@@H]3C#N)CC2)C1 ZINC000602976239 568035955 /nfs/dbraw/zinc/03/59/55/568035955.db2.gz NBXNOCSONOLFRE-QRQLOZEOSA-N 1 2 374.529 2.108 20 30 FEEDLO COc1ccc(NC(=O)C[NH+]2C[C@@H](C)N(CC#N)[C@H](C)C2)cc1Cl ZINC000602860945 568049448 /nfs/dbraw/zinc/04/94/48/568049448.db2.gz JVXYHUWLHHQHDA-CHWSQXEVSA-N 1 2 350.850 2.205 20 30 FEEDLO COc1ccccc1[C@H](C)NC(=O)[C@@H](C)[NH+]1CCN([C@@H](C#N)C(C)C)CC1 ZINC000609484789 568344973 /nfs/dbraw/zinc/34/49/73/568344973.db2.gz FVJMMRSGGWSEOZ-SCTDSRPQSA-N 1 2 372.513 2.427 20 30 FEEDLO N#CCC[C@H](C#N)C[NH+]1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737684979 598789308 /nfs/dbraw/zinc/78/93/08/598789308.db2.gz RNRNWXIMLIKKND-CQSZACIVSA-N 1 2 351.414 2.153 20 30 FEEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC000822801172 607388280 /nfs/dbraw/zinc/38/82/80/607388280.db2.gz FYGFYNZMYXOECM-INIZCTEOSA-N 1 2 365.466 2.311 20 30 FEEDLO CN(CCO)c1ccc(C=[NH+]Nc2ccc(-c3nn[nH]n3)c(Cl)c2)cc1 ZINC000825941625 609473444 /nfs/dbraw/zinc/47/34/44/609473444.db2.gz MJFLIWCZAGFKBB-UHFFFAOYSA-N 1 2 371.832 2.395 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000562589247 674773197 /nfs/dbraw/zinc/77/31/97/674773197.db2.gz WJKMWWFXECLUGX-WCXIOVBPSA-N 1 2 351.397 2.353 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000562589247 674773201 /nfs/dbraw/zinc/77/32/01/674773201.db2.gz WJKMWWFXECLUGX-WCXIOVBPSA-N 1 2 351.397 2.353 20 30 FEEDLO CCC1(CC)[C@H]([N@H+](C)CCS(=O)(=O)c2ccc(C#N)cn2)C[C@@H]1OC ZINC000564149006 674978460 /nfs/dbraw/zinc/97/84/60/674978460.db2.gz YAOKMBBWVUXEFG-CVEARBPZSA-N 1 2 365.499 2.252 20 30 FEEDLO CCC1(CC)[C@H]([N@@H+](C)CCS(=O)(=O)c2ccc(C#N)cn2)C[C@@H]1OC ZINC000564149006 674978464 /nfs/dbraw/zinc/97/84/64/674978464.db2.gz YAOKMBBWVUXEFG-CVEARBPZSA-N 1 2 365.499 2.252 20 30 FEEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[NH+]1CCC2(CC1)OCCO2 ZINC000026937958 670075596 /nfs/dbraw/zinc/07/55/96/670075596.db2.gz FWOAQYBEYAAFJY-GFCCVEGCSA-N 1 2 361.467 2.274 20 30 FEEDLO C#CC[NH+]1CCN(Cn2nc(-c3ccccc3OCC)oc2=S)CC1 ZINC000044756614 670194816 /nfs/dbraw/zinc/19/48/16/670194816.db2.gz XDOHFOVCHGPUJE-UHFFFAOYSA-N 1 2 358.467 2.480 20 30 FEEDLO C[N@H+](CCC#N)C[C@H](O)CNc1ccc(NC[C@@H]2CCCO2)c(F)c1 ZINC000570082296 670657863 /nfs/dbraw/zinc/65/78/63/670657863.db2.gz IAEPSWHJQBIQDU-CVEARBPZSA-N 1 2 350.438 2.035 20 30 FEEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1ccc(NC[C@@H]2CCCO2)c(F)c1 ZINC000570082296 670657867 /nfs/dbraw/zinc/65/78/67/670657867.db2.gz IAEPSWHJQBIQDU-CVEARBPZSA-N 1 2 350.438 2.035 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000106867883 670815224 /nfs/dbraw/zinc/81/52/24/670815224.db2.gz SWIFFXQZWQORQG-GLJUWKHASA-N 1 2 352.479 2.028 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000106867883 670815230 /nfs/dbraw/zinc/81/52/30/670815230.db2.gz SWIFFXQZWQORQG-GLJUWKHASA-N 1 2 352.479 2.028 20 30 FEEDLO C[C@@H](CNS(=O)(=O)CCC(C)(C)C#N)[N@@H+]1CCc2sccc2C1 ZINC000572168254 670969411 /nfs/dbraw/zinc/96/94/11/670969411.db2.gz NRRFHJWNMGWJFC-ZDUSSCGKSA-N 1 2 355.529 2.354 20 30 FEEDLO C[C@@H](CNS(=O)(=O)CCC(C)(C)C#N)[N@H+]1CCc2sccc2C1 ZINC000572168254 670969414 /nfs/dbraw/zinc/96/94/14/670969414.db2.gz NRRFHJWNMGWJFC-ZDUSSCGKSA-N 1 2 355.529 2.354 20 30 FEEDLO CC(C)(CNC(=O)CSc1ccc(C#N)cc1F)[NH+]1CCOCC1 ZINC000610218972 675959826 /nfs/dbraw/zinc/95/98/26/675959826.db2.gz MFCXXYJDABJMLC-UHFFFAOYSA-N 1 2 351.447 2.016 20 30 FEEDLO N#Cc1cc(NC(=O)C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)ccc1Cl ZINC000610533772 675978533 /nfs/dbraw/zinc/97/85/33/675978533.db2.gz NIYSKQUKAWPCOA-CQSZACIVSA-N 1 2 357.801 2.210 20 30 FEEDLO Cc1nsc(N2CCN(C(=O)Nc3cc(C)[nH+]cc3C)CC2)c1C#N ZINC000584439827 672187857 /nfs/dbraw/zinc/18/78/57/672187857.db2.gz OCHSMZVMVGOOHC-UHFFFAOYSA-N 1 2 356.455 2.111 20 30 FEEDLO CCCCCCCC[NH+]1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 ZINC000157576909 672260247 /nfs/dbraw/zinc/26/02/47/672260247.db2.gz DAGUUINWFBZIFR-UHFFFAOYSA-N 1 2 371.503 2.045 20 30 FEEDLO CS(=O)(=O)N[C@@H]1CCC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000177255363 672381381 /nfs/dbraw/zinc/38/13/81/672381381.db2.gz QRVYEXUWGUKUDV-OAHLLOKOSA-N 1 2 360.401 2.071 20 30 FEEDLO CS(=O)(=O)N[C@@H]1CCC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000177255363 672381382 /nfs/dbraw/zinc/38/13/82/672381382.db2.gz QRVYEXUWGUKUDV-OAHLLOKOSA-N 1 2 360.401 2.071 20 30 FEEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCc1ccc(C#N)c(Cl)c1 ZINC000588192299 672456590 /nfs/dbraw/zinc/45/65/90/672456590.db2.gz BXTLZSRJXSIHKW-XJKSGUPXSA-N 1 2 362.861 2.216 20 30 FEEDLO C=CC[C@H](C)[C@@H](C)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)[nH+]c1 ZINC000679149810 672469356 /nfs/dbraw/zinc/46/93/56/672469356.db2.gz ULWOSENUWYQCIR-LSDHHAIUSA-N 1 2 352.504 2.176 20 30 FEEDLO Cc1csc(=O)n1CC[NH+]1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000611552815 676043902 /nfs/dbraw/zinc/04/39/02/676043902.db2.gz MCYYRNLGVRSAEF-KRWDZBQOSA-N 1 2 360.458 2.240 20 30 FEEDLO O=C(CN1CC[C@@H]([NH+]2CCOCC2)C1)Nc1nc2c(s1)CCCC2 ZINC000329673386 673081599 /nfs/dbraw/zinc/08/15/99/673081599.db2.gz SUIATYYTWBGFDJ-CYBMUJFWSA-N 1 2 350.488 2.016 20 30 FEEDLO CN(CCC#N)C(=O)CC[N@@H+]1CCC[C@@H]1c1nccc(C(F)(F)F)n1 ZINC000595712595 673284958 /nfs/dbraw/zinc/28/49/58/673284958.db2.gz NMWUUYPAWDZCDK-GFCCVEGCSA-N 1 2 355.364 2.394 20 30 FEEDLO CN(CCC#N)C(=O)CC[N@H+]1CCC[C@@H]1c1nccc(C(F)(F)F)n1 ZINC000595712595 673284962 /nfs/dbraw/zinc/28/49/62/673284962.db2.gz NMWUUYPAWDZCDK-GFCCVEGCSA-N 1 2 355.364 2.394 20 30 FEEDLO N#CCCN(CCC#N)C(=O)C[NH2+][C@@H](CO)c1cccc(Cl)c1Cl ZINC000595830407 673328578 /nfs/dbraw/zinc/32/85/78/673328578.db2.gz UVKWNLYZPZVKOB-AWEZNQCLSA-N 1 2 369.252 2.272 20 30 FEEDLO C[C@@H]1C[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)C[C@@H](CC(F)(F)F)O1 ZINC000595891318 673335554 /nfs/dbraw/zinc/33/55/54/673335554.db2.gz POVHJDJSVTZYKO-XNRPHZJLSA-N 1 2 358.360 2.340 20 30 FEEDLO C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)C[C@@H](CC(F)(F)F)O1 ZINC000595891318 673335560 /nfs/dbraw/zinc/33/55/60/673335560.db2.gz POVHJDJSVTZYKO-XNRPHZJLSA-N 1 2 358.360 2.340 20 30 FEEDLO N#Cc1cc2cccnc2nc1NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000596088309 673357551 /nfs/dbraw/zinc/35/75/51/673357551.db2.gz KMOLSEYFCDKQPI-SFHVURJKSA-N 1 2 355.467 2.121 20 30 FEEDLO C=CCOCC(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000544713011 673728289 /nfs/dbraw/zinc/72/82/89/673728289.db2.gz DDACQWILZNCFPV-UHFFFAOYSA-N 1 2 352.232 2.267 20 30 FEEDLO C[C@@H](OC(=O)[C@H]1CCCC[N@@H+]1C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000745083660 673824850 /nfs/dbraw/zinc/82/48/50/673824850.db2.gz DQCBAAMLKMIBEG-BXUZGUMPSA-N 1 2 361.467 2.463 20 30 FEEDLO C[C@@H](OC(=O)[C@H]1CCCC[N@H+]1C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000745083660 673824853 /nfs/dbraw/zinc/82/48/53/673824853.db2.gz DQCBAAMLKMIBEG-BXUZGUMPSA-N 1 2 361.467 2.463 20 30 FEEDLO NC(=[NH+]OCc1cccc(-c2nn[nH]n2)c1)c1ccc(Br)cc1 ZINC000826388787 675687801 /nfs/dbraw/zinc/68/78/01/675687801.db2.gz JHZGEMUQQPKZFQ-UHFFFAOYSA-N 1 2 373.214 2.466 20 30 FEEDLO CC[N@@H+]1CCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)C[C@H]1C ZINC000619000211 676359588 /nfs/dbraw/zinc/35/95/88/676359588.db2.gz MUDYUQPWGLIJLN-LLVKDONJSA-N 1 2 372.288 2.035 20 30 FEEDLO CC[N@H+]1CCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)C[C@H]1C ZINC000619000211 676359589 /nfs/dbraw/zinc/35/95/89/676359589.db2.gz MUDYUQPWGLIJLN-LLVKDONJSA-N 1 2 372.288 2.035 20 30 FEEDLO Cn1cc(C(=O)NC[C@@H]2CCC[N@@H+]2CC#Cc2ccccc2Cl)cn1 ZINC000639971268 677170391 /nfs/dbraw/zinc/17/03/91/677170391.db2.gz DLIGJEJRCLUCSE-KRWDZBQOSA-N 1 2 356.857 2.319 20 30 FEEDLO Cn1cc(C(=O)NC[C@@H]2CCC[N@H+]2CC#Cc2ccccc2Cl)cn1 ZINC000639971268 677170392 /nfs/dbraw/zinc/17/03/92/677170392.db2.gz DLIGJEJRCLUCSE-KRWDZBQOSA-N 1 2 356.857 2.319 20 30 FEEDLO CC#CC[NH2+]Cc1cn(CC(=O)Nc2ccc(Cl)c(Cl)c2)nn1 ZINC000640759689 677187969 /nfs/dbraw/zinc/18/79/69/677187969.db2.gz HZRRYHKNWODHRS-UHFFFAOYSA-N 1 2 352.225 2.337 20 30 FEEDLO CC#CC[NH2+]Cc1cn([C@H]2CCCN(c3ccccc3Cl)C2=O)nn1 ZINC000641071320 677194035 /nfs/dbraw/zinc/19/40/35/677194035.db2.gz AIXCXPZBSXZWJM-KRWDZBQOSA-N 1 2 357.845 2.413 20 30 FEEDLO CCOC(=O)C1(S(C)(=O)=O)CC[NH+](CCC2(C#N)CCCCC2)CC1 ZINC000839600320 680765463 /nfs/dbraw/zinc/76/54/63/680765463.db2.gz AGHYJGUNARHABH-UHFFFAOYSA-N 1 2 370.515 2.293 20 30 FEEDLO COc1ccc(Br)c([C@@H](CO)[N@H+](C)CCO[C@@H](C)C#N)c1 ZINC000831248607 679954497 /nfs/dbraw/zinc/95/44/97/679954497.db2.gz KACNRNJVOQOYNJ-XHDPSFHLSA-N 1 2 357.248 2.352 20 30 FEEDLO COc1ccc(Br)c([C@@H](CO)[N@@H+](C)CCO[C@@H](C)C#N)c1 ZINC000831248607 679954500 /nfs/dbraw/zinc/95/45/00/679954500.db2.gz KACNRNJVOQOYNJ-XHDPSFHLSA-N 1 2 357.248 2.352 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](Cc2nnc(C)s2)C1 ZINC001023375231 680257370 /nfs/dbraw/zinc/25/73/70/680257370.db2.gz JJCUEBCZULTVKV-OAGGEKHMSA-N 1 2 364.515 2.156 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](Cc2nnc(C)s2)C1 ZINC001023375231 680257371 /nfs/dbraw/zinc/25/73/71/680257371.db2.gz JJCUEBCZULTVKV-OAGGEKHMSA-N 1 2 364.515 2.156 20 30 FEEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCO[C@H]1c1ccnn1CC ZINC001027942463 680365836 /nfs/dbraw/zinc/36/58/36/680365836.db2.gz CZXHUZSBTQHRIC-ZMSDIMECSA-N 1 2 366.893 2.314 20 30 FEEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCO[C@H]1c1ccnn1CC ZINC001027942463 680365841 /nfs/dbraw/zinc/36/58/41/680365841.db2.gz CZXHUZSBTQHRIC-ZMSDIMECSA-N 1 2 366.893 2.314 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(C[N@@H+](C)[C@H](C)c2csnn2)CC1 ZINC001029998529 680396322 /nfs/dbraw/zinc/39/63/22/680396322.db2.gz VWZUDTJWWOPTPI-UNEWFSDZSA-N 1 2 364.515 2.361 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(C[N@H+](C)[C@H](C)c2csnn2)CC1 ZINC001029998529 680396325 /nfs/dbraw/zinc/39/63/25/680396325.db2.gz VWZUDTJWWOPTPI-UNEWFSDZSA-N 1 2 364.515 2.361 20 30 FEEDLO CN(C)c1ncc(C=[NH+]Nc2ccc(S(=O)(=O)NC3CC3)cc2)s1 ZINC000755684011 680428487 /nfs/dbraw/zinc/42/84/87/680428487.db2.gz WLOJCGVZHYZEDO-UHFFFAOYSA-N 1 2 365.484 2.096 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1=CC[N@H+](CC(=C)Br)CC1 ZINC001001164521 680452836 /nfs/dbraw/zinc/45/28/36/680452836.db2.gz UTQRNDRSUKJLCL-CABCVRRESA-N 1 2 355.276 2.234 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1=CC[N@@H+](CC(=C)Br)CC1 ZINC001001164521 680452838 /nfs/dbraw/zinc/45/28/38/680452838.db2.gz UTQRNDRSUKJLCL-CABCVRRESA-N 1 2 355.276 2.234 20 30 FEEDLO C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1Nc1nc(Cl)c(C#N)s1 ZINC001043427716 680581637 /nfs/dbraw/zinc/58/16/37/680581637.db2.gz ZTIPHXYGXBLTIO-GHMZBOCLSA-N 1 2 364.862 2.214 20 30 FEEDLO N#Cc1sc(N[C@@H]2CCCC[C@H]2NC(=O)Cc2[nH]cc[nH+]2)nc1Cl ZINC001045575077 680635484 /nfs/dbraw/zinc/63/54/84/680635484.db2.gz OMGFWBOSOOLPJG-NXEZZACHSA-N 1 2 364.862 2.473 20 30 FEEDLO C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1CNc1ncc(C#N)cc1Cl ZINC001054439329 681109558 /nfs/dbraw/zinc/10/95/58/681109558.db2.gz OAXFJYWXJDQDEI-DGCLKSJQSA-N 1 2 358.833 2.079 20 30 FEEDLO CC[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932944446 681332423 /nfs/dbraw/zinc/33/24/23/681332423.db2.gz VHWBSWNEGPVRSS-DSYKOEDSSA-N 1 2 354.241 2.353 20 30 FEEDLO CC[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932944446 681332425 /nfs/dbraw/zinc/33/24/25/681332425.db2.gz VHWBSWNEGPVRSS-DSYKOEDSSA-N 1 2 354.241 2.353 20 30 FEEDLO C[N@@H+](CC(=O)Nc1sccc1C#N)C[C@@H]1CCN1C(=O)OC(C)(C)C ZINC000933467163 681417681 /nfs/dbraw/zinc/41/76/81/681417681.db2.gz LQCODNSKPSNQGP-ZDUSSCGKSA-N 1 2 364.471 2.499 20 30 FEEDLO C[N@H+](CC(=O)Nc1sccc1C#N)C[C@@H]1CCN1C(=O)OC(C)(C)C ZINC000933467163 681417684 /nfs/dbraw/zinc/41/76/84/681417684.db2.gz LQCODNSKPSNQGP-ZDUSSCGKSA-N 1 2 364.471 2.499 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@H]1CCC[N@H+](Cc2nncs2)CC1 ZINC000948851991 681602026 /nfs/dbraw/zinc/60/20/26/681602026.db2.gz GNAJTJOUUPURQM-ZOBUZTSGSA-N 1 2 364.515 2.332 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@H]1CCC[N@@H+](Cc2nncs2)CC1 ZINC000948851991 681602029 /nfs/dbraw/zinc/60/20/29/681602029.db2.gz GNAJTJOUUPURQM-ZOBUZTSGSA-N 1 2 364.515 2.332 20 30 FEEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3C[C@H]3c3sccc3C)CC2)C1 ZINC000949365960 681635107 /nfs/dbraw/zinc/63/51/07/681635107.db2.gz NABVLKVPGSJFAS-IAGOWNOFSA-N 1 2 358.507 2.487 20 30 FEEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3C[C@H]3c3sccc3C)CC2)C1 ZINC000949365960 681635113 /nfs/dbraw/zinc/63/51/13/681635113.db2.gz NABVLKVPGSJFAS-IAGOWNOFSA-N 1 2 358.507 2.487 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[NH+](CCc2ccc(F)c(F)c2)CC1 ZINC000950593727 681698441 /nfs/dbraw/zinc/69/84/41/681698441.db2.gz LPYDJKMBYIYCHE-QAPCUYQASA-N 1 2 350.409 2.243 20 30 FEEDLO C=C(Cl)C(C)(C)C(=O)N1CC[C@](C)(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000957160667 681885930 /nfs/dbraw/zinc/88/59/30/681885930.db2.gz WYCMSJQXZDXLDC-VFVRVIDISA-N 1 2 364.877 2.399 20 30 FEEDLO C=C(Cl)C(C)(C)C(=O)N1CC[C@](C)(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000957160667 681885936 /nfs/dbraw/zinc/88/59/36/681885936.db2.gz WYCMSJQXZDXLDC-VFVRVIDISA-N 1 2 364.877 2.399 20 30 FEEDLO C#CCC1(NC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)CCCCC1 ZINC000914327620 685504103 /nfs/dbraw/zinc/50/41/03/685504103.db2.gz QTAURQPJHCLUOF-IBGZPJMESA-N 1 2 365.543 2.220 20 30 FEEDLO CC(C)(C#N)CS(=O)(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000914978974 685510783 /nfs/dbraw/zinc/51/07/83/685510783.db2.gz ZJFKEEYTYIQDAI-MRXNPFEDSA-N 1 2 367.540 2.073 20 30 FEEDLO CC(C)(C#N)CS(=O)(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000914978974 685510784 /nfs/dbraw/zinc/51/07/84/685510784.db2.gz ZJFKEEYTYIQDAI-MRXNPFEDSA-N 1 2 367.540 2.073 20 30 FEEDLO NC(=[NH+]OCC(=O)NCc1cccs1)c1ccc(Br)cc1 ZINC000782948894 682098117 /nfs/dbraw/zinc/09/81/17/682098117.db2.gz NVEDBGRSFXJFBQ-UHFFFAOYSA-N 1 2 368.256 2.464 20 30 FEEDLO CCNc1nc(=NN=Cc2cc(-n3cc[nH+]c3)cs2)nc(NCC)[nH]1 ZINC000783800345 682178027 /nfs/dbraw/zinc/17/80/27/682178027.db2.gz SRYFGKDJYLOAAQ-UHFFFAOYSA-N 1 2 357.447 2.428 20 30 FEEDLO C=CCOC(=O)C1C(C)=NC(=S)N[C@H]1c1cc(-n2cc[nH+]c2)cs1 ZINC000783936881 682187837 /nfs/dbraw/zinc/18/78/37/682187837.db2.gz BEPXOVLHCXEJIZ-AWEZNQCLSA-N 1 2 360.464 2.456 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H](C)C1C[NH+](Cc2csnc2OC)C1 ZINC000969692852 682272932 /nfs/dbraw/zinc/27/29/32/682272932.db2.gz PRUSQXRFEXMQIR-WQVCFCJDSA-N 1 2 365.499 2.069 20 30 FEEDLO COC(=O)N(C)CC[N@H+](C)[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000852571018 682302161 /nfs/dbraw/zinc/30/21/61/682302161.db2.gz YUGVUYGCAINEKN-LLVKDONJSA-N 1 2 352.822 2.169 20 30 FEEDLO COC(=O)N(C)CC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000852571018 682302164 /nfs/dbraw/zinc/30/21/64/682302164.db2.gz YUGVUYGCAINEKN-LLVKDONJSA-N 1 2 352.822 2.169 20 30 FEEDLO C[N@@H+]1CC[C@H](NS(=O)(=O)CC(C)(C)C#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000790043799 682651274 /nfs/dbraw/zinc/65/12/74/682651274.db2.gz MDBIXNSQHWLHLW-GJZGRUSLSA-N 1 2 357.426 2.179 20 30 FEEDLO C[N@H+]1CC[C@H](NS(=O)(=O)CC(C)(C)C#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000790043799 682651276 /nfs/dbraw/zinc/65/12/76/682651276.db2.gz MDBIXNSQHWLHLW-GJZGRUSLSA-N 1 2 357.426 2.179 20 30 FEEDLO C#CCNC(=S)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000795106024 683018058 /nfs/dbraw/zinc/01/80/58/683018058.db2.gz IBAJIWJBYIPALD-UHFFFAOYSA-N 1 2 367.272 2.249 20 30 FEEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860164670 683211294 /nfs/dbraw/zinc/21/12/94/683211294.db2.gz IZVNNSMOUWKTBN-MGPQQGTHSA-N 1 2 359.451 2.124 20 30 FEEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860164670 683211297 /nfs/dbraw/zinc/21/12/97/683211297.db2.gz IZVNNSMOUWKTBN-MGPQQGTHSA-N 1 2 359.451 2.124 20 30 FEEDLO N#Cc1cc(F)ccc1S(=O)(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000920627193 683357058 /nfs/dbraw/zinc/35/70/58/683357058.db2.gz WQXKAALWJSRYSM-UHFFFAOYSA-N 1 2 360.414 2.358 20 30 FEEDLO N#CCCc1ccc(S(=O)(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)cc1 ZINC000921321035 683422039 /nfs/dbraw/zinc/42/20/39/683422039.db2.gz YETWXCVIXKBUHI-DLBZAZTESA-N 1 2 365.524 2.001 20 30 FEEDLO N#CCCc1ccc(S(=O)(=O)N[C@H]2CCC[N@H+]3CCSC[C@H]23)cc1 ZINC000921321035 683422042 /nfs/dbraw/zinc/42/20/42/683422042.db2.gz YETWXCVIXKBUHI-DLBZAZTESA-N 1 2 365.524 2.001 20 30 FEEDLO C#CC1(O)CC[NH+]([C@@H](C)C(=O)Nc2cc(C)c(Cl)cc2OC)CC1 ZINC000931146676 683841846 /nfs/dbraw/zinc/84/18/46/683841846.db2.gz PTUVZJSESLRRBA-ZDUSSCGKSA-N 1 2 350.846 2.444 20 30 FEEDLO C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000867538259 684308891 /nfs/dbraw/zinc/30/88/91/684308891.db2.gz XAABOCIOGMGDBA-QWHCGFSZSA-N 1 2 368.865 2.350 20 30 FEEDLO CSC1([C@@H](C#N)N(C)C(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000876452255 686206029 /nfs/dbraw/zinc/20/60/29/686206029.db2.gz OCWCIJLXIFVFGU-IAGOWNOFSA-N 1 2 359.495 2.134 20 30 FEEDLO CSC1([C@@H](C#N)N(C)C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000876452255 686206036 /nfs/dbraw/zinc/20/60/36/686206036.db2.gz OCWCIJLXIFVFGU-IAGOWNOFSA-N 1 2 359.495 2.134 20 30 FEEDLO C=CCc1cc(C[NH+]2CC(CNC(=O)C(F)(F)F)C2)cc(OC)c1O ZINC000877777237 686454853 /nfs/dbraw/zinc/45/48/53/686454853.db2.gz RLQAMNKOKFVKOB-UHFFFAOYSA-N 1 2 358.360 2.240 20 30 FEEDLO C[C@@H]1C[N@@H+](C[C@@H](O)c2cccc(Br)c2)C[C@H](C)N1CC#N ZINC000878774891 686656194 /nfs/dbraw/zinc/65/61/94/686656194.db2.gz CQPSIWRDGWWBQM-DVOMOZLQSA-N 1 2 352.276 2.401 20 30 FEEDLO C[C@@H]1C[N@H+](C[C@@H](O)c2cccc(Br)c2)C[C@H](C)N1CC#N ZINC000878774891 686656197 /nfs/dbraw/zinc/65/61/97/686656197.db2.gz CQPSIWRDGWWBQM-DVOMOZLQSA-N 1 2 352.276 2.401 20 30 FEEDLO COC(=O)C1=NO[C@@]2(CC[N@H+](Cc3cc(Cl)ccc3OCC#N)C2)C1 ZINC000879482018 686832406 /nfs/dbraw/zinc/83/24/06/686832406.db2.gz LLKGBIDBOHGSSO-KRWDZBQOSA-N 1 2 363.801 2.136 20 30 FEEDLO COC(=O)C1=NO[C@@]2(CC[N@@H+](Cc3cc(Cl)ccc3OCC#N)C2)C1 ZINC000879482018 686832414 /nfs/dbraw/zinc/83/24/14/686832414.db2.gz LLKGBIDBOHGSSO-KRWDZBQOSA-N 1 2 363.801 2.136 20 30 FEEDLO CC[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)[C@@H](CO)c1ccccc1 ZINC000880464246 687051639 /nfs/dbraw/zinc/05/16/39/687051639.db2.gz QUYLVPIQURULSA-IBGZPJMESA-N 1 2 358.463 2.387 20 30 FEEDLO CC[N@@H+](CCS(=O)(=O)c1cccc(C#N)c1)[C@@H](CO)c1ccccc1 ZINC000880464246 687051643 /nfs/dbraw/zinc/05/16/43/687051643.db2.gz QUYLVPIQURULSA-IBGZPJMESA-N 1 2 358.463 2.387 20 30 FEEDLO N#Cc1cc(F)c(NCC[N@@H+]2CCC3(C2)OCCO3)cc1Br ZINC000895254727 689685624 /nfs/dbraw/zinc/68/56/24/689685624.db2.gz YGGYHQXVDSBZDG-UHFFFAOYSA-N 1 2 370.222 2.321 20 30 FEEDLO N#Cc1cc(F)c(NCC[N@H+]2CCC3(C2)OCCO3)cc1Br ZINC000895254727 689685626 /nfs/dbraw/zinc/68/56/26/689685626.db2.gz YGGYHQXVDSBZDG-UHFFFAOYSA-N 1 2 370.222 2.321 20 30 FEEDLO C=CCOC(=O)[C@@H]([NH3+])Cc1nc(-c2cc(F)ccc2C(F)(F)F)no1 ZINC000904087941 691001973 /nfs/dbraw/zinc/00/19/73/691001973.db2.gz ICWBEDSPWKBISP-NSHDSACASA-N 1 2 359.279 2.494 20 30 FEEDLO N#Cc1ccc(-n2ccc(NC(=O)[C@H]3CCn4cc[nH+]c4C3)n2)c(F)c1 ZINC000515084975 816096355 /nfs/dbraw/zinc/09/63/55/816096355.db2.gz HATSTGIUWPUPJM-ZDUSSCGKSA-N 1 2 350.357 2.281 20 30 FEEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CCCN(Cc2ccc(F)cc2)CC1)C1CC1 ZINC000022983192 539704358 /nfs/dbraw/zinc/70/43/58/539704358.db2.gz KIOVSQXDXVPSTC-FQEVSTJZSA-N 1 2 358.461 2.142 20 30 FEEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CCCN(Cc2ccc(F)cc2)CC1)C1CC1 ZINC000022983192 539704362 /nfs/dbraw/zinc/70/43/62/539704362.db2.gz KIOVSQXDXVPSTC-FQEVSTJZSA-N 1 2 358.461 2.142 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C[C@@H](O)COc3ccccc3F)CC2)cc1 ZINC000025226455 539752079 /nfs/dbraw/zinc/75/20/79/539752079.db2.gz NWFYPGCUZQHUDM-LJQANCHMSA-N 1 2 369.440 2.255 20 30 FEEDLO CSc1[nH]c(=O)c(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1C#N ZINC000027605604 539811851 /nfs/dbraw/zinc/81/18/51/539811851.db2.gz INKVXUVCRGXWPD-UHFFFAOYSA-N 1 2 368.462 2.339 20 30 FEEDLO N#Cc1ccc(CN2CCC[N@@H+](CC(=O)NCc3ccccc3)CC2)cc1 ZINC000028960574 539840089 /nfs/dbraw/zinc/84/00/89/539840089.db2.gz FWGJPAMRGNIOLT-UHFFFAOYSA-N 1 2 362.477 2.382 20 30 FEEDLO N#Cc1ccc(CN2CCC[N@H+](CC(=O)NCc3ccccc3)CC2)cc1 ZINC000028960574 539840091 /nfs/dbraw/zinc/84/00/91/539840091.db2.gz FWGJPAMRGNIOLT-UHFFFAOYSA-N 1 2 362.477 2.382 20 30 FEEDLO Cc1cccc([C@H](CNC(=O)c2ccc(C#N)c(C)n2)[NH+]2CCOCC2)c1 ZINC000029421240 539852942 /nfs/dbraw/zinc/85/29/42/539852942.db2.gz YRLGXXZFUDVOAQ-FQEVSTJZSA-N 1 2 364.449 2.373 20 30 FEEDLO C[C@H](C(=O)NCCC1=CCCCC1)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000029447116 539853523 /nfs/dbraw/zinc/85/35/23/539853523.db2.gz RKKSVHWHWOBUJN-QGZVFWFLSA-N 1 2 367.497 2.470 20 30 FEEDLO C[C@H](c1ccccc1)N(C)C(=O)C[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000029446068 539853535 /nfs/dbraw/zinc/85/35/35/539853535.db2.gz OHIFZWFSMRBICQ-QGZVFWFLSA-N 1 2 363.465 2.295 20 30 FEEDLO N#Cc1ccnc(N2CC[NH+](CC(=O)Nc3ccc4c(c3)CCC4)CC2)c1 ZINC000029444891 539853612 /nfs/dbraw/zinc/85/36/12/539853612.db2.gz PCNZNVASACPGMU-UHFFFAOYSA-N 1 2 361.449 2.203 20 30 FEEDLO N#Cc1c(F)cccc1N1CC[NH+](CC(=O)NCc2ccc(F)cc2)CC1 ZINC000029856374 539866987 /nfs/dbraw/zinc/86/69/87/539866987.db2.gz HNSLMXCQWRBAAM-UHFFFAOYSA-N 1 2 370.403 2.275 20 30 FEEDLO CN(C(=O)C[N@@H+]1CCC[C@@H]1C(=O)NCc1ccco1)C1(C#N)CCCCC1 ZINC000031557846 539910165 /nfs/dbraw/zinc/91/01/65/539910165.db2.gz MAGDEJSXTAKVCU-QGZVFWFLSA-N 1 2 372.469 2.045 20 30 FEEDLO CN(C(=O)C[N@H+]1CCC[C@@H]1C(=O)NCc1ccco1)C1(C#N)CCCCC1 ZINC000031557846 539910169 /nfs/dbraw/zinc/91/01/69/539910169.db2.gz MAGDEJSXTAKVCU-QGZVFWFLSA-N 1 2 372.469 2.045 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Cc3cn4ccccc4n3)CC2)cc1 ZINC000032084150 539928316 /nfs/dbraw/zinc/92/83/16/539928316.db2.gz MGHINWWUVHUKMP-UHFFFAOYSA-N 1 2 359.433 2.093 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000032831965 539955176 /nfs/dbraw/zinc/95/51/76/539955176.db2.gz UZHXQOGJKJQDTJ-DNVCBOLYSA-N 1 2 373.457 2.160 20 30 FEEDLO C#Cc1cccc(NC(=O)N2CCC[N@@H+](CC(=O)NC(C)(C)C)CC2)c1 ZINC000043985035 540116406 /nfs/dbraw/zinc/11/64/06/540116406.db2.gz SMVWVFBXQQSNGE-UHFFFAOYSA-N 1 2 356.470 2.122 20 30 FEEDLO C#Cc1cccc(NC(=O)N2CCC[N@H+](CC(=O)NC(C)(C)C)CC2)c1 ZINC000043985035 540116409 /nfs/dbraw/zinc/11/64/09/540116409.db2.gz SMVWVFBXQQSNGE-UHFFFAOYSA-N 1 2 356.470 2.122 20 30 FEEDLO Cc1noc(C)c1C[NH+]1CCN(C(=O)[C@@H](C)Oc2ccccc2C#N)CC1 ZINC000046814579 540271821 /nfs/dbraw/zinc/27/18/21/540271821.db2.gz OOMFLJKKMFMFMT-MRXNPFEDSA-N 1 2 368.437 2.275 20 30 FEEDLO C[C@@H]1CCC[C@@H](C)N1C(=O)CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000049971025 540395551 /nfs/dbraw/zinc/39/55/51/540395551.db2.gz HCFRXAFCMRVGHK-QZTJIDSGSA-N 1 2 354.498 2.465 20 30 FEEDLO C[C@@H]1CCC[C@@H](C)N1C(=O)C[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000049971025 540395552 /nfs/dbraw/zinc/39/55/52/540395552.db2.gz HCFRXAFCMRVGHK-QZTJIDSGSA-N 1 2 354.498 2.465 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)CC(=O)N(C)C1CCCCC1 ZINC000052675281 540480889 /nfs/dbraw/zinc/48/08/89/540480889.db2.gz AURWYZDOUAEHDE-KXBFYZLASA-N 1 2 350.507 2.152 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@@H+](C)CC(=O)N(C)C1CCCCC1 ZINC000052675281 540480891 /nfs/dbraw/zinc/48/08/91/540480891.db2.gz AURWYZDOUAEHDE-KXBFYZLASA-N 1 2 350.507 2.152 20 30 FEEDLO Cc1[nH+]c2ccccc2n1CC(=O)N1CCCN(c2ncccc2C#N)CC1 ZINC000055740416 540673904 /nfs/dbraw/zinc/67/39/04/540673904.db2.gz IAHSEMLIOCWAAS-UHFFFAOYSA-N 1 2 374.448 2.350 20 30 FEEDLO COc1ccc(CC(N)=[NH+]OCC(=O)Nc2ccc(OC)cc2OC)cc1 ZINC000060455323 541112541 /nfs/dbraw/zinc/11/25/41/541112541.db2.gz OWAKKZRVNQFJBX-UHFFFAOYSA-N 1 2 373.409 2.182 20 30 FEEDLO N#Cc1ccc(NC(=O)C(=O)NCc2ccccc2Cn2cc[nH+]c2)cc1 ZINC000062000406 541143002 /nfs/dbraw/zinc/14/30/02/541143002.db2.gz BSMUGVYODCXTDV-UHFFFAOYSA-N 1 2 359.389 2.058 20 30 FEEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000064634245 541212917 /nfs/dbraw/zinc/21/29/17/541212917.db2.gz QCSJSAUIEXTULX-MRXNPFEDSA-N 1 2 374.448 2.364 20 30 FEEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000064634245 541212919 /nfs/dbraw/zinc/21/29/19/541212919.db2.gz QCSJSAUIEXTULX-MRXNPFEDSA-N 1 2 374.448 2.364 20 30 FEEDLO N#CC1(NC(=O)C[NH+]2CCC(NC(=O)c3ccsc3)CC2)CCCCC1 ZINC000064991419 541222139 /nfs/dbraw/zinc/22/21/39/541222139.db2.gz QMLUEOZWSCDVGI-UHFFFAOYSA-N 1 2 374.510 2.285 20 30 FEEDLO Cc1noc(C)c1C[NH+]1CCN(CC(=O)N(C)C2(C#N)CCCCC2)CC1 ZINC000065682179 541253464 /nfs/dbraw/zinc/25/34/64/541253464.db2.gz AAKITLMNCDDOIP-UHFFFAOYSA-N 1 2 373.501 2.094 20 30 FEEDLO CCn1c(Cn2cc(C(=O)OC)cc(C#N)c2=O)[nH+]c2cc(F)ccc21 ZINC000066256509 541295276 /nfs/dbraw/zinc/29/52/76/541295276.db2.gz XIJKNQJFRVTTBJ-UHFFFAOYSA-N 1 2 354.341 2.064 20 30 FEEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000066437778 541318809 /nfs/dbraw/zinc/31/88/09/541318809.db2.gz XSBXFTDWKJPDPM-INIZCTEOSA-N 1 2 374.448 2.364 20 30 FEEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000066437778 541318813 /nfs/dbraw/zinc/31/88/13/541318813.db2.gz XSBXFTDWKJPDPM-INIZCTEOSA-N 1 2 374.448 2.364 20 30 FEEDLO CCn1cc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)ccc1=O ZINC000068578057 541611943 /nfs/dbraw/zinc/61/19/43/541611943.db2.gz UOYOTBZNHVLSIU-UHFFFAOYSA-N 1 2 365.437 2.090 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN([C@H]3CCN(c4ccccc4)C3=O)CC2)cc1 ZINC000068784688 541628028 /nfs/dbraw/zinc/62/80/28/541628028.db2.gz OINCHUHOFAHVHE-NRFANRHFSA-N 1 2 360.461 2.481 20 30 FEEDLO Cc1cc(N)nc(SCC(=O)Nc2c(C#N)cnn2-c2ccccc2)[nH+]1 ZINC000072034002 541780039 /nfs/dbraw/zinc/78/00/39/541780039.db2.gz BAXAVHDRGTYWJS-UHFFFAOYSA-N 1 2 365.422 2.155 20 30 FEEDLO N#Cc1cccnc1N1CC[NH+]([C@@H](C(=O)NC2CC2)c2ccccc2)CC1 ZINC000073108531 541919561 /nfs/dbraw/zinc/91/95/61/541919561.db2.gz QEQISRNQOOBRSR-LJQANCHMSA-N 1 2 361.449 2.095 20 30 FEEDLO CC(=O)N1CCC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)CC1 ZINC000073647084 541980543 /nfs/dbraw/zinc/98/05/43/541980543.db2.gz QILGPEJOCNOZHA-QGZVFWFLSA-N 1 2 356.470 2.184 20 30 FEEDLO CC(=O)N1CCC[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)CC1 ZINC000073647084 541980547 /nfs/dbraw/zinc/98/05/47/541980547.db2.gz QILGPEJOCNOZHA-QGZVFWFLSA-N 1 2 356.470 2.184 20 30 FEEDLO CC(=O)N1CCC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)CC1 ZINC000073647093 541980898 /nfs/dbraw/zinc/98/08/98/541980898.db2.gz BTIIYKZNBIZJJH-HNNXBMFYSA-N 1 2 360.433 2.015 20 30 FEEDLO CC(=O)N1CCC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)CC1 ZINC000073647093 541980902 /nfs/dbraw/zinc/98/09/02/541980902.db2.gz BTIIYKZNBIZJJH-HNNXBMFYSA-N 1 2 360.433 2.015 20 30 FEEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000076201958 542242750 /nfs/dbraw/zinc/24/27/50/542242750.db2.gz CTFOIGWYOPALGN-OAHLLOKOSA-N 1 2 369.421 2.181 20 30 FEEDLO C[C@H]1C[N@H+](Cc2ccccc2)CCN1S(=O)(=O)c1ccc(C#N)cc1 ZINC000076854714 542326772 /nfs/dbraw/zinc/32/67/72/542326772.db2.gz YVHNRUYSEBMOQI-INIZCTEOSA-N 1 2 355.463 2.453 20 30 FEEDLO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1S(=O)(=O)c1ccc(C#N)cc1 ZINC000076854714 542326776 /nfs/dbraw/zinc/32/67/76/542326776.db2.gz YVHNRUYSEBMOQI-INIZCTEOSA-N 1 2 355.463 2.453 20 30 FEEDLO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1S(=O)(=O)c1ccccc1C#N ZINC000076854731 542326803 /nfs/dbraw/zinc/32/68/03/542326803.db2.gz XKXUUICGNQDTET-MRXNPFEDSA-N 1 2 355.463 2.453 20 30 FEEDLO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1S(=O)(=O)c1ccccc1C#N ZINC000076854731 542326807 /nfs/dbraw/zinc/32/68/07/542326807.db2.gz XKXUUICGNQDTET-MRXNPFEDSA-N 1 2 355.463 2.453 20 30 FEEDLO COc1cc[nH+]cc1NC(=O)C(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000076731276 542318960 /nfs/dbraw/zinc/31/89/60/542318960.db2.gz ZLFQMCDASVTMMK-DOTOQJQBSA-N 1 2 364.405 2.327 20 30 FEEDLO N#Cc1nnc2ccccc2c1NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000077489302 542388184 /nfs/dbraw/zinc/38/81/84/542388184.db2.gz AYPIVOXOUOSYNN-GOSISDBHSA-N 1 2 355.467 2.121 20 30 FEEDLO CCOCc1cccc(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000078541023 542466198 /nfs/dbraw/zinc/46/61/98/542466198.db2.gz WHUVZZZTGLNLTA-UHFFFAOYSA-N 1 2 360.458 2.303 20 30 FEEDLO Cc1ccc2c(CN(CCC#N)CC[NH+]3CCOCC3)cc(=O)oc2c1C ZINC000078686810 542476709 /nfs/dbraw/zinc/47/67/09/542476709.db2.gz GQTJKSBTYFSUBZ-UHFFFAOYSA-N 1 2 369.465 2.458 20 30 FEEDLO C[NH+](C)Cc1nc(C(C)(C)NC(=O)c2cccc(SCC#N)c2)no1 ZINC000079802774 542542366 /nfs/dbraw/zinc/54/23/66/542542366.db2.gz NASDTJSJHOHSRR-UHFFFAOYSA-N 1 2 359.455 2.412 20 30 FEEDLO N#CCC[N@@H+](CC(=O)NCC1(c2ccccc2)CCOCC1)CC1CC1 ZINC000081045070 542627426 /nfs/dbraw/zinc/62/74/26/542627426.db2.gz CCVIWUKNWJLQRK-UHFFFAOYSA-N 1 2 355.482 2.477 20 30 FEEDLO N#CCC[N@H+](CC(=O)NCC1(c2ccccc2)CCOCC1)CC1CC1 ZINC000081045070 542627429 /nfs/dbraw/zinc/62/74/29/542627429.db2.gz CCVIWUKNWJLQRK-UHFFFAOYSA-N 1 2 355.482 2.477 20 30 FEEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN(C(=O)Nc2ccc(C)c(Cl)c2)CC1 ZINC000089422731 542763222 /nfs/dbraw/zinc/76/32/22/542763222.db2.gz NGJVIYNNJIVLBY-CQSZACIVSA-N 1 2 364.877 2.489 20 30 FEEDLO C=C(C)COCCNC(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000089952107 542776805 /nfs/dbraw/zinc/77/68/05/542776805.db2.gz TXGJXZBHGFIWLW-UHFFFAOYSA-N 1 2 356.426 2.098 20 30 FEEDLO N#CCCN(C(=O)C[N@H+]1CCCN(CC(F)F)CC1)c1ccccc1 ZINC000091083809 542794239 /nfs/dbraw/zinc/79/42/39/542794239.db2.gz JBXNSNZQFBLVMZ-UHFFFAOYSA-N 1 2 350.413 2.206 20 30 FEEDLO N#CCCN(C(=O)C[N@@H+]1CCCN(CC(F)F)CC1)c1ccccc1 ZINC000091083809 542794242 /nfs/dbraw/zinc/79/42/42/542794242.db2.gz JBXNSNZQFBLVMZ-UHFFFAOYSA-N 1 2 350.413 2.206 20 30 FEEDLO CC(C)CN(C(=O)C[NH+]1CCN(c2ccc(C#N)cc2F)CC1)C1CC1 ZINC000101558243 543032567 /nfs/dbraw/zinc/03/25/67/543032567.db2.gz XWNZVLPNYXGJQL-UHFFFAOYSA-N 1 2 358.461 2.466 20 30 FEEDLO Cc1ccc([C@@H](CNC(=O)N2CCC(C#N)CC2)[NH+]2CCOCC2)cc1 ZINC000105167155 543163360 /nfs/dbraw/zinc/16/33/60/543163360.db2.gz PRLWSEVOBVBIFK-LJQANCHMSA-N 1 2 356.470 2.314 20 30 FEEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000105299143 543170335 /nfs/dbraw/zinc/17/03/35/543170335.db2.gz FEYPPQHIBKCMBO-IRXDYDNUSA-N 1 2 356.470 2.365 20 30 FEEDLO C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000106580569 543239724 /nfs/dbraw/zinc/23/97/24/543239724.db2.gz HJVJBIQLOMMLDR-QGZVFWFLSA-N 1 2 360.502 2.029 20 30 FEEDLO C[C@H](Oc1ccccc1C#N)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000110956128 543375089 /nfs/dbraw/zinc/37/50/89/543375089.db2.gz RNJGNRYHIJZNBZ-WMZOPIPTSA-N 1 2 357.454 2.039 20 30 FEEDLO N#Cc1ccsc1C(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000111125012 543382638 /nfs/dbraw/zinc/38/26/38/543382638.db2.gz KANUQXFQWFCARK-KRWDZBQOSA-N 1 2 355.463 2.293 20 30 FEEDLO N#CCCCS(=O)(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000111351253 543398428 /nfs/dbraw/zinc/39/84/28/543398428.db2.gz REUJMYYIVOHRLN-ZDUSSCGKSA-N 1 2 357.426 2.152 20 30 FEEDLO N#CCCCS(=O)(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000111351253 543398430 /nfs/dbraw/zinc/39/84/30/543398430.db2.gz REUJMYYIVOHRLN-ZDUSSCGKSA-N 1 2 357.426 2.152 20 30 FEEDLO N#CC1(C(=O)N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)CCCCC1 ZINC000117311340 543629655 /nfs/dbraw/zinc/62/96/55/543629655.db2.gz KLVROFIPJXYHAO-GOSISDBHSA-N 1 2 371.481 2.045 20 30 FEEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N(C)Cc1[nH+]ccn1C ZINC000119707906 543671552 /nfs/dbraw/zinc/67/15/52/543671552.db2.gz NMHUIKRPUZIEGG-CYBMUJFWSA-N 1 2 371.466 2.269 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1cc(C2CCCCC2)n[nH]1 ZINC000122731668 543720827 /nfs/dbraw/zinc/72/08/27/543720827.db2.gz MHIYLYCLASULCL-UHFFFAOYSA-N 1 2 359.474 2.145 20 30 FEEDLO C[C@](C#N)(NC(=O)C[NH+]1CCC(c2ncc(C(F)(F)F)[nH]2)CC1)C1CC1 ZINC000125651701 543893864 /nfs/dbraw/zinc/89/38/64/543893864.db2.gz ZTKSVNWKJCHCCK-MRXNPFEDSA-N 1 2 369.391 2.416 20 30 FEEDLO N#Cc1cccc(OCCCCC(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)c1 ZINC000127292647 543983752 /nfs/dbraw/zinc/98/37/52/543983752.db2.gz WRTRKECFQKKFTQ-LJQANCHMSA-N 1 2 357.454 2.087 20 30 FEEDLO N#Cc1cccc(OCCCCC(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)c1 ZINC000127292647 543983753 /nfs/dbraw/zinc/98/37/53/543983753.db2.gz WRTRKECFQKKFTQ-LJQANCHMSA-N 1 2 357.454 2.087 20 30 FEEDLO COCCN(c1cc[nH+]cc1)S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000127460002 543994873 /nfs/dbraw/zinc/99/48/73/543994873.db2.gz VOXYHNWTAMWWEK-UHFFFAOYSA-N 1 2 351.815 2.448 20 30 FEEDLO C[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)Cc1ccc2c(c1)OCO2 ZINC000128198029 544038334 /nfs/dbraw/zinc/03/83/34/544038334.db2.gz VKRYBXNHTHNPDB-UHFFFAOYSA-N 1 2 358.419 2.193 20 30 FEEDLO C[N@@H+](CCS(=O)(=O)c1cccc(C#N)c1)Cc1ccc2c(c1)OCO2 ZINC000128198029 544038335 /nfs/dbraw/zinc/03/83/35/544038335.db2.gz VKRYBXNHTHNPDB-UHFFFAOYSA-N 1 2 358.419 2.193 20 30 FEEDLO CSc1[nH]c(=O)c(C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)cc1C#N ZINC000130797037 544165230 /nfs/dbraw/zinc/16/52/30/544165230.db2.gz BJIZZFVSOFKZPF-HNNXBMFYSA-N 1 2 374.441 2.140 20 30 FEEDLO C=C(C)COCCNC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000134985729 544330152 /nfs/dbraw/zinc/33/01/52/544330152.db2.gz RWRGCKOTOIXMCR-UHFFFAOYSA-N 1 2 361.490 2.333 20 30 FEEDLO C=CCOc1ccccc1C[NH+]1CCN(CC(=O)N2CCCCC2)CC1 ZINC000135099655 544334162 /nfs/dbraw/zinc/33/41/62/544334162.db2.gz SULWGCJPNSJTTP-UHFFFAOYSA-N 1 2 357.498 2.382 20 30 FEEDLO C=CCOc1ccccc1CN1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC000135099655 544334164 /nfs/dbraw/zinc/33/41/64/544334164.db2.gz SULWGCJPNSJTTP-UHFFFAOYSA-N 1 2 357.498 2.382 20 30 FEEDLO O=S(=O)([C@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1)N1CCCC1 ZINC000135683089 544358635 /nfs/dbraw/zinc/35/86/35/544358635.db2.gz PCPWVJPGFGECHI-KRWDZBQOSA-N 1 2 352.887 2.191 20 30 FEEDLO O=S(=O)([C@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)C1)N1CCCC1 ZINC000135683089 544358638 /nfs/dbraw/zinc/35/86/38/544358638.db2.gz PCPWVJPGFGECHI-KRWDZBQOSA-N 1 2 352.887 2.191 20 30 FEEDLO C=CCNC(=O)C[NH+]1CCN([C@@H](C)c2ccccc2Br)CC1 ZINC000139659900 544404231 /nfs/dbraw/zinc/40/42/31/544404231.db2.gz BGFJSNBXTYZIGZ-AWEZNQCLSA-N 1 2 366.303 2.430 20 30 FEEDLO C=CCNC(=O)CN1CC[NH+]([C@@H](C)c2ccccc2Br)CC1 ZINC000139659900 544404234 /nfs/dbraw/zinc/40/42/34/544404234.db2.gz BGFJSNBXTYZIGZ-AWEZNQCLSA-N 1 2 366.303 2.430 20 30 FEEDLO COc1cc(C(N)=[NH+]OCC(=O)N2CCCCCC2)cc(Cl)c1OC ZINC000148966790 544454255 /nfs/dbraw/zinc/45/42/55/544454255.db2.gz QIUGRLLJSYJMCZ-UHFFFAOYSA-N 1 2 369.849 2.397 20 30 FEEDLO N#Cc1ccc(NC(=O)CC[N@H+]2CCOC[C@@H]2C[C@H](O)c2ccco2)cc1 ZINC000151728078 544573253 /nfs/dbraw/zinc/57/32/53/544573253.db2.gz NRBKEWLZQOKOKX-ROUUACIJSA-N 1 2 369.421 2.304 20 30 FEEDLO N#Cc1ccc(NC(=O)CC[N@@H+]2CCOC[C@@H]2C[C@H](O)c2ccco2)cc1 ZINC000151728078 544573256 /nfs/dbraw/zinc/57/32/56/544573256.db2.gz NRBKEWLZQOKOKX-ROUUACIJSA-N 1 2 369.421 2.304 20 30 FEEDLO CNc1nc(CN2CC(=O)C(=C3N(C)c4ccccc4N3C)C2=[NH2+])cs1 ZINC000153999032 544850955 /nfs/dbraw/zinc/85/09/55/544850955.db2.gz PCEVVOFHRGHCBH-UHFFFAOYSA-N 1 2 368.466 2.345 20 30 FEEDLO C=CCc1cc(CN(CCC#N)CC[NH+]2CCOCC2)cc(OC)c1O ZINC000154794762 544951023 /nfs/dbraw/zinc/95/10/23/544951023.db2.gz BUIXGFIKVVGXSC-UHFFFAOYSA-N 1 2 359.470 2.177 20 30 FEEDLO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CC[NH+](CCO)CC1 ZINC000154821446 544953612 /nfs/dbraw/zinc/95/36/12/544953612.db2.gz HFAJTBAMYHRNII-UHFFFAOYSA-N 1 2 358.360 2.020 20 30 FEEDLO N#Cc1ccccc1COc1cccc(C[NH+]2CCN(CCO)CC2)c1 ZINC000154557508 544920757 /nfs/dbraw/zinc/92/07/57/544920757.db2.gz SULJSVSRVRSOHQ-UHFFFAOYSA-N 1 2 351.450 2.247 20 30 FEEDLO C=CC[N@@H+](CC(=O)Nc1nc(CC(=O)OC)cs1)Cc1ccccc1 ZINC000155047915 544981831 /nfs/dbraw/zinc/98/18/31/544981831.db2.gz BZNVJPRRXDLHNH-UHFFFAOYSA-N 1 2 359.451 2.485 20 30 FEEDLO C=CC[N@H+](CC(=O)Nc1nc(CC(=O)OC)cs1)Cc1ccccc1 ZINC000155047915 544981833 /nfs/dbraw/zinc/98/18/33/544981833.db2.gz BZNVJPRRXDLHNH-UHFFFAOYSA-N 1 2 359.451 2.485 20 30 FEEDLO COc1cc(C#N)ccc1S(=O)(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000185372194 327913371 /nfs/dbraw/zinc/91/33/71/327913371.db2.gz CQOQTFYKFFQSOB-UHFFFAOYSA-N 1 2 371.462 2.073 20 30 FEEDLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)c3ccc(C#N)cc3)c2)CC1 ZINC000187149608 328004832 /nfs/dbraw/zinc/00/48/32/328004832.db2.gz BMXLOWDRQSLKOS-UHFFFAOYSA-N 1 2 362.433 2.475 20 30 FEEDLO CCCNC(=O)C[C@@H](C(N)=O)[N@H+](CCC)Cc1ccc(Cl)cc1C#N ZINC000187466129 328027505 /nfs/dbraw/zinc/02/75/05/328027505.db2.gz YSHZEQJDJIQRBU-INIZCTEOSA-N 1 2 364.877 2.194 20 30 FEEDLO CCCNC(=O)C[C@@H](C(N)=O)[N@@H+](CCC)Cc1ccc(Cl)cc1C#N ZINC000187466129 328027506 /nfs/dbraw/zinc/02/75/06/328027506.db2.gz YSHZEQJDJIQRBU-INIZCTEOSA-N 1 2 364.877 2.194 20 30 FEEDLO C[N@H+](CCOc1ccc(F)cc1)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000081512379 325179457 /nfs/dbraw/zinc/17/94/57/325179457.db2.gz LDPITWABPPAJDY-UHFFFAOYSA-N 1 2 362.426 2.482 20 30 FEEDLO C[N@@H+](CCOc1ccc(F)cc1)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000081512379 325179458 /nfs/dbraw/zinc/17/94/58/325179458.db2.gz LDPITWABPPAJDY-UHFFFAOYSA-N 1 2 362.426 2.482 20 30 FEEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[NH+]1CCC(C(=O)N2CCCC2)CC1 ZINC000083132856 325213583 /nfs/dbraw/zinc/21/35/83/325213583.db2.gz JJRJAZHTMGHERJ-GOSISDBHSA-N 1 2 355.438 2.107 20 30 FEEDLO COc1cc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@H]2C)cc(OC)c1 ZINC000091936678 325398815 /nfs/dbraw/zinc/39/88/15/325398815.db2.gz VURCSCKGKJUVHI-CQSZACIVSA-N 1 2 353.426 2.076 20 30 FEEDLO COc1cc(C[N@H+]2CCN(c3nccnc3C#N)C[C@H]2C)cc(OC)c1 ZINC000091936678 325398817 /nfs/dbraw/zinc/39/88/17/325398817.db2.gz VURCSCKGKJUVHI-CQSZACIVSA-N 1 2 353.426 2.076 20 30 FEEDLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CCN(c3ncccc3C#N)CC2)c1 ZINC000118761334 326101094 /nfs/dbraw/zinc/10/10/94/326101094.db2.gz BWAQDRIEINOQCN-UHFFFAOYSA-N 1 2 372.432 2.410 20 30 FEEDLO CCO[C@H](C)c1noc(C[N@@H+]2CCCN(c3ncccc3C#N)CC2)n1 ZINC000120528912 326266056 /nfs/dbraw/zinc/26/60/56/326266056.db2.gz MWWXUEAWZDUAOE-CQSZACIVSA-N 1 2 356.430 2.146 20 30 FEEDLO CCO[C@H](C)c1noc(C[N@H+]2CCCN(c3ncccc3C#N)CC2)n1 ZINC000120528912 326266057 /nfs/dbraw/zinc/26/60/57/326266057.db2.gz MWWXUEAWZDUAOE-CQSZACIVSA-N 1 2 356.430 2.146 20 30 FEEDLO N#Cc1ccc(-c2nnc(C[N@H+]3CCCN(C(=O)C4CC4)CC3)o2)cc1 ZINC000121614630 326352091 /nfs/dbraw/zinc/35/20/91/326352091.db2.gz LTULTLKFJBUMSA-UHFFFAOYSA-N 1 2 351.410 2.053 20 30 FEEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3CCCN(C(=O)C4CC4)CC3)o2)cc1 ZINC000121614630 326352092 /nfs/dbraw/zinc/35/20/92/326352092.db2.gz LTULTLKFJBUMSA-UHFFFAOYSA-N 1 2 351.410 2.053 20 30 FEEDLO CCN(CC)C(=O)[C@@H](C)[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000130839527 326564131 /nfs/dbraw/zinc/56/41/31/326564131.db2.gz UYBLAIZLVLJKHT-MRXNPFEDSA-N 1 2 365.481 2.485 20 30 FEEDLO N#Cc1ccccc1N1CCN(C(=O)NCCCNc2cccc[nH+]2)CC1 ZINC000171011752 327112241 /nfs/dbraw/zinc/11/22/41/327112241.db2.gz ZSQCGAFHKNYZAJ-UHFFFAOYSA-N 1 2 364.453 2.287 20 30 FEEDLO COc1cc(C[NH+]2CCN(c3nnc(C)c(C)c3C#N)CC2)cc(OC)c1 ZINC000267101647 329291849 /nfs/dbraw/zinc/29/18/49/329291849.db2.gz WUHQTKLHBFYANU-UHFFFAOYSA-N 1 2 367.453 2.305 20 30 FEEDLO CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000267407888 329323903 /nfs/dbraw/zinc/32/39/03/329323903.db2.gz RAIHVELQMVLCDL-AWEZNQCLSA-N 1 2 367.409 2.025 20 30 FEEDLO CCc1oc(C(=O)OC)cc1C[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000267408589 329324275 /nfs/dbraw/zinc/32/42/75/329324275.db2.gz RFGUIKPMNBEFKV-UHFFFAOYSA-N 1 2 354.410 2.217 20 30 FEEDLO CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000267414065 329324807 /nfs/dbraw/zinc/32/48/07/329324807.db2.gz LCVMWNHSQLBWMG-QGZVFWFLSA-N 1 2 372.469 2.116 20 30 FEEDLO CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000267414065 329324808 /nfs/dbraw/zinc/32/48/08/329324808.db2.gz LCVMWNHSQLBWMG-QGZVFWFLSA-N 1 2 372.469 2.116 20 30 FEEDLO COc1coc(C[N@@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)cc1=O ZINC000267937476 329369840 /nfs/dbraw/zinc/36/98/40/329369840.db2.gz YOWNFOZBMMHXRG-UHFFFAOYSA-N 1 2 353.422 2.228 20 30 FEEDLO COc1coc(C[N@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)cc1=O ZINC000267937476 329369841 /nfs/dbraw/zinc/36/98/41/329369841.db2.gz YOWNFOZBMMHXRG-UHFFFAOYSA-N 1 2 353.422 2.228 20 30 FEEDLO CCS(=O)(=O)CCCCC[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000276460255 330154300 /nfs/dbraw/zinc/15/43/00/330154300.db2.gz LUIFUEHQOIALAJ-UHFFFAOYSA-N 1 2 363.527 2.281 20 30 FEEDLO COCc1nccc([C@@H]2CCC[N@H+](CC(=O)Nc3cccc(C#N)c3)C2)n1 ZINC000375774135 330249515 /nfs/dbraw/zinc/24/95/15/330249515.db2.gz MDGWIXVISPYQSV-MRXNPFEDSA-N 1 2 365.437 2.313 20 30 FEEDLO COCc1nccc([C@@H]2CCC[N@@H+](CC(=O)Nc3cccc(C#N)c3)C2)n1 ZINC000375774135 330249516 /nfs/dbraw/zinc/24/95/16/330249516.db2.gz MDGWIXVISPYQSV-MRXNPFEDSA-N 1 2 365.437 2.313 20 30 FEEDLO COCC[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)[C@@H]1CCCSC1 ZINC000433175988 330274836 /nfs/dbraw/zinc/27/48/36/330274836.db2.gz AQFZPLBVODPXCK-MRXNPFEDSA-N 1 2 368.524 2.176 20 30 FEEDLO COCC[N@@H+](CCS(=O)(=O)c1cccc(C#N)c1)[C@@H]1CCCSC1 ZINC000433175988 330274837 /nfs/dbraw/zinc/27/48/37/330274837.db2.gz AQFZPLBVODPXCK-MRXNPFEDSA-N 1 2 368.524 2.176 20 30 FEEDLO CC#CC[N@H+](C)CC(=O)N(C)CCOc1ccc(Br)cc1 ZINC000555759941 674375315 /nfs/dbraw/zinc/37/53/15/674375315.db2.gz YLKYSCFLHDTQRD-UHFFFAOYSA-N 1 2 353.260 2.241 20 30 FEEDLO CC#CC[N@@H+](C)CC(=O)N(C)CCOc1ccc(Br)cc1 ZINC000555759941 674375316 /nfs/dbraw/zinc/37/53/16/674375316.db2.gz YLKYSCFLHDTQRD-UHFFFAOYSA-N 1 2 353.260 2.241 20 30 FEEDLO C#CCOc1ccc(C(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)cc1 ZINC000155547534 545541347 /nfs/dbraw/zinc/54/13/47/545541347.db2.gz OCDAZWUNQWZWOI-UHFFFAOYSA-N 1 2 351.406 2.491 20 30 FEEDLO N#Cc1ccc([C@@H](O)C[N@H+]2CCOC[C@@H]2C[C@H](O)c2cccs2)cc1 ZINC000156686242 545647479 /nfs/dbraw/zinc/64/74/79/545647479.db2.gz ULFHBYIZMFTETJ-BZSNNMDCSA-N 1 2 358.463 2.478 20 30 FEEDLO N#Cc1ccc([C@@H](O)C[N@@H+]2CCOC[C@@H]2C[C@H](O)c2cccs2)cc1 ZINC000156686242 545647485 /nfs/dbraw/zinc/64/74/85/545647485.db2.gz ULFHBYIZMFTETJ-BZSNNMDCSA-N 1 2 358.463 2.478 20 30 FEEDLO C[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)[C@H](CCO)c1ccccc1 ZINC000156795612 545662667 /nfs/dbraw/zinc/66/26/67/545662667.db2.gz BUOAFISHQRCCDV-LJQANCHMSA-N 1 2 358.463 2.387 20 30 FEEDLO C[N@@H+](CCS(=O)(=O)c1cccc(C#N)c1)[C@H](CCO)c1ccccc1 ZINC000156795612 545662671 /nfs/dbraw/zinc/66/26/71/545662671.db2.gz BUOAFISHQRCCDV-LJQANCHMSA-N 1 2 358.463 2.387 20 30 FEEDLO C[C@@H](NC(=O)c1ccc(COc2ccc(C#N)cc2)o1)[C@@H]1C[N@H+](C)CCO1 ZINC000156803929 545664772 /nfs/dbraw/zinc/66/47/72/545664772.db2.gz CRVMGLNKHCMKRR-KUHUBIRLSA-N 1 2 369.421 2.179 20 30 FEEDLO C[C@@H](NC(=O)c1ccc(COc2ccc(C#N)cc2)o1)[C@@H]1C[N@@H+](C)CCO1 ZINC000156803929 545664781 /nfs/dbraw/zinc/66/47/81/545664781.db2.gz CRVMGLNKHCMKRR-KUHUBIRLSA-N 1 2 369.421 2.179 20 30 FEEDLO Cn1ncc2c1CCC[C@H]2[N@H+](C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000156939397 545680118 /nfs/dbraw/zinc/68/01/18/545680118.db2.gz KFBCMRGAMTZZIK-QGZVFWFLSA-N 1 2 358.467 2.075 20 30 FEEDLO Cn1ncc2c1CCC[C@H]2[N@@H+](C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000156939397 545680123 /nfs/dbraw/zinc/68/01/23/545680123.db2.gz KFBCMRGAMTZZIK-QGZVFWFLSA-N 1 2 358.467 2.075 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000478209799 561162115 /nfs/dbraw/zinc/16/21/15/561162115.db2.gz MOSUSUYOYJMKRJ-HUUCEWRRSA-N 1 2 361.408 2.430 20 30 FEEDLO N#Cc1cc(S(=O)(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)ccc1Cl ZINC000159306468 545941643 /nfs/dbraw/zinc/94/16/43/545941643.db2.gz MQXTUMSQOQNVNH-CYBMUJFWSA-N 1 2 362.842 2.164 20 30 FEEDLO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCO[C@@](C)(c2cnn(C)c2)C1 ZINC000159417686 545951857 /nfs/dbraw/zinc/95/18/57/545951857.db2.gz WQQFMVSPNNJXDL-PZJWPPBQSA-N 1 2 371.481 2.136 20 30 FEEDLO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCO[C@@](C)(c2cnn(C)c2)C1 ZINC000159417686 545951859 /nfs/dbraw/zinc/95/18/59/545951859.db2.gz WQQFMVSPNNJXDL-PZJWPPBQSA-N 1 2 371.481 2.136 20 30 FEEDLO COc1ccc(C#N)cc1CN1CC[NH+]([C@H](C)C(=O)NC2CCCC2)CC1 ZINC000159838542 545984988 /nfs/dbraw/zinc/98/49/88/545984988.db2.gz JHNKVXOABULPTN-MRXNPFEDSA-N 1 2 370.497 2.132 20 30 FEEDLO Cc1cc(C#N)ccc1C(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000160120941 546009228 /nfs/dbraw/zinc/00/92/28/546009228.db2.gz PUXKRVYNFLZZBN-UHFFFAOYSA-N 1 2 359.433 2.472 20 30 FEEDLO N#Cc1ccc(F)c(CNC(=O)N2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000160435053 546041397 /nfs/dbraw/zinc/04/13/97/546041397.db2.gz REMOSXDHGRTMTK-UHFFFAOYSA-N 1 2 353.401 2.120 20 30 FEEDLO Cn1cc[nH+]c1CN1CCN(C(=O)N[C@@H](CCC#N)c2ccccc2)CC1 ZINC000160559830 546051351 /nfs/dbraw/zinc/05/13/51/546051351.db2.gz GROXJTGWQAJBIP-SFHVURJKSA-N 1 2 366.469 2.292 20 30 FEEDLO CC[C@H](C#N)Oc1cc(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)ccc1OC ZINC000161636956 546132894 /nfs/dbraw/zinc/13/28/94/546132894.db2.gz IHZLINFNCBHRRA-JKSUJKDBSA-N 1 2 368.437 2.451 20 30 FEEDLO CCC(CC)n1ncc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)c1C ZINC000161830371 546133759 /nfs/dbraw/zinc/13/37/59/546133759.db2.gz FJGQLTUHLXGDRF-UHFFFAOYSA-N 1 2 361.490 2.241 20 30 FEEDLO C=CCOCCCC(=O)N1CC[NH+](Cc2ccc(OC)c(F)c2)CC1 ZINC000173106223 546273151 /nfs/dbraw/zinc/27/31/51/546273151.db2.gz RCKSTNOBCSQNRG-UHFFFAOYSA-N 1 2 350.434 2.461 20 30 FEEDLO N#C[C@H](c1ccccc1)N1CC[NH+](CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000174576607 546299460 /nfs/dbraw/zinc/29/94/60/546299460.db2.gz GSXIYAOBYBXXCP-HXUWFJFHSA-N 1 2 374.444 2.165 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1 ZINC000175164592 546307048 /nfs/dbraw/zinc/30/70/48/546307048.db2.gz KOXRFIFOLRCUPY-WIYYLYMNSA-N 1 2 370.497 2.325 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1 ZINC000175164592 546307051 /nfs/dbraw/zinc/30/70/51/546307051.db2.gz KOXRFIFOLRCUPY-WIYYLYMNSA-N 1 2 370.497 2.325 20 30 FEEDLO N#Cc1ccc(OCCNC(=O)NC2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000175582782 546315018 /nfs/dbraw/zinc/31/50/18/546315018.db2.gz KOYRWBJMOITOBX-UHFFFAOYSA-N 1 2 365.437 2.300 20 30 FEEDLO CC(C)N1CCC[C@@H](O[NH+]=C(N)c2ccc(N3CCCCC3)nc2)C1=O ZINC000176861423 546497576 /nfs/dbraw/zinc/49/75/76/546497576.db2.gz IGOUICFSVRMYIY-MRXNPFEDSA-N 1 2 359.474 2.108 20 30 FEEDLO CCn1cnnc1[C@H]1CCC[N@@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000177035575 546529693 /nfs/dbraw/zinc/52/96/93/546529693.db2.gz XDXZCNAPIVQTIM-LSDHHAIUSA-N 1 2 370.482 2.216 20 30 FEEDLO CCn1cnnc1[C@H]1CCC[N@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000177035575 546529697 /nfs/dbraw/zinc/52/96/97/546529697.db2.gz XDXZCNAPIVQTIM-LSDHHAIUSA-N 1 2 370.482 2.216 20 30 FEEDLO CCc1oc(C(=O)OC)cc1C[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000177043344 546531100 /nfs/dbraw/zinc/53/11/00/546531100.db2.gz ANSIOZFMPWWGFU-UHFFFAOYSA-N 1 2 354.410 2.217 20 30 FEEDLO C=CCCCC(=O)Nc1cccc(S(=O)(=O)N2CC[NH+](CC)CC2)c1 ZINC000177498187 546631380 /nfs/dbraw/zinc/63/13/80/546631380.db2.gz XRJMZQYMTKCAOO-UHFFFAOYSA-N 1 2 365.499 2.308 20 30 FEEDLO CC(C)N1CC[C@H](O[NH+]=C(N)c2ccc(OCc3cccnc3)cc2)C1=O ZINC000177571389 546646913 /nfs/dbraw/zinc/64/69/13/546646913.db2.gz PFPRRVIBXUSVQB-SFHVURJKSA-N 1 2 368.437 2.307 20 30 FEEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)/C(C)=C/c2ccccc2Cl)CC1 ZINC000178881514 546865932 /nfs/dbraw/zinc/86/59/32/546865932.db2.gz XXAIDDUQKGSIMM-JQIJEIRASA-N 1 2 373.884 2.027 20 30 FEEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)/C(C)=C/c2ccccc2Cl)CC1 ZINC000178881514 546865935 /nfs/dbraw/zinc/86/59/35/546865935.db2.gz XXAIDDUQKGSIMM-JQIJEIRASA-N 1 2 373.884 2.027 20 30 FEEDLO CCS(=O)(=O)C[C@@H](C)[N@H+](C)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180157998 547059635 /nfs/dbraw/zinc/05/96/35/547059635.db2.gz IRERANDFKZCBMY-CQSZACIVSA-N 1 2 360.483 2.214 20 30 FEEDLO CCS(=O)(=O)C[C@@H](C)[N@@H+](C)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180157998 547059638 /nfs/dbraw/zinc/05/96/38/547059638.db2.gz IRERANDFKZCBMY-CQSZACIVSA-N 1 2 360.483 2.214 20 30 FEEDLO COCCc1noc(C[N@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)n1 ZINC000180185500 547064693 /nfs/dbraw/zinc/06/46/93/547064693.db2.gz QQGNZLVIXFXFGP-UHFFFAOYSA-N 1 2 366.425 2.163 20 30 FEEDLO COCCc1noc(C[N@@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)n1 ZINC000180185500 547064696 /nfs/dbraw/zinc/06/46/96/547064696.db2.gz QQGNZLVIXFXFGP-UHFFFAOYSA-N 1 2 366.425 2.163 20 30 FEEDLO C[C@H](C#N)Oc1ccccc1NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000184345151 547811584 /nfs/dbraw/zinc/81/15/84/547811584.db2.gz LKFBNXNCJZUSAJ-CVEARBPZSA-N 1 2 358.442 2.306 20 30 FEEDLO N#Cc1cccnc1-n1cc(NC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)cn1 ZINC000184616999 547854149 /nfs/dbraw/zinc/85/41/49/547854149.db2.gz AHJYEHLHICMPSX-MRXNPFEDSA-N 1 2 362.397 2.032 20 30 FEEDLO C[C@H](c1cnccn1)[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000184632311 547858172 /nfs/dbraw/zinc/85/81/72/547858172.db2.gz CKPAIVKBYBYKBZ-CYBMUJFWSA-N 1 2 350.382 2.479 20 30 FEEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCO[C@]3(CCOC3)C2)cc1 ZINC000185195571 547949760 /nfs/dbraw/zinc/94/97/60/547949760.db2.gz BCXGXTLXEMIOMB-FXAWDEMLSA-N 1 2 357.454 2.122 20 30 FEEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CCO[C@]3(CCOC3)C2)cc1 ZINC000185195571 547949763 /nfs/dbraw/zinc/94/97/63/547949763.db2.gz BCXGXTLXEMIOMB-FXAWDEMLSA-N 1 2 357.454 2.122 20 30 FEEDLO Cc1nc(N2CCN(C(=O)CSCc3ccc(C#N)cc3)CC2)cc[nH+]1 ZINC000185431331 547983818 /nfs/dbraw/zinc/98/38/18/547983818.db2.gz AQNWCFQCSYQZBO-UHFFFAOYSA-N 1 2 367.478 2.239 20 30 FEEDLO C=C(C)CS(=O)(=O)NCc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000189534964 548304726 /nfs/dbraw/zinc/30/47/26/548304726.db2.gz BJTDWXTYSITPTC-HZPDHXFCSA-N 1 2 352.500 2.291 20 30 FEEDLO C=C(C)CS(=O)(=O)N[C@H](CC)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000189728048 548309639 /nfs/dbraw/zinc/30/96/39/548309639.db2.gz FMRWVBRYGQZWSQ-MSOLQXFVSA-N 1 2 352.500 2.162 20 30 FEEDLO C=C(C)CS(=O)(=O)N[C@H](CC)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000189728048 548309644 /nfs/dbraw/zinc/30/96/44/548309644.db2.gz FMRWVBRYGQZWSQ-MSOLQXFVSA-N 1 2 352.500 2.162 20 30 FEEDLO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000191210392 548342045 /nfs/dbraw/zinc/34/20/45/548342045.db2.gz VWTKJZHSLJHDQL-AYBZRNKSSA-N 1 2 355.438 2.207 20 30 FEEDLO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000191210392 548342048 /nfs/dbraw/zinc/34/20/48/548342048.db2.gz VWTKJZHSLJHDQL-AYBZRNKSSA-N 1 2 355.438 2.207 20 30 FEEDLO CCO[C@H](C)c1noc(CN2CC[NH+](CC#Cc3ccccc3)CC2)n1 ZINC000192044633 548357240 /nfs/dbraw/zinc/35/72/40/548357240.db2.gz SMAYWRGEZOBWTM-QGZVFWFLSA-N 1 2 354.454 2.336 20 30 FEEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCCN(C(=O)c3ccsc3)CC2)cc1 ZINC000194312289 548464285 /nfs/dbraw/zinc/46/42/85/548464285.db2.gz UKRAFOFRTVEXBP-UHFFFAOYSA-N 1 2 368.462 2.406 20 30 FEEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCCN(C(=O)c3ccsc3)CC2)cc1 ZINC000194312289 548464287 /nfs/dbraw/zinc/46/42/87/548464287.db2.gz UKRAFOFRTVEXBP-UHFFFAOYSA-N 1 2 368.462 2.406 20 30 FEEDLO C=CCn1c(=O)c2ccc(C(=O)N[C@H](C[NH3+])CCCC)cc2[nH]c1=S ZINC000236888471 548787366 /nfs/dbraw/zinc/78/73/66/548787366.db2.gz LFHKNTJGXVFZTM-ZDUSSCGKSA-N 1 2 360.483 2.119 20 30 FEEDLO C[N@@H+]1CCO[C@H](C(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)C1 ZINC000245457607 548925774 /nfs/dbraw/zinc/92/57/74/548925774.db2.gz JYNLZHKTYIAQJM-UXHICEINSA-N 1 2 365.433 2.277 20 30 FEEDLO C[N@H+]1CCO[C@H](C(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)C1 ZINC000245457607 548925776 /nfs/dbraw/zinc/92/57/76/548925776.db2.gz JYNLZHKTYIAQJM-UXHICEINSA-N 1 2 365.433 2.277 20 30 FEEDLO C[N@H+](C[C@@H]1COc2ccccc2O1)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000246486844 549144306 /nfs/dbraw/zinc/14/43/06/549144306.db2.gz PDBLHNDRTWJIKP-CABCVRRESA-N 1 2 369.446 2.497 20 30 FEEDLO C[N@@H+](C[C@@H]1COc2ccccc2O1)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000246486844 549144309 /nfs/dbraw/zinc/14/43/09/549144309.db2.gz PDBLHNDRTWJIKP-CABCVRRESA-N 1 2 369.446 2.497 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)NCC[N@@H+]2CCc3ccccc3C2)cc1F ZINC000489130647 561404210 /nfs/dbraw/zinc/40/42/10/561404210.db2.gz OGEWLFXQVQHVTC-UHFFFAOYSA-N 1 2 359.426 2.034 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)NCC[N@H+]2CCc3ccccc3C2)cc1F ZINC000489130647 561404211 /nfs/dbraw/zinc/40/42/11/561404211.db2.gz OGEWLFXQVQHVTC-UHFFFAOYSA-N 1 2 359.426 2.034 20 30 FEEDLO C[C@@H]1CCN(S(=O)(=O)c2c(F)cc(C#N)cc2F)C[C@H]1n1cc[nH+]c1 ZINC000247690913 549372648 /nfs/dbraw/zinc/37/26/48/549372648.db2.gz SPQJJAIJTZNOBI-IAQYHMDHSA-N 1 2 366.393 2.305 20 30 FEEDLO C=C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1 ZINC000489495175 561412772 /nfs/dbraw/zinc/41/27/72/561412772.db2.gz KQBVIYINCNQJII-INIZCTEOSA-N 1 2 365.499 2.224 20 30 FEEDLO C=C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1 ZINC000489495175 561412773 /nfs/dbraw/zinc/41/27/73/561412773.db2.gz KQBVIYINCNQJII-INIZCTEOSA-N 1 2 365.499 2.224 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CC[C@H](C)C[C@H]2C(N)=O)c1 ZINC000249602506 549610411 /nfs/dbraw/zinc/61/04/11/549610411.db2.gz YTCJSYGNEXMZLB-KSSFIOAISA-N 1 2 356.470 2.136 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H](C)C[C@H]2C(N)=O)c1 ZINC000249602506 549610412 /nfs/dbraw/zinc/61/04/12/549610412.db2.gz YTCJSYGNEXMZLB-KSSFIOAISA-N 1 2 356.470 2.136 20 30 FEEDLO Cn1cc[nH+]c1-c1cccc(NC(=O)C(=O)NCC#Cc2ccccc2)c1 ZINC000490175773 561428160 /nfs/dbraw/zinc/42/81/60/561428160.db2.gz HJEACKZJCVMBJU-UHFFFAOYSA-N 1 2 358.401 2.194 20 30 FEEDLO N#Cc1ccccc1N1CCN(C(=O)NCc2cn3ccccc3[nH+]2)CC1 ZINC000263674825 549917059 /nfs/dbraw/zinc/91/70/59/549917059.db2.gz HTXLGJAYQPZGGG-UHFFFAOYSA-N 1 2 360.421 2.238 20 30 FEEDLO C[C@@H](C(=O)Nc1ncccn1)[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000264134984 549983235 /nfs/dbraw/zinc/98/32/35/549983235.db2.gz PHAACEBTEBMPJY-AWEZNQCLSA-N 1 2 351.410 2.219 20 30 FEEDLO COCC[N@H+](CC(=O)NC1(C#N)CCCCC1)Cc1ccc2c(c1)OCO2 ZINC000264766526 550000856 /nfs/dbraw/zinc/00/08/56/550000856.db2.gz VQTSMKCHNICUOC-UHFFFAOYSA-N 1 2 373.453 2.206 20 30 FEEDLO COCC[N@@H+](CC(=O)NC1(C#N)CCCCC1)Cc1ccc2c(c1)OCO2 ZINC000264766526 550000858 /nfs/dbraw/zinc/00/08/58/550000858.db2.gz VQTSMKCHNICUOC-UHFFFAOYSA-N 1 2 373.453 2.206 20 30 FEEDLO CCN(CCC#N)C(=O)C[N@@H+](Cc1ccccc1OC)C[C@@H]1CCCO1 ZINC000264845275 550002339 /nfs/dbraw/zinc/00/23/39/550002339.db2.gz XMSMCYJNFLPJBD-SFHVURJKSA-N 1 2 359.470 2.438 20 30 FEEDLO CCN(CCC#N)C(=O)C[N@H+](Cc1ccccc1OC)C[C@@H]1CCCO1 ZINC000264845275 550002342 /nfs/dbraw/zinc/00/23/42/550002342.db2.gz XMSMCYJNFLPJBD-SFHVURJKSA-N 1 2 359.470 2.438 20 30 FEEDLO CC(=O)Nc1cccc(NC(=O)[C@H](C)O[NH+]=C(N)[C@@H](C)OCC(C)C)c1 ZINC000266187985 550018490 /nfs/dbraw/zinc/01/84/90/550018490.db2.gz HVGCGLDTNWCPDJ-OLZOCXBDSA-N 1 2 364.446 2.322 20 30 FEEDLO Cc1nnc([C@H]2CCC[N@H+](CC(=O)N(CCC#N)c3ccccc3)C2)[nH]1 ZINC000268460819 550070203 /nfs/dbraw/zinc/07/02/03/550070203.db2.gz KWBIOPPIOUUKLP-INIZCTEOSA-N 1 2 352.442 2.239 20 30 FEEDLO Cc1nnc([C@H]2CCC[N@@H+](CC(=O)N(CCC#N)c3ccccc3)C2)[nH]1 ZINC000268460819 550070207 /nfs/dbraw/zinc/07/02/07/550070207.db2.gz KWBIOPPIOUUKLP-INIZCTEOSA-N 1 2 352.442 2.239 20 30 FEEDLO Cc1n[nH]c([C@H]2CCC[N@H+](CC(=O)N(CCC#N)c3ccccc3)C2)n1 ZINC000268460819 550070210 /nfs/dbraw/zinc/07/02/10/550070210.db2.gz KWBIOPPIOUUKLP-INIZCTEOSA-N 1 2 352.442 2.239 20 30 FEEDLO Cc1n[nH]c([C@H]2CCC[N@@H+](CC(=O)N(CCC#N)c3ccccc3)C2)n1 ZINC000268460819 550070213 /nfs/dbraw/zinc/07/02/13/550070213.db2.gz KWBIOPPIOUUKLP-INIZCTEOSA-N 1 2 352.442 2.239 20 30 FEEDLO Cc1nc([C@H]2CCC[N@H+](CC(=O)N(CCC#N)c3ccccc3)C2)n[nH]1 ZINC000268460819 550070216 /nfs/dbraw/zinc/07/02/16/550070216.db2.gz KWBIOPPIOUUKLP-INIZCTEOSA-N 1 2 352.442 2.239 20 30 FEEDLO Cc1nc([C@H]2CCC[N@@H+](CC(=O)N(CCC#N)c3ccccc3)C2)n[nH]1 ZINC000268460819 550070219 /nfs/dbraw/zinc/07/02/19/550070219.db2.gz KWBIOPPIOUUKLP-INIZCTEOSA-N 1 2 352.442 2.239 20 30 FEEDLO NC(=[NH+]OCCC1OCCCO1)c1ccc(OCc2cccnc2)cc1 ZINC000268541532 550084901 /nfs/dbraw/zinc/08/49/01/550084901.db2.gz ZIFJLPFLJWDECM-UHFFFAOYSA-N 1 2 357.410 2.451 20 30 FEEDLO Cn1cc[nH+]c1CN1CCN(Cc2cc(C#N)ccc2Br)CC1 ZINC000492631913 561452067 /nfs/dbraw/zinc/45/20/67/561452067.db2.gz QUDBALDDNVTSGD-UHFFFAOYSA-N 1 2 374.286 2.372 20 30 FEEDLO N#Cc1ccc(CN2CC[NH+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000269671968 550215666 /nfs/dbraw/zinc/21/56/66/550215666.db2.gz OEZIXRTZDUSQGM-HXUWFJFHSA-N 1 2 366.421 2.318 20 30 FEEDLO C#CCOc1ccccc1CNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000269896543 550234394 /nfs/dbraw/zinc/23/43/94/550234394.db2.gz GCQTVPWFFQIUSN-QGZVFWFLSA-N 1 2 350.422 2.172 20 30 FEEDLO CO[C@H](C)c1noc(C[N@@H+]2CCCN(c3nc(C)ccc3C#N)CC2)n1 ZINC000271008754 550331463 /nfs/dbraw/zinc/33/14/63/550331463.db2.gz XFXCPCDYPTUSDD-CQSZACIVSA-N 1 2 356.430 2.064 20 30 FEEDLO CO[C@H](C)c1noc(C[N@H+]2CCCN(c3nc(C)ccc3C#N)CC2)n1 ZINC000271008754 550331464 /nfs/dbraw/zinc/33/14/64/550331464.db2.gz XFXCPCDYPTUSDD-CQSZACIVSA-N 1 2 356.430 2.064 20 30 FEEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+](C)CCNC(=O)C(C)C ZINC000271082033 550338907 /nfs/dbraw/zinc/33/89/07/550338907.db2.gz FPDIVMJMIKJDAC-INIZCTEOSA-N 1 2 374.485 2.034 20 30 FEEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+](C)CCNC(=O)C(C)C ZINC000271082033 550338908 /nfs/dbraw/zinc/33/89/08/550338908.db2.gz FPDIVMJMIKJDAC-INIZCTEOSA-N 1 2 374.485 2.034 20 30 FEEDLO CC1(C#N)CCN(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)CC1 ZINC000272395538 550443684 /nfs/dbraw/zinc/44/36/84/550443684.db2.gz JDSQSSANGBUWCP-SFHVURJKSA-N 1 2 356.470 2.395 20 30 FEEDLO COC[C@](C)(C#N)NC(=O)C1CCN(c2ccc3cccc(O)c3[nH+]2)CC1 ZINC000272713713 550466381 /nfs/dbraw/zinc/46/63/81/550466381.db2.gz FMMOTKKIWSFSHE-FQEVSTJZSA-N 1 2 368.437 2.202 20 30 FEEDLO C[N@H+](Cc1nccs1)[C@@H]1CC12CCN(C(=O)CSCC#N)CC2 ZINC000275752617 550574037 /nfs/dbraw/zinc/57/40/37/550574037.db2.gz QXYRXXYOKXQZBK-CYBMUJFWSA-N 1 2 350.513 2.213 20 30 FEEDLO C[N@@H+](Cc1nccs1)[C@@H]1CC12CCN(C(=O)CSCC#N)CC2 ZINC000275752617 550574038 /nfs/dbraw/zinc/57/40/38/550574038.db2.gz QXYRXXYOKXQZBK-CYBMUJFWSA-N 1 2 350.513 2.213 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)CN1CCC[C@@H]1c1[nH+]c2c(n1C)CCCC2 ZINC000276128449 550577097 /nfs/dbraw/zinc/57/70/97/550577097.db2.gz YEVJFUFGDOXTJI-XLIONFOSSA-N 1 2 357.502 2.490 20 30 FEEDLO C[C@@H]1c2nncn2CC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000276851953 550603080 /nfs/dbraw/zinc/60/30/80/550603080.db2.gz SHTUJSOYJHIAQI-GFCCVEGCSA-N 1 2 370.482 2.495 20 30 FEEDLO C[C@@H]1c2nncn2CC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000276851953 550603082 /nfs/dbraw/zinc/60/30/82/550603082.db2.gz SHTUJSOYJHIAQI-GFCCVEGCSA-N 1 2 370.482 2.495 20 30 FEEDLO COc1cc(C)cc(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)c1C ZINC000278738427 550816630 /nfs/dbraw/zinc/81/66/30/550816630.db2.gz TWPIPNMXNOXTCI-UHFFFAOYSA-N 1 2 360.458 2.392 20 30 FEEDLO CC(C)[C@H](CNC(=O)c1cc(-c2cccc(C#N)c2)no1)[NH+]1CCOCC1 ZINC000279021984 550847588 /nfs/dbraw/zinc/84/75/88/550847588.db2.gz UZNJFSOEADTZEZ-SFHVURJKSA-N 1 2 368.437 2.300 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000280750932 551028359 /nfs/dbraw/zinc/02/83/59/551028359.db2.gz SYHZPONVCAXMMI-QAPCUYQASA-N 1 2 360.458 2.329 20 30 FEEDLO CCOC(=O)[C@@]1(COC)CCC[N@@H+]([C@H](C(=O)OC)c2cccc(C#N)c2)C1 ZINC000281282574 551080975 /nfs/dbraw/zinc/08/09/75/551080975.db2.gz GKJXXAMWNGNFPX-PXNSSMCTSA-N 1 2 374.437 2.064 20 30 FEEDLO CCOC(=O)[C@@]1(COC)CCC[N@H+]([C@H](C(=O)OC)c2cccc(C#N)c2)C1 ZINC000281282574 551080977 /nfs/dbraw/zinc/08/09/77/551080977.db2.gz GKJXXAMWNGNFPX-PXNSSMCTSA-N 1 2 374.437 2.064 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000281314360 551083803 /nfs/dbraw/zinc/08/38/03/551083803.db2.gz IOBKFZUKFXOCIQ-YOEHRIQHSA-N 1 2 356.382 2.492 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000281727617 551135848 /nfs/dbraw/zinc/13/58/48/551135848.db2.gz FRJGLRBBECRNJI-WDSOQIARSA-N 1 2 358.486 2.451 20 30 FEEDLO C=CCN1CC[C@@H]([N@H+](CCO)Cc2cc(Br)ccc2F)C1=O ZINC000281938307 551160191 /nfs/dbraw/zinc/16/01/91/551160191.db2.gz IOYLVQMFICYTID-OAHLLOKOSA-N 1 2 371.250 2.169 20 30 FEEDLO C=CCN1CC[C@@H]([N@@H+](CCO)Cc2cc(Br)ccc2F)C1=O ZINC000281938307 551160192 /nfs/dbraw/zinc/16/01/92/551160192.db2.gz IOYLVQMFICYTID-OAHLLOKOSA-N 1 2 371.250 2.169 20 30 FEEDLO C#C[C@@H](NC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1)C(C)C ZINC000282119663 551183251 /nfs/dbraw/zinc/18/32/51/551183251.db2.gz FKLHRIRQQKOVFF-GOSISDBHSA-N 1 2 356.470 2.047 20 30 FEEDLO C=CCn1c([C@@H](C)CC)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC000282669653 551257799 /nfs/dbraw/zinc/25/77/99/551257799.db2.gz RWHWEBBDQOQQQS-DLBZAZTESA-N 1 2 374.533 2.111 20 30 FEEDLO C=CCCO[C@H](C)C(=O)N1CC[NH+](Cc2cc(OC)ccc2OC)CC1 ZINC000497781732 561508604 /nfs/dbraw/zinc/50/86/04/561508604.db2.gz NIQLLPZLKXGYSQ-MRXNPFEDSA-N 1 2 362.470 2.329 20 30 FEEDLO Cc1nc(CC(N)=[NH+]O[C@H](C)C(=O)N2CCc3sccc3C2)cs1 ZINC000283483331 551374375 /nfs/dbraw/zinc/37/43/75/551374375.db2.gz UAQHRARGAPMZTI-SNVBAGLBSA-N 1 2 364.496 2.318 20 30 FEEDLO C[N@@H+]1CCO[C@H]2CCN(Cc3cn(CCC#N)nc3-c3ccccc3)C[C@H]21 ZINC000284233157 551506771 /nfs/dbraw/zinc/50/67/71/551506771.db2.gz DPKYMUQDNHAIDR-UXHICEINSA-N 1 2 365.481 2.369 20 30 FEEDLO C[N@H+]1CCO[C@H]2CCN(Cc3cn(CCC#N)nc3-c3ccccc3)C[C@H]21 ZINC000284233157 551506773 /nfs/dbraw/zinc/50/67/73/551506773.db2.gz DPKYMUQDNHAIDR-UXHICEINSA-N 1 2 365.481 2.369 20 30 FEEDLO C=CCCCN(C)C(=O)C(=O)N[C@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000284420017 551545402 /nfs/dbraw/zinc/54/54/02/551545402.db2.gz SJFQAHXYFUCBFT-INIZCTEOSA-N 1 2 358.417 2.189 20 30 FEEDLO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCO[C@@]3(CCCOC3)C2)cc1C ZINC000285201255 551719538 /nfs/dbraw/zinc/71/95/38/551719538.db2.gz DBQYMDBWYIRBKL-NRFANRHFSA-N 1 2 371.481 2.432 20 30 FEEDLO Cc1ccc(N(CCC#N)C(=O)C[N@H+]2CCO[C@@]3(CCCOC3)C2)cc1C ZINC000285201255 551719539 /nfs/dbraw/zinc/71/95/39/551719539.db2.gz DBQYMDBWYIRBKL-NRFANRHFSA-N 1 2 371.481 2.432 20 30 FEEDLO C[N@@H+]1CCO[C@@H]([C@@H](NC(=O)c2ccc(C#N)[nH]2)c2ccc(Cl)cc2)C1 ZINC000498818464 561535060 /nfs/dbraw/zinc/53/50/60/561535060.db2.gz DWLFSUQSEOEUOA-SJORKVTESA-N 1 2 358.829 2.341 20 30 FEEDLO C[N@H+]1CCO[C@@H]([C@@H](NC(=O)c2ccc(C#N)[nH]2)c2ccc(Cl)cc2)C1 ZINC000498818464 561535061 /nfs/dbraw/zinc/53/50/61/561535061.db2.gz DWLFSUQSEOEUOA-SJORKVTESA-N 1 2 358.829 2.341 20 30 FEEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCO[C@]2(CCCOC2)C1 ZINC000285453617 551759201 /nfs/dbraw/zinc/75/92/01/551759201.db2.gz YRRUINRLZBBPLZ-FZKQIMNGSA-N 1 2 363.845 2.420 20 30 FEEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCO[C@]2(CCCOC2)C1 ZINC000285453617 551759202 /nfs/dbraw/zinc/75/92/02/551759202.db2.gz YRRUINRLZBBPLZ-FZKQIMNGSA-N 1 2 363.845 2.420 20 30 FEEDLO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(c3ccnc(C#N)c3)C2)CC1 ZINC000286659386 551911697 /nfs/dbraw/zinc/91/16/97/551911697.db2.gz WYSPIJWZBZLUON-QGZVFWFLSA-N 1 2 357.458 2.085 20 30 FEEDLO C=CCOc1ccc(CNC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)cc1 ZINC000286954094 551944494 /nfs/dbraw/zinc/94/44/94/551944494.db2.gz OOBVWGIVGDGODH-FUHWJXTLSA-N 1 2 359.470 2.256 20 30 FEEDLO C#CC[C@H](Cc1ccccc1)NC(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000288185210 552106551 /nfs/dbraw/zinc/10/65/51/552106551.db2.gz OKXOSMRBGQKUDB-LJQANCHMSA-N 1 2 363.465 2.251 20 30 FEEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)N(CCC#N)c2cc(C)cc(C)c2)C1=O ZINC000500023215 561564376 /nfs/dbraw/zinc/56/43/76/561564376.db2.gz HBJZYMYNJWBZIA-LJQANCHMSA-N 1 2 368.481 2.269 20 30 FEEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)N(CCC#N)c2cc(C)cc(C)c2)C1=O ZINC000500023215 561564377 /nfs/dbraw/zinc/56/43/77/561564377.db2.gz HBJZYMYNJWBZIA-LJQANCHMSA-N 1 2 368.481 2.269 20 30 FEEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](C)C(=O)Nc2cc(Cl)ccc2OC)C1=O ZINC000500024167 561564380 /nfs/dbraw/zinc/56/43/80/561564380.db2.gz KOHIKOAHQKJXMH-SWLSCSKDSA-N 1 2 365.861 2.394 20 30 FEEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H](C)C(=O)Nc2cc(Cl)ccc2OC)C1=O ZINC000500024167 561564381 /nfs/dbraw/zinc/56/43/81/561564381.db2.gz KOHIKOAHQKJXMH-SWLSCSKDSA-N 1 2 365.861 2.394 20 30 FEEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2cc(OC)c(O)c(OC)c2)c1 ZINC000289080125 552262915 /nfs/dbraw/zinc/26/29/15/552262915.db2.gz KLHHZVHEFIQYOS-UHFFFAOYSA-N 1 2 354.406 2.461 20 30 FEEDLO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2cc(OC)c(O)c(OC)c2)c1 ZINC000289080125 552262916 /nfs/dbraw/zinc/26/29/16/552262916.db2.gz KLHHZVHEFIQYOS-UHFFFAOYSA-N 1 2 354.406 2.461 20 30 FEEDLO C=CCN1CC[C@H](O[NH+]=C(N)c2ccc(OCc3cccnc3)cc2)C1=O ZINC000289387688 552312535 /nfs/dbraw/zinc/31/25/35/552312535.db2.gz MCQMFAGCYVDUDD-SFHVURJKSA-N 1 2 366.421 2.084 20 30 FEEDLO C=CC[N@@H+](C[C@@H](O)c1ccc(C(F)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000291178956 552596799 /nfs/dbraw/zinc/59/67/99/552596799.db2.gz NZWLDMPZBADBDJ-HUUCEWRRSA-N 1 2 363.401 2.414 20 30 FEEDLO C=CC[N@H+](C[C@@H](O)c1ccc(C(F)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000291178956 552596801 /nfs/dbraw/zinc/59/68/01/552596801.db2.gz NZWLDMPZBADBDJ-HUUCEWRRSA-N 1 2 363.401 2.414 20 30 FEEDLO C=CCOc1ccc(C(=O)N2CC[C@@H]([NH+]3CCOCC3)[C@H]2C)cc1OC ZINC000291395379 552621345 /nfs/dbraw/zinc/62/13/45/552621345.db2.gz IFRPJPUWBZKCMD-NVXWUHKLSA-N 1 2 360.454 2.195 20 30 FEEDLO N#Cc1ccc(O[C@H]2CCN(C(=O)NCCCNc3cccc[nH+]3)C2)nc1 ZINC000291639571 552646378 /nfs/dbraw/zinc/64/63/78/552646378.db2.gz MIGPMGVUQJFCNS-INIZCTEOSA-N 1 2 366.425 2.013 20 30 FEEDLO COc1cc(C[NH+]2CCN(C(=O)CCCC#N)CC2)cc(OC)c1OC ZINC000292221641 552706031 /nfs/dbraw/zinc/70/60/31/552706031.db2.gz SXANLGXLXAQLEA-UHFFFAOYSA-N 1 2 361.442 2.050 20 30 FEEDLO COc1ccc(NC(=O)C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000292345795 552718063 /nfs/dbraw/zinc/71/80/63/552718063.db2.gz XEQUZGAWPSMPGN-KRWDZBQOSA-N 1 2 352.394 2.054 20 30 FEEDLO COc1ccc(NC(=O)C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000292345795 552718064 /nfs/dbraw/zinc/71/80/64/552718064.db2.gz XEQUZGAWPSMPGN-KRWDZBQOSA-N 1 2 352.394 2.054 20 30 FEEDLO C=CCc1ccc(OC[C@@H](O)C[N@H+](C)Cc2nncn2C(C)C)c(OC)c1 ZINC000292533452 552735748 /nfs/dbraw/zinc/73/57/48/552735748.db2.gz XECLFXDZJBAUDK-KRWDZBQOSA-N 1 2 374.485 2.468 20 30 FEEDLO C=CCc1ccc(OC[C@@H](O)C[N@@H+](C)Cc2nncn2C(C)C)c(OC)c1 ZINC000292533452 552735750 /nfs/dbraw/zinc/73/57/50/552735750.db2.gz XECLFXDZJBAUDK-KRWDZBQOSA-N 1 2 374.485 2.468 20 30 FEEDLO C=CCC(C)(C)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000292742277 552754417 /nfs/dbraw/zinc/75/44/17/552754417.db2.gz JTMGHVUATXNKFG-INIZCTEOSA-N 1 2 373.501 2.001 20 30 FEEDLO C=CCC(C)(C)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000292742277 552754419 /nfs/dbraw/zinc/75/44/19/552754419.db2.gz JTMGHVUATXNKFG-INIZCTEOSA-N 1 2 373.501 2.001 20 30 FEEDLO CC(C)[C@H](CNC(=O)c1cnc(C(F)(F)F)c(C#N)c1)[NH+]1CCOCC1 ZINC000293191451 552797598 /nfs/dbraw/zinc/79/75/98/552797598.db2.gz WIZBTSREEVQEPG-AWEZNQCLSA-N 1 2 370.375 2.059 20 30 FEEDLO Cn1cc[nH+]c1[C@@H]1N(S(=O)(=O)Cc2ccc(F)cc2C#N)CC1(C)C ZINC000295193417 552968494 /nfs/dbraw/zinc/96/84/94/552968494.db2.gz DJYYFPNCUNDCJZ-HNNXBMFYSA-N 1 2 362.430 2.344 20 30 FEEDLO C[C@@H]1CCN(S(=O)(=O)Cc2ccc(F)cc2C#N)C[C@@H]1n1cc[nH+]c1 ZINC000296377243 553150150 /nfs/dbraw/zinc/15/01/50/553150150.db2.gz RUNYYQIMRUTTMA-DYVFJYSZSA-N 1 2 362.430 2.307 20 30 FEEDLO Cc1cc(NCCNC(=O)COc2ccccc2C#N)nc(C(C)C)[nH+]1 ZINC000600365328 553257137 /nfs/dbraw/zinc/25/71/37/553257137.db2.gz IYRDIIKGDWTUKP-UHFFFAOYSA-N 1 2 353.426 2.387 20 30 FEEDLO COC(=O)C1CC[NH+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2OC)CC1 ZINC000298087859 553382365 /nfs/dbraw/zinc/38/23/65/553382365.db2.gz PTSGUBDMMOMUOT-HNNXBMFYSA-N 1 2 373.453 2.215 20 30 FEEDLO N#CC[C@@H]1CC[C@H](NC(=O)N2CC[NH+](CCOc3ccccc3)CC2)C1 ZINC000298330250 553413306 /nfs/dbraw/zinc/41/33/06/553413306.db2.gz FLUTUCKKBQTMRT-ROUUACIJSA-N 1 2 356.470 2.475 20 30 FEEDLO COc1cc(C[N@H+](C)CC(=O)NCc2ccc(C#N)cc2)cc(OC)c1 ZINC000299139588 553520469 /nfs/dbraw/zinc/52/04/69/553520469.db2.gz RRURLBAUXIBUKF-UHFFFAOYSA-N 1 2 353.422 2.324 20 30 FEEDLO COc1cc(C[N@@H+](C)CC(=O)NCc2ccc(C#N)cc2)cc(OC)c1 ZINC000299139588 553520471 /nfs/dbraw/zinc/52/04/71/553520471.db2.gz RRURLBAUXIBUKF-UHFFFAOYSA-N 1 2 353.422 2.324 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Cc3[nH]nc4ccccc43)CC2)cc1 ZINC000299190307 553527561 /nfs/dbraw/zinc/52/75/61/553527561.db2.gz GGYKRVFYDOYOAQ-UHFFFAOYSA-N 1 2 359.433 2.321 20 30 FEEDLO COc1ccc(C(=O)N2CC[NH+]([C@@H](C)CCC#N)CC2)c(OC)c1OC ZINC000299448861 553564821 /nfs/dbraw/zinc/56/48/21/553564821.db2.gz YXRYZIXVFGTYKV-AWEZNQCLSA-N 1 2 361.442 2.162 20 30 FEEDLO N#Cc1cccc(N2CCN(C(=O)c3cccc(Cn4cc[nH+]c4)c3)CC2)n1 ZINC000504923281 561664118 /nfs/dbraw/zinc/66/41/18/561664118.db2.gz HOLHYGCVYXILDW-UHFFFAOYSA-N 1 2 372.432 2.160 20 30 FEEDLO CC(C)c1nc(N2CCN(c3cccc(F)c3C#N)CC2)nc(N(C)C)[nH+]1 ZINC000301939544 553693230 /nfs/dbraw/zinc/69/32/30/553693230.db2.gz TUZJOBRDODKCAC-UHFFFAOYSA-N 1 2 369.448 2.398 20 30 FEEDLO CC(C)c1nc(N(C)C)nc(N2CCN(c3cccc(F)c3C#N)CC2)[nH+]1 ZINC000301939544 553693232 /nfs/dbraw/zinc/69/32/32/553693232.db2.gz TUZJOBRDODKCAC-UHFFFAOYSA-N 1 2 369.448 2.398 20 30 FEEDLO Cc1ccc(N2CC[NH+](Cc3nc(N)c4ccccc4n3)CC2)nc1C#N ZINC000302702204 553727033 /nfs/dbraw/zinc/72/70/33/553727033.db2.gz IQDDWWHJWAKFCA-UHFFFAOYSA-N 1 2 359.437 2.109 20 30 FEEDLO O=C(C[NH+]1CCC(S(=O)(=O)N2CCCC2)CC1)NC1CCCCC1 ZINC000328656148 553802958 /nfs/dbraw/zinc/80/29/58/553802958.db2.gz NNGLXSCKCSVBET-UHFFFAOYSA-N 1 2 357.520 2.166 20 30 FEEDLO O=C(NC[C@@H]1CCC2(CCOCC2)[C@@H]1O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000328711503 553810743 /nfs/dbraw/zinc/81/07/43/553810743.db2.gz RKQQWLYIHYQECY-RYQLBKOJSA-N 1 2 366.502 2.154 20 30 FEEDLO O=C(NC[C@@H]1CCC2(CCOCC2)[C@@H]1O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000328711503 553810744 /nfs/dbraw/zinc/81/07/44/553810744.db2.gz RKQQWLYIHYQECY-RYQLBKOJSA-N 1 2 366.502 2.154 20 30 FEEDLO C[N@@H+]1CCN(S(=O)(=O)c2cccc(C#N)c2)C[C@H]1Cc1ccccc1 ZINC000328868766 553835793 /nfs/dbraw/zinc/83/57/93/553835793.db2.gz HJHXZTUQAAANLE-GOSISDBHSA-N 1 2 355.463 2.106 20 30 FEEDLO C[N@H+]1CCN(S(=O)(=O)c2cccc(C#N)c2)C[C@H]1Cc1ccccc1 ZINC000328868766 553835796 /nfs/dbraw/zinc/83/57/96/553835796.db2.gz HJHXZTUQAAANLE-GOSISDBHSA-N 1 2 355.463 2.106 20 30 FEEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)NC[C@H]3CCO[C@@H]3c3ccccc3)C[C@H]21 ZINC000328899829 553841420 /nfs/dbraw/zinc/84/14/20/553841420.db2.gz XRXSIFIYSADWJN-NCXUSEDFSA-N 1 2 359.470 2.083 20 30 FEEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)NC[C@H]3CCO[C@@H]3c3ccccc3)C[C@H]21 ZINC000328899829 553841422 /nfs/dbraw/zinc/84/14/22/553841422.db2.gz XRXSIFIYSADWJN-NCXUSEDFSA-N 1 2 359.470 2.083 20 30 FEEDLO N#Cc1cccc(F)c1CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000506040302 561688131 /nfs/dbraw/zinc/68/81/31/561688131.db2.gz MDQAKGVNQOYMFV-UHFFFAOYSA-N 1 2 367.424 2.388 20 30 FEEDLO CC(C)n1nccc1[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000329047155 553871497 /nfs/dbraw/zinc/87/14/97/553871497.db2.gz VIMIMVRTHHVVGB-ZMSDIMECSA-N 1 2 350.463 2.219 20 30 FEEDLO CC(C)n1nccc1[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000329047155 553871499 /nfs/dbraw/zinc/87/14/99/553871499.db2.gz VIMIMVRTHHVVGB-ZMSDIMECSA-N 1 2 350.463 2.219 20 30 FEEDLO Cc1cccc2[nH+]c(CNC(=O)N[C@@H]3CCOC4(CCOCC4)C3)cn21 ZINC000329229204 553906950 /nfs/dbraw/zinc/90/69/50/553906950.db2.gz CKHFVDXIIRUFMT-OAHLLOKOSA-N 1 2 358.442 2.375 20 30 FEEDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)Nc2cccc3c2OCO3)CC1 ZINC000329259484 553912752 /nfs/dbraw/zinc/91/27/52/553912752.db2.gz AOOMBWSAEJBGTD-LBPRGKRZSA-N 1 2 360.414 2.086 20 30 FEEDLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)N1CCOC[C@@H]1[C@H]1CCCO1 ZINC000329303958 553922015 /nfs/dbraw/zinc/92/20/15/553922015.db2.gz XAWXTMLTZLXPDJ-QZTJIDSGSA-N 1 2 374.416 2.305 20 30 FEEDLO CN(C(=O)N[C@@H](c1[nH+]ccn1C)C1CCOCC1)[C@@H]1CCCC[C@H]1O ZINC000329311775 553923092 /nfs/dbraw/zinc/92/30/92/553923092.db2.gz GIRCXDFUNPYKHL-BZUAXINKSA-N 1 2 350.463 2.037 20 30 FEEDLO COc1ccccc1N1CC[C@@H](NC(=O)C2([NH+]3CCOCC3)CCC2)C1 ZINC000329334102 553926977 /nfs/dbraw/zinc/92/69/77/553926977.db2.gz NUIPZLMXCGHVSH-MRXNPFEDSA-N 1 2 359.470 2.485 20 30 FEEDLO Cc1noc(C)c1C[NH+]1CCN(C(=O)Cc2c(F)cccc2C#N)CC1 ZINC000506511849 561700562 /nfs/dbraw/zinc/70/05/62/561700562.db2.gz QYGHBGREFUTQHS-UHFFFAOYSA-N 1 2 356.401 2.189 20 30 FEEDLO O=C(NCc1ccccc1)NC1(C(=O)N2CCn3cc[nH+]c3C2)CCCC1 ZINC000329335682 553927628 /nfs/dbraw/zinc/92/76/28/553927628.db2.gz LHCYUKYQFLTEJO-UHFFFAOYSA-N 1 2 367.453 2.242 20 30 FEEDLO CCn1cc[nH+]c1[C@H](NC(=O)N1CCC[C@](C)(O)C1)C1CCOCC1 ZINC000329345806 553929216 /nfs/dbraw/zinc/92/92/16/553929216.db2.gz RBFGVWMVUGZXBI-QAPCUYQASA-N 1 2 350.463 2.132 20 30 FEEDLO C[C@H](NC(=O)N1CCC[N@H+](Cc2cscn2)CC1)[C@@H]1CCCOC1 ZINC000329389863 553937030 /nfs/dbraw/zinc/93/70/30/553937030.db2.gz SAOVKGTZXWIBCP-LSDHHAIUSA-N 1 2 352.504 2.380 20 30 FEEDLO C[C@H](NC(=O)N1CCC[N@@H+](Cc2cscn2)CC1)[C@@H]1CCCOC1 ZINC000329389863 553937034 /nfs/dbraw/zinc/93/70/34/553937034.db2.gz SAOVKGTZXWIBCP-LSDHHAIUSA-N 1 2 352.504 2.380 20 30 FEEDLO CC[C@H]1CCCCN1C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000329456519 553950241 /nfs/dbraw/zinc/95/02/41/553950241.db2.gz QEDXEKVJFOESNP-INIZCTEOSA-N 1 2 359.474 2.279 20 30 FEEDLO CC1(C)C[N@H+](CCNC(=O)N2CCO[C@@H](C3CCCCC3)C2)CCO1 ZINC000329475125 553953673 /nfs/dbraw/zinc/95/36/73/553953673.db2.gz BRGLGVBBOWRUPE-QGZVFWFLSA-N 1 2 353.507 2.292 20 30 FEEDLO CC1(C)C[N@@H+](CCNC(=O)N2CCO[C@@H](C3CCCCC3)C2)CCO1 ZINC000329475125 553953677 /nfs/dbraw/zinc/95/36/77/553953677.db2.gz BRGLGVBBOWRUPE-QGZVFWFLSA-N 1 2 353.507 2.292 20 30 FEEDLO [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CCc2c(ncn2-c2ccccc2)C1 ZINC000329732244 553996578 /nfs/dbraw/zinc/99/65/78/553996578.db2.gz IRLKFDDCDQIQOD-CQSZACIVSA-N 1 2 362.437 2.425 20 30 FEEDLO C[C@H](c1nccs1)N1CCN(C([O-])=[NH+][C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000329737935 553997785 /nfs/dbraw/zinc/99/77/85/553997785.db2.gz MOAPBSKWTUJKIZ-OLZOCXBDSA-N 1 2 360.487 2.016 20 30 FEEDLO C[C@H](c1nccs1)N1CCN(C([O-])=[NH+][C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000329737935 553997787 /nfs/dbraw/zinc/99/77/87/553997787.db2.gz MOAPBSKWTUJKIZ-OLZOCXBDSA-N 1 2 360.487 2.016 20 30 FEEDLO Cn1cc[nH+]c1[C@H](NC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1)C1CC1 ZINC000507389922 561727953 /nfs/dbraw/zinc/72/79/53/561727953.db2.gz DDFJCAMMRHLABS-CQSZACIVSA-N 1 2 357.801 2.151 20 30 FEEDLO COCC(=O)N1CCc2c1cccc2NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000329835338 554014731 /nfs/dbraw/zinc/01/47/31/554014731.db2.gz LKMGNWNWUJXVFD-ZDUSSCGKSA-N 1 2 354.410 2.269 20 30 FEEDLO Cc1nsc(N2CC[NH+](CC(=O)N([C@H](C)C3CC3)C3CC3)CC2)c1C#N ZINC000329845230 554017840 /nfs/dbraw/zinc/01/78/40/554017840.db2.gz ONICUSFLECAJRK-CQSZACIVSA-N 1 2 373.526 2.235 20 30 FEEDLO CS(=O)(=O)N1CCc2c1cccc2NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000329860626 554020955 /nfs/dbraw/zinc/02/09/55/554020955.db2.gz XMRSCGOFUCGMPL-LBPRGKRZSA-N 1 2 360.439 2.056 20 30 FEEDLO Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1CNC(=O)NC[C@@H]1CCCCS1 ZINC000329951443 554038198 /nfs/dbraw/zinc/03/81/98/554038198.db2.gz CPUUPNYOJJTCOM-KKUMJFAQSA-N 1 2 369.510 2.122 20 30 FEEDLO Cn1cc[nH+]c1[C@H]1CN(C(=O)N[C@@H]2CCOc3ccccc32)CCN1C ZINC000329966632 554040449 /nfs/dbraw/zinc/04/04/49/554040449.db2.gz RXUHYOFPDRIBOG-HZPDHXFCSA-N 1 2 355.442 2.146 20 30 FEEDLO Cn1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CNC(=O)NC[C@@H]2CCCCS2)cn1 ZINC000329985833 554044473 /nfs/dbraw/zinc/04/44/73/554044473.db2.gz RJOFWJSSIVKMCM-JYJNAYRXSA-N 1 2 369.510 2.122 20 30 FEEDLO Cn1cc(C[N@H+]2C[C@@H](F)C[C@H]2CNC(=O)NC[C@@H]2CCCCS2)cn1 ZINC000329985833 554044474 /nfs/dbraw/zinc/04/44/74/554044474.db2.gz RJOFWJSSIVKMCM-JYJNAYRXSA-N 1 2 369.510 2.122 20 30 FEEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)Nc3cccc(Cl)c3-n3cccn3)C[C@H]21 ZINC000329989882 554045296 /nfs/dbraw/zinc/04/52/96/554045296.db2.gz VPHPAGQLJANPEA-CABCVRRESA-N 1 2 361.833 2.086 20 30 FEEDLO C[N@H+]1CCO[C@H]2CN(C(=O)Nc3cccc(Cl)c3-n3cccn3)C[C@H]21 ZINC000329989882 554045301 /nfs/dbraw/zinc/04/53/01/554045301.db2.gz VPHPAGQLJANPEA-CABCVRRESA-N 1 2 361.833 2.086 20 30 FEEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)[C@@H]1CCO[C@H]1c1ccnn1C ZINC000330144360 554073487 /nfs/dbraw/zinc/07/34/87/554073487.db2.gz RRLMNEHLNIATLY-RDTXWAMCSA-N 1 2 371.441 2.326 20 30 FEEDLO C[C@@H]1C[N@H+](CC(=O)NC[C@@H]2Cc3ccccc3O2)C[C@]2(CCCOC2)O1 ZINC000330144225 554073602 /nfs/dbraw/zinc/07/36/02/554073602.db2.gz ZLHCKJWJQFYAJA-SYNHAJSKSA-N 1 2 360.454 2.217 20 30 FEEDLO C[C@@H]1C[N@@H+](CC(=O)NC[C@@H]2Cc3ccccc3O2)C[C@]2(CCCOC2)O1 ZINC000330144225 554073606 /nfs/dbraw/zinc/07/36/06/554073606.db2.gz ZLHCKJWJQFYAJA-SYNHAJSKSA-N 1 2 360.454 2.217 20 30 FEEDLO CN(C)c1[nH+]cccc1O[C@@H]1CCN(C(=O)N[C@@H]2CCCSC2)C1 ZINC000330205068 554084822 /nfs/dbraw/zinc/08/48/22/554084822.db2.gz DDCVYSGUCHMYJS-ZIAGYGMSSA-N 1 2 350.488 2.410 20 30 FEEDLO C=CCCc1ccccc1NC(=O)C(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000507753601 561739939 /nfs/dbraw/zinc/73/99/39/561739939.db2.gz IAKFHLCGAWRWIF-WMZOPIPTSA-N 1 2 371.481 2.065 20 30 FEEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)CCO1 ZINC000330318592 554104609 /nfs/dbraw/zinc/10/46/09/554104609.db2.gz CMGLULGJKZGFGC-YSLLHCQFSA-N 1 2 364.471 2.051 20 30 FEEDLO CS[C@@H]1CCC[C@H](NC(=O)N2CCN(C)[C@H](c3[nH+]ccn3C)C2)C1 ZINC000330321281 554105108 /nfs/dbraw/zinc/10/51/08/554105108.db2.gz FVOJRRFURNZZIS-ZNMIVQPWSA-N 1 2 351.520 2.297 20 30 FEEDLO CC(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000330327661 554106056 /nfs/dbraw/zinc/10/60/56/554106056.db2.gz LBLRQWSDEJJGFD-JHNDHUHGSA-N 1 2 350.463 2.205 20 30 FEEDLO N#CCC1(CNC(=O)N2CCN(Cc3cn4ccccc4[nH+]3)CC2)CC1 ZINC000330344644 554108947 /nfs/dbraw/zinc/10/89/47/554108947.db2.gz DEQMEVDACBQPSO-UHFFFAOYSA-N 1 2 352.442 2.060 20 30 FEEDLO Cc1ccc(NC(=O)NC(=O)C[N@@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)c(C)c1 ZINC000330670985 554154673 /nfs/dbraw/zinc/15/46/73/554154673.db2.gz DWNOZYHATWRGAP-DZGCQCFKSA-N 1 2 373.375 2.353 20 30 FEEDLO Cc1ccc(NC(=O)NC(=O)C[N@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)c(C)c1 ZINC000330670985 554154676 /nfs/dbraw/zinc/15/46/76/554154676.db2.gz DWNOZYHATWRGAP-DZGCQCFKSA-N 1 2 373.375 2.353 20 30 FEEDLO C[C@@H](C(=O)NC(=O)NC(C)(C)C)[NH+]1CCN(c2cccc(F)c2F)CC1 ZINC000330793426 554172286 /nfs/dbraw/zinc/17/22/86/554172286.db2.gz CJFXYDKEOLJTEH-LBPRGKRZSA-N 1 2 368.428 2.304 20 30 FEEDLO CC(C)Oc1c(F)cc(NC(=O)NC[C@H]2CN(C)CC[N@@H+]2C)cc1F ZINC000330806597 554174296 /nfs/dbraw/zinc/17/42/96/554174296.db2.gz HREBLXQFXIDHDU-ZDUSSCGKSA-N 1 2 356.417 2.324 20 30 FEEDLO CC(C)Oc1c(F)cc(NC(=O)NC[C@H]2CN(C)CC[N@H+]2C)cc1F ZINC000330806597 554174297 /nfs/dbraw/zinc/17/42/97/554174297.db2.gz HREBLXQFXIDHDU-ZDUSSCGKSA-N 1 2 356.417 2.324 20 30 FEEDLO CCN(CC(C)(C)O)C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000330942460 554192060 /nfs/dbraw/zinc/19/20/60/554192060.db2.gz ZMRANJFRVMPGJW-GJZGRUSLSA-N 1 2 364.490 2.202 20 30 FEEDLO CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC000331210758 554231649 /nfs/dbraw/zinc/23/16/49/554231649.db2.gz IFASSGHXMDGTOG-RKPUJPDHSA-N 1 2 373.563 2.023 20 30 FEEDLO CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)C1 ZINC000331210758 554231651 /nfs/dbraw/zinc/23/16/51/554231651.db2.gz IFASSGHXMDGTOG-RKPUJPDHSA-N 1 2 373.563 2.023 20 30 FEEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+]2C[C@@H](C)[C@H](O)C2)c1C#N ZINC000509050304 561782854 /nfs/dbraw/zinc/78/28/54/561782854.db2.gz VSBUTHNYVYDAAF-AUUYWEPGSA-N 1 2 366.465 2.276 20 30 FEEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+]2C[C@@H](C)[C@H](O)C2)c1C#N ZINC000509050304 561782856 /nfs/dbraw/zinc/78/28/56/561782856.db2.gz VSBUTHNYVYDAAF-AUUYWEPGSA-N 1 2 366.465 2.276 20 30 FEEDLO CC1(C)CC[C@H](CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)O1 ZINC000331837680 554327732 /nfs/dbraw/zinc/32/77/32/554327732.db2.gz ACMKLJLJNYZZNI-GOSISDBHSA-N 1 2 356.470 2.343 20 30 FEEDLO Cc1oc(C#N)cc1C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000331839482 554328088 /nfs/dbraw/zinc/32/80/88/554328088.db2.gz CZFCXEGWEHVDSH-STQMWFEESA-N 1 2 354.410 2.398 20 30 FEEDLO Cc1cc[nH+]cc1N1CCN(S(=O)(=O)c2ccc(C#N)c(C)c2)CC1 ZINC000332332415 554427146 /nfs/dbraw/zinc/42/71/46/554427146.db2.gz CBFLXKGPTOWPQA-UHFFFAOYSA-N 1 2 356.451 2.081 20 30 FEEDLO Cn1cc[nH+]c1[C@@H](NS(=O)(=O)c1ccc(C#N)cc1Cl)C1CC1 ZINC000510459741 561835260 /nfs/dbraw/zinc/83/52/60/561835260.db2.gz LDGAUKANJAZHKR-AWEZNQCLSA-N 1 2 350.831 2.375 20 30 FEEDLO Cn1cc[nH+]c1[C@H](NS(=O)(=O)c1ccc(C#N)c(Cl)c1)C1CC1 ZINC000510447702 561834677 /nfs/dbraw/zinc/83/46/77/561834677.db2.gz MTSRZTJBHYYQDS-CQSZACIVSA-N 1 2 350.831 2.375 20 30 FEEDLO Cn1nccc1[C@H]1CCC[N@@H+]([C@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000333156666 554581143 /nfs/dbraw/zinc/58/11/43/554581143.db2.gz MRBLCPIDDWVVSN-HOCLYGCPSA-N 1 2 355.467 2.338 20 30 FEEDLO Cn1nccc1[C@H]1CCC[N@H+]([C@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000333156666 554581146 /nfs/dbraw/zinc/58/11/46/554581146.db2.gz MRBLCPIDDWVVSN-HOCLYGCPSA-N 1 2 355.467 2.338 20 30 FEEDLO N#CC1(F)CC[NH+](CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)CC1 ZINC000510872438 561848955 /nfs/dbraw/zinc/84/89/55/561848955.db2.gz NKYJOJFAAUOGLY-MRXNPFEDSA-N 1 2 373.428 2.449 20 30 FEEDLO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000510847430 561848402 /nfs/dbraw/zinc/84/84/02/561848402.db2.gz YXLAZGIDPJWRCM-QGZVFWFLSA-N 1 2 358.486 2.447 20 30 FEEDLO Cc1cc(=NC(=O)NCCc2cn3cccc(C)c3[nH+]2)[nH]n1CCC#N ZINC000611481771 554636805 /nfs/dbraw/zinc/63/68/05/554636805.db2.gz CZIQTWVEMHGEJY-UHFFFAOYSA-N 1 2 351.414 2.426 20 30 FEEDLO C=CCC(F)(F)c1nc(-c2ccc(C(=O)N3CC[NH+](C)CC3)nc2)no1 ZINC000349676162 554736810 /nfs/dbraw/zinc/73/68/10/554736810.db2.gz HKCJUHSKUSZTCQ-UHFFFAOYSA-N 1 2 363.368 2.187 20 30 FEEDLO CN(C[C@H]1CCC[N@H+](CC#Cc2ccccc2Cl)C1)S(C)(=O)=O ZINC000511126060 561858228 /nfs/dbraw/zinc/85/82/28/561858228.db2.gz PFUXFYLPOQRTOF-OAHLLOKOSA-N 1 2 354.903 2.295 20 30 FEEDLO CN(C[C@H]1CCC[N@@H+](CC#Cc2ccccc2Cl)C1)S(C)(=O)=O ZINC000511126060 561858230 /nfs/dbraw/zinc/85/82/30/561858230.db2.gz PFUXFYLPOQRTOF-OAHLLOKOSA-N 1 2 354.903 2.295 20 30 FEEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)[C@@H]1CCN(C)C1=O ZINC000511587423 561873567 /nfs/dbraw/zinc/87/35/67/561873567.db2.gz WERFMNRAFAMQOA-UKRRQHHQSA-N 1 2 360.483 2.039 20 30 FEEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC000511587423 561873568 /nfs/dbraw/zinc/87/35/68/561873568.db2.gz WERFMNRAFAMQOA-UKRRQHHQSA-N 1 2 360.483 2.039 20 30 FEEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCCN(c3ncccn3)CC2)cc1Cl ZINC000362864281 554994690 /nfs/dbraw/zinc/99/46/90/554994690.db2.gz OADBRACNWQQKSP-UHFFFAOYSA-N 1 2 370.844 2.152 20 30 FEEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCCN(c3ncccn3)CC2)cc1Cl ZINC000362864281 554994691 /nfs/dbraw/zinc/99/46/91/554994691.db2.gz OADBRACNWQQKSP-UHFFFAOYSA-N 1 2 370.844 2.152 20 30 FEEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1[C@H](C(N)=O)C[C@@H]2CCCC[C@@H]21 ZINC000363175994 555046047 /nfs/dbraw/zinc/04/60/47/555046047.db2.gz DGTKWLWGRKMLOL-UVBJJODRSA-N 1 2 360.845 2.269 20 30 FEEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1[C@H](C(N)=O)C[C@@H]2CCCC[C@@H]21 ZINC000363175994 555046051 /nfs/dbraw/zinc/04/60/51/555046051.db2.gz DGTKWLWGRKMLOL-UVBJJODRSA-N 1 2 360.845 2.269 20 30 FEEDLO C=C(C)C[N@H+](CC(=O)NC(=O)NCc1ccccc1)Cc1ccc(CO)o1 ZINC000512153009 561894257 /nfs/dbraw/zinc/89/42/57/561894257.db2.gz QGBUOMIZZIPLJA-UHFFFAOYSA-N 1 2 371.437 2.176 20 30 FEEDLO C=C(C)C[N@@H+](CC(=O)NC(=O)NCc1ccccc1)Cc1ccc(CO)o1 ZINC000512153009 561894259 /nfs/dbraw/zinc/89/42/59/561894259.db2.gz QGBUOMIZZIPLJA-UHFFFAOYSA-N 1 2 371.437 2.176 20 30 FEEDLO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCc3[nH]nc(C(F)(F)F)c3C2)cc1 ZINC000364366845 555300244 /nfs/dbraw/zinc/30/02/44/555300244.db2.gz QKHTWGIEZOJSRS-GFCCVEGCSA-N 1 2 366.343 2.098 20 30 FEEDLO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCc3[nH]nc(C(F)(F)F)c3C2)cc1 ZINC000364366845 555300246 /nfs/dbraw/zinc/30/02/46/555300246.db2.gz QKHTWGIEZOJSRS-GFCCVEGCSA-N 1 2 366.343 2.098 20 30 FEEDLO CC[C@H](C#N)Oc1cc(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)ccc1OC ZINC000364913110 555435459 /nfs/dbraw/zinc/43/54/59/555435459.db2.gz DRSAWEUEERDNMD-HZPDHXFCSA-N 1 2 368.437 2.451 20 30 FEEDLO COCc1nccc([C@@H]2CCC[N@H+](CC(=O)NC3(C#N)CCCCC3)C2)n1 ZINC000365297726 555535318 /nfs/dbraw/zinc/53/53/18/555535318.db2.gz ICAYQSPWJYYTGC-MRXNPFEDSA-N 1 2 371.485 2.145 20 30 FEEDLO COCc1nccc([C@@H]2CCC[N@@H+](CC(=O)NC3(C#N)CCCCC3)C2)n1 ZINC000365297726 555535321 /nfs/dbraw/zinc/53/53/21/555535321.db2.gz ICAYQSPWJYYTGC-MRXNPFEDSA-N 1 2 371.485 2.145 20 30 FEEDLO C=CC[C@H]1N(C(=O)c2cnn(CC[NH+]3CCOCC3)c2)CCCC1(C)C ZINC000365597985 555619328 /nfs/dbraw/zinc/61/93/28/555619328.db2.gz JRKUTKABESDTQH-GOSISDBHSA-N 1 2 360.502 2.422 20 30 FEEDLO Cc1sc(NC(=O)C[N@@H+]2[C@H](C(N)=O)C[C@@H]3CCCC[C@@H]32)c(C#N)c1C ZINC000365885790 555692373 /nfs/dbraw/zinc/69/23/73/555692373.db2.gz PAXNBRMTQPGYDP-QEJZJMRPSA-N 1 2 360.483 2.294 20 30 FEEDLO Cc1sc(NC(=O)C[N@H+]2[C@H](C(N)=O)C[C@@H]3CCCC[C@@H]32)c(C#N)c1C ZINC000365885790 555692374 /nfs/dbraw/zinc/69/23/74/555692374.db2.gz PAXNBRMTQPGYDP-QEJZJMRPSA-N 1 2 360.483 2.294 20 30 FEEDLO CC(=O)c1ccc2c(c1)CC[N@@H+](CC(=O)NCc1cccc(C#N)c1)CC2 ZINC000366742579 555923110 /nfs/dbraw/zinc/92/31/10/555923110.db2.gz XIYFZFRKTFQGOF-UHFFFAOYSA-N 1 2 361.445 2.478 20 30 FEEDLO CC(=O)c1ccc2c(c1)CC[N@H+](CC(=O)NCc1cccc(C#N)c1)CC2 ZINC000366742579 555923112 /nfs/dbraw/zinc/92/31/12/555923112.db2.gz XIYFZFRKTFQGOF-UHFFFAOYSA-N 1 2 361.445 2.478 20 30 FEEDLO N#Cc1c(Cl)cccc1S(=O)(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000366744477 555923394 /nfs/dbraw/zinc/92/33/94/555923394.db2.gz OZSHZHZPSIABAH-UHFFFAOYSA-N 1 2 350.831 2.434 20 30 FEEDLO Cn1cc(C[N@@H+]2CCO[C@H](C(=O)C3CC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000514211727 561963865 /nfs/dbraw/zinc/96/38/65/561963865.db2.gz WLDWEDMQWZVIEA-SFHVURJKSA-N 1 2 350.422 2.139 20 30 FEEDLO Cn1cc(C[N@H+]2CCO[C@H](C(=O)C3CC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000514211727 561963866 /nfs/dbraw/zinc/96/38/66/561963866.db2.gz WLDWEDMQWZVIEA-SFHVURJKSA-N 1 2 350.422 2.139 20 30 FEEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1C[C@@H](C)O[C@@]2(CCO[C@H](C)C2)C1 ZINC000366794436 555935593 /nfs/dbraw/zinc/93/55/93/555935593.db2.gz VPDLCDSXVIXUQO-PDOICOKGSA-N 1 2 363.502 2.376 20 30 FEEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1C[C@@H](C)O[C@@]2(CCO[C@H](C)C2)C1 ZINC000366794436 555935596 /nfs/dbraw/zinc/93/55/96/555935596.db2.gz VPDLCDSXVIXUQO-PDOICOKGSA-N 1 2 363.502 2.376 20 30 FEEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1C[C@H](C)O[C@@]2(CCO[C@H](C)C2)C1 ZINC000366794435 555935918 /nfs/dbraw/zinc/93/59/18/555935918.db2.gz VPDLCDSXVIXUQO-NHAYFPRASA-N 1 2 363.502 2.376 20 30 FEEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1C[C@H](C)O[C@@]2(CCO[C@H](C)C2)C1 ZINC000366794435 555935922 /nfs/dbraw/zinc/93/59/22/555935922.db2.gz VPDLCDSXVIXUQO-NHAYFPRASA-N 1 2 363.502 2.376 20 30 FEEDLO CN(C)c1ncnc(Cl)c1C[N@@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000367287224 556008765 /nfs/dbraw/zinc/00/87/65/556008765.db2.gz HGZQGHFNDUNIMC-UHFFFAOYSA-N 1 2 371.876 2.175 20 30 FEEDLO CN(C)c1ncnc(Cl)c1C[N@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000367287224 556008767 /nfs/dbraw/zinc/00/87/67/556008767.db2.gz HGZQGHFNDUNIMC-UHFFFAOYSA-N 1 2 371.876 2.175 20 30 FEEDLO C[C@@H]1C[C@@H](c2cccnc2)[N@@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000367360728 556027723 /nfs/dbraw/zinc/02/77/23/556027723.db2.gz KDTPNJQZIPFZKG-PBHICJAKSA-N 1 2 356.451 2.205 20 30 FEEDLO C[C@@H]1C[C@@H](c2cccnc2)[N@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000367360728 556027719 /nfs/dbraw/zinc/02/77/19/556027719.db2.gz KDTPNJQZIPFZKG-PBHICJAKSA-N 1 2 356.451 2.205 20 30 FEEDLO CCO[C@H](C)c1noc(C[N@@H+]2CCCN(c3cc(C#N)cc(C)n3)CC2)n1 ZINC000367427482 556046282 /nfs/dbraw/zinc/04/62/82/556046282.db2.gz ZPGRNGQGBNLUQN-OAHLLOKOSA-N 1 2 370.457 2.455 20 30 FEEDLO CCO[C@H](C)c1noc(C[N@H+]2CCCN(c3cc(C#N)cc(C)n3)CC2)n1 ZINC000367427482 556046283 /nfs/dbraw/zinc/04/62/83/556046283.db2.gz ZPGRNGQGBNLUQN-OAHLLOKOSA-N 1 2 370.457 2.455 20 30 FEEDLO Cn1cc[nH+]c1[C@@H](NS(=O)(=O)c1ccc(C#N)o1)c1cccc(F)c1 ZINC000367807333 556143855 /nfs/dbraw/zinc/14/38/55/556143855.db2.gz STIRYIZDBCSGQG-HNNXBMFYSA-N 1 2 360.370 2.092 20 30 FEEDLO CCCC[C@H](ON=C(C)C)C(=O)N1CCC[N@H+](CC(=O)NC(C)C)CC1 ZINC000368218511 556251610 /nfs/dbraw/zinc/25/16/10/556251610.db2.gz HHLQAFSLUJURFO-KRWDZBQOSA-N 1 2 368.522 2.017 20 30 FEEDLO CCCC[C@H](ON=C(C)C)C(=O)N1CCC[N@@H+](CC(=O)NC(C)C)CC1 ZINC000368218511 556251611 /nfs/dbraw/zinc/25/16/11/556251611.db2.gz HHLQAFSLUJURFO-KRWDZBQOSA-N 1 2 368.522 2.017 20 30 FEEDLO COCC[N@H+](CC(=O)N(CCC#N)CCC#N)[C@@H]1CCCc2cccnc21 ZINC000368375533 556291093 /nfs/dbraw/zinc/29/10/93/556291093.db2.gz WDTALAKYDIXTDQ-GOSISDBHSA-N 1 2 369.469 2.063 20 30 FEEDLO COCC[N@@H+](CC(=O)N(CCC#N)CCC#N)[C@@H]1CCCc2cccnc21 ZINC000368375533 556291094 /nfs/dbraw/zinc/29/10/94/556291094.db2.gz WDTALAKYDIXTDQ-GOSISDBHSA-N 1 2 369.469 2.063 20 30 FEEDLO Cc1noc(C)c1CO[C@@H]1CC[N@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000368854166 556430204 /nfs/dbraw/zinc/43/02/04/556430204.db2.gz MRHYGYPXIWZCKS-QGZVFWFLSA-N 1 2 354.410 2.393 20 30 FEEDLO Cc1noc(C)c1CO[C@@H]1CC[N@@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000368854166 556430205 /nfs/dbraw/zinc/43/02/05/556430205.db2.gz MRHYGYPXIWZCKS-QGZVFWFLSA-N 1 2 354.410 2.393 20 30 FEEDLO N#Cc1ccc(Cl)cc1NC(=O)C[NH+]1CCC(Oc2cnccn2)CC1 ZINC000369683427 556668009 /nfs/dbraw/zinc/66/80/09/556668009.db2.gz LJWNEBMMHCBLMJ-UHFFFAOYSA-N 1 2 371.828 2.484 20 30 FEEDLO N#CCCN(C(=O)C[NH+]1CCC(Oc2cnccn2)CC1)c1ccccc1 ZINC000369720641 556677705 /nfs/dbraw/zinc/67/77/05/556677705.db2.gz ANVZHKJEOHXJHI-UHFFFAOYSA-N 1 2 365.437 2.267 20 30 FEEDLO C[N@@H+]1CCN(S(=O)(=O)c2ccc(C#N)c(F)c2)C[C@H]1Cc1ccccc1 ZINC000516614674 562050775 /nfs/dbraw/zinc/05/07/75/562050775.db2.gz JHAYCVYAMBIREE-QGZVFWFLSA-N 1 2 373.453 2.245 20 30 FEEDLO C[N@H+]1CCN(S(=O)(=O)c2ccc(C#N)c(F)c2)C[C@H]1Cc1ccccc1 ZINC000516614674 562050776 /nfs/dbraw/zinc/05/07/76/562050776.db2.gz JHAYCVYAMBIREE-QGZVFWFLSA-N 1 2 373.453 2.245 20 30 FEEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@H](N2CCCCC2=O)C1 ZINC000370905583 557010510 /nfs/dbraw/zinc/01/05/10/557010510.db2.gz QGJJTQMIVPDEGB-QAPCUYQASA-N 1 2 354.454 2.362 20 30 FEEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@H](N2CCCCC2=O)C1 ZINC000370905583 557010514 /nfs/dbraw/zinc/01/05/14/557010514.db2.gz QGJJTQMIVPDEGB-QAPCUYQASA-N 1 2 354.454 2.362 20 30 FEEDLO N#CCSc1ccccc1NC(=O)C[NH+]1CCC2(CCOC2=O)CC1 ZINC000371158237 557092273 /nfs/dbraw/zinc/09/22/73/557092273.db2.gz RETXGDJVYMTXAA-UHFFFAOYSA-N 1 2 359.451 2.270 20 30 FEEDLO N#CCCCOc1cccc(C[NH+]2CCN(C3(C(N)=O)CCCC3)CC2)c1 ZINC000371377865 557166167 /nfs/dbraw/zinc/16/61/67/557166167.db2.gz GBDJXKSVANULKL-UHFFFAOYSA-N 1 2 370.497 2.285 20 30 FEEDLO Cc1cccn2c(CN3C[C@@H](C#N)[C@@]4(C3)c3ccccc3NC4=O)c[nH+]c12 ZINC000371454636 557190111 /nfs/dbraw/zinc/19/01/11/557190111.db2.gz AUTBFIPRXQHJES-VFNWGFHPSA-N 1 2 357.417 2.488 20 30 FEEDLO Cc1cccn2c(CN3C[C@@H](C#N)[C@]4(C3)c3ccccc3NC4=O)c[nH+]c12 ZINC000371454635 557190163 /nfs/dbraw/zinc/19/01/63/557190163.db2.gz AUTBFIPRXQHJES-QVKFZJNVSA-N 1 2 357.417 2.488 20 30 FEEDLO Cc1cccc2ncc(C[N@@H+]3C[C@H](C#N)[C@]4(C3)c3ccccc3NC4=O)n21 ZINC000371456164 557190227 /nfs/dbraw/zinc/19/02/27/557190227.db2.gz FUOVREYPPNTYBP-YCRPNKLZSA-N 1 2 357.417 2.488 20 30 FEEDLO Cc1cccc2ncc(C[N@H+]3C[C@H](C#N)[C@]4(C3)c3ccccc3NC4=O)n21 ZINC000371456164 557190231 /nfs/dbraw/zinc/19/02/31/557190231.db2.gz FUOVREYPPNTYBP-YCRPNKLZSA-N 1 2 357.417 2.488 20 30 FEEDLO Cc1ccc2[nH+]cc(CN3C[C@H](C#N)[C@@]4(C3)c3ccccc3NC4=O)n2c1 ZINC000371471474 557191505 /nfs/dbraw/zinc/19/15/05/557191505.db2.gz USVUXWYPQBGOTD-BTYIYWSLSA-N 1 2 357.417 2.488 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Nc1ccc2cc[nH]c(=O)c2c1 ZINC000518366878 562109827 /nfs/dbraw/zinc/10/98/27/562109827.db2.gz HHZZYGNZXFTCJY-UHFFFAOYSA-N 1 2 369.425 2.020 20 30 FEEDLO N#C[C@@H]1C[N@@H+](C[C@H](O)c2cc(F)ccc2F)C[C@]12C(=O)Nc1ccccc12 ZINC000372229527 557416019 /nfs/dbraw/zinc/41/60/19/557416019.db2.gz WLEULBIDCCLPDV-OACQNMCBSA-N 1 2 369.371 2.344 20 30 FEEDLO N#C[C@@H]1C[N@H+](C[C@H](O)c2cc(F)ccc2F)C[C@]12C(=O)Nc1ccccc12 ZINC000372229527 557416021 /nfs/dbraw/zinc/41/60/21/557416021.db2.gz WLEULBIDCCLPDV-OACQNMCBSA-N 1 2 369.371 2.344 20 30 FEEDLO C=CCCOCCNC(=O)N[C@H](c1[nH+]ccn1C)c1cccc(OC)c1 ZINC000372298497 557433200 /nfs/dbraw/zinc/43/32/00/557433200.db2.gz OYLGQHFGCXJNID-KRWDZBQOSA-N 1 2 358.442 2.410 20 30 FEEDLO Cc1nn(C)c(C)c1[C@@H]1COCC[N@@H+]1CCC(=O)Nc1sccc1C#N ZINC000373153603 557639699 /nfs/dbraw/zinc/63/96/99/557639699.db2.gz MRZCYIYMCBZLQU-HNNXBMFYSA-N 1 2 373.482 2.372 20 30 FEEDLO Cc1nn(C)c(C)c1[C@@H]1COCC[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000373153603 557639702 /nfs/dbraw/zinc/63/97/02/557639702.db2.gz MRZCYIYMCBZLQU-HNNXBMFYSA-N 1 2 373.482 2.372 20 30 FEEDLO C=CCOCCNC(=O)C1CCN(c2ccc3cccc(O)c3[nH+]2)CC1 ZINC000373304134 557669521 /nfs/dbraw/zinc/66/95/21/557669521.db2.gz OOWYGQUVVZUHIW-UHFFFAOYSA-N 1 2 355.438 2.476 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCC(c2noc(C(F)F)n2)CC1 ZINC000373366604 557679793 /nfs/dbraw/zinc/67/97/93/557679793.db2.gz TXJLOMFYJQTWOC-INIZCTEOSA-N 1 2 355.389 2.241 20 30 FEEDLO N#Cc1ncn(C2CC[NH+](Cc3ccn(-c4ccc(F)cc4F)n3)CC2)n1 ZINC000373398191 557686740 /nfs/dbraw/zinc/68/67/40/557686740.db2.gz FGDRGTSKNIVWON-UHFFFAOYSA-N 1 2 369.379 2.451 20 30 FEEDLO N#CC[C@@H](CC(=O)N1CC[NH+](C2(C(N)=O)CCCC2)CC1)c1ccccc1 ZINC000373539207 557713731 /nfs/dbraw/zinc/71/37/31/557713731.db2.gz QNYCNVIRZPKMDL-SFHVURJKSA-N 1 2 368.481 2.016 20 30 FEEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(c2nc(N(C)C)no2)CC1 ZINC000373545324 557715366 /nfs/dbraw/zinc/71/53/66/557715366.db2.gz SKMXTSKGMNICJY-ZDUSSCGKSA-N 1 2 368.441 2.214 20 30 FEEDLO N#CCCSc1ccccc1NC(=O)C(=O)NCCNc1cccc[nH+]1 ZINC000520843463 562165047 /nfs/dbraw/zinc/16/50/47/562165047.db2.gz WBVHRHFVEXJROM-UHFFFAOYSA-N 1 2 369.450 2.254 20 30 FEEDLO N#CCCN(CCC#N)C(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000520860021 562165281 /nfs/dbraw/zinc/16/52/81/562165281.db2.gz NNLDUEMJYVFMLS-UHFFFAOYSA-N 1 2 364.409 2.181 20 30 FEEDLO C=C(C)COc1cccc(NC(=O)C(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000374334994 557867596 /nfs/dbraw/zinc/86/75/96/557867596.db2.gz XEBIYKQAHFUWFC-OAHLLOKOSA-N 1 2 368.437 2.330 20 30 FEEDLO CO/N=C/c1ccc(C(=O)N2CC[NH2+][C@H](c3ccccc3OC)C2)cc1 ZINC000374346360 557869051 /nfs/dbraw/zinc/86/90/51/557869051.db2.gz RKFITNGTZMYPBT-ZFJBLLOBSA-N 1 2 353.422 2.462 20 30 FEEDLO N#C[C@@H]1C[N@@H+](Cc2ccc(-n3ccnc3)nc2)C[C@@]12C(=O)Nc1ccccc12 ZINC000374355049 557870796 /nfs/dbraw/zinc/87/07/96/557870796.db2.gz XDVZPVMBSPBPPH-IIBYNOLFSA-N 1 2 370.416 2.113 20 30 FEEDLO N#C[C@@H]1C[N@H+](Cc2ccc(-n3ccnc3)nc2)C[C@@]12C(=O)Nc1ccccc12 ZINC000374355049 557870798 /nfs/dbraw/zinc/87/07/98/557870798.db2.gz XDVZPVMBSPBPPH-IIBYNOLFSA-N 1 2 370.416 2.113 20 30 FEEDLO COC(=O)c1ccc(C[N@@H+]2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)s1 ZINC000374362871 557872137 /nfs/dbraw/zinc/87/21/37/557872137.db2.gz AOOLGFYPVCJJAH-BUXKBTBVSA-N 1 2 367.430 2.380 20 30 FEEDLO COC(=O)c1ccc(C[N@H+]2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)s1 ZINC000374362871 557872139 /nfs/dbraw/zinc/87/21/39/557872139.db2.gz AOOLGFYPVCJJAH-BUXKBTBVSA-N 1 2 367.430 2.380 20 30 FEEDLO N#CCOc1ccc(CC(=O)N2CC[NH2+][C@@H](c3cccc(F)c3)C2)cc1 ZINC000374377802 557874678 /nfs/dbraw/zinc/87/46/78/557874678.db2.gz NWUDCKWDAVTFBS-LJQANCHMSA-N 1 2 353.397 2.444 20 30 FEEDLO C#CCOCCC(=O)N[C@@H]1CC[N@@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000374657074 557912838 /nfs/dbraw/zinc/91/28/38/557912838.db2.gz CSWNLYSQIIQNDN-CRAIPNDOSA-N 1 2 354.372 2.395 20 30 FEEDLO C#CCOCCC(=O)N[C@@H]1CC[N@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000374657074 557912840 /nfs/dbraw/zinc/91/28/40/557912840.db2.gz CSWNLYSQIIQNDN-CRAIPNDOSA-N 1 2 354.372 2.395 20 30 FEEDLO CC(C)n1nc2c(cc1=O)C[N@H+]([C@H](C)C(=O)Nc1cccc(C#N)c1)CC2 ZINC000375884592 558093629 /nfs/dbraw/zinc/09/36/29/558093629.db2.gz VTDNZHFMGUHECO-CQSZACIVSA-N 1 2 365.437 2.081 20 30 FEEDLO CC(C)n1nc2c(cc1=O)C[N@@H+]([C@H](C)C(=O)Nc1cccc(C#N)c1)CC2 ZINC000375884592 558093631 /nfs/dbraw/zinc/09/36/31/558093631.db2.gz VTDNZHFMGUHECO-CQSZACIVSA-N 1 2 365.437 2.081 20 30 FEEDLO Cc1nc(C[N@@H+](C)[C@@H]2CCCN(C(=O)c3ccc(C#N)cc3)CC2)no1 ZINC000376650286 558203027 /nfs/dbraw/zinc/20/30/27/558203027.db2.gz FJLMXAYNSKUTCL-QGZVFWFLSA-N 1 2 353.426 2.376 20 30 FEEDLO Cc1nc(C[N@H+](C)[C@@H]2CCCN(C(=O)c3ccc(C#N)cc3)CC2)no1 ZINC000376650286 558203028 /nfs/dbraw/zinc/20/30/28/558203028.db2.gz FJLMXAYNSKUTCL-QGZVFWFLSA-N 1 2 353.426 2.376 20 30 FEEDLO COc1cccc(N2CC[NH+](CC(=O)NCc3cccc(C#N)c3)CC2)c1 ZINC000521820929 562183912 /nfs/dbraw/zinc/18/39/12/562183912.db2.gz FTQCEAJVYBHODF-UHFFFAOYSA-N 1 2 364.449 2.005 20 30 FEEDLO Cn1cc[nH+]c1CNC(=O)C1CCN(c2c(F)cc(C#N)cc2F)CC1 ZINC000376724056 558213681 /nfs/dbraw/zinc/21/36/81/558213681.db2.gz WCUNLZMICQRHMM-UHFFFAOYSA-N 1 2 359.380 2.103 20 30 FEEDLO C=CC[C@H](C(=O)N1CCC(N2CC[N@@H+](C)CC2=O)CC1)c1ccccc1 ZINC000376905479 558236869 /nfs/dbraw/zinc/23/68/69/558236869.db2.gz BAYXUCPTILEVTR-IBGZPJMESA-N 1 2 355.482 2.111 20 30 FEEDLO C=CC[C@H](C(=O)N1CCC(N2CC[N@H+](C)CC2=O)CC1)c1ccccc1 ZINC000376905479 558236870 /nfs/dbraw/zinc/23/68/70/558236870.db2.gz BAYXUCPTILEVTR-IBGZPJMESA-N 1 2 355.482 2.111 20 30 FEEDLO N#CC1(C(=O)Nc2ccc3nc(CC[NH+]4CCOCC4)[nH]c3c2)CCCC1 ZINC000522268217 562195538 /nfs/dbraw/zinc/19/55/38/562195538.db2.gz TUZOFURMKMJTTH-UHFFFAOYSA-N 1 2 367.453 2.460 20 30 FEEDLO C[N@@H+]1CCN(CC(=O)N[C@@](C)(C#N)C2CC2)C[C@@H]1c1ccccc1Cl ZINC000377526756 558357390 /nfs/dbraw/zinc/35/73/90/558357390.db2.gz XHUUZMOQPUMUIE-MJGOQNOKSA-N 1 2 360.889 2.437 20 30 FEEDLO C[N@H+]1CCN(CC(=O)N[C@@](C)(C#N)C2CC2)C[C@@H]1c1ccccc1Cl ZINC000377526756 558357392 /nfs/dbraw/zinc/35/73/92/558357392.db2.gz XHUUZMOQPUMUIE-MJGOQNOKSA-N 1 2 360.889 2.437 20 30 FEEDLO C[N@@H+]1CCN(CC(=O)N(CCC#N)CCC#N)C[C@@H]1c1ccccc1Cl ZINC000377527297 558357966 /nfs/dbraw/zinc/35/79/66/558357966.db2.gz ZONFTANIPAZLKW-GOSISDBHSA-N 1 2 373.888 2.284 20 30 FEEDLO C[N@H+]1CCN(CC(=O)N(CCC#N)CCC#N)C[C@@H]1c1ccccc1Cl ZINC000377527297 558357967 /nfs/dbraw/zinc/35/79/67/558357967.db2.gz ZONFTANIPAZLKW-GOSISDBHSA-N 1 2 373.888 2.284 20 30 FEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+]Cc1nnc2n1C[C@H](C(F)(F)F)CC2 ZINC000377823171 558426999 /nfs/dbraw/zinc/42/69/99/558426999.db2.gz HFPRQORNEHFLPM-CHWSQXEVSA-N 1 2 371.407 2.082 20 30 FEEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+]Cc1nnc2n1C[C@@H](C(F)(F)F)CC2 ZINC000377824433 558427626 /nfs/dbraw/zinc/42/76/26/558427626.db2.gz RWRNUEXJHAZKPB-OLZOCXBDSA-N 1 2 373.423 2.306 20 30 FEEDLO CC(C)N(C(=O)[C@@H](C)[N@@H+]1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O)C(C)C ZINC000378291139 558521404 /nfs/dbraw/zinc/52/14/04/558521404.db2.gz PHVFMQDNDMKXNC-ZOCZFRKYSA-N 1 2 368.481 2.366 20 30 FEEDLO CC(C)N(C(=O)[C@@H](C)[N@H+]1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O)C(C)C ZINC000378291139 558521407 /nfs/dbraw/zinc/52/14/07/558521407.db2.gz PHVFMQDNDMKXNC-ZOCZFRKYSA-N 1 2 368.481 2.366 20 30 FEEDLO C#Cc1cccc(NC(=O)C(=O)NCc2cccc(-c3[nH+]ccn3C)c2)c1 ZINC000378384053 558545061 /nfs/dbraw/zinc/54/50/61/558545061.db2.gz NBKMRVXAYGUCFY-UHFFFAOYSA-N 1 2 358.401 2.323 20 30 FEEDLO Cc1cc(=NC(=O)N(C)C2CCN(c3cccc[nH+]3)CC2)[nH]n1CCC#N ZINC000378520918 558574507 /nfs/dbraw/zinc/57/45/07/558574507.db2.gz MEKYRMVBXYOHMK-UHFFFAOYSA-N 1 2 367.457 2.633 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[NH+]2CCC([C@@H]3CCCOC3)CC2)cc1 ZINC000378591097 558590208 /nfs/dbraw/zinc/59/02/08/558590208.db2.gz IHFXFAQCDBTECV-GOSISDBHSA-N 1 2 362.495 2.471 20 30 FEEDLO C[C@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000408084273 558644802 /nfs/dbraw/zinc/64/48/02/558644802.db2.gz OBFXYYNLUSIBAQ-QWRGUYRKSA-N 1 2 372.288 2.034 20 30 FEEDLO C[C@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000408084273 558644804 /nfs/dbraw/zinc/64/48/04/558644804.db2.gz OBFXYYNLUSIBAQ-QWRGUYRKSA-N 1 2 372.288 2.034 20 30 FEEDLO CSc1[nH]c(=O)c(C(=O)N2CCC([NH+]3CCCCC3)CC2)cc1C#N ZINC000408106539 558647132 /nfs/dbraw/zinc/64/71/32/558647132.db2.gz KRTCMRUKKRMMCR-UHFFFAOYSA-N 1 2 360.483 2.471 20 30 FEEDLO CC(C)(C)OC(=O)C1CC[NH+](CC(=O)NCc2cccc(C#N)c2)CC1 ZINC000524306615 562226918 /nfs/dbraw/zinc/22/69/18/562226918.db2.gz DCQUNLFFSHLCGX-UHFFFAOYSA-N 1 2 357.454 2.228 20 30 FEEDLO C=CCN(C)C(=O)C(=O)N1CC[N@@H+](Cc2ccc(C)nc2)C[C@@H]1[C@@H](C)CC ZINC000410956718 558827697 /nfs/dbraw/zinc/82/76/97/558827697.db2.gz MADABXJFUILAPW-QFBILLFUSA-N 1 2 372.513 2.093 20 30 FEEDLO C=CCN(C)C(=O)C(=O)N1CC[N@H+](Cc2ccc(C)nc2)C[C@@H]1[C@@H](C)CC ZINC000410956718 558827698 /nfs/dbraw/zinc/82/76/98/558827698.db2.gz MADABXJFUILAPW-QFBILLFUSA-N 1 2 372.513 2.093 20 30 FEEDLO N#Cc1ccc(-c2nnc(C[N@H+]3CCC[C@@H](N4CCCC4=O)C3)o2)cc1 ZINC000525272150 562244652 /nfs/dbraw/zinc/24/46/52/562244652.db2.gz NFPWAIHREPDZNH-MRXNPFEDSA-N 1 2 351.410 2.195 20 30 FEEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3CCC[C@@H](N4CCCC4=O)C3)o2)cc1 ZINC000525272150 562244653 /nfs/dbraw/zinc/24/46/53/562244653.db2.gz NFPWAIHREPDZNH-MRXNPFEDSA-N 1 2 351.410 2.195 20 30 FEEDLO N#CC1(CC[NH+]2CCN(S(=O)(=O)c3cccnc3)CC2)CCCCC1 ZINC000411336472 558879435 /nfs/dbraw/zinc/87/94/35/558879435.db2.gz IXXQIGSHSFEDCO-UHFFFAOYSA-N 1 2 362.499 2.252 20 30 FEEDLO CCO[C@H]1C[C@@]([NH2+]CCC(=O)Nc2cccc(C#N)c2)(C(=O)OC)C1(C)C ZINC000411621705 558930786 /nfs/dbraw/zinc/93/07/86/558930786.db2.gz XRJYVOGUMOWCST-OXJNMPFZSA-N 1 2 373.453 2.223 20 30 FEEDLO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCc4n[nH]nc4C3)sc2C1 ZINC000411621741 558930844 /nfs/dbraw/zinc/93/08/44/558930844.db2.gz RHRSUGZBGPKZPJ-LLVKDONJSA-N 1 2 370.482 2.250 20 30 FEEDLO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCc4n[nH]nc4C3)sc2C1 ZINC000411621741 558930848 /nfs/dbraw/zinc/93/08/48/558930848.db2.gz RHRSUGZBGPKZPJ-LLVKDONJSA-N 1 2 370.482 2.250 20 30 FEEDLO C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(n2c3ccccc3[nH]c2=O)CC1 ZINC000526058611 562265408 /nfs/dbraw/zinc/26/54/08/562265408.db2.gz LODFGNXOQNBMRD-CQSZACIVSA-N 1 2 367.453 2.330 20 30 FEEDLO CC[C@@H](Oc1ccccc1C)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000413280825 559095191 /nfs/dbraw/zinc/09/51/91/559095191.db2.gz LURPJMBBSCEJCD-GOSISDBHSA-N 1 2 359.470 2.227 20 30 FEEDLO C=CC[C@@H](Cc1ccccc1)Nc1cc(N2CCN(C)C(=O)C2)nc[nH+]1 ZINC000413577412 559117879 /nfs/dbraw/zinc/11/78/79/559117879.db2.gz NAGGAXPXKZDMJT-KRWDZBQOSA-N 1 2 351.454 2.354 20 30 FEEDLO C=CC[C@@H](Cc1ccccc1)Nc1cc(N2CCN(C)C(=O)C2)[nH+]cn1 ZINC000413577412 559117881 /nfs/dbraw/zinc/11/78/81/559117881.db2.gz NAGGAXPXKZDMJT-KRWDZBQOSA-N 1 2 351.454 2.354 20 30 FEEDLO C[N@H+](CCC#N)C[C@@H](O)CSc1n[nH]c(-c2ccc(Cl)cc2)n1 ZINC000414103002 559149253 /nfs/dbraw/zinc/14/92/53/559149253.db2.gz WHMSMNAKAJFRAN-CYBMUJFWSA-N 1 2 351.863 2.424 20 30 FEEDLO C[N@@H+](CCC#N)C[C@@H](O)CSc1n[nH]c(-c2ccc(Cl)cc2)n1 ZINC000414103002 559149255 /nfs/dbraw/zinc/14/92/55/559149255.db2.gz WHMSMNAKAJFRAN-CYBMUJFWSA-N 1 2 351.863 2.424 20 30 FEEDLO C[N@H+](CCC#N)C[C@@H](O)COc1ccc(-c2noc([C@@H]3CCCO3)n2)cc1 ZINC000414148025 559150707 /nfs/dbraw/zinc/15/07/07/559150707.db2.gz MZOBSDQDWXYKHF-WBVHZDCISA-N 1 2 372.425 2.173 20 30 FEEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1ccc(-c2noc([C@@H]3CCCO3)n2)cc1 ZINC000414148025 559150708 /nfs/dbraw/zinc/15/07/08/559150708.db2.gz MZOBSDQDWXYKHF-WBVHZDCISA-N 1 2 372.425 2.173 20 30 FEEDLO C[C@@H](C#N)S(=O)(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000416387150 559309309 /nfs/dbraw/zinc/30/93/09/559309309.db2.gz JJRDAKMFQGXBHS-SMDDNHRTSA-N 1 2 359.854 2.275 20 30 FEEDLO C[C@@H](C#N)S(=O)(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000416387150 559309310 /nfs/dbraw/zinc/30/93/10/559309310.db2.gz JJRDAKMFQGXBHS-SMDDNHRTSA-N 1 2 359.854 2.275 20 30 FEEDLO COc1cccc(OCC[NH+]2CCN(C(=O)NCC3(C#N)CCC3)CC2)c1 ZINC000419629623 559450548 /nfs/dbraw/zinc/45/05/48/559450548.db2.gz RNRYOWNBQMCENM-UHFFFAOYSA-N 1 2 372.469 2.095 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2C[C@H](CO)OC(C)(C)C2)c1 ZINC000420929447 559512099 /nfs/dbraw/zinc/51/20/99/559512099.db2.gz DEHBMPQWWHVSQV-IEBWSBKVSA-N 1 2 373.497 2.410 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2C[C@H](CO)OC(C)(C)C2)c1 ZINC000420929447 559512100 /nfs/dbraw/zinc/51/21/00/559512100.db2.gz DEHBMPQWWHVSQV-IEBWSBKVSA-N 1 2 373.497 2.410 20 30 FEEDLO N#Cc1ccc(CNC(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)s1 ZINC000421925055 559556920 /nfs/dbraw/zinc/55/69/20/559556920.db2.gz VDWYBXPJAWHNND-SFHVURJKSA-N 1 2 355.463 2.434 20 30 FEEDLO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000422533765 559593388 /nfs/dbraw/zinc/59/33/88/559593388.db2.gz XVWNTRIAXKJIDH-GOSISDBHSA-N 1 2 366.465 2.350 20 30 FEEDLO Cc1ccccc1[C@H](OC[C@H](O)C[NH+]1CC(O)(CC#N)C1)c1ccccc1 ZINC000424130483 559655656 /nfs/dbraw/zinc/65/56/56/559655656.db2.gz FJQKHGHNVHTANF-TZIWHRDSSA-N 1 2 366.461 2.422 20 30 FEEDLO COc1ccc(C(=O)N2CCN(c3cc(C)[nH+]cc3C#N)CC2)cc1OC ZINC000425210529 559691412 /nfs/dbraw/zinc/69/14/12/559691412.db2.gz RPUHJBFMNFAOGA-UHFFFAOYSA-N 1 2 366.421 2.241 20 30 FEEDLO COC(=O)c1cnc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc(C#N)c2)s1 ZINC000425484519 559704928 /nfs/dbraw/zinc/70/49/28/559704928.db2.gz JCAMOOGNJGOCSX-WDEREUQCSA-N 1 2 358.423 2.479 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000425566475 559709995 /nfs/dbraw/zinc/70/99/95/559709995.db2.gz QIGBWUSYLLWVNT-ZCNNSNEGSA-N 1 2 373.497 2.259 20 30 FEEDLO CCN1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)[C@H](C)C1=O ZINC000425912830 559725010 /nfs/dbraw/zinc/72/50/10/559725010.db2.gz FRCMYLJWWIQIOB-CYBMUJFWSA-N 1 2 374.510 2.380 20 30 FEEDLO CCN1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)[C@H](C)C1=O ZINC000425912830 559725011 /nfs/dbraw/zinc/72/50/11/559725011.db2.gz FRCMYLJWWIQIOB-CYBMUJFWSA-N 1 2 374.510 2.380 20 30 FEEDLO CS(=O)(=O)NC[C@@H]1CCCC[N@@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000426379022 559733759 /nfs/dbraw/zinc/73/37/59/559733759.db2.gz IEFNQBHWKZRULK-INIZCTEOSA-N 1 2 374.428 2.461 20 30 FEEDLO CS(=O)(=O)NC[C@@H]1CCCC[N@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000426379022 559733760 /nfs/dbraw/zinc/73/37/60/559733760.db2.gz IEFNQBHWKZRULK-INIZCTEOSA-N 1 2 374.428 2.461 20 30 FEEDLO C=CC[C@H](CO)CNC(=O)C(=O)Nc1ccc(Oc2cc[nH+]cc2)c(C)c1 ZINC000427289902 559752288 /nfs/dbraw/zinc/75/22/88/559752288.db2.gz SCPMVGIIEPTJFE-HNNXBMFYSA-N 1 2 369.421 2.422 20 30 FEEDLO C[NH+](C)[C@H](CNS(=O)(=O)c1cccnc1C#N)c1ccccc1Cl ZINC000428249248 559772212 /nfs/dbraw/zinc/77/22/12/559772212.db2.gz UUPXVVRNKYTNTN-OAHLLOKOSA-N 1 2 364.858 2.188 20 30 FEEDLO COc1cc(C#N)ccc1NC(=O)C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000527344074 562286019 /nfs/dbraw/zinc/28/60/19/562286019.db2.gz XCSYCJNOUGGSNQ-UHFFFAOYSA-N 1 2 361.361 2.330 20 30 FEEDLO COc1cc[nH+]cc1CNC(=O)N(C)CCOCc1ccc(C#N)cc1 ZINC000432131406 559852586 /nfs/dbraw/zinc/85/25/86/559852586.db2.gz SYVPKRHHUXEKSY-UHFFFAOYSA-N 1 2 354.410 2.320 20 30 FEEDLO CCN1CCN(C(=O)C(C)(C)Oc2ccc(C#N)cc2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000433105751 559871846 /nfs/dbraw/zinc/87/18/46/559871846.db2.gz PGPMNGVKECSDGR-QGZVFWFLSA-N 1 2 367.453 2.344 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+](C)[C@H](CO)COC(C)C)c1 ZINC000433168249 559872917 /nfs/dbraw/zinc/87/29/17/559872917.db2.gz QYUALMSEYDLINK-LJQANCHMSA-N 1 2 361.486 2.268 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](C)[C@H](CO)COC(C)C)c1 ZINC000433168249 559872918 /nfs/dbraw/zinc/87/29/18/559872918.db2.gz QYUALMSEYDLINK-LJQANCHMSA-N 1 2 361.486 2.268 20 30 FEEDLO COc1cc(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)c(C)cc1C ZINC000434892832 559911762 /nfs/dbraw/zinc/91/17/62/559911762.db2.gz WAVAYHNDEDTWIA-UHFFFAOYSA-N 1 2 360.458 2.392 20 30 FEEDLO N#CCCn1cc(C[NH+]2CCN(CC(F)F)CC2)c(-c2ccncc2)n1 ZINC000435131017 559916952 /nfs/dbraw/zinc/91/69/52/559916952.db2.gz AJZNDKOEQVTDOK-UHFFFAOYSA-N 1 2 360.412 2.241 20 30 FEEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCOC[C@H]1[C@H]1CCCC1=O ZINC000439428004 559993627 /nfs/dbraw/zinc/99/36/27/559993627.db2.gz FJWSCDKEMAGDCE-QRVBRYPASA-N 1 2 359.466 2.225 20 30 FEEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCOC[C@H]1[C@H]1CCCC1=O ZINC000439428004 559993628 /nfs/dbraw/zinc/99/36/28/559993628.db2.gz FJWSCDKEMAGDCE-QRVBRYPASA-N 1 2 359.466 2.225 20 30 FEEDLO N#Cc1ccc(C[N@@H+](CCC(F)(F)F)C[C@H](O)CO)c(OC(F)F)c1 ZINC000441159996 560025396 /nfs/dbraw/zinc/02/53/96/560025396.db2.gz VFZHYQCRQKXDON-LBPRGKRZSA-N 1 2 368.302 2.267 20 30 FEEDLO N#Cc1ccc(C[N@H+](CCC(F)(F)F)C[C@H](O)CO)c(OC(F)F)c1 ZINC000441159996 560025397 /nfs/dbraw/zinc/02/53/97/560025397.db2.gz VFZHYQCRQKXDON-LBPRGKRZSA-N 1 2 368.302 2.267 20 30 FEEDLO CC(C)CC[N@H+](CCC#N)CC(=O)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000444232366 560106239 /nfs/dbraw/zinc/10/62/39/560106239.db2.gz QETUXCJNWIXJFO-UHFFFAOYSA-N 1 2 360.414 2.325 20 30 FEEDLO CC(C)CC[N@@H+](CCC#N)CC(=O)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000444232366 560106241 /nfs/dbraw/zinc/10/62/41/560106241.db2.gz QETUXCJNWIXJFO-UHFFFAOYSA-N 1 2 360.414 2.325 20 30 FEEDLO N#Cc1ccc(CC(=O)N2CC[NH+](Cc3ccc(Cl)cc3)CC2)cn1 ZINC000527687445 562300150 /nfs/dbraw/zinc/30/01/50/562300150.db2.gz VCCCDLQCFHFMPZ-UHFFFAOYSA-N 1 2 354.841 2.494 20 30 FEEDLO C[N@@H+]1CCCC(C)(C)[C@@H]1CNS(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000447946662 560174325 /nfs/dbraw/zinc/17/43/25/560174325.db2.gz WYHJAJPFVKXGPX-AWEZNQCLSA-N 1 2 357.426 2.235 20 30 FEEDLO C[N@H+]1CCCC(C)(C)[C@@H]1CNS(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000447946662 560174326 /nfs/dbraw/zinc/17/43/26/560174326.db2.gz WYHJAJPFVKXGPX-AWEZNQCLSA-N 1 2 357.426 2.235 20 30 FEEDLO CCOc1ccc(C[NH+]2CCN(C(=O)Cc3ccc(C#N)nc3)CC2)cc1 ZINC000527745456 562302092 /nfs/dbraw/zinc/30/20/92/562302092.db2.gz QSGVATKVGXVRSF-UHFFFAOYSA-N 1 2 364.449 2.239 20 30 FEEDLO Cc1cc(C[NH+]2CCN(c3ncc(Br)cc3C#N)CC2)on1 ZINC000450229816 560254772 /nfs/dbraw/zinc/25/47/72/560254772.db2.gz DDHSVTDCYHSLIW-UHFFFAOYSA-N 1 2 362.231 2.334 20 30 FEEDLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)c3cc(C#N)[nH]c3C)c2)CC1 ZINC000450968172 560280379 /nfs/dbraw/zinc/28/03/79/560280379.db2.gz KBAIKANQIGUMPI-UHFFFAOYSA-N 1 2 365.437 2.111 20 30 FEEDLO CCN(CCC#N)S(=O)(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000451604556 560317066 /nfs/dbraw/zinc/31/70/66/560317066.db2.gz BDCNPLADXSPMCO-UHFFFAOYSA-N 1 2 367.862 2.096 20 30 FEEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CC3(CCC3)[C@@H]2c2ccco2)CC1 ZINC000451862814 560333171 /nfs/dbraw/zinc/33/31/71/560333171.db2.gz VRQRSWYXDKEMMG-PXNSSMCTSA-N 1 2 370.497 2.499 20 30 FEEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CC3(CCC3)[C@@H]2c2ccco2)CC1 ZINC000451862814 560333172 /nfs/dbraw/zinc/33/31/72/560333172.db2.gz VRQRSWYXDKEMMG-PXNSSMCTSA-N 1 2 370.497 2.499 20 30 FEEDLO Cc1sc(NC(=O)C[N@@H+]2CC[C@H]([C@@H](O)C(F)(F)F)C2)c(C#N)c1C ZINC000451883430 560334610 /nfs/dbraw/zinc/33/46/10/560334610.db2.gz FAMSRBUQTNZZLC-GXFFZTMASA-N 1 2 361.389 2.420 20 30 FEEDLO Cc1sc(NC(=O)C[N@H+]2CC[C@H]([C@@H](O)C(F)(F)F)C2)c(C#N)c1C ZINC000451883430 560334611 /nfs/dbraw/zinc/33/46/11/560334611.db2.gz FAMSRBUQTNZZLC-GXFFZTMASA-N 1 2 361.389 2.420 20 30 FEEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCC[C@H](NC(=O)N(C)C)C1 ZINC000452019908 560345817 /nfs/dbraw/zinc/34/58/17/560345817.db2.gz RLHCAGJNUFBMIH-IRXDYDNUSA-N 1 2 371.485 2.057 20 30 FEEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCC[C@H](NC(=O)N(C)C)C1 ZINC000452019908 560345818 /nfs/dbraw/zinc/34/58/18/560345818.db2.gz RLHCAGJNUFBMIH-IRXDYDNUSA-N 1 2 371.485 2.057 20 30 FEEDLO N#CC[C@@H]1CC[C@H](NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)C1 ZINC000455276314 560476445 /nfs/dbraw/zinc/47/64/45/560476445.db2.gz SEYCCQNUUKBZTO-FFGOWVMKSA-N 1 2 368.481 2.364 20 30 FEEDLO N#CC[C@@H]1CC[C@H](NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)C1 ZINC000455276314 560476446 /nfs/dbraw/zinc/47/64/46/560476446.db2.gz SEYCCQNUUKBZTO-FFGOWVMKSA-N 1 2 368.481 2.364 20 30 FEEDLO CCCn1cc(C[N@@H+]2CCCN(C(=O)c3cc(C)c(C#N)cn3)CC2)cn1 ZINC000457547813 560573528 /nfs/dbraw/zinc/57/35/28/560573528.db2.gz WMPBDGZSKXCTII-UHFFFAOYSA-N 1 2 366.469 2.216 20 30 FEEDLO CCCn1cc(C[N@H+]2CCCN(C(=O)c3cc(C)c(C#N)cn3)CC2)cn1 ZINC000457547813 560573529 /nfs/dbraw/zinc/57/35/29/560573529.db2.gz WMPBDGZSKXCTII-UHFFFAOYSA-N 1 2 366.469 2.216 20 30 FEEDLO C=CCc1cc(CNC(=O)NCCc2cn(C)c[nH+]2)cc(OC)c1OC ZINC000458103268 560603246 /nfs/dbraw/zinc/60/32/46/560603246.db2.gz AYIBFFHGIRJPOX-UHFFFAOYSA-N 1 2 358.442 2.208 20 30 FEEDLO C=CCC[C@@H](CO)NC(=O)NC[C@@H](c1ccc(C)s1)[NH+]1CCOCC1 ZINC000458480928 560625991 /nfs/dbraw/zinc/62/59/91/560625991.db2.gz BBVLCNNUCBRYQA-HOTGVXAUSA-N 1 2 367.515 2.056 20 30 FEEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000459374841 560682943 /nfs/dbraw/zinc/68/29/43/560682943.db2.gz YPXNWNRYAWOPGU-PBHICJAKSA-N 1 2 354.410 2.442 20 30 FEEDLO C=CCN(CC=C)C(=O)C(=O)N(C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000459818283 560710621 /nfs/dbraw/zinc/71/06/21/560710621.db2.gz PAAOZVYZDMWQEN-UHFFFAOYSA-N 1 2 352.438 2.090 20 30 FEEDLO C=CCC(C)(C)C(=O)Nc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1 ZINC000459903765 560718345 /nfs/dbraw/zinc/71/83/45/560718345.db2.gz SZGYSSXWTIASDG-UHFFFAOYSA-N 1 2 365.499 2.164 20 30 FEEDLO C=CCN(Cc1ccccc1)C(=O)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000459994961 560727258 /nfs/dbraw/zinc/72/72/58/560727258.db2.gz XVLPCZNAROGPAZ-QGZVFWFLSA-N 1 2 352.438 2.331 20 30 FEEDLO C=C[C@H](CO)NC(=O)N[C@H]1CC[N@@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000460644672 560748080 /nfs/dbraw/zinc/74/80/80/560748080.db2.gz DWUANECVQUDONQ-UHOFOFEASA-N 1 2 355.841 2.461 20 30 FEEDLO C=C[C@H](CO)NC(=O)N[C@H]1CC[N@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000460644672 560748081 /nfs/dbraw/zinc/74/80/81/560748081.db2.gz DWUANECVQUDONQ-UHOFOFEASA-N 1 2 355.841 2.461 20 30 FEEDLO N#Cc1ccc(NC(=O)CC[N@H+]2CCN(c3cccc(F)c3)C(=O)C2)cc1 ZINC000462468377 560811286 /nfs/dbraw/zinc/81/12/86/560811286.db2.gz ZUYQDEPUXCCJBP-UHFFFAOYSA-N 1 2 366.396 2.375 20 30 FEEDLO N#Cc1ccc(NC(=O)CC[N@@H+]2CCN(c3cccc(F)c3)C(=O)C2)cc1 ZINC000462468377 560811287 /nfs/dbraw/zinc/81/12/87/560811287.db2.gz ZUYQDEPUXCCJBP-UHFFFAOYSA-N 1 2 366.396 2.375 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Cc1cccc(C(F)F)c1 ZINC000468311937 560926835 /nfs/dbraw/zinc/92/68/35/560926835.db2.gz UDPFQVRVNVINJB-UHFFFAOYSA-N 1 2 351.397 2.241 20 30 FEEDLO CCOc1ccc(C[NH+]2CCN([C@@H](C)C(=O)NC3(C#N)CCC3)CC2)cc1 ZINC000468865110 560940839 /nfs/dbraw/zinc/94/08/39/560940839.db2.gz HCCQBQPQTQZNKT-KRWDZBQOSA-N 1 2 370.497 2.154 20 30 FEEDLO CC[N@H+](CC(=O)Nc1c(F)cccc1F)[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000469120279 560947578 /nfs/dbraw/zinc/94/75/78/560947578.db2.gz ZEVNLIZZRUTYOH-LBPRGKRZSA-N 1 2 364.396 2.176 20 30 FEEDLO CC[N@@H+](CC(=O)Nc1c(F)cccc1F)[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000469120279 560947579 /nfs/dbraw/zinc/94/75/79/560947579.db2.gz ZEVNLIZZRUTYOH-LBPRGKRZSA-N 1 2 364.396 2.176 20 30 FEEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+](C)Cc1ccnn1C ZINC000471065349 560997510 /nfs/dbraw/zinc/99/75/10/560997510.db2.gz IYAUVXVBWOEIIM-OAHLLOKOSA-N 1 2 355.442 2.196 20 30 FEEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)Cc1ccnn1C ZINC000471065349 560997511 /nfs/dbraw/zinc/99/75/11/560997511.db2.gz IYAUVXVBWOEIIM-OAHLLOKOSA-N 1 2 355.442 2.196 20 30 FEEDLO N#Cc1cccc(CN2C(=O)CC[C@H]2C(=O)NCc2cn3ccccc3[nH+]2)c1 ZINC000473384830 561049088 /nfs/dbraw/zinc/04/90/88/561049088.db2.gz CTDFFUCENJZAGE-SFHVURJKSA-N 1 2 373.416 2.013 20 30 FEEDLO COc1cccc([C@@H]2C[N@H+](C[C@@H](O)COc3ccccc3C#N)CCO2)c1 ZINC000528405530 562327117 /nfs/dbraw/zinc/32/71/17/562327117.db2.gz LOCAOHHDBTWDQJ-NQIIRXRSSA-N 1 2 368.433 2.380 20 30 FEEDLO COc1cccc([C@@H]2C[N@@H+](C[C@@H](O)COc3ccccc3C#N)CCO2)c1 ZINC000528405530 562327118 /nfs/dbraw/zinc/32/71/18/562327118.db2.gz LOCAOHHDBTWDQJ-NQIIRXRSSA-N 1 2 368.433 2.380 20 30 FEEDLO COCc1ccc(NC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)cc1C#N ZINC000529211026 562364997 /nfs/dbraw/zinc/36/49/97/562364997.db2.gz LAFPJRGGDCEEEB-GOSISDBHSA-N 1 2 358.442 2.033 20 30 FEEDLO CO[C@@H](Cn1cc(C[NH+]2CCOCC2)cc(C#N)c1=O)c1ccc(F)cc1 ZINC000530109929 562398738 /nfs/dbraw/zinc/39/87/38/562398738.db2.gz UAJMBNAJLFSGOR-IBGZPJMESA-N 1 2 371.412 2.079 20 30 FEEDLO O=C(NCC#Cc1ccc(C(F)(F)F)cc1)c1ccc(-n2cc[nH+]c2)nn1 ZINC000531460488 562446725 /nfs/dbraw/zinc/44/67/25/562446725.db2.gz JODBSRIHONEAPZ-UHFFFAOYSA-N 1 2 371.322 2.463 20 30 FEEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)C1=O ZINC000531700479 562454189 /nfs/dbraw/zinc/45/41/89/562454189.db2.gz GXUIRXRBLBLYLO-DDLCOGFTSA-N 1 2 359.514 2.179 20 30 FEEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)C1=O ZINC000531700479 562454190 /nfs/dbraw/zinc/45/41/90/562454190.db2.gz GXUIRXRBLBLYLO-DDLCOGFTSA-N 1 2 359.514 2.179 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Cc3csc4nccn34)CC2)cc1 ZINC000531933194 562461855 /nfs/dbraw/zinc/46/18/55/562461855.db2.gz BEQPXRAGVUCOKS-UHFFFAOYSA-N 1 2 365.462 2.154 20 30 FEEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)CCN1CCCC1=O ZINC000532582471 562482246 /nfs/dbraw/zinc/48/22/46/562482246.db2.gz SBLDLKAXTJXMMQ-OAHLLOKOSA-N 1 2 374.510 2.431 20 30 FEEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)CCN1CCCC1=O ZINC000532582471 562482247 /nfs/dbraw/zinc/48/22/47/562482247.db2.gz SBLDLKAXTJXMMQ-OAHLLOKOSA-N 1 2 374.510 2.431 20 30 FEEDLO N#Cc1ccc([C@@H](C(N)=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1 ZINC000532964262 562494066 /nfs/dbraw/zinc/49/40/66/562494066.db2.gz BLQFFEKWROKXQP-XBGMYJNYSA-N 1 2 360.461 2.416 20 30 FEEDLO Cc1nc(C2([NH2+]CC(=O)NCc3cccc(C#N)c3)CCCCC2)no1 ZINC000533352857 562506380 /nfs/dbraw/zinc/50/63/80/562506380.db2.gz HXWAVJHQRLMTIV-UHFFFAOYSA-N 1 2 353.426 2.315 20 30 FEEDLO CN(C(=O)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1)[C@@H]1CCC[C@H]1C#N ZINC000602066486 567924062 /nfs/dbraw/zinc/92/40/62/567924062.db2.gz HYRQSDNUUPODEV-GOEBONIOSA-N 1 2 351.410 2.176 20 30 FEEDLO N#CCC1CC[NH+](Cc2ccc(S(N)(=O)=O)c(Br)c2)CC1 ZINC000602596993 567999728 /nfs/dbraw/zinc/99/97/28/567999728.db2.gz PIKCQMOSORPBOL-UHFFFAOYSA-N 1 2 372.288 2.222 20 30 FEEDLO C[C@@H]1C[N@@H+](CC(=O)N2CCC(Cc3ccccc3)CC2)C[C@H](C)N1CC#N ZINC000602854933 568002085 /nfs/dbraw/zinc/00/20/85/568002085.db2.gz FFMCRQOLOJCTFH-KDURUIRLSA-N 1 2 368.525 2.386 20 30 FEEDLO C[C@@H]1C[N@H+](CC(=O)N2CCC(Cc3ccccc3)CC2)C[C@H](C)N1CC#N ZINC000602854933 568002086 /nfs/dbraw/zinc/00/20/86/568002086.db2.gz FFMCRQOLOJCTFH-KDURUIRLSA-N 1 2 368.525 2.386 20 30 FEEDLO C[C@H](C(=O)Nc1ccc(-c2c[nH]cn2)cc1)[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602855858 568002382 /nfs/dbraw/zinc/00/23/82/568002382.db2.gz XGQWKTGCGSPAFE-OWCLPIDISA-N 1 2 366.469 2.322 20 30 FEEDLO C[C@H](C(=O)Nc1ccc(-c2c[nH]cn2)cc1)[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602855858 568002383 /nfs/dbraw/zinc/00/23/83/568002383.db2.gz XGQWKTGCGSPAFE-OWCLPIDISA-N 1 2 366.469 2.322 20 30 FEEDLO COc1ccc([C@H](NC(=O)C[NH+]2C[C@@H](C)N(CC#N)[C@H](C)C2)C(C)C)cc1 ZINC000602856692 568002612 /nfs/dbraw/zinc/00/26/12/568002612.db2.gz MCIRJXVJVNAORR-CBGDNZLLSA-N 1 2 372.513 2.427 20 30 FEEDLO CC(C)Oc1cccc(CNC(=O)C[NH+]2C[C@@H](C)N(CC#N)[C@H](C)C2)c1 ZINC000602858814 568003011 /nfs/dbraw/zinc/00/30/11/568003011.db2.gz BWXWZWWCEDGLFB-IAGOWNOFSA-N 1 2 358.486 2.008 20 30 FEEDLO N#CCCN(C(=O)C[N@H+]1C[C@@H](O)[C@H](Oc2ccccc2)C1)c1ccccc1 ZINC000602923339 568017848 /nfs/dbraw/zinc/01/78/48/568017848.db2.gz HRLGATCERDKWAA-WOJBJXKFSA-N 1 2 365.433 2.057 20 30 FEEDLO N#CCCN(C(=O)C[N@@H+]1C[C@@H](O)[C@H](Oc2ccccc2)C1)c1ccccc1 ZINC000602923339 568017849 /nfs/dbraw/zinc/01/78/49/568017849.db2.gz HRLGATCERDKWAA-WOJBJXKFSA-N 1 2 365.433 2.057 20 30 FEEDLO CC(=O)Nc1ccc(S(=O)(=O)CCC[N@@H+](C)[C@H]2CCC[C@@H]2C#N)cc1 ZINC000602977336 568036257 /nfs/dbraw/zinc/03/62/57/568036257.db2.gz ACGZOPQVUVQXOI-QAPCUYQASA-N 1 2 363.483 2.433 20 30 FEEDLO CC(=O)Nc1ccc(S(=O)(=O)CCC[N@H+](C)[C@H]2CCC[C@@H]2C#N)cc1 ZINC000602977336 568036258 /nfs/dbraw/zinc/03/62/58/568036258.db2.gz ACGZOPQVUVQXOI-QAPCUYQASA-N 1 2 363.483 2.433 20 30 FEEDLO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602863121 568050053 /nfs/dbraw/zinc/05/00/53/568050053.db2.gz OQXPTNJWUOMCCC-SOUVJXGZSA-N 1 2 364.440 2.402 20 30 FEEDLO CC(C)[C@@H](C#N)N1CC[NH+](CC(=O)NCCCSc2ccccc2)CC1 ZINC000609484479 568344690 /nfs/dbraw/zinc/34/46/90/568344690.db2.gz CFQGFTFDFNQDKC-LJQANCHMSA-N 1 2 374.554 2.451 20 30 FEEDLO C=C1CC[NH+]([C@H](C)C(=O)Nc2sc3c(c2-c2nn[nH]n2)CCC3)CC1 ZINC000735403449 598504615 /nfs/dbraw/zinc/50/46/15/598504615.db2.gz WIIZCYYWFLBAAI-LLVKDONJSA-N 1 2 358.471 2.396 20 30 FEEDLO CC(=O)NCC[C@@H]1CCC[N@H+](CC(=O)Nc2sc(C)c(C)c2C#N)C1 ZINC000558155633 674485765 /nfs/dbraw/zinc/48/57/65/674485765.db2.gz IKTGNRYXOFMYKV-HNNXBMFYSA-N 1 2 362.499 2.413 20 30 FEEDLO CC(=O)NCC[C@@H]1CCC[N@@H+](CC(=O)Nc2sc(C)c(C)c2C#N)C1 ZINC000558155633 674485766 /nfs/dbraw/zinc/48/57/66/674485766.db2.gz IKTGNRYXOFMYKV-HNNXBMFYSA-N 1 2 362.499 2.413 20 30 FEEDLO CCC#C[C@H](C)[NH+]1CCN(c2oc(-c3ccco3)nc2-c2nn[nH]n2)CC1 ZINC000825029352 607958168 /nfs/dbraw/zinc/95/81/68/607958168.db2.gz QJVOMMASWJFDHL-ZDUSSCGKSA-N 1 2 367.413 2.039 20 30 FEEDLO Cn1c(CC#N)nn(C[N@@H+]2CCCN3c4ccccc4C[C@H]3C2)c1=S ZINC000811783605 674627089 /nfs/dbraw/zinc/62/70/89/674627089.db2.gz HACMYUAAIQCZSP-HNNXBMFYSA-N 1 2 354.483 2.112 20 30 FEEDLO Cn1c(CC#N)nn(C[N@H+]2CCCN3c4ccccc4C[C@H]3C2)c1=S ZINC000811783605 674627092 /nfs/dbraw/zinc/62/70/92/674627092.db2.gz HACMYUAAIQCZSP-HNNXBMFYSA-N 1 2 354.483 2.112 20 30 FEEDLO N#CCC(=O)N1CC[NH+](CCOc2ccc(OC(F)(F)F)cc2)CC1 ZINC000570290846 670691505 /nfs/dbraw/zinc/69/15/05/670691505.db2.gz AITFCKGVFXGMRG-UHFFFAOYSA-N 1 2 357.332 2.022 20 30 FEEDLO C[NH+](C)Cc1ccc(NS(=O)(=O)c2cncc(C#N)c2)cc1Cl ZINC000580683431 671824309 /nfs/dbraw/zinc/82/43/09/671824309.db2.gz YCEDMXVJRDVYHY-UHFFFAOYSA-N 1 2 350.831 2.469 20 30 FEEDLO C=CCOc1ccc(C[N@H+]2CCC[C@@H](NS(C)(=O)=O)C2)cc1Cl ZINC000154049584 672209919 /nfs/dbraw/zinc/20/99/19/672209919.db2.gz YMWPJXHAUDFPDH-CQSZACIVSA-N 1 2 358.891 2.418 20 30 FEEDLO C=CCOc1ccc(C[N@@H+]2CCC[C@@H](NS(C)(=O)=O)C2)cc1Cl ZINC000154049584 672209921 /nfs/dbraw/zinc/20/99/21/672209921.db2.gz YMWPJXHAUDFPDH-CQSZACIVSA-N 1 2 358.891 2.418 20 30 FEEDLO C[N@H+](CCCOc1ccc(S(C)(=O)=O)cc1)Cc1ccnc(C#N)c1 ZINC000610991595 676009256 /nfs/dbraw/zinc/00/92/56/676009256.db2.gz NZSVGIBDTJDMFV-UHFFFAOYSA-N 1 2 359.451 2.258 20 30 FEEDLO C[N@@H+](CCCOc1ccc(S(C)(=O)=O)cc1)Cc1ccnc(C#N)c1 ZINC000610991595 676009259 /nfs/dbraw/zinc/00/92/59/676009259.db2.gz NZSVGIBDTJDMFV-UHFFFAOYSA-N 1 2 359.451 2.258 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC3(CCOCC3)[C@@H]2C2CC2)cc1 ZINC000590777034 672616668 /nfs/dbraw/zinc/61/66/68/672616668.db2.gz ATORRSYBKTYRHI-SFHVURJKSA-N 1 2 360.479 2.223 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC3(CCOCC3)[C@@H]2C2CC2)cc1 ZINC000590777034 672616673 /nfs/dbraw/zinc/61/66/73/672616673.db2.gz ATORRSYBKTYRHI-SFHVURJKSA-N 1 2 360.479 2.223 20 30 FEEDLO N#Cc1cnccc1SCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000594907111 673177698 /nfs/dbraw/zinc/17/76/98/673177698.db2.gz CRHCUIPFQYGROT-UHFFFAOYSA-N 1 2 352.463 2.390 20 30 FEEDLO CN(C)C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000595826831 673328422 /nfs/dbraw/zinc/32/84/22/673328422.db2.gz PDYMPIWYEDARKK-CQSZACIVSA-N 1 2 352.385 2.347 20 30 FEEDLO CN(C)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000595826831 673328426 /nfs/dbraw/zinc/32/84/26/673328426.db2.gz PDYMPIWYEDARKK-CQSZACIVSA-N 1 2 352.385 2.347 20 30 FEEDLO CN1CC[N@H+](Cc2ccccc2)[C@@H](CNc2nc(C#N)c(Cl)s2)C1 ZINC000596550109 673393323 /nfs/dbraw/zinc/39/33/23/673393323.db2.gz CPTGLAACDWVJEL-AWEZNQCLSA-N 1 2 361.902 2.896 20 30 FEEDLO CN1CC[N@@H+](Cc2ccccc2)[C@@H](CNc2nc(C#N)c(Cl)s2)C1 ZINC000596550109 673393328 /nfs/dbraw/zinc/39/33/28/673393328.db2.gz CPTGLAACDWVJEL-AWEZNQCLSA-N 1 2 361.902 2.896 20 30 FEEDLO C[C@@H]1C[N@H+](CCNC(=O)NCc2ccc(C#N)c(Cl)c2)[C@H](C)CO1 ZINC000596593252 673396058 /nfs/dbraw/zinc/39/60/58/673396058.db2.gz CXNLBFJNLASXJM-CHWSQXEVSA-N 1 2 350.850 2.120 20 30 FEEDLO C[C@@H]1C[N@@H+](CCNC(=O)NCc2ccc(C#N)c(Cl)c2)[C@H](C)CO1 ZINC000596593252 673396062 /nfs/dbraw/zinc/39/60/62/673396062.db2.gz CXNLBFJNLASXJM-CHWSQXEVSA-N 1 2 350.850 2.120 20 30 FEEDLO CS(=O)(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000735308913 673490082 /nfs/dbraw/zinc/49/00/82/673490082.db2.gz YFKIDEPWJZQYHJ-HNNXBMFYSA-N 1 2 371.890 2.146 20 30 FEEDLO CS(=O)(=O)NC[C@@H]1CCCC[N@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000735308913 673490083 /nfs/dbraw/zinc/49/00/83/673490083.db2.gz YFKIDEPWJZQYHJ-HNNXBMFYSA-N 1 2 371.890 2.146 20 30 FEEDLO N#CCc1cccc2c1CC[N@@H+](CCNS(=O)(=O)c1ccccc1)C2 ZINC000599677602 673705303 /nfs/dbraw/zinc/70/53/03/673705303.db2.gz AFDAPJPJPRZFNU-UHFFFAOYSA-N 1 2 355.463 2.089 20 30 FEEDLO N#CCc1cccc2c1CC[N@H+](CCNS(=O)(=O)c1ccccc1)C2 ZINC000599677602 673705306 /nfs/dbraw/zinc/70/53/06/673705306.db2.gz AFDAPJPJPRZFNU-UHFFFAOYSA-N 1 2 355.463 2.089 20 30 FEEDLO Cc1cc(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)ncc1C#N ZINC000601856339 673899008 /nfs/dbraw/zinc/89/90/08/673899008.db2.gz UHTRVTDYBHWPRP-UHFFFAOYSA-N 1 2 353.451 2.140 20 30 FEEDLO N#Cc1ccc(OCCNC(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)cc1 ZINC000602108226 673902531 /nfs/dbraw/zinc/90/25/31/673902531.db2.gz HQAOBZUCPUQNAH-CQSZACIVSA-N 1 2 352.316 2.443 20 30 FEEDLO N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000548295391 673948431 /nfs/dbraw/zinc/94/84/31/673948431.db2.gz SWQKFVCUYYBJET-GFCCVEGCSA-N 1 2 370.356 2.067 20 30 FEEDLO C=CCN(C(=O)NCc1cc[nH+]c(N2CCSCC2)c1)[C@H](C)COC ZINC000637679301 677132437 /nfs/dbraw/zinc/13/24/37/677132437.db2.gz AIJYCWKUBJYFFF-OAHLLOKOSA-N 1 2 364.515 2.367 20 30 FEEDLO C#CCNC(=O)C1CC[NH+]([C@@H](C)C(=O)Nc2cc(Cl)ccc2F)CC1 ZINC000747818044 679905149 /nfs/dbraw/zinc/90/51/49/679905149.db2.gz FVAUPTLYECAFLU-LBPRGKRZSA-N 1 2 365.836 2.268 20 30 FEEDLO C=CC(C)(C)C(=O)N1CC[C@@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000831943827 680064927 /nfs/dbraw/zinc/06/49/27/680064927.db2.gz KIKNFDYTMLWBAT-OAHLLOKOSA-N 1 2 351.491 2.352 20 30 FEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nnsc2Cl)C1 ZINC001020715856 680113340 /nfs/dbraw/zinc/11/33/40/680113340.db2.gz MIMSCAODRPKZIO-MNXVOIDGSA-N 1 2 370.906 2.300 20 30 FEEDLO C=C(Br)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001024563065 680295099 /nfs/dbraw/zinc/29/50/99/680295099.db2.gz SBIHYDSOSFLDQQ-AYCBFJCHSA-N 1 2 369.303 2.289 20 30 FEEDLO C=C(Br)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001024563065 680295103 /nfs/dbraw/zinc/29/51/03/680295103.db2.gz SBIHYDSOSFLDQQ-AYCBFJCHSA-N 1 2 369.303 2.289 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC(C[N@@H+](C)Cc2cnsn2)CC1 ZINC001029965820 680394589 /nfs/dbraw/zinc/39/45/89/680394589.db2.gz BKXOATVVZOEDIQ-SJORKVTESA-N 1 2 364.515 2.190 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC(C[N@H+](C)Cc2cnsn2)CC1 ZINC001029965820 680394593 /nfs/dbraw/zinc/39/45/93/680394593.db2.gz BKXOATVVZOEDIQ-SJORKVTESA-N 1 2 364.515 2.190 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC(C[N@@H+](C)Cc2cnsn2)CC1 ZINC001030003170 680396401 /nfs/dbraw/zinc/39/64/01/680396401.db2.gz XSVBWXJRGJWZMS-IRXDYDNUSA-N 1 2 364.515 2.190 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC(C[N@H+](C)Cc2cnsn2)CC1 ZINC001030003170 680396406 /nfs/dbraw/zinc/39/64/06/680396406.db2.gz XSVBWXJRGJWZMS-IRXDYDNUSA-N 1 2 364.515 2.190 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2csnc2OC)C1 ZINC001033086878 680416225 /nfs/dbraw/zinc/41/62/25/680416225.db2.gz MMGGOCMVZBSYJL-XHSDSOJGSA-N 1 2 365.499 2.166 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2csnc2OC)C1 ZINC001033086878 680416228 /nfs/dbraw/zinc/41/62/28/680416228.db2.gz MMGGOCMVZBSYJL-XHSDSOJGSA-N 1 2 365.499 2.166 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2csnc2OC)C1 ZINC001033496555 680424546 /nfs/dbraw/zinc/42/45/46/680424546.db2.gz GKDLBKJVBVPTQW-PMPSAXMXSA-N 1 2 365.499 2.166 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2csnc2OC)C1 ZINC001033496555 680424548 /nfs/dbraw/zinc/42/45/48/680424548.db2.gz GKDLBKJVBVPTQW-PMPSAXMXSA-N 1 2 365.499 2.166 20 30 FEEDLO C=C(Br)C[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001034315176 680433200 /nfs/dbraw/zinc/43/32/00/680433200.db2.gz DJNTWASFNNHKCB-AYCBFJCHSA-N 1 2 369.303 2.289 20 30 FEEDLO C=C(Br)C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001034315176 680433202 /nfs/dbraw/zinc/43/32/02/680433202.db2.gz DJNTWASFNNHKCB-AYCBFJCHSA-N 1 2 369.303 2.289 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[N@H+](Cc2csc(C)c2)CCO1 ZINC001035540819 680450123 /nfs/dbraw/zinc/45/01/23/680450123.db2.gz DECWNKWQQDLAGB-BZSNNMDCSA-N 1 2 364.511 2.355 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[N@@H+](Cc2csc(C)c2)CCO1 ZINC001035540819 680450127 /nfs/dbraw/zinc/45/01/27/680450127.db2.gz DECWNKWQQDLAGB-BZSNNMDCSA-N 1 2 364.511 2.355 20 30 FEEDLO C=C(Br)C[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2c2ccnn2C)CC1 ZINC001003360119 680527113 /nfs/dbraw/zinc/52/71/13/680527113.db2.gz BIIPORHNOCHXLO-ZIAGYGMSSA-N 1 2 367.291 2.013 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC1CC[NH+]([C@H](C)c2nnc(C)s2)CC1 ZINC001003651431 680538029 /nfs/dbraw/zinc/53/80/29/680538029.db2.gz DAZQFXNHYVGRJR-DFBGVHRSSA-N 1 2 350.488 2.079 20 30 FEEDLO C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1Nc1nc(C#N)c(Cl)s1 ZINC001043425891 680581677 /nfs/dbraw/zinc/58/16/77/680581677.db2.gz IOQWQEQJUWQOAF-ZYHUDNBSSA-N 1 2 364.862 2.214 20 30 FEEDLO C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1Nc1nc(Cl)c(C#N)s1 ZINC001043579991 680588727 /nfs/dbraw/zinc/58/87/27/680588727.db2.gz NZJPMWZSQOUQIR-MWLCHTKSSA-N 1 2 364.862 2.283 20 30 FEEDLO C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1Nc1nc(Cl)c(C#N)s1 ZINC001043579991 680588732 /nfs/dbraw/zinc/58/87/32/680588732.db2.gz NZJPMWZSQOUQIR-MWLCHTKSSA-N 1 2 364.862 2.283 20 30 FEEDLO C=C(Cl)C(C)(C)C(=O)N1CC([C@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001006326006 680602638 /nfs/dbraw/zinc/60/26/38/680602638.db2.gz MELABKYAOMZRLC-ZLKJLUDKSA-N 1 2 364.877 2.255 20 30 FEEDLO C=C(Cl)C(C)(C)C(=O)N1CC([C@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001006326006 680602640 /nfs/dbraw/zinc/60/26/40/680602640.db2.gz MELABKYAOMZRLC-ZLKJLUDKSA-N 1 2 364.877 2.255 20 30 FEEDLO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCSC[C@H]2CCO)cc1C ZINC000759727580 680665632 /nfs/dbraw/zinc/66/56/32/680665632.db2.gz PCIBTINRRXBNPV-GOSISDBHSA-N 1 2 361.511 2.350 20 30 FEEDLO Cc1ccc(N(CCC#N)C(=O)C[N@H+]2CCSC[C@H]2CCO)cc1C ZINC000759727580 680665633 /nfs/dbraw/zinc/66/56/33/680665633.db2.gz PCIBTINRRXBNPV-GOSISDBHSA-N 1 2 361.511 2.350 20 30 FEEDLO CC(C)(C)OC(=O)NC1CC[NH+](CC(=O)N[C@@H](C#N)C(C)(C)C)CC1 ZINC000769263235 680975833 /nfs/dbraw/zinc/97/58/33/680975833.db2.gz NHZJRPADEFFICF-AWEZNQCLSA-N 1 2 352.479 2.030 20 30 FEEDLO C=C(Cl)CN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3C[C@H]3C3CCC3)C2)CC1 ZINC001052096162 681071491 /nfs/dbraw/zinc/07/14/91/681071491.db2.gz FVHDENVRDKWMSR-OKZBNKHCSA-N 1 2 351.922 2.394 20 30 FEEDLO CCC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](Nc2nc(Cl)c(C#N)s2)C1 ZINC001052711175 681083349 /nfs/dbraw/zinc/08/33/49/681083349.db2.gz JOGQSKIETYVKHY-NXEZZACHSA-N 1 2 364.862 2.218 20 30 FEEDLO Cc1nsc(NCC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2C)c1C#N ZINC001053399551 681097137 /nfs/dbraw/zinc/09/71/37/681097137.db2.gz ZUGAQERJIXHZGA-TZMCWYRMSA-N 1 2 358.471 2.116 20 30 FEEDLO CN(C[C@H](O)c1cccc(C#N)c1)c1cc(N2CCSCC2)nc[nH+]1 ZINC000845607752 681141033 /nfs/dbraw/zinc/14/10/33/681141033.db2.gz AXVBNDUFEAENNM-INIZCTEOSA-N 1 2 355.467 2.071 20 30 FEEDLO CN(C[C@H](O)c1cccc(C#N)c1)c1cc(N2CCSCC2)[nH+]cn1 ZINC000845607752 681141036 /nfs/dbraw/zinc/14/10/36/681141036.db2.gz AXVBNDUFEAENNM-INIZCTEOSA-N 1 2 355.467 2.071 20 30 FEEDLO CC[C@H](C(N)=O)[NH+]1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932944448 681332449 /nfs/dbraw/zinc/33/24/49/681332449.db2.gz VHWBSWNEGPVRSS-LYFYHCNISA-N 1 2 354.241 2.353 20 30 FEEDLO CC(C)(C#N)CS(=O)(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000913878049 685487435 /nfs/dbraw/zinc/48/74/35/685487435.db2.gz LMGZTEPMRLTERN-UHFFFAOYSA-N 1 2 353.463 2.213 20 30 FEEDLO CC(C)(C#N)CS(=O)(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000913878049 685487436 /nfs/dbraw/zinc/48/74/36/685487436.db2.gz LMGZTEPMRLTERN-UHFFFAOYSA-N 1 2 353.463 2.213 20 30 FEEDLO C[C@H]1CCN(S(=O)(=O)Cc2csc(C#N)c2)C[C@H]1n1cc[nH+]c1 ZINC000914248418 685500777 /nfs/dbraw/zinc/50/07/77/685500777.db2.gz QHFYJSDPFPZZPT-SWLSCSKDSA-N 1 2 350.469 2.229 20 30 FEEDLO C#CCNC(=O)C1CC[NH+](Cc2c(Cl)n(C)nc2C(F)(F)F)CC1 ZINC000782467777 682046212 /nfs/dbraw/zinc/04/62/12/682046212.db2.gz RBVDYBSPPNSJJL-UHFFFAOYSA-N 1 2 362.783 2.054 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1csnc1OC ZINC000960880831 682067752 /nfs/dbraw/zinc/06/77/52/682067752.db2.gz DRCSPCGULTWUOF-XHSDSOJGSA-N 1 2 365.499 2.166 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]1C[N@H+](C)Cc1csnc1OC ZINC000960880831 682067758 /nfs/dbraw/zinc/06/77/58/682067758.db2.gz DRCSPCGULTWUOF-XHSDSOJGSA-N 1 2 365.499 2.166 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3csc(CC)n3)C[C@H]21 ZINC000962009911 682106971 /nfs/dbraw/zinc/10/69/71/682106971.db2.gz AZPMJVFHDYSMMO-DTJSUFBGSA-N 1 2 361.511 2.233 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3csc(CC)n3)C[C@H]21 ZINC000962009911 682106973 /nfs/dbraw/zinc/10/69/73/682106973.db2.gz AZPMJVFHDYSMMO-DTJSUFBGSA-N 1 2 361.511 2.233 20 30 FEEDLO COc1ccc(NC(=S)N[NH+]=Cc2ccc(N(C)CCO)cc2)cc1 ZINC000915925548 685519652 /nfs/dbraw/zinc/51/96/52/685519652.db2.gz OOCFBTUROQMXDN-UHFFFAOYSA-N 1 2 358.467 2.444 20 30 FEEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](CC(=O)Nc3ccc(Cl)nc3)C2)nc1 ZINC000852076622 682215176 /nfs/dbraw/zinc/21/51/76/682215176.db2.gz UJEQFPGQMWLAHW-AWEZNQCLSA-N 1 2 357.801 2.093 20 30 FEEDLO N#Cc1ccc(O[C@H]2CC[N@H+](CC(=O)Nc3ccc(Cl)nc3)C2)nc1 ZINC000852076622 682215179 /nfs/dbraw/zinc/21/51/79/682215179.db2.gz UJEQFPGQMWLAHW-AWEZNQCLSA-N 1 2 357.801 2.093 20 30 FEEDLO C=CC[N@H+](CC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1)C(C)C ZINC000917070991 685529400 /nfs/dbraw/zinc/52/94/00/685529400.db2.gz LNVQYXNOBGRGDU-OAHLLOKOSA-N 1 2 370.540 2.160 20 30 FEEDLO C=CC[N@@H+](CC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1)C(C)C ZINC000917070991 685529401 /nfs/dbraw/zinc/52/94/01/685529401.db2.gz LNVQYXNOBGRGDU-OAHLLOKOSA-N 1 2 370.540 2.160 20 30 FEEDLO COC(=O)N(C)CC[N@H+](C)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000852569862 682301093 /nfs/dbraw/zinc/30/10/93/682301093.db2.gz KTUJBVYCNZHUAM-NSHDSACASA-N 1 2 364.471 2.065 20 30 FEEDLO COC(=O)N(C)CC[N@@H+](C)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000852569862 682301098 /nfs/dbraw/zinc/30/10/98/682301098.db2.gz KTUJBVYCNZHUAM-NSHDSACASA-N 1 2 364.471 2.065 20 30 FEEDLO C#C[C@@H]([NH2+][C@H](C(N)=O)c1ccc(Br)cc1F)C1CCOCC1 ZINC000853079285 682373540 /nfs/dbraw/zinc/37/35/40/682373540.db2.gz ZDSFHBLGAJDTID-CABCVRRESA-N 1 2 369.234 2.133 20 30 FEEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCC[C@@H]3C(F)(F)F)C2)C1 ZINC000972434990 682414612 /nfs/dbraw/zinc/41/46/12/682414612.db2.gz KCNZDYVEUXZYQL-HLLBOEOZSA-N 1 2 358.404 2.292 20 30 FEEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCC[C@@H]3C(F)(F)F)C2)C1 ZINC000972434990 682414619 /nfs/dbraw/zinc/41/46/19/682414619.db2.gz KCNZDYVEUXZYQL-HLLBOEOZSA-N 1 2 358.404 2.292 20 30 FEEDLO CC[C@H](NC(=O)[C@@H](C#N)C(=O)C[N@H+](C)[C@@H]1CCSC1)c1ccccc1 ZINC000787032005 682431484 /nfs/dbraw/zinc/43/14/84/682431484.db2.gz OERHUFBXGAUPQZ-IKGGRYGDSA-N 1 2 359.495 2.400 20 30 FEEDLO CC[C@H](NC(=O)[C@@H](C#N)C(=O)C[N@@H+](C)[C@@H]1CCSC1)c1ccccc1 ZINC000787032005 682431486 /nfs/dbraw/zinc/43/14/86/682431486.db2.gz OERHUFBXGAUPQZ-IKGGRYGDSA-N 1 2 359.495 2.400 20 30 FEEDLO C#CCC[N@@H+](CCOC)CN1Cc2cccc(Br)c2C1=O ZINC000853620876 682446468 /nfs/dbraw/zinc/44/64/68/682446468.db2.gz ICIIOXZADUSRTN-UHFFFAOYSA-N 1 2 351.244 2.334 20 30 FEEDLO C#CCC[N@H+](CCOC)CN1Cc2cccc(Br)c2C1=O ZINC000853620876 682446470 /nfs/dbraw/zinc/44/64/70/682446470.db2.gz ICIIOXZADUSRTN-UHFFFAOYSA-N 1 2 351.244 2.334 20 30 FEEDLO C#CC[C@H](COC)NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000858332748 682958528 /nfs/dbraw/zinc/95/85/28/682958528.db2.gz NHIROMDKXBSXPG-XYPHTWIQSA-N 1 2 351.397 2.048 20 30 FEEDLO C#CC[C@H](COC)NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000858332748 682958532 /nfs/dbraw/zinc/95/85/32/682958532.db2.gz NHIROMDKXBSXPG-XYPHTWIQSA-N 1 2 351.397 2.048 20 30 FEEDLO C=CCCC[C@H]1NC(=O)N(Cc2cc[nH+]c(N3CCSCC3)c2)C1=O ZINC000925040607 684519296 /nfs/dbraw/zinc/51/92/96/684519296.db2.gz OPJXDYQKYFIMDR-OAHLLOKOSA-N 1 2 360.483 2.412 20 30 FEEDLO Cn1c[nH+]c(CCNC(=O)N[C@@H](c2cccc(C#N)c2)C(F)(F)F)c1 ZINC000875658685 686058653 /nfs/dbraw/zinc/05/86/53/686058653.db2.gz BXWGGHYPDAWFJH-AWEZNQCLSA-N 1 2 351.332 2.437 20 30 FEEDLO C=CCOc1ccc(C[N@@H+]2CC[C@@H]3CS(=O)(=O)C[C@H]3C2)cc1OC ZINC000877787011 686457367 /nfs/dbraw/zinc/45/73/67/686457367.db2.gz DIBGVASNYQCPBA-HZPDHXFCSA-N 1 2 351.468 2.127 20 30 FEEDLO C=CCOc1ccc(C[N@H+]2CC[C@@H]3CS(=O)(=O)C[C@H]3C2)cc1OC ZINC000877787011 686457374 /nfs/dbraw/zinc/45/73/74/686457374.db2.gz DIBGVASNYQCPBA-HZPDHXFCSA-N 1 2 351.468 2.127 20 30 FEEDLO C=CC[C@H](C(=O)OC)[N@@H+]1CCCN(Cc2csc([C@@H](C)OC)n2)CC1 ZINC000878178210 686535355 /nfs/dbraw/zinc/53/53/55/686535355.db2.gz KNZIQEWNWRTSOK-GDBMZVCRSA-N 1 2 367.515 2.476 20 30 FEEDLO C=CC[C@H](C(=O)OC)[N@H+]1CCCN(Cc2csc([C@@H](C)OC)n2)CC1 ZINC000878178210 686535359 /nfs/dbraw/zinc/53/53/59/686535359.db2.gz KNZIQEWNWRTSOK-GDBMZVCRSA-N 1 2 367.515 2.476 20 30 FEEDLO C[C@@H]1C[NH+](C[C@@H](O)c2cccc(Br)c2)C[C@@H](C)N1CC#N ZINC000878774893 686656030 /nfs/dbraw/zinc/65/60/30/686656030.db2.gz CQPSIWRDGWWBQM-XJKCOSOUSA-N 1 2 352.276 2.401 20 30 FEEDLO CC[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)[C@@H](CO)c1ccccc1 ZINC000880462383 687051446 /nfs/dbraw/zinc/05/14/46/687051446.db2.gz SMVUOCVMQULHPB-IBGZPJMESA-N 1 2 358.463 2.387 20 30 FEEDLO CC[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)[C@@H](CO)c1ccccc1 ZINC000880462383 687051450 /nfs/dbraw/zinc/05/14/50/687051450.db2.gz SMVUOCVMQULHPB-IBGZPJMESA-N 1 2 358.463 2.387 20 30 FEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC(c2ccc(F)c(F)c2)CC1 ZINC000884126210 687795293 /nfs/dbraw/zinc/79/52/93/687795293.db2.gz TWUBJEGSBMOEDX-INIZCTEOSA-N 1 2 352.381 2.117 20 30 FEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC(Oc2ccccc2Cl)CC1 ZINC000884306336 687842412 /nfs/dbraw/zinc/84/24/12/687842412.db2.gz BGLCQBXCKNXJHF-HNNXBMFYSA-N 1 2 366.845 2.156 20 30 FEEDLO Cc1nc(N2CCN(C(=O)Nc3nc(Cl)c(C#N)s3)CC2)cc[nH+]1 ZINC000888417784 688608716 /nfs/dbraw/zinc/60/87/16/688608716.db2.gz OSQWIEBJHFBJPQ-UHFFFAOYSA-N 1 2 363.834 2.121 20 30 FEEDLO Cc1nsc(N2CC[NH+](Cc3ccc4[nH]c(=O)[nH]c4c3)CC2)c1C#N ZINC000894796265 689598127 /nfs/dbraw/zinc/59/81/27/689598127.db2.gz YRJZHKTYINLKDG-UHFFFAOYSA-N 1 2 354.439 2.227 20 30 FEEDLO C#CC1(O)CC[NH+](Cc2cccc(F)c2I)CC1 ZINC000895385468 689707733 /nfs/dbraw/zinc/70/77/33/689707733.db2.gz CYEKLSFSVWSIPO-UHFFFAOYSA-N 1 2 359.182 2.390 20 30 FEEDLO Cc1c(Br)ccc(OC[C@H](O)C[N@H+](C)CCC#N)c1[N+](=O)[O-] ZINC000899907511 690437507 /nfs/dbraw/zinc/43/75/07/690437507.db2.gz GKUTTXFVBJUBTH-LLVKDONJSA-N 1 2 372.219 2.251 20 30 FEEDLO Cc1c(Br)ccc(OC[C@H](O)C[N@@H+](C)CCC#N)c1[N+](=O)[O-] ZINC000899907511 690437510 /nfs/dbraw/zinc/43/75/10/690437510.db2.gz GKUTTXFVBJUBTH-LLVKDONJSA-N 1 2 372.219 2.251 20 30 FEEDLO CCS(=O)(=O)NC1CC[NH+](Cc2ccc(C#N)cc2OC(F)F)CC1 ZINC000903006316 690830025 /nfs/dbraw/zinc/83/00/25/690830025.db2.gz KYFIZOHJWZVDMJ-UHFFFAOYSA-N 1 2 373.425 2.063 20 30 FEEDLO Cc1cc(F)c(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)c(F)c1 ZINC000905615524 691151961 /nfs/dbraw/zinc/15/19/61/691151961.db2.gz CZDJMKVLTCRHAU-UHFFFAOYSA-N 1 2 351.378 2.103 20 30 FEEDLO COc1nc(N2CCC3(CC2)c2[nH+]cc(C)n2CCN3C)c(F)cc1C#N ZINC001164918577 721818614 /nfs/dbraw/zinc/81/86/14/721818614.db2.gz PWZNVHLVIBOKES-UHFFFAOYSA-N 1 2 370.432 2.047 20 30 FEEDLO C[C@@H](O)CNc1[nH+]c2ccccc2n1CC(=O)NCc1ccc(C#N)cc1 ZINC000519887887 819113687 /nfs/dbraw/zinc/11/36/87/819113687.db2.gz YWBXSAPDTGCYLL-CQSZACIVSA-N 1 2 363.421 2.017 20 30 FEEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+](CC(N)=O)C(C)C)c1C#N ZINC000014074751 539593886 /nfs/dbraw/zinc/59/38/86/539593886.db2.gz LPBPGAUXWZKGOB-UHFFFAOYSA-N 1 2 359.474 2.226 20 30 FEEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+](CC(N)=O)C(C)C)c1C#N ZINC000014074751 539593887 /nfs/dbraw/zinc/59/38/87/539593887.db2.gz LPBPGAUXWZKGOB-UHFFFAOYSA-N 1 2 359.474 2.226 20 30 FEEDLO CN(C(=O)CN1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CCCCC1 ZINC000022778747 539699099 /nfs/dbraw/zinc/69/90/99/539699099.db2.gz OQFPLHXKMFBHBE-UHFFFAOYSA-N 1 2 354.498 2.467 20 30 FEEDLO CN(C(=O)C[NH+]1CCN(Cc2ccc(C#N)cc2)CC1)C1CCCCC1 ZINC000022778747 539699103 /nfs/dbraw/zinc/69/91/03/539699103.db2.gz OQFPLHXKMFBHBE-UHFFFAOYSA-N 1 2 354.498 2.467 20 30 FEEDLO N#Cc1ccc(OCC(=O)N2CC[NH+](CCOc3ccccc3)CC2)cc1 ZINC000023146206 539707248 /nfs/dbraw/zinc/70/72/48/539707248.db2.gz QOCNJZPFSGVYMA-UHFFFAOYSA-N 1 2 365.433 2.160 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(CC(=O)NCc3cccs3)CC2)cc1 ZINC000023258469 539710078 /nfs/dbraw/zinc/71/00/78/539710078.db2.gz RARJDSTYKQDSJU-UHFFFAOYSA-N 1 2 354.479 2.054 20 30 FEEDLO C[C@@H]1C[C@H](C)CN(C(=O)CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000023257866 539710731 /nfs/dbraw/zinc/71/07/31/539710731.db2.gz IFVKMSOFILFQRT-HDICACEKSA-N 1 2 354.498 2.180 20 30 FEEDLO C[C@@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000023257866 539710734 /nfs/dbraw/zinc/71/07/34/539710734.db2.gz IFVKMSOFILFQRT-HDICACEKSA-N 1 2 354.498 2.180 20 30 FEEDLO N#CCOc1ccc(/C=C/C(=O)N2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000023800956 539720800 /nfs/dbraw/zinc/72/08/00/539720800.db2.gz NHRIWYOZZLZXBW-ZZXKWVIFSA-N 1 2 362.433 2.342 20 30 FEEDLO C[C@@H](C(=O)Nc1ccc(F)c(F)c1)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000029447155 539853338 /nfs/dbraw/zinc/85/33/38/539853338.db2.gz IQAVERCXTUJTPV-ZDUSSCGKSA-N 1 2 371.391 2.381 20 30 FEEDLO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)Nc3nc(C#N)c(C#N)[nH]3)cc2)C[C@H](C)O1 ZINC000029711653 539862045 /nfs/dbraw/zinc/86/20/45/539862045.db2.gz XJIPLNSKUNFVIB-BETUJISGSA-N 1 2 364.409 2.015 20 30 FEEDLO C[C@@H]1C[N@H+](Cc2ccc(C(=O)Nc3nc(C#N)c(C#N)[nH]3)cc2)C[C@H](C)O1 ZINC000029711653 539862049 /nfs/dbraw/zinc/86/20/49/539862049.db2.gz XJIPLNSKUNFVIB-BETUJISGSA-N 1 2 364.409 2.015 20 30 FEEDLO Cc1cccc(C(=O)N2CCC[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)CC2)c1 ZINC000029848793 539866110 /nfs/dbraw/zinc/86/61/10/539866110.db2.gz YLUMVAJZPJSCMZ-NRFANRHFSA-N 1 2 370.497 2.197 20 30 FEEDLO Cc1cccc(C(=O)N2CCC[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)CC2)c1 ZINC000029848793 539866114 /nfs/dbraw/zinc/86/61/14/539866114.db2.gz YLUMVAJZPJSCMZ-NRFANRHFSA-N 1 2 370.497 2.197 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cc4ccccc4c(=O)[nH]3)CC2)cc1 ZINC000029920366 539869385 /nfs/dbraw/zinc/86/93/85/539869385.db2.gz APAOBTPOXHIMJZ-UHFFFAOYSA-N 1 2 372.428 2.358 20 30 FEEDLO N#CCSc1ccccc1NC(=O)C[NH+]1CCC(NC(=O)C2CC2)CC1 ZINC000030280602 539877451 /nfs/dbraw/zinc/87/74/51/539877451.db2.gz CXGQFBCGMGZBCF-UHFFFAOYSA-N 1 2 372.494 2.231 20 30 FEEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)c2ccc(OC)cc2OC(C)C)c1C#N ZINC000530458833 539976799 /nfs/dbraw/zinc/97/67/99/539976799.db2.gz IUHFFJZJKDXCRX-UHFFFAOYSA-N 1 2 371.441 2.481 20 30 FEEDLO C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCN(Cc2ccc(F)cc2Cl)CC1 ZINC000042146262 540053012 /nfs/dbraw/zinc/05/30/12/540053012.db2.gz XHMOZLXCYFYFCS-AWEZNQCLSA-N 1 2 366.868 2.357 20 30 FEEDLO C[C@H]1CCCC[C@@H]1NC(=O)CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000045314517 540209730 /nfs/dbraw/zinc/20/97/30/540209730.db2.gz ZOPZVVQKHXAMOM-PXNSSMCTSA-N 1 2 354.498 2.371 20 30 FEEDLO O=C(NCC#Cc1ccccc1)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000047740887 540326321 /nfs/dbraw/zinc/32/63/21/540326321.db2.gz NWCARHAVSZKKLH-GOSISDBHSA-N 1 2 369.490 2.472 20 30 FEEDLO CCO[C@@H](C)c1ncc(C(=O)N=c2[nH][nH]c(CCC[NH2+]C)c2C#N)s1 ZINC000534791950 540412695 /nfs/dbraw/zinc/41/26/95/540412695.db2.gz MZUBWQRJOHWYDU-JTQLQIEISA-N 1 2 362.459 2.240 20 30 FEEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)c2cncn2-c2ccc(F)cc2)c1C#N ZINC000535505092 540478624 /nfs/dbraw/zinc/47/86/24/540478624.db2.gz HQWSSPHZZDKYNH-UHFFFAOYSA-N 1 2 367.388 2.010 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)CC(=O)N(C)C1CCCCC1 ZINC000052675275 540480883 /nfs/dbraw/zinc/48/08/83/540480883.db2.gz AURWYZDOUAEHDE-DNVCBOLYSA-N 1 2 350.507 2.152 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)CC(=O)N(C)C1CCCCC1 ZINC000052675275 540480885 /nfs/dbraw/zinc/48/08/85/540480885.db2.gz AURWYZDOUAEHDE-DNVCBOLYSA-N 1 2 350.507 2.152 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)CC(=O)N(C)C1CCCCC1 ZINC000052675279 540481112 /nfs/dbraw/zinc/48/11/12/540481112.db2.gz AURWYZDOUAEHDE-HNAYVOBHSA-N 1 2 350.507 2.152 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@@H+](C)CC(=O)N(C)C1CCCCC1 ZINC000052675279 540481116 /nfs/dbraw/zinc/48/11/16/540481116.db2.gz AURWYZDOUAEHDE-HNAYVOBHSA-N 1 2 350.507 2.152 20 30 FEEDLO N#Cc1ccnc(N2CC[NH+](CC(=O)NCCC3CCCCC3)CC2)c1 ZINC000052508698 540469781 /nfs/dbraw/zinc/46/97/81/540469781.db2.gz QCMNZMSTBVXMIA-UHFFFAOYSA-N 1 2 355.486 2.162 20 30 FEEDLO C=CC[N@@H+](CC(=O)N1CCN(C(C)=O)CC1)Cc1ccc(Cl)s1 ZINC000052892234 540497738 /nfs/dbraw/zinc/49/77/38/540497738.db2.gz CETOFMZXCVHGLI-UHFFFAOYSA-N 1 2 355.891 2.080 20 30 FEEDLO C=CC[N@H+](CC(=O)N1CCN(C(C)=O)CC1)Cc1ccc(Cl)s1 ZINC000052892234 540497743 /nfs/dbraw/zinc/49/77/43/540497743.db2.gz CETOFMZXCVHGLI-UHFFFAOYSA-N 1 2 355.891 2.080 20 30 FEEDLO COC(=O)[C@H]1Cc2ccccc2C[N@@H+]1CCC(=O)Nc1ccccc1C#N ZINC000054424406 540589510 /nfs/dbraw/zinc/58/95/10/540589510.db2.gz PSJYQIWFADHWAE-LJQANCHMSA-N 1 2 363.417 2.487 20 30 FEEDLO COC(=O)[C@H]1Cc2ccccc2C[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000054424406 540589511 /nfs/dbraw/zinc/58/95/11/540589511.db2.gz PSJYQIWFADHWAE-LJQANCHMSA-N 1 2 363.417 2.487 20 30 FEEDLO CN(Cc1[nH+]ccn1CC(F)(F)F)S(=O)(=O)c1cccc(C#N)c1 ZINC000057874551 540821193 /nfs/dbraw/zinc/82/11/93/540821193.db2.gz JZLJKVLBHYSFKX-UHFFFAOYSA-N 1 2 358.345 2.138 20 30 FEEDLO C[C@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)[NH+]1CCC(C#N)CC1 ZINC000057906953 540823224 /nfs/dbraw/zinc/82/32/24/540823224.db2.gz OJOZRXHMTACTFT-SFAMEIPESA-N 1 2 358.486 2.405 20 30 FEEDLO N#CC1(NC(=O)c2ccc(S(=O)(=O)Nc3cc[nH+]cc3)cc2)CCCC1 ZINC000124781638 209361612 /nfs/dbraw/zinc/36/16/12/209361612.db2.gz OPTDMPRJCNUBOU-UHFFFAOYSA-N 1 2 370.434 2.449 20 30 FEEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)c2cnn(C)c2-c2ccccc2)c1C#N ZINC000538275206 540836221 /nfs/dbraw/zinc/83/62/21/540836221.db2.gz XTRQZLJTWJAXQG-UHFFFAOYSA-N 1 2 363.425 2.086 20 30 FEEDLO N#Cc1ccc(N2CC[NH+]([C@@H](C(=O)NC3CC3)c3ccccc3)CC2)nc1 ZINC000060481441 541114211 /nfs/dbraw/zinc/11/42/11/541114211.db2.gz YZGCUYUDSBFGDA-HXUWFJFHSA-N 1 2 361.449 2.095 20 30 FEEDLO CC[C@@H](C)Oc1cc(C(=O)N=c2[nH][nH]c(CCC[NH2+]C)c2C#N)ccn1 ZINC000540820319 541099752 /nfs/dbraw/zinc/09/97/52/541099752.db2.gz XVVJEHVGLFZNRV-GFCCVEGCSA-N 1 2 356.430 2.258 20 30 FEEDLO CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(C#N)cc2)c[nH+]1 ZINC000062062185 541144084 /nfs/dbraw/zinc/14/40/84/541144084.db2.gz VUJARAXHYKYZQE-UHFFFAOYSA-N 1 2 351.410 2.054 20 30 FEEDLO COCc1nc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cs1 ZINC000065050137 541224649 /nfs/dbraw/zinc/22/46/49/541224649.db2.gz VDNNQZIWMGAVLK-UHFFFAOYSA-N 1 2 356.451 2.119 20 30 FEEDLO C[C@@H](c1nc2ccccc2c(=O)[nH]1)[N@@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000066437699 541318653 /nfs/dbraw/zinc/31/86/53/541318653.db2.gz ZTQGIZMILUYPIH-HNNXBMFYSA-N 1 2 374.448 2.463 20 30 FEEDLO C[C@@H](c1nc2ccccc2c(=O)[nH]1)[N@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000066437699 541318655 /nfs/dbraw/zinc/31/86/55/541318655.db2.gz ZTQGIZMILUYPIH-HNNXBMFYSA-N 1 2 374.448 2.463 20 30 FEEDLO N#Cc1ccc(OC[C@H](O)C[NH+]2CCN(C(=O)C3CCCCC3)CC2)cc1 ZINC000066866390 541383203 /nfs/dbraw/zinc/38/32/03/541383203.db2.gz BNAIWUZURYGFBL-LJQANCHMSA-N 1 2 371.481 2.022 20 30 FEEDLO Cc1noc(C)c1C[NH+]1CCN([C@@H](C)C(=O)NC2(C#N)CCCCC2)CC1 ZINC000067410916 541459159 /nfs/dbraw/zinc/45/91/59/541459159.db2.gz OJLSYULSSORBCP-INIZCTEOSA-N 1 2 373.501 2.140 20 30 FEEDLO CCO[C@H](C)c1noc(C[N@H+](C)CCC(=O)Nc2ccccc2C#N)n1 ZINC000072761707 541860627 /nfs/dbraw/zinc/86/06/27/541860627.db2.gz YIFVNSKNEMOSJZ-CYBMUJFWSA-N 1 2 357.414 2.499 20 30 FEEDLO CCO[C@H](C)c1noc(C[N@@H+](C)CCC(=O)Nc2ccccc2C#N)n1 ZINC000072761707 541860630 /nfs/dbraw/zinc/86/06/30/541860630.db2.gz YIFVNSKNEMOSJZ-CYBMUJFWSA-N 1 2 357.414 2.499 20 30 FEEDLO CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)NC1CCN(CC#N)CC1 ZINC000074134963 542041656 /nfs/dbraw/zinc/04/16/56/542041656.db2.gz SEJWGRDYQJYPOM-UHFFFAOYSA-N 1 2 366.469 2.061 20 30 FEEDLO C=CCNC(=O)c1ccc(NC(=O)C2([NH+]3CCOCC3)CCCC2)cc1 ZINC000074508547 542092857 /nfs/dbraw/zinc/09/28/57/542092857.db2.gz DKXOPPYLVCBNSQ-UHFFFAOYSA-N 1 2 357.454 2.186 20 30 FEEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000077468627 542385088 /nfs/dbraw/zinc/38/50/88/542385088.db2.gz QKVHZNDMVKZGCJ-LSDHHAIUSA-N 1 2 361.515 2.448 20 30 FEEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000077468627 542385090 /nfs/dbraw/zinc/38/50/90/542385090.db2.gz QKVHZNDMVKZGCJ-LSDHHAIUSA-N 1 2 361.515 2.448 20 30 FEEDLO CC[C@H](c1nnc(SCCCC#N)n1CCN1CCOCC1)[NH+](C)C ZINC000078249387 542449037 /nfs/dbraw/zinc/44/90/37/542449037.db2.gz GOSJHCOVBMELQZ-OAHLLOKOSA-N 1 2 366.535 2.019 20 30 FEEDLO C#CC[NH+]1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC)CC1 ZINC000801869471 674153320 /nfs/dbraw/zinc/15/33/20/674153320.db2.gz DCSOEGAVBNLYGC-UHFFFAOYSA-N 1 2 359.861 2.286 20 30 FEEDLO Cc1cc(C)c(NC(=O)CN(CCC#N)CC[NH+]2CCOCC2)c(C)c1 ZINC000078681559 542476283 /nfs/dbraw/zinc/47/62/83/542476283.db2.gz WHGQDJPNZWYKJX-UHFFFAOYSA-N 1 2 358.486 2.098 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)CC(=O)Nc1cccc2ccccc21 ZINC000078681471 542476318 /nfs/dbraw/zinc/47/63/18/542476318.db2.gz AVUOIKJTTHRBGJ-UHFFFAOYSA-N 1 2 366.465 2.326 20 30 FEEDLO Cc1ccc([C@@H](C)NC(=O)CN(CCC#N)CC[NH+]2CCOCC2)cc1C ZINC000078687818 542476633 /nfs/dbraw/zinc/47/66/33/542476633.db2.gz WMHWGXUOPZBFKX-LJQANCHMSA-N 1 2 372.513 2.029 20 30 FEEDLO Cc1ccc(S(=O)(=O)N2CC[NH+](CCCSCC#N)CC2)cc1C ZINC000080626323 542597765 /nfs/dbraw/zinc/59/77/65/542597765.db2.gz QOGHHYLJMNCANK-UHFFFAOYSA-N 1 2 367.540 2.257 20 30 FEEDLO Cc1noc(C2CC[NH+]([C@@H]3CCN(c4sccc4C#N)C3=O)CC2)n1 ZINC000083185302 542693990 /nfs/dbraw/zinc/69/39/90/542693990.db2.gz XRHKYEAETKCZOE-CQSZACIVSA-N 1 2 357.439 2.296 20 30 FEEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN(C(=O)Nc2ccc(C)c(Cl)c2)CC1 ZINC000089422730 542763337 /nfs/dbraw/zinc/76/33/37/542763337.db2.gz NGJVIYNNJIVLBY-AWEZNQCLSA-N 1 2 364.877 2.489 20 30 FEEDLO Cc1noc(C)c1C[NH+]1CCN(C(=O)Cc2cccc(OCC#N)c2)CC1 ZINC000089718776 542770077 /nfs/dbraw/zinc/77/00/77/542770077.db2.gz BONIXJDPQBPRDO-UHFFFAOYSA-N 1 2 368.437 2.081 20 30 FEEDLO COc1cc(C#N)ccc1OCC[NH+]1CCN(c2ncccc2F)CC1 ZINC000090633006 542787686 /nfs/dbraw/zinc/78/76/86/542787686.db2.gz OYAVXTAVPAQUDG-UHFFFAOYSA-N 1 2 356.401 2.302 20 30 FEEDLO C=CC[N@@H+](Cc1c[nH]nc1-c1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000092361677 542859959 /nfs/dbraw/zinc/85/99/59/542859959.db2.gz UWAWBXICHTYGKB-INIZCTEOSA-N 1 2 361.467 2.260 20 30 FEEDLO C=CC[N@H+](Cc1c[nH]nc1-c1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000092361677 542859963 /nfs/dbraw/zinc/85/99/63/542859963.db2.gz UWAWBXICHTYGKB-INIZCTEOSA-N 1 2 361.467 2.260 20 30 FEEDLO CCNS(=O)(=O)[C@H]1CC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000092842964 542891774 /nfs/dbraw/zinc/89/17/74/542891774.db2.gz DJGHSGLJQWFMSN-HNNXBMFYSA-N 1 2 360.401 2.071 20 30 FEEDLO CCNS(=O)(=O)[C@H]1CC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000092842964 542891777 /nfs/dbraw/zinc/89/17/77/542891777.db2.gz DJGHSGLJQWFMSN-HNNXBMFYSA-N 1 2 360.401 2.071 20 30 FEEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000105299146 543170287 /nfs/dbraw/zinc/17/02/87/543170287.db2.gz FEYPPQHIBKCMBO-SJORKVTESA-N 1 2 356.470 2.365 20 30 FEEDLO CC[NH+](CC)Cc1nc(C2(NC(=O)c3ccc(C#N)cn3)CCCC2)no1 ZINC000107569072 543272789 /nfs/dbraw/zinc/27/27/89/543272789.db2.gz LGKXXLWUOBRBNB-UHFFFAOYSA-N 1 2 368.441 2.377 20 30 FEEDLO N#CCCSc1ccccc1NC(=O)C(=O)NCCCn1cc[nH+]c1 ZINC000108603276 543297417 /nfs/dbraw/zinc/29/74/17/543297417.db2.gz YTCYTBOITGQCML-UHFFFAOYSA-N 1 2 357.439 2.034 20 30 FEEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)CCC(=O)N(CCC#N)c1ccccc1 ZINC000111043884 543379696 /nfs/dbraw/zinc/37/96/96/543379696.db2.gz ZBLSEIKMGDSDLT-INIZCTEOSA-N 1 2 353.426 2.115 20 30 FEEDLO CCN(CCC#N)C(=O)C[N@H+](C)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000111270578 543391804 /nfs/dbraw/zinc/39/18/04/543391804.db2.gz IQOXGTDUZHAIMX-MRXNPFEDSA-N 1 2 362.861 2.139 20 30 FEEDLO CCN(CCC#N)C(=O)C[N@@H+](C)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000111270578 543391806 /nfs/dbraw/zinc/39/18/06/543391806.db2.gz IQOXGTDUZHAIMX-MRXNPFEDSA-N 1 2 362.861 2.139 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000112360153 543443628 /nfs/dbraw/zinc/44/36/28/543443628.db2.gz GSISNVRZVDNHST-WIBUTAKZSA-N 1 2 374.460 2.306 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000112360153 543443632 /nfs/dbraw/zinc/44/36/32/543443632.db2.gz GSISNVRZVDNHST-WIBUTAKZSA-N 1 2 374.460 2.306 20 30 FEEDLO CC(C)Cc1noc(CO[NH+]=C(N)c2ccc(N3CCCCC3)nc2)n1 ZINC000112969377 543470370 /nfs/dbraw/zinc/47/03/70/543470370.db2.gz KFUZDJUVCYBYAO-UHFFFAOYSA-N 1 2 358.446 2.491 20 30 FEEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN(CC(F)(F)C(F)F)CC1 ZINC000114492033 543521438 /nfs/dbraw/zinc/52/14/38/543521438.db2.gz QWOWJLUKMPUSGN-ZDUSSCGKSA-N 1 2 351.388 2.094 20 30 FEEDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)Cc2ccc(OCC#N)cc2)CC1 ZINC000114704431 543530971 /nfs/dbraw/zinc/53/09/71/543530971.db2.gz JJBAVFIAAFNGEA-KRWDZBQOSA-N 1 2 364.449 2.432 20 30 FEEDLO C[C@@H](C(=O)N(CCC#N)CC[NH+]1CCOCC1)c1c(F)cccc1F ZINC000120847898 543684886 /nfs/dbraw/zinc/68/48/86/543684886.db2.gz HHEGMZABGMZHRA-CQSZACIVSA-N 1 2 351.397 2.143 20 30 FEEDLO C=CCNC(=O)C[NH+]1CCN(Cc2ccc(OCC=C)c(Cl)c2)CC1 ZINC000122208577 543704242 /nfs/dbraw/zinc/70/42/42/543704242.db2.gz RYEBPLXHHRLTJE-UHFFFAOYSA-N 1 2 363.889 2.325 20 30 FEEDLO C[N@H+](CCOc1ccccc1F)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000128353376 544047831 /nfs/dbraw/zinc/04/78/31/544047831.db2.gz XTBDGVIKJGEBPH-UHFFFAOYSA-N 1 2 362.426 2.482 20 30 FEEDLO C[N@@H+](CCOc1ccccc1F)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000128353376 544047833 /nfs/dbraw/zinc/04/78/33/544047833.db2.gz XTBDGVIKJGEBPH-UHFFFAOYSA-N 1 2 362.426 2.482 20 30 FEEDLO COC(=O)c1ccc(C[N@H+](C)CCS(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000128447062 544053555 /nfs/dbraw/zinc/05/35/55/544053555.db2.gz WJZHYRRMXKPKHZ-UHFFFAOYSA-N 1 2 372.446 2.251 20 30 FEEDLO COC(=O)c1ccc(C[N@@H+](C)CCS(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000128447062 544053559 /nfs/dbraw/zinc/05/35/59/544053559.db2.gz WJZHYRRMXKPKHZ-UHFFFAOYSA-N 1 2 372.446 2.251 20 30 FEEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000128513657 544056547 /nfs/dbraw/zinc/05/65/47/544056547.db2.gz GNUDTJKVUXKWLC-OLZOCXBDSA-N 1 2 351.834 2.193 20 30 FEEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000128513657 544056550 /nfs/dbraw/zinc/05/65/50/544056550.db2.gz GNUDTJKVUXKWLC-OLZOCXBDSA-N 1 2 351.834 2.193 20 30 FEEDLO CC[C@H](C)NC(=O)CN1CC[NH+](Cc2cccc(OCCCC#N)c2)CC1 ZINC000129091642 544090193 /nfs/dbraw/zinc/09/01/93/544090193.db2.gz RYKWEGSWSHQRLV-SFHVURJKSA-N 1 2 372.513 2.401 20 30 FEEDLO N#Cc1ccc(NC(=O)CC[N@@H+]2CCn3c(nnc3C(F)(F)F)C2)cc1 ZINC000132765820 544243240 /nfs/dbraw/zinc/24/32/40/544243240.db2.gz MHWVTDCKQWRIMT-UHFFFAOYSA-N 1 2 364.331 2.013 20 30 FEEDLO N#Cc1ccc(NC(=O)CC[N@H+]2CCn3c(nnc3C(F)(F)F)C2)cc1 ZINC000132765820 544243242 /nfs/dbraw/zinc/24/32/42/544243242.db2.gz MHWVTDCKQWRIMT-UHFFFAOYSA-N 1 2 364.331 2.013 20 30 FEEDLO N#Cc1ccc(OC2CN(C(=O)NCc3cccnc3-n3cc[nH+]c3)C2)cc1 ZINC000133363372 544266387 /nfs/dbraw/zinc/26/63/87/544266387.db2.gz BVDPTSUUHNPZLG-UHFFFAOYSA-N 1 2 374.404 2.112 20 30 FEEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@H](Oc2ccccc2Cl)C1 ZINC000133103032 544256428 /nfs/dbraw/zinc/25/64/28/544256428.db2.gz SBDQYWBWIVDJIN-ZDUSSCGKSA-N 1 2 351.834 2.195 20 30 FEEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H](Oc2ccccc2Cl)C1 ZINC000133103032 544256431 /nfs/dbraw/zinc/25/64/31/544256431.db2.gz SBDQYWBWIVDJIN-ZDUSSCGKSA-N 1 2 351.834 2.195 20 30 FEEDLO COc1ccc(CN2CC[NH+](CC(=O)N3CCCCCC3)CC2)cc1C#N ZINC000134962900 544329648 /nfs/dbraw/zinc/32/96/48/544329648.db2.gz DSOVNUPVDJYKTO-UHFFFAOYSA-N 1 2 370.497 2.087 20 30 FEEDLO N#Cc1ccc(C(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)cc1 ZINC000139909091 544405753 /nfs/dbraw/zinc/40/57/53/544405753.db2.gz ODAQGXAZPZFQHK-UHFFFAOYSA-N 1 2 365.433 2.199 20 30 FEEDLO CC1(C)COCC[N@@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000140148412 544407255 /nfs/dbraw/zinc/40/72/55/544407255.db2.gz KXXUQOAPLOJFFG-UHFFFAOYSA-N 1 2 354.372 2.284 20 30 FEEDLO CC1(C)COCC[N@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000140148412 544407257 /nfs/dbraw/zinc/40/72/57/544407257.db2.gz KXXUQOAPLOJFFG-UHFFFAOYSA-N 1 2 354.372 2.284 20 30 FEEDLO CC[N@@H+](CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)C[C@H](C)C#N ZINC000140413869 544408799 /nfs/dbraw/zinc/40/87/99/544408799.db2.gz FUVYPCYCDJSDOL-MRXNPFEDSA-N 1 2 356.470 2.345 20 30 FEEDLO CC[N@H+](CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)C[C@H](C)C#N ZINC000140413869 544408801 /nfs/dbraw/zinc/40/88/01/544408801.db2.gz FUVYPCYCDJSDOL-MRXNPFEDSA-N 1 2 356.470 2.345 20 30 FEEDLO COc1ccccc1N1CC[C@H](O[NH+]=C(N)Cc2csc(C)n2)C1=O ZINC000151215325 544518350 /nfs/dbraw/zinc/51/83/50/544518350.db2.gz AVHLFPNHCHZPFC-HNNXBMFYSA-N 1 2 360.439 2.097 20 30 FEEDLO CC(C)(C)CCNC(=O)CO[NH+]=C(N)c1ccc(N2CCCCC2)nc1 ZINC000151322246 544528324 /nfs/dbraw/zinc/52/83/24/544528324.db2.gz KQYHPRSRIPQQEA-UHFFFAOYSA-N 1 2 361.490 2.261 20 30 FEEDLO N#CCCN(C(=O)[C@H]1CCn2c[nH+]cc2C1)c1ccc2c(c1)OCCO2 ZINC000152138813 544616698 /nfs/dbraw/zinc/61/66/98/544616698.db2.gz BIUJYTLZNZAWLL-AWEZNQCLSA-N 1 2 352.394 2.164 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](CCO)Cc2cccnc2)c1 ZINC000152328847 544640019 /nfs/dbraw/zinc/64/00/19/544640019.db2.gz NHNJVJQDLVKVCF-UHFFFAOYSA-N 1 2 366.465 2.440 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+](CCO)Cc2cccnc2)c1 ZINC000152328847 544640024 /nfs/dbraw/zinc/64/00/24/544640024.db2.gz NHNJVJQDLVKVCF-UHFFFAOYSA-N 1 2 366.465 2.440 20 30 FEEDLO CC[C@H]1C[N@@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CCN1CC(F)F ZINC000153634459 544802117 /nfs/dbraw/zinc/80/21/17/544802117.db2.gz XKOPGWBKKOWMGH-DOTOQJQBSA-N 1 2 362.424 2.325 20 30 FEEDLO CC[C@H]1C[N@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CCN1CC(F)F ZINC000153634459 544802120 /nfs/dbraw/zinc/80/21/20/544802120.db2.gz XKOPGWBKKOWMGH-DOTOQJQBSA-N 1 2 362.424 2.325 20 30 FEEDLO CC#CCC[NH+]1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 ZINC000155038403 544979844 /nfs/dbraw/zinc/97/98/44/544979844.db2.gz BUMAGPLYMRPIFC-UHFFFAOYSA-N 1 2 356.857 2.421 20 30 FEEDLO C[C@H]([NH2+]CC(=O)Nc1sccc1C#N)c1cn(-c2ccccc2)nn1 ZINC000185476897 327918467 /nfs/dbraw/zinc/91/84/67/327918467.db2.gz XWRABQSZGNAYPY-LBPRGKRZSA-N 1 2 352.423 2.490 20 30 FEEDLO CCS(=O)(=O)CCCCC[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000190297265 328198765 /nfs/dbraw/zinc/19/87/65/328198765.db2.gz IFGTYEBDACTKGH-UHFFFAOYSA-N 1 2 367.490 2.424 20 30 FEEDLO COC(=O)C1([N@H+](C)[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCCC1 ZINC000192690635 328333393 /nfs/dbraw/zinc/33/33/93/328333393.db2.gz JVBJXNSSZUDTOR-QGZVFWFLSA-N 1 2 355.438 2.471 20 30 FEEDLO COC(=O)C1([N@@H+](C)[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCCC1 ZINC000192690635 328333395 /nfs/dbraw/zinc/33/33/95/328333395.db2.gz JVBJXNSSZUDTOR-QGZVFWFLSA-N 1 2 355.438 2.471 20 30 FEEDLO CC[C@@H](C)NC(=O)[C@H](C)[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000027106604 324430930 /nfs/dbraw/zinc/43/09/30/324430930.db2.gz KPEYOWUDEQZJBR-KGLIPLIRSA-N 1 2 371.441 2.231 20 30 FEEDLO C[NH+]1CCN(S(=O)(=O)c2ccccc2CNc2ccc(C#N)cc2)CC1 ZINC000116872577 326039123 /nfs/dbraw/zinc/03/91/23/326039123.db2.gz XVSLJZDTYOUQTA-UHFFFAOYSA-N 1 2 370.478 2.106 20 30 FEEDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(c2cc(C#N)ccc2C(F)(F)F)CC1 ZINC000127629361 326509967 /nfs/dbraw/zinc/50/99/67/326509967.db2.gz JERIODUZEOMLLH-LBPRGKRZSA-N 1 2 366.387 2.366 20 30 FEEDLO N#Cc1nc(-c2ccco2)oc1N1CC[NH+](CCOC[C@H]2CCCO2)CC1 ZINC000152139869 326699833 /nfs/dbraw/zinc/69/98/33/326699833.db2.gz FIROZCJQMIUUOX-OAHLLOKOSA-N 1 2 372.425 2.124 20 30 FEEDLO COc1cc(C#N)ccc1OCC(=O)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000155459201 326788567 /nfs/dbraw/zinc/78/85/67/326788567.db2.gz WHMHRFZVJCYWNE-MRXNPFEDSA-N 1 2 366.421 2.126 20 30 FEEDLO COc1cc(C#N)ccc1OCC[NH+]1CCN(Cc2nc(C)c(C)o2)CC1 ZINC000157879425 326878144 /nfs/dbraw/zinc/87/81/44/326878144.db2.gz JJSNEWUWEHSJAA-UHFFFAOYSA-N 1 2 370.453 2.368 20 30 FEEDLO N#Cc1ccc(N2CCN(Cc3[nH+]ccn3CC(F)(F)F)CC2)nc1 ZINC000171380426 327135939 /nfs/dbraw/zinc/13/59/39/327135939.db2.gz TUBVKRQJYUGQPB-UHFFFAOYSA-N 1 2 350.348 2.034 20 30 FEEDLO Cc1cc(C#N)ccc1S(=O)(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000172672082 327214128 /nfs/dbraw/zinc/21/41/28/327214128.db2.gz YKKMXDQPJSREFM-GASCZTMLSA-N 1 2 365.499 2.033 20 30 FEEDLO Cc1cc(C#N)ccc1S(=O)(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000172672082 327214129 /nfs/dbraw/zinc/21/41/29/327214129.db2.gz YKKMXDQPJSREFM-GASCZTMLSA-N 1 2 365.499 2.033 20 30 FEEDLO Cc1c(C#N)cccc1NC(=O)C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000178525272 327590415 /nfs/dbraw/zinc/59/04/15/327590415.db2.gz YNAFNRKEUMMIMO-SUMWQHHRSA-N 1 2 351.410 2.111 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(Cc3noc(C4CCOCC4)n3)CC2)cc1 ZINC000264260332 329005498 /nfs/dbraw/zinc/00/54/98/329005498.db2.gz IBQUWMIJRPLWAV-UHFFFAOYSA-N 1 2 367.453 2.153 20 30 FEEDLO Cc1ccc(C#N)cc1NC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000265936643 329174529 /nfs/dbraw/zinc/17/45/29/329174529.db2.gz MDNUSNBSXGLJTJ-UHFFFAOYSA-N 1 2 354.414 2.039 20 30 FEEDLO C[N@H+](CC(=O)NCc1ccc(C#N)cc1)Cc1ccc([S@](C)=O)cc1 ZINC000267454712 329328960 /nfs/dbraw/zinc/32/89/60/329328960.db2.gz RLNPAUHZPZAEFV-VWLOTQADSA-N 1 2 355.463 2.044 20 30 FEEDLO C[N@@H+](CC(=O)NCc1ccc(C#N)cc1)Cc1ccc([S@](C)=O)cc1 ZINC000267454712 329328961 /nfs/dbraw/zinc/32/89/61/329328961.db2.gz RLNPAUHZPZAEFV-VWLOTQADSA-N 1 2 355.463 2.044 20 30 FEEDLO N#Cc1ccc(N2CC[NH+](Cc3cn4ccccc4n3)CC2)cc1[N+](=O)[O-] ZINC000267898415 329366696 /nfs/dbraw/zinc/36/66/96/329366696.db2.gz ANHWDUDBWOEYPE-UHFFFAOYSA-N 1 2 362.393 2.436 20 30 FEEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000286425247 330183930 /nfs/dbraw/zinc/18/39/30/330183930.db2.gz INUAYTMACWBZKF-OSAQELSMSA-N 1 2 355.360 2.378 20 30 FEEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000286425247 330183932 /nfs/dbraw/zinc/18/39/32/330183932.db2.gz INUAYTMACWBZKF-OSAQELSMSA-N 1 2 355.360 2.378 20 30 FEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H]1C[C@H](O)c1cnn(C)c1 ZINC000371460098 330244469 /nfs/dbraw/zinc/24/44/69/330244469.db2.gz QMTRNLBCPGELTD-QYZOEREBSA-N 1 2 368.437 2.094 20 30 FEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H]1C[C@H](O)c1cnn(C)c1 ZINC000371460098 330244471 /nfs/dbraw/zinc/24/44/71/330244471.db2.gz QMTRNLBCPGELTD-QYZOEREBSA-N 1 2 368.437 2.094 20 30 FEEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCCN(CC(F)(F)F)CC1 ZINC000155892786 545580788 /nfs/dbraw/zinc/58/07/88/545580788.db2.gz YEGDIIDCZXTXRL-AWEZNQCLSA-N 1 2 360.424 2.288 20 30 FEEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCCN(CC(F)(F)F)CC1 ZINC000155892786 545580793 /nfs/dbraw/zinc/58/07/93/545580793.db2.gz YEGDIIDCZXTXRL-AWEZNQCLSA-N 1 2 360.424 2.288 20 30 FEEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCCN(CC(F)(F)F)CC1 ZINC000155902445 545582689 /nfs/dbraw/zinc/58/26/89/545582689.db2.gz CKRLZKWYYAMSEA-CYBMUJFWSA-N 1 2 354.376 2.455 20 30 FEEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCCN(CC(F)(F)F)CC1 ZINC000155902445 545582692 /nfs/dbraw/zinc/58/26/92/545582692.db2.gz CKRLZKWYYAMSEA-CYBMUJFWSA-N 1 2 354.376 2.455 20 30 FEEDLO CC(C)CCO[C@@H]1CC[N@H+](CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000156835042 545667593 /nfs/dbraw/zinc/66/75/93/545667593.db2.gz HGRCCMWWPVXNOP-QGZVFWFLSA-N 1 2 350.484 2.469 20 30 FEEDLO CC(C)CCO[C@@H]1CC[N@@H+](CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000156835042 545667601 /nfs/dbraw/zinc/66/76/01/545667601.db2.gz HGRCCMWWPVXNOP-QGZVFWFLSA-N 1 2 350.484 2.469 20 30 FEEDLO C[C@H]1CCCCN1C(=O)C[NH+]1CCN(Cc2cc(F)ccc2C#N)CC1 ZINC000158393288 545856823 /nfs/dbraw/zinc/85/68/23/545856823.db2.gz WUEFWDCJGPITDH-INIZCTEOSA-N 1 2 358.461 2.216 20 30 FEEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)S(=O)(=O)CC1(C#N)CC1 ZINC000165774910 546153779 /nfs/dbraw/zinc/15/37/79/546153779.db2.gz RILMGDBKCTVGKN-UHFFFAOYSA-N 1 2 362.499 2.253 20 30 FEEDLO N#CCCN(CCC#N)C(=O)CN1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000165825190 546155202 /nfs/dbraw/zinc/15/52/02/546155202.db2.gz FEGCMMADIUHNJQ-UHFFFAOYSA-N 1 2 373.888 2.114 20 30 FEEDLO CC#CC[NH+]1CCN(Cc2nc(=O)c3c4c(sc3[nH]2)CCCC4)CC1 ZINC000172733532 546266885 /nfs/dbraw/zinc/26/68/85/546266885.db2.gz HZGZRKPVTHJSQY-UHFFFAOYSA-N 1 2 356.495 2.004 20 30 FEEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCN(Cc2ccon2)CC1 ZINC000173630667 546284751 /nfs/dbraw/zinc/28/47/51/546284751.db2.gz KTVNLJYCZAZJAE-QGZVFWFLSA-N 1 2 367.453 2.128 20 30 FEEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)S(=O)(=O)CCCC#N ZINC000174034841 546289641 /nfs/dbraw/zinc/28/96/41/546289641.db2.gz XYROZCJXAPGMBW-UHFFFAOYSA-N 1 2 350.488 2.253 20 30 FEEDLO Cc1nc(CC(N)=[NH+]O[C@H](C)C(=O)N[C@@H]2CCOc3ccccc32)cs1 ZINC000174113587 546291748 /nfs/dbraw/zinc/29/17/48/546291748.db2.gz HVACCWLVDWTECD-IAQYHMDHSA-N 1 2 374.466 2.311 20 30 FEEDLO COc1cccc(-c2noc([C@@H](C)[NH2+][C@@H](C)C(=O)N(C)CCC#N)n2)c1 ZINC000174325116 546294481 /nfs/dbraw/zinc/29/44/81/546294481.db2.gz YYQWQGCWZPASKN-OLZOCXBDSA-N 1 2 357.414 2.156 20 30 FEEDLO N#CC1(C(=O)NCc2[nH+]ccn2CCCc2ccccc2)CCOCC1 ZINC000176509663 546455370 /nfs/dbraw/zinc/45/53/70/546455370.db2.gz QUPVBEZTVAWCRZ-UHFFFAOYSA-N 1 2 352.438 2.452 20 30 FEEDLO Cc1nc(CC(N)=[NH+]OCC(=O)N2CCC[C@@H]3CCCC[C@@H]32)cs1 ZINC000177560505 546643921 /nfs/dbraw/zinc/64/39/21/546643921.db2.gz RDHZVJNRPZNKJO-ZFWWWQNUSA-N 1 2 350.488 2.464 20 30 FEEDLO CC(C)N1CC[C@@H](O[NH+]=C(N)c2cccc(OCc3cccnc3)c2)C1=O ZINC000177573017 546647117 /nfs/dbraw/zinc/64/71/17/546647117.db2.gz ASIPOBJEHWGZOO-GOSISDBHSA-N 1 2 368.437 2.307 20 30 FEEDLO N#C[C@@H]1CN(C(=O)NCc2ccn3cc[nH+]c3c2)CCN1Cc1ccccc1 ZINC000177792489 546688280 /nfs/dbraw/zinc/68/82/80/546688280.db2.gz LOULQUSRPPSACO-LJQANCHMSA-N 1 2 374.448 2.254 20 30 FEEDLO N#Cc1ccccc1Oc1ccccc1C(=O)NCC[NH+]1CCOCC1 ZINC000181137910 547256316 /nfs/dbraw/zinc/25/63/16/547256316.db2.gz IPIKVZZSKLXUGP-UHFFFAOYSA-N 1 2 351.406 2.413 20 30 FEEDLO C=CCCC[C@H](C)NC(=O)N1CC[NH+](CC(=O)N2CCCC[C@H]2C)CC1 ZINC000181424524 547313153 /nfs/dbraw/zinc/31/31/53/547313153.db2.gz WKZMGCJFOZMPBT-ZWKOTPCHSA-N 1 2 364.534 2.459 20 30 FEEDLO CN(C)C(=O)CC1CC[NH+](CC(=O)Nc2cc(Cl)ccc2C#N)CC1 ZINC000182191455 547450182 /nfs/dbraw/zinc/45/01/82/547450182.db2.gz MVQJOKVXIKWRTR-UHFFFAOYSA-N 1 2 362.861 2.340 20 30 FEEDLO C=CCc1ccc(OC[C@H](O)C[NH+]2C[C@H](C)S(=O)[C@@H](C)C2)c(OC)c1 ZINC000484727817 561304551 /nfs/dbraw/zinc/30/45/51/561304551.db2.gz MFLFCZQIDAZGJE-YQQAZPJKSA-N 1 2 367.511 2.005 20 30 FEEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000184583676 547849748 /nfs/dbraw/zinc/84/97/48/547849748.db2.gz ZQMIVEIUADAMAT-IFXJQAMLSA-N 1 2 357.433 2.246 20 30 FEEDLO Cn1cc([C@@H]([NH2+]CC(=O)N[C@](C)(C#N)C2CC2)c2ccc(F)cc2)cn1 ZINC000184585048 547850471 /nfs/dbraw/zinc/85/04/71/547850471.db2.gz CNAHNFSTKSVXQW-RBUKOAKNSA-N 1 2 355.417 2.047 20 30 FEEDLO Cc1cccc2[nH+]c(CNC(=O)Nc3cnn(-c4ncccc4C#N)c3)cn21 ZINC000184599933 547852411 /nfs/dbraw/zinc/85/24/11/547852411.db2.gz BBLRAEGNGCHKQK-UHFFFAOYSA-N 1 2 372.392 2.417 20 30 FEEDLO C[C@H](c1nccs1)N1CC[NH+](C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000184670819 547863686 /nfs/dbraw/zinc/86/36/86/547863686.db2.gz GTFZNOGLVYKTLK-NVXWUHKLSA-N 1 2 372.494 2.133 20 30 FEEDLO C#CCC(C)(C)C(=O)N1CC[NH+](Cc2cc(OC)c(OC)c(OC)c2)CC1 ZINC000185784000 548034719 /nfs/dbraw/zinc/03/47/19/548034719.db2.gz CBDRMTJFDXZZMA-UHFFFAOYSA-N 1 2 374.481 2.406 20 30 FEEDLO C=CCOc1cccc(C[NH+]2CCN(Cc3nc(COC)no3)CC2)c1 ZINC000188793916 548288398 /nfs/dbraw/zinc/28/83/98/548288398.db2.gz ZZWJERKPVWDEQB-UHFFFAOYSA-N 1 2 358.442 2.099 20 30 FEEDLO C[C@H](CC#N)N(C)C(=O)C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000190132808 548317184 /nfs/dbraw/zinc/31/71/84/548317184.db2.gz OIJXKBIUWZIGDM-CYBMUJFWSA-N 1 2 353.426 2.462 20 30 FEEDLO C=CCN(CCOC)C(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000190743019 548333980 /nfs/dbraw/zinc/33/39/80/548333980.db2.gz DWRNFJYSMVYVTP-UHFFFAOYSA-N 1 2 356.426 2.050 20 30 FEEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CCN(c2cnccn2)CC1 ZINC000192563243 548366345 /nfs/dbraw/zinc/36/63/45/548366345.db2.gz MLZYRHJEKRNKLY-MRXNPFEDSA-N 1 2 371.510 2.263 20 30 FEEDLO C=CCn1c2nnc(SCc3cc[nH+]c(N)c3)n2c2ccccc2c1=O ZINC000193042473 548377858 /nfs/dbraw/zinc/37/78/58/548377858.db2.gz GBSJKVDSZRSZCZ-UHFFFAOYSA-N 1 2 364.434 2.500 20 30 FEEDLO C=CCc1ccccc1OC[C@H](O)C[NH+]1CCC(S(=O)(=O)CC)CC1 ZINC000193262842 548384086 /nfs/dbraw/zinc/38/40/86/548384086.db2.gz IZVHFABKTDAPND-QGZVFWFLSA-N 1 2 367.511 2.054 20 30 FEEDLO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000194920038 548549932 /nfs/dbraw/zinc/54/99/32/548549932.db2.gz ILGLSOSHKGHYEI-GOSISDBHSA-N 1 2 359.470 2.189 20 30 FEEDLO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000194920038 548549937 /nfs/dbraw/zinc/54/99/37/548549937.db2.gz ILGLSOSHKGHYEI-GOSISDBHSA-N 1 2 359.470 2.189 20 30 FEEDLO Cc1[nH+]c2cc(C)ccn2c1CN1CCN(C(=O)c2ccnc(C#N)c2)CC1 ZINC000195041509 548567922 /nfs/dbraw/zinc/56/79/22/548567922.db2.gz GSXHUIPCBPDFNA-UHFFFAOYSA-N 1 2 374.448 2.176 20 30 FEEDLO Cc1nc2cc(C)ccn2c1C[NH+]1CCN(C(=O)c2ccnc(C#N)c2)CC1 ZINC000195041509 548567925 /nfs/dbraw/zinc/56/79/25/548567925.db2.gz GSXHUIPCBPDFNA-UHFFFAOYSA-N 1 2 374.448 2.176 20 30 FEEDLO C[N@@H+]1CC[C@H](NS(=O)(=O)CCCCC#N)[C@H]1c1ccc(F)c(F)c1 ZINC000245701824 548978754 /nfs/dbraw/zinc/97/87/54/548978754.db2.gz QXHNYWVNLUMBKK-JKSUJKDBSA-N 1 2 357.426 2.323 20 30 FEEDLO C[N@H+]1CC[C@H](NS(=O)(=O)CCCCC#N)[C@H]1c1ccc(F)c(F)c1 ZINC000245701824 548978758 /nfs/dbraw/zinc/97/87/58/548978758.db2.gz QXHNYWVNLUMBKK-JKSUJKDBSA-N 1 2 357.426 2.323 20 30 FEEDLO C[N@@H+]1CC[C@H](NS(=O)(=O)CCCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246444643 549134830 /nfs/dbraw/zinc/13/48/30/549134830.db2.gz ITZIPVIOGOTCLA-LSDHHAIUSA-N 1 2 359.854 2.447 20 30 FEEDLO C[N@H+]1CC[C@H](NS(=O)(=O)CCCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246444643 549134833 /nfs/dbraw/zinc/13/48/33/549134833.db2.gz ITZIPVIOGOTCLA-LSDHHAIUSA-N 1 2 359.854 2.447 20 30 FEEDLO C=CCCCS(=O)(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1 ZINC000489116512 561403828 /nfs/dbraw/zinc/40/38/28/561403828.db2.gz XBFMRUUYIMODSI-HUUCEWRRSA-N 1 2 353.488 2.081 20 30 FEEDLO C=CCCCS(=O)(=O)NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000489124535 561404033 /nfs/dbraw/zinc/40/40/33/561404033.db2.gz CODZUTADDXJFIH-KRWDZBQOSA-N 1 2 351.516 2.083 20 30 FEEDLO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCO[C@H](c3cccc(O)c3)C2)cc1 ZINC000248030173 549401141 /nfs/dbraw/zinc/40/11/41/549401141.db2.gz QDNBWLAMDHSURB-QUCCMNQESA-N 1 2 354.406 2.077 20 30 FEEDLO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCO[C@H](c3cccc(O)c3)C2)cc1 ZINC000248030173 549401144 /nfs/dbraw/zinc/40/11/44/549401144.db2.gz QDNBWLAMDHSURB-QUCCMNQESA-N 1 2 354.406 2.077 20 30 FEEDLO COCC[N@H+](CC(=O)Nc1sc(C)c(C)c1C#N)[C@@H]1CCO[C@@H]1C ZINC000489514047 561413210 /nfs/dbraw/zinc/41/32/10/561413210.db2.gz PZJJJDACVCJULI-IUODEOHRSA-N 1 2 351.472 2.301 20 30 FEEDLO COCC[N@@H+](CC(=O)Nc1sc(C)c(C)c1C#N)[C@@H]1CCO[C@@H]1C ZINC000489514047 561413211 /nfs/dbraw/zinc/41/32/11/561413211.db2.gz PZJJJDACVCJULI-IUODEOHRSA-N 1 2 351.472 2.301 20 30 FEEDLO CC(=O)NC[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000249809140 549630608 /nfs/dbraw/zinc/63/06/08/549630608.db2.gz HIBSORSWAXKPCN-JSGCOSHPSA-N 1 2 374.510 2.284 20 30 FEEDLO CC(=O)NC[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000249809140 549630613 /nfs/dbraw/zinc/63/06/13/549630613.db2.gz HIBSORSWAXKPCN-JSGCOSHPSA-N 1 2 374.510 2.284 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000263697839 549921648 /nfs/dbraw/zinc/92/16/48/549921648.db2.gz MUGOCTMRIUQEOV-FQEVSTJZSA-N 1 2 372.469 2.248 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000263697839 549921650 /nfs/dbraw/zinc/92/16/50/549921650.db2.gz MUGOCTMRIUQEOV-FQEVSTJZSA-N 1 2 372.469 2.248 20 30 FEEDLO Cn1cc[nH+]c1[C@H](NC(=O)N1CCO[C@H](C#N)C1)c1ccc(Cl)cc1 ZINC000264398921 549995404 /nfs/dbraw/zinc/99/54/04/549995404.db2.gz OOMWYRPGSRCYAA-HUUCEWRRSA-N 1 2 359.817 2.097 20 30 FEEDLO COc1ccc(C(N)=[NH+]O[C@@H](C)C(=O)Nc2ccc(OC)cc2OC)cc1 ZINC000264943295 550003977 /nfs/dbraw/zinc/00/39/77/550003977.db2.gz IXPNKHQQOFRIPO-LBPRGKRZSA-N 1 2 373.409 2.377 20 30 FEEDLO CC[N@@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1)C[C@@H]1CCCO1 ZINC000265137669 550006662 /nfs/dbraw/zinc/00/66/62/550006662.db2.gz PBSRJZQTGGZFAF-DZGCQCFKSA-N 1 2 354.410 2.013 20 30 FEEDLO CC[N@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1)C[C@@H]1CCCO1 ZINC000265137669 550006665 /nfs/dbraw/zinc/00/66/65/550006665.db2.gz PBSRJZQTGGZFAF-DZGCQCFKSA-N 1 2 354.410 2.013 20 30 FEEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN(Cc2csc([C@@H](C)OCC)n2)CC1 ZINC000266575378 550021570 /nfs/dbraw/zinc/02/15/70/550021570.db2.gz FVRNDAXNOBRQCX-LSDHHAIUSA-N 1 2 366.531 2.049 20 30 FEEDLO C#CCC[NH+]1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000267463803 550032266 /nfs/dbraw/zinc/03/22/66/550032266.db2.gz LFWKGUSTIQNPLB-UHFFFAOYSA-N 1 2 366.215 2.138 20 30 FEEDLO CN(C(=O)CNC(=O)c1ccc(C#N)cc1)[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000492464452 561451448 /nfs/dbraw/zinc/45/14/48/561451448.db2.gz KYOGBZYAMJCMSS-LJQANCHMSA-N 1 2 373.416 2.259 20 30 FEEDLO CCc1ncc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cn1 ZINC000269517277 550203268 /nfs/dbraw/zinc/20/32/68/550203268.db2.gz GSFLYSOJUJKWQP-UHFFFAOYSA-N 1 2 350.426 2.260 20 30 FEEDLO N#CCCN(C(=O)C[N@@H+]1CC[C@@H](N2CCCC2=O)C1)c1cccc(Cl)c1 ZINC000270975837 550327168 /nfs/dbraw/zinc/32/71/68/550327168.db2.gz WSVQXSHAVLMQJX-QGZVFWFLSA-N 1 2 374.872 2.283 20 30 FEEDLO N#CCCN(C(=O)C[N@H+]1CC[C@@H](N2CCCC2=O)C1)c1cccc(Cl)c1 ZINC000270975837 550327172 /nfs/dbraw/zinc/32/71/72/550327172.db2.gz WSVQXSHAVLMQJX-QGZVFWFLSA-N 1 2 374.872 2.283 20 30 FEEDLO Cc1cc(NC(=O)c2ccccc2C[NH+]2CCOCC2)nn1CCC#N ZINC000271063687 550336566 /nfs/dbraw/zinc/33/65/66/550336566.db2.gz MAJNZXKMOIWQLJ-UHFFFAOYSA-N 1 2 353.426 2.190 20 30 FEEDLO C=CC[C@@H](CO)NC(=O)NCc1ccc(N2CCc3ccccc3C2)[nH+]c1 ZINC000273504352 550500940 /nfs/dbraw/zinc/50/09/40/550500940.db2.gz VTSFYMARYYRMFD-IBGZPJMESA-N 1 2 366.465 2.381 20 30 FEEDLO C=C[C@](C)(CCOC)C(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000275798611 550574441 /nfs/dbraw/zinc/57/44/41/550574441.db2.gz ZRBQABWUFZJDAX-HXUWFJFHSA-N 1 2 356.470 2.207 20 30 FEEDLO C[C@H]1c2nncn2CC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000276811545 550598667 /nfs/dbraw/zinc/59/86/67/550598667.db2.gz NILDSPKHESYBHG-NSHDSACASA-N 1 2 356.455 2.105 20 30 FEEDLO C[C@H]1c2nncn2CC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000276811545 550598669 /nfs/dbraw/zinc/59/86/69/550598669.db2.gz NILDSPKHESYBHG-NSHDSACASA-N 1 2 356.455 2.105 20 30 FEEDLO N#Cc1ccc([C@H](O)C[NH+]2CCN(c3nc(F)c(F)cc3F)CC2)cc1 ZINC000277392599 550664852 /nfs/dbraw/zinc/66/48/52/550664852.db2.gz YZUZIDRWVLECTO-MRXNPFEDSA-N 1 2 362.355 2.226 20 30 FEEDLO C=CC[N@@H+](CCc1ccco1)Cc1cnn([C@@]2(C)CCS(=O)(=O)C2)c1 ZINC000495151069 561483227 /nfs/dbraw/zinc/48/32/27/561483227.db2.gz ZIRSHEMRSPGYTH-SFHVURJKSA-N 1 2 363.483 2.241 20 30 FEEDLO C=CC[N@H+](CCc1ccco1)Cc1cnn([C@@]2(C)CCS(=O)(=O)C2)c1 ZINC000495151069 561483228 /nfs/dbraw/zinc/48/32/28/561483228.db2.gz ZIRSHEMRSPGYTH-SFHVURJKSA-N 1 2 363.483 2.241 20 30 FEEDLO N#Cc1cccc(-c2cc(C(=O)N3CCC[C@@H]3C[NH+]3CCOCC3)on2)c1 ZINC000278938878 550838133 /nfs/dbraw/zinc/83/81/33/550838133.db2.gz CUGCDBLZQXSUGZ-QGZVFWFLSA-N 1 2 366.421 2.150 20 30 FEEDLO CCOC(=O)C[N@H+](Cc1cn(CCC#N)nc1-c1ccncc1)C1CC1 ZINC000279386052 550883994 /nfs/dbraw/zinc/88/39/94/550883994.db2.gz KSTKGWHLBRSPCE-UHFFFAOYSA-N 1 2 353.426 2.386 20 30 FEEDLO CCOC(=O)C[N@@H+](Cc1cn(CCC#N)nc1-c1ccncc1)C1CC1 ZINC000279386052 550883995 /nfs/dbraw/zinc/88/39/95/550883995.db2.gz KSTKGWHLBRSPCE-UHFFFAOYSA-N 1 2 353.426 2.386 20 30 FEEDLO C[C@H]1OCC[C@@]12C[N@H+](Cc1nnc(-c3ccc(C#N)cc3)o1)C[C@@H](C)O2 ZINC000279746911 550924685 /nfs/dbraw/zinc/92/46/85/550924685.db2.gz LBEJVFXJIPSACW-PJIJBLCYSA-N 1 2 354.410 2.377 20 30 FEEDLO C[C@H]1OCC[C@@]12C[N@@H+](Cc1nnc(-c3ccc(C#N)cc3)o1)C[C@@H](C)O2 ZINC000279746911 550924686 /nfs/dbraw/zinc/92/46/86/550924686.db2.gz LBEJVFXJIPSACW-PJIJBLCYSA-N 1 2 354.410 2.377 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccnn1-c1ccc(F)cc1 ZINC000280648548 551017388 /nfs/dbraw/zinc/01/73/88/551017388.db2.gz SGBHSVBPEIFSMA-UHFFFAOYSA-N 1 2 357.433 2.059 20 30 FEEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](C)C(=O)N(CCC#N)c2ccccc2)C1=O ZINC000281358309 551088229 /nfs/dbraw/zinc/08/82/29/551088229.db2.gz NPRMNWDJEQKNAM-FUHWJXTLSA-N 1 2 354.454 2.040 20 30 FEEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H](C)C(=O)N(CCC#N)c2ccccc2)C1=O ZINC000281358309 551088231 /nfs/dbraw/zinc/08/82/31/551088231.db2.gz NPRMNWDJEQKNAM-FUHWJXTLSA-N 1 2 354.454 2.040 20 30 FEEDLO COCCCn1nccc1C[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000282778640 551269103 /nfs/dbraw/zinc/26/91/03/551269103.db2.gz KLOXJHBCAAIMNG-UHFFFAOYSA-N 1 2 357.433 2.253 20 30 FEEDLO N#Cc1cc(S(=O)(=O)N2CC[NH+](C3CC3)CC2)ccc1C(F)(F)F ZINC000282971963 551291512 /nfs/dbraw/zinc/29/15/12/551291512.db2.gz WSMFHGAWJOBZAM-UHFFFAOYSA-N 1 2 359.373 2.046 20 30 FEEDLO C=C(C)Cn1c(CC2CC2)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC000283280809 551341164 /nfs/dbraw/zinc/34/11/64/551341164.db2.gz NQEFCMCLTHVLAS-UHFFFAOYSA-N 1 2 356.474 2.425 20 30 FEEDLO C#CC[NH+]1CCN(c2nnc(-c3ccccc3F)n2C[C@H]2CCCO2)CC1 ZINC000283457652 551369511 /nfs/dbraw/zinc/36/95/11/551369511.db2.gz OPFFTGMISFTAMH-MRXNPFEDSA-N 1 2 369.444 2.018 20 30 FEEDLO Cc1nsc(NCc2ccc[nH+]c2N2CCC(C(N)=O)CC2)c1C#N ZINC000283722869 551416318 /nfs/dbraw/zinc/41/63/18/551416318.db2.gz GNDMNJAWITXUOI-UHFFFAOYSA-N 1 2 356.455 2.032 20 30 FEEDLO C[C@@H](Sc1ccc(C#N)cn1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000498161535 561517330 /nfs/dbraw/zinc/51/73/30/561517330.db2.gz HWWRXZCIWKTVMZ-CQSZACIVSA-N 1 2 353.451 2.178 20 30 FEEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC)CC1 ZINC000284246008 551506439 /nfs/dbraw/zinc/50/64/39/551506439.db2.gz CKPSBDXMYAVQDS-OAHLLOKOSA-N 1 2 357.433 2.332 20 30 FEEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cnc(C(C)(C)C)nc1 ZINC000284385332 551538020 /nfs/dbraw/zinc/53/80/20/551538020.db2.gz OSVSBWWVSVXUSP-AWEZNQCLSA-N 1 2 351.458 2.146 20 30 FEEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cnc(C(C)(C)C)nc1 ZINC000284385332 551538023 /nfs/dbraw/zinc/53/80/23/551538023.db2.gz OSVSBWWVSVXUSP-AWEZNQCLSA-N 1 2 351.458 2.146 20 30 FEEDLO C=CCCCCNC(=O)C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1F ZINC000284526054 551569749 /nfs/dbraw/zinc/56/97/49/551569749.db2.gz ZSBQJBVENYZHEZ-INIZCTEOSA-N 1 2 358.417 2.237 20 30 FEEDLO C=CCN(CCc1ccccc1)C(=O)C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000284692603 551609740 /nfs/dbraw/zinc/60/97/40/551609740.db2.gz WFJBQNKMRDZFNV-UHFFFAOYSA-N 1 2 366.465 2.021 20 30 FEEDLO C=CCN(CCc1ccco1)C(=O)C(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000284913778 551665946 /nfs/dbraw/zinc/66/59/46/551665946.db2.gz DZGPNACUCHZIHY-UHFFFAOYSA-N 1 2 366.421 2.109 20 30 FEEDLO COCCN(C)c1ccc(/C=C/C(=O)c2ccc3c(c2)OCC(=O)N3)c[nH+]1 ZINC000284973094 551680763 /nfs/dbraw/zinc/68/07/63/551680763.db2.gz FMBVMZAZVDYPCS-XVNBXDOJSA-N 1 2 367.405 2.391 20 30 FEEDLO N#C[C@H](C(=O)C[N@@H+]1CCC[C@H]1[C@H]1CCCO1)c1nc2ccccc2c(=O)[nH]1 ZINC000284977848 551681735 /nfs/dbraw/zinc/68/17/35/551681735.db2.gz XYCBOHLQZBGRRJ-UWWQBHOKSA-N 1 2 366.421 2.155 20 30 FEEDLO N#C[C@H](C(=O)C[N@H+]1CCC[C@H]1[C@H]1CCCO1)c1nc2ccccc2c(=O)[nH]1 ZINC000284977848 551681736 /nfs/dbraw/zinc/68/17/36/551681736.db2.gz XYCBOHLQZBGRRJ-UWWQBHOKSA-N 1 2 366.421 2.155 20 30 FEEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000285453625 551759022 /nfs/dbraw/zinc/75/90/22/551759022.db2.gz YRRUINRLZBBPLZ-UGSOOPFHSA-N 1 2 363.845 2.420 20 30 FEEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000285453625 551759024 /nfs/dbraw/zinc/75/90/24/551759024.db2.gz YRRUINRLZBBPLZ-UGSOOPFHSA-N 1 2 363.845 2.420 20 30 FEEDLO N#Cc1ccc(N2CC[C@H]([N@H+]3CC[C@H](C(F)(F)F)[C@H](CO)C3)C2=O)cc1 ZINC000286631055 551908496 /nfs/dbraw/zinc/90/84/96/551908496.db2.gz SNUINIVEOFNEKI-BPUTZDHNSA-N 1 2 367.371 2.156 20 30 FEEDLO N#Cc1ccc(N2CC[C@H]([N@@H+]3CC[C@H](C(F)(F)F)[C@H](CO)C3)C2=O)cc1 ZINC000286631055 551908497 /nfs/dbraw/zinc/90/84/97/551908497.db2.gz SNUINIVEOFNEKI-BPUTZDHNSA-N 1 2 367.371 2.156 20 30 FEEDLO C[C@@H](c1nccs1)[NH+]1CCN(c2cc(N)c([N+](=O)[O-])c(C#N)c2)CC1 ZINC000286990048 551948942 /nfs/dbraw/zinc/94/89/42/551948942.db2.gz UCYBFFBKODNLPW-NSHDSACASA-N 1 2 358.427 2.388 20 30 FEEDLO Cn1c2c([nH+]c1[C@@H]1CCCN1S(=O)(=O)c1ccc(C#N)o1)CCCC2 ZINC000287585524 552022171 /nfs/dbraw/zinc/02/21/71/552022171.db2.gz YMEBEGPOGDQIHG-HNNXBMFYSA-N 1 2 360.439 2.289 20 30 FEEDLO C=CCN1CC[C@H]([NH+]2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)C1=O ZINC000499770753 561558083 /nfs/dbraw/zinc/55/80/83/561558083.db2.gz GSUCBBCTBQXUNN-ZWKOTPCHSA-N 1 2 358.873 2.309 20 30 FEEDLO CC(C)[N@@H+]1CCc2nc(NS(=O)(=O)c3ccc(C#N)o3)sc2C1 ZINC000288601570 552183092 /nfs/dbraw/zinc/18/30/92/552183092.db2.gz OBCAHDMKXMZOBW-UHFFFAOYSA-N 1 2 352.441 2.175 20 30 FEEDLO CC(C)[N@H+]1CCc2nc(NS(=O)(=O)c3ccc(C#N)o3)sc2C1 ZINC000288601570 552183094 /nfs/dbraw/zinc/18/30/94/552183094.db2.gz OBCAHDMKXMZOBW-UHFFFAOYSA-N 1 2 352.441 2.175 20 30 FEEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N(CCC#N)c2cccc(Cl)c2)C1=O ZINC000499940308 561562434 /nfs/dbraw/zinc/56/24/34/561562434.db2.gz QTNQFMKVRVVHBI-KRWDZBQOSA-N 1 2 374.872 2.305 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N(CCC#N)c2cccc(Cl)c2)C1=O ZINC000499940308 561562435 /nfs/dbraw/zinc/56/24/35/561562435.db2.gz QTNQFMKVRVVHBI-KRWDZBQOSA-N 1 2 374.872 2.305 20 30 FEEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)N[C@@H](c2ccc(F)cc2)C(C)C)C1=O ZINC000499988085 561563625 /nfs/dbraw/zinc/56/36/25/561563625.db2.gz NOODWXZISGFPFW-IEBWSBKVSA-N 1 2 361.461 2.358 20 30 FEEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)N[C@@H](c2ccc(F)cc2)C(C)C)C1=O ZINC000499988085 561563626 /nfs/dbraw/zinc/56/36/26/561563626.db2.gz NOODWXZISGFPFW-IEBWSBKVSA-N 1 2 361.461 2.358 20 30 FEEDLO CC[C@@H]1CN(S(=O)(=O)c2cncc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000289426366 552319550 /nfs/dbraw/zinc/31/95/50/552319550.db2.gz IMZKHJMLLVTVNT-GOSISDBHSA-N 1 2 370.478 2.238 20 30 FEEDLO CC[C@@H]1CN(S(=O)(=O)c2cncc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000289426366 552319553 /nfs/dbraw/zinc/31/95/53/552319553.db2.gz IMZKHJMLLVTVNT-GOSISDBHSA-N 1 2 370.478 2.238 20 30 FEEDLO Cc1nsc(N2CC[NH+](C[C@H](O)COCc3ccccc3)CC2)c1C#N ZINC000289553637 552339845 /nfs/dbraw/zinc/33/98/45/552339845.db2.gz UPBYDOQRFDVPKD-KRWDZBQOSA-N 1 2 372.494 2.023 20 30 FEEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCc1c[nH+]cn1C ZINC000290182076 552439335 /nfs/dbraw/zinc/43/93/35/552439335.db2.gz ZDSSGURJJGKRMT-LBPRGKRZSA-N 1 2 357.439 2.069 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@@H](c3ccccc3F)C2)nc1 ZINC000290453295 552481288 /nfs/dbraw/zinc/48/12/88/552481288.db2.gz WBMSDTLGSQTHCU-OAHLLOKOSA-N 1 2 359.426 2.356 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@@H](c3ccccc3F)C2)nc1 ZINC000290453295 552481289 /nfs/dbraw/zinc/48/12/89/552481289.db2.gz WBMSDTLGSQTHCU-OAHLLOKOSA-N 1 2 359.426 2.356 20 30 FEEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CC[C@H](O)C[C@@H]2C)c1C#N ZINC000292325172 552716304 /nfs/dbraw/zinc/71/63/04/552716304.db2.gz FTBONGVAYQMZCE-BBRMVZONSA-N 1 2 370.453 2.402 20 30 FEEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CC[C@H](O)C[C@@H]2C)c1C#N ZINC000292325172 552716305 /nfs/dbraw/zinc/71/63/05/552716305.db2.gz FTBONGVAYQMZCE-BBRMVZONSA-N 1 2 370.453 2.402 20 30 FEEDLO C[C@H](c1nnnn1-c1ccccc1)[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292354147 552718707 /nfs/dbraw/zinc/71/87/07/552718707.db2.gz XPIWLALAEMAOEP-PBHICJAKSA-N 1 2 361.409 2.143 20 30 FEEDLO C[C@H](c1nnnn1-c1ccccc1)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292354147 552718708 /nfs/dbraw/zinc/71/87/08/552718708.db2.gz XPIWLALAEMAOEP-PBHICJAKSA-N 1 2 361.409 2.143 20 30 FEEDLO CC(C)c1[nH+]c2c(n1C)CCN(S(=O)(=O)c1ccc(C#N)c(F)c1)C2 ZINC000293306074 552809671 /nfs/dbraw/zinc/80/96/71/552809671.db2.gz IOBUFCAWRSEZNV-UHFFFAOYSA-N 1 2 362.430 2.301 20 30 FEEDLO N#C[C@@H]1CN(C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)C[C@H]1c1ccccc1 ZINC000293925775 552868466 /nfs/dbraw/zinc/86/84/66/552868466.db2.gz PXGZMECXRCYFBL-HSALFYBXSA-N 1 2 353.466 2.253 20 30 FEEDLO N#C[C@@H]1CN(C(=O)[C@H]2COCC[N@H+]2CC2CCC2)C[C@H]1c1ccccc1 ZINC000293925775 552868468 /nfs/dbraw/zinc/86/84/68/552868468.db2.gz PXGZMECXRCYFBL-HSALFYBXSA-N 1 2 353.466 2.253 20 30 FEEDLO C=CC[N@@H+](Cc1ccccc1N1CCO[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000294142974 552885443 /nfs/dbraw/zinc/88/54/43/552885443.db2.gz GQGVJTCZYJSJKI-WMZOPIPTSA-N 1 2 364.511 2.087 20 30 FEEDLO C=CC[N@H+](Cc1ccccc1N1CCO[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000294142974 552885444 /nfs/dbraw/zinc/88/54/44/552885444.db2.gz GQGVJTCZYJSJKI-WMZOPIPTSA-N 1 2 364.511 2.087 20 30 FEEDLO N#C[C@@]1(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC12CCCC2 ZINC000294610970 552920451 /nfs/dbraw/zinc/92/04/51/552920451.db2.gz ZXMCAUGDZGCBKH-GHTZIAJQSA-N 1 2 353.466 2.478 20 30 FEEDLO N#C[C@@]1(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC12CCCC2 ZINC000294610970 552920453 /nfs/dbraw/zinc/92/04/53/552920453.db2.gz ZXMCAUGDZGCBKH-GHTZIAJQSA-N 1 2 353.466 2.478 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3c(F)ccc(O)c3O)CC2)cc1 ZINC000294912249 552943599 /nfs/dbraw/zinc/94/35/99/552943599.db2.gz SNXUEQOKEBLAPH-UHFFFAOYSA-N 1 2 355.369 2.067 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(S(=O)(=O)CC3CC(F)(F)C3)CC2)cc1 ZINC000295412390 553002339 /nfs/dbraw/zinc/00/23/39/553002339.db2.gz XMDMZFUWBJFNFU-UHFFFAOYSA-N 1 2 369.437 2.051 20 30 FEEDLO CCn1cc([C@H](C)NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cn1 ZINC000297261621 553270575 /nfs/dbraw/zinc/27/05/75/553270575.db2.gz CQDOSZHYTLVYRR-INIZCTEOSA-N 1 2 366.469 2.363 20 30 FEEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)[C@H](C)OCc2ccc(C)cc2)c1C#N ZINC000600815825 553318352 /nfs/dbraw/zinc/31/83/52/553318352.db2.gz ZYPNPQCILHWATL-AWEZNQCLSA-N 1 2 355.442 2.286 20 30 FEEDLO COc1cc[nH+]cc1CNC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 ZINC000298007737 553370184 /nfs/dbraw/zinc/37/01/84/553370184.db2.gz OLJJELFMJMWIEF-GOSISDBHSA-N 1 2 365.437 2.010 20 30 FEEDLO C[C@H](C(=O)N1CCc2ccccc21)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000299000460 553501558 /nfs/dbraw/zinc/50/15/58/553501558.db2.gz ASFNTJOYWWPMGF-MRXNPFEDSA-N 1 2 361.449 2.053 20 30 FEEDLO C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000299009554 553502692 /nfs/dbraw/zinc/50/26/92/553502692.db2.gz CSGFYORVFGTUAK-NUJGCVRESA-N 1 2 355.486 2.159 20 30 FEEDLO CN(C(=O)C[N@@H+]1CCNC(=O)C[C@@H]1c1ccccc1)C1(C#N)CCCCC1 ZINC000299049575 553508508 /nfs/dbraw/zinc/50/85/08/553508508.db2.gz PMJSBYIPZDLUQH-GOSISDBHSA-N 1 2 368.481 2.234 20 30 FEEDLO CN(C(=O)C[N@H+]1CCNC(=O)C[C@@H]1c1ccccc1)C1(C#N)CCCCC1 ZINC000299049575 553508509 /nfs/dbraw/zinc/50/85/09/553508509.db2.gz PMJSBYIPZDLUQH-GOSISDBHSA-N 1 2 368.481 2.234 20 30 FEEDLO N#Cc1ccc(N2CC[NH+](CC(=O)NCc3cccc(Cl)c3)CC2)nc1 ZINC000299085519 553513327 /nfs/dbraw/zinc/51/33/27/553513327.db2.gz SJAILSANGZTBOZ-UHFFFAOYSA-N 1 2 369.856 2.045 20 30 FEEDLO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1/N=C/c1cccc(O)c1O ZINC000299311433 553546046 /nfs/dbraw/zinc/54/60/46/553546046.db2.gz VOAUKUGOOGJLMP-FYJGNVAPSA-N 1 2 369.421 2.245 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCCc3ccc(O)cc3)CC2)cc1 ZINC000299498759 553571981 /nfs/dbraw/zinc/57/19/81/553571981.db2.gz FRJNMCKAMOFYQZ-UHFFFAOYSA-N 1 2 364.449 2.334 20 30 FEEDLO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C#N)CC1 ZINC000301164658 553627430 /nfs/dbraw/zinc/62/74/30/553627430.db2.gz CMPVQGSYDUNNJK-CQSZACIVSA-N 1 2 371.441 2.036 20 30 FEEDLO C#Cc1cccc(NC(=O)CN(C)c2nc(C(C)C)[nH+]c(N(C)C)n2)c1 ZINC000301968054 553695323 /nfs/dbraw/zinc/69/53/23/553695323.db2.gz PEUVYJHDRDMMQY-UHFFFAOYSA-N 1 2 352.442 2.117 20 30 FEEDLO C=C(C)[C@@H](NC(=O)C[N@@H+](C)CC(=O)NC(C)C)c1ccc(F)c(F)c1 ZINC000505902043 561684494 /nfs/dbraw/zinc/68/44/94/561684494.db2.gz ZIFSDOZTNOBVNM-GOSISDBHSA-N 1 2 353.413 2.155 20 30 FEEDLO C=C(C)[C@@H](NC(=O)C[N@H+](C)CC(=O)NC(C)C)c1ccc(F)c(F)c1 ZINC000505902043 561684497 /nfs/dbraw/zinc/68/44/97/561684497.db2.gz ZIFSDOZTNOBVNM-GOSISDBHSA-N 1 2 353.413 2.155 20 30 FEEDLO N#Cc1ccc(OC2CCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)CC2)cc1 ZINC000328938756 553848949 /nfs/dbraw/zinc/84/89/49/553848949.db2.gz GVAUURXBRGQXQN-INIZCTEOSA-N 1 2 350.422 2.387 20 30 FEEDLO CNC(=O)Cc1nc(C[N@@H+]2CCOC[C@@H]2[C@@H]2CCC[C@@H]2OC)cs1 ZINC000328964463 553854119 /nfs/dbraw/zinc/85/41/19/553854119.db2.gz LXKRRDKNSHIIIR-ZNMIVQPWSA-N 1 2 353.488 2.288 20 30 FEEDLO CNC(=O)Cc1nc(C[N@H+]2CCOC[C@@H]2[C@@H]2CCC[C@@H]2OC)cs1 ZINC000328964463 553854120 /nfs/dbraw/zinc/85/41/20/553854120.db2.gz LXKRRDKNSHIIIR-ZNMIVQPWSA-N 1 2 353.488 2.288 20 30 FEEDLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N1CSC[C@H]1C(=O)NCC1CC1 ZINC000329017178 553865313 /nfs/dbraw/zinc/86/53/13/553865313.db2.gz GQBSRWOUBPTPFX-BMFZPTHFSA-N 1 2 374.510 2.422 20 30 FEEDLO Cc1ncc(C(=O)N[C@@H]2CCC(=O)N(C3CC3)[C@H]2c2c[nH+]cn2C)c(C)n1 ZINC000329212370 553903661 /nfs/dbraw/zinc/90/36/61/553903661.db2.gz ZVVJJUBOGFINBV-CRAIPNDOSA-N 1 2 368.441 2.026 20 30 FEEDLO CC[C@H]1CCN(C(=O)N[C@@H]2CCC(=O)N(C3CC3)[C@H]2c2c[nH+]cn2C)C1 ZINC000329243421 553909146 /nfs/dbraw/zinc/90/91/46/553909146.db2.gz SWQAHBMLVWVJSV-JCKWVBRZSA-N 1 2 359.474 2.261 20 30 FEEDLO O=C(NCc1cn2cc(Cl)ccc2[nH+]1)N1CCO[C@]2(CCCOC2)C1 ZINC000329260392 553913040 /nfs/dbraw/zinc/91/30/40/553913040.db2.gz FPTCPDMJQANQFT-QGZVFWFLSA-N 1 2 364.833 2.283 20 30 FEEDLO CC(C)Cn1ncc(NC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)c1C1CC1 ZINC000329284324 553917981 /nfs/dbraw/zinc/91/79/81/553917981.db2.gz NVNCSOMMFXYSOX-IRXDYDNUSA-N 1 2 361.490 2.367 20 30 FEEDLO CC(C)Cn1ncc(NC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)c1C1CC1 ZINC000329284324 553917984 /nfs/dbraw/zinc/91/79/84/553917984.db2.gz NVNCSOMMFXYSOX-IRXDYDNUSA-N 1 2 361.490 2.367 20 30 FEEDLO COCCn1cc2c(n1)[C@H](NC(=O)[C@H](C)[NH+]1CCSCC1)CCC2 ZINC000329333458 553927118 /nfs/dbraw/zinc/92/71/18/553927118.db2.gz KFIDRKPILUQFFQ-DZGCQCFKSA-N 1 2 352.504 2.301 20 30 FEEDLO COc1ccccc1N1CC[C@H](NC(=O)C2([NH+]3CCOCC3)CCC2)C1 ZINC000329334101 553927153 /nfs/dbraw/zinc/92/71/53/553927153.db2.gz NUIPZLMXCGHVSH-INIZCTEOSA-N 1 2 359.470 2.485 20 30 FEEDLO CNC(=O)[C@@H]1CCCN(C(=O)N[C@H](c2[nH+]ccn2C)C2CCOCC2)C1 ZINC000329344249 553928741 /nfs/dbraw/zinc/92/87/41/553928741.db2.gz QKLMEZZUCMBLBB-CABCVRRESA-N 1 2 363.462 2.100 20 30 FEEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)N[C@@H]3CCCOc4cc(Cl)ccc43)C[C@H]21 ZINC000329357073 553931809 /nfs/dbraw/zinc/93/18/09/553931809.db2.gz FYMRXJOIWREHEY-BFYDXBDKSA-N 1 2 365.861 2.483 20 30 FEEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)N[C@@H]3CCCOc4cc(Cl)ccc43)C[C@H]21 ZINC000329357073 553931810 /nfs/dbraw/zinc/93/18/10/553931810.db2.gz FYMRXJOIWREHEY-BFYDXBDKSA-N 1 2 365.861 2.483 20 30 FEEDLO Cc1nnc([C@@H]2CCC[N@@H+]([C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)[nH]1 ZINC000329427963 553944259 /nfs/dbraw/zinc/94/42/59/553944259.db2.gz JKFHRPQIKCKKPM-SJLPKXTDSA-N 1 2 364.453 2.360 20 30 FEEDLO Cc1nnc([C@@H]2CCC[N@H+]([C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)[nH]1 ZINC000329427963 553944262 /nfs/dbraw/zinc/94/42/62/553944262.db2.gz JKFHRPQIKCKKPM-SJLPKXTDSA-N 1 2 364.453 2.360 20 30 FEEDLO Cc1nc([C@@H]2CCC[N@H+]([C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)n[nH]1 ZINC000329427963 553944271 /nfs/dbraw/zinc/94/42/71/553944271.db2.gz JKFHRPQIKCKKPM-SJLPKXTDSA-N 1 2 364.453 2.360 20 30 FEEDLO C[NH+]1CCN(C(=O)c2cc(NC(=O)N3C[C@@H]4CCCC[C@@H]4C3)ccn2)CC1 ZINC000329457465 553950721 /nfs/dbraw/zinc/95/07/21/553950721.db2.gz QMYQLWDABPUKNP-IYBDPMFKSA-N 1 2 371.485 2.137 20 30 FEEDLO CCN1CCN(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)CC1=O ZINC000329472141 553953169 /nfs/dbraw/zinc/95/31/69/553953169.db2.gz ZKABZXUMFMUYFO-CYBMUJFWSA-N 1 2 365.503 2.085 20 30 FEEDLO CCN1CCN(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)CC1=O ZINC000329472141 553953171 /nfs/dbraw/zinc/95/31/71/553953171.db2.gz ZKABZXUMFMUYFO-CYBMUJFWSA-N 1 2 365.503 2.085 20 30 FEEDLO COCCn1cc2c(n1)[C@@H](NC(=O)N1CCC(c3c[nH+]c[nH]3)CC1)CCC2 ZINC000329529380 553962889 /nfs/dbraw/zinc/96/28/89/553962889.db2.gz TWSYBADTSHJUJG-INIZCTEOSA-N 1 2 372.473 2.424 20 30 FEEDLO COCCn1cc2c(n1)[C@@H](NC(=O)N1CCC(c3c[nH]c[nH+]3)CC1)CCC2 ZINC000329529380 553962894 /nfs/dbraw/zinc/96/28/94/553962894.db2.gz TWSYBADTSHJUJG-INIZCTEOSA-N 1 2 372.473 2.424 20 30 FEEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)N[C@H]3CCCOc4cc(Cl)ccc43)C[C@@H]21 ZINC000329544362 553964847 /nfs/dbraw/zinc/96/48/47/553964847.db2.gz FYMRXJOIWREHEY-YQQAZPJKSA-N 1 2 365.861 2.483 20 30 FEEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)N[C@H]3CCCOc4cc(Cl)ccc43)C[C@@H]21 ZINC000329544362 553964850 /nfs/dbraw/zinc/96/48/50/553964850.db2.gz FYMRXJOIWREHEY-YQQAZPJKSA-N 1 2 365.861 2.483 20 30 FEEDLO C[C@H](CNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1c1ncccn1)[NH+]1CCOCC1 ZINC000329589751 553972588 /nfs/dbraw/zinc/97/25/88/553972588.db2.gz NIBMPEHCMQIRTA-OWSLCNJRSA-N 1 2 373.501 2.291 20 30 FEEDLO COC1(CNC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)CCC(C)CC1 ZINC000329647166 553982211 /nfs/dbraw/zinc/98/22/11/553982211.db2.gz JDGJGVGSPBJGDD-HFCFLWKCSA-N 1 2 353.507 2.292 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ncn(-c4ccccc4)n3)CC2)cc1 ZINC000506960464 561712811 /nfs/dbraw/zinc/71/28/11/561712811.db2.gz LVECNMCQRQOFEZ-UHFFFAOYSA-N 1 2 372.432 2.097 20 30 FEEDLO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)NC[C@H]2CCCCS2)CC1 ZINC000329720248 553994997 /nfs/dbraw/zinc/99/49/97/553994997.db2.gz BPGKVHLEAZDRHF-MRXNPFEDSA-N 1 2 365.547 2.354 20 30 FEEDLO O=C(NCc1cccc(-n2ccnc2)c1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000329800323 554007958 /nfs/dbraw/zinc/00/79/58/554007958.db2.gz IJFNVKFJOZURSB-LJQANCHMSA-N 1 2 369.469 2.083 20 30 FEEDLO Cc1nsc(N2CC[NH+](CC(=O)N3[C@@H](C)CCC[C@@H]3C)CC2)c1C#N ZINC000329814173 554011054 /nfs/dbraw/zinc/01/10/54/554011054.db2.gz DRPWYUUVFHHMPI-KBPBESRZSA-N 1 2 361.515 2.235 20 30 FEEDLO C[NH+]1CCN(C(=O)c2cc(NC(=O)NC[C@@H]3CC=CCC3)ccn2)CC1 ZINC000329836498 554015625 /nfs/dbraw/zinc/01/56/25/554015625.db2.gz LTXNABNEJIWZLU-OAHLLOKOSA-N 1 2 357.458 2.151 20 30 FEEDLO C[NH+]1CCN(C(=O)c2cc(NC(=O)N[C@@H]3CCCC3(C)C)ccn2)CC1 ZINC000329852788 554018705 /nfs/dbraw/zinc/01/87/05/554018705.db2.gz RSIYIOCNNYCQGE-MRXNPFEDSA-N 1 2 359.474 2.183 20 30 FEEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CCC2 ZINC000507286604 561723635 /nfs/dbraw/zinc/72/36/35/561723635.db2.gz XNASSETVXKBEPB-IFXJQAMLSA-N 1 2 360.458 2.447 20 30 FEEDLO N#Cc1ccccc1N1CC[NH+](CC(=O)NCCc2ccc(F)cc2)CC1 ZINC000507283778 561723659 /nfs/dbraw/zinc/72/36/59/561723659.db2.gz YZILCVHXNULDFD-UHFFFAOYSA-N 1 2 366.440 2.178 20 30 FEEDLO C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@@H+]1CCO[C@]2(CCO[C@@H]2C)C1 ZINC000329895053 554026312 /nfs/dbraw/zinc/02/63/12/554026312.db2.gz BTMWCGZVORUXHS-HBUWYVDXSA-N 1 2 353.463 2.458 20 30 FEEDLO C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@H+]1CCO[C@]2(CCO[C@@H]2C)C1 ZINC000329895053 554026313 /nfs/dbraw/zinc/02/63/13/554026313.db2.gz BTMWCGZVORUXHS-HBUWYVDXSA-N 1 2 353.463 2.458 20 30 FEEDLO C[C@@H]1C(=O)CC[C@H](C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C1(C)C ZINC000329942211 554035941 /nfs/dbraw/zinc/03/59/41/554035941.db2.gz VLMJTFDCUAQBMA-UKRRQHHQSA-N 1 2 351.491 2.137 20 30 FEEDLO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)NC[C@H]1COc2ccccc2O1 ZINC000329941687 554035953 /nfs/dbraw/zinc/03/59/53/554035953.db2.gz VEUBPYTZNMQFID-HOTGVXAUSA-N 1 2 356.426 2.410 20 30 FEEDLO Cc1ccn2cc(CNC(=O)N3CCO[C@](C)(c4cnn(C)c4)C3)[nH+]c2c1 ZINC000329980654 554043306 /nfs/dbraw/zinc/04/33/06/554043306.db2.gz LTNSMJWAXHBQQL-IBGZPJMESA-N 1 2 368.441 2.038 20 30 FEEDLO Cc1cn2c([nH+]1)[C@H](CNS(=O)(=O)CC1(C#N)CCCCC1)CCC2 ZINC000330001805 554047336 /nfs/dbraw/zinc/04/73/36/554047336.db2.gz AOYSSSQAGTXUAH-HNNXBMFYSA-N 1 2 350.488 2.462 20 30 FEEDLO O=C(C[N@@H+]1CCN2C(=O)NC[C@H]2C1)NCCc1cccc(Cl)c1Cl ZINC000330002567 554047602 /nfs/dbraw/zinc/04/76/02/554047602.db2.gz BBYXBDVKQKEYCA-LBPRGKRZSA-N 1 2 371.268 2.406 20 30 FEEDLO O=C(C[N@H+]1CCN2C(=O)NC[C@H]2C1)NCCc1cccc(Cl)c1Cl ZINC000330002567 554047603 /nfs/dbraw/zinc/04/76/03/554047603.db2.gz BBYXBDVKQKEYCA-LBPRGKRZSA-N 1 2 371.268 2.406 20 30 FEEDLO CN(CC(C)(C)C[NH+]1CCOCC1)S(=O)(=O)CC1(C#N)CCCCC1 ZINC000330008269 554048578 /nfs/dbraw/zinc/04/85/78/554048578.db2.gz FGWJOAZDGZNEJD-UHFFFAOYSA-N 1 2 371.547 2.080 20 30 FEEDLO CCCNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000330062780 554057524 /nfs/dbraw/zinc/05/75/24/554057524.db2.gz PNCHDWITCVXDKP-WBVHZDCISA-N 1 2 351.491 2.235 20 30 FEEDLO CCCNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000330062780 554057525 /nfs/dbraw/zinc/05/75/25/554057525.db2.gz PNCHDWITCVXDKP-WBVHZDCISA-N 1 2 351.491 2.235 20 30 FEEDLO C[N@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)N[C@@H]2CCCC(F)(F)C2)C1 ZINC000330068679 554058620 /nfs/dbraw/zinc/05/86/20/554058620.db2.gz VQIDOBOFGHZKLD-ZIAGYGMSSA-N 1 2 353.417 2.475 20 30 FEEDLO C[N@@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)N[C@@H]2CCCC(F)(F)C2)C1 ZINC000330068679 554058621 /nfs/dbraw/zinc/05/86/21/554058621.db2.gz VQIDOBOFGHZKLD-ZIAGYGMSSA-N 1 2 353.417 2.475 20 30 FEEDLO C[C@@H]1C[N@H+](CC(=O)NC(=O)N[C@@H]2CCCC[C@@H]2C)C[C@]2(CCOC2)O1 ZINC000330082325 554061574 /nfs/dbraw/zinc/06/15/74/554061574.db2.gz ARYIIUWAGURRGU-BORJPKMPSA-N 1 2 353.463 2.315 20 30 FEEDLO C[C@@H]1C[N@@H+](CC(=O)NC(=O)N[C@@H]2CCCC[C@@H]2C)C[C@]2(CCOC2)O1 ZINC000330082325 554061575 /nfs/dbraw/zinc/06/15/75/554061575.db2.gz ARYIIUWAGURRGU-BORJPKMPSA-N 1 2 353.463 2.315 20 30 FEEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N1C[C@H](C)O[C@@]3(CCCOC3)C1)CCC2 ZINC000330134121 554071300 /nfs/dbraw/zinc/07/13/00/554071300.db2.gz RQWOYOKHBFNTDN-BXWFABGCSA-N 1 2 362.474 2.253 20 30 FEEDLO C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@@H]3CCOC4(CCC4)C3)CC2)CC1 ZINC000330208976 554085839 /nfs/dbraw/zinc/08/58/39/554085839.db2.gz HDVXHFGCBFNZAL-QGZVFWFLSA-N 1 2 364.534 2.150 20 30 FEEDLO CCn1cc[nH+]c1[C@H](NC(=O)N1CC[C@H](O)C[C@@H]1C)C1CCOCC1 ZINC000330211060 554086398 /nfs/dbraw/zinc/08/63/98/554086398.db2.gz IVOHEWOOAOGEFU-CWRNSKLLSA-N 1 2 350.463 2.130 20 30 FEEDLO C[C@@H](C(=O)NC1CCCC1)N1CC[NH+](CCOc2ccc(C#N)cc2)CC1 ZINC000507721176 561738945 /nfs/dbraw/zinc/73/89/45/561738945.db2.gz AHVKMJMXFYPOHD-KRWDZBQOSA-N 1 2 370.497 2.002 20 30 FEEDLO C=CCCc1ccccc1NC(=O)C(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000507753598 561739970 /nfs/dbraw/zinc/73/99/70/561739970.db2.gz IAKFHLCGAWRWIF-FUHWJXTLSA-N 1 2 371.481 2.065 20 30 FEEDLO Cc1nccc(NC(=O)N2CC[C@H](Oc3ccc[nH+]c3N3CCCC3)C2)n1 ZINC000330284922 554099178 /nfs/dbraw/zinc/09/91/78/554099178.db2.gz YDKKIVDSUFSXQP-HNNXBMFYSA-N 1 2 368.441 2.479 20 30 FEEDLO C[N@@H+]1CCO[C@@H]2CN(CC(=O)Nc3ccc4c(c3)OC3(CCCC3)O4)C[C@@H]21 ZINC000330336694 554107374 /nfs/dbraw/zinc/10/73/74/554107374.db2.gz SQLQRLUVHPFSJT-MAUKXSAKSA-N 1 2 373.453 2.331 20 30 FEEDLO C[N@H+]1CCO[C@@H]2CN(CC(=O)Nc3ccc4c(c3)OC3(CCCC3)O4)C[C@@H]21 ZINC000330336694 554107376 /nfs/dbraw/zinc/10/73/76/554107376.db2.gz SQLQRLUVHPFSJT-MAUKXSAKSA-N 1 2 373.453 2.331 20 30 FEEDLO CN1CCO[C@@H]2C[N@H+](CC(=O)Nc3ccc4c(c3)OC3(CCCC3)O4)C[C@@H]21 ZINC000330336694 554107378 /nfs/dbraw/zinc/10/73/78/554107378.db2.gz SQLQRLUVHPFSJT-MAUKXSAKSA-N 1 2 373.453 2.331 20 30 FEEDLO CN1CCO[C@@H]2C[N@@H+](CC(=O)Nc3ccc4c(c3)OC3(CCCC3)O4)C[C@@H]21 ZINC000330336694 554107379 /nfs/dbraw/zinc/10/73/79/554107379.db2.gz SQLQRLUVHPFSJT-MAUKXSAKSA-N 1 2 373.453 2.331 20 30 FEEDLO COC(=O)c1occc1C[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000507885392 561744527 /nfs/dbraw/zinc/74/45/27/561744527.db2.gz IUOQHTXTXUNHPZ-MRXNPFEDSA-N 1 2 353.378 2.223 20 30 FEEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2cnn(C)c2C#N)[C@H](C)C1 ZINC000508313703 561758499 /nfs/dbraw/zinc/75/84/99/561758499.db2.gz BOEZYWHGJJZPQW-OAHLLOKOSA-N 1 2 367.453 2.037 20 30 FEEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)c2cnn(C)c2C#N)[C@H](C)C1 ZINC000508313703 561758500 /nfs/dbraw/zinc/75/85/00/561758500.db2.gz BOEZYWHGJJZPQW-OAHLLOKOSA-N 1 2 367.453 2.037 20 30 FEEDLO C=CCn1c(Cc2ccccc2F)nnc1N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000508787810 561772824 /nfs/dbraw/zinc/77/28/24/561772824.db2.gz ADOSZGVDSHVVBB-KRWDZBQOSA-N 1 2 371.460 2.105 20 30 FEEDLO CCN(CC)C(=O)CN1CCN(C(=O)Nc2c(C)cc(C)[nH+]c2C)CC1 ZINC000331319800 554246625 /nfs/dbraw/zinc/24/66/25/554246625.db2.gz KINMHNZZPFNHGZ-UHFFFAOYSA-N 1 2 361.490 2.038 20 30 FEEDLO CO[C@H]1C[C@@H](CO)[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)C1 ZINC000331449447 554265976 /nfs/dbraw/zinc/26/59/76/554265976.db2.gz XADHIHQRDRXWAG-IRXDYDNUSA-N 1 2 374.485 2.112 20 30 FEEDLO CO[C@H]1C[C@@H](CO)[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)C1 ZINC000331449447 554265979 /nfs/dbraw/zinc/26/59/79/554265979.db2.gz XADHIHQRDRXWAG-IRXDYDNUSA-N 1 2 374.485 2.112 20 30 FEEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000331730378 554317395 /nfs/dbraw/zinc/31/73/95/554317395.db2.gz OZSZROSVRFHWHW-ZWKOTPCHSA-N 1 2 355.438 2.107 20 30 FEEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000331730378 554317398 /nfs/dbraw/zinc/31/73/98/554317398.db2.gz OZSZROSVRFHWHW-ZWKOTPCHSA-N 1 2 355.438 2.107 20 30 FEEDLO Cc1cc(S(=O)(=O)N2CC([N@H+](C)Cc3ccccc3)C2)ccc1C#N ZINC000510517669 561837325 /nfs/dbraw/zinc/83/73/25/561837325.db2.gz KRBIIRDCBIYFJJ-UHFFFAOYSA-N 1 2 355.463 2.372 20 30 FEEDLO Cc1cc(S(=O)(=O)N2CC([N@@H+](C)Cc3ccccc3)C2)ccc1C#N ZINC000510517669 561837326 /nfs/dbraw/zinc/83/73/26/561837326.db2.gz KRBIIRDCBIYFJJ-UHFFFAOYSA-N 1 2 355.463 2.372 20 30 FEEDLO N#CC1(F)CC[NH+](CC(=O)N2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000510951832 561852127 /nfs/dbraw/zinc/85/21/27/561852127.db2.gz OSVAGOFMZOGFEX-UHFFFAOYSA-N 1 2 364.852 2.316 20 30 FEEDLO C=CCNC(=O)Cc1noc([C@H](c2ccccc2)[NH+]2CCSCC2)n1 ZINC000350232982 554771015 /nfs/dbraw/zinc/77/10/15/554771015.db2.gz QSWUKURUUZSOCB-KRWDZBQOSA-N 1 2 358.467 2.053 20 30 FEEDLO N#CCC[N@@H+](CC(=O)N1CCC(NC(=O)c2ccccc2)CC1)CC1CC1 ZINC000361363067 554918518 /nfs/dbraw/zinc/91/85/18/554918518.db2.gz DDVJGKKXAGHVFY-UHFFFAOYSA-N 1 2 368.481 2.033 20 30 FEEDLO N#CCC[N@H+](CC(=O)N1CCC(NC(=O)c2ccccc2)CC1)CC1CC1 ZINC000361363067 554918520 /nfs/dbraw/zinc/91/85/20/554918520.db2.gz DDVJGKKXAGHVFY-UHFFFAOYSA-N 1 2 368.481 2.033 20 30 FEEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCCN(C(=O)C(C)(C)C)CC1 ZINC000363230280 555059516 /nfs/dbraw/zinc/05/95/16/555059516.db2.gz GEFLOCXQKNTJHV-MRXNPFEDSA-N 1 2 362.518 2.298 20 30 FEEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCCN(C(=O)C(C)(C)C)CC1 ZINC000363230280 555059519 /nfs/dbraw/zinc/05/95/19/555059519.db2.gz GEFLOCXQKNTJHV-MRXNPFEDSA-N 1 2 362.518 2.298 20 30 FEEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CCCC[C@H]2Cn2cccn2)c1 ZINC000363502011 555121985 /nfs/dbraw/zinc/12/19/85/555121985.db2.gz FUOSMVYFQPUXKC-KRWDZBQOSA-N 1 2 358.467 2.083 20 30 FEEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCCC[C@H]2Cn2cccn2)c1 ZINC000363502011 555121986 /nfs/dbraw/zinc/12/19/86/555121986.db2.gz FUOSMVYFQPUXKC-KRWDZBQOSA-N 1 2 358.467 2.083 20 30 FEEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCCN(C(=O)c2ccc[nH]2)CC1 ZINC000363654477 555155941 /nfs/dbraw/zinc/15/59/41/555155941.db2.gz HNBCHGSZLQEUPA-HNNXBMFYSA-N 1 2 365.437 2.061 20 30 FEEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCCN(C(=O)c2ccc[nH]2)CC1 ZINC000363654477 555155944 /nfs/dbraw/zinc/15/59/44/555155944.db2.gz HNBCHGSZLQEUPA-HNNXBMFYSA-N 1 2 365.437 2.061 20 30 FEEDLO CCO[C@H](C)c1noc(C[N@@H+]2CCCN(c3nccc(C)c3C#N)CC2)n1 ZINC000363670360 555160401 /nfs/dbraw/zinc/16/04/01/555160401.db2.gz JMEMOMULCZGBOQ-OAHLLOKOSA-N 1 2 370.457 2.455 20 30 FEEDLO CCO[C@H](C)c1noc(C[N@H+]2CCCN(c3nccc(C)c3C#N)CC2)n1 ZINC000363670360 555160403 /nfs/dbraw/zinc/16/04/03/555160403.db2.gz JMEMOMULCZGBOQ-OAHLLOKOSA-N 1 2 370.457 2.455 20 30 FEEDLO C=C(C)C[N@@H+](CC(=O)NCc1ccccc1OC)Cc1ccc(CO)o1 ZINC000512205130 561895984 /nfs/dbraw/zinc/89/59/84/561895984.db2.gz XVGDXMAORBLWQD-UHFFFAOYSA-N 1 2 358.438 2.475 20 30 FEEDLO C=C(C)C[N@H+](CC(=O)NCc1ccccc1OC)Cc1ccc(CO)o1 ZINC000512205130 561895986 /nfs/dbraw/zinc/89/59/86/561895986.db2.gz XVGDXMAORBLWQD-UHFFFAOYSA-N 1 2 358.438 2.475 20 30 FEEDLO COC(=O)[C@H]1C[N@H+](CC(=O)Nc2ccccc2SCC#N)CC1(C)C ZINC000364763609 555396066 /nfs/dbraw/zinc/39/60/66/555396066.db2.gz GFBAWQMIACYBCG-CYBMUJFWSA-N 1 2 361.467 2.372 20 30 FEEDLO COC(=O)[C@H]1C[N@@H+](CC(=O)Nc2ccccc2SCC#N)CC1(C)C ZINC000364763609 555396071 /nfs/dbraw/zinc/39/60/71/555396071.db2.gz GFBAWQMIACYBCG-CYBMUJFWSA-N 1 2 361.467 2.372 20 30 FEEDLO CC(=O)NCc1ccc([C@@H]2CCC[N@@H+]2CC(=O)NC2(C#N)CCCCC2)o1 ZINC000364914376 555436135 /nfs/dbraw/zinc/43/61/35/555436135.db2.gz NMKCWHSTHZMSFG-KRWDZBQOSA-N 1 2 372.469 2.395 20 30 FEEDLO CC(=O)NCc1ccc([C@@H]2CCC[N@H+]2CC(=O)NC2(C#N)CCCCC2)o1 ZINC000364914376 555436137 /nfs/dbraw/zinc/43/61/37/555436137.db2.gz NMKCWHSTHZMSFG-KRWDZBQOSA-N 1 2 372.469 2.395 20 30 FEEDLO CCCC[C@H](ON=C(C)C)C(=O)N1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000364922862 555439170 /nfs/dbraw/zinc/43/91/70/555439170.db2.gz WOCOFWZMYZIVDB-MOPGFXCFSA-N 1 2 366.550 2.444 20 30 FEEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[S@](=O)C[C@H](C)C1 ZINC000365440699 555576653 /nfs/dbraw/zinc/57/66/53/555576653.db2.gz DIAFMSIADVQZBK-YLKVCCEMSA-N 1 2 353.532 2.006 20 30 FEEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[S@](=O)C[C@H](C)C1 ZINC000365440699 555576655 /nfs/dbraw/zinc/57/66/55/555576655.db2.gz DIAFMSIADVQZBK-YLKVCCEMSA-N 1 2 353.532 2.006 20 30 FEEDLO C#CCCCC(=O)N1CC[NH+]([C@H]2CCCN(Cc3ccccc3)C2=O)CC1 ZINC000365463490 555582627 /nfs/dbraw/zinc/58/26/27/555582627.db2.gz IKFALILBPGLEDQ-FQEVSTJZSA-N 1 2 367.493 2.125 20 30 FEEDLO COC(=O)[C@H]1C[N@@H+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC12CCC2 ZINC000365709654 555647106 /nfs/dbraw/zinc/64/71/06/555647106.db2.gz FIFBUANQIKFGNS-IUODEOHRSA-N 1 2 359.426 2.370 20 30 FEEDLO COC(=O)[C@H]1C[N@H+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC12CCC2 ZINC000365709654 555647107 /nfs/dbraw/zinc/64/71/07/555647107.db2.gz FIFBUANQIKFGNS-IUODEOHRSA-N 1 2 359.426 2.370 20 30 FEEDLO Cc1cc(N2CCC(NC(=O)c3c(F)cc(C#N)cc3F)CC2)nc[nH+]1 ZINC000365956088 555710528 /nfs/dbraw/zinc/71/05/28/555710528.db2.gz AHDVMHPJLHIRQI-UHFFFAOYSA-N 1 2 357.364 2.334 20 30 FEEDLO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN(C[C@H](C#N)CCC#N)C2)CC1 ZINC000367552209 556080958 /nfs/dbraw/zinc/08/09/58/556080958.db2.gz MTSDLMXFOKSMSS-IRXDYDNUSA-N 1 2 361.490 2.057 20 30 FEEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCN(c2ccc(F)cn2)CC1 ZINC000367657013 556106284 /nfs/dbraw/zinc/10/62/84/556106284.db2.gz GWJNKKMAUHIBBZ-AWEZNQCLSA-N 1 2 353.401 2.242 20 30 FEEDLO COc1cc[nH+]cc1CNC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000367796960 556141566 /nfs/dbraw/zinc/14/15/66/556141566.db2.gz ILIGGZMCIAVICU-AWEZNQCLSA-N 1 2 354.385 2.244 20 30 FEEDLO N#Cc1ccc(OC(F)F)c(NC(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)c1 ZINC000367923029 556173775 /nfs/dbraw/zinc/17/37/75/556173775.db2.gz AOCURYCJHOHFKU-CYBMUJFWSA-N 1 2 366.368 2.144 20 30 FEEDLO N#Cc1ccc(OC(F)F)c(NC(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)c1 ZINC000367923029 556173776 /nfs/dbraw/zinc/17/37/76/556173776.db2.gz AOCURYCJHOHFKU-CYBMUJFWSA-N 1 2 366.368 2.144 20 30 FEEDLO O=C(Nc1cccc(C#Cc2ccccc2)c1)C(=O)N1CCn2c[nH+]cc2C1 ZINC000515022221 561992377 /nfs/dbraw/zinc/99/23/77/561992377.db2.gz GIYQJRMXVGIJEM-UHFFFAOYSA-N 1 2 370.412 2.264 20 30 FEEDLO COCC[N@H+](CC(=O)N(CCC#N)CCC#N)[C@H]1CCCc2cccnc21 ZINC000368375534 556291821 /nfs/dbraw/zinc/29/18/21/556291821.db2.gz WDTALAKYDIXTDQ-SFHVURJKSA-N 1 2 369.469 2.063 20 30 FEEDLO COCC[N@@H+](CC(=O)N(CCC#N)CCC#N)[C@H]1CCCc2cccnc21 ZINC000368375534 556291825 /nfs/dbraw/zinc/29/18/25/556291825.db2.gz WDTALAKYDIXTDQ-SFHVURJKSA-N 1 2 369.469 2.063 20 30 FEEDLO C=CCC[C@H](NC(=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000515245719 562002487 /nfs/dbraw/zinc/00/24/87/562002487.db2.gz ZTNRTSXLMMQQNT-SJORKVTESA-N 1 2 352.438 2.138 20 30 FEEDLO Cc1[nH+]c2ccccn2c1[C@@H]1C(=O)NCCN1CC#Cc1ccc(F)cc1 ZINC000368567534 556347910 /nfs/dbraw/zinc/34/79/10/556347910.db2.gz VWIPSAWKRICCQK-HXUWFJFHSA-N 1 2 362.408 2.306 20 30 FEEDLO C#CCN(Cc1ccccc1)C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000368617167 556364536 /nfs/dbraw/zinc/36/45/36/556364536.db2.gz GRAZIGYYWOBJBT-UHFFFAOYSA-N 1 2 350.466 2.294 20 30 FEEDLO C[N@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@H]1CCCCNC1=O ZINC000368893925 556441086 /nfs/dbraw/zinc/44/10/86/556441086.db2.gz VACLPLGJQPKZLU-HNNXBMFYSA-N 1 2 374.510 2.428 20 30 FEEDLO C[N@@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@H]1CCCCNC1=O ZINC000368893925 556441087 /nfs/dbraw/zinc/44/10/87/556441087.db2.gz VACLPLGJQPKZLU-HNNXBMFYSA-N 1 2 374.510 2.428 20 30 FEEDLO N#Cc1ccc(Cn2nnc([C@@H]3C[N@H+](Cc4ccccc4)CCO3)n2)cc1 ZINC000369256465 556552044 /nfs/dbraw/zinc/55/20/44/556552044.db2.gz YCGXKWTYMSXHLS-IBGZPJMESA-N 1 2 360.421 2.167 20 30 FEEDLO N#Cc1ccc(Cn2nnc([C@@H]3C[N@@H+](Cc4ccccc4)CCO3)n2)cc1 ZINC000369256465 556552046 /nfs/dbraw/zinc/55/20/46/556552046.db2.gz YCGXKWTYMSXHLS-IBGZPJMESA-N 1 2 360.421 2.167 20 30 FEEDLO Cc1ccn2cc(CNC(=O)C(=O)Nc3ccc(C#N)c(Cl)c3)[nH+]c2c1 ZINC000516092622 562030304 /nfs/dbraw/zinc/03/03/04/562030304.db2.gz JWVXVBYLOUINKU-UHFFFAOYSA-N 1 2 367.796 2.423 20 30 FEEDLO C[NH+]1CCN(C[C@H]2CCCN(C(=O)/C=C/c3cccc(C#N)c3)C2)CC1 ZINC000369310799 556571213 /nfs/dbraw/zinc/57/12/13/556571213.db2.gz SPCZMKULPMGOBH-AQKVLALTSA-N 1 2 352.482 2.057 20 30 FEEDLO Cc1ccn2cc(CNC(=O)C(=O)Nc3ccc(Cl)c(C#N)c3)[nH+]c2c1 ZINC000516485261 562044507 /nfs/dbraw/zinc/04/45/07/562044507.db2.gz YNLVZUZLSOHJKS-UHFFFAOYSA-N 1 2 367.796 2.423 20 30 FEEDLO N#CC1(NC(=O)[C@@H]2CCn3c(c[nH+]c3-c3ccccc3)C2)CCOCC1 ZINC000370049196 556767290 /nfs/dbraw/zinc/76/72/90/556767290.db2.gz GYAOBIZQBHYCRG-MRXNPFEDSA-N 1 2 350.422 2.301 20 30 FEEDLO CO[C@@H](C)c1noc(CN2CCC[N@H+](Cc3ccc(F)cc3C#N)CC2)n1 ZINC000370216504 556813175 /nfs/dbraw/zinc/81/31/75/556813175.db2.gz TXACFGRNLOTPNE-AWEZNQCLSA-N 1 2 373.432 2.496 20 30 FEEDLO CO[C@@H](C)c1noc(CN2CCC[N@@H+](Cc3ccc(F)cc3C#N)CC2)n1 ZINC000370216504 556813177 /nfs/dbraw/zinc/81/31/77/556813177.db2.gz TXACFGRNLOTPNE-AWEZNQCLSA-N 1 2 373.432 2.496 20 30 FEEDLO CO[C@H](C)c1noc(CN2CCC[N@H+](Cc3ccc(F)cc3C#N)CC2)n1 ZINC000370216505 556813187 /nfs/dbraw/zinc/81/31/87/556813187.db2.gz TXACFGRNLOTPNE-CQSZACIVSA-N 1 2 373.432 2.496 20 30 FEEDLO CO[C@H](C)c1noc(CN2CCC[N@@H+](Cc3ccc(F)cc3C#N)CC2)n1 ZINC000370216505 556813188 /nfs/dbraw/zinc/81/31/88/556813188.db2.gz TXACFGRNLOTPNE-CQSZACIVSA-N 1 2 373.432 2.496 20 30 FEEDLO CO/N=C/c1ccc(C(=O)NC2CCN(c3cc(C)[nH+]cn3)CC2)cc1 ZINC000370311076 556837193 /nfs/dbraw/zinc/83/71/93/556837193.db2.gz UTALBEKRSPJSMT-WSDLNYQXSA-N 1 2 353.426 2.164 20 30 FEEDLO Cc1n[nH]c(C2CC[NH+]([C@@H]3CCN(c4sccc4C#N)C3=O)CC2)n1 ZINC000370377264 556855140 /nfs/dbraw/zinc/85/51/40/556855140.db2.gz OJOBFLOHWYCBAZ-CQSZACIVSA-N 1 2 356.455 2.031 20 30 FEEDLO Cc1nc(C2CC[NH+]([C@@H]3CCN(c4sccc4C#N)C3=O)CC2)n[nH]1 ZINC000370377264 556855141 /nfs/dbraw/zinc/85/51/41/556855141.db2.gz OJOBFLOHWYCBAZ-CQSZACIVSA-N 1 2 356.455 2.031 20 30 FEEDLO N#Cc1ccc(SCC(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)cc1 ZINC000370545710 556904868 /nfs/dbraw/zinc/90/48/68/556904868.db2.gz HLZASLKUYLWADY-ROUUACIJSA-N 1 2 359.495 2.410 20 30 FEEDLO C=CCOc1cccc(NC(=O)C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)c1 ZINC000371324102 557146259 /nfs/dbraw/zinc/14/62/59/557146259.db2.gz UNLYTKDBXQUJLI-IBGZPJMESA-N 1 2 365.433 2.493 20 30 FEEDLO C=CCOc1cccc(NC(=O)C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)c1 ZINC000371324102 557146265 /nfs/dbraw/zinc/14/62/65/557146265.db2.gz UNLYTKDBXQUJLI-IBGZPJMESA-N 1 2 365.433 2.493 20 30 FEEDLO N#CC1(NC(=O)c2ccc3[nH]nnc3c2)CC[NH+](Cc2ccccc2)CC1 ZINC000371534207 557213531 /nfs/dbraw/zinc/21/35/31/557213531.db2.gz NBJCWNFWIOQLMR-UHFFFAOYSA-N 1 2 360.421 2.246 20 30 FEEDLO Cc1cn2c([nH+]1)CN(S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)CC2 ZINC000371699752 557267475 /nfs/dbraw/zinc/26/74/75/557267475.db2.gz JRSOOLKUSIVRDI-UHFFFAOYSA-N 1 2 370.356 2.287 20 30 FEEDLO Cc1noc([C@H]([NH2+][C@H](C)C(=O)Nc2ccccc2C#N)C2CCOCC2)n1 ZINC000372388923 557457335 /nfs/dbraw/zinc/45/73/35/557457335.db2.gz GJHZNEVWMULANF-SJKOYZFVSA-N 1 2 369.425 2.334 20 30 FEEDLO N#CC1(c2ccc(C(=O)Nc3cnn(CC[NH+]4CCOCC4)c3)cc2)CC1 ZINC000373189429 557646799 /nfs/dbraw/zinc/64/67/99/557646799.db2.gz GZMOVQLTEROMSP-UHFFFAOYSA-N 1 2 365.437 2.023 20 30 FEEDLO COc1ccc(OCC[N@@H+]2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)cc1 ZINC000374387776 557876828 /nfs/dbraw/zinc/87/68/28/557876828.db2.gz QWZNABKTRXXOBC-VFNWGFHPSA-N 1 2 363.417 2.419 20 30 FEEDLO COc1ccc(OCC[N@H+]2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)cc1 ZINC000374387776 557876830 /nfs/dbraw/zinc/87/68/30/557876830.db2.gz QWZNABKTRXXOBC-VFNWGFHPSA-N 1 2 363.417 2.419 20 30 FEEDLO C=CC[C@H](C(=O)N1CC[NH+](C2(C(N)=O)CCCC2)CC1)c1ccccc1 ZINC000375297178 558005799 /nfs/dbraw/zinc/00/57/99/558005799.db2.gz HYIWAEIJOIBPCN-SFHVURJKSA-N 1 2 355.482 2.289 20 30 FEEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000375652085 558062775 /nfs/dbraw/zinc/06/27/75/558062775.db2.gz JWHXPZZAWOVMNR-YTQPIUFNSA-N 1 2 363.502 2.187 20 30 FEEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000375652085 558062776 /nfs/dbraw/zinc/06/27/76/558062776.db2.gz JWHXPZZAWOVMNR-YTQPIUFNSA-N 1 2 363.502 2.187 20 30 FEEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000375920719 558099923 /nfs/dbraw/zinc/09/99/23/558099923.db2.gz OIPPRUQNNZSCIE-IFXJQAMLSA-N 1 2 372.494 2.089 20 30 FEEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000375920719 558099925 /nfs/dbraw/zinc/09/99/25/558099925.db2.gz OIPPRUQNNZSCIE-IFXJQAMLSA-N 1 2 372.494 2.089 20 30 FEEDLO Cn1cc[nH+]c1[C@H]1CCCN(S(=O)(=O)c2c(F)cc(C#N)cc2F)C1 ZINC000375932592 558101589 /nfs/dbraw/zinc/10/15/89/558101589.db2.gz MSPBLCYLVFDQIC-LBPRGKRZSA-N 1 2 366.393 2.138 20 30 FEEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000376195202 558139369 /nfs/dbraw/zinc/13/93/69/558139369.db2.gz JTVLBQKFYKSANG-DOTOQJQBSA-N 1 2 357.454 2.037 20 30 FEEDLO C#CCCCS(=O)(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000376328864 558158640 /nfs/dbraw/zinc/15/86/40/558158640.db2.gz WMLPGDMVAOBVJX-SJORKVTESA-N 1 2 370.902 2.045 20 30 FEEDLO C#CCCCS(=O)(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000376328864 558158642 /nfs/dbraw/zinc/15/86/42/558158642.db2.gz WMLPGDMVAOBVJX-SJORKVTESA-N 1 2 370.902 2.045 20 30 FEEDLO C=CCCCNC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000376415172 558169965 /nfs/dbraw/zinc/16/99/65/558169965.db2.gz RQNIUNHYPSFPLT-MRXNPFEDSA-N 1 2 366.506 2.289 20 30 FEEDLO C=C(CNC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1)c1ccccc1 ZINC000376668268 558205669 /nfs/dbraw/zinc/20/56/69/558205669.db2.gz XCEIFIZSVOTICP-IBGZPJMESA-N 1 2 361.511 2.207 20 30 FEEDLO N#Cc1ccc(CS(=O)(=O)N[C@@H]2CCCN(c3cccc[nH+]3)C2)cc1 ZINC000377296262 558308822 /nfs/dbraw/zinc/30/88/22/558308822.db2.gz LWKNXDOGBPDKAQ-QGZVFWFLSA-N 1 2 356.451 2.042 20 30 FEEDLO N#Cc1cccc(OCC[N@@H+]2C[C@H](C#N)[C@@]3(C2)C(=O)Nc2ccccc23)c1 ZINC000378285460 558519700 /nfs/dbraw/zinc/51/97/00/558519700.db2.gz IFACOMDKENGDOL-HRAATJIYSA-N 1 2 358.401 2.283 20 30 FEEDLO N#Cc1cccc(OCC[N@H+]2C[C@H](C#N)[C@@]3(C2)C(=O)Nc2ccccc23)c1 ZINC000378285460 558519702 /nfs/dbraw/zinc/51/97/02/558519702.db2.gz IFACOMDKENGDOL-HRAATJIYSA-N 1 2 358.401 2.283 20 30 FEEDLO N#Cc1cccc(OCC[N@@H+]2C[C@@H](C#N)[C@@]3(C2)C(=O)Nc2ccccc23)c1 ZINC000378285463 558519768 /nfs/dbraw/zinc/51/97/68/558519768.db2.gz IFACOMDKENGDOL-IIBYNOLFSA-N 1 2 358.401 2.283 20 30 FEEDLO N#Cc1cccc(OCC[N@H+]2C[C@@H](C#N)[C@@]3(C2)C(=O)Nc2ccccc23)c1 ZINC000378285463 558519771 /nfs/dbraw/zinc/51/97/71/558519771.db2.gz IFACOMDKENGDOL-IIBYNOLFSA-N 1 2 358.401 2.283 20 30 FEEDLO CC(C)N(C(=O)[C@@H](C)[N@@H+]1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O)C(C)C ZINC000378291135 558521620 /nfs/dbraw/zinc/52/16/20/558521620.db2.gz PHVFMQDNDMKXNC-WHSLLNHNSA-N 1 2 368.481 2.366 20 30 FEEDLO CC(C)N(C(=O)[C@@H](C)[N@H+]1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O)C(C)C ZINC000378291135 558521622 /nfs/dbraw/zinc/52/16/22/558521622.db2.gz PHVFMQDNDMKXNC-WHSLLNHNSA-N 1 2 368.481 2.366 20 30 FEEDLO CC(=O)Nc1cccc(C[N@@H+]2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)c1 ZINC000378292627 558522005 /nfs/dbraw/zinc/52/20/05/558522005.db2.gz RVQZPYSEYPVAPI-HRAATJIYSA-N 1 2 360.417 2.490 20 30 FEEDLO CC(=O)Nc1cccc(C[N@H+]2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)c1 ZINC000378292627 558522009 /nfs/dbraw/zinc/52/20/09/558522009.db2.gz RVQZPYSEYPVAPI-HRAATJIYSA-N 1 2 360.417 2.490 20 30 FEEDLO N#Cc1ccc2[nH+]cc(CN3CCn4c(Cc5ccccc5)nnc4C3)n2c1 ZINC000378343149 558534070 /nfs/dbraw/zinc/53/40/70/558534070.db2.gz ROSGNGRTUZNBKL-UHFFFAOYSA-N 1 2 369.432 2.404 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(S(=O)(=O)Cc3cccc(F)c3)CC2)cc1 ZINC000524446193 562228747 /nfs/dbraw/zinc/22/87/47/562228747.db2.gz SETYSYVAPHGWLC-UHFFFAOYSA-N 1 2 373.453 2.345 20 30 FEEDLO CC[C@H](C)[N@H+](CC(=O)NC1(C#N)CCC1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000525893610 562258905 /nfs/dbraw/zinc/25/89/05/562258905.db2.gz LUJOOSNUJSMFBS-AWEZNQCLSA-N 1 2 367.453 2.498 20 30 FEEDLO CC[C@H](C)[N@@H+](CC(=O)NC1(C#N)CCC1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000525893610 562258906 /nfs/dbraw/zinc/25/89/06/562258906.db2.gz LUJOOSNUJSMFBS-AWEZNQCLSA-N 1 2 367.453 2.498 20 30 FEEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCCN(Cc2ccc(F)cc2)CC1 ZINC000526059191 562265627 /nfs/dbraw/zinc/26/56/27/562265627.db2.gz OUCVACZKOONQQJ-INIZCTEOSA-N 1 2 358.461 2.284 20 30 FEEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCCN(Cc2ccc(F)cc2)CC1 ZINC000526059191 562265628 /nfs/dbraw/zinc/26/56/28/562265628.db2.gz OUCVACZKOONQQJ-INIZCTEOSA-N 1 2 358.461 2.284 20 30 FEEDLO C[C@@H](C(=O)NC1(C#N)CCC1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000527048808 562274542 /nfs/dbraw/zinc/27/45/42/562274542.db2.gz USTZKWKODOJWLV-YXOJNZSOSA-N 1 2 352.482 2.268 20 30 FEEDLO CC1(C)C[N@H+](CCNC(=O)N[C@H]2CCCc3cc(C#N)ccc32)CCO1 ZINC000416687154 559329736 /nfs/dbraw/zinc/32/97/36/559329736.db2.gz ODPLSWGIPQMELK-SFHVURJKSA-N 1 2 356.470 2.346 20 30 FEEDLO CC1(C)C[N@@H+](CCNC(=O)N[C@H]2CCCc3cc(C#N)ccc32)CCO1 ZINC000416687154 559329737 /nfs/dbraw/zinc/32/97/37/559329737.db2.gz ODPLSWGIPQMELK-SFHVURJKSA-N 1 2 356.470 2.346 20 30 FEEDLO CC(C)(CC#N)CNC(=O)C(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000421407405 559541444 /nfs/dbraw/zinc/54/14/44/559541444.db2.gz LSRWSWMBYKBFBR-UHFFFAOYSA-N 1 2 371.485 2.134 20 30 FEEDLO N#Cc1ccc(CNC(=O)N(CC[NH+]2CCOCC2)Cc2ccco2)s1 ZINC000422231762 559572580 /nfs/dbraw/zinc/57/25/80/559572580.db2.gz OLQLOWKELPNTTJ-UHFFFAOYSA-N 1 2 374.466 2.257 20 30 FEEDLO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000422527673 559592994 /nfs/dbraw/zinc/59/29/94/559592994.db2.gz MEBDOOPRUQPCQG-QZTJIDSGSA-N 1 2 366.465 2.040 20 30 FEEDLO C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CCN(c2ccc3ccccc3n2)CC1 ZINC000527297680 562284258 /nfs/dbraw/zinc/28/42/58/562284258.db2.gz NTBSCLAXGYSMHS-MRXNPFEDSA-N 1 2 363.465 2.308 20 30 FEEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[NH+]1CCN(c2ccc3ccccc3n2)CC1 ZINC000527297679 562284269 /nfs/dbraw/zinc/28/42/69/562284269.db2.gz NTBSCLAXGYSMHS-INIZCTEOSA-N 1 2 363.465 2.308 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000425385947 559699368 /nfs/dbraw/zinc/69/93/68/559699368.db2.gz OGRYMDCZIWHNNP-XHSDSOJGSA-N 1 2 365.499 2.012 20 30 FEEDLO C=CC[N@@H+](CC[C@@H](C(=O)OC)c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000425410923 559700808 /nfs/dbraw/zinc/70/08/08/559700808.db2.gz CEUBHMVALZMUMI-DLBZAZTESA-N 1 2 351.468 2.008 20 30 FEEDLO C=CC[N@H+](CC[C@@H](C(=O)OC)c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000425410923 559700809 /nfs/dbraw/zinc/70/08/09/559700809.db2.gz CEUBHMVALZMUMI-DLBZAZTESA-N 1 2 351.468 2.008 20 30 FEEDLO C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C[C@H](O)C[NH+]1CCOCC1 ZINC000425529850 559708187 /nfs/dbraw/zinc/70/81/87/559708187.db2.gz CTKCNXMLELOHLC-RHSMWYFYSA-N 1 2 371.403 2.113 20 30 FEEDLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000426426218 559734329 /nfs/dbraw/zinc/73/43/29/559734329.db2.gz VSFXWPFWTYGFCP-HNNXBMFYSA-N 1 2 360.401 2.071 20 30 FEEDLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000426426218 559734330 /nfs/dbraw/zinc/73/43/30/559734330.db2.gz VSFXWPFWTYGFCP-HNNXBMFYSA-N 1 2 360.401 2.071 20 30 FEEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(O)(C(F)F)CC1 ZINC000426474225 559735206 /nfs/dbraw/zinc/73/52/06/559735206.db2.gz ZZRFDLPRNNUAMC-AWEZNQCLSA-N 1 2 351.397 2.414 20 30 FEEDLO CC(C)(C)[C@H](C#N)NC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000427485513 559756413 /nfs/dbraw/zinc/75/64/13/559756413.db2.gz DIZGZLMMAHAPSI-CVEARBPZSA-N 1 2 359.474 2.072 20 30 FEEDLO CC(C)(C)[C@H](C#N)NC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000427485513 559756414 /nfs/dbraw/zinc/75/64/14/559756414.db2.gz DIZGZLMMAHAPSI-CVEARBPZSA-N 1 2 359.474 2.072 20 30 FEEDLO COc1cc(C#N)ccc1OCCCC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000428004918 559767303 /nfs/dbraw/zinc/76/73/03/559767303.db2.gz IQOBJHBEUHQORR-OAHLLOKOSA-N 1 2 354.410 2.054 20 30 FEEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cnc(-c3ccccc3OC)nc2)C1=O ZINC000430078712 559812622 /nfs/dbraw/zinc/81/26/22/559812622.db2.gz KHDLUXIKFCWIAX-QGZVFWFLSA-N 1 2 352.438 2.371 20 30 FEEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cnc(-c3ccccc3OC)nc2)C1=O ZINC000430078712 559812623 /nfs/dbraw/zinc/81/26/23/559812623.db2.gz KHDLUXIKFCWIAX-QGZVFWFLSA-N 1 2 352.438 2.371 20 30 FEEDLO C[C@H](CN1CCOCC1)[N@H+](C)Cc1cc(C#N)ccc1Br ZINC000434705262 559906853 /nfs/dbraw/zinc/90/68/53/559906853.db2.gz IACVECLKVYSYOB-CYBMUJFWSA-N 1 2 352.276 2.473 20 30 FEEDLO C[C@H](CN1CCOCC1)[N@@H+](C)Cc1cc(C#N)ccc1Br ZINC000434705262 559906854 /nfs/dbraw/zinc/90/68/54/559906854.db2.gz IACVECLKVYSYOB-CYBMUJFWSA-N 1 2 352.276 2.473 20 30 FEEDLO N#CC1(NC(=O)C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)CCC1 ZINC000527384701 562287354 /nfs/dbraw/zinc/28/73/54/562287354.db2.gz WKNVGOMOZWDPBR-UHFFFAOYSA-N 1 2 366.387 2.390 20 30 FEEDLO CCN(C1CC[NH+](Cc2ccc(C#N)cc2Cl)CC1)S(C)(=O)=O ZINC000439443521 559994086 /nfs/dbraw/zinc/99/40/86/559994086.db2.gz SXBDPTRSYMTDQU-UHFFFAOYSA-N 1 2 355.891 2.458 20 30 FEEDLO CCOC(=O)[C@@H]1C[N@H+](CC(=O)N(CC)C[C@@H](C)C#N)Cc2ccccc21 ZINC000441135264 560025064 /nfs/dbraw/zinc/02/50/64/560025064.db2.gz SBXMXARQEJFYRH-MAUKXSAKSA-N 1 2 357.454 2.157 20 30 FEEDLO CCOC(=O)[C@@H]1C[N@@H+](CC(=O)N(CC)C[C@@H](C)C#N)Cc2ccccc21 ZINC000441135264 560025065 /nfs/dbraw/zinc/02/50/65/560025065.db2.gz SBXMXARQEJFYRH-MAUKXSAKSA-N 1 2 357.454 2.157 20 30 FEEDLO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1ccc(-c2nc(=O)o[nH]2)cc1)C(C)C ZINC000441867321 560040135 /nfs/dbraw/zinc/04/01/35/560040135.db2.gz CVQUSYFTYODHIV-KRWDZBQOSA-N 1 2 370.453 2.458 20 30 FEEDLO C[NH+](C)[C@@H](CNS(=O)(=O)c1cccc(Cl)c1C#N)c1ccco1 ZINC000443100730 560070605 /nfs/dbraw/zinc/07/06/05/560070605.db2.gz GRBBACAILCDZRR-ZDUSSCGKSA-N 1 2 353.831 2.386 20 30 FEEDLO N#Cc1ccc(CC(=O)N2CC[NH+](Cc3cccc(Cl)c3)CC2)cn1 ZINC000527689639 562300294 /nfs/dbraw/zinc/30/02/94/562300294.db2.gz BJVNIVFPMHUOCO-UHFFFAOYSA-N 1 2 354.841 2.494 20 30 FEEDLO N#CCC1(CS(=O)(=O)N2CCC(CCCn3cc[nH+]c3)CC2)CC1 ZINC000451389068 560303933 /nfs/dbraw/zinc/30/39/33/560303933.db2.gz PGLYVZSRJITKBV-UHFFFAOYSA-N 1 2 350.488 2.399 20 30 FEEDLO CCn1cc[nH+]c1CNC(=O)COc1cccc(Br)c1C#N ZINC000452574333 560368143 /nfs/dbraw/zinc/36/81/43/560368143.db2.gz ZVSODWYHSRSDRK-UHFFFAOYSA-N 1 2 363.215 2.232 20 30 FEEDLO COc1c(C)c[nH+]c(CN(C)C(=O)C(=O)Nc2cccc(CC#N)c2)c1C ZINC000453684884 560396515 /nfs/dbraw/zinc/39/65/15/560396515.db2.gz FOLOEPAIGHNLMP-UHFFFAOYSA-N 1 2 366.421 2.370 20 30 FEEDLO N#Cc1ccc(CNC(=O)N2CC[NH+](Cc3cccnc3)CC2)cc1F ZINC000455532184 560485898 /nfs/dbraw/zinc/48/58/98/560485898.db2.gz DYLVUUIGQNDGDL-UHFFFAOYSA-N 1 2 353.401 2.120 20 30 FEEDLO N#Cc1ccc(CCC(=O)N(CC[NH+]2CCOCC2)Cc2ccco2)cc1 ZINC000457035279 560544998 /nfs/dbraw/zinc/54/49/98/560544998.db2.gz YYSDKKYQEYVERG-UHFFFAOYSA-N 1 2 367.449 2.445 20 30 FEEDLO C[NH+](C)Cc1csc(NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)n1 ZINC000457314788 560561887 /nfs/dbraw/zinc/56/18/87/560561887.db2.gz NHTQELAYODKZQL-MRXNPFEDSA-N 1 2 352.460 2.405 20 30 FEEDLO C=CCC[C@H](CO)NC(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000457938309 560595241 /nfs/dbraw/zinc/59/52/41/560595241.db2.gz GQINATPHRTZFNZ-GFCCVEGCSA-N 1 2 367.247 2.223 20 30 FEEDLO CC(C)(CC#N)CNC(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000458100079 560603119 /nfs/dbraw/zinc/60/31/19/560603119.db2.gz UXWIJMUXXFKZSI-UHFFFAOYSA-N 1 2 374.485 2.137 20 30 FEEDLO C[C@@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1cc[nH]c(=O)c1 ZINC000458838654 560651485 /nfs/dbraw/zinc/65/14/85/560651485.db2.gz YIXZVKYDKFDPEW-OAHLLOKOSA-N 1 2 365.437 2.247 20 30 FEEDLO C=C(C)CN(CC)C(=O)C[NH+]1CCN(c2ccc(C(=O)OC)s2)CC1 ZINC000459517256 560691621 /nfs/dbraw/zinc/69/16/21/560691621.db2.gz SEKLZBHYPMQAFZ-UHFFFAOYSA-N 1 2 365.499 2.081 20 30 FEEDLO C=C(C)CN(CC)C(=O)C(=O)N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000459823691 560710998 /nfs/dbraw/zinc/71/09/98/560710998.db2.gz RAAKNGDAFFEGOT-QGZVFWFLSA-N 1 2 373.497 2.325 20 30 FEEDLO C=C[C@H](CO)NC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000460276064 560740208 /nfs/dbraw/zinc/74/02/08/560740208.db2.gz KAADGPPSQIBRFB-HUUCEWRRSA-N 1 2 355.841 2.290 20 30 FEEDLO C=C[C@H](CO)NC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000460276064 560740209 /nfs/dbraw/zinc/74/02/09/560740209.db2.gz KAADGPPSQIBRFB-HUUCEWRRSA-N 1 2 355.841 2.290 20 30 FEEDLO COc1ccc(C[NH+]2CCN(C(=O)N[C@@H]3CCC[C@H]3C#N)CC2)cc1F ZINC000461963181 560789955 /nfs/dbraw/zinc/78/99/55/560789955.db2.gz YVDIPFXBIQFKLG-DOTOQJQBSA-N 1 2 360.433 2.354 20 30 FEEDLO CCOc1ccc(C[NH+]2CCN([C@H](C)C(=O)NC3(C#N)CCC3)CC2)cc1 ZINC000468865266 560940895 /nfs/dbraw/zinc/94/08/95/560940895.db2.gz HCCQBQPQTQZNKT-QGZVFWFLSA-N 1 2 370.497 2.154 20 30 FEEDLO CCOCC[NH+]1CCN(C(=O)c2cc(-c3cccc(C#N)c3)no2)CC1 ZINC000469288402 560951826 /nfs/dbraw/zinc/95/18/26/560951826.db2.gz XKVKLLNYVWGINU-UHFFFAOYSA-N 1 2 354.410 2.008 20 30 FEEDLO C=CCOc1cccc(NC(=O)C(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000469543318 560957537 /nfs/dbraw/zinc/95/75/37/560957537.db2.gz WWRHVZWTSILVLT-SFHVURJKSA-N 1 2 367.405 2.265 20 30 FEEDLO N#CCCCN1C(=O)CCc2cc(NC(=O)NCCn3cc[nH+]c3)ccc21 ZINC000470554364 560984444 /nfs/dbraw/zinc/98/44/44/560984444.db2.gz YXKXIFAFAIDLJR-UHFFFAOYSA-N 1 2 366.425 2.288 20 30 FEEDLO Cc1nn(C)c(N2CC[NH+](Cc3c(C)nn(C(C)(C)C)c3C)CC2)c1C#N ZINC000471802698 561012174 /nfs/dbraw/zinc/01/21/74/561012174.db2.gz CFZGVEVCMJWQEI-UHFFFAOYSA-N 1 2 369.517 2.491 20 30 FEEDLO Cc1nn(C)c(N2CC[NH+](Cc3cccc([N+](=O)[O-])c3C)CC2)c1C#N ZINC000472153648 561019679 /nfs/dbraw/zinc/01/96/79/561019679.db2.gz IXXUQMCKIQKAKD-UHFFFAOYSA-N 1 2 354.414 2.139 20 30 FEEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCO[C@@](C)(c2cnn(C)c2)C1 ZINC000473039683 561040904 /nfs/dbraw/zinc/04/09/04/561040904.db2.gz WQQFMVSPNNJXDL-TZIWHRDSSA-N 1 2 371.481 2.136 20 30 FEEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCO[C@@](C)(c2cnn(C)c2)C1 ZINC000473039683 561040905 /nfs/dbraw/zinc/04/09/05/561040905.db2.gz WQQFMVSPNNJXDL-TZIWHRDSSA-N 1 2 371.481 2.136 20 30 FEEDLO CCN1CCN(C(=O)N[C@@H](C)c2ccc(C#N)cc2)C[C@H]1c1[nH]cc[nH+]1 ZINC000474236856 561069085 /nfs/dbraw/zinc/06/90/85/561069085.db2.gz YHBCLMQYPYRVMO-YOEHRIQHSA-N 1 2 352.442 2.431 20 30 FEEDLO Cn1ncc(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1C#N ZINC000476458269 561119975 /nfs/dbraw/zinc/11/99/75/561119975.db2.gz LSFXKKJOHFXVPU-ZBFHGGJFSA-N 1 2 361.808 2.259 20 30 FEEDLO Cn1ncc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1C#N ZINC000476458269 561119976 /nfs/dbraw/zinc/11/99/76/561119976.db2.gz LSFXKKJOHFXVPU-ZBFHGGJFSA-N 1 2 361.808 2.259 20 30 FEEDLO CCC(C#N)(CC)c1nc(-c2ccc(C(=O)N3CC[NH+](C)CC3)nc2)no1 ZINC000528142835 562315649 /nfs/dbraw/zinc/31/56/49/562315649.db2.gz UAQZOIYRBMNZFF-UHFFFAOYSA-N 1 2 368.441 2.101 20 30 FEEDLO COc1ccc(C[N@@H+]2CC[C@H]2CNS(=O)(=O)c2ccccc2C#N)cc1 ZINC000528505039 562333056 /nfs/dbraw/zinc/33/30/56/562333056.db2.gz XPFRFJIFCAULMG-KRWDZBQOSA-N 1 2 371.462 2.120 20 30 FEEDLO COc1ccc(C[N@H+]2CC[C@H]2CNS(=O)(=O)c2ccccc2C#N)cc1 ZINC000528505039 562333057 /nfs/dbraw/zinc/33/30/57/562333057.db2.gz XPFRFJIFCAULMG-KRWDZBQOSA-N 1 2 371.462 2.120 20 30 FEEDLO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCc3nc(C4CC4)ncc3C2)cc1 ZINC000528736376 562344990 /nfs/dbraw/zinc/34/49/90/562344990.db2.gz CEGCPDKYAKGBGE-KRWDZBQOSA-N 1 2 350.422 2.024 20 30 FEEDLO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCc3nc(C4CC4)ncc3C2)cc1 ZINC000528736376 562344991 /nfs/dbraw/zinc/34/49/91/562344991.db2.gz CEGCPDKYAKGBGE-KRWDZBQOSA-N 1 2 350.422 2.024 20 30 FEEDLO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCc3nc(C4CC4)ncc3C2)cc1 ZINC000528736740 562345060 /nfs/dbraw/zinc/34/50/60/562345060.db2.gz GIMBSVOQHBXBAQ-SFHVURJKSA-N 1 2 364.449 2.218 20 30 FEEDLO N#CCc1ccc(OC[C@@H](O)C[N@H+]2CCc3nc(C4CC4)ncc3C2)cc1 ZINC000528736740 562345061 /nfs/dbraw/zinc/34/50/61/562345061.db2.gz GIMBSVOQHBXBAQ-SFHVURJKSA-N 1 2 364.449 2.218 20 30 FEEDLO N#Cc1ccc(C2(NC(=O)[C@H]3CCn4cc[nH+]c4C3)CCOCC2)cc1 ZINC000530059838 562396322 /nfs/dbraw/zinc/39/63/22/562396322.db2.gz PMZXYBAEIDOURU-INIZCTEOSA-N 1 2 350.422 2.139 20 30 FEEDLO Cn1c[nH+]cc1CCC(=O)N1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000530310532 562406472 /nfs/dbraw/zinc/40/64/72/562406472.db2.gz RCSRPVVEQFGDOV-SFHVURJKSA-N 1 2 371.872 2.415 20 30 FEEDLO N#Cc1ccc(NC(=O)C(=O)NCc2cn3ccccc3[nH+]2)c(Cl)c1 ZINC000532275454 562472397 /nfs/dbraw/zinc/47/23/97/562472397.db2.gz RCPGKAQGECSUOL-UHFFFAOYSA-N 1 2 353.769 2.114 20 30 FEEDLO C=CCNC(=O)CN1CC[NH+](Cc2cccc(OC3CCCC3)c2)CC1 ZINC000535069079 562550302 /nfs/dbraw/zinc/55/03/02/562550302.db2.gz NGCXUEBERPZWQB-UHFFFAOYSA-N 1 2 357.498 2.428 20 30 FEEDLO CCc1oc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@H]2C)cc1C(=O)OC ZINC000549809217 562640009 /nfs/dbraw/zinc/64/00/09/562640009.db2.gz AVRXQQZQNWIRIB-CYBMUJFWSA-N 1 2 369.425 2.001 20 30 FEEDLO CCc1oc(C[N@H+]2CCN(c3nccnc3C#N)C[C@H]2C)cc1C(=O)OC ZINC000549809217 562640010 /nfs/dbraw/zinc/64/00/10/562640010.db2.gz AVRXQQZQNWIRIB-CYBMUJFWSA-N 1 2 369.425 2.001 20 30 FEEDLO Cc1c[nH]c(C(C)(C)NC(=O)C2CCN(c3oc(C)nc3C#N)CC2)[nH+]1 ZINC000568068547 567835192 /nfs/dbraw/zinc/83/51/92/567835192.db2.gz LNRXYUSSGQZUGL-UHFFFAOYSA-N 1 2 356.430 2.154 20 30 FEEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+](C)[C@@H]1CCCCN(C)C1=O ZINC000601968379 567889776 /nfs/dbraw/zinc/88/97/76/567889776.db2.gz FHZAKOAFFWFYEZ-MAUKXSAKSA-N 1 2 374.460 2.404 20 30 FEEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+](C)[C@@H]1CCCCN(C)C1=O ZINC000601968379 567889778 /nfs/dbraw/zinc/88/97/78/567889778.db2.gz FHZAKOAFFWFYEZ-MAUKXSAKSA-N 1 2 374.460 2.404 20 30 FEEDLO COc1ccc([C@H](NC(=O)C[N@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)C2CC2)cc1 ZINC000602859411 568003257 /nfs/dbraw/zinc/00/32/57/568003257.db2.gz YDNDBBODBHLWIT-VWKPWSFCSA-N 1 2 370.497 2.181 20 30 FEEDLO COc1ccc([C@H](NC(=O)C[N@@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)C2CC2)cc1 ZINC000602859411 568003258 /nfs/dbraw/zinc/00/32/58/568003258.db2.gz YDNDBBODBHLWIT-VWKPWSFCSA-N 1 2 370.497 2.181 20 30 FEEDLO CC(C)c1ccc(OCCNC(=O)C[N@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)cc1 ZINC000602865536 568008121 /nfs/dbraw/zinc/00/81/21/568008121.db2.gz TZGYIQKRFLMLOM-HDICACEKSA-N 1 2 372.513 2.223 20 30 FEEDLO CC(C)c1ccc(OCCNC(=O)C[N@@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)cc1 ZINC000602865536 568008122 /nfs/dbraw/zinc/00/81/22/568008122.db2.gz TZGYIQKRFLMLOM-HDICACEKSA-N 1 2 372.513 2.223 20 30 FEEDLO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000602802699 568037052 /nfs/dbraw/zinc/03/70/52/568037052.db2.gz SVNFLWODVZEZKQ-KRWDZBQOSA-N 1 2 372.404 2.121 20 30 FEEDLO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602863107 568050050 /nfs/dbraw/zinc/05/00/50/568050050.db2.gz OQXPTNJWUOMCCC-QLFBSQMISA-N 1 2 364.440 2.402 20 30 FEEDLO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602863107 568050051 /nfs/dbraw/zinc/05/00/51/568050051.db2.gz OQXPTNJWUOMCCC-QLFBSQMISA-N 1 2 364.440 2.402 20 30 FEEDLO CN(C)c1[nH+]ccc2cc(NC(=O)N3CCN(CCC#N)CC3)ccc21 ZINC000603022209 568052592 /nfs/dbraw/zinc/05/25/92/568052592.db2.gz OKWWCWYVEKJNGT-UHFFFAOYSA-N 1 2 352.442 2.364 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)n1cc(C[NH2+]Cc2ccc(F)cc2)nn1 ZINC000603175630 568067995 /nfs/dbraw/zinc/06/79/95/568067995.db2.gz LWZLAZOZIXOJRG-KUHUBIRLSA-N 1 2 372.448 2.322 20 30 FEEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)CC1 ZINC000609484669 568344902 /nfs/dbraw/zinc/34/49/02/568344902.db2.gz FGKMYDQDNLXMSS-QUCCMNQESA-N 1 2 367.497 2.488 20 30 FEEDLO CCN(Cc1cccc(F)c1)C(=O)C[NH+]1CCN([C@H](C#N)C(C)C)CC1 ZINC000609486079 568346189 /nfs/dbraw/zinc/34/61/89/568346189.db2.gz CMAJQSYRGXRFFD-LJQANCHMSA-N 1 2 360.477 2.340 20 30 FEEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN(c2cccc(Br)c2)CC1 ZINC000556505141 674405028 /nfs/dbraw/zinc/40/50/28/674405028.db2.gz CIKJZYFQSSSADT-ZDUSSCGKSA-N 1 2 352.276 2.262 20 30 FEEDLO NS(=O)(=O)c1ccc(C=NNc2cc[nH+]c3ccccc23)cc1Cl ZINC000807969446 674436367 /nfs/dbraw/zinc/43/63/67/674436367.db2.gz DOEPLMNMPSYZFY-UHFFFAOYSA-N 1 2 360.826 2.404 20 30 FEEDLO N#Cc1nc(F)ccc1OS(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000808345195 674455030 /nfs/dbraw/zinc/45/50/30/674455030.db2.gz QYMVWBGMMWTGQF-UHFFFAOYSA-N 1 2 358.354 2.105 20 30 FEEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)CCN1Cc1ccc(-c2nn[nH]n2)cc1 ZINC000822000355 606178471 /nfs/dbraw/zinc/17/84/71/606178471.db2.gz JWRLQBSCXNNSID-MRXNPFEDSA-N 1 2 373.464 2.445 20 30 FEEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)CCN1Cc1ccc(-c2nn[nH]n2)cc1 ZINC000822000355 606178472 /nfs/dbraw/zinc/17/84/72/606178472.db2.gz JWRLQBSCXNNSID-MRXNPFEDSA-N 1 2 373.464 2.445 20 30 FEEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)c(Br)c2)C[C@H](C)[N@H+]1C ZINC000559147927 674530130 /nfs/dbraw/zinc/53/01/30/674530130.db2.gz LRMHDRSCWRPPAS-PHIMTYICSA-N 1 2 372.288 2.034 20 30 FEEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)c(Br)c2)C[C@H](C)[N@@H+]1C ZINC000559147927 674530132 /nfs/dbraw/zinc/53/01/32/674530132.db2.gz LRMHDRSCWRPPAS-PHIMTYICSA-N 1 2 372.288 2.034 20 30 FEEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N ZINC000559538783 674546744 /nfs/dbraw/zinc/54/67/44/674546744.db2.gz NORNOIXKYJSEMH-NSHDSACASA-N 1 2 359.455 2.257 20 30 FEEDLO Cc1cccn2c(CN=Nc3cc(-c4nn[nH]n4)cc(Cl)n3)c[nH+]c12 ZINC000826307897 608537478 /nfs/dbraw/zinc/53/74/78/608537478.db2.gz ALBYBWOWGIHPMA-UHFFFAOYSA-N 1 2 353.777 2.317 20 30 FEEDLO CC1(C#N)CC[NH+](CC(=O)Nc2cc(Cl)ccc2-c2nn[nH]n2)CC1 ZINC000824778440 609142269 /nfs/dbraw/zinc/14/22/69/609142269.db2.gz OWJAGFAGONYHGG-UHFFFAOYSA-N 1 2 359.821 2.084 20 30 FEEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000563022173 674835846 /nfs/dbraw/zinc/83/58/46/674835846.db2.gz PGDMTQDXUBHQBW-GHMZBOCLSA-N 1 2 356.455 2.043 20 30 FEEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000563022173 674835851 /nfs/dbraw/zinc/83/58/51/674835851.db2.gz PGDMTQDXUBHQBW-GHMZBOCLSA-N 1 2 356.455 2.043 20 30 FEEDLO C[C@@H](C#N)Oc1ccc(C[N@H+](C)Cc2ccccc2S(N)(=O)=O)cc1 ZINC000816627664 675069303 /nfs/dbraw/zinc/06/93/03/675069303.db2.gz TZVLYWUIEZQCGC-AWEZNQCLSA-N 1 2 359.451 2.257 20 30 FEEDLO C[C@@H](C#N)Oc1ccc(C[N@@H+](C)Cc2ccccc2S(N)(=O)=O)cc1 ZINC000816627664 675069304 /nfs/dbraw/zinc/06/93/04/675069304.db2.gz TZVLYWUIEZQCGC-AWEZNQCLSA-N 1 2 359.451 2.257 20 30 FEEDLO C#CC[C@@H](CO)NC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000816674260 675072192 /nfs/dbraw/zinc/07/21/92/675072192.db2.gz VROYXNJXRGPJQB-HOTGVXAUSA-N 1 2 365.271 2.086 20 30 FEEDLO COc1ccc(CC(N)=[NH+]OCC(=O)N2CCc3sccc3C2)cc1 ZINC000060454975 670386141 /nfs/dbraw/zinc/38/61/41/670386141.db2.gz NMTWYZGGAUNFQQ-UHFFFAOYSA-N 1 2 359.451 2.173 20 30 FEEDLO C[N@@H+]1CC[C@H](NS(=O)(=O)CC2(CC#N)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000577341052 671588994 /nfs/dbraw/zinc/58/89/94/671588994.db2.gz NGEGMQLZWKGHCE-JKSUJKDBSA-N 1 2 369.437 2.323 20 30 FEEDLO C[N@H+]1CC[C@H](NS(=O)(=O)CC2(CC#N)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000577341052 671588996 /nfs/dbraw/zinc/58/89/96/671588996.db2.gz NGEGMQLZWKGHCE-JKSUJKDBSA-N 1 2 369.437 2.323 20 30 FEEDLO C[NH+]1CCC(C#N)(NC(=O)c2cc(Br)c(F)cc2O)CC1 ZINC000578308260 671655769 /nfs/dbraw/zinc/65/57/69/671655769.db2.gz OBDAGVGSKAJABN-UHFFFAOYSA-N 1 2 356.195 2.012 20 30 FEEDLO C=CC[N@@H+](C)CC(=O)c1cc(C)n(-c2ccc(S(N)(=O)=O)cc2)c1C ZINC000121577279 671953235 /nfs/dbraw/zinc/95/32/35/671953235.db2.gz ISUJILOOWNHDNA-UHFFFAOYSA-N 1 2 361.467 2.042 20 30 FEEDLO C=CC[N@H+](C)CC(=O)c1cc(C)n(-c2ccc(S(N)(=O)=O)cc2)c1C ZINC000121577279 671953236 /nfs/dbraw/zinc/95/32/36/671953236.db2.gz ISUJILOOWNHDNA-UHFFFAOYSA-N 1 2 361.467 2.042 20 30 FEEDLO CC[C@@H]1C[N@H+](CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)CCS1 ZINC000173511304 672352759 /nfs/dbraw/zinc/35/27/59/672352759.db2.gz CBGMKZYWOGENBG-MRXNPFEDSA-N 1 2 358.467 2.107 20 30 FEEDLO CC[C@@H]1C[N@@H+](CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)CCS1 ZINC000173511304 672352763 /nfs/dbraw/zinc/35/27/63/672352763.db2.gz CBGMKZYWOGENBG-MRXNPFEDSA-N 1 2 358.467 2.107 20 30 FEEDLO C=CCC[C@H](Nc1ccc(N2CCN(S(C)(=O)=O)CC2)[nH+]c1)C1CC1 ZINC000679148458 672469497 /nfs/dbraw/zinc/46/94/97/672469497.db2.gz IPDLZQGZCDZCAU-KRWDZBQOSA-N 1 2 364.515 2.320 20 30 FEEDLO C[N@H+]1Cc2ccccc2[C@H](NS(=O)(=O)Cc2ccc(F)cc2C#N)C1 ZINC000590750967 672610527 /nfs/dbraw/zinc/61/05/27/672610527.db2.gz QZGFUFALGZJGRO-GOSISDBHSA-N 1 2 359.426 2.303 20 30 FEEDLO C[N@@H+]1Cc2ccccc2[C@H](NS(=O)(=O)Cc2ccc(F)cc2C#N)C1 ZINC000590750967 672610530 /nfs/dbraw/zinc/61/05/30/672610530.db2.gz QZGFUFALGZJGRO-GOSISDBHSA-N 1 2 359.426 2.303 20 30 FEEDLO CCCn1cc[nH+]c1CCCN(C)S(=O)(=O)c1ccsc1C#N ZINC000593585107 672951230 /nfs/dbraw/zinc/95/12/30/672951230.db2.gz LBGWZJULHHYXCE-UHFFFAOYSA-N 1 2 352.485 2.480 20 30 FEEDLO CC1(C)COCC[N@@H+]1CCNC(=O)N1CCOc2cccc(F)c2C1 ZINC000328759742 673066432 /nfs/dbraw/zinc/06/64/32/673066432.db2.gz WQUQXYFYXLNENA-UHFFFAOYSA-N 1 2 351.422 2.045 20 30 FEEDLO CC1(C)COCC[N@H+]1CCNC(=O)N1CCOc2cccc(F)c2C1 ZINC000328759742 673066436 /nfs/dbraw/zinc/06/64/36/673066436.db2.gz WQUQXYFYXLNENA-UHFFFAOYSA-N 1 2 351.422 2.045 20 30 FEEDLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N[C@H]1CCCS(=O)(=O)C1 ZINC000329273703 673074726 /nfs/dbraw/zinc/07/47/26/673074726.db2.gz ATXZOMRNFUQYBH-LBPRGKRZSA-N 1 2 372.516 2.032 20 30 FEEDLO Cc1sc(NC(=O)C[N@@H+]2CC[C@H](CN3CCCC3=O)C2)c(C#N)c1C ZINC000595828939 673328745 /nfs/dbraw/zinc/32/87/45/673328745.db2.gz NOCCKRUYLXHJHU-AWEZNQCLSA-N 1 2 360.483 2.119 20 30 FEEDLO Cc1sc(NC(=O)C[N@H+]2CC[C@H](CN3CCCC3=O)C2)c(C#N)c1C ZINC000595828939 673328747 /nfs/dbraw/zinc/32/87/47/673328747.db2.gz NOCCKRUYLXHJHU-AWEZNQCLSA-N 1 2 360.483 2.119 20 30 FEEDLO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nc(C#N)c(Cl)s2)CC1 ZINC000596073411 673356047 /nfs/dbraw/zinc/35/60/47/673356047.db2.gz OBSJRQKNNSWQFJ-UHFFFAOYSA-N 1 2 355.895 2.049 20 30 FEEDLO CCN(CC)C(=O)C[N@H+]1CCCN(c2nc(C#N)c(Cl)s2)CC1 ZINC000596073411 673356050 /nfs/dbraw/zinc/35/60/50/673356050.db2.gz OBSJRQKNNSWQFJ-UHFFFAOYSA-N 1 2 355.895 2.049 20 30 FEEDLO N#Cc1sccc1N1CCN(c2cc(N3CCSCC3)[nH+]cn2)CC1 ZINC000596352408 673379033 /nfs/dbraw/zinc/37/90/33/673379033.db2.gz IZENLZBQJCQRCQ-UHFFFAOYSA-N 1 2 372.523 2.290 20 30 FEEDLO N#Cc1sccc1N1CCN(c2cc(N3CCSCC3)nc[nH+]2)CC1 ZINC000596352408 673379037 /nfs/dbraw/zinc/37/90/37/673379037.db2.gz IZENLZBQJCQRCQ-UHFFFAOYSA-N 1 2 372.523 2.290 20 30 FEEDLO N#Cc1sccc1N1CC[NH+](Cc2ccc3c(c2)NC(=O)CO3)CC1 ZINC000597183974 673454972 /nfs/dbraw/zinc/45/49/72/673454972.db2.gz PCESVYVFFHNBMY-UHFFFAOYSA-N 1 2 354.435 2.273 20 30 FEEDLO CCOC(=O)c1sc([C@@H](C)[NH2+]CC(=O)N(CC)C[C@H](C)C#N)nc1C ZINC000542610153 673592915 /nfs/dbraw/zinc/59/29/15/673592915.db2.gz CENWRRHWYNJEOY-DGCLKSJQSA-N 1 2 366.487 2.287 20 30 FEEDLO C[C@H](NS(=O)(=O)CC1(C#N)CCCC1)C1([NH+]2CCOCC2)CCCC1 ZINC000545356637 673762333 /nfs/dbraw/zinc/76/23/33/673762333.db2.gz IQSVOFFQCQTSKM-INIZCTEOSA-N 1 2 369.531 2.023 20 30 FEEDLO C#CC[N@@H+](CC)[C@H](C)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 ZINC000746456907 673879107 /nfs/dbraw/zinc/87/91/07/673879107.db2.gz RNKHABFHASPDLX-LLVKDONJSA-N 1 2 353.344 2.334 20 30 FEEDLO C#CC[N@H+](CC)[C@H](C)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 ZINC000746456907 673879111 /nfs/dbraw/zinc/87/91/11/673879111.db2.gz RNKHABFHASPDLX-LLVKDONJSA-N 1 2 353.344 2.334 20 30 FEEDLO N#Cc1cc(F)cc(NC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)c1 ZINC000603083273 673917334 /nfs/dbraw/zinc/91/73/34/673917334.db2.gz YDHFVWLMWAKZMH-KRWDZBQOSA-N 1 2 364.446 2.027 20 30 FEEDLO C#CCC[NH+]1CCN(C(=O)c2c(OC)cccc2OC(F)(F)F)CC1 ZINC000825077893 675635909 /nfs/dbraw/zinc/63/59/09/675635909.db2.gz LMJQGGUFEVDTRQ-UHFFFAOYSA-N 1 2 356.344 2.375 20 30 FEEDLO Cn1cc[nH+]c1[C@H]1CCCN(S(=O)(=O)Cc2ccc(CC#N)cc2)C1 ZINC000827529131 675762749 /nfs/dbraw/zinc/76/27/49/675762749.db2.gz IDCQLSXOXBUFQV-KRWDZBQOSA-N 1 2 358.467 2.196 20 30 FEEDLO CC#CC[C@H](CO)NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000645391144 677258722 /nfs/dbraw/zinc/25/87/22/677258722.db2.gz HOWPUFLWGNVFBS-KBRIMQKVSA-N 1 2 367.852 2.298 20 30 FEEDLO CC#CC[C@H](CO)NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000645391144 677258723 /nfs/dbraw/zinc/25/87/23/677258723.db2.gz HOWPUFLWGNVFBS-KBRIMQKVSA-N 1 2 367.852 2.298 20 30 FEEDLO CC#CC[C@@H](CO)NC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000646183539 677280597 /nfs/dbraw/zinc/28/05/97/677280597.db2.gz ILYCAQCORWVMFN-KGLIPLIRSA-N 1 2 350.488 2.271 20 30 FEEDLO CC#CC[C@@H](CO)NC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000646183539 677280598 /nfs/dbraw/zinc/28/05/98/677280598.db2.gz ILYCAQCORWVMFN-KGLIPLIRSA-N 1 2 350.488 2.271 20 30 FEEDLO C=CCCn1cc(C[NH2+][C@H](CO)c2cccc(Br)c2)nn1 ZINC000653611965 677540252 /nfs/dbraw/zinc/54/02/52/677540252.db2.gz VUWYLINTBDOBRJ-OAHLLOKOSA-N 1 2 351.248 2.440 20 30 FEEDLO C#C[C@@H](NC(=O)NCCc1cn(C)c[nH+]1)c1ccc(Br)cc1 ZINC000838744545 680716738 /nfs/dbraw/zinc/71/67/38/680716738.db2.gz LUOIWXQYHXSPQG-OAHLLOKOSA-N 1 2 361.243 2.399 20 30 FEEDLO C=CC[C@H]1CCCN(C(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)C1 ZINC000668644022 679190987 /nfs/dbraw/zinc/19/09/87/679190987.db2.gz PVPDPAOVCXQBPG-HNNXBMFYSA-N 1 2 361.511 2.037 20 30 FEEDLO C=CC[C@H]1CCCN(C(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)C1 ZINC000668644022 679190990 /nfs/dbraw/zinc/19/09/90/679190990.db2.gz PVPDPAOVCXQBPG-HNNXBMFYSA-N 1 2 361.511 2.037 20 30 FEEDLO C=CCn1c([C@@H]2C[N@H+](C)C[C@H](C)O2)nnc1N(C[C@@H](C)OC)C(C)C ZINC000669013255 679215299 /nfs/dbraw/zinc/21/52/99/679215299.db2.gz YCYZONLSSNQODY-PMPSAXMXSA-N 1 2 351.495 2.105 20 30 FEEDLO C=CCn1c([C@@H]2C[N@@H+](C)C[C@H](C)O2)nnc1N(C[C@@H](C)OC)C(C)C ZINC000669013255 679215300 /nfs/dbraw/zinc/21/53/00/679215300.db2.gz YCYZONLSSNQODY-PMPSAXMXSA-N 1 2 351.495 2.105 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(OC)ns2)C1 ZINC001008845541 679968765 /nfs/dbraw/zinc/96/87/65/679968765.db2.gz KNOCSBSXAXHSSQ-KMFMINBZSA-N 1 2 365.499 2.214 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2cc(OC)ns2)C1 ZINC001008845541 679968771 /nfs/dbraw/zinc/96/87/71/679968771.db2.gz KNOCSBSXAXHSSQ-KMFMINBZSA-N 1 2 365.499 2.214 20 30 FEEDLO C=C(Br)C[N@H+]1CCCC2(CN(C(=O)[C@H]3CC[C@@H](C)O3)C2)C1 ZINC000982027512 680264366 /nfs/dbraw/zinc/26/43/66/680264366.db2.gz TXADEFLZAMPSEE-ZIAGYGMSSA-N 1 2 357.292 2.387 20 30 FEEDLO C=C(Br)C[N@@H+]1CCCC2(CN(C(=O)[C@H]3CC[C@@H](C)O3)C2)C1 ZINC000982027512 680264367 /nfs/dbraw/zinc/26/43/67/680264367.db2.gz TXADEFLZAMPSEE-ZIAGYGMSSA-N 1 2 357.292 2.387 20 30 FEEDLO O=C(NC[C@H]1CCC[N@H+]1CC#Cc1ccccc1Cl)[C@]12C[C@H]1COC2 ZINC001027896435 680363570 /nfs/dbraw/zinc/36/35/70/680363570.db2.gz PTMKXNXFKZRXMN-QKLQHJQFSA-N 1 2 358.869 2.309 20 30 FEEDLO O=C(NC[C@H]1CCC[N@@H+]1CC#Cc1ccccc1Cl)[C@]12C[C@H]1COC2 ZINC001027896435 680363573 /nfs/dbraw/zinc/36/35/73/680363573.db2.gz PTMKXNXFKZRXMN-QKLQHJQFSA-N 1 2 358.869 2.309 20 30 FEEDLO C=C(Br)C[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001034409035 680435616 /nfs/dbraw/zinc/43/56/16/680435616.db2.gz AFYGGIKSQMLSEY-YJNKXOJESA-N 1 2 357.292 2.433 20 30 FEEDLO C=C(Br)C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001034409035 680435620 /nfs/dbraw/zinc/43/56/20/680435620.db2.gz AFYGGIKSQMLSEY-YJNKXOJESA-N 1 2 357.292 2.433 20 30 FEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2F)C1 ZINC001035448327 680447164 /nfs/dbraw/zinc/44/71/64/680447164.db2.gz ADNAYTCTRZMTMK-BHYGNILZSA-N 1 2 350.409 2.461 20 30 FEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2F)C1 ZINC001035448327 680447167 /nfs/dbraw/zinc/44/71/67/680447167.db2.gz ADNAYTCTRZMTMK-BHYGNILZSA-N 1 2 350.409 2.461 20 30 FEEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2C1 ZINC000986156757 680497212 /nfs/dbraw/zinc/49/72/12/680497212.db2.gz AJFVUSBZPSUTRW-KGLIPLIRSA-N 1 2 364.877 2.038 20 30 FEEDLO C=C(Cl)C(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001004817788 680565838 /nfs/dbraw/zinc/56/58/38/680565838.db2.gz SYOUWGVLRPAQOV-YUELXQCFSA-N 1 2 364.877 2.287 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CC[NH+](CC(=C)Br)CC1 ZINC001006021098 680590345 /nfs/dbraw/zinc/59/03/45/680590345.db2.gz YDOSTONRTVMPPN-CABCVRRESA-N 1 2 357.292 2.409 20 30 FEEDLO C=C(Br)C[NH+]1CCC(C)(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1 ZINC001045568092 680635238 /nfs/dbraw/zinc/63/52/38/680635238.db2.gz XIIDMJVQGCEXQH-MCIONIFRSA-N 1 2 357.292 2.433 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2cc(OC)ns2)C1 ZINC001007360052 680636876 /nfs/dbraw/zinc/63/68/76/680636876.db2.gz JKCJICMXZODPQQ-IMJJTQAJSA-N 1 2 365.499 2.214 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2cc(OC)ns2)C1 ZINC001007360052 680636878 /nfs/dbraw/zinc/63/68/78/680636878.db2.gz JKCJICMXZODPQQ-IMJJTQAJSA-N 1 2 365.499 2.214 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CC[NH+]([C@@H](C)c1csnn1)CC2 ZINC001050670359 681053457 /nfs/dbraw/zinc/05/34/57/681053457.db2.gz JNCSIEOXTVXXCN-LZWOXQAQSA-N 1 2 362.499 2.115 20 30 FEEDLO Cc1nsc(NC[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]2C)c1C#N ZINC001054763059 681117232 /nfs/dbraw/zinc/11/72/32/681117232.db2.gz PZWBVJIRXDDLBD-DGCLKSJQSA-N 1 2 358.471 2.186 20 30 FEEDLO C#C[C@H](NC(=O)N1CC[NH+](Cc2ccc(CC)s2)CC1)[C@H]1CCCO1 ZINC000773556513 681148222 /nfs/dbraw/zinc/14/82/22/681148222.db2.gz DFHIUJPFNYSJNW-ZWKOTPCHSA-N 1 2 361.511 2.319 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@@H]1CCC[N@H+](Cc2nncs2)CC1 ZINC000948384829 681577155 /nfs/dbraw/zinc/57/71/55/681577155.db2.gz GJNZQYYPSOGUMV-OAGGEKHMSA-N 1 2 364.515 2.332 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@@H]1CCC[N@@H+](Cc2nncs2)CC1 ZINC000948384829 681577157 /nfs/dbraw/zinc/57/71/57/681577157.db2.gz GJNZQYYPSOGUMV-OAGGEKHMSA-N 1 2 364.515 2.332 20 30 FEEDLO N#Cc1cc(Cl)c(C(=O)N2CC[NH2+][C@H](c3cn[nH]c3)C2)c(Cl)c1 ZINC000913450086 685477584 /nfs/dbraw/zinc/47/75/84/685477584.db2.gz WQKAWPZXGMWYHQ-ZDUSSCGKSA-N 1 2 350.209 2.375 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(C[N@@H+](CC)Cc2csnn2)CC1 ZINC000957755939 681923063 /nfs/dbraw/zinc/92/30/63/681923063.db2.gz VCDMINIYADTRIH-SJORKVTESA-N 1 2 364.515 2.190 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(C[N@H+](CC)Cc2csnn2)CC1 ZINC000957755939 681923068 /nfs/dbraw/zinc/92/30/68/681923068.db2.gz VCDMINIYADTRIH-SJORKVTESA-N 1 2 364.515 2.190 20 30 FEEDLO CCCCOCCNC(=O)CO[NH+]=C(N)c1ccc(Br)cc1 ZINC000782948116 682097217 /nfs/dbraw/zinc/09/72/17/682097217.db2.gz HLLVLQHCHHBBMF-UHFFFAOYSA-N 1 2 372.263 2.019 20 30 FEEDLO CC(C)S(=O)(=O)CCCO[NH+]=C(N)c1ccc(Br)cc1 ZINC000782949462 682097889 /nfs/dbraw/zinc/09/78/89/682097889.db2.gz IBQLCESYOPRSLQ-UHFFFAOYSA-N 1 2 363.277 2.299 20 30 FEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCCC[C@@H]2N2CCCC2=O)C1 ZINC000969878469 682280440 /nfs/dbraw/zinc/28/04/40/682280440.db2.gz RGHYYKOQKPQTEW-OIISXLGYSA-N 1 2 367.921 2.357 20 30 FEEDLO C[C@@H]1CC[N@H+](CCOc2cccc(C#N)c2)C[C@@H]1NC(=O)C(F)(F)F ZINC000852757878 682336418 /nfs/dbraw/zinc/33/64/18/682336418.db2.gz OZGFELXRYDJKRK-DOMZBBRYSA-N 1 2 355.360 2.326 20 30 FEEDLO C[C@@H]1CC[N@@H+](CCOc2cccc(C#N)c2)C[C@@H]1NC(=O)C(F)(F)F ZINC000852757878 682336421 /nfs/dbraw/zinc/33/64/21/682336421.db2.gz OZGFELXRYDJKRK-DOMZBBRYSA-N 1 2 355.360 2.326 20 30 FEEDLO CCC(=NNc1[nH+]ccn1C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000794858862 683000049 /nfs/dbraw/zinc/00/00/49/683000049.db2.gz BCDQZKKQSSDDBQ-UHFFFAOYSA-N 1 2 355.851 2.208 20 30 FEEDLO CC[C@H]([NH2+]C[C@H]1CCCCN1S(C)(=O)=O)c1cccc(C#N)c1O ZINC000926415636 683122806 /nfs/dbraw/zinc/12/28/06/683122806.db2.gz ULYJLKICUJENNW-ZBFHGGJFSA-N 1 2 351.472 2.119 20 30 FEEDLO COc1ncc(CO[NH+]=C(N)c2ccc(Br)cc2)c(C)n1 ZINC000799176493 683433611 /nfs/dbraw/zinc/43/36/11/683433611.db2.gz VVNWNNYHCZARDZ-UHFFFAOYSA-N 1 2 351.204 2.393 20 30 FEEDLO C#CC[NH+]1CCC(NS(=O)(=O)c2csnc2-c2ccccc2)CC1 ZINC000921436907 683467648 /nfs/dbraw/zinc/46/76/48/683467648.db2.gz GYRRNMAXQZEVIP-UHFFFAOYSA-N 1 2 361.492 2.186 20 30 FEEDLO C#CC[C@H](CO)NC(=O)N[C@@H]1CC[N@@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000921796549 683577802 /nfs/dbraw/zinc/57/78/02/683577802.db2.gz JUAOKLVQTBOCHV-XYPHTWIQSA-N 1 2 367.852 2.298 20 30 FEEDLO C#CC[C@H](CO)NC(=O)N[C@@H]1CC[N@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000921796549 683577805 /nfs/dbraw/zinc/57/78/05/683577805.db2.gz JUAOKLVQTBOCHV-XYPHTWIQSA-N 1 2 367.852 2.298 20 30 FEEDLO C[C@@H]([NH2+]CCN(C)S(=O)(=O)c1cccs1)c1cccc(C#N)c1O ZINC000866307711 684090793 /nfs/dbraw/zinc/09/07/93/684090793.db2.gz HNCZLAVCJSCFMQ-GFCCVEGCSA-N 1 2 365.480 2.297 20 30 FEEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2nc(Br)sc2Cl)C1 ZINC000923554969 684305398 /nfs/dbraw/zinc/30/53/98/684305398.db2.gz TXSJMDBIMJTUEA-QMMMGPOBSA-N 1 2 362.680 2.386 20 30 FEEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2nc(Br)sc2Cl)C1 ZINC000923554969 684305404 /nfs/dbraw/zinc/30/54/04/684305404.db2.gz TXSJMDBIMJTUEA-QMMMGPOBSA-N 1 2 362.680 2.386 20 30 FEEDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)NCc1ccc(SC)c(C#N)c1 ZINC000924043381 684394307 /nfs/dbraw/zinc/39/43/07/684394307.db2.gz YVXVVSUTWFRPBE-MRXNPFEDSA-N 1 2 362.499 2.190 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H](OC3CCC3)CC2)nc1 ZINC000872282723 684934585 /nfs/dbraw/zinc/93/45/85/684934585.db2.gz SKCLZJAFDFAOFY-QGZVFWFLSA-N 1 2 363.483 2.151 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@@H](OC3CCC3)CC2)nc1 ZINC000872282723 684934590 /nfs/dbraw/zinc/93/45/90/684934590.db2.gz SKCLZJAFDFAOFY-QGZVFWFLSA-N 1 2 363.483 2.151 20 30 FEEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1C[C@H](O)CC2(CCOCC2)C1 ZINC000880582637 687062616 /nfs/dbraw/zinc/06/26/16/687062616.db2.gz AQTIQSIZVWXQNT-OAHLLOKOSA-N 1 2 363.845 2.014 20 30 FEEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1C[C@H](O)CC2(CCOCC2)C1 ZINC000880582637 687062620 /nfs/dbraw/zinc/06/26/20/687062620.db2.gz AQTIQSIZVWXQNT-OAHLLOKOSA-N 1 2 363.845 2.014 20 30 FEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC(OCC2CCCCC2)CC1 ZINC000884111146 687792018 /nfs/dbraw/zinc/79/20/18/687792018.db2.gz CJHBHZCTDCPUJL-KRWDZBQOSA-N 1 2 352.475 2.021 20 30 FEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1C[C@H](c2cccc(Cl)c2)OC[C@@H]1C ZINC000884325645 687848977 /nfs/dbraw/zinc/84/89/77/687848977.db2.gz WSDUPLUJJOZAQW-VBNZEHGJSA-N 1 2 366.845 2.075 20 30 FEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H](c1cccc(F)c1F)C(F)(F)F ZINC000884331933 687850525 /nfs/dbraw/zinc/85/05/25/687850525.db2.gz AXSMPDDEGIHRRN-GWCFXTLKSA-N 1 2 366.286 2.131 20 30 FEEDLO N#CC1(C[C@H](O)C[N@@H+]2CCOC[C@H]2C[C@H](O)c2cccs2)CCC1 ZINC000886038439 688196224 /nfs/dbraw/zinc/19/62/24/688196224.db2.gz VOQJWHBTMZXTOU-PMPSAXMXSA-N 1 2 350.484 2.317 20 30 FEEDLO N#CC1(C[C@H](O)C[N@H+]2CCOC[C@H]2C[C@H](O)c2cccs2)CCC1 ZINC000886038439 688196234 /nfs/dbraw/zinc/19/62/34/688196234.db2.gz VOQJWHBTMZXTOU-PMPSAXMXSA-N 1 2 350.484 2.317 20 30 FEEDLO N#CC1(C[C@H](O)C[N@@H+]2CCOC[C@@H]2C[C@@H](O)c2cccs2)CCC1 ZINC000886038436 688196415 /nfs/dbraw/zinc/19/64/15/688196415.db2.gz VOQJWHBTMZXTOU-HRCADAONSA-N 1 2 350.484 2.317 20 30 FEEDLO N#CC1(C[C@H](O)C[N@H+]2CCOC[C@@H]2C[C@@H](O)c2cccs2)CCC1 ZINC000886038436 688196420 /nfs/dbraw/zinc/19/64/20/688196420.db2.gz VOQJWHBTMZXTOU-HRCADAONSA-N 1 2 350.484 2.317 20 30 FEEDLO C#CC[C@H](CO)[NH2+]Cc1csc(N(C(C)=O)c2ccc(OC)cc2)n1 ZINC000895490467 689726089 /nfs/dbraw/zinc/72/60/89/689726089.db2.gz PVWSXFFUHNJCCI-CQSZACIVSA-N 1 2 359.451 2.310 20 30 FEEDLO C#CC1(O)CC[NH+](Cc2ccc(Br)cc2NC(C)=O)CC1 ZINC000895539469 689732421 /nfs/dbraw/zinc/73/24/21/689732421.db2.gz ZNSVHGRRLDRAKK-UHFFFAOYSA-N 1 2 351.244 2.368 20 30 FEEDLO N#Cc1sc2ccccc2c1S(=O)(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000907136093 691404291 /nfs/dbraw/zinc/40/42/91/691404291.db2.gz HVZZRPDUQVGEKT-NSHDSACASA-N 1 2 358.448 2.263 20 30 FEEDLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2nc(Cl)nc(C)c2C#N)CC1 ZINC001164917909 721815630 /nfs/dbraw/zinc/81/56/30/721815630.db2.gz QDJIRCLSRIRBMB-UHFFFAOYSA-N 1 2 371.876 2.256 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000015742375 539622477 /nfs/dbraw/zinc/62/24/77/539622477.db2.gz SSQTWCSGFWPTMQ-UHFFFAOYSA-N 1 2 364.405 2.353 20 30 FEEDLO COc1ccc(OCC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000015742378 539622717 /nfs/dbraw/zinc/62/27/17/539622717.db2.gz ZHECFJZPXJFSPN-UHFFFAOYSA-N 1 2 365.433 2.290 20 30 FEEDLO C[C@H]1C[C@H](C)CN(C(=O)CN2CC[NH+](Cc3cccc(C#N)c3)CC2)C1 ZINC000023257494 539710745 /nfs/dbraw/zinc/71/07/45/539710745.db2.gz LCZDWUVIOGTDHN-ROUUACIJSA-N 1 2 354.498 2.180 20 30 FEEDLO C[C@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN(Cc3cccc(C#N)c3)CC2)C1 ZINC000023257494 539710747 /nfs/dbraw/zinc/71/07/47/539710747.db2.gz LCZDWUVIOGTDHN-ROUUACIJSA-N 1 2 354.498 2.180 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C[C@H](O)COc3ccccc3F)CC2)cc1 ZINC000025226459 539751588 /nfs/dbraw/zinc/75/15/88/539751588.db2.gz NWFYPGCUZQHUDM-IBGZPJMESA-N 1 2 369.440 2.255 20 30 FEEDLO COC(=O)C1CC[NH+](CC(=O)N(CCC#N)c2ccc(C)c(C)c2)CC1 ZINC000028928352 539839662 /nfs/dbraw/zinc/83/96/62/539839662.db2.gz GCQKBZYDMQTGFN-UHFFFAOYSA-N 1 2 357.454 2.435 20 30 FEEDLO CO/N=C/c1ccc(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC000032248837 539931888 /nfs/dbraw/zinc/93/18/88/539931888.db2.gz VSHSVGJTVHOXHL-VMHRPQTGSA-N 1 2 367.449 2.298 20 30 FEEDLO CO/N=C/c1ccc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC000032248837 539931890 /nfs/dbraw/zinc/93/18/90/539931890.db2.gz VSHSVGJTVHOXHL-VMHRPQTGSA-N 1 2 367.449 2.298 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CCOCC(F)(F)F)CC2)cc1 ZINC000045263530 540207960 /nfs/dbraw/zinc/20/79/60/540207960.db2.gz FFYRFOSVSMIZNG-UHFFFAOYSA-N 1 2 355.360 2.171 20 30 FEEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)[C@H](c2cccc(Cl)c2)N(C)C)c1C#N ZINC000534795704 540413386 /nfs/dbraw/zinc/41/33/86/540413386.db2.gz LKKQYRYXGDHIJH-INIZCTEOSA-N 1 2 374.876 2.328 20 30 FEEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN(Cc2csc(C(C)(C)C)n2)CC1 ZINC000052073083 540453405 /nfs/dbraw/zinc/45/34/05/540453405.db2.gz HBTRKWRBPBRVJM-AWEZNQCLSA-N 1 2 350.532 2.249 20 30 FEEDLO COC(=O)c1cc(C[N@H+](C)CC(=O)N(C)C2(C#N)CCCCC2)oc1C ZINC000053441780 540535163 /nfs/dbraw/zinc/53/51/63/540535163.db2.gz FSEFDCDQRVTESY-UHFFFAOYSA-N 1 2 361.442 2.491 20 30 FEEDLO COC(=O)c1cc(C[N@@H+](C)CC(=O)N(C)C2(C#N)CCCCC2)oc1C ZINC000053441780 540535167 /nfs/dbraw/zinc/53/51/67/540535167.db2.gz FSEFDCDQRVTESY-UHFFFAOYSA-N 1 2 361.442 2.491 20 30 FEEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000054485673 540591974 /nfs/dbraw/zinc/59/19/74/540591974.db2.gz DYYQDEPRGRUXOK-MRXNPFEDSA-N 1 2 350.422 2.065 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCC(NC(=O)Nc2ccccc2)CC1 ZINC000055030475 540623060 /nfs/dbraw/zinc/62/30/60/540623060.db2.gz GJJLUPVXYXGRTO-FQEVSTJZSA-N 1 2 371.485 2.327 20 30 FEEDLO N#CCSc1ccccc1NC(=O)C[NH+]1CCC(C(=O)NC2CC2)CC1 ZINC000055915016 540687288 /nfs/dbraw/zinc/68/72/88/540687288.db2.gz GODUDTDQRYSUPX-UHFFFAOYSA-N 1 2 372.494 2.231 20 30 FEEDLO N#Cc1cccc(S(=O)(=O)NCc2ccc(N3CCCCC3)[nH+]c2)c1 ZINC000056071160 540699631 /nfs/dbraw/zinc/69/96/31/540699631.db2.gz JLJKPKIRJMFGAC-UHFFFAOYSA-N 1 2 356.451 2.422 20 30 FEEDLO N#CC1(C(=O)N2CCN(Cc3cn4ccccc4[nH+]3)CC2)CCCCC1 ZINC000057427880 540795496 /nfs/dbraw/zinc/79/54/96/540795496.db2.gz OWBZMSIBHBEQEE-UHFFFAOYSA-N 1 2 351.454 2.453 20 30 FEEDLO N#Cc1cccnc1N1CCC[N@@H+](Cc2nc(N)c3ccccc3n2)CC1 ZINC000064633232 541213102 /nfs/dbraw/zinc/21/31/02/541213102.db2.gz TUDIREDZZQDVNQ-UHFFFAOYSA-N 1 2 359.437 2.191 20 30 FEEDLO N#Cc1cccnc1N1CCC[N@H+](Cc2nc(N)c3ccccc3n2)CC1 ZINC000064633232 541213104 /nfs/dbraw/zinc/21/31/04/541213104.db2.gz TUDIREDZZQDVNQ-UHFFFAOYSA-N 1 2 359.437 2.191 20 30 FEEDLO C=CCN(CC=C)C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000065697110 541254188 /nfs/dbraw/zinc/25/41/88/541254188.db2.gz FFOWNVAYNXBJTQ-UHFFFAOYSA-N 1 2 359.470 2.281 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCN(c2ccc(Cl)cn2)CC1 ZINC000066869639 541384260 /nfs/dbraw/zinc/38/42/60/541384260.db2.gz PZGNOILWNXGQDW-KSSFIOAISA-N 1 2 363.893 2.300 20 30 FEEDLO CCCCc1nc(CO[NH+]=C(N)c2ccc(-n3nc(C)cc3C)nc2)no1 ZINC000067099257 541417717 /nfs/dbraw/zinc/41/77/17/541417717.db2.gz BDCGPZNADUQKKV-UHFFFAOYSA-N 1 2 369.429 2.447 20 30 FEEDLO N#Cc1ccc(NC(=O)C(=O)NCC[NH+]2Cc3ccccc3C2)cc1Cl ZINC000068245279 541568248 /nfs/dbraw/zinc/56/82/48/541568248.db2.gz VIKOQJUNARYAOJ-UHFFFAOYSA-N 1 2 368.824 2.282 20 30 FEEDLO N#Cc1ccc(N2CCN(Cc3cn4ccccc4[nH+]3)CC2)c([N+](=O)[O-])c1 ZINC000073109265 541919851 /nfs/dbraw/zinc/91/98/51/541919851.db2.gz BTPTYAZUDGLLJL-UHFFFAOYSA-N 1 2 362.393 2.436 20 30 FEEDLO CO[C@@H]1CCCC[C@H]1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000075098550 542151954 /nfs/dbraw/zinc/15/19/54/542151954.db2.gz YAESIGIJXQKZAH-RTBURBONSA-N 1 2 356.470 2.343 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(Cc3nc(-c4ccccn4)no3)CC2)cc1 ZINC000076574823 542295704 /nfs/dbraw/zinc/29/57/04/542295704.db2.gz GXUPADBGMRATSW-UHFFFAOYSA-N 1 2 360.421 2.321 20 30 FEEDLO CCN(CCC#N)C(=O)C[NH+]1CCN(Cc2ccc(F)cc2Cl)CC1 ZINC000076948899 542333119 /nfs/dbraw/zinc/33/31/19/542333119.db2.gz NPHCIQLZKMTXEF-UHFFFAOYSA-N 1 2 366.868 2.359 20 30 FEEDLO Cc1cc(C)c(C#N)c(N2CC[NH+](CC(=O)N3C[C@@H](C)C[C@H](C)C3)CC2)n1 ZINC000078596525 542469465 /nfs/dbraw/zinc/46/94/65/542469465.db2.gz FAYRORHKCQLVAB-HOTGVXAUSA-N 1 2 369.513 2.197 20 30 FEEDLO CC[NH+]1CCN(C(=O)[C@@H](C)Sc2nc3c(cc2C#N)CCCC3)CC1 ZINC000078874156 542486026 /nfs/dbraw/zinc/48/60/26/542486026.db2.gz VJVKWLZPGBDLPP-CQSZACIVSA-N 1 2 358.511 2.477 20 30 FEEDLO Cc1cccc(C[NH+]2CCN(C(=O)C(=O)Nc3cccc(C#N)c3)CC2)c1 ZINC000080212334 542575306 /nfs/dbraw/zinc/57/53/06/542575306.db2.gz KWMKOIPYRZYYND-UHFFFAOYSA-N 1 2 362.433 2.150 20 30 FEEDLO COc1cc(C[NH+]2CCN(C(=O)C3(C#N)CCCC3)CC2)cc(OC)c1 ZINC000081008864 542623654 /nfs/dbraw/zinc/62/36/54/542623654.db2.gz BOKKCKJLXXXDKY-UHFFFAOYSA-N 1 2 357.454 2.432 20 30 FEEDLO CC(C)N(C)C(=O)C1CC[NH+]([C@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000083168578 542692737 /nfs/dbraw/zinc/69/27/37/542692737.db2.gz NBIJZFOJCMWOMS-INIZCTEOSA-N 1 2 374.510 2.304 20 30 FEEDLO N#Cc1ccsc1C(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000111125014 543382759 /nfs/dbraw/zinc/38/27/59/543382759.db2.gz KANUQXFQWFCARK-QGZVFWFLSA-N 1 2 355.463 2.293 20 30 FEEDLO C=CC1CC[NH+](CC(=O)N([C@H]2CCS(=O)(=O)C2)C2CCCCC2)CC1 ZINC000111259802 543390167 /nfs/dbraw/zinc/39/01/67/543390167.db2.gz QIIKHEVDJDDVRK-SFHVURJKSA-N 1 2 368.543 2.233 20 30 FEEDLO CC(=O)N(C)C1CC[NH+](CC(=O)Nc2ccccc2SCC#N)CC1 ZINC000112544711 543450844 /nfs/dbraw/zinc/45/08/44/543450844.db2.gz WMGZCVUSVQXMDJ-UHFFFAOYSA-N 1 2 360.483 2.183 20 30 FEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN(CC(F)(F)C(F)F)CC1 ZINC000114492035 543521363 /nfs/dbraw/zinc/52/13/63/543521363.db2.gz QWOWJLUKMPUSGN-CYBMUJFWSA-N 1 2 351.388 2.094 20 30 FEEDLO Cc1cccc([C@@H](CNC(=O)c2ccc(C#N)nc2)[NH+]2CCOCC2)c1 ZINC000115027634 543549738 /nfs/dbraw/zinc/54/97/38/543549738.db2.gz IJJUAUAAOAFLEZ-LJQANCHMSA-N 1 2 350.422 2.065 20 30 FEEDLO N#Cc1ccc(C(=O)N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)cn1 ZINC000115319014 543559576 /nfs/dbraw/zinc/55/95/76/543559576.db2.gz OTZZNZBBVWEFLM-UHFFFAOYSA-N 1 2 370.840 2.443 20 30 FEEDLO N#Cc1ccc([C@@H]([NH2+]Cc2ccc(OCC(F)(F)F)nc2)C(N)=O)cc1 ZINC000115596971 543576929 /nfs/dbraw/zinc/57/69/29/543576929.db2.gz RSEPRFJPUVYZTM-OAHLLOKOSA-N 1 2 364.327 2.211 20 30 FEEDLO CCCc1ccc([C@H](C)[N@H+](CC(N)=O)CC(=O)N[C@@](C)(C#N)C2CC2)cc1 ZINC000116785131 543615947 /nfs/dbraw/zinc/61/59/47/543615947.db2.gz WYADOFHUYOKNOQ-BTYIYWSLSA-N 1 2 370.497 2.296 20 30 FEEDLO CCCc1ccc([C@H](C)[N@@H+](CC(N)=O)CC(=O)N[C@@](C)(C#N)C2CC2)cc1 ZINC000116785131 543615949 /nfs/dbraw/zinc/61/59/49/543615949.db2.gz WYADOFHUYOKNOQ-BTYIYWSLSA-N 1 2 370.497 2.296 20 30 FEEDLO CCCc1noc(CO[NH+]=C(N)c2ccc(-n3nc(C)cc3C)nc2)n1 ZINC000122237036 543704783 /nfs/dbraw/zinc/70/47/83/543704783.db2.gz BLRLXKPTXJEIGG-UHFFFAOYSA-N 1 2 355.402 2.057 20 30 FEEDLO C=C[C@@H](CC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1)c1ccccc1 ZINC000123696902 543777836 /nfs/dbraw/zinc/77/78/36/543777836.db2.gz QWAMGRXDABYYMH-SFHVURJKSA-N 1 2 355.482 2.113 20 30 FEEDLO Cc1cc(C)n(-c2ccc(C(N)=[NH+]OCc3nc(C(C)(C)C)no3)cn2)n1 ZINC000123441093 543761599 /nfs/dbraw/zinc/76/15/99/543761599.db2.gz YJMNJRDIJLCEAV-UHFFFAOYSA-N 1 2 369.429 2.402 20 30 FEEDLO C=C[C@@H](CC(=O)N1CC[NH+](CC(=O)N(CC)CC)CC1)c1ccccc1 ZINC000126373544 543932339 /nfs/dbraw/zinc/93/23/39/543932339.db2.gz BMEZRFRDQJNETA-SFHVURJKSA-N 1 2 357.498 2.359 20 30 FEEDLO C#CCN(C(=O)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1)C1CCCC1 ZINC000128022573 544028276 /nfs/dbraw/zinc/02/82/76/544028276.db2.gz CBKKMYKGITWCSS-UHFFFAOYSA-N 1 2 350.422 2.430 20 30 FEEDLO CCCOc1ccc(/C=[NH+]/C[C@H]2CCC[C@@H]2NS(C)(=O)=O)c(O)c1 ZINC000129371120 544108368 /nfs/dbraw/zinc/10/83/68/544108368.db2.gz IPVRNEBLJFEVPW-QHQMAFQBSA-N 1 2 354.472 2.318 20 30 FEEDLO CC(C)CNC(=O)[C@H](C)[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000130850713 544167659 /nfs/dbraw/zinc/16/76/59/544167659.db2.gz DKFLSQXEQYFHQI-INIZCTEOSA-N 1 2 365.481 2.389 20 30 FEEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[NH+]1CCC(OC[C@H]2CCOC2)CC1 ZINC000131792644 544206781 /nfs/dbraw/zinc/20/67/81/544206781.db2.gz XCSNBRKQMNEREX-QFBILLFUSA-N 1 2 358.438 2.290 20 30 FEEDLO Cn1cc(C#N)cc1C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000133448405 544270542 /nfs/dbraw/zinc/27/05/42/544270542.db2.gz UGNGSTJYTMSLIK-MSOLQXFVSA-N 1 2 372.856 2.352 20 30 FEEDLO Cn1cc(C#N)cc1C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000133448405 544270544 /nfs/dbraw/zinc/27/05/44/544270544.db2.gz UGNGSTJYTMSLIK-MSOLQXFVSA-N 1 2 372.856 2.352 20 30 FEEDLO COc1ccc(C[N@@H+](CC(=O)N2CCCC2)C[C@H]2CCCO2)cc1C#N ZINC000135109736 544334785 /nfs/dbraw/zinc/33/47/85/544334785.db2.gz KXQJKWNVAFPHRS-GOSISDBHSA-N 1 2 357.454 2.170 20 30 FEEDLO COc1ccc(C[N@H+](CC(=O)N2CCCC2)C[C@H]2CCCO2)cc1C#N ZINC000135109736 544334787 /nfs/dbraw/zinc/33/47/87/544334787.db2.gz KXQJKWNVAFPHRS-GOSISDBHSA-N 1 2 357.454 2.170 20 30 FEEDLO C=CCOc1cccc(NC(=O)C(=O)NCc2cn3ccccc3[nH+]2)c1 ZINC000141465634 544413196 /nfs/dbraw/zinc/41/31/96/544413196.db2.gz FWPUCOFCBVCERZ-UHFFFAOYSA-N 1 2 350.378 2.154 20 30 FEEDLO C=CCOc1cccc(NC(=O)C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000151461714 544543874 /nfs/dbraw/zinc/54/38/74/544543874.db2.gz BNNRPTAFYIFYAD-CRAIPNDOSA-N 1 2 368.437 2.496 20 30 FEEDLO CC1(C)NC(=O)N(CCCO[NH+]=C(N)c2cccc(C(F)(F)F)c2)C1=O ZINC000152975492 544719043 /nfs/dbraw/zinc/71/90/43/544719043.db2.gz VQTZUJXFVQFXHM-UHFFFAOYSA-N 1 2 372.347 2.063 20 30 FEEDLO N#Cc1ccccc1S(=O)(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000181720653 327743653 /nfs/dbraw/zinc/74/36/53/327743653.db2.gz WPZGGKITZBVNOK-UHFFFAOYSA-N 1 2 366.446 2.476 20 30 FEEDLO Cn1cc(C[N@H+](C)[C@H](C(N)=O)c2cccc(Br)c2)cc1C#N ZINC000191499343 328268735 /nfs/dbraw/zinc/26/87/35/328268735.db2.gz HPYDAFQGLHISLI-HNNXBMFYSA-N 1 2 361.243 2.318 20 30 FEEDLO Cn1cc(C[N@@H+](C)[C@H](C(N)=O)c2cccc(Br)c2)cc1C#N ZINC000191499343 328268737 /nfs/dbraw/zinc/26/87/37/328268737.db2.gz HPYDAFQGLHISLI-HNNXBMFYSA-N 1 2 361.243 2.318 20 30 FEEDLO Cn1c[nH+]cc1CCC(=O)N1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000193037293 328353405 /nfs/dbraw/zinc/35/34/05/328353405.db2.gz QVNCJLDXQMXQRV-UHFFFAOYSA-N 1 2 374.448 2.121 20 30 FEEDLO COc1cc(C#N)ccc1OCC[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000077248062 324983229 /nfs/dbraw/zinc/98/32/29/324983229.db2.gz WJYYSYODJPWZCC-UHFFFAOYSA-N 1 2 363.421 2.035 20 30 FEEDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)c3cc(C#N)cn3C)CC2)c1 ZINC000081748523 325195440 /nfs/dbraw/zinc/19/54/40/325195440.db2.gz LETVIWIJRJWYEA-OAHLLOKOSA-N 1 2 352.438 2.424 20 30 FEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[NH+]1CCC(CC(=O)N2CCCC2)CC1 ZINC000083168679 325214100 /nfs/dbraw/zinc/21/41/00/325214100.db2.gz APWDUYXIHTWQTK-FQEVSTJZSA-N 1 2 369.465 2.497 20 30 FEEDLO COC(=O)c1cc(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)c(C)s1 ZINC000089116837 325304031 /nfs/dbraw/zinc/30/40/31/325304031.db2.gz ZKFYNYCOFBDJII-UHFFFAOYSA-N 1 2 356.451 2.432 20 30 FEEDLO Cc1ccccc1Cc1nc(C[N@H+](C)CCCc2[nH]nc(N)c2C#N)no1 ZINC000089942887 325343996 /nfs/dbraw/zinc/34/39/96/325343996.db2.gz LCIDSNGEYVTRMS-UHFFFAOYSA-N 1 2 365.441 2.210 20 30 FEEDLO Cc1ccccc1Cc1nc(C[N@@H+](C)CCCc2[nH]nc(N)c2C#N)no1 ZINC000089942887 325343998 /nfs/dbraw/zinc/34/39/98/325343998.db2.gz LCIDSNGEYVTRMS-UHFFFAOYSA-N 1 2 365.441 2.210 20 30 FEEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000091936557 325398677 /nfs/dbraw/zinc/39/86/77/325398677.db2.gz LQGFBSXXMNNNON-DRDHIDPGSA-N 1 2 364.409 2.480 20 30 FEEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000091936557 325398678 /nfs/dbraw/zinc/39/86/78/325398678.db2.gz LQGFBSXXMNNNON-DRDHIDPGSA-N 1 2 364.409 2.480 20 30 FEEDLO C[C@H]([C@H](C)NC(=O)Nc1cc(C#N)ccc1OC(F)F)[NH+]1CCOCC1 ZINC000105036501 325553957 /nfs/dbraw/zinc/55/39/57/325553957.db2.gz MFEWXTJFNSLGSU-NWDGAFQWSA-N 1 2 368.384 2.390 20 30 FEEDLO CCc1[nH+]c2ccccc2n1CC(=O)N1CCN(c2ccc(C#N)cn2)CC1 ZINC000117700555 326067354 /nfs/dbraw/zinc/06/73/54/326067354.db2.gz YIKZVOYOUIMTCE-UHFFFAOYSA-N 1 2 374.448 2.214 20 30 FEEDLO CC(C)CO[C@H]1CC[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 ZINC000119592456 326179134 /nfs/dbraw/zinc/17/91/34/326179134.db2.gz XLVDYXKDYOOOEE-SFHVURJKSA-N 1 2 367.453 2.429 20 30 FEEDLO CC(C)CO[C@H]1CC[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 ZINC000119592456 326179136 /nfs/dbraw/zinc/17/91/36/326179136.db2.gz XLVDYXKDYOOOEE-SFHVURJKSA-N 1 2 367.453 2.429 20 30 FEEDLO COc1cc(OC)cc([C@@H](NC(=O)c2ccc(C#N)[nH]2)c2[nH+]ccn2C)c1 ZINC000153864785 326745008 /nfs/dbraw/zinc/74/50/08/326745008.db2.gz ACOBIXACOSSFFA-QGZVFWFLSA-N 1 2 365.393 2.156 20 30 FEEDLO CCCn1cc(C[N@@H+]2CCCN(C(=O)c3ccc(C#N)c(C)n3)CC2)cn1 ZINC000171818614 327163641 /nfs/dbraw/zinc/16/36/41/327163641.db2.gz JJBLDWGZOKHHEL-UHFFFAOYSA-N 1 2 366.469 2.216 20 30 FEEDLO CCCn1cc(C[N@H+]2CCCN(C(=O)c3ccc(C#N)c(C)n3)CC2)cn1 ZINC000171818614 327163642 /nfs/dbraw/zinc/16/36/42/327163642.db2.gz JJBLDWGZOKHHEL-UHFFFAOYSA-N 1 2 366.469 2.216 20 30 FEEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCN(c2cnn(C)c2)CC1 ZINC000174931046 327361633 /nfs/dbraw/zinc/36/16/33/327361633.db2.gz LASMEMTXYDJZRN-ZDUSSCGKSA-N 1 2 372.860 2.094 20 30 FEEDLO COC(=O)[C@@H](NC[C@H](CC(C)C)[NH+]1CCOCC1)c1cccc(C#N)c1 ZINC000176713883 327471544 /nfs/dbraw/zinc/47/15/44/327471544.db2.gz KFZSAGDEPLEULH-OALUTQOASA-N 1 2 359.470 2.109 20 30 FEEDLO Cc1c(C#N)cccc1NC(=O)C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000178525316 327590470 /nfs/dbraw/zinc/59/04/70/327590470.db2.gz YNAFNRKEUMMIMO-DYVFJYSZSA-N 1 2 351.410 2.111 20 30 FEEDLO N#Cc1cc(C(F)(F)F)ccc1N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000267085754 329290351 /nfs/dbraw/zinc/29/03/51/329290351.db2.gz VUTQSWWSOLZHDC-UHFFFAOYSA-N 1 2 366.387 2.321 20 30 FEEDLO Cc1nc(C(=O)N2CC[C@H](Oc3ccc[nH+]c3N(C)C)C2)ccc1C#N ZINC000275760371 330085663 /nfs/dbraw/zinc/08/56/63/330085663.db2.gz WXNHQOWHTBIQKM-HNNXBMFYSA-N 1 2 351.410 2.016 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)s1 ZINC000367098738 330216810 /nfs/dbraw/zinc/21/68/10/330216810.db2.gz HVZMUMNSJMJMLG-UHFFFAOYSA-N 1 2 362.411 2.423 20 30 FEEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000155814645 545572202 /nfs/dbraw/zinc/57/22/02/545572202.db2.gz DGWWCJMYGTVOPR-CQSZACIVSA-N 1 2 366.450 2.481 20 30 FEEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000155814645 545572205 /nfs/dbraw/zinc/57/22/05/545572205.db2.gz DGWWCJMYGTVOPR-CQSZACIVSA-N 1 2 366.450 2.481 20 30 FEEDLO N#Cc1ccccc1S(=O)(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000156578952 545637498 /nfs/dbraw/zinc/63/74/98/545637498.db2.gz HFNLUWKXWUEGSG-UHFFFAOYSA-N 1 2 356.451 2.422 20 30 FEEDLO CCOC(=O)c1ccc(N2CCC[N@H+](C[C@H](C#N)CCC#N)CC2)nc1 ZINC000158058468 545818054 /nfs/dbraw/zinc/81/80/54/545818054.db2.gz KIJHENAAHMHWMS-INIZCTEOSA-N 1 2 355.442 2.214 20 30 FEEDLO CCOC(=O)c1ccc(N2CCC[N@@H+](C[C@H](C#N)CCC#N)CC2)nc1 ZINC000158058468 545818057 /nfs/dbraw/zinc/81/80/57/545818057.db2.gz KIJHENAAHMHWMS-INIZCTEOSA-N 1 2 355.442 2.214 20 30 FEEDLO N#Cc1ccc(F)c(CS(=O)(=O)NC2CCN(c3cccc[nH+]3)CC2)c1 ZINC000160648422 546058829 /nfs/dbraw/zinc/05/88/29/546058829.db2.gz JDWYSOFGLDZIMJ-UHFFFAOYSA-N 1 2 374.441 2.181 20 30 FEEDLO C=CCn1c(SC[C@@H](O)C[NH+]2CCOCC2)nnc1-c1ccc(C)cc1 ZINC000162958348 546142724 /nfs/dbraw/zinc/14/27/24/546142724.db2.gz NGPLBKVOJLABPF-KRWDZBQOSA-N 1 2 374.510 2.225 20 30 FEEDLO N#CC1CC[NH+](CC(=O)Nc2cccc(C(=O)N3CCSCC3)c2)CC1 ZINC000170644080 546167680 /nfs/dbraw/zinc/16/76/80/546167680.db2.gz CAKLWGBFEPFSPS-UHFFFAOYSA-N 1 2 372.494 2.050 20 30 FEEDLO C=CC[N@@H+](Cc1ccc2oc(C(=O)OC)cc2c1)[C@@H]1CCS(=O)(=O)C1 ZINC000172798674 546268091 /nfs/dbraw/zinc/26/80/91/546268091.db2.gz DRYDDHJBAMENNG-OAHLLOKOSA-N 1 2 363.435 2.395 20 30 FEEDLO C=CC[N@H+](Cc1ccc2oc(C(=O)OC)cc2c1)[C@@H]1CCS(=O)(=O)C1 ZINC000172798674 546268096 /nfs/dbraw/zinc/26/80/96/546268096.db2.gz DRYDDHJBAMENNG-OAHLLOKOSA-N 1 2 363.435 2.395 20 30 FEEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH2+]Cc2nnc3n2CCCC3)cc1 ZINC000173638525 546284471 /nfs/dbraw/zinc/28/44/71/546284471.db2.gz NUNGYJQQJMIDDN-INIZCTEOSA-N 1 2 366.469 2.348 20 30 FEEDLO CNC(=O)CC1CC[NH+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000175013280 546305746 /nfs/dbraw/zinc/30/57/46/546305746.db2.gz SNQQGVLSCBEVMD-LBPRGKRZSA-N 1 2 374.510 2.284 20 30 FEEDLO CO[C@]1(C)C[C@H]([N@H+](C)CCS(=O)(=O)c2ccc(C#N)cc2)C1(C)C ZINC000176286942 546427639 /nfs/dbraw/zinc/42/76/39/546427639.db2.gz WVQIZMSNXKMZLA-FUHWJXTLSA-N 1 2 350.484 2.467 20 30 FEEDLO CO[C@]1(C)C[C@H]([N@@H+](C)CCS(=O)(=O)c2ccc(C#N)cc2)C1(C)C ZINC000176286942 546427642 /nfs/dbraw/zinc/42/76/42/546427642.db2.gz WVQIZMSNXKMZLA-FUHWJXTLSA-N 1 2 350.484 2.467 20 30 FEEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH+]2CCC(C)(O)CC2)c1C#N ZINC000177308956 546592386 /nfs/dbraw/zinc/59/23/86/546592386.db2.gz HZBMNACKCDQDJA-UHFFFAOYSA-N 1 2 370.453 2.403 20 30 FEEDLO Cc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000177708079 546672914 /nfs/dbraw/zinc/67/29/14/546672914.db2.gz LCQMYZXEQBOAIM-WMLDXEAASA-N 1 2 351.410 2.111 20 30 FEEDLO C=CCn1c2nnc(SCc3c[nH+]cn3C)n2c2ccccc2c1=O ZINC000481760929 561241274 /nfs/dbraw/zinc/24/12/74/561241274.db2.gz LREYLKBRWTWRIU-UHFFFAOYSA-N 1 2 352.423 2.256 20 30 FEEDLO C=CCCC[C@H](C)NC(=O)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000180928777 547211159 /nfs/dbraw/zinc/21/11/59/547211159.db2.gz UMTSSRXKBBWFRE-INIZCTEOSA-N 1 2 359.470 2.318 20 30 FEEDLO N#Cc1nc(-c2ccco2)oc1N1CC[NH+](CCO[C@@H]2CCCCO2)CC1 ZINC000181748299 547372397 /nfs/dbraw/zinc/37/23/97/547372397.db2.gz KRJZSLLHTHVRMH-QGZVFWFLSA-N 1 2 372.425 2.471 20 30 FEEDLO CCC(CC)C[N@H+](CCC#N)CC(=O)N[C@H](C)C(=O)N1CCCCC1 ZINC000484906180 561308438 /nfs/dbraw/zinc/30/84/38/561308438.db2.gz DTXWRPAWKMOVDC-MRXNPFEDSA-N 1 2 350.507 2.155 20 30 FEEDLO CCC(CC)C[N@@H+](CCC#N)CC(=O)N[C@H](C)C(=O)N1CCCCC1 ZINC000484906180 561308439 /nfs/dbraw/zinc/30/84/39/561308439.db2.gz DTXWRPAWKMOVDC-MRXNPFEDSA-N 1 2 350.507 2.155 20 30 FEEDLO C#CCOc1ccccc1NC(=O)C(=O)NCCCCNc1cccc[nH+]1 ZINC000184416989 547823902 /nfs/dbraw/zinc/82/39/02/547823902.db2.gz QLSBEOHSWPBWAM-UHFFFAOYSA-N 1 2 366.421 2.041 20 30 FEEDLO C=C(C)C[C@H](C)C(=O)N1CC[NH+](CCNC(=O)c2ccccc2F)CC1 ZINC000185508832 547995565 /nfs/dbraw/zinc/99/55/65/547995565.db2.gz MINMLDCORJRYPA-INIZCTEOSA-N 1 2 361.461 2.302 20 30 FEEDLO C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCC(O)(c2c(F)cccc2F)CC1 ZINC000186495396 548143399 /nfs/dbraw/zinc/14/33/99/548143399.db2.gz CENLKSTVIWFXDV-ZDUSSCGKSA-N 1 2 351.397 2.009 20 30 FEEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000188395129 548279292 /nfs/dbraw/zinc/27/92/92/548279292.db2.gz DAACKYNMDLMORX-OXQOHEQNSA-N 1 2 373.501 2.001 20 30 FEEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000188395129 548279296 /nfs/dbraw/zinc/27/92/96/548279296.db2.gz DAACKYNMDLMORX-OXQOHEQNSA-N 1 2 373.501 2.001 20 30 FEEDLO C=CCOc1cc(OC)ccc1C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000194743773 548524559 /nfs/dbraw/zinc/52/45/59/548524559.db2.gz DOVSQNJEQLBLJS-IYBDPMFKSA-N 1 2 362.470 2.441 20 30 FEEDLO C=CCOc1cc(OC)ccc1C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000194743773 548524563 /nfs/dbraw/zinc/52/45/63/548524563.db2.gz DOVSQNJEQLBLJS-IYBDPMFKSA-N 1 2 362.470 2.441 20 30 FEEDLO Cc1cc(C[NH+]2CCN(CC(=O)N3C[C@@H](C)C[C@H](C)C3)CC2)ccc1C#N ZINC000486791645 561356783 /nfs/dbraw/zinc/35/67/83/561356783.db2.gz OBBZFFCKELGDQJ-ROUUACIJSA-N 1 2 368.525 2.489 20 30 FEEDLO Cc1cc(CN2CC[NH+](CC(=O)N3C[C@@H](C)C[C@H](C)C3)CC2)ccc1C#N ZINC000486791645 561356784 /nfs/dbraw/zinc/35/67/84/561356784.db2.gz OBBZFFCKELGDQJ-ROUUACIJSA-N 1 2 368.525 2.489 20 30 FEEDLO Cc1cc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)nc2ccccc12 ZINC000195166247 548588551 /nfs/dbraw/zinc/58/85/51/548588551.db2.gz LPAHFFPVBNJDQG-UHFFFAOYSA-N 1 2 352.438 2.231 20 30 FEEDLO CC[C@@H]1C[N@H+](CCNC(=O)Nc2cc(C#N)ccc2OC(F)F)CCO1 ZINC000488293904 561387554 /nfs/dbraw/zinc/38/75/54/561387554.db2.gz GIAHTRIXPWFZKO-CYBMUJFWSA-N 1 2 368.384 2.392 20 30 FEEDLO CC[C@@H]1C[N@@H+](CCNC(=O)Nc2cc(C#N)ccc2OC(F)F)CCO1 ZINC000488293904 561387555 /nfs/dbraw/zinc/38/75/55/561387555.db2.gz GIAHTRIXPWFZKO-CYBMUJFWSA-N 1 2 368.384 2.392 20 30 FEEDLO C=CC[N@@H+](C[C@@H](O)COc1c(C)ccc(C)c1C)[C@H]1CCS(=O)(=O)C1 ZINC000246227786 549085044 /nfs/dbraw/zinc/08/50/44/549085044.db2.gz FVKKUSNHWZCALC-ZWKOTPCHSA-N 1 2 367.511 2.027 20 30 FEEDLO C=CC[N@H+](C[C@@H](O)COc1c(C)ccc(C)c1C)[C@H]1CCS(=O)(=O)C1 ZINC000246227786 549085046 /nfs/dbraw/zinc/08/50/46/549085046.db2.gz FVKKUSNHWZCALC-ZWKOTPCHSA-N 1 2 367.511 2.027 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000488418810 561389695 /nfs/dbraw/zinc/38/96/95/561389695.db2.gz JWPUNDRHVBKSMP-SWLSCSKDSA-N 1 2 359.396 2.320 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000488418812 561389708 /nfs/dbraw/zinc/38/97/08/561389708.db2.gz JWPUNDRHVBKSMP-WFASDCNBSA-N 1 2 359.396 2.320 20 30 FEEDLO CC(C)C(=O)NC[C@@H]1CCC[N@@H+]([C@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000246578144 549166587 /nfs/dbraw/zinc/16/65/87/549166587.db2.gz WAAUJLUITPZVBJ-HOCLYGCPSA-N 1 2 374.510 2.209 20 30 FEEDLO CC(C)C(=O)NC[C@@H]1CCC[N@H+]([C@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000246578144 549166591 /nfs/dbraw/zinc/16/65/91/549166591.db2.gz WAAUJLUITPZVBJ-HOCLYGCPSA-N 1 2 374.510 2.209 20 30 FEEDLO C=CCn1c2nnc(SCc3[nH+]ccn3C)n2c2ccccc2c1=O ZINC000248138927 549410751 /nfs/dbraw/zinc/41/07/51/549410751.db2.gz POSPDSBXWSQWKJ-UHFFFAOYSA-N 1 2 352.423 2.256 20 30 FEEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 ZINC000248783080 549501032 /nfs/dbraw/zinc/50/10/32/549501032.db2.gz WYBXSIRRLYQXSU-ZBFHGGJFSA-N 1 2 362.470 2.366 20 30 FEEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 ZINC000248783080 549501035 /nfs/dbraw/zinc/50/10/35/549501035.db2.gz WYBXSIRRLYQXSU-ZBFHGGJFSA-N 1 2 362.470 2.366 20 30 FEEDLO CCCn1cc[nH+]c1CCCN(C)S(=O)(=O)c1cnc(C)c(C#N)c1 ZINC000489824690 561419910 /nfs/dbraw/zinc/41/99/10/561419910.db2.gz CDRCJBVMKDCDIG-UHFFFAOYSA-N 1 2 361.471 2.122 20 30 FEEDLO N#Cc1ccc(NC(=O)C(=O)NCCCNc2cccc[nH+]2)c(Cl)c1 ZINC000490380576 561432165 /nfs/dbraw/zinc/43/21/65/561432165.db2.gz JXBBMQQNCKQWSG-UHFFFAOYSA-N 1 2 357.801 2.164 20 30 FEEDLO C#CCN(CC)C(=O)C(=O)Nc1cccc(C[N@H+](C)Cc2cscn2)c1 ZINC000264889329 550002716 /nfs/dbraw/zinc/00/27/16/550002716.db2.gz VXHDWFIOLSTFMJ-UHFFFAOYSA-N 1 2 370.478 2.195 20 30 FEEDLO C#CCN(CC)C(=O)C(=O)Nc1cccc(C[N@@H+](C)Cc2cscn2)c1 ZINC000264889329 550002718 /nfs/dbraw/zinc/00/27/18/550002718.db2.gz VXHDWFIOLSTFMJ-UHFFFAOYSA-N 1 2 370.478 2.195 20 30 FEEDLO CC(C)OCCC[N@H+](C)CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000265819619 550014532 /nfs/dbraw/zinc/01/45/32/550014532.db2.gz AQLZCHSNWSMTOA-HNNXBMFYSA-N 1 2 356.426 2.259 20 30 FEEDLO CC(C)OCCC[N@@H+](C)CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000265819619 550014534 /nfs/dbraw/zinc/01/45/34/550014534.db2.gz AQLZCHSNWSMTOA-HNNXBMFYSA-N 1 2 356.426 2.259 20 30 FEEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCN(c2cccc(O)c2)CC1 ZINC000265974428 550015695 /nfs/dbraw/zinc/01/56/95/550015695.db2.gz WQHXPZUJMTYHPH-INIZCTEOSA-N 1 2 356.470 2.245 20 30 FEEDLO COc1cccc(C(N)=[NH+]OCC(=O)N[C@H](C)c2ccccc2OC)c1 ZINC000266202006 550018524 /nfs/dbraw/zinc/01/85/24/550018524.db2.gz LJHPNGWSIIYTKT-CYBMUJFWSA-N 1 2 357.410 2.218 20 30 FEEDLO C#CC[N@@H+](CC)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F ZINC000266949901 550025914 /nfs/dbraw/zinc/02/59/14/550025914.db2.gz TZCFRXOCNOISGU-AWEZNQCLSA-N 1 2 353.344 2.248 20 30 FEEDLO C#CC[N@H+](CC)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F ZINC000266949901 550025916 /nfs/dbraw/zinc/02/59/16/550025916.db2.gz TZCFRXOCNOISGU-AWEZNQCLSA-N 1 2 353.344 2.248 20 30 FEEDLO N#Cc1ccc(CNC(=O)C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)cc1 ZINC000266927583 550026032 /nfs/dbraw/zinc/02/60/32/550026032.db2.gz NSLPOPNENATGKI-OAQYLSRUSA-N 1 2 373.460 2.057 20 30 FEEDLO CCC(=O)Nc1ccc(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1 ZINC000267469912 550032402 /nfs/dbraw/zinc/03/24/02/550032402.db2.gz UNAHILRDOVIDTO-UHFFFAOYSA-N 1 2 373.457 2.115 20 30 FEEDLO N#CCc1ccc(C(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)cc1 ZINC000270410430 550269873 /nfs/dbraw/zinc/26/98/73/550269873.db2.gz HSDWMBDXNOVUFK-OAQYLSRUSA-N 1 2 363.461 2.426 20 30 FEEDLO C=CCS(=O)(=O)CC[NH2+]Cc1csc(COc2ccccc2)n1 ZINC000272878480 550474996 /nfs/dbraw/zinc/47/49/96/550474996.db2.gz UVHPUVBXRKYBIF-UHFFFAOYSA-N 1 2 352.481 2.413 20 30 FEEDLO CCN(CC)c1ccc(CNC(=O)C(=O)Nc2sccc2C#N)c[nH+]1 ZINC000274882751 550562338 /nfs/dbraw/zinc/56/23/38/550562338.db2.gz JDPJOLTYMKRPDK-UHFFFAOYSA-N 1 2 357.439 2.116 20 30 FEEDLO N#Cc1ccc(CNC(=O)C[NH+]2CCC(C(=O)C(F)(F)F)CC2)cc1 ZINC000274959914 550567976 /nfs/dbraw/zinc/56/79/76/550567976.db2.gz INHQZTOFOMEFEF-UHFFFAOYSA-N 1 2 353.344 2.018 20 30 FEEDLO C[N@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)Nc2cccc(OCC#N)c2)C1 ZINC000275510691 550572448 /nfs/dbraw/zinc/57/24/48/550572448.db2.gz CMCYONFWCKJSRY-MRXNPFEDSA-N 1 2 366.425 2.117 20 30 FEEDLO C[N@@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)Nc2cccc(OCC#N)c2)C1 ZINC000275510691 550572450 /nfs/dbraw/zinc/57/24/50/550572450.db2.gz CMCYONFWCKJSRY-MRXNPFEDSA-N 1 2 366.425 2.117 20 30 FEEDLO C[N@@H+]1CCO[C@@H](CN(CC2CC2)C(=O)/C=C/c2ccc(OCC#N)cc2)C1 ZINC000276202271 550577400 /nfs/dbraw/zinc/57/74/00/550577400.db2.gz CRGPGMQCYYLFEK-AQDCRGGLSA-N 1 2 369.465 2.171 20 30 FEEDLO C[N@H+]1CCO[C@@H](CN(CC2CC2)C(=O)/C=C/c2ccc(OCC#N)cc2)C1 ZINC000276202271 550577401 /nfs/dbraw/zinc/57/74/01/550577401.db2.gz CRGPGMQCYYLFEK-AQDCRGGLSA-N 1 2 369.465 2.171 20 30 FEEDLO N#Cc1ncccc1S(=O)(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000276973702 550617109 /nfs/dbraw/zinc/61/71/09/550617109.db2.gz GCLGCJZOINFGPZ-HNNXBMFYSA-N 1 2 360.439 2.052 20 30 FEEDLO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CC[C@H](C)[S@](=O)CC2)c(OC)c1 ZINC000277205939 550643237 /nfs/dbraw/zinc/64/32/37/550643237.db2.gz MYPZTGPYIORLBO-KBUMFOBPSA-N 1 2 367.511 2.006 20 30 FEEDLO C=CCc1ccc(OC[C@H](O)C[N@H+]2CC[C@H](C)[S@](=O)CC2)c(OC)c1 ZINC000277205939 550643240 /nfs/dbraw/zinc/64/32/40/550643240.db2.gz MYPZTGPYIORLBO-KBUMFOBPSA-N 1 2 367.511 2.006 20 30 FEEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000278242457 550764470 /nfs/dbraw/zinc/76/44/70/550764470.db2.gz LPZWFUWFWBLMKD-HLLBOEOZSA-N 1 2 350.484 2.219 20 30 FEEDLO N#Cc1ccc(CNC(=O)C[N@H+]2CCC[C@@H](Oc3ncccc3F)C2)cc1 ZINC000278874394 550831287 /nfs/dbraw/zinc/83/12/87/550831287.db2.gz OMYFPMUIKWCHRL-QGZVFWFLSA-N 1 2 368.412 2.252 20 30 FEEDLO N#Cc1ccc(CNC(=O)C[N@@H+]2CCC[C@@H](Oc3ncccc3F)C2)cc1 ZINC000278874394 550831289 /nfs/dbraw/zinc/83/12/89/550831289.db2.gz OMYFPMUIKWCHRL-QGZVFWFLSA-N 1 2 368.412 2.252 20 30 FEEDLO CO[C@@]1(C)CCC[N@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000279395198 550885062 /nfs/dbraw/zinc/88/50/62/550885062.db2.gz URKCLXMCZOZKCQ-KUHUBIRLSA-N 1 2 354.410 2.013 20 30 FEEDLO CO[C@@]1(C)CCC[N@@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000279395198 550885063 /nfs/dbraw/zinc/88/50/63/550885063.db2.gz URKCLXMCZOZKCQ-KUHUBIRLSA-N 1 2 354.410 2.013 20 30 FEEDLO C[C@H]1OCC[C@@]12C[N@H+](CC(=O)N(CCC#N)c1ccccc1)C[C@@H](C)O2 ZINC000279912267 550942137 /nfs/dbraw/zinc/94/21/37/550942137.db2.gz VSEFOYBOOYRDKM-MBOZVWFJSA-N 1 2 357.454 2.202 20 30 FEEDLO C[C@H]1OCC[C@@]12C[N@@H+](CC(=O)N(CCC#N)c1ccccc1)C[C@@H](C)O2 ZINC000279912267 550942139 /nfs/dbraw/zinc/94/21/39/550942139.db2.gz VSEFOYBOOYRDKM-MBOZVWFJSA-N 1 2 357.454 2.202 20 30 FEEDLO C[C@@H]1OCC[C@]12C[N@H+](CC(=O)N(CCC#N)c1ccccc1)C[C@@H](C)O2 ZINC000279912271 550942187 /nfs/dbraw/zinc/94/21/87/550942187.db2.gz VSEFOYBOOYRDKM-UWVAXJGDSA-N 1 2 357.454 2.202 20 30 FEEDLO C[C@@H]1OCC[C@]12C[N@@H+](CC(=O)N(CCC#N)c1ccccc1)C[C@@H](C)O2 ZINC000279912271 550942188 /nfs/dbraw/zinc/94/21/88/550942188.db2.gz VSEFOYBOOYRDKM-UWVAXJGDSA-N 1 2 357.454 2.202 20 30 FEEDLO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCO[C@@]3(CCO[C@@H]3C)C2)cc1C ZINC000280600624 551012122 /nfs/dbraw/zinc/01/21/22/551012122.db2.gz XDVGHBOJLFNCGU-NQIIRXRSSA-N 1 2 371.481 2.430 20 30 FEEDLO Cc1ccc(N(CCC#N)C(=O)C[N@H+]2CCO[C@@]3(CCO[C@@H]3C)C2)cc1C ZINC000280600624 551012123 /nfs/dbraw/zinc/01/21/23/551012123.db2.gz XDVGHBOJLFNCGU-NQIIRXRSSA-N 1 2 371.481 2.430 20 30 FEEDLO N#CCc1cccc(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)c1 ZINC000280662031 551018677 /nfs/dbraw/zinc/01/86/77/551018677.db2.gz LHFGTJJOCUGNJG-RTWAWAEBSA-N 1 2 361.445 2.478 20 30 FEEDLO N#CCc1cccc(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)c1 ZINC000280662031 551018678 /nfs/dbraw/zinc/01/86/78/551018678.db2.gz LHFGTJJOCUGNJG-RTWAWAEBSA-N 1 2 361.445 2.478 20 30 FEEDLO Cc1oc(C#N)cc1C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000280737444 551027006 /nfs/dbraw/zinc/02/70/06/551027006.db2.gz KTXRBLMTZJHUMB-UHFFFAOYSA-N 1 2 369.421 2.101 20 30 FEEDLO C=CC[C@@H](CC)NC(=O)C(=O)Nc1ccc(C[NH+]2CCN(CC)CC2)cc1 ZINC000281522494 551108441 /nfs/dbraw/zinc/10/84/41/551108441.db2.gz SMBLUSRAIUUWMT-GOSISDBHSA-N 1 2 372.513 2.234 20 30 FEEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000281594345 551118107 /nfs/dbraw/zinc/11/81/07/551118107.db2.gz VRHZYFMJEADRGX-UYAOXDASSA-N 1 2 373.497 2.299 20 30 FEEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000281824484 551145516 /nfs/dbraw/zinc/14/55/16/551145516.db2.gz PJLYKWYTJGFAFD-DOTOQJQBSA-N 1 2 368.437 2.123 20 30 FEEDLO C=CCn1c([C@@H](C)CC)nnc1N1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC000282236883 551199490 /nfs/dbraw/zinc/19/94/90/551199490.db2.gz JUFZZBPCDMFXKV-KRWDZBQOSA-N 1 2 374.533 2.112 20 30 FEEDLO C=CCn1c([C@@H](C)CC)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000282669660 551257785 /nfs/dbraw/zinc/25/77/85/551257785.db2.gz RWHWEBBDQOQQQS-IRXDYDNUSA-N 1 2 374.533 2.111 20 30 FEEDLO C#CC[NH+]1CCN(c2nnc(-c3cccnc3)n2Cc2cccs2)CC1 ZINC000282884541 551281518 /nfs/dbraw/zinc/28/15/18/551281518.db2.gz DUBFGKIAUNDLHB-UHFFFAOYSA-N 1 2 364.478 2.205 20 30 FEEDLO N#Cc1cccc(CNc2ccc(C(=O)NCC[NH+]3CCOCC3)cc2)c1 ZINC000283247899 551336114 /nfs/dbraw/zinc/33/61/14/551336114.db2.gz DJHIEDHSMKDUIE-UHFFFAOYSA-N 1 2 364.449 2.232 20 30 FEEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)CCCCOc3cccc(C#N)c3)C[C@@H]21 ZINC000284021845 551469851 /nfs/dbraw/zinc/46/98/51/551469851.db2.gz JHUWOPCNGRVBMK-RBUKOAKNSA-N 1 2 357.454 2.039 20 30 FEEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)CCCCOc3cccc(C#N)c3)C[C@@H]21 ZINC000284021845 551469854 /nfs/dbraw/zinc/46/98/54/551469854.db2.gz JHUWOPCNGRVBMK-RBUKOAKNSA-N 1 2 357.454 2.039 20 30 FEEDLO C=CCC[C@H](O)CN1CCN(C(=O)OC(C)(C)C)C[C@H]1c1[nH+]ccn1C ZINC000284344730 551529033 /nfs/dbraw/zinc/52/90/33/551529033.db2.gz CLCJXQVSODHQML-HOTGVXAUSA-N 1 2 364.490 2.341 20 30 FEEDLO NC(=[NH+]OCc1nc(-c2cccc(Br)c2)no1)[C@H]1CCCO1 ZINC000284452969 551552190 /nfs/dbraw/zinc/55/21/90/551552190.db2.gz QCTGPOJKNWPWMP-LLVKDONJSA-N 1 2 367.203 2.467 20 30 FEEDLO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(c3ccc(C#N)nc3)C2)CC1 ZINC000286339343 551876212 /nfs/dbraw/zinc/87/62/12/551876212.db2.gz JPQFIJKRQJWEAU-QGZVFWFLSA-N 1 2 357.458 2.085 20 30 FEEDLO N#CCCN(C(=O)C[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](CO)C1)c1ccccc1 ZINC000286403392 551883631 /nfs/dbraw/zinc/88/36/31/551883631.db2.gz HOESWLRHERQJFQ-GOEBONIOSA-N 1 2 369.387 2.426 20 30 FEEDLO N#CCCN(C(=O)C[N@H+]1CC[C@@H](C(F)(F)F)[C@H](CO)C1)c1ccccc1 ZINC000286403392 551883633 /nfs/dbraw/zinc/88/36/33/551883633.db2.gz HOESWLRHERQJFQ-GOEBONIOSA-N 1 2 369.387 2.426 20 30 FEEDLO C[C@H](C#N)Oc1ccccc1NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000287099030 551963229 /nfs/dbraw/zinc/96/32/29/551963229.db2.gz KRIUIKHXFMZNDJ-ARFHVFGLSA-N 1 2 358.442 2.304 20 30 FEEDLO COC(OC)c1ccc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)o1 ZINC000287301421 551986962 /nfs/dbraw/zinc/98/69/62/551986962.db2.gz NINJDVDMMHLKPH-UHFFFAOYSA-N 1 2 369.421 2.401 20 30 FEEDLO C=CCCCNC(=O)C(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000288516238 552167142 /nfs/dbraw/zinc/16/71/42/552167142.db2.gz GBBJYHPDMFZWCR-UHFFFAOYSA-N 1 2 354.454 2.215 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)NC[C@@H](c2ccccc2)C(C)C)C1=O ZINC000499994863 561563611 /nfs/dbraw/zinc/56/36/11/561563611.db2.gz HYWINSOUJPXNEM-MOPGFXCFSA-N 1 2 357.498 2.261 20 30 FEEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)NC[C@@H](c2ccccc2)C(C)C)C1=O ZINC000499994863 561563612 /nfs/dbraw/zinc/56/36/12/561563612.db2.gz HYWINSOUJPXNEM-MOPGFXCFSA-N 1 2 357.498 2.261 20 30 FEEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)N2CCC(Cc3ccccc3)CC2)C1=O ZINC000499992073 561563663 /nfs/dbraw/zinc/56/36/63/561563663.db2.gz UKMJDVBULMNTPK-HXUWFJFHSA-N 1 2 369.509 2.186 20 30 FEEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)N2CCC(Cc3ccccc3)CC2)C1=O ZINC000499992073 561563664 /nfs/dbraw/zinc/56/36/64/561563664.db2.gz UKMJDVBULMNTPK-HXUWFJFHSA-N 1 2 369.509 2.186 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@@H](n3cc(Cl)cn3)C2)cc1 ZINC000289922600 552400056 /nfs/dbraw/zinc/40/00/56/552400056.db2.gz ORBFCRPLKLLXGI-OAHLLOKOSA-N 1 2 364.858 2.129 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@@H](n3cc(Cl)cn3)C2)cc1 ZINC000289922600 552400058 /nfs/dbraw/zinc/40/00/58/552400058.db2.gz ORBFCRPLKLLXGI-OAHLLOKOSA-N 1 2 364.858 2.129 20 30 FEEDLO CC[NH+](CC)CCOc1ccccc1NS(=O)(=O)c1cncc(C#N)c1 ZINC000290892923 552556761 /nfs/dbraw/zinc/55/67/61/552556761.db2.gz DCSBLIFCQRFIRW-UHFFFAOYSA-N 1 2 374.466 2.475 20 30 FEEDLO CO[C@](C)(CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CC1 ZINC000291524538 552634004 /nfs/dbraw/zinc/63/40/04/552634004.db2.gz PIEXUAGZNBTEBW-HXUWFJFHSA-N 1 2 356.470 2.201 20 30 FEEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+]([C@H]3CCN(c4ccccc4F)C3=O)C2)nc1 ZINC000292121783 552696147 /nfs/dbraw/zinc/69/61/47/552696147.db2.gz IBAYOMMWPXLMEK-QAPCUYQASA-N 1 2 366.396 2.351 20 30 FEEDLO N#Cc1ccc(O[C@@H]2CC[N@H+]([C@H]3CCN(c4ccccc4F)C3=O)C2)nc1 ZINC000292121783 552696148 /nfs/dbraw/zinc/69/61/48/552696148.db2.gz IBAYOMMWPXLMEK-QAPCUYQASA-N 1 2 366.396 2.351 20 30 FEEDLO Cn1cc(Br)c(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000292487270 552731259 /nfs/dbraw/zinc/73/12/59/552731259.db2.gz AYFYNAWCKOLERK-UHFFFAOYSA-N 1 2 374.286 2.372 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1cnc2c(F)ccc(F)c2c1 ZINC000293299810 552809155 /nfs/dbraw/zinc/80/91/55/552809155.db2.gz DSOGKMLJSDDJDF-UHFFFAOYSA-N 1 2 374.391 2.201 20 30 FEEDLO C=CC[N@@H+](Cc1ccccc1N1CCO[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000294142952 552885387 /nfs/dbraw/zinc/88/53/87/552885387.db2.gz GQGVJTCZYJSJKI-AEFFLSMTSA-N 1 2 364.511 2.087 20 30 FEEDLO C=CC[N@H+](Cc1ccccc1N1CCO[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000294142952 552885388 /nfs/dbraw/zinc/88/53/88/552885388.db2.gz GQGVJTCZYJSJKI-AEFFLSMTSA-N 1 2 364.511 2.087 20 30 FEEDLO C[C@@H](NC(=O)c1ccc(Br)cc1C#N)[C@H](C)[NH+]1CCOCC1 ZINC000294585263 552917900 /nfs/dbraw/zinc/91/79/00/552917900.db2.gz MSDFRZFQKDGSBF-NEPJUHHUSA-N 1 2 366.259 2.160 20 30 FEEDLO C#CC[C@]1(C(=O)NCc2c[nH+]ccc2OC)CCCN1C(=O)OC(C)(C)C ZINC000294701246 552927913 /nfs/dbraw/zinc/92/79/13/552927913.db2.gz VFVJXICCDSDZKQ-HXUWFJFHSA-N 1 2 373.453 2.499 20 30 FEEDLO N#Cc1cc(Br)cnc1N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000295035672 552953075 /nfs/dbraw/zinc/95/30/75/552953075.db2.gz NJUBKKNIZYILFM-AWEZNQCLSA-N 1 2 351.248 2.017 20 30 FEEDLO Cn1cc[nH+]c1[C@H]1N(S(=O)(=O)Cc2ccc(F)cc2C#N)CC1(C)C ZINC000295193419 552968409 /nfs/dbraw/zinc/96/84/09/552968409.db2.gz DJYYFPNCUNDCJZ-OAHLLOKOSA-N 1 2 362.430 2.344 20 30 FEEDLO CCn1cc[nH+]c1CNS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000295456111 553009723 /nfs/dbraw/zinc/00/97/23/553009723.db2.gz KXNLMSDRCMHIII-UHFFFAOYSA-N 1 2 358.345 2.272 20 30 FEEDLO CCOC(=O)C1([S@](C)=O)CC[NH+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000295573105 553027233 /nfs/dbraw/zinc/02/72/33/553027233.db2.gz LPAIESKIVZZOSZ-DEOSSOPVSA-N 1 2 367.898 2.468 20 30 FEEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+](C)C(C)(C)C(N)=O)c1C#N ZINC000295749351 553054108 /nfs/dbraw/zinc/05/41/08/553054108.db2.gz QPSBNOLXTMNXQY-UHFFFAOYSA-N 1 2 367.453 2.100 20 30 FEEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+](C)C(C)(C)C(N)=O)c1C#N ZINC000295749351 553054109 /nfs/dbraw/zinc/05/41/09/553054109.db2.gz QPSBNOLXTMNXQY-UHFFFAOYSA-N 1 2 367.453 2.100 20 30 FEEDLO Cn1cc[nH+]c1[C@H]1N(C(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)CC1(C)C ZINC000296101672 553104721 /nfs/dbraw/zinc/10/47/21/553104721.db2.gz LJNWGKZEWXPJLL-CQSZACIVSA-N 1 2 371.828 2.493 20 30 FEEDLO C[N@@H+]1CCO[C@@H]([C@@H](NC(=O)c2cc(C#N)ccn2)c2ccc(Cl)cc2)C1 ZINC000502861982 561628054 /nfs/dbraw/zinc/62/80/54/561628054.db2.gz NNZWCBPWBKTXGA-MSOLQXFVSA-N 1 2 370.840 2.408 20 30 FEEDLO C[N@H+]1CCO[C@@H]([C@@H](NC(=O)c2cc(C#N)ccn2)c2ccc(Cl)cc2)C1 ZINC000502861982 561628055 /nfs/dbraw/zinc/62/80/55/561628055.db2.gz NNZWCBPWBKTXGA-MSOLQXFVSA-N 1 2 370.840 2.408 20 30 FEEDLO CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000503422688 561641022 /nfs/dbraw/zinc/64/10/22/561641022.db2.gz RBOOCAKNJGKETD-KXBFYZLASA-N 1 2 359.426 2.323 20 30 FEEDLO COc1ccc(C(N)=[NH+]OCC(=O)N[C@H](C)c2ccccc2)cc1OC ZINC000298756589 553468948 /nfs/dbraw/zinc/46/89/48/553468948.db2.gz OULSYUJRLHOJAP-CYBMUJFWSA-N 1 2 357.410 2.218 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Cc1ccc(C(F)(F)F)cc1 ZINC000299547385 553579367 /nfs/dbraw/zinc/57/93/67/553579367.db2.gz RVZHIQDCTCWPTR-UHFFFAOYSA-N 1 2 369.387 2.322 20 30 FEEDLO N#Cc1ccc(NCC(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)cc1 ZINC000504208630 561654512 /nfs/dbraw/zinc/65/45/12/561654512.db2.gz XUOUDKATPXETOS-UHFFFAOYSA-N 1 2 352.413 2.454 20 30 FEEDLO N#Cc1c(F)cccc1NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000301178060 553628862 /nfs/dbraw/zinc/62/88/62/553628862.db2.gz ZUFNCVARPZLWFR-UHFFFAOYSA-N 1 2 353.401 2.243 20 30 FEEDLO O=C(C[C@H]1CCCS(=O)(=O)C1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000328684788 553806832 /nfs/dbraw/zinc/80/68/32/553806832.db2.gz FGIFSBFOPXKUGL-MRXNPFEDSA-N 1 2 372.531 2.193 20 30 FEEDLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)N[C@@H]2CCCC23CCOCC3)CC1 ZINC000328694969 553808458 /nfs/dbraw/zinc/80/84/58/553808458.db2.gz GGBIMHNJURJWHH-CQSZACIVSA-N 1 2 352.479 2.181 20 30 FEEDLO CC(C)(C(=O)NCc1ccc([C@]2(C)NC(=O)NC2=O)cc1)[NH+]1CCOCC1 ZINC000328699865 553809235 /nfs/dbraw/zinc/80/92/35/553809235.db2.gz VWFPXVFCFKRBBK-IBGZPJMESA-N 1 2 374.441 2.353 20 30 FEEDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)NCC(=O)N2CCCC2)C[C@H](C)O1 ZINC000328768477 553819045 /nfs/dbraw/zinc/81/90/45/553819045.db2.gz BRPAYWVHDSXJCA-IYBDPMFKSA-N 1 2 374.485 2.244 20 30 FEEDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)NCC(=O)N2CCCC2)C[C@H](C)O1 ZINC000328768477 553819048 /nfs/dbraw/zinc/81/90/48/553819048.db2.gz BRPAYWVHDSXJCA-IYBDPMFKSA-N 1 2 374.485 2.244 20 30 FEEDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NCC(=O)N2CCCC2)C[C@@H](C)O1 ZINC000328768475 553819252 /nfs/dbraw/zinc/81/92/52/553819252.db2.gz BRPAYWVHDSXJCA-HZPDHXFCSA-N 1 2 374.485 2.244 20 30 FEEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)[C@H]2CCCN(C(=O)NC3CCCC3)C2)C1 ZINC000328804289 553824505 /nfs/dbraw/zinc/82/45/05/553824505.db2.gz HGYLGKTUYRNYJT-CVEARBPZSA-N 1 2 373.501 2.305 20 30 FEEDLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)CC1 ZINC000328841795 553831096 /nfs/dbraw/zinc/83/10/96/553831096.db2.gz OYCSSFYBWLJEED-ZNMIVQPWSA-N 1 2 364.490 2.180 20 30 FEEDLO COCCC1(CNC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)CCCCC1 ZINC000328884493 553838518 /nfs/dbraw/zinc/83/85/18/553838518.db2.gz NWCSXBVLLAJVSK-SJORKVTESA-N 1 2 353.507 2.292 20 30 FEEDLO COCCC1(CNC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)CCCCC1 ZINC000328884493 553838522 /nfs/dbraw/zinc/83/85/22/553838522.db2.gz NWCSXBVLLAJVSK-SJORKVTESA-N 1 2 353.507 2.292 20 30 FEEDLO CC(C)N1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC1=O ZINC000505901257 561684627 /nfs/dbraw/zinc/68/46/27/561684627.db2.gz OSRPCVXQMOOZPK-UHFFFAOYSA-N 1 2 374.510 2.380 20 30 FEEDLO CC(C)N1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC1=O ZINC000505901257 561684628 /nfs/dbraw/zinc/68/46/28/561684628.db2.gz OSRPCVXQMOOZPK-UHFFFAOYSA-N 1 2 374.510 2.380 20 30 FEEDLO CN(C(=O)N[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C)C1CCCC1 ZINC000328958546 553852583 /nfs/dbraw/zinc/85/25/83/553852583.db2.gz OLXDJDBUMOMMTC-CRAIPNDOSA-N 1 2 359.474 2.403 20 30 FEEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)N[C@H](C[C@@H]3CCOC3)c3ccccc3)C[C@H]21 ZINC000328972427 553856100 /nfs/dbraw/zinc/85/61/00/553856100.db2.gz BUJGYJFOBMQVRL-MTFMMBMASA-N 1 2 373.497 2.473 20 30 FEEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)N[C@H](C[C@@H]3CCOC3)c3ccccc3)C[C@H]21 ZINC000328972427 553856102 /nfs/dbraw/zinc/85/61/02/553856102.db2.gz BUJGYJFOBMQVRL-MTFMMBMASA-N 1 2 373.497 2.473 20 30 FEEDLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)N[C@H]1CCO[C@@H]1c1cccnc1 ZINC000328995531 553861035 /nfs/dbraw/zinc/86/10/35/553861035.db2.gz GLLSMHUAVMCKBB-XYJFISCASA-N 1 2 353.426 2.089 20 30 FEEDLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000329002458 553861887 /nfs/dbraw/zinc/86/18/87/553861887.db2.gz WGIWIODBVHQFTJ-JHJVBQTASA-N 1 2 370.375 2.274 20 30 FEEDLO C[C@@H]1COCCN1C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000329057687 553872808 /nfs/dbraw/zinc/87/28/08/553872808.db2.gz SZVUIWCZJDULRY-KBRIMQKVSA-N 1 2 367.877 2.346 20 30 FEEDLO C[C@@H]1COCCN1C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000329057687 553872810 /nfs/dbraw/zinc/87/28/10/553872810.db2.gz SZVUIWCZJDULRY-KBRIMQKVSA-N 1 2 367.877 2.346 20 30 FEEDLO Cc1cn2c([nH+]1)[C@H](CNS(=O)(=O)Cc1cc(C#N)ccc1F)CCC2 ZINC000329110745 553882235 /nfs/dbraw/zinc/88/22/35/553882235.db2.gz GMUUWYAJBHPSCU-AWEZNQCLSA-N 1 2 362.430 2.199 20 30 FEEDLO CCN(CC)C(=O)CN1CC[NH+](Cc2cccc(OCCCC#N)c2)CC1 ZINC000506165463 561692267 /nfs/dbraw/zinc/69/22/67/561692267.db2.gz VLZFAFVYTFRDPE-UHFFFAOYSA-N 1 2 372.513 2.355 20 30 FEEDLO CCN(CC)C(=O)C[NH+]1CCN(Cc2cccc(OCCCC#N)c2)CC1 ZINC000506165463 561692269 /nfs/dbraw/zinc/69/22/69/561692269.db2.gz VLZFAFVYTFRDPE-UHFFFAOYSA-N 1 2 372.513 2.355 20 30 FEEDLO C[C@H](NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1)c1ccc(F)cc1 ZINC000329157022 553891589 /nfs/dbraw/zinc/89/15/89/553891589.db2.gz CZTPUROBWDNUDM-LMRQPLJMSA-N 1 2 354.447 2.351 20 30 FEEDLO C[C@H](NC(=O)[C@H](C)[N@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1)c1ccc(F)cc1 ZINC000329157022 553891591 /nfs/dbraw/zinc/89/15/91/553891591.db2.gz CZTPUROBWDNUDM-LMRQPLJMSA-N 1 2 354.447 2.351 20 30 FEEDLO O=C(N[C@@H]1CC(=O)N(C2CC2)[C@H]1c1cccnc1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000329190544 553898764 /nfs/dbraw/zinc/89/87/64/553898764.db2.gz QCALCNFMKKVGPH-NRXGSXMXSA-N 1 2 365.437 2.302 20 30 FEEDLO O=C(N[C@H]1CCN(C(=O)C2CCCCC2)C1)C1([NH+]2CCOCC2)CCC1 ZINC000329326422 553925636 /nfs/dbraw/zinc/92/56/36/553925636.db2.gz JHSZTDBXPTVVLZ-KRWDZBQOSA-N 1 2 363.502 2.379 20 30 FEEDLO Cc1nc2n(n1)C[C@H]([NH+]=C([O-])N1CCC(c3ccc(C)[nH+]c3)CC1)CC2 ZINC000329331721 553926375 /nfs/dbraw/zinc/92/63/75/553926375.db2.gz MOHBKICEXGKKLR-QGZVFWFLSA-N 1 2 354.458 2.398 20 30 FEEDLO CCn1cc[nH+]c1[C@H](NC(=O)N1CCC[C@@](C)(O)C1)C1CCOCC1 ZINC000329345804 553929588 /nfs/dbraw/zinc/92/95/88/553929588.db2.gz RBFGVWMVUGZXBI-CRAIPNDOSA-N 1 2 350.463 2.132 20 30 FEEDLO O=C(N[C@@H]1CCCN(c2cccnc2)C1=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000329508583 553959662 /nfs/dbraw/zinc/95/96/62/553959662.db2.gz HZEBSRPZCFIMIA-GOEBONIOSA-N 1 2 368.441 2.094 20 30 FEEDLO C[C@H](c1cccc(NC(=O)N2C[C@@H]3CC[C@H](O)[C@H]3C2)c1)[NH+]1CCOCC1 ZINC000329579658 553971493 /nfs/dbraw/zinc/97/14/93/553971493.db2.gz UJRYIMDQWQYULL-XIVBQZFQSA-N 1 2 359.470 2.328 20 30 FEEDLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)c1cccc2nccnc21 ZINC000329693672 553990035 /nfs/dbraw/zinc/99/00/35/553990035.db2.gz WUHQYKMPRAMUCE-GOSISDBHSA-N 1 2 358.467 2.142 20 30 FEEDLO Cc1[nH+]c2ccccc2n1CCNS(=O)(=O)Cc1cccc(C#N)c1 ZINC000507395285 561727890 /nfs/dbraw/zinc/72/78/90/561727890.db2.gz YOVDRBGJBBAALM-UHFFFAOYSA-N 1 2 354.435 2.336 20 30 FEEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)NC[C@@H]2CCCCS2)CC1 ZINC000329757131 554000863 /nfs/dbraw/zinc/00/08/63/554000863.db2.gz MSHCPWMXUCXSBJ-HIFRSBDPSA-N 1 2 354.520 2.311 20 30 FEEDLO Cc1ccc([C@H](CNC(=O)N2C[C@H]3CC[C@@H](C2)O3)[NH+]2CCOCC2)cc1 ZINC000329779956 554004924 /nfs/dbraw/zinc/00/49/24/554004924.db2.gz RKXRLBJHYYHJOK-OTWHNJEPSA-N 1 2 359.470 2.146 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)N2CC[NH+]([C@@H]3C[C@@H]3c3ccccc3)CC2)cc1 ZINC000329789984 554007074 /nfs/dbraw/zinc/00/70/74/554007074.db2.gz CLVDCXDMQMAJCT-WOJBJXKFSA-N 1 2 367.474 2.421 20 30 FEEDLO COCCn1cc2c(n1)[C@H](NC(=O)NCc1cn3c([nH+]1)CCCC3)CCC2 ZINC000329825635 554013276 /nfs/dbraw/zinc/01/32/76/554013276.db2.gz IFNQVWBAWRUGDR-MRXNPFEDSA-N 1 2 372.473 2.144 20 30 FEEDLO Cc1ccc2c(c1C)OC[C@@H]2NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000329823144 554013293 /nfs/dbraw/zinc/01/32/93/554013293.db2.gz ZJCWFFTZXJCJTG-WMZOPIPTSA-N 1 2 359.470 2.448 20 30 FEEDLO Cc1ccc(-n2cc(NC(=O)N3C[C@H]4OCC[N@@H+](C)[C@@H]4C3)cn2)c(C)c1 ZINC000329840595 554016313 /nfs/dbraw/zinc/01/63/13/554016313.db2.gz OFQCJGOOQZDDLE-QZTJIDSGSA-N 1 2 355.442 2.049 20 30 FEEDLO Cc1ccc(-n2cc(NC(=O)N3C[C@H]4OCC[N@H+](C)[C@@H]4C3)cn2)c(C)c1 ZINC000329840595 554016315 /nfs/dbraw/zinc/01/63/15/554016315.db2.gz OFQCJGOOQZDDLE-QZTJIDSGSA-N 1 2 355.442 2.049 20 30 FEEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)C[C@@H]21 ZINC000329918447 554031557 /nfs/dbraw/zinc/03/15/57/554031557.db2.gz FXONYTNZVMUTIU-KBPBESRZSA-N 1 2 354.332 2.137 20 30 FEEDLO C[N@H+]1CCO[C@H]2CN(C(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)C[C@@H]21 ZINC000329918447 554031558 /nfs/dbraw/zinc/03/15/58/554031558.db2.gz FXONYTNZVMUTIU-KBPBESRZSA-N 1 2 354.332 2.137 20 30 FEEDLO Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000329924911 554033155 /nfs/dbraw/zinc/03/31/55/554033155.db2.gz JMDDDYKADVHFSB-QYZOEREBSA-N 1 2 373.497 2.256 20 30 FEEDLO Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000329924911 554033157 /nfs/dbraw/zinc/03/31/57/554033157.db2.gz JMDDDYKADVHFSB-QYZOEREBSA-N 1 2 373.497 2.256 20 30 FEEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)Nc3ccc(-n4cccn4)c(Cl)c3)C[C@H]21 ZINC000329928325 554033472 /nfs/dbraw/zinc/03/34/72/554033472.db2.gz MGKIDIQMICHDCZ-HZPDHXFCSA-N 1 2 361.833 2.086 20 30 FEEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)Nc3ccc(-n4cccn4)c(Cl)c3)C[C@H]21 ZINC000329928325 554033476 /nfs/dbraw/zinc/03/34/76/554033476.db2.gz MGKIDIQMICHDCZ-HZPDHXFCSA-N 1 2 361.833 2.086 20 30 FEEDLO CCN1CCN(CC(=O)Nc2nc3c(s2)CCC3)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329960301 554039372 /nfs/dbraw/zinc/03/93/72/554039372.db2.gz RMWYMHMJDYJIOD-CYBMUJFWSA-N 1 2 360.487 2.322 20 30 FEEDLO CCO[C@@H]1C[C@H](NC(=O)C2([NH+]3CCOCC3)CCC2)C12CCOCC2 ZINC000329969365 554040923 /nfs/dbraw/zinc/04/09/23/554040923.db2.gz UMQGXETYMAAMMN-JKSUJKDBSA-N 1 2 352.475 2.172 20 30 FEEDLO Cc1cc(CN2C[C@@H](F)C[C@H]2CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)on1 ZINC000329988783 554045220 /nfs/dbraw/zinc/04/52/20/554045220.db2.gz UQYLSQNPPRDUEG-YCPHGPKFSA-N 1 2 361.421 2.311 20 30 FEEDLO CCN1CCN(C(=O)Nc2cccnc2N2CCCC2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000330064262 554058073 /nfs/dbraw/zinc/05/80/73/554058073.db2.gz QXQTTXLYIXPBDX-MRXNPFEDSA-N 1 2 369.473 2.329 20 30 FEEDLO O=C(C[NH+]1CCC(N2CCCCC2=O)CC1)Nc1ccc2c(c1)OCO2 ZINC000330079375 554060967 /nfs/dbraw/zinc/06/09/67/554060967.db2.gz FZVYTJCLRKYMNY-UHFFFAOYSA-N 1 2 359.426 2.480 20 30 FEEDLO C[C@@H]1C[N@H+](CC(=O)NCCc2c(F)cccc2F)C[C@]2(CCOC2)O1 ZINC000330150785 554074578 /nfs/dbraw/zinc/07/45/78/554074578.db2.gz LAZFCFAZTCOITE-ACJLOTCBSA-N 1 2 354.397 2.344 20 30 FEEDLO C[C@@H]1C[N@@H+](CC(=O)NCCc2c(F)cccc2F)C[C@]2(CCOC2)O1 ZINC000330150785 554074582 /nfs/dbraw/zinc/07/45/82/554074582.db2.gz LAZFCFAZTCOITE-ACJLOTCBSA-N 1 2 354.397 2.344 20 30 FEEDLO Cc1ccc([C@@H](CNC(=O)N2CC[C@H](O)C[C@@H]2C)[NH+]2CCOCC2)s1 ZINC000330199546 554084019 /nfs/dbraw/zinc/08/40/19/554084019.db2.gz VOTCHCBARYZQEQ-CWRNSKLLSA-N 1 2 367.515 2.189 20 30 FEEDLO O=C(NCC[NH+]1CCN(C(=O)C2CCC2)CC1)c1cc2sccc2[nH]1 ZINC000330232946 554089714 /nfs/dbraw/zinc/08/97/14/554089714.db2.gz FSJNRSJGHKFMQX-UHFFFAOYSA-N 1 2 360.483 2.478 20 30 FEEDLO O=C(Nc1nccn1-c1ccccc1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000330236105 554090586 /nfs/dbraw/zinc/09/05/86/554090586.db2.gz HDGGIIFQELJLAX-QGZVFWFLSA-N 1 2 355.442 2.214 20 30 FEEDLO Cn1cc[nH+]c1[C@@H]1CN(C(=O)N[C@@H]2CSc3ccccc32)CCN1C ZINC000330282427 554099229 /nfs/dbraw/zinc/09/92/29/554099229.db2.gz APEYDHYBFXGFAB-CABCVRRESA-N 1 2 357.483 2.470 20 30 FEEDLO Cn1cc[nH+]c1[C@@H]1CN(C(=O)CCNC(=O)C2CCCCC2)CCN1C ZINC000330318611 554104621 /nfs/dbraw/zinc/10/46/21/554104621.db2.gz CMYDGMIZKVQWTH-INIZCTEOSA-N 1 2 361.490 2.162 20 30 FEEDLO Cc1nc(C[N@H+]2CCCN(C(=O)N[C@@H]3CCOC[C@@H]3C)CC2)cs1 ZINC000330339283 554107689 /nfs/dbraw/zinc/10/76/89/554107689.db2.gz WMQVTQIHJMRPMT-XJKSGUPXSA-N 1 2 352.504 2.298 20 30 FEEDLO Cc1nc(C[N@@H+]2CCCN(C(=O)N[C@@H]3CCOC[C@@H]3C)CC2)cs1 ZINC000330339283 554107691 /nfs/dbraw/zinc/10/76/91/554107691.db2.gz WMQVTQIHJMRPMT-XJKSGUPXSA-N 1 2 352.504 2.298 20 30 FEEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)c1cc(NC(=O)N(C)C)ccc1Cl ZINC000330399822 554116991 /nfs/dbraw/zinc/11/69/91/554116991.db2.gz IZBTUJVGDUDOSE-LBPRGKRZSA-N 1 2 368.865 2.472 20 30 FEEDLO C[C@H]1COCC[N@H+]1CCNC(=O)c1cc(NC(=O)N(C)C)ccc1Cl ZINC000330399822 554116993 /nfs/dbraw/zinc/11/69/93/554116993.db2.gz IZBTUJVGDUDOSE-LBPRGKRZSA-N 1 2 368.865 2.472 20 30 FEEDLO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)c2ccc(CC#N)cc2)CC1 ZINC000330487265 554128084 /nfs/dbraw/zinc/12/80/84/554128084.db2.gz GSEXRJMVANHGOA-UHFFFAOYSA-N 1 2 351.454 2.061 20 30 FEEDLO C[N@@H+](Cc1ccc(C#N)cc1Br)C[C@H]1CCS(=O)(=O)C1 ZINC000330738524 554165321 /nfs/dbraw/zinc/16/53/21/554165321.db2.gz NSCYECFEHMQQDZ-GFCCVEGCSA-N 1 2 357.273 2.187 20 30 FEEDLO C[N@H+](Cc1ccc(C#N)cc1Br)C[C@H]1CCS(=O)(=O)C1 ZINC000330738524 554165324 /nfs/dbraw/zinc/16/53/24/554165324.db2.gz NSCYECFEHMQQDZ-GFCCVEGCSA-N 1 2 357.273 2.187 20 30 FEEDLO C=CCN(C)c1nnc(CN2CC[NH+](Cc3ccccc3Cl)CC2)n1C ZINC000508612759 561767510 /nfs/dbraw/zinc/76/75/10/561767510.db2.gz XEAMDDBBUKHELB-UHFFFAOYSA-N 1 2 374.920 2.409 20 30 FEEDLO CC(C)(C)[C@H]1CC[N@H+](CCS(=O)(=O)c2cccc(C#N)c2)C[C@H]1O ZINC000330872219 554181238 /nfs/dbraw/zinc/18/12/38/554181238.db2.gz UQTLIOMVVGVCSP-DLBZAZTESA-N 1 2 350.484 2.061 20 30 FEEDLO CC(C)(C)[C@H]1CC[N@@H+](CCS(=O)(=O)c2cccc(C#N)c2)C[C@H]1O ZINC000330872219 554181241 /nfs/dbraw/zinc/18/12/41/554181241.db2.gz UQTLIOMVVGVCSP-DLBZAZTESA-N 1 2 350.484 2.061 20 30 FEEDLO CNC(=O)N[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)C1 ZINC000330942719 554192003 /nfs/dbraw/zinc/19/20/03/554192003.db2.gz GRRZVBNUHPPTHN-QWHCGFSZSA-N 1 2 352.866 2.492 20 30 FEEDLO CNC(=O)N[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)C1 ZINC000330942719 554192006 /nfs/dbraw/zinc/19/20/06/554192006.db2.gz GRRZVBNUHPPTHN-QWHCGFSZSA-N 1 2 352.866 2.492 20 30 FEEDLO C=CCn1c(-c2cc(C)oc2C)nnc1N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000508470293 561762967 /nfs/dbraw/zinc/76/29/67/561762967.db2.gz CBQHONWAFQBPFF-MRXNPFEDSA-N 1 2 357.458 2.252 20 30 FEEDLO C=CCn1c(-c2sccc2C)nnc1N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000508498810 561763739 /nfs/dbraw/zinc/76/37/39/561763739.db2.gz VFAGXLUUQTWZJC-OAHLLOKOSA-N 1 2 359.499 2.412 20 30 FEEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000331308858 554245225 /nfs/dbraw/zinc/24/52/25/554245225.db2.gz XLAWEGWGLYKBEM-RYUDHWBXSA-N 1 2 357.380 2.368 20 30 FEEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000331308858 554245226 /nfs/dbraw/zinc/24/52/26/554245226.db2.gz XLAWEGWGLYKBEM-RYUDHWBXSA-N 1 2 357.380 2.368 20 30 FEEDLO CC(=O)[C@@](C)(O)C[NH+]1CCN(C(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000331341017 554249170 /nfs/dbraw/zinc/24/91/70/554249170.db2.gz SLACHJRIYFYBPV-INIZCTEOSA-N 1 2 373.375 2.209 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCN(c2nc3ccccc3o2)CC1 ZINC000331429222 554262638 /nfs/dbraw/zinc/26/26/38/554262638.db2.gz AQILQIXIVVYNLY-FOIQADDNSA-N 1 2 369.469 2.393 20 30 FEEDLO Cc1cc[nH+]cc1N1CCN(CC(=O)N(C)C2(C#N)CCCCC2)CC1 ZINC000332026108 554365860 /nfs/dbraw/zinc/36/58/60/554365860.db2.gz GVLDTIIGQLVIQI-UHFFFAOYSA-N 1 2 355.486 2.197 20 30 FEEDLO CC(C)(C#N)CNC(=O)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000510638271 561841556 /nfs/dbraw/zinc/84/15/56/561841556.db2.gz LUNIRMSTRNOLAW-UHFFFAOYSA-N 1 2 365.437 2.491 20 30 FEEDLO Cc1nnc([C@@H]2CC[N@@H+]([C@@H](C)C(=O)N(C)C3(C#N)CCC(C)CC3)C2)[nH]1 ZINC000333119860 554575182 /nfs/dbraw/zinc/57/51/82/554575182.db2.gz HZTAIZCEQRZAES-RGUMBQAQSA-N 1 2 358.490 2.222 20 30 FEEDLO Cc1nnc([C@@H]2CC[N@H+]([C@@H](C)C(=O)N(C)C3(C#N)CCC(C)CC3)C2)[nH]1 ZINC000333119860 554575186 /nfs/dbraw/zinc/57/51/86/554575186.db2.gz HZTAIZCEQRZAES-RGUMBQAQSA-N 1 2 358.490 2.222 20 30 FEEDLO Cc1n[nH]c([C@@H]2CC[N@@H+]([C@@H](C)C(=O)N(C)C3(C#N)CCC(C)CC3)C2)n1 ZINC000333119860 554575188 /nfs/dbraw/zinc/57/51/88/554575188.db2.gz HZTAIZCEQRZAES-RGUMBQAQSA-N 1 2 358.490 2.222 20 30 FEEDLO Cc1n[nH]c([C@@H]2CC[N@H+]([C@@H](C)C(=O)N(C)C3(C#N)CCC(C)CC3)C2)n1 ZINC000333119860 554575191 /nfs/dbraw/zinc/57/51/91/554575191.db2.gz HZTAIZCEQRZAES-RGUMBQAQSA-N 1 2 358.490 2.222 20 30 FEEDLO Cc1nc([C@@H]2CC[N@@H+]([C@@H](C)C(=O)N(C)C3(C#N)CCC(C)CC3)C2)n[nH]1 ZINC000333119860 554575194 /nfs/dbraw/zinc/57/51/94/554575194.db2.gz HZTAIZCEQRZAES-RGUMBQAQSA-N 1 2 358.490 2.222 20 30 FEEDLO Cc1nc([C@@H]2CC[N@H+]([C@@H](C)C(=O)N(C)C3(C#N)CCC(C)CC3)C2)n[nH]1 ZINC000333119860 554575198 /nfs/dbraw/zinc/57/51/98/554575198.db2.gz HZTAIZCEQRZAES-RGUMBQAQSA-N 1 2 358.490 2.222 20 30 FEEDLO Cn1nccc1[C@@H]1CCC[N@@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000333156661 554581005 /nfs/dbraw/zinc/58/10/05/554581005.db2.gz MRBLCPIDDWVVSN-GDBMZVCRSA-N 1 2 355.467 2.338 20 30 FEEDLO Cn1nccc1[C@@H]1CCC[N@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000333156661 554581008 /nfs/dbraw/zinc/58/10/08/554581008.db2.gz MRBLCPIDDWVVSN-GDBMZVCRSA-N 1 2 355.467 2.338 20 30 FEEDLO C[C@H](C(=O)N(C)C[C@H]1COc2ccccc2O1)[NH+]1CCC(F)(C#N)CC1 ZINC000510939072 561851548 /nfs/dbraw/zinc/85/15/48/561851548.db2.gz VZBXFCMBKSTZOI-CABCVRRESA-N 1 2 361.417 2.001 20 30 FEEDLO Cc1cc(Cl)ccc1C[NH+]1CCN(CC(=O)NC2(C#N)CCC2)CC1 ZINC000511134563 561858629 /nfs/dbraw/zinc/85/86/29/561858629.db2.gz BATKRZPDQGAFGA-UHFFFAOYSA-N 1 2 360.889 2.329 20 30 FEEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1[C@H](C(N)=O)C[C@@H]2CCCC[C@@H]21 ZINC000361418758 554921401 /nfs/dbraw/zinc/92/14/01/554921401.db2.gz YYARFUVXDNGGDJ-BPUTZDHNSA-N 1 2 372.494 2.359 20 30 FEEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1[C@H](C(N)=O)C[C@@H]2CCCC[C@@H]21 ZINC000361418758 554921403 /nfs/dbraw/zinc/92/14/03/554921403.db2.gz YYARFUVXDNGGDJ-BPUTZDHNSA-N 1 2 372.494 2.359 20 30 FEEDLO Cn1cc[nH+]c1[C@@H]1CCN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)C1 ZINC000361789148 554935129 /nfs/dbraw/zinc/93/51/29/554935129.db2.gz OJWOPMMPGIFMAP-GFCCVEGCSA-N 1 2 350.831 2.123 20 30 FEEDLO N#Cc1ccc(N2CCC[N@@H+]([C@@H](C(N)=O)c3ccc(F)cc3)CC2)cc1 ZINC000362102773 554950341 /nfs/dbraw/zinc/95/03/41/554950341.db2.gz MLLLYAJIFVZFLN-LJQANCHMSA-N 1 2 352.413 2.436 20 30 FEEDLO N#Cc1ccc(N2CCC[N@H+]([C@@H](C(N)=O)c3ccc(F)cc3)CC2)cc1 ZINC000362102773 554950342 /nfs/dbraw/zinc/95/03/42/554950342.db2.gz MLLLYAJIFVZFLN-LJQANCHMSA-N 1 2 352.413 2.436 20 30 FEEDLO COCc1nccc([C@H]2CCC[N@H+](CC(=O)Nc3sccc3C#N)C2)n1 ZINC000363036770 555015345 /nfs/dbraw/zinc/01/53/45/555015345.db2.gz PPRBZYJWJIOCEO-AWEZNQCLSA-N 1 2 371.466 2.374 20 30 FEEDLO COCc1nccc([C@H]2CCC[N@@H+](CC(=O)Nc3sccc3C#N)C2)n1 ZINC000363036770 555015347 /nfs/dbraw/zinc/01/53/47/555015347.db2.gz PPRBZYJWJIOCEO-AWEZNQCLSA-N 1 2 371.466 2.374 20 30 FEEDLO C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(NC(=O)c2ccc[nH]2)CC1 ZINC000363651324 555155465 /nfs/dbraw/zinc/15/54/65/555155465.db2.gz LDBQEKMVWDZWNF-CQSZACIVSA-N 1 2 365.437 2.108 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cc4c(cn3)OCCC4)CC2)cc1 ZINC000363715364 555170162 /nfs/dbraw/zinc/17/01/62/555170162.db2.gz UNXBGYXGJJZSEU-UHFFFAOYSA-N 1 2 362.433 2.236 20 30 FEEDLO Cc1[nH+]c2n(c1CN1CCN(c3nc(C)ccc3C#N)CC1)CCCC2 ZINC000363772539 555182696 /nfs/dbraw/zinc/18/26/96/555182696.db2.gz BADNLKYAOIOWTP-UHFFFAOYSA-N 1 2 350.470 2.425 20 30 FEEDLO N#Cc1c(Cl)cccc1S(=O)(=O)N1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000364134814 555256593 /nfs/dbraw/zinc/25/65/93/555256593.db2.gz HUMYSFJYUJMLRX-GFCCVEGCSA-N 1 2 371.915 2.023 20 30 FEEDLO CCO[C@@H](C)c1noc(C[N@@H+]2CCCN(c3cnccc3C#N)CC2)n1 ZINC000364909623 555434011 /nfs/dbraw/zinc/43/40/11/555434011.db2.gz NBXHYHLEWBFINM-AWEZNQCLSA-N 1 2 356.430 2.146 20 30 FEEDLO CCO[C@@H](C)c1noc(C[N@H+]2CCCN(c3cnccc3C#N)CC2)n1 ZINC000364909623 555434015 /nfs/dbraw/zinc/43/40/15/555434015.db2.gz NBXHYHLEWBFINM-AWEZNQCLSA-N 1 2 356.430 2.146 20 30 FEEDLO CC(=O)NCc1ccc([C@H]2CCC[N@@H+]2CC(=O)NC2(C#N)CCCCC2)o1 ZINC000364914377 555436089 /nfs/dbraw/zinc/43/60/89/555436089.db2.gz NMKCWHSTHZMSFG-QGZVFWFLSA-N 1 2 372.469 2.395 20 30 FEEDLO CC(=O)NCc1ccc([C@H]2CCC[N@H+]2CC(=O)NC2(C#N)CCCCC2)o1 ZINC000364914377 555436090 /nfs/dbraw/zinc/43/60/90/555436090.db2.gz NMKCWHSTHZMSFG-QGZVFWFLSA-N 1 2 372.469 2.395 20 30 FEEDLO C=CC[C@@H]1N(C(=O)c2cnn(CC[NH+]3CCOCC3)c2)CCCC1(C)C ZINC000365597986 555619074 /nfs/dbraw/zinc/61/90/74/555619074.db2.gz JRKUTKABESDTQH-SFHVURJKSA-N 1 2 360.502 2.422 20 30 FEEDLO Cn1cc(C#N)c(=NC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)[nH]1 ZINC000618994198 555706642 /nfs/dbraw/zinc/70/66/42/555706642.db2.gz GZRPPNGILNVFAE-UHFFFAOYSA-N 1 2 353.430 2.236 20 30 FEEDLO O=S1(=O)CCCN1[C@@H]1CCC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000366127054 555759409 /nfs/dbraw/zinc/75/94/09/555759409.db2.gz VKUWGOZUYHHKQN-QGZVFWFLSA-N 1 2 352.887 2.191 20 30 FEEDLO O=S1(=O)CCCN1[C@@H]1CCC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000366127054 555759412 /nfs/dbraw/zinc/75/94/12/555759412.db2.gz VKUWGOZUYHHKQN-QGZVFWFLSA-N 1 2 352.887 2.191 20 30 FEEDLO N#CCc1ccc(C(=O)N2CCC3(CC2)NC(=O)C2(CCCCC2)[NH2+]3)cc1 ZINC000366985608 555989712 /nfs/dbraw/zinc/98/97/12/555989712.db2.gz BNEXQDMFDHSOSW-UHFFFAOYSA-N 1 2 366.465 2.107 20 30 FEEDLO CCO[C@H](C)c1noc(C[N@@H+]2CCCN(c3ccnc(C#N)c3)CC2)n1 ZINC000367426736 556045593 /nfs/dbraw/zinc/04/55/93/556045593.db2.gz RQMVQDBZXOKWJQ-CQSZACIVSA-N 1 2 356.430 2.146 20 30 FEEDLO CCO[C@H](C)c1noc(C[N@H+]2CCCN(c3ccnc(C#N)c3)CC2)n1 ZINC000367426736 556045594 /nfs/dbraw/zinc/04/55/94/556045594.db2.gz RQMVQDBZXOKWJQ-CQSZACIVSA-N 1 2 356.430 2.146 20 30 FEEDLO N#Cc1ccc(N2C(=O)C[C@@H]([N@@H+]3Cc4ccc(O)cc4C4(CC4)C3)C2=O)cc1 ZINC000514913992 561986261 /nfs/dbraw/zinc/98/62/61/561986261.db2.gz CXJGCRSBFALHRT-LJQANCHMSA-N 1 2 373.412 2.443 20 30 FEEDLO N#Cc1ccc(N2C(=O)C[C@@H]([N@H+]3Cc4ccc(O)cc4C4(CC4)C3)C2=O)cc1 ZINC000514913992 561986262 /nfs/dbraw/zinc/98/62/62/561986262.db2.gz CXJGCRSBFALHRT-LJQANCHMSA-N 1 2 373.412 2.443 20 30 FEEDLO N#Cc1ccc(OC[C@@H](O)C[NH2+]C2(c3noc(C(F)F)n3)CCC2)cc1 ZINC000367861313 556157734 /nfs/dbraw/zinc/15/77/34/556157734.db2.gz ZQVXBFQPUGEBLY-LBPRGKRZSA-N 1 2 364.352 2.288 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[NH+]2CCC(F)(c3cccnc3)CC2)nc1 ZINC000367981588 556187138 /nfs/dbraw/zinc/18/71/38/556187138.db2.gz BDVYBLNNUBJQQR-UHFFFAOYSA-N 1 2 374.441 2.083 20 30 FEEDLO COCC[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)[C@H]1CCCc2cccnc21 ZINC000368368813 556289946 /nfs/dbraw/zinc/28/99/46/556289946.db2.gz CDXTUXYYKCWICL-FXAWDEMLSA-N 1 2 356.470 2.216 20 30 FEEDLO COCC[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)[C@H]1CCCc2cccnc21 ZINC000368368813 556289953 /nfs/dbraw/zinc/28/99/53/556289953.db2.gz CDXTUXYYKCWICL-FXAWDEMLSA-N 1 2 356.470 2.216 20 30 FEEDLO Cn1cc(-c2ncc(C[NH+]3CCN([C@@H](C#N)c4ccccc4)CC3)cn2)cn1 ZINC000368439209 556309010 /nfs/dbraw/zinc/30/90/10/556309010.db2.gz RWZIHBCOEWMQCR-FQEVSTJZSA-N 1 2 373.464 2.260 20 30 FEEDLO C=CCN(Cc1ccccc1)C(=O)C(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000515700679 562019956 /nfs/dbraw/zinc/01/99/56/562019956.db2.gz COKKLNRLXYBCPD-GOSISDBHSA-N 1 2 366.465 2.400 20 30 FEEDLO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[NH+]2CCC(n3cnc(C#N)n3)CC2)c1C ZINC000369374180 556583937 /nfs/dbraw/zinc/58/39/37/556583937.db2.gz HXGVTPARAMAZQJ-ZDUSSCGKSA-N 1 2 368.441 2.206 20 30 FEEDLO CCn1c2cccc(F)c2nc1C[NH+]1CCC(n2cnc(C#N)n2)CC1 ZINC000369383907 556586492 /nfs/dbraw/zinc/58/64/92/556586492.db2.gz PFONRLHRUKOKCY-UHFFFAOYSA-N 1 2 353.405 2.496 20 30 FEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccn(-c2cccc(C(F)(F)F)c2)n1 ZINC000516474826 562044064 /nfs/dbraw/zinc/04/40/64/562044064.db2.gz BQUZGIKLKXCCCQ-INIZCTEOSA-N 1 2 365.359 2.465 20 30 FEEDLO C[C@H]([NH2+]CC(=O)N(CCC#N)CCC#N)c1nc(-c2ccc(F)cc2)no1 ZINC000369902948 556725704 /nfs/dbraw/zinc/72/57/04/556725704.db2.gz SGBGLNKGTWCQPD-ZDUSSCGKSA-N 1 2 370.388 2.182 20 30 FEEDLO N#Cc1cccc(-c2c[nH]c(CNC(=O)c3ccnc(-n4cc[nH+]c4)c3)n2)c1 ZINC000370930486 557020445 /nfs/dbraw/zinc/02/04/45/557020445.db2.gz BNVCURYZBVKBAR-UHFFFAOYSA-N 1 2 369.388 2.459 20 30 FEEDLO N#C[C@@H]1CN(Cc2c[nH+]c3ccc(Br)cn23)CCN1C1CC1 ZINC000371325692 557147362 /nfs/dbraw/zinc/14/73/62/557147362.db2.gz FSIVWQUVZYESKA-CQSZACIVSA-N 1 2 360.259 2.269 20 30 FEEDLO Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000371444204 557189428 /nfs/dbraw/zinc/18/94/28/557189428.db2.gz WSUKVZWNDQQEFE-MRXNPFEDSA-N 1 2 363.425 2.237 20 30 FEEDLO N#Cc1cccc(CNC(=O)C[N@@H+]2CCO[C@]3(CCc4ccccc43)C2)c1 ZINC000372190213 557404029 /nfs/dbraw/zinc/40/40/29/557404029.db2.gz BSKKHUOIKKNREY-JOCHJYFZSA-N 1 2 361.445 2.348 20 30 FEEDLO N#Cc1cccc(CNC(=O)C[N@H+]2CCO[C@]3(CCc4ccccc43)C2)c1 ZINC000372190213 557404034 /nfs/dbraw/zinc/40/40/34/557404034.db2.gz BSKKHUOIKKNREY-JOCHJYFZSA-N 1 2 361.445 2.348 20 30 FEEDLO COc1cccc(N2CC[NH+](CC(=O)NCc3ccc(C#N)cc3)CC2)c1 ZINC000519907823 562147693 /nfs/dbraw/zinc/14/76/93/562147693.db2.gz IBFRMVHCDVRFJR-UHFFFAOYSA-N 1 2 364.449 2.005 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCC(c2noc(C(F)F)n2)CC1 ZINC000373366605 557680005 /nfs/dbraw/zinc/68/00/05/557680005.db2.gz TXJLOMFYJQTWOC-MRXNPFEDSA-N 1 2 355.389 2.241 20 30 FEEDLO COc1cc(OC)cc(N2CC[C@@H]([N@H+](C)Cc3ccc(C#N)cn3)C2=O)c1 ZINC000520247874 562151899 /nfs/dbraw/zinc/15/18/99/562151899.db2.gz GXJPTYWWPQKZIG-LJQANCHMSA-N 1 2 366.421 2.208 20 30 FEEDLO COc1cc(OC)cc(N2CC[C@@H]([N@@H+](C)Cc3ccc(C#N)cn3)C2=O)c1 ZINC000520247874 562151900 /nfs/dbraw/zinc/15/19/00/562151900.db2.gz GXJPTYWWPQKZIG-LJQANCHMSA-N 1 2 366.421 2.208 20 30 FEEDLO N#CC[C@H](CC(=O)NC[C@@]1([NH+]2CCOCC2)CCCOC1)c1ccccc1 ZINC000373548050 557716126 /nfs/dbraw/zinc/71/61/26/557716126.db2.gz OOXNTZOMROAOKZ-CTNGQTDRSA-N 1 2 371.481 2.072 20 30 FEEDLO C=CCNC(=O)C[NH+]1CCN(c2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000520630245 562160622 /nfs/dbraw/zinc/16/06/22/562160622.db2.gz PWHJWPAETZDIQI-UHFFFAOYSA-N 1 2 352.360 2.001 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCCN(C(=O)CC2CCCC2)CC1 ZINC000373936083 557790850 /nfs/dbraw/zinc/79/08/50/557790850.db2.gz GQUXGSAGNOVHIQ-FQEVSTJZSA-N 1 2 362.518 2.155 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCCN(C(=O)CC2CCCC2)CC1 ZINC000373936083 557790851 /nfs/dbraw/zinc/79/08/51/557790851.db2.gz GQUXGSAGNOVHIQ-FQEVSTJZSA-N 1 2 362.518 2.155 20 30 FEEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)C1 ZINC000374334004 557867455 /nfs/dbraw/zinc/86/74/55/557867455.db2.gz SRNODUYTVVRZFH-CQSZACIVSA-N 1 2 365.437 2.176 20 30 FEEDLO COC(=O)c1ccc(C[N@@H+]2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)s1 ZINC000374362874 557871962 /nfs/dbraw/zinc/87/19/62/557871962.db2.gz AOOLGFYPVCJJAH-HXPMCKFVSA-N 1 2 367.430 2.380 20 30 FEEDLO COC(=O)c1ccc(C[N@H+]2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)s1 ZINC000374362874 557871963 /nfs/dbraw/zinc/87/19/63/557871963.db2.gz AOOLGFYPVCJJAH-HXPMCKFVSA-N 1 2 367.430 2.380 20 30 FEEDLO COc1cc(/C=C/C(=O)N2CCn3cc(C)[nH+]c3C2)ccc1OCC#N ZINC000374698146 557918332 /nfs/dbraw/zinc/91/83/32/557918332.db2.gz IJRRQCKTNKSJOM-GQCTYLIASA-N 1 2 352.394 2.158 20 30 FEEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@]3(CNC(=O)O3)C2)c(Br)c1 ZINC000375565293 558049697 /nfs/dbraw/zinc/04/96/97/558049697.db2.gz LXJPBJASIBUXSX-OAHLLOKOSA-N 1 2 350.216 2.395 20 30 FEEDLO N#Cc1ccc(C[N@H+]2CCC[C@@]3(CNC(=O)O3)C2)c(Br)c1 ZINC000375565293 558049699 /nfs/dbraw/zinc/04/96/99/558049699.db2.gz LXJPBJASIBUXSX-OAHLLOKOSA-N 1 2 350.216 2.395 20 30 FEEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCC[C@@]3(CNC(=O)O3)C2)cc1 ZINC000375571579 558050694 /nfs/dbraw/zinc/05/06/94/558050694.db2.gz OTHXTOYASXUTLU-OXJNMPFZSA-N 1 2 370.453 2.205 20 30 FEEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CCC[C@@]3(CNC(=O)O3)C2)cc1 ZINC000375571579 558050696 /nfs/dbraw/zinc/05/06/96/558050696.db2.gz OTHXTOYASXUTLU-OXJNMPFZSA-N 1 2 370.453 2.205 20 30 FEEDLO C=CCCO[C@@H](C)C(=O)N1CCC[C@H]([N@H+](C)Cc2noc(C)n2)CC1 ZINC000376244575 558146893 /nfs/dbraw/zinc/14/68/93/558146893.db2.gz LFNGWHPKPSNLLM-HOCLYGCPSA-N 1 2 350.463 2.172 20 30 FEEDLO C=CCCO[C@@H](C)C(=O)N1CCC[C@H]([N@@H+](C)Cc2noc(C)n2)CC1 ZINC000376244575 558146894 /nfs/dbraw/zinc/14/68/94/558146894.db2.gz LFNGWHPKPSNLLM-HOCLYGCPSA-N 1 2 350.463 2.172 20 30 FEEDLO Cc1nc2n(c1C[NH+]1CCN(c3cc(C#N)cc(C)n3)CC1)CCCC2 ZINC000376454605 558175446 /nfs/dbraw/zinc/17/54/46/558175446.db2.gz MBJUZKXCMBWPCL-UHFFFAOYSA-N 1 2 350.470 2.425 20 30 FEEDLO Cc1[nH+]c2n(c1CN1CCN(c3cc(C#N)cc(C)n3)CC1)CCCC2 ZINC000376454605 558175447 /nfs/dbraw/zinc/17/54/47/558175447.db2.gz MBJUZKXCMBWPCL-UHFFFAOYSA-N 1 2 350.470 2.425 20 30 FEEDLO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCN(c3cccnc3C#N)CC2)C1 ZINC000377979160 558456917 /nfs/dbraw/zinc/45/69/17/558456917.db2.gz VJPGEXVDRBABKD-HNNXBMFYSA-N 1 2 357.458 2.085 20 30 FEEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)CCCC(=O)Nc2ccccc2C#N)C1 ZINC000378271082 558516641 /nfs/dbraw/zinc/51/66/41/558516641.db2.gz UGZRSOMDEYTKSM-INIZCTEOSA-N 1 2 365.437 2.417 20 30 FEEDLO C[C@H]1C[N@H+](CCNC(=O)c2ccc(COc3ccccc3C#N)o2)CCO1 ZINC000523777062 562219827 /nfs/dbraw/zinc/21/98/27/562219827.db2.gz IVLKOBRMZHXBPV-HNNXBMFYSA-N 1 2 369.421 2.181 20 30 FEEDLO C[C@H]1C[N@@H+](CCNC(=O)c2ccc(COc3ccccc3C#N)o2)CCO1 ZINC000523777062 562219828 /nfs/dbraw/zinc/21/98/28/562219828.db2.gz IVLKOBRMZHXBPV-HNNXBMFYSA-N 1 2 369.421 2.181 20 30 FEEDLO C[C@H](CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1cnn(C)c1 ZINC000411124190 558841039 /nfs/dbraw/zinc/84/10/39/558841039.db2.gz GRCIQHXDTDGLAZ-MRXNPFEDSA-N 1 2 351.454 2.130 20 30 FEEDLO N#Cc1ccc(N2CC[NH+]([C@@H]3CCN(c4ccc(F)cc4)C3=O)CC2)nc1 ZINC000411193700 558851520 /nfs/dbraw/zinc/85/15/20/558851520.db2.gz SUHUSICYTXJKNA-GOSISDBHSA-N 1 2 365.412 2.020 20 30 FEEDLO COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(C(C)(C)C#N)cc2)C1 ZINC000412370011 559031652 /nfs/dbraw/zinc/03/16/52/559031652.db2.gz ONBCQXACUMVAJE-HNNXBMFYSA-N 1 2 357.454 2.103 20 30 FEEDLO COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)c2ccc(C(C)(C)C#N)cc2)C1 ZINC000412370011 559031653 /nfs/dbraw/zinc/03/16/53/559031653.db2.gz ONBCQXACUMVAJE-HNNXBMFYSA-N 1 2 357.454 2.103 20 30 FEEDLO C[C@@H](O)CNc1cc(NC2CCC(Oc3ncccc3C#N)CC2)nc[nH+]1 ZINC000413238644 559091092 /nfs/dbraw/zinc/09/10/92/559091092.db2.gz DPOSKQOSKVIDBA-IUDNXUCKSA-N 1 2 368.441 2.338 20 30 FEEDLO C[C@@H](O)CNc1cc(NC2CCC(Oc3ncccc3C#N)CC2)[nH+]cn1 ZINC000413238644 559091093 /nfs/dbraw/zinc/09/10/93/559091093.db2.gz DPOSKQOSKVIDBA-IUDNXUCKSA-N 1 2 368.441 2.338 20 30 FEEDLO C=C(C)CN(Cc1ccc(CO)o1)c1cc(N2CC[C@H]([C@@H](C)O)C2)[nH+]cn1 ZINC000413277415 559094789 /nfs/dbraw/zinc/09/47/89/559094789.db2.gz DUSZPTSAUIWQSN-CVEARBPZSA-N 1 2 372.469 2.352 20 30 FEEDLO C=C(C)CN(Cc1ccc(CO)o1)c1cc(N2CC[C@H]([C@@H](C)O)C2)nc[nH+]1 ZINC000413277415 559094790 /nfs/dbraw/zinc/09/47/90/559094790.db2.gz DUSZPTSAUIWQSN-CVEARBPZSA-N 1 2 372.469 2.352 20 30 FEEDLO C=C(C)CN(Cc1ccc(CO)o1)c1cc(N2CC[C@@H]([C@H](C)O)C2)[nH+]cn1 ZINC000413277423 559094960 /nfs/dbraw/zinc/09/49/60/559094960.db2.gz DUSZPTSAUIWQSN-JKSUJKDBSA-N 1 2 372.469 2.352 20 30 FEEDLO C=C(C)CN(Cc1ccc(CO)o1)c1cc(N2CC[C@@H]([C@H](C)O)C2)nc[nH+]1 ZINC000413277423 559094962 /nfs/dbraw/zinc/09/49/62/559094962.db2.gz DUSZPTSAUIWQSN-JKSUJKDBSA-N 1 2 372.469 2.352 20 30 FEEDLO C[N@H+](CCC#N)C[C@H](O)CSc1n[nH]c(-c2cc(F)cc(F)c2)n1 ZINC000414155085 559150934 /nfs/dbraw/zinc/15/09/34/559150934.db2.gz SQYAHXMFBGTYHC-ZDUSSCGKSA-N 1 2 353.398 2.048 20 30 FEEDLO C[N@@H+](CCC#N)C[C@H](O)CSc1n[nH]c(-c2cc(F)cc(F)c2)n1 ZINC000414155085 559150935 /nfs/dbraw/zinc/15/09/35/559150935.db2.gz SQYAHXMFBGTYHC-ZDUSSCGKSA-N 1 2 353.398 2.048 20 30 FEEDLO N#Cc1cccc2c1CCN2CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000420970265 559515630 /nfs/dbraw/zinc/51/56/30/559515630.db2.gz FAMGRFZNRVDIKL-UHFFFAOYSA-N 1 2 366.490 2.327 20 30 FEEDLO C=CCCn1cc(C(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)nn1 ZINC000424651351 559672361 /nfs/dbraw/zinc/67/23/61/559672361.db2.gz VHBZQARSYSYLSM-HNNXBMFYSA-N 1 2 355.442 2.500 20 30 FEEDLO C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000425084348 559686634 /nfs/dbraw/zinc/68/66/34/559686634.db2.gz JPMZVPWZQKMGKO-SWLSCSKDSA-N 1 2 355.360 2.277 20 30 FEEDLO C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000425084348 559686635 /nfs/dbraw/zinc/68/66/35/559686635.db2.gz JPMZVPWZQKMGKO-SWLSCSKDSA-N 1 2 355.360 2.277 20 30 FEEDLO Cc1cc(NCc2ccc(S(=O)(=O)N(C)C(C)C)cc2)c(C#N)c[nH+]1 ZINC000425213220 559691686 /nfs/dbraw/zinc/69/16/86/559691686.db2.gz GNXJZQJEVZNDMJ-UHFFFAOYSA-N 1 2 358.467 2.325 20 30 FEEDLO Cc1cc(NC[C@@H](O)COc2ccccc2Br)c(C#N)c[nH+]1 ZINC000425234213 559692577 /nfs/dbraw/zinc/69/25/77/559692577.db2.gz HFAYDPWPAADMSL-CYBMUJFWSA-N 1 2 362.227 2.298 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000425408480 559700557 /nfs/dbraw/zinc/70/05/57/559700557.db2.gz TWDLJNLZERYEHL-UFYCRDLUSA-N 1 2 373.497 2.259 20 30 FEEDLO COC(=O)c1cnc([C@@H](C)[NH2+][C@H](C)C(=O)NC2(C#N)CCCCC2)s1 ZINC000425479676 559704476 /nfs/dbraw/zinc/70/44/76/559704476.db2.gz DNKSIQRHUZBAAS-VXGBXAGGSA-N 1 2 364.471 2.311 20 30 FEEDLO C=CCNC(=O)CN1CCN(c2cc(C(C)(C)C)[nH+]c(C(C)C)n2)CC1 ZINC000433603982 559884951 /nfs/dbraw/zinc/88/49/51/559884951.db2.gz LVQNGNXLTUMEMH-UHFFFAOYSA-N 1 2 359.518 2.322 20 30 FEEDLO C=CCN(CC=C)C(=O)C[NH2+][C@@H](c1ccc(C)cc1)[C@@H](C)S(C)(=O)=O ZINC000435902887 559932093 /nfs/dbraw/zinc/93/20/93/559932093.db2.gz QPHJGQLPDFOOCY-VQIMIIECSA-N 1 2 364.511 2.259 20 30 FEEDLO CC#CCCNC(=O)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000440700269 560016750 /nfs/dbraw/zinc/01/67/50/560016750.db2.gz FESOYEZUBHWHDF-UHFFFAOYSA-N 1 2 350.422 2.355 20 30 FEEDLO N#Cc1cccc(-c2nnc(C[N@H+]3CCC[C@@H]3[C@@H](O)C(F)(F)F)o2)c1 ZINC000441316733 560028523 /nfs/dbraw/zinc/02/85/23/560028523.db2.gz UTYFXVCZGITRCL-TZMCWYRMSA-N 1 2 352.316 2.496 20 30 FEEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3CCC[C@@H]3[C@@H](O)C(F)(F)F)o2)c1 ZINC000441316733 560028524 /nfs/dbraw/zinc/02/85/24/560028524.db2.gz UTYFXVCZGITRCL-TZMCWYRMSA-N 1 2 352.316 2.496 20 30 FEEDLO C[C@]1(Br)C[C@H]1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000527685598 562300267 /nfs/dbraw/zinc/30/02/67/562300267.db2.gz PHZCTHPIONWFKE-RDJZCZTQSA-N 1 2 362.271 2.376 20 30 FEEDLO COc1ccc(CS(=O)(=O)Cc2[nH+]ccn2CC(F)(F)F)cc1C#N ZINC000446965740 560154399 /nfs/dbraw/zinc/15/43/99/560154399.db2.gz LALXXZFDHOVVRH-UHFFFAOYSA-N 1 2 373.356 2.441 20 30 FEEDLO Cc1[nH]c(C#N)cc1C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1 ZINC000448707612 560195665 /nfs/dbraw/zinc/19/56/65/560195665.db2.gz KOFRGBSNKGNHSO-CHWSQXEVSA-N 1 2 353.426 2.133 20 30 FEEDLO C[C@@H]1C[C@]1(C#N)C(=O)N1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000448809530 560200420 /nfs/dbraw/zinc/20/04/20/560200420.db2.gz JGWINKFESWQAKE-FZKQIMNGSA-N 1 2 357.845 2.182 20 30 FEEDLO C=CCOc1ccc(CC(=O)NC(C)(C)c2noc(C[NH+](C)C)n2)cc1 ZINC000448859696 560203122 /nfs/dbraw/zinc/20/31/22/560203122.db2.gz FWQHIKGCHMBTJC-UHFFFAOYSA-N 1 2 358.442 2.290 20 30 FEEDLO N#Cc1c(Br)cccc1OCC(=O)NCCCn1cc[nH+]c1 ZINC000449052131 560214236 /nfs/dbraw/zinc/21/42/36/560214236.db2.gz XEWAZMJJOCDPIZ-UHFFFAOYSA-N 1 2 363.215 2.103 20 30 FEEDLO COc1cccc(OCC[NH+]2CCN(C(=O)c3cc(C#N)[nH]c3C)CC2)c1 ZINC000450146478 560252285 /nfs/dbraw/zinc/25/22/85/560252285.db2.gz MPHHLHUTQYKSMC-UHFFFAOYSA-N 1 2 368.437 2.040 20 30 FEEDLO C[NH+](C)[C@H](CNc1nc2c(cc1C#N)COCC2)c1c(F)cccc1F ZINC000450332980 560258888 /nfs/dbraw/zinc/25/88/88/560258888.db2.gz PESNCZYJJLLMNV-QGZVFWFLSA-N 1 2 358.392 3.019 20 30 FEEDLO CC(C)(C)OC(=O)C[NH2+][C@@]1(C)CCN(c2cccc(C#N)c2[N+](=O)[O-])C1 ZINC000450498040 560264203 /nfs/dbraw/zinc/26/42/03/560264203.db2.gz FWCRWCOLSPQMLP-SFHVURJKSA-N 1 2 360.414 2.367 20 30 FEEDLO COC(=O)[C@H]1C[N@H+](CC(=O)Nc2sccc2C#N)C[C@H]1c1ccccc1 ZINC000452006334 560344924 /nfs/dbraw/zinc/34/49/24/560344924.db2.gz NXKIINQTGYKFLL-HOTGVXAUSA-N 1 2 369.446 2.447 20 30 FEEDLO COC(=O)[C@H]1C[N@@H+](CC(=O)Nc2sccc2C#N)C[C@H]1c1ccccc1 ZINC000452006334 560344925 /nfs/dbraw/zinc/34/49/25/560344925.db2.gz NXKIINQTGYKFLL-HOTGVXAUSA-N 1 2 369.446 2.447 20 30 FEEDLO Cc1cc(C#N)cc(NC(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)c1 ZINC000453619756 560391656 /nfs/dbraw/zinc/39/16/56/560391656.db2.gz KTIBPGOPYRLUDM-UHFFFAOYSA-N 1 2 368.462 2.041 20 30 FEEDLO Cc1cc(C#N)cc(NC(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)c1 ZINC000453619756 560391657 /nfs/dbraw/zinc/39/16/57/560391657.db2.gz KTIBPGOPYRLUDM-UHFFFAOYSA-N 1 2 368.462 2.041 20 30 FEEDLO C=CCC[C@H](CO)NC(=O)NC[C@H](c1cccs1)[N@H+]1CCO[C@@H](C)C1 ZINC000458517046 560629000 /nfs/dbraw/zinc/62/90/00/560629000.db2.gz QKUVUYMIAJFABV-ARFHVFGLSA-N 1 2 367.515 2.136 20 30 FEEDLO C=CCC[C@H](CO)NC(=O)NC[C@H](c1cccs1)[N@@H+]1CCO[C@@H](C)C1 ZINC000458517046 560629001 /nfs/dbraw/zinc/62/90/01/560629001.db2.gz QKUVUYMIAJFABV-ARFHVFGLSA-N 1 2 367.515 2.136 20 30 FEEDLO C=CC(C)(C)CNC(=O)N(C)C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1 ZINC000458994323 560660894 /nfs/dbraw/zinc/66/08/94/560660894.db2.gz ZANUZQMSRKRFOE-HOTGVXAUSA-N 1 2 351.470 2.186 20 30 FEEDLO C=CC(C)(C)CNC(=O)N(C)C[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1 ZINC000458994323 560660896 /nfs/dbraw/zinc/66/08/96/560660896.db2.gz ZANUZQMSRKRFOE-HOTGVXAUSA-N 1 2 351.470 2.186 20 30 FEEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@H]1CCC[C@@H]1C#N ZINC000459457852 560687653 /nfs/dbraw/zinc/68/76/53/560687653.db2.gz DUZSJGWESYRULU-WBVHZDCISA-N 1 2 357.458 2.234 20 30 FEEDLO COC(=O)c1cccc2c1CC[N@H+](CC(=O)NCc1ccc(C#N)cc1)C2 ZINC000459543730 560693419 /nfs/dbraw/zinc/69/34/19/560693419.db2.gz YOBZMWSKXVTTCE-UHFFFAOYSA-N 1 2 363.417 2.019 20 30 FEEDLO COC(=O)c1cccc2c1CC[N@@H+](CC(=O)NCc1ccc(C#N)cc1)C2 ZINC000459543730 560693420 /nfs/dbraw/zinc/69/34/20/560693420.db2.gz YOBZMWSKXVTTCE-UHFFFAOYSA-N 1 2 363.417 2.019 20 30 FEEDLO Cc1cc(=NC(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)[nH]n1CCC#N ZINC000462279508 560804242 /nfs/dbraw/zinc/80/42/42/560804242.db2.gz LEGWEPNHUPNLOQ-HNNXBMFYSA-N 1 2 372.498 3.077 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Cc1ccc(Cl)c(F)c1 ZINC000468312941 560926926 /nfs/dbraw/zinc/92/69/26/560926926.db2.gz YKJOXTHFOQJWRL-UHFFFAOYSA-N 1 2 353.825 2.096 20 30 FEEDLO N#CCCCN1C(=O)CCc2cc(NC(=O)NCc3[nH]cc[nH+]3)ccc21 ZINC000470547624 560984369 /nfs/dbraw/zinc/98/43/69/560984369.db2.gz FNWUVYRJNWQTFY-UHFFFAOYSA-N 1 2 352.398 2.314 20 30 FEEDLO Cc1nn(C)c(N2CCN(c3cc(C)[nH+]c(-c4ccncc4)n3)CC2)c1C#N ZINC000472436718 561026377 /nfs/dbraw/zinc/02/63/77/561026377.db2.gz WDZUESRNIYDVKG-UHFFFAOYSA-N 1 2 374.452 2.087 20 30 FEEDLO C=C(C)COc1cc(C[NH+]2CCN(C(=O)CCOC)CC2)ccc1OC ZINC000475156183 561091914 /nfs/dbraw/zinc/09/19/14/561091914.db2.gz PRBRJCRUHLQTEK-UHFFFAOYSA-N 1 2 362.470 2.331 20 30 FEEDLO N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCNC(=O)[C@@H]1CC1CCCCC1 ZINC000528526001 562333928 /nfs/dbraw/zinc/33/39/28/562333928.db2.gz HTLDENPJJXCNPK-OALUTQOASA-N 1 2 371.481 2.069 20 30 FEEDLO N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CCNC(=O)[C@@H]1CC1CCCCC1 ZINC000528526001 562333929 /nfs/dbraw/zinc/33/39/29/562333929.db2.gz HTLDENPJJXCNPK-OALUTQOASA-N 1 2 371.481 2.069 20 30 FEEDLO C[C@]1(CO)C[N@@H+](Cc2ccc(Br)cc2C#N)C[C@@]1(C)CO ZINC000528754857 562346138 /nfs/dbraw/zinc/34/61/38/562346138.db2.gz LRJXKMVBSXKBIB-IYBDPMFKSA-N 1 2 353.260 2.134 20 30 FEEDLO C[C@]1(CO)C[N@H+](Cc2ccc(Br)cc2C#N)C[C@@]1(C)CO ZINC000528754857 562346139 /nfs/dbraw/zinc/34/61/39/562346139.db2.gz LRJXKMVBSXKBIB-IYBDPMFKSA-N 1 2 353.260 2.134 20 30 FEEDLO Cc1sc(NC(=O)C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)c(C#N)c1C ZINC000528781373 562347277 /nfs/dbraw/zinc/34/72/77/562347277.db2.gz GFWRYFRNTSTCAD-HEWAKGLMSA-N 1 2 351.497 2.161 20 30 FEEDLO Cc1sc(NC(=O)C[N@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)c(C#N)c1C ZINC000528781373 562347278 /nfs/dbraw/zinc/34/72/78/562347278.db2.gz GFWRYFRNTSTCAD-HEWAKGLMSA-N 1 2 351.497 2.161 20 30 FEEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2c2ccc(=O)[nH]n2)cc1Cl ZINC000528791327 562348079 /nfs/dbraw/zinc/34/80/79/562348079.db2.gz DRMLMORRZNOJKU-HNNXBMFYSA-N 1 2 357.801 2.483 20 30 FEEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@H]2c2ccc(=O)[nH]n2)cc1Cl ZINC000528791327 562348080 /nfs/dbraw/zinc/34/80/80/562348080.db2.gz DRMLMORRZNOJKU-HNNXBMFYSA-N 1 2 357.801 2.483 20 30 FEEDLO COC(=O)[C@@H](c1cccc(C#N)c1)N1CCN(c2c[nH+]ccc2C)CC1 ZINC000534239948 562528300 /nfs/dbraw/zinc/52/83/00/562528300.db2.gz FMQYFLWSFJZKNK-LJQANCHMSA-N 1 2 350.422 2.298 20 30 FEEDLO COC(=O)c1cccc(C[N@@H+]2CCCN(c3nc(C)ns3)CC2)c1C#N ZINC000534472017 562534785 /nfs/dbraw/zinc/53/47/85/562534785.db2.gz DXFDEEKAQGACMJ-UHFFFAOYSA-N 1 2 371.466 2.217 20 30 FEEDLO COC(=O)c1cccc(C[N@H+]2CCCN(c3nc(C)ns3)CC2)c1C#N ZINC000534472017 562534786 /nfs/dbraw/zinc/53/47/86/562534786.db2.gz DXFDEEKAQGACMJ-UHFFFAOYSA-N 1 2 371.466 2.217 20 30 FEEDLO N#Cc1cc(F)ccc1NC(=O)C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000534529055 562536124 /nfs/dbraw/zinc/53/61/24/562536124.db2.gz RKMXXAQCFOWWTR-UHFFFAOYSA-N 1 2 372.425 2.042 20 30 FEEDLO C=C[C@H](CC(=O)N[C@H]1CCCN(Cc2[nH+]ccn2C)C1=O)c1ccccc1 ZINC000541228386 562606487 /nfs/dbraw/zinc/60/64/87/562606487.db2.gz IHXFULDPGXEQGA-AEFFLSMTSA-N 1 2 366.465 2.387 20 30 FEEDLO CSc1ccc(NC(=O)C[NH+]2CCN(c3cccc(C#N)n3)CC2)cc1 ZINC000545506121 562628492 /nfs/dbraw/zinc/62/84/92/562628492.db2.gz KQHZOCSGYDTXOC-UHFFFAOYSA-N 1 2 367.478 2.436 20 30 FEEDLO Cc1cc(C#N)cnc1C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1 ZINC000549768529 562639355 /nfs/dbraw/zinc/63/93/55/562639355.db2.gz WFZPMLPTFZCLQK-HUUCEWRRSA-N 1 2 365.437 2.200 20 30 FEEDLO CC(C)(C)c1csc(NC(=O)C(=O)NCCCn2cc[nH+]c2)c1C#N ZINC000550217775 562644694 /nfs/dbraw/zinc/64/46/94/562644694.db2.gz HTYZOXNPGAOELZ-UHFFFAOYSA-N 1 2 359.455 2.259 20 30 FEEDLO C=C(C)CNC(=S)N1CC[NH+]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000806610151 674383668 /nfs/dbraw/zinc/38/36/68/674383668.db2.gz WHDDVQBRATUWIM-OAHLLOKOSA-N 1 2 368.547 2.064 20 30 FEEDLO Cc1ccc([C@H](NC(=O)C[NH+]2C[C@@H](C)N(CC#N)[C@H](C)C2)C2CC2)cc1 ZINC000602855490 568002267 /nfs/dbraw/zinc/00/22/67/568002267.db2.gz HGJUROFXBMFNBE-LZJOCLMNSA-N 1 2 354.498 2.481 20 30 FEEDLO C[C@H]1C[NH+](CC(=O)Nc2ccccc2OC(F)F)C[C@H](C)N1CC#N ZINC000602857444 568002694 /nfs/dbraw/zinc/00/26/94/568002694.db2.gz RIXZUKQFVSAKKK-STQMWFEESA-N 1 2 352.385 2.145 20 30 FEEDLO COc1ccc(NC(=O)C[N@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)cc1Cl ZINC000602860942 568049484 /nfs/dbraw/zinc/04/94/84/568049484.db2.gz JVXYHUWLHHQHDA-BETUJISGSA-N 1 2 350.850 2.205 20 30 FEEDLO COc1ccc(NC(=O)C[N@@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)cc1Cl ZINC000602860942 568049485 /nfs/dbraw/zinc/04/94/85/568049485.db2.gz JVXYHUWLHHQHDA-BETUJISGSA-N 1 2 350.850 2.205 20 30 FEEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)n1cc(Cn2cc[nH+]c2)nn1 ZINC000603192252 568072176 /nfs/dbraw/zinc/07/21/76/568072176.db2.gz LZRQUXVQRYFNDF-CSLYMUCUSA-N 1 2 355.446 2.015 20 30 FEEDLO CCN(C[C@@H](C)C#N)C(=O)CN1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC000603850040 568164541 /nfs/dbraw/zinc/16/45/41/568164541.db2.gz YKZVTGNDNJTRJD-SFHVURJKSA-N 1 2 372.513 2.129 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3n[nH]nc3-c3ccccc3)CC2)cc1 ZINC000568845042 568236058 /nfs/dbraw/zinc/23/60/58/568236058.db2.gz ZSUHOBXPEUPOAU-UHFFFAOYSA-N 1 2 372.432 2.301 20 30 FEEDLO CC(C)[C@@H](C#N)N1CC[NH+](CC(=O)N[C@@H]2CCCc3ccccc32)CC1 ZINC000609486249 568346296 /nfs/dbraw/zinc/34/62/96/568346296.db2.gz GRWHYFLSFUXWEO-WOJBJXKFSA-N 1 2 354.498 2.346 20 30 FEEDLO C[C@@H]1CN(S(=O)(=O)c2cccc(Br)c2C#N)[C@@H](C)C[N@@H+]1C ZINC000557841554 674470194 /nfs/dbraw/zinc/47/01/94/674470194.db2.gz XAKJVLMHBPKKCM-MNOVXSKESA-N 1 2 372.288 2.034 20 30 FEEDLO C[C@@H]1CN(S(=O)(=O)c2cccc(Br)c2C#N)[C@@H](C)C[N@H+]1C ZINC000557841554 674470196 /nfs/dbraw/zinc/47/01/96/674470196.db2.gz XAKJVLMHBPKKCM-MNOVXSKESA-N 1 2 372.288 2.034 20 30 FEEDLO N#Cc1ccc(CN2CC[NH+](Cc3ccc(-c4nn[nH]n4)s3)CC2)cc1 ZINC000826384680 608502909 /nfs/dbraw/zinc/50/29/09/608502909.db2.gz FIYJCNCNQDFMSP-UHFFFAOYSA-N 1 2 365.466 2.118 20 30 FEEDLO Cc1nn(C)c(N)c1C=[NH+]Nc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000814800744 674880723 /nfs/dbraw/zinc/88/07/23/674880723.db2.gz KLEPPZQELXBUKW-UHFFFAOYSA-N 1 2 361.349 2.050 20 30 FEEDLO N#Cc1ncccc1SCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000565609089 675136589 /nfs/dbraw/zinc/13/65/89/675136589.db2.gz UEZSZFOYYDZBGI-UHFFFAOYSA-N 1 2 352.463 2.390 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[NH2+]Cc2nc3ccccc3s2)nc1 ZINC000572590356 671020420 /nfs/dbraw/zinc/02/04/20/671020420.db2.gz UWLYCFODJFAREJ-UHFFFAOYSA-N 1 2 358.448 2.126 20 30 FEEDLO C=CCc1ccc(OC[C@H](O)C[NH2+]Cc2nn(C)cc2Cl)c(OC)c1 ZINC000577386990 671593123 /nfs/dbraw/zinc/59/31/23/671593123.db2.gz YFKWQBZZPDRQIP-CQSZACIVSA-N 1 2 365.861 2.340 20 30 FEEDLO C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCN(c2nccc3sccc32)CC1 ZINC000580915811 671845844 /nfs/dbraw/zinc/84/58/44/671845844.db2.gz DWIXPHBGUSPOQI-AWEZNQCLSA-N 1 2 357.483 2.179 20 30 FEEDLO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)c1nc2c(s1)CCC2 ZINC000581711768 671928249 /nfs/dbraw/zinc/92/82/49/671928249.db2.gz GVOSRRGVPOIDIC-LLVKDONJSA-N 1 2 362.480 2.023 20 30 FEEDLO N#Cc1ccc(Cl)c(NC(=O)C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000610679773 675988825 /nfs/dbraw/zinc/98/88/25/675988825.db2.gz DKNRFLNUOSJZME-CYBMUJFWSA-N 1 2 357.801 2.210 20 30 FEEDLO C[N@H+](CCCOc1cccc(S(C)(=O)=O)c1)Cc1ccnc(C#N)c1 ZINC000610992313 676009235 /nfs/dbraw/zinc/00/92/35/676009235.db2.gz UMQDASVRUNEQFT-UHFFFAOYSA-N 1 2 359.451 2.258 20 30 FEEDLO C[N@@H+](CCCOc1cccc(S(C)(=O)=O)c1)Cc1ccnc(C#N)c1 ZINC000610992313 676009237 /nfs/dbraw/zinc/00/92/37/676009237.db2.gz UMQDASVRUNEQFT-UHFFFAOYSA-N 1 2 359.451 2.258 20 30 FEEDLO Cc1cc(C#N)nc(N2CC[NH+]([C@H](CO)c3ccc(Cl)cc3)CC2)n1 ZINC000587977098 672443424 /nfs/dbraw/zinc/44/34/24/672443424.db2.gz ATDIWNGSQYVCPY-QGZVFWFLSA-N 1 2 357.845 2.166 20 30 FEEDLO CNS(=O)(=O)c1ccc(C(=O)/C=C\c2c[nH+]c3c(C)cccn23)cc1 ZINC000254982253 672881858 /nfs/dbraw/zinc/88/18/58/672881858.db2.gz RQHSWWIQJPNODT-YFHOEESVSA-N 1 2 355.419 2.447 20 30 FEEDLO CCOc1cc(C[NH2+][C@H]2CCC[C@@H]2C#N)nc2nc(C(F)(F)F)nn21 ZINC000329594649 673079508 /nfs/dbraw/zinc/07/95/08/673079508.db2.gz ORQGQLGWMNPGDY-KOLCDFICSA-N 1 2 354.336 2.324 20 30 FEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(I)c1 ZINC000730095296 673261937 /nfs/dbraw/zinc/26/19/37/673261937.db2.gz AFDHWPFFDPPNAJ-ZDUSSCGKSA-N 1 2 354.191 2.327 20 30 FEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(I)c1 ZINC000730095296 673261939 /nfs/dbraw/zinc/26/19/39/673261939.db2.gz AFDHWPFFDPPNAJ-ZDUSSCGKSA-N 1 2 354.191 2.327 20 30 FEEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)C[C@H]1COCCO1 ZINC000595737492 673286963 /nfs/dbraw/zinc/28/69/63/673286963.db2.gz QVQHTWGBVSUZFA-GJZGRUSLSA-N 1 2 363.483 2.224 20 30 FEEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)C[C@H]1COCCO1 ZINC000595737492 673286966 /nfs/dbraw/zinc/28/69/66/673286966.db2.gz QVQHTWGBVSUZFA-GJZGRUSLSA-N 1 2 363.483 2.224 20 30 FEEDLO CN(C1CCCCC1)S(=O)(=O)N1CC[NH+](CCC(C)(C)C#N)CC1 ZINC000539568302 673496414 /nfs/dbraw/zinc/49/64/14/673496414.db2.gz WYQDRQYOYMQRLL-UHFFFAOYSA-N 1 2 356.536 2.053 20 30 FEEDLO N#CC1(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000600757321 673796936 /nfs/dbraw/zinc/79/69/36/673796936.db2.gz USASWEUSHWLYMN-UHFFFAOYSA-N 1 2 351.428 2.432 20 30 FEEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1ccc(N2CCCC2=O)c(Cl)c1 ZINC000819398585 675288142 /nfs/dbraw/zinc/28/81/42/675288142.db2.gz URFABJXFUBMOAX-AWEZNQCLSA-N 1 2 350.850 2.085 20 30 FEEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1ccc(N2CCCC2=O)c(Cl)c1 ZINC000819398585 675288143 /nfs/dbraw/zinc/28/81/43/675288143.db2.gz URFABJXFUBMOAX-AWEZNQCLSA-N 1 2 350.850 2.085 20 30 FEEDLO C[N@H+](CCC#N)C[C@H](O)CNc1cc(F)ccc1OC[C@H]1CCCO1 ZINC000819436884 675290431 /nfs/dbraw/zinc/29/04/31/675290431.db2.gz GTJRTAARYPZYFO-HZPDHXFCSA-N 1 2 351.422 2.002 20 30 FEEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1cc(F)ccc1OC[C@H]1CCCO1 ZINC000819436884 675290436 /nfs/dbraw/zinc/29/04/36/675290436.db2.gz GTJRTAARYPZYFO-HZPDHXFCSA-N 1 2 351.422 2.002 20 30 FEEDLO C#CCN1C(=O)C[C@H]([NH+]2CCC(c3nc(C(F)(F)F)cs3)CC2)C1=O ZINC000821771971 675450872 /nfs/dbraw/zinc/45/08/72/675450872.db2.gz VIUQZMMQGUZWOS-NSHDSACASA-N 1 2 371.384 2.102 20 30 FEEDLO C=CCS(=O)(=O)CC[NH2+]Cc1ncc(Br)cc1Cl ZINC000865525098 683993202 /nfs/dbraw/zinc/99/32/02/683993202.db2.gz WDFNONVWBCDWFJ-UHFFFAOYSA-N 1 2 353.669 2.188 20 30 FEEDLO C=CCOc1ccc(CN2CC[NH+](CC(=O)N(C)C)CC2)cc1Cl ZINC000678125297 679716499 /nfs/dbraw/zinc/71/64/99/679716499.db2.gz HIYDXMXUHFZEIZ-UHFFFAOYSA-N 1 2 351.878 2.111 20 30 FEEDLO C=CCOCCCNC(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000633353430 677044328 /nfs/dbraw/zinc/04/43/28/677044328.db2.gz BLKNVLBFCGRXFW-UHFFFAOYSA-N 1 2 350.488 2.027 20 30 FEEDLO CC#CC[NH2+]Cc1cn(CC(=O)Nc2ccc(C(F)(F)F)cc2)nn1 ZINC000640764188 677188134 /nfs/dbraw/zinc/18/81/34/677188134.db2.gz OEBMUUVFRUGHHD-UHFFFAOYSA-N 1 2 351.332 2.049 20 30 FEEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)n1cc(C[NH2+]CC#CC)nn1 ZINC000640930497 677191904 /nfs/dbraw/zinc/19/19/04/677191904.db2.gz SQDQIHKGLIMUAV-HNNXBMFYSA-N 1 2 357.483 2.228 20 30 FEEDLO CC#CC[NH2+]Cc1cn([C@H](C)C(=O)N2CCC[C@H]2c2cccs2)nn1 ZINC000640927621 677191913 /nfs/dbraw/zinc/19/19/13/677191913.db2.gz WAQIMOPJFRCDTJ-ZBFHGGJFSA-N 1 2 357.483 2.377 20 30 FEEDLO CC#CC[C@H](CO)NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000645391145 677258730 /nfs/dbraw/zinc/25/87/30/677258730.db2.gz HOWPUFLWGNVFBS-XOKHGSTOSA-N 1 2 367.852 2.298 20 30 FEEDLO CC#CC[C@H](CO)NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000645391145 677258731 /nfs/dbraw/zinc/25/87/31/677258731.db2.gz HOWPUFLWGNVFBS-XOKHGSTOSA-N 1 2 367.852 2.298 20 30 FEEDLO Cc1nn(C)c(Cl)c1C[N@H+](C)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000839586362 680763981 /nfs/dbraw/zinc/76/39/81/680763981.db2.gz NIULHJWOIUSKGG-OAHLLOKOSA-N 1 2 362.861 2.320 20 30 FEEDLO Cc1nn(C)c(Cl)c1C[N@@H+](C)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000839586362 680763982 /nfs/dbraw/zinc/76/39/82/680763982.db2.gz NIULHJWOIUSKGG-OAHLLOKOSA-N 1 2 362.861 2.320 20 30 FEEDLO C=CC[N@H+](CC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1)C(C)(C)C ZINC000661755688 678530052 /nfs/dbraw/zinc/53/00/52/678530052.db2.gz OLIBEEOAEPOHAG-MRXNPFEDSA-N 1 2 356.532 2.231 20 30 FEEDLO C=CC[N@@H+](CC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1)C(C)(C)C ZINC000661755688 678530055 /nfs/dbraw/zinc/53/00/55/678530055.db2.gz OLIBEEOAEPOHAG-MRXNPFEDSA-N 1 2 356.532 2.231 20 30 FEEDLO C#CCCC[NH+]1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 ZINC000766895305 680891796 /nfs/dbraw/zinc/89/17/96/680891796.db2.gz DOQANUVWDJVCKH-UHFFFAOYSA-N 1 2 371.300 2.169 20 30 FEEDLO COc1ccc(Br)c([C@H](CO)[N@H+](C)CCO[C@H](C)C#N)c1 ZINC000831248602 679954571 /nfs/dbraw/zinc/95/45/71/679954571.db2.gz KACNRNJVOQOYNJ-ABAIWWIYSA-N 1 2 357.248 2.352 20 30 FEEDLO COc1ccc(Br)c([C@H](CO)[N@@H+](C)CCO[C@H](C)C#N)c1 ZINC000831248602 679954574 /nfs/dbraw/zinc/95/45/74/679954574.db2.gz KACNRNJVOQOYNJ-ABAIWWIYSA-N 1 2 357.248 2.352 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[N@@H+](Cc2cc(OC)ns2)CC1(C)C ZINC000975064550 680011268 /nfs/dbraw/zinc/01/12/68/680011268.db2.gz NLUNJFGYLNBZBA-ILXRZTDVSA-N 1 2 365.499 2.069 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[N@H+](Cc2cc(OC)ns2)CC1(C)C ZINC000975064550 680011275 /nfs/dbraw/zinc/01/12/75/680011275.db2.gz NLUNJFGYLNBZBA-ILXRZTDVSA-N 1 2 365.499 2.069 20 30 FEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2nn(C)cc2Cl)C1 ZINC001019491029 680094319 /nfs/dbraw/zinc/09/43/19/680094319.db2.gz MHWGSXLUICDPQP-ZQIUZPCESA-N 1 2 366.893 2.135 20 30 FEEDLO C=C(Br)C[N@@H+]1CC[C@]2(NC(=O)[C@H]3OCC[C@H]3C)CCC[C@H]12 ZINC000992212642 680097124 /nfs/dbraw/zinc/09/71/24/680097124.db2.gz XQWVCHTZBQMQJO-AOLWHUPESA-N 1 2 357.292 2.433 20 30 FEEDLO C=C(Br)C[N@H+]1CC[C@]2(NC(=O)[C@H]3OCC[C@H]3C)CCC[C@H]12 ZINC000992212642 680097126 /nfs/dbraw/zinc/09/71/26/680097126.db2.gz XQWVCHTZBQMQJO-AOLWHUPESA-N 1 2 357.292 2.433 20 30 FEEDLO N#Cc1c(F)cccc1S(=O)(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000750987730 680145018 /nfs/dbraw/zinc/14/50/18/680145018.db2.gz DIRYRYDELATRQF-UHFFFAOYSA-N 1 2 360.414 2.171 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[N@@H+](Cc2c(C)nn(C)c2Cl)CC1 ZINC000981993006 680260913 /nfs/dbraw/zinc/26/09/13/680260913.db2.gz UUKKCGLURYQOHD-ZBFHGGJFSA-N 1 2 366.893 2.007 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[N@H+](Cc2c(C)nn(C)c2Cl)CC1 ZINC000981993006 680260918 /nfs/dbraw/zinc/26/09/18/680260918.db2.gz UUKKCGLURYQOHD-ZBFHGGJFSA-N 1 2 366.893 2.007 20 30 FEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@H]([N@H+](C)Cc2cnns2)C1 ZINC001027607724 680361286 /nfs/dbraw/zinc/36/12/86/680361286.db2.gz DKBKWKGCAWXISZ-XIRDDKMYSA-N 1 2 364.515 2.332 20 30 FEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@H]([N@@H+](C)Cc2cnns2)C1 ZINC001027607724 680361287 /nfs/dbraw/zinc/36/12/87/680361287.db2.gz DKBKWKGCAWXISZ-XIRDDKMYSA-N 1 2 364.515 2.332 20 30 FEEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CN(c2ccccn2)C[C@H]1C ZINC001027889314 680361996 /nfs/dbraw/zinc/36/19/96/680361996.db2.gz PYZLPERGAILZQF-HYVNUMGLSA-N 1 2 362.905 2.487 20 30 FEEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CN(c2ccccn2)C[C@H]1C ZINC001027889314 680362001 /nfs/dbraw/zinc/36/20/01/680362001.db2.gz PYZLPERGAILZQF-HYVNUMGLSA-N 1 2 362.905 2.487 20 30 FEEDLO C=C(Br)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCO[C@H]1C(=C)C ZINC001028197422 680372525 /nfs/dbraw/zinc/37/25/25/680372525.db2.gz IIVZXBGBRYJKIQ-KKUMJFAQSA-N 1 2 357.292 2.457 20 30 FEEDLO C=C(Br)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCO[C@H]1C(=C)C ZINC001028197422 680372529 /nfs/dbraw/zinc/37/25/29/680372529.db2.gz IIVZXBGBRYJKIQ-KKUMJFAQSA-N 1 2 357.292 2.457 20 30 FEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[C@@H]2N2CCCC2=O)C1 ZINC001033165585 680419685 /nfs/dbraw/zinc/41/96/85/680419685.db2.gz NZPOHKWUONXMRY-ZACQAIPSSA-N 1 2 367.921 2.453 20 30 FEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[C@@H]2N2CCCC2=O)C1 ZINC001033165585 680419687 /nfs/dbraw/zinc/41/96/87/680419687.db2.gz NZPOHKWUONXMRY-ZACQAIPSSA-N 1 2 367.921 2.453 20 30 FEEDLO C=C(Br)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCO[C@H]2C2CC2)C1 ZINC001033282739 680421335 /nfs/dbraw/zinc/42/13/35/680421335.db2.gz KKJBBUHCHVKFNE-ZNMIVQPWSA-N 1 2 357.292 2.243 20 30 FEEDLO C=C(Br)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCO[C@H]2C2CC2)C1 ZINC001033282739 680421337 /nfs/dbraw/zinc/42/13/37/680421337.db2.gz KKJBBUHCHVKFNE-ZNMIVQPWSA-N 1 2 357.292 2.243 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1CC[NH+]([C@@H](C)c2nnc(C)s2)CC1 ZINC001001852843 680478772 /nfs/dbraw/zinc/47/87/72/680478772.db2.gz XPBJVQLOVROMTE-MAZHCROVSA-N 1 2 364.515 2.327 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC1CC[NH+](CC(=C)Br)CC1 ZINC001002848327 680510315 /nfs/dbraw/zinc/51/03/15/680510315.db2.gz JSFXTQYHKPXRAH-CABCVRRESA-N 1 2 357.292 2.457 20 30 FEEDLO O=C(N[C@H]1CCC[N@@H+](CC#Cc2cccc(Cl)c2)C1)[C@]12C[C@H]1COC2 ZINC001007381013 680639008 /nfs/dbraw/zinc/63/90/08/680639008.db2.gz WDVSAIAYOKRJGN-QRFRQXIXSA-N 1 2 358.869 2.309 20 30 FEEDLO O=C(N[C@H]1CCC[N@H+](CC#Cc2cccc(Cl)c2)C1)[C@]12C[C@H]1COC2 ZINC001007381013 680639010 /nfs/dbraw/zinc/63/90/10/680639010.db2.gz WDVSAIAYOKRJGN-QRFRQXIXSA-N 1 2 358.869 2.309 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000759854067 680670072 /nfs/dbraw/zinc/67/00/72/680670072.db2.gz QJYLDHPYZFOZHK-KRWDZBQOSA-N 1 2 355.841 2.060 20 30 FEEDLO C#CCCCSc1nnc([C@@H](CC)[NH+](C)C)n1CCN1CCOCC1 ZINC000766276839 680872666 /nfs/dbraw/zinc/87/26/66/680872666.db2.gz QGYSNTIEOJWRRS-MRXNPFEDSA-N 1 2 365.547 2.129 20 30 FEEDLO C#CCCC[NH+]1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000766895056 680891836 /nfs/dbraw/zinc/89/18/36/680891836.db2.gz IPUZDOHOKZUDGM-UHFFFAOYSA-N 1 2 371.300 2.169 20 30 FEEDLO C#CC[C@H]1NC(=O)N([C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)C1=O ZINC000842244036 680934452 /nfs/dbraw/zinc/93/44/52/680934452.db2.gz PGROYMAITKVYII-GOEBONIOSA-N 1 2 363.820 2.387 20 30 FEEDLO C#CC[C@H]1NC(=O)N([C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)C1=O ZINC000842244036 680934454 /nfs/dbraw/zinc/93/44/54/680934454.db2.gz PGROYMAITKVYII-GOEBONIOSA-N 1 2 363.820 2.387 20 30 FEEDLO C=C(Br)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1OCC[C@H]1C ZINC001049731072 681037618 /nfs/dbraw/zinc/03/76/18/681037618.db2.gz WYIXTFMFDSAREY-NGFQHRJXSA-N 1 2 357.292 2.385 20 30 FEEDLO C=C(Br)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1OCC[C@H]1C ZINC001049731072 681037619 /nfs/dbraw/zinc/03/76/19/681037619.db2.gz WYIXTFMFDSAREY-NGFQHRJXSA-N 1 2 357.292 2.385 20 30 FEEDLO C=C(Br)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1OCC[C@H]1C ZINC001049731071 681037770 /nfs/dbraw/zinc/03/77/70/681037770.db2.gz WYIXTFMFDSAREY-BEAPCOKYSA-N 1 2 357.292 2.385 20 30 FEEDLO C=C(Br)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1OCC[C@H]1C ZINC001049731071 681037772 /nfs/dbraw/zinc/03/77/72/681037772.db2.gz WYIXTFMFDSAREY-BEAPCOKYSA-N 1 2 357.292 2.385 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2Cc1nnc(C)s1 ZINC001049733628 681038063 /nfs/dbraw/zinc/03/80/63/681038063.db2.gz ZDLGWFPLEZYLRB-QXSJWSMHSA-N 1 2 362.499 2.003 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2Cc1nnc(C)s1 ZINC001049733628 681038065 /nfs/dbraw/zinc/03/80/65/681038065.db2.gz ZDLGWFPLEZYLRB-QXSJWSMHSA-N 1 2 362.499 2.003 20 30 FEEDLO C=CCNc1ncc(C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)s1 ZINC000771044612 681038664 /nfs/dbraw/zinc/03/86/64/681038664.db2.gz HSYBAEJREKSJGT-KGLIPLIRSA-N 1 2 350.488 2.114 20 30 FEEDLO C[S@](=O)CC[NH+]1CCN(c2c(C#N)cnc3ccc(Cl)cc32)CC1 ZINC000771146214 681043892 /nfs/dbraw/zinc/04/38/92/681043892.db2.gz MFZHDUROEGIEIY-DEOSSOPVSA-N 1 2 362.886 2.260 20 30 FEEDLO C#C[C@@H](NC(=O)N1CC[NH+](Cc2ccc(CC)s2)CC1)[C@H]1CCCO1 ZINC000773556498 681148116 /nfs/dbraw/zinc/14/81/16/681148116.db2.gz DFHIUJPFNYSJNW-QZTJIDSGSA-N 1 2 361.511 2.319 20 30 FEEDLO C#CCN1CCN(C(=O)C[NH2+]C2(c3c(Cl)cccc3Cl)CC2)CC1 ZINC000775553784 681313966 /nfs/dbraw/zinc/31/39/66/681313966.db2.gz QJFRKZUACDIKPC-UHFFFAOYSA-N 1 2 366.292 2.350 20 30 FEEDLO CN(CC(=O)N1CC[NH+](Cc2cccs2)CC1)Cc1cc(C#N)cs1 ZINC000933775696 681466970 /nfs/dbraw/zinc/46/69/70/681466970.db2.gz LHWSNRIKPSREBH-UHFFFAOYSA-N 1 2 374.535 2.457 20 30 FEEDLO N#Cc1cc(CS(=O)(=O)NCC[N@@H+]2CCc3sccc3C2)cs1 ZINC000913958387 685490332 /nfs/dbraw/zinc/49/03/32/685490332.db2.gz KCAHEERHPPEQMA-UHFFFAOYSA-N 1 2 367.521 2.159 20 30 FEEDLO N#Cc1cc(CS(=O)(=O)NCC[N@H+]2CCc3sccc3C2)cs1 ZINC000913958387 685490333 /nfs/dbraw/zinc/49/03/33/685490333.db2.gz KCAHEERHPPEQMA-UHFFFAOYSA-N 1 2 367.521 2.159 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCCCC[N@@H+]1Cc1cnns1 ZINC000968861445 682246416 /nfs/dbraw/zinc/24/64/16/682246416.db2.gz NFOYJZHHTQRBSI-OIISXLGYSA-N 1 2 364.515 2.380 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCCCC[N@H+]1Cc1cnns1 ZINC000968861445 682246421 /nfs/dbraw/zinc/24/64/21/682246421.db2.gz NFOYJZHHTQRBSI-OIISXLGYSA-N 1 2 364.515 2.380 20 30 FEEDLO C=C(Br)C[N@@H+]1CCCCC[C@H]1CNC(=O)[C@]12C[C@H]1COC2 ZINC000968863257 682246512 /nfs/dbraw/zinc/24/65/12/682246512.db2.gz BPTHGXREMZTQDK-DZKIICNBSA-N 1 2 357.292 2.292 20 30 FEEDLO C=C(Br)C[N@H+]1CCCCC[C@H]1CNC(=O)[C@]12C[C@H]1COC2 ZINC000968863257 682246518 /nfs/dbraw/zinc/24/65/18/682246518.db2.gz BPTHGXREMZTQDK-DZKIICNBSA-N 1 2 357.292 2.292 20 30 FEEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC([C@H]2CCCN(C(=O)C(F)(F)F)C2)CC1 ZINC000852600257 682306328 /nfs/dbraw/zinc/30/63/28/682306328.db2.gz GCJCADWNGJYIOA-KBPBESRZSA-N 1 2 362.392 2.227 20 30 FEEDLO COc1cc(C#N)ccc1OCC[N@H+](CCO)Cc1cccnc1Cl ZINC000796567797 683172369 /nfs/dbraw/zinc/17/23/69/683172369.db2.gz ZYNPGRIHDYUFQY-UHFFFAOYSA-N 1 2 361.829 2.489 20 30 FEEDLO COc1cc(C#N)ccc1OCC[N@@H+](CCO)Cc1cccnc1Cl ZINC000796567797 683172373 /nfs/dbraw/zinc/17/23/73/683172373.db2.gz ZYNPGRIHDYUFQY-UHFFFAOYSA-N 1 2 361.829 2.489 20 30 FEEDLO C=CCn1nnn(CN2CC[NH+](Cc3cccc(Cl)c3)CC2)c1=S ZINC000919935898 683307848 /nfs/dbraw/zinc/30/78/48/683307848.db2.gz IKEQDSHLPVKMQP-UHFFFAOYSA-N 1 2 364.906 2.424 20 30 FEEDLO C#CCC[C@H](O)CNC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000798444577 683348674 /nfs/dbraw/zinc/34/86/74/683348674.db2.gz UJCTUSNJFKTWLN-JQFCIGGWSA-N 1 2 367.852 2.298 20 30 FEEDLO C#CCC[C@H](O)CNC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000798444577 683348680 /nfs/dbraw/zinc/34/86/80/683348680.db2.gz UJCTUSNJFKTWLN-JQFCIGGWSA-N 1 2 367.852 2.298 20 30 FEEDLO CC(C)c1[nH+]ccn1CCNS(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000921533848 683495013 /nfs/dbraw/zinc/49/50/13/683495013.db2.gz YEMDZMPDQRFVFF-UHFFFAOYSA-N 1 2 354.382 2.135 20 30 FEEDLO C[N@H+](CCCOc1ccc(S(C)(=O)=O)cc1)Cc1cncc(C#N)c1 ZINC000929347548 683582638 /nfs/dbraw/zinc/58/26/38/683582638.db2.gz HPEFKYVBIVYPSG-UHFFFAOYSA-N 1 2 359.451 2.258 20 30 FEEDLO C[N@@H+](CCCOc1ccc(S(C)(=O)=O)cc1)Cc1cncc(C#N)c1 ZINC000929347548 683582642 /nfs/dbraw/zinc/58/26/42/683582642.db2.gz HPEFKYVBIVYPSG-UHFFFAOYSA-N 1 2 359.451 2.258 20 30 FEEDLO C#CCC[NH+]1CCN(C(=O)c2cnn(C(C)C)c2Br)CC1 ZINC000865086591 683933970 /nfs/dbraw/zinc/93/39/70/683933970.db2.gz XNUBYXFITZQKCE-UHFFFAOYSA-N 1 2 353.264 2.008 20 30 FEEDLO C=CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000931669629 684325018 /nfs/dbraw/zinc/32/50/18/684325018.db2.gz XOZBIKUDXWMQLZ-UKRRQHHQSA-N 1 2 364.515 2.072 20 30 FEEDLO C#C[C@@H](NC(=O)N[C@@H]1Cc2c[nH+]cn2C1)c1ccc(Br)cc1 ZINC000875724626 686071625 /nfs/dbraw/zinc/07/16/25/686071625.db2.gz FYPKLHQHUXDVGN-UKRRQHHQSA-N 1 2 359.227 2.244 20 30 FEEDLO N#Cc1cnc(Cl)c(C[NH+]2CCC(C(=O)Nc3nncs3)CC2)c1 ZINC000877522667 686400900 /nfs/dbraw/zinc/40/09/00/686400900.db2.gz RPVNFDCUCIXFNS-UHFFFAOYSA-N 1 2 362.846 2.309 20 30 FEEDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)NCc1ccc(SC)c(C#N)c1 ZINC000890448063 688921698 /nfs/dbraw/zinc/92/16/98/688921698.db2.gz PXXSARYUTJVLAR-MRXNPFEDSA-N 1 2 362.499 2.190 20 30 FEEDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)NCc1ccc(SC)c(C#N)c1 ZINC000890448063 688921703 /nfs/dbraw/zinc/92/17/03/688921703.db2.gz PXXSARYUTJVLAR-MRXNPFEDSA-N 1 2 362.499 2.190 20 30 FEEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000891607507 689083015 /nfs/dbraw/zinc/08/30/15/689083015.db2.gz NUMMICIAZGKQRO-GFCCVEGCSA-N 1 2 354.237 2.146 20 30 FEEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000891607507 689083018 /nfs/dbraw/zinc/08/30/18/689083018.db2.gz NUMMICIAZGKQRO-GFCCVEGCSA-N 1 2 354.237 2.146 20 30 FEEDLO O=C1[C@@H]([NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)CCCN1O ZINC000895166847 689670300 /nfs/dbraw/zinc/67/03/00/689670300.db2.gz SHUYDENZTUAAHS-LBPRGKRZSA-N 1 2 365.231 2.309 20 30 FEEDLO N#Cc1csc(C[NH2+][C@H](Cc2ccc(C(F)(F)F)cc2)C(N)=O)n1 ZINC000901652184 690673134 /nfs/dbraw/zinc/67/31/34/690673134.db2.gz DPCDZCJRRWMKAY-GFCCVEGCSA-N 1 2 354.357 2.220 20 30 FEEDLO C=CCOC(=O)[C@@H]([NH3+])Cc1nc(Cc2cc(Br)cs2)no1 ZINC000904116052 691004616 /nfs/dbraw/zinc/00/46/16/691004616.db2.gz GSWRFQDUQVSZTR-JTQLQIEISA-N 1 2 372.244 2.083 20 30 FEEDLO N#CC1(CCCCOC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CCC1 ZINC000909501844 691829668 /nfs/dbraw/zinc/82/96/68/691829668.db2.gz LCMQKNWSCJQPII-SJORKVTESA-N 1 2 350.459 2.274 20 30 FEEDLO C[C@@H](O)C[NH+]=c1[nH]c2ccccc2n1CC(=O)NCc1cccc(C#N)c1 ZINC000521148765 539514374 /nfs/dbraw/zinc/51/43/74/539514374.db2.gz TXAJBEGONCIEKW-CQSZACIVSA-N 1 2 363.421 2.017 20 30 FEEDLO C[C@@H]1C[C@@H](C)CN(C(=O)C[NH+]2CCN(Cc3ccc(C#N)cc3F)CC2)C1 ZINC000022848416 539700552 /nfs/dbraw/zinc/70/05/52/539700552.db2.gz UGSFHOXUKHATOE-IAGOWNOFSA-N 1 2 372.488 2.319 20 30 FEEDLO C[C@@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN(Cc3cc(C#N)ccc3F)CC2)C1 ZINC000022848201 539701023 /nfs/dbraw/zinc/70/10/23/539701023.db2.gz XOLZTFQPPSWPNI-CALCHBBNSA-N 1 2 372.488 2.319 20 30 FEEDLO CN(Cc1ccccc1)C(=O)CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000023257824 539710366 /nfs/dbraw/zinc/71/03/66/539710366.db2.gz WUGWHLYMPQVFOR-UHFFFAOYSA-N 1 2 362.477 2.334 20 30 FEEDLO CN(Cc1ccccc1)C(=O)C[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000023257824 539710370 /nfs/dbraw/zinc/71/03/70/539710370.db2.gz WUGWHLYMPQVFOR-UHFFFAOYSA-N 1 2 362.477 2.334 20 30 FEEDLO C[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)Cc1cccc(C#N)c1 ZINC000026328367 539783977 /nfs/dbraw/zinc/78/39/77/539783977.db2.gz LFKLDYNJHDXREJ-UHFFFAOYSA-N 1 2 350.378 2.488 20 30 FEEDLO C[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)Cc1cccc(C#N)c1 ZINC000026328367 539783982 /nfs/dbraw/zinc/78/39/82/539783982.db2.gz LFKLDYNJHDXREJ-UHFFFAOYSA-N 1 2 350.378 2.488 20 30 FEEDLO N#Cc1ccnc(N2CC[NH+]([C@H](C(=O)NC3CC3)c3ccccc3)CC2)c1 ZINC000029446306 539853547 /nfs/dbraw/zinc/85/35/47/539853547.db2.gz BCIGCQNDZCAQJZ-FQEVSTJZSA-N 1 2 361.449 2.095 20 30 FEEDLO CCC[N@H+](CC(=O)Nc1ccccc1C)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000031003114 539896329 /nfs/dbraw/zinc/89/63/29/539896329.db2.gz ZBLOTNAVPSZFOE-FQEVSTJZSA-N 1 2 356.470 2.454 20 30 FEEDLO CCC[N@@H+](CC(=O)Nc1ccccc1C)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000031003114 539896331 /nfs/dbraw/zinc/89/63/31/539896331.db2.gz ZBLOTNAVPSZFOE-FQEVSTJZSA-N 1 2 356.470 2.454 20 30 FEEDLO CC(=O)Nc1nc(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)cs1 ZINC000041106064 540012253 /nfs/dbraw/zinc/01/22/53/540012253.db2.gz YKURPXFEMVLSMV-UHFFFAOYSA-N 1 2 355.467 2.291 20 30 FEEDLO C=CCn1c(=O)c2ccc(C(=O)NCCC[N@@H+](C)C(C)C)cc2[nH]c1=S ZINC000041318877 540017132 /nfs/dbraw/zinc/01/71/32/540017132.db2.gz CVHDOCMXXFHIOF-UHFFFAOYSA-N 1 2 374.510 2.331 20 30 FEEDLO C=CCn1c(=O)c2ccc(C(=O)NCCC[N@H+](C)C(C)C)cc2[nH]c1=S ZINC000041318877 540017133 /nfs/dbraw/zinc/01/71/33/540017133.db2.gz CVHDOCMXXFHIOF-UHFFFAOYSA-N 1 2 374.510 2.331 20 30 FEEDLO COc1ccc([C@H](CNc2nnc(C)c(C)c2C#N)[NH+]2CCOCC2)cc1 ZINC000044711541 540137847 /nfs/dbraw/zinc/13/78/47/540137847.db2.gz CGVMBGRYIKKYOY-IBGZPJMESA-N 1 2 367.453 2.459 20 30 FEEDLO COc1cc(OC)cc([C@H](NC(=O)N(C)C[C@@H](C)C#N)c2[nH+]ccn2C)c1 ZINC000045310881 540209583 /nfs/dbraw/zinc/20/95/83/540209583.db2.gz VOVGYPOJFCPYFQ-GUYCJALGSA-N 1 2 371.441 2.328 20 30 FEEDLO N#Cc1ccc(CNC(=O)N2CCN(Cc3cn4ccccc4[nH+]3)CC2)cc1 ZINC000046046879 540239382 /nfs/dbraw/zinc/23/93/82/540239382.db2.gz BQJZMPIMQYFQCI-UHFFFAOYSA-N 1 2 374.448 2.233 20 30 FEEDLO CCNC(=O)c1cccc(NC(=O)C[N@H+](C)Cc2ccc(C#N)cc2)c1 ZINC000046527898 540261160 /nfs/dbraw/zinc/26/11/60/540261160.db2.gz ZJZMRFPJTTUEMA-UHFFFAOYSA-N 1 2 350.422 2.378 20 30 FEEDLO CCNC(=O)c1cccc(NC(=O)C[N@@H+](C)Cc2ccc(C#N)cc2)c1 ZINC000046527898 540261164 /nfs/dbraw/zinc/26/11/64/540261164.db2.gz ZJZMRFPJTTUEMA-UHFFFAOYSA-N 1 2 350.422 2.378 20 30 FEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN(C(=O)c2cc(C)oc2C)CC1 ZINC000052242310 540459847 /nfs/dbraw/zinc/45/98/47/540459847.db2.gz DOCPTFDHQFLCFF-MRXNPFEDSA-N 1 2 359.470 2.243 20 30 FEEDLO C=CCN(CC=C)C(=O)CN1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000052685326 540482197 /nfs/dbraw/zinc/48/21/97/540482197.db2.gz IZBQTTVBCLXWTF-UHFFFAOYSA-N 1 2 357.502 2.231 20 30 FEEDLO CCc1ccccc1NC(=O)CN(C)C(=O)[C@H](C)[NH+]1CCC(C#N)CC1 ZINC000057878615 540821272 /nfs/dbraw/zinc/82/12/72/540821272.db2.gz BCBKVXIOEYOQJB-HNNXBMFYSA-N 1 2 356.470 2.270 20 30 FEEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)Cc1cc(Br)ccc1F ZINC000063742072 541182793 /nfs/dbraw/zinc/18/27/93/541182793.db2.gz VBCJFSDZNYPACW-JTQLQIEISA-N 1 2 372.238 2.420 20 30 FEEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)Cc1cc(Br)ccc1F ZINC000063742072 541182798 /nfs/dbraw/zinc/18/27/98/541182798.db2.gz VBCJFSDZNYPACW-JTQLQIEISA-N 1 2 372.238 2.420 20 30 FEEDLO CC[N@@H+](CC(=O)NC1CCN(C(=O)C2CCCCC2)CC1)C[C@H](C)C#N ZINC000064248977 541196836 /nfs/dbraw/zinc/19/68/36/541196836.db2.gz SPMNXIIWNLPIAU-MRXNPFEDSA-N 1 2 362.518 2.155 20 30 FEEDLO CC[N@H+](CC(=O)NC1CCN(C(=O)C2CCCCC2)CC1)C[C@H](C)C#N ZINC000064248977 541196840 /nfs/dbraw/zinc/19/68/40/541196840.db2.gz SPMNXIIWNLPIAU-MRXNPFEDSA-N 1 2 362.518 2.155 20 30 FEEDLO C=CCNC(=O)CSc1nnc([C@H](C)[NH+](C)C)n1-c1ccc(F)cc1 ZINC000066316564 541300562 /nfs/dbraw/zinc/30/05/62/541300562.db2.gz ZJWVLJASNDYKPD-LBPRGKRZSA-N 1 2 363.462 2.423 20 30 FEEDLO C=CC[N@@H+](CCC(=O)Nc1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000067399981 541457080 /nfs/dbraw/zinc/45/70/80/541457080.db2.gz VOBWWAXKHJOXJG-ZDUSSCGKSA-N 1 2 356.875 2.344 20 30 FEEDLO C=CC[N@H+](CCC(=O)Nc1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000067399981 541457084 /nfs/dbraw/zinc/45/70/84/541457084.db2.gz VOBWWAXKHJOXJG-ZDUSSCGKSA-N 1 2 356.875 2.344 20 30 FEEDLO N#CCOc1ccc(CNC(=O)N2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000069828446 541717601 /nfs/dbraw/zinc/71/76/01/541717601.db2.gz NGKUUNSFGVXAQD-UHFFFAOYSA-N 1 2 365.437 2.011 20 30 FEEDLO N#CC1(C(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)CCCC1 ZINC000070783653 541743208 /nfs/dbraw/zinc/74/32/08/541743208.db2.gz APJKQPWSHIHCDH-UHFFFAOYSA-N 1 2 357.454 2.098 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)CSc1ccc2c(c1)CCC2 ZINC000070920482 541751567 /nfs/dbraw/zinc/75/15/67/541751567.db2.gz ZXOBYDGLGJVNJF-UHFFFAOYSA-N 1 2 373.522 2.342 20 30 FEEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000072768223 541862645 /nfs/dbraw/zinc/86/26/45/541862645.db2.gz GALJQIVASMSIHV-MRXNPFEDSA-N 1 2 374.510 2.037 20 30 FEEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000072768223 541862650 /nfs/dbraw/zinc/86/26/50/541862650.db2.gz GALJQIVASMSIHV-MRXNPFEDSA-N 1 2 374.510 2.037 20 30 FEEDLO N#CCSc1ccccc1NC(=O)CN1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000072768223 541862652 /nfs/dbraw/zinc/86/26/52/541862652.db2.gz GALJQIVASMSIHV-MRXNPFEDSA-N 1 2 374.510 2.037 20 30 FEEDLO COc1ccc(NC(=O)[C@@H](C)[NH+]2CCN(c3ncccc3C#N)CC2)cc1 ZINC000073108741 541919727 /nfs/dbraw/zinc/91/97/27/541919727.db2.gz YIIQJTXPPTYKSX-OAHLLOKOSA-N 1 2 365.437 2.111 20 30 FEEDLO C[C@H](C(=O)N[C@@H]1CCCC[C@H]1C)[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000073108398 541920121 /nfs/dbraw/zinc/92/01/21/541920121.db2.gz VHGODWWDYWATAF-JFIYKMOQSA-N 1 2 355.486 2.159 20 30 FEEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN(C(=O)c2ccc(OC)cc2)CC1 ZINC000074085237 542034371 /nfs/dbraw/zinc/03/43/71/542034371.db2.gz JATGWNZPYCAKLL-KRWDZBQOSA-N 1 2 371.481 2.042 20 30 FEEDLO N#Cc1ccc(-c2nnc(C[NH+]3CCC(N4CCCC4=O)CC3)o2)cc1 ZINC000075717362 542200714 /nfs/dbraw/zinc/20/07/14/542200714.db2.gz RFSNDBUNQPMRFE-UHFFFAOYSA-N 1 2 351.410 2.195 20 30 FEEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN(c2nc(CC)ns2)CC1 ZINC000076063537 542228796 /nfs/dbraw/zinc/22/87/96/542228796.db2.gz LKRUTMVZIWEBKU-AWEZNQCLSA-N 1 2 351.520 2.036 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)CCc1ccnc2ccccc12 ZINC000076587649 542296879 /nfs/dbraw/zinc/29/68/79/542296879.db2.gz SXVKCHGJBSWFDD-UHFFFAOYSA-N 1 2 366.465 2.242 20 30 FEEDLO N#Cc1cc(S(=O)(=O)NCCc2cn3c([nH+]2)CCCC3)ccc1Cl ZINC000077607090 542402480 /nfs/dbraw/zinc/40/24/80/542402480.db2.gz CXBZIRJUKPMRQH-UHFFFAOYSA-N 1 2 364.858 2.265 20 30 FEEDLO CCc1cc(N(C)CCCc2[nH]nc(N)c2C#N)nc(-c2ccncc2)[nH+]1 ZINC000078524822 542466470 /nfs/dbraw/zinc/46/64/70/542466470.db2.gz QKDJURFSOKNWOC-UHFFFAOYSA-N 1 2 362.441 2.347 20 30 FEEDLO C[C@H]1CCCN(C(=O)C2CCN(C(=O)C[N@H+](CCC#N)CC3CC3)CC2)C1 ZINC000081060548 542628126 /nfs/dbraw/zinc/62/81/26/542628126.db2.gz FBZHZXWMAXFSAK-KRWDZBQOSA-N 1 2 374.529 2.109 20 30 FEEDLO C[C@H]1CCCN(C(=O)C2CCN(C(=O)C[N@@H+](CCC#N)CC3CC3)CC2)C1 ZINC000081060548 542628131 /nfs/dbraw/zinc/62/81/31/542628131.db2.gz FBZHZXWMAXFSAK-KRWDZBQOSA-N 1 2 374.529 2.109 20 30 FEEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1CCC(c2nc[nH]n2)CC1 ZINC000083445179 542697701 /nfs/dbraw/zinc/69/77/01/542697701.db2.gz IWALXEZUNJPVDR-CQSZACIVSA-N 1 2 370.432 2.459 20 30 FEEDLO Cc1nc(CC(N)=[NH+]OCCCS(=O)(=O)c2ccc(C)cc2)cs1 ZINC000091595264 542815130 /nfs/dbraw/zinc/81/51/30/542815130.db2.gz GFGVNYMNSCQMHY-UHFFFAOYSA-N 1 2 367.496 2.455 20 30 FEEDLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(c2ccc3cc(C#N)ccc3n2)CC1 ZINC000092921084 542895230 /nfs/dbraw/zinc/89/52/30/542895230.db2.gz FNLOTUMPQOCHRM-MRXNPFEDSA-N 1 2 363.465 2.239 20 30 FEEDLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]1Cc1cccc(OCc2ccccc2C#N)c1 ZINC000093441542 542931358 /nfs/dbraw/zinc/93/13/58/542931358.db2.gz KHWADDBURIFKIU-ICSRJNTNSA-N 1 2 366.417 2.245 20 30 FEEDLO COC(=O)[C@@H]1C[C@H](O)C[N@H+]1Cc1cccc(OCc2ccccc2C#N)c1 ZINC000093441542 542931359 /nfs/dbraw/zinc/93/13/59/542931359.db2.gz KHWADDBURIFKIU-ICSRJNTNSA-N 1 2 366.417 2.245 20 30 FEEDLO CC(=O)Nc1ccc(C[N@@H+]2CCN(Cc3ccc(C#N)cc3)C(=O)C2)cc1 ZINC000093661294 542937303 /nfs/dbraw/zinc/93/73/03/542937303.db2.gz XEHDMWRTBPPQKA-UHFFFAOYSA-N 1 2 362.433 2.361 20 30 FEEDLO CC(=O)Nc1ccc(C[N@H+]2CCN(Cc3ccc(C#N)cc3)C(=O)C2)cc1 ZINC000093661294 542937306 /nfs/dbraw/zinc/93/73/06/542937306.db2.gz XEHDMWRTBPPQKA-UHFFFAOYSA-N 1 2 362.433 2.361 20 30 FEEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000106218484 543219283 /nfs/dbraw/zinc/21/92/83/543219283.db2.gz QNIXUHRJQQLBGY-STQMWFEESA-N 1 2 370.482 2.364 20 30 FEEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCC[C@H](n2cncn2)C1 ZINC000106218484 543219286 /nfs/dbraw/zinc/21/92/86/543219286.db2.gz QNIXUHRJQQLBGY-STQMWFEESA-N 1 2 370.482 2.364 20 30 FEEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000106582293 543239520 /nfs/dbraw/zinc/23/95/20/543239520.db2.gz HBRVKXFYJMMIPT-OAHLLOKOSA-N 1 2 359.474 2.103 20 30 FEEDLO CCN1CC[NH+]([C@@H]2CCN(C(=O)Nc3ccc(C#N)c(Cl)c3)C2)CC1 ZINC000106938693 543257177 /nfs/dbraw/zinc/25/71/77/543257177.db2.gz FTJHQZKWSVZOFX-MRXNPFEDSA-N 1 2 361.877 2.455 20 30 FEEDLO N#Cc1ccc(C(=O)N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)nc1 ZINC000107538107 543272521 /nfs/dbraw/zinc/27/25/21/543272521.db2.gz PNKKURHKPKBFEH-UHFFFAOYSA-N 1 2 370.840 2.443 20 30 FEEDLO CC(C)C[N@H+](CC(N)=O)CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000108358201 543287649 /nfs/dbraw/zinc/28/76/49/543287649.db2.gz HIMCXZHZHFPUCR-AWEZNQCLSA-N 1 2 362.499 2.463 20 30 FEEDLO CC(C)C[N@@H+](CC(N)=O)CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000108358201 543287651 /nfs/dbraw/zinc/28/76/51/543287651.db2.gz HIMCXZHZHFPUCR-AWEZNQCLSA-N 1 2 362.499 2.463 20 30 FEEDLO CC(C)(C)C[N@H+](CCC#N)CC(=O)N1CCC(C(=O)N2CCCC2)CC1 ZINC000109813943 543339866 /nfs/dbraw/zinc/33/98/66/543339866.db2.gz LAHQFRXWCHXERO-UHFFFAOYSA-N 1 2 362.518 2.109 20 30 FEEDLO CC(C)(C)C[N@@H+](CCC#N)CC(=O)N1CCC(C(=O)N2CCCC2)CC1 ZINC000109813943 543339867 /nfs/dbraw/zinc/33/98/67/543339867.db2.gz LAHQFRXWCHXERO-UHFFFAOYSA-N 1 2 362.518 2.109 20 30 FEEDLO N#Cc1ccc(SCC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)cc1 ZINC000110952778 543375177 /nfs/dbraw/zinc/37/51/77/543375177.db2.gz QLBLLUNBIKLUEC-KRWDZBQOSA-N 1 2 359.495 2.364 20 30 FEEDLO CC(C)(C)C[N@H+](CCC#N)CC(=O)NCCCN1CCCCCC1=O ZINC000111250177 543388860 /nfs/dbraw/zinc/38/88/60/543388860.db2.gz JKFQXAFSKXBXQD-UHFFFAOYSA-N 1 2 350.507 2.157 20 30 FEEDLO CC(C)(C)C[N@@H+](CCC#N)CC(=O)NCCCN1CCCCCC1=O ZINC000111250177 543388865 /nfs/dbraw/zinc/38/88/65/543388865.db2.gz JKFQXAFSKXBXQD-UHFFFAOYSA-N 1 2 350.507 2.157 20 30 FEEDLO CCN(CCC#N)C(=O)C[N@H+](C)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000111270581 543391114 /nfs/dbraw/zinc/39/11/14/543391114.db2.gz IQOXGTDUZHAIMX-INIZCTEOSA-N 1 2 362.861 2.139 20 30 FEEDLO CCN(CCC#N)C(=O)C[N@@H+](C)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000111270581 543391115 /nfs/dbraw/zinc/39/11/15/543391115.db2.gz IQOXGTDUZHAIMX-INIZCTEOSA-N 1 2 362.861 2.139 20 30 FEEDLO CC[C@@H]1COCC[N@@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000115573963 543574437 /nfs/dbraw/zinc/57/44/37/543574437.db2.gz YJRNTDJWBORDOS-MRXNPFEDSA-N 1 2 354.372 2.284 20 30 FEEDLO CC[C@@H]1COCC[N@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000115573963 543574441 /nfs/dbraw/zinc/57/44/41/543574441.db2.gz YJRNTDJWBORDOS-MRXNPFEDSA-N 1 2 354.372 2.284 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000115571349 543574681 /nfs/dbraw/zinc/57/46/81/543574681.db2.gz GEHZQAYSLPVXNJ-YLJYHZDGSA-N 1 2 356.470 2.168 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000115571349 543574684 /nfs/dbraw/zinc/57/46/84/543574684.db2.gz GEHZQAYSLPVXNJ-YLJYHZDGSA-N 1 2 356.470 2.168 20 30 FEEDLO CC[C@@H](C)NC(=O)c1cccc(C[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)c1 ZINC000115597277 543577973 /nfs/dbraw/zinc/57/79/73/543577973.db2.gz OWXYEIJYUOHEIB-KUHUBIRLSA-N 1 2 364.449 2.403 20 30 FEEDLO C[C@H]([NH2+][C@@H](C)c1nnnn1-c1ccccc1)C(=O)NC1(C#N)CCCCC1 ZINC000115604228 543577533 /nfs/dbraw/zinc/57/75/33/543577533.db2.gz WOHXACPFKBFQHS-GJZGRUSLSA-N 1 2 367.457 2.044 20 30 FEEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc(Cl)c3)n2CCOC)CC1 ZINC000802340095 674178312 /nfs/dbraw/zinc/17/83/12/674178312.db2.gz BMHKZPQMFLPUGF-UHFFFAOYSA-N 1 2 359.861 2.000 20 30 FEEDLO CCNC(=O)N1CC[NH+](Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000121561785 543696297 /nfs/dbraw/zinc/69/62/97/543696297.db2.gz DMYWOMAOCVNTCY-UHFFFAOYSA-N 1 2 366.469 2.311 20 30 FEEDLO C[C@@H](CC#N)NC(=O)C(=O)Nc1cccc(C[N@H+](C)Cc2cscn2)c1 ZINC000123247336 543750702 /nfs/dbraw/zinc/75/07/02/543750702.db2.gz VKOQWSJCCLAKFI-ZDUSSCGKSA-N 1 2 371.466 2.132 20 30 FEEDLO C[C@@H](CC#N)NC(=O)C(=O)Nc1cccc(C[N@@H+](C)Cc2cscn2)c1 ZINC000123247336 543750704 /nfs/dbraw/zinc/75/07/04/543750704.db2.gz VKOQWSJCCLAKFI-ZDUSSCGKSA-N 1 2 371.466 2.132 20 30 FEEDLO C[C@H](C[S@](C)=O)[N@H+](C)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000126119555 543919020 /nfs/dbraw/zinc/91/90/20/543919020.db2.gz DLUICAVAWPKGIG-JCQPUDPBSA-N 1 2 355.891 2.285 20 30 FEEDLO C[C@H](C[S@](C)=O)[N@@H+](C)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000126119555 543919021 /nfs/dbraw/zinc/91/90/21/543919021.db2.gz DLUICAVAWPKGIG-JCQPUDPBSA-N 1 2 355.891 2.285 20 30 FEEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+](C)CC(=O)NC(C)(C)C ZINC000127065268 543970730 /nfs/dbraw/zinc/97/07/30/543970730.db2.gz VDMIYDCRJIXRNY-XAUUPUKJSA-N 1 2 350.507 2.152 20 30 FEEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+](C)CC(=O)NC(C)(C)C ZINC000127065268 543970732 /nfs/dbraw/zinc/97/07/32/543970732.db2.gz VDMIYDCRJIXRNY-XAUUPUKJSA-N 1 2 350.507 2.152 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000126712286 543952563 /nfs/dbraw/zinc/95/25/63/543952563.db2.gz MLBTVGZOJBNZFN-HXUWFJFHSA-N 1 2 374.460 2.028 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000126712286 543952565 /nfs/dbraw/zinc/95/25/65/543952565.db2.gz MLBTVGZOJBNZFN-HXUWFJFHSA-N 1 2 374.460 2.028 20 30 FEEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+](C)Cc1cnn(C)c1 ZINC000126933872 543964172 /nfs/dbraw/zinc/96/41/72/543964172.db2.gz NTADGKSUMJRHIY-OAHLLOKOSA-N 1 2 355.442 2.196 20 30 FEEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)Cc1cnn(C)c1 ZINC000126933872 543964174 /nfs/dbraw/zinc/96/41/74/543964174.db2.gz NTADGKSUMJRHIY-OAHLLOKOSA-N 1 2 355.442 2.196 20 30 FEEDLO C[N@@H+]1CCO[C@@H]([C@H](NC(=O)c2ccc(C#N)cn2)c2ccc(Cl)cc2)C1 ZINC000126960497 543965978 /nfs/dbraw/zinc/96/59/78/543965978.db2.gz FYMKMWWHAQFKJO-QZTJIDSGSA-N 1 2 370.840 2.408 20 30 FEEDLO C[N@H+]1CCO[C@@H]([C@H](NC(=O)c2ccc(C#N)cn2)c2ccc(Cl)cc2)C1 ZINC000126960497 543965982 /nfs/dbraw/zinc/96/59/82/543965982.db2.gz FYMKMWWHAQFKJO-QZTJIDSGSA-N 1 2 370.840 2.408 20 30 FEEDLO COc1ccc(C[NH2+][C@H](c2nc(-c3nc[nH]n3)no2)C(C)C)cc1C#N ZINC000129132050 544092864 /nfs/dbraw/zinc/09/28/64/544092864.db2.gz BYSSNFMXTWDINZ-AWEZNQCLSA-N 1 2 353.386 2.222 20 30 FEEDLO C[N@H+](Cc1cccc(C#N)c1)[C@@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000129974575 544133830 /nfs/dbraw/zinc/13/38/30/544133830.db2.gz WIIWYCLIOFXJKW-QGZVFWFLSA-N 1 2 364.361 2.230 20 30 FEEDLO C[N@@H+](Cc1cccc(C#N)c1)[C@@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000129974575 544133833 /nfs/dbraw/zinc/13/38/33/544133833.db2.gz WIIWYCLIOFXJKW-QGZVFWFLSA-N 1 2 364.361 2.230 20 30 FEEDLO C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(CC#Cc2ccc(F)cc2)CC1 ZINC000132232089 544223966 /nfs/dbraw/zinc/22/39/66/544223966.db2.gz UJWJYRMZDRSFMT-GOSISDBHSA-N 1 2 357.473 2.196 20 30 FEEDLO CCNC(=O)C[N@H+](CC)[C@@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000133509187 544273051 /nfs/dbraw/zinc/27/30/51/544273051.db2.gz RGGYVVOQIQMXIP-KRWDZBQOSA-N 1 2 358.486 2.397 20 30 FEEDLO CCNC(=O)C[N@@H+](CC)[C@@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000133509187 544273053 /nfs/dbraw/zinc/27/30/53/544273053.db2.gz RGGYVVOQIQMXIP-KRWDZBQOSA-N 1 2 358.486 2.397 20 30 FEEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CCC[C@H](Oc2ccc(Cl)cn2)C1)C1CC1 ZINC000135334817 544342838 /nfs/dbraw/zinc/34/28/38/544342838.db2.gz PJFOCYXAEKGISZ-YJBOKZPZSA-N 1 2 362.861 2.387 20 30 FEEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CCC[C@H](Oc2ccc(Cl)cn2)C1)C1CC1 ZINC000135334817 544342840 /nfs/dbraw/zinc/34/28/40/544342840.db2.gz PJFOCYXAEKGISZ-YJBOKZPZSA-N 1 2 362.861 2.387 20 30 FEEDLO N#Cc1ccc(N2CC[C@@H]([NH+]3CCC([C@H](O)C(F)(F)F)CC3)C2=O)cc1 ZINC000141109732 544411359 /nfs/dbraw/zinc/41/13/59/544411359.db2.gz IRTUUWIARDNCTD-CVEARBPZSA-N 1 2 367.371 2.299 20 30 FEEDLO N#Cc1cc(NC(=O)C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)ccc1Cl ZINC000151369201 544532913 /nfs/dbraw/zinc/53/29/13/544532913.db2.gz JUKAUTCFCXQTFK-OAHLLOKOSA-N 1 2 370.796 2.225 20 30 FEEDLO CC[C@@H](C#N)Oc1cc(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)ccc1OC ZINC000152597004 544672675 /nfs/dbraw/zinc/67/26/75/544672675.db2.gz XXGVPZNDAWIDLM-RDJZCZTQSA-N 1 2 368.437 2.451 20 30 FEEDLO N#Cc1ccsc1N1CC[C@@H]([NH+]2CCC(N3CCCCC3=O)CC2)C1=O ZINC000153282809 544756291 /nfs/dbraw/zinc/75/62/91/544756291.db2.gz XDZFNZSUMVCVCO-MRXNPFEDSA-N 1 2 372.494 2.202 20 30 FEEDLO Cc1cccn2c(=O)cc(C[NH+]3CCN([C@H](C#N)c4ccccc4)CC3)nc12 ZINC000153861019 544832583 /nfs/dbraw/zinc/83/25/83/544832583.db2.gz BGWSLMMMSBTBDA-HXUWFJFHSA-N 1 2 373.460 2.385 20 30 FEEDLO N#Cc1ccc(Cl)cc1NC(=O)C[NH+]1CCC(OCCCO)CC1 ZINC000154940812 544968094 /nfs/dbraw/zinc/96/80/94/544968094.db2.gz JVXVXZNHLQJGAG-UHFFFAOYSA-N 1 2 351.834 2.014 20 30 FEEDLO C=CCOCC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000552807406 674226215 /nfs/dbraw/zinc/22/62/15/674226215.db2.gz DRBDECDFINKJKL-UHFFFAOYSA-N 1 2 368.231 2.470 20 30 FEEDLO COCCN(c1cc[nH+]cc1)S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000185197975 327905251 /nfs/dbraw/zinc/90/52/51/327905251.db2.gz MRRLLNGDVRJKPD-UHFFFAOYSA-N 1 2 351.815 2.448 20 30 FEEDLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)c3cccc(C#N)c3)c2)CC1 ZINC000187139210 328004277 /nfs/dbraw/zinc/00/42/77/328004277.db2.gz YTIJUGNMEZQMBV-UHFFFAOYSA-N 1 2 362.433 2.475 20 30 FEEDLO N#Cc1ccc(C2(C(=O)NCc3cc[nH+]c(N4CCOCC4)c3)CC2)cc1 ZINC000187774336 328045096 /nfs/dbraw/zinc/04/50/96/328045096.db2.gz SNGZZPHAPMYTDX-UHFFFAOYSA-N 1 2 362.433 2.138 20 30 FEEDLO C[NH+]1CCN(C(=O)C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)CC1 ZINC000188480436 328089696 /nfs/dbraw/zinc/08/96/96/328089696.db2.gz WSMZTIRBYUWXBK-UHFFFAOYSA-N 1 2 364.405 2.063 20 30 FEEDLO CC(C)C[C@@H]1C(=O)NCC[N@H+]1Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000189814466 328169408 /nfs/dbraw/zinc/16/94/08/328169408.db2.gz CATUUJDLGQIWOG-GOSISDBHSA-N 1 2 351.454 2.305 20 30 FEEDLO CC(C)C[C@@H]1C(=O)NCC[N@@H+]1Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000189814466 328169409 /nfs/dbraw/zinc/16/94/09/328169409.db2.gz CATUUJDLGQIWOG-GOSISDBHSA-N 1 2 351.454 2.305 20 30 FEEDLO Cc1cccc([C@@H](CNC(=O)c2ccc(C#N)c(O)c2)[NH+]2CCOCC2)c1 ZINC000190511452 328212840 /nfs/dbraw/zinc/21/28/40/328212840.db2.gz VIMSKJBKQNMKMZ-LJQANCHMSA-N 1 2 365.433 2.376 20 30 FEEDLO C[C@H]1C[N@H+](Cc2cccc(CNC(=O)c3ccc(C#N)c(O)c3)c2)CCO1 ZINC000191000510 328244753 /nfs/dbraw/zinc/24/47/53/328244753.db2.gz JBLZIGQNJMOYHG-HNNXBMFYSA-N 1 2 365.433 2.415 20 30 FEEDLO C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)c3ccc(C#N)c(O)c3)c2)CCO1 ZINC000191000510 328244754 /nfs/dbraw/zinc/24/47/54/328244754.db2.gz JBLZIGQNJMOYHG-HNNXBMFYSA-N 1 2 365.433 2.415 20 30 FEEDLO C[C@@H](C(=O)NC(C)(C)C)[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000027105287 324429866 /nfs/dbraw/zinc/42/98/66/324429866.db2.gz USFVJQJCPYWIPN-ZDUSSCGKSA-N 1 2 371.441 2.231 20 30 FEEDLO C[C@H]1C[NH+]=C(N2CCN(Cc3nnc(-c4ccc(C#N)cc4)o3)CC2)S1 ZINC000079496618 325093046 /nfs/dbraw/zinc/09/30/46/325093046.db2.gz ZYSIHMZHJRSHGM-ZDUSSCGKSA-N 1 2 368.466 2.217 20 30 FEEDLO N#Cc1ccc(N2CCN(C(=O)[C@@H]3CCCn4cc[nH+]c43)CC2)c(F)c1 ZINC000080612350 325137252 /nfs/dbraw/zinc/13/72/52/325137252.db2.gz YFGXIUHEZRURCW-OAHLLOKOSA-N 1 2 353.401 2.120 20 30 FEEDLO Cc1noc(C)c1C[NH+]1CCN(Cc2cnc3ccc(C#N)cn23)CC1 ZINC000091890515 325397578 /nfs/dbraw/zinc/39/75/78/325397578.db2.gz HDPWAOJECSJWCK-UHFFFAOYSA-N 1 2 350.426 2.129 20 30 FEEDLO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(Cc2cc(C#N)ccc2F)CC1 ZINC000103491928 325521883 /nfs/dbraw/zinc/52/18/83/325521883.db2.gz GVGXULDMYOPTSC-OAHLLOKOSA-N 1 2 358.461 2.262 20 30 FEEDLO Cc1cc(NC(=O)C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)n(C)n1 ZINC000104713645 325542875 /nfs/dbraw/zinc/54/28/75/325542875.db2.gz OQBVLGYMUOHFAM-UHFFFAOYSA-N 1 2 353.426 2.082 20 30 FEEDLO N#Cc1cccc(OC2CCN(C(=O)NCCCn3cc[nH+]c3)CC2)c1 ZINC000105062941 325554962 /nfs/dbraw/zinc/55/49/62/325554962.db2.gz BKOIUEZKGBUVKU-UHFFFAOYSA-N 1 2 353.426 2.398 20 30 FEEDLO Cc1cccc([C@@H](CNC(=O)c2ccc(C#N)cn2)[NH+]2CCOCC2)c1 ZINC000107449880 325628402 /nfs/dbraw/zinc/62/84/02/325628402.db2.gz XBLPGUXXOOHLSI-LJQANCHMSA-N 1 2 350.422 2.065 20 30 FEEDLO COC(=O)[C@H](c1ccccc1)[N@@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000117874478 326073373 /nfs/dbraw/zinc/07/33/73/326073373.db2.gz WKIMPEOZEOFZSU-SFHVURJKSA-N 1 2 350.422 2.380 20 30 FEEDLO COC(=O)[C@H](c1ccccc1)[N@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000117874478 326073375 /nfs/dbraw/zinc/07/33/75/326073375.db2.gz WKIMPEOZEOFZSU-SFHVURJKSA-N 1 2 350.422 2.380 20 30 FEEDLO C[C@H]1C[C@H](C)CN(C(=O)CN2CC[NH+](Cc3cc(C#N)cs3)CC2)C1 ZINC000121411564 326336989 /nfs/dbraw/zinc/33/69/89/326336989.db2.gz UPZMNFRJYVPHEC-HOTGVXAUSA-N 1 2 360.527 2.242 20 30 FEEDLO Cc1nc(CN2CCN(Cc3c[nH+]c4ccc(C#N)cn34)CC2)cs1 ZINC000123940096 326445033 /nfs/dbraw/zinc/44/50/33/326445033.db2.gz PQMDNKWZDKNQCX-UHFFFAOYSA-N 1 2 352.467 2.289 20 30 FEEDLO N#Cc1ccc(-c2nnc(CN3CC[NH+](Cc4cccnc4)CC3)o2)cc1 ZINC000125323149 326469660 /nfs/dbraw/zinc/46/96/60/326469660.db2.gz UMAUFHMHAOBYLQ-UHFFFAOYSA-N 1 2 360.421 2.321 20 30 FEEDLO N#Cc1cc(F)ccc1S(=O)(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000151778022 326690790 /nfs/dbraw/zinc/69/07/90/326690790.db2.gz CNEFVNGCCCLDCE-UHFFFAOYSA-N 1 2 373.453 2.246 20 30 FEEDLO N#Cc1cc(S(=O)(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)ccc1Cl ZINC000173731175 327279713 /nfs/dbraw/zinc/27/97/13/327279713.db2.gz VZABKDJKXJQDFK-CYBMUJFWSA-N 1 2 350.831 2.261 20 30 FEEDLO N#Cc1ccccc1Sc1ccc(C(=O)N2CC[NH+](CCO)CC2)cc1 ZINC000175020925 327368608 /nfs/dbraw/zinc/36/86/08/327368608.db2.gz HMKYQQDQBAACOR-UHFFFAOYSA-N 1 2 367.474 2.460 20 30 FEEDLO N#Cc1c[nH]c(C(=O)N2CCN(Cc3cn4cc(Cl)ccc4[nH+]3)CC2)c1 ZINC000175458444 327394045 /nfs/dbraw/zinc/39/40/45/327394045.db2.gz KUROPOGDWSEODH-UHFFFAOYSA-N 1 2 368.828 2.145 20 30 FEEDLO Cc1nnc(N2CC[NH+](Cc3cnn(-c4ccccc4)c3)CC2)c(C#N)c1C ZINC000263996635 328982799 /nfs/dbraw/zinc/98/27/99/328982799.db2.gz FJZFXUMOGKHRSA-UHFFFAOYSA-N 1 2 373.464 2.473 20 30 FEEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000264162505 328996414 /nfs/dbraw/zinc/99/64/14/328996414.db2.gz WRAATOUEVIJPSR-OAHLLOKOSA-N 1 2 353.426 2.396 20 30 FEEDLO CO[C@@H](C)c1noc(CN2CCC[N@H+](Cc3ccc(C#N)cc3F)CC2)n1 ZINC000267331295 329315554 /nfs/dbraw/zinc/31/55/54/329315554.db2.gz AFFVCVZTDDZSDL-AWEZNQCLSA-N 1 2 373.432 2.496 20 30 FEEDLO CO[C@@H](C)c1noc(CN2CCC[N@@H+](Cc3ccc(C#N)cc3F)CC2)n1 ZINC000267331295 329315555 /nfs/dbraw/zinc/31/55/55/329315555.db2.gz AFFVCVZTDDZSDL-AWEZNQCLSA-N 1 2 373.432 2.496 20 30 FEEDLO Cc1c(Cl)cnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)c1C#N ZINC000273324580 329855718 /nfs/dbraw/zinc/85/57/18/329855718.db2.gz KYIVWSCXCACEKC-AWEZNQCLSA-N 1 2 361.877 2.048 20 30 FEEDLO CCO[C@H]1C[C@@]([NH2+]CCC(=O)Nc2ccc(C#N)cc2)(C(=O)OC)C1(C)C ZINC000275568835 330064708 /nfs/dbraw/zinc/06/47/08/330064708.db2.gz OPPNZDBXIRFDJV-OXJNMPFZSA-N 1 2 373.453 2.223 20 30 FEEDLO Cn1cc[nH+]c1-c1cccc(CNS(=O)(=O)c2ccc(C#N)s2)c1 ZINC000367105083 330217322 /nfs/dbraw/zinc/21/73/22/330217322.db2.gz CLSKRUIIXCZRAN-UHFFFAOYSA-N 1 2 358.448 2.499 20 30 FEEDLO COC(=O)[C@]1(C(F)(F)F)CC[N@@H+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000375768041 330248782 /nfs/dbraw/zinc/24/87/82/330248782.db2.gz LEKUXXQBCPXADX-ZBEGNZNMSA-N 1 2 369.343 2.313 20 30 FEEDLO COC(=O)[C@]1(C(F)(F)F)CC[N@H+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000375768041 330248783 /nfs/dbraw/zinc/24/87/83/330248783.db2.gz LEKUXXQBCPXADX-ZBEGNZNMSA-N 1 2 369.343 2.313 20 30 FEEDLO C=CCOCC[NH+]1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000555336888 674357449 /nfs/dbraw/zinc/35/74/49/674357449.db2.gz JDHWULMPYNWGAA-UHFFFAOYSA-N 1 2 353.260 2.410 20 30 FEEDLO CC(C)COC1CC[NH+](CCS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000156675047 545646461 /nfs/dbraw/zinc/64/64/61/545646461.db2.gz OVKAMAIXXGORSD-UHFFFAOYSA-N 1 2 350.484 2.469 20 30 FEEDLO CO[C@@H]1CC[C@H]2OCC[N@H+](CC(=O)N(CCC#N)c3ccccc3)[C@@H]2C1 ZINC000158043244 545816326 /nfs/dbraw/zinc/81/63/26/545816326.db2.gz LZHJJFVOUMBWIJ-GUDVDZBRSA-N 1 2 357.454 2.202 20 30 FEEDLO CO[C@@H]1CC[C@H]2OCC[N@@H+](CC(=O)N(CCC#N)c3ccccc3)[C@@H]2C1 ZINC000158043244 545816332 /nfs/dbraw/zinc/81/63/32/545816332.db2.gz LZHJJFVOUMBWIJ-GUDVDZBRSA-N 1 2 357.454 2.202 20 30 FEEDLO C#CCCCCNC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000159727453 545975718 /nfs/dbraw/zinc/97/57/18/545975718.db2.gz KAYVFQSBGSCDAG-UHFFFAOYSA-N 1 2 356.470 2.192 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000162595556 546139906 /nfs/dbraw/zinc/13/99/06/546139906.db2.gz AFPSTMFUASUFBE-CVEARBPZSA-N 1 2 363.408 2.143 20 30 FEEDLO N#CC1(CS(=O)(=O)N[C@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)CC1 ZINC000165238437 546152166 /nfs/dbraw/zinc/15/21/66/546152166.db2.gz KPJCZJZYLHBGDG-ZDUSSCGKSA-N 1 2 369.437 2.152 20 30 FEEDLO N#CC1(CS(=O)(=O)N[C@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)CC1 ZINC000165238437 546152170 /nfs/dbraw/zinc/15/21/70/546152170.db2.gz KPJCZJZYLHBGDG-ZDUSSCGKSA-N 1 2 369.437 2.152 20 30 FEEDLO CC#CC[NH+]1CCN(CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000165328263 546153540 /nfs/dbraw/zinc/15/35/40/546153540.db2.gz JREMCMHLEZRDQJ-UHFFFAOYSA-N 1 2 350.260 2.029 20 30 FEEDLO CC(C)[C@H](NC(=O)CN(CCC#N)CC[NH+]1CCOCC1)c1ccccc1 ZINC000174831438 546303910 /nfs/dbraw/zinc/30/39/10/546303910.db2.gz VWGRUNWZDPLCRI-NRFANRHFSA-N 1 2 372.513 2.048 20 30 FEEDLO C[NH+](C)CCCNC(=O)C[C@@H]1S/C(=N/c2ccccc2Cl)NC1=O ZINC000174892482 546304603 /nfs/dbraw/zinc/30/46/03/546304603.db2.gz BQAQCPYVKVRAAI-ZDUSSCGKSA-N 1 2 368.890 2.017 20 30 FEEDLO Cn1cc(C#N)cc1C(=O)N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000176608118 546467139 /nfs/dbraw/zinc/46/71/39/546467139.db2.gz FNYHJTIOCSKZTD-UHFFFAOYSA-N 1 2 372.856 2.387 20 30 FEEDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)NCc2ccc(OCC#N)cc2)C1 ZINC000178065880 546733255 /nfs/dbraw/zinc/73/32/55/546733255.db2.gz FSJNEUYRIHYZCQ-KRWDZBQOSA-N 1 2 367.453 2.487 20 30 FEEDLO CC[C@H](C)NC(=O)[C@H](C)O[NH+]=C(N)c1cccc(Cn2nc(C)cc2C)c1 ZINC000178156382 546748132 /nfs/dbraw/zinc/74/81/32/546748132.db2.gz LUJQOCRCFZNTQZ-BBRMVZONSA-N 1 2 371.485 2.488 20 30 FEEDLO CC[C@@H](C)NC(=O)[C@@H](C)O[NH+]=C(N)c1cccc(Cn2nc(C)cc2C)c1 ZINC000178156340 546748152 /nfs/dbraw/zinc/74/81/52/546748152.db2.gz LUJQOCRCFZNTQZ-CZUORRHYSA-N 1 2 371.485 2.488 20 30 FEEDLO Cc1cccc(C[NH+]2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1O ZINC000179615078 546986795 /nfs/dbraw/zinc/98/67/95/546986795.db2.gz IXZXSTXJUOGTFU-UHFFFAOYSA-N 1 2 371.462 2.079 20 30 FEEDLO CCO[C@H](C)c1noc(CN2CC[NH+](Cc3ccc(C#N)s3)CC2)n1 ZINC000180007506 547038445 /nfs/dbraw/zinc/03/84/45/547038445.db2.gz CAUWTBILPHJTND-CYBMUJFWSA-N 1 2 361.471 2.418 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCO[C@@]3(CCOC3)C2)c1 ZINC000185217802 547954465 /nfs/dbraw/zinc/95/44/65/547954465.db2.gz XCMNGYDYRZYZIG-FQEVSTJZSA-N 1 2 357.454 2.041 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCO[C@@]3(CCOC3)C2)c1 ZINC000185217802 547954471 /nfs/dbraw/zinc/95/44/71/547954471.db2.gz XCMNGYDYRZYZIG-FQEVSTJZSA-N 1 2 357.454 2.041 20 30 FEEDLO COc1cc(C#N)ccc1S(=O)(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000185851032 548045581 /nfs/dbraw/zinc/04/55/81/548045581.db2.gz LJDNHTZBJMOIAX-HIFRSBDPSA-N 1 2 360.439 2.035 20 30 FEEDLO C=CC[C@@H](C(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1)c1ccccc1 ZINC000186234632 548104556 /nfs/dbraw/zinc/10/45/56/548104556.db2.gz BUQSCUIECVEIIC-LJQANCHMSA-N 1 2 355.482 2.113 20 30 FEEDLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](C#N)c1ccccc1F ZINC000485854135 561329794 /nfs/dbraw/zinc/32/97/94/561329794.db2.gz VMMJSOVUCVVWHF-DLBZAZTESA-N 1 2 371.416 2.003 20 30 FEEDLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](C#N)c1ccccc1F ZINC000485854135 561329795 /nfs/dbraw/zinc/32/97/95/561329795.db2.gz VMMJSOVUCVVWHF-DLBZAZTESA-N 1 2 371.416 2.003 20 30 FEEDLO Cc1cc(C)n(Cc2cccc(C(N)=[NH+]OCCOCC(F)F)c2)n1 ZINC000189261722 548299300 /nfs/dbraw/zinc/29/93/00/548299300.db2.gz DBOWEXZMYHFZIM-UHFFFAOYSA-N 1 2 352.385 2.467 20 30 FEEDLO CCCN1CCC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)CC1=O ZINC000189410685 548301635 /nfs/dbraw/zinc/30/16/35/548301635.db2.gz OZXZLQYPKZUGOV-QGZVFWFLSA-N 1 2 356.470 2.266 20 30 FEEDLO CCCN1CCC[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)CC1=O ZINC000189410685 548301639 /nfs/dbraw/zinc/30/16/39/548301639.db2.gz OZXZLQYPKZUGOV-QGZVFWFLSA-N 1 2 356.470 2.266 20 30 FEEDLO C[C@@H]1C[C@@H](C)CN(C(=O)C[NH+]2CCN(CC#Cc3ccccc3)CC2)C1 ZINC000191917898 548352742 /nfs/dbraw/zinc/35/27/42/548352742.db2.gz HHSNJOLUPYGSMT-WOJBJXKFSA-N 1 2 353.510 2.160 20 30 FEEDLO CCOC1CC(CNC(=O)Nc2ccc(CC#N)cc2)([NH+]2CCOCC2)C1 ZINC000193364349 548386916 /nfs/dbraw/zinc/38/69/16/548386916.db2.gz WNBNSASIWBBVMV-UHFFFAOYSA-N 1 2 372.469 2.144 20 30 FEEDLO C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)[N@@H+]1CC(=O)N(CCC#N)CCC#N ZINC000246047303 549041087 /nfs/dbraw/zinc/04/10/87/549041087.db2.gz BWVGBXNKEBBOOB-MBOZVWFJSA-N 1 2 354.454 2.493 20 30 FEEDLO C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)[N@H+]1CC(=O)N(CCC#N)CCC#N ZINC000246047303 549041089 /nfs/dbraw/zinc/04/10/89/549041089.db2.gz BWVGBXNKEBBOOB-MBOZVWFJSA-N 1 2 354.454 2.493 20 30 FEEDLO CCCC(=O)NC[C@H]1CCC[N@@H+]([C@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000246522966 549151870 /nfs/dbraw/zinc/15/18/70/549151870.db2.gz RIUGPWKQXMKKCV-ZBFHGGJFSA-N 1 2 374.510 2.353 20 30 FEEDLO CCCC(=O)NC[C@H]1CCC[N@H+]([C@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000246522966 549151872 /nfs/dbraw/zinc/15/18/72/549151872.db2.gz RIUGPWKQXMKKCV-ZBFHGGJFSA-N 1 2 374.510 2.353 20 30 FEEDLO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000247020142 549266118 /nfs/dbraw/zinc/26/61/18/549266118.db2.gz PBOLDVOQRNXCFQ-QRFRQXIXSA-N 1 2 371.481 2.141 20 30 FEEDLO C[C@H]1CCN(S(=O)(=O)c2c(F)cc(C#N)cc2F)C[C@H]1n1cc[nH+]c1 ZINC000247690915 549372405 /nfs/dbraw/zinc/37/24/05/549372405.db2.gz SPQJJAIJTZNOBI-XHDPSFHLSA-N 1 2 366.393 2.305 20 30 FEEDLO COCC[N@H+](CC(=O)NCc1ccc(C#N)cc1)Cc1scnc1C ZINC000489406030 561410279 /nfs/dbraw/zinc/41/02/79/561410279.db2.gz BVYQYGHFKVJKEF-UHFFFAOYSA-N 1 2 358.467 2.088 20 30 FEEDLO COCC[N@@H+](CC(=O)NCc1ccc(C#N)cc1)Cc1scnc1C ZINC000489406030 561410280 /nfs/dbraw/zinc/41/02/80/561410280.db2.gz BVYQYGHFKVJKEF-UHFFFAOYSA-N 1 2 358.467 2.088 20 30 FEEDLO C[N@@H+]1CCO[C@@H]([C@@H](NC(=O)c2ccnc(C#N)c2)c2ccc(Cl)cc2)C1 ZINC000248814422 549505846 /nfs/dbraw/zinc/50/58/46/549505846.db2.gz ABIKEYNFPSFQQC-MSOLQXFVSA-N 1 2 370.840 2.408 20 30 FEEDLO C[N@H+]1CCO[C@@H]([C@@H](NC(=O)c2ccnc(C#N)c2)c2ccc(Cl)cc2)C1 ZINC000248814422 549505850 /nfs/dbraw/zinc/50/58/50/549505850.db2.gz ABIKEYNFPSFQQC-MSOLQXFVSA-N 1 2 370.840 2.408 20 30 FEEDLO Cc1ncc(S(=O)(=O)NCc2cccc(-c3[nH]cc[nH+]3)c2)cc1C#N ZINC000489657217 561416367 /nfs/dbraw/zinc/41/63/67/561416367.db2.gz HOQJXRQNKTZAOE-UHFFFAOYSA-N 1 2 353.407 2.130 20 30 FEEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1C[C@@H](C)O[C@H](COC)C1 ZINC000251889528 549656820 /nfs/dbraw/zinc/65/68/20/549656820.db2.gz QFTXCSHFCSTJLV-PMPSAXMXSA-N 1 2 352.500 2.387 20 30 FEEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1C[C@@H](C)O[C@H](COC)C1 ZINC000251889528 549656826 /nfs/dbraw/zinc/65/68/26/549656826.db2.gz QFTXCSHFCSTJLV-PMPSAXMXSA-N 1 2 352.500 2.387 20 30 FEEDLO C=CC[C@H](C(=O)N[C@H]1CCCN(Cc2[nH+]ccn2C)C1=O)c1ccccc1 ZINC000490270991 561430027 /nfs/dbraw/zinc/43/00/27/561430027.db2.gz MLIZUJHFPKOXHA-ROUUACIJSA-N 1 2 366.465 2.387 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)N2CCC(n3cc[nH+]c3)CC2)cc1Cl ZINC000263691464 549920433 /nfs/dbraw/zinc/92/04/33/549920433.db2.gz HDTRPGPOAAEMNO-UHFFFAOYSA-N 1 2 350.831 2.434 20 30 FEEDLO Cn1cc[nH+]c1[C@@H](NS(=O)(=O)CCCCC#N)c1ccc(F)cc1 ZINC000264093726 549978331 /nfs/dbraw/zinc/97/83/31/549978331.db2.gz GOONAJDCMYCEDL-HNNXBMFYSA-N 1 2 350.419 2.262 20 30 FEEDLO C=C(C)CN(CC)C(=O)C[N@H+](CCO)Cc1cnn(Cc2ccccc2)c1 ZINC000264601405 549998348 /nfs/dbraw/zinc/99/83/48/549998348.db2.gz FEHSMIUZOAKIKL-UHFFFAOYSA-N 1 2 370.497 2.150 20 30 FEEDLO C=C(C)CN(CC)C(=O)C[N@@H+](CCO)Cc1cnn(Cc2ccccc2)c1 ZINC000264601405 549998353 /nfs/dbraw/zinc/99/83/53/549998353.db2.gz FEHSMIUZOAKIKL-UHFFFAOYSA-N 1 2 370.497 2.150 20 30 FEEDLO C#CCC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000265825865 550014415 /nfs/dbraw/zinc/01/44/15/550014415.db2.gz SCNYVWDMFPYGEK-UHFFFAOYSA-N 1 2 366.215 2.138 20 30 FEEDLO COc1ccccc1CN(C)C(=O)CO[NH+]=C(N)[C@@H](C)OCC(C)C ZINC000266203512 550018367 /nfs/dbraw/zinc/01/83/67/550018367.db2.gz LVIYBKXFFJKXJJ-CQSZACIVSA-N 1 2 351.447 2.004 20 30 FEEDLO CC(C)CO[C@H](C)C(N)=[NH+]O[C@@H](C)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000266227407 550018411 /nfs/dbraw/zinc/01/84/11/550018411.db2.gz SXWCZRVFFZCDMH-OLZOCXBDSA-N 1 2 365.430 2.135 20 30 FEEDLO CC(=O)Nc1cccc(NC(=O)[C@H](C)O[NH+]=C(N)[C@H](C)OCC(C)C)c1 ZINC000266187993 550018615 /nfs/dbraw/zinc/01/86/15/550018615.db2.gz HVGCGLDTNWCPDJ-STQMWFEESA-N 1 2 364.446 2.322 20 30 FEEDLO COc1ccccc1-c1noc([C@@H](C)[NH2+][C@H](C)C(=O)N(C)CCC#N)n1 ZINC000266576064 550021439 /nfs/dbraw/zinc/02/14/39/550021439.db2.gz LHIVLZKJBVTFED-CHWSQXEVSA-N 1 2 357.414 2.156 20 30 FEEDLO CCN(CC)C(=O)C[N@H+](C)[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000266622592 550022144 /nfs/dbraw/zinc/02/21/44/550022144.db2.gz GFUKRICCMWRYGM-OAHLLOKOSA-N 1 2 362.449 2.261 20 30 FEEDLO CCN(CC)C(=O)C[N@@H+](C)[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000266622592 550022148 /nfs/dbraw/zinc/02/21/48/550022148.db2.gz GFUKRICCMWRYGM-OAHLLOKOSA-N 1 2 362.449 2.261 20 30 FEEDLO C#CC[N@@H+](CC)Cc1nc2cc(S(=O)(=O)N(C)C)ccc2n1CCC ZINC000266909667 550025906 /nfs/dbraw/zinc/02/59/06/550025906.db2.gz IOCQWPWVAJUQEH-UHFFFAOYSA-N 1 2 362.499 2.152 20 30 FEEDLO C#CC[N@H+](CC)Cc1nc2cc(S(=O)(=O)N(C)C)ccc2n1CCC ZINC000266909667 550025908 /nfs/dbraw/zinc/02/59/08/550025908.db2.gz IOCQWPWVAJUQEH-UHFFFAOYSA-N 1 2 362.499 2.152 20 30 FEEDLO CC1(C)C[NH+]=C(N2CCN(C(=O)c3ccccc3OCC#N)CC2)S1 ZINC000267869664 550035215 /nfs/dbraw/zinc/03/52/15/550035215.db2.gz JVDDBWLBZHCFHE-UHFFFAOYSA-N 1 2 358.467 2.228 20 30 FEEDLO N#Cc1ccc(OCCNC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)cc1 ZINC000492307696 561450724 /nfs/dbraw/zinc/45/07/24/561450724.db2.gz IICFLDIPGISPFR-UHFFFAOYSA-N 1 2 362.393 2.399 20 30 FEEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cnc([C@H]2CCCO2)s1 ZINC000271323937 550364797 /nfs/dbraw/zinc/36/47/97/550364797.db2.gz ZKNZAVQTYJLOMI-XJKSGUPXSA-N 1 2 370.482 2.367 20 30 FEEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cnc([C@H]2CCCO2)s1 ZINC000271323937 550364799 /nfs/dbraw/zinc/36/47/99/550364799.db2.gz ZKNZAVQTYJLOMI-XJKSGUPXSA-N 1 2 370.482 2.367 20 30 FEEDLO C=CCS(=O)(=O)CCNC(=O)NC[C@@H](c1ccsc1)[NH+](CC)CC ZINC000272811349 550471951 /nfs/dbraw/zinc/47/19/51/550471951.db2.gz HAPUPJAAQWCCPG-HNNXBMFYSA-N 1 2 373.544 2.031 20 30 FEEDLO N#Cc1ncccc1S(=O)(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000276973705 550617224 /nfs/dbraw/zinc/61/72/24/550617224.db2.gz GCLGCJZOINFGPZ-OAHLLOKOSA-N 1 2 360.439 2.052 20 30 FEEDLO C[C@@H]([NH2+]CC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1nncn1C ZINC000494783984 561476372 /nfs/dbraw/zinc/47/63/72/561476372.db2.gz ISAMNWKCTVSWNM-QWHCGFSZSA-N 1 2 358.471 2.356 20 30 FEEDLO COc1cc(C#N)ccc1OCc1nc([C@H]2C[N@@H+]3CCCC[C@H]3CO2)no1 ZINC000278083133 550747052 /nfs/dbraw/zinc/74/70/52/550747052.db2.gz OCBSXEUEIOFRJD-WMLDXEAASA-N 1 2 370.409 2.455 20 30 FEEDLO COc1cc(C#N)ccc1OCc1nc([C@H]2C[N@H+]3CCCC[C@H]3CO2)no1 ZINC000278083133 550747053 /nfs/dbraw/zinc/74/70/53/550747053.db2.gz OCBSXEUEIOFRJD-WMLDXEAASA-N 1 2 370.409 2.455 20 30 FEEDLO N#Cc1ncccc1S(=O)(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278689568 550811562 /nfs/dbraw/zinc/81/15/62/550811562.db2.gz IYWJTZIWZOSJRP-UHFFFAOYSA-N 1 2 371.466 2.054 20 30 FEEDLO CC(C)[C@@H](CNC(=O)c1cc(-c2cccc(C#N)c2)no1)[NH+]1CCOCC1 ZINC000279021983 550847719 /nfs/dbraw/zinc/84/77/19/550847719.db2.gz UZNJFSOEADTZEZ-GOSISDBHSA-N 1 2 368.437 2.300 20 30 FEEDLO C[C@H](NC(=O)c1cc(-c2cccc(C#N)c2)no1)[C@H](C)[NH+]1CCOCC1 ZINC000279293050 550874470 /nfs/dbraw/zinc/87/44/70/550874470.db2.gz UTFUQJDLNZUZCZ-KBPBESRZSA-N 1 2 354.410 2.052 20 30 FEEDLO CCOC(=O)N1CC[NH+](Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000279480870 550895135 /nfs/dbraw/zinc/89/51/35/550895135.db2.gz WUPAIPASDGZRBI-UHFFFAOYSA-N 1 2 368.441 2.133 20 30 FEEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000280318386 550979983 /nfs/dbraw/zinc/97/99/83/550979983.db2.gz GXAAVTVSIPRJEN-SNUQEOBHSA-N 1 2 363.845 2.418 20 30 FEEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000280318386 550979985 /nfs/dbraw/zinc/97/99/85/550979985.db2.gz GXAAVTVSIPRJEN-SNUQEOBHSA-N 1 2 363.845 2.418 20 30 FEEDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)C(=O)Nc1ccc(C#N)cc1 ZINC000280552907 551006688 /nfs/dbraw/zinc/00/66/88/551006688.db2.gz IYGLQTUZIMCTNJ-MRXNPFEDSA-N 1 2 351.410 2.467 20 30 FEEDLO Cc1oc(C#N)cc1C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000280623032 551014699 /nfs/dbraw/zinc/01/46/99/551014699.db2.gz RWLFPVUCNZQJOE-UHFFFAOYSA-N 1 2 366.421 2.293 20 30 FEEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+](CCCO)Cc1ccccn1 ZINC000281149413 551068605 /nfs/dbraw/zinc/06/86/05/551068605.db2.gz ZRCDGLGWSLVIDK-UHFFFAOYSA-N 1 2 358.829 2.430 20 30 FEEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+](CCCO)Cc1ccccn1 ZINC000281149413 551068607 /nfs/dbraw/zinc/06/86/07/551068607.db2.gz ZRCDGLGWSLVIDK-UHFFFAOYSA-N 1 2 358.829 2.430 20 30 FEEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N(CCC#N)c2ccc(C)c(C)c2)C1=O ZINC000281296275 551082066 /nfs/dbraw/zinc/08/20/66/551082066.db2.gz JOENFBLPDGWBCQ-IBGZPJMESA-N 1 2 368.481 2.269 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N(CCC#N)c2ccc(C)c(C)c2)C1=O ZINC000281296275 551082068 /nfs/dbraw/zinc/08/20/68/551082068.db2.gz JOENFBLPDGWBCQ-IBGZPJMESA-N 1 2 368.481 2.269 20 30 FEEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)C1=O ZINC000281919066 551157878 /nfs/dbraw/zinc/15/78/78/551157878.db2.gz GZZOERISUIMOIW-CQSZACIVSA-N 1 2 371.359 2.242 20 30 FEEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)C1=O ZINC000281919066 551157882 /nfs/dbraw/zinc/15/78/82/551157882.db2.gz GZZOERISUIMOIW-CQSZACIVSA-N 1 2 371.359 2.242 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)Nc2cc(Cl)ccc2OC)C1=O ZINC000281929613 551159308 /nfs/dbraw/zinc/15/93/08/551159308.db2.gz HWANUOKVZRFXRT-AWEZNQCLSA-N 1 2 351.834 2.006 20 30 FEEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)Nc2cc(Cl)ccc2OC)C1=O ZINC000281929613 551159310 /nfs/dbraw/zinc/15/93/10/551159310.db2.gz HWANUOKVZRFXRT-AWEZNQCLSA-N 1 2 351.834 2.006 20 30 FEEDLO C[C@H](NC(=O)C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccc(C#N)cc1 ZINC000283928690 551451705 /nfs/dbraw/zinc/45/17/05/551451705.db2.gz JJAQWIBRKIOOIE-MPGHIAIKSA-N 1 2 365.437 2.042 20 30 FEEDLO C[C@@H](O[NH+]=C(N)[C@@H]1CCCO1)C(=O)Nc1cccc(Br)c1 ZINC000284378399 551536538 /nfs/dbraw/zinc/53/65/38/551536538.db2.gz LWZCSNKMUXECKA-SKDRFNHKSA-N 1 2 356.220 2.244 20 30 FEEDLO Cc1nnc(N(C)C[C@@H]2OCC[N@H+](C)[C@H]2c2ccccc2)c(C#N)c1C ZINC000284466655 551554735 /nfs/dbraw/zinc/55/47/35/551554735.db2.gz AYJLJPYWRZPBPR-OALUTQOASA-N 1 2 351.454 2.473 20 30 FEEDLO Cc1nnc(N(C)C[C@@H]2OCC[N@@H+](C)[C@H]2c2ccccc2)c(C#N)c1C ZINC000284466655 551554736 /nfs/dbraw/zinc/55/47/36/551554736.db2.gz AYJLJPYWRZPBPR-OALUTQOASA-N 1 2 351.454 2.473 20 30 FEEDLO C=C(C)CN(CC)C(=O)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1F ZINC000284478137 551557940 /nfs/dbraw/zinc/55/79/40/551557940.db2.gz XAXPRWIAIMAVAS-MRXNPFEDSA-N 1 2 358.417 2.189 20 30 FEEDLO N#Cc1ccc(N2CCC(C(=O)NCCCn3cc[nH+]c3)CC2)c(F)c1 ZINC000284910983 551665164 /nfs/dbraw/zinc/66/51/64/551665164.db2.gz BHTNZHNRDKLCKL-UHFFFAOYSA-N 1 2 355.417 2.317 20 30 FEEDLO C=CCCCCCCNC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000287776818 552045337 /nfs/dbraw/zinc/04/53/37/552045337.db2.gz ABOSCMLCLYEMKG-UHFFFAOYSA-N 1 2 371.489 2.331 20 30 FEEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@]2(Cc2ccccc2)C(=O)OCC)C1=O ZINC000499704819 561556719 /nfs/dbraw/zinc/55/67/19/561556719.db2.gz AXJXRQKUBVZGOI-NQIIRXRSSA-N 1 2 356.466 2.414 20 30 FEEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@]2(Cc2ccccc2)C(=O)OCC)C1=O ZINC000499704819 561556720 /nfs/dbraw/zinc/55/67/20/561556720.db2.gz AXJXRQKUBVZGOI-NQIIRXRSSA-N 1 2 356.466 2.414 20 30 FEEDLO C=CCN1CC[C@@H]([NH+]2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)C1=O ZINC000499770749 561558158 /nfs/dbraw/zinc/55/81/58/561558158.db2.gz GSUCBBCTBQXUNN-MSOLQXFVSA-N 1 2 358.873 2.309 20 30 FEEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C(=O)N2CCCCC2)c2ccccc2)C1=O ZINC000499996767 561563813 /nfs/dbraw/zinc/56/38/13/561563813.db2.gz CUJKZAPXWWKSME-RBUKOAKNSA-N 1 2 355.482 2.459 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C(=O)N2CCCCC2)c2ccccc2)C1=O ZINC000499996767 561563814 /nfs/dbraw/zinc/56/38/14/561563814.db2.gz CUJKZAPXWWKSME-RBUKOAKNSA-N 1 2 355.482 2.459 20 30 FEEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)Nc2ccnn2CC2CCCCC2)C1=O ZINC000500017492 561564108 /nfs/dbraw/zinc/56/41/08/561564108.db2.gz JFXODVPVEZTDTA-KRWDZBQOSA-N 1 2 373.501 2.121 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)Nc2ccnn2CC2CCCCC2)C1=O ZINC000500017492 561564109 /nfs/dbraw/zinc/56/41/09/561564109.db2.gz JFXODVPVEZTDTA-KRWDZBQOSA-N 1 2 373.501 2.121 20 30 FEEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](c2nc(=O)[nH][nH]2)C1 ZINC000289512741 552333359 /nfs/dbraw/zinc/33/33/59/552333359.db2.gz VCYHDXRCYCWGER-CYBMUJFWSA-N 1 2 373.482 2.194 20 30 FEEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](c2nc(=O)[nH][nH]2)C1 ZINC000289512741 552333362 /nfs/dbraw/zinc/33/33/62/552333362.db2.gz VCYHDXRCYCWGER-CYBMUJFWSA-N 1 2 373.482 2.194 20 30 FEEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CCC[C@@H](c2nc(=O)[nH][nH]2)C1 ZINC000289593319 552346686 /nfs/dbraw/zinc/34/66/86/552346686.db2.gz ZURDYPORENBEOJ-LLVKDONJSA-N 1 2 362.231 2.112 20 30 FEEDLO N#Cc1cc(Br)ccc1C[N@H+]1CCC[C@@H](c2nc(=O)[nH][nH]2)C1 ZINC000289593319 552346688 /nfs/dbraw/zinc/34/66/88/552346688.db2.gz ZURDYPORENBEOJ-LLVKDONJSA-N 1 2 362.231 2.112 20 30 FEEDLO C=CCCCCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000289620100 552351134 /nfs/dbraw/zinc/35/11/34/552351134.db2.gz LPHJIKWOMQJMLI-SJORKVTESA-N 1 2 365.424 2.299 20 30 FEEDLO C=CCCCCNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000289620100 552351135 /nfs/dbraw/zinc/35/11/35/552351135.db2.gz LPHJIKWOMQJMLI-SJORKVTESA-N 1 2 365.424 2.299 20 30 FEEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CCn2c[nH+]cc2C1 ZINC000290407095 552474608 /nfs/dbraw/zinc/47/46/08/552474608.db2.gz TZVYIFGCCWVMDI-ZDUSSCGKSA-N 1 2 369.450 2.116 20 30 FEEDLO C=CCn1cccc1C(=O)N[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C ZINC000501698168 561603784 /nfs/dbraw/zinc/60/37/84/561603784.db2.gz DMEBTQUDPOOTLQ-DNVCBOLYSA-N 1 2 367.453 2.032 20 30 FEEDLO C#CCC[NH+]1CCN(C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CC1 ZINC000294567068 552916389 /nfs/dbraw/zinc/91/63/89/552916389.db2.gz NWWBQGPTZODQSQ-UHFFFAOYSA-N 1 2 355.316 2.395 20 30 FEEDLO C[C@@H]1C[C@@H](C(F)(F)F)CC[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000295228370 552972583 /nfs/dbraw/zinc/97/25/83/552972583.db2.gz YTFIIJAETLPHKG-YPMHNXCESA-N 1 2 361.389 2.390 20 30 FEEDLO C[C@@H]1C[C@@H](C(F)(F)F)CC[N@H+]1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000295228370 552972584 /nfs/dbraw/zinc/97/25/84/552972584.db2.gz YTFIIJAETLPHKG-YPMHNXCESA-N 1 2 361.389 2.390 20 30 FEEDLO C[C@H](c1ccccc1)N(C)C(=O)C[N@H+](C)CC(=O)NC1(C#N)CCCCC1 ZINC000503207435 561636619 /nfs/dbraw/zinc/63/66/19/561636619.db2.gz JGHJKFPBTCMAJO-QGZVFWFLSA-N 1 2 370.497 2.480 20 30 FEEDLO C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)CC(=O)NC1(C#N)CCCCC1 ZINC000503207435 561636620 /nfs/dbraw/zinc/63/66/20/561636620.db2.gz JGHJKFPBTCMAJO-QGZVFWFLSA-N 1 2 370.497 2.480 20 30 FEEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)C(=O)Nc2ccc(-c3c[nH]cn3)cc2)C1=O ZINC000503270467 561638744 /nfs/dbraw/zinc/63/87/44/561638744.db2.gz KKRMWUIRGASROA-RDTXWAMCSA-N 1 2 367.453 2.122 20 30 FEEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](C)C(=O)Nc2ccc(-c3c[nH]cn3)cc2)C1=O ZINC000503270467 561638745 /nfs/dbraw/zinc/63/87/45/561638745.db2.gz KKRMWUIRGASROA-RDTXWAMCSA-N 1 2 367.453 2.122 20 30 FEEDLO CN(C)c1ccc(CNS(=O)(=O)c2ccc(C#N)cc2Cl)c[nH+]1 ZINC000503431478 561641138 /nfs/dbraw/zinc/64/11/38/561641138.db2.gz IIARVWMGZCRSRN-UHFFFAOYSA-N 1 2 350.831 2.151 20 30 FEEDLO N#CC[C@@H]1CC[C@H](NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000298542334 553438114 /nfs/dbraw/zinc/43/81/14/553438114.db2.gz WPHWWVSDBMMQJZ-LPHOPBHVSA-N 1 2 351.454 2.468 20 30 FEEDLO CN(C(=O)C[N@@H+]1CCCN(c2ccccc2C#N)CC1)c1nccs1 ZINC000298739110 553466198 /nfs/dbraw/zinc/46/61/98/553466198.db2.gz JETOYQVTXFADTJ-UHFFFAOYSA-N 1 2 355.467 2.190 20 30 FEEDLO CN(C(=O)C[N@H+]1CCCN(c2ccccc2C#N)CC1)c1nccs1 ZINC000298739110 553466200 /nfs/dbraw/zinc/46/62/00/553466200.db2.gz JETOYQVTXFADTJ-UHFFFAOYSA-N 1 2 355.467 2.190 20 30 FEEDLO CCn1cc[nH+]c1[C@@H](NC(=O)CNc1cccc(C#N)c1)C1CCOCC1 ZINC000503887298 561649351 /nfs/dbraw/zinc/64/93/51/561649351.db2.gz BNQCQMBKZCYDLD-IBGZPJMESA-N 1 2 367.453 2.471 20 30 FEEDLO C[C@@H]1C[C@@H](C)CN(C(=O)C[NH+]2CCN(c3ccc(F)cc3C#N)CC2)C1 ZINC000301156729 553626315 /nfs/dbraw/zinc/62/63/15/553626315.db2.gz ANQWYADWRPKNOZ-HZPDHXFCSA-N 1 2 358.461 2.324 20 30 FEEDLO CCOC(=O)C[N@@H+]1CCCN(c2ccc(Br)cc2C#N)CC1 ZINC000302200031 553710363 /nfs/dbraw/zinc/71/03/63/553710363.db2.gz UVNNACVXOLWBBN-UHFFFAOYSA-N 1 2 366.259 2.396 20 30 FEEDLO CCOC(=O)C[N@H+]1CCCN(c2ccc(Br)cc2C#N)CC1 ZINC000302200031 553710366 /nfs/dbraw/zinc/71/03/66/553710366.db2.gz UVNNACVXOLWBBN-UHFFFAOYSA-N 1 2 366.259 2.396 20 30 FEEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CCC[C@H](C(=O)N3CCCC3)C1)CCC2 ZINC000328655277 553802844 /nfs/dbraw/zinc/80/28/44/553802844.db2.gz MQWNIPKUBVIRIT-IRXDYDNUSA-N 1 2 373.501 2.317 20 30 FEEDLO Cn1cc(C[NH+]2CCN(C(=O)NC[C@H]3CCCC(F)(F)C3)CC2)cn1 ZINC000328688536 553807249 /nfs/dbraw/zinc/80/72/49/553807249.db2.gz CRDAYVIJBCNMCK-AWEZNQCLSA-N 1 2 355.433 2.277 20 30 FEEDLO Cn1cc[nH+]c1[C@H]1CN(C(=O)Nc2nccn2-c2ccccc2)CCN1C ZINC000328713762 553811328 /nfs/dbraw/zinc/81/13/28/553811328.db2.gz CBTAIRNHIRGVCI-MRXNPFEDSA-N 1 2 365.441 2.140 20 30 FEEDLO Cc1cc(NC(=O)N2C[C@@H]3COC[C@H](C2)O3)c[nH+]c1N1CCCC[C@H]1C ZINC000328741497 553815296 /nfs/dbraw/zinc/81/52/96/553815296.db2.gz MJGKYSWMYKSHLG-OIISXLGYSA-N 1 2 360.458 2.414 20 30 FEEDLO C[C@](O)(CNC(=O)c1coc(C2CCCCC2)n1)C[NH+]1CCOCC1 ZINC000328743760 553815486 /nfs/dbraw/zinc/81/54/86/553815486.db2.gz NPUDIOONGXRWCW-SFHVURJKSA-N 1 2 351.447 2.110 20 30 FEEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)C1=O ZINC000329027168 553867352 /nfs/dbraw/zinc/86/73/52/553867352.db2.gz KBVQGJIFOFWFIA-KGLIPLIRSA-N 1 2 369.450 2.475 20 30 FEEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)C1=O ZINC000329027168 553867353 /nfs/dbraw/zinc/86/73/53/553867353.db2.gz KBVQGJIFOFWFIA-KGLIPLIRSA-N 1 2 369.450 2.475 20 30 FEEDLO COc1cc(Br)cc(NC(=O)N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)c1 ZINC000329130008 553885887 /nfs/dbraw/zinc/88/58/87/553885887.db2.gz OCPDTBJNLGCAPV-ZIAGYGMSSA-N 1 2 370.247 2.018 20 30 FEEDLO COc1cc(Br)cc(NC(=O)N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)c1 ZINC000329130008 553885889 /nfs/dbraw/zinc/88/58/89/553885889.db2.gz OCPDTBJNLGCAPV-ZIAGYGMSSA-N 1 2 370.247 2.018 20 30 FEEDLO Cc1nn(C)c(C)c1[C@H]1COCCN1C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000329147488 553889199 /nfs/dbraw/zinc/88/91/99/553889199.db2.gz OZIGJLUVFOKKDP-MRXNPFEDSA-N 1 2 372.473 2.057 20 30 FEEDLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)N1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000329286708 553917803 /nfs/dbraw/zinc/91/78/03/553917803.db2.gz PKULMRIOBSZLHZ-MSOLQXFVSA-N 1 2 356.426 2.166 20 30 FEEDLO CC[C@@H]1CN(C(=O)N[C@H](c2[nH+]ccn2C)C2CCOCC2)CCCO1 ZINC000329319634 553924722 /nfs/dbraw/zinc/92/47/22/553924722.db2.gz IQKMBCGKKTXYTM-CVEARBPZSA-N 1 2 350.463 2.303 20 30 FEEDLO C[C@H](CC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C)NC(=O)C1CCCC1 ZINC000329402477 553939605 /nfs/dbraw/zinc/93/96/05/553939605.db2.gz WLUIQASVBQCACD-BFYDXBDKSA-N 1 2 351.491 2.233 20 30 FEEDLO COc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000329403645 553940038 /nfs/dbraw/zinc/94/00/38/553940038.db2.gz CEJZYHBFQOFFTR-OCCSQVGLSA-N 1 2 353.850 2.342 20 30 FEEDLO COc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000329403645 553940042 /nfs/dbraw/zinc/94/00/42/553940042.db2.gz CEJZYHBFQOFFTR-OCCSQVGLSA-N 1 2 353.850 2.342 20 30 FEEDLO CC(C)C[C@@H]1C[C@H](NC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)CCO1 ZINC000329492396 553957267 /nfs/dbraw/zinc/95/72/67/553957267.db2.gz WCGSNWDRRBBFSB-KZNAEPCWSA-N 1 2 353.507 2.291 20 30 FEEDLO Cn1nnc2cc(C(=O)N[C@H]3CCc4[nH+]c(C(C)(C)C)cn4C3)cnc21 ZINC000329596755 553973581 /nfs/dbraw/zinc/97/35/81/553973581.db2.gz PGRKRGORAICGEI-LBPRGKRZSA-N 1 2 353.430 2.177 20 30 FEEDLO Cc1cccc2c1OC[C@H](NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)C2 ZINC000329605565 553975613 /nfs/dbraw/zinc/97/56/13/553975613.db2.gz HMJSHKPOZKMDKE-QZTJIDSGSA-N 1 2 359.470 2.009 20 30 FEEDLO C[C@@H]1[C@H](C)[S@@](=O)CCN1C([O-])=[NH+][C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000329653696 553982878 /nfs/dbraw/zinc/98/28/78/553982878.db2.gz DXCHLMGYAVXPDE-NDNZESCASA-N 1 2 366.531 2.251 20 30 FEEDLO Cc1cc[nH+]cc1N1CCN(S(=O)(=O)CC2(C#N)CCCCC2)CC1 ZINC000329678093 553987123 /nfs/dbraw/zinc/98/71/23/553987123.db2.gz VIVDTWCTDJVFFE-UHFFFAOYSA-N 1 2 362.499 2.316 20 30 FEEDLO O=C(Nc1ccc2[nH]c(N3CCOCC3)[nH+]c2c1)[C@@H]1OC[C@H]2COCC[C@H]21 ZINC000329781944 554004640 /nfs/dbraw/zinc/00/46/40/554004640.db2.gz NODLWMRAXBMFHT-SUYBPPKGSA-N 1 2 372.425 2.039 20 30 FEEDLO Cn1cc[nH+]c1[C@H]1CN(CC(=O)Nc2nc3c(s2)CCCC3)CCN1C ZINC000329895363 554026508 /nfs/dbraw/zinc/02/65/08/554026508.db2.gz BUCLPYMQRCTKNH-CQSZACIVSA-N 1 2 374.514 2.332 20 30 FEEDLO CC[C@@H]1OCCC[C@@H]1C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000329899254 554027645 /nfs/dbraw/zinc/02/76/45/554027645.db2.gz MUOLQDXESRUEST-IRXDYDNUSA-N 1 2 374.485 2.282 20 30 FEEDLO Cc1cc(C[N@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)NC[C@H]2CCCCO2)on1 ZINC000329915296 554031085 /nfs/dbraw/zinc/03/10/85/554031085.db2.gz POQLYOJOIVMENJ-HRCADAONSA-N 1 2 368.453 2.310 20 30 FEEDLO Cc1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)NC[C@H]2CCCCO2)on1 ZINC000329915296 554031088 /nfs/dbraw/zinc/03/10/88/554031088.db2.gz POQLYOJOIVMENJ-HRCADAONSA-N 1 2 368.453 2.310 20 30 FEEDLO Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1CNC(=O)c1ccc2c(c1)N(C)CC2 ZINC000329935652 554034950 /nfs/dbraw/zinc/03/49/50/554034950.db2.gz KNCZZBSOBRMKKR-IRXDYDNUSA-N 1 2 371.460 2.330 20 30 FEEDLO CC(=O)N1CC[C@H](C(=O)NC[C@@H]2C[C@H](F)C[N@@H+]2Cc2c(C)noc2C)C1 ZINC000329976049 554042377 /nfs/dbraw/zinc/04/23/77/554042377.db2.gz DYPGAATUOOBZJT-JYJNAYRXSA-N 1 2 366.437 2.029 20 30 FEEDLO CC(=O)N1CC[C@H](C(=O)NC[C@@H]2C[C@H](F)C[N@H+]2Cc2c(C)noc2C)C1 ZINC000329976049 554042379 /nfs/dbraw/zinc/04/23/79/554042379.db2.gz DYPGAATUOOBZJT-JYJNAYRXSA-N 1 2 366.437 2.029 20 30 FEEDLO C[C@@H]1CCCC[C@@H]1OCCNC(=O)N1CCN(C)[C@H](c2[nH+]ccn2C)C1 ZINC000329984026 554043989 /nfs/dbraw/zinc/04/39/89/554043989.db2.gz BTQGTDUBJAYMRF-IKGGRYGDSA-N 1 2 363.506 2.218 20 30 FEEDLO Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1CNC(=O)N[C@H]1CCCC1(C)C ZINC000329987818 554044578 /nfs/dbraw/zinc/04/45/78/554044578.db2.gz SWNIGJHRYHIZOD-KKUMJFAQSA-N 1 2 351.470 2.415 20 30 FEEDLO Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNC(=O)[C@@H]1CCN(C)C(=O)C1 ZINC000329993840 554045675 /nfs/dbraw/zinc/04/56/75/554045675.db2.gz YTBXQQXKSAKTEO-ILXRZTDVSA-N 1 2 366.437 2.029 20 30 FEEDLO Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNC(=O)[C@@H]1CCN(C)C(=O)C1 ZINC000329993840 554045677 /nfs/dbraw/zinc/04/56/77/554045677.db2.gz YTBXQQXKSAKTEO-ILXRZTDVSA-N 1 2 366.437 2.029 20 30 FEEDLO Cc1cn2c([nH+]1)[C@@H](CNS(=O)(=O)CC1(C#N)CCCCC1)CCC2 ZINC000330001806 554047380 /nfs/dbraw/zinc/04/73/80/554047380.db2.gz AOYSSSQAGTXUAH-OAHLLOKOSA-N 1 2 350.488 2.462 20 30 FEEDLO Cc1[nH+]c2ccccc2n1C1CCN(C(=O)NC[C@H]2COCCO2)CC1 ZINC000330001042 554047359 /nfs/dbraw/zinc/04/73/59/554047359.db2.gz XMWYNNWBIAHJIQ-INIZCTEOSA-N 1 2 358.442 2.311 20 30 FEEDLO O=C(Nc1cccc(C[NH+]2CCC(O)CC2)c1)[C@@H]1CCCCS1(=O)=O ZINC000330043774 554053898 /nfs/dbraw/zinc/05/38/98/554053898.db2.gz COHDRVXTDJYUTG-KRWDZBQOSA-N 1 2 366.483 2.199 20 30 FEEDLO CC1(C)COCC[N@@H+]1CCNC(=O)NC[C@@H]1CCC2(CCCCC2)O1 ZINC000330047558 554054615 /nfs/dbraw/zinc/05/46/15/554054615.db2.gz HTUZPSFDWAQSGT-INIZCTEOSA-N 1 2 353.507 2.483 20 30 FEEDLO CC1(C)COCC[N@H+]1CCNC(=O)NC[C@@H]1CCC2(CCCCC2)O1 ZINC000330047558 554054617 /nfs/dbraw/zinc/05/46/17/554054617.db2.gz HTUZPSFDWAQSGT-INIZCTEOSA-N 1 2 353.507 2.483 20 30 FEEDLO C=CCn1c(-c2ccccc2C)nnc1S(=O)(=O)Cc1c[nH+]cn1C ZINC000507530110 561732078 /nfs/dbraw/zinc/73/20/78/561732078.db2.gz KNRRUGXNXSBYEG-UHFFFAOYSA-N 1 2 357.439 2.147 20 30 FEEDLO C[C@@H]1C[N@H+](CC(=O)Nc2ccc3c(c2)OCCCO3)C[C@@]2(CCOC2)O1 ZINC000330077727 554060660 /nfs/dbraw/zinc/06/06/60/554060660.db2.gz NEVSQMWGTDXWLC-AUUYWEPGSA-N 1 2 362.426 2.316 20 30 FEEDLO C[C@@H]1C[N@@H+](CC(=O)Nc2ccc3c(c2)OCCCO3)C[C@@]2(CCOC2)O1 ZINC000330077727 554060662 /nfs/dbraw/zinc/06/06/62/554060662.db2.gz NEVSQMWGTDXWLC-AUUYWEPGSA-N 1 2 362.426 2.316 20 30 FEEDLO C[C@@H]1C[N@H+](CC(=O)Nc2ccc3c(c2)OCCCO3)C[C@]2(CCOC2)O1 ZINC000330077729 554060789 /nfs/dbraw/zinc/06/07/89/554060789.db2.gz NEVSQMWGTDXWLC-KUHUBIRLSA-N 1 2 362.426 2.316 20 30 FEEDLO C[C@@H]1C[N@@H+](CC(=O)Nc2ccc3c(c2)OCCCO3)C[C@]2(CCOC2)O1 ZINC000330077729 554060790 /nfs/dbraw/zinc/06/07/90/554060790.db2.gz NEVSQMWGTDXWLC-KUHUBIRLSA-N 1 2 362.426 2.316 20 30 FEEDLO C[C@H]1CCCCN(C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)C1 ZINC000330171724 554077919 /nfs/dbraw/zinc/07/79/19/554077919.db2.gz XNOZMKMKESQWSD-HNNXBMFYSA-N 1 2 359.474 2.137 20 30 FEEDLO CN(C)c1[nH+]cccc1O[C@@H]1CCN(C(=O)N[C@H]2CCCSC2)C1 ZINC000330205067 554084945 /nfs/dbraw/zinc/08/49/45/554084945.db2.gz DDCVYSGUCHMYJS-UONOGXRCSA-N 1 2 350.488 2.410 20 30 FEEDLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)N[C@H]2CCOC3(CCCC3)C2)CC1 ZINC000330223100 554088166 /nfs/dbraw/zinc/08/81/66/554088166.db2.gz MWEMEEWRJLPULW-AWEZNQCLSA-N 1 2 352.479 2.324 20 30 FEEDLO Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)[N@@H+]1C[C@@H]2OCCN(C)[C@H]2C1 ZINC000330274844 554097729 /nfs/dbraw/zinc/09/77/29/554097729.db2.gz KSOXICSTQDYQRN-ULQDDVLXSA-N 1 2 374.485 2.251 20 30 FEEDLO Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)[N@H+]1C[C@@H]2OCCN(C)[C@H]2C1 ZINC000330274844 554097730 /nfs/dbraw/zinc/09/77/30/554097730.db2.gz KSOXICSTQDYQRN-ULQDDVLXSA-N 1 2 374.485 2.251 20 30 FEEDLO CCC1CCC2(CC1)NC(=O)N(CC(=O)N[C@@H]1CCn3cc[nH+]c3C1)C2=O ZINC000330325135 554105451 /nfs/dbraw/zinc/10/54/51/554105451.db2.gz UMNWOWLUSULYHU-SHYRYGCCSA-N 1 2 373.457 2.250 20 30 FEEDLO Cn1cc[nH+]c1[C@H]1CN(C(=O)Nc2cnc3c(c2)CCCC3)CCN1C ZINC000330339711 554107839 /nfs/dbraw/zinc/10/78/39/554107839.db2.gz WZJCCNWQKASGBF-QGZVFWFLSA-N 1 2 354.458 2.228 20 30 FEEDLO CO[C@]1(C)C[C@H](NC(=O)N[C@@H]2CCO[C@H](c3c[nH+]cn3C)C2)C1(C)C ZINC000330341456 554108182 /nfs/dbraw/zinc/10/81/82/554108182.db2.gz ZGMIMRYRVXVJEP-OYUZRVEBSA-N 1 2 350.463 2.347 20 30 FEEDLO Cc1ccc(NC(=O)NC(=O)C[N@@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)c(C)c1 ZINC000330670987 554154976 /nfs/dbraw/zinc/15/49/76/554154976.db2.gz DWNOZYHATWRGAP-UKRRQHHQSA-N 1 2 373.375 2.353 20 30 FEEDLO Cc1ccc(NC(=O)NC(=O)C[N@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)c(C)c1 ZINC000330670987 554154978 /nfs/dbraw/zinc/15/49/78/554154978.db2.gz DWNOZYHATWRGAP-UKRRQHHQSA-N 1 2 373.375 2.353 20 30 FEEDLO CC(C)CNC(=O)NC(=O)[C@@H](C)[NH+]1CCN(c2cccc(F)c2F)CC1 ZINC000330800889 554173639 /nfs/dbraw/zinc/17/36/39/554173639.db2.gz IRPOKHNUKHMSEN-CYBMUJFWSA-N 1 2 368.428 2.162 20 30 FEEDLO C=CCn1c(C(C)C)nnc1N1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000508910146 561777961 /nfs/dbraw/zinc/77/79/61/561777961.db2.gz AFIGDOVPDDRFLX-UHFFFAOYSA-N 1 2 368.485 2.348 20 30 FEEDLO Cc1cc(N2CCN(C(=O)N[C@H]3CCC[C@H]3C#N)CC2)nc(C(C)C)[nH+]1 ZINC000332197253 554398888 /nfs/dbraw/zinc/39/88/88/554398888.db2.gz ZCDIUUCZYGLRAE-HOTGVXAUSA-N 1 2 356.474 2.432 20 30 FEEDLO CC[C@@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000332526273 554463035 /nfs/dbraw/zinc/46/30/35/554463035.db2.gz FFHUFTWSRGEAPN-SJLPKXTDSA-N 1 2 355.486 2.255 20 30 FEEDLO C[C@@H]1C[C@H](NC(=O)N2CCN(c3ccccc3C#N)CC2)c2[nH+]ccn21 ZINC000333065475 554567163 /nfs/dbraw/zinc/56/71/63/554567163.db2.gz DYOGENUSGZDRTG-ZBFHGGJFSA-N 1 2 350.426 2.292 20 30 FEEDLO C[C@H]1C[C@@H](NC(=O)N2CCN(c3ccccc3C#N)CC2)c2[nH+]ccn21 ZINC000333065469 554567257 /nfs/dbraw/zinc/56/72/57/554567257.db2.gz DYOGENUSGZDRTG-GOEBONIOSA-N 1 2 350.426 2.292 20 30 FEEDLO C[C@@H]1C[C@@H](NC(=O)N2CCN(c3ccccc3C#N)CC2)c2[nH+]ccn21 ZINC000333065462 554567338 /nfs/dbraw/zinc/56/73/38/554567338.db2.gz DYOGENUSGZDRTG-GDBMZVCRSA-N 1 2 350.426 2.292 20 30 FEEDLO O=C(NCC#Cc1cccc(F)c1)NCc1[nH+]ccn1CC(F)(F)F ZINC000511441648 561869493 /nfs/dbraw/zinc/86/94/93/561869493.db2.gz DOVUUXVRYASZTD-UHFFFAOYSA-N 1 2 354.307 2.435 20 30 FEEDLO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000362823168 554990923 /nfs/dbraw/zinc/99/09/23/554990923.db2.gz PHIFAJQQXNWLBX-SFHVURJKSA-N 1 2 358.467 2.211 20 30 FEEDLO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000362823168 554990925 /nfs/dbraw/zinc/99/09/25/554990925.db2.gz PHIFAJQQXNWLBX-SFHVURJKSA-N 1 2 358.467 2.211 20 30 FEEDLO COCc1nccc([C@@H]2CCC[N@H+](CC(=O)Nc3sccc3C#N)C2)n1 ZINC000363036771 555015311 /nfs/dbraw/zinc/01/53/11/555015311.db2.gz PPRBZYJWJIOCEO-CQSZACIVSA-N 1 2 371.466 2.374 20 30 FEEDLO COCc1nccc([C@@H]2CCC[N@@H+](CC(=O)Nc3sccc3C#N)C2)n1 ZINC000363036771 555015312 /nfs/dbraw/zinc/01/53/12/555015312.db2.gz PPRBZYJWJIOCEO-CQSZACIVSA-N 1 2 371.466 2.374 20 30 FEEDLO CCc1nc(C[N@@H+]2CCCN(C(=O)c3cc(C#N)cn3C)CC2)cs1 ZINC000363118707 555034669 /nfs/dbraw/zinc/03/46/69/555034669.db2.gz BEIAYIYRDLSXAL-UHFFFAOYSA-N 1 2 357.483 2.264 20 30 FEEDLO CCc1nc(C[N@H+]2CCCN(C(=O)c3cc(C#N)cn3C)CC2)cs1 ZINC000363118707 555034671 /nfs/dbraw/zinc/03/46/71/555034671.db2.gz BEIAYIYRDLSXAL-UHFFFAOYSA-N 1 2 357.483 2.264 20 30 FEEDLO C[NH+]1CCN(C[C@@H]2CCCN(C(=O)CSc3ccc(C#N)cc3)C2)CC1 ZINC000363672028 555160704 /nfs/dbraw/zinc/16/07/04/555160704.db2.gz MESQNRFHDDXUJN-SFHVURJKSA-N 1 2 372.538 2.136 20 30 FEEDLO C=C(C)COc1cccc(NC(=O)C(=O)N2CCn3cc(C)[nH+]c3C2)c1 ZINC000363687415 555163809 /nfs/dbraw/zinc/16/38/09/555163809.db2.gz LLVSQIZBALFNMM-UHFFFAOYSA-N 1 2 354.410 2.127 20 30 FEEDLO C[C@H]([NH2+]CC(=O)NCc1ccc(C#N)cc1)c1cn(-c2ccccc2)nn1 ZINC000363792002 555187058 /nfs/dbraw/zinc/18/70/58/555187058.db2.gz HGNPUDVNIFDMMT-HNNXBMFYSA-N 1 2 360.421 2.106 20 30 FEEDLO CN(C(=O)C#Cc1ccc2c(c1)OCO2)C1CCN(c2cccc[nH+]2)CC1 ZINC000363872547 555203982 /nfs/dbraw/zinc/20/39/82/555203982.db2.gz NNPWPVSNBRMBCK-UHFFFAOYSA-N 1 2 363.417 2.289 20 30 FEEDLO Cc1cc(C(=O)C[NH+]2CCC(n3cnc(C#N)n3)CC2)c(C)n1C1CC1 ZINC000366341710 555815855 /nfs/dbraw/zinc/81/58/55/555815855.db2.gz UGUKZDBSZNQBSU-UHFFFAOYSA-N 1 2 352.442 2.423 20 30 FEEDLO CCCN1C(=O)CC[C@@H](C(=O)N2CCC(C)(C#N)CC2)[C@@H]1c1c[nH+]cn1C ZINC000366395150 555832450 /nfs/dbraw/zinc/83/24/50/555832450.db2.gz JMUVLIHQGYLZCJ-CRAIPNDOSA-N 1 2 371.485 2.262 20 30 FEEDLO COc1cc[nH+]cc1CNC(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000366644806 555897976 /nfs/dbraw/zinc/89/79/76/555897976.db2.gz BULMZUOEOZZUQZ-GOSISDBHSA-N 1 2 352.394 2.245 20 30 FEEDLO N#CC[C@H](CC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1)c1ccccc1 ZINC000366830317 555945666 /nfs/dbraw/zinc/94/56/66/555945666.db2.gz RYTJOMCHPMCMQO-QUCCMNQESA-N 1 2 373.522 2.398 20 30 FEEDLO CCN(CCC#N)C(=O)C[N@@H+]1CC[C@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC000367013496 555997464 /nfs/dbraw/zinc/99/74/64/555997464.db2.gz AFNWHFGDCKQDFQ-IBGZPJMESA-N 1 2 364.490 2.224 20 30 FEEDLO CCN(CCC#N)C(=O)C[N@H+]1CC[C@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC000367013496 555997465 /nfs/dbraw/zinc/99/74/65/555997465.db2.gz AFNWHFGDCKQDFQ-IBGZPJMESA-N 1 2 364.490 2.224 20 30 FEEDLO C=CCOc1cccc(NC(=O)N2CCC(N3CC[N@@H+](C)CC3=O)CC2)c1 ZINC000367980565 556187432 /nfs/dbraw/zinc/18/74/32/556187432.db2.gz FLFDQOFZZXENNB-UHFFFAOYSA-N 1 2 372.469 2.022 20 30 FEEDLO C=CCOc1cccc(NC(=O)N2CCC(N3CC[N@H+](C)CC3=O)CC2)c1 ZINC000367980565 556187434 /nfs/dbraw/zinc/18/74/34/556187434.db2.gz FLFDQOFZZXENNB-UHFFFAOYSA-N 1 2 372.469 2.022 20 30 FEEDLO N#Cc1c(F)ccc(CNc2cnn(CC[NH+]3CCOCC3)c2)c1Cl ZINC000368466419 556318406 /nfs/dbraw/zinc/31/84/06/556318406.db2.gz QJPSHWIOYIFRML-UHFFFAOYSA-N 1 2 363.824 2.492 20 30 FEEDLO COc1ccc(C(=O)N2CC[NH+]([C@@H]3CC[C@@H](C#N)C3)CC2)c(OC)c1OC ZINC000515314823 562004758 /nfs/dbraw/zinc/00/47/58/562004758.db2.gz PTJYXDNUDVWRPV-HUUCEWRRSA-N 1 2 373.453 2.162 20 30 FEEDLO CN(C)S(=O)(=O)[C@@H]1CCC[N@H+](Cc2ccc(F)c(C#N)c2Cl)C1 ZINC000368592017 556355987 /nfs/dbraw/zinc/35/59/87/556355987.db2.gz JSORTXLQXAXKET-GFCCVEGCSA-N 1 2 359.854 2.207 20 30 FEEDLO CN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](Cc2ccc(F)c(C#N)c2Cl)C1 ZINC000368592017 556355990 /nfs/dbraw/zinc/35/59/90/556355990.db2.gz JSORTXLQXAXKET-GFCCVEGCSA-N 1 2 359.854 2.207 20 30 FEEDLO CCCC[C@@H](ON=C(C)C)C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000368625581 556367608 /nfs/dbraw/zinc/36/76/08/556367608.db2.gz ZMQODAWXTUVPBK-SJLPKXTDSA-N 1 2 371.547 2.282 20 30 FEEDLO Cc1noc(C)c1CO[C@H]1CC[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000368834802 556425953 /nfs/dbraw/zinc/42/59/53/556425953.db2.gz OITQXYNWZUMZEF-AWEZNQCLSA-N 1 2 360.439 2.454 20 30 FEEDLO Cc1noc(C)c1CO[C@H]1CC[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000368834802 556425954 /nfs/dbraw/zinc/42/59/54/556425954.db2.gz OITQXYNWZUMZEF-AWEZNQCLSA-N 1 2 360.439 2.454 20 30 FEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cnc(-c2ccc3c(c2)OCO3)s1 ZINC000515575845 562015621 /nfs/dbraw/zinc/01/56/21/562015621.db2.gz PPTHUTKKZUAFKL-QGZVFWFLSA-N 1 2 358.423 2.112 20 30 FEEDLO COCC[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)[C@H]1CCCc2cccnc21 ZINC000369003922 556473503 /nfs/dbraw/zinc/47/35/03/556473503.db2.gz WRMGENQGVAPCHZ-PXNSSMCTSA-N 1 2 358.486 2.462 20 30 FEEDLO COCC[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)[C@H]1CCCc2cccnc21 ZINC000369003922 556473504 /nfs/dbraw/zinc/47/35/04/556473504.db2.gz WRMGENQGVAPCHZ-PXNSSMCTSA-N 1 2 358.486 2.462 20 30 FEEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C2CCC2)C1 ZINC000369066639 556494908 /nfs/dbraw/zinc/49/49/08/556494908.db2.gz SAWDUDXFUJGNEB-AEFFLSMTSA-N 1 2 368.481 2.312 20 30 FEEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@H](NC(=O)C2CCC2)C1 ZINC000369066639 556494910 /nfs/dbraw/zinc/49/49/10/556494910.db2.gz SAWDUDXFUJGNEB-AEFFLSMTSA-N 1 2 368.481 2.312 20 30 FEEDLO C[C@H](C(=O)N1[C@@H](C)CCC[C@@H]1C)[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000515958768 562026368 /nfs/dbraw/zinc/02/63/68/562026368.db2.gz HLCIBGDGHDXHDV-YESZJQIVSA-N 1 2 355.486 2.253 20 30 FEEDLO N#CC1(c2ccccn2)CC[NH+](CC(=O)NCc2ccccc2F)CC1 ZINC000369207972 556536332 /nfs/dbraw/zinc/53/63/32/556536332.db2.gz STQAKQOFVMGDFL-UHFFFAOYSA-N 1 2 352.413 2.394 20 30 FEEDLO N#C[C@@H]1C[N@@H+](Cc2ccc3c(c2)OCCO3)C[C@@]12C(=O)Nc1ccccc12 ZINC000369523504 556619664 /nfs/dbraw/zinc/61/96/64/556619664.db2.gz WYWNWXVLLSKDTQ-QVKFZJNVSA-N 1 2 361.401 2.303 20 30 FEEDLO N#C[C@@H]1C[N@H+](Cc2ccc3c(c2)OCCO3)C[C@@]12C(=O)Nc1ccccc12 ZINC000369523504 556619665 /nfs/dbraw/zinc/61/96/65/556619665.db2.gz WYWNWXVLLSKDTQ-QVKFZJNVSA-N 1 2 361.401 2.303 20 30 FEEDLO C[C@H](C(=O)Nc1ccccc1C#N)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000369808854 556701336 /nfs/dbraw/zinc/70/13/36/556701336.db2.gz NWDGJOZHCJFTSF-AEFFLSMTSA-N 1 2 356.470 2.072 20 30 FEEDLO N#Cc1ccsc1N1CC[C@H]([NH+]2CCC(CN3CCCC3=O)CC2)C1=O ZINC000370227955 556816508 /nfs/dbraw/zinc/81/65/08/556816508.db2.gz PUHCWXYEUWAPBV-INIZCTEOSA-N 1 2 372.494 2.059 20 30 FEEDLO C#CCSCCNC(=O)C(=O)Nc1cccc(-c2[nH+]ccn2CCC)c1 ZINC000370600674 556918490 /nfs/dbraw/zinc/91/84/90/556918490.db2.gz ZXIVEWQPDMFOSH-UHFFFAOYSA-N 1 2 370.478 2.381 20 30 FEEDLO N#CCC(=O)N1CC[NH+](CCc2cc(Cl)c3c(c2)OCCCO3)CC1 ZINC000516978377 562068962 /nfs/dbraw/zinc/06/89/62/562068962.db2.gz DSJKAAQLMHUIJQ-UHFFFAOYSA-N 1 2 363.845 2.102 20 30 FEEDLO C=CCc1ccc(OC[C@H](O)C[NH+]2CC(n3cc(C)cn3)C2)c(OC)c1 ZINC000370893344 557006046 /nfs/dbraw/zinc/00/60/46/557006046.db2.gz UVDQJACFXHSXPD-GOSISDBHSA-N 1 2 357.454 2.225 20 30 FEEDLO C#CC[C@@H](C)NC(=O)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000371051472 557058643 /nfs/dbraw/zinc/05/86/43/557058643.db2.gz FEKVWQUMVRSBFE-CQSZACIVSA-N 1 2 350.422 2.353 20 30 FEEDLO N#CCCN(C(=O)CCC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1)c1ccccc1 ZINC000371307364 557139394 /nfs/dbraw/zinc/13/93/94/557139394.db2.gz DFORRPBTSMXKFS-HNNXBMFYSA-N 1 2 365.437 2.110 20 30 FEEDLO N#CCCN(C(=O)CCC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1)c1ccccc1 ZINC000371307364 557139399 /nfs/dbraw/zinc/13/93/99/557139399.db2.gz DFORRPBTSMXKFS-HNNXBMFYSA-N 1 2 365.437 2.110 20 30 FEEDLO Cn1cc[nH+]c1[C@@H](NS(=O)(=O)CCCC#N)c1ccc(Cl)cc1 ZINC000517713770 562096111 /nfs/dbraw/zinc/09/61/11/562096111.db2.gz VAFCMOGJJUBEIP-AWEZNQCLSA-N 1 2 352.847 2.386 20 30 FEEDLO Cc1cc(C)c(C#N)c(N2CC[NH+](CC(=O)N[C@@H]3CCC[C@H](C)C3)CC2)n1 ZINC000518201734 562106334 /nfs/dbraw/zinc/10/63/34/562106334.db2.gz CWJPVSHBLROGSP-MAUKXSAKSA-N 1 2 369.513 2.387 20 30 FEEDLO CN(C)c1[nH+]cccc1CNC(=O)N1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000372825001 557570157 /nfs/dbraw/zinc/57/01/57/557570157.db2.gz URYLWSMCEPXNJO-SFHVURJKSA-N 1 2 365.437 2.302 20 30 FEEDLO CCCN1C(=O)CC[C@@H](C(=O)N(CC)C[C@H](C)C#N)[C@@H]1c1c[nH+]cn1C ZINC000373392378 557685819 /nfs/dbraw/zinc/68/58/19/557685819.db2.gz JFBGZFMPXGZNPT-IIDMSEBBSA-N 1 2 359.474 2.118 20 30 FEEDLO CN(C(=O)C[N@@H+]1CC(C)(C)O[C@@]2(CCCOC2)C1)C1(C#N)CCCCC1 ZINC000373794741 557760325 /nfs/dbraw/zinc/76/03/25/557760325.db2.gz AOSHVNCELAKHSC-FQEVSTJZSA-N 1 2 363.502 2.331 20 30 FEEDLO CN(C(=O)C[N@H+]1CC(C)(C)O[C@@]2(CCCOC2)C1)C1(C#N)CCCCC1 ZINC000373794741 557760326 /nfs/dbraw/zinc/76/03/26/557760326.db2.gz AOSHVNCELAKHSC-FQEVSTJZSA-N 1 2 363.502 2.331 20 30 FEEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H]2C(=O)Nc2cc(C)ccc2OC)C1=O ZINC000374163681 557834910 /nfs/dbraw/zinc/83/49/10/557834910.db2.gz PWHHICSEFYMRPP-IAGOWNOFSA-N 1 2 357.454 2.193 20 30 FEEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H]2C(=O)Nc2cc(C)ccc2OC)C1=O ZINC000374163681 557834911 /nfs/dbraw/zinc/83/49/11/557834911.db2.gz PWHHICSEFYMRPP-IAGOWNOFSA-N 1 2 357.454 2.193 20 30 FEEDLO COc1cc(C[N@@H+]2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)ccc1C#N ZINC000374210979 557843995 /nfs/dbraw/zinc/84/39/95/557843995.db2.gz MFFRWPWCODOTBV-HRAATJIYSA-N 1 2 358.401 2.412 20 30 FEEDLO COc1cc(C[N@H+]2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)ccc1C#N ZINC000374210979 557843997 /nfs/dbraw/zinc/84/39/97/557843997.db2.gz MFFRWPWCODOTBV-HRAATJIYSA-N 1 2 358.401 2.412 20 30 FEEDLO C[N@@H+]1CCO[C@H]([C@@H](NC(=O)c2ccc(C#N)nc2)c2ccc(Cl)cc2)C1 ZINC000374323907 557865879 /nfs/dbraw/zinc/86/58/79/557865879.db2.gz KRSIGUSURDRTMU-ROUUACIJSA-N 1 2 370.840 2.408 20 30 FEEDLO C[N@H+]1CCO[C@H]([C@@H](NC(=O)c2ccc(C#N)nc2)c2ccc(Cl)cc2)C1 ZINC000374323907 557865880 /nfs/dbraw/zinc/86/58/80/557865880.db2.gz KRSIGUSURDRTMU-ROUUACIJSA-N 1 2 370.840 2.408 20 30 FEEDLO CN(C)C(=O)c1cccc(C[N@@H+]2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)c1 ZINC000374354676 557870887 /nfs/dbraw/zinc/87/08/87/557870887.db2.gz VFRFIGLIZGVILG-VGSWGCGISA-N 1 2 374.444 2.234 20 30 FEEDLO CN(C)C(=O)c1cccc(C[N@H+]2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)c1 ZINC000374354676 557870889 /nfs/dbraw/zinc/87/08/89/557870889.db2.gz VFRFIGLIZGVILG-VGSWGCGISA-N 1 2 374.444 2.234 20 30 FEEDLO C[C@@H](c1nc(-c2cccnc2)no1)[NH+]1CCN(c2ccc(C#N)nc2)CC1 ZINC000374622636 557908038 /nfs/dbraw/zinc/90/80/38/557908038.db2.gz TWWFJSJBUPVMPS-AWEZNQCLSA-N 1 2 361.409 2.281 20 30 FEEDLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NCCOc1ccc(C#N)cc1 ZINC000375259648 558000332 /nfs/dbraw/zinc/00/03/32/558000332.db2.gz ZCBYEHUTHBXNLA-CRAIPNDOSA-N 1 2 350.422 2.221 20 30 FEEDLO N#Cc1c2c(sc1NC(=O)C[N@@H+]1CC[C@H](n3cncn3)C1)CCCCC2 ZINC000375316537 558007930 /nfs/dbraw/zinc/00/79/30/558007930.db2.gz DQCBAVXVJBRFSU-ZDUSSCGKSA-N 1 2 370.482 2.366 20 30 FEEDLO N#Cc1c2c(sc1NC(=O)C[N@H+]1CC[C@H](n3cncn3)C1)CCCCC2 ZINC000375316537 558007932 /nfs/dbraw/zinc/00/79/32/558007932.db2.gz DQCBAVXVJBRFSU-ZDUSSCGKSA-N 1 2 370.482 2.366 20 30 FEEDLO Cc1nc(C(=O)N2CCC[N@@H+](Cc3cnn(C(C)C)c3)CC2)ccc1C#N ZINC000375796288 558080824 /nfs/dbraw/zinc/08/08/24/558080824.db2.gz SPOAAFGJMNYGIB-UHFFFAOYSA-N 1 2 366.469 2.387 20 30 FEEDLO Cc1nc(C(=O)N2CCC[N@H+](Cc3cnn(C(C)C)c3)CC2)ccc1C#N ZINC000375796288 558080825 /nfs/dbraw/zinc/08/08/25/558080825.db2.gz SPOAAFGJMNYGIB-UHFFFAOYSA-N 1 2 366.469 2.387 20 30 FEEDLO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CC[S@](=O)CC[C@@H]2C)c(OC)c1 ZINC000375945337 558103694 /nfs/dbraw/zinc/10/36/94/558103694.db2.gz DUYKPWCTHSMHCJ-KBUMFOBPSA-N 1 2 367.511 2.006 20 30 FEEDLO C=CCc1ccc(OC[C@H](O)C[N@H+]2CC[S@](=O)CC[C@@H]2C)c(OC)c1 ZINC000375945337 558103695 /nfs/dbraw/zinc/10/36/95/558103695.db2.gz DUYKPWCTHSMHCJ-KBUMFOBPSA-N 1 2 367.511 2.006 20 30 FEEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)C1 ZINC000376397793 558167883 /nfs/dbraw/zinc/16/78/83/558167883.db2.gz TVDNSQZDAWZKGL-HOTGVXAUSA-N 1 2 367.428 2.273 20 30 FEEDLO C[C@@H]1[C@H](C)N(S(=O)(=O)c2ccc(C#N)c(Br)c2)CC[N@H+]1C ZINC000408394546 558673793 /nfs/dbraw/zinc/67/37/93/558673793.db2.gz JUMVKUSBIHZWFV-MNOVXSKESA-N 1 2 372.288 2.034 20 30 FEEDLO C[C@@H]1[C@H](C)N(S(=O)(=O)c2ccc(C#N)c(Br)c2)CC[N@@H+]1C ZINC000408394546 558673794 /nfs/dbraw/zinc/67/37/94/558673794.db2.gz JUMVKUSBIHZWFV-MNOVXSKESA-N 1 2 372.288 2.034 20 30 FEEDLO C=CCCCCCN(C)C(=O)C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000410644160 558793843 /nfs/dbraw/zinc/79/38/43/558793843.db2.gz QWJQDKSELGSZIT-KRWDZBQOSA-N 1 2 360.502 2.406 20 30 FEEDLO C[C@@H](CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1cnn(C)c1 ZINC000411124188 558840943 /nfs/dbraw/zinc/84/09/43/558840943.db2.gz GRCIQHXDTDGLAZ-INIZCTEOSA-N 1 2 351.454 2.130 20 30 FEEDLO CN(C)C(=O)C1([NH2+]CC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000411910980 558986639 /nfs/dbraw/zinc/98/66/39/558986639.db2.gz JNDCYBULXHADLX-UHFFFAOYSA-N 1 2 360.483 2.038 20 30 FEEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)c1 ZINC000411956019 558994757 /nfs/dbraw/zinc/99/47/57/558994757.db2.gz VUTBSTRFNHFPEX-PKOBYXMFSA-N 1 2 356.447 2.140 20 30 FEEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)c1 ZINC000411956019 558994759 /nfs/dbraw/zinc/99/47/59/558994759.db2.gz VUTBSTRFNHFPEX-PKOBYXMFSA-N 1 2 356.447 2.140 20 30 FEEDLO N#Cc1ccc([C@H](C(N)=O)[N@@H+]2CC[C@@]3(C2)CC(=O)c2ccccc2O3)cc1 ZINC000411976553 558998471 /nfs/dbraw/zinc/99/84/71/558998471.db2.gz DJQLKHMXKXCUBJ-CTNGQTDRSA-N 1 2 361.401 2.195 20 30 FEEDLO N#Cc1ccc([C@H](C(N)=O)[N@H+]2CC[C@@]3(C2)CC(=O)c2ccccc2O3)cc1 ZINC000411976553 558998472 /nfs/dbraw/zinc/99/84/72/558998472.db2.gz DJQLKHMXKXCUBJ-CTNGQTDRSA-N 1 2 361.401 2.195 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)C[C@H](c1ccc(O)cc1)C1CC1 ZINC000412127755 559016089 /nfs/dbraw/zinc/01/60/89/559016089.db2.gz LPSGHIYRJPEIRP-FQEVSTJZSA-N 1 2 371.481 2.350 20 30 FEEDLO C[C@@H](C(=O)OC(C)(C)C)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000413041626 559071921 /nfs/dbraw/zinc/07/19/21/559071921.db2.gz BHPSWSGHUXJDTN-OAHLLOKOSA-N 1 2 357.454 2.180 20 30 FEEDLO C[N@H+](CCC#N)C[C@H](O)CSc1nnc(C2CC2)n1-c1ccccc1 ZINC000414090239 559149001 /nfs/dbraw/zinc/14/90/01/559149001.db2.gz BTYMSVUVQVHWAR-INIZCTEOSA-N 1 2 357.483 2.443 20 30 FEEDLO C[N@@H+](CCC#N)C[C@H](O)CSc1nnc(C2CC2)n1-c1ccccc1 ZINC000414090239 559149002 /nfs/dbraw/zinc/14/90/02/559149002.db2.gz BTYMSVUVQVHWAR-INIZCTEOSA-N 1 2 357.483 2.443 20 30 FEEDLO C[N@H+](CCC#N)C[C@@H](O)CSc1n[nH]c(-c2ccc3c(c2)CCC3)n1 ZINC000414121693 559150002 /nfs/dbraw/zinc/15/00/02/559150002.db2.gz ASXIKGSINLWYBL-MRXNPFEDSA-N 1 2 357.483 2.259 20 30 FEEDLO C[N@@H+](CCC#N)C[C@@H](O)CSc1n[nH]c(-c2ccc3c(c2)CCC3)n1 ZINC000414121693 559150004 /nfs/dbraw/zinc/15/00/04/559150004.db2.gz ASXIKGSINLWYBL-MRXNPFEDSA-N 1 2 357.483 2.259 20 30 FEEDLO Cc1nn(-c2cccc(F)c2)cc1CN(CCC#N)CC[NH+]1CCOCC1 ZINC000414371040 559158943 /nfs/dbraw/zinc/15/89/43/559158943.db2.gz XUYPFPGKPDYVHU-UHFFFAOYSA-N 1 2 371.460 2.368 20 30 FEEDLO C[C@H](C#N)S(=O)(=O)NC1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1 ZINC000416394715 559309794 /nfs/dbraw/zinc/30/97/94/559309794.db2.gz ZGFSHBXNPXSEDI-CQSZACIVSA-N 1 2 374.466 2.137 20 30 FEEDLO Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)NCC2(C#N)CCC2)cc1 ZINC000419406154 559440817 /nfs/dbraw/zinc/44/08/17/559440817.db2.gz UNVXTYXMNXMMMO-GOSISDBHSA-N 1 2 356.470 2.361 20 30 FEEDLO COc1cc(C[NH+]2CCN(C(=O)NCC3(C#N)CCC3)CC2)cc(OC)c1 ZINC000419623305 559450284 /nfs/dbraw/zinc/45/02/84/559450284.db2.gz IALSMRNXZMPIKH-UHFFFAOYSA-N 1 2 372.469 2.225 20 30 FEEDLO C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000421031336 559520711 /nfs/dbraw/zinc/52/07/11/559520711.db2.gz WDSGYNQZPXZQPP-XYPHTWIQSA-N 1 2 357.454 2.384 20 30 FEEDLO C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000421031336 559520712 /nfs/dbraw/zinc/52/07/12/559520712.db2.gz WDSGYNQZPXZQPP-XYPHTWIQSA-N 1 2 357.454 2.384 20 30 FEEDLO C=CCCn1cc(C(=O)N2CC[NH+](Cc3ccc(OCC)cc3)CC2)nn1 ZINC000424567880 559669654 /nfs/dbraw/zinc/66/96/54/559669654.db2.gz RGZOGWUZEHDRHC-UHFFFAOYSA-N 1 2 369.469 2.211 20 30 FEEDLO CCN(CC)S(=O)(=O)c1ccc(CNc2cc(C)[nH+]cc2C#N)cc1 ZINC000425201195 559690974 /nfs/dbraw/zinc/69/09/74/559690974.db2.gz MTWOQJDNTYDNPZ-UHFFFAOYSA-N 1 2 358.467 2.326 20 30 FEEDLO Cc1cc(NCc2cccc(S(=O)(=O)N3CCCCC3)c2)c(C#N)c[nH+]1 ZINC000425226849 559692342 /nfs/dbraw/zinc/69/23/42/559692342.db2.gz OICVVUMTPSJHBD-UHFFFAOYSA-N 1 2 370.478 2.470 20 30 FEEDLO C=CCn1cc(CNc2c(C(=O)OCC)c[nH+]c3ccc(OC)cc32)nn1 ZINC000425263412 559694093 /nfs/dbraw/zinc/69/40/93/559694093.db2.gz KSOIPYSFQQXCAT-UHFFFAOYSA-N 1 2 367.409 2.232 20 30 FEEDLO CO[C@@H](C)c1noc(CN2CCC[N@H+](Cc3cccc(F)c3C#N)CC2)n1 ZINC000428219271 559771601 /nfs/dbraw/zinc/77/16/01/559771601.db2.gz OMTPHZPDXFXKHD-AWEZNQCLSA-N 1 2 373.432 2.496 20 30 FEEDLO CO[C@@H](C)c1noc(CN2CCC[N@@H+](Cc3cccc(F)c3C#N)CC2)n1 ZINC000428219271 559771602 /nfs/dbraw/zinc/77/16/02/559771602.db2.gz OMTPHZPDXFXKHD-AWEZNQCLSA-N 1 2 373.432 2.496 20 30 FEEDLO N#CCC1(CNC(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)CC1 ZINC000430203680 559815354 /nfs/dbraw/zinc/81/53/54/559815354.db2.gz JMMIJDBVBAXUEN-UHFFFAOYSA-N 1 2 369.469 2.083 20 30 FEEDLO C=CCN1C(=O)N([C@H](C)[C@@H](C)[NH+]2CCOCC2)C(=O)[C@H]1Cc1ccccc1 ZINC000431401632 559838657 /nfs/dbraw/zinc/83/86/57/559838657.db2.gz OZRIRPHWKJRLNX-ZHALLVOQSA-N 1 2 371.481 2.157 20 30 FEEDLO N#Cc1nn(CC(=O)N2CC[NH+](Cc3ccsc3)CC2)c2ccccc12 ZINC000432492756 559859711 /nfs/dbraw/zinc/85/97/11/559859711.db2.gz ZNDKWOAJFBUUBZ-UHFFFAOYSA-N 1 2 365.462 2.314 20 30 FEEDLO C[C@H]([NH2+]CC(=O)Nc1sccc1C#N)c1ncc(Br)cn1 ZINC000432985125 559869287 /nfs/dbraw/zinc/86/92/87/559869287.db2.gz OXADYYFIXGPBBL-QMMMGPOBSA-N 1 2 366.244 2.462 20 30 FEEDLO C[N@H+](CC(=O)NC1CCN(C(=O)C2CCCCC2)CC1)CC(C)(C)C#N ZINC000433317432 559876854 /nfs/dbraw/zinc/87/68/54/559876854.db2.gz LAWOGFGQRCJWMR-UHFFFAOYSA-N 1 2 362.518 2.155 20 30 FEEDLO C[N@@H+](CC(=O)NC1CCN(C(=O)C2CCCCC2)CC1)CC(C)(C)C#N ZINC000433317432 559876855 /nfs/dbraw/zinc/87/68/55/559876855.db2.gz LAWOGFGQRCJWMR-UHFFFAOYSA-N 1 2 362.518 2.155 20 30 FEEDLO COc1c(C)c[nH+]c(CN(C)S(=O)(=O)c2ccc(C#N)s2)c1C ZINC000435438196 559923001 /nfs/dbraw/zinc/92/30/01/559923001.db2.gz ONFOSVRZOILSKL-UHFFFAOYSA-N 1 2 351.453 2.461 20 30 FEEDLO Cn1cc([C@H](c2cccc(F)c2)[N@H+](C)CC(=O)NC2(C#N)CCC2)cn1 ZINC000527378082 562287135 /nfs/dbraw/zinc/28/71/35/562287135.db2.gz IUJSYTUBDBCRMB-SFHVURJKSA-N 1 2 355.417 2.143 20 30 FEEDLO Cn1cc([C@H](c2cccc(F)c2)[N@@H+](C)CC(=O)NC2(C#N)CCC2)cn1 ZINC000527378082 562287136 /nfs/dbraw/zinc/28/71/36/562287136.db2.gz IUJSYTUBDBCRMB-SFHVURJKSA-N 1 2 355.417 2.143 20 30 FEEDLO Cn1cc(C[N@H+](C)CC(=O)NCc2cccc(C#N)c2)c(C(F)(F)F)n1 ZINC000441656960 560037116 /nfs/dbraw/zinc/03/71/16/560037116.db2.gz LKJACRGPPJZWET-UHFFFAOYSA-N 1 2 365.359 2.059 20 30 FEEDLO Cn1cc(C[N@@H+](C)CC(=O)NCc2cccc(C#N)c2)c(C(F)(F)F)n1 ZINC000441656960 560037117 /nfs/dbraw/zinc/03/71/17/560037117.db2.gz LKJACRGPPJZWET-UHFFFAOYSA-N 1 2 365.359 2.059 20 30 FEEDLO COc1cc(C[NH+]2CCN(C(=O)c3ccc(O)cc3)CC2)ccc1C#N ZINC000442812346 560057999 /nfs/dbraw/zinc/05/79/99/560057999.db2.gz QQOKTLKLJZSFMT-UHFFFAOYSA-N 1 2 351.406 2.230 20 30 FEEDLO CC(=O)N1CC[NH+](CCNc2c(C#N)cnc3ccc(C(C)C)cc32)CC1 ZINC000447670867 560166332 /nfs/dbraw/zinc/16/63/32/560166332.db2.gz LBYBNUZADLIYJP-UHFFFAOYSA-N 1 2 365.481 2.228 20 30 FEEDLO COCC[N@H+](CC(=O)N(C)C1(C#N)CCCCC1)Cc1cncs1 ZINC000447848416 560171222 /nfs/dbraw/zinc/17/12/22/560171222.db2.gz LQMFLRLQUQEQRX-UHFFFAOYSA-N 1 2 350.488 2.276 20 30 FEEDLO COCC[N@@H+](CC(=O)N(C)C1(C#N)CCCCC1)Cc1cncs1 ZINC000447848416 560171223 /nfs/dbraw/zinc/17/12/23/560171223.db2.gz LQMFLRLQUQEQRX-UHFFFAOYSA-N 1 2 350.488 2.276 20 30 FEEDLO CO[C@H](Cc1ccccc1)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000448578588 560190830 /nfs/dbraw/zinc/19/08/30/560190830.db2.gz OZBVJJVSZWQMEJ-OAQYLSRUSA-N 1 2 363.461 2.460 20 30 FEEDLO C=CCOc1ccc(CC(=O)NCc2ccc[nH+]c2N2CCOCC2)cc1 ZINC000448653303 560192872 /nfs/dbraw/zinc/19/28/72/560192872.db2.gz BWQPIDQQNHMZNW-UHFFFAOYSA-N 1 2 367.449 2.342 20 30 FEEDLO COC(=O)c1n[nH]c2c1C[N@H+](Cc1cccc(OCCCC#N)c1)CC2 ZINC000449564982 560233579 /nfs/dbraw/zinc/23/35/79/560233579.db2.gz HTEIVPDMSLMFRH-UHFFFAOYSA-N 1 2 354.410 2.437 20 30 FEEDLO COC(=O)c1n[nH]c2c1C[N@@H+](Cc1cccc(OCCCC#N)c1)CC2 ZINC000449564982 560233580 /nfs/dbraw/zinc/23/35/80/560233580.db2.gz HTEIVPDMSLMFRH-UHFFFAOYSA-N 1 2 354.410 2.437 20 30 FEEDLO Cc1[nH]c(C#N)cc1C(=O)Nc1ccc2[nH]c(N3CCOCC3)[nH+]c2c1 ZINC000449812289 560240849 /nfs/dbraw/zinc/24/08/49/560240849.db2.gz UPNGHCBXPBAVKJ-UHFFFAOYSA-N 1 2 350.382 2.160 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000450041755 560249019 /nfs/dbraw/zinc/24/90/19/560249019.db2.gz KOIHSYCRKYKDHH-PMPSAXMXSA-N 1 2 350.484 2.171 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1nnc(C(=O)NCc2ccc(C)cc2)s1 ZINC000451604904 560316952 /nfs/dbraw/zinc/31/69/52/560316952.db2.gz CBEOKSCHNHDYNV-CABCVRRESA-N 1 2 358.467 2.210 20 30 FEEDLO COc1cc(C#N)ccc1C[N@H+](CCN1CCOCC1)Cc1ccco1 ZINC000452053625 560348385 /nfs/dbraw/zinc/34/83/85/560348385.db2.gz YBVPQRKCGUTWEU-UHFFFAOYSA-N 1 2 355.438 2.494 20 30 FEEDLO COc1cc(C#N)ccc1C[N@@H+](CCN1CCOCC1)Cc1ccco1 ZINC000452053625 560348386 /nfs/dbraw/zinc/34/83/86/560348386.db2.gz YBVPQRKCGUTWEU-UHFFFAOYSA-N 1 2 355.438 2.494 20 30 FEEDLO Cc1cc(C#N)cc(NC(=O)C(=O)NCc2ccc(N3CCCC3)[nH+]c2)c1 ZINC000453578626 560389403 /nfs/dbraw/zinc/38/94/03/560389403.db2.gz ZFTBMVLOJQBLNL-UHFFFAOYSA-N 1 2 363.421 2.117 20 30 FEEDLO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)C(=O)Nc1cccc(CC#N)c1)C2 ZINC000453697332 560397550 /nfs/dbraw/zinc/39/75/50/560397550.db2.gz XPLTUVGNICOFOI-UHFFFAOYSA-N 1 2 365.437 2.133 20 30 FEEDLO Cc1cc(C#N)cc(NC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)c1 ZINC000456000954 560504037 /nfs/dbraw/zinc/50/40/37/560504037.db2.gz LNSXMQYIASWUAC-SFHVURJKSA-N 1 2 360.483 2.196 20 30 FEEDLO Cc1cc(C(=O)N2CC[C@H](Oc3ccc[nH+]c3N(C)C)C2)ncc1C#N ZINC000457727304 560584377 /nfs/dbraw/zinc/58/43/77/560584377.db2.gz CQYIKATXURDQPZ-HNNXBMFYSA-N 1 2 351.410 2.016 20 30 FEEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 ZINC000459050118 560663812 /nfs/dbraw/zinc/66/38/12/560663812.db2.gz DVGYWYWHBQFIAW-WMZOPIPTSA-N 1 2 366.469 2.384 20 30 FEEDLO CCOCCCNC(=O)C1CC[NH+](Cc2c(C#N)cccc2[N+](=O)[O-])CC1 ZINC000459319530 560679457 /nfs/dbraw/zinc/67/94/57/560679457.db2.gz WRINUKLRCBQFBB-UHFFFAOYSA-N 1 2 374.441 2.221 20 30 FEEDLO N#Cc1nc(-c2ccco2)oc1N1CC[NH+](CCn2cc(Cl)cn2)CC1 ZINC000459348638 560681468 /nfs/dbraw/zinc/68/14/68/560681468.db2.gz MKSRYILAWLXYAC-UHFFFAOYSA-N 1 2 372.816 2.478 20 30 FEEDLO C[C@H]1C[N@H+](CCOc2ccc(C#N)cc2)CCN1C(=O)c1cscn1 ZINC000459513809 560691266 /nfs/dbraw/zinc/69/12/66/560691266.db2.gz KQXKSTWYKKEAKP-AWEZNQCLSA-N 1 2 356.451 2.240 20 30 FEEDLO C[C@H]1C[N@@H+](CCOc2ccc(C#N)cc2)CCN1C(=O)c1cscn1 ZINC000459513809 560691267 /nfs/dbraw/zinc/69/12/67/560691267.db2.gz KQXKSTWYKKEAKP-AWEZNQCLSA-N 1 2 356.451 2.240 20 30 FEEDLO C=CC[N@H+](Cc1nnnn1C(C)(C)C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000464688563 560848559 /nfs/dbraw/zinc/84/85/59/560848559.db2.gz HRCDIOOUDYHJCR-CQSZACIVSA-N 1 2 367.461 2.153 20 30 FEEDLO C=CC[N@@H+](Cc1nnnn1C(C)(C)C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000464688563 560848560 /nfs/dbraw/zinc/84/85/60/560848560.db2.gz HRCDIOOUDYHJCR-CQSZACIVSA-N 1 2 367.461 2.153 20 30 FEEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCN(C(=O)Cc2cccc(Cl)c2)[C@H](C)C1 ZINC000464762889 560850276 /nfs/dbraw/zinc/85/02/76/560850276.db2.gz YLGXBVPEIQYMOF-HUUCEWRRSA-N 1 2 363.889 2.106 20 30 FEEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCN(C(=O)Cc2cccc(Cl)c2)[C@H](C)C1 ZINC000464762889 560850277 /nfs/dbraw/zinc/85/02/77/560850277.db2.gz YLGXBVPEIQYMOF-HUUCEWRRSA-N 1 2 363.889 2.106 20 30 FEEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000465888680 560875166 /nfs/dbraw/zinc/87/51/66/560875166.db2.gz DRKQOWSPAZELTO-QRQLOZEOSA-N 1 2 356.470 2.188 20 30 FEEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000465888680 560875167 /nfs/dbraw/zinc/87/51/67/560875167.db2.gz DRKQOWSPAZELTO-QRQLOZEOSA-N 1 2 356.470 2.188 20 30 FEEDLO CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000469281744 560951658 /nfs/dbraw/zinc/95/16/58/560951658.db2.gz RBOOCAKNJGKETD-DNVCBOLYSA-N 1 2 359.426 2.323 20 30 FEEDLO C[C@H](C(=O)NC1(C#N)CCC1)N(C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000469617631 560959779 /nfs/dbraw/zinc/95/97/79/560959779.db2.gz OBNDZYXPMXTDFQ-MRXNPFEDSA-N 1 2 351.454 2.314 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)NCCNc2cccc[nH+]2)c(C(F)(F)F)c1 ZINC000472323708 561024190 /nfs/dbraw/zinc/02/41/90/561024190.db2.gz UPXDTFVDILXNCS-UHFFFAOYSA-N 1 2 370.356 2.362 20 30 FEEDLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+]1Cc1cccc(OCc2ccccc2C#N)c1 ZINC000473379135 561048875 /nfs/dbraw/zinc/04/88/75/561048875.db2.gz KHWADDBURIFKIU-UYAOXDASSA-N 1 2 366.417 2.245 20 30 FEEDLO COC(=O)[C@H]1C[C@@H](O)C[N@H+]1Cc1cccc(OCc2ccccc2C#N)c1 ZINC000473379135 561048876 /nfs/dbraw/zinc/04/88/76/561048876.db2.gz KHWADDBURIFKIU-UYAOXDASSA-N 1 2 366.417 2.245 20 30 FEEDLO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000475306178 561094541 /nfs/dbraw/zinc/09/45/41/561094541.db2.gz VYELDPYRYWCUSV-MRXNPFEDSA-N 1 2 373.497 2.314 20 30 FEEDLO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000475306178 561094542 /nfs/dbraw/zinc/09/45/42/561094542.db2.gz VYELDPYRYWCUSV-MRXNPFEDSA-N 1 2 373.497 2.314 20 30 FEEDLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNc1nc(C(C)(C)C)ccc1C#N ZINC000528129627 562315218 /nfs/dbraw/zinc/31/52/18/562315218.db2.gz JUHPPXMKXFQPQP-HXUWFJFHSA-N 1 2 358.486 2.278 20 30 FEEDLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNc1nc(C(C)(C)C)ccc1C#N ZINC000528129627 562315219 /nfs/dbraw/zinc/31/52/19/562315219.db2.gz JUHPPXMKXFQPQP-HXUWFJFHSA-N 1 2 358.486 2.278 20 30 FEEDLO CCC(C#N)(CC)C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000528215194 562318989 /nfs/dbraw/zinc/31/89/89/562318989.db2.gz DMHVEYSKRGILQY-UHFFFAOYSA-N 1 2 359.470 2.344 20 30 FEEDLO Cc1ccccc1CN1CC[NH+](C[C@H](O)COc2ccccc2C#N)CC1 ZINC000528341818 562323648 /nfs/dbraw/zinc/32/36/48/562323648.db2.gz XTMUWUZSMFDHSM-NRFANRHFSA-N 1 2 365.477 2.424 20 30 FEEDLO N#Cc1ccccc1OC[C@H](O)C[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000528357597 562324623 /nfs/dbraw/zinc/32/46/23/562324623.db2.gz IIHXUNCHBFGPAJ-LJQANCHMSA-N 1 2 371.481 2.022 20 30 FEEDLO N#Cc1ccccc1OC[C@@H](O)C[NH+]1CCN(c2cccc(F)c2F)CC1 ZINC000528385186 562326061 /nfs/dbraw/zinc/32/60/61/562326061.db2.gz XPFBYPFBSMOSIB-INIZCTEOSA-N 1 2 373.403 2.398 20 30 FEEDLO C[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2C#N)C[C@@H](CC(F)(F)F)O1 ZINC000528560370 562336310 /nfs/dbraw/zinc/33/63/10/562336310.db2.gz JNVVPYPGKPPHDA-BPLDGKMQSA-N 1 2 358.360 2.340 20 30 FEEDLO C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccccc2C#N)C[C@@H](CC(F)(F)F)O1 ZINC000528560370 562336311 /nfs/dbraw/zinc/33/63/11/562336311.db2.gz JNVVPYPGKPPHDA-BPLDGKMQSA-N 1 2 358.360 2.340 20 30 FEEDLO COCCC1CC[NH+](CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)CC1 ZINC000528576639 562337005 /nfs/dbraw/zinc/33/70/05/562337005.db2.gz DOSJBEWWFNCLPW-INIZCTEOSA-N 1 2 368.437 2.260 20 30 FEEDLO CC(C)c1ncc2c(n1)CC[N@@H+](C[C@H](O)COc1ccccc1C#N)C2 ZINC000528590609 562337441 /nfs/dbraw/zinc/33/74/41/562337441.db2.gz FZAFBLRXGVGQHI-KRWDZBQOSA-N 1 2 352.438 2.270 20 30 FEEDLO CC(C)c1ncc2c(n1)CC[N@H+](C[C@H](O)COc1ccccc1C#N)C2 ZINC000528590609 562337442 /nfs/dbraw/zinc/33/74/42/562337442.db2.gz FZAFBLRXGVGQHI-KRWDZBQOSA-N 1 2 352.438 2.270 20 30 FEEDLO N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCc2nc(C3CC3)ncc2C1 ZINC000528742013 562345375 /nfs/dbraw/zinc/34/53/75/562345375.db2.gz QPDWVZQEAZBLJQ-KRWDZBQOSA-N 1 2 350.422 2.024 20 30 FEEDLO N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CCc2nc(C3CC3)ncc2C1 ZINC000528742013 562345376 /nfs/dbraw/zinc/34/53/76/562345376.db2.gz QPDWVZQEAZBLJQ-KRWDZBQOSA-N 1 2 350.422 2.024 20 30 FEEDLO C[C@H](C#N)C(=O)N1CC[NH+](CCCc2nc(-c3cccs3)no2)CC1 ZINC000531252005 562439692 /nfs/dbraw/zinc/43/96/92/562439692.db2.gz NYKVXUQZVHVORB-CYBMUJFWSA-N 1 2 359.455 2.035 20 30 FEEDLO N#Cc1ccc([C@H](C(N)=O)[NH+]2CCC(NC(=O)c3ccsc3)CC2)cc1 ZINC000532487023 562479300 /nfs/dbraw/zinc/47/93/00/562479300.db2.gz XBKOTQRLMWTIMZ-QGZVFWFLSA-N 1 2 368.462 2.041 20 30 FEEDLO CCN1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)CC1=O ZINC000541703331 562618277 /nfs/dbraw/zinc/61/82/77/562618277.db2.gz FMVBNJDODJHIDE-CYBMUJFWSA-N 1 2 374.510 2.237 20 30 FEEDLO CCN1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)CC1=O ZINC000541703331 562618278 /nfs/dbraw/zinc/61/82/78/562618278.db2.gz FMVBNJDODJHIDE-CYBMUJFWSA-N 1 2 374.510 2.237 20 30 FEEDLO COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)Nc2cc(C)nn2CCC#N)cc1 ZINC000602080133 567918872 /nfs/dbraw/zinc/91/88/72/567918872.db2.gz WHSSEDZITNSNIP-QGZVFWFLSA-N 1 2 353.426 2.327 20 30 FEEDLO COc1ccc(C[N@H+]2CC[C@@H]2C(=O)Nc2cc(C)nn2CCC#N)cc1 ZINC000602080133 567918874 /nfs/dbraw/zinc/91/88/74/567918874.db2.gz WHSSEDZITNSNIP-QGZVFWFLSA-N 1 2 353.426 2.327 20 30 FEEDLO C[C@@H]1C[NH+](CC(=O)N(C)[C@H]2CCCc3ccccc32)C[C@@H](C)N1CC#N ZINC000602857578 568002724 /nfs/dbraw/zinc/00/27/24/568002724.db2.gz SXRIYOPMGHLODS-HLIPFELVSA-N 1 2 354.498 2.441 20 30 FEEDLO C[C@H](CC#N)[NH2+]CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000602869375 568008746 /nfs/dbraw/zinc/00/87/46/568008746.db2.gz NUHDJTCAYIKDDB-GFCCVEGCSA-N 1 2 370.375 2.372 20 30 FEEDLO COC(=O)[C@H](Cc1cccc(OC)c1)[NH2+]CCCC1(C#N)CCOCC1 ZINC000602938555 568021146 /nfs/dbraw/zinc/02/11/46/568021146.db2.gz AYFCDCSQDNEZOY-SFHVURJKSA-N 1 2 360.454 2.469 20 30 FEEDLO C[N@H+](CC(=O)N1CCC(C(=O)N2CCCCCC2)CC1)[C@H]1CCC[C@@H]1C#N ZINC000602976160 568036054 /nfs/dbraw/zinc/03/60/54/568036054.db2.gz MBCYUIDXSFRBMI-MOPGFXCFSA-N 1 2 374.529 2.252 20 30 FEEDLO C[N@@H+](CC(=O)N1CCC(C(=O)N2CCCCCC2)CC1)[C@H]1CCC[C@@H]1C#N ZINC000602976160 568036056 /nfs/dbraw/zinc/03/60/56/568036056.db2.gz MBCYUIDXSFRBMI-MOPGFXCFSA-N 1 2 374.529 2.252 20 30 FEEDLO Cn1cc([C@@H]2C[N@H+](CC3(CC#N)CC3)CCN2CC2(CC#N)CC2)cn1 ZINC000602803795 568037484 /nfs/dbraw/zinc/03/74/84/568037484.db2.gz GDDNYQNWQVKPCH-SFHVURJKSA-N 1 2 352.486 2.467 20 30 FEEDLO Cn1cc([C@@H]2C[N@@H+](CC3(CC#N)CC3)CCN2CC2(CC#N)CC2)cn1 ZINC000602803795 568037485 /nfs/dbraw/zinc/03/74/85/568037485.db2.gz GDDNYQNWQVKPCH-SFHVURJKSA-N 1 2 352.486 2.467 20 30 FEEDLO Cc1nc(C(C)(C)[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)sc1C ZINC000568439824 568038220 /nfs/dbraw/zinc/03/82/20/568038220.db2.gz DJPFRPQGAQVGPD-UHFFFAOYSA-N 1 2 364.496 2.325 20 30 FEEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602860883 568049392 /nfs/dbraw/zinc/04/93/92/568049392.db2.gz JQIUSWYBZWLIAD-KZNAEPCWSA-N 1 2 353.470 2.240 20 30 FEEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602860885 568049487 /nfs/dbraw/zinc/04/94/87/568049487.db2.gz JQIUSWYBZWLIAD-OKZBNKHCSA-N 1 2 353.470 2.240 20 30 FEEDLO C[C@H]1C[NH+](CC(=O)Nc2ccc(Br)cc2)C[C@H](C)N1CC#N ZINC000602860898 568049496 /nfs/dbraw/zinc/04/94/96/568049496.db2.gz JRWWUASMZBRALQ-STQMWFEESA-N 1 2 365.275 2.306 20 30 FEEDLO C#CCOc1cccc(Cl)c1C[NH+]1CCC(NS(=O)(=O)CC)CC1 ZINC000809736438 674507666 /nfs/dbraw/zinc/50/76/66/674507666.db2.gz UXFMFGIMYDPODV-UHFFFAOYSA-N 1 2 370.902 2.256 20 30 FEEDLO C=C(C)CN(CC)C(=O)C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000559417420 674542121 /nfs/dbraw/zinc/54/21/21/674542121.db2.gz ADKZHZXYWLCSHN-MRXNPFEDSA-N 1 2 351.878 2.484 20 30 FEEDLO Cc1nc(-c2nn[nH]n2)c(N=NC2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)o1 ZINC000822424155 606861756 /nfs/dbraw/zinc/86/17/56/606861756.db2.gz SETYEISRHWYPNA-LLVKDONJSA-N 1 2 352.402 2.225 20 30 FEEDLO Cc1nc(-c2nn[nH]n2)c(N=NC2C[C@@H](C)[N@H+](Cc3ccccc3)C2)o1 ZINC000822424155 606861758 /nfs/dbraw/zinc/86/17/58/606861758.db2.gz SETYEISRHWYPNA-LLVKDONJSA-N 1 2 352.402 2.225 20 30 FEEDLO C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)CN1C[C@@H](C2CC2)CC1=O ZINC000823914667 608096890 /nfs/dbraw/zinc/09/68/90/608096890.db2.gz LLGUSBZKBYVLDM-KRWDZBQOSA-N 1 2 352.442 2.071 20 30 FEEDLO C=CC[N@H+](Cc1cccc(-c2nn[nH]n2)c1)CN1C[C@@H](C2CC2)CC1=O ZINC000823914667 608096891 /nfs/dbraw/zinc/09/68/91/608096891.db2.gz LLGUSBZKBYVLDM-KRWDZBQOSA-N 1 2 352.442 2.071 20 30 FEEDLO C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)Cn1cnc(-c2ccccn2)n1 ZINC000823915549 608096927 /nfs/dbraw/zinc/09/69/27/608096927.db2.gz ZTXFOQNGHYYMFJ-UHFFFAOYSA-N 1 2 373.424 2.166 20 30 FEEDLO C=CC[N@H+](Cc1cccc(-c2nn[nH]n2)c1)Cn1cnc(-c2ccccn2)n1 ZINC000823915549 608096928 /nfs/dbraw/zinc/09/69/28/608096928.db2.gz ZTXFOQNGHYYMFJ-UHFFFAOYSA-N 1 2 373.424 2.166 20 30 FEEDLO COc1cc(-c2nn[nH]n2)ccc1CO[NH+]=C(N)c1ccc(F)c(C)c1 ZINC000826173217 608324078 /nfs/dbraw/zinc/32/40/78/608324078.db2.gz SOPPCRWTBYLEEC-UHFFFAOYSA-N 1 2 356.361 2.160 20 30 FEEDLO CN1C(=O)C[C@@H]([NH2+]Cc2ncc(C#N)cn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000561239186 674649381 /nfs/dbraw/zinc/64/93/81/674649381.db2.gz AHEPKZLDAFSSKE-RHSMWYFYSA-N 1 2 359.792 2.202 20 30 FEEDLO CC(=O)N1CC[NH+](CCNc2c(C#N)cnc3c(Cl)cccc32)CC1 ZINC000564892423 675072738 /nfs/dbraw/zinc/07/27/38/675072738.db2.gz KHEHJDFAFSSVAN-UHFFFAOYSA-N 1 2 357.845 2.336 20 30 FEEDLO N#Cc1cc(S(=O)(=O)NCc2ccc(-n3cc[nH+]c3)cc2)ccc1F ZINC000103157581 670780713 /nfs/dbraw/zinc/78/07/13/670780713.db2.gz PYISMQRDDSUSIN-UHFFFAOYSA-N 1 2 356.382 2.362 20 30 FEEDLO Cn1cc(Br)cc1C[N@H+](C)Cc1cnc2c(C#N)cnn2c1 ZINC000573848012 671172169 /nfs/dbraw/zinc/17/21/69/671172169.db2.gz ZXSULPVAODZQAZ-UHFFFAOYSA-N 1 2 359.231 2.334 20 30 FEEDLO Cn1cc(Br)cc1C[N@@H+](C)Cc1cnc2c(C#N)cnn2c1 ZINC000573848012 671172173 /nfs/dbraw/zinc/17/21/73/671172173.db2.gz ZXSULPVAODZQAZ-UHFFFAOYSA-N 1 2 359.231 2.334 20 30 FEEDLO C#CC[NH+]1CCN(Cn2nc(COc3ccc(C)cc3)oc2=S)CC1 ZINC000124510214 671998475 /nfs/dbraw/zinc/99/84/75/671998475.db2.gz LVAIFVZFHMBOEQ-UHFFFAOYSA-N 1 2 358.467 2.301 20 30 FEEDLO COc1ccc(C(N)=[NH+]OCC(=O)N(CC(C)C)CC(F)(F)F)cc1 ZINC000151167184 672158021 /nfs/dbraw/zinc/15/80/21/672158021.db2.gz UFMRYJGQPDORFM-UHFFFAOYSA-N 1 2 361.364 2.379 20 30 FEEDLO CC(=O)OC1CC[NH+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000153225458 672194888 /nfs/dbraw/zinc/19/48/88/672194888.db2.gz BEDBTTQALOKEEE-LLVKDONJSA-N 1 2 361.467 2.463 20 30 FEEDLO N#Cc1ccc(NC(=O)C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c(Cl)c1 ZINC000610870121 676002227 /nfs/dbraw/zinc/00/22/27/676002227.db2.gz ZVRMESHMKWYWBY-ZDUSSCGKSA-N 1 2 357.801 2.210 20 30 FEEDLO CC1(C)C[N@H+](CCNC(=O)C#Cc2ccc(C(F)(F)F)cc2)CCO1 ZINC000190917821 672655421 /nfs/dbraw/zinc/65/54/21/672655421.db2.gz XQWPOUPJZRZIBC-UHFFFAOYSA-N 1 2 354.372 2.284 20 30 FEEDLO CC1(C)C[N@@H+](CCNC(=O)C#Cc2ccc(C(F)(F)F)cc2)CCO1 ZINC000190917821 672655425 /nfs/dbraw/zinc/65/54/25/672655425.db2.gz XQWPOUPJZRZIBC-UHFFFAOYSA-N 1 2 354.372 2.284 20 30 FEEDLO Cc1sc(NC(=O)C[NH+]2CCC(Cn3cnnc3)CC2)c(C#N)c1C ZINC000593077685 672872546 /nfs/dbraw/zinc/87/25/46/672872546.db2.gz OJVUZTLZJLRZQL-UHFFFAOYSA-N 1 2 358.471 2.179 20 30 FEEDLO Cc1cccc(S(=O)(=O)NC[C@@H]2CC[N@@H+]2Cc2ccccc2)c1C#N ZINC000595392632 673240877 /nfs/dbraw/zinc/24/08/77/673240877.db2.gz KDESJJCPPHRVRG-KRWDZBQOSA-N 1 2 355.463 2.420 20 30 FEEDLO Cc1cccc(S(=O)(=O)NC[C@@H]2CC[N@H+]2Cc2ccccc2)c1C#N ZINC000595392632 673240879 /nfs/dbraw/zinc/24/08/79/673240879.db2.gz KDESJJCPPHRVRG-KRWDZBQOSA-N 1 2 355.463 2.420 20 30 FEEDLO N#CCc1cccc(S(=O)(=O)NC[C@H]2CC[N@@H+]2Cc2ccccc2)c1 ZINC000595394435 673241682 /nfs/dbraw/zinc/24/16/82/673241682.db2.gz XOISDGGDMZYXGR-GOSISDBHSA-N 1 2 355.463 2.305 20 30 FEEDLO N#CCc1cccc(S(=O)(=O)NC[C@H]2CC[N@H+]2Cc2ccccc2)c1 ZINC000595394435 673241684 /nfs/dbraw/zinc/24/16/84/673241684.db2.gz XOISDGGDMZYXGR-GOSISDBHSA-N 1 2 355.463 2.305 20 30 FEEDLO CN(CC(=O)Nc1ccccc1Cl)C(=O)C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595609422 673273487 /nfs/dbraw/zinc/27/34/87/673273487.db2.gz JMKDUPZMKGOZDK-CQSZACIVSA-N 1 2 362.861 2.363 20 30 FEEDLO CN(CC(=O)Nc1ccccc1Cl)C(=O)C[N@H+]1CCC[C@H](CC#N)C1 ZINC000595609422 673273490 /nfs/dbraw/zinc/27/34/90/673273490.db2.gz JMKDUPZMKGOZDK-CQSZACIVSA-N 1 2 362.861 2.363 20 30 FEEDLO CC(C)(C)c1nnc2n1CC[N@@H+](CCC(=O)Nc1sccc1C#N)C2 ZINC000595891029 673335213 /nfs/dbraw/zinc/33/52/13/673335213.db2.gz JDBFVHPMHFUOIP-UHFFFAOYSA-N 1 2 358.471 2.353 20 30 FEEDLO CC(C)(C)c1nnc2n1CC[N@H+](CCC(=O)Nc1sccc1C#N)C2 ZINC000595891029 673335219 /nfs/dbraw/zinc/33/52/19/673335219.db2.gz JDBFVHPMHFUOIP-UHFFFAOYSA-N 1 2 358.471 2.353 20 30 FEEDLO COc1cc(C[N@H+](C[C@H](C)C#N)C2CC2)cc(Cl)c1OCC(N)=O ZINC000538764006 673457129 /nfs/dbraw/zinc/45/71/29/673457129.db2.gz HWRZOSMCCNCEPX-LLVKDONJSA-N 1 2 351.834 2.337 20 30 FEEDLO COc1cc(C[N@@H+](C[C@H](C)C#N)C2CC2)cc(Cl)c1OCC(N)=O ZINC000538764006 673457133 /nfs/dbraw/zinc/45/71/33/673457133.db2.gz HWRZOSMCCNCEPX-LLVKDONJSA-N 1 2 351.834 2.337 20 30 FEEDLO CCOC(=O)c1sc([C@H](C)[NH2+]CC(=O)N(CC)CCC#N)nc1C ZINC000544517286 673715631 /nfs/dbraw/zinc/71/56/31/673715631.db2.gz OERSRLNBKYYOEC-LBPRGKRZSA-N 1 2 352.460 2.041 20 30 FEEDLO Cc1cc(S(=O)(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)ccc1C#N ZINC000601979625 673900870 /nfs/dbraw/zinc/90/08/70/673900870.db2.gz QRVWFLQUILAREJ-UHFFFAOYSA-N 1 2 359.455 2.131 20 30 FEEDLO CCN(CC)S(=O)(=O)c1ccc(C[NH2+]Cc2cccc(C#N)n2)s1 ZINC000602531512 673907411 /nfs/dbraw/zinc/90/74/11/673907411.db2.gz WRUJATRGACRWBZ-UHFFFAOYSA-N 1 2 364.496 2.335 20 30 FEEDLO CCOC(=O)c1ncc(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)s1 ZINC000602835355 673911925 /nfs/dbraw/zinc/91/19/25/673911925.db2.gz BAHKYMIGLNSVGQ-CYBMUJFWSA-N 1 2 358.423 2.240 20 30 FEEDLO CCOC(=O)c1ncc(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)s1 ZINC000602835355 673911928 /nfs/dbraw/zinc/91/19/28/673911928.db2.gz BAHKYMIGLNSVGQ-CYBMUJFWSA-N 1 2 358.423 2.240 20 30 FEEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1cccc(C(=O)N2CCSCC2)c1 ZINC000566428725 675213333 /nfs/dbraw/zinc/21/33/33/675213333.db2.gz KTCXOMHCUBGVTD-HNNXBMFYSA-N 1 2 360.483 2.096 20 30 FEEDLO C#C[C@@H](NC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccc(Cl)cc1F ZINC000820749888 675384999 /nfs/dbraw/zinc/38/49/99/675384999.db2.gz GWSJZHXBOPNOAA-JKIFEVAISA-N 1 2 365.836 2.316 20 30 FEEDLO C#C[C@@H](NC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccc(Cl)cc1F ZINC000820749888 675385000 /nfs/dbraw/zinc/38/50/00/675385000.db2.gz GWSJZHXBOPNOAA-JKIFEVAISA-N 1 2 365.836 2.316 20 30 FEEDLO CC#CC[NH2+]Cc1cn(CC(=O)Nc2cccc(C(F)(F)F)c2)nn1 ZINC000640754563 677187855 /nfs/dbraw/zinc/18/78/55/677187855.db2.gz FYXXHSBSZINBBB-UHFFFAOYSA-N 1 2 351.332 2.049 20 30 FEEDLO CC#CC[NH2+]Cc1cn([C@H](C)C(=O)N2CCC[C@@H]2c2cccs2)nn1 ZINC000640927618 677191833 /nfs/dbraw/zinc/19/18/33/677191833.db2.gz WAQIMOPJFRCDTJ-GDBMZVCRSA-N 1 2 357.483 2.377 20 30 FEEDLO C=CC[N@H+](CC[C@@H]1Sc2ccccc2NC1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000660069176 678272793 /nfs/dbraw/zinc/27/27/93/678272793.db2.gz DLQORAONSUSLRG-CJNGLKHVSA-N 1 2 366.508 2.165 20 30 FEEDLO C=CC[N@@H+](CC[C@@H]1Sc2ccccc2NC1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000660069176 678272794 /nfs/dbraw/zinc/27/27/94/678272794.db2.gz DLQORAONSUSLRG-CJNGLKHVSA-N 1 2 366.508 2.165 20 30 FEEDLO C=CC[C@H]1CCC[N@@H+](CC(=O)Nc2cc(S(N)(=O)=O)ccc2Cl)C1 ZINC000661381321 678472523 /nfs/dbraw/zinc/47/25/23/678472523.db2.gz IXTNZDZWNBQQKL-LBPRGKRZSA-N 1 2 371.890 2.214 20 30 FEEDLO C=CC[C@H]1CCC[N@H+](CC(=O)Nc2cc(S(N)(=O)=O)ccc2Cl)C1 ZINC000661381321 678472525 /nfs/dbraw/zinc/47/25/25/678472525.db2.gz IXTNZDZWNBQQKL-LBPRGKRZSA-N 1 2 371.890 2.214 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2c(C)nn(C)c2Cl)C1 ZINC001008557146 679913062 /nfs/dbraw/zinc/91/30/62/679913062.db2.gz AVRVKUQHTUPNQH-FMKPAKJESA-N 1 2 366.893 2.054 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2c(C)nn(C)c2Cl)C1 ZINC001008557146 679913070 /nfs/dbraw/zinc/91/30/70/679913070.db2.gz AVRVKUQHTUPNQH-FMKPAKJESA-N 1 2 366.893 2.054 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[N@@H+](Cc2snnc2C)CC1(C)C ZINC000974587292 679960584 /nfs/dbraw/zinc/96/05/84/679960584.db2.gz JFNMHGSULAVDKX-YCPHGPKFSA-N 1 2 364.515 2.154 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[N@H+](Cc2snnc2C)CC1(C)C ZINC000974587292 679960589 /nfs/dbraw/zinc/96/05/89/679960589.db2.gz JFNMHGSULAVDKX-YCPHGPKFSA-N 1 2 364.515 2.154 20 30 FEEDLO C=C(Br)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1 ZINC001028152310 680371702 /nfs/dbraw/zinc/37/17/02/680371702.db2.gz SAMKAPWXXYGCSR-QLFBSQMISA-N 1 2 367.291 2.013 20 30 FEEDLO C=C(Br)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1 ZINC001028152310 680371705 /nfs/dbraw/zinc/37/17/05/680371705.db2.gz SAMKAPWXXYGCSR-QLFBSQMISA-N 1 2 367.291 2.013 20 30 FEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2nnc(C)s2)C1 ZINC001028855688 680385033 /nfs/dbraw/zinc/38/50/33/680385033.db2.gz KFCVLNUGFDKMJL-ZOBUZTSGSA-N 1 2 364.515 2.156 20 30 FEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2nnc(C)s2)C1 ZINC001028855688 680385038 /nfs/dbraw/zinc/38/50/38/680385038.db2.gz KFCVLNUGFDKMJL-ZOBUZTSGSA-N 1 2 364.515 2.156 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C#N)s1 ZINC001029480754 680389557 /nfs/dbraw/zinc/38/95/57/680389557.db2.gz JFSXSZDDQDRPGB-NONVJHHQSA-N 1 2 357.479 2.386 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)s1 ZINC001029480754 680389559 /nfs/dbraw/zinc/38/95/59/680389559.db2.gz JFSXSZDDQDRPGB-NONVJHHQSA-N 1 2 357.479 2.386 20 30 FEEDLO C=CCC[C@@H]1CCCN1C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000912239295 685336253 /nfs/dbraw/zinc/33/62/53/685336253.db2.gz PLCMUIJUUKFEIZ-AEFFLSMTSA-N 1 2 353.532 2.335 20 30 FEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C1 ZINC001033875327 680426843 /nfs/dbraw/zinc/42/68/43/680426843.db2.gz QLEIZUKAXKOJTO-XQQFMLRXSA-N 1 2 370.799 2.008 20 30 FEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C1 ZINC001033875327 680426845 /nfs/dbraw/zinc/42/68/45/680426845.db2.gz QLEIZUKAXKOJTO-XQQFMLRXSA-N 1 2 370.799 2.008 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](CC(=C)Br)C1 ZINC001034405048 680434833 /nfs/dbraw/zinc/43/48/33/680434833.db2.gz XSCNZASWVLFGQT-ZNMIVQPWSA-N 1 2 357.292 2.457 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](CC(=C)Br)C1 ZINC001034405048 680434837 /nfs/dbraw/zinc/43/48/37/680434837.db2.gz XSCNZASWVLFGQT-ZNMIVQPWSA-N 1 2 357.292 2.457 20 30 FEEDLO C=C(Br)C[N@H+]1CC=C(CNC(=O)[C@@H]2CCO[C@H]2CC)CC1 ZINC001000971452 680444386 /nfs/dbraw/zinc/44/43/86/680444386.db2.gz DUFJFSPHSLAHKP-CABCVRRESA-N 1 2 357.292 2.458 20 30 FEEDLO C=C(Br)C[N@@H+]1CC=C(CNC(=O)[C@@H]2CCO[C@H]2CC)CC1 ZINC001000971452 680444388 /nfs/dbraw/zinc/44/43/88/680444388.db2.gz DUFJFSPHSLAHKP-CABCVRRESA-N 1 2 357.292 2.458 20 30 FEEDLO COc1nc(N)nc(N2CCCC2)c1C=[NH+]NCc1cccc(Cl)c1 ZINC000756828110 680500100 /nfs/dbraw/zinc/50/01/00/680500100.db2.gz WRIXEYIKLFLDOW-UHFFFAOYSA-N 1 2 360.849 2.445 20 30 FEEDLO O=C(NC1CC[NH+](CC#Cc2ccccc2Cl)CC1)[C@]12C[C@H]1COC2 ZINC001002867247 680512801 /nfs/dbraw/zinc/51/28/01/680512801.db2.gz DSNUADPNCIVNSK-JXFKEZNVSA-N 1 2 358.869 2.309 20 30 FEEDLO Cc1ccn(CN2CC[NH+](Cc3ccccc3Cl)CC2)c(=O)c1C#N ZINC000758236616 680564694 /nfs/dbraw/zinc/56/46/94/680564694.db2.gz DGQXMDOOMMJOMI-UHFFFAOYSA-N 1 2 356.857 2.457 20 30 FEEDLO Cc1nsc(N[C@@H]2CN(C(=O)C[C@@H](C)n3cc[nH+]c3)C[C@H]2C)c1C#N ZINC001043542863 680586556 /nfs/dbraw/zinc/58/65/56/680586556.db2.gz KXZJKQMPDPZGFU-LALPHHSUSA-N 1 2 358.471 2.430 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CC[NH+]([C@@H](C)c2nnc(C)s2)CC1 ZINC001006016179 680590479 /nfs/dbraw/zinc/59/04/79/680590479.db2.gz MVXKGIFLJXPCGP-MAZHCROVSA-N 1 2 364.515 2.421 20 30 FEEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CN(c3ccccn3)C[C@H]2C)C1 ZINC001046327426 680645659 /nfs/dbraw/zinc/64/56/59/680645659.db2.gz JYOBICIEEOUMSU-IDHHARJASA-N 1 2 362.905 2.487 20 30 FEEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CN(c3ccccn3)C[C@H]2C)C1 ZINC001046327426 680645663 /nfs/dbraw/zinc/64/56/63/680645663.db2.gz JYOBICIEEOUMSU-IDHHARJASA-N 1 2 362.905 2.487 20 30 FEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCO[C@H]2c2ccnn2CC)C1 ZINC001007523446 680646216 /nfs/dbraw/zinc/64/62/16/680646216.db2.gz AGOSEDIFQPHDTC-ZMSDIMECSA-N 1 2 366.893 2.314 20 30 FEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCO[C@H]2c2ccnn2CC)C1 ZINC001007523446 680646218 /nfs/dbraw/zinc/64/62/18/680646218.db2.gz AGOSEDIFQPHDTC-ZMSDIMECSA-N 1 2 366.893 2.314 20 30 FEEDLO C[C@@]1(NC(=O)[C@]23C[C@H]2COC3)CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC001046331956 680647279 /nfs/dbraw/zinc/64/72/79/680647279.db2.gz AZSVAWVLDYTTPD-DBVUQKKJSA-N 1 2 358.869 2.309 20 30 FEEDLO C[C@@]1(NC(=O)[C@]23C[C@H]2COC3)CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC001046331956 680647282 /nfs/dbraw/zinc/64/72/82/680647282.db2.gz AZSVAWVLDYTTPD-DBVUQKKJSA-N 1 2 358.869 2.309 20 30 FEEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cccc2nsnc21 ZINC000766094155 680866556 /nfs/dbraw/zinc/86/65/56/680866556.db2.gz YQDYLLHUIOOAEB-GFCCVEGCSA-N 1 2 351.439 2.064 20 30 FEEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cccc2nsnc21 ZINC000766094155 680866557 /nfs/dbraw/zinc/86/65/57/680866557.db2.gz YQDYLLHUIOOAEB-GFCCVEGCSA-N 1 2 351.439 2.064 20 30 FEEDLO C=CCn1c(=O)c2ccc(C(=O)NCCCCCC[NH3+])cc2[nH]c1=S ZINC000843507628 681007393 /nfs/dbraw/zinc/00/73/93/681007393.db2.gz ZMWMNXNEXYZFIX-UHFFFAOYSA-N 1 2 360.483 2.120 20 30 FEEDLO C=C(Br)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1OCC[C@H]1C ZINC001049731073 681037742 /nfs/dbraw/zinc/03/77/42/681037742.db2.gz WYIXTFMFDSAREY-RZFFKMDDSA-N 1 2 357.292 2.385 20 30 FEEDLO C=C(Br)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1OCC[C@H]1C ZINC001049731073 681037745 /nfs/dbraw/zinc/03/77/45/681037745.db2.gz WYIXTFMFDSAREY-RZFFKMDDSA-N 1 2 357.292 2.385 20 30 FEEDLO C[S@@](=O)CC[NH+]1CCN(c2c(C#N)cnc3ccc(Cl)cc32)CC1 ZINC000771146217 681043780 /nfs/dbraw/zinc/04/37/80/681043780.db2.gz MFZHDUROEGIEIY-XMMPIXPASA-N 1 2 362.886 2.260 20 30 FEEDLO Cc1cc(F)cc2c1ncc(C#N)c2N1CC[NH+](CC[S@](C)=O)CC1 ZINC000771148688 681043810 /nfs/dbraw/zinc/04/38/10/681043810.db2.gz WVPHXDNQXSLDRL-VWLOTQADSA-N 1 2 360.458 2.055 20 30 FEEDLO N#Cc1cc(Cl)c(C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)c(Cl)c1 ZINC000912896485 685465894 /nfs/dbraw/zinc/46/58/94/685465894.db2.gz HASWACDIFROWAH-UHFFFAOYSA-N 1 2 370.236 2.044 20 30 FEEDLO N#Cc1cc(Cl)c(C(=O)NCC[N@H+]2CCC3(C2)OCCO3)c(Cl)c1 ZINC000912896485 685465895 /nfs/dbraw/zinc/46/58/95/685465895.db2.gz HASWACDIFROWAH-UHFFFAOYSA-N 1 2 370.236 2.044 20 30 FEEDLO C#CCOc1cccc(Cl)c1C[NH+]1CCC(O)(C(=O)OCC)CC1 ZINC000779158699 681685628 /nfs/dbraw/zinc/68/56/28/681685628.db2.gz WZLMRUIJMIUCEW-UHFFFAOYSA-N 1 2 351.830 2.242 20 30 FEEDLO C=CCCn1cc(C[NH2+]CC(=O)Nc2ccc(Br)cc2)nn1 ZINC000850035158 681843730 /nfs/dbraw/zinc/84/37/30/681843730.db2.gz WIJMHRQJHXIEDW-UHFFFAOYSA-N 1 2 364.247 2.345 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](Cc2csnc2OC)C1 ZINC000969692851 682272810 /nfs/dbraw/zinc/27/28/10/682272810.db2.gz PRUSQXRFEXMQIR-MAZHCROVSA-N 1 2 365.499 2.069 20 30 FEEDLO C=C(C)[C@H](CO)[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C(F)(F)F)C1 ZINC000852673573 682317728 /nfs/dbraw/zinc/31/77/28/682317728.db2.gz KRTICNZUVRQFMT-OAGGEKHMSA-N 1 2 356.388 2.460 20 30 FEEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)C[C@H]21 ZINC000972340001 682407496 /nfs/dbraw/zinc/40/74/96/682407496.db2.gz NWLYQUUZALJEGE-UKRRQHHQSA-N 1 2 364.877 2.180 20 30 FEEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)C[C@H]21 ZINC000972340001 682407502 /nfs/dbraw/zinc/40/75/02/682407502.db2.gz NWLYQUUZALJEGE-UKRRQHHQSA-N 1 2 364.877 2.180 20 30 FEEDLO C#CCCCOc1ccc[nH+]c1NC1CCN(S(=O)(=O)C2CC2)CC1 ZINC000853433510 682413080 /nfs/dbraw/zinc/41/30/80/682413080.db2.gz JJRYOUJLDVREBU-UHFFFAOYSA-N 1 2 363.483 2.242 20 30 FEEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCC[C@H]3C(F)(F)F)C2)C1 ZINC000972421789 682414247 /nfs/dbraw/zinc/41/42/47/682414247.db2.gz KCNZDYVEUXZYQL-INMHGKMJSA-N 1 2 358.404 2.292 20 30 FEEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCC[C@H]3C(F)(F)F)C2)C1 ZINC000972421789 682414251 /nfs/dbraw/zinc/41/42/51/682414251.db2.gz KCNZDYVEUXZYQL-INMHGKMJSA-N 1 2 358.404 2.292 20 30 FEEDLO C#CCC[N@@H+](CCOC)CN1C(=O)C[C@](C)(c2ccc(Cl)cc2)C1=O ZINC000853620717 682446370 /nfs/dbraw/zinc/44/63/70/682446370.db2.gz BAXFNKPSFMLLSH-LJQANCHMSA-N 1 2 362.857 2.286 20 30 FEEDLO C#CCC[N@H+](CCOC)CN1C(=O)C[C@](C)(c2ccc(Cl)cc2)C1=O ZINC000853620717 682446372 /nfs/dbraw/zinc/44/63/72/682446372.db2.gz BAXFNKPSFMLLSH-LJQANCHMSA-N 1 2 362.857 2.286 20 30 FEEDLO C=CCS(=O)(=O)CC[NH2+][C@@H](C)c1nc(Br)ccc1F ZINC000788740199 682554917 /nfs/dbraw/zinc/55/49/17/682554917.db2.gz QAVWRVXXPXSXLC-VIFPVBQESA-N 1 2 351.241 2.235 20 30 FEEDLO C[N@@H+]1CC[C@H](NS(=O)(=O)CC(C)(C)C#N)[C@H]1c1ccc(F)c(F)c1 ZINC000790043802 682651192 /nfs/dbraw/zinc/65/11/92/682651192.db2.gz MDBIXNSQHWLHLW-LSDHHAIUSA-N 1 2 357.426 2.179 20 30 FEEDLO C[N@H+]1CC[C@H](NS(=O)(=O)CC(C)(C)C#N)[C@H]1c1ccc(F)c(F)c1 ZINC000790043802 682651195 /nfs/dbraw/zinc/65/11/95/682651195.db2.gz MDBIXNSQHWLHLW-LSDHHAIUSA-N 1 2 357.426 2.179 20 30 FEEDLO C[NH+](C)Cc1cnc(/C=C\C(=O)c2cccc(NS(C)(=O)=O)c2)s1 ZINC000794707124 682991281 /nfs/dbraw/zinc/99/12/81/682991281.db2.gz KHBOZOCRVGJUHK-FPLPWBNLSA-N 1 2 365.480 2.472 20 30 FEEDLO N#Cc1cc(S(=O)(=O)N2CCC(Nc3cccc[nH+]3)CC2)ccc1F ZINC000920624579 683356665 /nfs/dbraw/zinc/35/66/65/683356665.db2.gz GMKDLARPXQKDPK-UHFFFAOYSA-N 1 2 360.414 2.358 20 30 FEEDLO C=CCN1CC[C@@H]([N@H+]2CCN(C(=O)OC(C)(C)C)C[C@@H]2CCC)C1=O ZINC000799163723 683430838 /nfs/dbraw/zinc/43/08/38/683430838.db2.gz MZPLJPNVLQKKGU-JKSUJKDBSA-N 1 2 351.491 2.495 20 30 FEEDLO C=CCN1CC[C@@H]([N@@H+]2CCN(C(=O)OC(C)(C)C)C[C@@H]2CCC)C1=O ZINC000799163723 683430842 /nfs/dbraw/zinc/43/08/42/683430842.db2.gz MZPLJPNVLQKKGU-JKSUJKDBSA-N 1 2 351.491 2.495 20 30 FEEDLO C=CCN1CC[C@@H]([N@H+]2CCN(C(=O)OC(C)(C)C)[C@@H](C(C)C)C2)C1=O ZINC000799166404 683431563 /nfs/dbraw/zinc/43/15/63/683431563.db2.gz BHXDVRQPZAQAJJ-HZPDHXFCSA-N 1 2 351.491 2.351 20 30 FEEDLO C=CCN1CC[C@@H]([N@@H+]2CCN(C(=O)OC(C)(C)C)[C@@H](C(C)C)C2)C1=O ZINC000799166404 683431566 /nfs/dbraw/zinc/43/15/66/683431566.db2.gz BHXDVRQPZAQAJJ-HZPDHXFCSA-N 1 2 351.491 2.351 20 30 FEEDLO C[C@@](O)(C[NH+]1CCN(c2cc(C#N)ccn2)CC1)C(F)(F)C(F)(F)F ZINC000929270546 683571646 /nfs/dbraw/zinc/57/16/46/683571646.db2.gz UDHPYAHCASNWIQ-CYBMUJFWSA-N 1 2 364.318 2.024 20 30 FEEDLO C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCCn1cc[nH+]c1 ZINC000864413723 683847885 /nfs/dbraw/zinc/84/78/85/683847885.db2.gz RKGLZCIDOOOOQH-CYBMUJFWSA-N 1 2 356.854 2.425 20 30 FEEDLO N#Cc1cc([N+](=O)[O-])c(NC[C@@]2([NH+]3CCOCC3)CCSC2)cc1F ZINC000865460817 683985770 /nfs/dbraw/zinc/98/57/70/683985770.db2.gz UJDZMNPBRHNPNA-INIZCTEOSA-N 1 2 366.418 2.225 20 30 FEEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCc2c(=O)[nH]n(C)c2C1 ZINC000931196067 684238524 /nfs/dbraw/zinc/23/85/24/684238524.db2.gz FHUANKAJAINNLQ-JTQLQIEISA-N 1 2 359.817 2.036 20 30 FEEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCc2c(=O)[nH]n(C)c2C1 ZINC000931196067 684238527 /nfs/dbraw/zinc/23/85/27/684238527.db2.gz FHUANKAJAINNLQ-JTQLQIEISA-N 1 2 359.817 2.036 20 30 FEEDLO N#Cc1sccc1S(=O)(=O)N1CC2(C1)C[NH+](Cc1ccccc1)C2 ZINC000867580940 684320600 /nfs/dbraw/zinc/32/06/00/684320600.db2.gz GZVOQGMCRPALGC-UHFFFAOYSA-N 1 2 359.476 2.126 20 30 FEEDLO CC(C)(C)OC(=O)N[C@@H]1C[N@H+](C[C@H](O)CC#N)CC[C@H]1C(F)(F)F ZINC000931982473 684381755 /nfs/dbraw/zinc/38/17/55/684381755.db2.gz SHDMWCAWRNTQRA-IJLUTSLNSA-N 1 2 351.369 2.038 20 30 FEEDLO CC(C)(C)OC(=O)N[C@@H]1C[N@@H+](C[C@H](O)CC#N)CC[C@H]1C(F)(F)F ZINC000931982473 684381756 /nfs/dbraw/zinc/38/17/56/684381756.db2.gz SHDMWCAWRNTQRA-IJLUTSLNSA-N 1 2 351.369 2.038 20 30 FEEDLO C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000868264352 684472334 /nfs/dbraw/zinc/47/23/34/684472334.db2.gz KMWINJONJOKAEM-JSGCOSHPSA-N 1 2 368.865 2.350 20 30 FEEDLO Cc1ccc(S(=O)(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)c(C#N)c1 ZINC000872383953 684942554 /nfs/dbraw/zinc/94/25/54/684942554.db2.gz KLYIXJZDGXIJOR-UHFFFAOYSA-N 1 2 359.455 2.131 20 30 FEEDLO C=CCS(=O)(=O)CCNC(=O)Nc1ccc2c(cc[nH+]c2N(C)C)c1 ZINC000879716702 686894144 /nfs/dbraw/zinc/89/41/44/686894144.db2.gz GIZWZNUWWZRYAC-UHFFFAOYSA-N 1 2 362.455 2.023 20 30 FEEDLO N#CCCN(C(=O)C[N@H+]1CC[C@](CO)(C(F)(F)F)C1)c1ccccc1 ZINC000886795675 688313767 /nfs/dbraw/zinc/31/37/67/688313767.db2.gz ZPKRQMLNVONODH-INIZCTEOSA-N 1 2 355.360 2.180 20 30 FEEDLO N#CCCN(C(=O)C[N@@H+]1CC[C@](CO)(C(F)(F)F)C1)c1ccccc1 ZINC000886795675 688313773 /nfs/dbraw/zinc/31/37/73/688313773.db2.gz ZPKRQMLNVONODH-INIZCTEOSA-N 1 2 355.360 2.180 20 30 FEEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(CSCC)c2)C1 ZINC000891607472 689083286 /nfs/dbraw/zinc/08/32/86/689083286.db2.gz UGSZLOBHCAZBRX-QGZVFWFLSA-N 1 2 359.495 2.092 20 30 FEEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(CSCC)c2)C1 ZINC000891607472 689083288 /nfs/dbraw/zinc/08/32/88/689083288.db2.gz UGSZLOBHCAZBRX-QGZVFWFLSA-N 1 2 359.495 2.092 20 30 FEEDLO CSc1ccc(C[NH2+]Cc2nc(Br)nn2C)cc1C#N ZINC000895776733 689770204 /nfs/dbraw/zinc/77/02/04/689770204.db2.gz LKBNCXKBPCQFCY-UHFFFAOYSA-N 1 2 352.261 2.461 20 30 FEEDLO NC(=O)[C@H]([NH2+]CC#C[C@H]1CCCCO1)c1cccc(Br)c1 ZINC000901704379 690681930 /nfs/dbraw/zinc/68/19/30/690681930.db2.gz SMZVGMQAPAXNQJ-HUUCEWRRSA-N 1 2 351.244 2.138 20 30 FEEDLO NC(=O)[C@H]([NH2+]CC#C[C@H]1CCCCO1)c1ccc(Br)cc1 ZINC000901704417 690682026 /nfs/dbraw/zinc/68/20/26/690682026.db2.gz TYAZXHJUERPMGU-HUUCEWRRSA-N 1 2 351.244 2.138 20 30 FEEDLO C[N@H+](CCC#N)C[C@H](O)CNc1ccc(Cl)c(NC(=O)C2CC2)c1 ZINC000905543377 691137329 /nfs/dbraw/zinc/13/73/29/691137329.db2.gz ZRQJWJRSDOYMAI-CQSZACIVSA-N 1 2 350.850 2.307 20 30 FEEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1ccc(Cl)c(NC(=O)C2CC2)c1 ZINC000905543377 691137331 /nfs/dbraw/zinc/13/73/31/691137331.db2.gz ZRQJWJRSDOYMAI-CQSZACIVSA-N 1 2 350.850 2.307 20 30 FEEDLO Cc1[nH]c(=S)sc1CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000017843873 539644097 /nfs/dbraw/zinc/64/40/97/539644097.db2.gz VAKACVLRBGVZEQ-UHFFFAOYSA-N 1 2 372.519 2.499 20 30 FEEDLO Cc1[nH+]c2cc(NC(=O)C(=O)N=c3[nH]n(C(C)C)cc3C#N)ccc2n1C ZINC000527437461 539703684 /nfs/dbraw/zinc/70/36/84/539703684.db2.gz SAURAAAQBKGUQJ-UHFFFAOYSA-N 1 2 365.397 2.108 20 30 FEEDLO CCNC(=O)C[N@H+](CC)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 ZINC000024681157 539738015 /nfs/dbraw/zinc/73/80/15/539738015.db2.gz UOXKVZUFVYUYCN-UHFFFAOYSA-N 1 2 373.501 2.488 20 30 FEEDLO CCNC(=O)C[N@@H+](CC)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 ZINC000024681157 539738018 /nfs/dbraw/zinc/73/80/18/539738018.db2.gz UOXKVZUFVYUYCN-UHFFFAOYSA-N 1 2 373.501 2.488 20 30 FEEDLO Cn1c2nnc(C[N@H+](C)Cc3cccc(C#N)c3)n2c2ccccc2c1=O ZINC000026326357 539783766 /nfs/dbraw/zinc/78/37/66/539783766.db2.gz GJCCGMHBLSKEKF-UHFFFAOYSA-N 1 2 358.405 2.085 20 30 FEEDLO Cn1c2nnc(C[N@@H+](C)Cc3cccc(C#N)c3)n2c2ccccc2c1=O ZINC000026326357 539783770 /nfs/dbraw/zinc/78/37/70/539783770.db2.gz GJCCGMHBLSKEKF-UHFFFAOYSA-N 1 2 358.405 2.085 20 30 FEEDLO Cn1cc(C[N@H+](C)CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)cn1 ZINC000027215310 539802679 /nfs/dbraw/zinc/80/26/79/539802679.db2.gz CFGMJDBTTDFQQM-UHFFFAOYSA-N 1 2 364.371 2.039 20 30 FEEDLO Cn1cc(C[N@@H+](C)CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)cn1 ZINC000027215310 539802684 /nfs/dbraw/zinc/80/26/84/539802684.db2.gz CFGMJDBTTDFQQM-UHFFFAOYSA-N 1 2 364.371 2.039 20 30 FEEDLO CCc1nnsc1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000028690953 539834828 /nfs/dbraw/zinc/83/48/28/539834828.db2.gz SEBDEUOQANJALG-UHFFFAOYSA-N 1 2 355.467 2.320 20 30 FEEDLO CCc1nnsc1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000028690953 539834832 /nfs/dbraw/zinc/83/48/32/539834832.db2.gz SEBDEUOQANJALG-UHFFFAOYSA-N 1 2 355.467 2.320 20 30 FEEDLO CC(C)CCC[C@@H](C)NC(=O)C[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000029446426 539853657 /nfs/dbraw/zinc/85/36/57/539853657.db2.gz KFJYSBURZLIIDM-QGZVFWFLSA-N 1 2 357.502 2.406 20 30 FEEDLO Cc1ccccc1CNC(=O)C[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000029857988 539866946 /nfs/dbraw/zinc/86/69/46/539866946.db2.gz IFZFOHMKTALEDU-UHFFFAOYSA-N 1 2 366.440 2.444 20 30 FEEDLO N#CC1(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)CCCC1 ZINC000032237251 539931151 /nfs/dbraw/zinc/93/11/51/539931151.db2.gz IWTXVXONRHUBRX-UHFFFAOYSA-N 1 2 355.438 2.186 20 30 FEEDLO CSc1nc(C2CC2)cc(C(=O)NCC(C)(C)[NH+]2CCOCC2)c1C#N ZINC000041796182 540033928 /nfs/dbraw/zinc/03/39/28/540033928.db2.gz UBYWHGHHBNGKDX-UHFFFAOYSA-N 1 2 374.510 2.393 20 30 FEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000042354542 540060027 /nfs/dbraw/zinc/06/00/27/540060027.db2.gz VUIMHLKTLSCGTC-GOSISDBHSA-N 1 2 352.482 2.265 20 30 FEEDLO C=CCN(CC=C)C(=O)[C@@H](C)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000042354542 540060029 /nfs/dbraw/zinc/06/00/29/540060029.db2.gz VUIMHLKTLSCGTC-GOSISDBHSA-N 1 2 352.482 2.265 20 30 FEEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN(Cc2cn3ccccc3n2)CC1 ZINC000042537882 540065951 /nfs/dbraw/zinc/06/59/51/540065951.db2.gz PFGLQILLSKEMCK-SFHVURJKSA-N 1 2 369.513 2.265 20 30 FEEDLO COc1cc(C#N)ccc1OCC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000042636317 540071371 /nfs/dbraw/zinc/07/13/71/540071371.db2.gz FDDZIVFQIRCHIN-UHFFFAOYSA-N 1 2 366.421 2.257 20 30 FEEDLO C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000043329559 540097624 /nfs/dbraw/zinc/09/76/24/540097624.db2.gz YUVJMSBJGSZYMS-MRXNPFEDSA-N 1 2 369.469 2.109 20 30 FEEDLO C=CCSCCNC(=O)C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000550421206 674094527 /nfs/dbraw/zinc/09/45/27/674094527.db2.gz QLIIEYCFGHJJSK-OAHLLOKOSA-N 1 2 369.918 2.094 20 30 FEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1Cc2c(OC)ccc(OC)c2[C@H](O)C1 ZINC000046515074 540260388 /nfs/dbraw/zinc/26/03/88/540260388.db2.gz UOMBGIOFSUMAFO-GDBMZVCRSA-N 1 2 360.454 2.142 20 30 FEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1Cc2c(OC)ccc(OC)c2[C@H](O)C1 ZINC000046515074 540260390 /nfs/dbraw/zinc/26/03/90/540260390.db2.gz UOMBGIOFSUMAFO-GDBMZVCRSA-N 1 2 360.454 2.142 20 30 FEEDLO CCOC(=O)N[C@H]1CCC[N@H+](CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000047795909 540328985 /nfs/dbraw/zinc/32/89/85/540328985.db2.gz SBRYGRQANQCFQT-INIZCTEOSA-N 1 2 358.442 2.144 20 30 FEEDLO CCOC(=O)N[C@H]1CCC[N@@H+](CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000047795909 540328990 /nfs/dbraw/zinc/32/89/90/540328990.db2.gz SBRYGRQANQCFQT-INIZCTEOSA-N 1 2 358.442 2.144 20 30 FEEDLO C[C@H](C(=O)N(C)C1CCCCC1)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000047859004 540330919 /nfs/dbraw/zinc/33/09/19/540330919.db2.gz WTCSFDHWBVEFHJ-MRXNPFEDSA-N 1 2 355.486 2.255 20 30 FEEDLO COc1ccc(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)cc1[N+](=O)[O-] ZINC000047856957 540331057 /nfs/dbraw/zinc/33/10/57/540331057.db2.gz CYDDHMBLTAUGRX-UHFFFAOYSA-N 1 2 353.382 2.192 20 30 FEEDLO C=CCNC(=O)c1ccc(NC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000048149214 540347947 /nfs/dbraw/zinc/34/79/47/540347947.db2.gz BDQNFOIZXBGIHH-UHFFFAOYSA-N 1 2 365.437 2.352 20 30 FEEDLO C[N@H+](Cc1cccc(C#N)c1)[C@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000050784471 540414382 /nfs/dbraw/zinc/41/43/82/540414382.db2.gz WIIWYCLIOFXJKW-KRWDZBQOSA-N 1 2 364.361 2.230 20 30 FEEDLO C[N@@H+](Cc1cccc(C#N)c1)[C@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000050784471 540414386 /nfs/dbraw/zinc/41/43/86/540414386.db2.gz WIIWYCLIOFXJKW-KRWDZBQOSA-N 1 2 364.361 2.230 20 30 FEEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN(Cc2csc(C(C)(C)C)n2)CC1 ZINC000052073084 540453434 /nfs/dbraw/zinc/45/34/34/540453434.db2.gz HBTRKWRBPBRVJM-CQSZACIVSA-N 1 2 350.532 2.249 20 30 FEEDLO C[N@H+](CC(=O)N(CCC#N)CCC#N)Cc1ccc(Br)o1 ZINC000054989405 540620845 /nfs/dbraw/zinc/62/08/45/540620845.db2.gz PKOGEXVYJXQGOJ-UHFFFAOYSA-N 1 2 353.220 2.130 20 30 FEEDLO C[N@@H+](CC(=O)N(CCC#N)CCC#N)Cc1ccc(Br)o1 ZINC000054989405 540620846 /nfs/dbraw/zinc/62/08/46/540620846.db2.gz PKOGEXVYJXQGOJ-UHFFFAOYSA-N 1 2 353.220 2.130 20 30 FEEDLO N#Cc1ccc(NCC(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)nc1 ZINC000540115982 541028255 /nfs/dbraw/zinc/02/82/55/541028255.db2.gz GBECFRFIVODLHI-UHFFFAOYSA-N 1 2 364.453 2.457 20 30 FEEDLO CC(C)(C)c1ccc(OCC(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1 ZINC000060634071 541120011 /nfs/dbraw/zinc/12/00/11/541120011.db2.gz VPVGMGLNYTZETB-UHFFFAOYSA-N 1 2 373.497 2.437 20 30 FEEDLO COc1cc(C(N)=[NH+]OCC(=O)N2CCCCC2)cc(Cl)c1OC ZINC000063458401 541168740 /nfs/dbraw/zinc/16/87/40/541168740.db2.gz ISIDRVLARYYDJQ-UHFFFAOYSA-N 1 2 355.822 2.007 20 30 FEEDLO Cc1ccc(CNC(=O)C[N@@H+]2CCCN(c3ncccc3C#N)CC2)cc1 ZINC000064634335 541214208 /nfs/dbraw/zinc/21/42/08/541214208.db2.gz GMMUXWNTNOLYHH-UHFFFAOYSA-N 1 2 363.465 2.090 20 30 FEEDLO Cc1ccc(CNC(=O)C[N@H+]2CCCN(c3ncccc3C#N)CC2)cc1 ZINC000064634335 541214209 /nfs/dbraw/zinc/21/42/09/541214209.db2.gz GMMUXWNTNOLYHH-UHFFFAOYSA-N 1 2 363.465 2.090 20 30 FEEDLO NC(=[NH+]OCC(=O)NCc1cccs1)c1ccc(N2CCCCC2)nc1 ZINC000064430420 541205636 /nfs/dbraw/zinc/20/56/36/541205636.db2.gz YLGATGNQVBZCKS-UHFFFAOYSA-N 1 2 373.482 2.087 20 30 FEEDLO C[C@H]1CCC[C@H](NC(=O)CN2CC[NH+](Cc3cccc(C#N)c3)CC2)C1 ZINC000066566740 541337834 /nfs/dbraw/zinc/33/78/34/541337834.db2.gz ZGMVHLSQHDJVEH-PXNSSMCTSA-N 1 2 354.498 2.371 20 30 FEEDLO N#Cc1ccc(N2CCC[C@H](NC(=O)NCCCn3cc[nH+]c3)C2)c(F)c1 ZINC000069376747 541681663 /nfs/dbraw/zinc/68/16/63/541681663.db2.gz IZRXDHRNMKFNHM-INIZCTEOSA-N 1 2 370.432 2.252 20 30 FEEDLO CSc1[nH]c(=O)c(C(=O)NCc2ccc(C[NH+](C)C)cc2)cc1C#N ZINC000074344964 542072166 /nfs/dbraw/zinc/07/21/66/542072166.db2.gz JULALTFXCGOACS-UHFFFAOYSA-N 1 2 356.451 2.372 20 30 FEEDLO CSc1[nH]c(=O)c(C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)cc1C#N ZINC000074344450 542071342 /nfs/dbraw/zinc/07/13/42/542071342.db2.gz HJZQYNJHDFUYBB-HNNXBMFYSA-N 1 2 370.478 2.283 20 30 FEEDLO N#Cc1cccc(-c2nnc(C[NH+]3CCC(N4CCCC4=O)CC3)o2)c1 ZINC000075717389 542200352 /nfs/dbraw/zinc/20/03/52/542200352.db2.gz DBYGYFPIIFYRML-UHFFFAOYSA-N 1 2 351.410 2.195 20 30 FEEDLO Cc1oc(NC(=O)[C@@H](C)[NH+]2CCC(NC(=O)C(C)C)CC2)c(C#N)c1C ZINC000076968753 542336877 /nfs/dbraw/zinc/33/68/77/542336877.db2.gz IBXHZSOZELWODQ-CYBMUJFWSA-N 1 2 360.458 2.332 20 30 FEEDLO C[C@H](C#N)CSc1ccccc1NC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000077466339 542385111 /nfs/dbraw/zinc/38/51/11/542385111.db2.gz HIRFMYXFJALHGT-CABCVRRESA-N 1 2 361.515 2.306 20 30 FEEDLO C[C@H](C#N)CSc1ccccc1NC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000077466339 542385113 /nfs/dbraw/zinc/38/51/13/542385113.db2.gz HIRFMYXFJALHGT-CABCVRRESA-N 1 2 361.515 2.306 20 30 FEEDLO COc1cccc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1O ZINC000078227418 542448413 /nfs/dbraw/zinc/44/84/13/542448413.db2.gz GTGDKGFRGPMCRA-UHFFFAOYSA-N 1 2 351.406 2.230 20 30 FEEDLO Cc1c(Cl)cccc1NC(=O)CN(CCC#N)CC[NH+]1CCOCC1 ZINC000078681419 542476242 /nfs/dbraw/zinc/47/62/42/542476242.db2.gz XSDFCMVUKDUIIM-UHFFFAOYSA-N 1 2 364.877 2.135 20 30 FEEDLO C[C@@H](CCc1cccc(F)c1)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000079844620 542545305 /nfs/dbraw/zinc/54/53/05/542545305.db2.gz PAJCMMFUBMIISX-KRWDZBQOSA-N 1 2 361.461 2.469 20 30 FEEDLO CCOC(=O)C[N@@H+]1CCCN(c2c(C#N)cnc3c(C)cccc32)CC1 ZINC000081017687 542624663 /nfs/dbraw/zinc/62/46/63/542624663.db2.gz QSIXUPNSVLOZEP-UHFFFAOYSA-N 1 2 352.438 2.490 20 30 FEEDLO CCOC(=O)C[N@H+]1CCCN(c2c(C#N)cnc3c(C)cccc32)CC1 ZINC000081017687 542624667 /nfs/dbraw/zinc/62/46/67/542624667.db2.gz QSIXUPNSVLOZEP-UHFFFAOYSA-N 1 2 352.438 2.490 20 30 FEEDLO Cc1nc(C2CC[NH+]([C@H]3CCN(c4sccc4C#N)C3=O)CC2)no1 ZINC000083170003 542693187 /nfs/dbraw/zinc/69/31/87/542693187.db2.gz MYMPTXDVDODKPZ-AWEZNQCLSA-N 1 2 357.439 2.296 20 30 FEEDLO N#CCCN(C(=O)C[N@@H+]1CCCC2(C1)OCCO2)c1cccc(Cl)c1 ZINC000090562518 542786434 /nfs/dbraw/zinc/78/64/34/542786434.db2.gz KDEBWRRTTOLNNV-UHFFFAOYSA-N 1 2 363.845 2.426 20 30 FEEDLO N#CCCN(C(=O)C[N@H+]1CCCC2(C1)OCCO2)c1cccc(Cl)c1 ZINC000090562518 542786437 /nfs/dbraw/zinc/78/64/37/542786437.db2.gz KDEBWRRTTOLNNV-UHFFFAOYSA-N 1 2 363.845 2.426 20 30 FEEDLO C[C@H](c1cccc(F)c1)[NH+]1CCN(CC(=O)N(CCC#N)CCC#N)CC1 ZINC000091981192 542834965 /nfs/dbraw/zinc/83/49/65/542834965.db2.gz BMBGCZIOSYDNOT-QGZVFWFLSA-N 1 2 371.460 2.160 20 30 FEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](CC(=O)Nc1ccc(F)cc1)C(C)C ZINC000103491357 543111835 /nfs/dbraw/zinc/11/18/35/543111835.db2.gz QKTQASDLVHKWGF-HNNXBMFYSA-N 1 2 362.449 2.483 20 30 FEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](CC(=O)Nc1ccc(F)cc1)C(C)C ZINC000103491357 543111839 /nfs/dbraw/zinc/11/18/39/543111839.db2.gz QKTQASDLVHKWGF-HNNXBMFYSA-N 1 2 362.449 2.483 20 30 FEEDLO N#CCCCS(=O)(=O)NCc1ccc(N2CCc3ccccc3C2)[nH+]c1 ZINC000111330146 543397190 /nfs/dbraw/zinc/39/71/90/543397190.db2.gz LKLRZQCIQYFCRC-UHFFFAOYSA-N 1 2 370.478 2.367 20 30 FEEDLO C=CCOc1ccccc1CNC(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000111886019 543423474 /nfs/dbraw/zinc/42/34/74/543423474.db2.gz UQBWDOZWRQWJIJ-UHFFFAOYSA-N 1 2 369.469 2.012 20 30 FEEDLO N#Cc1ccc([C@H](C(N)=O)[NH+]2CCC(C(=O)c3ccc(O)cc3)CC2)cc1 ZINC000115533964 543571510 /nfs/dbraw/zinc/57/15/10/543571510.db2.gz MCJSBEBKKYGDJJ-LJQANCHMSA-N 1 2 363.417 2.385 20 30 FEEDLO N#Cc1ccc([C@@H]([NH2+][C@H]2CCN(c3ccccc3Cl)C2=O)C(N)=O)cc1 ZINC000115599960 543577927 /nfs/dbraw/zinc/57/79/27/543577927.db2.gz KAEXQAPSWVQQHS-DOTOQJQBSA-N 1 2 368.824 2.133 20 30 FEEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@@H]1C(=O)Nc1cc(C)ccc1OC ZINC000117892020 543641200 /nfs/dbraw/zinc/64/12/00/543641200.db2.gz BWQXNTAZFSYODN-QGZVFWFLSA-N 1 2 372.469 2.169 20 30 FEEDLO CCN(CCC#N)C(=O)C[N@H+]1CCC[C@@H]1C(=O)Nc1cc(C)ccc1OC ZINC000117892020 543641202 /nfs/dbraw/zinc/64/12/02/543641202.db2.gz BWQXNTAZFSYODN-QGZVFWFLSA-N 1 2 372.469 2.169 20 30 FEEDLO COc1cc(OC)c(C[NH+]2CCN(c3ncccc3C#N)CC2)c(OC)c1 ZINC000122951095 543733347 /nfs/dbraw/zinc/73/33/47/543733347.db2.gz QNIIRHQEQZJLAA-UHFFFAOYSA-N 1 2 368.437 2.301 20 30 FEEDLO C=CCCOCCNC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000122475324 543707252 /nfs/dbraw/zinc/70/72/52/543707252.db2.gz ABUMIYBXJJKDEQ-HOTGVXAUSA-N 1 2 362.474 2.087 20 30 FEEDLO C[C@@H](C(=O)NC1CC1)N1CC[NH+](Cc2cccc(OCCCC#N)c2)CC1 ZINC000123312538 543754753 /nfs/dbraw/zinc/75/47/53/543754753.db2.gz MYBKGULBVFGPPN-KRWDZBQOSA-N 1 2 370.497 2.154 20 30 FEEDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(Cc2cccc(OCCCC#N)c2)CC1 ZINC000123312538 543754757 /nfs/dbraw/zinc/75/47/57/543754757.db2.gz MYBKGULBVFGPPN-KRWDZBQOSA-N 1 2 370.497 2.154 20 30 FEEDLO C=CCCOCCNC(=O)N1CC[NH+](Cc2ccc(OC)c(F)c2)CC1 ZINC000127094805 543971990 /nfs/dbraw/zinc/97/19/90/543971990.db2.gz FCAUYULMBBTVHL-UHFFFAOYSA-N 1 2 365.449 2.254 20 30 FEEDLO Cc1ccc(C(=O)N2CC[NH+](C[C@@H](O)c3ccc(C#N)cc3)CC2)cc1F ZINC000127158473 543976341 /nfs/dbraw/zinc/97/63/41/543976341.db2.gz AXKPQTHEEPEOCB-HXUWFJFHSA-N 1 2 367.424 2.497 20 30 FEEDLO Cc1cc(C(=O)N2CC[NH+](C[C@H](O)c3ccc(C#N)cc3)CC2)c(C)o1 ZINC000127292770 543983471 /nfs/dbraw/zinc/98/34/71/543983471.db2.gz PQQODDVADYIONS-IBGZPJMESA-N 1 2 353.422 2.260 20 30 FEEDLO N#CCOc1ccccc1C(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000130838129 544167117 /nfs/dbraw/zinc/16/71/17/544167117.db2.gz NDJJRBLEGARMLN-UHFFFAOYSA-N 1 2 351.406 2.253 20 30 FEEDLO Cc1cc(N(CCC#N)C(=O)C[N@H+](CC(N)=O)C(C)(C)C)ccc1Cl ZINC000131266653 544183281 /nfs/dbraw/zinc/18/32/81/544183281.db2.gz CSSUFDVZFOYMRT-UHFFFAOYSA-N 1 2 364.877 2.481 20 30 FEEDLO Cc1cc(N(CCC#N)C(=O)C[N@@H+](CC(N)=O)C(C)(C)C)ccc1Cl ZINC000131266653 544183284 /nfs/dbraw/zinc/18/32/84/544183284.db2.gz CSSUFDVZFOYMRT-UHFFFAOYSA-N 1 2 364.877 2.481 20 30 FEEDLO C=CCC(CC=C)C(=O)N1CC[NH+](CCNC(=O)c2ccccc2F)CC1 ZINC000131978391 544214212 /nfs/dbraw/zinc/21/42/12/544214212.db2.gz FGGKIMOZULLBPO-UHFFFAOYSA-N 1 2 373.472 2.468 20 30 FEEDLO C[C@H]1CCCCN1C(=O)C[NH+]1CCN(CC#Cc2ccc(F)cc2)CC1 ZINC000132232289 544223632 /nfs/dbraw/zinc/22/36/32/544223632.db2.gz UJWJYRMZDRSFMT-SFHVURJKSA-N 1 2 357.473 2.196 20 30 FEEDLO Cn1cc(C#N)cc1C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000133448583 544270731 /nfs/dbraw/zinc/27/07/31/544270731.db2.gz UGNGSTJYTMSLIK-QZTJIDSGSA-N 1 2 372.856 2.352 20 30 FEEDLO Cn1cc(C#N)cc1C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000133448583 544270733 /nfs/dbraw/zinc/27/07/33/544270733.db2.gz UGNGSTJYTMSLIK-QZTJIDSGSA-N 1 2 372.856 2.352 20 30 FEEDLO CN(CCCn1cc[nH+]c1)S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000134540049 544312627 /nfs/dbraw/zinc/31/26/27/544312627.db2.gz DECWAZCNPOYKEU-UHFFFAOYSA-N 1 2 372.372 2.484 20 30 FEEDLO COC(=O)c1ccc(C[NH+]2CCN(c3ncccc3C#N)CC2)c(F)c1 ZINC000134860739 544324005 /nfs/dbraw/zinc/32/40/05/544324005.db2.gz AFJPTMBXEBBBAD-UHFFFAOYSA-N 1 2 354.385 2.201 20 30 FEEDLO CS(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1CC#Cc1ccccc1Cl ZINC000134995633 544330544 /nfs/dbraw/zinc/33/05/44/544330544.db2.gz SDRYVGLKIIPLIW-INIZCTEOSA-N 1 2 354.903 2.485 20 30 FEEDLO CS(=O)(=O)NCC[C@@H]1CCCC[N@H+]1CC#Cc1ccccc1Cl ZINC000134995633 544330546 /nfs/dbraw/zinc/33/05/46/544330546.db2.gz SDRYVGLKIIPLIW-INIZCTEOSA-N 1 2 354.903 2.485 20 30 FEEDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)C#Cc2ccc3c(c2)OCO3)CC1 ZINC000136281150 544370400 /nfs/dbraw/zinc/37/04/00/544370400.db2.gz VDDTXNITXXWSES-INIZCTEOSA-N 1 2 363.417 2.067 20 30 FEEDLO CCOC(=O)c1sc([C@H](C)[NH2+][C@H](C)C(=O)N(C)CCC#N)nc1C ZINC000151741119 544574465 /nfs/dbraw/zinc/57/44/65/544574465.db2.gz MWMRGEPRZAPRRM-NWDGAFQWSA-N 1 2 352.460 2.039 20 30 FEEDLO C#CCOCCC(=O)N1CCC[N@@H+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000152697932 544684132 /nfs/dbraw/zinc/68/41/32/544684132.db2.gz ICCKCLGUVKHPLM-UHFFFAOYSA-N 1 2 374.872 2.062 20 30 FEEDLO C#CCOCCC(=O)N1CCC[N@H+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000152697932 544684134 /nfs/dbraw/zinc/68/41/34/544684134.db2.gz ICCKCLGUVKHPLM-UHFFFAOYSA-N 1 2 374.872 2.062 20 30 FEEDLO C=CCNC(=O)CN1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000153263629 544753656 /nfs/dbraw/zinc/75/36/56/544753656.db2.gz DANOWCRTBPYDIC-UHFFFAOYSA-N 1 2 356.297 2.456 20 30 FEEDLO C=CCNC(=O)C[NH+]1CCN(CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000153263629 544753662 /nfs/dbraw/zinc/75/36/62/544753662.db2.gz DANOWCRTBPYDIC-UHFFFAOYSA-N 1 2 356.297 2.456 20 30 FEEDLO C#CCOc1ccc(F)cc1NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000153646828 544803093 /nfs/dbraw/zinc/80/30/93/544803093.db2.gz OWRKOJNAHVCRPB-MRXNPFEDSA-N 1 2 361.417 2.166 20 30 FEEDLO Cc1nn(C)c(C)c1C[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000154821812 544953672 /nfs/dbraw/zinc/95/36/72/544953672.db2.gz MFBSDIWXKNARIW-UHFFFAOYSA-N 1 2 366.425 2.479 20 30 FEEDLO CN(C)S(=O)(=O)n1ccnc1C[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000552313160 674201575 /nfs/dbraw/zinc/20/15/75/674201575.db2.gz QLQPMBQZEXGRSB-INIZCTEOSA-N 1 2 361.471 2.062 20 30 FEEDLO Cc1cc(NC(=O)CN2CC[NH+]([C@@H](C)c3cccc(C#N)c3)CC2)no1 ZINC000186297164 327955851 /nfs/dbraw/zinc/95/58/51/327955851.db2.gz LQDZCZSTSLTXCB-HNNXBMFYSA-N 1 2 353.426 2.172 20 30 FEEDLO CC(C)CN1CC[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1=O ZINC000187080601 328000913 /nfs/dbraw/zinc/00/09/13/328000913.db2.gz BNHODSSQEKBYNQ-UHFFFAOYSA-N 1 2 362.861 2.340 20 30 FEEDLO CC(C)CN1CC[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1=O ZINC000187080601 328000914 /nfs/dbraw/zinc/00/09/14/328000914.db2.gz BNHODSSQEKBYNQ-UHFFFAOYSA-N 1 2 362.861 2.340 20 30 FEEDLO CCS(=O)(=O)N(C)C1CC[NH+](Cc2ccc(Cl)cc2C#N)CC1 ZINC000187248405 328010956 /nfs/dbraw/zinc/01/09/56/328010956.db2.gz VGXXVUSWEZHATI-UHFFFAOYSA-N 1 2 355.891 2.458 20 30 FEEDLO COC(=O)[C@@H](C)[N@H+](C1CCC1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192811542 328341006 /nfs/dbraw/zinc/34/10/06/328341006.db2.gz IUIZMCSSUYDEQX-RDTXWAMCSA-N 1 2 355.438 2.470 20 30 FEEDLO COC(=O)[C@@H](C)[N@@H+](C1CCC1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192811542 328341008 /nfs/dbraw/zinc/34/10/08/328341008.db2.gz IUIZMCSSUYDEQX-RDTXWAMCSA-N 1 2 355.438 2.470 20 30 FEEDLO COc1cc(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)cc2c1OCCO2 ZINC000193854116 328399097 /nfs/dbraw/zinc/39/90/97/328399097.db2.gz FRVYYCWJLAVKQU-UHFFFAOYSA-N 1 2 366.421 2.055 20 30 FEEDLO COc1cc(C#N)ccc1OC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000078062750 325030020 /nfs/dbraw/zinc/03/00/20/325030020.db2.gz MZIUXISBAZGMOX-LJQANCHMSA-N 1 2 352.390 2.373 20 30 FEEDLO COc1cc(C#N)ccc1OC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000078062750 325030024 /nfs/dbraw/zinc/03/00/24/325030024.db2.gz MZIUXISBAZGMOX-LJQANCHMSA-N 1 2 352.390 2.373 20 30 FEEDLO C[C@H](C(=O)Nc1ccccc1C#N)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000081019011 325154089 /nfs/dbraw/zinc/15/40/89/325154089.db2.gz BMLSMWZZPKAVGF-MRXNPFEDSA-N 1 2 364.449 2.409 20 30 FEEDLO C[N@H+](CCOc1ccccc1F)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000081512382 325179507 /nfs/dbraw/zinc/17/95/07/325179507.db2.gz NGMJYFGOGPKBSK-UHFFFAOYSA-N 1 2 362.426 2.482 20 30 FEEDLO C[N@@H+](CCOc1ccccc1F)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000081512382 325179508 /nfs/dbraw/zinc/17/95/08/325179508.db2.gz NGMJYFGOGPKBSK-UHFFFAOYSA-N 1 2 362.426 2.482 20 30 FEEDLO Cc1cn2c([nH+]1)CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1C#N)C2 ZINC000090168837 325355695 /nfs/dbraw/zinc/35/56/95/325355695.db2.gz SWTUVTUXMBSYRX-ZDUSSCGKSA-N 1 2 350.831 2.010 20 30 FEEDLO CCN(CC)c1ncc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)s1 ZINC000091936488 325398719 /nfs/dbraw/zinc/39/87/19/325398719.db2.gz BRSQQTOHIBARTF-AWEZNQCLSA-N 1 2 371.514 2.362 20 30 FEEDLO CCN(CC)c1ncc(C[N@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)s1 ZINC000091936488 325398720 /nfs/dbraw/zinc/39/87/20/325398720.db2.gz BRSQQTOHIBARTF-AWEZNQCLSA-N 1 2 371.514 2.362 20 30 FEEDLO Cc1ccccc1N1CC[NH+]([C@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 ZINC000102936510 325502187 /nfs/dbraw/zinc/50/21/87/325502187.db2.gz ULYIWFLVXQFDPI-FQEVSTJZSA-N 1 2 374.444 2.321 20 30 FEEDLO COCCOC1CC[NH+](CC(=O)Nc2cc(Cl)ccc2C#N)CC1 ZINC000116884800 326039766 /nfs/dbraw/zinc/03/97/66/326039766.db2.gz JKEVSZCCNFAAFW-UHFFFAOYSA-N 1 2 351.834 2.278 20 30 FEEDLO C[C@H](c1cccnc1)[NH+]1CCN(C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000118836559 326106774 /nfs/dbraw/zinc/10/67/74/326106774.db2.gz YIYQRFVZDSLQCY-YLJYHZDGSA-N 1 2 366.465 2.072 20 30 FEEDLO N#Cc1csc(C[NH+]2CCN(Cc3cc(=O)n4ccsc4n3)CC2)c1 ZINC000121828217 326370655 /nfs/dbraw/zinc/37/06/55/326370655.db2.gz QAGZDNTUBPMWLS-UHFFFAOYSA-N 1 2 371.491 2.007 20 30 FEEDLO C[C@H]1CCC[C@H](NC(=O)CN2CC[NH+](Cc3ccc(C#N)s3)CC2)C1 ZINC000131285771 326571855 /nfs/dbraw/zinc/57/18/55/326571855.db2.gz RMLXGGAMMBQSJD-HOTGVXAUSA-N 1 2 360.527 2.432 20 30 FEEDLO N#Cc1ccc(N2CCC[C@H](NC(=O)[C@@H]3CCn4cc[nH+]c4C3)C2)c(F)c1 ZINC000161542113 327002339 /nfs/dbraw/zinc/00/23/39/327002339.db2.gz OCHJTNKFKQFSFB-CVEARBPZSA-N 1 2 367.428 2.241 20 30 FEEDLO COc1ccc(C(=O)N2CC[NH+](C[C@H](O)c3ccc(C#N)cc3)CC2)cc1 ZINC000177993328 327557467 /nfs/dbraw/zinc/55/74/67/327557467.db2.gz NBFPPJAHAFCYPZ-FQEVSTJZSA-N 1 2 365.433 2.058 20 30 FEEDLO Cc1sc(NC(=O)CN2CC[NH+](Cc3ccccn3)CC2)c(C#N)c1C ZINC000267058792 329287419 /nfs/dbraw/zinc/28/74/19/329287419.db2.gz LUBWZJYBQCOHPX-UHFFFAOYSA-N 1 2 369.494 2.388 20 30 FEEDLO N#Cc1cc(NC(=O)C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)ccc1Cl ZINC000267439720 329327681 /nfs/dbraw/zinc/32/76/81/329327681.db2.gz VXLCMXYIWUTSLZ-LLVKDONJSA-N 1 2 357.801 2.279 20 30 FEEDLO CN(Cc1[nH+]ccn1CC(F)(F)F)S(=O)(=O)c1ccccc1C#N ZINC000269682330 329539784 /nfs/dbraw/zinc/53/97/84/329539784.db2.gz SWWSHODHKVUQRP-UHFFFAOYSA-N 1 2 358.345 2.138 20 30 FEEDLO CC(C)(CCCO)CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000271852011 329730732 /nfs/dbraw/zinc/73/07/32/329730732.db2.gz WDMURMCEZLASQV-UHFFFAOYSA-N 1 2 358.486 2.184 20 30 FEEDLO CCN1CCC([N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C2CC2)CC1 ZINC000367175905 330226173 /nfs/dbraw/zinc/22/61/73/330226173.db2.gz CUOSVHNBVQGUSB-UHFFFAOYSA-N 1 2 361.511 2.281 20 30 FEEDLO CCN1CCC([N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C2CC2)CC1 ZINC000367175905 330226174 /nfs/dbraw/zinc/22/61/74/330226174.db2.gz CUOSVHNBVQGUSB-UHFFFAOYSA-N 1 2 361.511 2.281 20 30 FEEDLO COC(=O)[C@@]1(C(F)(F)F)CC[N@@H+]([C@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000375768036 330248527 /nfs/dbraw/zinc/24/85/27/330248527.db2.gz LEKUXXQBCPXADX-BDJLRTHQSA-N 1 2 369.343 2.313 20 30 FEEDLO COC(=O)[C@@]1(C(F)(F)F)CC[N@H+]([C@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000375768036 330248528 /nfs/dbraw/zinc/24/85/28/330248528.db2.gz LEKUXXQBCPXADX-BDJLRTHQSA-N 1 2 369.343 2.313 20 30 FEEDLO N#Cc1c[nH]c(C(=O)N2CC[C@@H](Oc3ccc[nH+]c3N3CCCC3)C2)c1 ZINC000275584254 526535074 /nfs/dbraw/zinc/53/50/74/526535074.db2.gz JSYLUJLTYUGDHV-OAHLLOKOSA-N 1 2 351.410 2.175 20 30 FEEDLO CC[N@H+](Cc1ccc(C(=O)N(C)C)cc1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000156531247 545633180 /nfs/dbraw/zinc/63/31/80/545633180.db2.gz HYUJPXJNNSRCER-LJQANCHMSA-N 1 2 364.449 2.309 20 30 FEEDLO CC[N@@H+](Cc1ccc(C(=O)N(C)C)cc1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000156531247 545633183 /nfs/dbraw/zinc/63/31/83/545633183.db2.gz HYUJPXJNNSRCER-LJQANCHMSA-N 1 2 364.449 2.309 20 30 FEEDLO CC[C@H]1C(=O)NCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000156527183 545633383 /nfs/dbraw/zinc/63/33/83/545633383.db2.gz UEBKAXZPMISQMN-AWEZNQCLSA-N 1 2 360.483 2.038 20 30 FEEDLO CC[C@H]1C(=O)NCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000156527183 545633387 /nfs/dbraw/zinc/63/33/87/545633387.db2.gz UEBKAXZPMISQMN-AWEZNQCLSA-N 1 2 360.483 2.038 20 30 FEEDLO N#Cc1cc(N2CC[NH+](Cc3cn4ccccc4n3)CC2)ccc1[N+](=O)[O-] ZINC000157596572 545760235 /nfs/dbraw/zinc/76/02/35/545760235.db2.gz BHYDFUUCRNMXLE-UHFFFAOYSA-N 1 2 362.393 2.436 20 30 FEEDLO CCOCCO[C@H]1CC[N@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000157805583 545786635 /nfs/dbraw/zinc/78/66/35/545786635.db2.gz ACLAREPVSCEUMP-HNNXBMFYSA-N 1 2 351.834 2.278 20 30 FEEDLO CCOCCO[C@H]1CC[N@@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000157805583 545786640 /nfs/dbraw/zinc/78/66/40/545786640.db2.gz ACLAREPVSCEUMP-HNNXBMFYSA-N 1 2 351.834 2.278 20 30 FEEDLO CCOc1ccc(OC[C@@H](O)C[NH+]2CC(Oc3ccc(C#N)cc3)C2)cc1 ZINC000158573095 545872958 /nfs/dbraw/zinc/87/29/58/545872958.db2.gz GLMMSGYKAKFDFR-KRWDZBQOSA-N 1 2 368.433 2.460 20 30 FEEDLO C=CCN1C(=O)N[C@@H](c2ccc(N3CCCC3)[nH+]c2)C(C(=O)OC)=C1C ZINC000158764884 545892923 /nfs/dbraw/zinc/89/29/23/545892923.db2.gz OIFVUFWZMJWJPX-KRWDZBQOSA-N 1 2 356.426 2.381 20 30 FEEDLO Cc1sc(NC(=O)CN2CC[NH+](Cc3ccncc3)CC2)c(C#N)c1C ZINC000161162650 546105831 /nfs/dbraw/zinc/10/58/31/546105831.db2.gz IZQNXTHISQQMCO-UHFFFAOYSA-N 1 2 369.494 2.388 20 30 FEEDLO Cc1cc(N(CCC#N)C(=O)C[N@@H+](CC(N)=O)CC(C)C)ccc1Cl ZINC000161372406 546124953 /nfs/dbraw/zinc/12/49/53/546124953.db2.gz ATWZYNHPAYUFPF-UHFFFAOYSA-N 1 2 364.877 2.338 20 30 FEEDLO Cc1cc(N(CCC#N)C(=O)C[N@H+](CC(N)=O)CC(C)C)ccc1Cl ZINC000161372406 546124956 /nfs/dbraw/zinc/12/49/56/546124956.db2.gz ATWZYNHPAYUFPF-UHFFFAOYSA-N 1 2 364.877 2.338 20 30 FEEDLO CC[C@@H](C#N)Oc1cc(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)ccc1OC ZINC000161636592 546132615 /nfs/dbraw/zinc/13/26/15/546132615.db2.gz IHZLINFNCBHRRA-CVEARBPZSA-N 1 2 368.437 2.451 20 30 FEEDLO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCO[C@@H](c3cccc(O)c3)C2)cc1 ZINC000164236114 546149827 /nfs/dbraw/zinc/14/98/27/546149827.db2.gz YLSNDQNZJWOPRM-PZJWPPBQSA-N 1 2 368.433 2.271 20 30 FEEDLO N#CCc1ccc(OC[C@@H](O)C[N@H+]2CCO[C@@H](c3cccc(O)c3)C2)cc1 ZINC000164236114 546149832 /nfs/dbraw/zinc/14/98/32/546149832.db2.gz YLSNDQNZJWOPRM-PZJWPPBQSA-N 1 2 368.433 2.271 20 30 FEEDLO N#CC1(CS(=O)(=O)N[C@@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)CC1 ZINC000165238582 546151955 /nfs/dbraw/zinc/15/19/55/546151955.db2.gz KPJCZJZYLHBGDG-CYBMUJFWSA-N 1 2 369.437 2.152 20 30 FEEDLO N#CC1(CS(=O)(=O)N[C@@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)CC1 ZINC000165238582 546151960 /nfs/dbraw/zinc/15/19/60/546151960.db2.gz KPJCZJZYLHBGDG-CYBMUJFWSA-N 1 2 369.437 2.152 20 30 FEEDLO C[NH+](C)CCCNC(=O)C[C@H]1S/C(=N/c2ccccc2Cl)NC1=O ZINC000174892466 546304658 /nfs/dbraw/zinc/30/46/58/546304658.db2.gz BQAQCPYVKVRAAI-CYBMUJFWSA-N 1 2 368.890 2.017 20 30 FEEDLO Cc1[nH+]c2ccccc2n1CCNC(=O)C(=O)Nc1ccc(F)cc1C#N ZINC000175950514 546377911 /nfs/dbraw/zinc/37/79/11/546377911.db2.gz POEBBTLHADDICP-UHFFFAOYSA-N 1 2 365.368 2.110 20 30 FEEDLO Cc1cc(NC(=O)COc2ccccc2C#N)n(-c2cc(C)[nH+]c(C)n2)n1 ZINC000176807131 546490646 /nfs/dbraw/zinc/49/06/46/546490646.db2.gz DBPUCIHMGQAYDU-UHFFFAOYSA-N 1 2 362.393 2.477 20 30 FEEDLO CC(C)N1CCC[C@H](O[NH+]=C(N)c2ccc(N3CCCCC3)nc2)C1=O ZINC000176861411 546497820 /nfs/dbraw/zinc/49/78/20/546497820.db2.gz IGOUICFSVRMYIY-INIZCTEOSA-N 1 2 359.474 2.108 20 30 FEEDLO Cn1cc(C#N)cc1C(=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000177643646 546658008 /nfs/dbraw/zinc/65/80/08/546658008.db2.gz BEERJOXPWMEOFF-UHFFFAOYSA-N 1 2 372.856 2.387 20 30 FEEDLO C=CC[N@@H+](CCC(=O)Nc1ccc(OCC)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000177988234 546719165 /nfs/dbraw/zinc/71/91/65/546719165.db2.gz PJZYSYMFCPSKCZ-MRXNPFEDSA-N 1 2 366.483 2.089 20 30 FEEDLO C=CC[N@H+](CCC(=O)Nc1ccc(OCC)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000177988234 546719169 /nfs/dbraw/zinc/71/91/69/546719169.db2.gz PJZYSYMFCPSKCZ-MRXNPFEDSA-N 1 2 366.483 2.089 20 30 FEEDLO CC(C)(C#N)c1ccc(NC(=O)C(=O)NCc2ccn3cc[nH+]c3c2)cc1 ZINC000178027631 546725423 /nfs/dbraw/zinc/72/54/23/546725423.db2.gz NMEXQWLZGRJIRN-UHFFFAOYSA-N 1 2 361.405 2.390 20 30 FEEDLO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000179435764 546953967 /nfs/dbraw/zinc/95/39/67/546953967.db2.gz UFGPOTJTNYNUEY-UHFFFAOYSA-N 1 2 368.393 2.376 20 30 FEEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000179515994 546969969 /nfs/dbraw/zinc/96/99/69/546969969.db2.gz XPEMRFHODKJUDQ-ZDUSSCGKSA-N 1 2 356.455 2.433 20 30 FEEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000179515994 546969974 /nfs/dbraw/zinc/96/99/74/546969974.db2.gz XPEMRFHODKJUDQ-ZDUSSCGKSA-N 1 2 356.455 2.433 20 30 FEEDLO COc1cc(C#N)ccc1C[N@@H+]1CCc2c(cccc2NS(C)(=O)=O)C1 ZINC000179657023 546992755 /nfs/dbraw/zinc/99/27/55/546992755.db2.gz CLIYBYIZWCJPHZ-UHFFFAOYSA-N 1 2 371.462 2.497 20 30 FEEDLO COc1cc(C#N)ccc1C[N@H+]1CCc2c(cccc2NS(C)(=O)=O)C1 ZINC000179657023 546992759 /nfs/dbraw/zinc/99/27/59/546992759.db2.gz CLIYBYIZWCJPHZ-UHFFFAOYSA-N 1 2 371.462 2.497 20 30 FEEDLO CCO[C@@H](C)c1noc(CN2CC[NH+](Cc3ccc(C#N)s3)CC2)n1 ZINC000180007493 547038502 /nfs/dbraw/zinc/03/85/02/547038502.db2.gz CAUWTBILPHJTND-ZDUSSCGKSA-N 1 2 361.471 2.418 20 30 FEEDLO C=CCN(CC=C)C(=O)C[NH+]1CCN(C(=O)Nc2ccc(C)cc2)CC1 ZINC000180470531 547112802 /nfs/dbraw/zinc/11/28/02/547112802.db2.gz WNEOWDPQYHUJLX-UHFFFAOYSA-N 1 2 356.470 2.345 20 30 FEEDLO Cn1cc(N2CC[NH+](Cc3ccc(C#N)cc3Br)CC2)cn1 ZINC000181129485 547255670 /nfs/dbraw/zinc/25/56/70/547255670.db2.gz CVNSSWBRVCWNFV-UHFFFAOYSA-N 1 2 360.259 2.376 20 30 FEEDLO COC(=O)c1ccc(Cl)c(CN(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000181964186 547414833 /nfs/dbraw/zinc/41/48/33/547414833.db2.gz RCCIKYPEXQUSPH-UHFFFAOYSA-N 1 2 365.861 2.174 20 30 FEEDLO C[C@H](C#N)CNC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000182744397 547545416 /nfs/dbraw/zinc/54/54/16/547545416.db2.gz YCFUYXPAFCWCAK-KCXAZCMYSA-N 1 2 350.850 2.171 20 30 FEEDLO C[C@H](C#N)CNC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000182744397 547545418 /nfs/dbraw/zinc/54/54/18/547545418.db2.gz YCFUYXPAFCWCAK-KCXAZCMYSA-N 1 2 350.850 2.171 20 30 FEEDLO C=CCCO[C@H](C)C(=O)N1CC[NH+](CCOc2cccc(OC)c2)CC1 ZINC000484310956 561296121 /nfs/dbraw/zinc/29/61/21/561296121.db2.gz JCJIVSSBTBNFSL-QGZVFWFLSA-N 1 2 362.470 2.199 20 30 FEEDLO COC(=O)[C@@H]1CC[N@H+](Cc2ccccc2C(C)(C)C#N)[C@@H](C(=O)OC)C1 ZINC000183124068 547606362 /nfs/dbraw/zinc/60/63/62/547606362.db2.gz VBLUCXCJBHIPEP-RHSMWYFYSA-N 1 2 358.438 2.414 20 30 FEEDLO COC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2C(C)(C)C#N)[C@@H](C(=O)OC)C1 ZINC000183124068 547606367 /nfs/dbraw/zinc/60/63/67/547606367.db2.gz VBLUCXCJBHIPEP-RHSMWYFYSA-N 1 2 358.438 2.414 20 30 FEEDLO C=CCN(CCOC)C(=O)C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000484618506 561301221 /nfs/dbraw/zinc/30/12/21/561301221.db2.gz NZOJODVYFKZROD-UHFFFAOYSA-N 1 2 355.394 2.473 20 30 FEEDLO C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000184345130 547811711 /nfs/dbraw/zinc/81/17/11/547811711.db2.gz LKFBNXNCJZUSAJ-HOTGVXAUSA-N 1 2 358.442 2.306 20 30 FEEDLO CSCC[C@@H]([NH2+]CC(=O)N[C@@](C)(C#N)C(C)C)c1nnc2ccccn21 ZINC000184599155 547852583 /nfs/dbraw/zinc/85/25/83/547852583.db2.gz QUBSRAFRVGTKNR-KDOFPFPSSA-N 1 2 374.514 2.168 20 30 FEEDLO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000184669735 547862937 /nfs/dbraw/zinc/86/29/37/547862937.db2.gz MRPQXIKMDOXZLW-UHFFFAOYSA-N 1 2 368.393 2.376 20 30 FEEDLO COc1cccc(-c2noc([C@@H](C)[NH2+]CC(=O)N[C@@](C)(C#N)C(C)C)n2)c1 ZINC000185115744 547936214 /nfs/dbraw/zinc/93/62/14/547936214.db2.gz PGEKOEUZLIFXCZ-YJYMSZOUSA-N 1 2 371.441 2.450 20 30 FEEDLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](C#N)c1ccc(F)cc1 ZINC000485772317 561327647 /nfs/dbraw/zinc/32/76/47/561327647.db2.gz DGVKJBPBLZAKGQ-IAGOWNOFSA-N 1 2 371.416 2.003 20 30 FEEDLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](C#N)c1ccc(F)cc1 ZINC000485772317 561327648 /nfs/dbraw/zinc/32/76/48/561327648.db2.gz DGVKJBPBLZAKGQ-IAGOWNOFSA-N 1 2 371.416 2.003 20 30 FEEDLO C=CCN(CC(F)(F)F)C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C ZINC000486022288 561335578 /nfs/dbraw/zinc/33/55/78/561335578.db2.gz BNSFRLZHKQOOPQ-ZDUSSCGKSA-N 1 2 360.380 2.060 20 30 FEEDLO C=CCN(CC(F)(F)F)C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C ZINC000486022288 561335579 /nfs/dbraw/zinc/33/55/79/561335579.db2.gz BNSFRLZHKQOOPQ-ZDUSSCGKSA-N 1 2 360.380 2.060 20 30 FEEDLO C=CC[C@@H](C(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1)c1ccccc1 ZINC000187645120 548261102 /nfs/dbraw/zinc/26/11/02/548261102.db2.gz HDYDQPHDDOQZJI-QFBILLFUSA-N 1 2 355.482 2.158 20 30 FEEDLO COC[C@H]1C[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C[C@@H](C)O1 ZINC000189419158 548302052 /nfs/dbraw/zinc/30/20/52/548302052.db2.gz WJDMENANZROOQN-RVKKMQEKSA-N 1 2 363.433 2.197 20 30 FEEDLO COC[C@H]1C[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C[C@@H](C)O1 ZINC000189419158 548302061 /nfs/dbraw/zinc/30/20/61/548302061.db2.gz WJDMENANZROOQN-RVKKMQEKSA-N 1 2 363.433 2.197 20 30 FEEDLO CN(C(=O)C[NH+]1CCN(c2cc(C3CC3)[nH]n2)CC1)C1(C#N)CCCCC1 ZINC000189721573 548309844 /nfs/dbraw/zinc/30/98/44/548309844.db2.gz WREBMVICWIBQMC-UHFFFAOYSA-N 1 2 370.501 2.094 20 30 FEEDLO CCN1CCC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)CC1=O ZINC000190175917 548318947 /nfs/dbraw/zinc/31/89/47/548318947.db2.gz WBSCFBPJBMWWNF-OAHLLOKOSA-N 1 2 360.433 2.015 20 30 FEEDLO CCN1CCC[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)CC1=O ZINC000190175917 548318954 /nfs/dbraw/zinc/31/89/54/548318954.db2.gz WBSCFBPJBMWWNF-OAHLLOKOSA-N 1 2 360.433 2.015 20 30 FEEDLO CCN1CCC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)CC1=O ZINC000190206114 548319677 /nfs/dbraw/zinc/31/96/77/548319677.db2.gz BJIUQTZFKCZQKT-QGZVFWFLSA-N 1 2 356.470 2.184 20 30 FEEDLO CCN1CCC[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)CC1=O ZINC000190206114 548319683 /nfs/dbraw/zinc/31/96/83/548319683.db2.gz BJIUQTZFKCZQKT-QGZVFWFLSA-N 1 2 356.470 2.184 20 30 FEEDLO C=CCN(CCOC)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(OC)cc1 ZINC000190652428 548331149 /nfs/dbraw/zinc/33/11/49/548331149.db2.gz NBKQPGVTORWQOU-QGZVFWFLSA-N 1 2 358.442 2.362 20 30 FEEDLO C=CCN(CCOC)C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000190917670 548336141 /nfs/dbraw/zinc/33/61/41/548336141.db2.gz RXOVPHQEKYJWPS-IYBDPMFKSA-N 1 2 362.474 2.039 20 30 FEEDLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@]1(C#N)CCC[C@@H](C)C1 ZINC000486397716 561346170 /nfs/dbraw/zinc/34/61/70/561346170.db2.gz SHTWKGHCDXNEKR-OGWOLHLISA-N 1 2 359.474 2.072 20 30 FEEDLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@]1(C#N)CCC[C@@H](C)C1 ZINC000486397716 561346171 /nfs/dbraw/zinc/34/61/71/561346171.db2.gz SHTWKGHCDXNEKR-OGWOLHLISA-N 1 2 359.474 2.072 20 30 FEEDLO N#CCCN(CCC#N)C(=O)C[NH2+][C@H](c1nccs1)c1ccccc1 ZINC000195075511 548573402 /nfs/dbraw/zinc/57/34/02/548573402.db2.gz LAXDHYCYPLTMNH-KRWDZBQOSA-N 1 2 353.451 2.478 20 30 FEEDLO C[N@@H+]1CCN(S(=O)(=O)c2ccc(F)cc2C#N)[C@@H](c2ccccc2)C1 ZINC000246546760 549158377 /nfs/dbraw/zinc/15/83/77/549158377.db2.gz VUXKJZFHZDNYAO-QGZVFWFLSA-N 1 2 359.426 2.375 20 30 FEEDLO C[N@H+]1CCN(S(=O)(=O)c2ccc(F)cc2C#N)[C@@H](c2ccccc2)C1 ZINC000246546760 549158379 /nfs/dbraw/zinc/15/83/79/549158379.db2.gz VUXKJZFHZDNYAO-QGZVFWFLSA-N 1 2 359.426 2.375 20 30 FEEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 ZINC000248783075 549501675 /nfs/dbraw/zinc/50/16/75/549501675.db2.gz WYBXSIRRLYQXSU-HOCLYGCPSA-N 1 2 362.470 2.366 20 30 FEEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 ZINC000248783075 549501678 /nfs/dbraw/zinc/50/16/78/549501678.db2.gz WYBXSIRRLYQXSU-HOCLYGCPSA-N 1 2 362.470 2.366 20 30 FEEDLO C[C@@H]1CC[N@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)[C@@H](C(N)=O)C1 ZINC000249581641 549607617 /nfs/dbraw/zinc/60/76/17/549607617.db2.gz RHQDMAFMNZPANL-CZUORRHYSA-N 1 2 362.861 2.172 20 30 FEEDLO C[C@@H]1CC[N@@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)[C@@H](C(N)=O)C1 ZINC000249581641 549607620 /nfs/dbraw/zinc/60/76/20/549607620.db2.gz RHQDMAFMNZPANL-CZUORRHYSA-N 1 2 362.861 2.172 20 30 FEEDLO Cc1ccn2cc(CNC(=O)C(=O)Nc3ccc(C#N)cc3Cl)[nH+]c2c1 ZINC000490377466 561431964 /nfs/dbraw/zinc/43/19/64/561431964.db2.gz RWZHNLMPGRFBMD-UHFFFAOYSA-N 1 2 367.796 2.423 20 30 FEEDLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1sc2ccc(C#N)cc2c1C ZINC000490720595 561437712 /nfs/dbraw/zinc/43/77/12/561437712.db2.gz LUBBNAJVIZUQKK-AWEZNQCLSA-N 1 2 368.418 2.319 20 30 FEEDLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1sc2ccc(C#N)cc2c1C ZINC000490720595 561437713 /nfs/dbraw/zinc/43/77/13/561437713.db2.gz LUBBNAJVIZUQKK-AWEZNQCLSA-N 1 2 368.418 2.319 20 30 FEEDLO N#Cc1cnc2ccccc2c1N1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000263842338 549944697 /nfs/dbraw/zinc/94/46/97/549944697.db2.gz XCLKIGFZNXMPKS-UHFFFAOYSA-N 1 2 360.421 2.042 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000264122270 549981812 /nfs/dbraw/zinc/98/18/12/549981812.db2.gz MIWIXAWXLVNFST-FQEVSTJZSA-N 1 2 354.454 2.456 20 30 FEEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C)[C@@H]1CCN(C)C1=O ZINC000265642895 550012738 /nfs/dbraw/zinc/01/27/38/550012738.db2.gz KKVKJOZVZGDBEM-UKRRQHHQSA-N 1 2 360.483 2.182 20 30 FEEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC000265642895 550012739 /nfs/dbraw/zinc/01/27/39/550012739.db2.gz KKVKJOZVZGDBEM-UKRRQHHQSA-N 1 2 360.483 2.182 20 30 FEEDLO C#CCC[NH+]1CCN(C(=O)c2nc(C(C)C)n(-c3ccccc3F)n2)CC1 ZINC000266183156 550017827 /nfs/dbraw/zinc/01/78/27/550017827.db2.gz ZAZJRHLCOGNTBS-UHFFFAOYSA-N 1 2 369.444 2.311 20 30 FEEDLO COc1ccccc1-c1noc([C@H](C)[NH2+][C@H](C)C(=O)N(C)CCC#N)n1 ZINC000266576066 550021431 /nfs/dbraw/zinc/02/14/31/550021431.db2.gz LHIVLZKJBVTFED-QWHCGFSZSA-N 1 2 357.414 2.156 20 30 FEEDLO CCC(CC)C[N@H+](CCC#N)CC(=O)N[C@H](C(=O)NC)c1ccccc1 ZINC000266763497 550024081 /nfs/dbraw/zinc/02/40/81/550024081.db2.gz UNDKQYMZWMRFTL-IBGZPJMESA-N 1 2 358.486 2.242 20 30 FEEDLO CCC(CC)C[N@@H+](CCC#N)CC(=O)N[C@H](C(=O)NC)c1ccccc1 ZINC000266763497 550024083 /nfs/dbraw/zinc/02/40/83/550024083.db2.gz UNDKQYMZWMRFTL-IBGZPJMESA-N 1 2 358.486 2.242 20 30 FEEDLO C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000491582082 561446733 /nfs/dbraw/zinc/44/67/33/561446733.db2.gz TZFMUELSKDPQGH-WBMJQRKESA-N 1 2 371.828 2.456 20 30 FEEDLO COc1cc(NC(=O)C[N@H+](C)C[C@H](O)c2ccc(C#N)cc2)cc(OC)c1 ZINC000268680867 550103074 /nfs/dbraw/zinc/10/30/74/550103074.db2.gz OEJQRGJZWHGZOR-IBGZPJMESA-N 1 2 369.421 2.179 20 30 FEEDLO COc1cc(NC(=O)C[N@@H+](C)C[C@H](O)c2ccc(C#N)cc2)cc(OC)c1 ZINC000268680867 550103076 /nfs/dbraw/zinc/10/30/76/550103076.db2.gz OEJQRGJZWHGZOR-IBGZPJMESA-N 1 2 369.421 2.179 20 30 FEEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000268986936 550141565 /nfs/dbraw/zinc/14/15/65/550141565.db2.gz UBNYQFQPQOOZSO-HUUCEWRRSA-N 1 2 351.859 2.356 20 30 FEEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000268986936 550141566 /nfs/dbraw/zinc/14/15/66/550141566.db2.gz UBNYQFQPQOOZSO-HUUCEWRRSA-N 1 2 351.859 2.356 20 30 FEEDLO C=CCNC(=O)c1ccc(NC[C@H](c2ccccc2)[NH+]2CCOCC2)nc1 ZINC000492973027 561453916 /nfs/dbraw/zinc/45/39/16/561453916.db2.gz PIKMUTNRCUGMGA-LJQANCHMSA-N 1 2 366.465 2.483 20 30 FEEDLO N#Cc1cc(Cl)ccc1S(=O)(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000269671477 550215763 /nfs/dbraw/zinc/21/57/63/550215763.db2.gz PGUGQBYXZHUOLI-UHFFFAOYSA-N 1 2 350.831 2.434 20 30 FEEDLO C=CC[N@@H+](CC(=O)Nc1cc(-n2nnnc2C2CC2)ccc1F)C1CC1 ZINC000271353787 550367924 /nfs/dbraw/zinc/36/79/24/550367924.db2.gz DNDMCJNFNOKRHA-UHFFFAOYSA-N 1 2 356.405 2.268 20 30 FEEDLO C=CC[N@H+](CC(=O)Nc1cc(-n2nnnc2C2CC2)ccc1F)C1CC1 ZINC000271353787 550367925 /nfs/dbraw/zinc/36/79/25/550367925.db2.gz DNDMCJNFNOKRHA-UHFFFAOYSA-N 1 2 356.405 2.268 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)CC2)cc1 ZINC000272444465 550448782 /nfs/dbraw/zinc/44/87/82/550448782.db2.gz CRLVWVOWEKJFQT-UHFFFAOYSA-N 1 2 366.377 2.130 20 30 FEEDLO C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000272557919 550457802 /nfs/dbraw/zinc/45/78/02/550457802.db2.gz OCCCCTNODHEYTP-ZDUSSCGKSA-N 1 2 367.409 2.045 20 30 FEEDLO CCOC(=O)C1=C(C[NH+]2CCC(C)(C#N)CC2)NC(=O)N[C@H]1c1ccco1 ZINC000272615226 550460914 /nfs/dbraw/zinc/46/09/14/550460914.db2.gz SYLBUUCXPGVJLL-INIZCTEOSA-N 1 2 372.425 2.076 20 30 FEEDLO C=CCCS(=O)(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000273392493 550496725 /nfs/dbraw/zinc/49/67/25/550496725.db2.gz DTJFGQDSBUQHPQ-UHFFFAOYSA-N 1 2 372.288 2.443 20 30 FEEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)C1=O ZINC000277881404 550724947 /nfs/dbraw/zinc/72/49/47/550724947.db2.gz VJUGRGVSVKMQQK-FRRDWIJNSA-N 1 2 373.400 2.360 20 30 FEEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)C1=O ZINC000277881404 550724948 /nfs/dbraw/zinc/72/49/48/550724948.db2.gz VJUGRGVSVKMQQK-FRRDWIJNSA-N 1 2 373.400 2.360 20 30 FEEDLO CCOC1CC(CNc2cc(C(C)=O)ccc2C#N)([NH+]2CCOCC2)C1 ZINC000277987335 550736287 /nfs/dbraw/zinc/73/62/87/550736287.db2.gz MMQXMKUVTVCQSI-UHFFFAOYSA-N 1 2 357.454 2.443 20 30 FEEDLO CCn1nccc1C1CC[NH+](CCS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000278806929 550824061 /nfs/dbraw/zinc/82/40/61/550824061.db2.gz GJKZJCQBUMBQRR-UHFFFAOYSA-N 1 2 372.494 2.428 20 30 FEEDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)CCCCOc1cccc(C#N)c1 ZINC000279045647 550850368 /nfs/dbraw/zinc/85/03/68/550850368.db2.gz BYWOQQMRBSLTQF-KRWDZBQOSA-N 1 2 359.470 2.286 20 30 FEEDLO C#CCn1ccc(C[N@@H+](CC)Cc2c(C)nn(CC(=O)OC(C)C)c2C)n1 ZINC000279322639 550877403 /nfs/dbraw/zinc/87/74/03/550877403.db2.gz BWLZBYFUIZZEQP-UHFFFAOYSA-N 1 2 371.485 2.303 20 30 FEEDLO C#CCn1ccc(C[N@H+](CC)Cc2c(C)nn(CC(=O)OC(C)C)c2C)n1 ZINC000279322639 550877405 /nfs/dbraw/zinc/87/74/05/550877405.db2.gz BWLZBYFUIZZEQP-UHFFFAOYSA-N 1 2 371.485 2.303 20 30 FEEDLO C#CCn1ccc(CN(CC)C(=O)NCc2cn3ccc(C)cc3[nH+]2)n1 ZINC000279390988 550884786 /nfs/dbraw/zinc/88/47/86/550884786.db2.gz GLVRSIGEUVVUPA-UHFFFAOYSA-N 1 2 350.426 2.204 20 30 FEEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2C[C@@H](O)C(C)(C)C2)c1C#N ZINC000279816713 550932148 /nfs/dbraw/zinc/93/21/48/550932148.db2.gz QFXFUUKSSRRMOX-QGZVFWFLSA-N 1 2 370.453 2.259 20 30 FEEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2C[C@@H](O)C(C)(C)C2)c1C#N ZINC000279816713 550932149 /nfs/dbraw/zinc/93/21/49/550932149.db2.gz QFXFUUKSSRRMOX-QGZVFWFLSA-N 1 2 370.453 2.259 20 30 FEEDLO Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1CNC(=O)/C=C/c1ccc(C#N)cc1 ZINC000280161095 550966578 /nfs/dbraw/zinc/96/65/78/550966578.db2.gz BZOKQGOAHJXRDM-VDZMMWBESA-N 1 2 367.428 2.034 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCO[C@]3(CCO[C@@H]3C)C2)c1 ZINC000280532291 551004777 /nfs/dbraw/zinc/00/47/77/551004777.db2.gz SLZBSQPLFITYJZ-WIYYLYMNSA-N 1 2 371.481 2.430 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCO[C@]3(CCO[C@@H]3C)C2)c1 ZINC000280532291 551004778 /nfs/dbraw/zinc/00/47/78/551004778.db2.gz SLZBSQPLFITYJZ-WIYYLYMNSA-N 1 2 371.481 2.430 20 30 FEEDLO C=CCN1CC[C@H]([N@H+](CC(=O)NC)Cc2cccc(C(F)(F)F)c2)C1=O ZINC000282124088 551183958 /nfs/dbraw/zinc/18/39/58/551183958.db2.gz YABBMWTZYFKSPL-HNNXBMFYSA-N 1 2 369.387 2.040 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+](CC(=O)NC)Cc2cccc(C(F)(F)F)c2)C1=O ZINC000282124088 551183959 /nfs/dbraw/zinc/18/39/59/551183959.db2.gz YABBMWTZYFKSPL-HNNXBMFYSA-N 1 2 369.387 2.040 20 30 FEEDLO C[C@H](NC(=O)C[NH+]1CCN(c2ccc(C#N)cn2)CC1)c1ccc(F)cc1 ZINC000497486726 561501899 /nfs/dbraw/zinc/50/18/99/561501899.db2.gz SURCBUTVUQBVAU-HNNXBMFYSA-N 1 2 367.428 2.092 20 30 FEEDLO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000282448024 551230518 /nfs/dbraw/zinc/23/05/18/551230518.db2.gz LNRBXVUCMVBNFI-UHFFFAOYSA-N 1 2 373.434 2.415 20 30 FEEDLO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000282448024 551230519 /nfs/dbraw/zinc/23/05/19/551230519.db2.gz LNRBXVUCMVBNFI-UHFFFAOYSA-N 1 2 373.434 2.415 20 30 FEEDLO C#CC[NH+]1CCN(c2nnc(-c3ccccc3F)n2C[C@@H]2CCCO2)CC1 ZINC000283457648 551369543 /nfs/dbraw/zinc/36/95/43/551369543.db2.gz OPFFTGMISFTAMH-INIZCTEOSA-N 1 2 369.444 2.018 20 30 FEEDLO C#CC[NH+]1CCN(c2nnc(-c3ccccc3C)n2C[C@@H]2CCOC2)CC1 ZINC000283559691 551387727 /nfs/dbraw/zinc/38/77/27/551387727.db2.gz ZCXBASKLMNQRMC-SFHVURJKSA-N 1 2 365.481 2.045 20 30 FEEDLO C[C@H](O[NH+]=C(N)[C@H]1CCCO1)C(=O)N(C)Cc1c(F)cccc1Cl ZINC000284086263 551481224 /nfs/dbraw/zinc/48/12/24/551481224.db2.gz KSGFFTVTUSIPLY-IINYFYTJSA-N 1 2 357.813 2.294 20 30 FEEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC)CC1 ZINC000284245988 551506838 /nfs/dbraw/zinc/50/68/38/551506838.db2.gz CKPSBDXMYAVQDS-HNNXBMFYSA-N 1 2 357.433 2.332 20 30 FEEDLO C=CCN(CC=C)C(=O)C(=O)NCc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC000284516317 551567165 /nfs/dbraw/zinc/56/71/65/551567165.db2.gz QXAYQAQWTAHLKZ-UHFFFAOYSA-N 1 2 356.470 2.135 20 30 FEEDLO C[C@@H]1CCSCC[N@@H+]1CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000285077071 551701047 /nfs/dbraw/zinc/70/10/47/551701047.db2.gz PLXSFUYJYRSASQ-OCCSQVGLSA-N 1 2 356.451 2.339 20 30 FEEDLO C[C@@H]1CCSCC[N@H+]1CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000285077071 551701048 /nfs/dbraw/zinc/70/10/48/551701048.db2.gz PLXSFUYJYRSASQ-OCCSQVGLSA-N 1 2 356.451 2.339 20 30 FEEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000285706695 551798436 /nfs/dbraw/zinc/79/84/36/551798436.db2.gz OQLBRVVBQABYEM-HOCLYGCPSA-N 1 2 359.474 2.442 20 30 FEEDLO C=CCn1c(=O)c2ccc(C(=O)N[C@@H]3CCCC[C@H]3C[NH3+])cc2[nH]c1=S ZINC000285720185 551800835 /nfs/dbraw/zinc/80/08/35/551800835.db2.gz NEYXEFSBUTXCCY-DZGCQCFKSA-N 1 2 372.494 2.119 20 30 FEEDLO C=CCOc1ccc(C(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)cc1OC ZINC000286001239 551836836 /nfs/dbraw/zinc/83/68/36/551836836.db2.gz YJXXSGUUDDXHMB-WBVHZDCISA-N 1 2 360.454 2.195 20 30 FEEDLO N#CCCN(C(=O)C[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](CO)C1)c1ccccc1 ZINC000286403398 551883811 /nfs/dbraw/zinc/88/38/11/551883811.db2.gz HOESWLRHERQJFQ-ZBFHGGJFSA-N 1 2 369.387 2.426 20 30 FEEDLO N#CCCN(C(=O)C[N@H+]1CC[C@H](C(F)(F)F)[C@@H](CO)C1)c1ccccc1 ZINC000286403398 551883813 /nfs/dbraw/zinc/88/38/13/551883813.db2.gz HOESWLRHERQJFQ-ZBFHGGJFSA-N 1 2 369.387 2.426 20 30 FEEDLO N#Cc1cc(N2CC[NH+](Cc3ccc(Cl)nc3)CC2)cc(N)c1[N+](=O)[O-] ZINC000287372081 551995862 /nfs/dbraw/zinc/99/58/62/551995862.db2.gz QOLMVCWVAOBNLZ-UHFFFAOYSA-N 1 2 372.816 2.419 20 30 FEEDLO N#Cc1ccnc(C(=O)N2CC[C@H](Oc3ccc[nH+]c3N3CCCC3)C2)c1 ZINC000287997700 552073130 /nfs/dbraw/zinc/07/31/30/552073130.db2.gz AWQHPPFULAKUGW-INIZCTEOSA-N 1 2 363.421 2.242 20 30 FEEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)N[C@H](c2ccc(C)cc2)C2CC2)C1=O ZINC000499996690 561563788 /nfs/dbraw/zinc/56/37/88/561563788.db2.gz BZGPJVCDEUUCEY-UYAOXDASSA-N 1 2 355.482 2.281 20 30 FEEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)N[C@H](c2ccc(C)cc2)C2CC2)C1=O ZINC000499996690 561563789 /nfs/dbraw/zinc/56/37/89/561563789.db2.gz BZGPJVCDEUUCEY-UYAOXDASSA-N 1 2 355.482 2.281 20 30 FEEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)C1=O ZINC000500021265 561564358 /nfs/dbraw/zinc/56/43/58/561564358.db2.gz VWVZVYBEYICIKO-OXQOHEQNSA-N 1 2 369.509 2.461 20 30 FEEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)C1=O ZINC000500021265 561564359 /nfs/dbraw/zinc/56/43/59/561564359.db2.gz VWVZVYBEYICIKO-OXQOHEQNSA-N 1 2 369.509 2.461 20 30 FEEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](c3nc(=O)[nH][nH]3)C2)c(Br)c1 ZINC000289349278 552305230 /nfs/dbraw/zinc/30/52/30/552305230.db2.gz FYKKMHPXILACRK-GFCCVEGCSA-N 1 2 362.231 2.112 20 30 FEEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](c3nc(=O)[nH][nH]3)C2)c(Br)c1 ZINC000289349278 552305231 /nfs/dbraw/zinc/30/52/31/552305231.db2.gz FYKKMHPXILACRK-GFCCVEGCSA-N 1 2 362.231 2.112 20 30 FEEDLO CCC(=O)N[C@H]1CCC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000500473556 561574194 /nfs/dbraw/zinc/57/41/94/561574194.db2.gz ZSIVHHXGALDNKQ-SJORKVTESA-N 1 2 356.470 2.312 20 30 FEEDLO CCC(=O)N[C@H]1CCC[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000500473556 561574195 /nfs/dbraw/zinc/57/41/95/561574195.db2.gz ZSIVHHXGALDNKQ-SJORKVTESA-N 1 2 356.470 2.312 20 30 FEEDLO CO[C@H](C)c1noc(C[N@@H+]2CCCN(c3ccc(C#N)c(C)n3)CC2)n1 ZINC000291845388 552667574 /nfs/dbraw/zinc/66/75/74/552667574.db2.gz HASNWEZWMBPANU-CQSZACIVSA-N 1 2 356.430 2.064 20 30 FEEDLO CO[C@H](C)c1noc(C[N@H+]2CCCN(c3ccc(C#N)c(C)n3)CC2)n1 ZINC000291845388 552667576 /nfs/dbraw/zinc/66/75/76/552667576.db2.gz HASNWEZWMBPANU-CQSZACIVSA-N 1 2 356.430 2.064 20 30 FEEDLO CC(C)[N@H+](CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1)[C@H]1CCOC1 ZINC000292008034 552683944 /nfs/dbraw/zinc/68/39/44/552683944.db2.gz XQNAAYBDOGDSNB-ZFWWWQNUSA-N 1 2 354.410 2.011 20 30 FEEDLO CC(C)[N@@H+](CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1)[C@H]1CCOC1 ZINC000292008034 552683946 /nfs/dbraw/zinc/68/39/46/552683946.db2.gz XQNAAYBDOGDSNB-ZFWWWQNUSA-N 1 2 354.410 2.011 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCCC[C@@H]1c1[nH+]ccn1CC ZINC000292299494 552713403 /nfs/dbraw/zinc/71/34/03/552713403.db2.gz KFWXVOAPFFQFFI-BBWFWOEESA-N 1 2 374.485 2.054 20 30 FEEDLO C[C@@H](NC(=O)N1CCC(C#N)([NH+](C)C)CC1)[C@@H]1OCCc2sccc21 ZINC000292307965 552714408 /nfs/dbraw/zinc/71/44/08/552714408.db2.gz WAGAPDQZVZMJAB-CJNGLKHVSA-N 1 2 362.499 2.380 20 30 FEEDLO COc1ccc(NC(=O)C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000292345799 552717957 /nfs/dbraw/zinc/71/79/57/552717957.db2.gz XEQUZGAWPSMPGN-QGZVFWFLSA-N 1 2 352.394 2.054 20 30 FEEDLO COc1ccc(NC(=O)C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000292345799 552717959 /nfs/dbraw/zinc/71/79/59/552717959.db2.gz XEQUZGAWPSMPGN-QGZVFWFLSA-N 1 2 352.394 2.054 20 30 FEEDLO COc1ccc(C[N@@H+]2CC[C@H](CS(C)(=O)=O)C2)cc1OCCCC#N ZINC000292762950 552756322 /nfs/dbraw/zinc/75/63/22/552756322.db2.gz JQKZQPHRUIAEIJ-INIZCTEOSA-N 1 2 366.483 2.244 20 30 FEEDLO COc1ccc(C[N@H+]2CC[C@H](CS(C)(=O)=O)C2)cc1OCCCC#N ZINC000292762950 552756323 /nfs/dbraw/zinc/75/63/23/552756323.db2.gz JQKZQPHRUIAEIJ-INIZCTEOSA-N 1 2 366.483 2.244 20 30 FEEDLO CC#CC[N@H+](C)CC(=O)N(C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000293011600 552780098 /nfs/dbraw/zinc/78/00/98/552780098.db2.gz DPJWDHVWAUXZGT-UHFFFAOYSA-N 1 2 355.360 2.057 20 30 FEEDLO CC#CC[N@@H+](C)CC(=O)N(C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000293011600 552780100 /nfs/dbraw/zinc/78/01/00/552780100.db2.gz DPJWDHVWAUXZGT-UHFFFAOYSA-N 1 2 355.360 2.057 20 30 FEEDLO Cc1ccc2nc(C(=O)N(CCC#N)CC[NH+]3CCOCC3)ccc2c1 ZINC000293438787 552823679 /nfs/dbraw/zinc/82/36/79/552823679.db2.gz OLKACDLXFPBPSH-UHFFFAOYSA-N 1 2 352.438 2.231 20 30 FEEDLO Cc1cccnc1CCNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000296716085 553202162 /nfs/dbraw/zinc/20/21/62/553202162.db2.gz LPLYCMMXPNZMQH-UHFFFAOYSA-N 1 2 363.465 2.332 20 30 FEEDLO C[N@H+](CCNC(=O)OC(C)(C)C)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000297285641 553273342 /nfs/dbraw/zinc/27/33/42/553273342.db2.gz ABRYDXXSLQTGFM-INIZCTEOSA-N 1 2 358.442 2.120 20 30 FEEDLO C[N@@H+](CCNC(=O)OC(C)(C)C)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000297285641 553273343 /nfs/dbraw/zinc/27/33/43/553273343.db2.gz ABRYDXXSLQTGFM-INIZCTEOSA-N 1 2 358.442 2.120 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Nc1ccccc1OCCF ZINC000297495565 553300099 /nfs/dbraw/zinc/30/00/99/553300099.db2.gz UGKNSYVRFNYRJP-UHFFFAOYSA-N 1 2 364.421 2.115 20 30 FEEDLO Cn1nc([C@H]2CCC[N@@H+]2CCC(=O)Nc2ccc(C#N)c(Cl)c2)nc1N ZINC000298019580 553372070 /nfs/dbraw/zinc/37/20/70/553372070.db2.gz BBMCHDPUKHOWHZ-CQSZACIVSA-N 1 2 373.848 2.088 20 30 FEEDLO Cn1nc([C@H]2CCC[N@H+]2CCC(=O)Nc2ccc(C#N)c(Cl)c2)nc1N ZINC000298019580 553372071 /nfs/dbraw/zinc/37/20/71/553372071.db2.gz BBMCHDPUKHOWHZ-CQSZACIVSA-N 1 2 373.848 2.088 20 30 FEEDLO C=CCN(Cc1ccccc1)C(=O)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000298280915 553407385 /nfs/dbraw/zinc/40/73/85/553407385.db2.gz NUBIPDSOFMUGOB-UHFFFAOYSA-N 1 2 352.438 2.261 20 30 FEEDLO N#Cc1ccc([C@H]([NH2+]Cc2ccncc2OCC(F)(F)F)C(N)=O)cc1 ZINC000503592391 561645081 /nfs/dbraw/zinc/64/50/81/561645081.db2.gz MLBANOGEZFXAKL-HNNXBMFYSA-N 1 2 364.327 2.211 20 30 FEEDLO N#Cc1ccc([C@@H]([NH2+]Cc2ccncc2OCC(F)(F)F)C(N)=O)cc1 ZINC000503592393 561645177 /nfs/dbraw/zinc/64/51/77/561645177.db2.gz MLBANOGEZFXAKL-OAHLLOKOSA-N 1 2 364.327 2.211 20 30 FEEDLO COc1ccc(CC(N)=[NH+]OCC(=O)Nc2ccc(OC)c(OC)c2)cc1 ZINC000299099538 553515520 /nfs/dbraw/zinc/51/55/20/553515520.db2.gz VZXVKTKJMRRQSI-UHFFFAOYSA-N 1 2 373.409 2.182 20 30 FEEDLO Cc1[nH]nc2nc(C)cc(C(=O)N3CC[NH+](Cc4ccc(C#N)cc4)CC3)c12 ZINC000299639470 553593779 /nfs/dbraw/zinc/59/37/79/553593779.db2.gz KDHUXTGBPTWEAP-UHFFFAOYSA-N 1 2 374.448 2.404 20 30 FEEDLO N#Cc1ccc(N2CC[C@H]([NH+]3CCN(c4cncc(F)c4)CC3)C2=O)cc1 ZINC000299734796 553609921 /nfs/dbraw/zinc/60/99/21/553609921.db2.gz ZXOGDRJYDHOGSQ-IBGZPJMESA-N 1 2 365.412 2.020 20 30 FEEDLO Cc1[nH+]c(-c2ccncc2)nc(N(C)CCCc2[nH]nc(N)c2C#N)c1C ZINC000301175960 553628429 /nfs/dbraw/zinc/62/84/29/553628429.db2.gz MCSDAHCYPLRGAZ-UHFFFAOYSA-N 1 2 362.441 2.401 20 30 FEEDLO N#Cc1nc(NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)ccc1Cl ZINC000301544285 553659411 /nfs/dbraw/zinc/65/94/11/553659411.db2.gz SUEWVOSEPLLOOK-UHFFFAOYSA-N 1 2 370.844 2.152 20 30 FEEDLO N#Cc1cccc(F)c1CC(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000505218198 561668273 /nfs/dbraw/zinc/66/82/73/561668273.db2.gz GYIDZKWTWMSJBS-FQEVSTJZSA-N 1 2 367.424 2.430 20 30 FEEDLO Cc1cc(NC(=O)N(CC[NH+]2CCOCC2)Cc2ccco2)ncc1C#N ZINC000603139903 553714060 /nfs/dbraw/zinc/71/40/60/553714060.db2.gz YIYCKEWWAFIOAI-UHFFFAOYSA-N 1 2 369.425 2.221 20 30 FEEDLO N#Cc1ccc(OCCNc2cc(N3CCCC[C@H]3CO)nc[nH+]2)cc1 ZINC000302876676 553739366 /nfs/dbraw/zinc/73/93/66/553739366.db2.gz FRUGMHIFUOEZRJ-INIZCTEOSA-N 1 2 353.426 2.190 20 30 FEEDLO N#Cc1ccc(OCCNc2cc(N3CCCC[C@H]3CO)[nH+]cn2)cc1 ZINC000302876676 553739368 /nfs/dbraw/zinc/73/93/68/553739368.db2.gz FRUGMHIFUOEZRJ-INIZCTEOSA-N 1 2 353.426 2.190 20 30 FEEDLO Cc1cc2c[nH]nc2c(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)c1 ZINC000328704811 553809728 /nfs/dbraw/zinc/80/97/28/553809728.db2.gz PAPDYDQUXDYHRZ-GOSISDBHSA-N 1 2 360.483 2.384 20 30 FEEDLO Cc1nc(C#N)c(N2CCC(C(=O)N3CCC[C@H](c4[nH]cc[nH+]4)C3)CC2)o1 ZINC000328715942 553811225 /nfs/dbraw/zinc/81/12/25/553811225.db2.gz DPGVCPAZEPZFIP-HNNXBMFYSA-N 1 2 368.441 2.200 20 30 FEEDLO COc1cc(CNC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)c2ccccc2n1 ZINC000328868307 553835780 /nfs/dbraw/zinc/83/57/80/553835780.db2.gz HERVWYJIIBVFGH-ROUUACIJSA-N 1 2 370.453 2.062 20 30 FEEDLO COc1cc(CNC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)c2ccccc2n1 ZINC000328868307 553835783 /nfs/dbraw/zinc/83/57/83/553835783.db2.gz HERVWYJIIBVFGH-ROUUACIJSA-N 1 2 370.453 2.062 20 30 FEEDLO C=CCCc1ccccc1NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000505872864 561683462 /nfs/dbraw/zinc/68/34/62/561683462.db2.gz UBCNAHRFSMNSMC-IBGZPJMESA-N 1 2 373.497 2.217 20 30 FEEDLO Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)[C@@H]2CCc3n[nH]nc3C2)cc1 ZINC000328936331 553848723 /nfs/dbraw/zinc/84/87/23/553848723.db2.gz FWCHLCBPIUEXNH-APWZRJJASA-N 1 2 369.469 2.248 20 30 FEEDLO C[N@@H+]1CC[C@H](NC(=O)N2CCn3ccnc3C2)[C@H]1c1ccc(F)c(F)c1 ZINC000328946582 553850879 /nfs/dbraw/zinc/85/08/79/553850879.db2.gz JZQYJGWUXTXOHB-DOTOQJQBSA-N 1 2 361.396 2.336 20 30 FEEDLO C[N@H+]1CC[C@H](NC(=O)N2CCn3ccnc3C2)[C@H]1c1ccc(F)c(F)c1 ZINC000328946582 553850881 /nfs/dbraw/zinc/85/08/81/553850881.db2.gz JZQYJGWUXTXOHB-DOTOQJQBSA-N 1 2 361.396 2.336 20 30 FEEDLO CN(C)c1ncc(C[N@H+](C)[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cn1 ZINC000506056069 561688915 /nfs/dbraw/zinc/68/89/15/561688915.db2.gz JVMSTYRKVIMHJY-SFHVURJKSA-N 1 2 364.453 2.042 20 30 FEEDLO CN(C)c1ncc(C[N@@H+](C)[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cn1 ZINC000506056069 561688916 /nfs/dbraw/zinc/68/89/16/561688916.db2.gz JVMSTYRKVIMHJY-SFHVURJKSA-N 1 2 364.453 2.042 20 30 FEEDLO Cc1nc2n(n1)C[C@H]([NH+]=C([O-])N1CCC(Cc3ccc[nH+]c3)CC1)CC2 ZINC000329105276 553881661 /nfs/dbraw/zinc/88/16/61/553881661.db2.gz GYQHFFCBOWCBKT-QGZVFWFLSA-N 1 2 354.458 2.165 20 30 FEEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@]12CCC(=O)N1c1ccccc1S2 ZINC000329113980 553882756 /nfs/dbraw/zinc/88/27/56/553882756.db2.gz SCKNHYBMRWDSRF-FZKQIMNGSA-N 1 2 361.467 2.293 20 30 FEEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)[C@]12CCC(=O)N1c1ccccc1S2 ZINC000329113980 553882758 /nfs/dbraw/zinc/88/27/58/553882758.db2.gz SCKNHYBMRWDSRF-FZKQIMNGSA-N 1 2 361.467 2.293 20 30 FEEDLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)N[C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000329115350 553883095 /nfs/dbraw/zinc/88/30/95/553883095.db2.gz MQMPMNQWEITDSY-QUCCMNQESA-N 1 2 370.453 2.273 20 30 FEEDLO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)N1CC[NH+](Cc2ccccn2)CC1 ZINC000329147590 553889239 /nfs/dbraw/zinc/88/92/39/553889239.db2.gz PCFLZRUFTNIDEW-MRXNPFEDSA-N 1 2 356.474 2.226 20 30 FEEDLO C=CCNC(=O)CN1CC[NH+](Cc2ccc3c(c2)CCC(C)(C)O3)CC1 ZINC000506272007 561694732 /nfs/dbraw/zinc/69/47/32/561694732.db2.gz JHSHIADOKOBWRR-UHFFFAOYSA-N 1 2 357.498 2.210 20 30 FEEDLO Cc1cc[nH+]cc1N1CCN(C(=O)NCc2ccc3c(c2)OCCO3)CC1 ZINC000329225695 553906648 /nfs/dbraw/zinc/90/66/48/553906648.db2.gz GPBSNTISPPQMKY-UHFFFAOYSA-N 1 2 368.437 2.397 20 30 FEEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)Nc1cc3n(n1)CCCC3)C2 ZINC000329228660 553907049 /nfs/dbraw/zinc/90/70/49/553907049.db2.gz BYMIKMMSYWNVNC-CYBMUJFWSA-N 1 2 356.474 3.054 20 30 FEEDLO Cc1noc(C)c1[C@H](C)CNC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000329235578 553908049 /nfs/dbraw/zinc/90/80/49/553908049.db2.gz NPHKMJDTFKGQKK-DVOMOZLQSA-N 1 2 350.463 2.104 20 30 FEEDLO CC[N@@H+]1CCc2nc(NC(=O)c3nn(C)c4ccccc4c3=O)sc2C1 ZINC000329239469 553908896 /nfs/dbraw/zinc/90/88/96/553908896.db2.gz QIGCWRBHTWNUIE-UHFFFAOYSA-N 1 2 369.450 2.404 20 30 FEEDLO CC[N@H+]1CCc2nc(NC(=O)c3nn(C)c4ccccc4c3=O)sc2C1 ZINC000329239469 553908898 /nfs/dbraw/zinc/90/88/98/553908898.db2.gz QIGCWRBHTWNUIE-UHFFFAOYSA-N 1 2 369.450 2.404 20 30 FEEDLO CC[C@@H]1CO[C@H](C)CN1C(=O)N[C@H](c1[nH+]ccn1C)C1CCOCC1 ZINC000329268012 553914311 /nfs/dbraw/zinc/91/43/11/553914311.db2.gz DNALWCJVSIUFAE-BMFZPTHFSA-N 1 2 350.463 2.301 20 30 FEEDLO Cc1noc([C@H](NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)C2CCOCC2)n1 ZINC000329375875 553934400 /nfs/dbraw/zinc/93/44/00/553934400.db2.gz LBQSVHSAPYSVSI-MRXNPFEDSA-N 1 2 374.445 2.362 20 30 FEEDLO Cc1noc([C@H](NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)C2CCOCC2)n1 ZINC000329375875 553934401 /nfs/dbraw/zinc/93/44/01/553934401.db2.gz LBQSVHSAPYSVSI-MRXNPFEDSA-N 1 2 374.445 2.362 20 30 FEEDLO C[C@@H]1C[C@H]1C(=O)Nc1ccc(F)cc1C(=O)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000329385022 553935868 /nfs/dbraw/zinc/93/58/68/553935868.db2.gz PEMQTHPFMSLWTC-AQMVCYDESA-N 1 2 361.417 2.225 20 30 FEEDLO C[C@@H]1C[C@H]1C(=O)Nc1ccc(F)cc1C(=O)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000329385022 553935871 /nfs/dbraw/zinc/93/58/71/553935871.db2.gz PEMQTHPFMSLWTC-AQMVCYDESA-N 1 2 361.417 2.225 20 30 FEEDLO CC(C)C(=O)N[C@@H]1CCCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000329409270 553941376 /nfs/dbraw/zinc/94/13/76/553941376.db2.gz CRRALULLYDNSSG-NVXWUHKLSA-N 1 2 351.491 2.233 20 30 FEEDLO CC(C)C(=O)N[C@@H]1CCCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000329409270 553941378 /nfs/dbraw/zinc/94/13/78/553941378.db2.gz CRRALULLYDNSSG-NVXWUHKLSA-N 1 2 351.491 2.233 20 30 FEEDLO C[C@@H]1C[NH+](C(C)(C)CNC(=O)c2csc(=NC3CC3)[nH]2)C[C@@H](C)O1 ZINC000329418297 553943192 /nfs/dbraw/zinc/94/31/92/553943192.db2.gz DROGNPIWLSQHOI-VXGBXAGGSA-N 1 2 352.504 2.910 20 30 FEEDLO C[C@@H]1C[NH+](C(C)(C)CNC(=O)c2csc(NC3CC3)n2)C[C@@H](C)O1 ZINC000329418297 553943194 /nfs/dbraw/zinc/94/31/94/553943194.db2.gz DROGNPIWLSQHOI-VXGBXAGGSA-N 1 2 352.504 2.910 20 30 FEEDLO Cc1c([C@H]2OCC[C@@H]2NC(=O)C2CC[NH+](CC(F)F)CC2)cnn1C ZINC000329483295 553955258 /nfs/dbraw/zinc/95/52/58/553955258.db2.gz FCDINKUEPMFIFU-GOEBONIOSA-N 1 2 356.417 2.492 20 30 FEEDLO CC(C)(C)n1cnc(NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)n1 ZINC000329493537 553957256 /nfs/dbraw/zinc/95/72/56/553957256.db2.gz CVAPGYWOXFHIBJ-UHFFFAOYSA-N 1 2 357.462 2.945 20 30 FEEDLO C[C@@H]1CCCN(c2cc(N3CCC([C@H](O)C(=O)NC4CC4)CC3)[nH+]cn2)C1 ZINC000329643301 553981482 /nfs/dbraw/zinc/98/14/82/553981482.db2.gz DANBAZXBTLVXHU-KUHUBIRLSA-N 1 2 373.501 2.409 20 30 FEEDLO C[C@@H]1CCCN(c2cc(N3CCC([C@H](O)C(=O)NC4CC4)CC3)nc[nH+]2)C1 ZINC000329643301 553981487 /nfs/dbraw/zinc/98/14/87/553981487.db2.gz DANBAZXBTLVXHU-KUHUBIRLSA-N 1 2 373.501 2.409 20 30 FEEDLO C[C@H]1Oc2ccc(NC(=O)N3CC[C@H]([NH+]4CCOCC4)C3)cc2NC1=O ZINC000329673466 553986583 /nfs/dbraw/zinc/98/65/83/553986583.db2.gz SVXPQEKKMBDGFW-OCCSQVGLSA-N 1 2 360.414 2.008 20 30 FEEDLO [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1C[C@H](O)C[C@@H]1c1ccc(F)c(F)c1 ZINC000329735330 553997225 /nfs/dbraw/zinc/99/72/25/553997225.db2.gz KWRDSANLBAKGQF-PSTGCABASA-N 1 2 362.380 2.267 20 30 FEEDLO [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1C[C@H](O)C[C@@H]1c1ccc(F)c(F)c1 ZINC000329735330 553997226 /nfs/dbraw/zinc/99/72/26/553997226.db2.gz KWRDSANLBAKGQF-PSTGCABASA-N 1 2 362.380 2.267 20 30 FEEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])N1CCC[C@@H](n3cncn3)C1)C2 ZINC000329778559 554003940 /nfs/dbraw/zinc/00/39/40/554003940.db2.gz QGKDWLDWBRXLOB-LSDHHAIUSA-N 1 2 371.489 2.338 20 30 FEEDLO Cc1nsc(N2CC[NH+](CC(=O)N(C3CC3)C3CCCC3)CC2)c1C#N ZINC000329845775 554017926 /nfs/dbraw/zinc/01/79/26/554017926.db2.gz OQXUJSWQFXWWCK-UHFFFAOYSA-N 1 2 373.526 2.379 20 30 FEEDLO CC(C)C[C@@H]1CCN(C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)C1 ZINC000329863242 554020862 /nfs/dbraw/zinc/02/08/62/554020862.db2.gz ZABLAZJFPOUDGD-INIZCTEOSA-N 1 2 373.501 2.383 20 30 FEEDLO Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNC(=O)NC[C@@]1(C)CCCO1 ZINC000329899380 554027772 /nfs/dbraw/zinc/02/77/72/554027772.db2.gz FKXUCAQENAVPBG-RLFYNMQTSA-N 1 2 368.453 2.277 20 30 FEEDLO Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNC(=O)NC[C@@]1(C)CCCO1 ZINC000329899380 554027777 /nfs/dbraw/zinc/02/77/77/554027777.db2.gz FKXUCAQENAVPBG-RLFYNMQTSA-N 1 2 368.453 2.277 20 30 FEEDLO COCCN1CCC[N@H+](CC(=O)N[C@@H]2CCCc3ccccc32)CC1=O ZINC000329918749 554031943 /nfs/dbraw/zinc/03/19/43/554031943.db2.gz ZZTVGWUNBZTFSR-GOSISDBHSA-N 1 2 359.470 2.201 20 30 FEEDLO COCCN1CCC[N@@H+](CC(=O)N[C@@H]2CCCc3ccccc32)CC1=O ZINC000329918749 554031945 /nfs/dbraw/zinc/03/19/45/554031945.db2.gz ZZTVGWUNBZTFSR-GOSISDBHSA-N 1 2 359.470 2.201 20 30 FEEDLO C[C@@H]1OCC[C@]12C[N@H+](CC(=O)NCc1cnn(-c3ccccc3)c1)CCO2 ZINC000329926501 554033103 /nfs/dbraw/zinc/03/31/03/554033103.db2.gz WFDGDQNGXBPRNS-JXFKEZNVSA-N 1 2 370.453 2.209 20 30 FEEDLO C[C@@H]1OCC[C@]12C[N@@H+](CC(=O)NCc1cnn(-c3ccccc3)c1)CCO2 ZINC000329926501 554033105 /nfs/dbraw/zinc/03/31/05/554033105.db2.gz WFDGDQNGXBPRNS-JXFKEZNVSA-N 1 2 370.453 2.209 20 30 FEEDLO CCN1CCN([C@@H](C)C(=O)Nc2c(C)nn(C)c2C)C[C@H]1c1[nH]cc[nH+]1 ZINC000329934113 554034765 /nfs/dbraw/zinc/03/47/65/554034765.db2.gz JPKZIXSRMJGGRU-GJZGRUSLSA-N 1 2 359.478 2.115 20 30 FEEDLO Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1CNC(=O)NC[C@H]1CCCCS1 ZINC000329951444 554037917 /nfs/dbraw/zinc/03/79/17/554037917.db2.gz CPUUPNYOJJTCOM-SOUVJXGZSA-N 1 2 369.510 2.122 20 30 FEEDLO Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1CNC(=O)[C@H](O)C1CCCCC1 ZINC000329983474 554043846 /nfs/dbraw/zinc/04/38/46/554043846.db2.gz PPNYRZLDGFQMMA-YQQAZPJKSA-N 1 2 352.454 2.230 20 30 FEEDLO CC[C@@H]1CCC[C@H]1NC(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1 ZINC000329992797 554045750 /nfs/dbraw/zinc/04/57/50/554045750.db2.gz XWWWQPVIEXQDRI-LTIDMASMSA-N 1 2 351.470 2.415 20 30 FEEDLO CC[C@@H]1CCC[C@H]1NC(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1 ZINC000329992797 554045751 /nfs/dbraw/zinc/04/57/51/554045751.db2.gz XWWWQPVIEXQDRI-LTIDMASMSA-N 1 2 351.470 2.415 20 30 FEEDLO O=C(N[C@@H]1CC(=O)N(c2ccccc2)C1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000330048995 554055195 /nfs/dbraw/zinc/05/51/95/554055195.db2.gz IYXWDGSXWWGQMU-OAHLLOKOSA-N 1 2 353.426 2.309 20 30 FEEDLO O=C(N[C@@H]1CC(=O)N(c2ccccc2)C1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000330048995 554055196 /nfs/dbraw/zinc/05/51/96/554055196.db2.gz IYXWDGSXWWGQMU-OAHLLOKOSA-N 1 2 353.426 2.309 20 30 FEEDLO CN(C)C(=O)c1cccc(NC(=O)N[C@H]2CCO[C@@H](c3c[nH+]cn3C)C2)c1 ZINC000330066699 554057844 /nfs/dbraw/zinc/05/78/44/554057844.db2.gz TVNLAVGGUZAMEI-DOTOQJQBSA-N 1 2 371.441 2.177 20 30 FEEDLO O=C(Cn1cc2ccccc2n1)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000330083045 554061613 /nfs/dbraw/zinc/06/16/13/554061613.db2.gz HGCWKLFUVZOBLR-GOSISDBHSA-N 1 2 360.483 2.201 20 30 FEEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN(C(=O)Cc2ccc(C)cc2)CC1 ZINC000507648461 561736571 /nfs/dbraw/zinc/73/65/71/561736571.db2.gz BYCWXBXMEHMYCC-IBGZPJMESA-N 1 2 371.525 2.495 20 30 FEEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)[C@@H]2CCCN2c2ccccc2)CC1 ZINC000330210181 554085914 /nfs/dbraw/zinc/08/59/14/554085914.db2.gz IDWPKJYOEXQZOR-APWZRJJASA-N 1 2 370.497 2.307 20 30 FEEDLO O=C(C[N@@H+]1CCOC[C@@H](C2CCC2)C1)Nc1cc(-n2cnnn2)ccc1F ZINC000330253229 554093600 /nfs/dbraw/zinc/09/36/00/554093600.db2.gz ORGRWZUDZIKSKN-AWEZNQCLSA-N 1 2 374.420 2.138 20 30 FEEDLO O=C(C[N@H+]1CCOC[C@@H](C2CCC2)C1)Nc1cc(-n2cnnn2)ccc1F ZINC000330253229 554093602 /nfs/dbraw/zinc/09/36/02/554093602.db2.gz ORGRWZUDZIKSKN-AWEZNQCLSA-N 1 2 374.420 2.138 20 30 FEEDLO O=C(C[N@@H+]1CCN2C(=O)NC[C@@H]2C1)NCC1(c2ccccc2)CCCC1 ZINC000330280911 554098310 /nfs/dbraw/zinc/09/83/10/554098310.db2.gz TWODIZJOCHPGQU-QGZVFWFLSA-N 1 2 356.470 2.369 20 30 FEEDLO O=C(C[N@H+]1CCN2C(=O)NC[C@@H]2C1)NCC1(c2ccccc2)CCCC1 ZINC000330280911 554098311 /nfs/dbraw/zinc/09/83/11/554098311.db2.gz TWODIZJOCHPGQU-QGZVFWFLSA-N 1 2 356.470 2.369 20 30 FEEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)CCO1 ZINC000330282851 554098743 /nfs/dbraw/zinc/09/87/43/554098743.db2.gz AYFZJZLPZFIOGO-CPUCHLNUSA-N 1 2 360.458 2.388 20 30 FEEDLO COc1ccc(NC(=O)NC[C@H]2CN(C)CC[N@@H+]2C)c(Br)c1 ZINC000330839981 554177908 /nfs/dbraw/zinc/17/79/08/554177908.db2.gz MWUYRILWZCZIGE-NSHDSACASA-N 1 2 371.279 2.029 20 30 FEEDLO COc1ccc(NC(=O)NC[C@H]2CN(C)CC[N@H+]2C)c(Br)c1 ZINC000330839981 554177913 /nfs/dbraw/zinc/17/79/13/554177913.db2.gz MWUYRILWZCZIGE-NSHDSACASA-N 1 2 371.279 2.029 20 30 FEEDLO CCCN(CCC)S(=O)(=O)N1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000331130760 554218734 /nfs/dbraw/zinc/21/87/34/554218734.db2.gz SWCBGYLJUHIASO-UHFFFAOYSA-N 1 2 364.515 2.043 20 30 FEEDLO CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000331304774 554244539 /nfs/dbraw/zinc/24/45/39/554244539.db2.gz UPJWTZWZWJVHNT-VHSXEESVSA-N 1 2 361.368 2.047 20 30 FEEDLO CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000331304774 554244541 /nfs/dbraw/zinc/24/45/41/554244541.db2.gz UPJWTZWZWJVHNT-VHSXEESVSA-N 1 2 361.368 2.047 20 30 FEEDLO Cc1oc(C#N)cc1C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000331839478 554328040 /nfs/dbraw/zinc/32/80/40/554328040.db2.gz CZFCXEGWEHVDSH-BETUJISGSA-N 1 2 354.410 2.398 20 30 FEEDLO CN(Cc1cn2c([nH+]1)CCCC2)S(=O)(=O)Cc1ccc(F)cc1C#N ZINC000332019668 554364725 /nfs/dbraw/zinc/36/47/25/554364725.db2.gz ZQQQOFPJWNTXSU-UHFFFAOYSA-N 1 2 362.430 2.192 20 30 FEEDLO C=CC[N@@H+](Cc1oncc1C(=O)OC)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000509669556 561810098 /nfs/dbraw/zinc/81/00/98/561810098.db2.gz HGAICCOOPQGKJX-CYBMUJFWSA-N 1 2 368.397 2.186 20 30 FEEDLO C=CC[N@H+](Cc1oncc1C(=O)OC)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000509669556 561810100 /nfs/dbraw/zinc/81/01/00/561810100.db2.gz HGAICCOOPQGKJX-CYBMUJFWSA-N 1 2 368.397 2.186 20 30 FEEDLO CC[C@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000332526271 554462683 /nfs/dbraw/zinc/46/26/83/554462683.db2.gz FFHUFTWSRGEAPN-AEFFLSMTSA-N 1 2 355.486 2.255 20 30 FEEDLO CC[C@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000332526274 554462880 /nfs/dbraw/zinc/46/28/80/554462880.db2.gz FFHUFTWSRGEAPN-WMZOPIPTSA-N 1 2 355.486 2.255 20 30 FEEDLO COc1cc(CN2CC[NH+](CC(=O)N3CCCC[C@H]3C)CC2)ccc1C#N ZINC000332552331 554470241 /nfs/dbraw/zinc/47/02/41/554470241.db2.gz QKZIFLDKPRHLJB-QGZVFWFLSA-N 1 2 370.497 2.085 20 30 FEEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)c2nc(-c3ccccc3)[nH]c2C)c1C#N ZINC000611166451 554611384 /nfs/dbraw/zinc/61/13/84/554611384.db2.gz PMSVNVVXUQEAFN-UHFFFAOYSA-N 1 2 363.425 2.384 20 30 FEEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)c2[nH]c(-c3ccccc3)nc2C)c1C#N ZINC000611166451 554611386 /nfs/dbraw/zinc/61/13/86/554611386.db2.gz PMSVNVVXUQEAFN-UHFFFAOYSA-N 1 2 363.425 2.384 20 30 FEEDLO CC1(C)C[S@@](=O)CC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000334039899 554671308 /nfs/dbraw/zinc/67/13/08/554671308.db2.gz OAVCGVHGHAJKIV-DEOSSOPVSA-N 1 2 365.524 2.280 20 30 FEEDLO CC1(C)C[S@@](=O)CC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000334039899 554671310 /nfs/dbraw/zinc/67/13/10/554671310.db2.gz OAVCGVHGHAJKIV-DEOSSOPVSA-N 1 2 365.524 2.280 20 30 FEEDLO N#Cc1cccc(-n2ccc(-c3nc([C@H]4C[N@@H+](C5CC5)CCO4)no3)n2)c1 ZINC000350063101 554758045 /nfs/dbraw/zinc/75/80/45/554758045.db2.gz DVXNTTKIUKHVPN-QGZVFWFLSA-N 1 2 362.393 2.330 20 30 FEEDLO N#Cc1cccc(-n2ccc(-c3nc([C@H]4C[N@H+](C5CC5)CCO4)no3)n2)c1 ZINC000350063101 554758047 /nfs/dbraw/zinc/75/80/47/554758047.db2.gz DVXNTTKIUKHVPN-QGZVFWFLSA-N 1 2 362.393 2.330 20 30 FEEDLO CC[N@@H+]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)[C@@H](C)C1 ZINC000511241445 561862525 /nfs/dbraw/zinc/86/25/25/561862525.db2.gz PFKXTUYUISAOFZ-NSHDSACASA-N 1 2 361.389 2.292 20 30 FEEDLO CC[N@H+]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)[C@@H](C)C1 ZINC000511241445 561862526 /nfs/dbraw/zinc/86/25/26/561862526.db2.gz PFKXTUYUISAOFZ-NSHDSACASA-N 1 2 361.389 2.292 20 30 FEEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)[C@H]1CCN(C)C1=O ZINC000511587424 561873590 /nfs/dbraw/zinc/87/35/90/561873590.db2.gz WERFMNRAFAMQOA-ZFWWWQNUSA-N 1 2 360.483 2.039 20 30 FEEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)[C@H]1CCN(C)C1=O ZINC000511587424 561873591 /nfs/dbraw/zinc/87/35/91/561873591.db2.gz WERFMNRAFAMQOA-ZFWWWQNUSA-N 1 2 360.483 2.039 20 30 FEEDLO N#Cc1ccc(CNC(=O)C[N@H+]2Cc3ccccc3[C@@H](n3cccn3)C2)cc1 ZINC000363229725 555059412 /nfs/dbraw/zinc/05/94/12/555059412.db2.gz HWNNSMMVLHHFMR-NRFANRHFSA-N 1 2 371.444 2.476 20 30 FEEDLO N#Cc1ccc(CNC(=O)C[N@@H+]2Cc3ccccc3[C@@H](n3cccn3)C2)cc1 ZINC000363229725 555059416 /nfs/dbraw/zinc/05/94/16/555059416.db2.gz HWNNSMMVLHHFMR-NRFANRHFSA-N 1 2 371.444 2.476 20 30 FEEDLO N#Cc1ccsc1NC(=O)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000511926370 561885773 /nfs/dbraw/zinc/88/57/73/561885773.db2.gz PPAFVLVMLNPPCN-UHFFFAOYSA-N 1 2 365.418 2.119 20 30 FEEDLO N#CCCCS(=O)(=O)N[C@@H]1CC[N@H+](C2CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000363686034 555163900 /nfs/dbraw/zinc/16/39/00/555163900.db2.gz CSTOUAJSECQVQH-IAGOWNOFSA-N 1 2 369.437 2.466 20 30 FEEDLO N#CCCCS(=O)(=O)N[C@@H]1CC[N@@H+](C2CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000363686034 555163902 /nfs/dbraw/zinc/16/39/02/555163902.db2.gz CSTOUAJSECQVQH-IAGOWNOFSA-N 1 2 369.437 2.466 20 30 FEEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCCN(C(=O)c2ccco2)CC1 ZINC000364547897 555334267 /nfs/dbraw/zinc/33/42/67/555334267.db2.gz DNFKSIBYFRXXPK-OAHLLOKOSA-N 1 2 366.421 2.326 20 30 FEEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCCN(C(=O)c2ccco2)CC1 ZINC000364547897 555334269 /nfs/dbraw/zinc/33/42/69/555334269.db2.gz DNFKSIBYFRXXPK-OAHLLOKOSA-N 1 2 366.421 2.326 20 30 FEEDLO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)cc1C ZINC000364955653 555449470 /nfs/dbraw/zinc/44/94/70/555449470.db2.gz QOOMFIDZXFUQON-XKGZKEIXSA-N 1 2 368.481 2.136 20 30 FEEDLO Cc1ccc(N(CCC#N)C(=O)C[N@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)cc1C ZINC000364955653 555449473 /nfs/dbraw/zinc/44/94/73/555449473.db2.gz QOOMFIDZXFUQON-XKGZKEIXSA-N 1 2 368.481 2.136 20 30 FEEDLO N#Cc1ccc(Br)c(C[N@@H+]2CCC[C@@H](N3CCNC3=O)C2)c1 ZINC000365048027 555472882 /nfs/dbraw/zinc/47/28/82/555472882.db2.gz DIZRMOBCWXXUBY-CQSZACIVSA-N 1 2 363.259 2.310 20 30 FEEDLO N#Cc1ccc(Br)c(C[N@H+]2CCC[C@@H](N3CCNC3=O)C2)c1 ZINC000365048027 555472884 /nfs/dbraw/zinc/47/28/84/555472884.db2.gz DIZRMOBCWXXUBY-CQSZACIVSA-N 1 2 363.259 2.310 20 30 FEEDLO C[C@@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1c(F)cncc1F ZINC000513275140 561931882 /nfs/dbraw/zinc/93/18/82/561931882.db2.gz BBKMFTOYPCHFMY-LLVKDONJSA-N 1 2 351.378 2.356 20 30 FEEDLO C[C@@H]1C[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C[C@@]2(CCCOC2)O1 ZINC000366578962 555881783 /nfs/dbraw/zinc/88/17/83/555881783.db2.gz QPPRIIQQLXYFKI-AUUYWEPGSA-N 1 2 354.410 2.378 20 30 FEEDLO C[C@@H]1C[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C[C@@]2(CCCOC2)O1 ZINC000366578962 555881788 /nfs/dbraw/zinc/88/17/88/555881788.db2.gz QPPRIIQQLXYFKI-AUUYWEPGSA-N 1 2 354.410 2.378 20 30 FEEDLO C[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc(C#N)s2)[C@H]1c1ccc(F)cc1 ZINC000366622345 555892957 /nfs/dbraw/zinc/89/29/57/555892957.db2.gz NGRFDQDNYNTYBS-GDBMZVCRSA-N 1 2 365.455 2.483 20 30 FEEDLO C[N@H+]1CC[C@@H](NS(=O)(=O)c2ccc(C#N)s2)[C@H]1c1ccc(F)cc1 ZINC000366622345 555892960 /nfs/dbraw/zinc/89/29/60/555892960.db2.gz NGRFDQDNYNTYBS-GDBMZVCRSA-N 1 2 365.455 2.483 20 30 FEEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@H]1c1nc(N(C)C)no1 ZINC000366714458 555916431 /nfs/dbraw/zinc/91/64/31/555916431.db2.gz SOUBUBRYZMXTPI-AWEZNQCLSA-N 1 2 357.414 2.232 20 30 FEEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@H]1c1nc(N(C)C)no1 ZINC000366714458 555916432 /nfs/dbraw/zinc/91/64/32/555916432.db2.gz SOUBUBRYZMXTPI-AWEZNQCLSA-N 1 2 357.414 2.232 20 30 FEEDLO C#CC[C@@H](NC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1)c1ccccc1 ZINC000366765321 555928494 /nfs/dbraw/zinc/92/84/94/555928494.db2.gz OXERGTZOMZZLOB-QUCCMNQESA-N 1 2 373.522 2.258 20 30 FEEDLO N#CC[C@@H](CC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1)c1ccccc1 ZINC000366830315 555945569 /nfs/dbraw/zinc/94/55/69/555945569.db2.gz RYTJOMCHPMCMQO-AZUAARDMSA-N 1 2 373.522 2.398 20 30 FEEDLO C[C@H]([NH2+]CC(=O)N[C@@](C)(C#N)C1CC1)c1nc(-c2ccc(F)cc2)no1 ZINC000368323613 556278250 /nfs/dbraw/zinc/27/82/50/556278250.db2.gz HXTAGKDQFYOYOQ-VOJFVSQTSA-N 1 2 357.389 2.335 20 30 FEEDLO COCC[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)[C@@H]1CCCc2cccnc21 ZINC000368368815 556289457 /nfs/dbraw/zinc/28/94/57/556289457.db2.gz CDXTUXYYKCWICL-XLIONFOSSA-N 1 2 356.470 2.216 20 30 FEEDLO COCC[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)[C@@H]1CCCc2cccnc21 ZINC000368368815 556289458 /nfs/dbraw/zinc/28/94/58/556289458.db2.gz CDXTUXYYKCWICL-XLIONFOSSA-N 1 2 356.470 2.216 20 30 FEEDLO C=CCCCCCNC(=O)N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC000515309430 562004650 /nfs/dbraw/zinc/00/46/50/562004650.db2.gz DWHSZRARUWCBCB-QGZVFWFLSA-N 1 2 350.507 2.071 20 30 FEEDLO N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000515812890 562022719 /nfs/dbraw/zinc/02/27/19/562022719.db2.gz SWTYRSKETGNFNH-ZIFCJYIRSA-N 1 2 354.454 2.098 20 30 FEEDLO N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000515812890 562022720 /nfs/dbraw/zinc/02/27/20/562022720.db2.gz SWTYRSKETGNFNH-ZIFCJYIRSA-N 1 2 354.454 2.098 20 30 FEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCOC[C@H]1Cc1c[nH]c2ccccc12 ZINC000369191802 556531107 /nfs/dbraw/zinc/53/11/07/556531107.db2.gz BWNIQLVLTKNFON-SJLPKXTDSA-N 1 2 368.481 2.419 20 30 FEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCOC[C@H]1Cc1c[nH]c2ccccc12 ZINC000369191802 556531110 /nfs/dbraw/zinc/53/11/10/556531110.db2.gz BWNIQLVLTKNFON-SJLPKXTDSA-N 1 2 368.481 2.419 20 30 FEEDLO N#CC1(c2ccccn2)CC[NH+]([C@@H]2CC(=O)N(Cc3ccccc3)C2=O)CC1 ZINC000369216603 556537935 /nfs/dbraw/zinc/53/79/35/556537935.db2.gz VCYOYTKCSUCDMF-GOSISDBHSA-N 1 2 374.444 2.266 20 30 FEEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@H](C(=O)N2CCCCC2)C1 ZINC000369384655 556586332 /nfs/dbraw/zinc/58/63/32/556586332.db2.gz FBZWDWGPWOZVNL-HNNXBMFYSA-N 1 2 360.483 2.283 20 30 FEEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@H](C(=O)N2CCCCC2)C1 ZINC000369384655 556586335 /nfs/dbraw/zinc/58/63/35/556586335.db2.gz FBZWDWGPWOZVNL-HNNXBMFYSA-N 1 2 360.483 2.283 20 30 FEEDLO CCc1nc(C[N@H+]2C[C@H]3CN(c4ncc(C#N)cc4Cl)C[C@H]3C2)no1 ZINC000369384027 556586383 /nfs/dbraw/zinc/58/63/83/556586383.db2.gz AAWGTVKYUXMOHU-BETUJISGSA-N 1 2 358.833 2.120 20 30 FEEDLO CCc1nc(C[N@@H+]2C[C@H]3CN(c4ncc(C#N)cc4Cl)C[C@H]3C2)no1 ZINC000369384027 556586385 /nfs/dbraw/zinc/58/63/85/556586385.db2.gz AAWGTVKYUXMOHU-BETUJISGSA-N 1 2 358.833 2.120 20 30 FEEDLO CC(C)CO[C@H](C)c1noc(C[NH+]2CCC(n3cnc(C#N)n3)CC2)n1 ZINC000369387960 556587325 /nfs/dbraw/zinc/58/73/25/556587325.db2.gz DNSVXASEUOGMPM-CYBMUJFWSA-N 1 2 359.434 2.103 20 30 FEEDLO N#Cc1ccc(C[C@@H](C#N)C(=O)N[C@@H]2CCCN(c3cccc[nH+]3)C2)cc1 ZINC000369406168 556593311 /nfs/dbraw/zinc/59/33/11/556593311.db2.gz IKFBZXTWVIMVHQ-RBUKOAKNSA-N 1 2 359.433 2.421 20 30 FEEDLO C#CCSCCNC(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(OC)c1 ZINC000369603744 556644276 /nfs/dbraw/zinc/64/42/76/556644276.db2.gz ZWTVJOQOCVVYJS-MRXNPFEDSA-N 1 2 358.467 2.184 20 30 FEEDLO C#CC[C@H](C)NC(=O)N[C@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1 ZINC000369772242 556690500 /nfs/dbraw/zinc/69/05/00/556690500.db2.gz ZOCGRSATUNKBMI-GUYCJALGSA-N 1 2 356.426 2.238 20 30 FEEDLO C[C@@H](C(=O)Nc1ccccc1C#N)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000369808855 556701262 /nfs/dbraw/zinc/70/12/62/556701262.db2.gz NWDGJOZHCJFTSF-FUHWJXTLSA-N 1 2 356.470 2.072 20 30 FEEDLO COc1cc(/C=C/C(=O)NC[C@H]2CCn3cc[nH+]c3C2)ccc1OCC#N ZINC000369813062 556702260 /nfs/dbraw/zinc/70/22/60/556702260.db2.gz DPHWTNQOOYGHIY-WMHVBEDNSA-N 1 2 366.421 2.186 20 30 FEEDLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000369863552 556716067 /nfs/dbraw/zinc/71/60/67/556716067.db2.gz WEPWFWVIWMLFHZ-RLLQIKCJSA-N 1 2 369.513 2.104 20 30 FEEDLO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)NC[C@@H](C)Cn3cc[nH+]c3)C2)n1 ZINC000370028043 556761863 /nfs/dbraw/zinc/76/18/63/556761863.db2.gz SKBINCDJOJOANB-QAPCUYQASA-N 1 2 366.469 2.127 20 30 FEEDLO C[C@H]([C@H](C)[N@H+](C)Cc1cn(C)nc1-c1ccc(C#N)cc1)S(C)(=O)=O ZINC000370365527 556851838 /nfs/dbraw/zinc/85/18/38/556851838.db2.gz GGPOJKYCUBBFHD-UONOGXRCSA-N 1 2 360.483 2.212 20 30 FEEDLO C[C@H]([C@H](C)[N@@H+](C)Cc1cn(C)nc1-c1ccc(C#N)cc1)S(C)(=O)=O ZINC000370365527 556851839 /nfs/dbraw/zinc/85/18/39/556851839.db2.gz GGPOJKYCUBBFHD-UONOGXRCSA-N 1 2 360.483 2.212 20 30 FEEDLO Cn1cc(C[NH+]2CCN(C(=O)Nc3cc(C#N)cn3C(C)(C)C)CC2)cn1 ZINC000516858696 562061033 /nfs/dbraw/zinc/06/10/33/562061033.db2.gz VULJSIDHBAMCMS-UHFFFAOYSA-N 1 2 369.473 2.198 20 30 FEEDLO N#Cc1ccc(SCC(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)cc1 ZINC000370545708 556904599 /nfs/dbraw/zinc/90/45/99/556904599.db2.gz HLZASLKUYLWADY-MSOLQXFVSA-N 1 2 359.495 2.410 20 30 FEEDLO C[C@@H](CC(=O)N1CSC[C@@H]1C(=O)Nc1ccc(C#N)cc1)n1cc[nH+]c1 ZINC000516930760 562065714 /nfs/dbraw/zinc/06/57/14/562065714.db2.gz ZMLZRJORDBHPQP-XJKSGUPXSA-N 1 2 369.450 2.246 20 30 FEEDLO C=CC[N@@H+](Cc1ncnn1CCC)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000517070655 562074535 /nfs/dbraw/zinc/07/45/35/562074535.db2.gz DSDQEFQKTVKFAM-OAHLLOKOSA-N 1 2 352.446 2.413 20 30 FEEDLO C=CC[N@H+](Cc1ncnn1CCC)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000517070655 562074536 /nfs/dbraw/zinc/07/45/36/562074536.db2.gz DSDQEFQKTVKFAM-OAHLLOKOSA-N 1 2 352.446 2.413 20 30 FEEDLO C[C@@H](NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000371334369 557149798 /nfs/dbraw/zinc/14/97/98/557149798.db2.gz FIXZAYPNOZLDIW-SJORKVTESA-N 1 2 368.481 2.466 20 30 FEEDLO C=CCN(C(=O)CS(=O)(=O)CCC)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000372598279 557516610 /nfs/dbraw/zinc/51/66/10/557516610.db2.gz DTCRJQDOUSPSGS-SFHVURJKSA-N 1 2 364.511 2.100 20 30 FEEDLO C=CCN(C(=O)CS(=O)(=O)CCC)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000372598279 557516611 /nfs/dbraw/zinc/51/66/11/557516611.db2.gz DTCRJQDOUSPSGS-SFHVURJKSA-N 1 2 364.511 2.100 20 30 FEEDLO COc1ccc(C#N)cc1C[N@@H+]1CCCN(C(=O)c2ccccn2)CC1 ZINC000372768329 557558712 /nfs/dbraw/zinc/55/87/12/557558712.db2.gz SXNGEBZWQSCNBM-UHFFFAOYSA-N 1 2 350.422 2.310 20 30 FEEDLO COc1ccc(C#N)cc1C[N@H+]1CCCN(C(=O)c2ccccn2)CC1 ZINC000372768329 557558714 /nfs/dbraw/zinc/55/87/14/557558714.db2.gz SXNGEBZWQSCNBM-UHFFFAOYSA-N 1 2 350.422 2.310 20 30 FEEDLO CCOC(=O)c1n[nH]c(C2CC[NH+](Cc3ccc(F)cc3C#N)CC2)n1 ZINC000373106078 557629790 /nfs/dbraw/zinc/62/97/90/557629790.db2.gz FNLJIBGLXNKKBD-UHFFFAOYSA-N 1 2 357.389 2.372 20 30 FEEDLO Cn1cc[nH+]c1-c1cccc(NC(=O)C(=O)NCCc2cccc(C#N)c2)c1 ZINC000374120967 557827451 /nfs/dbraw/zinc/82/74/51/557827451.db2.gz PKPJADIAYWQKIZ-UHFFFAOYSA-N 1 2 373.416 2.256 20 30 FEEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@H]2C(=O)Nc2cc(C)ccc2OC)C1=O ZINC000374163682 557834759 /nfs/dbraw/zinc/83/47/59/557834759.db2.gz PWHHICSEFYMRPP-IRXDYDNUSA-N 1 2 357.454 2.193 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@H]2C(=O)Nc2cc(C)ccc2OC)C1=O ZINC000374163682 557834762 /nfs/dbraw/zinc/83/47/62/557834762.db2.gz PWHHICSEFYMRPP-IRXDYDNUSA-N 1 2 357.454 2.193 20 30 FEEDLO N#Cc1cccc(-n2ccc(C(=O)N[C@H]3CCN(c4cccc[nH+]4)C3)n2)c1 ZINC000374276892 557856757 /nfs/dbraw/zinc/85/67/57/557856757.db2.gz GKKCFPBFEVAGQR-INIZCTEOSA-N 1 2 358.405 2.148 20 30 FEEDLO CC(C)[C@@H](CNC(=O)[C@]1(C#N)CCc2ccccc2C1)[NH+]1CCOCC1 ZINC000375015753 557964485 /nfs/dbraw/zinc/96/44/85/557964485.db2.gz DNZUHMIXOYZZHM-TZIWHRDSSA-N 1 2 355.482 2.158 20 30 FEEDLO N#Cc1ccc([C@@H](O)C[N@H+]2CCc3c(sc4ncnc(N)c43)C2)cc1 ZINC000375133538 557982135 /nfs/dbraw/zinc/98/21/35/557982135.db2.gz DIFDVOMHQWEGJZ-AWEZNQCLSA-N 1 2 351.435 2.237 20 30 FEEDLO N#Cc1ccc([C@@H](O)C[N@@H+]2CCc3c(sc4ncnc(N)c43)C2)cc1 ZINC000375133538 557982137 /nfs/dbraw/zinc/98/21/37/557982137.db2.gz DIFDVOMHQWEGJZ-AWEZNQCLSA-N 1 2 351.435 2.237 20 30 FEEDLO O=C(C[N@@H+]1CCO[C@H](C2CC2)C1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000375332746 558010553 /nfs/dbraw/zinc/01/05/53/558010553.db2.gz NGQYWUIOVAKRHK-KRWDZBQOSA-N 1 2 366.383 2.284 20 30 FEEDLO O=C(C[N@H+]1CCO[C@H](C2CC2)C1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000375332746 558010555 /nfs/dbraw/zinc/01/05/55/558010555.db2.gz NGQYWUIOVAKRHK-KRWDZBQOSA-N 1 2 366.383 2.284 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)cc1 ZINC000375962466 558105755 /nfs/dbraw/zinc/10/57/55/558105755.db2.gz ODXYEMZTGBBPSD-IBGZPJMESA-N 1 2 374.437 2.065 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)cc1 ZINC000375962466 558105757 /nfs/dbraw/zinc/10/57/57/558105757.db2.gz ODXYEMZTGBBPSD-IBGZPJMESA-N 1 2 374.437 2.065 20 30 FEEDLO CC[C@@H]1C[N@@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@]2(CCCOC2)O1 ZINC000376016942 558114083 /nfs/dbraw/zinc/11/40/83/558114083.db2.gz ZFUQHBKMWCFRQC-SBHAEUEKSA-N 1 2 369.465 2.324 20 30 FEEDLO CC[C@@H]1C[N@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@]2(CCCOC2)O1 ZINC000376016942 558114084 /nfs/dbraw/zinc/11/40/84/558114084.db2.gz ZFUQHBKMWCFRQC-SBHAEUEKSA-N 1 2 369.465 2.324 20 30 FEEDLO C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(Oc2cnccn2)CC1 ZINC000376032082 558116564 /nfs/dbraw/zinc/11/65/64/558116564.db2.gz KHEGDKXUFDYEBH-CQSZACIVSA-N 1 2 351.410 2.219 20 30 FEEDLO C#CCn1ccc(CN(CC)C(=O)NC[C@H]2CCCn3cc(C)[nH+]c32)n1 ZINC000376083060 558124647 /nfs/dbraw/zinc/12/46/47/558124647.db2.gz POAMDFWXVUAYLK-MRXNPFEDSA-N 1 2 354.458 2.130 20 30 FEEDLO C#CC[C@@H](Cc1ccccc1)NC(=O)C1(N2CC[NH+](C)CC2)CCCC1 ZINC000376204539 558140746 /nfs/dbraw/zinc/14/07/46/558140746.db2.gz CRVYLJYIHBNZFA-FQEVSTJZSA-N 1 2 353.510 2.297 20 30 FEEDLO C#CCN(Cc1ccccc1)C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000376645978 558202460 /nfs/dbraw/zinc/20/24/60/558202460.db2.gz YQFCGVWJCRLQAG-FQEVSTJZSA-N 1 2 373.522 2.039 20 30 FEEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000376780659 558220686 /nfs/dbraw/zinc/22/06/86/558220686.db2.gz WADMMISOPZQESF-NZSAHSFTSA-N 1 2 356.470 2.188 20 30 FEEDLO C=CC[C@@H](C)NC(=O)N1CC[NH+]([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000377388187 558331387 /nfs/dbraw/zinc/33/13/87/558331387.db2.gz JTCMLSVEICPAIU-CVEARBPZSA-N 1 2 366.506 2.288 20 30 FEEDLO C[N@@H+]1CCN(CC(=O)N[C@](C)(C#N)C2CC2)C[C@@H]1c1ccccc1Cl ZINC000377526754 558357585 /nfs/dbraw/zinc/35/75/85/558357585.db2.gz XHUUZMOQPUMUIE-IEBWSBKVSA-N 1 2 360.889 2.437 20 30 FEEDLO C[N@H+]1CCN(CC(=O)N[C@](C)(C#N)C2CC2)C[C@@H]1c1ccccc1Cl ZINC000377526754 558357588 /nfs/dbraw/zinc/35/75/88/558357588.db2.gz XHUUZMOQPUMUIE-IEBWSBKVSA-N 1 2 360.889 2.437 20 30 FEEDLO N#C[C@@H]1C[N@@H+](C[C@H](O)c2c(F)cccc2F)C[C@@]12C(=O)Nc1ccccc12 ZINC000378258660 558513870 /nfs/dbraw/zinc/51/38/70/558513870.db2.gz JOZFQGUWKYGKRO-GIJMVEMTSA-N 1 2 369.371 2.344 20 30 FEEDLO N#C[C@@H]1C[N@H+](C[C@H](O)c2c(F)cccc2F)C[C@@]12C(=O)Nc1ccccc12 ZINC000378258660 558513871 /nfs/dbraw/zinc/51/38/71/558513871.db2.gz JOZFQGUWKYGKRO-GIJMVEMTSA-N 1 2 369.371 2.344 20 30 FEEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000378296936 558523179 /nfs/dbraw/zinc/52/31/79/558523179.db2.gz ZZRBBSDNRVGLCX-QYWGDWMGSA-N 1 2 366.465 2.145 20 30 FEEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000378296936 558523180 /nfs/dbraw/zinc/52/31/80/558523180.db2.gz ZZRBBSDNRVGLCX-QYWGDWMGSA-N 1 2 366.465 2.145 20 30 FEEDLO N#CCCn1cc(C[N@@H+]2CCN3C(=O)OC[C@H]3C2)c(-c2ccccc2)n1 ZINC000378345485 558534932 /nfs/dbraw/zinc/53/49/32/558534932.db2.gz KUJKBQQRFBECKW-QGZVFWFLSA-N 1 2 351.410 2.100 20 30 FEEDLO N#CCCn1cc(C[N@H+]2CCN3C(=O)OC[C@H]3C2)c(-c2ccccc2)n1 ZINC000378345485 558534933 /nfs/dbraw/zinc/53/49/33/558534933.db2.gz KUJKBQQRFBECKW-QGZVFWFLSA-N 1 2 351.410 2.100 20 30 FEEDLO N#Cc1ccc2[nH+]cc(CN3C[C@@H](C#N)[C@]4(C3)C(=O)Nc3ccccc34)n2c1 ZINC000378372935 558543039 /nfs/dbraw/zinc/54/30/39/558543039.db2.gz SGULWHMHZANUAB-VFNWGFHPSA-N 1 2 368.400 2.051 20 30 FEEDLO N#Cc1ccc(CNC(=O)C[N@H+]2CCC[C@@H](OCC(F)(F)F)C2)cc1 ZINC000523442915 562213349 /nfs/dbraw/zinc/21/33/49/562213349.db2.gz WLSDAEMFBMRSGC-OAHLLOKOSA-N 1 2 355.360 2.218 20 30 FEEDLO N#Cc1ccc(CNC(=O)C[N@@H+]2CCC[C@@H](OCC(F)(F)F)C2)cc1 ZINC000523442915 562213350 /nfs/dbraw/zinc/21/33/50/562213350.db2.gz WLSDAEMFBMRSGC-OAHLLOKOSA-N 1 2 355.360 2.218 20 30 FEEDLO N#Cc1c(Cl)nsc1N1CCC2(CC1)NC(=O)C1(CCCCC1)[NH2+]2 ZINC000378431568 558555396 /nfs/dbraw/zinc/55/53/96/558555396.db2.gz VXRFMKCUHZIFGM-UHFFFAOYSA-N 1 2 365.890 2.387 20 30 FEEDLO C[C@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000408080079 558644307 /nfs/dbraw/zinc/64/43/07/558644307.db2.gz BCDAJOPZSXXLEQ-QWRGUYRKSA-N 1 2 361.389 2.290 20 30 FEEDLO C[C@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000408080079 558644310 /nfs/dbraw/zinc/64/43/10/558644310.db2.gz BCDAJOPZSXXLEQ-QWRGUYRKSA-N 1 2 361.389 2.290 20 30 FEEDLO C=C1CC[NH+]([C@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)CC1 ZINC000524564421 562230350 /nfs/dbraw/zinc/23/03/50/562230350.db2.gz VSNLMVNSHNPHAK-MRXNPFEDSA-N 1 2 354.454 2.463 20 30 FEEDLO N#Cc1cccc(N2CC[NH+]([C@@H]3CCN(c4ccc(F)cc4)C3=O)CC2)n1 ZINC000411533075 558912008 /nfs/dbraw/zinc/91/20/08/558912008.db2.gz ZPBFDPFBDLJAKO-GOSISDBHSA-N 1 2 365.412 2.020 20 30 FEEDLO Cc1cccc(NC(=O)C(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2)c1C#N ZINC000525779575 562254810 /nfs/dbraw/zinc/25/48/10/562254810.db2.gz XMSNZSDVBDNWDA-SFHVURJKSA-N 1 2 373.416 2.445 20 30 FEEDLO O=S1(=O)CCCN1C1CC[NH+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000411834035 558972575 /nfs/dbraw/zinc/97/25/75/558972575.db2.gz MECNZPDTNMKBIU-UHFFFAOYSA-N 1 2 352.887 2.191 20 30 FEEDLO CC(C)[N@@H+]1CC[C@H](NS(=O)(=O)[C@H](C)C#N)[C@H]1c1ccc(F)c(F)c1 ZINC000416458348 559314474 /nfs/dbraw/zinc/31/44/74/559314474.db2.gz QAWOBBZNYFNXHH-XFBWCDHKSA-N 1 2 357.426 2.320 20 30 FEEDLO CC(C)[N@H+]1CC[C@H](NS(=O)(=O)[C@H](C)C#N)[C@H]1c1ccc(F)c(F)c1 ZINC000416458348 559314475 /nfs/dbraw/zinc/31/44/75/559314475.db2.gz QAWOBBZNYFNXHH-XFBWCDHKSA-N 1 2 357.426 2.320 20 30 FEEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000419628002 559450419 /nfs/dbraw/zinc/45/04/19/559450419.db2.gz YRMGGFMJZYNCFT-DNVCBOLYSA-N 1 2 356.470 2.298 20 30 FEEDLO C=CCC[C@H]1NC(=O)N(C[C@H](c2ccc(C)cc2)[NH+]2CCOCC2)C1=O ZINC000419954537 559466246 /nfs/dbraw/zinc/46/62/46/559466246.db2.gz REYIBUBXFYRKGX-QZTJIDSGSA-N 1 2 357.454 2.255 20 30 FEEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CC[C@@]23CCOC3)c1C#N ZINC000421011931 559519350 /nfs/dbraw/zinc/51/93/50/559519350.db2.gz DVMRBXZFKLABEG-FQEVSTJZSA-N 1 2 368.437 2.421 20 30 FEEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CC[C@@]23CCOC3)c1C#N ZINC000421011931 559519351 /nfs/dbraw/zinc/51/93/51/559519351.db2.gz DVMRBXZFKLABEG-FQEVSTJZSA-N 1 2 368.437 2.421 20 30 FEEDLO Cc1c(Cl)c(C[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)nn1C ZINC000421398660 559541191 /nfs/dbraw/zinc/54/11/91/559541191.db2.gz SQCUTYKPFPKXGG-OAHLLOKOSA-N 1 2 357.845 2.144 20 30 FEEDLO CN(C)c1[nH+]cccc1O[C@H]1CCN(C(=O)NCc2ccc(C#N)s2)C1 ZINC000422220213 559572158 /nfs/dbraw/zinc/57/21/58/559572158.db2.gz RUUSZIABYUAUQO-ZDUSSCGKSA-N 1 2 371.466 2.444 20 30 FEEDLO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NCCc1cn(C)c[nH+]1 ZINC000422472371 559590466 /nfs/dbraw/zinc/59/04/66/559590466.db2.gz CRFRLVOHXQNYBT-UHFFFAOYSA-N 1 2 366.874 2.009 20 30 FEEDLO C=CCCn1cc(C(=O)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)nn1 ZINC000424552955 559669116 /nfs/dbraw/zinc/66/91/16/559669116.db2.gz AZRPMBVJDSEURQ-UHFFFAOYSA-N 1 2 369.473 2.038 20 30 FEEDLO C=CCCn1cc(C(=O)N2CC[NH+](Cc3ccc(CC)s3)CC2)nn1 ZINC000424683856 559673606 /nfs/dbraw/zinc/67/36/06/559673606.db2.gz RAHMUTMNZMSQRV-UHFFFAOYSA-N 1 2 359.499 2.436 20 30 FEEDLO C=CCC1(C(=O)N2CC[C@@](C)([NH2+]CC(=O)OC(C)(C)C)C2)CCOCC1 ZINC000424843813 559678336 /nfs/dbraw/zinc/67/83/36/559678336.db2.gz VHRMVKPWCQHSML-LJQANCHMSA-N 1 2 366.502 2.282 20 30 FEEDLO COc1ccc([C@@H](CNc2cc(C)ncc2C#N)[NH+]2CCOCC2)cc1 ZINC000425198706 559690751 /nfs/dbraw/zinc/69/07/51/559690751.db2.gz FZXPECLCWOXWDM-HXUWFJFHSA-N 1 2 352.438 2.178 20 30 FEEDLO COC(=O)c1cnc([C@@H](C)[NH2+][C@@H]2CCN(c3ccc(C#N)cc3)C2=O)s1 ZINC000425478181 559704412 /nfs/dbraw/zinc/70/44/12/559704412.db2.gz CARQZWATHBYDJV-BXUZGUMPSA-N 1 2 370.434 2.257 20 30 FEEDLO C[C@@H]1CCC[N@H+](CC(=O)N(CCC#N)CCC#N)[C@@H]1C(=O)OC(C)(C)C ZINC000425524657 559707818 /nfs/dbraw/zinc/70/78/18/559707818.db2.gz RJPIILJJVJGKIQ-WBVHZDCISA-N 1 2 362.474 2.085 20 30 FEEDLO C[C@@H]1CCC[N@@H+](CC(=O)N(CCC#N)CCC#N)[C@@H]1C(=O)OC(C)(C)C ZINC000425524657 559707819 /nfs/dbraw/zinc/70/78/19/559707819.db2.gz RJPIILJJVJGKIQ-WBVHZDCISA-N 1 2 362.474 2.085 20 30 FEEDLO C=CCn1cc(CNC(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)nn1 ZINC000425563014 559709967 /nfs/dbraw/zinc/70/99/67/559709967.db2.gz HRVNXYHBCQNTSL-TWGQIWQCSA-N 1 2 366.469 2.005 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000425566474 559710075 /nfs/dbraw/zinc/71/00/75/559710075.db2.gz QIGBWUSYLLWVNT-UFYCRDLUSA-N 1 2 373.497 2.259 20 30 FEEDLO Cc1nc(C[N@@H+](C)[C@@H]2CCCN(C(=O)N[C@@H]3CC[C@H](C#N)C3)CC2)no1 ZINC000425610210 559711506 /nfs/dbraw/zinc/71/15/06/559711506.db2.gz LMNDVHHEKSBSNY-ARFHVFGLSA-N 1 2 360.462 2.066 20 30 FEEDLO Cc1nc(C[N@H+](C)[C@@H]2CCCN(C(=O)N[C@@H]3CC[C@H](C#N)C3)CC2)no1 ZINC000425610210 559711507 /nfs/dbraw/zinc/71/15/07/559711507.db2.gz LMNDVHHEKSBSNY-ARFHVFGLSA-N 1 2 360.462 2.066 20 30 FEEDLO C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCCC[C@@H]2C(=O)OC)c(OC)c1 ZINC000426846055 559742811 /nfs/dbraw/zinc/74/28/11/559742811.db2.gz REJABRVGASBJNE-DLBZAZTESA-N 1 2 363.454 2.191 20 30 FEEDLO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCCC[C@@H]2C(=O)OC)c(OC)c1 ZINC000426846055 559742812 /nfs/dbraw/zinc/74/28/12/559742812.db2.gz REJABRVGASBJNE-DLBZAZTESA-N 1 2 363.454 2.191 20 30 FEEDLO Cc1cc(NS(=O)(=O)c2ccc(C#N)c(F)c2)n(-c2cc[nH+]cc2)n1 ZINC000427763216 559761860 /nfs/dbraw/zinc/76/18/60/559761860.db2.gz JCJARRBRTMCJIL-UHFFFAOYSA-N 1 2 357.370 2.387 20 30 FEEDLO C[C@@H](c1ccccc1)[C@@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)C(N)=O ZINC000428858156 559784993 /nfs/dbraw/zinc/78/49/93/559784993.db2.gz VQBMHOQGMILQEY-SCLBCKFNSA-N 1 2 361.405 2.355 20 30 FEEDLO COc1cc[nH+]cc1CNS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000431604543 559842439 /nfs/dbraw/zinc/84/24/39/559842439.db2.gz OIHCEGFVCZXYDD-UHFFFAOYSA-N 1 2 371.340 2.459 20 30 FEEDLO CCN(C[C@@H](C)C#N)S(=O)(=O)N(C)[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000432279279 559855361 /nfs/dbraw/zinc/85/53/61/559855361.db2.gz CQYBMBUHXVIWDE-HOCLYGCPSA-N 1 2 361.471 2.157 20 30 FEEDLO C[C@H]1C[N@H+](C)[C@@H](C)CN1S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000433888739 559889855 /nfs/dbraw/zinc/88/98/55/559889855.db2.gz SUDFGXIFIVRIAE-QWRGUYRKSA-N 1 2 372.288 2.034 20 30 FEEDLO C[C@H]1C[N@@H+](C)[C@@H](C)CN1S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000433888739 559889856 /nfs/dbraw/zinc/88/98/56/559889856.db2.gz SUDFGXIFIVRIAE-QWRGUYRKSA-N 1 2 372.288 2.034 20 30 FEEDLO CCN(CC)c1ccc(CNS(=O)(=O)c2ccc(C#N)s2)c[nH+]1 ZINC000435439348 559923215 /nfs/dbraw/zinc/92/32/15/559923215.db2.gz ULXOSGBFTBDQJH-UHFFFAOYSA-N 1 2 350.469 2.339 20 30 FEEDLO COc1cc2c(cc1OC)C[N@H+](CCNC(=O)c1cc(C#N)oc1C)CC2 ZINC000435454120 559923508 /nfs/dbraw/zinc/92/35/08/559923508.db2.gz OXMDKMFHEOBPJJ-UHFFFAOYSA-N 1 2 369.421 2.265 20 30 FEEDLO COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)c1cc(C#N)oc1C)CC2 ZINC000435454120 559923509 /nfs/dbraw/zinc/92/35/09/559923509.db2.gz OXMDKMFHEOBPJJ-UHFFFAOYSA-N 1 2 369.421 2.265 20 30 FEEDLO Cc1oc(C#N)cc1C(=O)Nc1ccc2[nH]c(N3CCOCC3)[nH+]c2c1 ZINC000438239383 559976072 /nfs/dbraw/zinc/97/60/72/559976072.db2.gz WVHDSXKLFKYUJD-UHFFFAOYSA-N 1 2 351.366 2.425 20 30 FEEDLO CCC1CCC([NH2+]C[C@@H](O)COc2ccc(C#N)cc2)(C(=O)OC)CC1 ZINC000440917525 560019546 /nfs/dbraw/zinc/01/95/46/560019546.db2.gz WUPFPHXLNAIWRS-RYZJOYRSSA-N 1 2 360.454 2.400 20 30 FEEDLO C=CCSCCNC(=O)N1CC[C@](C)([NH2+]CC(=O)OC(C)(C)C)C1 ZINC000441095129 560023621 /nfs/dbraw/zinc/02/36/21/560023621.db2.gz ZSKHJDWHNUXIPM-KRWDZBQOSA-N 1 2 357.520 2.011 20 30 FEEDLO CC1(C)CCC[N@H+](CCNS(=O)(=O)c2c(F)cc(C#N)cc2F)C1 ZINC000443967757 560097852 /nfs/dbraw/zinc/09/78/52/560097852.db2.gz PLQAMHMUWUZKQT-UHFFFAOYSA-N 1 2 357.426 2.237 20 30 FEEDLO CC1(C)CCC[N@@H+](CCNS(=O)(=O)c2c(F)cc(C#N)cc2F)C1 ZINC000443967757 560097854 /nfs/dbraw/zinc/09/78/54/560097854.db2.gz PLQAMHMUWUZKQT-UHFFFAOYSA-N 1 2 357.426 2.237 20 30 FEEDLO CCOC(=O)c1cc(C[NH+]2CCN(c3cccc(C#N)n3)CC2)[nH]c1C ZINC000449244229 560221676 /nfs/dbraw/zinc/22/16/76/560221676.db2.gz QVDRLJLMUCEXQT-UHFFFAOYSA-N 1 2 353.426 2.089 20 30 FEEDLO Cc1ccc([C@@H](CNC(=O)c2cc(C#N)[nH]c2C)[NH+]2CCOCC2)s1 ZINC000450040815 560249071 /nfs/dbraw/zinc/24/90/71/560249071.db2.gz IOTBGMHRCDQPDB-MRXNPFEDSA-N 1 2 358.467 2.368 20 30 FEEDLO C[C@]1(F)CCC[N@H+](CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C1 ZINC000451113400 560287938 /nfs/dbraw/zinc/28/79/38/560287938.db2.gz JTMXIFDZGCGCFT-YJBOKZPZSA-N 1 2 364.490 2.281 20 30 FEEDLO C[C@]1(F)CCC[N@@H+](CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C1 ZINC000451113400 560287939 /nfs/dbraw/zinc/28/79/39/560287939.db2.gz JTMXIFDZGCGCFT-YJBOKZPZSA-N 1 2 364.490 2.281 20 30 FEEDLO CC[C@H]1C[N@H+](CCNC(=O)c2cccc(C#N)c2Br)CCO1 ZINC000451245829 560295538 /nfs/dbraw/zinc/29/55/38/560295538.db2.gz UOAPLRDULFLYNP-ZDUSSCGKSA-N 1 2 366.259 2.161 20 30 FEEDLO CC[C@H]1C[N@@H+](CCNC(=O)c2cccc(C#N)c2Br)CCO1 ZINC000451245829 560295539 /nfs/dbraw/zinc/29/55/39/560295539.db2.gz UOAPLRDULFLYNP-ZDUSSCGKSA-N 1 2 366.259 2.161 20 30 FEEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451395848 560304264 /nfs/dbraw/zinc/30/42/64/560304264.db2.gz XOGWFEPMGJZQFH-WMLDXEAASA-N 1 2 356.382 2.492 20 30 FEEDLO CCO[C@@H]1CC[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C[C@@H]1C ZINC000451545269 560313936 /nfs/dbraw/zinc/31/39/36/560313936.db2.gz QXCJJXOTSBVANK-MAUKXSAKSA-N 1 2 367.453 2.429 20 30 FEEDLO CCO[C@@H]1CC[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C[C@@H]1C ZINC000451545269 560313937 /nfs/dbraw/zinc/31/39/37/560313937.db2.gz QXCJJXOTSBVANK-MAUKXSAKSA-N 1 2 367.453 2.429 20 30 FEEDLO CCOc1cccc(C[N@H+](CCO)CC(=O)Nc2cccc(C#N)c2)c1 ZINC000452046306 560347629 /nfs/dbraw/zinc/34/76/29/560347629.db2.gz KPYOZLLKZBHSPT-UHFFFAOYSA-N 1 2 353.422 2.390 20 30 FEEDLO CCOc1cccc(C[N@@H+](CCO)CC(=O)Nc2cccc(C#N)c2)c1 ZINC000452046306 560347630 /nfs/dbraw/zinc/34/76/30/560347630.db2.gz KPYOZLLKZBHSPT-UHFFFAOYSA-N 1 2 353.422 2.390 20 30 FEEDLO CCN1CCN(C(=O)NCc2ccc(C#N)c(F)c2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000455546032 560486515 /nfs/dbraw/zinc/48/65/15/560486515.db2.gz QTXQYRBQFKWVRZ-MRXNPFEDSA-N 1 2 356.405 2.009 20 30 FEEDLO N#Cc1ncc(NC(=O)NCc2ccc(N3CCOCC3)[nH+]c2)cc1Cl ZINC000455749478 560493898 /nfs/dbraw/zinc/49/38/98/560493898.db2.gz FRVZZEAZNYYBJC-UHFFFAOYSA-N 1 2 372.816 2.160 20 30 FEEDLO CCN1CCN(C(=O)Nc2cnc(C#N)c(Cl)c2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000455761009 560494242 /nfs/dbraw/zinc/49/42/42/560494242.db2.gz NXZHGVIOCDMGJT-CQSZACIVSA-N 1 2 359.821 2.240 20 30 FEEDLO C[C@@H]1CN(C(=O)C(C)(C)Cc2ccc(C#N)cc2)C[C@@H]1[NH+]1CCOCC1 ZINC000455804142 560495226 /nfs/dbraw/zinc/49/52/26/560495226.db2.gz IZPVNCLHPZCIIW-APWZRJJASA-N 1 2 355.482 2.306 20 30 FEEDLO Cc1nc(C[N@@H+]2CCCN(C(=O)c3cc(C)c(C#N)cn3)CC2)cs1 ZINC000457547414 560573561 /nfs/dbraw/zinc/57/35/61/560573561.db2.gz VVVILXXJEDERTI-UHFFFAOYSA-N 1 2 355.467 2.375 20 30 FEEDLO Cc1nc(C[N@H+]2CCCN(C(=O)c3cc(C)c(C#N)cn3)CC2)cs1 ZINC000457547414 560573562 /nfs/dbraw/zinc/57/35/62/560573562.db2.gz VVVILXXJEDERTI-UHFFFAOYSA-N 1 2 355.467 2.375 20 30 FEEDLO Cc1cc(C(=O)N(C)C[C@@H]2OCC[N@H+](C)[C@H]2c2ccccc2)ncc1C#N ZINC000457789678 560587948 /nfs/dbraw/zinc/58/79/48/560587948.db2.gz LIQBMVKCUQNHOI-PMACEKPBSA-N 1 2 364.449 2.406 20 30 FEEDLO Cc1cc(C(=O)N(C)C[C@@H]2OCC[N@@H+](C)[C@H]2c2ccccc2)ncc1C#N ZINC000457789678 560587950 /nfs/dbraw/zinc/58/79/50/560587950.db2.gz LIQBMVKCUQNHOI-PMACEKPBSA-N 1 2 364.449 2.406 20 30 FEEDLO C=CCC[C@H](CO)NC(=O)NC[C@@H](c1ccc(C)s1)[NH+]1CCOCC1 ZINC000458480922 560625926 /nfs/dbraw/zinc/62/59/26/560625926.db2.gz BBVLCNNUCBRYQA-CVEARBPZSA-N 1 2 367.515 2.056 20 30 FEEDLO CC(C)(CCC#N)CNC(=O)N(CC[NH+]1CCOCC1)Cc1ccco1 ZINC000458766620 560647004 /nfs/dbraw/zinc/64/70/04/560647004.db2.gz NFCNKJDJTPYVKT-UHFFFAOYSA-N 1 2 362.474 2.453 20 30 FEEDLO CCOc1cc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@H]2C)ccc1O ZINC000459361049 560682175 /nfs/dbraw/zinc/68/21/75/560682175.db2.gz RVPXBFGSXOALSK-CQSZACIVSA-N 1 2 353.426 2.163 20 30 FEEDLO CCOc1cc(C[N@H+]2CCN(c3nccnc3C#N)C[C@H]2C)ccc1O ZINC000459361049 560682177 /nfs/dbraw/zinc/68/21/77/560682177.db2.gz RVPXBFGSXOALSK-CQSZACIVSA-N 1 2 353.426 2.163 20 30 FEEDLO CCCN(CC(=O)Nc1ccccc1C)C(=O)C[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000459460243 560687565 /nfs/dbraw/zinc/68/75/65/560687565.db2.gz JCMVRJVGWPJVMM-SJLPKXTDSA-N 1 2 356.470 2.454 20 30 FEEDLO Cc1nc(NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)cc[nH+]1 ZINC000462375243 560807820 /nfs/dbraw/zinc/80/78/20/560807820.db2.gz KGZAMFWVNTZETD-UHFFFAOYSA-N 1 2 351.389 2.608 20 30 FEEDLO COc1cc(CNC(=O)N[C@@H]2CCO[C@@H](c3c[nH+]cn3C)C2)ccc1C#N ZINC000462473140 560811509 /nfs/dbraw/zinc/81/15/09/560811509.db2.gz NHFCBVLHBLHAFZ-CRAIPNDOSA-N 1 2 369.425 2.020 20 30 FEEDLO CCCN1C(=O)CC[C@@H](C(=O)N[C@@H](C#N)C(C)(C)C)[C@@H]1c1c[nH+]cn1C ZINC000464714520 560848928 /nfs/dbraw/zinc/84/89/28/560848928.db2.gz URJNZPGJSCWZOZ-UKPHBRMFSA-N 1 2 359.474 2.164 20 30 FEEDLO C[C@@H](C(=O)NC1(C#N)CCC1)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000468981068 560943857 /nfs/dbraw/zinc/94/38/57/560943857.db2.gz PHDBHAYTJDUTNA-HNNXBMFYSA-N 1 2 360.889 2.409 20 30 FEEDLO C[C@@H](CNC(=O)c1cn(CCCC#N)c2ccccc12)[NH+]1CCN(C)CC1 ZINC000469137872 560948121 /nfs/dbraw/zinc/94/81/21/560948121.db2.gz YWXUHYPTLRHGNR-KRWDZBQOSA-N 1 2 367.497 2.311 20 30 FEEDLO CCOC(=O)[C@H]1C[N@@H+]([C@@H](C)C(=O)NC2(C#N)CCC2)Cc2ccccc21 ZINC000469732128 560963034 /nfs/dbraw/zinc/96/30/34/560963034.db2.gz YXGAERZVRXWMPR-YOEHRIQHSA-N 1 2 355.438 2.100 20 30 FEEDLO CCOC(=O)[C@H]1C[N@H+]([C@@H](C)C(=O)NC2(C#N)CCC2)Cc2ccccc21 ZINC000469732128 560963035 /nfs/dbraw/zinc/96/30/35/560963035.db2.gz YXGAERZVRXWMPR-YOEHRIQHSA-N 1 2 355.438 2.100 20 30 FEEDLO CCOC(=O)c1coc(C[N@@H+]2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)c1 ZINC000474396405 561073220 /nfs/dbraw/zinc/07/32/20/561073220.db2.gz XMQPHNABTUOVAO-VBKZILBWSA-N 1 2 365.389 2.302 20 30 FEEDLO CCOC(=O)c1coc(C[N@H+]2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)c1 ZINC000474396405 561073221 /nfs/dbraw/zinc/07/32/21/561073221.db2.gz XMQPHNABTUOVAO-VBKZILBWSA-N 1 2 365.389 2.302 20 30 FEEDLO CCOC[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)CCO1 ZINC000528723578 562343933 /nfs/dbraw/zinc/34/39/33/562343933.db2.gz QUZKMNGXFUBLQA-VIHIWDAPSA-N 1 2 351.491 2.043 20 30 FEEDLO CCOC[C@@H]1C[N@H+]([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)CCO1 ZINC000528723578 562343934 /nfs/dbraw/zinc/34/39/34/562343934.db2.gz QUZKMNGXFUBLQA-VIHIWDAPSA-N 1 2 351.491 2.043 20 30 FEEDLO Cc1cnc(N2CC[NH+]([C@@H](C)C(=O)Nc3cccc(C#N)c3)CC2)s1 ZINC000533058899 562497148 /nfs/dbraw/zinc/49/71/48/562497148.db2.gz UBEFYOXEOYSTNM-AWEZNQCLSA-N 1 2 355.467 2.472 20 30 FEEDLO C=C1CC[NH+](CC(=O)Nc2ccc(S(=O)(=O)N(CC)CC)cc2)CC1 ZINC000533281254 562503767 /nfs/dbraw/zinc/50/37/67/562503767.db2.gz NOZAOZMJWNSXTE-UHFFFAOYSA-N 1 2 365.499 2.308 20 30 FEEDLO C=C[C@H](CC(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1)c1ccccc1 ZINC000533946642 562522072 /nfs/dbraw/zinc/52/20/72/562522072.db2.gz IUSUAGUWBXVAAW-GOSISDBHSA-N 1 2 369.509 2.407 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CCN3C(=O)CC[C@@H]3C2)c1 ZINC000535033975 562548846 /nfs/dbraw/zinc/54/88/46/562548846.db2.gz FZUVRJHECUVQNO-QZTJIDSGSA-N 1 2 368.481 2.245 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CCN3C(=O)CC[C@@H]3C2)c1 ZINC000535033975 562548847 /nfs/dbraw/zinc/54/88/47/562548847.db2.gz FZUVRJHECUVQNO-QZTJIDSGSA-N 1 2 368.481 2.245 20 30 FEEDLO C=C(C)Cn1c(C(C)C)nnc1N1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC000549734818 562638831 /nfs/dbraw/zinc/63/88/31/562638831.db2.gz VPAJYBPVVYALRR-UHFFFAOYSA-N 1 2 374.533 2.112 20 30 FEEDLO C=C(C)C[C@@H](NC(=O)CSCc1cn2cc(C)ccc2[nH+]1)C(=O)OC ZINC000601777653 567838837 /nfs/dbraw/zinc/83/88/37/567838837.db2.gz JEDBRGZKSCPKJV-OAHLLOKOSA-N 1 2 361.467 2.500 20 30 FEEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+](C)[C@H]1CCCCN(C)C1=O ZINC000601968381 567889867 /nfs/dbraw/zinc/88/98/67/567889867.db2.gz FHZAKOAFFWFYEZ-YJBOKZPZSA-N 1 2 374.460 2.404 20 30 FEEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+](C)[C@H]1CCCCN(C)C1=O ZINC000601968381 567889869 /nfs/dbraw/zinc/88/98/69/567889869.db2.gz FHZAKOAFFWFYEZ-YJBOKZPZSA-N 1 2 374.460 2.404 20 30 FEEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+](C)[C@@H]2CCCCN(C)C2=O)c1C ZINC000601969248 567890124 /nfs/dbraw/zinc/89/01/24/567890124.db2.gz KLVZYERBCOKOBC-LJQANCHMSA-N 1 2 370.497 2.493 20 30 FEEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+](C)[C@@H]2CCCCN(C)C2=O)c1C ZINC000601969248 567890125 /nfs/dbraw/zinc/89/01/25/567890125.db2.gz KLVZYERBCOKOBC-LJQANCHMSA-N 1 2 370.497 2.493 20 30 FEEDLO C[C@H](CCC#N)C[NH+]1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 ZINC000602436249 567977238 /nfs/dbraw/zinc/97/72/38/567977238.db2.gz LRILPFJZEHAMLY-CYBMUJFWSA-N 1 2 357.426 2.211 20 30 FEEDLO N#CCC[N@@H+](Cc1ccc(S(N)(=O)=O)c(Br)c1)CC1CC1 ZINC000602464981 567983148 /nfs/dbraw/zinc/98/31/48/567983148.db2.gz JAIZHLQEPUMCRR-UHFFFAOYSA-N 1 2 372.288 2.222 20 30 FEEDLO N#CCC[N@H+](Cc1ccc(S(N)(=O)=O)c(Br)c1)CC1CC1 ZINC000602464981 567983149 /nfs/dbraw/zinc/98/31/49/567983149.db2.gz JAIZHLQEPUMCRR-UHFFFAOYSA-N 1 2 372.288 2.222 20 30 FEEDLO C[C@@H]1C[N@@H+](CC(=O)N(C)Cc2c(F)cccc2Cl)C[C@H](C)N1CC#N ZINC000602854556 568002025 /nfs/dbraw/zinc/00/20/25/568002025.db2.gz BUFROVIKVSHSJB-OKILXGFUSA-N 1 2 366.868 2.356 20 30 FEEDLO C[C@@H]1C[N@H+](CC(=O)N(C)Cc2c(F)cccc2Cl)C[C@H](C)N1CC#N ZINC000602854556 568002026 /nfs/dbraw/zinc/00/20/26/568002026.db2.gz BUFROVIKVSHSJB-OKILXGFUSA-N 1 2 366.868 2.356 20 30 FEEDLO COC(=O)c1ccc(C)c(NC(=O)[C@@H](C)[N@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)c1 ZINC000602857124 568002570 /nfs/dbraw/zinc/00/25/70/568002570.db2.gz PHRSNEQMARAPGB-OWCLPIDISA-N 1 2 372.469 2.027 20 30 FEEDLO COC(=O)c1ccc(C)c(NC(=O)[C@@H](C)[N@@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)c1 ZINC000602857124 568002571 /nfs/dbraw/zinc/00/25/71/568002571.db2.gz PHRSNEQMARAPGB-OWCLPIDISA-N 1 2 372.469 2.027 20 30 FEEDLO COc1ccc([C@H](NC(=O)C[NH+]2C[C@@H](C)N(CC#N)[C@H](C)C2)C2CC2)cc1 ZINC000602859412 568003227 /nfs/dbraw/zinc/00/32/27/568003227.db2.gz YDNDBBODBHLWIT-WHSLLNHNSA-N 1 2 370.497 2.181 20 30 FEEDLO CCN(Cc1ccc2c(c1)OCCO2)C(=O)C[N@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602975364 568035860 /nfs/dbraw/zinc/03/58/60/568035860.db2.gz ABAXIMIMIRKMSP-IAGOWNOFSA-N 1 2 357.454 2.430 20 30 FEEDLO CCN(Cc1ccc2c(c1)OCCO2)C(=O)C[N@@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602975364 568035862 /nfs/dbraw/zinc/03/58/62/568035862.db2.gz ABAXIMIMIRKMSP-IAGOWNOFSA-N 1 2 357.454 2.430 20 30 FEEDLO CCCOc1cccc(CNC(=O)C[NH+]2C[C@H](C)N(CC#N)[C@@H](C)C2)c1 ZINC000602862389 568049874 /nfs/dbraw/zinc/04/98/74/568049874.db2.gz NPYAAJHXMCNTGE-IRXDYDNUSA-N 1 2 358.486 2.010 20 30 FEEDLO C[C@H]1CN(Cc2c[nH+]c3ccc(C#N)cn23)CCN1C(=O)c1cscn1 ZINC000568721567 568160685 /nfs/dbraw/zinc/16/06/85/568160685.db2.gz JYYXGQZRDUJKSF-ZDUSSCGKSA-N 1 2 366.450 2.009 20 30 FEEDLO Cc1cccc([C@H]2C(=O)NCC[N@H+]2CCC(=O)Nc2ccc(C#N)cc2)c1 ZINC000568880919 568244132 /nfs/dbraw/zinc/24/41/32/568244132.db2.gz OAAVOGJXEYEPOJ-FQEVSTJZSA-N 1 2 362.433 2.368 20 30 FEEDLO Cc1cccc([C@H]2C(=O)NCC[N@@H+]2CCC(=O)Nc2ccc(C#N)cc2)c1 ZINC000568880919 568244133 /nfs/dbraw/zinc/24/41/33/568244133.db2.gz OAAVOGJXEYEPOJ-FQEVSTJZSA-N 1 2 362.433 2.368 20 30 FEEDLO C[C@H]1C[C@H]1c1ccc(CCC(=O)N(CCC#N)CC[NH+]2CCOCC2)o1 ZINC000604538446 568309172 /nfs/dbraw/zinc/30/91/72/568309172.db2.gz NFQVNEADIBCPEK-FUHWJXTLSA-N 1 2 359.470 2.410 20 30 FEEDLO COc1cccc2c1cc[nH+]c2N1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC000569314972 568372511 /nfs/dbraw/zinc/37/25/11/568372511.db2.gz FEYUJKDXDXVKNT-UHFFFAOYSA-N 1 2 362.437 2.484 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)nc1 ZINC000569768388 568422891 /nfs/dbraw/zinc/42/28/91/568422891.db2.gz BXBXNCYABQSVNX-UHFFFAOYSA-N 1 2 374.441 2.035 20 30 FEEDLO C#CCCS(=O)(=O)N1CC[N@@H+](Cc2ccc(C)nc2)C[C@H]1[C@H](C)CC ZINC000808302133 674451015 /nfs/dbraw/zinc/45/10/15/674451015.db2.gz CVSFXVVPVAKGIH-APWZRJJASA-N 1 2 363.527 2.275 20 30 FEEDLO C#CCCS(=O)(=O)N1CC[N@H+](Cc2ccc(C)nc2)C[C@H]1[C@H](C)CC ZINC000808302133 674451017 /nfs/dbraw/zinc/45/10/17/674451017.db2.gz CVSFXVVPVAKGIH-APWZRJJASA-N 1 2 363.527 2.275 20 30 FEEDLO C[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000821613529 599558963 /nfs/dbraw/zinc/55/89/63/599558963.db2.gz RDISWOVZDXUZKF-UHFFFAOYSA-N 1 2 372.392 2.420 20 30 FEEDLO C[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000821613529 599558965 /nfs/dbraw/zinc/55/89/65/599558965.db2.gz RDISWOVZDXUZKF-UHFFFAOYSA-N 1 2 372.392 2.420 20 30 FEEDLO N#Cc1cccc([C@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)C(=O)[O-])c1 ZINC000833074721 601298969 /nfs/dbraw/zinc/29/89/69/601298969.db2.gz DVBZZPOJPSPUTI-FQEVSTJZSA-N 1 2 365.433 2.306 20 30 FEEDLO Cn1cc(C[N@@H+]2CCC[C@@](C)(C#N)C2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826360699 608126249 /nfs/dbraw/zinc/12/62/49/608126249.db2.gz UUDAPFJIIQCDOH-IBGZPJMESA-N 1 2 362.441 2.393 20 30 FEEDLO Cn1cc(C[N@H+]2CCC[C@@](C)(C#N)C2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826360699 608126250 /nfs/dbraw/zinc/12/62/50/608126250.db2.gz UUDAPFJIIQCDOH-IBGZPJMESA-N 1 2 362.441 2.393 20 30 FEEDLO N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CCO[C@]4(CCSC4)C3)C2=O)cc1 ZINC000563067751 674843231 /nfs/dbraw/zinc/84/32/31/674843231.db2.gz IXURAMRCWYAIOZ-IEBWSBKVSA-N 1 2 357.479 2.262 20 30 FEEDLO N#Cc1ccc(N2CCC[C@@H]([N@H+]3CCO[C@]4(CCSC4)C3)C2=O)cc1 ZINC000563067751 674843235 /nfs/dbraw/zinc/84/32/35/674843235.db2.gz IXURAMRCWYAIOZ-IEBWSBKVSA-N 1 2 357.479 2.262 20 30 FEEDLO CS(=O)(=O)c1ccc(OCCCO[NH+]=C(N)Cc2ccccc2)cc1 ZINC000063283454 670406377 /nfs/dbraw/zinc/40/63/77/670406377.db2.gz QYMLDPNEQFKJET-UHFFFAOYSA-N 1 2 362.451 2.391 20 30 FEEDLO NC(=[NH+]OCCCS(=O)(=O)c1ccc(F)cc1)c1ccc(F)cc1 ZINC000063455342 670407122 /nfs/dbraw/zinc/40/71/22/670407122.db2.gz VUPFIBIIFDBAFO-UHFFFAOYSA-N 1 2 354.378 2.466 20 30 FEEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1ccc(NC(=O)CC(F)(F)F)cc1 ZINC000566127822 675184283 /nfs/dbraw/zinc/18/42/83/675184283.db2.gz FJDWDHIUBXNSEJ-AWEZNQCLSA-N 1 2 358.364 2.196 20 30 FEEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1ccc(NC(=O)CC(F)(F)F)cc1 ZINC000566127822 675184284 /nfs/dbraw/zinc/18/42/84/675184284.db2.gz FJDWDHIUBXNSEJ-AWEZNQCLSA-N 1 2 358.364 2.196 20 30 FEEDLO C=CCCCC[NH+]1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1 ZINC000578723682 671685534 /nfs/dbraw/zinc/68/55/34/671685534.db2.gz NQTQSMRFTFVZNA-UHFFFAOYSA-N 1 2 368.499 2.366 20 30 FEEDLO NC(=NOCc1ccc(Cl)cn1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000120324320 671922655 /nfs/dbraw/zinc/92/26/55/671922655.db2.gz NOBJNYHHSNPCQC-KRWDZBQOSA-N 1 2 360.845 2.425 20 30 FEEDLO NC(=NOCc1ccc(Cl)cn1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000120324320 671922660 /nfs/dbraw/zinc/92/26/60/671922660.db2.gz NOBJNYHHSNPCQC-KRWDZBQOSA-N 1 2 360.845 2.425 20 30 FEEDLO C#CCSCCNC(=O)N1CC[NH+](Cc2ccc(OCC)cc2)CC1 ZINC000172400159 672341505 /nfs/dbraw/zinc/34/15/05/672341505.db2.gz LHTJKTJMEFCKIN-UHFFFAOYSA-N 1 2 361.511 2.279 20 30 FEEDLO CN(C)c1ccc([NH+]2CCC(NS(=O)(=O)CCCCC#N)CC2)cc1 ZINC000173572085 672353121 /nfs/dbraw/zinc/35/31/21/672353121.db2.gz OCCYZRURHBGDQN-UHFFFAOYSA-N 1 2 364.515 2.335 20 30 FEEDLO N#Cc1cc(CN2CC[NH+]([C@H](CO)c3ccc(Cl)cc3)CC2)ccn1 ZINC000610992714 676009486 /nfs/dbraw/zinc/00/94/86/676009486.db2.gz DKBITXNAZCYODY-LJQANCHMSA-N 1 2 356.857 2.458 20 30 FEEDLO N#Cc1cc(Cl)ccc1S(=O)(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000611018867 676011273 /nfs/dbraw/zinc/01/12/73/676011273.db2.gz ZCNTYUIQAKNAAC-CQSZACIVSA-N 1 2 350.831 2.434 20 30 FEEDLO N#Cc1ccc(CS(=O)(=O)NCc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000588890868 672488725 /nfs/dbraw/zinc/48/87/25/672488725.db2.gz FJXQGANFXWQPDS-UHFFFAOYSA-N 1 2 352.419 2.364 20 30 FEEDLO N#Cc1ccc(N2CCN(c3nc[nH+]c4c3OCCN4)CC2)c(Cl)c1 ZINC000591159131 672655434 /nfs/dbraw/zinc/65/54/34/672655434.db2.gz HMSMLLBTASHOCI-UHFFFAOYSA-N 1 2 356.817 2.133 20 30 FEEDLO N#CC[C@]1(O)CC[N@@H+]([C@H]2CCN(c3ccccc3C(F)(F)F)C2=O)C1 ZINC000592151790 672764822 /nfs/dbraw/zinc/76/48/22/672764822.db2.gz PVDOKAODFKDSGN-HOCLYGCPSA-N 1 2 353.344 2.161 20 30 FEEDLO N#CC[C@]1(O)CC[N@H+]([C@H]2CCN(c3ccccc3C(F)(F)F)C2=O)C1 ZINC000592151790 672764825 /nfs/dbraw/zinc/76/48/25/672764825.db2.gz PVDOKAODFKDSGN-HOCLYGCPSA-N 1 2 353.344 2.161 20 30 FEEDLO C[C@@H]1[C@H](C)SCC[N@@H+]1CN1C(=O)N[C@@](C)(c2cccc(C#N)c2)C1=O ZINC000246288189 672834271 /nfs/dbraw/zinc/83/42/71/672834271.db2.gz CWJQTVFQQRLECN-VBHSOAQHSA-N 1 2 358.467 2.109 20 30 FEEDLO C[C@@H]1[C@H](C)SCC[N@H+]1CN1C(=O)N[C@@](C)(c2cccc(C#N)c2)C1=O ZINC000246288189 672834275 /nfs/dbraw/zinc/83/42/75/672834275.db2.gz CWJQTVFQQRLECN-VBHSOAQHSA-N 1 2 358.467 2.109 20 30 FEEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC(=C)C)CC1 ZINC000283285779 672972152 /nfs/dbraw/zinc/97/21/52/672972152.db2.gz NXTPCVWJGYJBFD-UHFFFAOYSA-N 1 2 356.861 2.325 20 30 FEEDLO Cc1csc(N2CCN(C(=O)NCc3cn4c([nH+]3)CCCC4)CC2)n1 ZINC000328837177 673067539 /nfs/dbraw/zinc/06/75/39/673067539.db2.gz MZSALLQPWTUHPE-UHFFFAOYSA-N 1 2 360.487 2.221 20 30 FEEDLO CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000328862764 673068556 /nfs/dbraw/zinc/06/85/56/673068556.db2.gz ZRLBDIGTXWSBRE-UONOGXRCSA-N 1 2 357.520 2.001 20 30 FEEDLO S=C(NCCc1ccccn1)NN=C1CC[N@H+](Cc2ccccc2)C1 ZINC000726424187 673121202 /nfs/dbraw/zinc/12/12/02/673121202.db2.gz WGBSQNUVWGXEDV-UHFFFAOYSA-N 1 2 353.495 2.350 20 30 FEEDLO S=C(NCCc1ccccn1)NN=C1CC[N@@H+](Cc2ccccc2)C1 ZINC000726424187 673121204 /nfs/dbraw/zinc/12/12/04/673121204.db2.gz WGBSQNUVWGXEDV-UHFFFAOYSA-N 1 2 353.495 2.350 20 30 FEEDLO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1CCn2c[nH+]cc2C1 ZINC000594776074 673138556 /nfs/dbraw/zinc/13/85/56/673138556.db2.gz PRFHWFSWRFBPCS-UHFFFAOYSA-N 1 2 358.448 2.482 20 30 FEEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CCC[C@@H](c3ccncn3)C2)C1=O ZINC000370235049 673149395 /nfs/dbraw/zinc/14/93/95/673149395.db2.gz CJSXWVKFHIHBSL-ZBFHGGJFSA-N 1 2 353.451 2.395 20 30 FEEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CCC[C@@H](c3ccncn3)C2)C1=O ZINC000370235049 673149399 /nfs/dbraw/zinc/14/93/99/673149399.db2.gz CJSXWVKFHIHBSL-ZBFHGGJFSA-N 1 2 353.451 2.395 20 30 FEEDLO N#Cc1cc(F)ccc1S(=O)(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000595393963 673241217 /nfs/dbraw/zinc/24/12/17/673241217.db2.gz UIARKGLAVBCPTQ-QGZVFWFLSA-N 1 2 359.426 2.250 20 30 FEEDLO N#Cc1cc(F)ccc1S(=O)(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000595393963 673241218 /nfs/dbraw/zinc/24/12/18/673241218.db2.gz UIARKGLAVBCPTQ-QGZVFWFLSA-N 1 2 359.426 2.250 20 30 FEEDLO CS(=O)(=O)c1ccccc1N[NH+]=Cc1ccc(N2CCOCC2)cc1 ZINC000731935622 673348767 /nfs/dbraw/zinc/34/87/67/673348767.db2.gz JBNSNWXUNUMWMK-UHFFFAOYSA-N 1 2 359.451 2.373 20 30 FEEDLO C=C[C@@](C)(O)C(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000613479000 676130978 /nfs/dbraw/zinc/13/09/78/676130978.db2.gz DQBRDVJHGNCWLK-OAHLLOKOSA-N 1 2 352.232 2.001 20 30 FEEDLO C#CCC[NH+]1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1 ZINC000733313947 673408745 /nfs/dbraw/zinc/40/87/45/673408745.db2.gz FZWZUGLNIMTMKN-UHFFFAOYSA-N 1 2 361.294 2.464 20 30 FEEDLO CCOC(=O)c1sc([C@H](C)[NH2+]CC(=O)N(CC)C[C@H](C)C#N)nc1C ZINC000542610155 673592989 /nfs/dbraw/zinc/59/29/89/673592989.db2.gz CENWRRHWYNJEOY-YPMHNXCESA-N 1 2 366.487 2.287 20 30 FEEDLO COc1ccc(C[N@@H+]2CC[C@H]2CNS(=O)(=O)CC(C)(C)CC#N)cc1 ZINC000599409205 673671411 /nfs/dbraw/zinc/67/14/11/673671411.db2.gz ICNDVCCPQFBOQU-INIZCTEOSA-N 1 2 365.499 2.129 20 30 FEEDLO COc1ccc(C[N@H+]2CC[C@H]2CNS(=O)(=O)CC(C)(C)CC#N)cc1 ZINC000599409205 673671414 /nfs/dbraw/zinc/67/14/14/673671414.db2.gz ICNDVCCPQFBOQU-INIZCTEOSA-N 1 2 365.499 2.129 20 30 FEEDLO C[C@@H](NS(=O)(=O)CC1(C#N)CCCC1)C1([NH+]2CCOCC2)CCCC1 ZINC000545356638 673762442 /nfs/dbraw/zinc/76/24/42/673762442.db2.gz IQSVOFFQCQTSKM-MRXNPFEDSA-N 1 2 369.531 2.023 20 30 FEEDLO C[N@@H+]1CCN(S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CC1(C)C ZINC000603374336 673927230 /nfs/dbraw/zinc/92/72/30/673927230.db2.gz KRVSGEUQLIUKCJ-UHFFFAOYSA-N 1 2 361.389 2.292 20 30 FEEDLO C[N@H+]1CCN(S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CC1(C)C ZINC000603374336 673927232 /nfs/dbraw/zinc/92/72/32/673927232.db2.gz KRVSGEUQLIUKCJ-UHFFFAOYSA-N 1 2 361.389 2.292 20 30 FEEDLO C=CCn1cc(C[NH2+]CCS(=O)(=O)c2ccc(C(C)(C)C)cc2)nn1 ZINC000566850995 675247740 /nfs/dbraw/zinc/24/77/40/675247740.db2.gz GTYLEQUZXFPXNV-UHFFFAOYSA-N 1 2 362.499 2.325 20 30 FEEDLO N#C[C@@]1(F)CCN(C(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)C1 ZINC000615610461 676221579 /nfs/dbraw/zinc/22/15/79/676221579.db2.gz LZHREUWJPBCDKU-KRWDZBQOSA-N 1 2 350.825 2.345 20 30 FEEDLO N#C[C@@]1(F)CCN(C(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)C1 ZINC000615610461 676221581 /nfs/dbraw/zinc/22/15/81/676221581.db2.gz LZHREUWJPBCDKU-KRWDZBQOSA-N 1 2 350.825 2.345 20 30 FEEDLO CC1CC[NH+](Cc2csc(NC(=O)CN3CC[C@@](F)(C#N)C3)n2)CC1 ZINC000615639013 676222734 /nfs/dbraw/zinc/22/27/34/676222734.db2.gz KMWZNNLTQGYNKL-QGZVFWFLSA-N 1 2 365.478 2.251 20 30 FEEDLO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCO[C@@H](CCF)C2)c(OC)c1 ZINC000625999865 676682895 /nfs/dbraw/zinc/68/28/95/676682895.db2.gz DYAUHVMRULMKCD-IRXDYDNUSA-N 1 2 353.434 2.224 20 30 FEEDLO C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCO[C@@H](CCF)C2)c(OC)c1 ZINC000625999865 676682896 /nfs/dbraw/zinc/68/28/96/676682896.db2.gz DYAUHVMRULMKCD-IRXDYDNUSA-N 1 2 353.434 2.224 20 30 FEEDLO C=CCOc1c(Cl)cc(C[N@@H+]2CCN3CCOC[C@H]3C2)cc1OC ZINC000628238027 676795264 /nfs/dbraw/zinc/79/52/64/676795264.db2.gz IMKSYPLRKISJIH-OAHLLOKOSA-N 1 2 352.862 2.430 20 30 FEEDLO C=CCOc1c(Cl)cc(C[N@H+]2CCN3CCOC[C@H]3C2)cc1OC ZINC000628238027 676795266 /nfs/dbraw/zinc/79/52/66/676795266.db2.gz IMKSYPLRKISJIH-OAHLLOKOSA-N 1 2 352.862 2.430 20 30 FEEDLO C[C@](C#N)(NC(=O)C[NH+]1CCC(Oc2ccc(Cl)cn2)CC1)C1CC1 ZINC000839201775 680744537 /nfs/dbraw/zinc/74/45/37/680744537.db2.gz ZIJVSGIXQBFMPT-GOSISDBHSA-N 1 2 362.861 2.387 20 30 FEEDLO C#CCNC(=O)C1CC[NH+]([C@H](C)C(=O)Nc2ccc(F)cc2Cl)CC1 ZINC000747823950 679905136 /nfs/dbraw/zinc/90/51/36/679905136.db2.gz IEHMYELRIFFEFB-GFCCVEGCSA-N 1 2 365.836 2.268 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@]12CCC[C@H]1[N@H+](Cc1cnns1)CC2 ZINC000990745052 680071454 /nfs/dbraw/zinc/07/14/54/680071454.db2.gz XBEQJOFUVQQFHM-HPFXQQBRSA-N 1 2 362.499 2.133 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@]12CCC[C@H]1[N@@H+](Cc1cnns1)CC2 ZINC000990745052 680071457 /nfs/dbraw/zinc/07/14/57/680071457.db2.gz XBEQJOFUVQQFHM-HPFXQQBRSA-N 1 2 362.499 2.133 20 30 FEEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)C2CC2)C1 ZINC000993608068 680172475 /nfs/dbraw/zinc/17/24/75/680172475.db2.gz TVFXIWMGTRADIM-ZIAGYGMSSA-N 1 2 364.877 2.019 20 30 FEEDLO C#CCCSc1nc2ccsc2c(=O)n1CCC[NH+]1CCOCC1 ZINC000751776013 680199286 /nfs/dbraw/zinc/19/92/86/680199286.db2.gz VFIUVMYBBHVDNB-UHFFFAOYSA-N 1 2 363.508 2.296 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]([N@@H+](C)Cc2csnc2OC)C1 ZINC001027585967 680360448 /nfs/dbraw/zinc/36/04/48/680360448.db2.gz UBLKGCMFMHOCID-XHSDSOJGSA-N 1 2 365.499 2.166 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]([N@H+](C)Cc2csnc2OC)C1 ZINC001027585967 680360453 /nfs/dbraw/zinc/36/04/53/680360453.db2.gz UBLKGCMFMHOCID-XHSDSOJGSA-N 1 2 365.499 2.166 20 30 FEEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCO[C@H]1c1nccn1C ZINC001027941224 680365061 /nfs/dbraw/zinc/36/50/61/680365061.db2.gz FFSQPZPLSVXVKE-ARFHVFGLSA-N 1 2 366.893 2.221 20 30 FEEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCO[C@H]1c1nccn1C ZINC001027941224 680365064 /nfs/dbraw/zinc/36/50/64/680365064.db2.gz FFSQPZPLSVXVKE-ARFHVFGLSA-N 1 2 366.893 2.221 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)Cc2nnc(C)s2)C1 ZINC001029739640 680390434 /nfs/dbraw/zinc/39/04/34/680390434.db2.gz RRRAETUMTZAQGR-XHSDSOJGSA-N 1 2 364.515 2.108 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H](C[N@H+](C)Cc2nnc(C)s2)C1 ZINC001029739640 680390435 /nfs/dbraw/zinc/39/04/35/680390435.db2.gz RRRAETUMTZAQGR-XHSDSOJGSA-N 1 2 364.515 2.108 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](CC(=C)Br)C1 ZINC001033093665 680417136 /nfs/dbraw/zinc/41/71/36/680417136.db2.gz VPNYEXPCCUIOLV-ZNMIVQPWSA-N 1 2 357.292 2.409 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](CC(=C)Br)C1 ZINC001033093665 680417140 /nfs/dbraw/zinc/41/71/40/680417140.db2.gz VPNYEXPCCUIOLV-ZNMIVQPWSA-N 1 2 357.292 2.409 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CC[NH+](Cc2csnc2OC)CC1 ZINC001003788355 680542040 /nfs/dbraw/zinc/54/20/40/680542040.db2.gz NNFJYEJLYFRVOG-HOTGVXAUSA-N 1 2 365.499 2.214 20 30 FEEDLO CCN(C[C@@H]1CC[N@H+](Cn2ccc(C)c(C#N)c2=O)C1)CC(F)(F)F ZINC000758231379 680564013 /nfs/dbraw/zinc/56/40/13/680564013.db2.gz OCDIMQGCBXEYLB-AWEZNQCLSA-N 1 2 356.392 2.192 20 30 FEEDLO CCN(C[C@@H]1CC[N@@H+](Cn2ccc(C)c(C#N)c2=O)C1)CC(F)(F)F ZINC000758231379 680564016 /nfs/dbraw/zinc/56/40/16/680564016.db2.gz OCDIMQGCBXEYLB-AWEZNQCLSA-N 1 2 356.392 2.192 20 30 FEEDLO C#CC[C@H]1CCC[N@@H+](Cn2nc(C(=O)OC)c(Br)c2C)C1 ZINC000842629879 680955844 /nfs/dbraw/zinc/95/58/44/680955844.db2.gz SNIWPVYVSHFZGV-LBPRGKRZSA-N 1 2 354.248 2.433 20 30 FEEDLO C#CC[C@H]1CCC[N@H+](Cn2nc(C(=O)OC)c(Br)c2C)C1 ZINC000842629879 680955846 /nfs/dbraw/zinc/95/58/46/680955846.db2.gz SNIWPVYVSHFZGV-LBPRGKRZSA-N 1 2 354.248 2.433 20 30 FEEDLO CCC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](Nc2nc(C#N)c(Cl)s2)C1 ZINC001052711217 681083328 /nfs/dbraw/zinc/08/33/28/681083328.db2.gz MACUMIITRARYFN-MWLCHTKSSA-N 1 2 364.862 2.218 20 30 FEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1CCCO[C@H]1C(C)C)O2 ZINC001053603494 681100994 /nfs/dbraw/zinc/10/09/94/681100994.db2.gz RDVZNQOMPAEBEN-SQNIBIBYSA-N 1 2 350.503 2.363 20 30 FEEDLO C#C[C@@H](C)NC(=O)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000773600652 681149590 /nfs/dbraw/zinc/14/95/90/681149590.db2.gz JFKLJJUJBXQPIU-CYBMUJFWSA-N 1 2 355.360 2.434 20 30 FEEDLO C[N@H+](CC(=O)[C@@H](C#N)C(=O)Nc1ccccc1Cl)[C@H]1CCSC1 ZINC000773979583 681163183 /nfs/dbraw/zinc/16/31/83/681163183.db2.gz INYMRHLEAKWJBI-NWDGAFQWSA-N 1 2 351.859 2.425 20 30 FEEDLO C[N@@H+](CC(=O)[C@@H](C#N)C(=O)Nc1ccccc1Cl)[C@H]1CCSC1 ZINC000773979583 681163185 /nfs/dbraw/zinc/16/31/85/681163185.db2.gz INYMRHLEAKWJBI-NWDGAFQWSA-N 1 2 351.859 2.425 20 30 FEEDLO CN(C)C(=O)C[NH+]1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932939468 681331444 /nfs/dbraw/zinc/33/14/44/681331444.db2.gz GQBZZJMJROIZLD-BQBZGAKWSA-N 1 2 354.241 2.177 20 30 FEEDLO Cc1sc(NC(=O)C[NH+]2CCC3(CC2)C[C@H](O)CCO3)c(C#N)c1C ZINC000933058884 681356066 /nfs/dbraw/zinc/35/60/66/681356066.db2.gz HZINFBPCMDHFOP-CQSZACIVSA-N 1 2 363.483 2.181 20 30 FEEDLO CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)[N@H+](C)Cc2cc(C#N)cs2)C1 ZINC000933777695 681467347 /nfs/dbraw/zinc/46/73/47/681467347.db2.gz NQVPONMRYJAWDC-DZGCQCFKSA-N 1 2 363.483 2.242 20 30 FEEDLO CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)[N@@H+](C)Cc2cc(C#N)cs2)C1 ZINC000933777695 681467349 /nfs/dbraw/zinc/46/73/49/681467349.db2.gz NQVPONMRYJAWDC-DZGCQCFKSA-N 1 2 363.483 2.242 20 30 FEEDLO C#C[C@H]1CCC[N@@H+](CN2C(=O)N[C@](C)(c3ccc(Cl)s3)C2=O)C1 ZINC000848493373 681561293 /nfs/dbraw/zinc/56/12/93/681561293.db2.gz MKGLQZXOQYBVGU-MEDUHNTESA-N 1 2 351.859 2.471 20 30 FEEDLO C#C[C@H]1CCC[N@H+](CN2C(=O)N[C@](C)(c3ccc(Cl)s3)C2=O)C1 ZINC000848493373 681561299 /nfs/dbraw/zinc/56/12/99/681561299.db2.gz MKGLQZXOQYBVGU-MEDUHNTESA-N 1 2 351.859 2.471 20 30 FEEDLO C=C(CC[NH+](C)C)C(=O)Nc1cc(F)cc(CNC(=O)C(F)(F)F)c1 ZINC000913669346 685481792 /nfs/dbraw/zinc/48/17/92/685481792.db2.gz MWLPYRZMKOPESC-UHFFFAOYSA-N 1 2 361.339 2.451 20 30 FEEDLO COc1c(C)c[nH+]c(CNS(=O)(=O)Cc2ccc(C#N)cc2F)c1C ZINC000784735244 682249868 /nfs/dbraw/zinc/24/98/68/682249868.db2.gz DZDCZYVVNYTCIB-UHFFFAOYSA-N 1 2 363.414 2.337 20 30 FEEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC000852734879 682330902 /nfs/dbraw/zinc/33/09/02/682330902.db2.gz DVQWMBBSWYBYRB-HUUCEWRRSA-N 1 2 355.454 2.124 20 30 FEEDLO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC000852734879 682330908 /nfs/dbraw/zinc/33/09/08/682330908.db2.gz DVQWMBBSWYBYRB-HUUCEWRRSA-N 1 2 355.454 2.124 20 30 FEEDLO CN=c1scc(-c2cnn(C)n2)n1N=Cc1cc(-n2cc[nH+]c2)cs1 ZINC000789983145 682643079 /nfs/dbraw/zinc/64/30/79/682643079.db2.gz HLLDPRJWEVZNAK-UHFFFAOYSA-N 1 2 370.467 2.005 20 30 FEEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860164669 683211413 /nfs/dbraw/zinc/21/14/13/683211413.db2.gz IZVNNSMOUWKTBN-BFHYXJOUSA-N 1 2 359.451 2.124 20 30 FEEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860164669 683211415 /nfs/dbraw/zinc/21/14/15/683211415.db2.gz IZVNNSMOUWKTBN-BFHYXJOUSA-N 1 2 359.451 2.124 20 30 FEEDLO C[NH+](C)Cc1csc(CNC(=O)c2cnc(C(F)(F)F)c(C#N)c2)n1 ZINC000927764739 683307466 /nfs/dbraw/zinc/30/74/66/683307466.db2.gz IEANKNZHZSGOQV-UHFFFAOYSA-N 1 2 369.372 2.420 20 30 FEEDLO C[NH+](C)Cc1csc(CNS(=O)(=O)c2cc(C#N)ccc2Cl)n1 ZINC000921092839 683394985 /nfs/dbraw/zinc/39/49/85/683394985.db2.gz HXHBTINTDPVABR-UHFFFAOYSA-N 1 2 370.887 2.208 20 30 FEEDLO C#CC1(O)CCN(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)CC1 ZINC000929331712 683580463 /nfs/dbraw/zinc/58/04/63/683580463.db2.gz KAFKLPIDOFQWDO-AWEZNQCLSA-N 1 2 362.499 2.367 20 30 FEEDLO C#CC1(O)CCN(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)CC1 ZINC000929331712 683580467 /nfs/dbraw/zinc/58/04/67/683580467.db2.gz KAFKLPIDOFQWDO-AWEZNQCLSA-N 1 2 362.499 2.367 20 30 FEEDLO C=CCN(Cc1cccs1)C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000929697802 683627980 /nfs/dbraw/zinc/62/79/80/683627980.db2.gz WNZULSQHAMUWFT-WBVHZDCISA-N 1 2 350.484 2.143 20 30 FEEDLO C=CCSc1ccccc1NC(=O)C[NH2+][C@H]1COCCC1(OC)OC ZINC000931665735 684323534 /nfs/dbraw/zinc/32/35/34/684323534.db2.gz ATWRFBMTVXJVHK-INIZCTEOSA-N 1 2 366.483 2.271 20 30 FEEDLO CN(CCc1cccc(C#N)c1)C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000924787820 684492168 /nfs/dbraw/zinc/49/21/68/684492168.db2.gz LMNVUAFMBWSILX-UHFFFAOYSA-N 1 2 357.483 2.460 20 30 FEEDLO CC#CC[NH2+]Cc1cn(C[C@H](O)c2ccc(F)c(Br)c2)nn1 ZINC000881417797 687131689 /nfs/dbraw/zinc/13/16/89/687131689.db2.gz OLXQMLJCVGCKMP-HNNXBMFYSA-N 1 2 367.222 2.026 20 30 FEEDLO C=C(C)C[C@H](CO)NC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000883570039 687670393 /nfs/dbraw/zinc/67/03/93/687670393.db2.gz REZISDVKYQHVQF-COXVUDFISA-N 1 2 353.413 2.336 20 30 FEEDLO C=C(C)C[C@H](CO)NC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000883570039 687670396 /nfs/dbraw/zinc/67/03/96/687670396.db2.gz REZISDVKYQHVQF-COXVUDFISA-N 1 2 353.413 2.336 20 30 FEEDLO N#Cc1cccc(-c2nnc(C[N@H+]3CC[C@](CO)(C(F)(F)F)C3)o2)c1 ZINC000886799208 688314471 /nfs/dbraw/zinc/31/44/71/688314471.db2.gz NZURVKYWVFTSCX-HNNXBMFYSA-N 1 2 352.316 2.355 20 30 FEEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3CC[C@](CO)(C(F)(F)F)C3)o2)c1 ZINC000886799208 688314478 /nfs/dbraw/zinc/31/44/78/688314478.db2.gz NZURVKYWVFTSCX-HNNXBMFYSA-N 1 2 352.316 2.355 20 30 FEEDLO N#Cc1sc(NC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)nc1Cl ZINC000888412736 688607539 /nfs/dbraw/zinc/60/75/39/688607539.db2.gz SAQQZFUPDOXPBW-NSHDSACASA-N 1 2 369.878 2.387 20 30 FEEDLO C=CCOC(=O)[C@@H]([NH3+])Cc1nc(Cc2cccc(Br)c2)no1 ZINC000904085610 691001599 /nfs/dbraw/zinc/00/15/99/691001599.db2.gz PPWVUAYNJXFUKI-LBPRGKRZSA-N 1 2 366.215 2.022 20 30 FEEDLO C=CCOC(=O)[C@@H]([NH3+])Cc1nc(Cc2ccc(Br)s2)no1 ZINC000904100348 691002851 /nfs/dbraw/zinc/00/28/51/691002851.db2.gz CFGNDQROLKVXIQ-VIFPVBQESA-N 1 2 372.244 2.083 20 30 FEEDLO C#CCC[NH+]1CCN(C(=O)c2c[nH]c(=NC(=O)OC(C)(C)C)s2)CC1 ZINC000906484441 691276056 /nfs/dbraw/zinc/27/60/56/691276056.db2.gz YMLCXAWCMOYPKG-UHFFFAOYSA-N 1 2 364.471 2.271 20 30 FEEDLO N#CC[C@H](CC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)c1ccccc1 ZINC000475780377 832366267 /nfs/dbraw/zinc/36/62/67/832366267.db2.gz WIHUSLLZYZJFDL-GOSISDBHSA-N 1 2 367.453 2.241 20 30 FEEDLO Cc1nc(N(C)C)nc(N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)[nH+]1 ZINC000488440829 857996032 /nfs/dbraw/zinc/99/60/32/857996032.db2.gz QYORMORRANJVBO-CQSZACIVSA-N 1 2 355.421 2.338 20 30 FEEDLO Cc1cc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)nn1CCC#N ZINC000504087069 888550757 /nfs/dbraw/zinc/55/07/57/888550757.db2.gz MBEPLBJUJLCCPR-UHFFFAOYSA-N 1 2 365.353 2.451 20 30 FEEDLO CCC(=O)N1CCC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)CC1 ZINC000077389535 210213238 /nfs/dbraw/zinc/21/32/38/210213238.db2.gz PFIZWQGLCDDOCB-KRWDZBQOSA-N 1 2 356.470 2.266 20 30 FEEDLO CCC(=O)N1CCC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)CC1 ZINC000077389535 210213243 /nfs/dbraw/zinc/21/32/43/210213243.db2.gz PFIZWQGLCDDOCB-KRWDZBQOSA-N 1 2 356.470 2.266 20 30 FEEDLO Cc1nn(C)c(N2CC[NH+](C[C@H](O)c3ccccc3Cl)CC2)c1C#N ZINC000800381467 674046980 /nfs/dbraw/zinc/04/69/80/674046980.db2.gz YNGHMRVNKUYINE-KRWDZBQOSA-N 1 2 359.861 2.109 20 30 FEEDLO C=CCN1C(=O)c2ccc(C(=O)NCc3cn4ccccc4[nH+]3)cc2C1=O ZINC000008053662 539475653 /nfs/dbraw/zinc/47/56/53/539475653.db2.gz QRLNOKGRRDSHOW-UHFFFAOYSA-N 1 2 360.373 2.046 20 30 FEEDLO C=CCNC(=O)CSc1nnc(C[NH+]2CCCC2)n1Cc1ccccc1 ZINC000022835780 539701206 /nfs/dbraw/zinc/70/12/06/539701206.db2.gz KPICYLUEXCMPHF-UHFFFAOYSA-N 1 2 371.510 2.317 20 30 FEEDLO C[C@H](C(=O)NCc1cccs1)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000023258881 539710088 /nfs/dbraw/zinc/71/00/88/539710088.db2.gz KGKMZKDBULBTOV-MRXNPFEDSA-N 1 2 368.506 2.442 20 30 FEEDLO Cc1nn(C)c2ncc(C(=O)N3CC[NH+](Cc4ccc(C#N)cc4)CC3)cc12 ZINC000023749558 539720210 /nfs/dbraw/zinc/72/02/10/539720210.db2.gz BTCKNTXWNSZPIC-UHFFFAOYSA-N 1 2 374.448 2.106 20 30 FEEDLO Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000024050189 539724695 /nfs/dbraw/zinc/72/46/95/539724695.db2.gz BXYOXACAFCJONJ-UHFFFAOYSA-N 1 2 372.498 2.429 20 30 FEEDLO Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000024050189 539724697 /nfs/dbraw/zinc/72/46/97/539724697.db2.gz BXYOXACAFCJONJ-UHFFFAOYSA-N 1 2 372.498 2.429 20 30 FEEDLO N#Cc1cccc(S(=O)(=O)NCc2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000024687351 539738670 /nfs/dbraw/zinc/73/86/70/539738670.db2.gz REWSUUPOSLZXLZ-UHFFFAOYSA-N 1 2 352.419 2.282 20 30 FEEDLO N#Cc1ccnc(N2CC[NH+](CC(=O)N3CCC[C@@H]4CCCC[C@H]43)CC2)c1 ZINC000025940814 539772910 /nfs/dbraw/zinc/77/29/10/539772910.db2.gz XURCMBVBDGISKP-RBUKOAKNSA-N 1 2 367.497 2.256 20 30 FEEDLO Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCc1cn2ccccc2[nH+]1 ZINC000028875463 539838316 /nfs/dbraw/zinc/83/83/16/539838316.db2.gz FXZHVWPLFDWKFW-UHFFFAOYSA-N 1 2 373.420 2.115 20 30 FEEDLO COc1ccc(OC)c(C[N@H+](CC(=O)N[C@](C)(C#N)C2CC2)C2CC2)c1 ZINC000028980496 539841066 /nfs/dbraw/zinc/84/10/66/539841066.db2.gz PDARITJOVXELJO-HXUWFJFHSA-N 1 2 357.454 2.477 20 30 FEEDLO COc1ccc(OC)c(C[N@@H+](CC(=O)N[C@](C)(C#N)C2CC2)C2CC2)c1 ZINC000028980496 539841068 /nfs/dbraw/zinc/84/10/68/539841068.db2.gz PDARITJOVXELJO-HXUWFJFHSA-N 1 2 357.454 2.477 20 30 FEEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[NH+]2CCC(O)CC2)c1C#N ZINC000029122288 539843614 /nfs/dbraw/zinc/84/36/14/539843614.db2.gz SGKYBYRJUOFDFQ-UHFFFAOYSA-N 1 2 352.438 2.361 20 30 FEEDLO CNC(=O)c1ccc(C[N@H+](C)CC(=O)Nc2oc(C)c(C)c2C#N)cc1 ZINC000029931284 539869213 /nfs/dbraw/zinc/86/92/13/539869213.db2.gz RVDSZQSOYCPWNS-UHFFFAOYSA-N 1 2 354.410 2.198 20 30 FEEDLO CNC(=O)c1ccc(C[N@@H+](C)CC(=O)Nc2oc(C)c(C)c2C#N)cc1 ZINC000029931284 539869218 /nfs/dbraw/zinc/86/92/18/539869218.db2.gz RVDSZQSOYCPWNS-UHFFFAOYSA-N 1 2 354.410 2.198 20 30 FEEDLO COc1ccccc1N1CC[NH+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000032830790 539955152 /nfs/dbraw/zinc/95/51/52/539955152.db2.gz ACDRNEYXXHISES-UZLBHIALSA-N 1 2 358.486 2.260 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000032831962 539955553 /nfs/dbraw/zinc/95/55/53/539955553.db2.gz UZHXQOGJKJQDTJ-BEFAXECRSA-N 1 2 373.457 2.160 20 30 FEEDLO CN(C(=O)C[NH+]1CCN(c2ccc(O)cc2)CC1)C1(C#N)CCCCC1 ZINC000034868286 539978346 /nfs/dbraw/zinc/97/83/46/539978346.db2.gz WMQBMFCLDCBNMT-UHFFFAOYSA-N 1 2 356.470 2.199 20 30 FEEDLO N#Cc1cc(NC(=O)C(=O)NCCc2cn3ccccc3[nH+]2)ccc1Cl ZINC000041245956 540015527 /nfs/dbraw/zinc/01/55/27/540015527.db2.gz DUPSWFCTNLAXBD-UHFFFAOYSA-N 1 2 367.796 2.157 20 30 FEEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN(CCOc2ccccc2)CC1 ZINC000042384950 540061738 /nfs/dbraw/zinc/06/17/38/540061738.db2.gz JSLCGWDNIJWSNJ-IBGZPJMESA-N 1 2 357.498 2.272 20 30 FEEDLO N#Cc1cccc(CNC(=O)NCc2ccccc2C[NH+]2CCOCC2)c1 ZINC000042316861 540058480 /nfs/dbraw/zinc/05/84/80/540058480.db2.gz OAQCAIFUVUIXQS-UHFFFAOYSA-N 1 2 364.449 2.390 20 30 FEEDLO N#Cc1ccccc1N1CCC[N@H+](Cc2nnnn2-c2ccccc2)CC1 ZINC000046086528 540241376 /nfs/dbraw/zinc/24/13/76/540241376.db2.gz CUUFLSDKBPOQHV-UHFFFAOYSA-N 1 2 359.437 2.246 20 30 FEEDLO N#Cc1ccccc1N1CCC[N@@H+](Cc2nnnn2-c2ccccc2)CC1 ZINC000046086528 540241379 /nfs/dbraw/zinc/24/13/79/540241379.db2.gz CUUFLSDKBPOQHV-UHFFFAOYSA-N 1 2 359.437 2.246 20 30 FEEDLO C=CCN(CC=C)C(=O)C[N@H+](CC)CC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000048810724 540374742 /nfs/dbraw/zinc/37/47/42/540374742.db2.gz PRWMOOSRDOGFHC-UHFFFAOYSA-N 1 2 372.469 2.106 20 30 FEEDLO C=CCN(CC=C)C(=O)C[N@@H+](CC)CC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000048810724 540374743 /nfs/dbraw/zinc/37/47/43/540374743.db2.gz PRWMOOSRDOGFHC-UHFFFAOYSA-N 1 2 372.469 2.106 20 30 FEEDLO CCN(C[C@@H](C)C#N)C(=O)CN1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000052217230 540458756 /nfs/dbraw/zinc/45/87/56/540458756.db2.gz GEKKWZWOMPMYOE-INIZCTEOSA-N 1 2 372.517 2.039 20 30 FEEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)c1C#N ZINC000536301182 540576983 /nfs/dbraw/zinc/57/69/83/540576983.db2.gz NDFJUCCPVODFIM-UHFFFAOYSA-N 1 2 370.413 2.258 20 30 FEEDLO C=CC[N@H+](CC(=O)N[C@@H](C)C(=O)N1CCCCC1)Cc1ccc(OC)cc1 ZINC000054272673 540579449 /nfs/dbraw/zinc/57/94/49/540579449.db2.gz ATCJATTZXGXYGA-KRWDZBQOSA-N 1 2 373.497 2.200 20 30 FEEDLO C=CC[N@@H+](CC(=O)N[C@@H](C)C(=O)N1CCCCC1)Cc1ccc(OC)cc1 ZINC000054272673 540579453 /nfs/dbraw/zinc/57/94/53/540579453.db2.gz ATCJATTZXGXYGA-KRWDZBQOSA-N 1 2 373.497 2.200 20 30 FEEDLO Cc1oc(NC(=O)C[NH+]2CCC(C(=O)N3CCCC3)CC2)c(C#N)c1C ZINC000054619296 540598404 /nfs/dbraw/zinc/59/84/04/540598404.db2.gz VTSQZESJMKMNOZ-UHFFFAOYSA-N 1 2 358.442 2.041 20 30 FEEDLO C[C@@H]1CN(c2ccc(CNC(=O)N3CCC(C#N)CC3)c[nH+]2)C[C@H](C)O1 ZINC000057993184 540826571 /nfs/dbraw/zinc/82/65/71/540826571.db2.gz XNFJNWRPFLRFAW-GASCZTMLSA-N 1 2 357.458 2.140 20 30 FEEDLO N#CCCCC[NH+]1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000058380025 540841183 /nfs/dbraw/zinc/84/11/83/540841183.db2.gz ZYCJGFNLYCFMOP-UHFFFAOYSA-N 1 2 359.854 2.479 20 30 FEEDLO CCN1C[C@@H](C[N@H+](C)CC(=O)N[C@@](C)(C#N)C(C)C)Oc2ccccc21 ZINC000058289108 540837908 /nfs/dbraw/zinc/83/79/08/540837908.db2.gz OWDBCXUFWDJGJM-UZLBHIALSA-N 1 2 358.486 2.260 20 30 FEEDLO CCN1C[C@@H](C[N@@H+](C)CC(=O)N[C@@](C)(C#N)C(C)C)Oc2ccccc21 ZINC000058289108 540837910 /nfs/dbraw/zinc/83/79/10/540837910.db2.gz OWDBCXUFWDJGJM-UZLBHIALSA-N 1 2 358.486 2.260 20 30 FEEDLO C[C@@H](OC[C@@H]1CCCCO1)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000066308123 541299584 /nfs/dbraw/zinc/29/95/84/541299584.db2.gz JHALLKAKLSMDIO-XLIONFOSSA-N 1 2 371.481 2.177 20 30 FEEDLO CC[N@@H+](CC(=O)N1CCC(NC(=O)c2ccccc2C)CC1)C[C@@H](C)C#N ZINC000066424735 541316045 /nfs/dbraw/zinc/31/60/45/541316045.db2.gz YPCXHNPFWFUFKZ-INIZCTEOSA-N 1 2 370.497 2.197 20 30 FEEDLO CC[N@H+](CC(=O)N1CCC(NC(=O)c2ccccc2C)CC1)C[C@@H](C)C#N ZINC000066424735 541316048 /nfs/dbraw/zinc/31/60/48/541316048.db2.gz YPCXHNPFWFUFKZ-INIZCTEOSA-N 1 2 370.497 2.197 20 30 FEEDLO CCCc1nc(CO[NH+]=C(N)c2ccc(-n3nc(C)cc3C)nc2)no1 ZINC000067099264 541417700 /nfs/dbraw/zinc/41/77/00/541417700.db2.gz ZOUWJIHDVUHSMJ-UHFFFAOYSA-N 1 2 355.402 2.057 20 30 FEEDLO N#Cc1ccsc1NC(=O)C[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000067442930 541465569 /nfs/dbraw/zinc/46/55/69/541465569.db2.gz VSTWQBGDWMKIHD-UHFFFAOYSA-N 1 2 366.450 2.481 20 30 FEEDLO N#C[C@@H](c1ccccc1)N1CCN(C(=O)Cc2cn3ccccc3[nH+]2)CC1 ZINC000068743043 541624559 /nfs/dbraw/zinc/62/45/59/541624559.db2.gz XZHSTZGHMYQWGB-IBGZPJMESA-N 1 2 359.433 2.286 20 30 FEEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)c2ccc(OC3CCCC3)nc2)c1C#N ZINC000543849601 541672596 /nfs/dbraw/zinc/67/25/96/541672596.db2.gz NCDWAKQNYYHMRI-UHFFFAOYSA-N 1 2 368.441 2.402 20 30 FEEDLO CC(C)(C)c1ccccc1OCC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000070920483 541751772 /nfs/dbraw/zinc/75/17/72/541751772.db2.gz XMWULYNRMQFHST-UHFFFAOYSA-N 1 2 373.497 2.437 20 30 FEEDLO N#Cc1cccc(NC(=O)CC[N@@H+]2CCNC(=O)[C@H]2c2cccs2)c1 ZINC000072800569 541867850 /nfs/dbraw/zinc/86/78/50/541867850.db2.gz YKGUZALXXDJMFW-QGZVFWFLSA-N 1 2 354.435 2.121 20 30 FEEDLO N#Cc1cccc(NC(=O)CC[N@H+]2CCNC(=O)[C@H]2c2cccs2)c1 ZINC000072800569 541867854 /nfs/dbraw/zinc/86/78/54/541867854.db2.gz YKGUZALXXDJMFW-QGZVFWFLSA-N 1 2 354.435 2.121 20 30 FEEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1CC(=O)N1CCC2(CC1)OCCO2 ZINC000072898246 541890931 /nfs/dbraw/zinc/89/09/31/541890931.db2.gz IJZIWQONYLNCHN-OALUTQOASA-N 1 2 369.465 2.124 20 30 FEEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CC(=O)N1CCC2(CC1)OCCO2 ZINC000072898246 541890936 /nfs/dbraw/zinc/89/09/36/541890936.db2.gz IJZIWQONYLNCHN-OALUTQOASA-N 1 2 369.465 2.124 20 30 FEEDLO Cc1nc(CC(N)=[NH+]O[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cs1 ZINC000072920090 541894186 /nfs/dbraw/zinc/89/41/86/541894186.db2.gz BVHLYMCGVNOXTQ-VIFPVBQESA-N 1 2 363.399 2.218 20 30 FEEDLO CC(C)CCC[C@H](C)NC(=O)C[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000073108588 541920048 /nfs/dbraw/zinc/92/00/48/541920048.db2.gz CKKSDJRBPSXJQF-KRWDZBQOSA-N 1 2 357.502 2.406 20 30 FEEDLO C[C@@H](Oc1ccccc1C#N)C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000075710245 542199682 /nfs/dbraw/zinc/19/96/82/542199682.db2.gz PQGUHSZICIGIKJ-LLVKDONJSA-N 1 2 352.316 2.401 20 30 FEEDLO C=CCOc1cccc(NC(=O)C(=O)NCc2[nH+]ccn2CC(C)C)c1 ZINC000076375239 542268484 /nfs/dbraw/zinc/26/84/84/542268484.db2.gz QLOSYKIHMOWMEI-UHFFFAOYSA-N 1 2 356.426 2.359 20 30 FEEDLO COC(=O)C1CC[NH+](CC(=O)N(CCC#N)c2cccc(C)c2C)CC1 ZINC000076458165 542281438 /nfs/dbraw/zinc/28/14/38/542281438.db2.gz UZNONOZXTQWTLW-UHFFFAOYSA-N 1 2 357.454 2.435 20 30 FEEDLO Cc1cccn2cc(CN3C(=O)N[C@@](C)(c4cccc(C#N)c4)C3=O)[nH+]c12 ZINC000076940371 542331322 /nfs/dbraw/zinc/33/13/22/542331322.db2.gz ADHMCIJGWZQUCA-FQEVSTJZSA-N 1 2 359.389 2.482 20 30 FEEDLO COC(=O)C1CC[NH+]([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)CC1 ZINC000078606692 542470195 /nfs/dbraw/zinc/47/01/95/542470195.db2.gz NEUQUIKPIHSSHT-AWEZNQCLSA-N 1 2 361.417 2.346 20 30 FEEDLO Cc1ccc2c(CN(CCC#N)CC[NH+]3CCOCC3)cc(=O)oc2c1 ZINC000078686791 542477052 /nfs/dbraw/zinc/47/70/52/542477052.db2.gz FIFMNYRWFDUKAU-UHFFFAOYSA-N 1 2 355.438 2.149 20 30 FEEDLO C#CCC[NH+]1CCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000079869895 542546857 /nfs/dbraw/zinc/54/68/57/542546857.db2.gz OWFJFWSCOVNGDT-UHFFFAOYSA-N 1 2 355.316 2.395 20 30 FEEDLO C[C@@H](C(=O)Nc1ccccc1C#N)N1CCN(C2=[NH+]CC(C)(C)S2)CC1 ZINC000081016681 542625133 /nfs/dbraw/zinc/62/51/33/542625133.db2.gz KCQMBCONEPPIFH-AWEZNQCLSA-N 1 2 371.510 2.384 20 30 FEEDLO C[C@@H]1CCCN(C(=O)C2CCN(C(=O)C[N@H+](CCC#N)CC3CC3)CC2)C1 ZINC000081060542 542627959 /nfs/dbraw/zinc/62/79/59/542627959.db2.gz FBZHZXWMAXFSAK-QGZVFWFLSA-N 1 2 374.529 2.109 20 30 FEEDLO C[C@@H]1CCCN(C(=O)C2CCN(C(=O)C[N@@H+](CCC#N)CC3CC3)CC2)C1 ZINC000081060542 542627963 /nfs/dbraw/zinc/62/79/63/542627963.db2.gz FBZHZXWMAXFSAK-QGZVFWFLSA-N 1 2 374.529 2.109 20 30 FEEDLO N#Cc1ccsc1N1CC[C@H]([NH+]2CCC(NC(=O)C3CCC3)CC2)C1=O ZINC000083170388 542692991 /nfs/dbraw/zinc/69/29/91/542692991.db2.gz SZUADJCJRNJOCO-INIZCTEOSA-N 1 2 372.494 2.106 20 30 FEEDLO CC(=O)c1ccc(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1C ZINC000089465728 542763661 /nfs/dbraw/zinc/76/36/61/542763661.db2.gz DSFWSZBFCPHJNR-UHFFFAOYSA-N 1 2 358.442 2.277 20 30 FEEDLO N#CCOc1cccc(CC(=O)NCc2cc[nH+]c(N3CCCC3)c2)c1 ZINC000089658973 542767286 /nfs/dbraw/zinc/76/72/86/542767286.db2.gz IYXUQISEPXMUFF-UHFFFAOYSA-N 1 2 350.422 2.443 20 30 FEEDLO COC(=O)[C@]1(F)CC[N@H+](Cc2ccc(OC)c(OCCCC#N)c2)C1 ZINC000093888133 542944153 /nfs/dbraw/zinc/94/41/53/542944153.db2.gz NHQMVVZRQPHFRS-SFHVURJKSA-N 1 2 350.390 2.465 20 30 FEEDLO COC(=O)[C@]1(F)CC[N@@H+](Cc2ccc(OC)c(OCCCC#N)c2)C1 ZINC000093888133 542944155 /nfs/dbraw/zinc/94/41/55/542944155.db2.gz NHQMVVZRQPHFRS-SFHVURJKSA-N 1 2 350.390 2.465 20 30 FEEDLO C[C@@H](C1CC1)N(C(=O)C[NH+]1CCN(c2ccccc2C#N)CC1)C1CC1 ZINC000101554342 543032387 /nfs/dbraw/zinc/03/23/87/543032387.db2.gz UHJWYKDXTQZQQX-INIZCTEOSA-N 1 2 352.482 2.470 20 30 FEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000101558370 543032539 /nfs/dbraw/zinc/03/25/39/543032539.db2.gz DOTSJDJBIHMFSU-MRXNPFEDSA-N 1 2 356.445 2.408 20 30 FEEDLO CC(C)n1nccc1NC(=O)[C@@H](C)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000101554823 543032617 /nfs/dbraw/zinc/03/26/17/543032617.db2.gz NDIULENAOVLYJW-MRXNPFEDSA-N 1 2 366.469 2.485 20 30 FEEDLO CNC(=O)[C@@H]1CCCC[N@@H+]1CC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000104671889 543136918 /nfs/dbraw/zinc/13/69/18/543136918.db2.gz ILDFONWKWIJKGH-SFHVURJKSA-N 1 2 356.470 2.151 20 30 FEEDLO CNC(=O)[C@@H]1CCCC[N@H+]1CC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000104671889 543136919 /nfs/dbraw/zinc/13/69/19/543136919.db2.gz ILDFONWKWIJKGH-SFHVURJKSA-N 1 2 356.470 2.151 20 30 FEEDLO CN(C(=O)C[N@H+](C)[C@@H]1CCN(c2ccccc2)C1=O)C1(C#N)CCCCC1 ZINC000109814547 543340021 /nfs/dbraw/zinc/34/00/21/543340021.db2.gz GNWYFQAACBBCEC-GOSISDBHSA-N 1 2 368.481 2.409 20 30 FEEDLO CN(C(=O)C[N@@H+](C)[C@@H]1CCN(c2ccccc2)C1=O)C1(C#N)CCCCC1 ZINC000109814547 543340024 /nfs/dbraw/zinc/34/00/24/543340024.db2.gz GNWYFQAACBBCEC-GOSISDBHSA-N 1 2 368.481 2.409 20 30 FEEDLO COC(=O)CCCc1nc(CO[NH+]=C(N)c2cccc(Cl)c2)no1 ZINC000111176306 543384198 /nfs/dbraw/zinc/38/41/98/543384198.db2.gz WJIIIOZSICNUCO-UHFFFAOYSA-N 1 2 352.778 2.056 20 30 FEEDLO N#C[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)nc2)CCN1Cc1ccccc1 ZINC000114441393 543516373 /nfs/dbraw/zinc/51/63/73/543516373.db2.gz MULMXZMPPYPBHD-IBGZPJMESA-N 1 2 372.432 2.117 20 30 FEEDLO Cc1ccc([C@@H](CNC(=O)c2ccc(C#N)nc2)[NH+]2CCOCC2)cc1 ZINC000115037463 543550382 /nfs/dbraw/zinc/55/03/82/543550382.db2.gz MVQOLEGPLGYVCK-LJQANCHMSA-N 1 2 350.422 2.065 20 30 FEEDLO C[C@@H]([NH2+][C@H](C)c1nnnn1-c1ccccc1)C(=O)Nc1ccccc1C#N ZINC000115604746 543578193 /nfs/dbraw/zinc/57/81/93/543578193.db2.gz TVLVGBBHSDGGFO-ZIAGYGMSSA-N 1 2 361.409 2.212 20 30 FEEDLO CSc1[nH]c(=O)c(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)cc1C#N ZINC000115716209 543583138 /nfs/dbraw/zinc/58/31/38/543583138.db2.gz KHYXMPUBSXWBOI-UHFFFAOYSA-N 1 2 374.441 2.099 20 30 FEEDLO C[C@H](C(=O)N(CCC#N)CC1CC1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000117789177 543639989 /nfs/dbraw/zinc/63/99/89/543639989.db2.gz ULXZZHADEQURPY-MRXNPFEDSA-N 1 2 358.461 2.488 20 30 FEEDLO C=CCNC(=O)c1cccc(S(=O)(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)c1 ZINC000121423061 543694191 /nfs/dbraw/zinc/69/41/91/543694191.db2.gz HTPQKRTTZDORGM-INIZCTEOSA-N 1 2 374.466 2.241 20 30 FEEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCc2cccc(Br)c2C1 ZINC000118410778 543651849 /nfs/dbraw/zinc/65/18/49/543651849.db2.gz SCYQPRTTYCXBGA-NSHDSACASA-N 1 2 366.259 2.208 20 30 FEEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCc2cccc(Br)c2C1 ZINC000118410778 543651851 /nfs/dbraw/zinc/65/18/51/543651851.db2.gz SCYQPRTTYCXBGA-NSHDSACASA-N 1 2 366.259 2.208 20 30 FEEDLO Cn1c2ccc(NC(=O)C(=O)N3CCC(C#N)CC3)cc2[nH+]c1C1CC1 ZINC000123008719 543737185 /nfs/dbraw/zinc/73/71/85/543737185.db2.gz BIWOBRPMCLVHCG-UHFFFAOYSA-N 1 2 351.410 2.151 20 30 FEEDLO C=C[C@H](CC(=O)N1CC[NH+](CC(=O)N(CC)CC)CC1)c1ccccc1 ZINC000126373297 543932577 /nfs/dbraw/zinc/93/25/77/543932577.db2.gz BMEZRFRDQJNETA-GOSISDBHSA-N 1 2 357.498 2.359 20 30 FEEDLO CC(C)(C)NC(=O)C[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000130863607 544168465 /nfs/dbraw/zinc/16/84/65/544168465.db2.gz MEVXPGHUPACMSB-UHFFFAOYSA-N 1 2 351.454 2.143 20 30 FEEDLO C=CCC[C@H](NC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)c1ccccc1 ZINC000131037438 544174777 /nfs/dbraw/zinc/17/47/77/544174777.db2.gz KMYJSYIRMUFHIZ-MOPGFXCFSA-N 1 2 361.486 2.028 20 30 FEEDLO C[C@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN(CC#Cc3ccc(F)cc3)CC2)C1 ZINC000132492455 544233051 /nfs/dbraw/zinc/23/30/51/544233051.db2.gz QZEHESUEACKOOD-OALUTQOASA-N 1 2 371.500 2.299 20 30 FEEDLO CC(C)NS(=O)(=O)[C@H]1CC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000134357771 544304832 /nfs/dbraw/zinc/30/48/32/544304832.db2.gz UCTOQZYQOAXAJC-INIZCTEOSA-N 1 2 374.428 2.459 20 30 FEEDLO CC(C)NS(=O)(=O)[C@H]1CC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000134357771 544304834 /nfs/dbraw/zinc/30/48/34/544304834.db2.gz UCTOQZYQOAXAJC-INIZCTEOSA-N 1 2 374.428 2.459 20 30 FEEDLO O=S(=O)([C@@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1)N1CCCC1 ZINC000135683122 544358678 /nfs/dbraw/zinc/35/86/78/544358678.db2.gz PCPWVJPGFGECHI-QGZVFWFLSA-N 1 2 352.887 2.191 20 30 FEEDLO O=S(=O)([C@@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)C1)N1CCCC1 ZINC000135683122 544358681 /nfs/dbraw/zinc/35/86/81/544358681.db2.gz PCPWVJPGFGECHI-QGZVFWFLSA-N 1 2 352.887 2.191 20 30 FEEDLO C[C@@H]1CC[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C[C@@H]1n1ccnc1 ZINC000136086292 544365965 /nfs/dbraw/zinc/36/59/65/544365965.db2.gz TVEXAVMTZNPLDC-QAPCUYQASA-N 1 2 358.467 2.112 20 30 FEEDLO C[C@@H]1CC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C[C@@H]1n1ccnc1 ZINC000136086292 544365968 /nfs/dbraw/zinc/36/59/68/544365968.db2.gz TVEXAVMTZNPLDC-QAPCUYQASA-N 1 2 358.467 2.112 20 30 FEEDLO C[C@@H]1[C@H](C)OCC[N@@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000139371269 544402241 /nfs/dbraw/zinc/40/22/41/544402241.db2.gz GPOIZODTFDNBBE-KGLIPLIRSA-N 1 2 354.372 2.282 20 30 FEEDLO C[C@@H]1[C@H](C)OCC[N@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000139371269 544402243 /nfs/dbraw/zinc/40/22/43/544402243.db2.gz GPOIZODTFDNBBE-KGLIPLIRSA-N 1 2 354.372 2.282 20 30 FEEDLO Cc1ccc(-c2noc(CCC[NH+]3CCN(C(=O)CC#N)CC3)n2)cc1 ZINC000153573787 544792858 /nfs/dbraw/zinc/79/28/58/544792858.db2.gz HRZRRRRUAAFNDF-UHFFFAOYSA-N 1 2 353.426 2.036 20 30 FEEDLO Cc1oc(NC(=O)C[N@H+](CCC2CCCCC2)CC(N)=O)c(C#N)c1C ZINC000154971250 544972178 /nfs/dbraw/zinc/97/21/78/544972178.db2.gz IOJRDVADKKVUOA-UHFFFAOYSA-N 1 2 360.458 2.464 20 30 FEEDLO Cc1oc(NC(=O)C[N@@H+](CCC2CCCCC2)CC(N)=O)c(C#N)c1C ZINC000154971250 544972183 /nfs/dbraw/zinc/97/21/83/544972183.db2.gz IOJRDVADKKVUOA-UHFFFAOYSA-N 1 2 360.458 2.464 20 30 FEEDLO CN(C)S(=O)(=O)n1ccnc1C[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000552313161 674201548 /nfs/dbraw/zinc/20/15/48/674201548.db2.gz QLQPMBQZEXGRSB-MRXNPFEDSA-N 1 2 361.471 2.062 20 30 FEEDLO COc1cc(OC)cc([C@H](NC(=O)c2c[nH]c(C#N)c2)c2[nH+]ccn2C)c1 ZINC000181178495 327719539 /nfs/dbraw/zinc/71/95/39/327719539.db2.gz KYNCKVUAQYVALP-KRWDZBQOSA-N 1 2 365.393 2.156 20 30 FEEDLO COc1c(C)c[nH+]c(CN(C)C(=O)C(=O)Nc2cccc(C#N)c2)c1C ZINC000182717572 327786336 /nfs/dbraw/zinc/78/63/36/327786336.db2.gz HEGPLHHNWVXBQT-UHFFFAOYSA-N 1 2 352.394 2.176 20 30 FEEDLO Cc1oc(NC(=O)[C@H](C)N2CCN(c3cc[nH+]c(C)n3)CC2)c(C#N)c1C ZINC000183807980 327837116 /nfs/dbraw/zinc/83/71/16/327837116.db2.gz UBYRWOLBBMGKBR-ZDUSSCGKSA-N 1 2 368.441 2.016 20 30 FEEDLO COc1cc[nH+]cc1NC(=O)C(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000187928080 328054738 /nfs/dbraw/zinc/05/47/38/328054738.db2.gz JEPUJUFYXMLNCX-UHFFFAOYSA-N 1 2 350.378 2.092 20 30 FEEDLO CN(C)S(=O)(=O)c1cccc(NCc2c[nH+]c3ccc(C#N)cn23)c1 ZINC000193148024 328359805 /nfs/dbraw/zinc/35/98/05/328359805.db2.gz LCZMKEJRPIYVOQ-UHFFFAOYSA-N 1 2 355.423 2.068 20 30 FEEDLO N#Cc1ccc(NC(=O)C[NH+]2CCC(NC(=O)c3ccsc3)CC2)cc1 ZINC000193541012 328380744 /nfs/dbraw/zinc/38/07/44/328380744.db2.gz IDWJUFKSSWCHSX-UHFFFAOYSA-N 1 2 368.462 2.453 20 30 FEEDLO N#Cc1ccc(NC(=O)C(=O)NCCCNc2cccc[nH+]2)cc1Cl ZINC000193723708 328391740 /nfs/dbraw/zinc/39/17/40/328391740.db2.gz XZOQFECKWDTLMN-UHFFFAOYSA-N 1 2 357.801 2.164 20 30 FEEDLO Cc1ccccc1CNC(=O)[C@H](C)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000193769289 328394180 /nfs/dbraw/zinc/39/41/80/328394180.db2.gz XTWYQFHADRAMTB-KRWDZBQOSA-N 1 2 363.465 2.089 20 30 FEEDLO COc1cc(OC)c(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)c(OC)c1 ZINC000193854423 328399107 /nfs/dbraw/zinc/39/91/07/328399107.db2.gz ZXEDUELCBQZJAZ-UHFFFAOYSA-N 1 2 368.437 2.301 20 30 FEEDLO CCCCNC(=O)C1CC[NH+]([C@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000083168532 325214024 /nfs/dbraw/zinc/21/40/24/325214024.db2.gz CLZXOIHTGGQVGQ-INIZCTEOSA-N 1 2 374.510 2.353 20 30 FEEDLO CC(C)(C)OC(=O)[C@@H]1CC[N@@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000083250098 325217395 /nfs/dbraw/zinc/21/73/95/325217395.db2.gz UFMXGJJEDOFFLQ-ZIAGYGMSSA-N 1 2 361.467 2.389 20 30 FEEDLO CC(C)(C)OC(=O)[C@@H]1CC[N@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000083250098 325217398 /nfs/dbraw/zinc/21/73/98/325217398.db2.gz UFMXGJJEDOFFLQ-ZIAGYGMSSA-N 1 2 361.467 2.389 20 30 FEEDLO N#Cc1ccc(-c2nnc(C[NH+]3CCC(O)(C(F)(F)F)CC3)o2)cc1 ZINC000089970499 325346764 /nfs/dbraw/zinc/34/67/64/325346764.db2.gz CBYJDXLBCDRODF-UHFFFAOYSA-N 1 2 352.316 2.497 20 30 FEEDLO Cc1cc[nH+]c(N2CCN([C@H]3CCN(c4sccc4C#N)C3=O)CC2)c1 ZINC000120063307 326226822 /nfs/dbraw/zinc/22/68/22/326226822.db2.gz QYQWLJLQVIFWOJ-INIZCTEOSA-N 1 2 367.478 2.251 20 30 FEEDLO N#Cc1ccc([C@@H](O)C[NH+]2CCN(C(=O)c3ccc(F)cc3F)CC2)cc1 ZINC000127394594 326505673 /nfs/dbraw/zinc/50/56/73/326505673.db2.gz KUMHCXCKOMSXKC-IBGZPJMESA-N 1 2 371.387 2.328 20 30 FEEDLO CSc1[nH]c(=O)c(C(=O)N2CC[NH+](C3CCCCC3)CC2)cc1C#N ZINC000151273484 326678565 /nfs/dbraw/zinc/67/85/65/326678565.db2.gz LSKUKJNIGZLKHA-UHFFFAOYSA-N 1 2 360.483 2.059 20 30 FEEDLO N#Cc1nccnc1N1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000152451771 326707583 /nfs/dbraw/zinc/70/75/83/326707583.db2.gz SJHJVNZQAQTOKM-UHFFFAOYSA-N 1 2 358.243 2.433 20 30 FEEDLO N#Cc1c(Cl)cccc1S(=O)(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000156380844 326829110 /nfs/dbraw/zinc/82/91/10/326829110.db2.gz UTQMBAOHKYDWFI-UHFFFAOYSA-N 1 2 364.858 2.265 20 30 FEEDLO Cc1nc(C[N@@H+]2CCCN(C(=O)c3ccc(C#N)c(C)n3)CC2)cs1 ZINC000171816158 327163501 /nfs/dbraw/zinc/16/35/01/327163501.db2.gz ILYGCRMQYBLUOR-UHFFFAOYSA-N 1 2 355.467 2.375 20 30 FEEDLO Cc1nc(C[N@H+]2CCCN(C(=O)c3ccc(C#N)c(C)n3)CC2)cs1 ZINC000171816158 327163502 /nfs/dbraw/zinc/16/35/02/327163502.db2.gz ILYGCRMQYBLUOR-UHFFFAOYSA-N 1 2 355.467 2.375 20 30 FEEDLO CC(C)(C)n1cc(C#N)cc1NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000173266418 327245133 /nfs/dbraw/zinc/24/51/33/327245133.db2.gz LNWHWVCJISFDMA-INIZCTEOSA-N 1 2 359.474 2.443 20 30 FEEDLO CCOC(=O)N[C@@H]1CCC[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000173527279 327264012 /nfs/dbraw/zinc/26/40/12/327264012.db2.gz FETGQSMPNQVTPU-OAHLLOKOSA-N 1 2 355.398 2.319 20 30 FEEDLO CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000173527279 327264014 /nfs/dbraw/zinc/26/40/14/327264014.db2.gz FETGQSMPNQVTPU-OAHLLOKOSA-N 1 2 355.398 2.319 20 30 FEEDLO C[C@@H]1CCC[C@H](NC(=O)C[NH+]2CCN(c3ccc(C#N)cn3)CC2)[C@H]1C ZINC000249768574 328780333 /nfs/dbraw/zinc/78/03/33/328780333.db2.gz QRGMOENGXJLVMO-RYRKJORJSA-N 1 2 355.486 2.016 20 30 FEEDLO C[C@@H](NC(=O)[C@@H](C)[NH+]1CCN(c2ncccc2C#N)CC1)c1ccccc1 ZINC000253375573 328797979 /nfs/dbraw/zinc/79/79/79/328797979.db2.gz QGCUAXQXQXWWEF-IAGOWNOFSA-N 1 2 363.465 2.341 20 30 FEEDLO N#Cc1ccc(N2CC[NH+](CC(=O)N3CCCC3)CC2)c(C(F)(F)F)c1 ZINC000264377225 329016101 /nfs/dbraw/zinc/01/61/01/329016101.db2.gz FQMLTRGWDBMQBZ-UHFFFAOYSA-N 1 2 366.387 2.321 20 30 FEEDLO N#Cc1ccc(-c2nnc(C[N@H+]3CCC[C@@H]3[C@@H](O)C(F)(F)F)o2)cc1 ZINC000266546159 329234891 /nfs/dbraw/zinc/23/48/91/329234891.db2.gz RNPOOCJHVNASFX-TZMCWYRMSA-N 1 2 352.316 2.496 20 30 FEEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3CCC[C@@H]3[C@@H](O)C(F)(F)F)o2)cc1 ZINC000266546159 329234893 /nfs/dbraw/zinc/23/48/93/329234893.db2.gz RNPOOCJHVNASFX-TZMCWYRMSA-N 1 2 352.316 2.496 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3ccncc3[N+](=O)[O-])CC2)cc1 ZINC000272744785 329809987 /nfs/dbraw/zinc/80/99/87/329809987.db2.gz RRBOEDBBKOHUND-UHFFFAOYSA-N 1 2 366.381 2.211 20 30 FEEDLO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(Cc2cccc(C#N)c2F)CC1 ZINC000331783070 330200553 /nfs/dbraw/zinc/20/05/53/330200553.db2.gz DTDJJAHNZASFPN-HNNXBMFYSA-N 1 2 358.461 2.262 20 30 FEEDLO Cc1nc(C[N@@H+](C)[C@H]2CCCN(c3nc4ccccn4c3C#N)CC2)no1 ZINC000373647200 330248458 /nfs/dbraw/zinc/24/84/58/330248458.db2.gz ZWDZQTQYKKHAQN-HNNXBMFYSA-N 1 2 365.441 2.388 20 30 FEEDLO Cc1nc(C[N@H+](C)[C@H]2CCCN(c3nc4ccccn4c3C#N)CC2)no1 ZINC000373647200 330248460 /nfs/dbraw/zinc/24/84/60/330248460.db2.gz ZWDZQTQYKKHAQN-HNNXBMFYSA-N 1 2 365.441 2.388 20 30 FEEDLO C=C[C@H](CC(=O)N1CC[C@H]([N@H+](C)Cc2nccc(N)n2)C1)c1ccccc1 ZINC000276647959 519300655 /nfs/dbraw/zinc/30/06/55/519300655.db2.gz YANBNHMVBNKZOK-AEFFLSMTSA-N 1 2 365.481 2.451 20 30 FEEDLO C=C[C@H](CC(=O)N1CC[C@H]([N@@H+](C)Cc2nccc(N)n2)C1)c1ccccc1 ZINC000276647959 519300661 /nfs/dbraw/zinc/30/06/61/519300661.db2.gz YANBNHMVBNKZOK-AEFFLSMTSA-N 1 2 365.481 2.451 20 30 FEEDLO CCN(C[C@H](C)C#N)C(=O)CN1CCC[C@@H]1c1[nH+]c2c(n1C)CCCC2 ZINC000275988318 521234735 /nfs/dbraw/zinc/23/47/35/521234735.db2.gz OQGQCRXPNQZKEH-CRAIPNDOSA-N 1 2 357.502 2.444 20 30 FEEDLO C[N@H+](Cc1nccs1)[C@H]1CC12CCN(C(=O)c1c[nH]c(C#N)c1)CC2 ZINC000275518867 523605967 /nfs/dbraw/zinc/60/59/67/523605967.db2.gz CDFXIOMTIBWPTN-HNNXBMFYSA-N 1 2 355.467 2.470 20 30 FEEDLO C[N@@H+](Cc1nccs1)[C@H]1CC12CCN(C(=O)c1c[nH]c(C#N)c1)CC2 ZINC000275518867 523605975 /nfs/dbraw/zinc/60/59/75/523605975.db2.gz CDFXIOMTIBWPTN-HNNXBMFYSA-N 1 2 355.467 2.470 20 30 FEEDLO CC(C)C(=O)NCC[N@H+](C)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000157510709 545750636 /nfs/dbraw/zinc/75/06/36/545750636.db2.gz GFSHWCXPRGRDHN-UHFFFAOYSA-N 1 2 364.877 2.291 20 30 FEEDLO CC(C)C(=O)NCC[N@@H+](C)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000157510709 545750641 /nfs/dbraw/zinc/75/06/41/545750641.db2.gz GFSHWCXPRGRDHN-UHFFFAOYSA-N 1 2 364.877 2.291 20 30 FEEDLO CO[C@@H]1CC[C@@H]2OCC[N@H+](CC(=O)N(CCC#N)c3ccccc3)[C@@H]2C1 ZINC000158043530 545816599 /nfs/dbraw/zinc/81/65/99/545816599.db2.gz LZHJJFVOUMBWIJ-QRVBRYPASA-N 1 2 357.454 2.202 20 30 FEEDLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](CC(=O)N(CCC#N)c3ccccc3)[C@@H]2C1 ZINC000158043530 545816603 /nfs/dbraw/zinc/81/66/03/545816603.db2.gz LZHJJFVOUMBWIJ-QRVBRYPASA-N 1 2 357.454 2.202 20 30 FEEDLO CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160090523 546006652 /nfs/dbraw/zinc/00/66/52/546006652.db2.gz IYFQXOXFFGLSJA-UHFFFAOYSA-N 1 2 364.449 2.455 20 30 FEEDLO C=CCNC(=O)C[NH+]1CCN([C@@H](C)c2cccc(Br)c2)CC1 ZINC000169208190 546159771 /nfs/dbraw/zinc/15/97/71/546159771.db2.gz YRXMJALGHGSESW-AWEZNQCLSA-N 1 2 366.303 2.430 20 30 FEEDLO CC[C@@H](C)NC(=O)CO[NH+]=C(N)c1cccc(Cn2nc(C)cc2C)c1 ZINC000170641669 546168182 /nfs/dbraw/zinc/16/81/82/546168182.db2.gz WQRUNEOFXJMAAI-CYBMUJFWSA-N 1 2 357.458 2.100 20 30 FEEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000171223854 546198485 /nfs/dbraw/zinc/19/84/85/546198485.db2.gz CYEHCEAMVDURNR-UHFFFAOYSA-N 1 2 356.470 2.367 20 30 FEEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000171223854 546198490 /nfs/dbraw/zinc/19/84/90/546198490.db2.gz CYEHCEAMVDURNR-UHFFFAOYSA-N 1 2 356.470 2.367 20 30 FEEDLO C=CC[NH+]1CCC(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000171536459 546212710 /nfs/dbraw/zinc/21/27/10/546212710.db2.gz IBYLRGFBILCGJL-UHFFFAOYSA-N 1 2 359.835 2.177 20 30 FEEDLO Cc1cc(C)n(-c2ccc(C(N)=[NH+]OCc3ccn(C(C)C)n3)cn2)n1 ZINC000172331018 546247828 /nfs/dbraw/zinc/24/78/28/546247828.db2.gz HPMFWYOIDVJYJL-UHFFFAOYSA-N 1 2 353.430 2.499 20 30 FEEDLO N#CCCN(CCC(=O)Nc1cccc(Cl)c1)CC[NH+]1CCOCC1 ZINC000174831094 546303637 /nfs/dbraw/zinc/30/36/37/546303637.db2.gz SVJKHCUPWGSPMD-UHFFFAOYSA-N 1 2 364.877 2.216 20 30 FEEDLO N#CCC[N@@H+](CCC(=O)Nc1cccc(Cl)c1)CCN1CCOCC1 ZINC000174831094 546303639 /nfs/dbraw/zinc/30/36/39/546303639.db2.gz SVJKHCUPWGSPMD-UHFFFAOYSA-N 1 2 364.877 2.216 20 30 FEEDLO N#CCC[N@H+](CCC(=O)Nc1cccc(Cl)c1)CCN1CCOCC1 ZINC000174831094 546303641 /nfs/dbraw/zinc/30/36/41/546303641.db2.gz SVJKHCUPWGSPMD-UHFFFAOYSA-N 1 2 364.877 2.216 20 30 FEEDLO N#CCCN(CCC#N)C(=O)C[N@@H+]1CCC[C@@H]1CC(=O)c1cccs1 ZINC000177401329 546610974 /nfs/dbraw/zinc/61/09/74/546610974.db2.gz QNZOXNFMFOWFDL-OAHLLOKOSA-N 1 2 358.467 2.441 20 30 FEEDLO N#CCCN(CCC#N)C(=O)C[N@H+]1CCC[C@@H]1CC(=O)c1cccs1 ZINC000177401329 546610977 /nfs/dbraw/zinc/61/09/77/546610977.db2.gz QNZOXNFMFOWFDL-OAHLLOKOSA-N 1 2 358.467 2.441 20 30 FEEDLO CO[C@H](C)c1noc(CN2CCC[N@H+](Cc3ccccc3C#N)CC2)n1 ZINC000177462122 546624360 /nfs/dbraw/zinc/62/43/60/546624360.db2.gz CIPHTAFUWUFXDV-OAHLLOKOSA-N 1 2 355.442 2.357 20 30 FEEDLO CO[C@H](C)c1noc(CN2CCC[N@@H+](Cc3ccccc3C#N)CC2)n1 ZINC000177462122 546624366 /nfs/dbraw/zinc/62/43/66/546624366.db2.gz CIPHTAFUWUFXDV-OAHLLOKOSA-N 1 2 355.442 2.357 20 30 FEEDLO N#Cc1ccc(NC(=O)CN(CC[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000177652511 546660721 /nfs/dbraw/zinc/66/07/21/546660721.db2.gz CDDHTNQEKIOUCF-UHFFFAOYSA-N 1 2 364.449 2.336 20 30 FEEDLO C=CCOc1cccc(C[NH+]2CCN([C@H](C)C(=O)N3CCCC3)CC2)c1 ZINC000180176572 547062721 /nfs/dbraw/zinc/06/27/21/547062721.db2.gz MUTJEUCZAAQMSO-GOSISDBHSA-N 1 2 357.498 2.380 20 30 FEEDLO C=CCOc1cccc(CN2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)c1 ZINC000180176572 547062723 /nfs/dbraw/zinc/06/27/23/547062723.db2.gz MUTJEUCZAAQMSO-GOSISDBHSA-N 1 2 357.498 2.380 20 30 FEEDLO Cc1nc(CC(N)=[NH+]O[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cs1 ZINC000180363279 547092645 /nfs/dbraw/zinc/09/26/45/547092645.db2.gz SJKWICRWLVDAQR-MRXNPFEDSA-N 1 2 369.450 2.350 20 30 FEEDLO CCn1cc(C[N@H+](CCO)Cc2ccc(C#N)cc2OC(F)F)cn1 ZINC000482901098 561262520 /nfs/dbraw/zinc/26/25/20/561262520.db2.gz MEUPWDZVWFWRQS-UHFFFAOYSA-N 1 2 350.369 2.371 20 30 FEEDLO CCn1cc(C[N@@H+](CCO)Cc2ccc(C#N)cc2OC(F)F)cn1 ZINC000482901098 561262521 /nfs/dbraw/zinc/26/25/21/561262521.db2.gz MEUPWDZVWFWRQS-UHFFFAOYSA-N 1 2 350.369 2.371 20 30 FEEDLO C=CCCC[C@H](C)NC(=O)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000180966116 547221146 /nfs/dbraw/zinc/22/11/46/547221146.db2.gz YXDHYSNTBOBHMF-AWEZNQCLSA-N 1 2 360.458 2.026 20 30 FEEDLO Cc1oc(NC(=O)[C@@H](C)[NH+]2CCC(O[C@H]3CCOC3)CC2)c(C#N)c1C ZINC000483056329 561266246 /nfs/dbraw/zinc/26/62/46/561266246.db2.gz ONACXJGJEOOITA-CJNGLKHVSA-N 1 2 361.442 2.365 20 30 FEEDLO CC1(C)C[C@]1(C#N)NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000484901433 561308301 /nfs/dbraw/zinc/30/83/01/561308301.db2.gz SJABMOHRRSCNRF-LJQANCHMSA-N 1 2 351.410 2.334 20 30 FEEDLO N#Cc1ccc(N2C(=O)C[C@@H]([N@@H+]3CC[C@]4(C3)OCc3ccccc34)C2=O)cc1 ZINC000184562753 547845736 /nfs/dbraw/zinc/84/57/36/547845736.db2.gz IIBFODLOSOAKDJ-DENIHFKCSA-N 1 2 373.412 2.322 20 30 FEEDLO N#Cc1ccc(N2C(=O)C[C@@H]([N@H+]3CC[C@]4(C3)OCc3ccccc34)C2=O)cc1 ZINC000184562753 547845740 /nfs/dbraw/zinc/84/57/40/547845740.db2.gz IIBFODLOSOAKDJ-DENIHFKCSA-N 1 2 373.412 2.322 20 30 FEEDLO C=C(C)C[C@@H](C)C(=O)Nc1ccc(C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000185498485 547992719 /nfs/dbraw/zinc/99/27/19/547992719.db2.gz WRPQEJCZFGOFHQ-MRXNPFEDSA-N 1 2 359.470 2.289 20 30 FEEDLO C=CCCO[C@@H](C)C(=O)Nc1ccccc1C[NH+]1CCN(C(C)=O)CC1 ZINC000186621639 548160343 /nfs/dbraw/zinc/16/03/43/548160343.db2.gz QZRCTZIEFHYOMV-INIZCTEOSA-N 1 2 359.470 2.270 20 30 FEEDLO COc1cc(C#N)cc(OCC(=O)N2CC[NH+](Cc3ccsc3)CC2)c1 ZINC000486081573 561337623 /nfs/dbraw/zinc/33/76/23/561337623.db2.gz RFAZQUJNJMZSFI-UHFFFAOYSA-N 1 2 371.462 2.352 20 30 FEEDLO C=C[C@@](C)(CC)C(=O)N1CC[NH+](CCNC(=O)c2ccccc2F)CC1 ZINC000188365684 548277297 /nfs/dbraw/zinc/27/72/97/548277297.db2.gz KFEQNORHISWQTC-FQEVSTJZSA-N 1 2 361.461 2.302 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000189499691 548303917 /nfs/dbraw/zinc/30/39/17/548303917.db2.gz IEJONFPIYFSVMQ-UHFFFAOYSA-N 1 2 371.460 2.118 20 30 FEEDLO COCCO[C@H]1CC[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000189666416 548307503 /nfs/dbraw/zinc/30/75/03/548307503.db2.gz VQQUDDZKOKIXAX-INIZCTEOSA-N 1 2 355.438 2.475 20 30 FEEDLO COCCO[C@H]1CC[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000189666416 548307506 /nfs/dbraw/zinc/30/75/06/548307506.db2.gz VQQUDDZKOKIXAX-INIZCTEOSA-N 1 2 355.438 2.475 20 30 FEEDLO N#CCOc1ccc(CNc2cc(N3CCCC[C@H]3CO)nc[nH+]2)cc1 ZINC000192302120 548362971 /nfs/dbraw/zinc/36/29/71/548362971.db2.gz YOMZQDKEVZLWJB-INIZCTEOSA-N 1 2 353.426 2.342 20 30 FEEDLO N#CCOc1ccc(CNc2cc(N3CCCC[C@H]3CO)[nH+]cn2)cc1 ZINC000192302120 548362976 /nfs/dbraw/zinc/36/29/76/548362976.db2.gz YOMZQDKEVZLWJB-INIZCTEOSA-N 1 2 353.426 2.342 20 30 FEEDLO C[C@]([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)(C(N)=O)c1ccccc1 ZINC000195225008 548598825 /nfs/dbraw/zinc/59/88/25/548598825.db2.gz CKVSNLCEJNYDFK-GOSISDBHSA-N 1 2 356.813 2.140 20 30 FEEDLO Cc1nc(C[C@H]2CCC[N@@H+]([C@H]3CCN(c4sccc4C#N)C3=O)C2)no1 ZINC000246600007 549171823 /nfs/dbraw/zinc/17/18/23/549171823.db2.gz XKBHAJOLLVMWJW-HIFRSBDPSA-N 1 2 371.466 2.371 20 30 FEEDLO Cc1nc(C[C@H]2CCC[N@H+]([C@H]3CCN(c4sccc4C#N)C3=O)C2)no1 ZINC000246600007 549171827 /nfs/dbraw/zinc/17/18/27/549171827.db2.gz XKBHAJOLLVMWJW-HIFRSBDPSA-N 1 2 371.466 2.371 20 30 FEEDLO CCCCNc1cc(N2CC[C@H](Oc3ccc(C#N)cn3)C2)nc(N)[nH+]1 ZINC000489001147 561401270 /nfs/dbraw/zinc/40/12/70/561401270.db2.gz HVYKOXQHLPQJSV-AWEZNQCLSA-N 1 2 353.430 2.195 20 30 FEEDLO CCCCNc1cc(N2CC[C@H](Oc3ccc(C#N)cn3)C2)[nH+]c(N)n1 ZINC000489001147 561401271 /nfs/dbraw/zinc/40/12/71/561401271.db2.gz HVYKOXQHLPQJSV-AWEZNQCLSA-N 1 2 353.430 2.195 20 30 FEEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000247069946 549275880 /nfs/dbraw/zinc/27/58/80/549275880.db2.gz IUSNOXQYMQLJRW-BHIYHBOVSA-N 1 2 357.454 2.202 20 30 FEEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000247069946 549275883 /nfs/dbraw/zinc/27/58/83/549275883.db2.gz IUSNOXQYMQLJRW-BHIYHBOVSA-N 1 2 357.454 2.202 20 30 FEEDLO C=CCn1cccc1C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000489079296 561402852 /nfs/dbraw/zinc/40/28/52/561402852.db2.gz PKRUTUPWHLSXJI-UHFFFAOYSA-N 1 2 369.465 2.315 20 30 FEEDLO COC(=O)[C@H]1CC[N@H+](Cc2ccccc2C(C)(C)C#N)[C@H](C(=O)OC)C1 ZINC000248604217 549466851 /nfs/dbraw/zinc/46/68/51/549466851.db2.gz VBLUCXCJBHIPEP-YOEHRIQHSA-N 1 2 358.438 2.414 20 30 FEEDLO COC(=O)[C@H]1CC[N@@H+](Cc2ccccc2C(C)(C)C#N)[C@H](C(=O)OC)C1 ZINC000248604217 549466853 /nfs/dbraw/zinc/46/68/53/549466853.db2.gz VBLUCXCJBHIPEP-YOEHRIQHSA-N 1 2 358.438 2.414 20 30 FEEDLO CO[C@@H]1CC[C@@H]2OCC[N@@H+]([C@H]3CCCN(c4ccc(C#N)cc4)C3=O)[C@H]2C1 ZINC000248734751 549492612 /nfs/dbraw/zinc/49/26/12/549492612.db2.gz KKHOSXYXWAJQQX-FYQPLNBISA-N 1 2 369.465 2.322 20 30 FEEDLO CO[C@@H]1CC[C@@H]2OCC[N@H+]([C@H]3CCCN(c4ccc(C#N)cc4)C3=O)[C@H]2C1 ZINC000248734751 549492616 /nfs/dbraw/zinc/49/26/16/549492616.db2.gz KKHOSXYXWAJQQX-FYQPLNBISA-N 1 2 369.465 2.322 20 30 FEEDLO COCC[N@H+](CC(=O)Nc1sc(C)c(C)c1C#N)[C@@H]1CCO[C@H]1C ZINC000489514048 561413214 /nfs/dbraw/zinc/41/32/14/561413214.db2.gz PZJJJDACVCJULI-SWLSCSKDSA-N 1 2 351.472 2.301 20 30 FEEDLO COCC[N@@H+](CC(=O)Nc1sc(C)c(C)c1C#N)[C@@H]1CCO[C@H]1C ZINC000489514048 561413215 /nfs/dbraw/zinc/41/32/15/561413215.db2.gz PZJJJDACVCJULI-SWLSCSKDSA-N 1 2 351.472 2.301 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CC[C@@H](C)C[C@H]2C(N)=O)c1 ZINC000249602505 549610190 /nfs/dbraw/zinc/61/01/90/549610190.db2.gz YTCJSYGNEXMZLB-KDOFPFPSSA-N 1 2 356.470 2.136 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H](C)C[C@H]2C(N)=O)c1 ZINC000249602505 549610193 /nfs/dbraw/zinc/61/01/93/549610193.db2.gz YTCJSYGNEXMZLB-KDOFPFPSSA-N 1 2 356.470 2.136 20 30 FEEDLO CC(=O)N[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000249683471 549615270 /nfs/dbraw/zinc/61/52/70/549615270.db2.gz IQUWVVYSEWEERW-WCQYABFASA-N 1 2 360.483 2.036 20 30 FEEDLO CC(=O)N[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000249683471 549615273 /nfs/dbraw/zinc/61/52/73/549615273.db2.gz IQUWVVYSEWEERW-WCQYABFASA-N 1 2 360.483 2.036 20 30 FEEDLO COCC[N@H+](CC(=O)N(CCC#N)c1cccc(C)c1C)[C@@H]1CCOC1 ZINC000490038711 561425121 /nfs/dbraw/zinc/42/51/21/561425121.db2.gz KVCOFFRGFZPSHV-GOSISDBHSA-N 1 2 359.470 2.287 20 30 FEEDLO COCC[N@@H+](CC(=O)N(CCC#N)c1cccc(C)c1C)[C@@H]1CCOC1 ZINC000490038711 561425122 /nfs/dbraw/zinc/42/51/22/561425122.db2.gz KVCOFFRGFZPSHV-GOSISDBHSA-N 1 2 359.470 2.287 20 30 FEEDLO N#CCCN(CCC#N)C(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000490848314 561438971 /nfs/dbraw/zinc/43/89/71/561438971.db2.gz VTPCXZVHUHPOIK-UHFFFAOYSA-N 1 2 355.398 2.215 20 30 FEEDLO N#CCCN(CCC#N)C(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000490848314 561438972 /nfs/dbraw/zinc/43/89/72/561438972.db2.gz VTPCXZVHUHPOIK-UHFFFAOYSA-N 1 2 355.398 2.215 20 30 FEEDLO C=CCOCCCC(=O)N1CC[NH+](Cc2cc(OC)cc(OC)c2)CC1 ZINC000266974093 550025660 /nfs/dbraw/zinc/02/56/60/550025660.db2.gz UZXTYDFUWVMUJE-UHFFFAOYSA-N 1 2 362.470 2.331 20 30 FEEDLO C[C@H]1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000268333493 550051106 /nfs/dbraw/zinc/05/11/06/550051106.db2.gz NEWTZUWGXYJWQU-BLLLJJGKSA-N 1 2 371.828 2.456 20 30 FEEDLO COCC1(C#N)CCN(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)CC1 ZINC000492443461 561451348 /nfs/dbraw/zinc/45/13/48/561451348.db2.gz IOQJAQMFEIZALT-UHFFFAOYSA-N 1 2 354.414 2.110 20 30 FEEDLO CC(=O)c1ccc(NC(=O)[C@@H](C)O[NH+]=C(N)c2ccc3c(c2)CCO3)cc1 ZINC000269886582 550233722 /nfs/dbraw/zinc/23/37/22/550233722.db2.gz UXTAAOPGYOKLEQ-CYBMUJFWSA-N 1 2 367.405 2.488 20 30 FEEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC[C@@H](N2CCCC2=O)C1 ZINC000270483794 550276398 /nfs/dbraw/zinc/27/63/98/550276398.db2.gz ACRANRCLZPLAMK-IUODEOHRSA-N 1 2 360.845 2.235 20 30 FEEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@@H](N2CCCC2=O)C1 ZINC000270483794 550276399 /nfs/dbraw/zinc/27/63/99/550276399.db2.gz ACRANRCLZPLAMK-IUODEOHRSA-N 1 2 360.845 2.235 20 30 FEEDLO C=C(C)COc1cc(C[N@H+](CCOC)CC(=O)N(C)C)ccc1OC ZINC000271106916 550340884 /nfs/dbraw/zinc/34/08/84/550340884.db2.gz WSKMPIMIMHKOHU-UHFFFAOYSA-N 1 2 350.459 2.187 20 30 FEEDLO C=C(C)COc1cc(C[N@@H+](CCOC)CC(=O)N(C)C)ccc1OC ZINC000271106916 550340886 /nfs/dbraw/zinc/34/08/86/550340886.db2.gz WSKMPIMIMHKOHU-UHFFFAOYSA-N 1 2 350.459 2.187 20 30 FEEDLO C#CCCN1CC[NH+](C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000271997957 550415414 /nfs/dbraw/zinc/41/54/14/550415414.db2.gz GNXJFBSBLYWPCK-HNNXBMFYSA-N 1 2 357.281 2.374 20 30 FEEDLO Cc1cc(NC(=O)C[NH+]2CCC(C)(C#N)CC2)n(-c2nc(C)cc(C)n2)n1 ZINC000272569184 550458455 /nfs/dbraw/zinc/45/84/55/550458455.db2.gz MVMZGNCVHPOJHF-UHFFFAOYSA-N 1 2 367.457 2.152 20 30 FEEDLO COc1ccc(OCCO[NH+]=C(N)Cc2csc(C)n2)c([N+](=O)[O-])c1 ZINC000272926739 550477177 /nfs/dbraw/zinc/47/71/77/550477177.db2.gz RNQFYJNWGWCYML-UHFFFAOYSA-N 1 2 366.399 2.279 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCC(Oc2cncc(Cl)n2)CC1 ZINC000275043351 550570330 /nfs/dbraw/zinc/57/03/30/550570330.db2.gz HZQUHXLYISWHGR-QGZVFWFLSA-N 1 2 365.865 2.028 20 30 FEEDLO N#Cc1ccccc1N1CCN(c2cc(N3CCSCC3)[nH+]cn2)CC1 ZINC000277491823 550676861 /nfs/dbraw/zinc/67/68/61/550676861.db2.gz QLWWCKFRBQGLIX-UHFFFAOYSA-N 1 2 366.494 2.228 20 30 FEEDLO N#Cc1ccccc1N1CCN(c2cc(N3CCSCC3)nc[nH+]2)CC1 ZINC000277491823 550676863 /nfs/dbraw/zinc/67/68/63/550676863.db2.gz QLWWCKFRBQGLIX-UHFFFAOYSA-N 1 2 366.494 2.228 20 30 FEEDLO C[C@H](CC#N)NC(=O)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000278767646 550819708 /nfs/dbraw/zinc/81/97/08/550819708.db2.gz VXCSTZTZXLLRTP-CYBMUJFWSA-N 1 2 351.410 2.243 20 30 FEEDLO C=CCc1cc(C(=O)N(C)[C@H](C)C[NH+]2CCOCC2)cc(OC)c1OC ZINC000279070187 550853181 /nfs/dbraw/zinc/85/31/81/550853181.db2.gz FDXUBHBGGCZRHO-OAHLLOKOSA-N 1 2 362.470 2.225 20 30 FEEDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000279374633 550882696 /nfs/dbraw/zinc/88/26/96/550882696.db2.gz SYQDQWBRAPIDOQ-AWEZNQCLSA-N 1 2 354.410 2.006 20 30 FEEDLO C=CCSc1ccccc1NC(=O)C[NH2+]C1(CO)COC(C)(C)OC1 ZINC000279400647 550886116 /nfs/dbraw/zinc/88/61/16/550886116.db2.gz ZNXWUYZDLUGWAX-UHFFFAOYSA-N 1 2 366.483 2.007 20 30 FEEDLO C#CCn1ccc(C[N@@H+](CC)[C@H](C)C(=O)NCCc2ccccc2C)n1 ZINC000279679286 550915956 /nfs/dbraw/zinc/91/59/56/550915956.db2.gz GLAGEUBFFWQALP-GOSISDBHSA-N 1 2 352.482 2.394 20 30 FEEDLO C#CCn1ccc(C[N@H+](CC)[C@H](C)C(=O)NCCc2ccccc2C)n1 ZINC000279679286 550915957 /nfs/dbraw/zinc/91/59/57/550915957.db2.gz GLAGEUBFFWQALP-GOSISDBHSA-N 1 2 352.482 2.394 20 30 FEEDLO Cc1oc(NC(=O)[C@H](C)[N@H+](C)CCN2CCOC(C)(C)C2)c(C#N)c1C ZINC000279779176 550928241 /nfs/dbraw/zinc/92/82/41/550928241.db2.gz UDWQRWFJSXSPDD-AWEZNQCLSA-N 1 2 362.474 2.138 20 30 FEEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+](C)CCN2CCOC(C)(C)C2)c(C#N)c1C ZINC000279779176 550928243 /nfs/dbraw/zinc/92/82/43/550928243.db2.gz UDWQRWFJSXSPDD-AWEZNQCLSA-N 1 2 362.474 2.138 20 30 FEEDLO C#CCn1ccc(C[N@@H+](CC)[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)n1 ZINC000279792640 550929240 /nfs/dbraw/zinc/92/92/40/550929240.db2.gz VUCKVUMUYHLCFM-HXUWFJFHSA-N 1 2 361.449 2.405 20 30 FEEDLO C#CCn1ccc(C[N@H+](CC)[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)n1 ZINC000279792640 550929241 /nfs/dbraw/zinc/92/92/41/550929241.db2.gz VUCKVUMUYHLCFM-HXUWFJFHSA-N 1 2 361.449 2.405 20 30 FEEDLO C[C@H](C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)N(C)CC(F)(F)F ZINC000280241759 550974001 /nfs/dbraw/zinc/97/40/01/550974001.db2.gz LEDRZIBFXAFPIH-CQSZACIVSA-N 1 2 368.403 2.085 20 30 FEEDLO N#Cc1ccc(NC(=O)C[N@@H+](CCCO)Cc2ccccn2)cc1Cl ZINC000281057255 551059087 /nfs/dbraw/zinc/05/90/87/551059087.db2.gz RLNSKFQJQYQSKQ-UHFFFAOYSA-N 1 2 358.829 2.430 20 30 FEEDLO N#Cc1ccc(NC(=O)C[N@H+](CCCO)Cc2ccccn2)cc1Cl ZINC000281057255 551059089 /nfs/dbraw/zinc/05/90/89/551059089.db2.gz RLNSKFQJQYQSKQ-UHFFFAOYSA-N 1 2 358.829 2.430 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000281314340 551083661 /nfs/dbraw/zinc/08/36/61/551083661.db2.gz IOBKFZUKFXOCIQ-PBHICJAKSA-N 1 2 356.382 2.492 20 30 FEEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1=O ZINC000281325887 551084704 /nfs/dbraw/zinc/08/47/04/551084704.db2.gz LPEPWZZZRXLILX-ZEVUXNIQSA-N 1 2 360.502 2.024 20 30 FEEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1=O ZINC000281325887 551084705 /nfs/dbraw/zinc/08/47/05/551084705.db2.gz LPEPWZZZRXLILX-ZEVUXNIQSA-N 1 2 360.502 2.024 20 30 FEEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)C1=O ZINC000281919064 551157803 /nfs/dbraw/zinc/15/78/03/551157803.db2.gz GZZOERISUIMOIW-AWEZNQCLSA-N 1 2 371.359 2.242 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)C1=O ZINC000281919064 551157805 /nfs/dbraw/zinc/15/78/05/551157805.db2.gz GZZOERISUIMOIW-AWEZNQCLSA-N 1 2 371.359 2.242 20 30 FEEDLO N#CC1CCC(CNC(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000281982221 551165457 /nfs/dbraw/zinc/16/54/57/551165457.db2.gz MLNULPVWFYXXPO-UHFFFAOYSA-N 1 2 351.410 2.257 20 30 FEEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H]2CCCCO2)CC1 ZINC000282879295 551281182 /nfs/dbraw/zinc/28/11/82/551281182.db2.gz CPNOHKLIZJVNCU-KRWDZBQOSA-N 1 2 369.469 2.171 20 30 FEEDLO N#Cc1ccc(OC2CCN(C(=O)NCCn3cc[nH+]c3)CC2)c(F)c1 ZINC000285166980 551714291 /nfs/dbraw/zinc/71/42/91/551714291.db2.gz SYQGUPDWSLJXHE-UHFFFAOYSA-N 1 2 357.389 2.147 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000498913563 561537708 /nfs/dbraw/zinc/53/77/08/561537708.db2.gz AFRBAQNFTICGJY-MUKKUYKPSA-N 1 2 358.490 2.304 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000498913563 561537709 /nfs/dbraw/zinc/53/77/09/561537709.db2.gz AFRBAQNFTICGJY-MUKKUYKPSA-N 1 2 358.490 2.304 20 30 FEEDLO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN(c3ccc(C#N)nc3)C2)CC1 ZINC000286339339 551876249 /nfs/dbraw/zinc/87/62/49/551876249.db2.gz JPQFIJKRQJWEAU-KRWDZBQOSA-N 1 2 357.458 2.085 20 30 FEEDLO N#CCCN(C(=O)C[N@@H+]1CC[C@H](C(F)(F)F)[C@H](CO)C1)c1ccccc1 ZINC000286403395 551883651 /nfs/dbraw/zinc/88/36/51/551883651.db2.gz HOESWLRHERQJFQ-HOCLYGCPSA-N 1 2 369.387 2.426 20 30 FEEDLO N#CCCN(C(=O)C[N@H+]1CC[C@H](C(F)(F)F)[C@H](CO)C1)c1ccccc1 ZINC000286403395 551883652 /nfs/dbraw/zinc/88/36/52/551883652.db2.gz HOESWLRHERQJFQ-HOCLYGCPSA-N 1 2 369.387 2.426 20 30 FEEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CC[C@H](C(F)(F)F)[C@H](CO)C2)C1=O ZINC000286529866 551896666 /nfs/dbraw/zinc/89/66/66/551896666.db2.gz NNSLXOLNDODWET-AVGNSLFASA-N 1 2 373.400 2.218 20 30 FEEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CC[C@H](C(F)(F)F)[C@H](CO)C2)C1=O ZINC000286529866 551896668 /nfs/dbraw/zinc/89/66/68/551896668.db2.gz NNSLXOLNDODWET-AVGNSLFASA-N 1 2 373.400 2.218 20 30 FEEDLO CNC(=O)OC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1sc(C)c(C)c1C#N ZINC000286975145 551946882 /nfs/dbraw/zinc/94/68/82/551946882.db2.gz OFTRNAOJHVJZQM-ZDUSSCGKSA-N 1 2 364.471 2.386 20 30 FEEDLO CNC(=O)OC[C@@H]1CCCC[N@H+]1CC(=O)Nc1sc(C)c(C)c1C#N ZINC000286975145 551946884 /nfs/dbraw/zinc/94/68/84/551946884.db2.gz OFTRNAOJHVJZQM-ZDUSSCGKSA-N 1 2 364.471 2.386 20 30 FEEDLO N#Cc1nc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)[nH]c1C#N ZINC000287686987 552034467 /nfs/dbraw/zinc/03/44/67/552034467.db2.gz SYKSHQMIVOIINA-ZDUSSCGKSA-N 1 2 370.363 2.249 20 30 FEEDLO N#Cc1nc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)[nH]c1C#N ZINC000287686987 552034468 /nfs/dbraw/zinc/03/44/68/552034468.db2.gz SYKSHQMIVOIINA-ZDUSSCGKSA-N 1 2 370.363 2.249 20 30 FEEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Nc1ncccc1OCCCC#N ZINC000287719789 552038232 /nfs/dbraw/zinc/03/82/32/552038232.db2.gz VKTLUYDHPNMBLV-CVEARBPZSA-N 1 2 373.457 2.091 20 30 FEEDLO CCC[C@@]1(CO)CC[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 ZINC000288773678 552210008 /nfs/dbraw/zinc/21/00/08/552210008.db2.gz JVUNOOKYOCLPJQ-HXUWFJFHSA-N 1 2 367.453 2.167 20 30 FEEDLO CCC[C@@]1(CO)CC[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 ZINC000288773678 552210010 /nfs/dbraw/zinc/21/00/10/552210010.db2.gz JVUNOOKYOCLPJQ-HXUWFJFHSA-N 1 2 367.453 2.167 20 30 FEEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)Nc2cccc(C(F)(F)F)c2)C1=O ZINC000500023190 561564338 /nfs/dbraw/zinc/56/43/38/561564338.db2.gz GMJGGFBULAHUKY-CQSZACIVSA-N 1 2 355.360 2.363 20 30 FEEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)Nc2cccc(C(F)(F)F)c2)C1=O ZINC000500023190 561564339 /nfs/dbraw/zinc/56/43/39/561564339.db2.gz GMJGGFBULAHUKY-CQSZACIVSA-N 1 2 355.360 2.363 20 30 FEEDLO C=CCn1c(C2CC2)nnc1N1CC[NH+](Cc2cn3ccccc3n2)CC1 ZINC000289838942 552386833 /nfs/dbraw/zinc/38/68/33/552386833.db2.gz XFHRGFJUEBMOQU-UHFFFAOYSA-N 1 2 363.469 2.311 20 30 FEEDLO Cn1c2c([nH+]c1[C@@H]1CCCN1S(=O)(=O)c1cncc(C#N)c1)CCCC2 ZINC000290111923 552429071 /nfs/dbraw/zinc/42/90/71/552429071.db2.gz JUAFJOAYKZKZRN-KRWDZBQOSA-N 1 2 371.466 2.091 20 30 FEEDLO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCN(Cc3ccc(C#N)o3)CC2)C1 ZINC000290238237 552446969 /nfs/dbraw/zinc/44/69/69/552446969.db2.gz UKHDCOMHKUNDGA-HNNXBMFYSA-N 1 2 360.458 2.278 20 30 FEEDLO C=C[C@@](C)(O)CC(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000290346101 552464251 /nfs/dbraw/zinc/46/42/51/552464251.db2.gz CXLDYIBNOHSRQO-OAHLLOKOSA-N 1 2 352.232 2.349 20 30 FEEDLO N#Cc1ccc(O[C@H]2CC[N@@H+]([C@H]3CCN(c4ccccc4F)C3=O)C2)nc1 ZINC000292121788 552696030 /nfs/dbraw/zinc/69/60/30/552696030.db2.gz IBAYOMMWPXLMEK-YJBOKZPZSA-N 1 2 366.396 2.351 20 30 FEEDLO N#Cc1ccc(O[C@H]2CC[N@H+]([C@H]3CCN(c4ccccc4F)C3=O)C2)nc1 ZINC000292121788 552696032 /nfs/dbraw/zinc/69/60/32/552696032.db2.gz IBAYOMMWPXLMEK-YJBOKZPZSA-N 1 2 366.396 2.351 20 30 FEEDLO Cc1[nH+]c2ccccc2n1CC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292293892 552713158 /nfs/dbraw/zinc/71/31/58/552713158.db2.gz HQSSERUFZFQBPM-INIZCTEOSA-N 1 2 361.405 2.291 20 30 FEEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292312379 552714796 /nfs/dbraw/zinc/71/47/96/552714796.db2.gz VKWYBDKDNZUKFM-RDTXWAMCSA-N 1 2 361.405 2.305 20 30 FEEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292312379 552714798 /nfs/dbraw/zinc/71/47/98/552714798.db2.gz VKWYBDKDNZUKFM-RDTXWAMCSA-N 1 2 361.405 2.305 20 30 FEEDLO Cc1nc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)c(Cl)cc1C#N ZINC000292493117 552731955 /nfs/dbraw/zinc/73/19/55/552731955.db2.gz FDZSJLKDFWZVIG-AWEZNQCLSA-N 1 2 361.877 2.048 20 30 FEEDLO N#Cc1cc(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cnc1C(F)(F)F ZINC000293643265 552843285 /nfs/dbraw/zinc/84/32/85/552843285.db2.gz UTPLIAJXQKVCMD-CYBMUJFWSA-N 1 2 361.327 2.376 20 30 FEEDLO C[N@H+](CCOCCC#N)Cc1cn(-c2cccc(Br)c2)nn1 ZINC000294269539 552892824 /nfs/dbraw/zinc/89/28/24/552892824.db2.gz VLSYYRGIDDDWEW-UHFFFAOYSA-N 1 2 364.247 2.392 20 30 FEEDLO C[N@@H+](CCOCCC#N)Cc1cn(-c2cccc(Br)c2)nn1 ZINC000294269539 552892825 /nfs/dbraw/zinc/89/28/25/552892825.db2.gz VLSYYRGIDDDWEW-UHFFFAOYSA-N 1 2 364.247 2.392 20 30 FEEDLO COc1cc(CC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)ccc1O ZINC000294317762 552896629 /nfs/dbraw/zinc/89/66/29/552896629.db2.gz JRCFEYCOQQQPKX-UHFFFAOYSA-N 1 2 365.433 2.159 20 30 FEEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502165265 561613188 /nfs/dbraw/zinc/61/31/88/561613188.db2.gz CRRWOZPOBJLTIG-MRXNPFEDSA-N 1 2 354.454 2.078 20 30 FEEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502165265 561613189 /nfs/dbraw/zinc/61/31/89/561613189.db2.gz CRRWOZPOBJLTIG-MRXNPFEDSA-N 1 2 354.454 2.078 20 30 FEEDLO CCOC(=O)C1([S@@](C)=O)CC[NH+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000295573111 553027415 /nfs/dbraw/zinc/02/74/15/553027415.db2.gz LPAIESKIVZZOSZ-XMMPIXPASA-N 1 2 367.898 2.468 20 30 FEEDLO C=CCn1c([C@H]2CCCCO2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000296029807 553092227 /nfs/dbraw/zinc/09/22/27/553092227.db2.gz SSFRQIJIDOEBLD-MRXNPFEDSA-N 1 2 369.473 2.131 20 30 FEEDLO Cc1cccc(NC(=O)C(=O)N2CC(C)(C)[C@H]2c2[nH+]ccn2C)c1C#N ZINC000296057448 553097612 /nfs/dbraw/zinc/09/76/12/553097612.db2.gz IWEXZKBUGLOBFC-OAHLLOKOSA-N 1 2 351.410 2.148 20 30 FEEDLO Cc1ccc(C#N)cc1NC(=O)C(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C ZINC000296366787 553148597 /nfs/dbraw/zinc/14/85/97/553148597.db2.gz ZUZVFEVVGGVORG-OAHLLOKOSA-N 1 2 351.410 2.148 20 30 FEEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)[C@H](C)OCc2ccccc2C)c1C#N ZINC000600815082 553317951 /nfs/dbraw/zinc/31/79/51/553317951.db2.gz NXULRVJVANMFGC-AWEZNQCLSA-N 1 2 355.442 2.286 20 30 FEEDLO N#CC[C@@H]1CC[C@H](NC(=O)N2CCN(Cc3cn4ccccc4[nH+]3)CC2)C1 ZINC000298023684 553372908 /nfs/dbraw/zinc/37/29/08/553372908.db2.gz FWXBOPIIFZWVJS-IRXDYDNUSA-N 1 2 366.469 2.244 20 30 FEEDLO C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000298271225 553406547 /nfs/dbraw/zinc/40/65/47/553406547.db2.gz DXSIIWKKORPGQA-RYRKJORJSA-N 1 2 355.486 2.159 20 30 FEEDLO Cc1noc(C)c1C[NH+]1CCN(C(=O)[C@H](C)Oc2ccc(C#N)cc2)CC1 ZINC000298426170 553423817 /nfs/dbraw/zinc/42/38/17/553423817.db2.gz MZLRUWPNLCBYNM-INIZCTEOSA-N 1 2 368.437 2.275 20 30 FEEDLO CN(Cc1[nH+]ccn1C)S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000298881643 553484560 /nfs/dbraw/zinc/48/45/60/553484560.db2.gz ZIWKTVZMMAWUOY-UHFFFAOYSA-N 1 2 358.345 2.131 20 30 FEEDLO C#CCC[NH+]1CCN(C(=O)CCC(=O)CCC(=O)c2cccs2)CC1 ZINC000299349568 553551522 /nfs/dbraw/zinc/55/15/22/553551522.db2.gz VBKSAXLRVXXMND-UHFFFAOYSA-N 1 2 360.479 2.228 20 30 FEEDLO CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000505735899 561678831 /nfs/dbraw/zinc/67/88/31/561678831.db2.gz JJQUSRMERLONLU-LJQANCHMSA-N 1 2 361.442 2.185 20 30 FEEDLO Cc1nc(C[N@@H+]2CCCN(C(=O)N[C@H]3CC[C@H](O)CC3)CC2)cs1 ZINC000328748200 553816095 /nfs/dbraw/zinc/81/60/95/553816095.db2.gz QJLOXTJOXOXJIB-KOMQPUFPSA-N 1 2 352.504 2.177 20 30 FEEDLO Cc1nc(C[N@H+]2CCCN(C(=O)N[C@H]3CC[C@H](O)CC3)CC2)cs1 ZINC000328748200 553816097 /nfs/dbraw/zinc/81/60/97/553816097.db2.gz QJLOXTJOXOXJIB-KOMQPUFPSA-N 1 2 352.504 2.177 20 30 FEEDLO CC1(C)SC[C@@H]1NC(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000328768355 553819370 /nfs/dbraw/zinc/81/93/70/553819370.db2.gz QFDOCPWBECHCOU-HNNXBMFYSA-N 1 2 359.499 2.260 20 30 FEEDLO C[N@@H+]1CCO[C@H]2CCN(C(=O)Nc3nc4c(s3)CCCCC4)C[C@H]21 ZINC000328827526 553828921 /nfs/dbraw/zinc/82/89/21/553828921.db2.gz ILYNGEDTDVEDMY-KGLIPLIRSA-N 1 2 350.488 2.362 20 30 FEEDLO C[N@H+]1CCO[C@H]2CCN(C(=O)Nc3nc4c(s3)CCCCC4)C[C@H]21 ZINC000328827526 553828923 /nfs/dbraw/zinc/82/89/23/553828923.db2.gz ILYNGEDTDVEDMY-KGLIPLIRSA-N 1 2 350.488 2.362 20 30 FEEDLO N#C[C@@H]1CC[C@@H](N2CC[NH+]([C@@H]3CCCN(Cc4ccccc4)C3=O)CC2)C1 ZINC000328873202 553836344 /nfs/dbraw/zinc/83/63/44/553836344.db2.gz YUDPSIPBEGKCQV-NJDAHSKKSA-N 1 2 366.509 2.487 20 30 FEEDLO O=C(NCC1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1)c1ccccn1 ZINC000328947535 553850904 /nfs/dbraw/zinc/85/09/04/553850904.db2.gz MPQMZRKSLILNER-MRXNPFEDSA-N 1 2 367.453 2.084 20 30 FEEDLO CCC(=O)N1CCC[C@H](C(=O)N[C@H](c2[nH+]ccn2C)C2CCOCC2)C1 ZINC000329044918 553870725 /nfs/dbraw/zinc/87/07/25/553870725.db2.gz JGGBFEWKUGEOIX-RDJZCZTQSA-N 1 2 362.474 2.493 20 30 FEEDLO CCC(=O)N1CCC[C@H](C(=O)N[C@@H](c2[nH+]ccn2C)C2CCOCC2)C1 ZINC000329044915 553871049 /nfs/dbraw/zinc/87/10/49/553871049.db2.gz JGGBFEWKUGEOIX-DOTOQJQBSA-N 1 2 362.474 2.493 20 30 FEEDLO CC[C@H](C)Oc1cc(CNC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)ccn1 ZINC000329056505 553872497 /nfs/dbraw/zinc/87/24/97/553872497.db2.gz MJVBSWXJRKGMCM-UAGQMJEPSA-N 1 2 362.474 2.078 20 30 FEEDLO CC[C@H](C)Oc1cc(CNC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)ccn1 ZINC000329056505 553872499 /nfs/dbraw/zinc/87/24/99/553872499.db2.gz MJVBSWXJRKGMCM-UAGQMJEPSA-N 1 2 362.474 2.078 20 30 FEEDLO O=C(NCCc1cc(F)cc2c1OCOC2)C1([NH+]2CCOCC2)CCC1 ZINC000329080033 553876647 /nfs/dbraw/zinc/87/66/47/553876647.db2.gz CIMZXHWCYBBQJH-UHFFFAOYSA-N 1 2 364.417 2.446 20 30 FEEDLO CCC[N@H+](CC(=O)NC(=O)N[C@@H]1CCCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 ZINC000329120734 553884129 /nfs/dbraw/zinc/88/41/29/553884129.db2.gz PZWPEDZSCPTIAP-SOUVJXGZSA-N 1 2 373.519 2.335 20 30 FEEDLO CCC[N@@H+](CC(=O)NC(=O)N[C@@H]1CCCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 ZINC000329120734 553884131 /nfs/dbraw/zinc/88/41/31/553884131.db2.gz PZWPEDZSCPTIAP-SOUVJXGZSA-N 1 2 373.519 2.335 20 30 FEEDLO Cc1ccc([C@@H](C)NC(=O)C[N@@H+]2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)cc1C ZINC000329160964 553892266 /nfs/dbraw/zinc/89/22/66/553892266.db2.gz FKSBURTYFUKQEF-HYVNUMGLSA-N 1 2 350.484 2.440 20 30 FEEDLO Cc1ccc([C@@H](C)NC(=O)C[N@H+]2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)cc1C ZINC000329160964 553892269 /nfs/dbraw/zinc/89/22/69/553892269.db2.gz FKSBURTYFUKQEF-HYVNUMGLSA-N 1 2 350.484 2.440 20 30 FEEDLO C[C@@H](C(=O)NCc1ccccc1Cl)[N@@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000329182216 553897310 /nfs/dbraw/zinc/89/73/10/553897310.db2.gz OLPQWHLJZFHKEX-CORIIIEPSA-N 1 2 356.875 2.304 20 30 FEEDLO C[C@@H](C(=O)NCc1ccccc1Cl)[N@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000329182216 553897312 /nfs/dbraw/zinc/89/73/12/553897312.db2.gz OLPQWHLJZFHKEX-CORIIIEPSA-N 1 2 356.875 2.304 20 30 FEEDLO O=C(N[C@@H]1CC(=O)N(C2CCCCC2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000329191277 553899470 /nfs/dbraw/zinc/89/94/70/553899470.db2.gz SHFXXQFXLGCHTR-MRXNPFEDSA-N 1 2 371.485 2.051 20 30 FEEDLO Cc1nc2n(n1)C[C@@H]([NH+]=C([O-])N1CCC(c3ccc(C)[nH+]c3)CC1)CC2 ZINC000329331720 553926568 /nfs/dbraw/zinc/92/65/68/553926568.db2.gz MOHBKICEXGKKLR-KRWDZBQOSA-N 1 2 354.458 2.398 20 30 FEEDLO Cn1cc[nH+]c1[C@@H](NC(=O)N[C@@H]1CCCCC[C@H]1O)C1CCOCC1 ZINC000329338535 553928203 /nfs/dbraw/zinc/92/82/03/553928203.db2.gz NDFHJQANCJOBLJ-OAGGEKHMSA-N 1 2 350.463 2.085 20 30 FEEDLO CC[N@@H+]1CC[C@H](NC(=O)N2CC[C@H](CO)C2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000329361730 553932468 /nfs/dbraw/zinc/93/24/68/553932468.db2.gz CQJPVGWICQXONU-KCTSRDHCSA-N 1 2 371.403 2.467 20 30 FEEDLO CC[N@H+]1CC[C@H](NC(=O)N2CC[C@H](CO)C2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000329361730 553932470 /nfs/dbraw/zinc/93/24/70/553932470.db2.gz CQJPVGWICQXONU-KCTSRDHCSA-N 1 2 371.403 2.467 20 30 FEEDLO Cc1nc([C@H]2CN(C(=O)Nc3cccc(-c4[nH+]ccn4C)c3)CCO2)no1 ZINC000329399568 553939346 /nfs/dbraw/zinc/93/93/46/553939346.db2.gz XLHHZGPGTIYAPA-OAHLLOKOSA-N 1 2 368.397 2.398 20 30 FEEDLO C[C@@H]1CN(C(=O)Nc2csc(-c3ccccn3)n2)C[C@H]1[NH+]1CCOCC1 ZINC000329403758 553939717 /nfs/dbraw/zinc/93/97/17/553939717.db2.gz CFWBYPGIHGVDAQ-UKRRQHHQSA-N 1 2 373.482 2.403 20 30 FEEDLO Cn1cc[nH+]c1[C@H](NC(=O)N1CCC2(C1)CCOCC2)C1CCOCC1 ZINC000329429475 553945247 /nfs/dbraw/zinc/94/52/47/553945247.db2.gz HIAFEJNGXQUPPC-MRXNPFEDSA-N 1 2 362.474 2.304 20 30 FEEDLO CN(CC(=O)Nc1ccccc1Cl)C(=O)C[N@@H+]1CCOCC2(CC2)C1 ZINC000329437957 553947182 /nfs/dbraw/zinc/94/71/82/553947182.db2.gz JMISXOHSPCOEHJ-UHFFFAOYSA-N 1 2 365.861 2.499 20 30 FEEDLO CN(CC(=O)Nc1ccccc1Cl)C(=O)C[N@H+]1CCOCC2(CC2)C1 ZINC000329437957 553947184 /nfs/dbraw/zinc/94/71/84/553947184.db2.gz JMISXOHSPCOEHJ-UHFFFAOYSA-N 1 2 365.861 2.499 20 30 FEEDLO O=C(Nc1ccccc1)NC1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000329491553 553957166 /nfs/dbraw/zinc/95/71/66/553957166.db2.gz VNBCJGGLBLNSHJ-OAHLLOKOSA-N 1 2 367.453 2.272 20 30 FEEDLO O=C(C[N@@H+]1CCOCC2(CC2)C1)Nc1cc(-n2cnnn2)ccc1Cl ZINC000329492170 553957212 /nfs/dbraw/zinc/95/72/12/553957212.db2.gz ZOCLVRZOQSZBRQ-UHFFFAOYSA-N 1 2 362.821 2.016 20 30 FEEDLO O=C(C[N@H+]1CCOCC2(CC2)C1)Nc1cc(-n2cnnn2)ccc1Cl ZINC000329492170 553957214 /nfs/dbraw/zinc/95/72/14/553957214.db2.gz ZOCLVRZOQSZBRQ-UHFFFAOYSA-N 1 2 362.821 2.016 20 30 FEEDLO C[C@H](c1cccc(NC(=O)N2C[C@@H]3CC[C@H](O)[C@@H]3C2)c1)[NH+]1CCOCC1 ZINC000329579652 553971111 /nfs/dbraw/zinc/97/11/11/553971111.db2.gz UJRYIMDQWQYULL-HYEGPXJVSA-N 1 2 359.470 2.328 20 30 FEEDLO CC(C)O[C@@H]1C[C@H](NC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)C1(C)C ZINC000329683898 553987879 /nfs/dbraw/zinc/98/78/79/553987879.db2.gz XVQKMKPRANGWPF-YESZJQIVSA-N 1 2 353.507 2.289 20 30 FEEDLO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2C([O-])=[NH+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000329727843 553996057 /nfs/dbraw/zinc/99/60/57/553996057.db2.gz GZJZJANEPMDBRV-ZNMIVQPWSA-N 1 2 352.442 2.235 20 30 FEEDLO O=C(NCc1ccc(N2CCOCC2)[nH+]c1)N1CCC(OCC2CC2)CC1 ZINC000329784060 554005643 /nfs/dbraw/zinc/00/56/43/554005643.db2.gz VQDOCPRCLCNHHX-UHFFFAOYSA-N 1 2 374.485 2.223 20 30 FEEDLO CC[C@@H]1CC[C@H](C)N1C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000329860321 554020277 /nfs/dbraw/zinc/02/02/77/554020277.db2.gz XGKOEVLDZOTRJN-GOEBONIOSA-N 1 2 359.474 2.278 20 30 FEEDLO Cc1ccccc1CCNC(=O)C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000507287357 561723765 /nfs/dbraw/zinc/72/37/65/561723765.db2.gz SVWJLIKVODFMBJ-UHFFFAOYSA-N 1 2 362.477 2.348 20 30 FEEDLO Cc1ccc2nc(C[NH+]3CCN(c4ccccc4C#N)CC3)cc(=O)n2c1 ZINC000507312904 561724727 /nfs/dbraw/zinc/72/47/27/561724727.db2.gz AEZOQJINOZLYCB-UHFFFAOYSA-N 1 2 359.433 2.197 20 30 FEEDLO CCOC1CC(CNC(=O)[C@H]2CCCCC(=O)N2)([NH+]2CCOCC2)C1 ZINC000329914551 554030282 /nfs/dbraw/zinc/03/02/82/554030282.db2.gz XWJAICUVQJXNPJ-SWKXRBFHSA-N 1 2 353.463 2.112 20 30 FEEDLO COc1cc2nc(C)sc2cc1NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000329922541 554032246 /nfs/dbraw/zinc/03/22/46/554032246.db2.gz IARFHZTVOYEYSQ-HIFRSBDPSA-N 1 2 362.455 2.174 20 30 FEEDLO COc1cc2nc(C)sc2cc1NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000329922541 554032247 /nfs/dbraw/zinc/03/22/47/554032247.db2.gz IARFHZTVOYEYSQ-HIFRSBDPSA-N 1 2 362.455 2.174 20 30 FEEDLO COc1ccc([C@H](NC(=O)C[N@H+]2C[C@@H]3[C@H](C2)OCCN3C)C(C)C)cc1 ZINC000329922646 554032400 /nfs/dbraw/zinc/03/24/00/554032400.db2.gz ICWCANUSNUAXAZ-WSTZPKSXSA-N 1 2 361.486 2.364 20 30 FEEDLO COc1ccc([C@H](NC(=O)C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3C)C(C)C)cc1 ZINC000329922646 554032404 /nfs/dbraw/zinc/03/24/04/554032404.db2.gz ICWCANUSNUAXAZ-WSTZPKSXSA-N 1 2 361.486 2.364 20 30 FEEDLO COc1ccc([C@H](NC(=O)CN2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)C(C)C)cc1 ZINC000329922646 554032409 /nfs/dbraw/zinc/03/24/09/554032409.db2.gz ICWCANUSNUAXAZ-WSTZPKSXSA-N 1 2 361.486 2.364 20 30 FEEDLO COc1ccc([C@H](NC(=O)CN2C[C@@H]3[C@H](C2)OCC[N@H+]3C)C(C)C)cc1 ZINC000329922646 554032412 /nfs/dbraw/zinc/03/24/12/554032412.db2.gz ICWCANUSNUAXAZ-WSTZPKSXSA-N 1 2 361.486 2.364 20 30 FEEDLO C[C@H]1OCC[C@@]12C[N@H+](CC(=O)Nc1ccc3c(c1)OCCCO3)CCO2 ZINC000329925990 554032957 /nfs/dbraw/zinc/03/29/57/554032957.db2.gz VWYYIRMOGOKVFX-AUUYWEPGSA-N 1 2 362.426 2.316 20 30 FEEDLO C[C@H]1OCC[C@@]12C[N@@H+](CC(=O)Nc1ccc3c(c1)OCCCO3)CCO2 ZINC000329925990 554032962 /nfs/dbraw/zinc/03/29/62/554032962.db2.gz VWYYIRMOGOKVFX-AUUYWEPGSA-N 1 2 362.426 2.316 20 30 FEEDLO N#Cc1ccc(OC2CCN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)CC2)cc1 ZINC000329959057 554038856 /nfs/dbraw/zinc/03/88/56/554038856.db2.gz MXQHVTZFLYXAPH-MRXNPFEDSA-N 1 2 350.422 2.387 20 30 FEEDLO Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1CNC(=O)C1(C2CC2)CCOCC1 ZINC000329984340 554043840 /nfs/dbraw/zinc/04/38/40/554043840.db2.gz QFQFJBJJOJTOLH-HOTGVXAUSA-N 1 2 364.465 2.496 20 30 FEEDLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000330050692 554055118 /nfs/dbraw/zinc/05/51/18/554055118.db2.gz MDHOJFLFZVWXRQ-ZDUSSCGKSA-N 1 2 368.484 2.480 20 30 FEEDLO C[C@@H]1C[N@H+](CC(=O)NCCOc2ccc(F)cc2)C[C@]2(CCOC2)O1 ZINC000330146990 554073546 /nfs/dbraw/zinc/07/35/46/554073546.db2.gz IHUJFKKSUSYKFZ-KDOFPFPSSA-N 1 2 352.406 2.041 20 30 FEEDLO C[C@@H]1C[N@@H+](CC(=O)NCCOc2ccc(F)cc2)C[C@]2(CCOC2)O1 ZINC000330146990 554073550 /nfs/dbraw/zinc/07/35/50/554073550.db2.gz IHUJFKKSUSYKFZ-KDOFPFPSSA-N 1 2 352.406 2.041 20 30 FEEDLO CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)NCc1cn3ccc(C)cc3[nH+]1)CC2 ZINC000330163996 554076730 /nfs/dbraw/zinc/07/67/30/554076730.db2.gz VRKFRIXDLAWAQP-IAGOWNOFSA-N 1 2 372.469 2.309 20 30 FEEDLO C[C@@H]1CCN(C([O-])=[NH+][C@@H]2CCCC[C@H]2S(C)(=O)=O)C[C@H]1n1cc[nH+]c1 ZINC000330272162 554097410 /nfs/dbraw/zinc/09/74/10/554097410.db2.gz XDUGESCQPDVZIW-KLHDSHLOSA-N 1 2 368.503 2.036 20 30 FEEDLO C[C@@H]1CCN(C(=O)N[C@@H]2CCCC[C@H]2S(C)(=O)=O)C[C@H]1n1cc[nH+]c1 ZINC000330272162 554097411 /nfs/dbraw/zinc/09/74/11/554097411.db2.gz XDUGESCQPDVZIW-KLHDSHLOSA-N 1 2 368.503 2.036 20 30 FEEDLO CCN1CCN(C(=O)Nc2cccc([S@@](C)=O)c2)C[C@H]1c1[nH]cc[nH+]1 ZINC000330345491 554108729 /nfs/dbraw/zinc/10/87/29/554108729.db2.gz FFUUENOFRNKOLM-ODCWNRFASA-N 1 2 361.471 2.071 20 30 FEEDLO CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000330376953 554113016 /nfs/dbraw/zinc/11/30/16/554113016.db2.gz PNTOHKPJJZINOV-CABCVRRESA-N 1 2 370.544 2.153 20 30 FEEDLO N#CCNC(=O)C[N@H+]1CCC[C@@H]1c1ccccc1I ZINC000330787065 554171098 /nfs/dbraw/zinc/17/10/98/554171098.db2.gz WRSQBTKYTTVFKH-CYBMUJFWSA-N 1 2 369.206 2.068 20 30 FEEDLO N#CCNC(=O)C[N@@H+]1CCC[C@@H]1c1ccccc1I ZINC000330787065 554171103 /nfs/dbraw/zinc/17/11/03/554171103.db2.gz WRSQBTKYTTVFKH-CYBMUJFWSA-N 1 2 369.206 2.068 20 30 FEEDLO C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)N1CCO[C@H](C[N@H+](C)CC(N)=O)C1 ZINC000331232127 554234240 /nfs/dbraw/zinc/23/42/40/554234240.db2.gz ISCZPACZPNEMLW-KFWWJZLASA-N 1 2 354.495 2.283 20 30 FEEDLO C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)N1CCO[C@H](C[N@@H+](C)CC(N)=O)C1 ZINC000331232127 554234241 /nfs/dbraw/zinc/23/42/41/554234241.db2.gz ISCZPACZPNEMLW-KFWWJZLASA-N 1 2 354.495 2.283 20 30 FEEDLO C[C@H](NC(=O)NC[C@H]1C[N@H+](C)CCO1)c1ccc(Br)s1 ZINC000331239507 554234932 /nfs/dbraw/zinc/23/49/32/554234932.db2.gz WIXPINBEGFZVIT-UWVGGRQHSA-N 1 2 362.293 2.406 20 30 FEEDLO C[C@H](NC(=O)NC[C@H]1C[N@@H+](C)CCO1)c1ccc(Br)s1 ZINC000331239507 554234935 /nfs/dbraw/zinc/23/49/35/554234935.db2.gz WIXPINBEGFZVIT-UWVGGRQHSA-N 1 2 362.293 2.406 20 30 FEEDLO CCc1cnc(N2CC[NH+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC2)s1 ZINC000331276667 554239963 /nfs/dbraw/zinc/23/99/63/554239963.db2.gz RDFZVHJUFVUOTB-KSSFIOAISA-N 1 2 363.531 2.270 20 30 FEEDLO C=CCn1c(-c2ccccc2C)nnc1N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000508808507 561773539 /nfs/dbraw/zinc/77/35/39/561773539.db2.gz HILWTYPEOQSWMO-QGZVFWFLSA-N 1 2 353.470 2.350 20 30 FEEDLO C[C@@H](C(=O)N(C)C)[NH+]1CCN(C(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000331331259 554247794 /nfs/dbraw/zinc/24/77/94/554247794.db2.gz RQMIICDESHBWIR-LBPRGKRZSA-N 1 2 372.391 2.345 20 30 FEEDLO C=CCSCCNC(=O)C[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000508850360 561775082 /nfs/dbraw/zinc/77/50/82/561775082.db2.gz USZHJMURWCJBAV-UHFFFAOYSA-N 1 2 350.484 2.097 20 30 FEEDLO C=CCSCCNC(=O)C[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000508850360 561775083 /nfs/dbraw/zinc/77/50/83/561775083.db2.gz USZHJMURWCJBAV-UHFFFAOYSA-N 1 2 350.484 2.097 20 30 FEEDLO N#Cc1ccc(N2CC[C@@H]([N@@H+]3CCC[C@@](O)(C(F)(F)F)C3)C2=O)cc1 ZINC000331676974 554306824 /nfs/dbraw/zinc/30/68/24/554306824.db2.gz OXPRYWOZHUTOTG-ZBFHGGJFSA-N 1 2 353.344 2.053 20 30 FEEDLO N#Cc1ccc(N2CC[C@@H]([N@H+]3CCC[C@@](O)(C(F)(F)F)C3)C2=O)cc1 ZINC000331676974 554306825 /nfs/dbraw/zinc/30/68/25/554306825.db2.gz OXPRYWOZHUTOTG-ZBFHGGJFSA-N 1 2 353.344 2.053 20 30 FEEDLO CC1CCN(c2ccc(CNS(=O)(=O)CC3(CC#N)CC3)c[nH+]2)CC1 ZINC000333270578 554596956 /nfs/dbraw/zinc/59/69/56/554596956.db2.gz CKKBFKKOIMSFBN-UHFFFAOYSA-N 1 2 362.499 2.431 20 30 FEEDLO Cc1ccc(C#N)nc1N1CC[NH+](Cc2nc(N)c3ccccc3n2)CC1 ZINC000611399070 554630733 /nfs/dbraw/zinc/63/07/33/554630733.db2.gz XQBIMBDMLMRDDB-UHFFFAOYSA-N 1 2 359.437 2.109 20 30 FEEDLO C[C@H](NC(=O)[C@H](C)[NH+]1CCC(F)(C#N)CC1)c1ccc2c(c1)OCCO2 ZINC000510913241 561850460 /nfs/dbraw/zinc/85/04/60/561850460.db2.gz CPASHHJAGHPJDP-KBPBESRZSA-N 1 2 361.417 2.351 20 30 FEEDLO Cc1nn(-c2ccccc2)c(C)c1CNC(=O)C[NH+]1CCC(F)(C#N)CC1 ZINC000510932624 561851135 /nfs/dbraw/zinc/85/11/35/561851135.db2.gz NPHFSKIQFXFRPV-UHFFFAOYSA-N 1 2 369.444 2.433 20 30 FEEDLO C=CCN1C(=O)N([C@H]2CCc3[nH+]c[nH]c3C2)C(=O)[C@H]1Cc1ccccc1 ZINC000348987525 554707931 /nfs/dbraw/zinc/70/79/31/554707931.db2.gz PIXFJXLHDWMSEG-MAUKXSAKSA-N 1 2 350.422 2.329 20 30 FEEDLO C=CCN1C(=O)N([C@H]2CCc3[nH]c[nH+]c3C2)C(=O)[C@H]1Cc1ccccc1 ZINC000348987525 554707933 /nfs/dbraw/zinc/70/79/33/554707933.db2.gz PIXFJXLHDWMSEG-MAUKXSAKSA-N 1 2 350.422 2.329 20 30 FEEDLO Cn1c[nH+]cc1Cc1noc([C@H]2CCN(c3ccc(C#N)cc3F)C2)n1 ZINC000350201587 554767309 /nfs/dbraw/zinc/76/73/09/554767309.db2.gz FINVNZLHJPHREI-ZDUSSCGKSA-N 1 2 352.373 2.399 20 30 FEEDLO CC[N@@H+]1CCN(S(=O)(=O)c2cc(Br)cc(C#N)c2)[C@H](C)C1 ZINC000511334556 561865585 /nfs/dbraw/zinc/86/55/85/561865585.db2.gz PYDMOMIGLTYYEA-LLVKDONJSA-N 1 2 372.288 2.035 20 30 FEEDLO CC[N@H+]1CCN(S(=O)(=O)c2cc(Br)cc(C#N)c2)[C@H](C)C1 ZINC000511334556 561865586 /nfs/dbraw/zinc/86/55/86/561865586.db2.gz PYDMOMIGLTYYEA-LLVKDONJSA-N 1 2 372.288 2.035 20 30 FEEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCN(c2ccc(F)cn2)CC1 ZINC000362237939 554957814 /nfs/dbraw/zinc/95/78/14/554957814.db2.gz PNMRJEVEMSZWMR-OAHLLOKOSA-N 1 2 359.449 2.074 20 30 FEEDLO N#Cc1ccc(NC(=O)C[NH+]2CCC(NC(=O)c3cccs3)CC2)cc1 ZINC000363224393 555058135 /nfs/dbraw/zinc/05/81/35/555058135.db2.gz XOJJRSNEYUHVNK-UHFFFAOYSA-N 1 2 368.462 2.453 20 30 FEEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCOC2(CCOCC2)CC1 ZINC000364265511 555281189 /nfs/dbraw/zinc/28/11/89/555281189.db2.gz UKXYOOOGIWHKMP-UHFFFAOYSA-N 1 2 363.845 2.422 20 30 FEEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCOC2(CCOCC2)CC1 ZINC000364265511 555281191 /nfs/dbraw/zinc/28/11/91/555281191.db2.gz UKXYOOOGIWHKMP-UHFFFAOYSA-N 1 2 363.845 2.422 20 30 FEEDLO C=CC[C@H](C(=O)N1CCC[N@@H+](CC(=O)NC(C)C)CC1)c1ccccc1 ZINC000364441083 555314828 /nfs/dbraw/zinc/31/48/28/555314828.db2.gz BPIPMIZHKRVDRN-IBGZPJMESA-N 1 2 357.498 2.405 20 30 FEEDLO C=CC[C@H](C(=O)N1CCC[N@H+](CC(=O)NC(C)C)CC1)c1ccccc1 ZINC000364441083 555314829 /nfs/dbraw/zinc/31/48/29/555314829.db2.gz BPIPMIZHKRVDRN-IBGZPJMESA-N 1 2 357.498 2.405 20 30 FEEDLO N#Cc1cccc(CN2CC[NH+](CC(=O)NCc3ccccc3)CC2)c1F ZINC000512461895 561906116 /nfs/dbraw/zinc/90/61/16/561906116.db2.gz GJYKXTIGMXOINC-UHFFFAOYSA-N 1 2 366.440 2.131 20 30 FEEDLO N#CCCn1cc(C(=O)C[N@@H+]2CCC[C@]3(CNC(=O)O3)C2)c2ccccc21 ZINC000364787037 555402642 /nfs/dbraw/zinc/40/26/42/555402642.db2.gz GTDYEENEWODBLI-FQEVSTJZSA-N 1 2 366.421 2.312 20 30 FEEDLO N#CCCn1cc(C(=O)C[N@H+]2CCC[C@]3(CNC(=O)O3)C2)c2ccccc21 ZINC000364787037 555402643 /nfs/dbraw/zinc/40/26/43/555402643.db2.gz GTDYEENEWODBLI-FQEVSTJZSA-N 1 2 366.421 2.312 20 30 FEEDLO Cc1cc(S(=O)(=O)NC2CCN(c3cccc[nH+]3)CC2)ccc1C#N ZINC000365545360 555605185 /nfs/dbraw/zinc/60/51/85/555605185.db2.gz JTVWAHXXWDGQLV-UHFFFAOYSA-N 1 2 356.451 2.209 20 30 FEEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](CC(=O)Nc3cccnc3Cl)C2)nc1 ZINC000366397200 555832978 /nfs/dbraw/zinc/83/29/78/555832978.db2.gz BABLEUYXKFYCFM-ZDUSSCGKSA-N 1 2 357.801 2.093 20 30 FEEDLO N#Cc1ccc(O[C@H]2CC[N@H+](CC(=O)Nc3cccnc3Cl)C2)nc1 ZINC000366397200 555832980 /nfs/dbraw/zinc/83/29/80/555832980.db2.gz BABLEUYXKFYCFM-ZDUSSCGKSA-N 1 2 357.801 2.093 20 30 FEEDLO CS(=O)(=O)c1ccc(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000366446933 555846514 /nfs/dbraw/zinc/84/65/14/555846514.db2.gz YIZKZMNYGGVWEW-INIZCTEOSA-N 1 2 357.435 2.010 20 30 FEEDLO CS(=O)(=O)c1ccc(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000366446933 555846517 /nfs/dbraw/zinc/84/65/17/555846517.db2.gz YIZKZMNYGGVWEW-INIZCTEOSA-N 1 2 357.435 2.010 20 30 FEEDLO O=C(NCC#Cc1cccc(F)c1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000513934251 561955373 /nfs/dbraw/zinc/95/53/73/561955373.db2.gz RZDZWRSETKKCLX-UHFFFAOYSA-N 1 2 352.409 2.439 20 30 FEEDLO Cn1cc(C[N@@H+]2CCC[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]32)cc1C#N ZINC000366714971 555916410 /nfs/dbraw/zinc/91/64/10/555916410.db2.gz YHNIGHNWUVCRPG-MOPGFXCFSA-N 1 2 362.433 2.046 20 30 FEEDLO Cn1cc(C[N@H+]2CCC[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]32)cc1C#N ZINC000366714971 555916411 /nfs/dbraw/zinc/91/64/11/555916411.db2.gz YHNIGHNWUVCRPG-MOPGFXCFSA-N 1 2 362.433 2.046 20 30 FEEDLO C#CC[C@H](Cc1ccccc1)NC(=O)N1CCN(CC)[C@@H](c2[nH]cc[nH+]2)C1 ZINC000367866194 556159308 /nfs/dbraw/zinc/15/93/08/556159308.db2.gz SIGYEQVXSGQTGB-RTBURBONSA-N 1 2 365.481 2.433 20 30 FEEDLO N#CC1(c2ccccn2)CCN(c2cc(N3CCSCC3)nc[nH+]2)CC1 ZINC000368523197 556334794 /nfs/dbraw/zinc/33/47/94/556334794.db2.gz SRKLCFKRMNIVQR-UHFFFAOYSA-N 1 2 366.494 2.487 20 30 FEEDLO N#CC1(c2ccccn2)CCN(c2cc(N3CCSCC3)[nH+]cn2)CC1 ZINC000368523197 556334801 /nfs/dbraw/zinc/33/48/01/556334801.db2.gz SRKLCFKRMNIVQR-UHFFFAOYSA-N 1 2 366.494 2.487 20 30 FEEDLO Cc1[nH+]c2n(c1CN1CCN(c3nccc(C)c3C#N)CC1)CCCC2 ZINC000368613743 556362979 /nfs/dbraw/zinc/36/29/79/556362979.db2.gz OHTBFSKEQKCFAX-UHFFFAOYSA-N 1 2 350.470 2.425 20 30 FEEDLO Cc1noc(C)c1CO[C@@H]1CC[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000368834803 556425937 /nfs/dbraw/zinc/42/59/37/556425937.db2.gz OITQXYNWZUMZEF-CQSZACIVSA-N 1 2 360.439 2.454 20 30 FEEDLO Cc1noc(C)c1CO[C@@H]1CC[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000368834803 556425940 /nfs/dbraw/zinc/42/59/40/556425940.db2.gz OITQXYNWZUMZEF-CQSZACIVSA-N 1 2 360.439 2.454 20 30 FEEDLO COCC[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)[C@H]1CCCc2cccnc21 ZINC000369003919 556473531 /nfs/dbraw/zinc/47/35/31/556473531.db2.gz WRMGENQGVAPCHZ-FXAWDEMLSA-N 1 2 358.486 2.462 20 30 FEEDLO COCC[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)[C@H]1CCCc2cccnc21 ZINC000369003919 556473534 /nfs/dbraw/zinc/47/35/34/556473534.db2.gz WRMGENQGVAPCHZ-FXAWDEMLSA-N 1 2 358.486 2.462 20 30 FEEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCO[C@]2(CCO[C@@H]2C)C1 ZINC000369318304 556573636 /nfs/dbraw/zinc/57/36/36/556573636.db2.gz BBYUBNUCTKPCOZ-FKVWROMMSA-N 1 2 363.502 2.186 20 30 FEEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCO[C@]2(CCO[C@@H]2C)C1 ZINC000369318304 556573639 /nfs/dbraw/zinc/57/36/39/556573639.db2.gz BBYUBNUCTKPCOZ-FKVWROMMSA-N 1 2 363.502 2.186 20 30 FEEDLO CCCn1c(C)cc(C(=O)C[NH+]2CCC(n3cnc(C#N)n3)CC2)c1C ZINC000369388764 556587334 /nfs/dbraw/zinc/58/73/34/556587334.db2.gz HYHJZLKTMLESAX-UHFFFAOYSA-N 1 2 354.458 2.498 20 30 FEEDLO Cc1oc(NC(=O)C[NH+]2CCC(CN3CCCC3=O)CC2)c(C#N)c1C ZINC000369815532 556703116 /nfs/dbraw/zinc/70/31/16/556703116.db2.gz AULVFQCTJCSHHP-UHFFFAOYSA-N 1 2 358.442 2.041 20 30 FEEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@H](c1nc(C)no1)C1CCOCC1 ZINC000370171537 556801523 /nfs/dbraw/zinc/80/15/23/556801523.db2.gz HPZOMPFXPHDBFP-BBRMVZONSA-N 1 2 350.463 2.248 20 30 FEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C(C)=O ZINC000370234752 556818341 /nfs/dbraw/zinc/81/83/41/556818341.db2.gz ADCNDVYVPXEZDO-FHWLQOOXSA-N 1 2 355.438 2.248 20 30 FEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H]1[C@@H]1CCCN1C(C)=O ZINC000370234752 556818344 /nfs/dbraw/zinc/81/83/44/556818344.db2.gz ADCNDVYVPXEZDO-FHWLQOOXSA-N 1 2 355.438 2.248 20 30 FEEDLO CC(C)N(C)S(=O)(=O)c1ccc(C[NH2+]Cc2nc(C#N)cs2)cc1 ZINC000516689909 562054636 /nfs/dbraw/zinc/05/46/36/562054636.db2.gz NNWWWJKSAQWTFU-UHFFFAOYSA-N 1 2 364.496 2.333 20 30 FEEDLO Cc1n[nH]c(C2CC[NH+]([C@H]3CCN(c4sccc4C#N)C3=O)CC2)n1 ZINC000370377263 556855169 /nfs/dbraw/zinc/85/51/69/556855169.db2.gz OJOBFLOHWYCBAZ-AWEZNQCLSA-N 1 2 356.455 2.031 20 30 FEEDLO Cc1nc(C2CC[NH+]([C@H]3CCN(c4sccc4C#N)C3=O)CC2)n[nH]1 ZINC000370377263 556855171 /nfs/dbraw/zinc/85/51/71/556855171.db2.gz OJOBFLOHWYCBAZ-AWEZNQCLSA-N 1 2 356.455 2.031 20 30 FEEDLO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1cn(Cc2cccnc2)nn1 ZINC000517058246 562073844 /nfs/dbraw/zinc/07/38/44/562073844.db2.gz GEKHUQLCFFJIQT-UHFFFAOYSA-N 1 2 362.437 2.242 20 30 FEEDLO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1cn(Cc2cccnc2)nn1 ZINC000517058246 562073846 /nfs/dbraw/zinc/07/38/46/562073846.db2.gz GEKHUQLCFFJIQT-UHFFFAOYSA-N 1 2 362.437 2.242 20 30 FEEDLO C=CCN(CC=C)C(=O)C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000517783610 562098011 /nfs/dbraw/zinc/09/80/11/562098011.db2.gz SZDXGNWVTYNADG-UHFFFAOYSA-N 1 2 361.873 2.015 20 30 FEEDLO C=CCN(CC=C)C(=O)C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000517783610 562098012 /nfs/dbraw/zinc/09/80/12/562098012.db2.gz SZDXGNWVTYNADG-UHFFFAOYSA-N 1 2 361.873 2.015 20 30 FEEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCc2ccccc2[C@@H]1C(N)=O ZINC000371769321 557288762 /nfs/dbraw/zinc/28/87/62/557288762.db2.gz IMOIOVZHVLGJPK-LJQANCHMSA-N 1 2 351.406 2.030 20 30 FEEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCc2ccccc2[C@@H]1C(N)=O ZINC000371769321 557288765 /nfs/dbraw/zinc/28/87/65/557288765.db2.gz IMOIOVZHVLGJPK-LJQANCHMSA-N 1 2 351.406 2.030 20 30 FEEDLO CN(C(=O)C(=O)Nc1ccc(C#N)cc1)C1CCN(c2cccc[nH+]2)CC1 ZINC000373001153 557607318 /nfs/dbraw/zinc/60/73/18/557607318.db2.gz PTLGQGPHXLMCLH-UHFFFAOYSA-N 1 2 363.421 2.019 20 30 FEEDLO N#Cc1ccc(C[C@@H](C#N)C(=O)N2CCCN(c3cccc[nH+]3)CC2)cc1 ZINC000373443740 557694747 /nfs/dbraw/zinc/69/47/47/557694747.db2.gz UMFOTHNMHBYCGA-IBGZPJMESA-N 1 2 359.433 2.374 20 30 FEEDLO Cc1noc(CSc2ccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)cc2)n1 ZINC000520820081 562164607 /nfs/dbraw/zinc/16/46/07/562164607.db2.gz XBRMHEQETXHFJR-QGZVFWFLSA-N 1 2 359.455 2.244 20 30 FEEDLO CCN(C[C@H](C)C#N)S(=O)(=O)N1CCC(c2ccc(C)[nH+]c2)CC1 ZINC000374439300 557884284 /nfs/dbraw/zinc/88/42/84/557884284.db2.gz AHPFAIYWLDDJIT-CQSZACIVSA-N 1 2 350.488 2.296 20 30 FEEDLO CC(C)[C@H](CNC(=O)[C@]1(C#N)CCc2ccccc2C1)[NH+]1CCOCC1 ZINC000375015751 557964554 /nfs/dbraw/zinc/96/45/54/557964554.db2.gz DNZUHMIXOYZZHM-PZJWPPBQSA-N 1 2 355.482 2.158 20 30 FEEDLO C#CCn1ccc(CN(CC)C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)n1 ZINC000375258712 558000361 /nfs/dbraw/zinc/00/03/61/558000361.db2.gz ROZLQHFAWJGNBM-SJLPKXTDSA-N 1 2 351.454 2.032 20 30 FEEDLO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCc1c[nH+]c2n1CCCC2 ZINC000375386383 558019165 /nfs/dbraw/zinc/01/91/65/558019165.db2.gz HIUOHJASSKPFHT-UHFFFAOYSA-N 1 2 353.426 2.058 20 30 FEEDLO C=C(C)Cn1c([C@@H](C)CC)nnc1N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000521373407 562175184 /nfs/dbraw/zinc/17/51/84/562175184.db2.gz HMFPDMDFPXXUPR-JKSUJKDBSA-N 1 2 374.533 2.157 20 30 FEEDLO COC(=O)c1cccc(Cl)c1C[NH+]1CCC(n2cnc(C#N)n2)CC1 ZINC000375688011 558067897 /nfs/dbraw/zinc/06/78/97/558067897.db2.gz HVUXCLLHMKIZJY-UHFFFAOYSA-N 1 2 359.817 2.427 20 30 FEEDLO Cc1sc(NC(=O)C[NH+]2CCC3(CCN(C)C3=O)CC2)c(C#N)c1C ZINC000376048802 558119276 /nfs/dbraw/zinc/11/92/76/558119276.db2.gz UREMPKHBWWISJQ-UHFFFAOYSA-N 1 2 360.483 2.119 20 30 FEEDLO N#Cc1ccc([N+](=O)[O-])c(N2CCC3(CC2)NC(=O)C2(CCCCC2)[NH2+]3)c1 ZINC000376622742 558199207 /nfs/dbraw/zinc/19/92/07/558199207.db2.gz LREMJCOYKOJBMF-UHFFFAOYSA-N 1 2 369.425 2.185 20 30 FEEDLO Cn1cc(C[N@H+](C2CC2)[C@@H]2CCS(=O)(=O)C2)c(-c2ccc(C#N)cc2)n1 ZINC000376827774 558226450 /nfs/dbraw/zinc/22/64/50/558226450.db2.gz JZXLWKDBJYMTIV-GOSISDBHSA-N 1 2 370.478 2.110 20 30 FEEDLO Cn1cc(C[N@@H+](C2CC2)[C@@H]2CCS(=O)(=O)C2)c(-c2ccc(C#N)cc2)n1 ZINC000376827774 558226451 /nfs/dbraw/zinc/22/64/51/558226451.db2.gz JZXLWKDBJYMTIV-GOSISDBHSA-N 1 2 370.478 2.110 20 30 FEEDLO N#Cc1c(C[NH+]2CCC(S(=O)(=O)N3CCCC3)CC2)cn2ccccc12 ZINC000377118345 558270195 /nfs/dbraw/zinc/27/01/95/558270195.db2.gz CYCUPWLINZHQGU-UHFFFAOYSA-N 1 2 372.494 2.201 20 30 FEEDLO CC(C)(C)n1ncc2c1nc[nH+]c2N1CCN(c2ccc(C#N)nc2)CC1 ZINC000377299288 558309637 /nfs/dbraw/zinc/30/96/37/558309637.db2.gz QBACBAXQXWEDAQ-UHFFFAOYSA-N 1 2 362.441 2.175 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[NH+]2CCC(c3ccccn3)CC2)nc1 ZINC000377570067 558367821 /nfs/dbraw/zinc/36/78/21/558367821.db2.gz XNUBODFJLABTJX-UHFFFAOYSA-N 1 2 356.451 2.002 20 30 FEEDLO Cc1nn(C)c2ncc(C[N@@H+]3C[C@H](C#N)[C@]4(C3)c3ccccc3NC4=O)cc12 ZINC000378293820 558521952 /nfs/dbraw/zinc/52/19/52/558521952.db2.gz UKIGZOGYLGPMLH-YCRPNKLZSA-N 1 2 372.432 2.122 20 30 FEEDLO Cc1nn(C)c2ncc(C[N@H+]3C[C@H](C#N)[C@]4(C3)c3ccccc3NC4=O)cc12 ZINC000378293820 558521954 /nfs/dbraw/zinc/52/19/54/558521954.db2.gz UKIGZOGYLGPMLH-YCRPNKLZSA-N 1 2 372.432 2.122 20 30 FEEDLO CCN(CCC#N)S(=O)(=O)N1CCC(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000409542154 558701683 /nfs/dbraw/zinc/70/16/83/558701683.db2.gz DKBYMSVAEBRAKI-UHFFFAOYSA-N 1 2 361.471 2.223 20 30 FEEDLO Cc1cc(NC(=O)[C@@H](C)n2cnc(C#N)n2)c[nH+]c1N1CCCC[C@@H]1C ZINC000409912525 558726810 /nfs/dbraw/zinc/72/68/10/558726810.db2.gz QEHRTHGTEXLIDP-UONOGXRCSA-N 1 2 353.430 2.432 20 30 FEEDLO C=CCN1CC[C@H](N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)C1=O ZINC000410314612 558751331 /nfs/dbraw/zinc/75/13/31/558751331.db2.gz BXDBEWAKMLTIDV-SFHVURJKSA-N 1 2 363.889 2.123 20 30 FEEDLO C=CCN1CC[C@H]([NH+]2CCN(CCOc3ccc(Cl)cc3)CC2)C1=O ZINC000410314612 558751333 /nfs/dbraw/zinc/75/13/33/558751333.db2.gz BXDBEWAKMLTIDV-SFHVURJKSA-N 1 2 363.889 2.123 20 30 FEEDLO COc1cc(CNC(=O)C(=O)Nc2c(C)cc(C)[nH+]c2C)ccc1C#N ZINC000411542748 558913901 /nfs/dbraw/zinc/91/39/01/558913901.db2.gz JFHBIELAXNZDAK-UHFFFAOYSA-N 1 2 352.394 2.142 20 30 FEEDLO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCN(C)C(=O)[C@@H]3C)sc2C1 ZINC000411570454 558919670 /nfs/dbraw/zinc/91/96/70/558919670.db2.gz NRRXBBWMZSNHIZ-STQMWFEESA-N 1 2 374.510 2.236 20 30 FEEDLO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCN(C)C(=O)[C@@H]3C)sc2C1 ZINC000411570454 558919671 /nfs/dbraw/zinc/91/96/71/558919671.db2.gz NRRXBBWMZSNHIZ-STQMWFEESA-N 1 2 374.510 2.236 20 30 FEEDLO C=CCSc1ccccc1NC(=O)C[NH+]1CCC(NC(=O)NC)CC1 ZINC000412052964 559007032 /nfs/dbraw/zinc/00/70/32/559007032.db2.gz GYVJNMKFHIIMLL-UHFFFAOYSA-N 1 2 362.499 2.297 20 30 FEEDLO Cn1c[nH+]cc1CC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N ZINC000526067317 562265806 /nfs/dbraw/zinc/26/58/06/562265806.db2.gz DVHMACKEBRGZKY-UHFFFAOYSA-N 1 2 351.410 2.184 20 30 FEEDLO Cc1cc(Nc2cnn(CC[NH+]3CCOCC3)c2)c(C#N)cc1[N+](=O)[O-] ZINC000413113849 559079489 /nfs/dbraw/zinc/07/94/89/559079489.db2.gz DAZRFABVNPJVRN-UHFFFAOYSA-N 1 2 356.386 2.047 20 30 FEEDLO Cc1cc(NC(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)c(C#N)cc1N(C)C ZINC000417165676 559350770 /nfs/dbraw/zinc/35/07/70/559350770.db2.gz WFRHTZBOVXCSCG-WBVHZDCISA-N 1 2 371.485 2.260 20 30 FEEDLO CC(C)(C)OC(=O)C[NH2+][C@]1(C)CCN(c2nc3c(cc2C#N)CCC3)C1 ZINC000418935335 559422572 /nfs/dbraw/zinc/42/25/72/559422572.db2.gz ANRUHAZEBIMPGP-HXUWFJFHSA-N 1 2 356.470 2.342 20 30 FEEDLO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](c1ccco1)c1ccc(OC)cc1 ZINC000419277899 559435076 /nfs/dbraw/zinc/43/50/76/559435076.db2.gz GYJLCVFPYIYRSW-GUYCJALGSA-N 1 2 357.410 2.368 20 30 FEEDLO COc1cc[nH+]cc1NC(=O)C(=O)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000419825146 559461258 /nfs/dbraw/zinc/46/12/58/559461258.db2.gz UVHVEWHGUSXXGL-HNNXBMFYSA-N 1 2 350.378 2.094 20 30 FEEDLO CC[C@@H]1C[C@H](NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCO1 ZINC000420883969 559509271 /nfs/dbraw/zinc/50/92/71/559509271.db2.gz APGBYUKWUMBKRS-RTBURBONSA-N 1 2 356.470 2.343 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2C[C@@H](CO)OC(C)(C)C2)c1 ZINC000420929446 559512284 /nfs/dbraw/zinc/51/22/84/559512284.db2.gz DEHBMPQWWHVSQV-HKUYNNGSSA-N 1 2 373.497 2.410 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2C[C@@H](CO)OC(C)(C)C2)c1 ZINC000420929446 559512285 /nfs/dbraw/zinc/51/22/85/559512285.db2.gz DEHBMPQWWHVSQV-HKUYNNGSSA-N 1 2 373.497 2.410 20 30 FEEDLO CCOc1ccc(C#N)cc1NC(=O)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000421253479 559533718 /nfs/dbraw/zinc/53/37/18/559533718.db2.gz XHHUMNWOCYOHFR-UHFFFAOYSA-N 1 2 352.394 2.224 20 30 FEEDLO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000422533770 559593353 /nfs/dbraw/zinc/59/33/53/559593353.db2.gz XWDXCPRYXQAYHQ-QZTJIDSGSA-N 1 2 366.465 2.419 20 30 FEEDLO C=CCn1cc(C[NH2+][C@H](CN2CCOCC2)c2ccc(CC)cc2)nn1 ZINC000424294332 559660835 /nfs/dbraw/zinc/66/08/35/559660835.db2.gz KPTPZYGMCJHONA-HXUWFJFHSA-N 1 2 355.486 2.190 20 30 FEEDLO N#C[C@H]1CC[C@@H](NC(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)C1 ZINC000424978218 559681900 /nfs/dbraw/zinc/68/19/00/559681900.db2.gz OPTFFSAXXXCKFU-WMLDXEAASA-N 1 2 351.410 2.334 20 30 FEEDLO C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000425084350 559686638 /nfs/dbraw/zinc/68/66/38/559686638.db2.gz JPMZVPWZQKMGKO-WFASDCNBSA-N 1 2 355.360 2.277 20 30 FEEDLO C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000425084350 559686639 /nfs/dbraw/zinc/68/66/39/559686639.db2.gz JPMZVPWZQKMGKO-WFASDCNBSA-N 1 2 355.360 2.277 20 30 FEEDLO Cc1cc(NCc2ccccc2OCC[NH+]2CCOCC2)c(C#N)cn1 ZINC000425215371 559691779 /nfs/dbraw/zinc/69/17/79/559691779.db2.gz NBJQSZFXKABEKI-UHFFFAOYSA-N 1 2 352.438 2.007 20 30 FEEDLO CC(C)(C)OC(=O)C[NH2+][C@@]1(C)CCN(c2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000425263101 559694033 /nfs/dbraw/zinc/69/40/33/559694033.db2.gz TYGLPTZFAZECSD-SFHVURJKSA-N 1 2 360.414 2.367 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)cc1F ZINC000427746155 559761272 /nfs/dbraw/zinc/76/12/72/559761272.db2.gz GQYBGWFZGFDURJ-UHFFFAOYSA-N 1 2 357.370 2.138 20 30 FEEDLO CCc1ccc(CNC(=O)C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)s1 ZINC000428786998 559783325 /nfs/dbraw/zinc/78/33/25/559783325.db2.gz TVINXANRIKORQJ-HNNXBMFYSA-N 1 2 370.478 2.347 20 30 FEEDLO CCc1ccc(CNC(=O)C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)s1 ZINC000428786998 559783326 /nfs/dbraw/zinc/78/33/26/559783326.db2.gz TVINXANRIKORQJ-HNNXBMFYSA-N 1 2 370.478 2.347 20 30 FEEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+](C)[C@@H](CO)COC(C)C)c1C ZINC000433270794 559875279 /nfs/dbraw/zinc/87/52/79/559875279.db2.gz RNVMGSDFGAVZDR-SFHVURJKSA-N 1 2 361.486 2.268 20 30 FEEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+](C)[C@@H](CO)COC(C)C)c1C ZINC000433270794 559875280 /nfs/dbraw/zinc/87/52/80/559875280.db2.gz RNVMGSDFGAVZDR-SFHVURJKSA-N 1 2 361.486 2.268 20 30 FEEDLO Cc1c(NC(=O)[C@@H](C)[N@H+](C)CC(C)(C)C#N)c(=O)n(-c2ccccc2)n1C ZINC000433317904 559876789 /nfs/dbraw/zinc/87/67/89/559876789.db2.gz FQEATAKMQKGLQZ-OAHLLOKOSA-N 1 2 369.469 2.293 20 30 FEEDLO Cc1c(NC(=O)[C@@H](C)[N@@H+](C)CC(C)(C)C#N)c(=O)n(-c2ccccc2)n1C ZINC000433317904 559876790 /nfs/dbraw/zinc/87/67/90/559876790.db2.gz FQEATAKMQKGLQZ-OAHLLOKOSA-N 1 2 369.469 2.293 20 30 FEEDLO N#Cc1ccc(NC(=O)C(=O)NCc2cccc(-n3cc[nH+]c3)c2)c(F)c1 ZINC000433888664 559889900 /nfs/dbraw/zinc/88/99/00/559889900.db2.gz SIPJROCLHIEYNC-UHFFFAOYSA-N 1 2 363.352 2.138 20 30 FEEDLO C[C@@H]1CN(CC[N@H+](C)Cc2nnc(-c3cccc(C#N)c3)o2)C[C@H](C)O1 ZINC000434706712 559907105 /nfs/dbraw/zinc/90/71/05/559907105.db2.gz OAQVTQFJDXERSY-GASCZTMLSA-N 1 2 355.442 2.149 20 30 FEEDLO C[C@@H]1CN(CC[N@@H+](C)Cc2nnc(-c3cccc(C#N)c3)o2)C[C@H](C)O1 ZINC000434706712 559907106 /nfs/dbraw/zinc/90/71/06/559907106.db2.gz OAQVTQFJDXERSY-GASCZTMLSA-N 1 2 355.442 2.149 20 30 FEEDLO N#Cc1cnc(C(=O)N2CC[NH+](CCOc3ccccc3)CC2)c(Cl)c1 ZINC000434916155 559912432 /nfs/dbraw/zinc/91/24/32/559912432.db2.gz TWAMBTRPUPEGFF-UHFFFAOYSA-N 1 2 370.840 2.443 20 30 FEEDLO C[C@@H](CNS(=O)(=O)c1ccc(C#N)s1)[N@@H+]1CCc2ccccc2C1 ZINC000435434064 559922812 /nfs/dbraw/zinc/92/28/12/559922812.db2.gz QIJRNGIWPLAZNC-ZDUSSCGKSA-N 1 2 361.492 2.345 20 30 FEEDLO C[C@@H](CNS(=O)(=O)c1ccc(C#N)s1)[N@H+]1CCc2ccccc2C1 ZINC000435434064 559922813 /nfs/dbraw/zinc/92/28/13/559922813.db2.gz QIJRNGIWPLAZNC-ZDUSSCGKSA-N 1 2 361.492 2.345 20 30 FEEDLO N#Cc1cc(F)ccc1NC(=O)C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000435662285 559927603 /nfs/dbraw/zinc/92/76/03/559927603.db2.gz JWCMMABHKWJNKR-UHFFFAOYSA-N 1 2 371.759 2.253 20 30 FEEDLO COc1ccc(O)cc1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000435827196 559930706 /nfs/dbraw/zinc/93/07/06/559930706.db2.gz QMPIGZILKSAXNW-UHFFFAOYSA-N 1 2 351.406 2.230 20 30 FEEDLO CC[C@H](C#N)Sc1nnc([C@@H](CC)[NH+](C)C)n1CCN1CCOCC1 ZINC000436058061 559934496 /nfs/dbraw/zinc/93/44/96/559934496.db2.gz JKTQVTPCOLXBAE-HUUCEWRRSA-N 1 2 366.535 2.017 20 30 FEEDLO COc1cc2c(cc1OC)C[N@H+](CCNC(=O)c1cc(C#N)cs1)CC2 ZINC000438069838 559973701 /nfs/dbraw/zinc/97/37/01/559973701.db2.gz FXIAZQAMWIIDSL-UHFFFAOYSA-N 1 2 371.462 2.425 20 30 FEEDLO COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)c1cc(C#N)cs1)CC2 ZINC000438069838 559973702 /nfs/dbraw/zinc/97/37/02/559973702.db2.gz FXIAZQAMWIIDSL-UHFFFAOYSA-N 1 2 371.462 2.425 20 30 FEEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000440922657 560019655 /nfs/dbraw/zinc/01/96/55/560019655.db2.gz ZIJFCPFPIWFFHB-GOEBONIOSA-N 1 2 355.438 2.318 20 30 FEEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000440922657 560019656 /nfs/dbraw/zinc/01/96/56/560019656.db2.gz ZIJFCPFPIWFFHB-GOEBONIOSA-N 1 2 355.438 2.318 20 30 FEEDLO CC(C)(C)OC(=O)C[NH2+][C@]1(C)CCN(C(=O)NCC#Cc2ccccc2)C1 ZINC000441166936 560025583 /nfs/dbraw/zinc/02/55/83/560025583.db2.gz KZRNRVVPGLNBSR-OAQYLSRUSA-N 1 2 371.481 2.143 20 30 FEEDLO COc1cc(C[NH+]2CCN(Cc3nccn3C(F)F)CC2)ccc1C#N ZINC000442816442 560058189 /nfs/dbraw/zinc/05/81/89/560058189.db2.gz XLAUFRBPYNXDDO-UHFFFAOYSA-N 1 2 361.396 2.476 20 30 FEEDLO N#Cc1ccccc1S(=O)(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000443103519 560070710 /nfs/dbraw/zinc/07/07/10/560070710.db2.gz PJUWZGMDXHFRSS-UHFFFAOYSA-N 1 2 356.451 2.422 20 30 FEEDLO N#Cc1cccc(CCNS(=O)(=O)c2ccccc2Cn2cc[nH+]c2)c1 ZINC000443209855 560074733 /nfs/dbraw/zinc/07/47/33/560074733.db2.gz GQAYRCZWPVMUBB-UHFFFAOYSA-N 1 2 366.446 2.324 20 30 FEEDLO CC1(C)CCCN(CC(=O)N2CC[NH+](Cc3ccsc3)CC2)[C@@H]1C#N ZINC000444721172 560118812 /nfs/dbraw/zinc/11/88/12/560118812.db2.gz DTHVLTDWDLREGY-QGZVFWFLSA-N 1 2 360.527 2.406 20 30 FEEDLO COC(=O)[C@@H]1C[C@@H](C)CC[N@@H+]1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000447876658 560171886 /nfs/dbraw/zinc/17/18/86/560171886.db2.gz ATOXUHNXLIAMDC-QGTPRVQTSA-N 1 2 355.438 2.327 20 30 FEEDLO COC(=O)[C@@H]1C[C@@H](C)CC[N@H+]1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000447876658 560171887 /nfs/dbraw/zinc/17/18/87/560171887.db2.gz ATOXUHNXLIAMDC-QGTPRVQTSA-N 1 2 355.438 2.327 20 30 FEEDLO Cc1[nH]c(C#N)cc1C(=O)NC[C@@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000448693285 560194698 /nfs/dbraw/zinc/19/46/98/560194698.db2.gz AYCXXZOTNSGTIK-IBGZPJMESA-N 1 2 352.438 2.307 20 30 FEEDLO C[C@H]([C@H](C)NC(=O)c1cccc(C#N)c1Br)[NH+]1CCOCC1 ZINC000448915163 560206423 /nfs/dbraw/zinc/20/64/23/560206423.db2.gz CIJKBFAGWIQEII-NWDGAFQWSA-N 1 2 366.259 2.160 20 30 FEEDLO C=CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2cnn(C)c2)[C@@H](C)C1 ZINC000449763762 560239413 /nfs/dbraw/zinc/23/94/13/560239413.db2.gz VGCDXWCZAGWKIK-INIZCTEOSA-N 1 2 354.454 2.331 20 30 FEEDLO C=CCOc1ccccc1C[N@H+]1CCN(C(=O)c2cnn(C)c2)[C@@H](C)C1 ZINC000449763762 560239414 /nfs/dbraw/zinc/23/94/14/560239414.db2.gz VGCDXWCZAGWKIK-INIZCTEOSA-N 1 2 354.454 2.331 20 30 FEEDLO Cn1c(C#N)ccc1C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000450315371 560258348 /nfs/dbraw/zinc/25/83/48/560258348.db2.gz CVMPQLNJKZXHAY-ROUUACIJSA-N 1 2 372.856 2.352 20 30 FEEDLO Cn1c(C#N)ccc1C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000450315371 560258349 /nfs/dbraw/zinc/25/83/49/560258349.db2.gz CVMPQLNJKZXHAY-ROUUACIJSA-N 1 2 372.856 2.352 20 30 FEEDLO N#CCc1ccc(S(=O)(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)c(Cl)c1 ZINC000451055470 560284885 /nfs/dbraw/zinc/28/48/85/560284885.db2.gz DJSOXFJQXREBBR-CQSZACIVSA-N 1 2 353.875 2.265 20 30 FEEDLO N#CCc1ccc(S(=O)(=O)N2CC[N@H+]3CCCC[C@@H]3C2)c(Cl)c1 ZINC000451055470 560284886 /nfs/dbraw/zinc/28/48/86/560284886.db2.gz DJSOXFJQXREBBR-CQSZACIVSA-N 1 2 353.875 2.265 20 30 FEEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NS(=O)(=O)CC(C)(C)CC#N)C2 ZINC000451184939 560291973 /nfs/dbraw/zinc/29/19/73/560291973.db2.gz MSLQKGSFFLWFGR-ZDUSSCGKSA-N 1 2 352.504 2.355 20 30 FEEDLO N#Cc1cccc(NC(=O)C[N@@H+]2C[C@H](c3ccccc3)[C@@](F)(CO)C2)c1 ZINC000451256222 560296415 /nfs/dbraw/zinc/29/64/15/560296415.db2.gz DWBNZTDNGMEFCP-QUCCMNQESA-N 1 2 353.397 2.297 20 30 FEEDLO N#Cc1cccc(NC(=O)C[N@H+]2C[C@H](c3ccccc3)[C@@](F)(CO)C2)c1 ZINC000451256222 560296416 /nfs/dbraw/zinc/29/64/16/560296416.db2.gz DWBNZTDNGMEFCP-QUCCMNQESA-N 1 2 353.397 2.297 20 30 FEEDLO Cn1ccnc1[C@H]1[N@H+](C[C@@H](O)COc2ccc(CC#N)cc2)CC1(C)C ZINC000453023744 560381491 /nfs/dbraw/zinc/38/14/91/560381491.db2.gz RPZCYRABRPOVRE-SJLPKXTDSA-N 1 2 354.454 2.309 20 30 FEEDLO Cn1ccnc1[C@H]1[N@@H+](C[C@@H](O)COc2ccc(CC#N)cc2)CC1(C)C ZINC000453023744 560381492 /nfs/dbraw/zinc/38/14/92/560381492.db2.gz RPZCYRABRPOVRE-SJLPKXTDSA-N 1 2 354.454 2.309 20 30 FEEDLO Cn1cc[nH+]c1[C@H]1N(C[C@@H](O)COc2ccc(CC#N)cc2)CC1(C)C ZINC000453023744 560381493 /nfs/dbraw/zinc/38/14/93/560381493.db2.gz RPZCYRABRPOVRE-SJLPKXTDSA-N 1 2 354.454 2.309 20 30 FEEDLO C=CCNC(=O)CN1CC[NH+](Cc2sc(C)cc2Br)CC1 ZINC000453568240 560388995 /nfs/dbraw/zinc/38/89/95/560388995.db2.gz XMMVZXJFOOXWEZ-UHFFFAOYSA-N 1 2 372.332 2.239 20 30 FEEDLO Cn1cc(C[NH+]2CCN(C(=O)Nc3ccc(CC#N)cc3Cl)CC2)cn1 ZINC000455711287 560492697 /nfs/dbraw/zinc/49/26/97/560492697.db2.gz YJKCPGKPSPYBJN-UHFFFAOYSA-N 1 2 372.860 2.489 20 30 FEEDLO C[C@H]1CN(C(=O)C(C)(C)Cc2ccc(C#N)cc2)C[C@H]1[NH+]1CCOCC1 ZINC000455804148 560495238 /nfs/dbraw/zinc/49/52/38/560495238.db2.gz IZPVNCLHPZCIIW-QFBILLFUSA-N 1 2 355.482 2.306 20 30 FEEDLO Cc1cc(C#N)cc(NC(=O)NCc2ccc[nH+]c2N2CCOCC2)c1 ZINC000456007531 560504145 /nfs/dbraw/zinc/50/41/45/560504145.db2.gz RJIJCKXFLYVFMB-UHFFFAOYSA-N 1 2 351.410 2.420 20 30 FEEDLO C=CCC[C@@H](NC(=O)c1ccccc1C[NH+]1CCOCC1)C(=O)OCC ZINC000456632484 560526634 /nfs/dbraw/zinc/52/66/34/560526634.db2.gz UDIUTZNKBBKZNO-GOSISDBHSA-N 1 2 360.454 2.147 20 30 FEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@](C)([NH2+]CC(=O)OC(C)(C)C)C1 ZINC000457780313 560587216 /nfs/dbraw/zinc/58/72/16/560587216.db2.gz SGCGXTTZIOCIGF-KNBMTAEXSA-N 1 2 366.502 2.280 20 30 FEEDLO C=CCOc1ccc(Br)cc1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000458008182 560598795 /nfs/dbraw/zinc/59/87/95/560598795.db2.gz CHQCOYPPJSURNS-CQSZACIVSA-N 1 2 355.232 2.283 20 30 FEEDLO C=CCOc1ccc(Br)cc1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000458008182 560598796 /nfs/dbraw/zinc/59/87/96/560598796.db2.gz CHQCOYPPJSURNS-CQSZACIVSA-N 1 2 355.232 2.283 20 30 FEEDLO C=CCC[C@H](CO)NC(=O)NC[C@@H](c1cccs1)[N@H+]1CCO[C@@H](C)C1 ZINC000458517049 560628977 /nfs/dbraw/zinc/62/89/77/560628977.db2.gz QKUVUYMIAJFABV-XHSDSOJGSA-N 1 2 367.515 2.136 20 30 FEEDLO C=CCC[C@H](CO)NC(=O)NC[C@@H](c1cccs1)[N@@H+]1CCO[C@@H](C)C1 ZINC000458517049 560628978 /nfs/dbraw/zinc/62/89/78/560628978.db2.gz QKUVUYMIAJFABV-XHSDSOJGSA-N 1 2 367.515 2.136 20 30 FEEDLO COCC[N@H+](CC(=O)Nc1oc(C)c(C)c1C#N)Cc1c(C)nn(C)c1C ZINC000459571719 560695059 /nfs/dbraw/zinc/69/50/59/560695059.db2.gz PGSJGAIEXFFOOF-UHFFFAOYSA-N 1 2 373.457 2.206 20 30 FEEDLO COCC[N@@H+](CC(=O)Nc1oc(C)c(C)c1C#N)Cc1c(C)nn(C)c1C ZINC000459571719 560695060 /nfs/dbraw/zinc/69/50/60/560695060.db2.gz PGSJGAIEXFFOOF-UHFFFAOYSA-N 1 2 373.457 2.206 20 30 FEEDLO C=C(C)CN(CC)C(=O)C(=O)N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000459823690 560710920 /nfs/dbraw/zinc/71/09/20/560710920.db2.gz RAAKNGDAFFEGOT-KRWDZBQOSA-N 1 2 373.497 2.325 20 30 FEEDLO C[C@H](C(=O)N(CCC#N)CC[NH+]1CCOCC1)c1ccc(F)c(F)c1 ZINC000460907371 560755196 /nfs/dbraw/zinc/75/51/96/560755196.db2.gz WTPKXHYHDNQPOY-AWEZNQCLSA-N 1 2 351.397 2.143 20 30 FEEDLO Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)N[C@@H]2CCC[C@@H]2C#N)cc1 ZINC000461947359 560789265 /nfs/dbraw/zinc/78/92/65/560789265.db2.gz PKSTZQSSCWRFQY-QRVBRYPASA-N 1 2 356.470 2.360 20 30 FEEDLO CN(CC[NH+]1CCOCC1)C(=O)c1cn(CCCC#N)c2ccccc12 ZINC000469232137 560950470 /nfs/dbraw/zinc/95/04/70/560950470.db2.gz SGZZGLWNOBVFEU-UHFFFAOYSA-N 1 2 354.454 2.349 20 30 FEEDLO C[C@H](C(=O)N(C)CCC#N)[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000471004245 560996296 /nfs/dbraw/zinc/99/62/96/560996296.db2.gz HIWAWVVWMVTTLW-CRAIPNDOSA-N 1 2 373.888 2.283 20 30 FEEDLO C[C@H](C[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1)CS(C)(=O)=O ZINC000471014447 560996395 /nfs/dbraw/zinc/99/63/95/560996395.db2.gz KMTMQLZMMHSJFP-RHSMWYFYSA-N 1 2 369.918 2.203 20 30 FEEDLO Cc1nn(C)c(N2CC[NH+]([C@@H](C)C(=O)Nc3cccc(C)c3)CC2)c1C#N ZINC000472151803 561019393 /nfs/dbraw/zinc/01/93/93/561019393.db2.gz GVDZCLQTHGBPLL-INIZCTEOSA-N 1 2 366.469 2.058 20 30 FEEDLO Cc1nn(C)c(N2CC[NH+]([C@H](C)C(=O)Nc3ccccc3C)CC2)c1C#N ZINC000472164458 561019916 /nfs/dbraw/zinc/01/99/16/561019916.db2.gz UOGZZNWDOMPXFS-MRXNPFEDSA-N 1 2 366.469 2.058 20 30 FEEDLO COC(=O)[C@H]1C[C@H](O)C[N@@H+]1Cc1cccc(OCc2ccccc2C#N)c1 ZINC000473379134 561048897 /nfs/dbraw/zinc/04/88/97/561048897.db2.gz KHWADDBURIFKIU-AZUAARDMSA-N 1 2 366.417 2.245 20 30 FEEDLO COC(=O)[C@H]1C[C@H](O)C[N@H+]1Cc1cccc(OCc2ccccc2C#N)c1 ZINC000473379134 561048898 /nfs/dbraw/zinc/04/88/98/561048898.db2.gz KHWADDBURIFKIU-AZUAARDMSA-N 1 2 366.417 2.245 20 30 FEEDLO N#CC[C@@H](CC(=O)N1CC[C@H](OCC[NH+]2CCOCC2)C1)c1ccccc1 ZINC000476338764 561116936 /nfs/dbraw/zinc/11/69/36/561116936.db2.gz ZZEBGKKZMKFXOU-PMACEKPBSA-N 1 2 371.481 2.024 20 30 FEEDLO Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)N2CCC(F)(C#N)CC2)cc1 ZINC000476839782 561129667 /nfs/dbraw/zinc/12/96/67/561129667.db2.gz ARBSNBDPPGWEHO-SFHVURJKSA-N 1 2 374.460 2.406 20 30 FEEDLO C[C@H](Sc1nnc(CC#N)n1C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000477082144 561136067 /nfs/dbraw/zinc/13/60/67/561136067.db2.gz HLCPWJWGISSTOI-NSHDSACASA-N 1 2 367.438 2.391 20 30 FEEDLO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000528283402 562320564 /nfs/dbraw/zinc/32/05/64/562320564.db2.gz OCKKHGZAGYJKDI-GGXPGOJBSA-N 1 2 356.470 2.197 20 30 FEEDLO N#Cc1ccccc1OC[C@@H](O)C[NH+]1CCN(c2ncccc2Cl)CC1 ZINC000528420120 562328334 /nfs/dbraw/zinc/32/83/34/562328334.db2.gz XXYKIOSKWZYIRJ-INIZCTEOSA-N 1 2 372.856 2.169 20 30 FEEDLO N#Cc1cccc(-c2nnc(C[NH2+][C@]3(CO)COc4ccccc4C3)o2)c1 ZINC000528647863 562340356 /nfs/dbraw/zinc/34/03/56/562340356.db2.gz AHSHFRIFEXBWDG-HXUWFJFHSA-N 1 2 362.389 2.064 20 30 FEEDLO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCc2nc(C3CC3)ncc2C1 ZINC000528742014 562345266 /nfs/dbraw/zinc/34/52/66/562345266.db2.gz QPDWVZQEAZBLJQ-QGZVFWFLSA-N 1 2 350.422 2.024 20 30 FEEDLO N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCc2nc(C3CC3)ncc2C1 ZINC000528742014 562345267 /nfs/dbraw/zinc/34/52/67/562345267.db2.gz QPDWVZQEAZBLJQ-QGZVFWFLSA-N 1 2 350.422 2.024 20 30 FEEDLO N#Cc1ccc(CC(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)cn1 ZINC000529129081 562361686 /nfs/dbraw/zinc/36/16/86/562361686.db2.gz KIXIKJIURCGBJJ-UHFFFAOYSA-N 1 2 354.841 2.324 20 30 FEEDLO N#Cc1ccc(CC(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)cn1 ZINC000529129081 562361687 /nfs/dbraw/zinc/36/16/87/562361687.db2.gz KIXIKJIURCGBJJ-UHFFFAOYSA-N 1 2 354.841 2.324 20 30 FEEDLO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000530391799 562409543 /nfs/dbraw/zinc/40/95/43/562409543.db2.gz HAOLWJMABLRLGY-MRXNPFEDSA-N 1 2 373.497 2.314 20 30 FEEDLO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000530391799 562409544 /nfs/dbraw/zinc/40/95/44/562409544.db2.gz HAOLWJMABLRLGY-MRXNPFEDSA-N 1 2 373.497 2.314 20 30 FEEDLO C[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)Cc1ccc2c(c1)OCCO2 ZINC000531382445 562444109 /nfs/dbraw/zinc/44/41/09/562444109.db2.gz JLJDABROMMHHKD-UHFFFAOYSA-N 1 2 372.446 2.235 20 30 FEEDLO C[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)Cc1ccc2c(c1)OCCO2 ZINC000531382445 562444110 /nfs/dbraw/zinc/44/41/10/562444110.db2.gz JLJDABROMMHHKD-UHFFFAOYSA-N 1 2 372.446 2.235 20 30 FEEDLO CC1CC(C#N)(C(=O)Nc2ccc3nc(CC[NH+]4CCOCC4)[nH]c3c2)C1 ZINC000532326708 562474070 /nfs/dbraw/zinc/47/40/70/562474070.db2.gz MDPQVMZTWGFTEE-UHFFFAOYSA-N 1 2 367.453 2.316 20 30 FEEDLO CCCCCC(=O)NC1CC[NH+]([C@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000532943766 562493279 /nfs/dbraw/zinc/49/32/79/562493279.db2.gz LMCPMYJHFJTWJQ-IBGZPJMESA-N 1 2 356.470 2.246 20 30 FEEDLO Cc1c(C#N)cccc1NC(=O)C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000533207420 562501612 /nfs/dbraw/zinc/50/16/12/562501612.db2.gz BPYGTTKALRNDQN-SFHVURJKSA-N 1 2 373.416 2.445 20 30 FEEDLO N#Cc1ccc([C@@H](C(N)=O)[NH+]2CCC(C(=O)Nc3ccccc3)CC2)cc1 ZINC000533215586 562501747 /nfs/dbraw/zinc/50/17/47/562501747.db2.gz NYRUQWBSAKHZQP-IBGZPJMESA-N 1 2 362.433 2.435 20 30 FEEDLO Cc1cccc(NC(=O)C(=O)N2CC[NH+](Cc3ccsc3)CC2)c1C#N ZINC000535259771 562554340 /nfs/dbraw/zinc/55/43/40/562554340.db2.gz FLZPCAQDWGBAFE-UHFFFAOYSA-N 1 2 368.462 2.211 20 30 FEEDLO C[C@@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@@H]1CCCOC1 ZINC000540938294 562597641 /nfs/dbraw/zinc/59/76/41/562597641.db2.gz QARFKDDLQRFZHF-VQIMIIECSA-N 1 2 356.470 2.201 20 30 FEEDLO C=C(C)Cn1c(C2CCC2)nnc1N1CC[NH+](CC(=O)N[C@@H](C)CC)CC1 ZINC000549726238 562638543 /nfs/dbraw/zinc/63/85/43/562638543.db2.gz RTXXEXKAKYSOQQ-INIZCTEOSA-N 1 2 374.533 2.158 20 30 FEEDLO N#CCc1cccc2c1CC[N@@H+](Cc1ccc(S(N)(=O)=O)cc1F)C2 ZINC000602730600 568024813 /nfs/dbraw/zinc/02/48/13/568024813.db2.gz RHYLALXAFFCWIW-UHFFFAOYSA-N 1 2 359.426 2.097 20 30 FEEDLO N#CCc1cccc2c1CC[N@H+](Cc1ccc(S(N)(=O)=O)cc1F)C2 ZINC000602730600 568024814 /nfs/dbraw/zinc/02/48/14/568024814.db2.gz RHYLALXAFFCWIW-UHFFFAOYSA-N 1 2 359.426 2.097 20 30 FEEDLO CCCOc1ccc(CNC(=O)C[N@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)cc1 ZINC000602860474 568049368 /nfs/dbraw/zinc/04/93/68/568049368.db2.gz IMTAAUHPHAXUON-CALCHBBNSA-N 1 2 358.486 2.010 20 30 FEEDLO CCCOc1ccc(CNC(=O)C[N@@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)cc1 ZINC000602860474 568049370 /nfs/dbraw/zinc/04/93/70/568049370.db2.gz IMTAAUHPHAXUON-CALCHBBNSA-N 1 2 358.486 2.010 20 30 FEEDLO C[C@@H]1C[NH+](CC(=O)Nc2ccc(Br)cc2)C[C@@H](C)N1CC#N ZINC000602860896 568049481 /nfs/dbraw/zinc/04/94/81/568049481.db2.gz JRWWUASMZBRALQ-CHWSQXEVSA-N 1 2 365.275 2.306 20 30 FEEDLO C[C@H](C(=O)N1CCSc2ccccc21)[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602861898 568049687 /nfs/dbraw/zinc/04/96/87/568049687.db2.gz MPBYCXUYRVAHIB-HRCADAONSA-N 1 2 358.511 2.432 20 30 FEEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH2+][C@@H](CF)c2ccc(F)cc2)CC1 ZINC000603017611 568052036 /nfs/dbraw/zinc/05/20/36/568052036.db2.gz JFAVPNMCDLLKFN-ZWKOTPCHSA-N 1 2 364.440 2.118 20 30 FEEDLO CCOc1ccc(CN(C)C(=O)C[NH+]2CCN([C@@H](C#N)C(C)C)CC2)cc1 ZINC000609485582 568346082 /nfs/dbraw/zinc/34/60/82/568346082.db2.gz SUVSQYVJYLCLAC-FQEVSTJZSA-N 1 2 372.513 2.209 20 30 FEEDLO C=CC[N@H+](Cc1cccc(-c2nn[nH]n2)c1)CN1C[C@@H](C(C)C)CC1=O ZINC000735426195 598828020 /nfs/dbraw/zinc/82/80/20/598828020.db2.gz LOYPMUKKVDUOTM-KRWDZBQOSA-N 1 2 354.458 2.317 20 30 FEEDLO C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)CN1C[C@@H](C(C)C)CC1=O ZINC000735426195 598828021 /nfs/dbraw/zinc/82/80/21/598828021.db2.gz LOYPMUKKVDUOTM-KRWDZBQOSA-N 1 2 354.458 2.317 20 30 FEEDLO C[N@H+](Cc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1)Cc1cccc(C#N)c1 ZINC000821613607 599559612 /nfs/dbraw/zinc/55/96/12/599559612.db2.gz UUJTZUXFMYWJSZ-UHFFFAOYSA-N 1 2 372.392 2.420 20 30 FEEDLO C[N@@H+](Cc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1)Cc1cccc(C#N)c1 ZINC000821613607 599559614 /nfs/dbraw/zinc/55/96/14/599559614.db2.gz UUJTZUXFMYWJSZ-UHFFFAOYSA-N 1 2 372.392 2.420 20 30 FEEDLO C#C[C@@H]([NH2+]Cc1cn(-c2ccccc2Br)nn1)[C@@H]1CCCO1 ZINC000810153069 674534759 /nfs/dbraw/zinc/53/47/59/674534759.db2.gz MFDGKZHKKQZAAX-ZBFHGGJFSA-N 1 2 361.243 2.300 20 30 FEEDLO Cc1oc(NC(=O)[C@H](C)[NH+]2CCC(C)(C#N)CC2)c(-c2nn[nH]n2)c1C ZINC000826341774 609143455 /nfs/dbraw/zinc/14/34/55/609143455.db2.gz PRFWOIDWOKDHJT-NSHDSACASA-N 1 2 357.418 2.029 20 30 FEEDLO C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)c1cccc2[nH+]ccn21 ZINC000823915561 609179896 /nfs/dbraw/zinc/17/98/96/609179896.db2.gz ZWHVGDBRZQDITO-UHFFFAOYSA-N 1 2 359.393 2.343 20 30 FEEDLO N#Cc1ccc(N2CCC[C@H]([N@@H+]3CCO[C@]4(CCSC4)C3)C2=O)cc1 ZINC000563067753 674843240 /nfs/dbraw/zinc/84/32/40/674843240.db2.gz IXURAMRCWYAIOZ-PKOBYXMFSA-N 1 2 357.479 2.262 20 30 FEEDLO N#Cc1ccc(N2CCC[C@H]([N@H+]3CCO[C@]4(CCSC4)C3)C2=O)cc1 ZINC000563067753 674843246 /nfs/dbraw/zinc/84/32/46/674843246.db2.gz IXURAMRCWYAIOZ-PKOBYXMFSA-N 1 2 357.479 2.262 20 30 FEEDLO CC(=O)NCC[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)Cc1ccc(C)s1 ZINC000563458862 674891654 /nfs/dbraw/zinc/89/16/54/674891654.db2.gz REFADNCDJMZXRK-SFHVURJKSA-N 1 2 364.515 2.049 20 30 FEEDLO CC(=O)NCC[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)Cc1ccc(C)s1 ZINC000563458862 674891655 /nfs/dbraw/zinc/89/16/55/674891655.db2.gz REFADNCDJMZXRK-SFHVURJKSA-N 1 2 364.515 2.049 20 30 FEEDLO Cc1nsc(NC[C@@H]2C[C@H](C)CCN2C(=O)Cn2cc[nH+]c2)c1C#N ZINC001048187082 675006500 /nfs/dbraw/zinc/00/65/00/675006500.db2.gz JISPXJPISMWKSS-OCCSQVGLSA-N 1 2 358.471 2.259 20 30 FEEDLO C#CCOc1cccc(Cl)c1C[N@H+]1CCc2c(nnn2CCOC)C1 ZINC000816636915 675070109 /nfs/dbraw/zinc/07/01/09/675070109.db2.gz LTZIYBQIZMPSSI-UHFFFAOYSA-N 1 2 360.845 2.148 20 30 FEEDLO C#CCOc1cccc(Cl)c1C[N@@H+]1CCc2c(nnn2CCOC)C1 ZINC000816636915 675070114 /nfs/dbraw/zinc/07/01/14/675070114.db2.gz LTZIYBQIZMPSSI-UHFFFAOYSA-N 1 2 360.845 2.148 20 30 FEEDLO CC[N@@H+]1CCN(S(=O)(=O)c2cccc(Br)c2C#N)[C@H](C)C1 ZINC000570749365 670763637 /nfs/dbraw/zinc/76/36/37/670763637.db2.gz OPASUVWJFDJTTJ-LLVKDONJSA-N 1 2 372.288 2.035 20 30 FEEDLO CC[N@H+]1CCN(S(=O)(=O)c2cccc(Br)c2C#N)[C@H](C)C1 ZINC000570749365 670763641 /nfs/dbraw/zinc/76/36/41/670763641.db2.gz OPASUVWJFDJTTJ-LLVKDONJSA-N 1 2 372.288 2.035 20 30 FEEDLO COc1ccc(CNC(=O)CO[NH+]=C(N)Cc2ccc(Cl)cc2)cc1 ZINC000106067377 670808250 /nfs/dbraw/zinc/80/82/50/670808250.db2.gz KIMNNPZMGUJBNU-UHFFFAOYSA-N 1 2 361.829 2.496 20 30 FEEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1ccc2c(c1)N(CC(F)F)CCS2 ZINC000565888045 675158402 /nfs/dbraw/zinc/15/84/02/675158402.db2.gz IJVRQIXTZBJIJF-AWEZNQCLSA-N 1 2 370.469 2.482 20 30 FEEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1ccc2c(c1)N(CC(F)F)CCS2 ZINC000565888045 675158404 /nfs/dbraw/zinc/15/84/04/675158404.db2.gz IJVRQIXTZBJIJF-AWEZNQCLSA-N 1 2 370.469 2.482 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCc3ccc(O)cc3CC2)cc1 ZINC000610485189 675975053 /nfs/dbraw/zinc/97/50/53/675975053.db2.gz ZVQCMTOZNHAQTA-UHFFFAOYSA-N 1 2 356.447 2.138 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCc3ccc(O)cc3CC2)cc1 ZINC000610485189 675975055 /nfs/dbraw/zinc/97/50/55/675975055.db2.gz ZVQCMTOZNHAQTA-UHFFFAOYSA-N 1 2 356.447 2.138 20 30 FEEDLO C#CCNC(=O)[C@@H](C)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000153236867 672194938 /nfs/dbraw/zinc/19/49/38/672194938.db2.gz UWYMUHLPPNGKSU-CQSZACIVSA-N 1 2 368.308 2.291 20 30 FEEDLO C#CCNC(=O)[C@@H](C)[NH+]1CCN(CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000153236867 672194941 /nfs/dbraw/zinc/19/49/41/672194941.db2.gz UWYMUHLPPNGKSU-CQSZACIVSA-N 1 2 368.308 2.291 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c(Cl)c1 ZINC000611538989 676043029 /nfs/dbraw/zinc/04/30/29/676043029.db2.gz GUUSHNDYCCEZKL-ZDUSSCGKSA-N 1 2 350.831 2.434 20 30 FEEDLO C[N@H+](CCC#N)C[C@H](O)CNc1ccc(CS(=O)(=O)C(C)(C)C)cc1 ZINC000591773477 672710389 /nfs/dbraw/zinc/71/03/89/672710389.db2.gz YWFBBNUSAZRXAQ-QGZVFWFLSA-N 1 2 367.515 2.018 20 30 FEEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1ccc(CS(=O)(=O)C(C)(C)C)cc1 ZINC000591773477 672710394 /nfs/dbraw/zinc/71/03/94/672710394.db2.gz YWFBBNUSAZRXAQ-QGZVFWFLSA-N 1 2 367.515 2.018 20 30 FEEDLO C[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592144672 672763641 /nfs/dbraw/zinc/76/36/41/672763641.db2.gz HRNJWLUUFRELLM-XHDPSFHLSA-N 1 2 357.332 2.263 20 30 FEEDLO C[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592144672 672763643 /nfs/dbraw/zinc/76/36/43/672763643.db2.gz HRNJWLUUFRELLM-XHDPSFHLSA-N 1 2 357.332 2.263 20 30 FEEDLO C[C@H](CNC(=O)CSCc1ccc(C#N)cc1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594107643 673032138 /nfs/dbraw/zinc/03/21/38/673032138.db2.gz NYMQRIHOXOYXIY-OAGGEKHMSA-N 1 2 361.511 2.405 20 30 FEEDLO C[C@H](CNC(=O)CSCc1ccc(C#N)cc1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594107643 673032142 /nfs/dbraw/zinc/03/21/42/673032142.db2.gz NYMQRIHOXOYXIY-OAGGEKHMSA-N 1 2 361.511 2.405 20 30 FEEDLO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)NCC2CCSCC2)CC1 ZINC000329349669 673075588 /nfs/dbraw/zinc/07/55/88/673075588.db2.gz WNFCXAANPKORFD-UHFFFAOYSA-N 1 2 365.547 2.212 20 30 FEEDLO CN(CCC#N)C[C@@H](O)C[N@@H+]1CC[C@H]1c1ccc(Br)cc1 ZINC000596037305 673351423 /nfs/dbraw/zinc/35/14/23/673351423.db2.gz HJSSNMDHWHZHQI-CVEARBPZSA-N 1 2 352.276 2.402 20 30 FEEDLO CN(CCC#N)C[C@@H](O)C[N@H+]1CC[C@H]1c1ccc(Br)cc1 ZINC000596037305 673351427 /nfs/dbraw/zinc/35/14/27/673351427.db2.gz HJSSNMDHWHZHQI-CVEARBPZSA-N 1 2 352.276 2.402 20 30 FEEDLO CCC1(CC)C[N@H+](C[C@H](O)COc2ccc(CC#N)cc2)CC[S@@]1=O ZINC000613585411 676135473 /nfs/dbraw/zinc/13/54/73/676135473.db2.gz UIXGZWQZBXLNME-GKVSMKOHSA-N 1 2 364.511 2.115 20 30 FEEDLO CCC1(CC)C[N@@H+](C[C@H](O)COc2ccc(CC#N)cc2)CC[S@@]1=O ZINC000613585411 676135475 /nfs/dbraw/zinc/13/54/75/676135475.db2.gz UIXGZWQZBXLNME-GKVSMKOHSA-N 1 2 364.511 2.115 20 30 FEEDLO CCC1(CC)C[N@H+](C[C@@H](O)COc2ccc(CC#N)cc2)CC[S@]1=O ZINC000613585410 676135500 /nfs/dbraw/zinc/13/55/00/676135500.db2.gz UIXGZWQZBXLNME-CRICUBBOSA-N 1 2 364.511 2.115 20 30 FEEDLO CCC1(CC)C[N@@H+](C[C@@H](O)COc2ccc(CC#N)cc2)CC[S@]1=O ZINC000613585410 676135502 /nfs/dbraw/zinc/13/55/02/676135502.db2.gz UIXGZWQZBXLNME-CRICUBBOSA-N 1 2 364.511 2.115 20 30 FEEDLO CC(C)(C)OC(=O)C1([NH2+]C[C@@H](O)CC2(C#N)CCOCC2)CCCC1 ZINC000599329532 673659840 /nfs/dbraw/zinc/65/98/40/673659840.db2.gz MZXVCKMAPDQDJW-HNNXBMFYSA-N 1 2 352.475 2.302 20 30 FEEDLO COC(=O)[C@]1(OC)CC[N@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000599564972 673692225 /nfs/dbraw/zinc/69/22/25/673692225.db2.gz OKLDKZNPWMQMSS-HNNXBMFYSA-N 1 2 353.216 2.085 20 30 FEEDLO COC(=O)[C@]1(OC)CC[N@@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000599564972 673692227 /nfs/dbraw/zinc/69/22/27/673692227.db2.gz OKLDKZNPWMQMSS-HNNXBMFYSA-N 1 2 353.216 2.085 20 30 FEEDLO Cc1nsc(N2CC[NH+](Cc3cccn(C(F)F)c3=O)CC2)c1C#N ZINC000602667606 673909609 /nfs/dbraw/zinc/90/96/09/673909609.db2.gz QPEUAXOWYHSXJU-UHFFFAOYSA-N 1 2 365.409 2.202 20 30 FEEDLO C#CCN1C(=O)C[C@@H]([NH+]2CCC(c3nc(C(F)(F)F)cs3)CC2)C1=O ZINC000821771968 675450805 /nfs/dbraw/zinc/45/08/05/675450805.db2.gz VIUQZMMQGUZWOS-LLVKDONJSA-N 1 2 371.384 2.102 20 30 FEEDLO C[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)C[C@@](C)(O)c1ccccc1 ZINC000823590235 675561832 /nfs/dbraw/zinc/56/18/32/675561832.db2.gz ARFUJJXFGCOOMM-LJQANCHMSA-N 1 2 358.463 2.171 20 30 FEEDLO C[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)C[C@@](C)(O)c1ccccc1 ZINC000823590235 675561835 /nfs/dbraw/zinc/56/18/35/675561835.db2.gz ARFUJJXFGCOOMM-LJQANCHMSA-N 1 2 358.463 2.171 20 30 FEEDLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C#Cc2cccs2)CC1 ZINC000824847415 675625195 /nfs/dbraw/zinc/62/51/95/675625195.db2.gz YTEODUQRSZDNQS-UHFFFAOYSA-N 1 2 353.447 2.126 20 30 FEEDLO C#CCC[NH+]1CCN(C(=O)c2nn(C(C)(C)C)cc2Br)CC1 ZINC000825078329 675635760 /nfs/dbraw/zinc/63/57/60/675635760.db2.gz YEUBLAZTKIXNPD-UHFFFAOYSA-N 1 2 367.291 2.182 20 30 FEEDLO C=CCC1(NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CCCCC1 ZINC000838415537 680690781 /nfs/dbraw/zinc/69/07/81/680690781.db2.gz USUUJIHXOCLEAN-UHFFFAOYSA-N 1 2 371.547 2.074 20 30 FEEDLO C=CC[C@H]1CCC[N@H+](CC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)C1 ZINC000661377803 678472584 /nfs/dbraw/zinc/47/25/84/678472584.db2.gz VZIGKCJLAZTHIB-WMZOPIPTSA-N 1 2 368.543 2.233 20 30 FEEDLO C=CC[C@H]1CCC[N@@H+](CC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)C1 ZINC000661377803 678472589 /nfs/dbraw/zinc/47/25/89/678472589.db2.gz VZIGKCJLAZTHIB-WMZOPIPTSA-N 1 2 368.543 2.233 20 30 FEEDLO C#CCNC(=O)C1CC[NH+]([C@@H](C)C(=O)Nc2ccc(F)cc2Cl)CC1 ZINC000747823952 679905223 /nfs/dbraw/zinc/90/52/23/679905223.db2.gz IEHMYELRIFFEFB-LBPRGKRZSA-N 1 2 365.836 2.268 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1snnc1C ZINC001024701506 680301159 /nfs/dbraw/zinc/30/11/59/680301159.db2.gz DFFUIFIVHRWHGT-ZOBUZTSGSA-N 1 2 364.515 2.298 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@H+]1Cc1snnc1C ZINC001024701506 680301161 /nfs/dbraw/zinc/30/11/61/680301161.db2.gz DFFUIFIVHRWHGT-ZOBUZTSGSA-N 1 2 364.515 2.298 20 30 FEEDLO C=C(Br)C[NH+]1CCC(NC(=O)[C@@H]2CCO[C@H]2C2CC2)CC1 ZINC001003340796 680526248 /nfs/dbraw/zinc/52/62/48/680526248.db2.gz HBHHUKYTRJAEMN-CABCVRRESA-N 1 2 357.292 2.291 20 30 FEEDLO N#Cc1c(Cl)nsc1N[C@@H]1CCCC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001045782627 680640726 /nfs/dbraw/zinc/64/07/26/680640726.db2.gz ZERHESSZWVRYKZ-VXGBXAGGSA-N 1 2 364.862 2.473 20 30 FEEDLO CS(=O)(=O)NCC(=NNc1cc[nH+]c2ccccc12)c1ccccc1 ZINC000766700966 680885316 /nfs/dbraw/zinc/88/53/16/680885316.db2.gz TXUNCQFKNYKZQO-UHFFFAOYSA-N 1 2 354.435 2.022 20 30 FEEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F)CO2 ZINC001053847293 681104243 /nfs/dbraw/zinc/10/42/43/681104243.db2.gz CMMHRYNQKTWPCY-ZNMIVQPWSA-N 1 2 358.404 2.338 20 30 FEEDLO Cn1ccc([C@H]2CCC[N@@H+]([C@@H]3CCN(c4sccc4C#N)C3=O)C2)n1 ZINC000932133477 681182642 /nfs/dbraw/zinc/18/26/42/681182642.db2.gz QXGBBYHOTQKIFI-GOEBONIOSA-N 1 2 355.467 2.338 20 30 FEEDLO Cn1ccc([C@H]2CCC[N@H+]([C@@H]3CCN(c4sccc4C#N)C3=O)C2)n1 ZINC000932133477 681182645 /nfs/dbraw/zinc/18/26/45/681182645.db2.gz QXGBBYHOTQKIFI-GOEBONIOSA-N 1 2 355.467 2.338 20 30 FEEDLO Cn1ccc([C@@H]2CCC[N@@H+]([C@@H]3CCN(c4sccc4C#N)C3=O)C2)n1 ZINC000932133476 681182803 /nfs/dbraw/zinc/18/28/03/681182803.db2.gz QXGBBYHOTQKIFI-GDBMZVCRSA-N 1 2 355.467 2.338 20 30 FEEDLO Cn1ccc([C@@H]2CCC[N@H+]([C@@H]3CCN(c4sccc4C#N)C3=O)C2)n1 ZINC000932133476 681182809 /nfs/dbraw/zinc/18/28/09/681182809.db2.gz QXGBBYHOTQKIFI-GDBMZVCRSA-N 1 2 355.467 2.338 20 30 FEEDLO CON(C)C(=O)C[N@@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932947874 681333603 /nfs/dbraw/zinc/33/36/03/681333603.db2.gz HTBXWNYQZIGRIV-KNVOCYPGSA-N 1 2 370.240 2.109 20 30 FEEDLO CON(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932947874 681333606 /nfs/dbraw/zinc/33/36/06/681333606.db2.gz HTBXWNYQZIGRIV-KNVOCYPGSA-N 1 2 370.240 2.109 20 30 FEEDLO CON(C)C(=O)C[NH+]1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932947872 681333760 /nfs/dbraw/zinc/33/37/60/681333760.db2.gz HTBXWNYQZIGRIV-BQBZGAKWSA-N 1 2 370.240 2.109 20 30 FEEDLO Cn1cc([C@@H]2CSCCC[N@@H+]2CC(=O)Nc2ccc(C#N)cc2)cn1 ZINC000933986689 681492800 /nfs/dbraw/zinc/49/28/00/681492800.db2.gz UQCDPCCTOHAMDW-KRWDZBQOSA-N 1 2 355.467 2.410 20 30 FEEDLO Cn1cc([C@@H]2CSCCC[N@H+]2CC(=O)Nc2ccc(C#N)cc2)cn1 ZINC000933986689 681492801 /nfs/dbraw/zinc/49/28/01/681492801.db2.gz UQCDPCCTOHAMDW-KRWDZBQOSA-N 1 2 355.467 2.410 20 30 FEEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000852435093 682277804 /nfs/dbraw/zinc/27/78/04/682277804.db2.gz JNQQUNRSHMJXCE-SMDDNHRTSA-N 1 2 362.817 2.065 20 30 FEEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000852435093 682277808 /nfs/dbraw/zinc/27/78/08/682277808.db2.gz JNQQUNRSHMJXCE-SMDDNHRTSA-N 1 2 362.817 2.065 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)C1C[NH+](Cc2ccc(F)cc2F)C1 ZINC000970446337 682298338 /nfs/dbraw/zinc/29/83/38/682298338.db2.gz DDSIUHMTLAOFEY-NJAPINKUSA-N 1 2 350.409 2.492 20 30 FEEDLO C#CCC[N@@H+](CCOC)CN1Cc2ccc(Br)cc2C1=O ZINC000853621109 682446427 /nfs/dbraw/zinc/44/64/27/682446427.db2.gz PTPOHNITUCUQIN-UHFFFAOYSA-N 1 2 351.244 2.334 20 30 FEEDLO C#CCC[N@H+](CCOC)CN1Cc2ccc(Br)cc2C1=O ZINC000853621109 682446429 /nfs/dbraw/zinc/44/64/29/682446429.db2.gz PTPOHNITUCUQIN-UHFFFAOYSA-N 1 2 351.244 2.334 20 30 FEEDLO NC(=NOCCC1SCCS1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000853658257 682453437 /nfs/dbraw/zinc/45/34/37/682453437.db2.gz NTNJSGHTFZTAGQ-UHFFFAOYSA-N 1 2 367.540 2.352 20 30 FEEDLO C=C(Br)C[NH+]1CCC(c2nccc(N3CCOCC3)n2)CC1 ZINC000854105628 682514141 /nfs/dbraw/zinc/51/41/41/682514141.db2.gz GOVUVZLSOPTJAN-UHFFFAOYSA-N 1 2 367.291 2.401 20 30 FEEDLO C#C[C@@H](NC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1)C1CCOCC1 ZINC000856111453 682742861 /nfs/dbraw/zinc/74/28/61/682742861.db2.gz SZBOBEGBEOUJAE-MOPGFXCFSA-N 1 2 358.507 2.321 20 30 FEEDLO CCN(C1CC[NH+](Cc2cc(Cl)cc(C#N)c2)CC1)S(C)(=O)=O ZINC000929972999 683663631 /nfs/dbraw/zinc/66/36/31/683663631.db2.gz UKGPKXKMFNFVOH-UHFFFAOYSA-N 1 2 355.891 2.458 20 30 FEEDLO C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000865878531 684040081 /nfs/dbraw/zinc/04/00/81/684040081.db2.gz QRPXTRSNKBKBNW-ZDUSSCGKSA-N 1 2 354.838 2.302 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2C[C@H]3C[C@@]3(c3ccccc3)C2)nc1 ZINC000931928522 684371687 /nfs/dbraw/zinc/37/16/87/684371687.db2.gz WFVTVQMYFMEXET-MJGOQNOKSA-N 1 2 353.447 2.000 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2C[C@H]3C[C@@]3(c3ccccc3)C2)nc1 ZINC000931928522 684371698 /nfs/dbraw/zinc/37/16/98/684371698.db2.gz WFVTVQMYFMEXET-MJGOQNOKSA-N 1 2 353.447 2.000 20 30 FEEDLO C#C[C@H](NC(=O)/C=C\C[NH+]1CCOCC1)c1ccc(Br)cc1 ZINC000868619253 684518902 /nfs/dbraw/zinc/51/89/02/684518902.db2.gz JCNKKTFCVCZVFM-QGZUEGPWSA-N 1 2 363.255 2.128 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1C[C@H](NC(=O)OC(C)(C)C)C[C@H]1C ZINC000879221802 686773842 /nfs/dbraw/zinc/77/38/42/686773842.db2.gz LLBMZFSLHSFJAQ-LBTNJELSSA-N 1 2 352.479 2.028 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1C[C@H](NC(=O)OC(C)(C)C)C[C@H]1C ZINC000879221802 686773844 /nfs/dbraw/zinc/77/38/44/686773844.db2.gz LLBMZFSLHSFJAQ-LBTNJELSSA-N 1 2 352.479 2.028 20 30 FEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC(C)(C)c1ccc(Br)cc1 ZINC000884092325 687787404 /nfs/dbraw/zinc/78/74/04/687787404.db2.gz AWJKGJASGALFQS-ZDUSSCGKSA-N 1 2 369.259 2.247 20 30 FEEDLO CSc1ccc(CNC(=O)NCC[N@@H+]2CCOCC2(C)C)cc1C#N ZINC000884160601 687804389 /nfs/dbraw/zinc/80/43/89/687804389.db2.gz IQIPFVQKUSCBMY-UHFFFAOYSA-N 1 2 362.499 2.190 20 30 FEEDLO CSc1ccc(CNC(=O)NCC[N@H+]2CCOCC2(C)C)cc1C#N ZINC000884160601 687804395 /nfs/dbraw/zinc/80/43/95/687804395.db2.gz IQIPFVQKUSCBMY-UHFFFAOYSA-N 1 2 362.499 2.190 20 30 FEEDLO C#CC[N@@H+](CCS(=O)(=O)C(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000886426478 688253990 /nfs/dbraw/zinc/25/39/90/688253990.db2.gz YUOTUUFJBUWJNO-UHFFFAOYSA-N 1 2 372.531 2.144 20 30 FEEDLO C#CC[N@H+](CCS(=O)(=O)C(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000886426478 688253996 /nfs/dbraw/zinc/25/39/96/688253996.db2.gz YUOTUUFJBUWJNO-UHFFFAOYSA-N 1 2 372.531 2.144 20 30 FEEDLO C=C(Br)C[NH2+]Cc1cn(C)nc1I ZINC000894241481 689492429 /nfs/dbraw/zinc/49/24/29/689492429.db2.gz JAKMTJSUGDIUBE-UHFFFAOYSA-N 1 2 356.005 2.023 20 30 FEEDLO C#CC[C@H]([NH2+]C1CC2(C1)CCN(C(=O)OC(C)(C)C)CC2)C(=O)OC ZINC000894857494 689610167 /nfs/dbraw/zinc/61/01/67/689610167.db2.gz AXUKZQGZJFUSRZ-HNNXBMFYSA-N 1 2 350.459 2.321 20 30 FEEDLO C#CC[C@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)C(=O)OC ZINC000894988475 689635537 /nfs/dbraw/zinc/63/55/37/689635537.db2.gz ZJXDFEMGTDFXKR-UYTSQGDYSA-N 1 2 350.459 2.319 20 30 FEEDLO FC1(F)[C@H]2C[NH+](Cn3cnnc3)C[C@@H]2C(F)(F)C(F)(F)C1(F)F ZINC000902524594 690774697 /nfs/dbraw/zinc/77/46/97/690774697.db2.gz SKZRZEPONOGUFH-BQBZGAKWSA-N 1 2 350.213 2.338 20 30 FEEDLO N#Cc1cccc(S(=O)(=O)CC[NH2+]Cc2nc3c(s2)CCCC3)c1 ZINC000905568174 691143147 /nfs/dbraw/zinc/14/31/47/691143147.db2.gz SKHSKMSPAVUYKI-UHFFFAOYSA-N 1 2 361.492 2.457 20 30 FEEDLO Cc1ccc(C[NH+]2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 ZINC000015544866 539619509 /nfs/dbraw/zinc/61/95/09/539619509.db2.gz JTIRVEBIDCUOHH-UHFFFAOYSA-N 1 2 355.463 2.373 20 30 FEEDLO Cc1ccc(OC[C@H](O)CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000025226487 539752183 /nfs/dbraw/zinc/75/21/83/539752183.db2.gz OPTGKCZRMLLAQZ-OAQYLSRUSA-N 1 2 365.477 2.424 20 30 FEEDLO N#Cc1ccc(N2CC[C@H]([NH+]3CCN(c4ccc(O)cc4)CC3)C2=O)cc1 ZINC000028708697 539835834 /nfs/dbraw/zinc/83/58/34/539835834.db2.gz WGPVGUIAQMRQTC-FQEVSTJZSA-N 1 2 362.433 2.191 20 30 FEEDLO COC(=O)c1oc(C[NH+]2CCN(c3oc(C4CC4)nc3C#N)CC2)cc1C ZINC000029227823 539847237 /nfs/dbraw/zinc/84/72/37/539847237.db2.gz WTUUBEOWGZZGOZ-UHFFFAOYSA-N 1 2 370.409 2.434 20 30 FEEDLO C=CCOc1ccc(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)cc1 ZINC000031936397 539923491 /nfs/dbraw/zinc/92/34/91/539923491.db2.gz GANYZBSAINGEAN-LJQANCHMSA-N 1 2 362.495 2.189 20 30 FEEDLO C=CCNC(=O)C[NH+]1CCN(Cc2csc(-c3ccc(F)cc3)n2)CC1 ZINC000032490069 539941253 /nfs/dbraw/zinc/94/12/53/539941253.db2.gz UNELVZIEHILHGV-UHFFFAOYSA-N 1 2 374.485 2.369 20 30 FEEDLO COC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000041887055 540038485 /nfs/dbraw/zinc/03/84/85/540038485.db2.gz ZKUNBSVSUIDHOM-IBGZPJMESA-N 1 2 363.417 2.487 20 30 FEEDLO COC(=O)[C@@H]1Cc2ccccc2C[N@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000041887055 540038488 /nfs/dbraw/zinc/03/84/88/540038488.db2.gz ZKUNBSVSUIDHOM-IBGZPJMESA-N 1 2 363.417 2.487 20 30 FEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN(CCOc2ccccc2)CC1 ZINC000042384953 540061645 /nfs/dbraw/zinc/06/16/45/540061645.db2.gz JSLCGWDNIJWSNJ-LJQANCHMSA-N 1 2 357.498 2.272 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCCCOCC3CC3)CC2)cc1 ZINC000045131749 540204791 /nfs/dbraw/zinc/20/47/91/540204791.db2.gz JIFKTSZKOFZXJU-UHFFFAOYSA-N 1 2 356.470 2.202 20 30 FEEDLO N#CCOc1cccc(NC(=O)N2CC[NH+](Cc3cccnc3)CC2)c1 ZINC000048516770 540365931 /nfs/dbraw/zinc/36/59/31/540365931.db2.gz FYBNAMNZWJQNOX-UHFFFAOYSA-N 1 2 351.410 2.334 20 30 FEEDLO COC(=O)C1(C#N)CC[NH+](Cc2cc(Br)ccc2O)CC1 ZINC000824867683 675625939 /nfs/dbraw/zinc/62/59/39/675625939.db2.gz UXZYPRXBUBFRKM-UHFFFAOYSA-N 1 2 353.216 2.433 20 30 FEEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H]1Cc1c(F)cccc1Cl ZINC000052038119 540452700 /nfs/dbraw/zinc/45/27/00/540452700.db2.gz GGKYYLCCNXZWKC-GFCCVEGCSA-N 1 2 353.825 2.498 20 30 FEEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1Cc1c(F)cccc1Cl ZINC000052038119 540452703 /nfs/dbraw/zinc/45/27/03/540452703.db2.gz GGKYYLCCNXZWKC-GFCCVEGCSA-N 1 2 353.825 2.498 20 30 FEEDLO N#Cc1nc(C2CC2)oc1N1CC[NH+](CCOc2cccc(C#N)c2)CC1 ZINC000052638360 540479461 /nfs/dbraw/zinc/47/94/61/540479461.db2.gz AJLUFRIDBUHAQV-UHFFFAOYSA-N 1 2 363.421 2.496 20 30 FEEDLO C[C@@H](C(=O)N(C)C1CCCCC1)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000052442377 540466869 /nfs/dbraw/zinc/46/68/69/540466869.db2.gz QAOWLCKLLGEUEG-INIZCTEOSA-N 1 2 355.486 2.255 20 30 FEEDLO C=CC[NH+]1CCN(C(=O)c2ccccc2I)CC1 ZINC000054366851 540586004 /nfs/dbraw/zinc/58/60/04/540586004.db2.gz WNZDHPQAGUCSDI-UHFFFAOYSA-N 1 2 356.207 2.235 20 30 FEEDLO N#CC1CC[NH+](CC(=O)NCCOc2ccc(C(F)(F)F)cc2)CC1 ZINC000057874185 540821128 /nfs/dbraw/zinc/82/11/28/540821128.db2.gz BPVWQMBPRMIAJD-UHFFFAOYSA-N 1 2 355.360 2.436 20 30 FEEDLO C=CCNC(=O)NC(=O)C[NH+]1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC000060483494 541113583 /nfs/dbraw/zinc/11/35/83/541113583.db2.gz TWCFKCZBSQUHII-UHFFFAOYSA-N 1 2 363.845 2.247 20 30 FEEDLO COc1cc([C@@H](C#N)NC(=O)c2ccc3[nH+]ccn3c2)cc(OC)c1OC ZINC000068325877 541577319 /nfs/dbraw/zinc/57/73/19/541577319.db2.gz OVNKFLHSEHFLBY-CQSZACIVSA-N 1 2 366.377 2.355 20 30 FEEDLO C=CCn1c(=O)c2ccc(C(=O)NC[C@@H](C)[N@H+](C)C3CC3)cc2[nH]c1=S ZINC000069534137 541694712 /nfs/dbraw/zinc/69/47/12/541694712.db2.gz YLYPJGBBMQFCOC-GFCCVEGCSA-N 1 2 372.494 2.084 20 30 FEEDLO C=CCn1c(=O)c2ccc(C(=O)NC[C@@H](C)[N@@H+](C)C3CC3)cc2[nH]c1=S ZINC000069534137 541694715 /nfs/dbraw/zinc/69/47/15/541694715.db2.gz YLYPJGBBMQFCOC-GFCCVEGCSA-N 1 2 372.494 2.084 20 30 FEEDLO N#Cc1cc([N+](=O)[O-])cnc1NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000073771789 541997301 /nfs/dbraw/zinc/99/73/01/541997301.db2.gz RBKAODHHWWXVAF-QGZVFWFLSA-N 1 2 353.382 2.347 20 30 FEEDLO C[N@@H+](CC(=O)Nc1sccc1C#N)C[C@@H](O)COCc1ccccc1 ZINC000074289431 542064457 /nfs/dbraw/zinc/06/44/57/542064457.db2.gz ZYZAKRKCMBUCRY-MRXNPFEDSA-N 1 2 359.451 2.068 20 30 FEEDLO C[N@H+](CC(=O)Nc1sccc1C#N)C[C@@H](O)COCc1ccccc1 ZINC000074289431 542064462 /nfs/dbraw/zinc/06/44/62/542064462.db2.gz ZYZAKRKCMBUCRY-MRXNPFEDSA-N 1 2 359.451 2.068 20 30 FEEDLO CO[C@H]1CCCC[C@@H]1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000075098548 542152079 /nfs/dbraw/zinc/15/20/79/542152079.db2.gz YAESIGIJXQKZAH-OALUTQOASA-N 1 2 356.470 2.343 20 30 FEEDLO CN(CC(=O)N[C@@](C)(C#N)C1CC1)Cc1[nH+]ccn1Cc1ccccc1 ZINC000075914989 542215671 /nfs/dbraw/zinc/21/56/71/542215671.db2.gz GDNSVOVVIGOAPX-FQEVSTJZSA-N 1 2 351.454 2.172 20 30 FEEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCCN(c2nc(CC)ns2)CC1 ZINC000076184953 542241442 /nfs/dbraw/zinc/24/14/42/542241442.db2.gz UEGNCZIPLGJWPH-UHFFFAOYSA-N 1 2 351.520 2.037 20 30 FEEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCCN(c2nc(CC)ns2)CC1 ZINC000076184953 542241445 /nfs/dbraw/zinc/24/14/45/542241445.db2.gz UEGNCZIPLGJWPH-UHFFFAOYSA-N 1 2 351.520 2.037 20 30 FEEDLO CS(=O)(=O)N(Cc1[nH+]ccn1CC(F)(F)F)c1ccc(C#N)cc1 ZINC000076696122 542313947 /nfs/dbraw/zinc/31/39/47/542313947.db2.gz TYWFQSLMOIURCP-UHFFFAOYSA-N 1 2 358.345 2.283 20 30 FEEDLO CCC[N@H+](CC(=O)NCC#N)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000076667946 542309427 /nfs/dbraw/zinc/30/94/27/542309427.db2.gz IMTQDGQYVMDGCT-UHFFFAOYSA-N 1 2 357.241 2.284 20 30 FEEDLO CCC[N@@H+](CC(=O)NCC#N)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000076667946 542309429 /nfs/dbraw/zinc/30/94/29/542309429.db2.gz IMTQDGQYVMDGCT-UHFFFAOYSA-N 1 2 357.241 2.284 20 30 FEEDLO C[C@@H]1CN(c2ccc(CNc3ncc([N+](=O)[O-])cc3C#N)c[nH+]2)CCO1 ZINC000076794201 542321924 /nfs/dbraw/zinc/32/19/24/542321924.db2.gz RPRJBUCRYIIPNY-GFCCVEGCSA-N 1 2 354.370 2.094 20 30 FEEDLO C=CCOc1cccc(NC(=O)N2CC[NH+]([C@@H](C)C(=O)NC3CC3)CC2)c1 ZINC000077202597 542354551 /nfs/dbraw/zinc/35/45/51/542354551.db2.gz JKHMYDCTJGSHPL-HNNXBMFYSA-N 1 2 372.469 2.068 20 30 FEEDLO C#CC[NH+]1CCN(c2nnc(-c3ccccc3Br)n2CC)CC1 ZINC000801951409 674156343 /nfs/dbraw/zinc/15/63/43/674156343.db2.gz SQZYBVDJAIISOE-UHFFFAOYSA-N 1 2 374.286 2.483 20 30 FEEDLO N#CCSc1cccc(C(=O)NCc2ccc[nH+]c2N2CCOCC2)c1 ZINC000079397299 542515900 /nfs/dbraw/zinc/51/59/00/542515900.db2.gz LJQWRSMSFMSXGW-UHFFFAOYSA-N 1 2 368.462 2.464 20 30 FEEDLO N#Cc1ccc(Cl)c(NC(=O)C(=O)N2CCC(n3cc[nH+]c3)CC2)c1 ZINC000088783604 542757197 /nfs/dbraw/zinc/75/71/97/542757197.db2.gz BSWMFNZWEBDYKJ-UHFFFAOYSA-N 1 2 357.801 2.210 20 30 FEEDLO C=CCCOCCNC(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000089953064 542776671 /nfs/dbraw/zinc/77/66/71/542776671.db2.gz XIZRAVUIHDPPHK-UHFFFAOYSA-N 1 2 356.426 2.098 20 30 FEEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCCC3(C2)OCCO3)c1C ZINC000090562870 542786690 /nfs/dbraw/zinc/78/66/90/542786690.db2.gz QIIAWEAKYQJTMO-UHFFFAOYSA-N 1 2 357.454 2.389 20 30 FEEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCCC3(C2)OCCO3)c1C ZINC000090562870 542786694 /nfs/dbraw/zinc/78/66/94/542786694.db2.gz QIIAWEAKYQJTMO-UHFFFAOYSA-N 1 2 357.454 2.389 20 30 FEEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCc3c(Cl)cccc3C2)CC1 ZINC000091580736 542813361 /nfs/dbraw/zinc/81/33/61/542813361.db2.gz XRTNYBWISXTZFH-IBGZPJMESA-N 1 2 374.916 2.390 20 30 FEEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCc3c(Cl)cccc3C2)CC1 ZINC000091580736 542813363 /nfs/dbraw/zinc/81/33/63/542813363.db2.gz XRTNYBWISXTZFH-IBGZPJMESA-N 1 2 374.916 2.390 20 30 FEEDLO COC(=O)[C@H]1C[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C[C@@H](C)O1 ZINC000092013072 542838122 /nfs/dbraw/zinc/83/81/22/542838122.db2.gz LUJCUHBWKHGYQO-CRAIPNDOSA-N 1 2 368.437 2.226 20 30 FEEDLO COC(=O)[C@H]1C[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C[C@@H](C)O1 ZINC000092013072 542838124 /nfs/dbraw/zinc/83/81/24/542838124.db2.gz LUJCUHBWKHGYQO-CRAIPNDOSA-N 1 2 368.437 2.226 20 30 FEEDLO CCOc1cccc(N2CC[NH+](Cc3cnc4ccc(C#N)cn34)CC2)n1 ZINC000092033991 542839506 /nfs/dbraw/zinc/83/95/06/542839506.db2.gz VKJFGARRZGVHEK-UHFFFAOYSA-N 1 2 362.437 2.322 20 30 FEEDLO C=CCc1cc(C[NH+]2CCN(Cc3noc(C)n3)CC2)cc(OC)c1O ZINC000093274030 542923037 /nfs/dbraw/zinc/92/30/37/542923037.db2.gz WAEGELMUJILZQU-UHFFFAOYSA-N 1 2 358.442 2.139 20 30 FEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN(C(=O)Cc2ccc(C)cc2)CC1 ZINC000101562622 543032432 /nfs/dbraw/zinc/03/24/32/543032432.db2.gz ZOXVQGMHROEXBG-LJQANCHMSA-N 1 2 369.509 2.271 20 30 FEEDLO N#Cc1ccccc1N1CC[NH+](CC(=O)NCCCc2ccccc2)CC1 ZINC000101555011 543032495 /nfs/dbraw/zinc/03/24/95/543032495.db2.gz VNLOBQPMZWRNKD-UHFFFAOYSA-N 1 2 362.477 2.429 20 30 FEEDLO CC[C@@H](C)[N@H+](CC(=O)NCC#N)CC(=O)Nc1ccccc1C(F)(F)F ZINC000108917171 543308624 /nfs/dbraw/zinc/30/86/24/543308624.db2.gz SVBTVHVHJAOFJL-GFCCVEGCSA-N 1 2 370.375 2.384 20 30 FEEDLO CC[C@@H](C)[N@@H+](CC(=O)NCC#N)CC(=O)Nc1ccccc1C(F)(F)F ZINC000108917171 543308627 /nfs/dbraw/zinc/30/86/27/543308627.db2.gz SVBTVHVHJAOFJL-GFCCVEGCSA-N 1 2 370.375 2.384 20 30 FEEDLO C[N@H+](CC(=O)NC1(C#N)CCCCC1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000111251155 543389163 /nfs/dbraw/zinc/38/91/63/543389163.db2.gz NGAIWQKEYBJNGE-QGZVFWFLSA-N 1 2 354.454 2.066 20 30 FEEDLO C[N@@H+](CC(=O)NC1(C#N)CCCCC1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000111251155 543389165 /nfs/dbraw/zinc/38/91/65/543389165.db2.gz NGAIWQKEYBJNGE-QGZVFWFLSA-N 1 2 354.454 2.066 20 30 FEEDLO N#C[C@@H]1CN(C(=O)NCc2cn3ccccc3[nH+]2)CCN1Cc1ccccc1 ZINC000114583642 543524407 /nfs/dbraw/zinc/52/44/07/543524407.db2.gz VBXRNBMZRBPDMA-LJQANCHMSA-N 1 2 374.448 2.254 20 30 FEEDLO C=CCc1cc(C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)cc(OC)c1OC ZINC000115164445 543554016 /nfs/dbraw/zinc/55/40/16/543554016.db2.gz PXJFMYBOLCBXBI-KRWDZBQOSA-N 1 2 360.454 2.025 20 30 FEEDLO C=CCc1cc(C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)cc(OC)c1OC ZINC000115164445 543554019 /nfs/dbraw/zinc/55/40/19/543554019.db2.gz PXJFMYBOLCBXBI-KRWDZBQOSA-N 1 2 360.454 2.025 20 30 FEEDLO C[C@@H]([NH2+][C@@H](C)C(=O)NC1(C#N)CCCCC1)c1nnnn1-c1ccccc1 ZINC000115604229 543577421 /nfs/dbraw/zinc/57/74/21/543577421.db2.gz WOHXACPFKBFQHS-CABCVRRESA-N 1 2 367.457 2.044 20 30 FEEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000119619191 543670046 /nfs/dbraw/zinc/67/00/46/543670046.db2.gz ZAUSBHDMYXBIDQ-ICSRJNTNSA-N 1 2 352.482 2.458 20 30 FEEDLO N#Cc1ccc(F)c(CS(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000120308748 543677921 /nfs/dbraw/zinc/67/79/21/543677921.db2.gz KNRFBYBYZNMDCG-UHFFFAOYSA-N 1 2 373.453 2.345 20 30 FEEDLO C[C@H](c1ccccc1)[N@H+](CC(N)=O)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000123886437 543789242 /nfs/dbraw/zinc/78/92/42/543789242.db2.gz BRDLAGGHTATQCN-MRXNPFEDSA-N 1 2 356.470 2.220 20 30 FEEDLO C[C@H](c1ccccc1)[N@@H+](CC(N)=O)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000123886437 543789245 /nfs/dbraw/zinc/78/92/45/543789245.db2.gz BRDLAGGHTATQCN-MRXNPFEDSA-N 1 2 356.470 2.220 20 30 FEEDLO C[C@H](CNS(=O)(=O)c1c(F)cc(C#N)cc1F)[NH+]1CCC(C)CC1 ZINC000124622330 543833431 /nfs/dbraw/zinc/83/34/31/543833431.db2.gz HQESTLDKOPAYFI-GFCCVEGCSA-N 1 2 357.426 2.235 20 30 FEEDLO C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(c2ncc(C(F)(F)F)[nH]2)CC1 ZINC000125656389 543894394 /nfs/dbraw/zinc/89/43/94/543894394.db2.gz QIWBYNZAQVLYFB-JTQLQIEISA-N 1 2 373.379 2.008 20 30 FEEDLO N#Cc1cccc(COc2cccc(C[NH+]3CCN(CCO)CC3)c2)c1 ZINC000125759129 543900063 /nfs/dbraw/zinc/90/00/63/543900063.db2.gz JDZUIEGCNFKHPV-UHFFFAOYSA-N 1 2 351.450 2.247 20 30 FEEDLO C=C[C@@H](CC(=O)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1)c1ccccc1 ZINC000126850339 543959885 /nfs/dbraw/zinc/95/98/85/543959885.db2.gz ZMLCDLNFILPPBP-SJORKVTESA-N 1 2 355.482 2.158 20 30 FEEDLO COc1ccc(OCC[N@H+](C)CCS(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000128192950 544038140 /nfs/dbraw/zinc/03/81/40/544038140.db2.gz HLLSKANCQKMDCI-UHFFFAOYSA-N 1 2 374.462 2.351 20 30 FEEDLO COc1ccc(OCC[N@@H+](C)CCS(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000128192950 544038143 /nfs/dbraw/zinc/03/81/43/544038143.db2.gz HLLSKANCQKMDCI-UHFFFAOYSA-N 1 2 374.462 2.351 20 30 FEEDLO N#CCOc1ccc(CC(=O)N[C@H]2CCCN(c3cccc[nH+]3)C2)cc1 ZINC000130699470 544161283 /nfs/dbraw/zinc/16/12/83/544161283.db2.gz JWWROWRZYCPMKV-KRWDZBQOSA-N 1 2 350.422 2.312 20 30 FEEDLO COCC[N@H+](Cc1ccccc1C(C)(C)C#N)[C@H]1CCS(=O)(=O)C1 ZINC000135123728 544335180 /nfs/dbraw/zinc/33/51/80/544335180.db2.gz QDCXLGMNLRKPDU-INIZCTEOSA-N 1 2 350.484 2.123 20 30 FEEDLO COCC[N@@H+](Cc1ccccc1C(C)(C)C#N)[C@H]1CCS(=O)(=O)C1 ZINC000135123728 544335182 /nfs/dbraw/zinc/33/51/82/544335182.db2.gz QDCXLGMNLRKPDU-INIZCTEOSA-N 1 2 350.484 2.123 20 30 FEEDLO N#Cc1ccc(NC(=O)C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)c(F)c1 ZINC000135766930 544360496 /nfs/dbraw/zinc/36/04/96/544360496.db2.gz PSBHPENWOQNGRM-UHFFFAOYSA-N 1 2 371.759 2.253 20 30 FEEDLO C[C@H]1CC[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C[C@@H]1n1ccnc1 ZINC000136086332 544366423 /nfs/dbraw/zinc/36/64/23/544366423.db2.gz TVEXAVMTZNPLDC-YJBOKZPZSA-N 1 2 358.467 2.112 20 30 FEEDLO C[C@H]1CC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C[C@@H]1n1ccnc1 ZINC000136086332 544366424 /nfs/dbraw/zinc/36/64/24/544366424.db2.gz TVEXAVMTZNPLDC-YJBOKZPZSA-N 1 2 358.467 2.112 20 30 FEEDLO N#Cc1cccc(NCC(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)c1 ZINC000151906559 544594518 /nfs/dbraw/zinc/59/45/18/544594518.db2.gz CSNQEGGMMCGWOT-FQEVSTJZSA-N 1 2 364.449 2.160 20 30 FEEDLO N#CCCN(CC(=O)N1CC[NH+](Cc2cccs2)CC1)Cc1ccco1 ZINC000153084146 544730761 /nfs/dbraw/zinc/73/07/61/544730761.db2.gz WKSRHCJBTYBRSI-UHFFFAOYSA-N 1 2 372.494 2.401 20 30 FEEDLO COc1ccc(CN(CCC#N)CC[NH+]2CCOCC2)c(Cl)c1OC ZINC000154753166 544944530 /nfs/dbraw/zinc/94/45/30/544944530.db2.gz DCCLBWKEWXBYBW-UHFFFAOYSA-N 1 2 367.877 2.405 20 30 FEEDLO COc1ccc(CN(CCC#N)CC[NH+]2CCOCC2)cc1OC(F)F ZINC000154748342 544944706 /nfs/dbraw/zinc/94/47/06/544944706.db2.gz UAAAVIXMRCFUOJ-UHFFFAOYSA-N 1 2 369.412 2.344 20 30 FEEDLO N#Cc1ccc(CN2CC[NH+](CC(=O)N3CCCCCC3)CC2)cc1F ZINC000191897578 328287442 /nfs/dbraw/zinc/28/74/42/328287442.db2.gz VCUHTBLOYHTUDJ-UHFFFAOYSA-N 1 2 358.461 2.218 20 30 FEEDLO COC(=O)C[N@H+](C1CCCC1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192623268 328328996 /nfs/dbraw/zinc/32/89/96/328328996.db2.gz UVVOMJNMMITCQC-GOSISDBHSA-N 1 2 355.438 2.471 20 30 FEEDLO COC(=O)C[N@@H+](C1CCCC1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192623268 328328998 /nfs/dbraw/zinc/32/89/98/328328998.db2.gz UVVOMJNMMITCQC-GOSISDBHSA-N 1 2 355.438 2.471 20 30 FEEDLO N#Cc1ccc(NC(=O)C[NH+]2CCC(NC(=O)c3ccccc3)CC2)cc1 ZINC000011096151 324369542 /nfs/dbraw/zinc/36/95/42/324369542.db2.gz FOJSLLAONHXKHO-UHFFFAOYSA-N 1 2 362.433 2.391 20 30 FEEDLO N#Cc1ccccc1OCC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000018214039 324390834 /nfs/dbraw/zinc/39/08/34/324390834.db2.gz BAKRGEPNPJGRSQ-UHFFFAOYSA-N 1 2 365.433 2.086 20 30 FEEDLO Cn1ncc2c1nc[nH+]c2S[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000021755024 324396119 /nfs/dbraw/zinc/39/61/19/324396119.db2.gz YFHSEOUBYBFAOE-AWEZNQCLSA-N 1 2 350.407 2.133 20 30 FEEDLO N#Cc1ccc(N2CC[NH+](Cc3nc4cc([N+](=O)[O-])ccc4o3)CC2)nc1 ZINC000083169141 325214484 /nfs/dbraw/zinc/21/44/84/325214484.db2.gz SRAMHSSIAITODX-UHFFFAOYSA-N 1 2 364.365 2.325 20 30 FEEDLO N#Cc1ccc([C@@H]([NH2+][C@@H]2CCN(c3ccccc3Cl)C2=O)C(N)=O)cc1 ZINC000115599961 325969320 /nfs/dbraw/zinc/96/93/20/325969320.db2.gz KAEXQAPSWVQQHS-NVXWUHKLSA-N 1 2 368.824 2.133 20 30 FEEDLO COC(=O)[C@@H](c1ccccc1)[N@@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000117874475 326073230 /nfs/dbraw/zinc/07/32/30/326073230.db2.gz WKIMPEOZEOFZSU-GOSISDBHSA-N 1 2 350.422 2.380 20 30 FEEDLO COC(=O)[C@@H](c1ccccc1)[N@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000117874475 326073233 /nfs/dbraw/zinc/07/32/33/326073233.db2.gz WKIMPEOZEOFZSU-GOSISDBHSA-N 1 2 350.422 2.380 20 30 FEEDLO N#Cc1cccc(NC(=O)C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)c1 ZINC000120113261 326231275 /nfs/dbraw/zinc/23/12/75/326231275.db2.gz IVVXQWLJKBQESL-UHFFFAOYSA-N 1 2 363.421 2.198 20 30 FEEDLO N#Cc1cc(F)c(S(=O)(=O)N2CC[NH+](C3CCCC3)CC2)c(F)c1 ZINC000124182781 326449088 /nfs/dbraw/zinc/44/90/88/326449088.db2.gz GUANHNOWCWLRMA-UHFFFAOYSA-N 1 2 355.410 2.085 20 30 FEEDLO C[NH+](C)CCS(=O)(=O)c1ccccc1C(=O)Nc1cccc(C#N)c1 ZINC000155956170 326811946 /nfs/dbraw/zinc/81/19/46/326811946.db2.gz JVYMOQCMCKLGQE-UHFFFAOYSA-N 1 2 357.435 2.146 20 30 FEEDLO COc1cccc(OCC[NH+]2CCN(C(=O)c3sccc3C#N)CC2)c1 ZINC000156072398 326816473 /nfs/dbraw/zinc/81/64/73/326816473.db2.gz UEHKGEORGINQKU-UHFFFAOYSA-N 1 2 371.462 2.465 20 30 FEEDLO N#Cc1cccc(OC2CCN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)CC2)c1 ZINC000161425838 326999038 /nfs/dbraw/zinc/99/90/38/326999038.db2.gz ZHEIREVIRTXOMT-MRXNPFEDSA-N 1 2 350.422 2.387 20 30 FEEDLO CC(C)(C)OC(=O)NC[C@H]1CC[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000170648386 327090595 /nfs/dbraw/zinc/09/05/95/327090595.db2.gz LCLJJLGCALJMJQ-GFCCVEGCSA-N 1 2 364.471 2.405 20 30 FEEDLO CC(C)(C)OC(=O)NC[C@H]1CC[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000170648386 327090596 /nfs/dbraw/zinc/09/05/96/327090596.db2.gz LCLJJLGCALJMJQ-GFCCVEGCSA-N 1 2 364.471 2.405 20 30 FEEDLO C[C@@H](CNC(=O)OC(C)(C)C)[N@H+](C)CC(=O)Nc1sccc1C#N ZINC000171957271 327172751 /nfs/dbraw/zinc/17/27/51/327172751.db2.gz DEJAVBKHKUSXQU-NSHDSACASA-N 1 2 352.460 2.403 20 30 FEEDLO C[C@@H](CNC(=O)OC(C)(C)C)[N@@H+](C)CC(=O)Nc1sccc1C#N ZINC000171957271 327172752 /nfs/dbraw/zinc/17/27/52/327172752.db2.gz DEJAVBKHKUSXQU-NSHDSACASA-N 1 2 352.460 2.403 20 30 FEEDLO CN(CC[NH+]1CCOCC1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000174099308 327305981 /nfs/dbraw/zinc/30/59/81/327305981.db2.gz WLBRVFJWHMPVBN-UHFFFAOYSA-N 1 2 356.348 2.373 20 30 FEEDLO N#Cc1ccc(CSCC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)cc1 ZINC000174475039 327329066 /nfs/dbraw/zinc/32/90/66/327329066.db2.gz CFVIKHMQQHCKJV-GOSISDBHSA-N 1 2 359.495 2.115 20 30 FEEDLO Cc1ccc(NC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)c(C)[nH+]1 ZINC000176502105 327459621 /nfs/dbraw/zinc/45/96/21/327459621.db2.gz RVRIYLHBSOPNCV-ZDUSSCGKSA-N 1 2 351.414 2.103 20 30 FEEDLO CCO[C@H]1C[C@H](O)C12CC[NH+]([C@H](C(=O)OC)c1cccc(C#N)c1)CC2 ZINC000177126020 327499420 /nfs/dbraw/zinc/49/94/20/327499420.db2.gz SUHNPCRLEVFRBD-BZSNNMDCSA-N 1 2 358.438 2.024 20 30 FEEDLO CC(C)(CNC(=O)CCCCOc1cccc(C#N)c1)[NH+]1CCOCC1 ZINC000264611649 329040606 /nfs/dbraw/zinc/04/06/06/329040606.db2.gz CWNBZJJTJVHQBI-UHFFFAOYSA-N 1 2 359.470 2.334 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Cc3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000266038472 329184223 /nfs/dbraw/zinc/18/42/23/329184223.db2.gz OPPILOQAMXRQPA-UHFFFAOYSA-N 1 2 364.405 2.353 20 30 FEEDLO C[C@H](Cn1cc[nH+]c1)NS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000269698911 329541361 /nfs/dbraw/zinc/54/13/61/329541361.db2.gz ZXQGWBKFNHGSAJ-SNVBAGLBSA-N 1 2 358.345 2.141 20 30 FEEDLO CC1(C)C[NH+]=C(N2CCN(C(=O)NCc3ccc(C#N)cc3)CC2)S1 ZINC000269978114 329565298 /nfs/dbraw/zinc/56/52/98/329565298.db2.gz ZPDLOYJYJJGDBT-UHFFFAOYSA-N 1 2 357.483 2.267 20 30 FEEDLO CN(Cc1[nH+]ccn1C)C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000271855639 329731063 /nfs/dbraw/zinc/73/10/63/329731063.db2.gz YHCAVVSGPDIVDW-UHFFFAOYSA-N 1 2 368.441 2.218 20 30 FEEDLO COc1ccc(C#N)cc1NC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000274592813 329963331 /nfs/dbraw/zinc/96/33/31/329963331.db2.gz KKWZEPHPYXVHFB-UHFFFAOYSA-N 1 2 351.410 2.312 20 30 FEEDLO C=C[C@@H](CC(=O)N1CC[C@@H]([N@H+](C)Cc2nccc(N)n2)C1)c1ccccc1 ZINC000276647963 519294300 /nfs/dbraw/zinc/29/43/00/519294300.db2.gz YANBNHMVBNKZOK-FUHWJXTLSA-N 1 2 365.481 2.451 20 30 FEEDLO C=C[C@@H](CC(=O)N1CC[C@@H]([N@@H+](C)Cc2nccc(N)n2)C1)c1ccccc1 ZINC000276647963 519294308 /nfs/dbraw/zinc/29/43/08/519294308.db2.gz YANBNHMVBNKZOK-FUHWJXTLSA-N 1 2 365.481 2.451 20 30 FEEDLO Cc1cccc2[nH+]c(CNC(=O)C(=O)Nc3cc(C#N)ccc3Cl)cn21 ZINC000155358481 545517071 /nfs/dbraw/zinc/51/70/71/545517071.db2.gz YEQXOHPSPXXCHP-UHFFFAOYSA-N 1 2 367.796 2.423 20 30 FEEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+](C)CCNC(=O)C(C)C)c1C ZINC000157510071 545750357 /nfs/dbraw/zinc/75/03/57/545750357.db2.gz GVQQXRNHKUJZBO-UHFFFAOYSA-N 1 2 358.486 2.254 20 30 FEEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+](C)CCNC(=O)C(C)C)c1C ZINC000157510071 545750361 /nfs/dbraw/zinc/75/03/61/545750361.db2.gz GVQQXRNHKUJZBO-UHFFFAOYSA-N 1 2 358.486 2.254 20 30 FEEDLO CCOC(=O)C1([N@H+](C)CC(=O)NCc2ccc(C#N)cc2)CCCCC1 ZINC000478039677 561158734 /nfs/dbraw/zinc/15/87/34/561158734.db2.gz IQGOOVHWYCQTRN-UHFFFAOYSA-N 1 2 357.454 2.372 20 30 FEEDLO CCOC(=O)C1([N@@H+](C)CC(=O)NCc2ccc(C#N)cc2)CCCCC1 ZINC000478039677 561158735 /nfs/dbraw/zinc/15/87/35/561158735.db2.gz IQGOOVHWYCQTRN-UHFFFAOYSA-N 1 2 357.454 2.372 20 30 FEEDLO COc1cc2c(cc1C[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)O[C@@H](C)C2 ZINC000158883045 545902977 /nfs/dbraw/zinc/90/29/77/545902977.db2.gz NRJWYERWDROVBS-HXPMCKFVSA-N 1 2 351.406 2.206 20 30 FEEDLO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCO[C@](C)(c2cnn(C)c2)C1 ZINC000159417815 545951940 /nfs/dbraw/zinc/95/19/40/545951940.db2.gz WQQFMVSPNNJXDL-FPOVZHCZSA-N 1 2 371.481 2.136 20 30 FEEDLO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCO[C@](C)(c2cnn(C)c2)C1 ZINC000159417815 545951942 /nfs/dbraw/zinc/95/19/42/545951942.db2.gz WQQFMVSPNNJXDL-FPOVZHCZSA-N 1 2 371.481 2.136 20 30 FEEDLO C=CCCCCCN(C)C(=O)C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000478907504 561177814 /nfs/dbraw/zinc/17/78/14/561177814.db2.gz QQZWWPBIBNXYLG-UHFFFAOYSA-N 1 2 363.527 2.427 20 30 FEEDLO C=CCCCCCN(C)C(=O)C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000478907504 561177815 /nfs/dbraw/zinc/17/78/15/561177815.db2.gz QQZWWPBIBNXYLG-UHFFFAOYSA-N 1 2 363.527 2.427 20 30 FEEDLO C=CCn1c(=O)[nH]nc1SCc1cn2cc(Br)ccc2[nH+]1 ZINC000163426759 546144649 /nfs/dbraw/zinc/14/46/49/546144649.db2.gz YMTKSXYCMZDETK-UHFFFAOYSA-N 1 2 366.244 2.460 20 30 FEEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(NC(=O)c2ccoc2)CC1 ZINC000166399231 546156129 /nfs/dbraw/zinc/15/61/29/546156129.db2.gz VIPBBDTYUDHTCH-AWEZNQCLSA-N 1 2 366.421 2.373 20 30 FEEDLO C[C@@H](ON=C(N)c1cccc(C[NH+]2CCOCC2)c1)c1nc(C2CC2)no1 ZINC000174131818 546291496 /nfs/dbraw/zinc/29/14/96/546291496.db2.gz LIVIJUVPQOHDPU-CYBMUJFWSA-N 1 2 371.441 2.177 20 30 FEEDLO C#CCCCNC(=O)N[C@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1 ZINC000174098824 546291780 /nfs/dbraw/zinc/29/17/80/546291780.db2.gz MCGZRFVLZWZBQV-KRWDZBQOSA-N 1 2 356.426 2.239 20 30 FEEDLO C[C@@](C#N)(NC(=O)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)C1CC1 ZINC000174242531 546294022 /nfs/dbraw/zinc/29/40/22/546294022.db2.gz CPZDRZKMOISVIL-IBGZPJMESA-N 1 2 372.425 2.246 20 30 FEEDLO CN1CCCc2cc(NC(=O)N(CCC#N)CC[NH+]3CCOCC3)ccc21 ZINC000176928364 546510885 /nfs/dbraw/zinc/51/08/85/546510885.db2.gz FDRITZICQKYDSX-UHFFFAOYSA-N 1 2 371.485 2.149 20 30 FEEDLO C=CC[N@@H+](Cc1ccc(OC)c(COCC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000179525468 546970984 /nfs/dbraw/zinc/97/09/84/546970984.db2.gz OTOOQQDUFWWDSB-QGZVFWFLSA-N 1 2 353.484 2.407 20 30 FEEDLO C=CC[N@H+](Cc1ccc(OC)c(COCC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000179525468 546970987 /nfs/dbraw/zinc/97/09/87/546970987.db2.gz OTOOQQDUFWWDSB-QGZVFWFLSA-N 1 2 353.484 2.407 20 30 FEEDLO C=C(C)Cn1c(SCC(=O)NCc2c[nH+]c[nH]2)nnc1-c1ccco1 ZINC000482089426 561248436 /nfs/dbraw/zinc/24/84/36/561248436.db2.gz NPDYNIWTDYMRGR-UHFFFAOYSA-N 1 2 358.427 2.246 20 30 FEEDLO C=C(C)Cn1c(SCC(=O)NCc2c[nH]c[nH+]2)nnc1-c1ccco1 ZINC000482089426 561248437 /nfs/dbraw/zinc/24/84/37/561248437.db2.gz NPDYNIWTDYMRGR-UHFFFAOYSA-N 1 2 358.427 2.246 20 30 FEEDLO N#Cc1cc(C(=O)N2CC[NH+](CCOc3ccccc3Cl)CC2)c[nH]1 ZINC000181179940 547264413 /nfs/dbraw/zinc/26/44/13/547264413.db2.gz QPQBJOSVACBLDW-UHFFFAOYSA-N 1 2 358.829 2.377 20 30 FEEDLO CC(=O)N1CC[N@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)C(C)(C)C1 ZINC000182195992 547451334 /nfs/dbraw/zinc/45/13/34/547451334.db2.gz IVEOOOAPYJGIQQ-UHFFFAOYSA-N 1 2 370.497 2.493 20 30 FEEDLO CC(=O)N1CC[N@@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)C(C)(C)C1 ZINC000182195992 547451338 /nfs/dbraw/zinc/45/13/38/547451338.db2.gz IVEOOOAPYJGIQQ-UHFFFAOYSA-N 1 2 370.497 2.493 20 30 FEEDLO C[N@H+](CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)Cc1ccco1 ZINC000182663125 547529017 /nfs/dbraw/zinc/52/90/17/547529017.db2.gz QJTPKTSLYHKOIF-LJQANCHMSA-N 1 2 370.428 2.260 20 30 FEEDLO C[N@@H+](CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)Cc1ccco1 ZINC000182663125 547529021 /nfs/dbraw/zinc/52/90/21/547529021.db2.gz QJTPKTSLYHKOIF-LJQANCHMSA-N 1 2 370.428 2.260 20 30 FEEDLO C=CCC[C@@H](O)C[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1cnn(C)c1 ZINC000184029021 547757764 /nfs/dbraw/zinc/75/77/64/547757764.db2.gz VYUUHQIWONOQRS-IAGOWNOFSA-N 1 2 364.490 2.341 20 30 FEEDLO C=CCC[C@@H](O)C[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1cnn(C)c1 ZINC000184029021 547757769 /nfs/dbraw/zinc/75/77/69/547757769.db2.gz VYUUHQIWONOQRS-IAGOWNOFSA-N 1 2 364.490 2.341 20 30 FEEDLO CSCC[C@H]([NH2+]CC(=O)N[C@](C)(C#N)C(C)C)c1nnc2ccccn21 ZINC000184599103 547852739 /nfs/dbraw/zinc/85/27/39/547852739.db2.gz QUBSRAFRVGTKNR-KBXCAEBGSA-N 1 2 374.514 2.168 20 30 FEEDLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C#Cc3ccccc3)c2)CC1 ZINC000187163562 548252499 /nfs/dbraw/zinc/25/24/99/548252499.db2.gz YDFNGUGITORHKU-UHFFFAOYSA-N 1 2 361.445 2.341 20 30 FEEDLO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000188007078 548269475 /nfs/dbraw/zinc/26/94/75/548269475.db2.gz SUZDYNTVSQYGOS-MRXNPFEDSA-N 1 2 373.497 2.002 20 30 FEEDLO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000188007078 548269482 /nfs/dbraw/zinc/26/94/82/548269482.db2.gz SUZDYNTVSQYGOS-MRXNPFEDSA-N 1 2 373.497 2.002 20 30 FEEDLO C#CCOc1ccccc1NC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000188101424 548272033 /nfs/dbraw/zinc/27/20/33/548272033.db2.gz PILNRDRGALJXKE-UHFFFAOYSA-N 1 2 350.422 2.443 20 30 FEEDLO FC(F)C(F)(F)COCC[NH+]1CCN(CC(F)(F)C(F)F)CC1 ZINC000189317154 548300836 /nfs/dbraw/zinc/30/08/36/548300836.db2.gz AKPAZPPVAGCVCE-UHFFFAOYSA-N 1 2 358.273 2.421 20 30 FEEDLO C=CCNC(=O)c1ccc(NC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)cc1 ZINC000192808968 548374059 /nfs/dbraw/zinc/37/40/59/548374059.db2.gz TVSUNNZFXCTHNB-GOSISDBHSA-N 1 2 357.454 2.184 20 30 FEEDLO C=CCNC(=O)c1ccc(NC(=O)[C@H]2COCC[N@H+]2C2CCCC2)cc1 ZINC000192808968 548374061 /nfs/dbraw/zinc/37/40/61/548374061.db2.gz TVSUNNZFXCTHNB-GOSISDBHSA-N 1 2 357.454 2.184 20 30 FEEDLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](C#N)C1CCCCC1 ZINC000486587350 561351656 /nfs/dbraw/zinc/35/16/56/561351656.db2.gz NYPHBSMYDYOICE-DLBZAZTESA-N 1 2 359.474 2.072 20 30 FEEDLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](C#N)C1CCCCC1 ZINC000486587350 561351657 /nfs/dbraw/zinc/35/16/57/561351657.db2.gz NYPHBSMYDYOICE-DLBZAZTESA-N 1 2 359.474 2.072 20 30 FEEDLO Cc1cc(C[NH+]2CCN(CC(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)ccc1C#N ZINC000486791642 561356833 /nfs/dbraw/zinc/35/68/33/561356833.db2.gz OBBZFFCKELGDQJ-QZTJIDSGSA-N 1 2 368.525 2.489 20 30 FEEDLO Cc1cc(CN2CC[NH+](CC(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)ccc1C#N ZINC000486791642 561356834 /nfs/dbraw/zinc/35/68/34/561356834.db2.gz OBBZFFCKELGDQJ-QZTJIDSGSA-N 1 2 368.525 2.489 20 30 FEEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000246824099 549221596 /nfs/dbraw/zinc/22/15/96/549221596.db2.gz AFHLDQMKXNEWOL-HOCLYGCPSA-N 1 2 374.510 2.429 20 30 FEEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000246824099 549221599 /nfs/dbraw/zinc/22/15/99/549221599.db2.gz AFHLDQMKXNEWOL-HOCLYGCPSA-N 1 2 374.510 2.429 20 30 FEEDLO C[N@@H+]1CCN(S(=O)(=O)c2ccc(C#N)c(F)c2)[C@H](c2ccccc2)C1 ZINC000489034458 561402027 /nfs/dbraw/zinc/40/20/27/561402027.db2.gz BMXIQENWPBAEPG-SFHVURJKSA-N 1 2 359.426 2.375 20 30 FEEDLO C[N@H+]1CCN(S(=O)(=O)c2ccc(C#N)c(F)c2)[C@H](c2ccccc2)C1 ZINC000489034458 561402028 /nfs/dbraw/zinc/40/20/28/561402028.db2.gz BMXIQENWPBAEPG-SFHVURJKSA-N 1 2 359.426 2.375 20 30 FEEDLO C[N@@H+]1CC[C@H](NC(=O)N2CCO[C@H](C#N)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000247209292 549299419 /nfs/dbraw/zinc/29/94/19/549299419.db2.gz YUFPTJZYIZZVRH-UHOFOFEASA-N 1 2 366.824 2.158 20 30 FEEDLO C[N@H+]1CC[C@H](NC(=O)N2CCO[C@H](C#N)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000247209292 549299422 /nfs/dbraw/zinc/29/94/22/549299422.db2.gz YUFPTJZYIZZVRH-UHOFOFEASA-N 1 2 366.824 2.158 20 30 FEEDLO CC(C)CN(CC(C)C)C(=O)C[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000248242128 549416754 /nfs/dbraw/zinc/41/67/54/549416754.db2.gz OXUDUNLJXYHUTD-UHFFFAOYSA-N 1 2 357.502 2.216 20 30 FEEDLO C=CC[C@H](CO)NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000248546118 549455362 /nfs/dbraw/zinc/45/53/62/549455362.db2.gz DQEVZDBXQYBTDC-UHOFOFEASA-N 1 2 355.841 2.461 20 30 FEEDLO C=CC[C@H](CO)NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000248546118 549455367 /nfs/dbraw/zinc/45/53/67/549455367.db2.gz DQEVZDBXQYBTDC-UHOFOFEASA-N 1 2 355.841 2.461 20 30 FEEDLO C=CC[N@@H+](C[C@H](O)COc1cc(C)ccc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000248591570 549464711 /nfs/dbraw/zinc/46/47/11/549464711.db2.gz RKZAHFQRJJWDOI-GJZGRUSLSA-N 1 2 373.902 2.063 20 30 FEEDLO C=CC[N@H+](C[C@H](O)COc1cc(C)ccc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000248591570 549464714 /nfs/dbraw/zinc/46/47/14/549464714.db2.gz RKZAHFQRJJWDOI-GJZGRUSLSA-N 1 2 373.902 2.063 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCO[C@@]3(CCOC3)C2)c1 ZINC000249063510 549544507 /nfs/dbraw/zinc/54/45/07/549544507.db2.gz YYWYUXAUVYONJW-RXVVDRJESA-N 1 2 371.481 2.430 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CCO[C@@]3(CCOC3)C2)c1 ZINC000249063510 549544511 /nfs/dbraw/zinc/54/45/11/549544511.db2.gz YYWYUXAUVYONJW-RXVVDRJESA-N 1 2 371.481 2.430 20 30 FEEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccccc2SC(C)C)CC1 ZINC000264216399 549992483 /nfs/dbraw/zinc/99/24/83/549992483.db2.gz XDQLZRCUOLMHAH-UHFFFAOYSA-N 1 2 373.522 2.084 20 30 FEEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccccc2SC(C)C)CC1 ZINC000264216399 549992487 /nfs/dbraw/zinc/99/24/87/549992487.db2.gz XDQLZRCUOLMHAH-UHFFFAOYSA-N 1 2 373.522 2.084 20 30 FEEDLO N#CCCN(C(=O)CCC(=O)NCCNc1cccc[nH+]1)c1ccccc1 ZINC000264657919 549999805 /nfs/dbraw/zinc/99/98/05/549999805.db2.gz JVEVSNCRRZOKBR-UHFFFAOYSA-N 1 2 365.437 2.337 20 30 FEEDLO COc1ccc(C(N)=[NH+]O[C@H](C)C(=O)NCc2ccccc2OC)cc1 ZINC000264953276 550004420 /nfs/dbraw/zinc/00/44/20/550004420.db2.gz LMSKTCOLDSNWTP-CYBMUJFWSA-N 1 2 357.410 2.046 20 30 FEEDLO CC[N@@H+](CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1)C[C@H]1CCCO1 ZINC000265137672 550006764 /nfs/dbraw/zinc/00/67/64/550006764.db2.gz PBSRJZQTGGZFAF-HIFRSBDPSA-N 1 2 354.410 2.013 20 30 FEEDLO CC[N@H+](CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1)C[C@H]1CCCO1 ZINC000265137672 550006766 /nfs/dbraw/zinc/00/67/66/550006766.db2.gz PBSRJZQTGGZFAF-HIFRSBDPSA-N 1 2 354.410 2.013 20 30 FEEDLO O=C(C[N@@H+]1CCO[C@@H]2CCC[C@@H]21)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000265158858 550007311 /nfs/dbraw/zinc/00/73/11/550007311.db2.gz VMOUZDZFPUUHDU-DLBZAZTESA-N 1 2 366.383 2.426 20 30 FEEDLO O=C(C[N@H+]1CCO[C@@H]2CCC[C@@H]21)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000265158858 550007315 /nfs/dbraw/zinc/00/73/15/550007315.db2.gz VMOUZDZFPUUHDU-DLBZAZTESA-N 1 2 366.383 2.426 20 30 FEEDLO O=C(C[N@@H+]1CCO[C@H]2CCC[C@H]21)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000265158874 550007593 /nfs/dbraw/zinc/00/75/93/550007593.db2.gz VMOUZDZFPUUHDU-SJORKVTESA-N 1 2 366.383 2.426 20 30 FEEDLO O=C(C[N@H+]1CCO[C@H]2CCC[C@H]21)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000265158874 550007596 /nfs/dbraw/zinc/00/75/96/550007596.db2.gz VMOUZDZFPUUHDU-SJORKVTESA-N 1 2 366.383 2.426 20 30 FEEDLO C#CCOc1ccccc1CNC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000265232015 550008266 /nfs/dbraw/zinc/00/82/66/550008266.db2.gz YPHNPJOPHTYBDB-UHFFFAOYSA-N 1 2 364.449 2.121 20 30 FEEDLO CC(=O)Nc1cc(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)ccc1C ZINC000266984264 550025990 /nfs/dbraw/zinc/02/59/90/550025990.db2.gz UXRUZUWBOHQHGG-UHFFFAOYSA-N 1 2 373.457 2.033 20 30 FEEDLO C[C@@H]1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000268333497 550050627 /nfs/dbraw/zinc/05/06/27/550050627.db2.gz NEWTZUWGXYJWQU-MLGOLLRUSA-N 1 2 371.828 2.456 20 30 FEEDLO COCC1(O)CC[NH+](CC(=O)N(CCC#N)c2cccc(Cl)c2)CC1 ZINC000270367688 550265604 /nfs/dbraw/zinc/26/56/04/550265604.db2.gz LYVHICUSYNGHJR-UHFFFAOYSA-N 1 2 365.861 2.060 20 30 FEEDLO Cc1ncc(CO)c(/C=[NH+]/C[C@@H]2CC(=O)N(Cc3ccccc3)C2)c1O ZINC000270420853 550270652 /nfs/dbraw/zinc/27/06/52/550270652.db2.gz LBTPDNMJKDPNAQ-CTJICSLTSA-N 1 2 353.422 2.056 20 30 FEEDLO COCC[N@H+](CC(=O)N(C)C)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000271083125 550338597 /nfs/dbraw/zinc/33/85/97/550338597.db2.gz AMZCISLGBFVOSO-UHFFFAOYSA-N 1 2 369.469 2.000 20 30 FEEDLO COCC[N@@H+](CC(=O)N(C)C)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000271083125 550338599 /nfs/dbraw/zinc/33/85/99/550338599.db2.gz AMZCISLGBFVOSO-UHFFFAOYSA-N 1 2 369.469 2.000 20 30 FEEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cnc([C@@H]2CCCO2)s1 ZINC000271323933 550364873 /nfs/dbraw/zinc/36/48/73/550364873.db2.gz ZKNZAVQTYJLOMI-CJNGLKHVSA-N 1 2 370.482 2.367 20 30 FEEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cnc([C@@H]2CCCO2)s1 ZINC000271323933 550364875 /nfs/dbraw/zinc/36/48/75/550364875.db2.gz ZKNZAVQTYJLOMI-CJNGLKHVSA-N 1 2 370.482 2.367 20 30 FEEDLO COC1(C)CC[NH+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC1 ZINC000271792843 550402610 /nfs/dbraw/zinc/40/26/10/550402610.db2.gz VBOLARQFDUPZRQ-UHFFFAOYSA-N 1 2 353.426 2.183 20 30 FEEDLO C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000272552104 550457804 /nfs/dbraw/zinc/45/78/04/550457804.db2.gz NOHMQOUBGQIIIO-ZIAGYGMSSA-N 1 2 367.409 2.045 20 30 FEEDLO CN(C(=O)C[NH2+][C@@H](CO)c1c(F)cccc1F)C1(C#N)CCCCC1 ZINC000273101234 550485113 /nfs/dbraw/zinc/48/51/13/550485113.db2.gz MAIKYNNVSRRRQF-HNNXBMFYSA-N 1 2 351.397 2.273 20 30 FEEDLO COc1ccccc1-c1noc([C@H](C)[NH2+]CC(=O)N[C@](C)(C#N)C2CC2)n1 ZINC000273408951 550497718 /nfs/dbraw/zinc/49/77/18/550497718.db2.gz SMTVQUAWTNELHE-HXPMCKFVSA-N 1 2 369.425 2.204 20 30 FEEDLO CS(=O)(=O)[C@H]1CCC[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000274093113 550523018 /nfs/dbraw/zinc/52/30/18/550523018.db2.gz ITYFJHFTSJZJBP-SFHVURJKSA-N 1 2 372.494 2.473 20 30 FEEDLO CS(=O)(=O)[C@H]1CCC[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000274093113 550523019 /nfs/dbraw/zinc/52/30/19/550523019.db2.gz ITYFJHFTSJZJBP-SFHVURJKSA-N 1 2 372.494 2.473 20 30 FEEDLO N#Cc1ccc(N2CCN(C(=O)NCCCn3cc[nH+]c3)CC2)c(Cl)c1 ZINC000278156336 550755264 /nfs/dbraw/zinc/75/52/64/550755264.db2.gz CMQWUBVNCFXWEO-UHFFFAOYSA-N 1 2 372.860 2.330 20 30 FEEDLO CC(C)(CNC(=O)c1cc(-c2cccc(C#N)c2)no1)[NH+]1CCOCC1 ZINC000278952755 550839604 /nfs/dbraw/zinc/83/96/04/550839604.db2.gz LNWMVRQXORZAPX-UHFFFAOYSA-N 1 2 354.410 2.054 20 30 FEEDLO CC1(C)C[N@H+](CCNC(=O)c2cc(-c3cccc(C#N)c3)no2)CCO1 ZINC000279172004 550861279 /nfs/dbraw/zinc/86/12/79/550861279.db2.gz HBPMFYRXNINKOB-UHFFFAOYSA-N 1 2 354.410 2.054 20 30 FEEDLO CC1(C)C[N@@H+](CCNC(=O)c2cc(-c3cccc(C#N)c3)no2)CCO1 ZINC000279172004 550861280 /nfs/dbraw/zinc/86/12/80/550861280.db2.gz HBPMFYRXNINKOB-UHFFFAOYSA-N 1 2 354.410 2.054 20 30 FEEDLO N#CCCn1cc(C[N@H+]2CC(=O)N[C@@H]3CCCC[C@H]32)c(-c2ccncc2)n1 ZINC000279402134 550886027 /nfs/dbraw/zinc/88/60/27/550886027.db2.gz MOHYAFWOUPQTNT-QZTJIDSGSA-N 1 2 364.453 2.102 20 30 FEEDLO N#CCCn1cc(C[N@@H+]2CC(=O)N[C@@H]3CCCC[C@H]32)c(-c2ccncc2)n1 ZINC000279402134 550886028 /nfs/dbraw/zinc/88/60/28/550886028.db2.gz MOHYAFWOUPQTNT-QZTJIDSGSA-N 1 2 364.453 2.102 20 30 FEEDLO C[C@H](CN1CCOCC1)[N@H+](C)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000279756863 550925596 /nfs/dbraw/zinc/92/55/96/550925596.db2.gz QXOOMKKLHYVMLR-QGZVFWFLSA-N 1 2 368.481 2.390 20 30 FEEDLO C[C@H](CN1CCOCC1)[N@@H+](C)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000279756863 550925598 /nfs/dbraw/zinc/92/55/98/550925598.db2.gz QXOOMKKLHYVMLR-QGZVFWFLSA-N 1 2 368.481 2.390 20 30 FEEDLO Cc1ccc(N(CCC#N)C(=O)C[N@H+]2C[C@@H](C)O[C@@]3(CCOC3)C2)cc1C ZINC000280235316 550973515 /nfs/dbraw/zinc/97/35/15/550973515.db2.gz AQILTAVZXJBTOZ-NQIIRXRSSA-N 1 2 371.481 2.430 20 30 FEEDLO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2C[C@@H](C)O[C@@]3(CCOC3)C2)cc1C ZINC000280235316 550973516 /nfs/dbraw/zinc/97/35/16/550973516.db2.gz AQILTAVZXJBTOZ-NQIIRXRSSA-N 1 2 371.481 2.430 20 30 FEEDLO C[C@@H]1Cc2ccccc2N1C(=O)C[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000280467653 550997382 /nfs/dbraw/zinc/99/73/82/550997382.db2.gz MPOXFAXSVDXPSH-MRXNPFEDSA-N 1 2 361.449 2.053 20 30 FEEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)Nc2ccc(Br)cc2)C1=O ZINC000281195467 551072699 /nfs/dbraw/zinc/07/26/99/551072699.db2.gz CCGBUBSNTPIYDL-AWEZNQCLSA-N 1 2 366.259 2.106 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)Nc2ccc(Br)cc2)C1=O ZINC000281195467 551072700 /nfs/dbraw/zinc/07/27/00/551072700.db2.gz CCGBUBSNTPIYDL-AWEZNQCLSA-N 1 2 366.259 2.106 20 30 FEEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O ZINC000281419042 551095007 /nfs/dbraw/zinc/09/50/07/551095007.db2.gz RROYPWRTWMJTEY-IUODEOHRSA-N 1 2 371.397 2.425 20 30 FEEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O ZINC000281419042 551095010 /nfs/dbraw/zinc/09/50/10/551095010.db2.gz RROYPWRTWMJTEY-IUODEOHRSA-N 1 2 371.397 2.425 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O ZINC000281419051 551095017 /nfs/dbraw/zinc/09/50/17/551095017.db2.gz RROYPWRTWMJTEY-WFASDCNBSA-N 1 2 371.397 2.425 20 30 FEEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O ZINC000281419051 551095019 /nfs/dbraw/zinc/09/50/19/551095019.db2.gz RROYPWRTWMJTEY-WFASDCNBSA-N 1 2 371.397 2.425 20 30 FEEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1=O ZINC000281486805 551103694 /nfs/dbraw/zinc/10/36/94/551103694.db2.gz XATFGFPLQSLZIG-MRXNPFEDSA-N 1 2 356.382 2.469 20 30 FEEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1=O ZINC000281486805 551103696 /nfs/dbraw/zinc/10/36/96/551103696.db2.gz XATFGFPLQSLZIG-MRXNPFEDSA-N 1 2 356.382 2.469 20 30 FEEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000281594336 551117783 /nfs/dbraw/zinc/11/77/83/551117783.db2.gz VRHZYFMJEADRGX-AZUAARDMSA-N 1 2 373.497 2.299 20 30 FEEDLO C=CCN1CC[C@@H](N(C)C(=O)CSCc2cn3cc(C)ccc3[nH+]2)C1=O ZINC000281682148 551130056 /nfs/dbraw/zinc/13/00/56/551130056.db2.gz KPBYQPXGQMIWGT-MRXNPFEDSA-N 1 2 372.494 2.121 20 30 FEEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)Nc2ccccc2C(F)(F)F)C1=O ZINC000281936405 551159817 /nfs/dbraw/zinc/15/98/17/551159817.db2.gz INOWSLKRDMTVBJ-CQSZACIVSA-N 1 2 355.360 2.363 20 30 FEEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccccc2C(F)(F)F)C1=O ZINC000281936405 551159818 /nfs/dbraw/zinc/15/98/18/551159818.db2.gz INOWSLKRDMTVBJ-CQSZACIVSA-N 1 2 355.360 2.363 20 30 FEEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)CC(=O)NCc1cccs1 ZINC000497355039 561499046 /nfs/dbraw/zinc/49/90/46/561499046.db2.gz QCSMUBYQKJVUIQ-ZDUSSCGKSA-N 1 2 356.451 2.195 20 30 FEEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)CC(=O)NCc1cccs1 ZINC000497355039 561499047 /nfs/dbraw/zinc/49/90/47/561499047.db2.gz QCSMUBYQKJVUIQ-ZDUSSCGKSA-N 1 2 356.451 2.195 20 30 FEEDLO C=CCn1c(CCC(C)C)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000282186762 551191870 /nfs/dbraw/zinc/19/18/70/551191870.db2.gz FWUUNODIEWOYOM-UHFFFAOYSA-N 1 2 355.490 2.478 20 30 FEEDLO COc1cc(N2CC[NH+](CC(=O)N[C@@](C)(C#N)C(C)C)CC2)ccc1F ZINC000282898367 551283368 /nfs/dbraw/zinc/28/33/68/551283368.db2.gz WQSAKJZYUUOVDZ-IBGZPJMESA-N 1 2 362.449 2.011 20 30 FEEDLO Cc1cccc([C@@H](CNC(=O)c2cc(C#N)ccn2)[NH+]2CCOCC2)c1 ZINC000283801964 551429696 /nfs/dbraw/zinc/42/96/96/551429696.db2.gz WFDQAWDRDKDPNO-LJQANCHMSA-N 1 2 350.422 2.065 20 30 FEEDLO C[C@H](O[NH+]=C(N)[C@H]1CCCO1)C(=O)Nc1cccc(Br)c1 ZINC000284378396 551536592 /nfs/dbraw/zinc/53/65/92/551536592.db2.gz LWZCSNKMUXECKA-JOYOIKCWSA-N 1 2 356.220 2.244 20 30 FEEDLO C[C@@H](NC(=O)CO[NH+]=C(N)[C@H]1CCCO1)c1ccc(Br)cc1 ZINC000284475097 551557330 /nfs/dbraw/zinc/55/73/30/551557330.db2.gz RNQZLHCLZSLZLD-ZWNOBZJWSA-N 1 2 370.247 2.094 20 30 FEEDLO C=CCCCCNC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC000284528089 551570408 /nfs/dbraw/zinc/57/04/08/551570408.db2.gz RPDDQKSXDUOJEC-UHFFFAOYSA-N 1 2 358.486 2.407 20 30 FEEDLO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CO[NH+]=C(N)[C@H]1CCCO1 ZINC000284621626 551592533 /nfs/dbraw/zinc/59/25/33/551592533.db2.gz ZQOPVHLCMZJXEF-CYBMUJFWSA-N 1 2 360.241 2.420 20 30 FEEDLO Cc1onc(CC(=O)N2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1C#N ZINC000498548209 561527867 /nfs/dbraw/zinc/52/78/67/561527867.db2.gz XYTRZCCQFHOSEZ-UHFFFAOYSA-N 1 2 358.829 2.395 20 30 FEEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000285332668 551739730 /nfs/dbraw/zinc/73/97/30/551739730.db2.gz OAWIRKRJAHTBTG-PXNSSMCTSA-N 1 2 357.454 2.203 20 30 FEEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000285332668 551739731 /nfs/dbraw/zinc/73/97/31/551739731.db2.gz OAWIRKRJAHTBTG-PXNSSMCTSA-N 1 2 357.454 2.203 20 30 FEEDLO COC(=O)c1ccc(C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)nc1 ZINC000285514491 551768166 /nfs/dbraw/zinc/76/81/66/551768166.db2.gz FZYSEUOUAIQWMP-IBGZPJMESA-N 1 2 350.422 2.251 20 30 FEEDLO C=CCOc1ccc(C(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)cc1OC ZINC000286001233 551836832 /nfs/dbraw/zinc/83/68/32/551836832.db2.gz YJXXSGUUDDXHMB-DOTOQJQBSA-N 1 2 360.454 2.195 20 30 FEEDLO CCOC(=O)C1(S(C)(=O)=O)CC[NH+]([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000286441081 551885884 /nfs/dbraw/zinc/88/58/84/551885884.db2.gz LSDYJPOJZJVNMS-CQSZACIVSA-N 1 2 364.467 2.062 20 30 FEEDLO CCOC(=O)c1cnn(Cc2cn3cc(Br)ccc3[nH+]2)c1C#N ZINC000499481863 561551970 /nfs/dbraw/zinc/55/19/70/561551970.db2.gz ROLODJQUFLRYCI-UHFFFAOYSA-N 1 2 374.198 2.390 20 30 FEEDLO C#CC[C@@H](Cc1ccccc1)NC(=O)N1CC[C@@H]([NH+]2CCN(CC)CC2)C1 ZINC000288240561 552117055 /nfs/dbraw/zinc/11/70/55/552117055.db2.gz SFWNDKOFORGRBS-LEWJYISDSA-N 1 2 368.525 2.042 20 30 FEEDLO C=CCOc1ccc(CNC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)cc1 ZINC000288465379 552158212 /nfs/dbraw/zinc/15/82/12/552158212.db2.gz PBVAVLMNMABRGO-SFHVURJKSA-N 1 2 359.470 2.258 20 30 FEEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](C)C(=O)Nc2ccccc2OC(F)F)C1=O ZINC000499935722 561562244 /nfs/dbraw/zinc/56/22/44/561562244.db2.gz MPVRLQCEGMHDSX-GXTWGEPZSA-N 1 2 367.396 2.334 20 30 FEEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H](C)C(=O)Nc2ccccc2OC(F)F)C1=O ZINC000499935722 561562245 /nfs/dbraw/zinc/56/22/45/561562245.db2.gz MPVRLQCEGMHDSX-GXTWGEPZSA-N 1 2 367.396 2.334 20 30 FEEDLO C=CCCCN(C)C(=O)C(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000288828759 552220356 /nfs/dbraw/zinc/22/03/56/552220356.db2.gz OPESCEIVFISABA-UHFFFAOYSA-N 1 2 354.454 2.167 20 30 FEEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)C1=O ZINC000499986331 561563527 /nfs/dbraw/zinc/56/35/27/561563527.db2.gz IMLLMZAARIXOBZ-HZPDHXFCSA-N 1 2 365.836 2.303 20 30 FEEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)C1=O ZINC000499986331 561563528 /nfs/dbraw/zinc/56/35/28/561563528.db2.gz IMLLMZAARIXOBZ-HZPDHXFCSA-N 1 2 365.836 2.303 20 30 FEEDLO C=CCCN(C)C(=O)C(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000288856066 552225299 /nfs/dbraw/zinc/22/52/99/552225299.db2.gz QRAXCOBPHKHIPM-UHFFFAOYSA-N 1 2 354.454 2.167 20 30 FEEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)Nc2ccc(C(F)(F)F)cc2)C1=O ZINC000500018881 561564199 /nfs/dbraw/zinc/56/41/99/561564199.db2.gz XPPOOQZCABBMGW-AWEZNQCLSA-N 1 2 355.360 2.363 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)Nc2ccc(C(F)(F)F)cc2)C1=O ZINC000500018881 561564200 /nfs/dbraw/zinc/56/42/00/561564200.db2.gz XPPOOQZCABBMGW-AWEZNQCLSA-N 1 2 355.360 2.363 20 30 FEEDLO Cc1nsc(N2CC[NH+](C[C@@H](O)c3c(F)cccc3F)CC2)c1C#N ZINC000289463626 552325858 /nfs/dbraw/zinc/32/58/58/552325858.db2.gz MGJYCHGSMRNXQA-OAHLLOKOSA-N 1 2 364.421 2.457 20 30 FEEDLO Cc1nsc(N2CC[NH+]([C@H](C)C(=O)N3CCC(C)CC3)CC2)c1C#N ZINC000289586721 552345121 /nfs/dbraw/zinc/34/51/21/552345121.db2.gz WVSDZSQDGIQWKF-OAHLLOKOSA-N 1 2 361.515 2.092 20 30 FEEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CC[C@@](CO)(c3ccccc3)C2)C1=O ZINC000291604984 552642548 /nfs/dbraw/zinc/64/25/48/552642548.db2.gz CAUJXZSXRQRZPM-FXAWDEMLSA-N 1 2 367.474 2.361 20 30 FEEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CC[C@@](CO)(c3ccccc3)C2)C1=O ZINC000291604984 552642550 /nfs/dbraw/zinc/64/25/50/552642550.db2.gz CAUJXZSXRQRZPM-FXAWDEMLSA-N 1 2 367.474 2.361 20 30 FEEDLO CC(C)[N@H+](CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1)[C@@H]1CCOC1 ZINC000292008021 552683960 /nfs/dbraw/zinc/68/39/60/552683960.db2.gz XQNAAYBDOGDSNB-HIFRSBDPSA-N 1 2 354.410 2.011 20 30 FEEDLO CC(C)[N@@H+](CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1)[C@@H]1CCOC1 ZINC000292008021 552683961 /nfs/dbraw/zinc/68/39/61/552683961.db2.gz XQNAAYBDOGDSNB-HIFRSBDPSA-N 1 2 354.410 2.011 20 30 FEEDLO C[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000292128732 552696625 /nfs/dbraw/zinc/69/66/25/552696625.db2.gz IMQWUJPRKTYZMH-HNNXBMFYSA-N 1 2 360.401 2.023 20 30 FEEDLO C[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000292128732 552696626 /nfs/dbraw/zinc/69/66/26/552696626.db2.gz IMQWUJPRKTYZMH-HNNXBMFYSA-N 1 2 360.401 2.023 20 30 FEEDLO Cc1nnsc1CN1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000292155463 552699131 /nfs/dbraw/zinc/69/91/31/552699131.db2.gz VTECGVIGVBBWFL-UHFFFAOYSA-N 1 2 354.439 2.006 20 30 FEEDLO CC(C)(C)c1cc(NC(=O)C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)on1 ZINC000292311997 552714908 /nfs/dbraw/zinc/71/49/08/552714908.db2.gz VIUUERMUQOLKSN-CQSZACIVSA-N 1 2 369.425 2.331 20 30 FEEDLO CC(C)(C)c1cc(NC(=O)C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)on1 ZINC000292311997 552714910 /nfs/dbraw/zinc/71/49/10/552714910.db2.gz VIUUERMUQOLKSN-CQSZACIVSA-N 1 2 369.425 2.331 20 30 FEEDLO C=CCOCC[N@H+]1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000293295781 552808713 /nfs/dbraw/zinc/80/87/13/552808713.db2.gz ZETWTQPBTXGKFG-UHFFFAOYSA-N 1 2 364.920 2.301 20 30 FEEDLO C=CCOCC[N@@H+]1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000293295781 552808715 /nfs/dbraw/zinc/80/87/15/552808715.db2.gz ZETWTQPBTXGKFG-UHFFFAOYSA-N 1 2 364.920 2.301 20 30 FEEDLO COC(=O)C[N@H+](CCOCCC#N)Cc1cccc(Br)c1 ZINC000294701867 552927966 /nfs/dbraw/zinc/92/79/66/552927966.db2.gz UOWACAAQRCREKF-UHFFFAOYSA-N 1 2 355.232 2.354 20 30 FEEDLO COC(=O)C[N@@H+](CCOCCC#N)Cc1cccc(Br)c1 ZINC000294701867 552927968 /nfs/dbraw/zinc/92/79/68/552927968.db2.gz UOWACAAQRCREKF-UHFFFAOYSA-N 1 2 355.232 2.354 20 30 FEEDLO C[N@H+](Cc1cc(C#N)ccc1Br)[C@H]1CCN2CCO[C@H]1C2 ZINC000295313740 552985819 /nfs/dbraw/zinc/98/58/19/552985819.db2.gz GHDROYGGNRLIRJ-HOTGVXAUSA-N 1 2 350.260 2.226 20 30 FEEDLO C[N@@H+](Cc1cc(C#N)ccc1Br)[C@H]1CCN2CCO[C@H]1C2 ZINC000295313740 552985821 /nfs/dbraw/zinc/98/58/21/552985821.db2.gz GHDROYGGNRLIRJ-HOTGVXAUSA-N 1 2 350.260 2.226 20 30 FEEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCC[C@@H](OC(=O)N(C)C)C1 ZINC000295717599 553049408 /nfs/dbraw/zinc/04/94/08/553049408.db2.gz VBVSFRAADPIEQT-FUHWJXTLSA-N 1 2 372.469 2.484 20 30 FEEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCC[C@@H](OC(=O)N(C)C)C1 ZINC000295717599 553049410 /nfs/dbraw/zinc/04/94/10/553049410.db2.gz VBVSFRAADPIEQT-FUHWJXTLSA-N 1 2 372.469 2.484 20 30 FEEDLO Cc1cc(C(=O)N2CCN(c3cccc[nH+]3)CC2)nn1-c1cccc(C#N)c1 ZINC000502539028 561620657 /nfs/dbraw/zinc/62/06/57/561620657.db2.gz IMTDYLJYYDFQCI-UHFFFAOYSA-N 1 2 372.432 2.410 20 30 FEEDLO C[C@@H]1CCN(C(=O)C(=O)N2CCC(C#N)([NH+](C)C)CC2)[C@@H](c2ccco2)C1 ZINC000297667431 553322318 /nfs/dbraw/zinc/32/23/18/553322318.db2.gz GDGOVSBTZLWFFC-HZPDHXFCSA-N 1 2 372.469 2.026 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CCCN(C=O)CC2)c1 ZINC000298192835 553396690 /nfs/dbraw/zinc/39/66/90/553396690.db2.gz XAPGOXQHWKKRCI-GOSISDBHSA-N 1 2 356.470 2.103 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CCCN(C=O)CC2)c1 ZINC000298192835 553396691 /nfs/dbraw/zinc/39/66/91/553396691.db2.gz XAPGOXQHWKKRCI-GOSISDBHSA-N 1 2 356.470 2.103 20 30 FEEDLO N#Cc1ccc(SCC(=O)N2CC[NH+](Cc3ccccc3)CC2)nc1 ZINC000298322905 553412381 /nfs/dbraw/zinc/41/23/81/553412381.db2.gz VTEJMGNJLIOBOH-UHFFFAOYSA-N 1 2 352.463 2.390 20 30 FEEDLO C[C@@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000299051795 553508793 /nfs/dbraw/zinc/50/87/93/553508793.db2.gz ITGBPIFTHMGORC-BBWFWOEESA-N 1 2 355.486 2.253 20 30 FEEDLO C[C@@H](O)CNc1cc(N2CCC(Oc3ccc(C#N)cc3F)CC2)nc[nH+]1 ZINC000299118968 553517497 /nfs/dbraw/zinc/51/74/97/553517497.db2.gz XHKYPCWXTQFUHG-CYBMUJFWSA-N 1 2 371.416 2.328 20 30 FEEDLO C[C@@H](O)CNc1cc(N2CCC(Oc3ccc(C#N)cc3F)CC2)[nH+]cn1 ZINC000299118968 553517498 /nfs/dbraw/zinc/51/74/98/553517498.db2.gz XHKYPCWXTQFUHG-CYBMUJFWSA-N 1 2 371.416 2.328 20 30 FEEDLO Cc1[nH]c2ccccc2c1CC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000299522662 553575377 /nfs/dbraw/zinc/57/53/77/553575377.db2.gz LQZZMNCXDSCCNF-UHFFFAOYSA-N 1 2 354.454 2.093 20 30 FEEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCN(c2ccc(C(=O)OC)cc2)C[C@H]1C ZINC000504476731 561658727 /nfs/dbraw/zinc/65/87/27/561658727.db2.gz HTXPSXNTJUCWPI-QGZVFWFLSA-N 1 2 373.497 2.408 20 30 FEEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCN(c2ccc(C(=O)OC)cc2)C[C@H]1C ZINC000504476731 561658728 /nfs/dbraw/zinc/65/87/28/561658728.db2.gz HTXPSXNTJUCWPI-QGZVFWFLSA-N 1 2 373.497 2.408 20 30 FEEDLO Cn1cc(C#N)cc1C(=O)N1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000328631668 553799575 /nfs/dbraw/zinc/79/95/75/553799575.db2.gz RGGUHKHPNGQVNP-MRXNPFEDSA-N 1 2 365.437 2.185 20 30 FEEDLO N#C[C@H]1CC[C@@H]([NH+]2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)C1 ZINC000328719447 553812097 /nfs/dbraw/zinc/81/20/97/553812097.db2.gz GHUFJNUURFUVMU-MAUKXSAKSA-N 1 2 359.495 2.174 20 30 FEEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N3C[C@@H]4COC[C@H](C3)O4)n2)C1 ZINC000328824001 553828547 /nfs/dbraw/zinc/82/85/47/553828547.db2.gz SADWOJHMXTWCKW-AEGPPILISA-N 1 2 366.487 2.020 20 30 FEEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N3C[C@@H]4COC[C@H](C3)O4)n2)C1 ZINC000328824001 553828548 /nfs/dbraw/zinc/82/85/48/553828548.db2.gz SADWOJHMXTWCKW-AEGPPILISA-N 1 2 366.487 2.020 20 30 FEEDLO CC(C)[C@H](CNC(=O)c1coc(C2CCOCC2)n1)[NH+]1CCOCC1 ZINC000328826134 553828615 /nfs/dbraw/zinc/82/86/15/553828615.db2.gz SOMKRIVSCXCFHR-INIZCTEOSA-N 1 2 351.447 2.230 20 30 FEEDLO C[N@@H+]1CCN(S(=O)(=O)c2ccc(C#N)s2)C[C@@H]1Cc1ccccc1 ZINC000328854831 553833512 /nfs/dbraw/zinc/83/35/12/553833512.db2.gz CMFSXZQXLZJYFH-HNNXBMFYSA-N 1 2 361.492 2.167 20 30 FEEDLO C[N@H+]1CCN(S(=O)(=O)c2ccc(C#N)s2)C[C@@H]1Cc1ccccc1 ZINC000328854831 553833513 /nfs/dbraw/zinc/83/35/13/553833513.db2.gz CMFSXZQXLZJYFH-HNNXBMFYSA-N 1 2 361.492 2.167 20 30 FEEDLO C[C@H](NC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1)c1ccccc1-n1cccn1 ZINC000328888876 553839167 /nfs/dbraw/zinc/83/91/67/553839167.db2.gz QKQIBHJSRJHSBJ-IPELMVKDSA-N 1 2 369.469 2.252 20 30 FEEDLO C[C@H](NC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1)c1ccccc1-n1cccn1 ZINC000328888876 553839169 /nfs/dbraw/zinc/83/91/69/553839169.db2.gz QKQIBHJSRJHSBJ-IPELMVKDSA-N 1 2 369.469 2.252 20 30 FEEDLO CCC(CC)[C@@H]1C[C@H](NC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)CCO1 ZINC000328899109 553841341 /nfs/dbraw/zinc/84/13/41/553841341.db2.gz XCTBEJLKVRXADJ-OWSLCNJRSA-N 1 2 353.507 2.289 20 30 FEEDLO CCC(CC)[C@@H]1C[C@H](NC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)CCO1 ZINC000328899109 553841343 /nfs/dbraw/zinc/84/13/43/553841343.db2.gz XCTBEJLKVRXADJ-OWSLCNJRSA-N 1 2 353.507 2.289 20 30 FEEDLO CC(C)(C)C(=O)N1CSC[C@H]1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000328902397 553841857 /nfs/dbraw/zinc/84/18/57/553841857.db2.gz GOJFCRVIZASNSU-ZDUSSCGKSA-N 1 2 357.520 2.001 20 30 FEEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)Nc3ncc(C(F)(F)F)s3)C[C@H]21 ZINC000328936025 553848741 /nfs/dbraw/zinc/84/87/41/553848741.db2.gz ANMBWDFDERBWPY-RKDXNWHRSA-N 1 2 350.366 2.112 20 30 FEEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)Nc3ncc(C(F)(F)F)s3)C[C@H]21 ZINC000328936025 553848742 /nfs/dbraw/zinc/84/87/42/553848742.db2.gz ANMBWDFDERBWPY-RKDXNWHRSA-N 1 2 350.366 2.112 20 30 FEEDLO CO[C@H]1C[C@@H](C(=O)N2CCCC2)[N@H+](CC(=O)Nc2ccc(C)c(F)c2)C1 ZINC000328986293 553859138 /nfs/dbraw/zinc/85/91/38/553859138.db2.gz ZXWBSCSCKNYUBQ-RDJZCZTQSA-N 1 2 363.433 2.434 20 30 FEEDLO CO[C@H]1C[C@@H](C(=O)N2CCCC2)[N@@H+](CC(=O)Nc2ccc(C)c(F)c2)C1 ZINC000328986293 553859139 /nfs/dbraw/zinc/85/91/39/553859139.db2.gz ZXWBSCSCKNYUBQ-RDJZCZTQSA-N 1 2 363.433 2.434 20 30 FEEDLO CC[N@H+](C[C@@H](C)C#N)[C@@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000506059890 561688703 /nfs/dbraw/zinc/68/87/03/561688703.db2.gz CDSOAJFCDNDEOV-HOCLYGCPSA-N 1 2 369.469 2.293 20 30 FEEDLO CC[N@@H+](C[C@@H](C)C#N)[C@@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000506059890 561688705 /nfs/dbraw/zinc/68/87/05/561688705.db2.gz CDSOAJFCDNDEOV-HOCLYGCPSA-N 1 2 369.469 2.293 20 30 FEEDLO CC[N@H+](C[C@@H](C)C#N)[C@H](C)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F ZINC000506055094 561688827 /nfs/dbraw/zinc/68/88/27/561688827.db2.gz AAMYBYLNQDOJNF-WDEREUQCSA-N 1 2 370.375 2.029 20 30 FEEDLO CC[N@@H+](C[C@@H](C)C#N)[C@H](C)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F ZINC000506055094 561688828 /nfs/dbraw/zinc/68/88/28/561688828.db2.gz AAMYBYLNQDOJNF-WDEREUQCSA-N 1 2 370.375 2.029 20 30 FEEDLO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CC[C@H](c3nc(C4CC4)no3)C2)C1=O ZINC000329027171 553867043 /nfs/dbraw/zinc/86/70/43/553867043.db2.gz KBVQGJIFOFWFIA-UONOGXRCSA-N 1 2 369.450 2.475 20 30 FEEDLO N#Cc1ccsc1N1CC[C@@H]([N@H+]2CC[C@H](c3nc(C4CC4)no3)C2)C1=O ZINC000329027171 553867045 /nfs/dbraw/zinc/86/70/45/553867045.db2.gz KBVQGJIFOFWFIA-UONOGXRCSA-N 1 2 369.450 2.475 20 30 FEEDLO Cc1nscc1C(=O)N[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C ZINC000329091166 553879178 /nfs/dbraw/zinc/87/91/78/553879178.db2.gz WTTVNAVUDOYZIS-CZUORRHYSA-N 1 2 359.455 2.384 20 30 FEEDLO O=C(NCCc1csc(N2CCCC2)n1)C1([NH+]2CCOCC2)CCC1 ZINC000329127443 553885301 /nfs/dbraw/zinc/88/53/01/553885301.db2.gz ZADRSQBPZAQNBX-UHFFFAOYSA-N 1 2 364.515 2.497 20 30 FEEDLO COc1cc(Br)cc(NC(=O)N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)c1 ZINC000329130005 553885877 /nfs/dbraw/zinc/88/58/77/553885877.db2.gz OCPDTBJNLGCAPV-KBPBESRZSA-N 1 2 370.247 2.018 20 30 FEEDLO COc1cc(Br)cc(NC(=O)N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)c1 ZINC000329130005 553885880 /nfs/dbraw/zinc/88/58/80/553885880.db2.gz OCPDTBJNLGCAPV-KBPBESRZSA-N 1 2 370.247 2.018 20 30 FEEDLO NC(=O)C1CCN(c2[nH+]cccc2CNC(=O)N[C@@H]2CCCOC2)CC1 ZINC000329185766 553897947 /nfs/dbraw/zinc/89/79/47/553897947.db2.gz QHSFQBGQSCYNTJ-OAHLLOKOSA-N 1 2 361.446 2.016 20 30 FEEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)N[C@@H]2CC(=O)N(C3CCCCC3)C2)C1 ZINC000329200235 553900962 /nfs/dbraw/zinc/90/09/62/553900962.db2.gz XFPAEXSFDUKDTK-HUUCEWRRSA-N 1 2 359.474 2.057 20 30 FEEDLO C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000329202074 553901385 /nfs/dbraw/zinc/90/13/85/553901385.db2.gz WWLJODHVEKHKCK-OCGHMNHXSA-N 1 2 366.527 2.419 20 30 FEEDLO C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000329202074 553901387 /nfs/dbraw/zinc/90/13/87/553901387.db2.gz WWLJODHVEKHKCK-OCGHMNHXSA-N 1 2 366.527 2.419 20 30 FEEDLO Cn1nc(C(=O)NC2CCN(c3cccc[nH+]3)CC2)c(=O)c2ccccc21 ZINC000329237318 553908332 /nfs/dbraw/zinc/90/83/32/553908332.db2.gz OYXSDIFQJMZDCL-UHFFFAOYSA-N 1 2 363.421 2.302 20 30 FEEDLO C[C@@H]1CCN(C(=O)N[C@@H]2CCC(=O)N(C3CC3)[C@H]2c2c[nH+]cn2C)[C@@H]1C ZINC000329244416 553909772 /nfs/dbraw/zinc/90/97/72/553909772.db2.gz ULQXKITXIAEQLU-HOPMXRPOSA-N 1 2 359.474 2.259 20 30 FEEDLO CC(C)(C(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1)c1cccnc1 ZINC000329385238 553935788 /nfs/dbraw/zinc/93/57/88/553935788.db2.gz RWYRCYSWJQWCIJ-UHFFFAOYSA-N 1 2 358.486 2.260 20 30 FEEDLO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(c2ccnc3c2cnn3C)CC1 ZINC000329392191 553937635 /nfs/dbraw/zinc/93/76/35/553937635.db2.gz RZLWSGNWJPOBPI-AWEZNQCLSA-N 1 2 356.474 2.378 20 30 FEEDLO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)c2csc(=NC3CC3)[nH]2)C[C@H](C)O1 ZINC000329418295 553942947 /nfs/dbraw/zinc/94/29/47/553942947.db2.gz DROGNPIWLSQHOI-TXEJJXNPSA-N 1 2 352.504 2.910 20 30 FEEDLO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)c2csc(=NC3CC3)[nH]2)C[C@H](C)O1 ZINC000329418295 553942950 /nfs/dbraw/zinc/94/29/50/553942950.db2.gz DROGNPIWLSQHOI-TXEJJXNPSA-N 1 2 352.504 2.910 20 30 FEEDLO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)c2csc(NC3CC3)n2)C[C@H](C)O1 ZINC000329418295 553942952 /nfs/dbraw/zinc/94/29/52/553942952.db2.gz DROGNPIWLSQHOI-TXEJJXNPSA-N 1 2 352.504 2.910 20 30 FEEDLO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)c2csc(NC3CC3)n2)C[C@H](C)O1 ZINC000329418295 553942953 /nfs/dbraw/zinc/94/29/53/553942953.db2.gz DROGNPIWLSQHOI-TXEJJXNPSA-N 1 2 352.504 2.910 20 30 FEEDLO Cc1cnc([C@H](C)CNC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)s1 ZINC000329432362 553945943 /nfs/dbraw/zinc/94/59/43/553945943.db2.gz IBTZQTMHHQLKOP-VNHYZAJKSA-N 1 2 352.504 2.264 20 30 FEEDLO CC(C)(CNC(=O)CN1CCO[C@H](C2CCCCC2)C1)[NH+]1CCOCC1 ZINC000329436076 553946382 /nfs/dbraw/zinc/94/63/82/553946382.db2.gz LVLHIHBTXZTHBO-SFHVURJKSA-N 1 2 367.534 2.335 20 30 FEEDLO CN1C(=O)CO[C@H](C(=O)NCc2cn3c([nH+]2)CCCC3)[C@@H]1c1ccccc1 ZINC000329450105 553949442 /nfs/dbraw/zinc/94/94/42/553949442.db2.gz CNNJCNCRPVEEND-OALUTQOASA-N 1 2 368.437 2.274 20 30 FEEDLO N#Cc1ccnc(N2CC[NH+](Cc3cnn(CC(F)(F)F)c3)CC2)c1 ZINC000506688784 561706017 /nfs/dbraw/zinc/70/60/17/561706017.db2.gz QQSZADHWHLGWLO-UHFFFAOYSA-N 1 2 350.348 2.034 20 30 FEEDLO CC1(C)C[N@H+](CCNC(=O)N2CCO[C@H](C3CCCCC3)C2)CCO1 ZINC000329475123 553953797 /nfs/dbraw/zinc/95/37/97/553953797.db2.gz BRGLGVBBOWRUPE-KRWDZBQOSA-N 1 2 353.507 2.292 20 30 FEEDLO CC1(C)C[N@@H+](CCNC(=O)N2CCO[C@H](C3CCCCC3)C2)CCO1 ZINC000329475123 553953800 /nfs/dbraw/zinc/95/38/00/553953800.db2.gz BRGLGVBBOWRUPE-KRWDZBQOSA-N 1 2 353.507 2.292 20 30 FEEDLO CC(=O)N[C@H](C)C1CCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000329517083 553961142 /nfs/dbraw/zinc/96/11/42/553961142.db2.gz PFFJUGKLSAKHTK-KDOFPFPSSA-N 1 2 351.491 2.233 20 30 FEEDLO CC(=O)N[C@H](C)C1CCN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000329517083 553961143 /nfs/dbraw/zinc/96/11/43/553961143.db2.gz PFFJUGKLSAKHTK-KDOFPFPSSA-N 1 2 351.491 2.233 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1conc1Cc1ccccc1 ZINC000506807230 561708997 /nfs/dbraw/zinc/70/89/97/561708997.db2.gz SFGPEAFMIHNWDO-UHFFFAOYSA-N 1 2 354.454 2.313 20 30 FEEDLO C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC000329571006 553969281 /nfs/dbraw/zinc/96/92/81/553969281.db2.gz MNGXLMNTAKKADB-IJEWVQPXSA-N 1 2 366.483 2.222 20 30 FEEDLO C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC000329571006 553969283 /nfs/dbraw/zinc/96/92/83/553969283.db2.gz MNGXLMNTAKKADB-IJEWVQPXSA-N 1 2 366.483 2.222 20 30 FEEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)[C@@H]1CCCCS1(=O)=O)C2 ZINC000329588001 553972512 /nfs/dbraw/zinc/97/25/12/553972512.db2.gz MWOIKCLNIADKOJ-STQMWFEESA-N 1 2 353.488 2.419 20 30 FEEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)N[C@H]3CCOc4c(Cl)cccc43)C[C@@H]21 ZINC000329641959 553981303 /nfs/dbraw/zinc/98/13/03/553981303.db2.gz CTGHUQNEVBGBCP-SOUVJXGZSA-N 1 2 351.834 2.092 20 30 FEEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)N[C@H]3CCOc4c(Cl)cccc43)C[C@@H]21 ZINC000329641959 553981305 /nfs/dbraw/zinc/98/13/05/553981305.db2.gz CTGHUQNEVBGBCP-SOUVJXGZSA-N 1 2 351.834 2.092 20 30 FEEDLO Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000329669008 553985286 /nfs/dbraw/zinc/98/52/86/553985286.db2.gz MCHAVYPCZUIXCP-DLBZAZTESA-N 1 2 374.485 2.253 20 30 FEEDLO Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)[N@H+]1CCN2CCOC[C@H]2C1 ZINC000329669008 553985288 /nfs/dbraw/zinc/98/52/88/553985288.db2.gz MCHAVYPCZUIXCP-DLBZAZTESA-N 1 2 374.485 2.253 20 30 FEEDLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)N1CCOCC2(CCOCC2)C1 ZINC000329759626 554001434 /nfs/dbraw/zinc/00/14/34/554001434.db2.gz PCMWNUPSXJSJRS-UHFFFAOYSA-N 1 2 370.453 2.415 20 30 FEEDLO Cc1nc(C)c(NC(=O)N2CC[NH+]([C@H](C)C(=O)NC3CC3)CC2)s1 ZINC000329776300 554004050 /nfs/dbraw/zinc/00/40/50/554004050.db2.gz NYMNTINEQNCUBR-LLVKDONJSA-N 1 2 351.476 2.430 20 30 FEEDLO Cc1ccc(-n2cc(NC(=O)N3C[C@@H]4[C@H](C3)OCC[N@H+]4C)cn2)c(C)c1 ZINC000329840588 554016458 /nfs/dbraw/zinc/01/64/58/554016458.db2.gz OFQCJGOOQZDDLE-MSOLQXFVSA-N 1 2 355.442 2.049 20 30 FEEDLO Cc1ccc(-n2cc(NC(=O)N3C[C@@H]4[C@H](C3)OCC[N@@H+]4C)cn2)c(C)c1 ZINC000329840588 554016459 /nfs/dbraw/zinc/01/64/59/554016459.db2.gz OFQCJGOOQZDDLE-MSOLQXFVSA-N 1 2 355.442 2.049 20 30 FEEDLO C[C@H](C(=O)Nc1ccc2c(c1)OC(F)(F)O2)[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000329870875 554022602 /nfs/dbraw/zinc/02/26/02/554022602.db2.gz AIEUXICSKINBFW-BDJLRTHQSA-N 1 2 370.352 2.476 20 30 FEEDLO C[C@H](C(=O)Nc1ccc2c(c1)OC(F)(F)O2)[N@H+]1CCO[C@]2(CCOC2)C1 ZINC000329870875 554022605 /nfs/dbraw/zinc/02/26/05/554022605.db2.gz AIEUXICSKINBFW-BDJLRTHQSA-N 1 2 370.352 2.476 20 30 FEEDLO CSC1(CNC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)CCOCC1 ZINC000329889998 554025196 /nfs/dbraw/zinc/02/51/96/554025196.db2.gz FLQROSZRFDELJN-OAHLLOKOSA-N 1 2 351.472 2.361 20 30 FEEDLO COc1ccc(CNC(=O)C[N@@H+]2CCO[C@]3(CCO[C@@H]3C)C2)cc1OC ZINC000329915581 554030663 /nfs/dbraw/zinc/03/06/63/554030663.db2.gz PRZJYBPKXJVBBJ-AUUYWEPGSA-N 1 2 364.442 2.040 20 30 FEEDLO COc1ccc(CNC(=O)C[N@H+]2CCO[C@]3(CCO[C@@H]3C)C2)cc1OC ZINC000329915581 554030668 /nfs/dbraw/zinc/03/06/68/554030668.db2.gz PRZJYBPKXJVBBJ-AUUYWEPGSA-N 1 2 364.442 2.040 20 30 FEEDLO O=C(NCc1cc(F)cc2c1OCOC2)NC[C@@H]1CCc2[nH+]ccn2C1 ZINC000329914961 554031010 /nfs/dbraw/zinc/03/10/10/554031010.db2.gz PIJJUVLSMSVPQZ-LBPRGKRZSA-N 1 2 360.389 2.155 20 30 FEEDLO C[C@H]1OCC[C@@]12C[N@H+](CC(=O)NCCO[C@H]1CCCC[C@H]1C)CCO2 ZINC000329920647 554031812 /nfs/dbraw/zinc/03/18/12/554031812.db2.gz FDKWQANQCWRCNW-VXIBKDFQSA-N 1 2 354.491 2.418 20 30 FEEDLO C[C@H]1OCC[C@@]12C[N@@H+](CC(=O)NCCO[C@H]1CCCC[C@H]1C)CCO2 ZINC000329920647 554031813 /nfs/dbraw/zinc/03/18/13/554031813.db2.gz FDKWQANQCWRCNW-VXIBKDFQSA-N 1 2 354.491 2.418 20 30 FEEDLO CS(=O)(=O)c1ccc(CNC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)s1 ZINC000329931352 554034339 /nfs/dbraw/zinc/03/43/39/554034339.db2.gz APXUPXFZRUXMRK-CQSZACIVSA-N 1 2 372.512 2.252 20 30 FEEDLO CS(=O)(=O)c1ccc(CNC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)s1 ZINC000329931352 554034340 /nfs/dbraw/zinc/03/43/40/554034340.db2.gz APXUPXFZRUXMRK-CQSZACIVSA-N 1 2 372.512 2.252 20 30 FEEDLO C[C@@H]1C(=O)CC[C@@H](C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C1(C)C ZINC000329942210 554036192 /nfs/dbraw/zinc/03/61/92/554036192.db2.gz VLMJTFDCUAQBMA-HIFRSBDPSA-N 1 2 351.491 2.137 20 30 FEEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1 ZINC000329951414 554037964 /nfs/dbraw/zinc/03/79/64/554037964.db2.gz COOKDLODCKZPAU-MWDXBVQZSA-N 1 2 350.438 2.270 20 30 FEEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1 ZINC000329951414 554037965 /nfs/dbraw/zinc/03/79/65/554037965.db2.gz COOKDLODCKZPAU-MWDXBVQZSA-N 1 2 350.438 2.270 20 30 FEEDLO [O-]C(NCCc1csc(N2CCCC2)n1)=[NH+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000329960093 554039240 /nfs/dbraw/zinc/03/92/40/554039240.db2.gz QWWUYGDFZKTKLN-CQSZACIVSA-N 1 2 374.514 2.249 20 30 FEEDLO O=C(NCCc1csc(N2CCCC2)n1)NC[C@H]1CCc2[nH+]ccn2C1 ZINC000329960093 554039243 /nfs/dbraw/zinc/03/92/43/554039243.db2.gz QWWUYGDFZKTKLN-CQSZACIVSA-N 1 2 374.514 2.249 20 30 FEEDLO [O-]C(NC[C@H]1CCc2[nH+]ccn2C1)=[NH+]CCc1csc(N2CCCC2)n1 ZINC000329960093 554039245 /nfs/dbraw/zinc/03/92/45/554039245.db2.gz QWWUYGDFZKTKLN-CQSZACIVSA-N 1 2 374.514 2.249 20 30 FEEDLO Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)cc1 ZINC000329978222 554042934 /nfs/dbraw/zinc/04/29/34/554042934.db2.gz HDUIILPKZORUGV-ZRNYENFQSA-N 1 2 373.497 2.392 20 30 FEEDLO Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)cc1 ZINC000329978222 554042937 /nfs/dbraw/zinc/04/29/37/554042937.db2.gz HDUIILPKZORUGV-ZRNYENFQSA-N 1 2 373.497 2.392 20 30 FEEDLO C[C@@H]1C(=O)NCCC[N@H+]1CC(=O)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000329983862 554044054 /nfs/dbraw/zinc/04/40/54/554044054.db2.gz PYOIKHQAPKTFSY-OAHLLOKOSA-N 1 2 372.469 2.033 20 30 FEEDLO C[C@@H]1C(=O)NCCC[N@@H+]1CC(=O)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000329983862 554044056 /nfs/dbraw/zinc/04/40/56/554044056.db2.gz PYOIKHQAPKTFSY-OAHLLOKOSA-N 1 2 372.469 2.033 20 30 FEEDLO CC[C@@H]1C[C@@H](C(=O)NC[C@@H]2C[C@H](F)C[N@@H+]2Cc2cnn(C)c2)CCO1 ZINC000329986879 554044496 /nfs/dbraw/zinc/04/44/96/554044496.db2.gz SGBKAJMDAIRPBX-LUKYLMHMSA-N 1 2 352.454 2.494 20 30 FEEDLO CC[C@@H]1C[C@@H](C(=O)NC[C@@H]2C[C@H](F)C[N@H+]2Cc2cnn(C)c2)CCO1 ZINC000329986879 554044497 /nfs/dbraw/zinc/04/44/97/554044497.db2.gz SGBKAJMDAIRPBX-LUKYLMHMSA-N 1 2 352.454 2.494 20 30 FEEDLO Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNC(=O)[C@H]1CCN(C)C(=O)C1 ZINC000329993841 554045772 /nfs/dbraw/zinc/04/57/72/554045772.db2.gz YTBXQQXKSAKTEO-KKUMJFAQSA-N 1 2 366.437 2.029 20 30 FEEDLO Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNC(=O)[C@H]1CCN(C)C(=O)C1 ZINC000329993841 554045774 /nfs/dbraw/zinc/04/57/74/554045774.db2.gz YTBXQQXKSAKTEO-KKUMJFAQSA-N 1 2 366.437 2.029 20 30 FEEDLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)c1cn([C@H]2CCOC2)nn1 ZINC000330046381 554054378 /nfs/dbraw/zinc/05/43/78/554054378.db2.gz GWDFQXQJZKQMOW-HNNXBMFYSA-N 1 2 356.430 2.130 20 30 FEEDLO C[C@@H]1C[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C[C@@]2(CCCOC2)O1 ZINC000330105126 554065248 /nfs/dbraw/zinc/06/52/48/554065248.db2.gz IDMDNUSVOWSSBU-AUUYWEPGSA-N 1 2 354.410 2.378 20 30 FEEDLO C[C@@H]1C[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C[C@@]2(CCCOC2)O1 ZINC000330105126 554065252 /nfs/dbraw/zinc/06/52/52/554065252.db2.gz IDMDNUSVOWSSBU-AUUYWEPGSA-N 1 2 354.410 2.378 20 30 FEEDLO CC(=O)N1CC[C@H](C(=O)N[C@@H](C[NH+]2CCOCC2)c2ccc(C)cc2)C1 ZINC000330186399 554080531 /nfs/dbraw/zinc/08/05/31/554080531.db2.gz SAESOZDBUIEAOO-OALUTQOASA-N 1 2 359.470 2.193 20 30 FEEDLO COc1cc(C[NH+]2CCC(C)(C#N)CC2)cc(Cl)c1OCC(N)=O ZINC000507702566 561738473 /nfs/dbraw/zinc/73/84/73/561738473.db2.gz MOILCMHQLZHWRY-UHFFFAOYSA-N 1 2 351.834 2.338 20 30 FEEDLO O=C(Nc1cc(S(=O)(=O)NC2CC2)ccc1O)[C@H]1CCC[N@@H+]1C1CC1 ZINC000330232485 554089806 /nfs/dbraw/zinc/08/98/06/554089806.db2.gz ROSANVMPMFBONV-OAHLLOKOSA-N 1 2 365.455 2.048 20 30 FEEDLO O=C(Nc1cc(S(=O)(=O)NC2CC2)ccc1O)[C@H]1CCC[N@H+]1C1CC1 ZINC000330232485 554089808 /nfs/dbraw/zinc/08/98/08/554089808.db2.gz ROSANVMPMFBONV-OAHLLOKOSA-N 1 2 365.455 2.048 20 30 FEEDLO O=C(CN1CCC[C@H]2C(=O)NC[C@H]21)Nc1nc(C[NH+]2CCCC2)cs1 ZINC000330254573 554094070 /nfs/dbraw/zinc/09/40/70/554094070.db2.gz PHQBZHASBJVXJN-ZIAGYGMSSA-N 1 2 363.487 2.378 20 30 FEEDLO CCN1CCN(C(=O)Nc2ccc3c(c2)OCC(=O)N3)C[C@H]1c1[nH]cc[nH+]1 ZINC000330319527 554104614 /nfs/dbraw/zinc/10/46/14/554104614.db2.gz DHZREYOTDRELDN-AWEZNQCLSA-N 1 2 370.413 2.314 20 30 FEEDLO Cn1cc(NC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)ccc1=O ZINC000330337900 554107952 /nfs/dbraw/zinc/10/79/52/554107952.db2.gz UPOKVDHHQJAGPZ-UHFFFAOYSA-N 1 2 355.442 2.343 20 30 FEEDLO C[C@H](C(=O)Nc1nc2ccc(F)cc2s1)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000330345751 554108919 /nfs/dbraw/zinc/10/89/19/554108919.db2.gz FOSGXGNIEHHUGQ-HONMWMINSA-N 1 2 364.446 2.427 20 30 FEEDLO C[C@H](C(=O)Nc1nc2ccc(F)cc2s1)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000330345751 554108920 /nfs/dbraw/zinc/10/89/20/554108920.db2.gz FOSGXGNIEHHUGQ-HONMWMINSA-N 1 2 364.446 2.427 20 30 FEEDLO CC(=O)N1CC[NH+](CCNC(=O)c2ccc(C)cc2Br)CC1 ZINC000330462350 554124992 /nfs/dbraw/zinc/12/49/92/554124992.db2.gz YIRADYZECKUJQJ-UHFFFAOYSA-N 1 2 368.275 2.226 20 30 FEEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCN(C(=O)N(C)C)CC1(C)C ZINC000330689239 554157912 /nfs/dbraw/zinc/15/79/12/554157912.db2.gz DUCIFMKGMBCMHK-UHFFFAOYSA-N 1 2 360.458 2.023 20 30 FEEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCN(C(=O)N(C)C)CC1(C)C ZINC000330689239 554157913 /nfs/dbraw/zinc/15/79/13/554157913.db2.gz DUCIFMKGMBCMHK-UHFFFAOYSA-N 1 2 360.458 2.023 20 30 FEEDLO CC(C)(C)[C@@H]1CC[N@H+](CCS(=O)(=O)c2cccc(C#N)c2)C[C@@H]1O ZINC000330872225 554181473 /nfs/dbraw/zinc/18/14/73/554181473.db2.gz UQTLIOMVVGVCSP-SJORKVTESA-N 1 2 350.484 2.061 20 30 FEEDLO CC(C)(C)[C@@H]1CC[N@@H+](CCS(=O)(=O)c2cccc(C#N)c2)C[C@@H]1O ZINC000330872225 554181475 /nfs/dbraw/zinc/18/14/75/554181475.db2.gz UQTLIOMVVGVCSP-SJORKVTESA-N 1 2 350.484 2.061 20 30 FEEDLO C=CCN(Cc1ccccc1)C(=O)C(=O)NCc1[nH+]ccn1CC(C)C ZINC000508722133 561770821 /nfs/dbraw/zinc/77/08/21/561770821.db2.gz RENFONRAZQDBAO-UHFFFAOYSA-N 1 2 354.454 2.370 20 30 FEEDLO CC(C)[C@@H]1CCCC[C@@H]1NC(=O)N1CCO[C@@H](C[N@H+](C)CC(N)=O)C1 ZINC000331229922 554234273 /nfs/dbraw/zinc/23/42/73/554234273.db2.gz HFMFAPNOVAIXBY-JYJNAYRXSA-N 1 2 354.495 2.283 20 30 FEEDLO CC(C)[C@@H]1CCCC[C@@H]1NC(=O)N1CCO[C@@H](C[N@@H+](C)CC(N)=O)C1 ZINC000331229922 554234275 /nfs/dbraw/zinc/23/42/75/554234275.db2.gz HFMFAPNOVAIXBY-JYJNAYRXSA-N 1 2 354.495 2.283 20 30 FEEDLO C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)N1CCO[C@@H](C[N@H+](C)CC(N)=O)C1 ZINC000331232126 554234310 /nfs/dbraw/zinc/23/43/10/554234310.db2.gz ISCZPACZPNEMLW-ILXRZTDVSA-N 1 2 354.495 2.283 20 30 FEEDLO C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)N1CCO[C@@H](C[N@@H+](C)CC(N)=O)C1 ZINC000331232126 554234311 /nfs/dbraw/zinc/23/43/11/554234311.db2.gz ISCZPACZPNEMLW-ILXRZTDVSA-N 1 2 354.495 2.283 20 30 FEEDLO Cc1cc(NC(=O)NCC[N@@H+]2CCOCC2(C)C)c(C#N)cc1N(C)C ZINC000331236877 554234908 /nfs/dbraw/zinc/23/49/08/554234908.db2.gz GWSHRHKTVKVGLV-UHFFFAOYSA-N 1 2 359.474 2.369 20 30 FEEDLO Cc1cc(NC(=O)NCC[N@H+]2CCOCC2(C)C)c(C#N)cc1N(C)C ZINC000331236877 554234910 /nfs/dbraw/zinc/23/49/10/554234910.db2.gz GWSHRHKTVKVGLV-UHFFFAOYSA-N 1 2 359.474 2.369 20 30 FEEDLO CCc1cnc(N2CC[NH+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC2)s1 ZINC000331276666 554239975 /nfs/dbraw/zinc/23/99/75/554239975.db2.gz RDFZVHJUFVUOTB-KDOFPFPSSA-N 1 2 363.531 2.270 20 30 FEEDLO C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000332071043 554374249 /nfs/dbraw/zinc/37/42/49/554374249.db2.gz VNPCFEGWVUPIKP-VXNCWWDNSA-N 1 2 369.513 2.405 20 30 FEEDLO Cc1cc(C)n([C@H](C)C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000332252968 554410687 /nfs/dbraw/zinc/41/06/87/554410687.db2.gz DHTBNXBFQATMRQ-QGZVFWFLSA-N 1 2 351.454 2.277 20 30 FEEDLO CC(C)[C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCC(C#N)([NH+](C)C)CC2)CC1 ZINC000332296651 554419640 /nfs/dbraw/zinc/41/96/40/554419640.db2.gz KDWKXFFOFUVQML-IAGOWNOFSA-N 1 2 362.518 2.154 20 30 FEEDLO Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)[NH+]1CCC(C)(C#N)CC1 ZINC000332642397 554489557 /nfs/dbraw/zinc/48/95/57/554489557.db2.gz VSWFXOVEICGHLX-INIZCTEOSA-N 1 2 356.470 2.372 20 30 FEEDLO Cn1nccc1[C@@H]1CCC[N@@H+]([C@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000333156668 554581061 /nfs/dbraw/zinc/58/10/61/554581061.db2.gz MRBLCPIDDWVVSN-ZBFHGGJFSA-N 1 2 355.467 2.338 20 30 FEEDLO Cn1nccc1[C@@H]1CCC[N@H+]([C@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000333156668 554581062 /nfs/dbraw/zinc/58/10/62/554581062.db2.gz MRBLCPIDDWVVSN-ZBFHGGJFSA-N 1 2 355.467 2.338 20 30 FEEDLO C[C@@H](NC(=O)[C@@H](C)[NH+]1CCC(F)(C#N)CC1)c1ccc2c(c1)OCCO2 ZINC000510913246 561850502 /nfs/dbraw/zinc/85/05/02/561850502.db2.gz CPASHHJAGHPJDP-ZIAGYGMSSA-N 1 2 361.417 2.351 20 30 FEEDLO N#CCCn1cc(C(=O)NCc2[nH]cc[nH+]2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000511377046 561867239 /nfs/dbraw/zinc/86/72/39/561867239.db2.gz IQEOSOZDEMUTIG-UHFFFAOYSA-N 1 2 365.353 2.025 20 30 FEEDLO Cc1nnc(C2CC[NH+]([C@H]3CCCN(c4ccc(C#N)cc4)C3=O)CC2)[nH]1 ZINC000360471955 554875855 /nfs/dbraw/zinc/87/58/55/554875855.db2.gz GODNCUWWJIRFCQ-SFHVURJKSA-N 1 2 364.453 2.360 20 30 FEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(OC)cc1 ZINC000360829423 554891572 /nfs/dbraw/zinc/89/15/72/554891572.db2.gz NPVCMKSXCCDHQB-QAPCUYQASA-N 1 2 372.469 2.106 20 30 FEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@H]1C(=O)Nc1ccc(OC)cc1 ZINC000360829423 554891573 /nfs/dbraw/zinc/89/15/73/554891573.db2.gz NPVCMKSXCCDHQB-QAPCUYQASA-N 1 2 372.469 2.106 20 30 FEEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1[C@H](C(N)=O)C[C@H]2CCCC[C@@H]21 ZINC000361418760 554921499 /nfs/dbraw/zinc/92/14/99/554921499.db2.gz YYARFUVXDNGGDJ-KBMXLJTQSA-N 1 2 372.494 2.359 20 30 FEEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1[C@H](C(N)=O)C[C@H]2CCCC[C@@H]21 ZINC000361418760 554921500 /nfs/dbraw/zinc/92/15/00/554921500.db2.gz YYARFUVXDNGGDJ-KBMXLJTQSA-N 1 2 372.494 2.359 20 30 FEEDLO N#CC1(NC(=O)C[N@@H+]2CCCN(C(=O)c3cccs3)CC2)CCCCC1 ZINC000361517089 554923418 /nfs/dbraw/zinc/92/34/18/554923418.db2.gz YHTGOOUGOFINQE-UHFFFAOYSA-N 1 2 374.510 2.239 20 30 FEEDLO N#CC1(NC(=O)C[N@H+]2CCCN(C(=O)c3cccs3)CC2)CCCCC1 ZINC000361517089 554923420 /nfs/dbraw/zinc/92/34/20/554923420.db2.gz YHTGOOUGOFINQE-UHFFFAOYSA-N 1 2 374.510 2.239 20 30 FEEDLO Cc1nn(C)c(C)c1[C@H]1COCC[N@@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000362344352 554965607 /nfs/dbraw/zinc/96/56/07/554965607.db2.gz YQBLVUYLTMRUOG-GOSISDBHSA-N 1 2 367.453 2.311 20 30 FEEDLO Cc1nn(C)c(C)c1[C@H]1COCC[N@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000362344352 554965609 /nfs/dbraw/zinc/96/56/09/554965609.db2.gz YQBLVUYLTMRUOG-GOSISDBHSA-N 1 2 367.453 2.311 20 30 FEEDLO CCO[C@H](C)c1noc(CN2CCC[N@H+](C[C@H](C#N)CCC#N)CC2)n1 ZINC000363116576 555034141 /nfs/dbraw/zinc/03/41/41/555034141.db2.gz MCYKKKWUSPOGHC-CVEARBPZSA-N 1 2 360.462 2.118 20 30 FEEDLO CCO[C@H](C)c1noc(CN2CCC[N@@H+](C[C@H](C#N)CCC#N)CC2)n1 ZINC000363116576 555034142 /nfs/dbraw/zinc/03/41/42/555034142.db2.gz MCYKKKWUSPOGHC-CVEARBPZSA-N 1 2 360.462 2.118 20 30 FEEDLO N#Cc1ccsc1NC(=O)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000511913928 561885303 /nfs/dbraw/zinc/88/53/03/561885303.db2.gz GVUXIAQSJMMYJZ-UHFFFAOYSA-N 1 2 365.418 2.119 20 30 FEEDLO C=C(C)C[N@H+](CC(=O)NC[C@H]1Cc2ccccc2O1)Cc1ccc(CO)o1 ZINC000512227992 561896697 /nfs/dbraw/zinc/89/66/97/561896697.db2.gz MOCDNRUXWFCOPP-LJQANCHMSA-N 1 2 370.449 2.270 20 30 FEEDLO C=C(C)C[N@@H+](CC(=O)NC[C@H]1Cc2ccccc2O1)Cc1ccc(CO)o1 ZINC000512227992 561896698 /nfs/dbraw/zinc/89/66/98/561896698.db2.gz MOCDNRUXWFCOPP-LJQANCHMSA-N 1 2 370.449 2.270 20 30 FEEDLO N#Cc1c(F)cccc1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000364478554 555321100 /nfs/dbraw/zinc/32/11/00/555321100.db2.gz WGCPYYAWUPJTHR-INIZCTEOSA-N 1 2 353.397 2.328 20 30 FEEDLO N#Cc1c(F)cccc1C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000364478554 555321101 /nfs/dbraw/zinc/32/11/01/555321101.db2.gz WGCPYYAWUPJTHR-INIZCTEOSA-N 1 2 353.397 2.328 20 30 FEEDLO Cc1ccc(NCc2c[nH+]c3ccc(C#N)cn23)cc1S(=O)(=O)N(C)C ZINC000512375653 561902491 /nfs/dbraw/zinc/90/24/91/561902491.db2.gz WBTGNQXQWHUOGF-UHFFFAOYSA-N 1 2 369.450 2.377 20 30 FEEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1Cc1ccc(C#N)cc1OC(F)F ZINC000512474333 561906833 /nfs/dbraw/zinc/90/68/33/561906833.db2.gz JHPNWAIRJJQZOC-XJKSGUPXSA-N 1 2 351.397 2.455 20 30 FEEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000512516573 561908140 /nfs/dbraw/zinc/90/81/40/561908140.db2.gz IIJNPJBLDHEUII-GOSISDBHSA-N 1 2 356.474 2.381 20 30 FEEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000512516573 561908141 /nfs/dbraw/zinc/90/81/41/561908141.db2.gz IIJNPJBLDHEUII-GOSISDBHSA-N 1 2 356.474 2.381 20 30 FEEDLO CC(C)(C#N)CNC(=O)N1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000512777757 561915047 /nfs/dbraw/zinc/91/50/47/561915047.db2.gz IILRUPBKMDQTDW-UHFFFAOYSA-N 1 2 374.876 2.365 20 30 FEEDLO N#Cc1ccc(N2CCC[C@H]([N@H+]3CCc4ccccc4[C@@H]3C(N)=O)C2=O)cc1 ZINC000365101093 555485573 /nfs/dbraw/zinc/48/55/73/555485573.db2.gz QQYOLHOSQIMUMC-VQTJNVASSA-N 1 2 374.444 2.138 20 30 FEEDLO N#Cc1ccc(N2CCC[C@H]([N@@H+]3CCc4ccccc4[C@@H]3C(N)=O)C2=O)cc1 ZINC000365101093 555485574 /nfs/dbraw/zinc/48/55/74/555485574.db2.gz QQYOLHOSQIMUMC-VQTJNVASSA-N 1 2 374.444 2.138 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)c(Cl)c1 ZINC000365222206 555515032 /nfs/dbraw/zinc/51/50/32/555515032.db2.gz PHXKYXIJPMGGOL-CQSZACIVSA-N 1 2 363.826 2.449 20 30 FEEDLO N#Cc1ccc(N2CCN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)CC2)cn1 ZINC000366191680 555777036 /nfs/dbraw/zinc/77/70/36/555777036.db2.gz NISUFBQARFOLAI-UHFFFAOYSA-N 1 2 358.405 2.101 20 30 FEEDLO CN1c2ccccc2N(C)C1=C1C(=O)CN([C@@H]2CCO[C@H]2C2CC2)C1=[NH2+] ZINC000367012980 555997373 /nfs/dbraw/zinc/99/73/73/555997373.db2.gz HKTZHEXBCRHQOZ-QAPCUYQASA-N 1 2 352.438 2.214 20 30 FEEDLO C[C@@H]([C@@H]1Cc2ccccc2O1)[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000367298239 556012017 /nfs/dbraw/zinc/01/20/17/556012017.db2.gz BRKYPMZMINIEIQ-KSSFIOAISA-N 1 2 371.462 2.051 20 30 FEEDLO C[C@@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000367298239 556012018 /nfs/dbraw/zinc/01/20/18/556012018.db2.gz BRKYPMZMINIEIQ-KSSFIOAISA-N 1 2 371.462 2.051 20 30 FEEDLO N#Cc1ccc(N2CCC(C(=O)N[C@H]3CCc4[nH+]c[nH]c4C3)CC2)c(F)c1 ZINC000367608037 556095861 /nfs/dbraw/zinc/09/58/61/556095861.db2.gz PWUDUOLDQRNGPK-HNNXBMFYSA-N 1 2 367.428 2.311 20 30 FEEDLO N#Cc1ccc(N2CCC(C(=O)N[C@H]3CCc4[nH]c[nH+]c4C3)CC2)c(F)c1 ZINC000367608037 556095865 /nfs/dbraw/zinc/09/58/65/556095865.db2.gz PWUDUOLDQRNGPK-HNNXBMFYSA-N 1 2 367.428 2.311 20 30 FEEDLO C#CCCCS(=O)(=O)NCC1CC[NH+](Cc2csc(CC)n2)CC1 ZINC000367744148 556128548 /nfs/dbraw/zinc/12/85/48/556128548.db2.gz BTHBTZFNCMXVKH-UHFFFAOYSA-N 1 2 369.556 2.250 20 30 FEEDLO N#Cc1c(NC[C@@H]2C[C@H](F)C[N@H+]2Cc2cncnc2)nc2ccccn21 ZINC000367814000 556146036 /nfs/dbraw/zinc/14/60/36/556146036.db2.gz LIZIIVADSOPZTN-GJZGRUSLSA-N 1 2 351.389 2.020 20 30 FEEDLO N#Cc1c(NC[C@@H]2C[C@H](F)C[N@@H+]2Cc2cncnc2)nc2ccccn21 ZINC000367814000 556146037 /nfs/dbraw/zinc/14/60/37/556146037.db2.gz LIZIIVADSOPZTN-GJZGRUSLSA-N 1 2 351.389 2.020 20 30 FEEDLO N#Cc1ccc(OC(F)F)c(NC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000515129925 561997348 /nfs/dbraw/zinc/99/73/48/561997348.db2.gz SEBSWSFCXSSAER-BETUJISGSA-N 1 2 366.368 2.144 20 30 FEEDLO N#Cc1ccc(OC(F)F)c(NC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000515129925 561997349 /nfs/dbraw/zinc/99/73/49/561997349.db2.gz SEBSWSFCXSSAER-BETUJISGSA-N 1 2 366.368 2.144 20 30 FEEDLO Cc1nc(C(C)C)ccc1Cn1cc(C[NH+]2CCOCC2)cc(C#N)c1=O ZINC000515172078 561999025 /nfs/dbraw/zinc/99/90/25/561999025.db2.gz ZWOQGULWANEAIV-UHFFFAOYSA-N 1 2 366.465 2.427 20 30 FEEDLO C[C@H]([NH2+]CC(=O)N[C@](C)(C#N)C1CC1)c1nc(-c2ccc(F)cc2)no1 ZINC000368323612 556278189 /nfs/dbraw/zinc/27/81/89/556278189.db2.gz HXTAGKDQFYOYOQ-BBATYDOGSA-N 1 2 357.389 2.335 20 30 FEEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000368454779 556314898 /nfs/dbraw/zinc/31/48/98/556314898.db2.gz MCPHVCGLGUSBTL-CYBMUJFWSA-N 1 2 370.844 2.402 20 30 FEEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000368454779 556314900 /nfs/dbraw/zinc/31/49/00/556314900.db2.gz MCPHVCGLGUSBTL-CYBMUJFWSA-N 1 2 370.844 2.402 20 30 FEEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000368467017 556318314 /nfs/dbraw/zinc/31/83/14/556318314.db2.gz UHMCLSKTXDCBPR-NONVJHHQSA-N 1 2 372.444 2.047 20 30 FEEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000368467017 556318318 /nfs/dbraw/zinc/31/83/18/556318318.db2.gz UHMCLSKTXDCBPR-NONVJHHQSA-N 1 2 372.444 2.047 20 30 FEEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CCC[C@H](N3CCCCC3=O)C2)C1=O ZINC000368542518 556340451 /nfs/dbraw/zinc/34/04/51/556340451.db2.gz GWZZQBSGVZWDBR-HOTGVXAUSA-N 1 2 372.494 2.202 20 30 FEEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CCC[C@H](N3CCCCC3=O)C2)C1=O ZINC000368542518 556340453 /nfs/dbraw/zinc/34/04/53/556340453.db2.gz GWZZQBSGVZWDBR-HOTGVXAUSA-N 1 2 372.494 2.202 20 30 FEEDLO Cc1noc(C)c1CO[C@@H]1CC[N@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000368836417 556425745 /nfs/dbraw/zinc/42/57/45/556425745.db2.gz VWYGQCPOCAXBPF-QGZVFWFLSA-N 1 2 354.410 2.393 20 30 FEEDLO Cc1noc(C)c1CO[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000368836417 556425748 /nfs/dbraw/zinc/42/57/48/556425748.db2.gz VWYGQCPOCAXBPF-QGZVFWFLSA-N 1 2 354.410 2.393 20 30 FEEDLO Cc1nc(CO[C@@H]2CC[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)C2)cs1 ZINC000369011511 556476013 /nfs/dbraw/zinc/47/60/13/556476013.db2.gz RUSRJIVPCQFCMQ-NVXWUHKLSA-N 1 2 350.488 2.097 20 30 FEEDLO Cc1nc(CO[C@@H]2CC[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)C2)cs1 ZINC000369011511 556476016 /nfs/dbraw/zinc/47/60/16/556476016.db2.gz RUSRJIVPCQFCMQ-NVXWUHKLSA-N 1 2 350.488 2.097 20 30 FEEDLO Cc1cc(S(=O)(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)ccc1C#N ZINC000369678388 556666322 /nfs/dbraw/zinc/66/63/22/556666322.db2.gz CKNJBYZLUWGHMW-UHFFFAOYSA-N 1 2 359.455 2.131 20 30 FEEDLO Cc1oc(NC(=O)[C@H](C)[NH+]2CCC(CN3CCCC3=O)CC2)c(C#N)c1C ZINC000369811359 556701745 /nfs/dbraw/zinc/70/17/45/556701745.db2.gz QMZDAQFSEIETLU-AWEZNQCLSA-N 1 2 372.469 2.430 20 30 FEEDLO N#Cc1ncn(C2CC[NH+](Cc3nc(Cc4cccc(F)c4)no3)CC2)n1 ZINC000370129962 556788804 /nfs/dbraw/zinc/78/88/04/556788804.db2.gz FWXSQZCFLDQSEI-UHFFFAOYSA-N 1 2 367.388 2.100 20 30 FEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(C)=O ZINC000370234753 556818379 /nfs/dbraw/zinc/81/83/79/556818379.db2.gz ADCNDVYVPXEZDO-OTWHNJEPSA-N 1 2 355.438 2.248 20 30 FEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(C)=O ZINC000370234753 556818380 /nfs/dbraw/zinc/81/83/80/556818380.db2.gz ADCNDVYVPXEZDO-OTWHNJEPSA-N 1 2 355.438 2.248 20 30 FEEDLO C=CCN1C(=O)N([C@@H]2CCn3cc[nH+]c3C2)C(=O)[C@@H]1Cc1ccccc1 ZINC000516860390 562061063 /nfs/dbraw/zinc/06/10/63/562061063.db2.gz CZAUUBGVPUYHFM-SJORKVTESA-N 1 2 350.422 2.259 20 30 FEEDLO COc1cccc(NC(=O)C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000370729554 556951775 /nfs/dbraw/zinc/95/17/75/556951775.db2.gz JGOPAZMOWIOOJU-KRWDZBQOSA-N 1 2 352.394 2.054 20 30 FEEDLO COc1cccc(NC(=O)C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000370729554 556951777 /nfs/dbraw/zinc/95/17/77/556951777.db2.gz JGOPAZMOWIOOJU-KRWDZBQOSA-N 1 2 352.394 2.054 20 30 FEEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1)CCC2 ZINC000370954129 557026535 /nfs/dbraw/zinc/02/65/35/557026535.db2.gz QURBOWKGCCPBTI-CYBMUJFWSA-N 1 2 371.828 2.349 20 30 FEEDLO Cc1cc(NC(=O)N2CCCN(c3ncccc3C#N)CC2)c(C)c[nH+]1 ZINC000371320421 557145147 /nfs/dbraw/zinc/14/51/47/557145147.db2.gz CVALOHHLVQFOOK-UHFFFAOYSA-N 1 2 350.426 2.131 20 30 FEEDLO C=CCN(Cc1nc2c(s1)C[N@@H+](C(C)C)CC2)[C@@H]1CCS(=O)(=O)C1 ZINC000371577318 557227939 /nfs/dbraw/zinc/22/79/39/557227939.db2.gz FIKPVLMZFULQQW-CQSZACIVSA-N 1 2 369.556 2.085 20 30 FEEDLO C=CCN(Cc1nc2c(s1)C[N@H+](C(C)C)CC2)[C@@H]1CCS(=O)(=O)C1 ZINC000371577318 557227935 /nfs/dbraw/zinc/22/79/35/557227935.db2.gz FIKPVLMZFULQQW-CQSZACIVSA-N 1 2 369.556 2.085 20 30 FEEDLO C=CCOCCNC(=O)N1CCC[N@@H+](Cc2csc(CC)n2)CC1 ZINC000371641562 557247739 /nfs/dbraw/zinc/24/77/39/557247739.db2.gz HHDVRSCECUPVPM-UHFFFAOYSA-N 1 2 352.504 2.125 20 30 FEEDLO C=CCOCCNC(=O)N1CCC[N@H+](Cc2csc(CC)n2)CC1 ZINC000371641562 557247741 /nfs/dbraw/zinc/24/77/41/557247741.db2.gz HHDVRSCECUPVPM-UHFFFAOYSA-N 1 2 352.504 2.125 20 30 FEEDLO N#C[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(F)cc2F)C[C@]12C(=O)Nc1ccccc12 ZINC000372229194 557416316 /nfs/dbraw/zinc/41/63/16/557416316.db2.gz UHDVVKHPEIZGPI-LIUKBUMOSA-N 1 2 369.371 2.344 20 30 FEEDLO N#C[C@@H]1C[N@H+](C[C@@H](O)c2ccc(F)cc2F)C[C@]12C(=O)Nc1ccccc12 ZINC000372229194 557416319 /nfs/dbraw/zinc/41/63/19/557416319.db2.gz UHDVVKHPEIZGPI-LIUKBUMOSA-N 1 2 369.371 2.344 20 30 FEEDLO C=CCN(C(=O)CS(=O)(=O)CCC)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000372598277 557516687 /nfs/dbraw/zinc/51/66/87/557516687.db2.gz DTCRJQDOUSPSGS-GOSISDBHSA-N 1 2 364.511 2.100 20 30 FEEDLO C=CCN(C(=O)CS(=O)(=O)CCC)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000372598277 557516692 /nfs/dbraw/zinc/51/66/92/557516692.db2.gz DTCRJQDOUSPSGS-GOSISDBHSA-N 1 2 364.511 2.100 20 30 FEEDLO N#Cc1cccc([C@H]2CN(c3cc(N4CCSCC4)[nH+]cn3)CCO2)c1 ZINC000372965107 557598433 /nfs/dbraw/zinc/59/84/33/557598433.db2.gz JVBASBRALYJFHG-QGZVFWFLSA-N 1 2 367.478 2.479 20 30 FEEDLO N#Cc1cccc([C@H]2CN(c3cc(N4CCSCC4)nc[nH+]3)CCO2)c1 ZINC000372965107 557598435 /nfs/dbraw/zinc/59/84/35/557598435.db2.gz JVBASBRALYJFHG-QGZVFWFLSA-N 1 2 367.478 2.479 20 30 FEEDLO Cn1c(Cl)cnc1C[N@@H+]1CCCN(c2nc3ccccn3c2C#N)CC1 ZINC000373298500 557668252 /nfs/dbraw/zinc/66/82/52/557668252.db2.gz AWODFKDERXAXLG-UHFFFAOYSA-N 1 2 369.860 2.305 20 30 FEEDLO Cn1c(Cl)cnc1C[N@H+]1CCCN(c2nc3ccccn3c2C#N)CC1 ZINC000373298500 557668255 /nfs/dbraw/zinc/66/82/55/557668255.db2.gz AWODFKDERXAXLG-UHFFFAOYSA-N 1 2 369.860 2.305 20 30 FEEDLO N#Cc1ccc(CNC(=O)C[NH+]2CCN(c3ccc(Cl)cn3)CC2)cc1 ZINC000520168768 562149821 /nfs/dbraw/zinc/14/98/21/562149821.db2.gz VMKSNOOHOBWAHJ-UHFFFAOYSA-N 1 2 369.856 2.045 20 30 FEEDLO CC(C)NC(=O)C[N@@H+]1CCCN(C(=O)C[C@H](CC#N)c2ccccc2)CC1 ZINC000373849701 557772537 /nfs/dbraw/zinc/77/25/37/557772537.db2.gz HWDIEGZWQVRJII-IBGZPJMESA-N 1 2 370.497 2.133 20 30 FEEDLO CC(C)NC(=O)C[N@H+]1CCCN(C(=O)C[C@H](CC#N)c2ccccc2)CC1 ZINC000373849701 557772538 /nfs/dbraw/zinc/77/25/38/557772538.db2.gz HWDIEGZWQVRJII-IBGZPJMESA-N 1 2 370.497 2.133 20 30 FEEDLO Cc1noc(CSc2ccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc2)n1 ZINC000520820080 562164524 /nfs/dbraw/zinc/16/45/24/562164524.db2.gz XBRMHEQETXHFJR-KRWDZBQOSA-N 1 2 359.455 2.244 20 30 FEEDLO CC(C)CCOCCNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000520902537 562165901 /nfs/dbraw/zinc/16/59/01/562165901.db2.gz GIDCILGIXPWHAQ-UHFFFAOYSA-N 1 2 358.486 2.448 20 30 FEEDLO N#CC1(c2ccccn2)CCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000374314509 557863904 /nfs/dbraw/zinc/86/39/04/557863904.db2.gz SMNZSOCGLLWQLR-GOSISDBHSA-N 1 2 368.481 2.109 20 30 FEEDLO N#CC1(c2ccccn2)CCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000374314509 557863905 /nfs/dbraw/zinc/86/39/05/557863905.db2.gz SMNZSOCGLLWQLR-GOSISDBHSA-N 1 2 368.481 2.109 20 30 FEEDLO C=CCc1ccc(OCC(=O)N2CC[NH2+][C@H](c3cccnc3)C2)c(OC)c1 ZINC000374383848 557875817 /nfs/dbraw/zinc/87/58/17/557875817.db2.gz GPAFAMBFEDUHAZ-SFHVURJKSA-N 1 2 367.449 2.371 20 30 FEEDLO COc1ccc2c(c1)CC[N@@H+](CCS(=O)(=O)c1cccc(C#N)c1)CC2 ZINC000374387710 557876761 /nfs/dbraw/zinc/87/67/61/557876761.db2.gz QLBMBKDITGNGAJ-UHFFFAOYSA-N 1 2 370.474 2.441 20 30 FEEDLO COc1ccc2c(c1)CC[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)CC2 ZINC000374387710 557876763 /nfs/dbraw/zinc/87/67/63/557876763.db2.gz QLBMBKDITGNGAJ-UHFFFAOYSA-N 1 2 370.474 2.441 20 30 FEEDLO COc1ccc2c(c1)OCC[N@@H+](CC(=O)NCc1cccc(C#N)c1)C2 ZINC000374782482 557930917 /nfs/dbraw/zinc/93/09/17/557930917.db2.gz XVNBKFHULZDGOV-UHFFFAOYSA-N 1 2 351.406 2.078 20 30 FEEDLO COc1ccc2c(c1)OCC[N@H+](CC(=O)NCc1cccc(C#N)c1)C2 ZINC000374782482 557930919 /nfs/dbraw/zinc/93/09/19/557930919.db2.gz XVNBKFHULZDGOV-UHFFFAOYSA-N 1 2 351.406 2.078 20 30 FEEDLO C[N@@H+]1CCN(C2CCN(c3ccc(C#N)cc3C(F)(F)F)CC2)C(=O)C1 ZINC000374798869 557933099 /nfs/dbraw/zinc/93/30/99/557933099.db2.gz LGLNNBCHCNYMRO-UHFFFAOYSA-N 1 2 366.387 2.320 20 30 FEEDLO C[N@H+]1CCN(C2CCN(c3ccc(C#N)cc3C(F)(F)F)CC2)C(=O)C1 ZINC000374798869 557933101 /nfs/dbraw/zinc/93/31/01/557933101.db2.gz LGLNNBCHCNYMRO-UHFFFAOYSA-N 1 2 366.387 2.320 20 30 FEEDLO N#Cc1ccc(CN2CC[N@@H+](CCCO[C@H]3CCCCO3)CC2=O)cc1 ZINC000374884578 557945692 /nfs/dbraw/zinc/94/56/92/557945692.db2.gz ZCEWHPGBRXRBFJ-FQEVSTJZSA-N 1 2 357.454 2.136 20 30 FEEDLO N#Cc1ccc(CN2CC[N@H+](CCCO[C@H]3CCCCO3)CC2=O)cc1 ZINC000374884578 557945694 /nfs/dbraw/zinc/94/56/94/557945694.db2.gz ZCEWHPGBRXRBFJ-FQEVSTJZSA-N 1 2 357.454 2.136 20 30 FEEDLO C#CCNC(=O)c1ccccc1NC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000375431992 558026386 /nfs/dbraw/zinc/02/63/86/558026386.db2.gz VVHVHUBKDAMFIC-NVXWUHKLSA-N 1 2 362.433 2.156 20 30 FEEDLO CS(=O)(=O)Nc1c[nH]nc1[C@H]1CCC[N@H+](CC#Cc2ccccc2)C1 ZINC000375457839 558030571 /nfs/dbraw/zinc/03/05/71/558030571.db2.gz NPTJTTFDLJMZKH-INIZCTEOSA-N 1 2 358.467 2.012 20 30 FEEDLO CS(=O)(=O)Nc1c[nH]nc1[C@H]1CCC[N@@H+](CC#Cc2ccccc2)C1 ZINC000375457839 558030573 /nfs/dbraw/zinc/03/05/73/558030573.db2.gz NPTJTTFDLJMZKH-INIZCTEOSA-N 1 2 358.467 2.012 20 30 FEEDLO N#Cc1ccc(OC2CC[NH+](Cc3cc(=O)n4[nH]ccc4n3)CC2)c(F)c1 ZINC000375756524 558077636 /nfs/dbraw/zinc/07/76/36/558077636.db2.gz WSDKEVCDJRDMAA-UHFFFAOYSA-N 1 2 367.384 2.077 20 30 FEEDLO N#Cc1ncn(C2CC[NH+]([C@@H]3CCN(c4ccccc4Cl)C3=O)CC2)n1 ZINC000375927474 558100872 /nfs/dbraw/zinc/10/08/72/558100872.db2.gz MGEWIBUQBCMWHS-MRXNPFEDSA-N 1 2 370.844 2.246 20 30 FEEDLO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000376187288 558138443 /nfs/dbraw/zinc/13/84/43/558138443.db2.gz LGXFCKQTTGHPCC-HQRMLTQVSA-N 1 2 371.481 2.283 20 30 FEEDLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)c1ccc(C#Cc2ccccc2)cc1 ZINC000521667516 562181907 /nfs/dbraw/zinc/18/19/07/562181907.db2.gz ODUFKGZEEDEOLK-LJQANCHMSA-N 1 2 361.489 2.452 20 30 FEEDLO C=CC[C@@H](C)NC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000376312508 558156386 /nfs/dbraw/zinc/15/63/86/558156386.db2.gz ZXCSUGLJJJUDOS-HZPDHXFCSA-N 1 2 366.506 2.288 20 30 FEEDLO C#CCCCS(=O)(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000376328863 558158603 /nfs/dbraw/zinc/15/86/03/558158603.db2.gz WMLPGDMVAOBVJX-IRXDYDNUSA-N 1 2 370.902 2.045 20 30 FEEDLO C#CCCCS(=O)(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000376328863 558158605 /nfs/dbraw/zinc/15/86/05/558158605.db2.gz WMLPGDMVAOBVJX-IRXDYDNUSA-N 1 2 370.902 2.045 20 30 FEEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)C1 ZINC000376397796 558167843 /nfs/dbraw/zinc/16/78/43/558167843.db2.gz TVDNSQZDAWZKGL-HZPDHXFCSA-N 1 2 367.428 2.273 20 30 FEEDLO CC1=C(c2ccco2)C[N@H+](CCS(=O)(=O)c2ccc(C#N)cn2)CC1 ZINC000377526938 558358106 /nfs/dbraw/zinc/35/81/06/558358106.db2.gz XPINXFUIWGRBCK-UHFFFAOYSA-N 1 2 357.435 2.499 20 30 FEEDLO CC1=C(c2ccco2)C[N@@H+](CCS(=O)(=O)c2ccc(C#N)cn2)CC1 ZINC000377526938 558358108 /nfs/dbraw/zinc/35/81/08/558358108.db2.gz XPINXFUIWGRBCK-UHFFFAOYSA-N 1 2 357.435 2.499 20 30 FEEDLO COC(=O)C[C@H]1COCC[N@@H+]1Cc1cccn1Cc1ccccc1C#N ZINC000377863161 558437218 /nfs/dbraw/zinc/43/72/18/558437218.db2.gz CTXRATNUZPHTAG-IBGZPJMESA-N 1 2 353.422 2.172 20 30 FEEDLO COC(=O)C[C@H]1COCC[N@H+]1Cc1cccn1Cc1ccccc1C#N ZINC000377863161 558437219 /nfs/dbraw/zinc/43/72/19/558437219.db2.gz CTXRATNUZPHTAG-IBGZPJMESA-N 1 2 353.422 2.172 20 30 FEEDLO N#Cc1ccc(N2CCN(C(=O)NCCCCn3cc[nH+]c3)CC2)c(F)c1 ZINC000523488360 562214160 /nfs/dbraw/zinc/21/41/60/562214160.db2.gz VSAMDQWKPMLPFC-UHFFFAOYSA-N 1 2 370.432 2.206 20 30 FEEDLO C=CCN1CC[C@@H](N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)C1=O ZINC000410314611 558751217 /nfs/dbraw/zinc/75/12/17/558751217.db2.gz BXDBEWAKMLTIDV-GOSISDBHSA-N 1 2 363.889 2.123 20 30 FEEDLO C=CCN1CC[C@@H]([NH+]2CCN(CCOc3ccc(Cl)cc3)CC2)C1=O ZINC000410314611 558751218 /nfs/dbraw/zinc/75/12/18/558751218.db2.gz BXDBEWAKMLTIDV-GOSISDBHSA-N 1 2 363.889 2.123 20 30 FEEDLO CC(C)CCn1cc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)nn1 ZINC000524851073 562236054 /nfs/dbraw/zinc/23/60/54/562236054.db2.gz MKBCVVKLJLHLIJ-UHFFFAOYSA-N 1 2 366.469 2.154 20 30 FEEDLO Cn1c2ccc(C[NH+]3CCN(c4cc(C#N)ccn4)CC3)cc2sc1=O ZINC000525977002 562261995 /nfs/dbraw/zinc/26/19/95/562261995.db2.gz XISTTWJUZNADMF-UHFFFAOYSA-N 1 2 365.462 2.189 20 30 FEEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2C[C@H](O)C[C@H]2c2ccccc2)c1 ZINC000411956017 558994788 /nfs/dbraw/zinc/99/47/88/558994788.db2.gz VUTBSTRFNHFPEX-MJGOQNOKSA-N 1 2 356.447 2.140 20 30 FEEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2C[C@H](O)C[C@H]2c2ccccc2)c1 ZINC000411956017 558994790 /nfs/dbraw/zinc/99/47/90/558994790.db2.gz VUTBSTRFNHFPEX-MJGOQNOKSA-N 1 2 356.447 2.140 20 30 FEEDLO COc1ccccc1C[N@@H+](CC(=O)NC1(C#N)CCC1)C[C@H]1CCCO1 ZINC000526135570 562267965 /nfs/dbraw/zinc/26/79/65/562267965.db2.gz LRZAIXCMJMIFNF-QGZVFWFLSA-N 1 2 357.454 2.239 20 30 FEEDLO COc1ccccc1C[N@H+](CC(=O)NC1(C#N)CCC1)C[C@H]1CCCO1 ZINC000526135570 562267966 /nfs/dbraw/zinc/26/79/66/562267966.db2.gz LRZAIXCMJMIFNF-QGZVFWFLSA-N 1 2 357.454 2.239 20 30 FEEDLO C=CC[C@H](Cc1ccccc1)NC(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000413827126 559133042 /nfs/dbraw/zinc/13/30/42/559133042.db2.gz RGDOGDRVTWPPBN-HXUWFJFHSA-N 1 2 367.497 2.435 20 30 FEEDLO Cc1nnc(SC[C@H](O)C[N@H+](C)CCC#N)n1CCc1cccs1 ZINC000414159285 559151016 /nfs/dbraw/zinc/15/10/16/559151016.db2.gz YHTDGSFIQNRDLJ-CQSZACIVSA-N 1 2 365.528 2.189 20 30 FEEDLO Cc1nnc(SC[C@H](O)C[N@@H+](C)CCC#N)n1CCc1cccs1 ZINC000414159285 559151018 /nfs/dbraw/zinc/15/10/18/559151018.db2.gz YHTDGSFIQNRDLJ-CQSZACIVSA-N 1 2 365.528 2.189 20 30 FEEDLO C[N@H+](CCC#N)C[C@@H](O)CSc1n[nH]c(-c2cc(F)cc(F)c2)n1 ZINC000414155073 559151064 /nfs/dbraw/zinc/15/10/64/559151064.db2.gz SQYAHXMFBGTYHC-CYBMUJFWSA-N 1 2 353.398 2.048 20 30 FEEDLO C[N@@H+](CCC#N)C[C@@H](O)CSc1n[nH]c(-c2cc(F)cc(F)c2)n1 ZINC000414155073 559151065 /nfs/dbraw/zinc/15/10/65/559151065.db2.gz SQYAHXMFBGTYHC-CYBMUJFWSA-N 1 2 353.398 2.048 20 30 FEEDLO C[C@H]([NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000419313948 559436557 /nfs/dbraw/zinc/43/65/57/559436557.db2.gz TVBSLWILFBMORC-CKFHNAJUSA-N 1 2 362.433 2.041 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@@H](CC(F)(F)F)C2)nc1 ZINC000420938495 559512808 /nfs/dbraw/zinc/51/28/08/559512808.db2.gz AXKNMUGCUVHQIZ-LBPRGKRZSA-N 1 2 361.389 2.391 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H](CC(F)(F)F)C2)nc1 ZINC000420938495 559512809 /nfs/dbraw/zinc/51/28/09/559512809.db2.gz AXKNMUGCUVHQIZ-LBPRGKRZSA-N 1 2 361.389 2.391 20 30 FEEDLO Cc1cc(CNC(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)cc(C)[nH+]1 ZINC000421249349 559533421 /nfs/dbraw/zinc/53/34/21/559533421.db2.gz MEDBWXFXTCKWEW-UHFFFAOYSA-N 1 2 353.426 2.382 20 30 FEEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+](C)[C@H]1CCCN(c2ccccc2)C1=O ZINC000527298319 562284389 /nfs/dbraw/zinc/28/43/89/562284389.db2.gz ASOVSZGKWMNKMK-RDJZCZTQSA-N 1 2 354.454 2.065 20 30 FEEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)[C@H]1CCCN(c2ccccc2)C1=O ZINC000527298319 562284390 /nfs/dbraw/zinc/28/43/90/562284390.db2.gz ASOVSZGKWMNKMK-RDJZCZTQSA-N 1 2 354.454 2.065 20 30 FEEDLO C=C(C)Cn1c([C@H]2CCCS2)nnc1N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000424242196 559659021 /nfs/dbraw/zinc/65/90/21/559659021.db2.gz JIQCWESMAYYMPD-JKSUJKDBSA-N 1 2 363.531 2.333 20 30 FEEDLO C=CCCn1cc(C(=O)Nc2ccc3c(c2)[nH+]c(C)n3[C@H](C)CO)nn1 ZINC000424865523 559678768 /nfs/dbraw/zinc/67/87/68/559678768.db2.gz MVEKAGGVYLGAAH-GFCCVEGCSA-N 1 2 354.414 2.318 20 30 FEEDLO Cc1cc(NCc2cccc(OCC[NH+]3CCOCC3)c2)c(C#N)cn1 ZINC000425217235 559691875 /nfs/dbraw/zinc/69/18/75/559691875.db2.gz UEQPMDRPFJCOLS-UHFFFAOYSA-N 1 2 352.438 2.007 20 30 FEEDLO Cc1cc(NCCNS(=O)(=O)c2ccc(Cl)cc2C)c(C#N)c[nH+]1 ZINC000425258774 559693742 /nfs/dbraw/zinc/69/37/42/559693742.db2.gz WVUIQHSOEYPMMD-UHFFFAOYSA-N 1 2 364.858 2.036 20 30 FEEDLO N#Cc1c2c(cnc1N(CC[NH+]1CCOCC1)Cc1ccco1)CCC2 ZINC000425256847 559693822 /nfs/dbraw/zinc/69/38/22/559693822.db2.gz BYEISMVNBUVXAC-UHFFFAOYSA-N 1 2 352.438 2.374 20 30 FEEDLO N#Cc1ccc([C@@H]([NH2+][C@@H]2CCN(c3cccc(Cl)c3)C2=O)C(N)=O)cc1 ZINC000426175659 559731017 /nfs/dbraw/zinc/73/10/17/559731017.db2.gz IUPAPQZSOVLRHS-IAGOWNOFSA-N 1 2 368.824 2.133 20 30 FEEDLO N#Cc1cnc(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c(Cl)c1 ZINC000427924273 559765265 /nfs/dbraw/zinc/76/52/65/559765265.db2.gz QALXHVSORJNJON-MRXNPFEDSA-N 1 2 370.840 2.237 20 30 FEEDLO N#Cc1cnc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c(Cl)c1 ZINC000427924273 559765266 /nfs/dbraw/zinc/76/52/66/559765266.db2.gz QALXHVSORJNJON-MRXNPFEDSA-N 1 2 370.840 2.237 20 30 FEEDLO CC1CC[NH+](Cc2csc(NC(=O)CN(CCC#N)CCC#N)n2)CC1 ZINC000428301810 559773035 /nfs/dbraw/zinc/77/30/35/559773035.db2.gz DSZXICBUENFPLA-UHFFFAOYSA-N 1 2 374.514 2.443 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cnc(-c3ccccc3OC)nc2)C1=O ZINC000430078711 559812610 /nfs/dbraw/zinc/81/26/10/559812610.db2.gz KHDLUXIKFCWIAX-KRWDZBQOSA-N 1 2 352.438 2.371 20 30 FEEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cnc(-c3ccccc3OC)nc2)C1=O ZINC000430078711 559812611 /nfs/dbraw/zinc/81/26/11/559812611.db2.gz KHDLUXIKFCWIAX-KRWDZBQOSA-N 1 2 352.438 2.371 20 30 FEEDLO Cc1cccc([C@@H](CNC(=O)NCC2(CC#N)CC2)[NH+]2CCOCC2)c1 ZINC000430187315 559815098 /nfs/dbraw/zinc/81/50/98/559815098.db2.gz OROPVPARKBQASV-GOSISDBHSA-N 1 2 356.470 2.361 20 30 FEEDLO CCc1nc(C)c(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)s1 ZINC000432635597 559862260 /nfs/dbraw/zinc/86/22/60/559862260.db2.gz WRXQZQXTUKWZSK-UHFFFAOYSA-N 1 2 351.476 2.094 20 30 FEEDLO C[C@@H]([NH2+]CC(=O)NCc1cccc(C#N)c1)c1ncc(Br)cn1 ZINC000432983862 559869301 /nfs/dbraw/zinc/86/93/01/559869301.db2.gz KPSAQBUQNWZJOY-LLVKDONJSA-N 1 2 374.242 2.078 20 30 FEEDLO O=S1(=O)CCCN1[C@H]1CCC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC000434756267 559908626 /nfs/dbraw/zinc/90/86/26/559908626.db2.gz YXPBSAOEBAMGNS-INIZCTEOSA-N 1 2 352.887 2.191 20 30 FEEDLO O=S1(=O)CCCN1[C@H]1CCC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC000434756267 559908627 /nfs/dbraw/zinc/90/86/27/559908627.db2.gz YXPBSAOEBAMGNS-INIZCTEOSA-N 1 2 352.887 2.191 20 30 FEEDLO N#Cc1ccc(C[N@H+](C2CC2)[C@@H]2CCS(=O)(=O)C2)c(OC(F)F)c1 ZINC000437147047 559960923 /nfs/dbraw/zinc/96/09/23/559960923.db2.gz LQPIYUUWUAPRKR-CQSZACIVSA-N 1 2 356.394 2.311 20 30 FEEDLO N#Cc1ccc(C[N@@H+](C2CC2)[C@@H]2CCS(=O)(=O)C2)c(OC(F)F)c1 ZINC000437147047 559960924 /nfs/dbraw/zinc/96/09/24/559960924.db2.gz LQPIYUUWUAPRKR-CQSZACIVSA-N 1 2 356.394 2.311 20 30 FEEDLO C=CCSCCNC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000437633797 559967061 /nfs/dbraw/zinc/96/70/61/559967061.db2.gz FNGNIYAQQDNTNB-MSOLQXFVSA-N 1 2 361.511 2.200 20 30 FEEDLO C=CCSCCNC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000437633797 559967062 /nfs/dbraw/zinc/96/70/62/559967062.db2.gz FNGNIYAQQDNTNB-MSOLQXFVSA-N 1 2 361.511 2.200 20 30 FEEDLO N#Cc1nc(NCc2ccc(N3CCOCC3)[nH+]c2)ccc1C(F)(F)F ZINC000443436388 560083997 /nfs/dbraw/zinc/08/39/97/560083997.db2.gz MELOOCHVFCDAHS-UHFFFAOYSA-N 1 2 363.343 2.816 20 30 FEEDLO COc1ccccc1[C@@H](CNS(=O)(=O)c1ccc(C#N)c(C)c1)[NH+](C)C ZINC000443963366 560097627 /nfs/dbraw/zinc/09/76/27/560097627.db2.gz UNAKYUUJESAGQC-GOSISDBHSA-N 1 2 373.478 2.457 20 30 FEEDLO N#Cc1ccc(C2(C(=O)Nc3ccc4c(c3)C[N@H+](CC(N)=O)CC4)CC2)cc1 ZINC000447677266 560166827 /nfs/dbraw/zinc/16/68/27/560166827.db2.gz FOSUIIQMSJMHEW-UHFFFAOYSA-N 1 2 374.444 2.072 20 30 FEEDLO N#Cc1ccc(C2(C(=O)Nc3ccc4c(c3)C[N@@H+](CC(N)=O)CC4)CC2)cc1 ZINC000447677266 560166828 /nfs/dbraw/zinc/16/68/28/560166828.db2.gz FOSUIIQMSJMHEW-UHFFFAOYSA-N 1 2 374.444 2.072 20 30 FEEDLO CNc1cc(N2CCC[C@H]2CNc2cccc(C#N)c2[N+](=O)[O-])nc[nH+]1 ZINC000450315310 560258203 /nfs/dbraw/zinc/25/82/03/560258203.db2.gz WVNOQEXAAJDZGX-ZDUSSCGKSA-N 1 2 353.386 2.379 20 30 FEEDLO CNc1cc(N2CCC[C@H]2CNc2cccc(C#N)c2[N+](=O)[O-])[nH+]cn1 ZINC000450315310 560258204 /nfs/dbraw/zinc/25/82/04/560258204.db2.gz WVNOQEXAAJDZGX-ZDUSSCGKSA-N 1 2 353.386 2.379 20 30 FEEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCCC[C@H]1C(=O)NCC(F)F ZINC000451795240 560328826 /nfs/dbraw/zinc/32/88/26/560328826.db2.gz IGQHHQCUTIPRND-AWEZNQCLSA-N 1 2 367.396 2.181 20 30 FEEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCCC[C@H]1C(=O)NCC(F)F ZINC000451795240 560328827 /nfs/dbraw/zinc/32/88/27/560328827.db2.gz IGQHHQCUTIPRND-AWEZNQCLSA-N 1 2 367.396 2.181 20 30 FEEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000451918518 560337294 /nfs/dbraw/zinc/33/72/94/560337294.db2.gz YKBLAPDMHYOETC-IINYFYTJSA-N 1 2 361.751 2.395 20 30 FEEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000451918518 560337295 /nfs/dbraw/zinc/33/72/95/560337295.db2.gz YKBLAPDMHYOETC-IINYFYTJSA-N 1 2 361.751 2.395 20 30 FEEDLO Cc1cc(C#N)cc(NC(=O)C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000453659954 560394298 /nfs/dbraw/zinc/39/42/98/560394298.db2.gz DYUBCMDNVBJZGB-YOEHRIQHSA-N 1 2 351.410 2.111 20 30 FEEDLO Cn1cc[nH+]c1CN1CCN(C(=O)Nc2ccc(CC#N)cc2Cl)CC1 ZINC000455707439 560492446 /nfs/dbraw/zinc/49/24/46/560492446.db2.gz RIWCWWNNLYAXDK-UHFFFAOYSA-N 1 2 372.860 2.489 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)[C@@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000456259551 560513572 /nfs/dbraw/zinc/51/35/72/560513572.db2.gz HCMONTQNEKYCDS-LZQZEXGQSA-N 1 2 361.461 2.186 20 30 FEEDLO Cc1cc(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)[nH+]c2)ncc1C#N ZINC000457472186 560569026 /nfs/dbraw/zinc/56/90/26/560569026.db2.gz ZNIIDEBOIPAORN-GJZGRUSLSA-N 1 2 365.437 2.200 20 30 FEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000457794076 560588165 /nfs/dbraw/zinc/58/81/65/560588165.db2.gz SWXHPHPMWYLKIJ-WOZUAGRISA-N 1 2 370.493 2.470 20 30 FEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000457794076 560588167 /nfs/dbraw/zinc/58/81/67/560588167.db2.gz SWXHPHPMWYLKIJ-WOZUAGRISA-N 1 2 370.493 2.470 20 30 FEEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000459375251 560683013 /nfs/dbraw/zinc/68/30/13/560683013.db2.gz YPXNWNRYAWOPGU-WMLDXEAASA-N 1 2 354.410 2.442 20 30 FEEDLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)NCC(C)(C)CC#N)CC1 ZINC000459518831 560691496 /nfs/dbraw/zinc/69/14/96/560691496.db2.gz PLEAZLGKEHBYQH-UHFFFAOYSA-N 1 2 371.485 2.412 20 30 FEEDLO COC(=O)c1cccc2c1CC[N@H+](CC(=O)NC1(C#N)CCCCC1)C2 ZINC000459532342 560692392 /nfs/dbraw/zinc/69/23/92/560692392.db2.gz DLCKDXNHJMXUAF-UHFFFAOYSA-N 1 2 355.438 2.174 20 30 FEEDLO COC(=O)c1cccc2c1CC[N@@H+](CC(=O)NC1(C#N)CCCCC1)C2 ZINC000459532342 560692394 /nfs/dbraw/zinc/69/23/94/560692394.db2.gz DLCKDXNHJMXUAF-UHFFFAOYSA-N 1 2 355.438 2.174 20 30 FEEDLO COC(=O)c1cccc2c1CC[N@@H+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C2 ZINC000459540869 560692961 /nfs/dbraw/zinc/69/29/61/560692961.db2.gz RZKLTAQDTZXGJZ-XOBRGWDASA-N 1 2 357.454 2.274 20 30 FEEDLO COC(=O)c1cccc2c1CC[N@H+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C2 ZINC000459540869 560692962 /nfs/dbraw/zinc/69/29/62/560692962.db2.gz RZKLTAQDTZXGJZ-XOBRGWDASA-N 1 2 357.454 2.274 20 30 FEEDLO C[C@@H](C(=O)NCc1ccc[nH+]c1N1CCOCC1)c1cccc(C#N)c1 ZINC000461902286 560787121 /nfs/dbraw/zinc/78/71/21/560787121.db2.gz QTAANPVUEICCSZ-OAHLLOKOSA-N 1 2 350.422 2.210 20 30 FEEDLO COc1cccc(OCC[NH+]2CCN(C(=O)N[C@H]3CCC[C@@H]3C#N)CC2)c1 ZINC000461961413 560789870 /nfs/dbraw/zinc/78/98/70/560789870.db2.gz URBFNORYVYYAEI-APWZRJJASA-N 1 2 372.469 2.093 20 30 FEEDLO CCCN1C(=O)CC[C@@H](C(=O)N[C@H](C#N)C(C)(C)C)[C@@H]1c1c[nH+]cn1C ZINC000464714516 560848876 /nfs/dbraw/zinc/84/88/76/560848876.db2.gz URJNZPGJSCWZOZ-FRFSOERESA-N 1 2 359.474 2.164 20 30 FEEDLO COC(=O)C1CCN(C(=O)C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)CC1 ZINC000464819656 560852400 /nfs/dbraw/zinc/85/24/00/560852400.db2.gz TXKNKZORJQUDAA-OALUTQOASA-N 1 2 369.465 2.170 20 30 FEEDLO COC(=O)C1CCN(C(=O)C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)CC1 ZINC000464819656 560852401 /nfs/dbraw/zinc/85/24/01/560852401.db2.gz TXKNKZORJQUDAA-OALUTQOASA-N 1 2 369.465 2.170 20 30 FEEDLO COc1cccc(-c2noc([C@@H](C)[NH2+][C@@H](C)C(=O)NC3(C#N)CCC3)n2)c1 ZINC000469307846 560952144 /nfs/dbraw/zinc/95/21/44/560952144.db2.gz VPCYUHZWEXVTHZ-QWHCGFSZSA-N 1 2 369.425 2.347 20 30 FEEDLO N#C[C@H](c1cccc(Cl)c1)N1CCN(CCC[NH+]2CCOCC2)CC1 ZINC000471005673 560996209 /nfs/dbraw/zinc/99/62/09/560996209.db2.gz HRQJONLHRAFGKE-LJQANCHMSA-N 1 2 362.905 2.245 20 30 FEEDLO N#Cc1ccc(C(F)(F)F)c(NCCCCN2CC[NH+](CCO)CC2)c1 ZINC000475389476 561096091 /nfs/dbraw/zinc/09/60/91/561096091.db2.gz IRLOZWZJFDFSEM-UHFFFAOYSA-N 1 2 370.419 2.379 20 30 FEEDLO N#CC1(CS(=O)(=O)NCc2[nH+]ccn2CCc2ccccc2)CCC1 ZINC000477127251 561137350 /nfs/dbraw/zinc/13/73/50/561137350.db2.gz KUOFIEKXVNELAS-UHFFFAOYSA-N 1 2 358.467 2.239 20 30 FEEDLO O=C1c2ccccc2C(=O)N1CC#CC[N@@H+]1CCOC2(CCCCC2)C1 ZINC000528387005 562326312 /nfs/dbraw/zinc/32/63/12/562326312.db2.gz BJXPPGSHMUTQMT-UHFFFAOYSA-N 1 2 352.434 2.321 20 30 FEEDLO O=C1c2ccccc2C(=O)N1CC#CC[N@H+]1CCOC2(CCCCC2)C1 ZINC000528387005 562326313 /nfs/dbraw/zinc/32/63/13/562326313.db2.gz BJXPPGSHMUTQMT-UHFFFAOYSA-N 1 2 352.434 2.321 20 30 FEEDLO O=C1c2ccccc2C(=O)N1CC#CC[N@@H+]1CCOC[C@@H]1c1ccccc1 ZINC000528395335 562326657 /nfs/dbraw/zinc/32/66/57/562326657.db2.gz NBRRWZUWNFXLBI-HXUWFJFHSA-N 1 2 360.413 2.360 20 30 FEEDLO O=C1c2ccccc2C(=O)N1CC#CC[N@H+]1CCOC[C@@H]1c1ccccc1 ZINC000528395335 562326658 /nfs/dbraw/zinc/32/66/58/562326658.db2.gz NBRRWZUWNFXLBI-HXUWFJFHSA-N 1 2 360.413 2.360 20 30 FEEDLO N#Cc1ccccc1OC[C@@H](O)C[NH+]1CCN(c2cc(F)ccc2F)CC1 ZINC000528393526 562326717 /nfs/dbraw/zinc/32/67/17/562326717.db2.gz GCZFMSWXNVTCRL-KRWDZBQOSA-N 1 2 373.403 2.398 20 30 FEEDLO CCOC[C@@H]1C[N@@H+]([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)CCO1 ZINC000528723576 562343816 /nfs/dbraw/zinc/34/38/16/562343816.db2.gz QUZKMNGXFUBLQA-ISXWCOSWSA-N 1 2 351.491 2.043 20 30 FEEDLO CCOC[C@@H]1C[N@H+]([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)CCO1 ZINC000528723576 562343817 /nfs/dbraw/zinc/34/38/17/562343817.db2.gz QUZKMNGXFUBLQA-ISXWCOSWSA-N 1 2 351.491 2.043 20 30 FEEDLO N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCc3nc(C4CC4)ncc3C2)cc1 ZINC000528736738 562344980 /nfs/dbraw/zinc/34/49/80/562344980.db2.gz GIMBSVOQHBXBAQ-GOSISDBHSA-N 1 2 364.449 2.218 20 30 FEEDLO N#CCc1ccc(OC[C@H](O)C[N@H+]2CCc3nc(C4CC4)ncc3C2)cc1 ZINC000528736738 562344981 /nfs/dbraw/zinc/34/49/81/562344981.db2.gz GIMBSVOQHBXBAQ-GOSISDBHSA-N 1 2 364.449 2.218 20 30 FEEDLO C[C@H](C(=O)Nc1cc(CC#N)ccn1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000532180351 562470122 /nfs/dbraw/zinc/47/01/22/562470122.db2.gz RCLXCHIVLPPAKA-OAHLLOKOSA-N 1 2 367.428 2.436 20 30 FEEDLO COc1cc2c(cc1CN(CCC#N)CC[NH+]1CCOCC1)O[C@@H](C)C2 ZINC000532501589 562479595 /nfs/dbraw/zinc/47/95/95/562479595.db2.gz GSXJJJFEGAYPBP-INIZCTEOSA-N 1 2 359.470 2.066 20 30 FEEDLO CNC(=O)C1CC[NH+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)CC1 ZINC000533228968 562502242 /nfs/dbraw/zinc/50/22/42/562502242.db2.gz XLSOQASEIBIUKA-CQSZACIVSA-N 1 2 374.510 2.335 20 30 FEEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](N3CCNC3=O)C2)c(OC(F)F)c1 ZINC000533492998 562510827 /nfs/dbraw/zinc/51/08/27/562510827.db2.gz NEGAPHVBNWLCCK-AWEZNQCLSA-N 1 2 350.369 2.149 20 30 FEEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](N3CCNC3=O)C2)c(OC(F)F)c1 ZINC000533492998 562510828 /nfs/dbraw/zinc/51/08/28/562510828.db2.gz NEGAPHVBNWLCCK-AWEZNQCLSA-N 1 2 350.369 2.149 20 30 FEEDLO Cc1nc(N2CC[NH+](CC(=O)NCc3cccc(C#N)c3)CC2)sc1C ZINC000533607164 562514399 /nfs/dbraw/zinc/51/43/99/562514399.db2.gz CICWQNYBEILPFW-UHFFFAOYSA-N 1 2 369.494 2.070 20 30 FEEDLO COC(=O)c1cccc(C[NH+]2CCC([C@@H](O)C(F)(F)F)CC2)c1C#N ZINC000535207410 562553155 /nfs/dbraw/zinc/55/31/55/562553155.db2.gz RPRBDNAYZWKGSQ-OAHLLOKOSA-N 1 2 356.344 2.480 20 30 FEEDLO CCCCn1c2nc(C[NH+]3CCC(CC#N)CC3)n(CC)c2c(=O)[nH]c1=O ZINC000541024843 562600727 /nfs/dbraw/zinc/60/07/27/562600727.db2.gz SMIUFCKXILFWST-UHFFFAOYSA-N 1 2 372.473 2.244 20 30 FEEDLO Cc1cc(C#N)cnc1C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000549768521 562639435 /nfs/dbraw/zinc/63/94/35/562639435.db2.gz WFZPMLPTFZCLQK-GASCZTMLSA-N 1 2 365.437 2.200 20 30 FEEDLO Cc1cccc(N(CCC#N)C(=O)C[NH+]2C[C@H](C)N(CC#N)[C@@H](C)C2)c1C ZINC000602859200 568003246 /nfs/dbraw/zinc/00/32/46/568003246.db2.gz XFXYYAZGGHUDRI-ROUUACIJSA-N 1 2 367.497 2.468 20 30 FEEDLO COc1ccc(S(=O)(=O)N2CCC[N@H+](CC3(CC#N)CC3)CC2)cc1 ZINC000602789408 568040988 /nfs/dbraw/zinc/04/09/88/568040988.db2.gz WYKCWCASKPOZCV-UHFFFAOYSA-N 1 2 363.483 2.085 20 30 FEEDLO COc1ccc(S(=O)(=O)N2CCC[N@@H+](CC3(CC#N)CC3)CC2)cc1 ZINC000602789408 568040989 /nfs/dbraw/zinc/04/09/89/568040989.db2.gz WYKCWCASKPOZCV-UHFFFAOYSA-N 1 2 363.483 2.085 20 30 FEEDLO C=CC[N@H+](C[C@H]1CCc2ncnn21)[C@H](Cc1ccccc1)C(=O)OCC ZINC000602813099 568042632 /nfs/dbraw/zinc/04/26/32/568042632.db2.gz DUYNQWBSFNTNBV-QZTJIDSGSA-N 1 2 354.454 2.428 20 30 FEEDLO C=CC[N@@H+](C[C@H]1CCc2ncnn21)[C@H](Cc1ccccc1)C(=O)OCC ZINC000602813099 568042634 /nfs/dbraw/zinc/04/26/34/568042634.db2.gz DUYNQWBSFNTNBV-QZTJIDSGSA-N 1 2 354.454 2.428 20 30 FEEDLO Cc1ccc(NC(=O)NC(=O)[C@H](C)[NH+]2C[C@@H](C)N(CC#N)[C@H](C)C2)c(C)c1 ZINC000602859979 568049260 /nfs/dbraw/zinc/04/92/60/568049260.db2.gz ZYXLYCZVTFDKOK-ZACQAIPSSA-N 1 2 371.485 2.258 20 30 FEEDLO CN(C(=O)NC1CCN(CC#N)CC1)[C@H](c1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000603429060 568096813 /nfs/dbraw/zinc/09/68/13/568096813.db2.gz SXMYRUXBMUAQTN-KRWDZBQOSA-N 1 2 370.432 2.268 20 30 FEEDLO C=CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc3[nH+]ccn3c2)c1 ZINC000603808787 568142816 /nfs/dbraw/zinc/14/28/16/568142816.db2.gz IDFZJBGMTQNRHF-UHFFFAOYSA-N 1 2 356.407 2.051 20 30 FEEDLO Cc1nnc(NC(=O)NC[C@@H]2C[C@H](F)C[N@@H+]2Cc2cccs2)s1 ZINC000328652369 571134907 /nfs/dbraw/zinc/13/49/07/571134907.db2.gz WKJICNSPGWKJSV-QWRGUYRKSA-N 1 2 355.464 2.847 20 30 FEEDLO Cc1nnc(NC(=O)NC[C@@H]2C[C@H](F)C[N@H+]2Cc2cccs2)s1 ZINC000328652369 571134909 /nfs/dbraw/zinc/13/49/09/571134909.db2.gz WKJICNSPGWKJSV-QWRGUYRKSA-N 1 2 355.464 2.847 20 30 FEEDLO CC[C@H](C#N)Oc1cc(C[NH2+]Cc2ccc(-c3nn[nH]n3)o2)ccc1OC ZINC000820843321 599436050 /nfs/dbraw/zinc/43/60/50/599436050.db2.gz WLLZKABAQHRIBU-CYBMUJFWSA-N 1 2 368.397 2.439 20 30 FEEDLO Cc1nsc(N2CC[NH+](C[C@@H](O)c3ccc(C#N)cc3)CC2)c1C#N ZINC000810065305 674528444 /nfs/dbraw/zinc/52/84/44/674528444.db2.gz QZZMSDYFUSKSKY-QGZVFWFLSA-N 1 2 353.451 2.050 20 30 FEEDLO Cc1ccc2[nH+]cc(CN=Nc3cc(-c4nn[nH]n4)cc(Cl)n3)n2c1 ZINC000826295624 608540854 /nfs/dbraw/zinc/54/08/54/608540854.db2.gz PZZORXQTCJRWSK-UHFFFAOYSA-N 1 2 353.777 2.317 20 30 FEEDLO N#Cc1cccc([C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)s3)CCO2)c1 ZINC000826386603 608854881 /nfs/dbraw/zinc/85/48/81/608854881.db2.gz LOVCOVFWHUOHBH-OAHLLOKOSA-N 1 2 352.423 2.373 20 30 FEEDLO N#Cc1cccc([C@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)s3)CCO2)c1 ZINC000826386603 608854883 /nfs/dbraw/zinc/85/48/83/608854883.db2.gz LOVCOVFWHUOHBH-OAHLLOKOSA-N 1 2 352.423 2.373 20 30 FEEDLO CC(=[NH+]Nc1ccc(S(=O)(=O)N(C)C)cc1)c1cc(N)ccc1F ZINC000814935157 674889833 /nfs/dbraw/zinc/88/98/33/674889833.db2.gz MGGMVZCOBXQRIB-UHFFFAOYSA-N 1 2 350.419 2.494 20 30 FEEDLO C#CCNC(=O)CC[N@@H+]1CCO[C@@H](c2cccc(OC(F)(F)F)c2)C1 ZINC000815120052 674921373 /nfs/dbraw/zinc/92/13/73/674921373.db2.gz NDSGZPTVITUHLE-OAHLLOKOSA-N 1 2 356.344 2.098 20 30 FEEDLO C#CCNC(=O)CC[N@H+]1CCO[C@@H](c2cccc(OC(F)(F)F)c2)C1 ZINC000815120052 674921375 /nfs/dbraw/zinc/92/13/75/674921375.db2.gz NDSGZPTVITUHLE-OAHLLOKOSA-N 1 2 356.344 2.098 20 30 FEEDLO CC[C@@H]1[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CCN1c1snc(Cl)c1C#N ZINC001048797698 675015278 /nfs/dbraw/zinc/01/52/78/675015278.db2.gz QJYNRBCSFDXJIH-WDEREUQCSA-N 1 2 364.862 2.107 20 30 FEEDLO C#CC[NH+]1CCN(Cn2nc(-c3ccncc3)n(C3CC3)c2=S)CC1 ZINC000029436563 670099981 /nfs/dbraw/zinc/09/99/81/670099981.db2.gz HMMAVTGGHWMJBT-UHFFFAOYSA-N 1 2 354.483 2.019 20 30 FEEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1ccc2c(c1)CN(CC(F)(F)F)C2 ZINC000571076830 670812814 /nfs/dbraw/zinc/81/28/14/670812814.db2.gz XBEWYZQEUQPVGX-INIZCTEOSA-N 1 2 356.392 2.183 20 30 FEEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1ccc2c(c1)CN(CC(F)(F)F)C2 ZINC000571076830 670812819 /nfs/dbraw/zinc/81/28/19/670812819.db2.gz XBEWYZQEUQPVGX-INIZCTEOSA-N 1 2 356.392 2.183 20 30 FEEDLO N#CCC[C@H](C#N)C[NH2+]CC(=O)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000566108806 675181779 /nfs/dbraw/zinc/18/17/79/675181779.db2.gz FKEYSWPTLOYJOT-OAHLLOKOSA-N 1 2 359.861 2.022 20 30 FEEDLO N#Cc1cc(S(=O)(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)ccc1Cl ZINC000609134743 675911429 /nfs/dbraw/zinc/91/14/29/675911429.db2.gz PBQWORZEJPMWKV-CYBMUJFWSA-N 1 2 350.831 2.434 20 30 FEEDLO Cc1cc(C#N)nc(NCCc2cn3cc(Br)cc(C)c3[nH+]2)n1 ZINC000579696761 671753848 /nfs/dbraw/zinc/75/38/48/671753848.db2.gz XNPSIIIVKGONFH-UHFFFAOYSA-N 1 2 371.242 3.030 20 30 FEEDLO N#Cc1ccc(NC(=O)CC[N@@H+]2CCO[C@H](C(=O)C3CC3)C2)cc1Cl ZINC000580819617 671836826 /nfs/dbraw/zinc/83/68/26/671836826.db2.gz BQXISGXRAUPLMY-INIZCTEOSA-N 1 2 361.829 2.220 20 30 FEEDLO N#Cc1ccc(NC(=O)CC[N@H+]2CCO[C@H](C(=O)C3CC3)C2)cc1Cl ZINC000580819617 671836830 /nfs/dbraw/zinc/83/68/30/671836830.db2.gz BQXISGXRAUPLMY-INIZCTEOSA-N 1 2 361.829 2.220 20 30 FEEDLO N#Cc1nc(NC[C@]2([NH+]3CCOCC3)CCSC2)ccc1C(F)(F)F ZINC000583003596 672053582 /nfs/dbraw/zinc/05/35/82/672053582.db2.gz DDKKSYMUOJKLJY-OAHLLOKOSA-N 1 2 372.416 2.592 20 30 FEEDLO N#Cc1cc(NC(=O)C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)ccc1Cl ZINC000610533771 675978520 /nfs/dbraw/zinc/97/85/20/675978520.db2.gz NIYSKQUKAWPCOA-AWEZNQCLSA-N 1 2 357.801 2.210 20 30 FEEDLO C#CCSCCNC(=O)N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000172516433 672342442 /nfs/dbraw/zinc/34/24/42/672342442.db2.gz PWDAHABFVCCXJX-MRXNPFEDSA-N 1 2 361.511 2.450 20 30 FEEDLO CN(C)S(=O)(=O)c1ccc(C(=O)/C=C/c2cccc3[nH+]ccn32)cc1 ZINC000178943120 672397314 /nfs/dbraw/zinc/39/73/14/672397314.db2.gz WQSFRQYGNUGKKA-DHZHZOJOSA-N 1 2 355.419 2.481 20 30 FEEDLO C[N@H+](Cc1ccccc1)C1CN(S(=O)(=O)c2cccc(CC#N)c2)C1 ZINC000586773490 672433228 /nfs/dbraw/zinc/43/32/28/672433228.db2.gz AHCLTOPYVHLATP-UHFFFAOYSA-N 1 2 355.463 2.258 20 30 FEEDLO C[N@@H+](Cc1ccccc1)C1CN(S(=O)(=O)c2cccc(CC#N)c2)C1 ZINC000586773490 672433231 /nfs/dbraw/zinc/43/32/31/672433231.db2.gz AHCLTOPYVHLATP-UHFFFAOYSA-N 1 2 355.463 2.258 20 30 FEEDLO Cn1cc[nH+]c1C[C@@H](NS(=O)(=O)c1ccc(C#N)o1)c1ccccc1 ZINC000588116978 672450679 /nfs/dbraw/zinc/45/06/79/672450679.db2.gz HARSBMZQCNMUBG-OAHLLOKOSA-N 1 2 356.407 2.147 20 30 FEEDLO CC(C)(CNC(=O)C#Cc1ccc(C(F)(F)F)cc1)[NH+]1CCOCC1 ZINC000190596238 672644324 /nfs/dbraw/zinc/64/43/24/672644324.db2.gz RJWMSCWAABQQIZ-UHFFFAOYSA-N 1 2 354.372 2.284 20 30 FEEDLO C[C@H](NC(=O)C#Cc1ccc(C(F)(F)F)cc1)[C@H](C)[NH+]1CCOCC1 ZINC000191293661 672663021 /nfs/dbraw/zinc/66/30/21/672663021.db2.gz RCFKPJMMNUOCEO-KBPBESRZSA-N 1 2 354.372 2.282 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H]2COc3ccc(Cl)cc32)nc1 ZINC000591754688 672707904 /nfs/dbraw/zinc/70/79/04/672707904.db2.gz QCXXVDXVLKPFSF-CQSZACIVSA-N 1 2 363.826 2.104 20 30 FEEDLO COc1cc(C[N@@H+]2CC[C@@](O)(CC#N)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000592146296 672764150 /nfs/dbraw/zinc/76/41/50/672764150.db2.gz GZFWXUZROVJUJF-HNNXBMFYSA-N 1 2 357.313 2.055 20 30 FEEDLO COc1cc(C[N@H+]2CC[C@@](O)(CC#N)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000592146296 672764152 /nfs/dbraw/zinc/76/41/52/672764152.db2.gz GZFWXUZROVJUJF-HNNXBMFYSA-N 1 2 357.313 2.055 20 30 FEEDLO N#CC[C@@]1(O)CC[N@@H+]([C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)C1 ZINC000592152423 672764571 /nfs/dbraw/zinc/76/45/71/672764571.db2.gz XNPRCQXGIYVRQT-GOEBONIOSA-N 1 2 353.344 2.161 20 30 FEEDLO N#CC[C@@]1(O)CC[N@H+]([C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)C1 ZINC000592152423 672764573 /nfs/dbraw/zinc/76/45/73/672764573.db2.gz XNPRCQXGIYVRQT-GOEBONIOSA-N 1 2 353.344 2.161 20 30 FEEDLO C[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1ccc2c(c1)OC(F)(F)O2 ZINC000594034370 673023885 /nfs/dbraw/zinc/02/38/85/673023885.db2.gz CJXFKFHQAPRRQI-MRXNPFEDSA-N 1 2 351.353 2.248 20 30 FEEDLO C[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1ccc2c(c1)OC(F)(F)O2 ZINC000594034370 673023890 /nfs/dbraw/zinc/02/38/90/673023890.db2.gz CJXFKFHQAPRRQI-MRXNPFEDSA-N 1 2 351.353 2.248 20 30 FEEDLO CCOc1cc(C[NH2+][C@@H]2CCC[C@H]2C#N)nc2nc(C(F)(F)F)nn21 ZINC000329594648 673079714 /nfs/dbraw/zinc/07/97/14/673079714.db2.gz ORQGQLGWMNPGDY-GXSJLCMTSA-N 1 2 354.336 2.324 20 30 FEEDLO Cc1cc(S(=O)(=O)NC[C@H]2CC[N@@H+]2Cc2ccccc2)ccc1C#N ZINC000595394384 673241179 /nfs/dbraw/zinc/24/11/79/673241179.db2.gz WJIGXXKOVCQHMO-GOSISDBHSA-N 1 2 355.463 2.420 20 30 FEEDLO Cc1cc(S(=O)(=O)NC[C@H]2CC[N@H+]2Cc2ccccc2)ccc1C#N ZINC000595394384 673241180 /nfs/dbraw/zinc/24/11/80/673241180.db2.gz WJIGXXKOVCQHMO-GOSISDBHSA-N 1 2 355.463 2.420 20 30 FEEDLO COc1ccc(NC(=S)NN=C2CCN(c3cccc[nH+]3)CC2)cn1 ZINC000729640882 673242038 /nfs/dbraw/zinc/24/20/38/673242038.db2.gz MHLVONAYPKEURD-UHFFFAOYSA-N 1 2 356.455 2.428 20 30 FEEDLO CN(CCO)c1ccc(C=[NH+]NC(=S)NCc2ccc(F)cc2)cc1 ZINC000730561942 673284191 /nfs/dbraw/zinc/28/41/91/673284191.db2.gz IRDUESJHDPBZQY-UHFFFAOYSA-N 1 2 360.458 2.252 20 30 FEEDLO C[C@@](C#N)(NC(=O)C[NH2+][C@H](CO)c1cccc(Cl)c1Cl)C1CC1 ZINC000595828586 673328415 /nfs/dbraw/zinc/32/84/15/673328415.db2.gz LGUYVZNHMVRYTG-CJNGLKHVSA-N 1 2 356.253 2.425 20 30 FEEDLO N#Cc1ccc(C(=O)N(CCn2cc[nH+]c2)C2CCSCC2)cc1O ZINC000597640954 673495420 /nfs/dbraw/zinc/49/54/20/673495420.db2.gz NAFVBMQTEWOIHK-UHFFFAOYSA-N 1 2 356.451 2.498 20 30 FEEDLO COC(=O)C[C@H]1CSCC[N@@H+]1Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000740855534 673657373 /nfs/dbraw/zinc/65/73/73/673657373.db2.gz UTOMOBLBGPVTLZ-INIZCTEOSA-N 1 2 356.451 2.360 20 30 FEEDLO COC(=O)C[C@H]1CSCC[N@H+]1Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000740855534 673657374 /nfs/dbraw/zinc/65/73/74/673657374.db2.gz UTOMOBLBGPVTLZ-INIZCTEOSA-N 1 2 356.451 2.360 20 30 FEEDLO C=C[C@@H](O)C(=O)N(CCn1cc[nH+]c1)Cc1ccccc1Br ZINC000614440871 676174869 /nfs/dbraw/zinc/17/48/69/676174869.db2.gz SAIBLBMFYDHLDL-OAHLLOKOSA-N 1 2 364.243 2.221 20 30 FEEDLO CN(Cc1ccc(C#N)cc1)S(=O)(=O)c1cccc2c1CC[N@H+](C)C2 ZINC000603272125 673920507 /nfs/dbraw/zinc/92/05/07/673920507.db2.gz KLRPYGWLQHINDS-UHFFFAOYSA-N 1 2 355.463 2.367 20 30 FEEDLO CN(Cc1ccc(C#N)cc1)S(=O)(=O)c1cccc2c1CC[N@@H+](C)C2 ZINC000603272125 673920509 /nfs/dbraw/zinc/92/05/09/673920509.db2.gz KLRPYGWLQHINDS-UHFFFAOYSA-N 1 2 355.463 2.367 20 30 FEEDLO N#CC1(CS(=O)(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)CCCCC1 ZINC000548129176 673926519 /nfs/dbraw/zinc/92/65/19/673926519.db2.gz MHPLWKMERNDIJM-IAGOWNOFSA-N 1 2 369.531 2.023 20 30 FEEDLO COc1cc(F)c(Br)cc1NC[C@@H](O)C[N@H+](C)CCC#N ZINC000819492348 675294185 /nfs/dbraw/zinc/29/41/85/675294185.db2.gz CIIPSXTVFLNMHG-SNVBAGLBSA-N 1 2 360.227 2.215 20 30 FEEDLO COc1cc(F)c(Br)cc1NC[C@@H](O)C[N@@H+](C)CCC#N ZINC000819492348 675294187 /nfs/dbraw/zinc/29/41/87/675294187.db2.gz CIIPSXTVFLNMHG-SNVBAGLBSA-N 1 2 360.227 2.215 20 30 FEEDLO Cn1c2ccc(C[NH+]3CCN(c4ccsc4C#N)CC3)cc2oc1=O ZINC000826893890 675714017 /nfs/dbraw/zinc/71/40/17/675714017.db2.gz FNVPMHKRGFABNV-UHFFFAOYSA-N 1 2 354.435 2.387 20 30 FEEDLO COc1c(C)c[nH+]c(CNS(=O)(=O)Cc2ccc(F)cc2C#N)c1C ZINC000830307107 677033975 /nfs/dbraw/zinc/03/39/75/677033975.db2.gz NDPUSYKTNUAVON-UHFFFAOYSA-N 1 2 363.414 2.337 20 30 FEEDLO CC#CC[NH2+]Cc1cn(Cc2ccc(Br)c(F)c2F)nn1 ZINC000641170119 677196028 /nfs/dbraw/zinc/19/60/28/677196028.db2.gz WCSSFFLSQXRMMR-UHFFFAOYSA-N 1 2 355.186 2.480 20 30 FEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2OCCO[C@@H]2c2ccccc2)C1 ZINC001014794151 680043540 /nfs/dbraw/zinc/04/35/40/680043540.db2.gz ZNDQGLMRHURZDD-GVDBMIGSSA-N 1 2 350.846 2.086 20 30 FEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2OCCO[C@@H]2c2ccccc2)C1 ZINC001014794151 680043543 /nfs/dbraw/zinc/04/35/43/680043543.db2.gz ZNDQGLMRHURZDD-GVDBMIGSSA-N 1 2 350.846 2.086 20 30 FEEDLO C=C(Br)C[N@@H+]1CC[C@@]2(NC(=O)[C@]34C[C@H]3COC4)CCC[C@@H]12 ZINC000990786449 680072988 /nfs/dbraw/zinc/07/29/88/680072988.db2.gz BXCYZZWKFFFNOB-XRGAULLZSA-N 1 2 355.276 2.045 20 30 FEEDLO C=C(Br)C[N@H+]1CC[C@@]2(NC(=O)[C@]34C[C@H]3COC4)CCC[C@@H]12 ZINC000990786449 680072990 /nfs/dbraw/zinc/07/29/90/680072990.db2.gz BXCYZZWKFFFNOB-XRGAULLZSA-N 1 2 355.276 2.045 20 30 FEEDLO C=C(Cl)C(C)(C)C(=O)N1CC[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@H]2C1 ZINC000975724573 680083874 /nfs/dbraw/zinc/08/38/74/680083874.db2.gz ZXBZPQDDYPDWNQ-ZFWWWQNUSA-N 1 2 364.877 2.180 20 30 FEEDLO C=C(Br)CN1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001028144665 680369686 /nfs/dbraw/zinc/36/96/86/680369686.db2.gz ABSSIMAPTAESID-MGPQQGTHSA-N 1 2 367.291 2.013 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000759854245 680670053 /nfs/dbraw/zinc/67/00/53/680670053.db2.gz QJYLDHPYZFOZHK-QGZVFWFLSA-N 1 2 355.841 2.060 20 30 FEEDLO C#CC[NH+]1CCN(c2nnc(CC(F)(F)F)n2Cc2cccs2)CC1 ZINC000843037170 680984281 /nfs/dbraw/zinc/98/42/81/680984281.db2.gz UECUIKLHPMVFOK-UHFFFAOYSA-N 1 2 369.416 2.248 20 30 FEEDLO C#CCC[NH+]1CCN(C(=O)c2c(F)ccc(Br)c2OC)CC1 ZINC000843781377 681017881 /nfs/dbraw/zinc/01/78/81/681017881.db2.gz UFSMBBLILSWIIP-UHFFFAOYSA-N 1 2 369.234 2.378 20 30 FEEDLO COC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000844330238 681051634 /nfs/dbraw/zinc/05/16/34/681051634.db2.gz NMWCFOGYJOLWCQ-CQSZACIVSA-N 1 2 357.288 2.394 20 30 FEEDLO COC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000844330238 681051635 /nfs/dbraw/zinc/05/16/35/681051635.db2.gz NMWCFOGYJOLWCQ-CQSZACIVSA-N 1 2 357.288 2.394 20 30 FEEDLO C=CCCCCNC(=O)N1CC[N@@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000771377080 681053209 /nfs/dbraw/zinc/05/32/09/681053209.db2.gz PSPVUWKREIHJNP-HNNXBMFYSA-N 1 2 354.495 2.193 20 30 FEEDLO C=CCCCCNC(=O)N1CC[N@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000771377080 681053210 /nfs/dbraw/zinc/05/32/10/681053210.db2.gz PSPVUWKREIHJNP-HNNXBMFYSA-N 1 2 354.495 2.193 20 30 FEEDLO C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1CNc1nc(C#N)c(Cl)s1 ZINC001054418894 681107982 /nfs/dbraw/zinc/10/79/82/681107982.db2.gz MYADJEOOSKOZEA-GHMZBOCLSA-N 1 2 364.862 2.071 20 30 FEEDLO CN(C)C(=O)C[NH+]1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932939473 681331414 /nfs/dbraw/zinc/33/14/14/681331414.db2.gz GQBZZJMJROIZLD-RNFRBKRXSA-N 1 2 354.241 2.177 20 30 FEEDLO CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)[N@H+](C)Cc2cc(C#N)cs2)C1 ZINC000933777699 681467515 /nfs/dbraw/zinc/46/75/15/681467515.db2.gz NQVPONMRYJAWDC-UKRRQHHQSA-N 1 2 363.483 2.242 20 30 FEEDLO CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)[N@@H+](C)Cc2cc(C#N)cs2)C1 ZINC000933777699 681467518 /nfs/dbraw/zinc/46/75/18/681467518.db2.gz NQVPONMRYJAWDC-UKRRQHHQSA-N 1 2 363.483 2.242 20 30 FEEDLO C#C[C@H]1CCC[N@@H+](CN2C(=O)N[C@@](C)(c3ccc(Cl)s3)C2=O)C1 ZINC000848493375 681561189 /nfs/dbraw/zinc/56/11/89/681561189.db2.gz MKGLQZXOQYBVGU-ZBEGNZNMSA-N 1 2 351.859 2.471 20 30 FEEDLO C#C[C@H]1CCC[N@H+](CN2C(=O)N[C@@](C)(c3ccc(Cl)s3)C2=O)C1 ZINC000848493375 681561199 /nfs/dbraw/zinc/56/11/99/681561199.db2.gz MKGLQZXOQYBVGU-ZBEGNZNMSA-N 1 2 351.859 2.471 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC2(CC1)C[N@H+](C/C=C\Cl)CCO2 ZINC000949493238 681643719 /nfs/dbraw/zinc/64/37/19/681643719.db2.gz QQHIKLGTQKJHQA-DHVVRSMGSA-N 1 2 368.905 2.414 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC2(CC1)C[N@@H+](C/C=C\Cl)CCO2 ZINC000949493238 681643723 /nfs/dbraw/zinc/64/37/23/681643723.db2.gz QQHIKLGTQKJHQA-DHVVRSMGSA-N 1 2 368.905 2.414 20 30 FEEDLO COc1cc(C=NNC2=[NH+]C[C@@H](C)N2)ccc1OC(=O)c1cccs1 ZINC000779792138 681753528 /nfs/dbraw/zinc/75/35/28/681753528.db2.gz JQZDVPIFGUTXDU-LLVKDONJSA-N 1 2 358.423 2.247 20 30 FEEDLO Cc1cc(C#N)cc(C)c1CS(=O)(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000913845739 685486429 /nfs/dbraw/zinc/48/64/29/685486429.db2.gz XYIOUEMXSSZGTA-QGZVFWFLSA-N 1 2 361.467 2.490 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2nnc(C)s2)CC1(C)C ZINC000941038769 682095912 /nfs/dbraw/zinc/09/59/12/682095912.db2.gz ICTZTFWDHIEHDC-ILXRZTDVSA-N 1 2 364.515 2.154 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2nnc(C)s2)CC1(C)C ZINC000941038769 682095920 /nfs/dbraw/zinc/09/59/20/682095920.db2.gz ICTZTFWDHIEHDC-ILXRZTDVSA-N 1 2 364.515 2.154 20 30 FEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3csc(C)n3)C[C@H]21 ZINC000961994448 682105464 /nfs/dbraw/zinc/10/54/64/682105464.db2.gz IRJSQVNZOSQFTJ-AVEIZBFRSA-N 1 2 361.511 2.369 20 30 FEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3csc(C)n3)C[C@H]21 ZINC000961994448 682105467 /nfs/dbraw/zinc/10/54/67/682105467.db2.gz IRJSQVNZOSQFTJ-AVEIZBFRSA-N 1 2 361.511 2.369 20 30 FEEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[C@H]3c3sccc3C)CC2)C1 ZINC000941408348 682124386 /nfs/dbraw/zinc/12/43/86/682124386.db2.gz BNNWCDLSUBOAMK-QZTJIDSGSA-N 1 2 357.523 2.012 20 30 FEEDLO C[NH+](C)Cc1csc(CNC(=O)NCc2ccc(OCC#N)cc2)n1 ZINC000916489174 685524964 /nfs/dbraw/zinc/52/49/64/685524964.db2.gz ZPOCAGZKDBSTLV-UHFFFAOYSA-N 1 2 359.455 2.106 20 30 FEEDLO C#CCOCCNC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000784317335 682216125 /nfs/dbraw/zinc/21/61/25/682216125.db2.gz XZPHZIYBVILAJQ-MRXNPFEDSA-N 1 2 367.852 2.393 20 30 FEEDLO C#CCOCCNC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000784317335 682216130 /nfs/dbraw/zinc/21/61/30/682216130.db2.gz XZPHZIYBVILAJQ-MRXNPFEDSA-N 1 2 367.852 2.393 20 30 FEEDLO N#Cc1sccc1N1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000852342725 682263758 /nfs/dbraw/zinc/26/37/58/682263758.db2.gz UBUFZTZRGKJECX-MRXNPFEDSA-N 1 2 358.423 2.384 20 30 FEEDLO C#CCC[N@@H+](CCOC)CC(=O)Nc1ccc(Br)cc1F ZINC000852751688 682335470 /nfs/dbraw/zinc/33/54/70/682335470.db2.gz DXQMKYFGBMJIPG-UHFFFAOYSA-N 1 2 357.223 2.498 20 30 FEEDLO C#CCC[N@H+](CCOC)CC(=O)Nc1ccc(Br)cc1F ZINC000852751688 682335472 /nfs/dbraw/zinc/33/54/72/682335472.db2.gz DXQMKYFGBMJIPG-UHFFFAOYSA-N 1 2 357.223 2.498 20 30 FEEDLO Cc1[nH]c(CN=Nc2ccc(S(=O)(=O)NC3CCCC3)cn2)[nH+]c1C ZINC000853288185 682402810 /nfs/dbraw/zinc/40/28/10/682402810.db2.gz IQZHPRIPWPZRMP-UHFFFAOYSA-N 1 2 362.459 2.088 20 30 FEEDLO N#Cc1c(Br)cccc1OCC(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857977020 682929007 /nfs/dbraw/zinc/92/90/07/682929007.db2.gz QDSYIBQIQBNBJO-LBPRGKRZSA-N 1 2 361.199 2.157 20 30 FEEDLO COC(=O)c1cnoc1CO[NH+]=C(N)c1ccc(Br)cc1 ZINC000795217185 683030005 /nfs/dbraw/zinc/03/00/05/683030005.db2.gz LKHJUTZSZCWZJO-UHFFFAOYSA-N 1 2 354.160 2.061 20 30 FEEDLO C[NH+](C)Cc1csc(CNS(=O)(=O)c2ccc(C#N)cc2Cl)n1 ZINC000921092901 683395167 /nfs/dbraw/zinc/39/51/67/683395167.db2.gz IPYWRXXGFCJUTJ-UHFFFAOYSA-N 1 2 370.887 2.208 20 30 FEEDLO C=CCN1CC[C@H]([N@H+]2CCN(C(=O)OC(C)(C)C)[C@@H](C(C)C)C2)C1=O ZINC000799166406 683431589 /nfs/dbraw/zinc/43/15/89/683431589.db2.gz BHXDVRQPZAQAJJ-JKSUJKDBSA-N 1 2 351.491 2.351 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+]2CCN(C(=O)OC(C)(C)C)[C@@H](C(C)C)C2)C1=O ZINC000799166406 683431590 /nfs/dbraw/zinc/43/15/90/683431590.db2.gz BHXDVRQPZAQAJJ-JKSUJKDBSA-N 1 2 351.491 2.351 20 30 FEEDLO C#CC[NH+]1CCC(NS(=O)(=O)c2ccc(C(F)(F)F)s2)CC1 ZINC000921437047 683467623 /nfs/dbraw/zinc/46/76/23/683467623.db2.gz KNKAOIBDSDZONN-UHFFFAOYSA-N 1 2 352.403 2.143 20 30 FEEDLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(Cc2cc(Cl)cc(C#N)c2)CC1 ZINC000929825262 683643994 /nfs/dbraw/zinc/64/39/94/683643994.db2.gz PBPYIBGLSCBMEA-HNNXBMFYSA-N 1 2 360.889 2.340 20 30 FEEDLO O=C(/C=C\C[NH+]1CCOCC1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000864684729 683879941 /nfs/dbraw/zinc/87/99/41/683879941.db2.gz VHKPJZLFDWOBGN-CLTKARDFSA-N 1 2 352.356 2.062 20 30 FEEDLO CCCS(=O)(=O)N1CCC([NH2+][C@H](C)c2cccc(C#N)c2O)CC1 ZINC000866233164 684084833 /nfs/dbraw/zinc/08/48/33/684084833.db2.gz RZPBTXOFGZPIIK-CYBMUJFWSA-N 1 2 351.472 2.119 20 30 FEEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2nc(Br)sc2Cl)C1 ZINC000923554968 684305344 /nfs/dbraw/zinc/30/53/44/684305344.db2.gz TXSJMDBIMJTUEA-MRVPVSSYSA-N 1 2 362.680 2.386 20 30 FEEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2nc(Br)sc2Cl)C1 ZINC000923554968 684305347 /nfs/dbraw/zinc/30/53/47/684305347.db2.gz TXSJMDBIMJTUEA-MRVPVSSYSA-N 1 2 362.680 2.386 20 30 FEEDLO C#CCNC(=O)C1CC[NH+]([C@H](C)C(=O)Nc2c(C)cccc2Cl)CC1 ZINC000878018474 686502679 /nfs/dbraw/zinc/50/26/79/686502679.db2.gz KEKATFULHFZBCS-CQSZACIVSA-N 1 2 361.873 2.437 20 30 FEEDLO C[C@H]1C[N@H+](CC(=O)NCc2ccc(C#N)cc2)CC[C@H](C(F)(F)F)O1 ZINC000880061385 686991098 /nfs/dbraw/zinc/99/10/98/686991098.db2.gz UHCFXJIVLZKOBS-SWLSCSKDSA-N 1 2 355.360 2.216 20 30 FEEDLO C[C@H]1C[N@@H+](CC(=O)NCc2ccc(C#N)cc2)CC[C@H](C(F)(F)F)O1 ZINC000880061385 686991100 /nfs/dbraw/zinc/99/11/00/686991100.db2.gz UHCFXJIVLZKOBS-SWLSCSKDSA-N 1 2 355.360 2.216 20 30 FEEDLO C#CCC1(O)CC[NH+]([C@H](C)C(=O)Nc2c(C)csc2C(=O)OC)CC1 ZINC000880482917 687052867 /nfs/dbraw/zinc/05/28/67/687052867.db2.gz VNZWQDXFZJVLKX-CYBMUJFWSA-N 1 2 364.467 2.020 20 30 FEEDLO C[N@@H+]1CCc2c(cccc2S(=O)(=O)N2CCc3cc(C#N)ccc32)C1 ZINC000886408651 688247369 /nfs/dbraw/zinc/24/73/69/688247369.db2.gz PZIILFPFFQIJSC-UHFFFAOYSA-N 1 2 353.447 2.298 20 30 FEEDLO C[N@H+]1CCc2c(cccc2S(=O)(=O)N2CCc3cc(C#N)ccc32)C1 ZINC000886408651 688247374 /nfs/dbraw/zinc/24/73/74/688247374.db2.gz PZIILFPFFQIJSC-UHFFFAOYSA-N 1 2 353.447 2.298 20 30 FEEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)OC)C1 ZINC000886858368 688328001 /nfs/dbraw/zinc/32/80/01/688328001.db2.gz YAJYVCFDIYYXRL-KGLIPLIRSA-N 1 2 351.472 2.082 20 30 FEEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)OC)C1 ZINC000886858368 688328007 /nfs/dbraw/zinc/32/80/07/688328007.db2.gz YAJYVCFDIYYXRL-KGLIPLIRSA-N 1 2 351.472 2.082 20 30 FEEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2cccc(CSCC)c2)C1 ZINC000891607470 689083180 /nfs/dbraw/zinc/08/31/80/689083180.db2.gz UGSZLOBHCAZBRX-KRWDZBQOSA-N 1 2 359.495 2.092 20 30 FEEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cccc(CSCC)c2)C1 ZINC000891607470 689083184 /nfs/dbraw/zinc/08/31/84/689083184.db2.gz UGSZLOBHCAZBRX-KRWDZBQOSA-N 1 2 359.495 2.092 20 30 FEEDLO Cc1[nH]c(CNC(=O)COc2cccc(Br)c2C#N)[nH+]c1C ZINC000896909517 689949257 /nfs/dbraw/zinc/94/92/57/689949257.db2.gz GCYGPCDVHKAMSX-UHFFFAOYSA-N 1 2 363.215 2.356 20 30 FEEDLO C#CCC[NH+]1CCN(C(=O)c2nn(C(C)C)cc2Br)CC1 ZINC000906484386 691276035 /nfs/dbraw/zinc/27/60/35/691276035.db2.gz WMIRQTFNEVNLCT-UHFFFAOYSA-N 1 2 353.264 2.008 20 30 FEEDLO Cc1cnc2n1CCN(C)C21CCN(c2[nH+]ccc3[nH]cc(C#N)c32)CC1 ZINC001164918322 721817771 /nfs/dbraw/zinc/81/77/71/721817771.db2.gz NVNGTSZYSSDMIM-UHFFFAOYSA-N 1 2 361.453 2.381 20 30 FEEDLO N#Cc1ccc(CS(=O)(=O)N2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000016732414 539636050 /nfs/dbraw/zinc/63/60/50/539636050.db2.gz FUMNVQKZRKFUIZ-UHFFFAOYSA-N 1 2 361.492 2.267 20 30 FEEDLO Cn1cc[nH+]c1[C@H](NS(=O)(=O)c1ccc(C#N)cc1)c1ccccc1F ZINC000017522135 539642121 /nfs/dbraw/zinc/64/21/21/539642121.db2.gz CWCXQJHXPBENPK-QGZVFWFLSA-N 1 2 370.409 2.499 20 30 FEEDLO CCc1ccccc1NC(=O)C[N@H+](C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000017740732 539643149 /nfs/dbraw/zinc/64/31/49/539643149.db2.gz RGZNORWHYWLEFL-SFHVURJKSA-N 1 2 367.449 2.431 20 30 FEEDLO CCc1ccccc1NC(=O)C[N@@H+](C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000017740732 539643151 /nfs/dbraw/zinc/64/31/51/539643151.db2.gz RGZNORWHYWLEFL-SFHVURJKSA-N 1 2 367.449 2.431 20 30 FEEDLO C[C@@H]1C[C@H](C)CN(C(=O)CN2CC[NH+](Cc3cccc(C#N)c3)CC2)C1 ZINC000023257491 539710663 /nfs/dbraw/zinc/71/06/63/539710663.db2.gz LCZDWUVIOGTDHN-HDICACEKSA-N 1 2 354.498 2.180 20 30 FEEDLO C[C@@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN(Cc3cccc(C#N)c3)CC2)C1 ZINC000023257491 539710667 /nfs/dbraw/zinc/71/06/67/539710667.db2.gz LCZDWUVIOGTDHN-HDICACEKSA-N 1 2 354.498 2.180 20 30 FEEDLO CN(Cc1cccc(C#N)c1)C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000027345861 539805570 /nfs/dbraw/zinc/80/55/70/539805570.db2.gz LQSXDCPGCIHENA-UHFFFAOYSA-N 1 2 365.437 2.131 20 30 FEEDLO N#Cc1ccnc(N2CC[NH+]([C@@H](C(=O)NC3CC3)c3ccccc3)CC2)c1 ZINC000029446310 539853605 /nfs/dbraw/zinc/85/36/05/539853605.db2.gz BCIGCQNDZCAQJZ-HXUWFJFHSA-N 1 2 361.449 2.095 20 30 FEEDLO C=CCNC(=O)NC(=O)CN1CC[NH+]([C@@H](C)c2ccccc2Cl)CC1 ZINC000029685838 539860658 /nfs/dbraw/zinc/86/06/58/539860658.db2.gz UERLEJYHTGMUIR-AWEZNQCLSA-N 1 2 364.877 2.030 20 30 FEEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000029253584 539848587 /nfs/dbraw/zinc/84/85/87/539848587.db2.gz OAQOFWBQCCOJSN-OAHLLOKOSA-N 1 2 371.485 2.359 20 30 FEEDLO CCc1[nH+]c2ccccc2n1CC(=O)N1CCN(c2cc(C#N)ccn2)CC1 ZINC000031079632 539897623 /nfs/dbraw/zinc/89/76/23/539897623.db2.gz WPHKQWONINSTPU-UHFFFAOYSA-N 1 2 374.448 2.214 20 30 FEEDLO Cc1cccc(C)c1NC(=O)C[N@H+](C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000031153520 539899445 /nfs/dbraw/zinc/89/94/45/539899445.db2.gz VDZZBZAYYVDJLJ-SFHVURJKSA-N 1 2 367.449 2.485 20 30 FEEDLO Cc1cccc(C)c1NC(=O)C[N@@H+](C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000031153520 539899448 /nfs/dbraw/zinc/89/94/48/539899448.db2.gz VDZZBZAYYVDJLJ-SFHVURJKSA-N 1 2 367.449 2.485 20 30 FEEDLO Cc1cccc([C@H](C/N=C/c2c(CO)cnc(C)c2O)[NH+]2CCOCC2)c1 ZINC000032070346 539928265 /nfs/dbraw/zinc/92/82/65/539928265.db2.gz MGVOBBFXGJJHHJ-CNSRZQHFSA-N 1 2 369.465 2.389 20 30 FEEDLO N#Cc1cccc(NC(=O)C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)c1 ZINC000041519285 540023762 /nfs/dbraw/zinc/02/37/62/540023762.db2.gz XROUKBNJKBLGSX-UHFFFAOYSA-N 1 2 363.421 2.198 20 30 FEEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000042354560 540060419 /nfs/dbraw/zinc/06/04/19/540060419.db2.gz UDIXBBUKPQNZBT-SFHVURJKSA-N 1 2 354.498 2.489 20 30 FEEDLO C=C(C)CN(CC)C(=O)[C@H](C)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000042354560 540060423 /nfs/dbraw/zinc/06/04/23/540060423.db2.gz UDIXBBUKPQNZBT-SFHVURJKSA-N 1 2 354.498 2.489 20 30 FEEDLO N#Cc1ccccc1N1CCCN(C(=O)NCCCn2cc[nH+]c2)CC1 ZINC000042897238 540082242 /nfs/dbraw/zinc/08/22/42/540082242.db2.gz QIQMGPLNLIMTJP-UHFFFAOYSA-N 1 2 352.442 2.067 20 30 FEEDLO COc1ccc(C(=O)N2CC[NH+](CCOc3ccc(C#N)cc3)CC2)cc1 ZINC000044589636 540132470 /nfs/dbraw/zinc/13/24/70/540132470.db2.gz ZXMOOOLFEKHXSA-UHFFFAOYSA-N 1 2 365.433 2.404 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCC(n2c3ccccc3[nH]c2=O)CC1 ZINC000045513399 540215678 /nfs/dbraw/zinc/21/56/78/540215678.db2.gz CLRYGRJMKNISDP-HXUWFJFHSA-N 1 2 369.469 2.021 20 30 FEEDLO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000045575151 540217603 /nfs/dbraw/zinc/21/76/03/540217603.db2.gz HWNDLLXELSLSDN-UHFFFAOYSA-N 1 2 365.393 2.128 20 30 FEEDLO COc1cc2nc(C[N@H+](C)Cc3ccc(C#N)cc3)[nH]c(=O)c2cc1OC ZINC000046526775 540261321 /nfs/dbraw/zinc/26/13/21/540261321.db2.gz LPNBGAWGFRGOFJ-UHFFFAOYSA-N 1 2 364.405 2.444 20 30 FEEDLO COc1cc2nc(C[N@@H+](C)Cc3ccc(C#N)cc3)[nH]c(=O)c2cc1OC ZINC000046526775 540261322 /nfs/dbraw/zinc/26/13/22/540261322.db2.gz LPNBGAWGFRGOFJ-UHFFFAOYSA-N 1 2 364.405 2.444 20 30 FEEDLO C[C@H](C(=O)N1[C@@H](C)CCC[C@@H]1C)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000047858869 540331197 /nfs/dbraw/zinc/33/11/97/540331197.db2.gz HOJXFERIUJDGPT-YESZJQIVSA-N 1 2 355.486 2.253 20 30 FEEDLO CN(C(=O)C[N@H+](C)CC(=O)N(C)C1(C#N)CCCCC1)C1CCCCC1 ZINC000048045738 540341553 /nfs/dbraw/zinc/34/15/53/540341553.db2.gz PJQSKHCPSVFWIG-UHFFFAOYSA-N 1 2 362.518 2.394 20 30 FEEDLO CN(C(=O)C[N@@H+](C)CC(=O)N(C)C1(C#N)CCCCC1)C1CCCCC1 ZINC000048045738 540341556 /nfs/dbraw/zinc/34/15/56/540341556.db2.gz PJQSKHCPSVFWIG-UHFFFAOYSA-N 1 2 362.518 2.394 20 30 FEEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN(C(=O)c2ccc(C)c(F)c2)CC1 ZINC000052129998 540455445 /nfs/dbraw/zinc/45/54/45/540455445.db2.gz BPFZNGMRDXPBCC-KRWDZBQOSA-N 1 2 373.472 2.481 20 30 FEEDLO N#Cc1cccc(NC(=O)C[NH+]2CCC(C(=O)Nc3nccs3)CC2)c1 ZINC000054178042 540573000 /nfs/dbraw/zinc/57/30/00/540573000.db2.gz LRUOZHLHUSFEGR-UHFFFAOYSA-N 1 2 369.450 2.304 20 30 FEEDLO CC(C)N(C(=O)C[NH+]1CCN(c2ccc(C#N)cn2)CC1)C1CCCC1 ZINC000060480379 541113915 /nfs/dbraw/zinc/11/39/15/541113915.db2.gz LXMDPDMVTMEQLE-UHFFFAOYSA-N 1 2 355.486 2.255 20 30 FEEDLO N#Cc1ccc(N2CC[NH+](CC(=O)N(C3CC3)C3CCCC3)CC2)nc1 ZINC000060480340 541113990 /nfs/dbraw/zinc/11/39/90/541113990.db2.gz ZEVUFYKWMTYDNI-UHFFFAOYSA-N 1 2 353.470 2.009 20 30 FEEDLO C[C@@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000061138066 541127196 /nfs/dbraw/zinc/12/71/96/541127196.db2.gz HOJXFERIUJDGPT-BBWFWOEESA-N 1 2 355.486 2.253 20 30 FEEDLO Cc1nc(CC(N)=[NH+]OCC(=O)NCc2ccc(C)c(F)c2)cs1 ZINC000063456839 541169148 /nfs/dbraw/zinc/16/91/48/541169148.db2.gz OMFRLORBMAVIPL-UHFFFAOYSA-N 1 2 350.419 2.047 20 30 FEEDLO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000063754128 541183567 /nfs/dbraw/zinc/18/35/67/541183567.db2.gz XRICMMBKGUBLKD-UHFFFAOYSA-N 1 2 368.393 2.214 20 30 FEEDLO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000063754128 541183569 /nfs/dbraw/zinc/18/35/69/541183569.db2.gz XRICMMBKGUBLKD-UHFFFAOYSA-N 1 2 368.393 2.214 20 30 FEEDLO COCCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000063787380 541185902 /nfs/dbraw/zinc/18/59/02/541185902.db2.gz FDWPPRAEBXJPRA-UHFFFAOYSA-N 1 2 367.453 2.377 20 30 FEEDLO N#CCN(C(=O)c1ccc(S(=O)(=O)Nc2cc[nH+]cc2)cc1)C1CC1 ZINC000065894865 541269508 /nfs/dbraw/zinc/26/95/08/541269508.db2.gz MAWXXBHRNCQBJY-UHFFFAOYSA-N 1 2 356.407 2.011 20 30 FEEDLO N#Cc1c(F)cccc1-n1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)nn2)n1 ZINC000541896513 541292847 /nfs/dbraw/zinc/29/28/47/541292847.db2.gz KXPBYOUZCDFMTJ-UHFFFAOYSA-N 1 2 374.339 2.111 20 30 FEEDLO N#Cc1c(C[N@H+]2CCCC[C@@H]2C(=O)N2CCOCC2)cn2ccccc12 ZINC000067230095 541434881 /nfs/dbraw/zinc/43/48/81/541434881.db2.gz RBJOTZXSQIJAJN-LJQANCHMSA-N 1 2 352.438 2.024 20 30 FEEDLO N#Cc1c(C[N@@H+]2CCCC[C@@H]2C(=O)N2CCOCC2)cn2ccccc12 ZINC000067230095 541434885 /nfs/dbraw/zinc/43/48/85/541434885.db2.gz RBJOTZXSQIJAJN-LJQANCHMSA-N 1 2 352.438 2.024 20 30 FEEDLO NC(=[NH+]OCC(=O)Nc1ccccc1)c1ccc(N2CCCCC2)nc1 ZINC000068270705 541570630 /nfs/dbraw/zinc/57/06/30/541570630.db2.gz YEBYEFMJFUDUBY-UHFFFAOYSA-N 1 2 353.426 2.348 20 30 FEEDLO N#CCCCC[NH+]1CCN(S(=O)(=O)c2ccc(F)c(F)c2F)CC1 ZINC000071016086 541757857 /nfs/dbraw/zinc/75/78/57/541757857.db2.gz XLSXHJMADAUJHI-UHFFFAOYSA-N 1 2 361.389 2.104 20 30 FEEDLO CCC(=O)N1CCC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)CC1 ZINC000077390067 542377095 /nfs/dbraw/zinc/37/70/95/542377095.db2.gz XYYVUVALRQPCJG-MRXNPFEDSA-N 1 2 374.460 2.405 20 30 FEEDLO CCC(=O)N1CCC[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)CC1 ZINC000077390067 542377097 /nfs/dbraw/zinc/37/70/97/542377097.db2.gz XYYVUVALRQPCJG-MRXNPFEDSA-N 1 2 374.460 2.405 20 30 FEEDLO N#Cc1cccc(CS(=O)(=O)NCc2cc[nH+]c(N3CCCC3)c2)c1 ZINC000078616116 542471946 /nfs/dbraw/zinc/47/19/46/542471946.db2.gz YVWFLXQJELQBFZ-UHFFFAOYSA-N 1 2 356.451 2.173 20 30 FEEDLO CNS(=O)(=O)c1cccc2c1CC[N@H+](Cc1ccc(C#N)c(C)c1)C2 ZINC000551721999 674159782 /nfs/dbraw/zinc/15/97/82/674159782.db2.gz RMXRTCVULIQHLW-UHFFFAOYSA-N 1 2 355.463 2.333 20 30 FEEDLO CNS(=O)(=O)c1cccc2c1CC[N@@H+](Cc1ccc(C#N)c(C)c1)C2 ZINC000551721999 674159783 /nfs/dbraw/zinc/15/97/83/674159783.db2.gz RMXRTCVULIQHLW-UHFFFAOYSA-N 1 2 355.463 2.333 20 30 FEEDLO C=CCCO[C@@H](C)C(=O)N1CC[NH+](Cc2cc(OC)cc(OC)c2)CC1 ZINC000081018701 542625101 /nfs/dbraw/zinc/62/51/01/542625101.db2.gz OOXOBLRPPFISDG-INIZCTEOSA-N 1 2 362.470 2.329 20 30 FEEDLO CCOc1ccc([N+](=O)[O-])cc1CN(CCC#N)CC[NH+]1CCOCC1 ZINC000081515418 542662383 /nfs/dbraw/zinc/66/23/83/542662383.db2.gz QPBOUHUGVWZKEW-UHFFFAOYSA-N 1 2 362.430 2.041 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000081530532 542663306 /nfs/dbraw/zinc/66/33/06/542663306.db2.gz XUSXXQGWDDRCEH-UHFFFAOYSA-N 1 2 352.822 2.296 20 30 FEEDLO C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC([C@H](O)c2nccn2C)CC1 ZINC000089925205 542773529 /nfs/dbraw/zinc/77/35/29/542773529.db2.gz WYGRRDSRGRAULM-KDOFPFPSSA-N 1 2 367.453 2.064 20 30 FEEDLO CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2c(C#N)c(C)nn2-c2ccccc2)C1 ZINC000091076327 542792935 /nfs/dbraw/zinc/79/29/35/542792935.db2.gz XTGOBJULTHXSND-KRWDZBQOSA-N 1 2 351.454 2.353 20 30 FEEDLO CC(=O)N1CC[C@@H](C[N@H+](C)Cc2c(C#N)c(C)nn2-c2ccccc2)C1 ZINC000091076327 542792937 /nfs/dbraw/zinc/79/29/37/542792937.db2.gz XTGOBJULTHXSND-KRWDZBQOSA-N 1 2 351.454 2.353 20 30 FEEDLO CC(=O)N1CC[C@H](C[N@@H+](C)Cc2c(C#N)c(C)nn2-c2ccccc2)C1 ZINC000091076328 542793149 /nfs/dbraw/zinc/79/31/49/542793149.db2.gz XTGOBJULTHXSND-QGZVFWFLSA-N 1 2 351.454 2.353 20 30 FEEDLO CC(=O)N1CC[C@H](C[N@H+](C)Cc2c(C#N)c(C)nn2-c2ccccc2)C1 ZINC000091076328 542793151 /nfs/dbraw/zinc/79/31/51/542793151.db2.gz XTGOBJULTHXSND-QGZVFWFLSA-N 1 2 351.454 2.353 20 30 FEEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cccc2c1OCCCO2 ZINC000091936509 542833508 /nfs/dbraw/zinc/83/35/08/542833508.db2.gz RREGEEOCDTZGNJ-HNNXBMFYSA-N 1 2 365.437 2.220 20 30 FEEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cccc2c1OCCCO2 ZINC000091936509 542833511 /nfs/dbraw/zinc/83/35/11/542833511.db2.gz RREGEEOCDTZGNJ-HNNXBMFYSA-N 1 2 365.437 2.220 20 30 FEEDLO COc1ccccc1NC(=O)CN1CC[NH+](Cc2cc(C#N)cs2)CC1 ZINC000093814926 542941250 /nfs/dbraw/zinc/94/12/50/542941250.db2.gz VECIBXZXVSWUQX-UHFFFAOYSA-N 1 2 370.478 2.385 20 30 FEEDLO C=CCOc1ccc(C[NH+]2CCN([C@H](C)C(=O)N3CCCC3)CC2)cc1 ZINC000093843158 542943076 /nfs/dbraw/zinc/94/30/76/542943076.db2.gz VJAUZTSILBEWOJ-GOSISDBHSA-N 1 2 357.498 2.380 20 30 FEEDLO C=CCOc1ccc(CN2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)cc1 ZINC000093843158 542943079 /nfs/dbraw/zinc/94/30/79/542943079.db2.gz VJAUZTSILBEWOJ-GOSISDBHSA-N 1 2 357.498 2.380 20 30 FEEDLO N#Cc1ccncc1N1CC[NH+](CC(=O)N2CCCc3ccccc32)CC1 ZINC000094157416 542954844 /nfs/dbraw/zinc/95/48/44/542954844.db2.gz YTFASFOXUHSXMB-UHFFFAOYSA-N 1 2 361.449 2.055 20 30 FEEDLO C[C@@H]1CCCC[C@H]1N(C)C(=O)C[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000101543826 543029656 /nfs/dbraw/zinc/02/96/56/543029656.db2.gz WQYOQZKSIKQQDD-SJLPKXTDSA-N 1 2 355.486 2.112 20 30 FEEDLO N#Cc1ccc(N2CC[C@H]([NH+]3CCN(c4ccccc4C#N)CC3)C2=O)cc1 ZINC000101554594 543032754 /nfs/dbraw/zinc/03/27/54/543032754.db2.gz WLTIEMRKGHOTEL-NRFANRHFSA-N 1 2 371.444 2.357 20 30 FEEDLO Cc1ccc2oc(N3CC[NH+]([C@H](C)C(=O)N(C)CCC#N)CC3)nc2c1 ZINC000106095357 543194542 /nfs/dbraw/zinc/19/45/42/543194542.db2.gz IFWWUIJVPDWEOT-OAHLLOKOSA-N 1 2 355.442 2.019 20 30 FEEDLO Cn1cc[nH+]c1CN1CCN(C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000106316942 543223067 /nfs/dbraw/zinc/22/30/67/543223067.db2.gz GYLCTKCOMFGEMP-UHFFFAOYSA-N 1 2 358.833 2.295 20 30 FEEDLO N#CCCN(C(=O)C[N@@H+]1CCC[C@H](N2CCCC2=O)C1)c1ccccc1 ZINC000111295760 543394897 /nfs/dbraw/zinc/39/48/97/543394897.db2.gz CZHJUQIXBKBPEY-SFHVURJKSA-N 1 2 354.454 2.020 20 30 FEEDLO N#CCCN(C(=O)C[N@H+]1CCC[C@H](N2CCCC2=O)C1)c1ccccc1 ZINC000111295760 543394901 /nfs/dbraw/zinc/39/49/01/543394901.db2.gz CZHJUQIXBKBPEY-SFHVURJKSA-N 1 2 354.454 2.020 20 30 FEEDLO N#Cc1c2c(n(-c3ccccc3)c1NC(=O)C[N@H+]1CC[C@@H](O)C1)CCCC2 ZINC000114485705 543520364 /nfs/dbraw/zinc/52/03/64/543520364.db2.gz IUVMIHAZRHLJRV-MRXNPFEDSA-N 1 2 364.449 2.233 20 30 FEEDLO N#Cc1c2c(n(-c3ccccc3)c1NC(=O)C[N@@H+]1CC[C@@H](O)C1)CCCC2 ZINC000114485705 543520366 /nfs/dbraw/zinc/52/03/66/543520366.db2.gz IUVMIHAZRHLJRV-MRXNPFEDSA-N 1 2 364.449 2.233 20 30 FEEDLO COc1cc(F)ccc1N1CC[NH+](CC(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000115551454 543574219 /nfs/dbraw/zinc/57/42/19/543574219.db2.gz DSFAWWQDQPUNGE-LJQANCHMSA-N 1 2 362.449 2.011 20 30 FEEDLO N#Cc1ccc([C@H]([NH2+][C@@H]2CCN(c3ccccc3Cl)C2=O)C(N)=O)cc1 ZINC000115599958 543577462 /nfs/dbraw/zinc/57/74/62/543577462.db2.gz KAEXQAPSWVQQHS-WBVHZDCISA-N 1 2 368.824 2.133 20 30 FEEDLO Cn1ncc2c1ncnc2N1CC[NH+](CC#Cc2cccc(Cl)c2)CC1 ZINC000121942376 543701597 /nfs/dbraw/zinc/70/15/97/543701597.db2.gz JWAFOCJCVIUJPF-UHFFFAOYSA-N 1 2 366.856 2.190 20 30 FEEDLO C=CCNC(=O)C[NH+]1CCN(Cc2ccc(Br)c(C)c2)CC1 ZINC000122218105 543705065 /nfs/dbraw/zinc/70/50/65/543705065.db2.gz SKXHDBLLGNJUCZ-UHFFFAOYSA-N 1 2 366.303 2.177 20 30 FEEDLO N#Cc1ccc2[nH+]cc(CNc3cnn(CC(=O)NC4CCCC4)c3)n2c1 ZINC000123590114 543771324 /nfs/dbraw/zinc/77/13/24/543771324.db2.gz XXOVFXBUWPSOJB-UHFFFAOYSA-N 1 2 363.425 2.073 20 30 FEEDLO C[C@H]1C[N@H+](C[C@H](O)COc2ccc(CC#N)cc2)CCN1CC(F)(F)F ZINC000128073758 544031407 /nfs/dbraw/zinc/03/14/07/544031407.db2.gz NFOGGRJJPSXGPW-HOCLYGCPSA-N 1 2 371.403 2.061 20 30 FEEDLO C[C@H]1C[N@@H+](C[C@H](O)COc2ccc(CC#N)cc2)CCN1CC(F)(F)F ZINC000128073758 544031409 /nfs/dbraw/zinc/03/14/09/544031409.db2.gz NFOGGRJJPSXGPW-HOCLYGCPSA-N 1 2 371.403 2.061 20 30 FEEDLO N#CCOc1ccc(CC(=O)N[C@@H]2CCCN(c3cccc[nH+]3)C2)cc1 ZINC000130699699 544161619 /nfs/dbraw/zinc/16/16/19/544161619.db2.gz JWWROWRZYCPMKV-QGZVFWFLSA-N 1 2 350.422 2.312 20 30 FEEDLO C[C@@H](CNS(=O)(=O)c1ccc(C#N)cc1F)[N@@H+]1CCc2ccccc2C1 ZINC000151053840 544500500 /nfs/dbraw/zinc/50/05/00/544500500.db2.gz KNSSAHMZJDTZNH-AWEZNQCLSA-N 1 2 373.453 2.422 20 30 FEEDLO C[C@@H](CNS(=O)(=O)c1ccc(C#N)cc1F)[N@H+]1CCc2ccccc2C1 ZINC000151053840 544500501 /nfs/dbraw/zinc/50/05/01/544500501.db2.gz KNSSAHMZJDTZNH-AWEZNQCLSA-N 1 2 373.453 2.422 20 30 FEEDLO CCCN(CCC)C(=O)CO[NH+]=C(N)c1ccc(-n2nc(C)cc2C)nc1 ZINC000151357871 544532398 /nfs/dbraw/zinc/53/23/98/544532398.db2.gz SDQBTRQNMHVIJI-UHFFFAOYSA-N 1 2 372.473 2.170 20 30 FEEDLO CCOC(=O)c1sc([C@H](C)[NH2+][C@@H](C)C(=O)N(C)CCC#N)nc1C ZINC000151740972 544574792 /nfs/dbraw/zinc/57/47/92/544574792.db2.gz MWMRGEPRZAPRRM-RYUDHWBXSA-N 1 2 352.460 2.039 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000154757081 544945769 /nfs/dbraw/zinc/94/57/69/544945769.db2.gz YQCQGYDLEDYYMG-UHFFFAOYSA-N 1 2 357.433 2.264 20 30 FEEDLO COCCN(Cc1ccc(C)[nH+]c1C)S(=O)(=O)c1ccc(C#N)cc1 ZINC000185339830 327912206 /nfs/dbraw/zinc/91/22/06/327912206.db2.gz NVMQFBFIXWSROH-UHFFFAOYSA-N 1 2 359.451 2.407 20 30 FEEDLO COC(=O)[C@@H]1C[C@@H](OC)C[N@H+]1Cc1cccn1Cc1ccccc1C#N ZINC000187290159 328013671 /nfs/dbraw/zinc/01/36/71/328013671.db2.gz NOLKQUMLAYEMMT-MOPGFXCFSA-N 1 2 353.422 2.170 20 30 FEEDLO COC(=O)[C@@H]1C[C@@H](OC)C[N@@H+]1Cc1cccn1Cc1ccccc1C#N ZINC000187290159 328013672 /nfs/dbraw/zinc/01/36/72/328013672.db2.gz NOLKQUMLAYEMMT-MOPGFXCFSA-N 1 2 353.422 2.170 20 30 FEEDLO CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)c1ccc(C#N)c(O)c1 ZINC000188478233 328089394 /nfs/dbraw/zinc/08/93/94/328089394.db2.gz BYWWCGCIPMQTSM-UHFFFAOYSA-N 1 2 364.449 2.158 20 30 FEEDLO C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)c1ccc(C#N)c(O)c1 ZINC000188521722 328092668 /nfs/dbraw/zinc/09/26/68/328092668.db2.gz ZJFATMVXLJCEPT-INIZCTEOSA-N 1 2 364.449 2.204 20 30 FEEDLO N#Cc1cccnc1N1CC[NH+](CCOCC(F)(F)C(F)(F)F)CC1 ZINC000188597112 328097713 /nfs/dbraw/zinc/09/77/13/328097713.db2.gz ADANFTQZKVNWMV-UHFFFAOYSA-N 1 2 364.318 2.289 20 30 FEEDLO COC(=O)C1([N@H+](C)[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCCC1 ZINC000192690654 328333366 /nfs/dbraw/zinc/33/33/66/328333366.db2.gz JVBJXNSSZUDTOR-KRWDZBQOSA-N 1 2 355.438 2.471 20 30 FEEDLO COC(=O)C1([N@@H+](C)[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCCC1 ZINC000192690654 328333368 /nfs/dbraw/zinc/33/33/68/328333368.db2.gz JVBJXNSSZUDTOR-KRWDZBQOSA-N 1 2 355.438 2.471 20 30 FEEDLO CCC[C@]1(C)C(=O)NCC[N@@H+]1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192806207 328340710 /nfs/dbraw/zinc/34/07/10/328340710.db2.gz GUYFJUOBEGOCTJ-YLJYHZDGSA-N 1 2 354.454 2.044 20 30 FEEDLO CCC[C@]1(C)C(=O)NCC[N@H+]1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192806207 328340713 /nfs/dbraw/zinc/34/07/13/328340713.db2.gz GUYFJUOBEGOCTJ-YLJYHZDGSA-N 1 2 354.454 2.044 20 30 FEEDLO C[C@@H]1C[NH+]=C(N2CCN(Cc3nnc(-c4ccc(C#N)cc4)o3)CC2)S1 ZINC000079496615 325093078 /nfs/dbraw/zinc/09/30/78/325093078.db2.gz ZYSIHMZHJRSHGM-CYBMUJFWSA-N 1 2 368.466 2.217 20 30 FEEDLO CCCC(=O)N[C@H]1CCC[N@@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000083170182 325214507 /nfs/dbraw/zinc/21/45/07/325214507.db2.gz ZIGDBQQSZNRSMO-LSDHHAIUSA-N 1 2 360.483 2.106 20 30 FEEDLO CCCC(=O)N[C@H]1CCC[N@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000083170182 325214509 /nfs/dbraw/zinc/21/45/09/325214509.db2.gz ZIGDBQQSZNRSMO-LSDHHAIUSA-N 1 2 360.483 2.106 20 30 FEEDLO N#Cc1ccc([C@H]([NH2+][C@@H]2CCCN(c3ccccc3F)C2=O)C(N)=O)cc1 ZINC000090069683 325353221 /nfs/dbraw/zinc/35/32/21/325353221.db2.gz GOTQUGZFMYNYIR-AEFFLSMTSA-N 1 2 366.396 2.009 20 30 FEEDLO C[C@@H](C(=O)NCc1cccs1)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000101554691 325471776 /nfs/dbraw/zinc/47/17/76/325471776.db2.gz WGMWNWNBCMXGSE-HNNXBMFYSA-N 1 2 354.479 2.447 20 30 FEEDLO Cc1cccc2[nH+]c(CN3C(=O)N[C@](C)(c4cccc(C#N)c4)C3=O)cn21 ZINC000118176439 326085484 /nfs/dbraw/zinc/08/54/84/326085484.db2.gz XRPMTLLLQHHJSO-HXUWFJFHSA-N 1 2 359.389 2.482 20 30 FEEDLO CCn1nccc1C[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000119644163 326183841 /nfs/dbraw/zinc/18/38/41/326183841.db2.gz SWNUYDSIGMDHEK-UHFFFAOYSA-N 1 2 352.398 2.345 20 30 FEEDLO N#Cc1ccc(OC2CN(C(=O)NCCc3cn4ccccc4[nH+]3)C2)cc1 ZINC000133292724 326606157 /nfs/dbraw/zinc/60/61/57/326606157.db2.gz IRBKRMDDZCXVDS-UHFFFAOYSA-N 1 2 361.405 2.221 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)N2CC[NH+](CCc3ccccc3)CC2)c(F)c1 ZINC000151036855 326673463 /nfs/dbraw/zinc/67/34/63/326673463.db2.gz VBLNGAICBKFNKU-UHFFFAOYSA-N 1 2 373.453 2.246 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cccc([N+](=O)[O-])c3N)CC2)cc1 ZINC000267191758 329301115 /nfs/dbraw/zinc/30/11/15/329301115.db2.gz LCUVKEROMXKXRW-UHFFFAOYSA-N 1 2 365.393 2.007 20 30 FEEDLO Cc1nc(N2CC[NH+](CC(=O)NCc3ccc(C#N)cc3)CC2)sc1C ZINC000269918418 329560021 /nfs/dbraw/zinc/56/00/21/329560021.db2.gz DXFMPAPIXCMADS-UHFFFAOYSA-N 1 2 369.494 2.070 20 30 FEEDLO CO[C@@H](C)c1noc(C[N@@H+]2CCCN(c3cc(C#N)cc(C)n3)CC2)n1 ZINC000367264046 330237757 /nfs/dbraw/zinc/23/77/57/330237757.db2.gz IWERMSLSQVCHMS-AWEZNQCLSA-N 1 2 356.430 2.064 20 30 FEEDLO CO[C@@H](C)c1noc(C[N@H+]2CCCN(c3cc(C#N)cc(C)n3)CC2)n1 ZINC000367264046 330237759 /nfs/dbraw/zinc/23/77/59/330237759.db2.gz IWERMSLSQVCHMS-AWEZNQCLSA-N 1 2 356.430 2.064 20 30 FEEDLO C[C@@](C#N)(NC(=O)C[N@H+](Cc1cccs1)[C@@H]1C=C[C@H](CO)C1)C1CC1 ZINC000553938571 674295530 /nfs/dbraw/zinc/29/55/30/674295530.db2.gz JBDPLWLJXUJVDE-GMBSWORKSA-N 1 2 359.495 2.296 20 30 FEEDLO C[C@@](C#N)(NC(=O)C[N@@H+](Cc1cccs1)[C@@H]1C=C[C@H](CO)C1)C1CC1 ZINC000553938571 674295534 /nfs/dbraw/zinc/29/55/34/674295534.db2.gz JBDPLWLJXUJVDE-GMBSWORKSA-N 1 2 359.495 2.296 20 30 FEEDLO Cc1nn(C)c(N2CC[NH+](CCOc3ccccc3Cl)CC2)c1C#N ZINC000554186868 674307317 /nfs/dbraw/zinc/30/73/17/674307317.db2.gz SXTDNDIKXFVJGJ-UHFFFAOYSA-N 1 2 359.861 2.455 20 30 FEEDLO CC[N@@H+]1CCO[C@@H](C(=O)OCc2cc(C#N)ccc2Br)C1 ZINC000805470249 674338532 /nfs/dbraw/zinc/33/85/32/674338532.db2.gz VUMQHICYOJKFQJ-CQSZACIVSA-N 1 2 353.216 2.085 20 30 FEEDLO CC[N@H+]1CCO[C@@H](C(=O)OCc2cc(C#N)ccc2Br)C1 ZINC000805470249 674338534 /nfs/dbraw/zinc/33/85/34/674338534.db2.gz VUMQHICYOJKFQJ-CQSZACIVSA-N 1 2 353.216 2.085 20 30 FEEDLO Cc1n[nH]cc1CNC(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000328654404 526545003 /nfs/dbraw/zinc/54/50/03/526545003.db2.gz XJQMNEIUMBEGPA-KBPBESRZSA-N 1 2 351.451 2.396 20 30 FEEDLO Cc1n[nH]cc1CNC(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000328654404 526545008 /nfs/dbraw/zinc/54/50/08/526545008.db2.gz XJQMNEIUMBEGPA-KBPBESRZSA-N 1 2 351.451 2.396 20 30 FEEDLO Cc1cc(OC[C@@H](O)C[N@H+](C)CCC#N)ccc1I ZINC000414130391 559150264 /nfs/dbraw/zinc/15/02/64/559150264.db2.gz WUEOJADFPZLDIH-LBPRGKRZSA-N 1 2 374.222 2.185 20 30 FEEDLO Cc1cc(OC[C@@H](O)C[N@@H+](C)CCC#N)ccc1I ZINC000414130391 559150265 /nfs/dbraw/zinc/15/02/65/559150265.db2.gz WUEOJADFPZLDIH-LBPRGKRZSA-N 1 2 374.222 2.185 20 30 FEEDLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(CC#Cc2cccc(Cl)c2)CC1 ZINC000156792234 545660930 /nfs/dbraw/zinc/66/09/30/545660930.db2.gz DFZXXWXVFKLSBX-QGZVFWFLSA-N 1 2 359.901 2.320 20 30 FEEDLO Cn1cc[nH+]c1CNC(=O)NC1CCC(Oc2ccccc2C#N)CC1 ZINC000477408469 561144195 /nfs/dbraw/zinc/14/41/95/561144195.db2.gz SNMADZOTYXEBHC-UHFFFAOYSA-N 1 2 353.426 2.481 20 30 FEEDLO C#Cc1cccc(NC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000161996132 546136479 /nfs/dbraw/zinc/13/64/79/546136479.db2.gz OXVLNWFVLNOYSD-UHFFFAOYSA-N 1 2 362.433 2.130 20 30 FEEDLO C[N@@H+]1CC[C@H](NS(=O)(=O)CC2(C#N)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000166159653 546155071 /nfs/dbraw/zinc/15/50/71/546155071.db2.gz XWGGRYRHFDZCRU-GJZGRUSLSA-N 1 2 371.865 2.447 20 30 FEEDLO C[N@H+]1CC[C@H](NS(=O)(=O)CC2(C#N)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000166159653 546155075 /nfs/dbraw/zinc/15/50/75/546155075.db2.gz XWGGRYRHFDZCRU-GJZGRUSLSA-N 1 2 371.865 2.447 20 30 FEEDLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(S(=O)(=O)CC2(C#N)CC2)CC1 ZINC000166273422 546155920 /nfs/dbraw/zinc/15/59/20/546155920.db2.gz WYYRGTKHFGKGOZ-AWEZNQCLSA-N 1 2 351.447 2.138 20 30 FEEDLO CC(=O)N1CCC[N@@H+](CC(=O)Nc2ccccc2SC[C@@H](C)C#N)CC1 ZINC000170983684 546184826 /nfs/dbraw/zinc/18/48/26/546184826.db2.gz OEPGSDSNLSZYMH-HNNXBMFYSA-N 1 2 374.510 2.431 20 30 FEEDLO CC(=O)N1CCC[N@H+](CC(=O)Nc2ccccc2SC[C@@H](C)C#N)CC1 ZINC000170983684 546184827 /nfs/dbraw/zinc/18/48/27/546184827.db2.gz OEPGSDSNLSZYMH-HNNXBMFYSA-N 1 2 374.510 2.431 20 30 FEEDLO CC(C)[C@@H](NC(=O)CN(CCC#N)CC[NH+]1CCOCC1)c1ccccc1 ZINC000174831446 546303919 /nfs/dbraw/zinc/30/39/19/546303919.db2.gz VWGRUNWZDPLCRI-OAQYLSRUSA-N 1 2 372.513 2.048 20 30 FEEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1)C1CC1 ZINC000175170417 546307032 /nfs/dbraw/zinc/30/70/32/546307032.db2.gz NPSSKJXZVWWAAT-WIYYLYMNSA-N 1 2 368.481 2.079 20 30 FEEDLO C[C@](C#N)(NC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1)C1CC1 ZINC000175170417 546307033 /nfs/dbraw/zinc/30/70/33/546307033.db2.gz NPSSKJXZVWWAAT-WIYYLYMNSA-N 1 2 368.481 2.079 20 30 FEEDLO Cc1sc(NC(=O)C[NH+]2CCC(N3CCCC3=O)CC2)c(C#N)c1C ZINC000177125059 546549651 /nfs/dbraw/zinc/54/96/51/546549651.db2.gz CNQQAGDGGCFCFM-UHFFFAOYSA-N 1 2 360.483 2.262 20 30 FEEDLO CCC[C@H](C)NC(=O)[C@H](C)O[NH+]=C(N)c1ccc(-n2nc(C)cc2C)nc1 ZINC000177482700 546627987 /nfs/dbraw/zinc/62/79/87/546627987.db2.gz CUCYMJWTIQBYSZ-WFASDCNBSA-N 1 2 372.473 2.214 20 30 FEEDLO Cc1c(C#N)cccc1NC(=O)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000178420635 546791355 /nfs/dbraw/zinc/79/13/55/546791355.db2.gz MJSJNYWIQOXOLE-UHFFFAOYSA-N 1 2 373.416 2.366 20 30 FEEDLO C=CCCC[C@@H](C)NC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000180503907 547120346 /nfs/dbraw/zinc/12/03/46/547120346.db2.gz PWDWKIYGUPCBSD-QGZVFWFLSA-N 1 2 373.501 2.164 20 30 FEEDLO C[C@@](C#N)(NC(=O)C[NH2+][C@H](CO)c1c(Cl)cccc1Cl)C1CC1 ZINC000483225497 561271224 /nfs/dbraw/zinc/27/12/24/561271224.db2.gz HYEPWQUHJTWZKL-CJNGLKHVSA-N 1 2 356.253 2.425 20 30 FEEDLO Cc1[nH+]c2ccccc2n1CC(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000183688918 547702463 /nfs/dbraw/zinc/70/24/63/547702463.db2.gz UHWMFYBXCNSLHK-UHFFFAOYSA-N 1 2 357.377 2.436 20 30 FEEDLO N#Cc1cccnc1-n1cc(NC(=O)N2CCC[C@H]2Cn2cc[nH+]c2)cn1 ZINC000184617017 547854362 /nfs/dbraw/zinc/85/43/62/547854362.db2.gz AHJYEHLHICMPSX-INIZCTEOSA-N 1 2 362.397 2.032 20 30 FEEDLO CC[N@H+](C[C@@H]1COc2ccccc2O1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000485051585 561311287 /nfs/dbraw/zinc/31/12/87/561311287.db2.gz RKGKXUIUSGYODP-APWZRJJASA-N 1 2 351.406 2.247 20 30 FEEDLO CC[N@@H+](C[C@@H]1COc2ccccc2O1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000485051585 561311288 /nfs/dbraw/zinc/31/12/88/561311288.db2.gz RKGKXUIUSGYODP-APWZRJJASA-N 1 2 351.406 2.247 20 30 FEEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000188395148 548279315 /nfs/dbraw/zinc/27/93/15/548279315.db2.gz DAACKYNMDLMORX-UZLBHIALSA-N 1 2 373.501 2.001 20 30 FEEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000188395148 548279320 /nfs/dbraw/zinc/27/93/20/548279320.db2.gz DAACKYNMDLMORX-UZLBHIALSA-N 1 2 373.501 2.001 20 30 FEEDLO C=CCN(CC=C)C(=O)C[NH+]1CCN(c2ncnc3sc(C)cc32)CC1 ZINC000189518719 548304533 /nfs/dbraw/zinc/30/45/33/548304533.db2.gz PLWBKTAXXUVHCC-UHFFFAOYSA-N 1 2 371.510 2.322 20 30 FEEDLO C=CCSCCNC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000194565825 548499718 /nfs/dbraw/zinc/49/97/18/548499718.db2.gz NYCCRFPRESROFC-GASCZTMLSA-N 1 2 364.515 2.414 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)CN1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000214687399 548668122 /nfs/dbraw/zinc/66/81/22/548668122.db2.gz IXKOUIUAWBIUKP-PWYGHMFVSA-N 1 2 354.498 2.372 20 30 FEEDLO N#Cc1ccc(C(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)s1 ZINC000487617684 561372663 /nfs/dbraw/zinc/37/26/63/561372663.db2.gz NXDTYOAQOAVSKY-INIZCTEOSA-N 1 2 355.463 2.293 20 30 FEEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+](C)C[C@@H](O)C(F)(F)F ZINC000245978382 549030052 /nfs/dbraw/zinc/03/00/52/549030052.db2.gz GNYOMVSIDIZNAY-SWLSCSKDSA-N 1 2 373.375 2.185 20 30 FEEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+](C)C[C@@H](O)C(F)(F)F ZINC000245978382 549030055 /nfs/dbraw/zinc/03/00/55/549030055.db2.gz GNYOMVSIDIZNAY-SWLSCSKDSA-N 1 2 373.375 2.185 20 30 FEEDLO COC(=O)[C@H](NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1)c1cccc(C#N)c1 ZINC000246391754 549122814 /nfs/dbraw/zinc/12/28/14/549122814.db2.gz IYBAMOHNODLOOS-IIDMSEBBSA-N 1 2 359.470 2.250 20 30 FEEDLO CO[C@@H]1CC[C@@H]2OCC[N@H+](CC(=O)N(CCC#N)c3ccccc3)[C@H]2C1 ZINC000246575247 549165243 /nfs/dbraw/zinc/16/52/43/549165243.db2.gz LZHJJFVOUMBWIJ-QYZOEREBSA-N 1 2 357.454 2.202 20 30 FEEDLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](CC(=O)N(CCC#N)c3ccccc3)[C@H]2C1 ZINC000246575247 549165250 /nfs/dbraw/zinc/16/52/50/549165250.db2.gz LZHJJFVOUMBWIJ-QYZOEREBSA-N 1 2 357.454 2.202 20 30 FEEDLO C=CCCCS(=O)(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000489116510 561403816 /nfs/dbraw/zinc/40/38/16/561403816.db2.gz XBFMRUUYIMODSI-GASCZTMLSA-N 1 2 353.488 2.081 20 30 FEEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000249029162 549540081 /nfs/dbraw/zinc/54/00/81/549540081.db2.gz SFDFNXAINTVZBF-YJBOKZPZSA-N 1 2 350.484 2.143 20 30 FEEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC000249029162 549540083 /nfs/dbraw/zinc/54/00/83/549540083.db2.gz SFDFNXAINTVZBF-YJBOKZPZSA-N 1 2 350.484 2.143 20 30 FEEDLO C[C@@H]1CN(C[C@H]2CCC[N@@H+]2CC(=O)Nc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000249819320 549631234 /nfs/dbraw/zinc/63/12/34/549631234.db2.gz MONONSRNRZBOBT-JTDSTZFVSA-N 1 2 356.470 2.070 20 30 FEEDLO C[C@@H]1CN(C[C@H]2CCC[N@H+]2CC(=O)Nc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000249819320 549631237 /nfs/dbraw/zinc/63/12/37/549631237.db2.gz MONONSRNRZBOBT-JTDSTZFVSA-N 1 2 356.470 2.070 20 30 FEEDLO CC(C)(C)c1nc(CC(=O)N(CCC#N)CC[NH+]2CCOCC2)cs1 ZINC000263844994 549944585 /nfs/dbraw/zinc/94/45/85/549944585.db2.gz XBBHNIONOYBYQH-UHFFFAOYSA-N 1 2 364.515 2.058 20 30 FEEDLO N#CCCN(C(=O)C[N@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F)c1ccccc1 ZINC000264630111 549999020 /nfs/dbraw/zinc/99/90/20/549999020.db2.gz UUJORXGOHAUCQZ-GOEBONIOSA-N 1 2 355.360 2.321 20 30 FEEDLO N#CCCN(C(=O)C[N@@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F)c1ccccc1 ZINC000264630111 549999022 /nfs/dbraw/zinc/99/90/22/549999022.db2.gz UUJORXGOHAUCQZ-GOEBONIOSA-N 1 2 355.360 2.321 20 30 FEEDLO C[C@@H]1SCC[N@H+](CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)[C@H]1C ZINC000265534069 550011652 /nfs/dbraw/zinc/01/16/52/550011652.db2.gz QCNUYYNWKFWHJJ-OBJOEFQTSA-N 1 2 356.451 2.337 20 30 FEEDLO C[C@@H]1SCC[N@@H+](CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)[C@H]1C ZINC000265534069 550011655 /nfs/dbraw/zinc/01/16/55/550011655.db2.gz QCNUYYNWKFWHJJ-OBJOEFQTSA-N 1 2 356.451 2.337 20 30 FEEDLO CC(C)CO[C@H](C)C(N)=[NH+]OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000266166611 550017822 /nfs/dbraw/zinc/01/78/22/550017822.db2.gz AQTVFSQZSYMLNF-LLVKDONJSA-N 1 2 353.375 2.311 20 30 FEEDLO COc1cccc(CNC(=O)[C@@H](C)O[NH+]=C(N)[C@@H](C)OCC(C)C)c1 ZINC000266223270 550018480 /nfs/dbraw/zinc/01/84/80/550018480.db2.gz RSCYEYZNUQLKCS-ZIAGYGMSSA-N 1 2 351.447 2.050 20 30 FEEDLO C[C@H](CCOc1ccccc1)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000266751249 550023576 /nfs/dbraw/zinc/02/35/76/550023576.db2.gz XPJRQUYKMJHATK-GOSISDBHSA-N 1 2 359.470 2.166 20 30 FEEDLO C#CC[N@@H+](CC)CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000266904474 550025965 /nfs/dbraw/zinc/02/59/65/550025965.db2.gz HLYAPAMXGVMEGX-UHFFFAOYSA-N 1 2 351.332 2.180 20 30 FEEDLO C#CC[N@H+](CC)CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000266904474 550025966 /nfs/dbraw/zinc/02/59/66/550025966.db2.gz HLYAPAMXGVMEGX-UHFFFAOYSA-N 1 2 351.332 2.180 20 30 FEEDLO COc1cccc(CN(C)C(=O)CO[NH+]=C(N)[C@@H](C)OCC(C)C)c1 ZINC000267015976 550026376 /nfs/dbraw/zinc/02/63/76/550026376.db2.gz OXTWEULZBXPNHC-CQSZACIVSA-N 1 2 351.447 2.004 20 30 FEEDLO NC(=O)c1ccc(N2CC[NH+](CC#Cc3ccc(Cl)cc3)CC2)nc1 ZINC000267381129 550030487 /nfs/dbraw/zinc/03/04/87/550030487.db2.gz LOVUHCRCYYGZIF-UHFFFAOYSA-N 1 2 354.841 2.008 20 30 FEEDLO Cn1cc(C[NH+]2CCN(Cc3cc(C#N)ccc3Br)CC2)cn1 ZINC000492628841 561452094 /nfs/dbraw/zinc/45/20/94/561452094.db2.gz HZRLOFXOSHMLKG-UHFFFAOYSA-N 1 2 374.286 2.372 20 30 FEEDLO C[N@H+](CCc1nccs1)CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000269890427 550233673 /nfs/dbraw/zinc/23/36/73/550233673.db2.gz RZRIDJOFKGQRJF-CYBMUJFWSA-N 1 2 367.434 2.143 20 30 FEEDLO C[N@@H+](CCc1nccs1)CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000269890427 550233675 /nfs/dbraw/zinc/23/36/75/550233675.db2.gz RZRIDJOFKGQRJF-CYBMUJFWSA-N 1 2 367.434 2.143 20 30 FEEDLO C=CCS(=O)(=O)CCNc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000272799262 550471523 /nfs/dbraw/zinc/47/15/23/550471523.db2.gz DMZJRTIBIGNQIU-UHFFFAOYSA-N 1 2 362.411 2.373 20 30 FEEDLO CS(=O)(=O)[C@@H]1CCC[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000274093111 550522855 /nfs/dbraw/zinc/52/28/55/550522855.db2.gz ITYFJHFTSJZJBP-GOSISDBHSA-N 1 2 372.494 2.473 20 30 FEEDLO CS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000274093111 550522857 /nfs/dbraw/zinc/52/28/57/550522857.db2.gz ITYFJHFTSJZJBP-GOSISDBHSA-N 1 2 372.494 2.473 20 30 FEEDLO N#Cc1ncccc1S(=O)(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000277085786 550630474 /nfs/dbraw/zinc/63/04/74/550630474.db2.gz UZUXUZQEAIOQLZ-UHFFFAOYSA-N 1 2 371.466 2.207 20 30 FEEDLO C=CCN(Cc1ccc(OC)cc1)C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000277393201 550665117 /nfs/dbraw/zinc/66/51/17/550665117.db2.gz DQCSGAYKYXJPPB-UHFFFAOYSA-N 1 2 359.470 2.258 20 30 FEEDLO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)c1nc(C(F)(F)F)cs1 ZINC000278842609 550827954 /nfs/dbraw/zinc/82/79/54/550827954.db2.gz FAFFYBSHQQFQCS-JGVFFNPUSA-N 1 2 350.366 2.213 20 30 FEEDLO CC(C)(C#N)c1ccc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1 ZINC000279806263 550930902 /nfs/dbraw/zinc/93/09/02/550930902.db2.gz NZVUFAMCAGXOQL-UHFFFAOYSA-N 1 2 354.454 2.176 20 30 FEEDLO C[C@@H]1C[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)CC2(CCOCC2)O1 ZINC000279941062 550945111 /nfs/dbraw/zinc/94/51/11/550945111.db2.gz XFNIOHJITWMPMV-CQSZACIVSA-N 1 2 354.410 2.378 20 30 FEEDLO C[C@@H]1C[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)CC2(CCOCC2)O1 ZINC000279941062 550945112 /nfs/dbraw/zinc/94/51/12/550945112.db2.gz XFNIOHJITWMPMV-CQSZACIVSA-N 1 2 354.410 2.378 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2C[C@H](C)O[C@@]3(CCOC3)C2)c1 ZINC000280271956 550975673 /nfs/dbraw/zinc/97/56/73/550975673.db2.gz CVPUCOULWQAFFP-RXVVDRJESA-N 1 2 371.481 2.430 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2C[C@H](C)O[C@@]3(CCOC3)C2)c1 ZINC000280271956 550975674 /nfs/dbraw/zinc/97/56/74/550975674.db2.gz CVPUCOULWQAFFP-RXVVDRJESA-N 1 2 371.481 2.430 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCO[C@@]3(CCO[C@H]3C)C2)c1 ZINC000280532287 551004747 /nfs/dbraw/zinc/00/47/47/551004747.db2.gz SLZBSQPLFITYJZ-RXVVDRJESA-N 1 2 371.481 2.430 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCO[C@@]3(CCO[C@H]3C)C2)c1 ZINC000280532287 551004748 /nfs/dbraw/zinc/00/47/48/551004748.db2.gz SLZBSQPLFITYJZ-RXVVDRJESA-N 1 2 371.481 2.430 20 30 FEEDLO COc1ccc([C@@H](CNc2nc(C)cc(C#N)n2)[NH+]2CCOCC2)cc1 ZINC000281054135 551058703 /nfs/dbraw/zinc/05/87/03/551058703.db2.gz XOLUEEDDBNXKGP-GOSISDBHSA-N 1 2 353.426 2.151 20 30 FEEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)C(=O)Nc2cccc3ncccc32)C1=O ZINC000281384087 551090678 /nfs/dbraw/zinc/09/06/78/551090678.db2.gz PIAQAOGEXHVSAG-RDTXWAMCSA-N 1 2 352.438 2.281 20 30 FEEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](C)C(=O)Nc2cccc3ncccc32)C1=O ZINC000281384087 551090679 /nfs/dbraw/zinc/09/06/79/551090679.db2.gz PIAQAOGEXHVSAG-RDTXWAMCSA-N 1 2 352.438 2.281 20 30 FEEDLO CO[C@H]1CC[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)[C@H](C)C1 ZINC000282271447 551204292 /nfs/dbraw/zinc/20/42/92/551204292.db2.gz HQXXEVRMPHASEJ-PBHICJAKSA-N 1 2 353.426 2.182 20 30 FEEDLO CO[C@H]1CC[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)[C@H](C)C1 ZINC000282271447 551204294 /nfs/dbraw/zinc/20/42/94/551204294.db2.gz HQXXEVRMPHASEJ-PBHICJAKSA-N 1 2 353.426 2.182 20 30 FEEDLO CS(=O)(=O)[C@@H]1CC[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000282762621 551267573 /nfs/dbraw/zinc/26/75/73/551267573.db2.gz OWQFYVUQOVCHLQ-QGZVFWFLSA-N 1 2 358.467 2.083 20 30 FEEDLO CS(=O)(=O)[C@@H]1CC[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000282762621 551267574 /nfs/dbraw/zinc/26/75/74/551267574.db2.gz OWQFYVUQOVCHLQ-QGZVFWFLSA-N 1 2 358.467 2.083 20 30 FEEDLO CN(CCC#N)C(=O)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000283105401 551312368 /nfs/dbraw/zinc/31/23/68/551312368.db2.gz ASUSJPZGLCROSM-UHFFFAOYSA-N 1 2 351.410 2.197 20 30 FEEDLO C=CCN1CC[C@@H](O[NH+]=C(N)c2cccc(OCc3cccnc3)c2)C1=O ZINC000283481556 551373867 /nfs/dbraw/zinc/37/38/67/551373867.db2.gz HUBZDNXTUWFACX-GOSISDBHSA-N 1 2 366.421 2.084 20 30 FEEDLO C[C@@H](O[NH+]=C(N)[C@@H]1CCCO1)C(=O)Nc1ccccc1Br ZINC000284028310 551470904 /nfs/dbraw/zinc/47/09/04/551470904.db2.gz IMBYHOSMPQQLCG-SKDRFNHKSA-N 1 2 356.220 2.244 20 30 FEEDLO C[C@H](O[NH+]=C(N)[C@@H]1CCCO1)C(=O)Nc1cccc(Br)c1 ZINC000284378393 551536750 /nfs/dbraw/zinc/53/67/50/551536750.db2.gz LWZCSNKMUXECKA-CABZTGNLSA-N 1 2 356.220 2.244 20 30 FEEDLO Cc1ccc(NC(=O)CO[NH+]=C(N)[C@@H]2CCCO2)c(Br)c1 ZINC000284535831 551571674 /nfs/dbraw/zinc/57/16/74/551571674.db2.gz VHHMXFVPGZUJSV-LBPRGKRZSA-N 1 2 356.220 2.164 20 30 FEEDLO Cc1nc(C(=O)N(C)C[C@@H]2OCC[N@H+](C)[C@H]2c2ccccc2)ccc1C#N ZINC000284733917 551620346 /nfs/dbraw/zinc/62/03/46/551620346.db2.gz CTSFRIWYXMNCFI-PMACEKPBSA-N 1 2 364.449 2.406 20 30 FEEDLO Cc1nc(C(=O)N(C)C[C@@H]2OCC[N@@H+](C)[C@H]2c2ccccc2)ccc1C#N ZINC000284733917 551620347 /nfs/dbraw/zinc/62/03/47/551620347.db2.gz CTSFRIWYXMNCFI-PMACEKPBSA-N 1 2 364.449 2.406 20 30 FEEDLO C=CCn1c(=O)c2ccc(C(=O)N3CCCC[C@H]3CC[NH3+])cc2[nH]c1=S ZINC000286125729 551851417 /nfs/dbraw/zinc/85/14/17/551851417.db2.gz OQYLKCWTEGORCY-AWEZNQCLSA-N 1 2 372.494 2.215 20 30 FEEDLO C#CCN(Cc1ccccc1)C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000287007387 551950946 /nfs/dbraw/zinc/95/09/46/551950946.db2.gz HLXSOWCCGUZZNF-UHFFFAOYSA-N 1 2 364.449 2.263 20 30 FEEDLO Cn1cnnc1C[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000287113173 551965168 /nfs/dbraw/zinc/96/51/68/551965168.db2.gz YOKXIERAJKFXJU-UHFFFAOYSA-N 1 2 372.498 2.478 20 30 FEEDLO Cn1cnnc1C[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000287113173 551965170 /nfs/dbraw/zinc/96/51/70/551965170.db2.gz YOKXIERAJKFXJU-UHFFFAOYSA-N 1 2 372.498 2.478 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N(CCC)Cc2ccc(C)cc2)C1=O ZINC000499940602 561562406 /nfs/dbraw/zinc/56/24/06/561562406.db2.gz RVEBHCXXPFPLLD-IBGZPJMESA-N 1 2 357.498 2.452 20 30 FEEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N(CCC)Cc2ccc(C)cc2)C1=O ZINC000499940602 561562407 /nfs/dbraw/zinc/56/24/07/561562407.db2.gz RVEBHCXXPFPLLD-IBGZPJMESA-N 1 2 357.498 2.452 20 30 FEEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)NCCc2ccc(C(C)C)cc2)C1=O ZINC000500017554 561564165 /nfs/dbraw/zinc/56/41/65/561564165.db2.gz JRQMLFVWJSHOJW-LJQANCHMSA-N 1 2 357.498 2.187 20 30 FEEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)NCCc2ccc(C(C)C)cc2)C1=O ZINC000500017554 561564166 /nfs/dbraw/zinc/56/41/66/561564166.db2.gz JRQMLFVWJSHOJW-LJQANCHMSA-N 1 2 357.498 2.187 20 30 FEEDLO C[C@H](CCO)[N@H+](CCS(=O)(=O)c1ccc(C#N)cn1)Cc1ccccc1 ZINC000289956870 552405495 /nfs/dbraw/zinc/40/54/95/552405495.db2.gz POWSZCIYKRRFOB-MRXNPFEDSA-N 1 2 373.478 2.000 20 30 FEEDLO C[C@H](CCO)[N@@H+](CCS(=O)(=O)c1ccc(C#N)cn1)Cc1ccccc1 ZINC000289956870 552405497 /nfs/dbraw/zinc/40/54/97/552405497.db2.gz POWSZCIYKRRFOB-MRXNPFEDSA-N 1 2 373.478 2.000 20 30 FEEDLO CC1CCN(c2ccc(CNS(=O)(=O)c3cncc(C#N)c3)c[nH+]2)CC1 ZINC000289995891 552411272 /nfs/dbraw/zinc/41/12/72/552411272.db2.gz YPVFTKZHWPIDIG-UHFFFAOYSA-N 1 2 371.466 2.063 20 30 FEEDLO Cc1nc(C)c([C@@H](C)[N@H+](C)CCS(=O)(=O)c2ccc(C#N)cn2)s1 ZINC000290271174 552452040 /nfs/dbraw/zinc/45/20/40/552452040.db2.gz LMZZLJYPRMJQGE-GFCCVEGCSA-N 1 2 364.496 2.493 20 30 FEEDLO Cc1nc(C)c([C@@H](C)[N@@H+](C)CCS(=O)(=O)c2ccc(C#N)cn2)s1 ZINC000290271174 552452042 /nfs/dbraw/zinc/45/20/42/552452042.db2.gz LMZZLJYPRMJQGE-GFCCVEGCSA-N 1 2 364.496 2.493 20 30 FEEDLO N#Cc1cccc(OC2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)c1 ZINC000290529283 552493134 /nfs/dbraw/zinc/49/31/34/552493134.db2.gz HCPSZVLZOKEVNK-UHFFFAOYSA-N 1 2 365.437 2.233 20 30 FEEDLO N#Cc1cccc(OC2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)c1 ZINC000290529283 552493136 /nfs/dbraw/zinc/49/31/36/552493136.db2.gz HCPSZVLZOKEVNK-UHFFFAOYSA-N 1 2 365.437 2.233 20 30 FEEDLO CCOc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292172277 552701049 /nfs/dbraw/zinc/70/10/49/552701049.db2.gz LYZIOCVTMZXFOI-MRXNPFEDSA-N 1 2 366.421 2.444 20 30 FEEDLO CCOc1ccccc1NC(=O)C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292172277 552701050 /nfs/dbraw/zinc/70/10/50/552701050.db2.gz LYZIOCVTMZXFOI-MRXNPFEDSA-N 1 2 366.421 2.444 20 30 FEEDLO COC(=O)c1ccc(CN(CCC#N)CC[NH+]2CCOCC2)cc1Cl ZINC000295032489 552952585 /nfs/dbraw/zinc/95/25/85/552952585.db2.gz NFPVVWIJYSVAFP-UHFFFAOYSA-N 1 2 365.861 2.174 20 30 FEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](CC(C)(C)C(N)=O)C1 ZINC000295755336 553054762 /nfs/dbraw/zinc/05/47/62/553054762.db2.gz XOHJIVZOZYNHRT-RDJZCZTQSA-N 1 2 357.454 2.386 20 30 FEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](CC(C)(C)C(N)=O)C1 ZINC000295755336 553054764 /nfs/dbraw/zinc/05/47/64/553054764.db2.gz XOHJIVZOZYNHRT-RDJZCZTQSA-N 1 2 357.454 2.386 20 30 FEEDLO COc1ccc(C[NH+]2CCN(c3ncc(C#N)cc3[N+](=O)[O-])CC2)cc1F ZINC000296290896 553135995 /nfs/dbraw/zinc/13/59/95/553135995.db2.gz HUTYHODTARRXPO-UHFFFAOYSA-N 1 2 371.372 2.331 20 30 FEEDLO Cc1nsc(NC(=O)NCc2ccccc2C[NH+]2CCOCC2)c1C#N ZINC000297474636 553297288 /nfs/dbraw/zinc/29/72/88/553297288.db2.gz ROJNDLZCMNYEAM-UHFFFAOYSA-N 1 2 371.466 2.477 20 30 FEEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)[C@@H](C)OCc2ccccc2C)c1C#N ZINC000600815083 553317971 /nfs/dbraw/zinc/31/79/71/553317971.db2.gz NXULRVJVANMFGC-CQSZACIVSA-N 1 2 355.442 2.286 20 30 FEEDLO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CCCN(C=O)CC2)ccc1Cl ZINC000297805966 553341426 /nfs/dbraw/zinc/34/14/26/553341426.db2.gz XTNYSTKVUWSDMV-UHFFFAOYSA-N 1 2 362.861 2.059 20 30 FEEDLO Cc1cc(N(CCC#N)C(=O)C[N@H+]2CCCN(C=O)CC2)ccc1Cl ZINC000297805966 553341428 /nfs/dbraw/zinc/34/14/28/553341428.db2.gz XTNYSTKVUWSDMV-UHFFFAOYSA-N 1 2 362.861 2.059 20 30 FEEDLO C[C@@H]1CN(c2ccc(CNc3cc(C#N)nc(C4CC4)n3)c[nH+]2)CCO1 ZINC000601104774 553348029 /nfs/dbraw/zinc/34/80/29/553348029.db2.gz GOJLPFYADZVWLK-CYBMUJFWSA-N 1 2 350.426 2.458 20 30 FEEDLO COC(=O)C1CC[NH+]([C@H](C)C(=O)N(CCC#N)c2ccccc2OC)CC1 ZINC000298087864 553382424 /nfs/dbraw/zinc/38/24/24/553382424.db2.gz PTSGUBDMMOMUOT-OAHLLOKOSA-N 1 2 373.453 2.215 20 30 FEEDLO C=CC[N@H+](Cc1ccccc1)[C@@H](C)C(=O)N(CC)[C@@H]1CCS(=O)(=O)C1 ZINC000298291304 553408764 /nfs/dbraw/zinc/40/87/64/553408764.db2.gz HHZLWCISSBCQOV-FUHWJXTLSA-N 1 2 364.511 2.099 20 30 FEEDLO C=CC[N@@H+](Cc1ccccc1)[C@@H](C)C(=O)N(CC)[C@@H]1CCS(=O)(=O)C1 ZINC000298291304 553408767 /nfs/dbraw/zinc/40/87/67/553408767.db2.gz HHZLWCISSBCQOV-FUHWJXTLSA-N 1 2 364.511 2.099 20 30 FEEDLO C[C@H]([NH2+][C@H]1CCN(c2sccc2C#N)C1=O)c1nnc2ccccn21 ZINC000299121275 553518031 /nfs/dbraw/zinc/51/80/31/553518031.db2.gz VTZHJWXMTHTDBR-AAEUAGOBSA-N 1 2 352.423 2.119 20 30 FEEDLO Cc1cc(N)nc(SCCCC(=O)ONC(=N)c2cccs2)[nH+]1 ZINC000299268723 553540003 /nfs/dbraw/zinc/54/00/03/553540003.db2.gz AHRPPSAMZGRBQT-UHFFFAOYSA-N 1 2 351.457 2.165 20 30 FEEDLO Cn1cccc1C(=O)C[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000299599358 553586909 /nfs/dbraw/zinc/58/69/09/553586909.db2.gz FNIAMWJNJHUMJQ-UHFFFAOYSA-N 1 2 350.422 2.430 20 30 FEEDLO CC(C)(C)n1ncc2c1nc[nH+]c2N1CCN(c2ncccc2C#N)CC1 ZINC000301151161 553625792 /nfs/dbraw/zinc/62/57/92/553625792.db2.gz ABOSLCXGVBQRRP-UHFFFAOYSA-N 1 2 362.441 2.175 20 30 FEEDLO C#CCNC(=O)c1ccc(NC[C@H](c2c(F)cccc2F)[NH+](C)C)nc1 ZINC000301260539 553636901 /nfs/dbraw/zinc/63/69/01/553636901.db2.gz FIAJCGZEQHUXMP-MRXNPFEDSA-N 1 2 358.392 2.438 20 30 FEEDLO CC[N@H+](Cc1noc(C)n1)[C@@H]1CCCN(C(=O)NC[C@@H]2CCCO2)CC1 ZINC000328622525 553797779 /nfs/dbraw/zinc/79/77/79/553797779.db2.gz BHEXVQKLTQWHAF-CVEARBPZSA-N 1 2 365.478 2.147 20 30 FEEDLO CC[N@@H+](Cc1noc(C)n1)[C@@H]1CCCN(C(=O)NC[C@@H]2CCCO2)CC1 ZINC000328622525 553797781 /nfs/dbraw/zinc/79/77/81/553797781.db2.gz BHEXVQKLTQWHAF-CVEARBPZSA-N 1 2 365.478 2.147 20 30 FEEDLO Cn1cc(C[NH+]2CCN(C(=O)NC[C@@H]3CCCC(F)(F)C3)CC2)cn1 ZINC000328688539 553807138 /nfs/dbraw/zinc/80/71/38/553807138.db2.gz CRDAYVIJBCNMCK-CQSZACIVSA-N 1 2 355.433 2.277 20 30 FEEDLO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(Cc2ncnn2C(C)(C)C)CC1 ZINC000328698481 553808921 /nfs/dbraw/zinc/80/89/21/553808921.db2.gz VBSCATSMHCFLEG-OAHLLOKOSA-N 1 2 362.522 2.438 20 30 FEEDLO Cc1nc(C[NH+]2CCC(CNC(=O)[C@@H]3CCc4[nH]nnc4C3)CC2)oc1C ZINC000328763571 553818593 /nfs/dbraw/zinc/81/85/93/553818593.db2.gz FVFFDTKTTWCSME-OAHLLOKOSA-N 1 2 372.473 2.383 20 30 FEEDLO Cc1nc(C[NH+]2CCC(CNC(=O)[C@@H]3CCc4nn[nH]c4C3)CC2)oc1C ZINC000328763571 553818597 /nfs/dbraw/zinc/81/85/97/553818597.db2.gz FVFFDTKTTWCSME-OAHLLOKOSA-N 1 2 372.473 2.383 20 30 FEEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)N[C@@H]2CCCC23CCOCC3)CCO1 ZINC000328781808 553821312 /nfs/dbraw/zinc/82/13/12/553821312.db2.gz HMVFGVWZTMMEBH-HYVNUMGLSA-N 1 2 362.474 2.493 20 30 FEEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)NCCc3ccc4ccccc4n3)C[C@H]21 ZINC000328846911 553831759 /nfs/dbraw/zinc/83/17/59/553831759.db2.gz AOIZXNXFKSVVAL-RTBURBONSA-N 1 2 354.454 2.096 20 30 FEEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)NCCc3ccc4ccccc4n3)C[C@H]21 ZINC000328846911 553831761 /nfs/dbraw/zinc/83/17/61/553831761.db2.gz AOIZXNXFKSVVAL-RTBURBONSA-N 1 2 354.454 2.096 20 30 FEEDLO COC1(C(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)CCOCC1 ZINC000328852511 553832958 /nfs/dbraw/zinc/83/29/58/553832958.db2.gz IUXFRKCPGMBICA-GASCZTMLSA-N 1 2 363.458 2.347 20 30 FEEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)NCc3cc(-c4ccccc4)no3)C[C@H]21 ZINC000328890039 553839551 /nfs/dbraw/zinc/83/95/51/553839551.db2.gz RJUMKAXIQNJLAQ-QZTJIDSGSA-N 1 2 356.426 2.161 20 30 FEEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)NCc3cc(-c4ccccc4)no3)C[C@H]21 ZINC000328890039 553839552 /nfs/dbraw/zinc/83/95/52/553839552.db2.gz RJUMKAXIQNJLAQ-QZTJIDSGSA-N 1 2 356.426 2.161 20 30 FEEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)C3CCC(NC(=O)C(C)(C)C)CC3)C[C@@H]21 ZINC000328900581 553841407 /nfs/dbraw/zinc/84/14/07/553841407.db2.gz YCURNTQYIJRCFK-SJJHQCBESA-N 1 2 365.518 2.479 20 30 FEEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)C3CCC(NC(=O)C(C)(C)C)CC3)C[C@@H]21 ZINC000328900581 553841409 /nfs/dbraw/zinc/84/14/09/553841409.db2.gz YCURNTQYIJRCFK-SJJHQCBESA-N 1 2 365.518 2.479 20 30 FEEDLO C[N@@H+]1CC[C@H](NC(=O)N2CC[C@H](CCO)C2)[C@H]1c1ccc(F)c(F)c1 ZINC000328952351 553851955 /nfs/dbraw/zinc/85/19/55/553851955.db2.gz NUHZAADFBVYMNX-OAUYIBNBSA-N 1 2 353.413 2.328 20 30 FEEDLO C[N@H+]1CC[C@H](NC(=O)N2CC[C@H](CCO)C2)[C@H]1c1ccc(F)c(F)c1 ZINC000328952351 553851957 /nfs/dbraw/zinc/85/19/57/553851957.db2.gz NUHZAADFBVYMNX-OAUYIBNBSA-N 1 2 353.413 2.328 20 30 FEEDLO CC(C)Cn1ncc(NC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)c1C(F)F ZINC000329004238 553862775 /nfs/dbraw/zinc/86/27/75/553862775.db2.gz YHGSITFGXVDMEM-KBPBESRZSA-N 1 2 371.432 2.427 20 30 FEEDLO CC(C)Cn1ncc(NC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)c1C(F)F ZINC000329004238 553862777 /nfs/dbraw/zinc/86/27/77/553862777.db2.gz YHGSITFGXVDMEM-KBPBESRZSA-N 1 2 371.432 2.427 20 30 FEEDLO Cn1cc[nH+]c1[C@H](NC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)C1CCOCC1 ZINC000329086196 553877939 /nfs/dbraw/zinc/87/79/39/553877939.db2.gz UQAFXNUYEWSUIO-HZMVEIRTSA-N 1 2 374.485 2.349 20 30 FEEDLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)N[C@@H]1CCO[C@]2(CCOC2)C1 ZINC000329115353 553883052 /nfs/dbraw/zinc/88/30/52/553883052.db2.gz MQMPMNQWEITDSY-UYAOXDASSA-N 1 2 370.453 2.273 20 30 FEEDLO C=CCNC(=O)C[NH+]1CCN(Cc2cc(C)ccc2OC(F)F)CC1 ZINC000506283451 561694815 /nfs/dbraw/zinc/69/48/15/561694815.db2.gz RHSJMQAOEYJGTC-UHFFFAOYSA-N 1 2 353.413 2.016 20 30 FEEDLO C=CCNC(=O)CN1CC[NH+](Cc2cc(C)ccc2OC(F)F)CC1 ZINC000506283451 561694816 /nfs/dbraw/zinc/69/48/16/561694816.db2.gz RHSJMQAOEYJGTC-UHFFFAOYSA-N 1 2 353.413 2.016 20 30 FEEDLO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[N@@H+]1CCCN(c2ccc(C)nn2)CC1 ZINC000329173649 553895742 /nfs/dbraw/zinc/89/57/42/553895742.db2.gz LPDGPCCCFFNIMW-MRXNPFEDSA-N 1 2 371.489 2.324 20 30 FEEDLO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[N@H+]1CCCN(c2ccc(C)nn2)CC1 ZINC000329173649 553895743 /nfs/dbraw/zinc/89/57/43/553895743.db2.gz LPDGPCCCFFNIMW-MRXNPFEDSA-N 1 2 371.489 2.324 20 30 FEEDLO CCN1CCOC[C@@H]1C(=O)NC[C@H](c1ccc(C)s1)[NH+]1CCOCC1 ZINC000329183338 553897170 /nfs/dbraw/zinc/89/71/70/553897170.db2.gz FPBRCCJXOQMGEP-HZPDHXFCSA-N 1 2 367.515 2.107 20 30 FEEDLO O=C(NC[C@H](c1ccccc1)[NH+]1CCOCC1)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000329220269 553905481 /nfs/dbraw/zinc/90/54/81/553905481.db2.gz BFOYQRBCCOOVKQ-KZNAEPCWSA-N 1 2 372.469 2.025 20 30 FEEDLO Cn1c[nH+]cc1[C@H]1[C@H](NC(=O)N[C@@H]2CC[C@H](F)C2)CCC(=O)N1C1CC1 ZINC000329253901 553911774 /nfs/dbraw/zinc/91/17/74/553911774.db2.gz ZLTRWFPSCLOQCK-HSTIPLNKSA-N 1 2 363.437 2.009 20 30 FEEDLO C[NH+]1CCN(C(=O)c2cc(NC(=O)NCC3(C)CCCC3)ccn2)CC1 ZINC000329256827 553912503 /nfs/dbraw/zinc/91/25/03/553912503.db2.gz BQRNXTSTEPNRCD-UHFFFAOYSA-N 1 2 359.474 2.375 20 30 FEEDLO Cc1cn2c([nH+]1)[C@H](CNC([O-])=[NH+][C@H]1CCc3nnc(C(C)C)n3C1)CCC2 ZINC000329364004 553932311 /nfs/dbraw/zinc/93/23/11/553932311.db2.gz ZVZGGNSVCWSFOY-GJZGRUSLSA-N 1 2 371.489 2.302 20 30 FEEDLO Cc1cn2c([nH+]1)[C@H](C[NH+]=C([O-])N[C@H]1CCc3nnc(C(C)C)n3C1)CCC2 ZINC000329364004 553932314 /nfs/dbraw/zinc/93/23/14/553932314.db2.gz ZVZGGNSVCWSFOY-GJZGRUSLSA-N 1 2 371.489 2.302 20 30 FEEDLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000329369801 553933789 /nfs/dbraw/zinc/93/37/89/553933789.db2.gz LRGDPSKMGZWFDQ-IAGOWNOFSA-N 1 2 353.426 2.396 20 30 FEEDLO CCn1cc[nH+]c1[C@H](NC(=O)N1CCOCC2(CC2)C1)C1CCOCC1 ZINC000329377152 553934878 /nfs/dbraw/zinc/93/48/78/553934878.db2.gz LWWKFDXCDXBGBM-MRXNPFEDSA-N 1 2 362.474 2.397 20 30 FEEDLO C[NH+]1CCN(C(=O)c2cc(NC(=O)N3Cc4ccccc4C3)ccn2)CC1 ZINC000329398681 553939319 /nfs/dbraw/zinc/93/93/19/553939319.db2.gz AKJOOEYARBRTAA-UHFFFAOYSA-N 1 2 365.437 2.031 20 30 FEEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)c1ccc(-n3cncn3)nc1)C2 ZINC000329408581 553940480 /nfs/dbraw/zinc/94/04/80/553940480.db2.gz ZXTYXGLTGJVQOJ-AWEZNQCLSA-N 1 2 365.441 2.476 20 30 FEEDLO O=C(C[N@@H+]1CCN2CCOC[C@H]2C1)NCc1ccccc1OC1CCCC1 ZINC000329408687 553941353 /nfs/dbraw/zinc/94/13/53/553941353.db2.gz DGFHVCSPSPANRC-GOSISDBHSA-N 1 2 373.497 2.481 20 30 FEEDLO O=C(C[N@H+]1CCN2CCOC[C@H]2C1)NCc1ccccc1OC1CCCC1 ZINC000329408687 553941355 /nfs/dbraw/zinc/94/13/55/553941355.db2.gz DGFHVCSPSPANRC-GOSISDBHSA-N 1 2 373.497 2.481 20 30 FEEDLO O=C(NC[C@@H]1CC(=O)N(Cc2ccccc2)C1)C1([NH+]2CCOCC2)CCC1 ZINC000329491697 553957285 /nfs/dbraw/zinc/95/72/85/553957285.db2.gz ZKUFELXCHLMXRO-SFHVURJKSA-N 1 2 371.481 2.247 20 30 FEEDLO CC[C@@H]1C[C@@H](C(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)CCO1 ZINC000329513313 553960036 /nfs/dbraw/zinc/96/00/36/553960036.db2.gz NTTOSSLFRISKTO-DLBZAZTESA-N 1 2 351.491 2.092 20 30 FEEDLO C[N@@H+](CC(=O)N[C@@H]1CCCc2ccccc21)C[C@@H]1CCS(=O)(=O)C1 ZINC000329603969 553974882 /nfs/dbraw/zinc/97/48/82/553974882.db2.gz YRINLKMGTOZGRY-WMLDXEAASA-N 1 2 350.484 2.387 20 30 FEEDLO C[N@H+](CC(=O)N[C@@H]1CCCc2ccccc21)C[C@@H]1CCS(=O)(=O)C1 ZINC000329603969 553974886 /nfs/dbraw/zinc/97/48/86/553974886.db2.gz YRINLKMGTOZGRY-WMLDXEAASA-N 1 2 350.484 2.387 20 30 FEEDLO C[C@]1(C(=O)NCC(=O)NCC[NH+]2CCOCC2)CCc2ccccc2C1 ZINC000329625161 553978983 /nfs/dbraw/zinc/97/89/83/553978983.db2.gz OMSLEYGZBLZWHU-FQEVSTJZSA-N 1 2 359.470 2.427 20 30 FEEDLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)c1cccc2nccnc21 ZINC000329693673 553990233 /nfs/dbraw/zinc/99/02/33/553990233.db2.gz WUHQYKMPRAMUCE-SFHVURJKSA-N 1 2 358.467 2.142 20 30 FEEDLO CCC[C@H]1CCCCN1C(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000329814074 554011035 /nfs/dbraw/zinc/01/10/35/554011035.db2.gz DNSQFOIJQABATQ-SFHVURJKSA-N 1 2 364.534 2.499 20 30 FEEDLO Cc1ccc2c(c1C)OC[C@@H]2NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000329822983 554013048 /nfs/dbraw/zinc/01/30/48/554013048.db2.gz ZJCWFFTZXJCJTG-AEFFLSMTSA-N 1 2 359.470 2.448 20 30 FEEDLO C[C@@H](C(=O)Nc1ccc2c(c1)OC(F)(F)O2)[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000329870879 554022614 /nfs/dbraw/zinc/02/26/14/554022614.db2.gz AIEUXICSKINBFW-MEDUHNTESA-N 1 2 370.352 2.476 20 30 FEEDLO C[C@@H](C(=O)Nc1ccc2c(c1)OC(F)(F)O2)[N@H+]1CCO[C@]2(CCOC2)C1 ZINC000329870879 554022617 /nfs/dbraw/zinc/02/26/17/554022617.db2.gz AIEUXICSKINBFW-MEDUHNTESA-N 1 2 370.352 2.476 20 30 FEEDLO C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@@H+]1CCO[C@]2(CCO[C@H]2C)C1 ZINC000329895054 554026125 /nfs/dbraw/zinc/02/61/25/554026125.db2.gz BTMWCGZVORUXHS-QWQRMKEZSA-N 1 2 353.463 2.458 20 30 FEEDLO C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@H+]1CCO[C@]2(CCO[C@H]2C)C1 ZINC000329895054 554026128 /nfs/dbraw/zinc/02/61/28/554026128.db2.gz BTMWCGZVORUXHS-QWQRMKEZSA-N 1 2 353.463 2.458 20 30 FEEDLO O=C(NCc1cn2c([nH+]1)CCCC2)N[C@@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000329905230 554028476 /nfs/dbraw/zinc/02/84/76/554028476.db2.gz AOSXHDSDSQBVKH-MRXNPFEDSA-N 1 2 373.501 2.404 20 30 FEEDLO C[C@@H]1C[N@H+](CC(=O)NC(=O)Nc2ccc3c(c2)OCO3)C[C@@H](C2CC2)O1 ZINC000329929011 554033442 /nfs/dbraw/zinc/03/34/42/554033442.db2.gz YKQIYPXNUATTLW-BZNIZROVSA-N 1 2 361.398 2.417 20 30 FEEDLO C[C@@H]1C[N@@H+](CC(=O)NC(=O)Nc2ccc3c(c2)OCO3)C[C@@H](C2CC2)O1 ZINC000329929011 554033445 /nfs/dbraw/zinc/03/34/45/554033445.db2.gz YKQIYPXNUATTLW-BZNIZROVSA-N 1 2 361.398 2.417 20 30 FEEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)Nc3cccc(Cl)c3-n3cccn3)C[C@H]21 ZINC000329989883 554045058 /nfs/dbraw/zinc/04/50/58/554045058.db2.gz VPHPAGQLJANPEA-HUUCEWRRSA-N 1 2 361.833 2.086 20 30 FEEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)Nc3cccc(Cl)c3-n3cccn3)C[C@H]21 ZINC000329989883 554045060 /nfs/dbraw/zinc/04/50/60/554045060.db2.gz VPHPAGQLJANPEA-HUUCEWRRSA-N 1 2 361.833 2.086 20 30 FEEDLO O=C(NCc1ccn2cc[nH+]c2c1)N1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000330027467 554052129 /nfs/dbraw/zinc/05/21/29/554052129.db2.gz NDXCJJNCOXTSDQ-INIZCTEOSA-N 1 2 355.442 2.083 20 30 FEEDLO C=CCn1c(-c2ccc(C)cc2)nnc1S(=O)(=O)Cc1c[nH+]cn1C ZINC000507493700 561730820 /nfs/dbraw/zinc/73/08/20/561730820.db2.gz UTKWAUCSPDKEDE-UHFFFAOYSA-N 1 2 357.439 2.147 20 30 FEEDLO CN(C)C(=O)c1cccc(NC(=O)N[C@H]2CCO[C@H](c3c[nH+]cn3C)C2)c1 ZINC000330066701 554058071 /nfs/dbraw/zinc/05/80/71/554058071.db2.gz TVNLAVGGUZAMEI-RDJZCZTQSA-N 1 2 371.441 2.177 20 30 FEEDLO C[N@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)N[C@H]2CCCC(F)(F)C2)C1 ZINC000330068678 554058381 /nfs/dbraw/zinc/05/83/81/554058381.db2.gz VQIDOBOFGHZKLD-UONOGXRCSA-N 1 2 353.417 2.475 20 30 FEEDLO C[N@@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)N[C@H]2CCCC(F)(F)C2)C1 ZINC000330068678 554058385 /nfs/dbraw/zinc/05/83/85/554058385.db2.gz VQIDOBOFGHZKLD-UONOGXRCSA-N 1 2 353.417 2.475 20 30 FEEDLO C[C@H]([C@H](C)NC(=O)NC[C@H]1CCO[C@@H]1c1ccccc1)[NH+]1CCOCC1 ZINC000330148074 554073963 /nfs/dbraw/zinc/07/39/63/554073963.db2.gz MCGWNCBBUGCWMB-QFHJOOASSA-N 1 2 361.486 2.377 20 30 FEEDLO Cc1nn(C)c(C)c1NC(=O)[C@H](C)[NH+]1CCC(Oc2cnccn2)CC1 ZINC000330198665 554083676 /nfs/dbraw/zinc/08/36/76/554083676.db2.gz UJLOHYRGUKYPGE-AWEZNQCLSA-N 1 2 358.446 2.347 20 30 FEEDLO CC(C)N1C[C@H]([NH+]=C([O-])N[C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)CC1=O ZINC000330251381 554093288 /nfs/dbraw/zinc/09/32/88/554093288.db2.gz NNXGLCYLITWOHB-ZIAGYGMSSA-N 1 2 361.490 2.008 20 30 FEEDLO CC(C)N1C[C@H](NC([O-])=[NH+][C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)CC1=O ZINC000330251381 554093290 /nfs/dbraw/zinc/09/32/90/554093290.db2.gz NNXGLCYLITWOHB-ZIAGYGMSSA-N 1 2 361.490 2.008 20 30 FEEDLO CC(=O)[C@H](NC(=O)C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1)C(C)C ZINC000507862091 561743765 /nfs/dbraw/zinc/74/37/65/561743765.db2.gz RRHOPYHUJBWVPV-HXUWFJFHSA-N 1 2 357.454 2.131 20 30 FEEDLO CCOc1ccc(NC(=O)N2CCN(C)[C@H](c3[nH+]ccn3C)C2)cc1F ZINC000330356450 554110899 /nfs/dbraw/zinc/11/08/99/554110899.db2.gz RPIQQWLIBDGEEW-HNNXBMFYSA-N 1 2 361.421 2.492 20 30 FEEDLO CC(C)(C)OC(=O)C1CCN(C(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000330493988 554128737 /nfs/dbraw/zinc/12/87/37/554128737.db2.gz RUBCJPFCOHRCDZ-UHFFFAOYSA-N 1 2 369.506 2.065 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000330868483 554180934 /nfs/dbraw/zinc/18/09/34/554180934.db2.gz DVKMNPHQDRKSEX-HLIPFELVSA-N 1 2 357.502 2.203 20 30 FEEDLO C[C@H](CCNC(=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1C)[S@](C)=O ZINC000331131311 554218695 /nfs/dbraw/zinc/21/86/95/554218695.db2.gz SMQUXYFSSCVXSI-JOWJHRDDSA-N 1 2 351.516 2.264 20 30 FEEDLO C[C@H](CCNC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[S@](C)=O ZINC000331131311 554218697 /nfs/dbraw/zinc/21/86/97/554218697.db2.gz SMQUXYFSSCVXSI-JOWJHRDDSA-N 1 2 351.516 2.264 20 30 FEEDLO CC(C)CNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000331159310 554223764 /nfs/dbraw/zinc/22/37/64/554223764.db2.gz QNEICFDWWTUKRI-UONOGXRCSA-N 1 2 366.437 2.139 20 30 FEEDLO CC(C)CNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000331159310 554223767 /nfs/dbraw/zinc/22/37/67/554223767.db2.gz QNEICFDWWTUKRI-UONOGXRCSA-N 1 2 366.437 2.139 20 30 FEEDLO Cc1cc(C)c(Br)c(C(=O)N[C@H](CO)C[NH+]2CCOCC2)c1 ZINC000331238647 554234569 /nfs/dbraw/zinc/23/45/69/554234569.db2.gz IUGBUWBHUXKKMA-ZDUSSCGKSA-N 1 2 371.275 2.064 20 30 FEEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000331730376 554317345 /nfs/dbraw/zinc/31/73/45/554317345.db2.gz OZSZROSVRFHWHW-QZTJIDSGSA-N 1 2 355.438 2.107 20 30 FEEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000331730376 554317350 /nfs/dbraw/zinc/31/73/50/554317350.db2.gz OZSZROSVRFHWHW-QZTJIDSGSA-N 1 2 355.438 2.107 20 30 FEEDLO CN(Cc1cn2c([nH+]1)CCCC2)S(=O)(=O)CC1(C#N)CCCCC1 ZINC000331891100 554340433 /nfs/dbraw/zinc/34/04/33/554340433.db2.gz DSPXFWOWVVVKEU-UHFFFAOYSA-N 1 2 350.488 2.455 20 30 FEEDLO CN(C(=O)CN1CC[NH+](Cc2cccc(C#N)c2)CC1)C1CCCCC1 ZINC000332005309 554361337 /nfs/dbraw/zinc/36/13/37/554361337.db2.gz RVKRCSGWSCYOLX-UHFFFAOYSA-N 1 2 354.498 2.467 20 30 FEEDLO CN(C(=O)C[NH+]1CCN(Cc2cccc(C#N)c2)CC1)C1CCCCC1 ZINC000332005309 554361340 /nfs/dbraw/zinc/36/13/40/554361340.db2.gz RVKRCSGWSCYOLX-UHFFFAOYSA-N 1 2 354.498 2.467 20 30 FEEDLO C=C(C)CS(=O)(=O)N1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000332221101 554403794 /nfs/dbraw/zinc/40/37/94/554403794.db2.gz JEENIDVZMWWEJP-UHFFFAOYSA-N 1 2 368.890 2.011 20 30 FEEDLO C=CCN1C(=O)N([C@@H]2CCc3[nH+]c[nH]c3C2)C(=O)[C@@H]1Cc1ccccc1 ZINC000348987527 554707844 /nfs/dbraw/zinc/70/78/44/554707844.db2.gz PIXFJXLHDWMSEG-QAPCUYQASA-N 1 2 350.422 2.329 20 30 FEEDLO C=CCN1C(=O)N([C@@H]2CCc3[nH]c[nH+]c3C2)C(=O)[C@@H]1Cc1ccccc1 ZINC000348987527 554707846 /nfs/dbraw/zinc/70/78/46/554707846.db2.gz PIXFJXLHDWMSEG-QAPCUYQASA-N 1 2 350.422 2.329 20 30 FEEDLO Cc1nn(CCC#N)c(C)c1CCc1nc([C@H]2C[N@H+](C(C)C)CCO2)no1 ZINC000349858969 554746766 /nfs/dbraw/zinc/74/67/66/554746766.db2.gz IURZGDPVMSQSMU-QGZVFWFLSA-N 1 2 372.473 2.364 20 30 FEEDLO Cc1nn(CCC#N)c(C)c1CCc1nc([C@H]2C[N@@H+](C(C)C)CCO2)no1 ZINC000349858969 554746767 /nfs/dbraw/zinc/74/67/67/554746767.db2.gz IURZGDPVMSQSMU-QGZVFWFLSA-N 1 2 372.473 2.364 20 30 FEEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CCCN(Cc2ccccc2F)CC1)C1CC1 ZINC000360157320 554865282 /nfs/dbraw/zinc/86/52/82/554865282.db2.gz HPPGYJDAZSAUSK-HXUWFJFHSA-N 1 2 358.461 2.142 20 30 FEEDLO C[C@](C#N)(NC(=O)C[N@H+]1CCCN(Cc2ccccc2F)CC1)C1CC1 ZINC000360157320 554865285 /nfs/dbraw/zinc/86/52/85/554865285.db2.gz HPPGYJDAZSAUSK-HXUWFJFHSA-N 1 2 358.461 2.142 20 30 FEEDLO Cc1[nH+]c2ccccn2c1[C@@H]1C(=O)NCCN1Cc1ccc(C#N)s1 ZINC000362377112 554967735 /nfs/dbraw/zinc/96/77/35/554967735.db2.gz VVSRXYRAJQKYDW-QGZVFWFLSA-N 1 2 351.435 2.249 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@H](c3ccncn3)C2)cc1 ZINC000363430085 555103887 /nfs/dbraw/zinc/10/38/87/555103887.db2.gz VLVMDFPWVCEPEY-INIZCTEOSA-N 1 2 356.451 2.002 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@H](c3ccncn3)C2)cc1 ZINC000363430085 555103889 /nfs/dbraw/zinc/10/38/89/555103889.db2.gz VLVMDFPWVCEPEY-INIZCTEOSA-N 1 2 356.451 2.002 20 30 FEEDLO C#CCC1(C(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)CCCCC1 ZINC000364434927 555313427 /nfs/dbraw/zinc/31/34/27/555313427.db2.gz XBJIDZVSRAIISP-UHFFFAOYSA-N 1 2 359.514 2.117 20 30 FEEDLO C#CCC1(C(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)CCCCC1 ZINC000364434927 555313428 /nfs/dbraw/zinc/31/34/28/555313428.db2.gz XBJIDZVSRAIISP-UHFFFAOYSA-N 1 2 359.514 2.117 20 30 FEEDLO N#Cc1ccc(C(F)(F)F)nc1NC[C@@]1([NH+]2CCOCC2)CCCOC1 ZINC000364439114 555314614 /nfs/dbraw/zinc/31/46/14/555314614.db2.gz TWVAZHVUEAMHCS-INIZCTEOSA-N 1 2 370.375 2.265 20 30 FEEDLO Cc1nc(C[N@@H+](C)[C@H]2CCCN(c3ncc([N+](=O)[O-])cc3C#N)CC2)no1 ZINC000364665902 555368064 /nfs/dbraw/zinc/36/80/64/555368064.db2.gz UTCZULJNSFCQJY-AWEZNQCLSA-N 1 2 371.401 2.044 20 30 FEEDLO Cc1nc(C[N@H+](C)[C@H]2CCCN(c3ncc([N+](=O)[O-])cc3C#N)CC2)no1 ZINC000364665902 555368066 /nfs/dbraw/zinc/36/80/66/555368066.db2.gz UTCZULJNSFCQJY-AWEZNQCLSA-N 1 2 371.401 2.044 20 30 FEEDLO Cc1nc(C[N@@H+](C)[C@@H]2CCCN(C(=O)c3ccc(C#N)c(C)n3)CC2)no1 ZINC000364702508 555378909 /nfs/dbraw/zinc/37/89/09/555378909.db2.gz YTCSLTFJFPHBPT-MRXNPFEDSA-N 1 2 368.441 2.080 20 30 FEEDLO Cc1nc(C[N@H+](C)[C@@H]2CCCN(C(=O)c3ccc(C#N)c(C)n3)CC2)no1 ZINC000364702508 555378914 /nfs/dbraw/zinc/37/89/14/555378914.db2.gz YTCSLTFJFPHBPT-MRXNPFEDSA-N 1 2 368.441 2.080 20 30 FEEDLO N#CCCN(C(=O)C[N@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O)c1cccc(Cl)c1 ZINC000364957801 555449931 /nfs/dbraw/zinc/44/99/31/555449931.db2.gz VZGPRBBYXIVOMK-OWQGQXMQSA-N 1 2 374.872 2.172 20 30 FEEDLO N#CCCN(C(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O)c1cccc(Cl)c1 ZINC000364957801 555449934 /nfs/dbraw/zinc/44/99/34/555449934.db2.gz VZGPRBBYXIVOMK-OWQGQXMQSA-N 1 2 374.872 2.172 20 30 FEEDLO COc1cc(NCc2c[nH+]c3ccc(C#N)cn23)cc(S(C)(=O)=O)c1 ZINC000512977506 561921501 /nfs/dbraw/zinc/92/15/01/561921501.db2.gz NHRKPCZIENOHDQ-UHFFFAOYSA-N 1 2 356.407 2.230 20 30 FEEDLO N#Cc1ccc(C[C@@H](C#N)C(=O)NCc2ccc(-n3cc[nH+]c3)nc2)cc1 ZINC000365304454 555537075 /nfs/dbraw/zinc/53/70/75/555537075.db2.gz IACAKWWKHXIBQR-SFHVURJKSA-N 1 2 356.389 2.138 20 30 FEEDLO C=CCN1CC(=O)N([C@@H](CC)[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1=O ZINC000365333260 555545755 /nfs/dbraw/zinc/54/57/55/555545755.db2.gz WLJIAELUJWVEAB-ZWKOTPCHSA-N 1 2 357.454 2.116 20 30 FEEDLO C=CCN1CC(=O)N([C@@H](CC)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1=O ZINC000365333260 555545759 /nfs/dbraw/zinc/54/57/59/555545759.db2.gz WLJIAELUJWVEAB-ZWKOTPCHSA-N 1 2 357.454 2.116 20 30 FEEDLO Cc1cc(S(=O)(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)ccc1C#N ZINC000365535293 555601929 /nfs/dbraw/zinc/60/19/29/555601929.db2.gz POSUMOKXDRJMDN-OAHLLOKOSA-N 1 2 358.467 2.244 20 30 FEEDLO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C ZINC000365641993 555629431 /nfs/dbraw/zinc/62/94/31/555629431.db2.gz GVYUFUORPDFDBN-POAQFYNOSA-N 1 2 371.481 2.283 20 30 FEEDLO Cc1ccc(N2CCC[C@H](C(=O)N=c3[nH]n(C(C)(C)C)cc3C#N)C2)[nH+]c1 ZINC000365957620 555711138 /nfs/dbraw/zinc/71/11/38/555711138.db2.gz YLLDKWZHQZYFRI-HNNXBMFYSA-N 1 2 366.469 3.068 20 30 FEEDLO C=CCc1cc(CNC(=O)C(C)(C)[NH+]2CCOCC2)cc(OC)c1OC ZINC000513556950 561942630 /nfs/dbraw/zinc/94/26/30/561942630.db2.gz QFLMAQZVANZVMH-UHFFFAOYSA-N 1 2 362.470 2.159 20 30 FEEDLO CC[C@@H]1C[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C[C@]2(CCOC2)O1 ZINC000366579855 555881595 /nfs/dbraw/zinc/88/15/95/555881595.db2.gz XAXNXWIADJJJOR-APWZRJJASA-N 1 2 354.410 2.378 20 30 FEEDLO CC[C@@H]1C[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C[C@]2(CCOC2)O1 ZINC000366579855 555881597 /nfs/dbraw/zinc/88/15/97/555881597.db2.gz XAXNXWIADJJJOR-APWZRJJASA-N 1 2 354.410 2.378 20 30 FEEDLO COc1cc[nH+]cc1CNC(=O)N1CCCN(c2ccc(C#N)cc2)CC1 ZINC000366590769 555884809 /nfs/dbraw/zinc/88/48/09/555884809.db2.gz ZDZKKBSKYNZQJT-UHFFFAOYSA-N 1 2 365.437 2.384 20 30 FEEDLO C#CCCS(=O)(=O)N[C@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000367455462 556054911 /nfs/dbraw/zinc/05/49/11/556054911.db2.gz GTMIIDSFUPWWCD-IRXDYDNUSA-N 1 2 356.438 2.431 20 30 FEEDLO C#CCCS(=O)(=O)N[C@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000367455462 556054914 /nfs/dbraw/zinc/05/49/14/556054914.db2.gz GTMIIDSFUPWWCD-IRXDYDNUSA-N 1 2 356.438 2.431 20 30 FEEDLO CC#CCCCC(=O)N1CC[NH+]([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000367489586 556064799 /nfs/dbraw/zinc/06/47/99/556064799.db2.gz KNAYDTMWNAPEAK-KRWDZBQOSA-N 1 2 363.502 2.334 20 30 FEEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O ZINC000368467016 556318422 /nfs/dbraw/zinc/31/84/22/556318422.db2.gz UHMCLSKTXDCBPR-LTCOOKNTSA-N 1 2 372.444 2.047 20 30 FEEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O ZINC000368467016 556318424 /nfs/dbraw/zinc/31/84/24/556318424.db2.gz UHMCLSKTXDCBPR-LTCOOKNTSA-N 1 2 372.444 2.047 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCN([C@@H]3CCCc4ccccc43)C2=O)C1=O ZINC000368505507 556330047 /nfs/dbraw/zinc/33/00/47/556330047.db2.gz WBXTZGNBGURYGU-HSALFYBXSA-N 1 2 367.493 2.384 20 30 FEEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCN([C@@H]3CCCc4ccccc43)C2=O)C1=O ZINC000368505507 556330048 /nfs/dbraw/zinc/33/00/48/556330048.db2.gz WBXTZGNBGURYGU-HSALFYBXSA-N 1 2 367.493 2.384 20 30 FEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cnc(-c2ccc3c(c2)OCO3)s1 ZINC000515575844 562015663 /nfs/dbraw/zinc/01/56/63/562015663.db2.gz PPTHUTKKZUAFKL-KRWDZBQOSA-N 1 2 358.423 2.112 20 30 FEEDLO CCc1nc([C@@H]2CCC[N@@H+]([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)no1 ZINC000368996523 556471738 /nfs/dbraw/zinc/47/17/38/556471738.db2.gz WFBLTTLXLVGXEW-NVXWUHKLSA-N 1 2 365.437 2.489 20 30 FEEDLO CCc1nc([C@@H]2CCC[N@H+]([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)no1 ZINC000368996523 556471741 /nfs/dbraw/zinc/47/17/41/556471741.db2.gz WFBLTTLXLVGXEW-NVXWUHKLSA-N 1 2 365.437 2.489 20 30 FEEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C2CCC2)C1 ZINC000369066641 556495223 /nfs/dbraw/zinc/49/52/23/556495223.db2.gz SAWDUDXFUJGNEB-FUHWJXTLSA-N 1 2 368.481 2.312 20 30 FEEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C2CCC2)C1 ZINC000369066641 556495224 /nfs/dbraw/zinc/49/52/24/556495224.db2.gz SAWDUDXFUJGNEB-FUHWJXTLSA-N 1 2 368.481 2.312 20 30 FEEDLO Cc1nc(C)n(C[C@H]2CCC[N@@H+]2CC(=O)Nc2oc(C)c(C)c2C#N)n1 ZINC000369278573 556561563 /nfs/dbraw/zinc/56/15/63/556561563.db2.gz ITNNHRLVIFTHEV-OAHLLOKOSA-N 1 2 356.430 2.080 20 30 FEEDLO Cc1nc(C)n(C[C@H]2CCC[N@H+]2CC(=O)Nc2oc(C)c(C)c2C#N)n1 ZINC000369278573 556561567 /nfs/dbraw/zinc/56/15/67/556561567.db2.gz ITNNHRLVIFTHEV-OAHLLOKOSA-N 1 2 356.430 2.080 20 30 FEEDLO CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)C[C@@]2(CCCOC2)O1 ZINC000369549031 556628308 /nfs/dbraw/zinc/62/83/08/556628308.db2.gz HFIKQTKZKJXHAU-SQGPQFPESA-N 1 2 363.502 2.378 20 30 FEEDLO CC[C@@H]1C[N@H+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)C[C@@]2(CCCOC2)O1 ZINC000369549031 556628310 /nfs/dbraw/zinc/62/83/10/556628310.db2.gz HFIKQTKZKJXHAU-SQGPQFPESA-N 1 2 363.502 2.378 20 30 FEEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369684183 556668062 /nfs/dbraw/zinc/66/80/62/556668062.db2.gz RYAUIISZDIAUQV-QGZVFWFLSA-N 1 2 369.381 2.214 20 30 FEEDLO CC1(C)C[N@@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@]2(CCCOC2)O1 ZINC000369786144 556694985 /nfs/dbraw/zinc/69/49/85/556694985.db2.gz DSLUHZPWQGWXLY-RXVVDRJESA-N 1 2 369.465 2.324 20 30 FEEDLO CC1(C)C[N@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@]2(CCCOC2)O1 ZINC000369786144 556694986 /nfs/dbraw/zinc/69/49/86/556694986.db2.gz DSLUHZPWQGWXLY-RXVVDRJESA-N 1 2 369.465 2.324 20 30 FEEDLO N#Cc1ccc(-c2nnc(C[N@H+]3CC[C@H](NC(=O)C4CCC4)C3)o2)cc1 ZINC000369826079 556706277 /nfs/dbraw/zinc/70/62/77/556706277.db2.gz PAQKPZWXWYRIOY-INIZCTEOSA-N 1 2 351.410 2.099 20 30 FEEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3CC[C@H](NC(=O)C4CCC4)C3)o2)cc1 ZINC000369826079 556706278 /nfs/dbraw/zinc/70/62/78/556706278.db2.gz PAQKPZWXWYRIOY-INIZCTEOSA-N 1 2 351.410 2.099 20 30 FEEDLO Cc1[nH+]c2ccccn2c1[C@@H]1C(=O)NCCN1Cc1cc(F)ccc1C#N ZINC000370408253 556863760 /nfs/dbraw/zinc/86/37/60/556863760.db2.gz ZBQVWCMPGHPCPW-LJQANCHMSA-N 1 2 363.396 2.327 20 30 FEEDLO N#Cc1c(F)cccc1N1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000370606878 556920224 /nfs/dbraw/zinc/92/02/24/556920224.db2.gz PVRQVXNHGPPVIJ-CYBMUJFWSA-N 1 2 353.401 2.189 20 30 FEEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@@H](N2CCCCC2=O)C1 ZINC000370896767 557006802 /nfs/dbraw/zinc/00/68/02/557006802.db2.gz CNYBMXFFSBBZPM-NVXWUHKLSA-N 1 2 354.454 2.362 20 30 FEEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@@H](N2CCCCC2=O)C1 ZINC000370896767 557006806 /nfs/dbraw/zinc/00/68/06/557006806.db2.gz CNYBMXFFSBBZPM-NVXWUHKLSA-N 1 2 354.454 2.362 20 30 FEEDLO Cc1c([C@H]2CCC[N@@H+]2CCS(=O)(=O)c2cccc(C#N)c2)cnn1C ZINC000371381536 557167177 /nfs/dbraw/zinc/16/71/77/557167177.db2.gz YVIHJNWQZMHPRK-GOSISDBHSA-N 1 2 358.467 2.211 20 30 FEEDLO Cc1c([C@H]2CCC[N@H+]2CCS(=O)(=O)c2cccc(C#N)c2)cnn1C ZINC000371381536 557167181 /nfs/dbraw/zinc/16/71/81/557167181.db2.gz YVIHJNWQZMHPRK-GOSISDBHSA-N 1 2 358.467 2.211 20 30 FEEDLO N#Cc1cccc(NC(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)n1 ZINC000517564956 562092625 /nfs/dbraw/zinc/09/26/25/562092625.db2.gz PTZOPQPROKHLFU-QGZVFWFLSA-N 1 2 351.410 2.148 20 30 FEEDLO Cc1cccn2c(CN3C[C@H](C#N)[C@@]4(C3)c3ccccc3NC4=O)c[nH+]c12 ZINC000371454634 557190334 /nfs/dbraw/zinc/19/03/34/557190334.db2.gz AUTBFIPRXQHJES-BTYIYWSLSA-N 1 2 357.417 2.488 20 30 FEEDLO N#Cc1ccc(NC(=O)C[NH+]2CCC(Oc3cncc(Cl)n3)CC2)cc1 ZINC000372354128 557448640 /nfs/dbraw/zinc/44/86/40/557448640.db2.gz BNLZCPFADBMOGE-UHFFFAOYSA-N 1 2 371.828 2.484 20 30 FEEDLO CCc1nc(C[N@H+]2C[C@H]3CN(c4ncc(Cl)c(C)c4C#N)C[C@H]3C2)no1 ZINC000372978873 557602338 /nfs/dbraw/zinc/60/23/38/557602338.db2.gz SKNAZNBYTQVEPB-BETUJISGSA-N 1 2 372.860 2.429 20 30 FEEDLO CCc1nc(C[N@@H+]2C[C@H]3CN(c4ncc(Cl)c(C)c4C#N)C[C@H]3C2)no1 ZINC000372978873 557602339 /nfs/dbraw/zinc/60/23/39/557602339.db2.gz SKNAZNBYTQVEPB-BETUJISGSA-N 1 2 372.860 2.429 20 30 FEEDLO N#Cc1ncn(C2CCN(C(=O)/C=C/c3ccc(-n4cc[nH+]c4)cc3)CC2)n1 ZINC000373417757 557690019 /nfs/dbraw/zinc/69/00/19/557690019.db2.gz NHOYSMWHYVHMFT-ZZXKWVIFSA-N 1 2 373.420 2.212 20 30 FEEDLO N#Cc1cccc(NC(=O)C[N@H+]2CCCN(c3ncccc3F)CC2)c1 ZINC000373693600 557740104 /nfs/dbraw/zinc/74/01/04/557740104.db2.gz JUUOVUZROANWKC-UHFFFAOYSA-N 1 2 353.401 2.243 20 30 FEEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CCCN(c3ncccc3F)CC2)c1 ZINC000373693600 557740106 /nfs/dbraw/zinc/74/01/06/557740106.db2.gz JUUOVUZROANWKC-UHFFFAOYSA-N 1 2 353.401 2.243 20 30 FEEDLO Cc1cc[nH+]cc1N1CCN([C@@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000374171034 557836768 /nfs/dbraw/zinc/83/67/68/557836768.db2.gz KPSTYEFMZRHNEU-MRXNPFEDSA-N 1 2 367.478 2.251 20 30 FEEDLO N#Cc1cc(NC(=O)C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)ccc1Cl ZINC000374210036 557843642 /nfs/dbraw/zinc/84/36/42/557843642.db2.gz DXKYNXWYFHZFEC-UHFFFAOYSA-N 1 2 357.801 2.279 20 30 FEEDLO N#Cc1cc(NC(=O)C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)ccc1Cl ZINC000374210036 557843644 /nfs/dbraw/zinc/84/36/44/557843644.db2.gz DXKYNXWYFHZFEC-UHFFFAOYSA-N 1 2 357.801 2.279 20 30 FEEDLO COc1cc(C[N@@H+]2CCN(S(C)(=O)=O)c3ccccc3C2)ccc1C#N ZINC000374209608 557843742 /nfs/dbraw/zinc/84/37/42/557843742.db2.gz IKPVBIAKBPOSLX-UHFFFAOYSA-N 1 2 371.462 2.349 20 30 FEEDLO COc1cc(C[N@H+]2CCN(S(C)(=O)=O)c3ccccc3C2)ccc1C#N ZINC000374209608 557843744 /nfs/dbraw/zinc/84/37/44/557843744.db2.gz IKPVBIAKBPOSLX-UHFFFAOYSA-N 1 2 371.462 2.349 20 30 FEEDLO COc1cc(C[N@@H+]2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)ccc1C#N ZINC000374210981 557844136 /nfs/dbraw/zinc/84/41/36/557844136.db2.gz MFFRWPWCODOTBV-IIBYNOLFSA-N 1 2 358.401 2.412 20 30 FEEDLO COc1cc(C[N@H+]2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)ccc1C#N ZINC000374210981 557844137 /nfs/dbraw/zinc/84/41/37/557844137.db2.gz MFFRWPWCODOTBV-IIBYNOLFSA-N 1 2 358.401 2.412 20 30 FEEDLO CN(C)C(=O)c1cccc(C[N@@H+]2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)c1 ZINC000374354673 557870804 /nfs/dbraw/zinc/87/08/04/557870804.db2.gz VFRFIGLIZGVILG-HTAPYJJXSA-N 1 2 374.444 2.234 20 30 FEEDLO CN(C)C(=O)c1cccc(C[N@H+]2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)c1 ZINC000374354673 557870806 /nfs/dbraw/zinc/87/08/06/557870806.db2.gz VFRFIGLIZGVILG-HTAPYJJXSA-N 1 2 374.444 2.234 20 30 FEEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCOC[C@H]1c1c(C)nn(C)c1C ZINC000374497194 557891627 /nfs/dbraw/zinc/89/16/27/557891627.db2.gz PEVWIHVITBBRLL-KRWDZBQOSA-N 1 2 370.453 2.370 20 30 FEEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCOC[C@H]1c1c(C)nn(C)c1C ZINC000374497194 557891628 /nfs/dbraw/zinc/89/16/28/557891628.db2.gz PEVWIHVITBBRLL-KRWDZBQOSA-N 1 2 370.453 2.370 20 30 FEEDLO C=CCCCC(=O)N1CC[C@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000376234716 558145373 /nfs/dbraw/zinc/14/53/73/558145373.db2.gz JEBFETBYBONXPH-INIZCTEOSA-N 1 2 351.491 2.496 20 30 FEEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1c(C)nn(C)c1N1CCOCC1 ZINC000521942078 562186951 /nfs/dbraw/zinc/18/69/51/562186951.db2.gz VLBMMYCNNTXNHW-UHFFFAOYSA-N 1 2 374.485 2.229 20 30 FEEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1c(C)nn(C)c1N1CCOCC1 ZINC000521942078 562186952 /nfs/dbraw/zinc/18/69/52/562186952.db2.gz VLBMMYCNNTXNHW-UHFFFAOYSA-N 1 2 374.485 2.229 20 30 FEEDLO C#CCCCCC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000377123284 558271161 /nfs/dbraw/zinc/27/11/61/558271161.db2.gz PDCXPXXIRZXKHE-QGZVFWFLSA-N 1 2 363.502 2.334 20 30 FEEDLO C[N@@H+]1CCN(CC(=O)N[C@@](C)(C#N)C2CC2)C[C@H]1c1ccccc1Cl ZINC000377526749 558357567 /nfs/dbraw/zinc/35/75/67/558357567.db2.gz XHUUZMOQPUMUIE-HKUYNNGSSA-N 1 2 360.889 2.437 20 30 FEEDLO C[N@H+]1CCN(CC(=O)N[C@@](C)(C#N)C2CC2)C[C@H]1c1ccccc1Cl ZINC000377526749 558357571 /nfs/dbraw/zinc/35/75/71/558357571.db2.gz XHUUZMOQPUMUIE-HKUYNNGSSA-N 1 2 360.889 2.437 20 30 FEEDLO Cc1nc(C)n(C[C@@H]2CCCC[N@@H+]2CC(=O)Nc2oc(C)c(C)c2C#N)n1 ZINC000377570288 558367629 /nfs/dbraw/zinc/36/76/29/558367629.db2.gz YDIWDYLUGZORDX-INIZCTEOSA-N 1 2 370.457 2.470 20 30 FEEDLO Cc1nc(C)n(C[C@@H]2CCCC[N@H+]2CC(=O)Nc2oc(C)c(C)c2C#N)n1 ZINC000377570288 558367631 /nfs/dbraw/zinc/36/76/31/558367631.db2.gz YDIWDYLUGZORDX-INIZCTEOSA-N 1 2 370.457 2.470 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Cc1ccc(-n2cccc2)cc1 ZINC000522865279 562205178 /nfs/dbraw/zinc/20/51/78/562205178.db2.gz FQFRAMBZFWMERS-UHFFFAOYSA-N 1 2 366.465 2.094 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cc(-n4cccn4)ccn3)CC2)cc1 ZINC000522883721 562205429 /nfs/dbraw/zinc/20/54/29/562205429.db2.gz VYKPXRWOVUJQCA-UHFFFAOYSA-N 1 2 372.432 2.097 20 30 FEEDLO CC[C@H](C#N)Oc1cc(CNC(=O)N2CCn3c[nH+]cc3C2)ccc1OC ZINC000378067909 558473159 /nfs/dbraw/zinc/47/31/59/558473159.db2.gz JACCPIGVFWXDCK-MRXNPFEDSA-N 1 2 369.425 2.298 20 30 FEEDLO C[C@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000407957164 558633422 /nfs/dbraw/zinc/63/34/22/558633422.db2.gz YALXDUHMGDRPHH-QWRGUYRKSA-N 1 2 361.389 2.290 20 30 FEEDLO C[C@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000407957164 558633424 /nfs/dbraw/zinc/63/34/24/558633424.db2.gz YALXDUHMGDRPHH-QWRGUYRKSA-N 1 2 361.389 2.290 20 30 FEEDLO C[C@@H]1[C@H](C)N(S(=O)(=O)c2cccc(Br)c2C#N)CC[N@H+]1C ZINC000408115017 558647659 /nfs/dbraw/zinc/64/76/59/558647659.db2.gz JXWAAZIHBAQEIE-MNOVXSKESA-N 1 2 372.288 2.034 20 30 FEEDLO C[C@@H]1[C@H](C)N(S(=O)(=O)c2cccc(Br)c2C#N)CC[N@@H+]1C ZINC000408115017 558647660 /nfs/dbraw/zinc/64/76/60/558647660.db2.gz JXWAAZIHBAQEIE-MNOVXSKESA-N 1 2 372.288 2.034 20 30 FEEDLO C[NH+]1CCN(Cc2ccc(NC(=O)c3ccc(C#N)c(O)c3)cc2)CC1 ZINC000525956795 562261041 /nfs/dbraw/zinc/26/10/41/562261041.db2.gz GPYXKGFDWGDLHW-UHFFFAOYSA-N 1 2 350.422 2.264 20 30 FEEDLO CN1CC[NH+](Cc2ccc(NC(=O)c3ccc(C#N)c(O)c3)cc2)CC1 ZINC000525956795 562261042 /nfs/dbraw/zinc/26/10/42/562261042.db2.gz GPYXKGFDWGDLHW-UHFFFAOYSA-N 1 2 350.422 2.264 20 30 FEEDLO C[C@@H]([NH2+][C@H](C)c1nc(-c2cccc(F)c2)no1)C(=O)NC1(C#N)CCC1 ZINC000526057751 562265446 /nfs/dbraw/zinc/26/54/46/562265446.db2.gz VQKOAJXCTXXVJB-VXGBXAGGSA-N 1 2 357.389 2.477 20 30 FEEDLO C[N@H+](CCC#N)C[C@H](O)COc1cccc(C(=O)NCc2ccccc2)c1 ZINC000414107538 559149408 /nfs/dbraw/zinc/14/94/08/559149408.db2.gz KJEVKQPDYGRZST-IBGZPJMESA-N 1 2 367.449 2.202 20 30 FEEDLO C[N@@H+](CCC#N)C[C@H](O)COc1cccc(C(=O)NCc2ccccc2)c1 ZINC000414107538 559149409 /nfs/dbraw/zinc/14/94/09/559149409.db2.gz KJEVKQPDYGRZST-IBGZPJMESA-N 1 2 367.449 2.202 20 30 FEEDLO C[N@H+](CCC#N)C[C@@H](O)Cn1nc(-c2ccccc2)c2ccccc2c1=O ZINC000414112405 559149656 /nfs/dbraw/zinc/14/96/56/559149656.db2.gz QURPNXPQMIRYRH-QGZVFWFLSA-N 1 2 362.433 2.270 20 30 FEEDLO C[N@@H+](CCC#N)C[C@@H](O)Cn1nc(-c2ccccc2)c2ccccc2c1=O ZINC000414112405 559149658 /nfs/dbraw/zinc/14/96/58/559149658.db2.gz QURPNXPQMIRYRH-QGZVFWFLSA-N 1 2 362.433 2.270 20 30 FEEDLO C[C@H](C(=O)NC1(C#N)CCC1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000527048807 562274601 /nfs/dbraw/zinc/27/46/01/562274601.db2.gz USTZKWKODOJWLV-QKYXPGDISA-N 1 2 352.482 2.268 20 30 FEEDLO CC1(C)COCC[N@@H+]1CCNC(=O)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000416685028 559329711 /nfs/dbraw/zinc/32/97/11/559329711.db2.gz LROYZUIMTQQEAX-SFHVURJKSA-N 1 2 356.470 2.346 20 30 FEEDLO CC1(C)COCC[N@H+]1CCNC(=O)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000416685028 559329712 /nfs/dbraw/zinc/32/97/12/559329712.db2.gz LROYZUIMTQQEAX-SFHVURJKSA-N 1 2 356.470 2.346 20 30 FEEDLO CC(C)(C)OC(=O)C[NH2+][C@]1(C)CCN(c2nc3ccccn3c2C#N)C1 ZINC000418934676 559422489 /nfs/dbraw/zinc/42/24/89/559422489.db2.gz AFASVTITMZPPAX-LJQANCHMSA-N 1 2 355.442 2.106 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2C[C@H](CO)OC(C)(C)C2)c1 ZINC000420929449 559512245 /nfs/dbraw/zinc/51/22/45/559512245.db2.gz DEHBMPQWWHVSQV-PKOBYXMFSA-N 1 2 373.497 2.410 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2C[C@H](CO)OC(C)(C)C2)c1 ZINC000420929449 559512246 /nfs/dbraw/zinc/51/22/46/559512246.db2.gz DEHBMPQWWHVSQV-PKOBYXMFSA-N 1 2 373.497 2.410 20 30 FEEDLO CC(=O)N[C@H]1CC[N@H+](CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)C1 ZINC000420979494 559516464 /nfs/dbraw/zinc/51/64/64/559516464.db2.gz DGRQVTBQRWZRGK-HNNXBMFYSA-N 1 2 362.861 2.106 20 30 FEEDLO CC(=O)N[C@H]1CC[N@@H+](CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)C1 ZINC000420979494 559516465 /nfs/dbraw/zinc/51/64/65/559516465.db2.gz DGRQVTBQRWZRGK-HNNXBMFYSA-N 1 2 362.861 2.106 20 30 FEEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CC[C@]23CCOC3)c1C#N ZINC000421011941 559519405 /nfs/dbraw/zinc/51/94/05/559519405.db2.gz DVMRBXZFKLABEG-HXUWFJFHSA-N 1 2 368.437 2.421 20 30 FEEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CC[C@]23CCOC3)c1C#N ZINC000421011941 559519406 /nfs/dbraw/zinc/51/94/06/559519406.db2.gz DVMRBXZFKLABEG-HXUWFJFHSA-N 1 2 368.437 2.421 20 30 FEEDLO Cc1ccccc1[C@@H](OC[C@H](O)C[NH+]1CC(O)(CC#N)C1)c1ccccc1 ZINC000424130478 559655631 /nfs/dbraw/zinc/65/56/31/559655631.db2.gz FJQKHGHNVHTANF-CTNGQTDRSA-N 1 2 366.461 2.422 20 30 FEEDLO Cc1cc(NCCCNS(=O)(=O)c2ccccc2Cl)c(C#N)c[nH+]1 ZINC000425254117 559693577 /nfs/dbraw/zinc/69/35/77/559693577.db2.gz DIIMCVNBXFHVAI-UHFFFAOYSA-N 1 2 364.858 2.118 20 30 FEEDLO Cc1cc(N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)c(C#N)c[nH+]1 ZINC000425268862 559694142 /nfs/dbraw/zinc/69/41/42/559694142.db2.gz PYJUVLNZCSEQCI-UHFFFAOYSA-N 1 2 351.366 2.132 20 30 FEEDLO CC[C@@](C)(C(=O)OC)[N@@H+](CC(=O)NCc1cccc(C#N)c1)CC1CC1 ZINC000425518202 559707404 /nfs/dbraw/zinc/70/74/04/559707404.db2.gz YESZOMNUQAOJGE-FQEVSTJZSA-N 1 2 357.454 2.228 20 30 FEEDLO CC[C@@](C)(C(=O)OC)[N@H+](CC(=O)NCc1cccc(C#N)c1)CC1CC1 ZINC000425518202 559707405 /nfs/dbraw/zinc/70/74/05/559707405.db2.gz YESZOMNUQAOJGE-FQEVSTJZSA-N 1 2 357.454 2.228 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000425574597 559710390 /nfs/dbraw/zinc/71/03/90/559710390.db2.gz LLNHDQWIJJWZPR-UFYCRDLUSA-N 1 2 373.497 2.259 20 30 FEEDLO Cc1ccc(NS(=O)(=O)c2cnc(C)c(C#N)c2)c(OCC[NH+](C)C)c1 ZINC000427776772 559762187 /nfs/dbraw/zinc/76/21/87/559762187.db2.gz FXDFUBSAQTUOCL-UHFFFAOYSA-N 1 2 374.466 2.311 20 30 FEEDLO C[C@@H]([NH2+]CC(=O)NCc1ccc(C#N)cc1)c1ncc(Br)cn1 ZINC000432982601 559869292 /nfs/dbraw/zinc/86/92/92/559869292.db2.gz HDRWEKRABUZJIQ-LLVKDONJSA-N 1 2 374.242 2.078 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)N2CCc3c[nH+]ccc32)cc1Br ZINC000433874757 559889364 /nfs/dbraw/zinc/88/93/64/559889364.db2.gz YOFMKVXYRKVULT-UHFFFAOYSA-N 1 2 364.224 2.467 20 30 FEEDLO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000434462654 559901019 /nfs/dbraw/zinc/90/10/19/559901019.db2.gz HRHDNNVDZOCIDX-UHFFFAOYSA-N 1 2 374.441 2.157 20 30 FEEDLO C[N@H+](CCN1CCOC(C)(C)C1)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000434699868 559906701 /nfs/dbraw/zinc/90/67/01/559906701.db2.gz OUZMDDQRHXEWFA-UHFFFAOYSA-N 1 2 364.877 2.193 20 30 FEEDLO C[N@@H+](CCN1CCOC(C)(C)C1)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000434699868 559906702 /nfs/dbraw/zinc/90/67/02/559906702.db2.gz OUZMDDQRHXEWFA-UHFFFAOYSA-N 1 2 364.877 2.193 20 30 FEEDLO N#Cc1ccc(C2(C(=O)NCc3ccc(N4CCOCC4)[nH+]c3)CC2)cc1 ZINC000435934469 559932652 /nfs/dbraw/zinc/93/26/52/559932652.db2.gz HGONNHCBEQAXGD-UHFFFAOYSA-N 1 2 362.433 2.138 20 30 FEEDLO C=CCn1cccc1C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000437960512 559972137 /nfs/dbraw/zinc/97/21/37/559972137.db2.gz IOKJCKJOJWZODN-UXHICEINSA-N 1 2 351.450 2.400 20 30 FEEDLO C=CCn1cccc1C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000437960512 559972138 /nfs/dbraw/zinc/97/21/38/559972138.db2.gz IOKJCKJOJWZODN-UXHICEINSA-N 1 2 351.450 2.400 20 30 FEEDLO C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC000440268383 560007749 /nfs/dbraw/zinc/00/77/49/560007749.db2.gz SAYADNBKZXILRH-QGZVFWFLSA-N 1 2 361.445 2.187 20 30 FEEDLO C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC000440268383 560007750 /nfs/dbraw/zinc/00/77/50/560007750.db2.gz SAYADNBKZXILRH-QGZVFWFLSA-N 1 2 361.445 2.187 20 30 FEEDLO Cc1cc(C#N)ccc1C(=O)N1CC[C@](C)([NH2+]CC(=O)OC(C)(C)C)C1 ZINC000442820170 560058281 /nfs/dbraw/zinc/05/82/81/560058281.db2.gz ASKSZKUFYYOXKC-FQEVSTJZSA-N 1 2 357.454 2.403 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(Cc1ccccc1)[C@H](C)C[NH+]1CCOCC1 ZINC000448897064 560205278 /nfs/dbraw/zinc/20/52/78/560205278.db2.gz GKDFXBWIIZFKEY-RLLQIKCJSA-N 1 2 358.482 2.327 20 30 FEEDLO COc1ccc(-n2cc(C[NH+]3CCN(c4ccc(C#N)cn4)CC3)cn2)cc1 ZINC000449008493 560211844 /nfs/dbraw/zinc/21/18/44/560211844.db2.gz DXWUOKOGXNUQEF-UHFFFAOYSA-N 1 2 374.448 2.470 20 30 FEEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)COc1ccc(C#N)c(Br)c1 ZINC000449649159 560235407 /nfs/dbraw/zinc/23/54/07/560235407.db2.gz IFZYDWVMLBGFQM-LLVKDONJSA-N 1 2 363.215 2.101 20 30 FEEDLO CN(C)c1nc(N2CCN(c3ncccc3C#N)CC2)[nH+]c2ccccc21 ZINC000450232056 560254917 /nfs/dbraw/zinc/25/49/17/560254917.db2.gz JYRVHPJIVXBETD-UHFFFAOYSA-N 1 2 359.437 2.289 20 30 FEEDLO N#Cc1ccccc1S(=O)(=O)N1CC[NH+](C[C@@H]2CCC(F)(F)C2)CC1 ZINC000450250191 560255822 /nfs/dbraw/zinc/25/58/22/560255822.db2.gz HOJGTKUGCNOJCH-CQSZACIVSA-N 1 2 369.437 2.300 20 30 FEEDLO CN1CCN(S(=O)(=O)c2ccc(CC#N)cc2Cl)c2ccc[nH+]c21 ZINC000450974633 560280887 /nfs/dbraw/zinc/28/08/87/560280887.db2.gz MWTXOKGNKJPNIC-UHFFFAOYSA-N 1 2 362.842 2.446 20 30 FEEDLO CN(Cc1[nH+]ccn1Cc1ccccc1)S(=O)(=O)CC1(CC#N)CC1 ZINC000451258110 560296378 /nfs/dbraw/zinc/29/63/78/560296378.db2.gz AGHQIHXOUJAKMA-UHFFFAOYSA-N 1 2 358.467 2.387 20 30 FEEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@](O)(C(F)F)C2)c1C ZINC000451434816 560306907 /nfs/dbraw/zinc/30/69/07/560306907.db2.gz QFVGRWGFPCKHSK-SFHVURJKSA-N 1 2 351.397 2.252 20 30 FEEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CC[C@@](O)(C(F)F)C2)c1C ZINC000451434816 560306908 /nfs/dbraw/zinc/30/69/08/560306908.db2.gz QFVGRWGFPCKHSK-SFHVURJKSA-N 1 2 351.397 2.252 20 30 FEEDLO C[C@@H]1CN(CC(F)(F)F)CC[N@H+](CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000451865714 560333264 /nfs/dbraw/zinc/33/32/64/560333264.db2.gz AHULPXIXMNVYSB-HNNXBMFYSA-N 1 2 374.451 2.487 20 30 FEEDLO C[C@@H]1CN(CC(F)(F)F)CC[N@@H+](CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000451865714 560333265 /nfs/dbraw/zinc/33/32/65/560333265.db2.gz AHULPXIXMNVYSB-HNNXBMFYSA-N 1 2 374.451 2.487 20 30 FEEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC[C@H]([C@H](O)C(F)(F)F)C2)c(C#N)c1C ZINC000451899437 560335845 /nfs/dbraw/zinc/33/58/45/560335845.db2.gz ZBFDNBLDXGPSNP-GAFUQQFSSA-N 1 2 359.348 2.340 20 30 FEEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CC[C@H]([C@H](O)C(F)(F)F)C2)c(C#N)c1C ZINC000451899437 560335846 /nfs/dbraw/zinc/33/58/46/560335846.db2.gz ZBFDNBLDXGPSNP-GAFUQQFSSA-N 1 2 359.348 2.340 20 30 FEEDLO CCn1cc[nH+]c1CNC(=O)COc1ccc(C#N)c(Br)c1 ZINC000452568856 560368002 /nfs/dbraw/zinc/36/80/02/560368002.db2.gz CPYWDSQSCHDMFM-UHFFFAOYSA-N 1 2 363.215 2.232 20 30 FEEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)N1CCN(c2ccccc2C#N)CC1 ZINC000455454284 560482880 /nfs/dbraw/zinc/48/28/80/560482880.db2.gz CAVSRJOZXIUSSX-HNNXBMFYSA-N 1 2 352.442 2.367 20 30 FEEDLO Cc1cc(C#N)cc(NC(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)CC(C)C)c1 ZINC000456962539 560540816 /nfs/dbraw/zinc/54/08/16/560540816.db2.gz JXZNFRRXJOSNTI-KRWDZBQOSA-N 1 2 353.426 2.302 20 30 FEEDLO Cc1cc(C#N)cc(NC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)CC(C)C)c1 ZINC000456962539 560540818 /nfs/dbraw/zinc/54/08/18/560540818.db2.gz JXZNFRRXJOSNTI-KRWDZBQOSA-N 1 2 353.426 2.302 20 30 FEEDLO CN(CC(C)(C)C#N)C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000457598340 560577172 /nfs/dbraw/zinc/57/71/72/560577172.db2.gz OWNZYKOQMGDLOC-UHFFFAOYSA-N 1 2 371.485 2.281 20 30 FEEDLO CCCN1C(=O)CC[C@@H](C(=O)NCC(C)(C)CC#N)[C@@H]1c1c[nH+]cn1C ZINC000458014798 560599129 /nfs/dbraw/zinc/59/91/29/560599129.db2.gz CMQSGEPFZUYZOW-RHSMWYFYSA-N 1 2 359.474 2.166 20 30 FEEDLO COc1cccc(OCC[NH+]2CCN(C(=O)NCC(C)(C)CC#N)CC2)c1 ZINC000459260073 560676499 /nfs/dbraw/zinc/67/64/99/560676499.db2.gz PEUGHBABRUOQIX-UHFFFAOYSA-N 1 2 374.485 2.341 20 30 FEEDLO CCOC(=O)Cn1nc(C)c(C[NH+]2CC(Oc3ccc(C#N)cc3)C2)c1C ZINC000459614345 560697798 /nfs/dbraw/zinc/69/77/98/560697798.db2.gz OAHSLEUVDRQNGI-UHFFFAOYSA-N 1 2 368.437 2.198 20 30 FEEDLO C[C@H](Cc1cccc(F)c1)[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000459766172 560707009 /nfs/dbraw/zinc/70/70/09/560707009.db2.gz PCIZTFYACVOSGO-CQSZACIVSA-N 1 2 361.442 2.429 20 30 FEEDLO C[C@H](Cc1cccc(F)c1)[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000459766172 560707011 /nfs/dbraw/zinc/70/70/11/560707011.db2.gz PCIZTFYACVOSGO-CQSZACIVSA-N 1 2 361.442 2.429 20 30 FEEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccn(C)n1 ZINC000459802571 560709442 /nfs/dbraw/zinc/70/94/42/560709442.db2.gz YQKUXDJXOPMFCK-LSDHHAIUSA-N 1 2 355.442 2.415 20 30 FEEDLO Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)Cc1cn2ccccc2[nH+]1 ZINC000461304708 560766451 /nfs/dbraw/zinc/76/64/51/560766451.db2.gz ZMNAKGBMGPEMQE-UHFFFAOYSA-N 1 2 357.377 2.276 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCCc3cccc(C#N)c3)CC2)cc1 ZINC000466812209 560896196 /nfs/dbraw/zinc/89/61/96/560896196.db2.gz BJJODDMCZIJCMS-UHFFFAOYSA-N 1 2 373.460 2.500 20 30 FEEDLO Cc1nc2ccc(C(=O)N(CCC#N)CC[NH+]3CCOCC3)cc2s1 ZINC000468963107 560943386 /nfs/dbraw/zinc/94/33/86/560943386.db2.gz NQYLTFANMHFDJO-UHFFFAOYSA-N 1 2 358.467 2.293 20 30 FEEDLO COc1ccccc1-c1noc([C@H](C)[NH2+][C@@H](C)C(=O)NC2(C#N)CCC2)n1 ZINC000469021472 560945025 /nfs/dbraw/zinc/94/50/25/560945025.db2.gz OYXXTZHBXOAJKI-STQMWFEESA-N 1 2 369.425 2.347 20 30 FEEDLO COc1cc(C#N)ccc1OCC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000469431737 560955155 /nfs/dbraw/zinc/95/51/55/560955155.db2.gz JOHPDSVLLUBPDG-INIZCTEOSA-N 1 2 353.378 2.021 20 30 FEEDLO COC(=O)[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)[C@@H]1C ZINC000469996898 560971056 /nfs/dbraw/zinc/97/10/56/560971056.db2.gz SOMJCUHQMKJZRD-GRYCIOLGSA-N 1 2 361.467 2.319 20 30 FEEDLO COC(=O)[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)[C@@H]1C ZINC000469996898 560971057 /nfs/dbraw/zinc/97/10/57/560971057.db2.gz SOMJCUHQMKJZRD-GRYCIOLGSA-N 1 2 361.467 2.319 20 30 FEEDLO N#CCCN(C(=O)C[N@H+]1CCSC[C@@H]1CCO)c1cccc(Cl)c1 ZINC000470221329 560976940 /nfs/dbraw/zinc/97/69/40/560976940.db2.gz XUXNNZYBWKNERR-INIZCTEOSA-N 1 2 367.902 2.386 20 30 FEEDLO N#CCCN(C(=O)C[N@@H+]1CCSC[C@@H]1CCO)c1cccc(Cl)c1 ZINC000470221329 560976941 /nfs/dbraw/zinc/97/69/41/560976941.db2.gz XUXNNZYBWKNERR-INIZCTEOSA-N 1 2 367.902 2.386 20 30 FEEDLO C=CCOCCC[NH+]1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000470715434 560987945 /nfs/dbraw/zinc/98/79/45/560987945.db2.gz FGXKCXQDPMPZKJ-UHFFFAOYSA-N 1 2 358.891 2.239 20 30 FEEDLO Cc1nn(C)c(N2CC[NH+]([C@H](C)C(=O)Nc3cccc(C)c3)CC2)c1C#N ZINC000472151805 561019455 /nfs/dbraw/zinc/01/94/55/561019455.db2.gz GVDZCLQTHGBPLL-MRXNPFEDSA-N 1 2 366.469 2.058 20 30 FEEDLO Cc1ccc(NCc2c[nH+]c3ccc(C#N)cn23)cc1N1C(=O)CNC1=O ZINC000475573959 561100192 /nfs/dbraw/zinc/10/01/92/561100192.db2.gz VEZGOJSWOUMCRT-UHFFFAOYSA-N 1 2 360.377 2.183 20 30 FEEDLO C=CCCC1(C(=O)Nc2ccc(C(=O)NCC[NH+]3CCOCC3)cc2)CC1 ZINC000475603575 561100631 /nfs/dbraw/zinc/10/06/31/561100631.db2.gz OABWUCLEGFDCGV-UHFFFAOYSA-N 1 2 371.481 2.434 20 30 FEEDLO Cc1ccccc1CN1CC[NH+](C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000528341819 562323737 /nfs/dbraw/zinc/32/37/37/562323737.db2.gz XTMUWUZSMFDHSM-OAQYLSRUSA-N 1 2 365.477 2.424 20 30 FEEDLO N#Cc1ccc(N2CC[NH+]([C@H]3CCN(C4CCCCC4)C3=O)CC2)nc1 ZINC000528358408 562324830 /nfs/dbraw/zinc/32/48/30/562324830.db2.gz NAXZOJIOTKKYMA-SFHVURJKSA-N 1 2 353.470 2.009 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCN(c3ccc(Cl)cc3F)C2=O)C1=O ZINC000528498086 562332399 /nfs/dbraw/zinc/33/23/99/562332399.db2.gz UXCOUUITDBSIAU-JKSUJKDBSA-N 1 2 365.836 2.303 20 30 FEEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCN(c3ccc(Cl)cc3F)C2=O)C1=O ZINC000528498086 562332400 /nfs/dbraw/zinc/33/24/00/562332400.db2.gz UXCOUUITDBSIAU-JKSUJKDBSA-N 1 2 365.836 2.303 20 30 FEEDLO COc1ccc(C[N@@H+]2CC[C@@H]2CNS(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000528504999 562332903 /nfs/dbraw/zinc/33/29/03/562332903.db2.gz XDPOFGQFDREHTK-QGZVFWFLSA-N 1 2 371.462 2.120 20 30 FEEDLO COc1ccc(C[N@H+]2CC[C@@H]2CNS(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000528504999 562332904 /nfs/dbraw/zinc/33/29/04/562332904.db2.gz XDPOFGQFDREHTK-QGZVFWFLSA-N 1 2 371.462 2.120 20 30 FEEDLO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000528548605 562335450 /nfs/dbraw/zinc/33/54/50/562335450.db2.gz JOCFIUHMMMNCGD-NQIIRXRSSA-N 1 2 362.433 2.250 20 30 FEEDLO N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000528548605 562335451 /nfs/dbraw/zinc/33/54/51/562335451.db2.gz JOCFIUHMMMNCGD-NQIIRXRSSA-N 1 2 362.433 2.250 20 30 FEEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000530342821 562407573 /nfs/dbraw/zinc/40/75/73/562407573.db2.gz KKDBCMKVORENMQ-YRORDHRNSA-N 1 2 372.494 2.021 20 30 FEEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000530342821 562407574 /nfs/dbraw/zinc/40/75/74/562407574.db2.gz KKDBCMKVORENMQ-YRORDHRNSA-N 1 2 372.494 2.021 20 30 FEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC000532352614 562474982 /nfs/dbraw/zinc/47/49/82/562474982.db2.gz XXVDRTKJZMXZDE-MRXNPFEDSA-N 1 2 351.454 2.239 20 30 FEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC000532352614 562474983 /nfs/dbraw/zinc/47/49/83/562474983.db2.gz XXVDRTKJZMXZDE-MRXNPFEDSA-N 1 2 351.454 2.239 20 30 FEEDLO CSc1[nH]c(=O)c(C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)cc1C#N ZINC000534598071 562537947 /nfs/dbraw/zinc/53/79/47/562537947.db2.gz MUKMQPNSZKVHIW-OAHLLOKOSA-N 1 2 354.435 2.297 20 30 FEEDLO CSc1[nH]c(=O)c(C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)cc1C#N ZINC000534598071 562537948 /nfs/dbraw/zinc/53/79/48/562537948.db2.gz MUKMQPNSZKVHIW-OAHLLOKOSA-N 1 2 354.435 2.297 20 30 FEEDLO COc1cc2c(cc1OC)C[N@H+](CC(=O)N1CCC(CC#N)CC1)CC2 ZINC000541049455 562601372 /nfs/dbraw/zinc/60/13/72/562601372.db2.gz NAAYNJDYJZYRMG-UHFFFAOYSA-N 1 2 357.454 2.214 20 30 FEEDLO COc1cc2c(cc1OC)C[N@@H+](CC(=O)N1CCC(CC#N)CC1)CC2 ZINC000541049455 562601373 /nfs/dbraw/zinc/60/13/73/562601373.db2.gz NAAYNJDYJZYRMG-UHFFFAOYSA-N 1 2 357.454 2.214 20 30 FEEDLO N#Cc1cccc(N2CC[NH+]([C@H]3CCCN(c4ccccc4)C3=O)CC2)n1 ZINC000545506108 562628395 /nfs/dbraw/zinc/62/83/95/562628395.db2.gz JXCRVUKUJVJCIU-IBGZPJMESA-N 1 2 361.449 2.271 20 30 FEEDLO C[C@@H](C#N)C[N@H+](Cc1ccc(S(N)(=O)=O)c(Br)c1)C1CC1 ZINC000602485284 567985405 /nfs/dbraw/zinc/98/54/05/567985405.db2.gz RCDNYLBDZORDCS-JTQLQIEISA-N 1 2 372.288 2.221 20 30 FEEDLO C[C@@H](C#N)C[N@@H+](Cc1ccc(S(N)(=O)=O)c(Br)c1)C1CC1 ZINC000602485284 567985406 /nfs/dbraw/zinc/98/54/06/567985406.db2.gz RCDNYLBDZORDCS-JTQLQIEISA-N 1 2 372.288 2.221 20 30 FEEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602854821 568002005 /nfs/dbraw/zinc/00/20/05/568002005.db2.gz DVIQRLLNKHFAGL-YESZJQIVSA-N 1 2 371.460 2.379 20 30 FEEDLO CCCOCc1ccccc1CNC(=O)C[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602867635 568008517 /nfs/dbraw/zinc/00/85/17/568008517.db2.gz ZIPGGQJNRZKOBK-ROUUACIJSA-N 1 2 372.513 2.148 20 30 FEEDLO N#CC[C@@H]1CCC[N@@H+](Cc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000602704611 568017859 /nfs/dbraw/zinc/01/78/59/568017859.db2.gz BEVFCBUMFFUTGA-NSHDSACASA-N 1 2 372.288 2.222 20 30 FEEDLO N#CC[C@@H]1CCC[N@H+](Cc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000602704611 568017860 /nfs/dbraw/zinc/01/78/60/568017860.db2.gz BEVFCBUMFFUTGA-NSHDSACASA-N 1 2 372.288 2.222 20 30 FEEDLO C[N@H+](CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)[C@@H]1CCC[C@@H]1C#N ZINC000602973892 568035090 /nfs/dbraw/zinc/03/50/90/568035090.db2.gz HDWKTVFCACXAKA-IEBWSBKVSA-N 1 2 368.481 2.488 20 30 FEEDLO C[N@@H+](CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)[C@@H]1CCC[C@@H]1C#N ZINC000602973892 568035092 /nfs/dbraw/zinc/03/50/92/568035092.db2.gz HDWKTVFCACXAKA-IEBWSBKVSA-N 1 2 368.481 2.488 20 30 FEEDLO CN(CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1CCC[C@H]1C#N ZINC000602976199 568035961 /nfs/dbraw/zinc/03/59/61/568035961.db2.gz MMUAGNQESPQHJI-PKOBYXMFSA-N 1 2 356.470 2.081 20 30 FEEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH2+][C@H](CF)c2ccc(F)cc2)CC1 ZINC000603017606 568052027 /nfs/dbraw/zinc/05/20/27/568052027.db2.gz JFAVPNMCDLLKFN-QZTJIDSGSA-N 1 2 364.440 2.118 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)n1cc(C[NH2+]Cc2ccc(F)cc2)nn1 ZINC000603175631 568068000 /nfs/dbraw/zinc/06/80/00/568068000.db2.gz LWZLAZOZIXOJRG-LIRRHRJNSA-N 1 2 372.448 2.322 20 30 FEEDLO CCN(C[C@H](C)C#N)C(=O)CN1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC000603850039 568164495 /nfs/dbraw/zinc/16/44/95/568164495.db2.gz YKZVTGNDNJTRJD-GOSISDBHSA-N 1 2 372.513 2.129 20 30 FEEDLO CC(C)[C@H](C#N)N1CC[NH+](CC(=O)NCCCSc2ccccc2)CC1 ZINC000609484477 568344706 /nfs/dbraw/zinc/34/47/06/568344706.db2.gz CFQGFTFDFNQDKC-IBGZPJMESA-N 1 2 374.554 2.451 20 30 FEEDLO CC(C)[C@@H](C#N)N1CC[NH+](CC(=O)N(Cc2ccccc2)C2CC2)CC1 ZINC000609486121 568346214 /nfs/dbraw/zinc/34/62/14/568346214.db2.gz DHAKYWABGBVLFY-HXUWFJFHSA-N 1 2 354.498 2.343 20 30 FEEDLO C[C@@H](C#N)C(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000557416011 674448400 /nfs/dbraw/zinc/44/84/00/674448400.db2.gz ATCBINCKYNYMMG-NSHDSACASA-N 1 2 351.204 2.427 20 30 FEEDLO C#C[C@H]([NH2+]Cc1cn(-c2ccccc2Br)nn1)[C@H]1CCCO1 ZINC000810153067 674534765 /nfs/dbraw/zinc/53/47/65/674534765.db2.gz MFDGKZHKKQZAAX-GOEBONIOSA-N 1 2 361.243 2.300 20 30 FEEDLO N#CC1(CS(=O)(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)CCC1 ZINC000564349976 674999732 /nfs/dbraw/zinc/99/97/32/674999732.db2.gz PYMMQZLVUCZIND-OAHLLOKOSA-N 1 2 362.499 2.422 20 30 FEEDLO Cc1nsc(NC[C@@H]2C[C@H](C)CCN2C(=O)Cc2c[nH+]c[nH]2)c1C#N ZINC001048364023 675008215 /nfs/dbraw/zinc/00/82/15/675008215.db2.gz QFOQVPGIZYARDO-RISCZKNCSA-N 1 2 358.471 2.328 20 30 FEEDLO C=CCN1C(=S)N=NC1c1sc(NC(=O)Cc2[nH]cc[nH+]2)nc1C ZINC000816842149 675082260 /nfs/dbraw/zinc/08/22/60/675082260.db2.gz FUMWDJVTRIASMR-UHFFFAOYSA-N 1 2 361.456 2.089 20 30 FEEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN(Cc2csc(C)n2)CC1 ZINC000073741033 670506507 /nfs/dbraw/zinc/50/65/07/670506507.db2.gz IAESCTMLJCYEQM-OAHLLOKOSA-N 1 2 350.532 2.382 20 30 FEEDLO NC(Cc1cccnc1)=[NH+]OCc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000089506476 670702450 /nfs/dbraw/zinc/70/24/50/670702450.db2.gz JSLBKRZZGFTKAX-UHFFFAOYSA-N 1 2 355.366 2.109 20 30 FEEDLO CN(Cc1cn2c([nH+]1)CCCC2)S(=O)(=O)Cc1ccc(CC#N)cc1 ZINC000577390557 671593087 /nfs/dbraw/zinc/59/30/87/671593087.db2.gz HQXGSEVCTIETRV-UHFFFAOYSA-N 1 2 358.467 2.247 20 30 FEEDLO C[NH+](C)[C@@H]1CCOc2c(NS(=O)(=O)c3cncc(C#N)c3)cccc21 ZINC000580139725 671785124 /nfs/dbraw/zinc/78/51/24/671785124.db2.gz KMVGPEWIRBZVGC-MRXNPFEDSA-N 1 2 358.423 2.139 20 30 FEEDLO Cc1nc(NCC2([NH+]3CCOCC3)CCOCC2)c(Cl)cc1C#N ZINC000581177842 671870538 /nfs/dbraw/zinc/87/05/38/671870538.db2.gz OSTKOWFXFRUXHA-UHFFFAOYSA-N 1 2 350.850 2.208 20 30 FEEDLO C[N@H+](Cc1ccccc1)C1CN(S(=O)(=O)Cc2ccc(C#N)cc2)C1 ZINC000588901213 672490866 /nfs/dbraw/zinc/49/08/66/672490866.db2.gz WCHHDQNJXCIPDD-UHFFFAOYSA-N 1 2 355.463 2.204 20 30 FEEDLO C[N@@H+](Cc1ccccc1)C1CN(S(=O)(=O)Cc2ccc(C#N)cc2)C1 ZINC000588901213 672490869 /nfs/dbraw/zinc/49/08/69/672490869.db2.gz WCHHDQNJXCIPDD-UHFFFAOYSA-N 1 2 355.463 2.204 20 30 FEEDLO CNS(=O)(=O)c1ccc(C(=O)/C=C\c2c[nH+]c3ccc(C)cn23)cc1 ZINC000255772449 672896915 /nfs/dbraw/zinc/89/69/15/672896915.db2.gz OINVLTNYYTXCHM-TWGQIWQCSA-N 1 2 355.419 2.447 20 30 FEEDLO C[C@H]1C[N@H+](CCNC(=O)c2ccc(Br)cc2C#N)[C@@H](C)CO1 ZINC000597996543 673528020 /nfs/dbraw/zinc/52/80/20/673528020.db2.gz QCGNPWORIOOETG-RYUDHWBXSA-N 1 2 366.259 2.160 20 30 FEEDLO C[C@H]1C[N@@H+](CCNC(=O)c2ccc(Br)cc2C#N)[C@@H](C)CO1 ZINC000597996543 673528022 /nfs/dbraw/zinc/52/80/22/673528022.db2.gz QCGNPWORIOOETG-RYUDHWBXSA-N 1 2 366.259 2.160 20 30 FEEDLO N#Cc1cc(Cl)c(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)c(Cl)c1 ZINC000598151025 673541317 /nfs/dbraw/zinc/54/13/17/673541317.db2.gz NGUANBCLAAWSEE-LBPRGKRZSA-N 1 2 354.237 2.412 20 30 FEEDLO CCOC(=O)c1sc([C@H](C)[NH2+]CC(=O)N[C@](C)(C#N)C2CC2)nc1C ZINC000542623313 673593779 /nfs/dbraw/zinc/59/37/79/673593779.db2.gz VCKJUIHYEMYMAW-APPDUMDISA-N 1 2 364.471 2.087 20 30 FEEDLO O=S1(=O)C=C(NNc2[nH+]c(-c3ccccn3)nc3c2CCC3)CCC1 ZINC000741813466 673698378 /nfs/dbraw/zinc/69/83/78/673698378.db2.gz QTFDBHSWOPVDNR-UHFFFAOYSA-N 1 2 357.439 2.004 20 30 FEEDLO C#CCC[NH+]1CCN(C(=O)c2c(C(F)(F)F)nc3n2CCCC3)CC1 ZINC000825077972 675635862 /nfs/dbraw/zinc/63/58/62/675635862.db2.gz NYUYENFECARTFW-UHFFFAOYSA-N 1 2 354.376 2.019 20 30 FEEDLO Cn1cc(Cl)cc1C[N@H+](C)CC#CCN1C(=O)c2ccccc2C1=O ZINC000625220692 676629675 /nfs/dbraw/zinc/62/96/75/676629675.db2.gz DKVNXASCZSUNEV-UHFFFAOYSA-N 1 2 355.825 2.410 20 30 FEEDLO Cn1cc(Cl)cc1C[N@@H+](C)CC#CCN1C(=O)c2ccccc2C1=O ZINC000625220692 676629678 /nfs/dbraw/zinc/62/96/78/676629678.db2.gz DKVNXASCZSUNEV-UHFFFAOYSA-N 1 2 355.825 2.410 20 30 FEEDLO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCO[C@@H](CCF)C2)c(OC)c1 ZINC000625999866 676682869 /nfs/dbraw/zinc/68/28/69/676682869.db2.gz DYAUHVMRULMKCD-SJORKVTESA-N 1 2 353.434 2.224 20 30 FEEDLO C=CCc1ccc(OC[C@H](O)C[N@H+]2CCO[C@@H](CCF)C2)c(OC)c1 ZINC000625999866 676682871 /nfs/dbraw/zinc/68/28/71/676682871.db2.gz DYAUHVMRULMKCD-SJORKVTESA-N 1 2 353.434 2.224 20 30 FEEDLO NC(=NOCc1ccc(Cl)nc1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000760438319 680687576 /nfs/dbraw/zinc/68/75/76/680687576.db2.gz RFKYGGWXBJFGJX-UHFFFAOYSA-N 1 2 360.845 2.404 20 30 FEEDLO CC#CC[NH2+]Cc1cn(C[C@H](O)COc2ccc(Cl)c(Cl)c2)nn1 ZINC000641206322 677196897 /nfs/dbraw/zinc/19/68/97/677196897.db2.gz SQDKNMFEZROQDP-ZDUSSCGKSA-N 1 2 369.252 2.138 20 30 FEEDLO C=C(Br)CN1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001008581955 679918965 /nfs/dbraw/zinc/91/89/65/679918965.db2.gz KQJJYIXHPAFEDH-MGPQQGTHSA-N 1 2 367.291 2.013 20 30 FEEDLO N#Cc1c(F)cccc1S(=O)(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000751031879 680149901 /nfs/dbraw/zinc/14/99/01/680149901.db2.gz HRGJQQKRDRTDLC-UHFFFAOYSA-N 1 2 356.382 2.362 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](Cc2nnc(CC)s2)C1 ZINC001023599492 680264994 /nfs/dbraw/zinc/26/49/94/680264994.db2.gz LZYKYBPEIOSMFB-ZNMIVQPWSA-N 1 2 364.515 2.020 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](Cc2nnc(CC)s2)C1 ZINC001023599492 680264997 /nfs/dbraw/zinc/26/49/97/680264997.db2.gz LZYKYBPEIOSMFB-ZNMIVQPWSA-N 1 2 364.515 2.020 20 30 FEEDLO C=C(Br)C[N@H+]1CC[C@@H](N(C)C(=O)[C@]23CCC[C@H]2OCC3)C1 ZINC001033262989 680420672 /nfs/dbraw/zinc/42/06/72/680420672.db2.gz USZSZPRSWRUSOS-FMKPAKJESA-N 1 2 357.292 2.387 20 30 FEEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@]23CCC[C@H]2OCC3)C1 ZINC001033262989 680420673 /nfs/dbraw/zinc/42/06/73/680420673.db2.gz USZSZPRSWRUSOS-FMKPAKJESA-N 1 2 357.292 2.387 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@@H]1CC[N@H+](Cc2csnc2OC)C1 ZINC001033959145 680429081 /nfs/dbraw/zinc/42/90/81/680429081.db2.gz BTGIRPDAHVWOBN-OAGGEKHMSA-N 1 2 365.499 2.166 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@@H]1CC[N@@H+](Cc2csnc2OC)C1 ZINC001033959145 680429085 /nfs/dbraw/zinc/42/90/85/680429085.db2.gz BTGIRPDAHVWOBN-OAGGEKHMSA-N 1 2 365.499 2.166 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC2(C[NH+](Cc3ncc(C)s3)C2)CC1 ZINC001035801201 680452732 /nfs/dbraw/zinc/45/27/32/680452732.db2.gz WTBUCFWZYMZGMH-CVEARBPZSA-N 1 2 361.511 2.467 20 30 FEEDLO O=C(N[C@H]1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)C1)[C@]12C[C@H]1COC2 ZINC001007373445 680637940 /nfs/dbraw/zinc/63/79/40/680637940.db2.gz GSYDLFAIAKIGER-QRFRQXIXSA-N 1 2 358.869 2.309 20 30 FEEDLO O=C(N[C@H]1CCC[N@H+](CC#Cc2ccc(Cl)cc2)C1)[C@]12C[C@H]1COC2 ZINC001007373445 680637943 /nfs/dbraw/zinc/63/79/43/680637943.db2.gz GSYDLFAIAKIGER-QRFRQXIXSA-N 1 2 358.869 2.309 20 30 FEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCO[C@H]2c2cnn(C)c2)C1 ZINC001007519230 680645844 /nfs/dbraw/zinc/64/58/44/680645844.db2.gz MGMMEGLCIKOQLA-BBWFWOEESA-N 1 2 366.893 2.221 20 30 FEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCO[C@H]2c2cnn(C)c2)C1 ZINC001007519230 680645847 /nfs/dbraw/zinc/64/58/47/680645847.db2.gz MGMMEGLCIKOQLA-BBWFWOEESA-N 1 2 366.893 2.221 20 30 FEEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)Cn2cc[nH+]c2)C1 ZINC001007701375 680653267 /nfs/dbraw/zinc/65/32/67/680653267.db2.gz JELIJRBWIJQMEM-KSSFIOAISA-N 1 2 364.877 2.159 20 30 FEEDLO C=CCn1c(=O)c2ccc(-c3nc(C4([NH3+])CCC4)no3)cc2[nH]c1=S ZINC000842616424 680954823 /nfs/dbraw/zinc/95/48/23/680954823.db2.gz RVDTZAVGBQJTHC-UHFFFAOYSA-N 1 2 355.423 2.259 20 30 FEEDLO C#CC[C@H]1CCC[N@@H+](Cn2nc(N3CCOCC3)n(C3CC3)c2=S)C1 ZINC000842629363 680955836 /nfs/dbraw/zinc/95/58/36/680955836.db2.gz LSAQMXGSGBHZRE-HNNXBMFYSA-N 1 2 361.515 2.278 20 30 FEEDLO C#CC[C@H]1CCC[N@H+](Cn2nc(N3CCOCC3)n(C3CC3)c2=S)C1 ZINC000842629363 680955837 /nfs/dbraw/zinc/95/58/37/680955837.db2.gz LSAQMXGSGBHZRE-HNNXBMFYSA-N 1 2 361.515 2.278 20 30 FEEDLO C#CC1CC[NH+](CN2C(=O)N[C@@](C)(c3ccc(Cl)s3)C2=O)CC1 ZINC000842634287 680956030 /nfs/dbraw/zinc/95/60/30/680956030.db2.gz SAZVUPWXFZXMLW-INIZCTEOSA-N 1 2 351.859 2.471 20 30 FEEDLO CSCCNC(=S)NN=C(C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000769604811 680988688 /nfs/dbraw/zinc/98/86/88/680988688.db2.gz KWORGRHHIHNMIM-MRXNPFEDSA-N 1 2 366.556 2.090 20 30 FEEDLO CSCCNC(=S)NN=C(C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000769604811 680988689 /nfs/dbraw/zinc/98/86/89/680988689.db2.gz KWORGRHHIHNMIM-MRXNPFEDSA-N 1 2 366.556 2.090 20 30 FEEDLO C#C[C@@H](C)[N@@H+](C)Cc1nc2cc(S(=O)(=O)N(C)C)ccc2n1CCC ZINC000769962165 681001746 /nfs/dbraw/zinc/00/17/46/681001746.db2.gz YTHUIOSRAYGAEX-CQSZACIVSA-N 1 2 362.499 2.150 20 30 FEEDLO C#C[C@@H](C)[N@H+](C)Cc1nc2cc(S(=O)(=O)N(C)C)ccc2n1CCC ZINC000769962165 681001747 /nfs/dbraw/zinc/00/17/47/681001747.db2.gz YTHUIOSRAYGAEX-CQSZACIVSA-N 1 2 362.499 2.150 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2Cc1cnns1 ZINC001049779785 681038582 /nfs/dbraw/zinc/03/85/82/681038582.db2.gz WVPDQFATAADDSP-QAETUUGQSA-N 1 2 362.499 2.085 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2Cc1cnns1 ZINC001049779785 681038586 /nfs/dbraw/zinc/03/85/86/681038586.db2.gz WVPDQFATAADDSP-QAETUUGQSA-N 1 2 362.499 2.085 20 30 FEEDLO CCO[C@@H]1C[N@H+](C[C@@H](C#N)CCC#N)C[C@H]1CNC(=O)OC(C)(C)C ZINC000844410733 681057545 /nfs/dbraw/zinc/05/75/45/681057545.db2.gz UWVOAVBHBKRAKI-BZUAXINKSA-N 1 2 350.463 2.292 20 30 FEEDLO CCO[C@@H]1C[N@@H+](C[C@@H](C#N)CCC#N)C[C@H]1CNC(=O)OC(C)(C)C ZINC000844410733 681057548 /nfs/dbraw/zinc/05/75/48/681057548.db2.gz UWVOAVBHBKRAKI-BZUAXINKSA-N 1 2 350.463 2.292 20 30 FEEDLO CCC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](Nc2ncc(C#N)cc2Cl)C1 ZINC001052711397 681083231 /nfs/dbraw/zinc/08/32/31/681083231.db2.gz PFWFVELFCZGNKT-TZMCWYRMSA-N 1 2 358.833 2.157 20 30 FEEDLO C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1CNc1snc(Cl)c1C#N ZINC001054418830 681107940 /nfs/dbraw/zinc/10/79/40/681107940.db2.gz MOXKEOQJUAOBTE-GHMZBOCLSA-N 1 2 364.862 2.071 20 30 FEEDLO N#Cc1c(Cl)nsc1N[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001056810268 681156905 /nfs/dbraw/zinc/15/69/05/681156905.db2.gz JFKNJCRQASYERM-OPRDCNLKSA-N 1 2 362.846 2.208 20 30 FEEDLO N#Cc1c(Cl)nsc1N[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001056810268 681156908 /nfs/dbraw/zinc/15/69/08/681156908.db2.gz JFKNJCRQASYERM-OPRDCNLKSA-N 1 2 362.846 2.208 20 30 FEEDLO N#Cc1cnc(N[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)c(Cl)c1 ZINC001059871072 681187856 /nfs/dbraw/zinc/18/78/56/681187856.db2.gz RWCQLZKUOPPSDQ-YVECIDJPSA-N 1 2 356.817 2.193 20 30 FEEDLO N#Cc1cnc(N[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)c(Cl)c1 ZINC001059871072 681187862 /nfs/dbraw/zinc/18/78/62/681187862.db2.gz RWCQLZKUOPPSDQ-YVECIDJPSA-N 1 2 356.817 2.193 20 30 FEEDLO C=CCN(CC=C)C(=O)C[NH+]1CCC(C(=O)OCC)(C(F)(F)F)CC1 ZINC000932654566 681277645 /nfs/dbraw/zinc/27/76/45/681277645.db2.gz QVNQEXLUZZLRDL-UHFFFAOYSA-N 1 2 362.392 2.395 20 30 FEEDLO CC(C)(C)OC(=O)N[C@]1(CO)CCC[N@H+](Cc2ccc(C#N)s2)C1 ZINC000932691885 681288886 /nfs/dbraw/zinc/28/88/86/681288886.db2.gz VIHANMBYMNDPFZ-QGZVFWFLSA-N 1 2 351.472 2.471 20 30 FEEDLO CC(C)(C)OC(=O)N[C@]1(CO)CCC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC000932691885 681288891 /nfs/dbraw/zinc/28/88/91/681288891.db2.gz VIHANMBYMNDPFZ-QGZVFWFLSA-N 1 2 351.472 2.471 20 30 FEEDLO CCNC(=O)C[NH+]1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932946698 681333694 /nfs/dbraw/zinc/33/36/94/681333694.db2.gz SWKGQSJZGJADTO-BQBZGAKWSA-N 1 2 354.241 2.225 20 30 FEEDLO C#CCCN1CC[NH+](C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000776593196 681412711 /nfs/dbraw/zinc/41/27/11/681412711.db2.gz SLEWRINYMWTEQC-CQSZACIVSA-N 1 2 357.281 2.374 20 30 FEEDLO C#CCC[NH+]1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1 ZINC000779613937 681730681 /nfs/dbraw/zinc/73/06/81/681730681.db2.gz RDNGWWNAUWDHJV-UHFFFAOYSA-N 1 2 361.294 2.464 20 30 FEEDLO C#C[C@H](NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)c1ccc(Cl)cc1 ZINC000936049846 681884808 /nfs/dbraw/zinc/88/48/08/681884808.db2.gz SJOUPEDCNYJPTJ-SQNIBIBYSA-N 1 2 362.857 2.010 20 30 FEEDLO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(CC2SCCS2)CC1=O ZINC000853000056 682362882 /nfs/dbraw/zinc/36/28/82/682362882.db2.gz BEYKPBCIPWJRDK-UHFFFAOYSA-N 1 2 360.508 2.452 20 30 FEEDLO COC(=O)c1ccc(Br)c(N[NH+]=Cc2cnc(N)nc2)c1 ZINC000793113656 682864634 /nfs/dbraw/zinc/86/46/34/682864634.db2.gz PEGIZHOHSQDSCI-UHFFFAOYSA-N 1 2 350.176 2.054 20 30 FEEDLO CN(C)c1ccc(C=[NH+]NC2CCS(=O)(=O)CC2)c(C(F)(F)F)c1 ZINC000794526660 682975486 /nfs/dbraw/zinc/97/54/86/682975486.db2.gz NRONOZYHJVLERX-UHFFFAOYSA-N 1 2 363.405 2.272 20 30 FEEDLO C=CC[N@@H+](CC(=O)N1CCN(C(=O)OCC)CC1)Cc1cccs1 ZINC000921209726 683406741 /nfs/dbraw/zinc/40/67/41/683406741.db2.gz OBRGANMMFKBDPU-UHFFFAOYSA-N 1 2 351.472 2.037 20 30 FEEDLO C=CC[N@H+](CC(=O)N1CCN(C(=O)OCC)CC1)Cc1cccs1 ZINC000921209726 683406743 /nfs/dbraw/zinc/40/67/43/683406743.db2.gz OBRGANMMFKBDPU-UHFFFAOYSA-N 1 2 351.472 2.037 20 30 FEEDLO C#CC[NH+]1CCC(NC(=O)c2cc(Br)cc(F)c2O)CC1 ZINC000928660560 683483683 /nfs/dbraw/zinc/48/36/83/683483683.db2.gz QLGPXALSURGQKK-UHFFFAOYSA-N 1 2 355.207 2.121 20 30 FEEDLO N#CC1(C(=O)NCc2ccccc2C[NH+]2CCOCC2)CCSCC1 ZINC000929405253 683590489 /nfs/dbraw/zinc/59/04/89/683590489.db2.gz OKCSOUAIHDQYNI-UHFFFAOYSA-N 1 2 359.495 2.172 20 30 FEEDLO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3nc(Br)c[nH]3)C2=O)cc1 ZINC000921979916 683630489 /nfs/dbraw/zinc/63/04/89/683630489.db2.gz HSBFOHINCLSAQG-ZDUSSCGKSA-N 1 2 374.242 2.329 20 30 FEEDLO C[C@](O)(C[NH+]1CCN(c2cnccc2C#N)CC1)C(F)(F)C(F)(F)F ZINC000930551521 683750832 /nfs/dbraw/zinc/75/08/32/683750832.db2.gz FFSJVOFTZQFFOZ-ZDUSSCGKSA-N 1 2 364.318 2.024 20 30 FEEDLO N#C[C@@H](NC(=O)/C=C/C[NH+]1CCOCC1)c1ccc(Br)cc1 ZINC000864768812 683888913 /nfs/dbraw/zinc/88/89/13/683888913.db2.gz LUHPLGJKJQTHLG-BGTMTDRBSA-N 1 2 364.243 2.018 20 30 FEEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(F)(F)c2ncccc2Br)C1 ZINC000923595910 684311173 /nfs/dbraw/zinc/31/11/73/684311173.db2.gz CCTQCUDJYQUNGA-LLVKDONJSA-N 1 2 372.213 2.150 20 30 FEEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(F)(F)c2ncccc2Br)C1 ZINC000923595910 684311178 /nfs/dbraw/zinc/31/11/78/684311178.db2.gz CCTQCUDJYQUNGA-LLVKDONJSA-N 1 2 372.213 2.150 20 30 FEEDLO C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCc1cn(C)c[nH+]1 ZINC000868839173 684549105 /nfs/dbraw/zinc/54/91/05/684549105.db2.gz YSBWLGRHGYWTPR-CYBMUJFWSA-N 1 2 356.854 2.115 20 30 FEEDLO C=CC[N@@H+](CC12CC(C1)CN2C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000876630400 686232636 /nfs/dbraw/zinc/23/26/36/686232636.db2.gz YQHWDKGKKCGGOR-CSLYMUCUSA-N 1 2 370.515 2.061 20 30 FEEDLO C=CC[N@H+](CC12CC(C1)CN2C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000876630400 686232642 /nfs/dbraw/zinc/23/26/42/686232642.db2.gz YQHWDKGKKCGGOR-CSLYMUCUSA-N 1 2 370.515 2.061 20 30 FEEDLO C[C@@H]1C[N@H+](CC(=O)NCc2ccc(C#N)cc2)CC[C@@H](C(F)(F)F)O1 ZINC000880061383 686991046 /nfs/dbraw/zinc/99/10/46/686991046.db2.gz UHCFXJIVLZKOBS-DOMZBBRYSA-N 1 2 355.360 2.216 20 30 FEEDLO C[C@@H]1C[N@@H+](CC(=O)NCc2ccc(C#N)cc2)CC[C@@H](C(F)(F)F)O1 ZINC000880061383 686991051 /nfs/dbraw/zinc/99/10/51/686991051.db2.gz UHCFXJIVLZKOBS-DOMZBBRYSA-N 1 2 355.360 2.216 20 30 FEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1C[C@@H](c2cccc(Cl)c2)OC[C@@H]1C ZINC000884325643 687849194 /nfs/dbraw/zinc/84/91/94/687849194.db2.gz WSDUPLUJJOZAQW-RCBQFDQVSA-N 1 2 366.845 2.075 20 30 FEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCc2ccc(Cl)cc2[C@H](C)C1 ZINC000884383828 687860323 /nfs/dbraw/zinc/86/03/23/687860323.db2.gz VSJRUCMYTAQBSB-WBMJQRKESA-N 1 2 350.846 2.275 20 30 FEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCc1cn(C(F)F)c2ccccc12 ZINC000884439561 687871482 /nfs/dbraw/zinc/87/14/82/687871482.db2.gz JNDZRRFHQVKTDE-ZDUSSCGKSA-N 1 2 351.353 2.099 20 30 FEEDLO C#CC[N@@H+](CCS(=O)(=O)CCC)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000886427343 688253768 /nfs/dbraw/zinc/25/37/68/688253768.db2.gz HSMPHSULZYSLQA-UHFFFAOYSA-N 1 2 372.531 2.146 20 30 FEEDLO C#CC[N@H+](CCS(=O)(=O)CCC)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000886427343 688253771 /nfs/dbraw/zinc/25/37/71/688253771.db2.gz HSMPHSULZYSLQA-UHFFFAOYSA-N 1 2 372.531 2.146 20 30 FEEDLO N#Cc1cc(NC(=O)/C=C/C[NH+]2CCOCC2)ccc1Br ZINC000887995113 688532855 /nfs/dbraw/zinc/53/28/55/688532855.db2.gz YMQNSHOPELEBIO-OWOJBTEDSA-N 1 2 350.216 2.148 20 30 FEEDLO N#Cc1sc(NC(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)nc1Cl ZINC000888412735 688607620 /nfs/dbraw/zinc/60/76/20/688607620.db2.gz SAQQZFUPDOXPBW-LLVKDONJSA-N 1 2 369.878 2.387 20 30 FEEDLO Cc1cccc(C[NH+]2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 ZINC000032513975 210168605 /nfs/dbraw/zinc/16/86/05/210168605.db2.gz YIMDJSABUPFVPQ-UHFFFAOYSA-N 1 2 355.463 2.373 20 30 FEEDLO Cc1cccc(NC(=O)C[N@H+](C)C[C@H](O)COc2ccc(C#N)cc2)c1C ZINC000017741426 539643304 /nfs/dbraw/zinc/64/33/04/539643304.db2.gz NVMBNYFFGGDDRL-SFHVURJKSA-N 1 2 367.449 2.485 20 30 FEEDLO Cc1cccc(NC(=O)C[N@@H+](C)C[C@H](O)COc2ccc(C#N)cc2)c1C ZINC000017741426 539643307 /nfs/dbraw/zinc/64/33/07/539643307.db2.gz NVMBNYFFGGDDRL-SFHVURJKSA-N 1 2 367.449 2.485 20 30 FEEDLO N#Cc1ccc(F)c(CN2CC[NH+](CC(=O)NCc3ccccc3)CC2)c1 ZINC000022803120 539699735 /nfs/dbraw/zinc/69/97/35/539699735.db2.gz WBLMRIMNLWJWDD-UHFFFAOYSA-N 1 2 366.440 2.131 20 30 FEEDLO COc1ccccc1C(=O)N1CC[NH+](CCOc2ccc(C#N)cc2)CC1 ZINC000026613356 539790573 /nfs/dbraw/zinc/79/05/73/539790573.db2.gz VCSZQKFIYLOGOF-UHFFFAOYSA-N 1 2 365.433 2.404 20 30 FEEDLO C[C@@H](C(=O)Nc1cccc(F)c1)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000029447561 539854365 /nfs/dbraw/zinc/85/43/65/539854365.db2.gz SIWDDYNAXQBTJA-AWEZNQCLSA-N 1 2 353.401 2.242 20 30 FEEDLO C=CCn1c(=O)c2ccc(C(=O)NC3CC[NH+](CC)CC3)cc2[nH]c1=S ZINC000029607072 539858723 /nfs/dbraw/zinc/85/87/23/539858723.db2.gz VHXWYCZAHXVRDT-UHFFFAOYSA-N 1 2 372.494 2.085 20 30 FEEDLO C[C@@](C#N)(NC(=O)CN1CC[NH+](Cc2ccc(Cl)cc2)CC1)C1CC1 ZINC000029640867 539859932 /nfs/dbraw/zinc/85/99/32/539859932.db2.gz SLXZDPKRMURMON-IBGZPJMESA-N 1 2 360.889 2.266 20 30 FEEDLO N#Cc1cccc(CNC(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)c1 ZINC000042320771 540058267 /nfs/dbraw/zinc/05/82/67/540058267.db2.gz NQZYKNWHKQUTMN-FQEVSTJZSA-N 1 2 364.449 2.431 20 30 FEEDLO N#Cc1ccc(OC[C@@H](O)Cn2c3ccccc3[nH+]c2CCCO)cc1 ZINC000045023451 540146683 /nfs/dbraw/zinc/14/66/83/540146683.db2.gz MZPDUIIPTMPHGO-INIZCTEOSA-N 1 2 351.406 2.273 20 30 FEEDLO Cc1n[nH]cc1CCCNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000045539886 540216728 /nfs/dbraw/zinc/21/67/28/540216728.db2.gz FDYAGNHIWGQQSD-UHFFFAOYSA-N 1 2 366.469 2.050 20 30 FEEDLO COc1cccc(OCC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000047346462 540305030 /nfs/dbraw/zinc/30/50/30/540305030.db2.gz ZETXXUSVWIHWJH-UHFFFAOYSA-N 1 2 365.433 2.290 20 30 FEEDLO C[C@@H](CNC(=O)CSCc1ccc(C#N)cc1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000047855194 540331108 /nfs/dbraw/zinc/33/11/08/540331108.db2.gz NYMQRIHOXOYXIY-HRCADAONSA-N 1 2 361.511 2.405 20 30 FEEDLO C[C@@H](CNC(=O)CSCc1ccc(C#N)cc1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000047855194 540331112 /nfs/dbraw/zinc/33/11/12/540331112.db2.gz NYMQRIHOXOYXIY-HRCADAONSA-N 1 2 361.511 2.405 20 30 FEEDLO C[C@@H]1CN(c2ccc(CNC(=O)NCc3cccc(C#N)c3)c[nH+]2)CCO1 ZINC000048876923 540376001 /nfs/dbraw/zinc/37/60/01/540376001.db2.gz JQBJCEQSFDGUTB-OAHLLOKOSA-N 1 2 365.437 2.178 20 30 FEEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)c2cnc3c(cnn3C(C)C)c2)c1C#N ZINC000534792041 540413028 /nfs/dbraw/zinc/41/30/28/540413028.db2.gz DJAQDILQKBDWEI-UHFFFAOYSA-N 1 2 366.429 2.011 20 30 FEEDLO Cc1ccc(C(=O)NC2CC[NH+](CC(=O)N[C@](C)(C#N)C3CC3)CC2)s1 ZINC000051099070 540422970 /nfs/dbraw/zinc/42/29/70/540422970.db2.gz LDZFBDIJPSCSAA-LJQANCHMSA-N 1 2 374.510 2.059 20 30 FEEDLO C=CCSc1ccccc1NC(=O)C[NH+]1CCC(N2CCNC2=O)CC1 ZINC000053282912 540523505 /nfs/dbraw/zinc/52/35/05/540523505.db2.gz ULQAJTMGMZCFLS-UHFFFAOYSA-N 1 2 374.510 2.393 20 30 FEEDLO Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)C[NH+]1CCC(C#N)CC1 ZINC000057879610 540821546 /nfs/dbraw/zinc/82/15/46/540821546.db2.gz OCSBYXFADOGRGM-UHFFFAOYSA-N 1 2 365.481 2.400 20 30 FEEDLO COCC[N@H+](CCS(=O)(=O)c1ccccc1)Cc1ccc(C#N)cc1 ZINC000058397976 540841705 /nfs/dbraw/zinc/84/17/05/540841705.db2.gz VFHASORVYBXMJA-UHFFFAOYSA-N 1 2 358.463 2.481 20 30 FEEDLO COCC[N@@H+](CCS(=O)(=O)c1ccccc1)Cc1ccc(C#N)cc1 ZINC000058397976 540841708 /nfs/dbraw/zinc/84/17/08/540841708.db2.gz VFHASORVYBXMJA-UHFFFAOYSA-N 1 2 358.463 2.481 20 30 FEEDLO CCO[C@@H](C)c1noc(C[N@H+](C)CCC(=O)Nc2cccc(C#N)c2)n1 ZINC000072762497 541861639 /nfs/dbraw/zinc/86/16/39/541861639.db2.gz OZGASVONWQWGMF-ZDUSSCGKSA-N 1 2 357.414 2.499 20 30 FEEDLO CCO[C@@H](C)c1noc(C[N@@H+](C)CCC(=O)Nc2cccc(C#N)c2)n1 ZINC000072762497 541861643 /nfs/dbraw/zinc/86/16/43/541861643.db2.gz OZGASVONWQWGMF-ZDUSSCGKSA-N 1 2 357.414 2.499 20 30 FEEDLO CCO[C@H](C)c1noc(C[N@H+](C)CCC(=O)Nc2ccc(C#N)cc2)n1 ZINC000072762087 541861896 /nfs/dbraw/zinc/86/18/96/541861896.db2.gz DHMIBTJMEMNEBM-CYBMUJFWSA-N 1 2 357.414 2.499 20 30 FEEDLO CCO[C@H](C)c1noc(C[N@@H+](C)CCC(=O)Nc2ccc(C#N)cc2)n1 ZINC000072762087 541861900 /nfs/dbraw/zinc/86/19/00/541861900.db2.gz DHMIBTJMEMNEBM-CYBMUJFWSA-N 1 2 357.414 2.499 20 30 FEEDLO CCc1[nH+]c2ccccc2n1CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 ZINC000073528150 541962296 /nfs/dbraw/zinc/96/22/96/541962296.db2.gz LPWISXHFFRLVJR-SFHVURJKSA-N 1 2 353.470 2.291 20 30 FEEDLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000074134109 542041361 /nfs/dbraw/zinc/04/13/61/542041361.db2.gz WEPWFWVIWMLFHZ-HOJAQTOUSA-N 1 2 369.513 2.104 20 30 FEEDLO CCCC(=O)N1CCC[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)CC1 ZINC000075645254 542194819 /nfs/dbraw/zinc/19/48/19/542194819.db2.gz JOBYEODIZBJSEU-UHFFFAOYSA-N 1 2 353.426 2.443 20 30 FEEDLO CCCC(=O)N1CCC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)CC1 ZINC000075645254 542194823 /nfs/dbraw/zinc/19/48/23/542194823.db2.gz JOBYEODIZBJSEU-UHFFFAOYSA-N 1 2 353.426 2.443 20 30 FEEDLO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000075673441 542196866 /nfs/dbraw/zinc/19/68/66/542196866.db2.gz SXVINERIAWGTHN-MRXNPFEDSA-N 1 2 353.426 2.441 20 30 FEEDLO CCN(CC)C(=O)[C@H]1CCC[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000075673441 542196872 /nfs/dbraw/zinc/19/68/72/542196872.db2.gz SXVINERIAWGTHN-MRXNPFEDSA-N 1 2 353.426 2.441 20 30 FEEDLO Cc1cccn2cc(CN3C(=O)N[C@](C)(c4cccc(C#N)c4)C3=O)[nH+]c12 ZINC000076940367 542331428 /nfs/dbraw/zinc/33/14/28/542331428.db2.gz ADHMCIJGWZQUCA-HXUWFJFHSA-N 1 2 359.389 2.482 20 30 FEEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH+]2CCC(CO)CC2)c1C#N ZINC000076991658 542339637 /nfs/dbraw/zinc/33/96/37/542339637.db2.gz DWTDYJPDGYHKOV-UHFFFAOYSA-N 1 2 370.453 2.261 20 30 FEEDLO CN(CC[NH+]1CCOCC1)c1c(C#N)cnc2ccc(OC(F)F)cc21 ZINC000077963062 542433605 /nfs/dbraw/zinc/43/36/05/542433605.db2.gz XRIFUMTUNPOWOJ-UHFFFAOYSA-N 1 2 362.380 2.476 20 30 FEEDLO NC(CN1CCOCC1)=[NH+]OCc1cc(-c2ccc(Cl)cc2)no1 ZINC000078639981 542473652 /nfs/dbraw/zinc/47/36/52/542473652.db2.gz XUPDAHKIMWEUDB-UHFFFAOYSA-N 1 2 350.806 2.116 20 30 FEEDLO N#Cc1cccc([C@@H]2C[C@H]2C(=O)NCc2cc[nH+]c(N3CCOCC3)c2)c1 ZINC000080875791 542611834 /nfs/dbraw/zinc/61/18/34/542611834.db2.gz VZKDBAGAAYWZNA-RBUKOAKNSA-N 1 2 362.433 2.210 20 30 FEEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@H]1c1nc2ccccc2n1CC ZINC000084116869 542708121 /nfs/dbraw/zinc/70/81/21/542708121.db2.gz UNSIJVARDQPVMA-INIZCTEOSA-N 1 2 355.442 2.205 20 30 FEEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H]1c1nc2ccccc2n1CC ZINC000084116869 542708124 /nfs/dbraw/zinc/70/81/24/542708124.db2.gz UNSIJVARDQPVMA-INIZCTEOSA-N 1 2 355.442 2.205 20 30 FEEDLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1Cc1cccc(OCc2ccccc2C#N)c1 ZINC000093103324 542909071 /nfs/dbraw/zinc/90/90/71/542909071.db2.gz KHWADDBURIFKIU-QUCCMNQESA-N 1 2 366.417 2.245 20 30 FEEDLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+]1Cc1cccc(OCc2ccccc2C#N)c1 ZINC000093103324 542909073 /nfs/dbraw/zinc/90/90/73/542909073.db2.gz KHWADDBURIFKIU-QUCCMNQESA-N 1 2 366.417 2.245 20 30 FEEDLO C=CCOc1ccc(C[NH+]2CCN([C@@H](C)C(=O)N3CCCC3)CC2)cc1 ZINC000093843157 542942212 /nfs/dbraw/zinc/94/22/12/542942212.db2.gz VJAUZTSILBEWOJ-SFHVURJKSA-N 1 2 357.498 2.380 20 30 FEEDLO C=CCOc1ccc(CN2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)cc1 ZINC000093843157 542942215 /nfs/dbraw/zinc/94/22/15/542942215.db2.gz VJAUZTSILBEWOJ-SFHVURJKSA-N 1 2 357.498 2.380 20 30 FEEDLO CCc1cccc(CC)c1NC(=O)CN(CCC#N)CC[NH+]1CCOCC1 ZINC000096981445 543000758 /nfs/dbraw/zinc/00/07/58/543000758.db2.gz XIKOFOFGHZRVPN-UHFFFAOYSA-N 1 2 372.513 2.298 20 30 FEEDLO N#Cc1cc(F)ccc1NC(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000097473021 543012375 /nfs/dbraw/zinc/01/23/75/543012375.db2.gz UGFOCGQJSRQRJR-UHFFFAOYSA-N 1 2 355.373 2.251 20 30 FEEDLO C[C@H](C1CC1)N(C(=O)C[NH+]1CCN(c2ccccc2C#N)CC1)C1CC1 ZINC000101554343 543032311 /nfs/dbraw/zinc/03/23/11/543032311.db2.gz UHJWYKDXTQZQQX-MRXNPFEDSA-N 1 2 352.482 2.470 20 30 FEEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000101558368 543032559 /nfs/dbraw/zinc/03/25/59/543032559.db2.gz DOTSJDJBIHMFSU-INIZCTEOSA-N 1 2 356.445 2.408 20 30 FEEDLO C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)c1ccc(C#N)cn1 ZINC000107475763 543271582 /nfs/dbraw/zinc/27/15/82/543271582.db2.gz CYVRENSZMMEKJP-QGZVFWFLSA-N 1 2 364.449 2.316 20 30 FEEDLO CC(C)(C)c1nc(CON=C(N)c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000109062705 543312814 /nfs/dbraw/zinc/31/28/14/543312814.db2.gz GXZFVCKHFMVDLZ-UHFFFAOYSA-N 1 2 373.457 2.036 20 30 FEEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000110956620 543376122 /nfs/dbraw/zinc/37/61/22/543376122.db2.gz AUGRMPREGCFMNR-FUHWJXTLSA-N 1 2 357.454 2.039 20 30 FEEDLO C=CCOc1ccccc1CNC(=O)N1CC[C@@H]([NH+]2CCN(CC)CC2)C1 ZINC000111886272 543423575 /nfs/dbraw/zinc/42/35/75/543423575.db2.gz WORWKGDYRFGBDF-LJQANCHMSA-N 1 2 372.513 2.173 20 30 FEEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C[C@H](c2ccccc2)C(C)C)CC1 ZINC000112904570 543466662 /nfs/dbraw/zinc/46/66/62/543466662.db2.gz BDUCGLOIHDKTGP-FQEVSTJZSA-N 1 2 369.509 2.100 20 30 FEEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C[C@H](c2ccccc2)C(C)C)CC1 ZINC000112904570 543466665 /nfs/dbraw/zinc/46/66/65/543466665.db2.gz BDUCGLOIHDKTGP-FQEVSTJZSA-N 1 2 369.509 2.100 20 30 FEEDLO CCCNC(=O)c1cccc(C[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)c1 ZINC000115597244 543577008 /nfs/dbraw/zinc/57/70/08/543577008.db2.gz JUTAPRLYUQUGTR-GOSISDBHSA-N 1 2 350.422 2.014 20 30 FEEDLO C[C@@H]1CCC[C@H](NC(=O)C[NH+]2CCN(CC#Cc3ccc(F)cc3)CC2)C1 ZINC000121203939 543690533 /nfs/dbraw/zinc/69/05/33/543690533.db2.gz GOZVWAIZFMKXBN-NQIIRXRSSA-N 1 2 371.500 2.490 20 30 FEEDLO C=CCN(C(=O)Nc1cccc(-c2[nH+]ccn2C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000120488238 543680669 /nfs/dbraw/zinc/68/06/69/543680669.db2.gz SRMSDBFPNCXOEW-INIZCTEOSA-N 1 2 374.466 2.294 20 30 FEEDLO COc1cc(C#N)ccc1CN1CC[NH+](CC(=O)N2CCCCCC2)CC1 ZINC000120539117 543681663 /nfs/dbraw/zinc/68/16/63/543681663.db2.gz NNVCCXMYPPSSNH-UHFFFAOYSA-N 1 2 370.497 2.087 20 30 FEEDLO COc1cc(C#N)ccc1C[NH+]1CCN(CC(=O)N2CCCCCC2)CC1 ZINC000120539117 543681667 /nfs/dbraw/zinc/68/16/67/543681667.db2.gz NNVCCXMYPPSSNH-UHFFFAOYSA-N 1 2 370.497 2.087 20 30 FEEDLO N#CC1(C(=O)NCc2ccccc2OCC[NH+]2CCOCC2)CCCCC1 ZINC000124681557 543836583 /nfs/dbraw/zinc/83/65/83/543836583.db2.gz CKMUZAXIPZVYGX-UHFFFAOYSA-N 1 2 371.481 2.488 20 30 FEEDLO C=CCOc1ccc(CN2CC[NH+](CC(=O)NCC)CC2)cc1Cl ZINC000129157985 544094513 /nfs/dbraw/zinc/09/45/13/544094513.db2.gz UOWCHEYYUCMELO-UHFFFAOYSA-N 1 2 351.878 2.159 20 30 FEEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000132838140 544245504 /nfs/dbraw/zinc/24/55/04/544245504.db2.gz IFFKYZRRNRTAFW-XJKSGUPXSA-N 1 2 358.442 2.484 20 30 FEEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000132838140 544245505 /nfs/dbraw/zinc/24/55/05/544245505.db2.gz IFFKYZRRNRTAFW-XJKSGUPXSA-N 1 2 358.442 2.484 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)NCc2ccccc2-n2cc[nH+]c2)c(F)c1 ZINC000151099153 544504868 /nfs/dbraw/zinc/50/48/68/544504868.db2.gz JDJNMXDTYSWROB-UHFFFAOYSA-N 1 2 356.382 2.362 20 30 FEEDLO Cn1cc(N2CC[NH+](CC#Cc3ccc(OC(F)(F)F)cc3)CC2)cn1 ZINC000154204802 544876487 /nfs/dbraw/zinc/87/64/87/544876487.db2.gz KNMFOWXOHWNUML-UHFFFAOYSA-N 1 2 364.371 2.492 20 30 FEEDLO Cc1ccc(-c2n[nH]cc2CN(CCC#N)CC[NH+]2CCOCC2)cc1 ZINC000154812609 544952543 /nfs/dbraw/zinc/95/25/43/544952543.db2.gz KUGHMMZNIZAOLN-UHFFFAOYSA-N 1 2 353.470 2.433 20 30 FEEDLO CS(=O)(=O)N1CCc2c1cccc2NCc1c[nH+]c2ccc(C#N)cn12 ZINC000184214700 327856594 /nfs/dbraw/zinc/85/65/94/327856594.db2.gz QMEGVTUDHLMFCS-UHFFFAOYSA-N 1 2 367.434 2.140 20 30 FEEDLO N#Cc1c(F)cccc1C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000187483030 328029261 /nfs/dbraw/zinc/02/92/61/328029261.db2.gz KILSWGFWYXYKGV-UHFFFAOYSA-N 1 2 353.397 2.460 20 30 FEEDLO COc1ccc(OC)c(C[NH+]2CCN(Cc3cc(C#N)n(C)c3)CC2)c1 ZINC000191177998 328252939 /nfs/dbraw/zinc/25/29/39/328252939.db2.gz BXUKFTNCNFMNHQ-UHFFFAOYSA-N 1 2 354.454 2.232 20 30 FEEDLO COc1ccc(OC)c(CN2CC[NH+](Cc3cc(C#N)n(C)c3)CC2)c1 ZINC000191177998 328252940 /nfs/dbraw/zinc/25/29/40/328252940.db2.gz BXUKFTNCNFMNHQ-UHFFFAOYSA-N 1 2 354.454 2.232 20 30 FEEDLO Cn1cc[nH+]c1[C@H](NS(=O)(=O)c1ccccc1C#N)c1cccc(F)c1 ZINC000017521967 324389217 /nfs/dbraw/zinc/38/92/17/324389217.db2.gz VYGFTDWVIRIKER-QGZVFWFLSA-N 1 2 370.409 2.499 20 30 FEEDLO N#Cc1ccc(CNC(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000048215461 324657739 /nfs/dbraw/zinc/65/77/39/324657739.db2.gz RQELYQDIRLOLGO-HXUWFJFHSA-N 1 2 364.449 2.431 20 30 FEEDLO Cc1cc(C#N)ccc1S(=O)(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000077373885 324988917 /nfs/dbraw/zinc/98/89/17/324988917.db2.gz LTNGCAUYRMVTEA-UHFFFAOYSA-N 1 2 356.451 2.340 20 30 FEEDLO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCn2c(nnc2C(F)(F)F)C1 ZINC000077897628 325024337 /nfs/dbraw/zinc/02/43/37/325024337.db2.gz WQFXWDCEZSCEKR-UHFFFAOYSA-N 1 2 364.331 2.013 20 30 FEEDLO N#Cc1ccccc1NC(=O)CC[N@H+]1CCn2c(nnc2C(F)(F)F)C1 ZINC000077897628 325024338 /nfs/dbraw/zinc/02/43/38/325024338.db2.gz WQFXWDCEZSCEKR-UHFFFAOYSA-N 1 2 364.331 2.013 20 30 FEEDLO N#Cc1cccnc1N1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000117748142 326068904 /nfs/dbraw/zinc/06/89/04/326068904.db2.gz VPAKUSSNENCFFT-UHFFFAOYSA-N 1 2 358.405 2.101 20 30 FEEDLO C[C@@H]1CN(c2ccc(CNC(=O)c3c(F)cc(C#N)cc3F)c[nH+]2)CCO1 ZINC000120800527 326289055 /nfs/dbraw/zinc/28/90/55/326289055.db2.gz CBARZPUYMFCJEP-GFCCVEGCSA-N 1 2 372.375 2.387 20 30 FEEDLO N#Cc1ccc(NC(=O)C(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)cc1Cl ZINC000121565395 326348303 /nfs/dbraw/zinc/34/83/03/326348303.db2.gz KZVLEEMXWFEWQK-HNNXBMFYSA-N 1 2 370.796 2.225 20 30 FEEDLO COc1ccc(C#N)cc1C[NH+]1CCN(Cc2nccn2C(F)F)CC1 ZINC000126859632 326496261 /nfs/dbraw/zinc/49/62/61/326496261.db2.gz VXGCBIPGVCZKDF-UHFFFAOYSA-N 1 2 361.396 2.476 20 30 FEEDLO N#Cc1ccc(N2CCC[C@H](NC(=O)[C@@H]3CCn4c[nH+]cc4C3)C2)c(F)c1 ZINC000152419786 326706921 /nfs/dbraw/zinc/70/69/21/326706921.db2.gz LAHFZIWURYUHJI-CVEARBPZSA-N 1 2 367.428 2.241 20 30 FEEDLO COCCCOc1cccc(C[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)c1 ZINC000154842835 326770496 /nfs/dbraw/zinc/77/04/96/326770496.db2.gz LPMLXAYOXRMWSJ-IBGZPJMESA-N 1 2 353.422 2.290 20 30 FEEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)COc1ccccc1C#N ZINC000155621712 326796610 /nfs/dbraw/zinc/79/66/10/326796610.db2.gz CVCYOBUQBGDYDV-UHFFFAOYSA-N 1 2 352.394 2.116 20 30 FEEDLO CC(=O)N1CC[NH+](CCNc2c(C#N)cnc3c(C)cc(F)cc32)CC1 ZINC000266342569 329213338 /nfs/dbraw/zinc/21/33/38/329213338.db2.gz IJFXOMFNPNRMFD-UHFFFAOYSA-N 1 2 355.417 2.130 20 30 FEEDLO COC(=O)[C@H](c1cccc(C#N)c1)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000267689414 329350027 /nfs/dbraw/zinc/35/00/27/329350027.db2.gz NSTNSWLOUDXAAP-NRFANRHFSA-N 1 2 374.444 2.462 20 30 FEEDLO N#Cc1ccc(N2CCC[C@@H](c3n[nH]cc3C[NH+]3CCOCC3)C2)cc1 ZINC000275736673 330083070 /nfs/dbraw/zinc/08/30/70/330083070.db2.gz VAXMDWMFVYOQIW-QGZVFWFLSA-N 1 2 351.454 2.498 20 30 FEEDLO N#Cc1ccc(NCCCn2cc[nH+]c2)nc1NCCCn1ccnc1 ZINC000276429226 330150813 /nfs/dbraw/zinc/15/08/13/330150813.db2.gz JJEAAPIMXPPAFJ-UHFFFAOYSA-N 1 2 350.430 2.351 20 30 FEEDLO N#Cc1ccc(NCCCn2ccnc2)nc1NCCCn1cc[nH+]c1 ZINC000276429226 330150815 /nfs/dbraw/zinc/15/08/15/330150815.db2.gz JJEAAPIMXPPAFJ-UHFFFAOYSA-N 1 2 350.430 2.351 20 30 FEEDLO N#CCC[C@H](C#N)C[NH2+]Cc1ccccc1S(=O)(=O)N1CCCCC1 ZINC000554452518 674317738 /nfs/dbraw/zinc/31/77/38/674317738.db2.gz HNKIKDWDPBFJIH-MRXNPFEDSA-N 1 2 360.483 2.394 20 30 FEEDLO CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1)C(=O)NCc1ccnn1C ZINC000328647213 523084525 /nfs/dbraw/zinc/08/45/25/523084525.db2.gz TUYQDTCQKDJPRD-ZFWWWQNUSA-N 1 2 365.478 2.440 20 30 FEEDLO CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1)C(=O)NCc1ccnn1C ZINC000328647213 523084531 /nfs/dbraw/zinc/08/45/31/523084531.db2.gz TUYQDTCQKDJPRD-ZFWWWQNUSA-N 1 2 365.478 2.440 20 30 FEEDLO N#Cc1ccncc1N1CC[NH+](Cc2cnn(CC(F)(F)F)c2)CC1 ZINC000555685912 674372321 /nfs/dbraw/zinc/37/23/21/674372321.db2.gz JXGSJSADXXRJJK-UHFFFAOYSA-N 1 2 350.348 2.034 20 30 FEEDLO N#Cc1cc(C(=O)N2CC[C@H](Oc3ccc[nH+]c3N3CCCC3)C2)c[nH]1 ZINC000275512773 526541927 /nfs/dbraw/zinc/54/19/27/526541927.db2.gz DGSPNZJYQGPUMJ-INIZCTEOSA-N 1 2 351.410 2.175 20 30 FEEDLO Cn1c2c([nH+]c1[C@@H]1CCCN1CC(=O)N[C@@](C)(C#N)C1CC1)CCCC2 ZINC000275569605 527093045 /nfs/dbraw/zinc/09/30/45/527093045.db2.gz FFRUBXQRFZIFLJ-PXNSSMCTSA-N 1 2 355.486 2.244 20 30 FEEDLO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N([C@H]2[C@H]3CCO[C@@H]3C2(C)C)CC1=O ZINC000157849818 545792397 /nfs/dbraw/zinc/79/23/97/545792397.db2.gz FDXLWGDKQMMADO-UUWFMWQGSA-N 1 2 366.465 2.460 20 30 FEEDLO CO[C@@H]1CC[C@H]2OCC[N@H+](CC(=O)Nc3ccc(C#N)c(Cl)c3)[C@@H]2C1 ZINC000158004226 545809897 /nfs/dbraw/zinc/80/98/97/545809897.db2.gz BTYHBOFAJIFRTF-DJIMGWMZSA-N 1 2 363.845 2.418 20 30 FEEDLO CO[C@@H]1CC[C@H]2OCC[N@@H+](CC(=O)Nc3ccc(C#N)c(Cl)c3)[C@@H]2C1 ZINC000158004226 545809902 /nfs/dbraw/zinc/80/99/02/545809902.db2.gz BTYHBOFAJIFRTF-DJIMGWMZSA-N 1 2 363.845 2.418 20 30 FEEDLO CC#CC[NH+]1CCN(CC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 ZINC000158491717 545866207 /nfs/dbraw/zinc/86/62/07/545866207.db2.gz DVFMNXJCXHMDGR-UHFFFAOYSA-N 1 2 355.360 2.165 20 30 FEEDLO C[C@H](c1cccc(F)c1)[NH+]1CCN(CC(=O)N[C@@](C)(C#N)C2CC2)CC1 ZINC000159482722 545957380 /nfs/dbraw/zinc/95/73/80/545957380.db2.gz KNKGPGBBFJBTEQ-QRWLVFNGSA-N 1 2 358.461 2.313 20 30 FEEDLO C[C@@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN(Cc3ccc(F)c(C#N)c3)CC2)C1 ZINC000160593155 546054537 /nfs/dbraw/zinc/05/45/37/546054537.db2.gz ZHUFZFQZEHLZCU-CALCHBBNSA-N 1 2 372.488 2.319 20 30 FEEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000161424963 546127906 /nfs/dbraw/zinc/12/79/06/546127906.db2.gz MKAMYESXDWQFMZ-OCCSQVGLSA-N 1 2 361.408 2.353 20 30 FEEDLO C[NH+](C)[C@H](CNC(=O)Nc1ccn(CCC#N)n1)c1c(F)cccc1F ZINC000173338696 546277878 /nfs/dbraw/zinc/27/78/78/546277878.db2.gz ZBYYNGFIYIZCPZ-CQSZACIVSA-N 1 2 362.384 2.499 20 30 FEEDLO C[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)C[C@@H]1COc2ccccc2O1 ZINC000176193584 546418041 /nfs/dbraw/zinc/41/80/41/546418041.db2.gz VGTQRZSCWUYUBE-MRXNPFEDSA-N 1 2 372.446 2.104 20 30 FEEDLO C[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)C[C@@H]1COc2ccccc2O1 ZINC000176193584 546418043 /nfs/dbraw/zinc/41/80/43/546418043.db2.gz VGTQRZSCWUYUBE-MRXNPFEDSA-N 1 2 372.446 2.104 20 30 FEEDLO O=C(C[NH+]1CCN(CC#Cc2ccc(Cl)cc2)CC1)N1CCCCC1 ZINC000176994143 546520519 /nfs/dbraw/zinc/52/05/19/546520519.db2.gz ZRBAAJINOLXSFW-UHFFFAOYSA-N 1 2 359.901 2.322 20 30 FEEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000177287180 546587076 /nfs/dbraw/zinc/58/70/76/546587076.db2.gz ISVFJCBSFDQQCJ-UNRBTCAZSA-N 1 2 361.408 2.305 20 30 FEEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000177287180 546587085 /nfs/dbraw/zinc/58/70/85/546587085.db2.gz ISVFJCBSFDQQCJ-UNRBTCAZSA-N 1 2 361.408 2.305 20 30 FEEDLO C=C(C)Cn1c(SCC(=O)NCc2[nH+]ccn2C)nnc1-c1ccco1 ZINC000481435490 561232763 /nfs/dbraw/zinc/23/27/63/561232763.db2.gz RASDHKRWOIKKAH-UHFFFAOYSA-N 1 2 372.454 2.256 20 30 FEEDLO C=CCOC[C@H](NC(=O)c1cccc(Oc2cc[nH+]cc2)c1)C(=O)OC ZINC000481762090 561241238 /nfs/dbraw/zinc/24/12/38/561241238.db2.gz AMFBAACQVQSBSK-KRWDZBQOSA-N 1 2 356.378 2.348 20 30 FEEDLO Cc1[nH+]c2cc(C)ccn2c1CN1CCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC000179969961 547034377 /nfs/dbraw/zinc/03/43/77/547034377.db2.gz OYPFGANASGPSBG-UHFFFAOYSA-N 1 2 362.437 2.109 20 30 FEEDLO Cc1nc2cc(C)ccn2c1C[NH+]1CCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC000179969961 547034380 /nfs/dbraw/zinc/03/43/80/547034380.db2.gz OYPFGANASGPSBG-UHFFFAOYSA-N 1 2 362.437 2.109 20 30 FEEDLO C=CCCC[C@@H](C)NC(=O)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000180928928 547211716 /nfs/dbraw/zinc/21/17/16/547211716.db2.gz UMTSSRXKBBWFRE-MRXNPFEDSA-N 1 2 359.470 2.318 20 30 FEEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN(Cc2nc3ccccc3[nH]2)CC1 ZINC000180995486 547227270 /nfs/dbraw/zinc/22/72/70/547227270.db2.gz QEJQOAODBVPITA-KRWDZBQOSA-N 1 2 369.513 2.494 20 30 FEEDLO CC(C)C(=O)N1CCC[N@@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000182742148 547544362 /nfs/dbraw/zinc/54/43/62/547544362.db2.gz LZRUXGXQWCXFOO-LJQANCHMSA-N 1 2 368.481 2.244 20 30 FEEDLO CC(C)C(=O)N1CCC[N@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000182742148 547544366 /nfs/dbraw/zinc/54/43/66/547544366.db2.gz LZRUXGXQWCXFOO-LJQANCHMSA-N 1 2 368.481 2.244 20 30 FEEDLO Cc1nc(N2CCN(Cc3nnc(-c4ccc(C#N)cc4)o3)CC2)cc[nH+]1 ZINC000183807792 547722811 /nfs/dbraw/zinc/72/28/11/547722811.db2.gz DUGKYMANAZOJET-UHFFFAOYSA-N 1 2 361.409 2.029 20 30 FEEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCCN(c2ccccn2)CC1 ZINC000183841979 547727920 /nfs/dbraw/zinc/72/79/20/547727920.db2.gz RBQCGSDBVPISEP-LJQANCHMSA-N 1 2 350.422 2.380 20 30 FEEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCCN(c2ccccn2)CC1 ZINC000183841979 547727924 /nfs/dbraw/zinc/72/79/24/547727924.db2.gz RBQCGSDBVPISEP-LJQANCHMSA-N 1 2 350.422 2.380 20 30 FEEDLO COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)C[N@H+](CCC#N)CCC(C)C ZINC000484916675 561308707 /nfs/dbraw/zinc/30/87/07/561308707.db2.gz CDUCJGWEZOKSMN-IBGZPJMESA-N 1 2 371.481 2.375 20 30 FEEDLO COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)C[N@@H+](CCC#N)CCC(C)C ZINC000484916675 561308708 /nfs/dbraw/zinc/30/87/08/561308708.db2.gz CDUCJGWEZOKSMN-IBGZPJMESA-N 1 2 371.481 2.375 20 30 FEEDLO N#Cc1cc(Cl)ccc1CN1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC000186441015 548135236 /nfs/dbraw/zinc/13/52/36/548135236.db2.gz HCTSFZWYRBJTQV-UHFFFAOYSA-N 1 2 360.889 2.342 20 30 FEEDLO C=CCn1c(SCC[N@@H+]2CCO[C@@H](C)C2)nc2sccc2c1=O ZINC000188231277 548275583 /nfs/dbraw/zinc/27/55/83/548275583.db2.gz VRYGFENQCJXUNO-LBPRGKRZSA-N 1 2 351.497 2.457 20 30 FEEDLO C=CCn1c(SCC[N@H+]2CCO[C@@H](C)C2)nc2sccc2c1=O ZINC000188231277 548275586 /nfs/dbraw/zinc/27/55/86/548275586.db2.gz VRYGFENQCJXUNO-LBPRGKRZSA-N 1 2 351.497 2.457 20 30 FEEDLO COC[C@@H]1C[N@H+](CC(=O)N(CCC#N)c2ccc(C)c(C)c2)C[C@@H](C)O1 ZINC000189434427 548302329 /nfs/dbraw/zinc/30/23/29/548302329.db2.gz DXBRTDGAQHNYHY-MJGOQNOKSA-N 1 2 359.470 2.286 20 30 FEEDLO COC[C@@H]1C[N@@H+](CC(=O)N(CCC#N)c2ccc(C)c(C)c2)C[C@@H](C)O1 ZINC000189434427 548302333 /nfs/dbraw/zinc/30/23/33/548302333.db2.gz DXBRTDGAQHNYHY-MJGOQNOKSA-N 1 2 359.470 2.286 20 30 FEEDLO C=CCC[C@@H](O)C[N@@H+]1CCNC(=O)[C@@H]1c1ccc(OC(F)(F)F)cc1 ZINC000190141160 548318544 /nfs/dbraw/zinc/31/85/44/548318544.db2.gz PPEGWOOTRNVLPC-HIFRSBDPSA-N 1 2 358.360 2.385 20 30 FEEDLO C=CCC[C@@H](O)C[N@H+]1CCNC(=O)[C@@H]1c1ccc(OC(F)(F)F)cc1 ZINC000190141160 548318547 /nfs/dbraw/zinc/31/85/47/548318547.db2.gz PPEGWOOTRNVLPC-HIFRSBDPSA-N 1 2 358.360 2.385 20 30 FEEDLO C=CCCC[C@H](C)NC(=O)NCC1([NH+]2CCOCC2)CC(OCC)C1 ZINC000192512065 548365902 /nfs/dbraw/zinc/36/59/02/548365902.db2.gz MAAGSGOPJXYRFL-MUYFXNHWSA-N 1 2 353.507 2.300 20 30 FEEDLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000193124344 548380211 /nfs/dbraw/zinc/38/02/11/548380211.db2.gz WLDVYCWWSFDEBK-WOJBJXKFSA-N 1 2 364.445 2.495 20 30 FEEDLO COC(=O)[C@H]1C[C@@H](O)C[N@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000193124344 548380217 /nfs/dbraw/zinc/38/02/17/548380217.db2.gz WLDVYCWWSFDEBK-WOJBJXKFSA-N 1 2 364.445 2.495 20 30 FEEDLO C=CCSc1ccccc1C(=O)N1CCC[N@@H+](CC(=O)NCC)CC1 ZINC000486491712 561348779 /nfs/dbraw/zinc/34/87/79/561348779.db2.gz WIAKSVCORPVZGY-UHFFFAOYSA-N 1 2 361.511 2.249 20 30 FEEDLO C=CCSc1ccccc1C(=O)N1CCC[N@H+](CC(=O)NCC)CC1 ZINC000486491712 561348780 /nfs/dbraw/zinc/34/87/80/561348780.db2.gz WIAKSVCORPVZGY-UHFFFAOYSA-N 1 2 361.511 2.249 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)COc1cccc2ccccc21 ZINC000194058673 548430027 /nfs/dbraw/zinc/43/00/27/548430027.db2.gz SLXXDFKMPIQKFE-UHFFFAOYSA-N 1 2 367.449 2.293 20 30 FEEDLO C=CCCC[C@@H](C)NC(=O)C(=O)N(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000487758513 561375097 /nfs/dbraw/zinc/37/50/97/561375097.db2.gz WZKNMSDTEKRBAV-GFCCVEGCSA-N 1 2 360.380 2.265 20 30 FEEDLO CO[C@@H]1C[N@H+](CC(=O)Nc2ccccc2SC[C@@H](C)C#N)C[C@@H]1OC ZINC000488037748 561381900 /nfs/dbraw/zinc/38/19/00/561381900.db2.gz WGQQCEREXCTXGB-CWRNSKLLSA-N 1 2 363.483 2.222 20 30 FEEDLO CO[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2SC[C@@H](C)C#N)C[C@@H]1OC ZINC000488037748 561381901 /nfs/dbraw/zinc/38/19/01/561381901.db2.gz WGQQCEREXCTXGB-CWRNSKLLSA-N 1 2 363.483 2.222 20 30 FEEDLO CCCC(=O)NC[C@@H]1CCC[N@@H+]([C@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000246522951 549151752 /nfs/dbraw/zinc/15/17/52/549151752.db2.gz RIUGPWKQXMKKCV-HOCLYGCPSA-N 1 2 374.510 2.353 20 30 FEEDLO CCCC(=O)NC[C@@H]1CCC[N@H+]([C@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000246522951 549151755 /nfs/dbraw/zinc/15/17/55/549151755.db2.gz RIUGPWKQXMKKCV-HOCLYGCPSA-N 1 2 374.510 2.353 20 30 FEEDLO N#Cc1ccccc1N1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)CC1 ZINC000488893206 561398963 /nfs/dbraw/zinc/39/89/63/561398963.db2.gz UMOMFYHTRLUWGB-UHFFFAOYSA-N 1 2 358.405 2.101 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)NCc2cn3cc(Cl)ccc3[nH+]2)cc1F ZINC000489103703 561403314 /nfs/dbraw/zinc/40/33/14/561403314.db2.gz HOWSOCZWSSSNCC-UHFFFAOYSA-N 1 2 364.789 2.477 20 30 FEEDLO C[N@@H+]1CC[C@@H](NS(=O)(=O)CC2(C#N)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000248658290 549478357 /nfs/dbraw/zinc/47/83/57/549478357.db2.gz XWGGRYRHFDZCRU-HUUCEWRRSA-N 1 2 371.865 2.447 20 30 FEEDLO C[N@H+]1CC[C@@H](NS(=O)(=O)CC2(C#N)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000248658290 549478362 /nfs/dbraw/zinc/47/83/62/549478362.db2.gz XWGGRYRHFDZCRU-HUUCEWRRSA-N 1 2 371.865 2.447 20 30 FEEDLO COCC[N@H+](CC(=O)NC1(C#N)CCCCC1)Cc1scnc1C ZINC000489460059 561411758 /nfs/dbraw/zinc/41/17/58/561411758.db2.gz UHROIXNTMLBJGA-UHFFFAOYSA-N 1 2 350.488 2.243 20 30 FEEDLO COCC[N@@H+](CC(=O)NC1(C#N)CCCCC1)Cc1scnc1C ZINC000489460059 561411759 /nfs/dbraw/zinc/41/17/59/561411759.db2.gz UHROIXNTMLBJGA-UHFFFAOYSA-N 1 2 350.488 2.243 20 30 FEEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CCCN(C(=O)Oc2ccccc2)CC1)C1CC1 ZINC000263702120 549922194 /nfs/dbraw/zinc/92/21/94/549922194.db2.gz NRUDWWWGMIDJHO-HXUWFJFHSA-N 1 2 370.453 2.002 20 30 FEEDLO C[C@](C#N)(NC(=O)C[N@H+]1CCCN(C(=O)Oc2ccccc2)CC1)C1CC1 ZINC000263702120 549922197 /nfs/dbraw/zinc/92/21/97/549922197.db2.gz NRUDWWWGMIDJHO-HXUWFJFHSA-N 1 2 370.453 2.002 20 30 FEEDLO C=C1CC[NH+](CC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)CC1 ZINC000264448632 549995824 /nfs/dbraw/zinc/99/58/24/549995824.db2.gz HMCOSBLSGGCMMP-UHFFFAOYSA-N 1 2 363.483 2.062 20 30 FEEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCc1[nH+]ccn1C ZINC000264515936 549997438 /nfs/dbraw/zinc/99/74/38/549997438.db2.gz APBVCJSDJSLUSA-LBPRGKRZSA-N 1 2 357.439 2.069 20 30 FEEDLO CC(=O)NC(C)(C)C(N)=[NH+]OCc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000264837077 550002266 /nfs/dbraw/zinc/00/22/66/550002266.db2.gz VSNBSVGKIFGYFP-UHFFFAOYSA-N 1 2 352.391 2.086 20 30 FEEDLO COc1cccc(CNC(=O)[C@H](C)O[NH+]=C(N)[C@H](C)OCC(C)C)c1 ZINC000266223265 550018454 /nfs/dbraw/zinc/01/84/54/550018454.db2.gz RSCYEYZNUQLKCS-KBPBESRZSA-N 1 2 351.447 2.050 20 30 FEEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN(Cc2csc([C@H](C)OCC)n2)CC1 ZINC000266575371 550021660 /nfs/dbraw/zinc/02/16/60/550021660.db2.gz FVRNDAXNOBRQCX-CABCVRRESA-N 1 2 366.531 2.049 20 30 FEEDLO CCOC(=O)c1cnn(C)c1NC(=O)C[N@H+](CCC#N)CC(CC)CC ZINC000266727383 550023293 /nfs/dbraw/zinc/02/32/93/550023293.db2.gz JRIRXDATHCVSPJ-UHFFFAOYSA-N 1 2 363.462 2.187 20 30 FEEDLO CCOC(=O)c1cnn(C)c1NC(=O)C[N@@H+](CCC#N)CC(CC)CC ZINC000266727383 550023294 /nfs/dbraw/zinc/02/32/94/550023294.db2.gz JRIRXDATHCVSPJ-UHFFFAOYSA-N 1 2 363.462 2.187 20 30 FEEDLO COc1ccc(C(N)=[NH+]OCC(=O)N([C@@H](C)C2CC2)C2CC2)cc1OC ZINC000267169119 550028232 /nfs/dbraw/zinc/02/82/32/550028232.db2.gz UCKFXRBFCQNVEJ-LBPRGKRZSA-N 1 2 361.442 2.130 20 30 FEEDLO COc1ccc(C(N)=[NH+]OCC(=O)N([C@H](C)C2CC2)C2CC2)cc1OC ZINC000267169118 550028318 /nfs/dbraw/zinc/02/83/18/550028318.db2.gz UCKFXRBFCQNVEJ-GFCCVEGCSA-N 1 2 361.442 2.130 20 30 FEEDLO O=C(C#Cc1ccc2c(c1)OCO2)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000268565137 550088012 /nfs/dbraw/zinc/08/80/12/550088012.db2.gz PHNCVOZKGCLKCF-UHFFFAOYSA-N 1 2 363.417 2.469 20 30 FEEDLO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCOC[C@@H]1CC(=O)c1ccco1 ZINC000268582478 550089912 /nfs/dbraw/zinc/08/99/12/550089912.db2.gz JYKJXGZGWJDZJN-INIZCTEOSA-N 1 2 367.405 2.454 20 30 FEEDLO N#Cc1ccccc1NC(=O)CC[N@H+]1CCOC[C@@H]1CC(=O)c1ccco1 ZINC000268582478 550089915 /nfs/dbraw/zinc/08/99/15/550089915.db2.gz JYKJXGZGWJDZJN-INIZCTEOSA-N 1 2 367.405 2.454 20 30 FEEDLO CO[C@@H](C)c1noc(CN2CCC[N@H+](CC#Cc3ccc(F)cc3)CC2)n1 ZINC000269600080 550209451 /nfs/dbraw/zinc/20/94/51/550209451.db2.gz KSKAXDWFUNPMSF-INIZCTEOSA-N 1 2 372.444 2.476 20 30 FEEDLO CO[C@@H](C)c1noc(CN2CCC[N@@H+](CC#Cc3ccc(F)cc3)CC2)n1 ZINC000269600080 550209454 /nfs/dbraw/zinc/20/94/54/550209454.db2.gz KSKAXDWFUNPMSF-INIZCTEOSA-N 1 2 372.444 2.476 20 30 FEEDLO C=CCN(CCc1ccco1)C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000272420377 550446238 /nfs/dbraw/zinc/44/62/38/550446238.db2.gz HJOCHFSRUUDJSM-UHFFFAOYSA-N 1 2 370.453 2.452 20 30 FEEDLO COC(=O)c1ccc(F)c(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)c1 ZINC000272696698 550465486 /nfs/dbraw/zinc/46/54/86/550465486.db2.gz IDUHFPCVEDJWQT-UHFFFAOYSA-N 1 2 354.385 2.201 20 30 FEEDLO Cc1[nH+]c2ccccc2n1C[C@H]1CCCN1S(=O)(=O)CC1(C#N)CC1 ZINC000274233995 550529324 /nfs/dbraw/zinc/52/93/24/550529324.db2.gz RFKGGDYCGDJJBO-OAHLLOKOSA-N 1 2 358.467 2.443 20 30 FEEDLO C#CCC[NH+]1CCN(C(=O)c2cc(COc3ccccc3F)on2)CC1 ZINC000274268471 550530720 /nfs/dbraw/zinc/53/07/20/550530720.db2.gz GEYMBOSSSCSAIG-UHFFFAOYSA-N 1 2 357.385 2.174 20 30 FEEDLO CC(=O)N1CCCc2cc(NC(=O)N3CCC(C#N)([NH+](C)C)CC3)ccc21 ZINC000274752764 550552424 /nfs/dbraw/zinc/55/24/24/550552424.db2.gz BJLBDDDDCGNGJH-UHFFFAOYSA-N 1 2 369.469 2.437 20 30 FEEDLO C#CCC[NH+]1CCN(C(=O)c2cc(Br)ncc2Cl)CC1 ZINC000275293990 550571408 /nfs/dbraw/zinc/57/14/08/550571408.db2.gz MAUPAVGTAALFTE-UHFFFAOYSA-N 1 2 356.651 2.279 20 30 FEEDLO COc1ccc(CN2CCC[N@H+](Cc3cc(C#N)n(C)c3)CC2=O)cc1 ZINC000276759713 550592896 /nfs/dbraw/zinc/59/28/96/550592896.db2.gz MRTNINBMIRKGKC-UHFFFAOYSA-N 1 2 352.438 2.140 20 30 FEEDLO COc1ccc(CN2CCC[N@@H+](Cc3cc(C#N)n(C)c3)CC2=O)cc1 ZINC000276759713 550592897 /nfs/dbraw/zinc/59/28/97/550592897.db2.gz MRTNINBMIRKGKC-UHFFFAOYSA-N 1 2 352.438 2.140 20 30 FEEDLO C#CCC[NH+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2Br)CC1 ZINC000277278131 550650830 /nfs/dbraw/zinc/65/08/30/550650830.db2.gz NCSVHXYTWLWXQK-UHFFFAOYSA-N 1 2 366.215 2.138 20 30 FEEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1ccc(C(F)(F)F)cn1 ZINC000277607073 550691066 /nfs/dbraw/zinc/69/10/66/550691066.db2.gz FLHKHZFYXHCYGD-LBPRGKRZSA-N 1 2 362.359 2.473 20 30 FEEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1ccc(C(F)(F)F)cn1 ZINC000277607073 550691067 /nfs/dbraw/zinc/69/10/67/550691067.db2.gz FLHKHZFYXHCYGD-LBPRGKRZSA-N 1 2 362.359 2.473 20 30 FEEDLO NC(=[NH+]OCc1nnc2n1CCCCC2)c1ccc(N2CCCCC2)nc1 ZINC000278614662 550804645 /nfs/dbraw/zinc/80/46/45/550804645.db2.gz JENIUGJJDIDWIC-UHFFFAOYSA-N 1 2 369.473 2.227 20 30 FEEDLO CN(CCC#N)c1ccc(C[NH2+]Cc2ncccc2S(C)(=O)=O)cc1 ZINC000278679257 550810583 /nfs/dbraw/zinc/81/05/83/550810583.db2.gz HWSJRAZJSZFQRC-UHFFFAOYSA-N 1 2 358.467 2.125 20 30 FEEDLO NC(COc1ccc(Cl)cc1Cl)=[NH+]OC[C@@H]1CCS(=O)(=O)C1 ZINC000278782677 550821229 /nfs/dbraw/zinc/82/12/29/550821229.db2.gz ZGAKDZDKLHNCPJ-VIFPVBQESA-N 1 2 367.254 2.096 20 30 FEEDLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000279329939 550878184 /nfs/dbraw/zinc/87/81/84/550878184.db2.gz PEOPKDMIPLSZRC-UHFFFAOYSA-N 1 2 368.437 2.396 20 30 FEEDLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000279329939 550878186 /nfs/dbraw/zinc/87/81/86/550878186.db2.gz PEOPKDMIPLSZRC-UHFFFAOYSA-N 1 2 368.437 2.396 20 30 FEEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000279374634 550882753 /nfs/dbraw/zinc/88/27/53/550882753.db2.gz SYQDQWBRAPIDOQ-CQSZACIVSA-N 1 2 354.410 2.006 20 30 FEEDLO C[C@@H]1C[N@@H+](CCN(C)C(=O)c2cc(-c3cccc(C#N)c3)no2)C[C@H](C)O1 ZINC000279425453 550888963 /nfs/dbraw/zinc/88/89/63/550888963.db2.gz YKLWCPMTTLFQNC-GASCZTMLSA-N 1 2 368.437 2.394 20 30 FEEDLO C[C@@H]1C[N@H+](CCN(C)C(=O)c2cc(-c3cccc(C#N)c3)no2)C[C@H](C)O1 ZINC000279425453 550888964 /nfs/dbraw/zinc/88/89/64/550888964.db2.gz YKLWCPMTTLFQNC-GASCZTMLSA-N 1 2 368.437 2.394 20 30 FEEDLO Cc1oc(C#N)cc1C(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000280597486 551011683 /nfs/dbraw/zinc/01/16/83/551011683.db2.gz JBOIWSGVZRGGRW-KRWDZBQOSA-N 1 2 353.422 2.133 20 30 FEEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2csc(-c3ccc(C(N)=O)cc3)n2)C1=O ZINC000281442927 551098201 /nfs/dbraw/zinc/09/82/01/551098201.db2.gz UBELZBGLGLAZMC-MRXNPFEDSA-N 1 2 370.478 2.128 20 30 FEEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2csc(-c3ccc(C(N)=O)cc3)n2)C1=O ZINC000281442927 551098203 /nfs/dbraw/zinc/09/82/03/551098203.db2.gz UBELZBGLGLAZMC-MRXNPFEDSA-N 1 2 370.478 2.128 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000281560105 551113482 /nfs/dbraw/zinc/11/34/82/551113482.db2.gz NWBXWHDPXLPCIU-NUJGCVRESA-N 1 2 374.485 2.292 20 30 FEEDLO CN(CCCn1cc[nH+]c1)S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000281702059 551132446 /nfs/dbraw/zinc/13/24/46/551132446.db2.gz BXQQSMFIVMUPAZ-UHFFFAOYSA-N 1 2 372.372 2.484 20 30 FEEDLO C=CCCO[C@@H](C)C(=O)N1CC[NH+](Cc2cc(OC)ccc2OC)CC1 ZINC000497781730 561508707 /nfs/dbraw/zinc/50/87/07/561508707.db2.gz NIQLLPZLKXGYSQ-INIZCTEOSA-N 1 2 362.470 2.329 20 30 FEEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)C(=O)NCc1cccc(C#N)c1 ZINC000283498068 551377044 /nfs/dbraw/zinc/37/70/44/551377044.db2.gz ALWHIUVNBPLPIH-KRWDZBQOSA-N 1 2 365.437 2.145 20 30 FEEDLO C[C@@H](O[NH+]=C(N)[C@@H]1CCCO1)C(=O)N(C)Cc1c(F)cccc1Cl ZINC000284086272 551481383 /nfs/dbraw/zinc/48/13/83/551481383.db2.gz KSGFFTVTUSIPLY-YGRLFVJLSA-N 1 2 357.813 2.294 20 30 FEEDLO C=CCCCCNC(=O)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000284398810 551541278 /nfs/dbraw/zinc/54/12/78/551541278.db2.gz QYILWIKSPKGVOG-MRXNPFEDSA-N 1 2 358.417 2.237 20 30 FEEDLO COc1cc(C[N@@H+]2CCN(C)[C@H](c3nc(C4CC4)no3)C2)ccc1C#N ZINC000284945444 551673850 /nfs/dbraw/zinc/67/38/50/551673850.db2.gz DSVRAMAIQQPBOQ-INIZCTEOSA-N 1 2 353.426 2.316 20 30 FEEDLO COc1cc(C[N@H+]2CCN(C)[C@H](c3nc(C4CC4)no3)C2)ccc1C#N ZINC000284945444 551673853 /nfs/dbraw/zinc/67/38/53/551673853.db2.gz DSVRAMAIQQPBOQ-INIZCTEOSA-N 1 2 353.426 2.316 20 30 FEEDLO CNS(=O)(=O)c1cccc2c1CC[N@H+](Cc1ccc(C#N)c(OC)c1)C2 ZINC000285182186 551716947 /nfs/dbraw/zinc/71/69/47/551716947.db2.gz QFPCPCNKAALJBW-UHFFFAOYSA-N 1 2 371.462 2.033 20 30 FEEDLO CNS(=O)(=O)c1cccc2c1CC[N@@H+](Cc1ccc(C#N)c(OC)c1)C2 ZINC000285182186 551716948 /nfs/dbraw/zinc/71/69/48/551716948.db2.gz QFPCPCNKAALJBW-UHFFFAOYSA-N 1 2 371.462 2.033 20 30 FEEDLO CC(C)(C)OC(=O)N1CCN(Cc2ccc(-n3cc[nH+]c3)nc2)[C@@H](C#N)C1 ZINC000285375193 551745680 /nfs/dbraw/zinc/74/56/80/551745680.db2.gz CMABSWKQOILJKM-INIZCTEOSA-N 1 2 368.441 2.212 20 30 FEEDLO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)Nc1c[nH+]ccc1OC ZINC000498980219 561539978 /nfs/dbraw/zinc/53/99/78/561539978.db2.gz YLVMQXDMVPISFJ-UHFFFAOYSA-N 1 2 370.365 2.152 20 30 FEEDLO Cc1ccc(C#N)c(N2CC[C@@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)n1 ZINC000286252019 551865904 /nfs/dbraw/zinc/86/59/04/551865904.db2.gz DMNGPDXJFUWZHY-QGZVFWFLSA-N 1 2 371.485 2.393 20 30 FEEDLO CCOC1CC([N@H+](C)CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000286995362 551949420 /nfs/dbraw/zinc/94/94/20/551949420.db2.gz PSMMSLNYSQAPNS-PIMMBPRGSA-N 1 2 354.410 2.011 20 30 FEEDLO CCOC1CC([N@@H+](C)CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000286995362 551949421 /nfs/dbraw/zinc/94/94/21/551949421.db2.gz PSMMSLNYSQAPNS-PIMMBPRGSA-N 1 2 354.410 2.011 20 30 FEEDLO C#CCOc1cc(F)ccc1NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000287191657 551974888 /nfs/dbraw/zinc/97/48/88/551974888.db2.gz QANBMNYONNKJPE-ZBFHGGJFSA-N 1 2 361.417 2.165 20 30 FEEDLO C=CCCCNC(=O)C(=O)N1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000288620501 552186390 /nfs/dbraw/zinc/18/63/90/552186390.db2.gz QIIDLDLWVOQRGB-MRXNPFEDSA-N 1 2 354.454 2.418 20 30 FEEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)C(=O)N2CCSc3ccccc32)C1=O ZINC000500021908 561564408 /nfs/dbraw/zinc/56/44/08/561564408.db2.gz ZITIQLPWTCVXBC-GDBMZVCRSA-N 1 2 359.495 2.233 20 30 FEEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](C)C(=O)N2CCSc3ccccc32)C1=O ZINC000500021908 561564409 /nfs/dbraw/zinc/56/44/09/561564409.db2.gz ZITIQLPWTCVXBC-GDBMZVCRSA-N 1 2 359.495 2.233 20 30 FEEDLO CC[C@@H](O)C[N@H+](CCS(=O)(=O)c1ccc(C#N)cn1)Cc1ccccc1 ZINC000289758410 552373348 /nfs/dbraw/zinc/37/33/48/552373348.db2.gz HXYPTOAWBVJLAD-GOSISDBHSA-N 1 2 373.478 2.000 20 30 FEEDLO CC[C@@H](O)C[N@@H+](CCS(=O)(=O)c1ccc(C#N)cn1)Cc1ccccc1 ZINC000289758410 552373351 /nfs/dbraw/zinc/37/33/51/552373351.db2.gz HXYPTOAWBVJLAD-GOSISDBHSA-N 1 2 373.478 2.000 20 30 FEEDLO COCC[N@H+](CCS(=O)(=O)c1ccc(C#N)cn1)[C@@H](C)c1ccccc1 ZINC000290213342 552443248 /nfs/dbraw/zinc/44/32/48/552443248.db2.gz HJFLMNFZPXLZAL-INIZCTEOSA-N 1 2 373.478 2.437 20 30 FEEDLO COCC[N@@H+](CCS(=O)(=O)c1ccc(C#N)cn1)[C@@H](C)c1ccccc1 ZINC000290213342 552443249 /nfs/dbraw/zinc/44/32/49/552443249.db2.gz HJFLMNFZPXLZAL-INIZCTEOSA-N 1 2 373.478 2.437 20 30 FEEDLO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCN(Cc3ccc(C#N)o3)CC2)C1 ZINC000290238240 552446967 /nfs/dbraw/zinc/44/69/67/552446967.db2.gz UKHDCOMHKUNDGA-OAHLLOKOSA-N 1 2 360.458 2.278 20 30 FEEDLO Cc1nsc(N2CCN(c3cc(N4CCCC4)[nH+]cn3)CC2)c1C#N ZINC000290680875 552518481 /nfs/dbraw/zinc/51/84/81/552518481.db2.gz LKMGVRLAJSVKDB-UHFFFAOYSA-N 1 2 355.471 2.040 20 30 FEEDLO Cc1nsc(N2CCN(c3cc(N4CCCC4)nc[nH+]3)CC2)c1C#N ZINC000290680875 552518483 /nfs/dbraw/zinc/51/84/83/552518483.db2.gz LKMGVRLAJSVKDB-UHFFFAOYSA-N 1 2 355.471 2.040 20 30 FEEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](CC(=O)Nc3cc(F)ccc3F)C2)nc1 ZINC000292162346 552699864 /nfs/dbraw/zinc/69/98/64/552699864.db2.gz LBWWTWXLTHZRCL-CQSZACIVSA-N 1 2 358.348 2.323 20 30 FEEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](CC(=O)Nc3cc(F)ccc3F)C2)nc1 ZINC000292162346 552699866 /nfs/dbraw/zinc/69/98/66/552699866.db2.gz LBWWTWXLTHZRCL-CQSZACIVSA-N 1 2 358.348 2.323 20 30 FEEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292312363 552714813 /nfs/dbraw/zinc/71/48/13/552714813.db2.gz VKWYBDKDNZUKFM-KBXCAEBGSA-N 1 2 361.405 2.305 20 30 FEEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292312363 552714815 /nfs/dbraw/zinc/71/48/15/552714815.db2.gz VKWYBDKDNZUKFM-KBXCAEBGSA-N 1 2 361.405 2.305 20 30 FEEDLO CC(C)[C@@H]1C[N@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)CCCO1 ZINC000293224471 552800803 /nfs/dbraw/zinc/80/08/03/552800803.db2.gz RXHJCFOVAQVPEE-QAPCUYQASA-N 1 2 368.437 2.259 20 30 FEEDLO CC(C)[C@@H]1C[N@@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)CCCO1 ZINC000293224471 552800805 /nfs/dbraw/zinc/80/08/05/552800805.db2.gz RXHJCFOVAQVPEE-QAPCUYQASA-N 1 2 368.437 2.259 20 30 FEEDLO COc1c(C)c[nH+]c(CN(C)C(=O)C(=O)Nc2sccc2C#N)c1C ZINC000293586038 552837713 /nfs/dbraw/zinc/83/77/13/552837713.db2.gz FEVREXYYJNVVSV-UHFFFAOYSA-N 1 2 358.423 2.237 20 30 FEEDLO C=CCc1cc(C[N@@H+]2CCC[C@H](CS(C)(=O)=O)C2)cc(OC)c1O ZINC000294069396 552879497 /nfs/dbraw/zinc/87/94/97/552879497.db2.gz YHYGAUUTARKHGB-AWEZNQCLSA-N 1 2 353.484 2.386 20 30 FEEDLO C=CCc1cc(C[N@H+]2CCC[C@H](CS(C)(=O)=O)C2)cc(OC)c1O ZINC000294069396 552879498 /nfs/dbraw/zinc/87/94/98/552879498.db2.gz YHYGAUUTARKHGB-AWEZNQCLSA-N 1 2 353.484 2.386 20 30 FEEDLO CC(C)c1nc(N(C)C)nc(N2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000502403518 561617738 /nfs/dbraw/zinc/61/77/38/561617738.db2.gz UDGARGNUNMQLBB-UHFFFAOYSA-N 1 2 365.485 2.255 20 30 FEEDLO C[C@H]1CCN(S(=O)(=O)Cc2ccc(F)cc2C#N)C[C@@H]1n1cc[nH+]c1 ZINC000296377258 553150254 /nfs/dbraw/zinc/15/02/54/553150254.db2.gz RUNYYQIMRUTTMA-GUYCJALGSA-N 1 2 362.430 2.307 20 30 FEEDLO CN(Cc1[nH+]ccn1C)C(=O)C(=O)Nc1sc(C(C)(C)C)cc1C#N ZINC000297542989 553306617 /nfs/dbraw/zinc/30/66/17/553306617.db2.gz WUDPPXOGHJTDRM-UHFFFAOYSA-N 1 2 359.455 2.248 20 30 FEEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1Cl)CCC2 ZINC000503101550 561634446 /nfs/dbraw/zinc/63/44/46/561634446.db2.gz VARPUEJEPYZLPP-CYBMUJFWSA-N 1 2 371.828 2.349 20 30 FEEDLO N#Cc1ccc(CN2CC[NH+]([C@@H](C(N)=O)c3ccccc3)CC2)c(F)c1 ZINC000298155106 553391289 /nfs/dbraw/zinc/39/12/89/553391289.db2.gz DBTZQYWRPMENDD-LJQANCHMSA-N 1 2 352.413 2.042 20 30 FEEDLO CCO[C@@H]1C[C@@]([NH2+]CCC(=O)Nc2ccccc2C#N)(C(=O)OC)C1(C)C ZINC000298659309 553455745 /nfs/dbraw/zinc/45/57/45/553455745.db2.gz XVVSRTQXYCCEHD-OXQOHEQNSA-N 1 2 373.453 2.223 20 30 FEEDLO CC(C)(C)OC(=O)N[C@H]1CCC[N@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000298976256 553497802 /nfs/dbraw/zinc/49/78/02/553497802.db2.gz ISCPDTGOXRDVBW-KRWDZBQOSA-N 1 2 372.469 2.164 20 30 FEEDLO CC(C)(C)OC(=O)N[C@H]1CCC[N@@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000298976256 553497803 /nfs/dbraw/zinc/49/78/03/553497803.db2.gz ISCPDTGOXRDVBW-KRWDZBQOSA-N 1 2 372.469 2.164 20 30 FEEDLO Cc1nc(C2([NH2+]CC(=O)NCc3ccc(C#N)cc3)CCCCC2)no1 ZINC000299256639 553537860 /nfs/dbraw/zinc/53/78/60/553537860.db2.gz FUTMBJRLBOMUMN-UHFFFAOYSA-N 1 2 353.426 2.315 20 30 FEEDLO CCCNC(=O)[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000299461543 553566487 /nfs/dbraw/zinc/56/64/87/553566487.db2.gz FAQZLJQPKOATAC-UKRRQHHQSA-N 1 2 360.458 2.333 20 30 FEEDLO CCCNC(=O)[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000299461543 553566489 /nfs/dbraw/zinc/56/64/89/553566489.db2.gz FAQZLJQPKOATAC-UKRRQHHQSA-N 1 2 360.458 2.333 20 30 FEEDLO N#Cc1ccc(CC(=O)Nc2ccc3[nH]c(N4CCOCC4)[nH+]c3c2)cc1 ZINC000504636056 561660616 /nfs/dbraw/zinc/66/06/16/561660616.db2.gz CJERZWWHBSURLQ-UHFFFAOYSA-N 1 2 361.405 2.452 20 30 FEEDLO C[N@H+](Cc1ccccc1)C1CN(CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000504658622 561660953 /nfs/dbraw/zinc/66/09/53/561660953.db2.gz YASZLBSPUNKIHW-UHFFFAOYSA-N 1 2 369.490 2.148 20 30 FEEDLO C[N@@H+](Cc1ccccc1)C1CN(CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000504658622 561660954 /nfs/dbraw/zinc/66/09/54/561660954.db2.gz YASZLBSPUNKIHW-UHFFFAOYSA-N 1 2 369.490 2.148 20 30 FEEDLO N#Cc1ccc(OCCNc2cc(N3CCC[C@@H](CO)C3)nc[nH+]2)cc1 ZINC000301420517 553650606 /nfs/dbraw/zinc/65/06/06/553650606.db2.gz BYBCKTJKSBHOGA-MRXNPFEDSA-N 1 2 353.426 2.048 20 30 FEEDLO N#Cc1ccc(OCCNc2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)cc1 ZINC000301420517 553650608 /nfs/dbraw/zinc/65/06/08/553650608.db2.gz BYBCKTJKSBHOGA-MRXNPFEDSA-N 1 2 353.426 2.048 20 30 FEEDLO Cc1cc(NC(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)ncc1C#N ZINC000603120492 553712394 /nfs/dbraw/zinc/71/23/94/553712394.db2.gz RARVWPSRLANRBB-SFHVURJKSA-N 1 2 365.437 2.457 20 30 FEEDLO O=C(NCC[NH+]1CCN(C(=O)C2CCC2)CC1)N1CCc2cc(F)ccc21 ZINC000328681738 553806332 /nfs/dbraw/zinc/80/63/32/553806332.db2.gz CQELNFUMDUEWMW-UHFFFAOYSA-N 1 2 374.460 2.047 20 30 FEEDLO CC[C@H](C(=O)N[C@@H]1CCO[C@@H](c2cncn2C)C1)[N@@H+]1CCO[C@H](CC)C1 ZINC000328790335 553822960 /nfs/dbraw/zinc/82/29/60/553822960.db2.gz QFYODXHNCCVGKG-YFHUEUNASA-N 1 2 364.490 2.486 20 30 FEEDLO CC[C@H](C(=O)N[C@@H]1CCO[C@@H](c2cncn2C)C1)[N@H+]1CCO[C@H](CC)C1 ZINC000328790335 553822962 /nfs/dbraw/zinc/82/29/62/553822962.db2.gz QFYODXHNCCVGKG-YFHUEUNASA-N 1 2 364.490 2.486 20 30 FEEDLO O=C(C[C@H]1CCS(=O)(=O)C1)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000328815703 553826597 /nfs/dbraw/zinc/82/65/97/553826597.db2.gz GKCKXKWQTXKSOO-IAGOWNOFSA-N 1 2 350.484 2.432 20 30 FEEDLO O=C(C[C@H]1CCS(=O)(=O)C1)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000328815703 553826601 /nfs/dbraw/zinc/82/66/01/553826601.db2.gz GKCKXKWQTXKSOO-IAGOWNOFSA-N 1 2 350.484 2.432 20 30 FEEDLO CCS(=O)(=O)N1CCC[C@H](C(=O)NC[C@@H]2CCCn3cc(C)[nH+]c32)C1 ZINC000328826099 553828447 /nfs/dbraw/zinc/82/84/47/553828447.db2.gz QDGKXIPTRRTNPV-GJZGRUSLSA-N 1 2 368.503 2.087 20 30 FEEDLO C[N@@H+]1CCO[C@H]2CCN(C(=O)Nc3nc4c(s3)CCCCC4)C[C@@H]21 ZINC000328827523 553828990 /nfs/dbraw/zinc/82/89/90/553828990.db2.gz ILYNGEDTDVEDMY-KBPBESRZSA-N 1 2 350.488 2.362 20 30 FEEDLO C[N@H+]1CCO[C@H]2CCN(C(=O)Nc3nc4c(s3)CCCCC4)C[C@@H]21 ZINC000328827523 553828991 /nfs/dbraw/zinc/82/89/91/553828991.db2.gz ILYNGEDTDVEDMY-KBPBESRZSA-N 1 2 350.488 2.362 20 30 FEEDLO N#C[C@@H]1CC[C@H](N2CC[NH+]([C@H]3CCCN(Cc4ccccc4)C3=O)CC2)C1 ZINC000328873201 553836482 /nfs/dbraw/zinc/83/64/82/553836482.db2.gz YUDPSIPBEGKCQV-HKBOAZHASA-N 1 2 366.509 2.487 20 30 FEEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)NCCc3csc(C(C)(C)C)n3)C[C@H]21 ZINC000328891927 553839844 /nfs/dbraw/zinc/83/98/44/553839844.db2.gz STNCTFPFHKXOKR-HUUCEWRRSA-N 1 2 366.531 2.302 20 30 FEEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)NCCc3csc(C(C)(C)C)n3)C[C@H]21 ZINC000328891927 553839848 /nfs/dbraw/zinc/83/98/48/553839848.db2.gz STNCTFPFHKXOKR-HUUCEWRRSA-N 1 2 366.531 2.302 20 30 FEEDLO O=C(Nc1ccc(F)cc1)N[C@@H]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000328897661 553840680 /nfs/dbraw/zinc/84/06/80/553840680.db2.gz CUONTKFGNAGRJT-CZUORRHYSA-N 1 2 371.416 2.212 20 30 FEEDLO N#Cc1ccc(OC2CCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)CC2)cc1 ZINC000328938757 553849365 /nfs/dbraw/zinc/84/93/65/553849365.db2.gz GVAUURXBRGQXQN-MRXNPFEDSA-N 1 2 350.422 2.387 20 30 FEEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)Nc3csc(-c4ccccn4)n3)C[C@H]21 ZINC000328978026 553857525 /nfs/dbraw/zinc/85/75/25/553857525.db2.gz QOBZCQQJDUWVSW-ZIAGYGMSSA-N 1 2 359.455 2.156 20 30 FEEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)Nc3csc(-c4ccccn4)n3)C[C@H]21 ZINC000328978026 553857528 /nfs/dbraw/zinc/85/75/28/553857528.db2.gz QOBZCQQJDUWVSW-ZIAGYGMSSA-N 1 2 359.455 2.156 20 30 FEEDLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N1CSC[C@@H]1C(=O)NCC1CC1 ZINC000329017179 553864953 /nfs/dbraw/zinc/86/49/53/553864953.db2.gz GQBSRWOUBPTPFX-FVQBIDKESA-N 1 2 374.510 2.422 20 30 FEEDLO N#Cc1cccc(F)c1CC(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000506059450 561688797 /nfs/dbraw/zinc/68/87/97/561688797.db2.gz HUPHATJFEQJJAM-KRWDZBQOSA-N 1 2 373.453 2.491 20 30 FEEDLO C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)N[C@H]2CCC(C)(C)C2)CC1 ZINC000329028945 553867118 /nfs/dbraw/zinc/86/71/18/553867118.db2.gz AKRRJJQMBYBUBY-SJORKVTESA-N 1 2 364.534 2.498 20 30 FEEDLO C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@@H+]1CCO[C@]2(CCCOC2)C1 ZINC000329068822 553874375 /nfs/dbraw/zinc/87/43/75/553874375.db2.gz MPCHLBRWHFMMTG-RDTXWAMCSA-N 1 2 353.463 2.460 20 30 FEEDLO C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@H+]1CCO[C@]2(CCCOC2)C1 ZINC000329068822 553874377 /nfs/dbraw/zinc/87/43/77/553874377.db2.gz MPCHLBRWHFMMTG-RDTXWAMCSA-N 1 2 353.463 2.460 20 30 FEEDLO COc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000329200711 553901214 /nfs/dbraw/zinc/90/12/14/553901214.db2.gz WJLASWOJNPBEMK-QDEZUTFSSA-N 1 2 366.483 2.220 20 30 FEEDLO COc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000329200711 553901215 /nfs/dbraw/zinc/90/12/15/553901215.db2.gz WJLASWOJNPBEMK-QDEZUTFSSA-N 1 2 366.483 2.220 20 30 FEEDLO C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000329202076 553901567 /nfs/dbraw/zinc/90/15/67/553901567.db2.gz WWLJODHVEKHKCK-UUNKHFGGSA-N 1 2 366.527 2.419 20 30 FEEDLO C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000329202076 553901569 /nfs/dbraw/zinc/90/15/69/553901569.db2.gz WWLJODHVEKHKCK-UUNKHFGGSA-N 1 2 366.527 2.419 20 30 FEEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])N1CCN(CC(F)F)CC1)C2 ZINC000329299258 553920536 /nfs/dbraw/zinc/92/05/36/553920536.db2.gz UTURYPOZMVZFOR-ZDUSSCGKSA-N 1 2 369.460 2.292 20 30 FEEDLO CC(C)c1noc(-c2ccccc2C(=O)NC[C@@H]2CN(C)CC[N@@H+]2C)n1 ZINC000329364329 553933260 /nfs/dbraw/zinc/93/32/60/553933260.db2.gz JNHHRAMZHDQTGR-CQSZACIVSA-N 1 2 357.458 2.410 20 30 FEEDLO CC(C)c1noc(-c2ccccc2C(=O)NC[C@@H]2CN(C)CC[N@H+]2C)n1 ZINC000329364329 553933265 /nfs/dbraw/zinc/93/32/65/553933265.db2.gz JNHHRAMZHDQTGR-CQSZACIVSA-N 1 2 357.458 2.410 20 30 FEEDLO CC(=O)N[C@H](C)C1CCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000329517084 553961080 /nfs/dbraw/zinc/96/10/80/553961080.db2.gz PFFJUGKLSAKHTK-RDTXWAMCSA-N 1 2 351.491 2.233 20 30 FEEDLO CC(=O)N[C@H](C)C1CCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000329517084 553961081 /nfs/dbraw/zinc/96/10/81/553961081.db2.gz PFFJUGKLSAKHTK-RDTXWAMCSA-N 1 2 351.491 2.233 20 30 FEEDLO N#Cc1cccc([C@@H]2CN(C(=O)[C@@H]3COCC[N@@H+]3C3CCCC3)CCO2)c1 ZINC000329528168 553962365 /nfs/dbraw/zinc/96/23/65/553962365.db2.gz ICLIRADCNQRNNZ-PMACEKPBSA-N 1 2 369.465 2.102 20 30 FEEDLO N#Cc1cccc([C@@H]2CN(C(=O)[C@@H]3COCC[N@H+]3C3CCCC3)CCO2)c1 ZINC000329528168 553962368 /nfs/dbraw/zinc/96/23/68/553962368.db2.gz ICLIRADCNQRNNZ-PMACEKPBSA-N 1 2 369.465 2.102 20 30 FEEDLO CC(C)(C)[C@@H]1NC(=O)CC[C@H]1NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000329645488 553981287 /nfs/dbraw/zinc/98/12/87/553981287.db2.gz IQXAKHBJDDYWJF-ZMSDIMECSA-N 1 2 366.506 2.231 20 30 FEEDLO [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000329699519 553991370 /nfs/dbraw/zinc/99/13/70/553991370.db2.gz DDVCOIXNBQUJKQ-PSTGCABASA-N 1 2 362.380 2.267 20 30 FEEDLO [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000329699519 553991372 /nfs/dbraw/zinc/99/13/72/553991372.db2.gz DDVCOIXNBQUJKQ-PSTGCABASA-N 1 2 362.380 2.267 20 30 FEEDLO Cc1cccc([C@H](CNC(=O)N2C[C@H]3CC[C@@H](C2)O3)[NH+]2CCOCC2)c1 ZINC000329843765 554017191 /nfs/dbraw/zinc/01/71/91/554017191.db2.gz XKXZBMMTNUXFFK-OTWHNJEPSA-N 1 2 359.470 2.146 20 30 FEEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CCC2 ZINC000507286603 561723666 /nfs/dbraw/zinc/72/36/66/561723666.db2.gz XNASSETVXKBEPB-AUUYWEPGSA-N 1 2 360.458 2.447 20 30 FEEDLO CCN1CCC[N@H+](CC(=O)NCC2(c3ccccc3)CCOCC2)CC1=O ZINC000329913269 554030376 /nfs/dbraw/zinc/03/03/76/554030376.db2.gz OPJGCUHOCHXNFU-UHFFFAOYSA-N 1 2 373.497 2.246 20 30 FEEDLO CCN1CCC[N@@H+](CC(=O)NCC2(c3ccccc3)CCOCC2)CC1=O ZINC000329913269 554030378 /nfs/dbraw/zinc/03/03/78/554030378.db2.gz OPJGCUHOCHXNFU-UHFFFAOYSA-N 1 2 373.497 2.246 20 30 FEEDLO Cc1nn(-c2ccccc2)c(C)c1NC(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000329919606 554031531 /nfs/dbraw/zinc/03/15/31/554031531.db2.gz RUFUJUNSVTYQEI-DLBZAZTESA-N 1 2 355.442 2.049 20 30 FEEDLO Cc1nn(-c2ccccc2)c(C)c1NC(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000329919606 554031533 /nfs/dbraw/zinc/03/15/33/554031533.db2.gz RUFUJUNSVTYQEI-DLBZAZTESA-N 1 2 355.442 2.049 20 30 FEEDLO C[C@H]1CC[C@H](NC(=O)NC[C@@H]2C[C@H](F)C[N@@H+]2Cc2cnn(C)c2)CC1 ZINC000329968233 554040896 /nfs/dbraw/zinc/04/08/96/554040896.db2.gz WNYONBPMGVYIEF-HJWJTTGWSA-N 1 2 351.470 2.415 20 30 FEEDLO C[C@H]1CC[C@H](NC(=O)NC[C@@H]2C[C@H](F)C[N@H+]2Cc2cnn(C)c2)CC1 ZINC000329968233 554040897 /nfs/dbraw/zinc/04/08/97/554040897.db2.gz WNYONBPMGVYIEF-HJWJTTGWSA-N 1 2 351.470 2.415 20 30 FEEDLO C[C@H](NC(=O)N1CCN(C)[C@H](c2[nH+]ccn2C)C1)[C@@H]1COc2ccccc21 ZINC000329984528 554043760 /nfs/dbraw/zinc/04/37/60/554043760.db2.gz CJHFIUCGDXWJBN-XIRDDKMYSA-N 1 2 369.469 2.187 20 30 FEEDLO CC[C@@H]1C[N@H+](CC(=O)NC[C@@H]2Cc3ccccc3O2)C[C@@]2(CCOC2)O1 ZINC000330081551 554061388 /nfs/dbraw/zinc/06/13/88/554061388.db2.gz AFOPTEGOGYSJJI-FUHIMQAGSA-N 1 2 360.454 2.217 20 30 FEEDLO CC[C@@H]1C[N@@H+](CC(=O)NC[C@@H]2Cc3ccccc3O2)C[C@@]2(CCOC2)O1 ZINC000330081551 554061390 /nfs/dbraw/zinc/06/13/90/554061390.db2.gz AFOPTEGOGYSJJI-FUHIMQAGSA-N 1 2 360.454 2.217 20 30 FEEDLO Cc1nc(N2CCN(C([O-])=[NH+][C@@H]3CCn4cc[nH+]c4C3)CC2)sc1C ZINC000330198699 554083791 /nfs/dbraw/zinc/08/37/91/554083791.db2.gz UKQNPONYHOLZGF-CQSZACIVSA-N 1 2 360.487 2.007 20 30 FEEDLO C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@H]3CCOC4(CCC4)C3)CC2)CC1 ZINC000330208975 554085645 /nfs/dbraw/zinc/08/56/45/554085645.db2.gz HDVXHFGCBFNZAL-KRWDZBQOSA-N 1 2 364.534 2.150 20 30 FEEDLO [O-]C(NC[C@@H]1COCCO1)=[NH+][C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000330257314 554094129 /nfs/dbraw/zinc/09/41/29/554094129.db2.gz LJCHXQNXAUGMGT-KBAYOESNSA-N 1 2 356.426 2.031 20 30 FEEDLO O=C(NC[C@@H]1COCCO1)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000330257314 554094131 /nfs/dbraw/zinc/09/41/31/554094131.db2.gz LJCHXQNXAUGMGT-KBAYOESNSA-N 1 2 356.426 2.031 20 30 FEEDLO CCN(C[C@@H](C)C#N)S(=O)(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000330376956 554113270 /nfs/dbraw/zinc/11/32/70/554113270.db2.gz PNTOHKPJJZINOV-LSDHHAIUSA-N 1 2 370.544 2.153 20 30 FEEDLO CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCCC[C@@H]1c1[nH+]ccn1CC ZINC000330385636 554114351 /nfs/dbraw/zinc/11/43/51/554114351.db2.gz LNPKGTYENHWWFS-LSDHHAIUSA-N 1 2 353.492 2.156 20 30 FEEDLO COC[C@H]1C[N@H+](CC(=O)NC(=O)Nc2ccc(C)cc2C)CC(C)(C)O1 ZINC000330515051 554132035 /nfs/dbraw/zinc/13/20/35/554132035.db2.gz DQVGSKVMQGFFQD-OAHLLOKOSA-N 1 2 363.458 2.091 20 30 FEEDLO COC[C@H]1C[N@@H+](CC(=O)NC(=O)Nc2ccc(C)cc2C)CC(C)(C)O1 ZINC000330515051 554132037 /nfs/dbraw/zinc/13/20/37/554132037.db2.gz DQVGSKVMQGFFQD-OAHLLOKOSA-N 1 2 363.458 2.091 20 30 FEEDLO CC(=O)N[C@@H](C)C1CC[NH+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC1 ZINC000331121754 554216963 /nfs/dbraw/zinc/21/69/63/554216963.db2.gz NAWQBDKJOPFSJH-QWHCGFSZSA-N 1 2 360.458 2.332 20 30 FEEDLO Cc1cc(S(=O)(=O)N2CC[NH+](Cc3cccs3)CC2)ccc1C#N ZINC000331310539 554245362 /nfs/dbraw/zinc/24/53/62/554245362.db2.gz YUFVYYVOPQGDSH-UHFFFAOYSA-N 1 2 361.492 2.435 20 30 FEEDLO CC1(C)C[S@@](=O)CC[N@@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000331351548 554249848 /nfs/dbraw/zinc/24/98/48/554249848.db2.gz OFCYARIAEIULLT-QHCPKHFHSA-N 1 2 353.875 2.383 20 30 FEEDLO CC1(C)C[S@@](=O)CC[N@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000331351548 554249851 /nfs/dbraw/zinc/24/98/51/554249851.db2.gz OFCYARIAEIULLT-QHCPKHFHSA-N 1 2 353.875 2.383 20 30 FEEDLO C[C@@H]1CCN(C(=O)C(=O)N2CCC(C#N)([NH+](C)C)CC2)CC12CCCCC2 ZINC000331400002 554258171 /nfs/dbraw/zinc/25/81/71/554258171.db2.gz LKOMPLHVULYSCK-QGZVFWFLSA-N 1 2 374.529 2.252 20 30 FEEDLO N#CC1(CS(=O)(=O)NCC[N@@H+]2CCc3sccc3C2)CCCCC1 ZINC000331566529 554286365 /nfs/dbraw/zinc/28/63/65/554286365.db2.gz JZTXNQDNDOVOTJ-UHFFFAOYSA-N 1 2 367.540 2.500 20 30 FEEDLO N#CC1(CS(=O)(=O)NCC[N@H+]2CCc3sccc3C2)CCCCC1 ZINC000331566529 554286368 /nfs/dbraw/zinc/28/63/68/554286368.db2.gz JZTXNQDNDOVOTJ-UHFFFAOYSA-N 1 2 367.540 2.500 20 30 FEEDLO C[C@@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC[S@@]1=O ZINC000331889248 554339641 /nfs/dbraw/zinc/33/96/41/554339641.db2.gz GIFSNQMZYBIKFW-YYUOZPCZSA-N 1 2 365.524 2.280 20 30 FEEDLO C[C@@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC[S@@]1=O ZINC000331889248 554339642 /nfs/dbraw/zinc/33/96/42/554339642.db2.gz GIFSNQMZYBIKFW-YYUOZPCZSA-N 1 2 365.524 2.280 20 30 FEEDLO C=CCOC[C@@H]1NC(=O)N(Cc2ccc(N3CCCCCC3)[nH+]c2)C1=O ZINC000348432427 554685362 /nfs/dbraw/zinc/68/53/62/554685362.db2.gz SGHNPTFYWPGPIJ-INIZCTEOSA-N 1 2 358.442 2.085 20 30 FEEDLO Cc1[nH+]c2n(c1CN1CCN(C(=O)c3cc(C#N)cs3)CC1)CCCC2 ZINC000362240130 554957830 /nfs/dbraw/zinc/95/78/30/554957830.db2.gz TWXJKGQIOFFUOW-UHFFFAOYSA-N 1 2 369.494 2.419 20 30 FEEDLO CN(C1CCN(c2cccc[nH+]2)CC1)S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000363644974 555154035 /nfs/dbraw/zinc/15/40/35/555154035.db2.gz LPHMYQHAUPVMFJ-UHFFFAOYSA-N 1 2 374.441 2.382 20 30 FEEDLO O=C(NCC#Cc1cccc(F)c1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000512173097 561894927 /nfs/dbraw/zinc/89/49/27/561894927.db2.gz SCKIOUXHAORAKS-UHFFFAOYSA-N 1 2 352.413 2.100 20 30 FEEDLO Cc1[nH+]c2ccccc2n1CC(=O)NC1CCN(c2ccc(C#N)cn2)CC1 ZINC000364730169 555387927 /nfs/dbraw/zinc/38/79/27/555387927.db2.gz ORRFVCDAQDRHMP-UHFFFAOYSA-N 1 2 374.448 2.397 20 30 FEEDLO N#CCCn1cc(C(=O)C[N@@H+]2CCC[C@@]3(CNC(=O)O3)C2)c2ccccc21 ZINC000364787038 555402746 /nfs/dbraw/zinc/40/27/46/555402746.db2.gz GTDYEENEWODBLI-HXUWFJFHSA-N 1 2 366.421 2.312 20 30 FEEDLO N#CCCn1cc(C(=O)C[N@H+]2CCC[C@@]3(CNC(=O)O3)C2)c2ccccc21 ZINC000364787038 555402748 /nfs/dbraw/zinc/40/27/48/555402748.db2.gz GTDYEENEWODBLI-HXUWFJFHSA-N 1 2 366.421 2.312 20 30 FEEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCC[C@]2(CNC(=O)O2)C1 ZINC000364794738 555405298 /nfs/dbraw/zinc/40/52/98/555405298.db2.gz WYBNFFCGYYOAHO-DIFFPNOSSA-N 1 2 362.817 2.113 20 30 FEEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCC[C@]2(CNC(=O)O2)C1 ZINC000364794738 555405300 /nfs/dbraw/zinc/40/53/00/555405300.db2.gz WYBNFFCGYYOAHO-DIFFPNOSSA-N 1 2 362.817 2.113 20 30 FEEDLO Cc1[nH+]c2ccccn2c1[C@H]1C(=O)NCCN1Cc1ccc(F)cc1C#N ZINC000365164510 555499564 /nfs/dbraw/zinc/49/95/64/555499564.db2.gz URXHZUFZXVZKCS-IBGZPJMESA-N 1 2 363.396 2.327 20 30 FEEDLO N#Cc1c(F)ccc(C[N@@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)c1Cl ZINC000366049130 555736693 /nfs/dbraw/zinc/73/66/93/555736693.db2.gz KWWWUGMVNYMNRZ-CYBMUJFWSA-N 1 2 371.865 2.351 20 30 FEEDLO N#Cc1c(F)ccc(C[N@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)c1Cl ZINC000366049130 555736697 /nfs/dbraw/zinc/73/66/97/555736697.db2.gz KWWWUGMVNYMNRZ-CYBMUJFWSA-N 1 2 371.865 2.351 20 30 FEEDLO C=CCNC(=O)C[NH+]1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000514880328 561984829 /nfs/dbraw/zinc/98/48/29/561984829.db2.gz YHQFRNRQBZBZFH-UHFFFAOYSA-N 1 2 372.347 2.038 20 30 FEEDLO O=C1[C@@H]2C[N@H+](CC#Cc3ccc(F)cc3)CCN2C(=O)N1c1ccccc1 ZINC000367772105 556135383 /nfs/dbraw/zinc/13/53/83/556135383.db2.gz XNXYXGSIYPQIGQ-IBGZPJMESA-N 1 2 363.392 2.330 20 30 FEEDLO O=C1[C@@H]2C[N@@H+](CC#Cc3ccc(F)cc3)CCN2C(=O)N1c1ccccc1 ZINC000367772105 556135384 /nfs/dbraw/zinc/13/53/84/556135384.db2.gz XNXYXGSIYPQIGQ-IBGZPJMESA-N 1 2 363.392 2.330 20 30 FEEDLO N#CC1(NC(=O)C[N@H+]2CCCN(c3cncc(F)c3)CC2)CCCCC1 ZINC000368450631 556312833 /nfs/dbraw/zinc/31/28/33/556312833.db2.gz KZADSGGQRNYDJL-UHFFFAOYSA-N 1 2 359.449 2.075 20 30 FEEDLO N#CC1(NC(=O)C[N@@H+]2CCCN(c3cncc(F)c3)CC2)CCCCC1 ZINC000368450631 556312838 /nfs/dbraw/zinc/31/28/38/556312838.db2.gz KZADSGGQRNYDJL-UHFFFAOYSA-N 1 2 359.449 2.075 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1NC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(OC)cc1 ZINC000515453070 562010881 /nfs/dbraw/zinc/01/08/81/562010881.db2.gz PZBPBYODLODXDX-IXDOHACOSA-N 1 2 356.426 2.161 20 30 FEEDLO Cc1oc(NC(=O)C[N@@H+]2CC[C@]3(C2)c2ccccc2NC3=O)c(C#N)c1C ZINC000368712542 556394568 /nfs/dbraw/zinc/39/45/68/556394568.db2.gz OQFLPDXLRUMPFP-FQEVSTJZSA-N 1 2 364.405 2.302 20 30 FEEDLO Cc1oc(NC(=O)C[N@H+]2CC[C@]3(C2)c2ccccc2NC3=O)c(C#N)c1C ZINC000368712542 556394571 /nfs/dbraw/zinc/39/45/71/556394571.db2.gz OQFLPDXLRUMPFP-FQEVSTJZSA-N 1 2 364.405 2.302 20 30 FEEDLO CCc1nc([C@H]2CCC[N@@H+]([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)no1 ZINC000368996522 556471943 /nfs/dbraw/zinc/47/19/43/556471943.db2.gz WFBLTTLXLVGXEW-DOTOQJQBSA-N 1 2 365.437 2.489 20 30 FEEDLO CCc1nc([C@H]2CCC[N@H+]([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)no1 ZINC000368996522 556471945 /nfs/dbraw/zinc/47/19/45/556471945.db2.gz WFBLTTLXLVGXEW-DOTOQJQBSA-N 1 2 365.437 2.489 20 30 FEEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@H](NC(=O)C2CCC2)C1 ZINC000369060075 556492267 /nfs/dbraw/zinc/49/22/67/556492267.db2.gz AMFKLDWHDYQNGT-HNNXBMFYSA-N 1 2 372.494 2.231 20 30 FEEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1CC[C@H](NC(=O)C2CCC2)C1 ZINC000369060075 556492271 /nfs/dbraw/zinc/49/22/71/556492271.db2.gz AMFKLDWHDYQNGT-HNNXBMFYSA-N 1 2 372.494 2.231 20 30 FEEDLO Cc1[nH+]c2ccc(C(=O)N3CCC(Nc4ccc(C#N)cn4)CC3)cc2n1C ZINC000369152687 556518070 /nfs/dbraw/zinc/51/80/70/556518070.db2.gz BWFFDRGUOKYZPE-UHFFFAOYSA-N 1 2 374.448 2.865 20 30 FEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC000516573670 562048911 /nfs/dbraw/zinc/04/89/11/562048911.db2.gz BVYIHRBRMAFARL-MRXNPFEDSA-N 1 2 365.359 2.465 20 30 FEEDLO C[C@H](C(=O)Nc1c(F)cccc1F)[NH+]1CCC(n2cnc(C#N)n2)CC1 ZINC000370120695 556786008 /nfs/dbraw/zinc/78/60/08/556786008.db2.gz IRLRCTBWKLQVGT-LLVKDONJSA-N 1 2 360.368 2.092 20 30 FEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(C)=O ZINC000370234754 556818219 /nfs/dbraw/zinc/81/82/19/556818219.db2.gz ADCNDVYVPXEZDO-QRVBRYPASA-N 1 2 355.438 2.248 20 30 FEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H]1[C@H]1CCCN1C(C)=O ZINC000370234754 556818222 /nfs/dbraw/zinc/81/82/22/556818222.db2.gz ADCNDVYVPXEZDO-QRVBRYPASA-N 1 2 355.438 2.248 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[NH+]2CCC(c3cnccn3)CC2)cc1 ZINC000370445193 556875210 /nfs/dbraw/zinc/87/52/10/556875210.db2.gz SANXINIJPNBXKS-UHFFFAOYSA-N 1 2 356.451 2.002 20 30 FEEDLO Cc1nc(C)n(C[C@H]2CCCC[N@@H+]2CC(=O)Nc2sccc2C#N)n1 ZINC000370790529 556968765 /nfs/dbraw/zinc/96/87/65/556968765.db2.gz PYIIOCMCGQUMLD-OAHLLOKOSA-N 1 2 358.471 2.321 20 30 FEEDLO Cc1nc(C)n(C[C@H]2CCCC[N@H+]2CC(=O)Nc2sccc2C#N)n1 ZINC000370790529 556968767 /nfs/dbraw/zinc/96/87/67/556968767.db2.gz PYIIOCMCGQUMLD-OAHLLOKOSA-N 1 2 358.471 2.321 20 30 FEEDLO C=C1CC[NH+]([C@H](C)C(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)CC1 ZINC000517468581 562090852 /nfs/dbraw/zinc/09/08/52/562090852.db2.gz SKOILQJXMIORTC-CYBMUJFWSA-N 1 2 360.410 2.239 20 30 FEEDLO C[NH+]1CCC(C#N)(NC(=O)c2n[nH]c3ccc(Br)cc32)CC1 ZINC000518950035 562121649 /nfs/dbraw/zinc/12/16/49/562121649.db2.gz FMDALLAPPVMVHL-UHFFFAOYSA-N 1 2 362.231 2.043 20 30 FEEDLO N#Cc1ncccc1S(=O)(=O)N1C[C@H](n2cc[nH+]c2)Cc2ccccc21 ZINC000372990509 557605093 /nfs/dbraw/zinc/60/50/93/557605093.db2.gz OPOFKMPULQWPLF-OAHLLOKOSA-N 1 2 365.418 2.142 20 30 FEEDLO C[NH+](C)CCCN(CCC#N)C(=O)N=c1nc(-c2ccsc2)[nH]s1 ZINC000373027757 557612736 /nfs/dbraw/zinc/61/27/36/557612736.db2.gz WFZUEUXNMRYMMD-UHFFFAOYSA-N 1 2 364.500 2.388 20 30 FEEDLO N#Cc1ncn(C2CC[NH+](Cc3nc(CCc4ccccc4)no3)CC2)n1 ZINC000373398760 557686882 /nfs/dbraw/zinc/68/68/82/557686882.db2.gz IERAQACJJKOKFC-UHFFFAOYSA-N 1 2 363.425 2.155 20 30 FEEDLO N#CC[C@@H](CC(=O)NC[C@]1([NH+]2CCOCC2)CCCOC1)c1ccccc1 ZINC000373548054 557716026 /nfs/dbraw/zinc/71/60/26/557716026.db2.gz OOXNTZOMROAOKZ-PZJWPPBQSA-N 1 2 371.481 2.072 20 30 FEEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC(C)(C)O[C@]2(CCCOC2)C1 ZINC000373797040 557761123 /nfs/dbraw/zinc/76/11/23/557761123.db2.gz MJFHVMDWIIBDPV-OXQOHEQNSA-N 1 2 363.502 2.378 20 30 FEEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC(C)(C)O[C@]2(CCCOC2)C1 ZINC000373797040 557761126 /nfs/dbraw/zinc/76/11/26/557761126.db2.gz MJFHVMDWIIBDPV-OXQOHEQNSA-N 1 2 363.502 2.378 20 30 FEEDLO CN(C(=O)COc1ccccc1C#N)C1CCN(c2cccc[nH+]2)CC1 ZINC000374000281 557804781 /nfs/dbraw/zinc/80/47/81/557804781.db2.gz CLFZBBPFCXYJGH-UHFFFAOYSA-N 1 2 350.422 2.459 20 30 FEEDLO N#C[C@H]1C[N@@H+](Cc2ccc(-n3ccnc3)nc2)C[C@@]12C(=O)Nc1ccccc12 ZINC000374355042 557870828 /nfs/dbraw/zinc/87/08/28/557870828.db2.gz XDVZPVMBSPBPPH-HRAATJIYSA-N 1 2 370.416 2.113 20 30 FEEDLO N#C[C@H]1C[N@H+](Cc2ccc(-n3ccnc3)nc2)C[C@@]12C(=O)Nc1ccccc12 ZINC000374355042 557870829 /nfs/dbraw/zinc/87/08/29/557870829.db2.gz XDVZPVMBSPBPPH-HRAATJIYSA-N 1 2 370.416 2.113 20 30 FEEDLO C=C(C)CS(=O)(=O)NCC1CC[NH+](Cc2csc(CC)n2)CC1 ZINC000375627704 558058926 /nfs/dbraw/zinc/05/89/26/558058926.db2.gz KGTDKEMWXQZDLA-UHFFFAOYSA-N 1 2 357.545 2.413 20 30 FEEDLO C#CCn1ccc(CN(CC)C(=O)NC[C@@H]2CCCn3cc(C)[nH+]c32)n1 ZINC000376083057 558124602 /nfs/dbraw/zinc/12/46/02/558124602.db2.gz POAMDFWXVUAYLK-INIZCTEOSA-N 1 2 354.458 2.130 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)N2CCC[N@@H+](Cc3ccccc3F)CC2)o1 ZINC000376244574 558146990 /nfs/dbraw/zinc/14/69/90/558146990.db2.gz VLGNSIBDEOOEQX-UHFFFAOYSA-N 1 2 363.414 2.187 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)N2CCC[N@H+](Cc3ccccc3F)CC2)o1 ZINC000376244574 558146992 /nfs/dbraw/zinc/14/69/92/558146992.db2.gz VLGNSIBDEOOEQX-UHFFFAOYSA-N 1 2 363.414 2.187 20 30 FEEDLO C=CC[N@@H+](CC(=O)Nc1c(C(=O)OCC)cnn1C)Cc1ccccc1 ZINC000522208745 562194268 /nfs/dbraw/zinc/19/42/68/562194268.db2.gz OLCGURXMPVGDMX-UHFFFAOYSA-N 1 2 356.426 2.224 20 30 FEEDLO C=CC[N@H+](CC(=O)Nc1c(C(=O)OCC)cnn1C)Cc1ccccc1 ZINC000522208745 562194269 /nfs/dbraw/zinc/19/42/69/562194269.db2.gz OLCGURXMPVGDMX-UHFFFAOYSA-N 1 2 356.426 2.224 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@@H]2c2ccc(O)cc2)nc1 ZINC000377562294 558365104 /nfs/dbraw/zinc/36/51/04/558365104.db2.gz KKCSAYWGDSZHJO-QGZVFWFLSA-N 1 2 357.435 2.270 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H]2c2ccc(O)cc2)nc1 ZINC000377562294 558365108 /nfs/dbraw/zinc/36/51/08/558365108.db2.gz KKCSAYWGDSZHJO-QGZVFWFLSA-N 1 2 357.435 2.270 20 30 FEEDLO CN(C)C(=O)CN1CCC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000377983540 558457690 /nfs/dbraw/zinc/45/76/90/558457690.db2.gz CNZWMDKOTGKWSF-UHFFFAOYSA-N 1 2 367.415 2.153 20 30 FEEDLO CN(C)C(=O)CN1CCC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000377983540 558457691 /nfs/dbraw/zinc/45/76/91/558457691.db2.gz CNZWMDKOTGKWSF-UHFFFAOYSA-N 1 2 367.415 2.153 20 30 FEEDLO CC[C@@H](C#N)Oc1cc(CNC(=O)N2CCn3c[nH+]cc3C2)ccc1OC ZINC000378067907 558473288 /nfs/dbraw/zinc/47/32/88/558473288.db2.gz JACCPIGVFWXDCK-INIZCTEOSA-N 1 2 369.425 2.298 20 30 FEEDLO N#Cc1ccccc1OCC[N@@H+]1C[C@H](C#N)[C@@]2(C1)C(=O)Nc1ccccc12 ZINC000378294470 558522524 /nfs/dbraw/zinc/52/25/24/558522524.db2.gz VWIXODUXXLPGBG-HRAATJIYSA-N 1 2 358.401 2.283 20 30 FEEDLO N#Cc1ccccc1OCC[N@H+]1C[C@H](C#N)[C@@]2(C1)C(=O)Nc1ccccc12 ZINC000378294470 558522527 /nfs/dbraw/zinc/52/25/27/558522527.db2.gz VWIXODUXXLPGBG-HRAATJIYSA-N 1 2 358.401 2.283 20 30 FEEDLO N#Cc1ccc(CNC(=O)C[N@H+]2CCC[C@H](OCC(F)(F)F)C2)cc1 ZINC000523442914 562213336 /nfs/dbraw/zinc/21/33/36/562213336.db2.gz WLSDAEMFBMRSGC-HNNXBMFYSA-N 1 2 355.360 2.218 20 30 FEEDLO N#Cc1ccc(CNC(=O)C[N@@H+]2CCC[C@H](OCC(F)(F)F)C2)cc1 ZINC000523442914 562213337 /nfs/dbraw/zinc/21/33/37/562213337.db2.gz WLSDAEMFBMRSGC-HNNXBMFYSA-N 1 2 355.360 2.218 20 30 FEEDLO Cc1cccc(CNC(=O)CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000523638759 562216355 /nfs/dbraw/zinc/21/63/55/562216355.db2.gz ARNCXHVIGRCHAZ-UHFFFAOYSA-N 1 2 362.477 2.301 20 30 FEEDLO Cc1[nH+]c2n(c1CN1CCN(c3nnc(C)c(C)c3C#N)CC1)CCCC2 ZINC000378526010 558575312 /nfs/dbraw/zinc/57/53/12/558575312.db2.gz KBRJUWORNLFBNH-UHFFFAOYSA-N 1 2 365.485 2.129 20 30 FEEDLO CSc1[nH]c(=O)c(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)cc1C#N ZINC000408142852 558651188 /nfs/dbraw/zinc/65/11/88/558651188.db2.gz YMFGYVCRFJMPQM-KGLIPLIRSA-N 1 2 360.483 2.468 20 30 FEEDLO CSc1[nH]c(=O)c(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)cc1C#N ZINC000408142852 558651191 /nfs/dbraw/zinc/65/11/91/558651191.db2.gz YMFGYVCRFJMPQM-KGLIPLIRSA-N 1 2 360.483 2.468 20 30 FEEDLO C=CCCCN(C)C(=O)C(=O)N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000410487643 558767036 /nfs/dbraw/zinc/76/70/36/558767036.db2.gz DFCMXEXMEAACKD-KRWDZBQOSA-N 1 2 373.497 2.325 20 30 FEEDLO N#Cc1ccc(N2C(=O)C[C@@H]([NH+]3CCC(C(F)(F)F)CC3)C2=O)cc1 ZINC000525688083 562252237 /nfs/dbraw/zinc/25/22/37/562252237.db2.gz TVMQVXXOWMYDGO-CQSZACIVSA-N 1 2 351.328 2.464 20 30 FEEDLO C[N@H+](CC(=O)NC1(C#N)CCC1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000526135142 562268002 /nfs/dbraw/zinc/26/80/02/562268002.db2.gz PAQBPPKRWLTBQG-ZBFHGGJFSA-N 1 2 368.264 2.446 20 30 FEEDLO C[N@@H+](CC(=O)NC1(C#N)CCC1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000526135142 562268003 /nfs/dbraw/zinc/26/80/03/562268003.db2.gz PAQBPPKRWLTBQG-ZBFHGGJFSA-N 1 2 368.264 2.446 20 30 FEEDLO C[N@H+](CCC#N)C[C@@H](O)Cn1cnc2scc(-c3ccccc3)c2c1=O ZINC000414106194 559149403 /nfs/dbraw/zinc/14/94/03/559149403.db2.gz HYPGVZKMSNZLHV-OAHLLOKOSA-N 1 2 368.462 2.331 20 30 FEEDLO C[N@@H+](CCC#N)C[C@@H](O)Cn1cnc2scc(-c3ccccc3)c2c1=O ZINC000414106194 559149404 /nfs/dbraw/zinc/14/94/04/559149404.db2.gz HYPGVZKMSNZLHV-OAHLLOKOSA-N 1 2 368.462 2.331 20 30 FEEDLO Cn1c(SC[C@@H](O)C[N@H+](C)CCC#N)nnc1-c1cccc(Cl)c1 ZINC000414121747 559150141 /nfs/dbraw/zinc/15/01/41/559150141.db2.gz AMGCFAAUYOYFGD-AWEZNQCLSA-N 1 2 365.890 2.434 20 30 FEEDLO Cn1c(SC[C@@H](O)C[N@@H+](C)CCC#N)nnc1-c1cccc(Cl)c1 ZINC000414121747 559150143 /nfs/dbraw/zinc/15/01/43/559150143.db2.gz AMGCFAAUYOYFGD-AWEZNQCLSA-N 1 2 365.890 2.434 20 30 FEEDLO C[C@@H](CNS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1)Cn1cc[nH+]c1 ZINC000414467061 559166367 /nfs/dbraw/zinc/16/63/67/559166367.db2.gz IDLZTOZJFWVMPM-NSHDSACASA-N 1 2 372.372 2.388 20 30 FEEDLO C[C@@H]1[C@@H](C)[N@H+](C)CCN1S(=O)(=O)c1cc(Br)ccc1C#N ZINC000416446697 559313346 /nfs/dbraw/zinc/31/33/46/559313346.db2.gz AGFBLGDTXVHVDC-GHMZBOCLSA-N 1 2 372.288 2.034 20 30 FEEDLO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1S(=O)(=O)c1cc(Br)ccc1C#N ZINC000416446697 559313347 /nfs/dbraw/zinc/31/33/47/559313347.db2.gz AGFBLGDTXVHVDC-GHMZBOCLSA-N 1 2 372.288 2.034 20 30 FEEDLO CN(C)C(=O)c1ccccc1C[N@@H+]1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000417788883 559376549 /nfs/dbraw/zinc/37/65/49/559376549.db2.gz GFJFLMGJLTXPOM-KSFYIVLOSA-N 1 2 374.444 2.234 20 30 FEEDLO CN(C)C(=O)c1ccccc1C[N@H+]1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000417788883 559376550 /nfs/dbraw/zinc/37/65/50/559376550.db2.gz GFJFLMGJLTXPOM-KSFYIVLOSA-N 1 2 374.444 2.234 20 30 FEEDLO CC(C)(C[NH+]1CCOCC1)NC(=O)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000419606986 559449654 /nfs/dbraw/zinc/44/96/54/559449654.db2.gz GQSBCLNDYRNNRI-GOSISDBHSA-N 1 2 356.470 2.346 20 30 FEEDLO CC[C@@H]1C[N@H+](CCNC(=O)N[C@@H]2CCCc3cc(C#N)ccc32)CCO1 ZINC000419613421 559450009 /nfs/dbraw/zinc/45/00/09/559450009.db2.gz NMFNYHLKGUIRLM-IEBWSBKVSA-N 1 2 356.470 2.346 20 30 FEEDLO CC[C@@H]1C[N@@H+](CCNC(=O)N[C@@H]2CCCc3cc(C#N)ccc32)CCO1 ZINC000419613421 559450010 /nfs/dbraw/zinc/45/00/10/559450010.db2.gz NMFNYHLKGUIRLM-IEBWSBKVSA-N 1 2 356.470 2.346 20 30 FEEDLO C[C@@H](C(=O)NC1(C#N)CCC1)N1CCc2c([nH+]cn2-c2ccc(F)cc2)C1 ZINC000527298616 562284360 /nfs/dbraw/zinc/28/43/60/562284360.db2.gz QXGAUSSIUACHQV-AWEZNQCLSA-N 1 2 367.428 2.320 20 30 FEEDLO Cc1cccc(C(=O)N2CCC[N@@H+]([C@H](C)C(=O)NC3(C#N)CCC3)CC2)c1 ZINC000527300392 562284464 /nfs/dbraw/zinc/28/44/64/562284464.db2.gz XLJMQTYLQNTAAE-QGZVFWFLSA-N 1 2 368.481 2.094 20 30 FEEDLO Cc1cccc(C(=O)N2CCC[N@H+]([C@H](C)C(=O)NC3(C#N)CCC3)CC2)c1 ZINC000527300392 562284465 /nfs/dbraw/zinc/28/44/65/562284465.db2.gz XLJMQTYLQNTAAE-QGZVFWFLSA-N 1 2 368.481 2.094 20 30 FEEDLO Cc1cc(NCc2ccc(S(=O)(=O)NCC(C)C)cc2)c(C#N)c[nH+]1 ZINC000425248726 559693145 /nfs/dbraw/zinc/69/31/45/559693145.db2.gz RZBXFCDXTJIBSL-UHFFFAOYSA-N 1 2 358.467 2.230 20 30 FEEDLO Cc1cc(N[C@H]2CCN([C@@H](C(=O)OC(C)(C)C)C(C)C)C2=O)c(C#N)c[nH+]1 ZINC000425260406 559693883 /nfs/dbraw/zinc/69/38/83/559693883.db2.gz XDDYKNPTCRCHQV-DOTOQJQBSA-N 1 2 372.469 2.063 20 30 FEEDLO COC(=O)c1cnc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc(C#N)c2)s1 ZINC000425484518 559704874 /nfs/dbraw/zinc/70/48/74/559704874.db2.gz JCAMOOGNJGOCSX-QWRGUYRKSA-N 1 2 358.423 2.479 20 30 FEEDLO C=C[C@@H]1CCCCN1C(=O)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000427683550 559760329 /nfs/dbraw/zinc/76/03/29/559760329.db2.gz WFMYKGBKYHKCAU-QGZVFWFLSA-N 1 2 357.454 2.024 20 30 FEEDLO COC(=O)c1cc(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)cn1C ZINC000428452946 559775761 /nfs/dbraw/zinc/77/57/61/559775761.db2.gz NXVJBWJUSOPFFL-LJQANCHMSA-N 1 2 352.438 2.194 20 30 FEEDLO C[C@H](c1ccccc1)[C@@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)C(N)=O ZINC000428855338 559784888 /nfs/dbraw/zinc/78/48/88/559784888.db2.gz DCOVHKSCQAIZSV-FZKQIMNGSA-N 1 2 361.405 2.355 20 30 FEEDLO C[C@H](C(=O)NCC(=O)Nc1ccc(F)c(F)c1F)[N@H+](C)CC(C)(C)C#N ZINC000433298389 559876129 /nfs/dbraw/zinc/87/61/29/559876129.db2.gz OLAZXSSEQIYXTM-SNVBAGLBSA-N 1 2 370.375 2.029 20 30 FEEDLO C[C@H](C(=O)NCC(=O)Nc1ccc(F)c(F)c1F)[N@@H+](C)CC(C)(C)C#N ZINC000433298389 559876130 /nfs/dbraw/zinc/87/61/30/559876130.db2.gz OLAZXSSEQIYXTM-SNVBAGLBSA-N 1 2 370.375 2.029 20 30 FEEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000434699476 559906577 /nfs/dbraw/zinc/90/65/77/559906577.db2.gz LAEXRVCMAVCXPJ-SFHVURJKSA-N 1 2 372.513 2.364 20 30 FEEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000434699476 559906578 /nfs/dbraw/zinc/90/65/78/559906578.db2.gz LAEXRVCMAVCXPJ-SFHVURJKSA-N 1 2 372.513 2.364 20 30 FEEDLO N#Cc1cccc(C2(C(=O)NCc3cc[nH+]c(N4CCOCC4)c3)CC2)c1 ZINC000435038762 559914970 /nfs/dbraw/zinc/91/49/70/559914970.db2.gz WDXOZOZFOPFXKU-UHFFFAOYSA-N 1 2 362.433 2.138 20 30 FEEDLO CN(Cc1[nH+]ccn1CC(F)(F)F)S(=O)(=O)c1ccc(C#N)s1 ZINC000435426909 559922682 /nfs/dbraw/zinc/92/26/82/559922682.db2.gz JXDSXSHGEBANFB-UHFFFAOYSA-N 1 2 364.374 2.199 20 30 FEEDLO CCCn1cc[nH+]c1CCCN(C)S(=O)(=O)c1ccc(C#N)s1 ZINC000435446596 559923356 /nfs/dbraw/zinc/92/33/56/559923356.db2.gz KTVNXRCOKMWMPS-UHFFFAOYSA-N 1 2 352.485 2.480 20 30 FEEDLO N#CC1(NC(=O)C[N@H+]2CC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)CCC1 ZINC000527377793 562287140 /nfs/dbraw/zinc/28/71/40/562287140.db2.gz FKFVTBBNVDFODR-ZDUSSCGKSA-N 1 2 368.359 2.116 20 30 FEEDLO N#CC1(NC(=O)C[N@@H+]2CC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)CCC1 ZINC000527377793 562287141 /nfs/dbraw/zinc/28/71/41/562287141.db2.gz FKFVTBBNVDFODR-ZDUSSCGKSA-N 1 2 368.359 2.116 20 30 FEEDLO CO[C@@H]1C[C@@H](NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1(C)C ZINC000440242094 560007352 /nfs/dbraw/zinc/00/73/52/560007352.db2.gz MNGCBLOTRJNGLP-QZTJIDSGSA-N 1 2 356.470 2.199 20 30 FEEDLO CCOC(=O)[C@@H]1C[N@H+](CC(=O)NC2(C#N)CCCCC2)Cc2ccccc21 ZINC000441119179 560024390 /nfs/dbraw/zinc/02/43/90/560024390.db2.gz CZUGINIXEOQHDE-GOSISDBHSA-N 1 2 369.465 2.492 20 30 FEEDLO CCOC(=O)[C@@H]1C[N@@H+](CC(=O)NC2(C#N)CCCCC2)Cc2ccccc21 ZINC000441119179 560024391 /nfs/dbraw/zinc/02/43/91/560024391.db2.gz CZUGINIXEOQHDE-GOSISDBHSA-N 1 2 369.465 2.492 20 30 FEEDLO CCOC(=O)[C@H]1C[N@H+](CC(=O)N(CC)C[C@@H](C)C#N)Cc2ccccc21 ZINC000441135266 560025032 /nfs/dbraw/zinc/02/50/32/560025032.db2.gz SBXMXARQEJFYRH-YJBOKZPZSA-N 1 2 357.454 2.157 20 30 FEEDLO CCOC(=O)[C@H]1C[N@@H+](CC(=O)N(CC)C[C@@H](C)C#N)Cc2ccccc21 ZINC000441135266 560025033 /nfs/dbraw/zinc/02/50/33/560025033.db2.gz SBXMXARQEJFYRH-YJBOKZPZSA-N 1 2 357.454 2.157 20 30 FEEDLO CC(C)(C)OC(=O)C[NH2+][C@@]1(C)CCN(C(=O)Nc2ccc(C#N)cc2)C1 ZINC000441238668 560026911 /nfs/dbraw/zinc/02/69/11/560026911.db2.gz ZEBICEXSIQLHFO-IBGZPJMESA-N 1 2 358.442 2.486 20 30 FEEDLO COC(=O)[C@H]1CCC[N@H+](Cc2ccccc2C(C)(C)C#N)[C@@H]1C(=O)OC ZINC000441659174 560037092 /nfs/dbraw/zinc/03/70/92/560037092.db2.gz QYRLCPVRHLYTFV-RDJZCZTQSA-N 1 2 358.438 2.414 20 30 FEEDLO COC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2C(C)(C)C#N)[C@@H]1C(=O)OC ZINC000441659174 560037093 /nfs/dbraw/zinc/03/70/93/560037093.db2.gz QYRLCPVRHLYTFV-RDJZCZTQSA-N 1 2 358.438 2.414 20 30 FEEDLO C=CCNC(=O)Cc1noc(CCn2c(CCC)[nH+]c3ccccc32)n1 ZINC000445336230 560131982 /nfs/dbraw/zinc/13/19/82/560131982.db2.gz WWJHUVRODFBJFB-UHFFFAOYSA-N 1 2 353.426 2.459 20 30 FEEDLO Cc1ccc(NC(=O)CCN2CC[NH+](Cc3ccc(C#N)cc3)CC2)nc1 ZINC000447002725 560155030 /nfs/dbraw/zinc/15/50/30/560155030.db2.gz MZDIDIXTSWMUMI-UHFFFAOYSA-N 1 2 363.465 2.408 20 30 FEEDLO C[C@H]1C[C@@]1(C#N)C(=O)N1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000448809532 560200481 /nfs/dbraw/zinc/20/04/81/560200481.db2.gz JGWINKFESWQAKE-UGSOOPFHSA-N 1 2 357.845 2.182 20 30 FEEDLO C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)c1ccc(C#N)n1C ZINC000448894453 560205372 /nfs/dbraw/zinc/20/53/72/560205372.db2.gz AJTLWBDAAPJAQJ-QGZVFWFLSA-N 1 2 366.465 2.260 20 30 FEEDLO COc1ccc(-n2cc(C[NH+]3CCN(c4ncccc4C#N)CC3)cn2)cc1 ZINC000449007387 560211592 /nfs/dbraw/zinc/21/15/92/560211592.db2.gz CTTMFLGVBHKQGG-UHFFFAOYSA-N 1 2 374.448 2.470 20 30 FEEDLO Cc1ccc([C@@H](CNC(=O)c2ccc(C#N)n2C)[NH+]2CCOCC2)s1 ZINC000450045625 560249159 /nfs/dbraw/zinc/24/91/59/560249159.db2.gz QZFKWQVLFCHXGA-MRXNPFEDSA-N 1 2 358.467 2.070 20 30 FEEDLO C=CC[N@H+](Cc1cn(CC2CC2)nn1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000450393225 560261046 /nfs/dbraw/zinc/26/10/46/560261046.db2.gz OMFBJNDIDFNVLR-HNNXBMFYSA-N 1 2 364.457 2.413 20 30 FEEDLO C=CC[N@@H+](Cc1cn(CC2CC2)nn1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000450393225 560261047 /nfs/dbraw/zinc/26/10/47/560261047.db2.gz OMFBJNDIDFNVLR-HNNXBMFYSA-N 1 2 364.457 2.413 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000451254248 560296021 /nfs/dbraw/zinc/29/60/21/560296021.db2.gz BHENMUWHJSFVCN-VUBSUSDNSA-N 1 2 361.461 2.229 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1C[C@@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000451254248 560296022 /nfs/dbraw/zinc/29/60/22/560296022.db2.gz BHENMUWHJSFVCN-VUBSUSDNSA-N 1 2 361.461 2.229 20 30 FEEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC[C@@](O)(C(F)F)C1 ZINC000451427482 560306487 /nfs/dbraw/zinc/30/64/87/560306487.db2.gz JEJXPRBBBVGIJV-PXAZEXFGSA-N 1 2 355.360 2.163 20 30 FEEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CC[C@@](O)(C(F)F)C1 ZINC000451427482 560306488 /nfs/dbraw/zinc/30/64/88/560306488.db2.gz JEJXPRBBBVGIJV-PXAZEXFGSA-N 1 2 355.360 2.163 20 30 FEEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CC3(CCC3)[C@H]2c2ccco2)CC1 ZINC000451862816 560333204 /nfs/dbraw/zinc/33/32/04/560333204.db2.gz VRQRSWYXDKEMMG-YLJYHZDGSA-N 1 2 370.497 2.499 20 30 FEEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CC3(CCC3)[C@H]2c2ccco2)CC1 ZINC000451862816 560333205 /nfs/dbraw/zinc/33/32/05/560333205.db2.gz VRQRSWYXDKEMMG-YLJYHZDGSA-N 1 2 370.497 2.499 20 30 FEEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCC[C@H](NC(=O)N(C)C)C1 ZINC000452019910 560345796 /nfs/dbraw/zinc/34/57/96/560345796.db2.gz RLHCAGJNUFBMIH-SJORKVTESA-N 1 2 371.485 2.057 20 30 FEEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCC[C@H](NC(=O)N(C)C)C1 ZINC000452019910 560345797 /nfs/dbraw/zinc/34/57/97/560345797.db2.gz RLHCAGJNUFBMIH-SJORKVTESA-N 1 2 371.485 2.057 20 30 FEEDLO CC[N@H+](CCCNC(=O)C(=O)Nc1ccc(C#N)c(C)n1)c1ccccc1 ZINC000453590512 560390082 /nfs/dbraw/zinc/39/00/82/560390082.db2.gz OTZRDLRERYFEDV-UHFFFAOYSA-N 1 2 365.437 2.233 20 30 FEEDLO CC[N@@H+](CCCNC(=O)C(=O)Nc1ccc(C#N)c(C)n1)c1ccccc1 ZINC000453590512 560390083 /nfs/dbraw/zinc/39/00/83/560390083.db2.gz OTZRDLRERYFEDV-UHFFFAOYSA-N 1 2 365.437 2.233 20 30 FEEDLO Cc1cc(C#N)cc(NC(=O)C(=O)N2CC[NH+](Cc3cccs3)CC2)c1 ZINC000453594131 560390364 /nfs/dbraw/zinc/39/03/64/560390364.db2.gz WPBRWIYBQQYNJL-UHFFFAOYSA-N 1 2 368.462 2.211 20 30 FEEDLO CC(C)(C)c1cc(C#N)c(NC(=O)C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)s1 ZINC000453760488 560402307 /nfs/dbraw/zinc/40/23/07/560402307.db2.gz KIWDPKPZSHZUGA-LLVKDONJSA-N 1 2 371.466 2.253 20 30 FEEDLO CC(C)(C)c1cc(C#N)c(NC(=O)C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)s1 ZINC000453760488 560402308 /nfs/dbraw/zinc/40/23/08/560402308.db2.gz KIWDPKPZSHZUGA-LLVKDONJSA-N 1 2 371.466 2.253 20 30 FEEDLO C=CCC[C@H](CO)NC(=O)C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000454050072 560424976 /nfs/dbraw/zinc/42/49/76/560424976.db2.gz DGUNAAWZYHZMRI-OAHLLOKOSA-N 1 2 370.453 2.145 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1NC(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000454360047 560441606 /nfs/dbraw/zinc/44/16/06/560441606.db2.gz SWKSOTYAPKCMLU-OLZOCXBDSA-N 1 2 365.231 2.240 20 30 FEEDLO C=CCC1(CNC(=O)N[C@@H]2CCC(=O)N[C@H]2c2c[nH+]cn2C)CCCC1 ZINC000454924580 560463607 /nfs/dbraw/zinc/46/36/07/560463607.db2.gz ITPHBGTWVIZTOD-RHSMWYFYSA-N 1 2 359.474 2.176 20 30 FEEDLO CCO[C@@H]1CCC[C@H]1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000455578610 560487990 /nfs/dbraw/zinc/48/79/90/560487990.db2.gz QISCBSIRHARTAP-RTBURBONSA-N 1 2 356.470 2.343 20 30 FEEDLO Cc1nc(N2CCN(C(=O)Nc3cnc(C#N)c(Cl)c3)CC2)cc[nH+]1 ZINC000455790008 560494780 /nfs/dbraw/zinc/49/47/80/560494780.db2.gz PQIOZCDESHIMRP-UHFFFAOYSA-N 1 2 357.805 2.059 20 30 FEEDLO CC(C)c1ncsc1NC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000455855752 560497775 /nfs/dbraw/zinc/49/77/75/560497775.db2.gz ZQURDRBZJDCUJK-UHFFFAOYSA-N 1 2 351.476 2.346 20 30 FEEDLO C[C@@H]1CN(c2ccc(CNC(=O)N(C)CC(C)(C)C#N)c[nH+]2)C[C@@H](C)O1 ZINC000457646341 560579665 /nfs/dbraw/zinc/57/96/65/560579665.db2.gz GIGFHDICIJZNGA-HUUCEWRRSA-N 1 2 359.474 2.386 20 30 FEEDLO CC(C)(CC#N)CNC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000458047552 560600864 /nfs/dbraw/zinc/60/08/64/560600864.db2.gz YAYWZTDXVVVCOM-MRXNPFEDSA-N 1 2 359.474 2.073 20 30 FEEDLO CC(C)(CC#N)CNC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000458047552 560600865 /nfs/dbraw/zinc/60/08/65/560600865.db2.gz YAYWZTDXVVVCOM-MRXNPFEDSA-N 1 2 359.474 2.073 20 30 FEEDLO CCOC(=O)c1noc(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)n1 ZINC000459339194 560681060 /nfs/dbraw/zinc/68/10/60/560681060.db2.gz NKDXDIMQMYXVRO-UHFFFAOYSA-N 1 2 356.382 2.161 20 30 FEEDLO C[N@@H+](Cc1c(C#N)cccc1[N+](=O)[O-])C[C@@H]1C[C@H](F)CN1c1ccncn1 ZINC000459409859 560684888 /nfs/dbraw/zinc/68/48/88/560684888.db2.gz KBUNXXRVZUAYLW-GJZGRUSLSA-N 1 2 370.388 2.305 20 30 FEEDLO C[N@H+](Cc1c(C#N)cccc1[N+](=O)[O-])C[C@@H]1C[C@H](F)CN1c1ccncn1 ZINC000459409859 560684889 /nfs/dbraw/zinc/68/48/89/560684889.db2.gz KBUNXXRVZUAYLW-GJZGRUSLSA-N 1 2 370.388 2.305 20 30 FEEDLO CCn1cc(C#N)c(=O)n(CCCCCn2c(C)[nH+]c3ccccc32)c1=O ZINC000460875420 560754091 /nfs/dbraw/zinc/75/40/91/560754091.db2.gz LMKOTGTWZKOJFQ-UHFFFAOYSA-N 1 2 365.437 2.430 20 30 FEEDLO Cc1oc2ccccc2c1CC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000464568447 560845530 /nfs/dbraw/zinc/84/55/30/560845530.db2.gz KJHGENRNTPDFKP-UHFFFAOYSA-N 1 2 355.438 2.358 20 30 FEEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000465888670 560875127 /nfs/dbraw/zinc/87/51/27/560875127.db2.gz DRKQOWSPAZELTO-BHIYHBOVSA-N 1 2 356.470 2.188 20 30 FEEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000465888670 560875128 /nfs/dbraw/zinc/87/51/28/560875128.db2.gz DRKQOWSPAZELTO-BHIYHBOVSA-N 1 2 356.470 2.188 20 30 FEEDLO C=CCOc1cc(OC)ccc1C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000469199480 560949683 /nfs/dbraw/zinc/94/96/83/560949683.db2.gz OKTZUSNHUPZBRI-UHFFFAOYSA-N 1 2 362.470 2.443 20 30 FEEDLO C=CCOc1cc(OC)ccc1C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000469199480 560949684 /nfs/dbraw/zinc/94/96/84/560949684.db2.gz OKTZUSNHUPZBRI-UHFFFAOYSA-N 1 2 362.470 2.443 20 30 FEEDLO N#Cc1cccnc1N1CC[NH+]([C@@H]2CCN(C3CCCCC3)C2=O)CC1 ZINC000528342307 562323725 /nfs/dbraw/zinc/32/37/25/562323725.db2.gz PRAQGPMCRZOSKN-GOSISDBHSA-N 1 2 353.470 2.009 20 30 FEEDLO O=C1c2ccccc2C(=O)N1CC#CC[N@@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000528347356 562323993 /nfs/dbraw/zinc/32/39/93/562323993.db2.gz AVYDKLAELOABPW-HXUWFJFHSA-N 1 2 360.413 2.360 20 30 FEEDLO O=C1c2ccccc2C(=O)N1CC#CC[N@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000528347356 562323994 /nfs/dbraw/zinc/32/39/94/562323994.db2.gz AVYDKLAELOABPW-HXUWFJFHSA-N 1 2 360.413 2.360 20 30 FEEDLO C[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2C#N)C[C@H](CC(F)(F)F)O1 ZINC000528560371 562336284 /nfs/dbraw/zinc/33/62/84/562336284.db2.gz JNVVPYPGKPPHDA-SNPRPXQTSA-N 1 2 358.360 2.340 20 30 FEEDLO C[C@@H]1C[N@@H+](C[C@H](O)COc2ccccc2C#N)C[C@H](CC(F)(F)F)O1 ZINC000528560371 562336285 /nfs/dbraw/zinc/33/62/85/562336285.db2.gz JNVVPYPGKPPHDA-SNPRPXQTSA-N 1 2 358.360 2.340 20 30 FEEDLO N#Cc1ccc(C2(NC(=O)[C@H]3CCc4c[nH+]cn4C3)CCOCC2)cc1 ZINC000530059270 562396386 /nfs/dbraw/zinc/39/63/86/562396386.db2.gz CMNBTDWLUVUANG-INIZCTEOSA-N 1 2 350.422 2.139 20 30 FEEDLO COc1cc2c(cc1F)C[N@H+](CC(=O)NCc1ccc(C#N)cc1)CC2 ZINC000540838623 562594231 /nfs/dbraw/zinc/59/42/31/562594231.db2.gz WFHCCDWVTSONEO-UHFFFAOYSA-N 1 2 353.397 2.380 20 30 FEEDLO COc1cc2c(cc1F)C[N@@H+](CC(=O)NCc1ccc(C#N)cc1)CC2 ZINC000540838623 562594232 /nfs/dbraw/zinc/59/42/32/562594232.db2.gz WFHCCDWVTSONEO-UHFFFAOYSA-N 1 2 353.397 2.380 20 30 FEEDLO C=C(C)Cn1c(C2CCC2)nnc1N1CC[NH+](CC(=O)N[C@H](C)CC)CC1 ZINC000549726239 562638563 /nfs/dbraw/zinc/63/85/63/562638563.db2.gz RTXXEXKAKYSOQQ-MRXNPFEDSA-N 1 2 374.533 2.158 20 30 FEEDLO Cc1cc(N2CCCC2)ccc1NC(=O)C[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602867622 568008504 /nfs/dbraw/zinc/00/85/04/568008504.db2.gz ZCRYMXCAMBPDMD-QZTJIDSGSA-N 1 2 369.513 2.452 20 30 FEEDLO C[N@H+](CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)[C@@H]1CCC[C@H]1C#N ZINC000602973894 568035109 /nfs/dbraw/zinc/03/51/09/568035109.db2.gz HDWKTVFCACXAKA-PKOBYXMFSA-N 1 2 368.481 2.488 20 30 FEEDLO C[N@@H+](CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)[C@@H]1CCC[C@H]1C#N ZINC000602973894 568035111 /nfs/dbraw/zinc/03/51/11/568035111.db2.gz HDWKTVFCACXAKA-PKOBYXMFSA-N 1 2 368.481 2.488 20 30 FEEDLO C[N@H+](CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)[C@H]1CCC[C@@H]1C#N ZINC000602981086 568037128 /nfs/dbraw/zinc/03/71/28/568037128.db2.gz ZKLDEEMLCQFYJH-IXDOHACOSA-N 1 2 371.510 2.081 20 30 FEEDLO C[N@@H+](CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)[C@H]1CCC[C@@H]1C#N ZINC000602981086 568037129 /nfs/dbraw/zinc/03/71/29/568037129.db2.gz ZKLDEEMLCQFYJH-IXDOHACOSA-N 1 2 371.510 2.081 20 30 FEEDLO N#CCC1(C[N@H+]2CCC[C@@H](NS(=O)(=O)c3cccc(F)c3)C2)CC1 ZINC000602791027 568041327 /nfs/dbraw/zinc/04/13/27/568041327.db2.gz BTZQGEPLBKILPP-OAHLLOKOSA-N 1 2 351.447 2.262 20 30 FEEDLO N#CCC1(C[N@@H+]2CCC[C@@H](NS(=O)(=O)c3cccc(F)c3)C2)CC1 ZINC000602791027 568041328 /nfs/dbraw/zinc/04/13/28/568041328.db2.gz BTZQGEPLBKILPP-OAHLLOKOSA-N 1 2 351.447 2.262 20 30 FEEDLO CCCOc1cccc(CNC(=O)C[N@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)c1 ZINC000602862387 568049878 /nfs/dbraw/zinc/04/98/78/568049878.db2.gz NPYAAJHXMCNTGE-CALCHBBNSA-N 1 2 358.486 2.010 20 30 FEEDLO CCCOc1cccc(CNC(=O)C[N@@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)c1 ZINC000602862387 568049879 /nfs/dbraw/zinc/04/98/79/568049879.db2.gz NPYAAJHXMCNTGE-CALCHBBNSA-N 1 2 358.486 2.010 20 30 FEEDLO CCN(CCC#N)C(=O)Cn1cc(Cn2c[nH+]c3cc(C)c(C)cc32)nn1 ZINC000603210371 568076198 /nfs/dbraw/zinc/07/61/98/568076198.db2.gz WQNDNNLUZXAYSV-UHFFFAOYSA-N 1 2 365.441 2.055 20 30 FEEDLO CCOC(=O)C1CC[NH+](Cc2cn(Cc3ccc(CC#N)cc3)nn2)CC1 ZINC000603222409 568077403 /nfs/dbraw/zinc/07/74/03/568077403.db2.gz LLSLWJXXAPMTIN-UHFFFAOYSA-N 1 2 367.453 2.168 20 30 FEEDLO CC(C)[C@H](C#N)N1CC[NH+](Cc2cc(=O)n3cc(Cl)ccc3n2)CC1 ZINC000609484299 568344328 /nfs/dbraw/zinc/34/43/28/568344328.db2.gz ACTBOCBYJFXRFF-INIZCTEOSA-N 1 2 359.861 2.014 20 30 FEEDLO C=CC[N@@H+](Cc1cc(C(=O)OC)co1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000735426797 598353928 /nfs/dbraw/zinc/35/39/28/598353928.db2.gz XHPLJEYXERHIOK-UHFFFAOYSA-N 1 2 353.382 2.435 20 30 FEEDLO C=CC[N@H+](Cc1cc(C(=O)OC)co1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000735426797 598353929 /nfs/dbraw/zinc/35/39/29/598353929.db2.gz XHPLJEYXERHIOK-UHFFFAOYSA-N 1 2 353.382 2.435 20 30 FEEDLO COc1ccc(-c2nn[nH]n2)cc1CO[NH+]=C(N)c1ccc(F)c(C)c1 ZINC000826184860 608150829 /nfs/dbraw/zinc/15/08/29/608150829.db2.gz NOIKWKGDTBWBAI-UHFFFAOYSA-N 1 2 356.361 2.160 20 30 FEEDLO Cn1c(N)nc(Cl)c1C=[NH+]Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000814828522 674882742 /nfs/dbraw/zinc/88/27/42/674882742.db2.gz HKUQVVVEJITKGM-UHFFFAOYSA-N 1 2 363.777 2.098 20 30 FEEDLO C#CCC[NH+]1CCN(C(=O)c2ccc(CSc3nccn3C)o2)CC1 ZINC000068444397 670471455 /nfs/dbraw/zinc/47/14/55/670471455.db2.gz SVSAPDRCPBLYKD-UHFFFAOYSA-N 1 2 358.467 2.087 20 30 FEEDLO C=C(Br)CNC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000069119638 670481054 /nfs/dbraw/zinc/48/10/54/670481054.db2.gz JAUTZYVXWPJUPT-UHFFFAOYSA-N 1 2 368.275 2.227 20 30 FEEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1ccc(NC[C@H]2CCCO2)c(F)c1 ZINC000570082299 670658117 /nfs/dbraw/zinc/65/81/17/670658117.db2.gz IAEPSWHJQBIQDU-JKSUJKDBSA-N 1 2 350.438 2.035 20 30 FEEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1ccc(NC[C@H]2CCCO2)c(F)c1 ZINC000570082299 670658122 /nfs/dbraw/zinc/65/81/22/670658122.db2.gz IAEPSWHJQBIQDU-JKSUJKDBSA-N 1 2 350.438 2.035 20 30 FEEDLO NC(Cc1ccc(Cl)cc1)=[NH+]OCC(=O)NCCOc1ccccc1 ZINC000106067183 670808182 /nfs/dbraw/zinc/80/81/82/670808182.db2.gz BHOQRRGZVAOIFE-UHFFFAOYSA-N 1 2 361.829 2.367 20 30 FEEDLO C#CCC[NH+]1CCN(C(=O)c2csc(I)c2)CC1 ZINC000107582507 670820441 /nfs/dbraw/zinc/82/04/41/670820441.db2.gz IGPRRLLZEWAMNE-UHFFFAOYSA-N 1 2 374.247 2.134 20 30 FEEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000572396015 670996822 /nfs/dbraw/zinc/99/68/22/670996822.db2.gz ZQEOCXPJDZVHCO-CQSZACIVSA-N 1 2 356.455 2.169 20 30 FEEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000572396015 670996825 /nfs/dbraw/zinc/99/68/25/670996825.db2.gz ZQEOCXPJDZVHCO-CQSZACIVSA-N 1 2 356.455 2.169 20 30 FEEDLO N#Cc1ccc(NC(=O)C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc1Cl ZINC000609131478 675911164 /nfs/dbraw/zinc/91/11/64/675911164.db2.gz QNDFFKUKSPXSPO-AWEZNQCLSA-N 1 2 357.801 2.210 20 30 FEEDLO COC(=O)C[N@@H+]1CCC[C@H](CNc2nc(C(F)(F)F)ccc2C#N)C1 ZINC000583470681 672097755 /nfs/dbraw/zinc/09/77/55/672097755.db2.gz YSZBHDRJVAOGKJ-LLVKDONJSA-N 1 2 356.348 2.269 20 30 FEEDLO COC(=O)C[N@H+]1CCC[C@H](CNc2nc(C(F)(F)F)ccc2C#N)C1 ZINC000583470681 672097758 /nfs/dbraw/zinc/09/77/58/672097758.db2.gz YSZBHDRJVAOGKJ-LLVKDONJSA-N 1 2 356.348 2.269 20 30 FEEDLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)c2cc(C#N)cs2)CC1 ZINC000610613817 675984342 /nfs/dbraw/zinc/98/43/42/675984342.db2.gz YCZZIJHXEHMQMZ-UHFFFAOYSA-N 1 2 354.435 2.260 20 30 FEEDLO CNS(=O)(=O)c1cccc(C(=O)/C=C/c2c[nH+]c3ccc(C)cn23)c1 ZINC000151412603 672162242 /nfs/dbraw/zinc/16/22/42/672162242.db2.gz FVYSATHWKJMYBB-BQYQJAHWSA-N 1 2 355.419 2.447 20 30 FEEDLO C=CCn1c(C2CC2)nn(C[N@H+]2CC[C@@H](COCCOC)C2)c1=S ZINC000173391090 672351083 /nfs/dbraw/zinc/35/10/83/672351083.db2.gz FJNDUWJURMKVNM-CQSZACIVSA-N 1 2 352.504 2.420 20 30 FEEDLO C=CCn1c(C2CC2)nn(C[N@@H+]2CC[C@@H](COCCOC)C2)c1=S ZINC000173391090 672351088 /nfs/dbraw/zinc/35/10/88/672351088.db2.gz FJNDUWJURMKVNM-CQSZACIVSA-N 1 2 352.504 2.420 20 30 FEEDLO N#Cc1c(Cl)cccc1S(=O)(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000611017146 676011083 /nfs/dbraw/zinc/01/10/83/676011083.db2.gz UECYHZLWMYRRCC-LBPRGKRZSA-N 1 2 350.831 2.434 20 30 FEEDLO Cc1nnc([C@H]2CC[N@@H+]([C@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)C2)[nH]1 ZINC000591053791 672644904 /nfs/dbraw/zinc/64/49/04/672644904.db2.gz OZZGAVSYHWGPTH-MFKMUULPSA-N 1 2 358.833 2.455 20 30 FEEDLO Cc1nnc([C@H]2CC[N@H+]([C@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)C2)[nH]1 ZINC000591053791 672644909 /nfs/dbraw/zinc/64/49/09/672644909.db2.gz OZZGAVSYHWGPTH-MFKMUULPSA-N 1 2 358.833 2.455 20 30 FEEDLO C[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592144671 672763576 /nfs/dbraw/zinc/76/35/76/672763576.db2.gz HRNJWLUUFRELLM-NHYWBVRUSA-N 1 2 357.332 2.263 20 30 FEEDLO C[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592144671 672763579 /nfs/dbraw/zinc/76/35/79/672763579.db2.gz HRNJWLUUFRELLM-NHYWBVRUSA-N 1 2 357.332 2.263 20 30 FEEDLO C[C@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592148400 672763960 /nfs/dbraw/zinc/76/39/60/672763960.db2.gz YEWOUOXGINYURN-IAQYHMDHSA-N 1 2 352.232 2.127 20 30 FEEDLO C[C@H](C(=O)Nc1cccc(Br)c1)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592148400 672763966 /nfs/dbraw/zinc/76/39/66/672763966.db2.gz YEWOUOXGINYURN-IAQYHMDHSA-N 1 2 352.232 2.127 20 30 FEEDLO Cn1cc[nH+]c1[C@H]1CCN(S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)C1 ZINC000593567986 672945935 /nfs/dbraw/zinc/94/59/35/672945935.db2.gz RMBQXKGBPVJIJW-AWEZNQCLSA-N 1 2 358.467 2.399 20 30 FEEDLO C[N@@H+]1CCO[C@H]([C@H](NC(=O)N2CCCOCC2)c2ccc(Cl)cc2)C1 ZINC000329042758 673071452 /nfs/dbraw/zinc/07/14/52/673071452.db2.gz OSQBVSQVTYNMOT-DLBZAZTESA-N 1 2 367.877 2.348 20 30 FEEDLO C[N@H+]1CCO[C@H]([C@H](NC(=O)N2CCCOCC2)c2ccc(Cl)cc2)C1 ZINC000329042758 673071457 /nfs/dbraw/zinc/07/14/57/673071457.db2.gz OSQBVSQVTYNMOT-DLBZAZTESA-N 1 2 367.877 2.348 20 30 FEEDLO N#Cc1c(NCCCCN2CC[NH+](CCO)CC2)cccc1C(F)F ZINC000594556260 673097272 /nfs/dbraw/zinc/09/72/72/673097272.db2.gz KGSYJWJRNGSSJV-UHFFFAOYSA-N 1 2 352.429 2.298 20 30 FEEDLO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)NCCc1c[nH+]cn1C ZINC000594724619 673124025 /nfs/dbraw/zinc/12/40/25/673124025.db2.gz XLTGEJNRLJCACL-UHFFFAOYSA-N 1 2 360.464 2.336 20 30 FEEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C)C[C@H]1COCCO1 ZINC000595737058 673287236 /nfs/dbraw/zinc/28/72/36/673287236.db2.gz PWVAZJUOJQESCG-CABCVRRESA-N 1 2 363.483 2.367 20 30 FEEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C)C[C@H]1COCCO1 ZINC000595737058 673287237 /nfs/dbraw/zinc/28/72/37/673287237.db2.gz PWVAZJUOJQESCG-CABCVRRESA-N 1 2 363.483 2.367 20 30 FEEDLO N#Cc1ccsc1N1CC[C@@H]([NH2+][C@@H](CO)c2ccc(F)cc2F)C1=O ZINC000595866538 673332133 /nfs/dbraw/zinc/33/21/33/673332133.db2.gz IRRKJNTTWKIATA-CABCVRRESA-N 1 2 363.389 2.326 20 30 FEEDLO CN(CCC#N)C[C@H](O)C[N@@H+]1CC[C@@H]1c1ccc(Br)cc1 ZINC000596037317 673351531 /nfs/dbraw/zinc/35/15/31/673351531.db2.gz HJSSNMDHWHZHQI-JKSUJKDBSA-N 1 2 352.276 2.402 20 30 FEEDLO CN(CCC#N)C[C@H](O)C[N@H+]1CC[C@@H]1c1ccc(Br)cc1 ZINC000596037317 673351534 /nfs/dbraw/zinc/35/15/34/673351534.db2.gz HJSSNMDHWHZHQI-JKSUJKDBSA-N 1 2 352.276 2.402 20 30 FEEDLO CCOC(=O)c1sc([C@@H](C)[NH2+]CC(=O)N[C@](C)(C#N)C2CC2)nc1C ZINC000542623316 673593646 /nfs/dbraw/zinc/59/36/46/673593646.db2.gz VCKJUIHYEMYMAW-PIGZYNQJSA-N 1 2 364.471 2.087 20 30 FEEDLO COC(=O)[C@H](NCC[N@@H+]1CCc2sccc2C1)c1ccc(C#N)cc1 ZINC000739991317 673641528 /nfs/dbraw/zinc/64/15/28/673641528.db2.gz WHTDQSNQFLCOIU-GOSISDBHSA-N 1 2 355.463 2.482 20 30 FEEDLO COC(=O)[C@H](NCC[N@H+]1CCc2sccc2C1)c1ccc(C#N)cc1 ZINC000739991317 673641530 /nfs/dbraw/zinc/64/15/30/673641530.db2.gz WHTDQSNQFLCOIU-GOSISDBHSA-N 1 2 355.463 2.482 20 30 FEEDLO N#CC1(CS(=O)(=O)N2CC[NH+](CCc3cccs3)CC2)CCCC1 ZINC000545384445 673764682 /nfs/dbraw/zinc/76/46/82/673764682.db2.gz BMEAYOCBYUZQSW-UHFFFAOYSA-N 1 2 367.540 2.322 20 30 FEEDLO N#Cc1ccc(C2CC[NH+]([C@@H]3CCN(CC(F)(F)F)C3=O)CC2)nc1 ZINC000602909268 673913583 /nfs/dbraw/zinc/91/35/83/673913583.db2.gz LEDKADCAJOEVEI-OAHLLOKOSA-N 1 2 352.360 2.296 20 30 FEEDLO CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+]Cc1nc(C#N)cs1 ZINC000567524533 675299865 /nfs/dbraw/zinc/29/98/65/675299865.db2.gz USKZGHFGQAYIAR-UHFFFAOYSA-N 1 2 364.496 2.132 20 30 FEEDLO C[S@@](=O)CC[NH+]1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000828583263 675831797 /nfs/dbraw/zinc/83/17/97/675831797.db2.gz UTSHTRJJNZUGHU-QVKFZJNVSA-N 1 2 370.316 2.010 20 30 FEEDLO N#C[C@H](c1cccc(Cl)c1)N1CC[NH+](CCn2ccccc2=O)CC1 ZINC000619295443 676371521 /nfs/dbraw/zinc/37/15/21/676371521.db2.gz FJULVEIVODWXNI-GOSISDBHSA-N 1 2 356.857 2.384 20 30 FEEDLO C=CCCn1cc(C[N@H+]2CCC[C@H](CNC(=O)CC(F)(F)F)C2)nn1 ZINC000653671811 677543283 /nfs/dbraw/zinc/54/32/83/677543283.db2.gz XKXKIPJWYHDPRF-CYBMUJFWSA-N 1 2 359.396 2.135 20 30 FEEDLO C=CCCn1cc(C[N@@H+]2CCC[C@H](CNC(=O)CC(F)(F)F)C2)nn1 ZINC000653671811 677543287 /nfs/dbraw/zinc/54/32/87/677543287.db2.gz XKXKIPJWYHDPRF-CYBMUJFWSA-N 1 2 359.396 2.135 20 30 FEEDLO C#CC[N@@H+](CC(=O)Nc1cccc(I)c1)C1CC1 ZINC000763959339 680796625 /nfs/dbraw/zinc/79/66/25/680796625.db2.gz GEECEHZYAMZYHR-UHFFFAOYSA-N 1 2 354.191 2.327 20 30 FEEDLO C#CC[N@H+](CC(=O)Nc1cccc(I)c1)C1CC1 ZINC000763959339 680796627 /nfs/dbraw/zinc/79/66/27/680796627.db2.gz GEECEHZYAMZYHR-UHFFFAOYSA-N 1 2 354.191 2.327 20 30 FEEDLO C=CCNC(=O)C[NH+]1CCN(c2ccnc3c(F)cc(Cl)cc23)CC1 ZINC000663360048 678726400 /nfs/dbraw/zinc/72/64/00/678726400.db2.gz KLRRTDOOSMZSNO-UHFFFAOYSA-N 1 2 362.836 2.452 20 30 FEEDLO COCC#CCN(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000671702378 679342277 /nfs/dbraw/zinc/34/22/77/679342277.db2.gz AVKDAEXTNMXGHG-UHFFFAOYSA-N 1 2 352.232 2.391 20 30 FEEDLO C=C(Cl)C(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)[C@@H]2C1 ZINC000974687431 679972984 /nfs/dbraw/zinc/97/29/84/679972984.db2.gz HDURUDKBYZHDJX-UKRRQHHQSA-N 1 2 364.877 2.099 20 30 FEEDLO C=C(Br)C[N@@H+]1CC[C@]2(NC(=O)[C@]34C[C@H]3COC4)CCC[C@@H]12 ZINC000990786447 680072999 /nfs/dbraw/zinc/07/29/99/680072999.db2.gz BXCYZZWKFFFNOB-LQKXBSAESA-N 1 2 355.276 2.045 20 30 FEEDLO C=C(Br)C[N@H+]1CC[C@]2(NC(=O)[C@]34C[C@H]3COC4)CCC[C@@H]12 ZINC000990786447 680073002 /nfs/dbraw/zinc/07/30/02/680073002.db2.gz BXCYZZWKFFFNOB-LQKXBSAESA-N 1 2 355.276 2.045 20 30 FEEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001021938737 680186150 /nfs/dbraw/zinc/18/61/50/680186150.db2.gz YEISCZRMZWRKRQ-DZGCQCFKSA-N 1 2 364.877 2.180 20 30 FEEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001021938737 680186154 /nfs/dbraw/zinc/18/61/54/680186154.db2.gz YEISCZRMZWRKRQ-DZGCQCFKSA-N 1 2 364.877 2.180 20 30 FEEDLO C#CCC[NH+]1CCN(C(=O)c2nccnc2Sc2ccccc2)CC1 ZINC000751827140 680202463 /nfs/dbraw/zinc/20/24/63/680202463.db2.gz BDNUMTRQILIAJY-UHFFFAOYSA-N 1 2 352.463 2.409 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1C[NH+](Cc2cccc(OC)c2Cl)C1 ZINC001031988461 680410381 /nfs/dbraw/zinc/41/03/81/680410381.db2.gz YXZKZYYTFYYLDS-CVEARBPZSA-N 1 2 364.873 2.488 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cc(OC)ns2)C1 ZINC001033086526 680415863 /nfs/dbraw/zinc/41/58/63/680415863.db2.gz JMDHXGBQYWQMSN-BMFZPTHFSA-N 1 2 365.499 2.166 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2cc(OC)ns2)C1 ZINC001033086526 680415865 /nfs/dbraw/zinc/41/58/65/680415865.db2.gz JMDHXGBQYWQMSN-BMFZPTHFSA-N 1 2 365.499 2.166 20 30 FEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCO[C@H]2c2cnn(C)c2)C1 ZINC001033164482 680419646 /nfs/dbraw/zinc/41/96/46/680419646.db2.gz FVEAVDLIRRWJNP-ZACQAIPSSA-N 1 2 366.893 2.173 20 30 FEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCO[C@H]2c2cnn(C)c2)C1 ZINC001033164482 680419647 /nfs/dbraw/zinc/41/96/47/680419647.db2.gz FVEAVDLIRRWJNP-ZACQAIPSSA-N 1 2 366.893 2.173 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([N@@H+](C)Cc2nnc(CC)s2)CC1 ZINC000985667343 680468644 /nfs/dbraw/zinc/46/86/44/680468644.db2.gz PVZRJBKIXCUSKV-CABCVRRESA-N 1 2 364.515 2.114 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([N@H+](C)Cc2nnc(CC)s2)CC1 ZINC000985667343 680468645 /nfs/dbraw/zinc/46/86/45/680468645.db2.gz PVZRJBKIXCUSKV-CABCVRRESA-N 1 2 364.515 2.114 20 30 FEEDLO C=C(Cl)C(C)(C)C(=O)N1CC([C@@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001006326005 680602579 /nfs/dbraw/zinc/60/25/79/680602579.db2.gz MELABKYAOMZRLC-LERXQTSPSA-N 1 2 364.877 2.255 20 30 FEEDLO C=C(Cl)C(C)(C)C(=O)N1CC([C@@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001006326005 680602582 /nfs/dbraw/zinc/60/25/82/680602582.db2.gz MELABKYAOMZRLC-LERXQTSPSA-N 1 2 364.877 2.255 20 30 FEEDLO N#Cc1csc(COC(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000842080698 680925526 /nfs/dbraw/zinc/92/55/26/680925526.db2.gz IESYBQKSAKSQIW-MRXNPFEDSA-N 1 2 357.435 2.349 20 30 FEEDLO N#Cc1csc(COC(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000842080698 680925529 /nfs/dbraw/zinc/92/55/29/680925529.db2.gz IESYBQKSAKSQIW-MRXNPFEDSA-N 1 2 357.435 2.349 20 30 FEEDLO COC[C@H](C[N@@H+]1CCO[C@@H](C)C1)OC(=O)c1ccc(C#N)c(Cl)c1 ZINC000842973013 680979409 /nfs/dbraw/zinc/97/94/09/680979409.db2.gz KHIQHZYBZUACOU-WFASDCNBSA-N 1 2 352.818 2.104 20 30 FEEDLO COC[C@H](C[N@H+]1CCO[C@@H](C)C1)OC(=O)c1ccc(C#N)c(Cl)c1 ZINC000842973013 680979410 /nfs/dbraw/zinc/97/94/10/680979410.db2.gz KHIQHZYBZUACOU-WFASDCNBSA-N 1 2 352.818 2.104 20 30 FEEDLO C=C(Cl)CN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3C[C@H]3C3CCC3)C2)CC1 ZINC001052096160 681071539 /nfs/dbraw/zinc/07/15/39/681071539.db2.gz FVHDENVRDKWMSR-FGTMMUONSA-N 1 2 351.922 2.394 20 30 FEEDLO C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1CNc1ncc(C#N)cc1Cl ZINC001054418802 681107991 /nfs/dbraw/zinc/10/79/91/681107991.db2.gz LIDLJDCZYGDLOQ-TZMCWYRMSA-N 1 2 358.833 2.010 20 30 FEEDLO Cc1nsc(N[C@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)c1C#N ZINC001057773295 681164424 /nfs/dbraw/zinc/16/44/24/681164424.db2.gz HHNUJTCUBLBCMH-YNEHKIRRSA-N 1 2 356.455 2.253 20 30 FEEDLO Cc1nsc(N[C@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)c1C#N ZINC001057773295 681164426 /nfs/dbraw/zinc/16/44/26/681164426.db2.gz HHNUJTCUBLBCMH-YNEHKIRRSA-N 1 2 356.455 2.253 20 30 FEEDLO N#Cc1sc(N[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)nc1Cl ZINC001059454453 681180796 /nfs/dbraw/zinc/18/07/96/681180796.db2.gz QORPVKNTKLEXIK-ZYUZMQFOSA-N 1 2 362.846 2.254 20 30 FEEDLO N#Cc1sc(N[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)nc1Cl ZINC001059454453 681180799 /nfs/dbraw/zinc/18/07/99/681180799.db2.gz QORPVKNTKLEXIK-ZYUZMQFOSA-N 1 2 362.846 2.254 20 30 FEEDLO CCOC(=O)[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000932645586 681276145 /nfs/dbraw/zinc/27/61/45/681276145.db2.gz XVAVWRPERYSNQD-NWDGAFQWSA-N 1 2 361.467 2.320 20 30 FEEDLO CCOC(=O)[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000932645586 681276146 /nfs/dbraw/zinc/27/61/46/681276146.db2.gz XVAVWRPERYSNQD-NWDGAFQWSA-N 1 2 361.467 2.320 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@@H](Cc3nccs3)C2)cc1 ZINC000934333461 681553222 /nfs/dbraw/zinc/55/32/22/681553222.db2.gz PVWNOWRAMFTHAP-HNNXBMFYSA-N 1 2 361.492 2.353 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@@H](Cc3nccs3)C2)cc1 ZINC000934333461 681553229 /nfs/dbraw/zinc/55/32/29/681553229.db2.gz PVWNOWRAMFTHAP-HNNXBMFYSA-N 1 2 361.492 2.353 20 30 FEEDLO C#C[C@@H]1CCC[N@@H+](CN2C(=O)N[C@](C)(c3ccc(Cl)s3)C2=O)C1 ZINC000848493369 681561261 /nfs/dbraw/zinc/56/12/61/681561261.db2.gz MKGLQZXOQYBVGU-BDJLRTHQSA-N 1 2 351.859 2.471 20 30 FEEDLO C#C[C@@H]1CCC[N@H+](CN2C(=O)N[C@](C)(c3ccc(Cl)s3)C2=O)C1 ZINC000848493369 681561265 /nfs/dbraw/zinc/56/12/65/681561265.db2.gz MKGLQZXOQYBVGU-BDJLRTHQSA-N 1 2 351.859 2.471 20 30 FEEDLO C=C(C)c1cccc(NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)c1 ZINC000934878482 681653742 /nfs/dbraw/zinc/65/37/42/681653742.db2.gz MJUXNTHZYVFARL-UHFFFAOYSA-N 1 2 365.499 2.350 20 30 FEEDLO CC(=NNc1ccc(S(N)(=O)=O)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000916241361 685522802 /nfs/dbraw/zinc/52/28/02/685522802.db2.gz XCHCAHYCIYZZOS-UHFFFAOYSA-N 1 2 355.423 2.356 20 30 FEEDLO C#CCCCOc1ccc[nH+]c1NCc1ccc(S(=O)(=O)NC)s1 ZINC000853118249 682378377 /nfs/dbraw/zinc/37/83/77/682378377.db2.gz IORNGCXZXIKMGR-UHFFFAOYSA-N 1 2 365.480 2.456 20 30 FEEDLO CCOCC[NH+]1CCN(C(=O)C#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000790624517 682689315 /nfs/dbraw/zinc/68/93/15/682689315.db2.gz UEABYNYJYNZXRK-UHFFFAOYSA-N 1 2 354.372 2.238 20 30 FEEDLO C=CCN1CC[C@H]([N@H+]2CCN(C(=O)OC(C)(C)C)C[C@H]2C(C)C)C1=O ZINC000859480779 683116807 /nfs/dbraw/zinc/11/68/07/683116807.db2.gz OVIRFRFIIVPVCC-HOTGVXAUSA-N 1 2 351.491 2.351 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+]2CCN(C(=O)OC(C)(C)C)C[C@H]2C(C)C)C1=O ZINC000859480779 683116811 /nfs/dbraw/zinc/11/68/11/683116811.db2.gz OVIRFRFIIVPVCC-HOTGVXAUSA-N 1 2 351.491 2.351 20 30 FEEDLO CC[C@@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)c1cccc(C#N)c1O ZINC000926695291 683162660 /nfs/dbraw/zinc/16/26/60/683162660.db2.gz ZPCVDAWYEVYGDJ-GFCCVEGCSA-N 1 2 350.362 2.282 20 30 FEEDLO Cc1cc(C#N)cc(C)c1C[N@H+](C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000930111608 683680495 /nfs/dbraw/zinc/68/04/95/683680495.db2.gz XRUHHTQBWDQVQT-QZTJIDSGSA-N 1 2 362.495 2.343 20 30 FEEDLO Cc1cc(C#N)cc(C)c1C[N@@H+](C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000930111608 683680497 /nfs/dbraw/zinc/68/04/97/683680497.db2.gz XRUHHTQBWDQVQT-QZTJIDSGSA-N 1 2 362.495 2.343 20 30 FEEDLO C[C@@H]1C[N@H+](CCNC(=O)Nc2cc(C#N)ccc2OC(F)F)CCO1 ZINC000930180155 683689611 /nfs/dbraw/zinc/68/96/11/683689611.db2.gz MCPANVOHDOGXDM-LLVKDONJSA-N 1 2 354.357 2.002 20 30 FEEDLO C[C@@H]1C[N@@H+](CCNC(=O)Nc2cc(C#N)ccc2OC(F)F)CCO1 ZINC000930180155 683689614 /nfs/dbraw/zinc/68/96/14/683689614.db2.gz MCPANVOHDOGXDM-LLVKDONJSA-N 1 2 354.357 2.002 20 30 FEEDLO C#CC1(O)CC[NH+](Cc2nc3sc4c(c3c(N)n2)CC[C@@H](C)C4)CC1 ZINC000931151217 683842318 /nfs/dbraw/zinc/84/23/18/683842318.db2.gz PCXPLPFJWQLWTF-GFCCVEGCSA-N 1 2 356.495 2.358 20 30 FEEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2sc(N3CCCC3)nc2Cl)C1 ZINC000923581185 684308416 /nfs/dbraw/zinc/30/84/16/684308416.db2.gz GVRHFABENDJMFS-LBPRGKRZSA-N 1 2 352.891 2.224 20 30 FEEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2sc(N3CCCC3)nc2Cl)C1 ZINC000923581185 684308420 /nfs/dbraw/zinc/30/84/20/684308420.db2.gz GVRHFABENDJMFS-LBPRGKRZSA-N 1 2 352.891 2.224 20 30 FEEDLO C#CCC1(O)CC[NH+](Cc2nnc(-c3ccc(Br)o3)o2)CC1 ZINC000880477761 687052413 /nfs/dbraw/zinc/05/24/13/687052413.db2.gz NENMSDSFCNLFTL-UHFFFAOYSA-N 1 2 366.215 2.442 20 30 FEEDLO C#CCC1(O)CC[NH+]([C@@H](C)C(=O)Nc2c(C)csc2C(=O)OC)CC1 ZINC000880482918 687052830 /nfs/dbraw/zinc/05/28/30/687052830.db2.gz VNZWQDXFZJVLKX-ZDUSSCGKSA-N 1 2 364.467 2.020 20 30 FEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000884144331 687799680 /nfs/dbraw/zinc/79/96/80/687799680.db2.gz HJZHOOVTQIUUCY-LSDHHAIUSA-N 1 2 368.886 2.403 20 30 FEEDLO N#Cc1csc(C[NH2+][C@@H](Cc2ccc(C(F)(F)F)cc2)C(N)=O)n1 ZINC000901652193 690673078 /nfs/dbraw/zinc/67/30/78/690673078.db2.gz DPCDZCJRRWMKAY-LBPRGKRZSA-N 1 2 354.357 2.220 20 30 FEEDLO C=CCOC(=O)[C@@H]([NH3+])Cc1nc(-c2ccc(C)cc2Br)no1 ZINC000904093333 691002003 /nfs/dbraw/zinc/00/20/03/691002003.db2.gz SNQMKRGRKVBLIR-LBPRGKRZSA-N 1 2 366.215 2.407 20 30 FEEDLO CCOc1ccccc1N1CC[NH+](CC(=O)N[C@](C)(C#N)C2CC2)CC1 ZINC000006982708 539443776 /nfs/dbraw/zinc/44/37/76/539443776.db2.gz HYIXTMZJLUVJMK-HXUWFJFHSA-N 1 2 356.470 2.016 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(CC(=O)Nc3ccc(F)cc3)CC2)cc1 ZINC000019539241 539659227 /nfs/dbraw/zinc/65/92/27/539659227.db2.gz PJRYEJPMCMFLHZ-UHFFFAOYSA-N 1 2 352.413 2.454 20 30 FEEDLO N#Cc1c(F)cccc1N1CC[NH+](CC(=O)NCc2ccccc2)CC1 ZINC000022137758 539692031 /nfs/dbraw/zinc/69/20/31/539692031.db2.gz WNOWKDKNASBUQT-UHFFFAOYSA-N 1 2 352.413 2.136 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)NCc2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000024687347 539738596 /nfs/dbraw/zinc/73/85/96/539738596.db2.gz BYNSHVFHSYFCFE-UHFFFAOYSA-N 1 2 352.419 2.282 20 30 FEEDLO N#Cc1ccnc(N2CC[NH+](CC(=O)NCc3ccc(Cl)cc3)CC2)c1 ZINC000029444185 539853475 /nfs/dbraw/zinc/85/34/75/539853475.db2.gz ADHRSVKRWWYIKJ-UHFFFAOYSA-N 1 2 369.856 2.045 20 30 FEEDLO C[C@H](C(=O)NC1CCC(C)CC1)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000029450713 539854089 /nfs/dbraw/zinc/85/40/89/539854089.db2.gz XGUGSRRDIGBMOA-UPTPFMHGSA-N 1 2 355.486 2.159 20 30 FEEDLO C=CCn1c(C)nnc1SCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000039768621 540003112 /nfs/dbraw/zinc/00/31/12/540003112.db2.gz IJIGHPHYOMGNIP-UHFFFAOYSA-N 1 2 371.510 2.209 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cnc4ccccc4c3O)CC2)cc1 ZINC000046017571 540237071 /nfs/dbraw/zinc/23/70/71/540237071.db2.gz ASJPFKJENHUJRX-UHFFFAOYSA-N 1 2 372.428 2.358 20 30 FEEDLO C[N@H+](CC(=O)Nc1ccccc1SCC(N)=O)Cc1ccc(C#N)cc1 ZINC000046527495 540261307 /nfs/dbraw/zinc/26/13/07/540261307.db2.gz HBFZTMNAQKOKQH-UHFFFAOYSA-N 1 2 368.462 2.206 20 30 FEEDLO C[N@@H+](CC(=O)Nc1ccccc1SCC(N)=O)Cc1ccc(C#N)cc1 ZINC000046527495 540261308 /nfs/dbraw/zinc/26/13/08/540261308.db2.gz HBFZTMNAQKOKQH-UHFFFAOYSA-N 1 2 368.462 2.206 20 30 FEEDLO Cc1c([C@H](C)NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cnn1C ZINC000047007450 540284542 /nfs/dbraw/zinc/28/45/42/540284542.db2.gz NOLXDRDZTQXXEI-HNNXBMFYSA-N 1 2 366.469 2.189 20 30 FEEDLO N#Cc1ccc(CNC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC000047826839 540329684 /nfs/dbraw/zinc/32/96/84/540329684.db2.gz XCUMBGQNQQUIGC-HXUWFJFHSA-N 1 2 364.449 2.258 20 30 FEEDLO N#Cc1ccc(CNC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC000047826839 540329687 /nfs/dbraw/zinc/32/96/87/540329687.db2.gz XCUMBGQNQQUIGC-HXUWFJFHSA-N 1 2 364.449 2.258 20 30 FEEDLO CCN(C[C@H](C)C#N)C(=O)CN1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000051211558 540426273 /nfs/dbraw/zinc/42/62/73/540426273.db2.gz FIXWZDNHHPNUDM-QPGLYAHGSA-N 1 2 354.498 2.326 20 30 FEEDLO CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCN(C/C=C/c2ccccc2)CC1 ZINC000051211558 540426274 /nfs/dbraw/zinc/42/62/74/540426274.db2.gz FIXWZDNHHPNUDM-QPGLYAHGSA-N 1 2 354.498 2.326 20 30 FEEDLO N#Cc1ccsc1C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000052034933 540451921 /nfs/dbraw/zinc/45/19/21/540451921.db2.gz RSHQNSOWYRHLJG-UHFFFAOYSA-N 1 2 358.442 2.311 20 30 FEEDLO C[C@@H](C(=O)N1CCCCCC1)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000052660842 540480469 /nfs/dbraw/zinc/48/04/69/540480469.db2.gz WVIHGWSZPPRSRJ-SFHVURJKSA-N 1 2 354.498 2.467 20 30 FEEDLO C[C@@H](C(=O)N1CCCCCC1)[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000052660842 540480475 /nfs/dbraw/zinc/48/04/75/540480475.db2.gz WVIHGWSZPPRSRJ-SFHVURJKSA-N 1 2 354.498 2.467 20 30 FEEDLO CN(CC(F)(F)F)C(=O)C[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000052801491 540489821 /nfs/dbraw/zinc/48/98/21/540489821.db2.gz DXHROMSNBNKTAI-UHFFFAOYSA-N 1 2 354.376 2.091 20 30 FEEDLO CN(CC(F)(F)F)C(=O)C[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000052801491 540489826 /nfs/dbraw/zinc/48/98/26/540489826.db2.gz DXHROMSNBNKTAI-UHFFFAOYSA-N 1 2 354.376 2.091 20 30 FEEDLO CCCNC(=O)C[N@H+](CCC)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000053366505 540529454 /nfs/dbraw/zinc/52/94/54/540529454.db2.gz AWSUJIXVCFLYIM-UHFFFAOYSA-N 1 2 350.850 2.388 20 30 FEEDLO CCCNC(=O)C[N@@H+](CCC)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000053366505 540529456 /nfs/dbraw/zinc/52/94/56/540529456.db2.gz AWSUJIXVCFLYIM-UHFFFAOYSA-N 1 2 350.850 2.388 20 30 FEEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)c2cc(=O)[nH]c3cc(F)ccc32)c1C#N ZINC000536307552 540577574 /nfs/dbraw/zinc/57/75/74/540577574.db2.gz LBDPRZAZNBVBTF-UHFFFAOYSA-N 1 2 368.372 2.079 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCCN(Cc2ccc(F)cc2)CC1 ZINC000055121137 540629794 /nfs/dbraw/zinc/62/97/94/540629794.db2.gz VYLZMQFKDIZKNH-HXUWFJFHSA-N 1 2 360.477 2.388 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCCN(Cc2ccc(F)cc2)CC1 ZINC000055121137 540629798 /nfs/dbraw/zinc/62/97/98/540629798.db2.gz VYLZMQFKDIZKNH-HXUWFJFHSA-N 1 2 360.477 2.388 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(CC(=O)Nc3cccc(C#N)c3)CC2)cc1 ZINC000057883326 540821168 /nfs/dbraw/zinc/82/11/68/540821168.db2.gz CGRUQJRHJJMKKD-UHFFFAOYSA-N 1 2 359.433 2.186 20 30 FEEDLO C[C@H]1C(=O)NCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000060377349 541108698 /nfs/dbraw/zinc/10/86/98/541108698.db2.gz DDKBHKCZSZJXGM-LBPRGKRZSA-N 1 2 360.483 2.038 20 30 FEEDLO C[C@H]1C(=O)NCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000060377349 541108704 /nfs/dbraw/zinc/10/87/04/541108704.db2.gz DDKBHKCZSZJXGM-LBPRGKRZSA-N 1 2 360.483 2.038 20 30 FEEDLO Cc1ccc(C)c(OCCC(=O)N(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000060634058 541119857 /nfs/dbraw/zinc/11/98/57/541119857.db2.gz JSFDAMOSCXQIOQ-UHFFFAOYSA-N 1 2 359.470 2.147 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)CCSc1ccc(F)cc1 ZINC000060855784 541122603 /nfs/dbraw/zinc/12/26/03/541122603.db2.gz OWDBDICHKYZQMI-UHFFFAOYSA-N 1 2 365.474 2.382 20 30 FEEDLO C=CC[N@@H+](CC(=O)N[C@H](C)C(=O)N1CCCCC1)Cc1cccc(C#N)c1 ZINC000063300052 541163796 /nfs/dbraw/zinc/16/37/96/541163796.db2.gz KKVASDGRHAXVJV-QGZVFWFLSA-N 1 2 368.481 2.063 20 30 FEEDLO C=CC[N@H+](CC(=O)N[C@H](C)C(=O)N1CCCCC1)Cc1cccc(C#N)c1 ZINC000063300052 541163799 /nfs/dbraw/zinc/16/37/99/541163799.db2.gz KKVASDGRHAXVJV-QGZVFWFLSA-N 1 2 368.481 2.063 20 30 FEEDLO C[C@@H](OC[C@H]1CCCCO1)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000066308127 541299546 /nfs/dbraw/zinc/29/95/46/541299546.db2.gz JHALLKAKLSMDIO-YLJYHZDGSA-N 1 2 371.481 2.177 20 30 FEEDLO C=CCOc1cccc(NC(=O)C(=O)NCCc2cn3ccccc3[nH+]2)c1 ZINC000067327940 541444744 /nfs/dbraw/zinc/44/47/44/541444744.db2.gz ZAJUHMCWVQSYCO-UHFFFAOYSA-N 1 2 364.405 2.197 20 30 FEEDLO C=CC[N@@H+](CCC(=O)Nc1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000067400068 541457331 /nfs/dbraw/zinc/45/73/31/541457331.db2.gz BGEXPXFNLICFKS-OAHLLOKOSA-N 1 2 356.875 2.344 20 30 FEEDLO C=CC[N@H+](CCC(=O)Nc1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000067400068 541457334 /nfs/dbraw/zinc/45/73/34/541457334.db2.gz BGEXPXFNLICFKS-OAHLLOKOSA-N 1 2 356.875 2.344 20 30 FEEDLO C#CCC[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)CC1 ZINC000068445526 541593349 /nfs/dbraw/zinc/59/33/49/541593349.db2.gz PZAZBSYFMUMHEF-UHFFFAOYSA-N 1 2 370.453 2.366 20 30 FEEDLO CC(C)c1ccc(OCC(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1 ZINC000070920652 541752001 /nfs/dbraw/zinc/75/20/01/541752001.db2.gz OHSZPRRPRWXWQZ-UHFFFAOYSA-N 1 2 359.470 2.263 20 30 FEEDLO Cc1nn(C)c(C)c1NC(=O)C[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000071952223 541776604 /nfs/dbraw/zinc/77/66/04/541776604.db2.gz SJAYGHCLNNGMFG-UHFFFAOYSA-N 1 2 366.469 2.059 20 30 FEEDLO Cc1nn(C)c(C)c1NC(=O)C[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000071952223 541776607 /nfs/dbraw/zinc/77/66/07/541776607.db2.gz SJAYGHCLNNGMFG-UHFFFAOYSA-N 1 2 366.469 2.059 20 30 FEEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)c1C#N ZINC000544590779 541792402 /nfs/dbraw/zinc/79/24/02/541792402.db2.gz TUMSHPMBVPVKJA-SNVBAGLBSA-N 1 2 374.376 2.223 20 30 FEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCc2c(cccc2N2CCOC2=O)C1 ZINC000072774696 541863101 /nfs/dbraw/zinc/86/31/01/541863101.db2.gz FZTCQFOUOMLDQD-OAHLLOKOSA-N 1 2 370.453 2.009 20 30 FEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCc2c(cccc2N2CCOC2=O)C1 ZINC000072774696 541863103 /nfs/dbraw/zinc/86/31/03/541863103.db2.gz FZTCQFOUOMLDQD-OAHLLOKOSA-N 1 2 370.453 2.009 20 30 FEEDLO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCNC(=O)[C@@H]1c1cccs1 ZINC000072799214 541867317 /nfs/dbraw/zinc/86/73/17/541867317.db2.gz USHAKFBGINKTSN-KRWDZBQOSA-N 1 2 354.435 2.121 20 30 FEEDLO N#Cc1ccccc1NC(=O)CC[N@H+]1CCNC(=O)[C@@H]1c1cccs1 ZINC000072799214 541867321 /nfs/dbraw/zinc/86/73/21/541867321.db2.gz USHAKFBGINKTSN-KRWDZBQOSA-N 1 2 354.435 2.121 20 30 FEEDLO CC(C)[N@@H+](CC(=O)Nc1ccc(F)cc1)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000072956698 541896650 /nfs/dbraw/zinc/89/66/50/541896650.db2.gz CAFPMKWTMSHYCE-LJQANCHMSA-N 1 2 360.433 2.283 20 30 FEEDLO CC(C)[N@H+](CC(=O)Nc1ccc(F)cc1)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000072956698 541896647 /nfs/dbraw/zinc/89/66/47/541896647.db2.gz CAFPMKWTMSHYCE-LJQANCHMSA-N 1 2 360.433 2.283 20 30 FEEDLO CC(=O)N1CCC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)CC1 ZINC000073647086 541980486 /nfs/dbraw/zinc/98/04/86/541980486.db2.gz QILGPEJOCNOZHA-KRWDZBQOSA-N 1 2 356.470 2.184 20 30 FEEDLO CC(=O)N1CCC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)CC1 ZINC000073647086 541980489 /nfs/dbraw/zinc/98/04/89/541980489.db2.gz QILGPEJOCNOZHA-KRWDZBQOSA-N 1 2 356.470 2.184 20 30 FEEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+]2CC[C@H](O)C2)c1C#N ZINC000074313411 542067645 /nfs/dbraw/zinc/06/76/45/542067645.db2.gz MARARUISSXPIRC-KRWDZBQOSA-N 1 2 352.438 2.030 20 30 FEEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+]2CC[C@H](O)C2)c1C#N ZINC000074313411 542067650 /nfs/dbraw/zinc/06/76/50/542067650.db2.gz MARARUISSXPIRC-KRWDZBQOSA-N 1 2 352.438 2.030 20 30 FEEDLO CO[C@H]1CCCC[C@H]1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000075098551 542152288 /nfs/dbraw/zinc/15/22/88/542152288.db2.gz YAESIGIJXQKZAH-MOPGFXCFSA-N 1 2 356.470 2.343 20 30 FEEDLO Cc1cc(C[NH+]2CCN(Cc3nnc(-c4ccc(C#N)cc4)o3)CC2)on1 ZINC000075587223 542190971 /nfs/dbraw/zinc/19/09/71/542190971.db2.gz FRFVDEIZEJPNEQ-UHFFFAOYSA-N 1 2 364.409 2.223 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)N2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000015545114 211130768 /nfs/dbraw/zinc/13/07/68/211130768.db2.gz MFRPWEPWPOBJTR-UHFFFAOYSA-N 1 2 355.463 2.107 20 30 FEEDLO C[C@H](c1nc(-c2cccs2)no1)N1CC[NH+](CCO[C@@H](C)C#N)CC1 ZINC000801919465 674155158 /nfs/dbraw/zinc/15/51/58/674155158.db2.gz FWORCDXNDVJDOI-UONOGXRCSA-N 1 2 361.471 2.405 20 30 FEEDLO CC[NH+]1CCN(C(=O)[C@@H](C)Sc2nc3c(c(C)c2C#N)CCC3)CC1 ZINC000078873954 542485505 /nfs/dbraw/zinc/48/55/05/542485505.db2.gz MAYIDNDTXWETTG-CQSZACIVSA-N 1 2 358.511 2.395 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Nc1cccc(OC(F)F)c1 ZINC000079814454 542543669 /nfs/dbraw/zinc/54/36/69/542543669.db2.gz JJUPEPONYKKJEF-UHFFFAOYSA-N 1 2 368.384 2.368 20 30 FEEDLO N#CCCN(CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)CC1CC1 ZINC000081060408 542628341 /nfs/dbraw/zinc/62/83/41/542628341.db2.gz YOVXMUCIAHNJIG-UHFFFAOYSA-N 1 2 356.470 2.083 20 30 FEEDLO C=CCOc1ccc(C(=O)N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)cc1 ZINC000088305454 542750554 /nfs/dbraw/zinc/75/05/54/542750554.db2.gz SJWFLPFXJGQTGL-QGZVFWFLSA-N 1 2 371.481 2.020 20 30 FEEDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)Cc2cccc(OCC#N)c2)C1 ZINC000089856288 542771680 /nfs/dbraw/zinc/77/16/80/542771680.db2.gz JTOKXOLQYLNMBU-QGZVFWFLSA-N 1 2 352.438 2.346 20 30 FEEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cccc2c1OCCCO2 ZINC000091936508 542833208 /nfs/dbraw/zinc/83/32/08/542833208.db2.gz RREGEEOCDTZGNJ-OAHLLOKOSA-N 1 2 365.437 2.220 20 30 FEEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cccc2c1OCCCO2 ZINC000091936508 542833209 /nfs/dbraw/zinc/83/32/09/542833209.db2.gz RREGEEOCDTZGNJ-OAHLLOKOSA-N 1 2 365.437 2.220 20 30 FEEDLO COC(=O)[C@@H]1C[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C[C@@H](C)O1 ZINC000092013074 542838147 /nfs/dbraw/zinc/83/81/47/542838147.db2.gz LUJCUHBWKHGYQO-QAPCUYQASA-N 1 2 368.437 2.226 20 30 FEEDLO COC(=O)[C@@H]1C[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C[C@@H](C)O1 ZINC000092013074 542838150 /nfs/dbraw/zinc/83/81/50/542838150.db2.gz LUJCUHBWKHGYQO-QAPCUYQASA-N 1 2 368.437 2.226 20 30 FEEDLO C[C@@H](C(=O)NC1CCCC1)N1CC[NH+](CCOc2ccccc2C#N)CC1 ZINC000103491596 543111526 /nfs/dbraw/zinc/11/15/26/543111526.db2.gz NIHQXTYFBXFZQS-KRWDZBQOSA-N 1 2 370.497 2.002 20 30 FEEDLO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(CCOc2ccccc2C#N)CC1 ZINC000103491596 543111529 /nfs/dbraw/zinc/11/15/29/543111529.db2.gz NIHQXTYFBXFZQS-KRWDZBQOSA-N 1 2 370.497 2.002 20 30 FEEDLO CC(=O)[C@@H](NC(=O)C[NH+]1CCC(Oc2cccc(C#N)c2)CC1)C(C)C ZINC000104713618 543138260 /nfs/dbraw/zinc/13/82/60/543138260.db2.gz ICLTVOUPBISJCI-FQEVSTJZSA-N 1 2 357.454 2.131 20 30 FEEDLO COCC[N@H+](Cc1csc(CC(=O)N(C)C)n1)Cc1ccc(C#N)cc1 ZINC000104949252 543152149 /nfs/dbraw/zinc/15/21/49/543152149.db2.gz QWTVHQJQHPARND-UHFFFAOYSA-N 1 2 372.494 2.294 20 30 FEEDLO COCC[N@@H+](Cc1csc(CC(=O)N(C)C)n1)Cc1ccc(C#N)cc1 ZINC000104949252 543152150 /nfs/dbraw/zinc/15/21/50/543152150.db2.gz QWTVHQJQHPARND-UHFFFAOYSA-N 1 2 372.494 2.294 20 30 FEEDLO C[C@@H](NC(=O)Nc1cc(C#N)ccc1OC(F)F)[C@H](C)[NH+]1CCOCC1 ZINC000105036512 543155745 /nfs/dbraw/zinc/15/57/45/543155745.db2.gz MFEWXTJFNSLGSU-NEPJUHHUSA-N 1 2 368.384 2.390 20 30 FEEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000110956621 543376057 /nfs/dbraw/zinc/37/60/57/543376057.db2.gz AUGRMPREGCFMNR-SJLPKXTDSA-N 1 2 357.454 2.039 20 30 FEEDLO N#CCSc1ccccc1NC(=O)C[NH+]1CCC(C2OCCO2)CC1 ZINC000110990207 543378055 /nfs/dbraw/zinc/37/80/55/543378055.db2.gz ZDGOIFXGIOASKS-UHFFFAOYSA-N 1 2 361.467 2.326 20 30 FEEDLO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)Nc1ccc(C#N)cc1 ZINC000111930840 543426411 /nfs/dbraw/zinc/42/64/11/543426411.db2.gz ZYDSWGNZUAGUQC-MRXNPFEDSA-N 1 2 362.433 2.230 20 30 FEEDLO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)Nc1ccc(C#N)cc1 ZINC000111930840 543426413 /nfs/dbraw/zinc/42/64/13/543426413.db2.gz ZYDSWGNZUAGUQC-MRXNPFEDSA-N 1 2 362.433 2.230 20 30 FEEDLO C=CCNC(=O)c1ccc(N2CCC[N@H+](Cc3cscn3)CC2)nc1 ZINC000112555501 543452184 /nfs/dbraw/zinc/45/21/84/543452184.db2.gz QYZFCWHPPAMTLD-UHFFFAOYSA-N 1 2 357.483 2.166 20 30 FEEDLO C=CCNC(=O)c1ccc(N2CCC[N@@H+](Cc3cscn3)CC2)nc1 ZINC000112555501 543452186 /nfs/dbraw/zinc/45/21/86/543452186.db2.gz QYZFCWHPPAMTLD-UHFFFAOYSA-N 1 2 357.483 2.166 20 30 FEEDLO C=CCC[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000120970599 543687034 /nfs/dbraw/zinc/68/70/34/543687034.db2.gz ZZHCHOJCPZLQHD-LJQANCHMSA-N 1 2 374.506 2.473 20 30 FEEDLO C=CCC[C@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000120970425 543687467 /nfs/dbraw/zinc/68/74/67/543687467.db2.gz ZZHCHOJCPZLQHD-IBGZPJMESA-N 1 2 374.506 2.473 20 30 FEEDLO C=CC[N@@H+](C)CC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000121517803 543695649 /nfs/dbraw/zinc/69/56/49/543695649.db2.gz QGLNKDRZSOAZEU-UHFFFAOYSA-N 1 2 365.499 2.308 20 30 FEEDLO C=CC[N@H+](C)CC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000121517803 543695652 /nfs/dbraw/zinc/69/56/52/543695652.db2.gz QGLNKDRZSOAZEU-UHFFFAOYSA-N 1 2 365.499 2.308 20 30 FEEDLO C=CCCS(=O)(=O)N[C@H](CC)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000121634912 543697595 /nfs/dbraw/zinc/69/75/95/543697595.db2.gz ZOLOAHSOKRUBDY-QZTJIDSGSA-N 1 2 352.500 2.162 20 30 FEEDLO C=CCCS(=O)(=O)N[C@H](CC)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000121634912 543697597 /nfs/dbraw/zinc/69/75/97/543697597.db2.gz ZOLOAHSOKRUBDY-QZTJIDSGSA-N 1 2 352.500 2.162 20 30 FEEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)CNc1cccc(C#N)c1 ZINC000123142475 543745152 /nfs/dbraw/zinc/74/51/52/543745152.db2.gz APPJXHRBNXBCQF-UHFFFAOYSA-N 1 2 351.410 2.149 20 30 FEEDLO N#Cc1ccc(-c2nnc(CN3CC[NH+](Cc4ccncc4)CC3)o2)cc1 ZINC000124527025 543827999 /nfs/dbraw/zinc/82/79/99/543827999.db2.gz NYJHJGINXDWRJP-UHFFFAOYSA-N 1 2 360.421 2.321 20 30 FEEDLO C[NH+]1CCN(C(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CC1 ZINC000124644554 543834788 /nfs/dbraw/zinc/83/47/88/543834788.db2.gz IZJLRXPHBIPGRG-UHFFFAOYSA-N 1 2 364.405 2.063 20 30 FEEDLO C=CCOc1ccc(CN2CC[NH+]([C@H](C)C(=O)NC3CC3)CC2)cc1OC ZINC000126312658 543929599 /nfs/dbraw/zinc/92/95/99/543929599.db2.gz FSVQDVFJOABIIN-MRXNPFEDSA-N 1 2 373.497 2.045 20 30 FEEDLO C=CCOc1ccc(C[NH+]2CCN([C@H](C)C(=O)NC3CC3)CC2)cc1OC ZINC000126312658 543929602 /nfs/dbraw/zinc/92/96/02/543929602.db2.gz FSVQDVFJOABIIN-MRXNPFEDSA-N 1 2 373.497 2.045 20 30 FEEDLO N#Cc1ccc([C@H](O)C[NH+]2CCN(C(=O)Cc3ccccc3F)CC2)cc1 ZINC000127309110 543984531 /nfs/dbraw/zinc/98/45/31/543984531.db2.gz GSFHVKBWRMIDTH-HXUWFJFHSA-N 1 2 367.424 2.118 20 30 FEEDLO C=CCCOCCNC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(OC)cc1 ZINC000127394105 543990316 /nfs/dbraw/zinc/99/03/16/543990316.db2.gz ADPDBSXKIUXHII-QGZVFWFLSA-N 1 2 358.442 2.410 20 30 FEEDLO CC(C)[C@H](C)NC(=O)C[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000130858631 544168059 /nfs/dbraw/zinc/16/80/59/544168059.db2.gz AFTKKMXYRQMVJA-INIZCTEOSA-N 1 2 365.481 2.389 20 30 FEEDLO Cn1cc[nH+]c1-c1cccc(NC(=O)C(=O)N(CCC#N)CC2CC2)c1 ZINC000132588912 544236917 /nfs/dbraw/zinc/23/69/17/544236917.db2.gz KLTZECZCUAXFKC-UHFFFAOYSA-N 1 2 351.410 2.178 20 30 FEEDLO C=CCNC(=O)NC(=O)C[NH2+][C@@H](c1cccc(Cl)c1)c1ccccn1 ZINC000133770868 544282999 /nfs/dbraw/zinc/28/29/99/544282999.db2.gz OLEZFOWMQLOGML-KRWDZBQOSA-N 1 2 358.829 2.426 20 30 FEEDLO COc1ccc(C[NH+]2CCN(C(=O)c3cccc(O)c3)CC2)cc1C#N ZINC000135197199 544338142 /nfs/dbraw/zinc/33/81/42/544338142.db2.gz BMGIILFRMXIFKB-UHFFFAOYSA-N 1 2 351.406 2.230 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCCN(C(N)=O)CC2)c1 ZINC000153600655 544796347 /nfs/dbraw/zinc/79/63/47/544796347.db2.gz JADDFIIMNRDXHN-KRWDZBQOSA-N 1 2 371.485 2.025 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CCCN(C(N)=O)CC2)c1 ZINC000153600655 544796350 /nfs/dbraw/zinc/79/63/50/544796350.db2.gz JADDFIIMNRDXHN-KRWDZBQOSA-N 1 2 371.485 2.025 20 30 FEEDLO COc1ccc(OC(F)F)c(CN(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000154754150 544944864 /nfs/dbraw/zinc/94/48/64/544944864.db2.gz KAUPKVVEUVPNNJ-UHFFFAOYSA-N 1 2 369.412 2.344 20 30 FEEDLO C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)c1c[nH]c(C#N)c1 ZINC000181279718 327723224 /nfs/dbraw/zinc/72/32/24/327723224.db2.gz YITWDGIMFBYPOG-MRXNPFEDSA-N 1 2 352.438 2.249 20 30 FEEDLO COc1c(C)c[nH+]c(CN(C)C(=O)C(=O)Nc2ccc(F)c(C#N)c2)c1C ZINC000182721250 327786311 /nfs/dbraw/zinc/78/63/11/327786311.db2.gz LBKCTAIRYABPBO-UHFFFAOYSA-N 1 2 370.384 2.315 20 30 FEEDLO COCC(=O)N1CCc2c1cccc2NCc1c[nH+]c2ccc(C#N)cn12 ZINC000184122273 327852139 /nfs/dbraw/zinc/85/21/39/327852139.db2.gz NUBFLEGMNYUIAR-UHFFFAOYSA-N 1 2 361.405 2.354 20 30 FEEDLO Cc1cccc(S(=O)(=O)N2CCCN(c3cccc[nH+]3)CC2)c1C#N ZINC000186106206 327946875 /nfs/dbraw/zinc/94/68/75/327946875.db2.gz CKRZHFHJJPNDKL-UHFFFAOYSA-N 1 2 356.451 2.163 20 30 FEEDLO COC(=O)c1cn(C2CC[NH+](Cc3ccc(Cl)cc3C#N)CC2)nn1 ZINC000187549788 328032913 /nfs/dbraw/zinc/03/29/13/328032913.db2.gz CDJZBOQWWOZVJV-UHFFFAOYSA-N 1 2 359.817 2.427 20 30 FEEDLO N#Cc1nc(-c2ccco2)oc1N1CC[NH+](C[C@H](O)CC(F)(F)F)CC1 ZINC000189593088 328157080 /nfs/dbraw/zinc/15/70/80/328157080.db2.gz XDWBRKGFVJPEQR-LLVKDONJSA-N 1 2 370.331 2.242 20 30 FEEDLO CC(C)N(C)c1ccc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@H]2C)cn1 ZINC000191441678 328265890 /nfs/dbraw/zinc/26/58/90/328265890.db2.gz WNMSNTABGRRGQV-MRXNPFEDSA-N 1 2 365.485 2.299 20 30 FEEDLO CC(C)N(C)c1ccc(C[N@H+]2CCN(c3nccnc3C#N)C[C@H]2C)cn1 ZINC000191441678 328265892 /nfs/dbraw/zinc/26/58/92/328265892.db2.gz WNMSNTABGRRGQV-MRXNPFEDSA-N 1 2 365.485 2.299 20 30 FEEDLO C[N@H+](CC(=O)N1CCN(Cc2ccccc2)CC1)Cc1cccc(C#N)c1 ZINC000015368656 324382622 /nfs/dbraw/zinc/38/26/22/324382622.db2.gz AOPJVJKZQFUHTN-UHFFFAOYSA-N 1 2 362.477 2.334 20 30 FEEDLO C[N@@H+](CC(=O)N1CCN(Cc2ccccc2)CC1)Cc1cccc(C#N)c1 ZINC000015368656 324382625 /nfs/dbraw/zinc/38/26/25/324382625.db2.gz AOPJVJKZQFUHTN-UHFFFAOYSA-N 1 2 362.477 2.334 20 30 FEEDLO N#Cc1ccsc1N1CC[C@H]([NH+]2CCC(C(=O)N3CCCC3)CC2)C1=O ZINC000083132874 325213593 /nfs/dbraw/zinc/21/35/93/325213593.db2.gz ODHIPCVZUMWMBM-INIZCTEOSA-N 1 2 372.494 2.059 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000120385672 326254862 /nfs/dbraw/zinc/25/48/62/326254862.db2.gz SWFKRTWWLUCWRX-UHFFFAOYSA-N 1 2 357.435 2.191 20 30 FEEDLO C[C@@H](c1cccnc1)[NH+]1CCN(CC(=O)Nc2sccc2C#N)CC1 ZINC000120413660 326256948 /nfs/dbraw/zinc/25/69/48/326256948.db2.gz ZPNSNFYYJKHUGL-AWEZNQCLSA-N 1 2 355.467 2.332 20 30 FEEDLO COc1cc(C#N)ccc1C[N@H+](C)CCNS(=O)(=O)c1ccc(C)cc1 ZINC000121088054 326312291 /nfs/dbraw/zinc/31/22/91/326312291.db2.gz CYLZVTJPHGRDAT-UHFFFAOYSA-N 1 2 373.478 2.286 20 30 FEEDLO COc1cc(C#N)ccc1C[N@@H+](C)CCNS(=O)(=O)c1ccc(C)cc1 ZINC000121088054 326312292 /nfs/dbraw/zinc/31/22/92/326312292.db2.gz CYLZVTJPHGRDAT-UHFFFAOYSA-N 1 2 373.478 2.286 20 30 FEEDLO N#Cc1ccc(C(=O)NCC[NH+]2CCN(c3cccc(Cl)c3)CC2)cn1 ZINC000161520240 327001634 /nfs/dbraw/zinc/00/16/34/327001634.db2.gz FOCBWTAQEXQQHU-UHFFFAOYSA-N 1 2 369.856 2.159 20 30 FEEDLO CC(C)(C)OC1CC[NH+]([C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 ZINC000164735883 327073840 /nfs/dbraw/zinc/07/38/40/327073840.db2.gz GDVKFVNPOFJABC-QGZVFWFLSA-N 1 2 355.438 2.470 20 30 FEEDLO N#Cc1cc(S(=O)(=O)N[C@@H]2CCCN(c3cccc[nH+]3)C2)ccc1F ZINC000166124172 327080621 /nfs/dbraw/zinc/08/06/21/327080621.db2.gz YJXZJFWEPHBYRR-CQSZACIVSA-N 1 2 360.414 2.040 20 30 FEEDLO N#Cc1ccc(N2CC[NH+](C[C@@H]3CN(c4ccccc4)C(=O)O3)CC2)nc1 ZINC000172759944 327217403 /nfs/dbraw/zinc/21/74/03/327217403.db2.gz YVVPXRALTYKGJL-GOSISDBHSA-N 1 2 363.421 2.101 20 30 FEEDLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000174092888 327305898 /nfs/dbraw/zinc/30/58/98/327305898.db2.gz ZUPGXZDCLBNZLA-LBPRGKRZSA-N 1 2 369.391 2.334 20 30 FEEDLO Cc1cccc(NC(=O)C(=O)N2CC[NH+](Cc3ccccc3)CC2)c1C#N ZINC000174674379 327342854 /nfs/dbraw/zinc/34/28/54/327342854.db2.gz JGYHDRCOCCHZSJ-UHFFFAOYSA-N 1 2 362.433 2.150 20 30 FEEDLO CC(C)N1CC[C@H]([NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)C1=O ZINC000175142914 327376298 /nfs/dbraw/zinc/37/62/98/327376298.db2.gz MBSZACWBRPLLLV-IBGZPJMESA-N 1 2 363.465 2.238 20 30 FEEDLO N#Cc1cc(F)ccc1NC(=O)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000175968709 327425236 /nfs/dbraw/zinc/42/52/36/327425236.db2.gz SAXIBOXQRUNQIJ-UHFFFAOYSA-N 1 2 363.352 2.138 20 30 FEEDLO Cc1cc(NC(=O)C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)n(C)n1 ZINC000264093048 328991416 /nfs/dbraw/zinc/99/14/16/328991416.db2.gz GUPBQNAMJMSLMT-UHFFFAOYSA-N 1 2 353.426 2.082 20 30 FEEDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)COc2ccc(C#N)cc2)CC1 ZINC000265221212 329103956 /nfs/dbraw/zinc/10/39/56/329103956.db2.gz GKODCNYOSGIZHY-MRXNPFEDSA-N 1 2 350.422 2.237 20 30 FEEDLO CC(C)(CO)CCCNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000267925235 329368921 /nfs/dbraw/zinc/36/89/21/329368921.db2.gz KLZBRJRFPSKSGO-UHFFFAOYSA-N 1 2 358.486 2.184 20 30 FEEDLO Cc1cc(N2CCN(C(=O)c3ccc(C#N)n3C)CC2)nc(C(C)C)[nH+]1 ZINC000448612907 330278720 /nfs/dbraw/zinc/27/87/20/330278720.db2.gz KZXKAOJFNFLPMV-UHFFFAOYSA-N 1 2 352.442 2.081 20 30 FEEDLO [O-]C(NCCn1cccn1)=[NH+]C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000328638145 527586014 /nfs/dbraw/zinc/58/60/14/527586014.db2.gz OYSJJFMIPHEQRG-KBPBESRZSA-N 1 2 351.451 2.061 20 30 FEEDLO [O-]C(NCCn1cccn1)=[NH+]C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000328638145 527586021 /nfs/dbraw/zinc/58/60/21/527586021.db2.gz OYSJJFMIPHEQRG-KBPBESRZSA-N 1 2 351.451 2.061 20 30 FEEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1C[C@H](O)c1ccccc1Cl ZINC000155659067 545555312 /nfs/dbraw/zinc/55/53/12/545555312.db2.gz VMOVAPMLRDJVFC-GUYCJALGSA-N 1 2 357.845 2.246 20 30 FEEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1C[C@H](O)c1ccccc1Cl ZINC000155659067 545555316 /nfs/dbraw/zinc/55/53/16/545555316.db2.gz VMOVAPMLRDJVFC-GUYCJALGSA-N 1 2 357.845 2.246 20 30 FEEDLO Cc1cccc(S(=O)(=O)NC2CCN(c3cccc[nH+]3)CC2)c1C#N ZINC000156495284 545631315 /nfs/dbraw/zinc/63/13/15/545631315.db2.gz ZHDOKOHLUPFPDL-UHFFFAOYSA-N 1 2 356.451 2.209 20 30 FEEDLO Cc1nc(N2CC[NH+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC2)sc1C ZINC000157466919 545745449 /nfs/dbraw/zinc/74/54/49/545745449.db2.gz LRIZPSBTLFCYQD-RDTXWAMCSA-N 1 2 363.531 2.325 20 30 FEEDLO N#CCc1ccc(OC[C@H](O)C[NH+]2CC(Oc3ccc(C#N)cc3)C2)cc1 ZINC000158553688 545871016 /nfs/dbraw/zinc/87/10/16/545871016.db2.gz LGXJKHSWNJYZAB-GOSISDBHSA-N 1 2 363.417 2.127 20 30 FEEDLO CCN1CC[NH+]([C@H]2CCN(C(=O)N[C@@H](CCC#N)c3ccccc3)C2)CC1 ZINC000160665362 546061866 /nfs/dbraw/zinc/06/18/66/546061866.db2.gz PNUXIKAWOSIEOR-PMACEKPBSA-N 1 2 369.513 2.453 20 30 FEEDLO O=C(C[NH+]1CCN(CC#Cc2cccc(Cl)c2)CC1)N1CCCCC1 ZINC000161093802 546099359 /nfs/dbraw/zinc/09/93/59/546099359.db2.gz NBQIRHNPRPWUEC-UHFFFAOYSA-N 1 2 359.901 2.322 20 30 FEEDLO CC(C)(C)n1cc(C#N)cc1NC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000172118306 546237315 /nfs/dbraw/zinc/23/73/15/546237315.db2.gz NLCOSTZXLGQGJU-UHFFFAOYSA-N 1 2 372.473 2.195 20 30 FEEDLO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000479790334 561197200 /nfs/dbraw/zinc/19/72/00/561197200.db2.gz VGMVEJIXBLUQIJ-KRWDZBQOSA-N 1 2 363.506 2.272 20 30 FEEDLO Cc1nc(CC(N)=[NH+]O[C@H](C)C(=O)N[C@H]2CCOc3ccccc32)cs1 ZINC000174113609 546291768 /nfs/dbraw/zinc/29/17/68/546291768.db2.gz HVACCWLVDWTECD-ABAIWWIYSA-N 1 2 374.466 2.311 20 30 FEEDLO Cn1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CNc2ccc([N+](=O)[O-])cc2C#N)cn1 ZINC000480210782 561204915 /nfs/dbraw/zinc/20/49/15/561204915.db2.gz UVLZQXAGACPFTG-HOCLYGCPSA-N 1 2 358.377 2.224 20 30 FEEDLO Cn1cc(C[N@H+]2C[C@@H](F)C[C@H]2CNc2ccc([N+](=O)[O-])cc2C#N)cn1 ZINC000480210782 561204916 /nfs/dbraw/zinc/20/49/16/561204916.db2.gz UVLZQXAGACPFTG-HOCLYGCPSA-N 1 2 358.377 2.224 20 30 FEEDLO COc1ccc(OCC[N@H+](C)CCS(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000176195772 546418596 /nfs/dbraw/zinc/41/85/96/546418596.db2.gz JBBIKBPMRODPDD-UHFFFAOYSA-N 1 2 374.462 2.351 20 30 FEEDLO COc1ccc(OCC[N@@H+](C)CCS(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000176195772 546418599 /nfs/dbraw/zinc/41/85/99/546418599.db2.gz JBBIKBPMRODPDD-UHFFFAOYSA-N 1 2 374.462 2.351 20 30 FEEDLO N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NCC[N@H+]1CC=CCC1 ZINC000480776378 561216600 /nfs/dbraw/zinc/21/66/00/561216600.db2.gz FLQIJTSBYQXHHO-UHFFFAOYSA-N 1 2 359.373 2.117 20 30 FEEDLO N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NCC[N@@H+]1CC=CCC1 ZINC000480776378 561216601 /nfs/dbraw/zinc/21/66/01/561216601.db2.gz FLQIJTSBYQXHHO-UHFFFAOYSA-N 1 2 359.373 2.117 20 30 FEEDLO Cc1[nH+]c2cc(C)ccn2c1CN1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC000177474390 546626201 /nfs/dbraw/zinc/62/62/01/546626201.db2.gz MYKORMGLNCYAQS-UHFFFAOYSA-N 1 2 362.437 2.109 20 30 FEEDLO Cc1nc2cc(C)ccn2c1C[NH+]1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC000177474390 546626208 /nfs/dbraw/zinc/62/62/08/546626208.db2.gz MYKORMGLNCYAQS-UHFFFAOYSA-N 1 2 362.437 2.109 20 30 FEEDLO Cc1nc(CC(N)=[NH+]OCC(=O)N2CCC[C@@H]3CCCC[C@H]32)cs1 ZINC000177560532 546643665 /nfs/dbraw/zinc/64/36/65/546643665.db2.gz RDHZVJNRPZNKJO-DZGCQCFKSA-N 1 2 350.488 2.464 20 30 FEEDLO Cc1c(C#N)cccc1NC(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000178556868 546811917 /nfs/dbraw/zinc/81/19/17/546811917.db2.gz VLXLWOYIMRSMFP-INIZCTEOSA-N 1 2 369.469 2.027 20 30 FEEDLO N#Cc1c(F)cccc1N1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000178572269 546813971 /nfs/dbraw/zinc/81/39/71/546813971.db2.gz APFRHTPZILIHQO-LJQANCHMSA-N 1 2 370.384 2.461 20 30 FEEDLO CN(C)c1[nH+]cccc1N(C)S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000180107020 547052296 /nfs/dbraw/zinc/05/22/96/547052296.db2.gz GVSZUZWWOYGEPF-UHFFFAOYSA-N 1 2 350.831 2.498 20 30 FEEDLO CCOC(=O)CC[N@H+](CC(=O)Nc1cccc(C#N)c1)Cc1cccnc1 ZINC000180593460 547137604 /nfs/dbraw/zinc/13/76/04/547137604.db2.gz SBFGOYLDRNDFDZ-UHFFFAOYSA-N 1 2 366.421 2.347 20 30 FEEDLO CCOC(=O)CC[N@@H+](CC(=O)Nc1cccc(C#N)c1)Cc1cccnc1 ZINC000180593460 547137609 /nfs/dbraw/zinc/13/76/09/547137609.db2.gz SBFGOYLDRNDFDZ-UHFFFAOYSA-N 1 2 366.421 2.347 20 30 FEEDLO CCCc1csc(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)n1 ZINC000180653176 547151009 /nfs/dbraw/zinc/15/10/09/547151009.db2.gz FROHTKFOKKPANV-UHFFFAOYSA-N 1 2 351.476 2.175 20 30 FEEDLO C=CCCC[C@@H](C)NC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000180944120 547216235 /nfs/dbraw/zinc/21/62/35/547216235.db2.gz JVZXFAMRAVPVSO-QGZVFWFLSA-N 1 2 372.513 2.234 20 30 FEEDLO N#Cc1ccc(NC(=O)C[NH+]2CCC(O[C@H]3CCOC3)CC2)cc1Cl ZINC000483047268 561265916 /nfs/dbraw/zinc/26/59/16/561265916.db2.gz KCGYUDAMQPTNOP-INIZCTEOSA-N 1 2 363.845 2.420 20 30 FEEDLO CO[C@@H]1CC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)C1 ZINC000483054134 561266258 /nfs/dbraw/zinc/26/62/58/561266258.db2.gz QTWIZMUYBBYYLK-OAHLLOKOSA-N 1 2 356.426 2.277 20 30 FEEDLO CO[C@@H]1CC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)C1 ZINC000483054134 561266259 /nfs/dbraw/zinc/26/62/59/561266259.db2.gz QTWIZMUYBBYYLK-OAHLLOKOSA-N 1 2 356.426 2.277 20 30 FEEDLO Cc1ccc(C[N@H+](CCO)[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)o1 ZINC000483173485 561269399 /nfs/dbraw/zinc/26/93/99/561269399.db2.gz HELYDICHLMQMLI-LJQANCHMSA-N 1 2 353.422 2.450 20 30 FEEDLO Cc1ccc(C[N@@H+](CCO)[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)o1 ZINC000483173485 561269400 /nfs/dbraw/zinc/26/94/00/561269400.db2.gz HELYDICHLMQMLI-LJQANCHMSA-N 1 2 353.422 2.450 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](C)C[C@@H](O)C(F)(F)F)c1 ZINC000181277071 547284691 /nfs/dbraw/zinc/28/46/91/547284691.db2.gz PWNZIDHDTGXASP-OAHLLOKOSA-N 1 2 357.376 2.405 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+](C)C[C@@H](O)C(F)(F)F)c1 ZINC000181277071 547284697 /nfs/dbraw/zinc/28/46/97/547284697.db2.gz PWNZIDHDTGXASP-OAHLLOKOSA-N 1 2 357.376 2.405 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](C)C[C@H](O)C(F)(F)F)c1 ZINC000181277055 547285142 /nfs/dbraw/zinc/28/51/42/547285142.db2.gz PWNZIDHDTGXASP-HNNXBMFYSA-N 1 2 357.376 2.405 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+](C)C[C@H](O)C(F)(F)F)c1 ZINC000181277055 547285147 /nfs/dbraw/zinc/28/51/47/547285147.db2.gz PWNZIDHDTGXASP-HNNXBMFYSA-N 1 2 357.376 2.405 20 30 FEEDLO C=C(C)C[C@@H](C)C(=O)N1CC[NH+](CCNC(=O)c2ccc(OC)cc2)CC1 ZINC000183818922 547724575 /nfs/dbraw/zinc/72/45/75/547724575.db2.gz YZHAUYPZTIDKAA-QGZVFWFLSA-N 1 2 373.497 2.172 20 30 FEEDLO C[C@@H](c1cnccn1)[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000184632296 547857640 /nfs/dbraw/zinc/85/76/40/547857640.db2.gz CKPAIVKBYBYKBZ-ZDUSSCGKSA-N 1 2 350.382 2.479 20 30 FEEDLO CCc1ccc([C@@H](COC)[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)o1 ZINC000184810033 547881601 /nfs/dbraw/zinc/88/16/01/547881601.db2.gz CPRSDTITUZUVPX-QGZVFWFLSA-N 1 2 362.451 2.465 20 30 FEEDLO CCCNC(=O)C[C@H](C(N)=O)[N@@H+](CC#Cc1cccc(Cl)c1)CCC ZINC000186882802 548211797 /nfs/dbraw/zinc/21/17/97/548211797.db2.gz HSNXUWWOXXPZFX-QGZVFWFLSA-N 1 2 363.889 2.174 20 30 FEEDLO CCCNC(=O)C[C@H](C(N)=O)[N@H+](CC#Cc1cccc(Cl)c1)CCC ZINC000186882802 548211801 /nfs/dbraw/zinc/21/18/01/548211801.db2.gz HSNXUWWOXXPZFX-QGZVFWFLSA-N 1 2 363.889 2.174 20 30 FEEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CC[C@@H](C)C[C@@H]2C(N)=O)c1C ZINC000187446130 548257686 /nfs/dbraw/zinc/25/76/86/548257686.db2.gz JBXPTWYMIICECF-RDTXWAMCSA-N 1 2 356.470 2.136 20 30 FEEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H](C)C[C@@H]2C(N)=O)c1C ZINC000187446130 548257691 /nfs/dbraw/zinc/25/76/91/548257691.db2.gz JBXPTWYMIICECF-RDTXWAMCSA-N 1 2 356.470 2.136 20 30 FEEDLO CCCN1CCC[N@@H+]([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)CC1=O ZINC000189374595 548302613 /nfs/dbraw/zinc/30/26/13/548302613.db2.gz YLZNYPZZFGNFIC-GNZRSQJKSA-N 1 2 362.518 2.250 20 30 FEEDLO CCCN1CCC[N@H+]([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)CC1=O ZINC000189374595 548302615 /nfs/dbraw/zinc/30/26/15/548302615.db2.gz YLZNYPZZFGNFIC-GNZRSQJKSA-N 1 2 362.518 2.250 20 30 FEEDLO C=C(C)CS(=O)(=O)N(Cc1ccccc1)[C@H](C)C[NH+]1CCOCC1 ZINC000189588380 548305951 /nfs/dbraw/zinc/30/59/51/548305951.db2.gz MQKLCMIBCIURGC-QGZVFWFLSA-N 1 2 352.500 2.115 20 30 FEEDLO CCc1nnc(C2CC[NH+]([C@H](C)C(=O)NC3(C#N)CCCCC3)CC2)[nH]1 ZINC000190692304 548332429 /nfs/dbraw/zinc/33/24/29/548332429.db2.gz WVZUTLIJQNGCDJ-CQSZACIVSA-N 1 2 358.490 2.278 20 30 FEEDLO CCc1n[nH]c(C2CC[NH+]([C@H](C)C(=O)NC3(C#N)CCCCC3)CC2)n1 ZINC000190692304 548332434 /nfs/dbraw/zinc/33/24/34/548332434.db2.gz WVZUTLIJQNGCDJ-CQSZACIVSA-N 1 2 358.490 2.278 20 30 FEEDLO CCc1nc(C2CC[NH+]([C@H](C)C(=O)NC3(C#N)CCCCC3)CC2)n[nH]1 ZINC000190692304 548332437 /nfs/dbraw/zinc/33/24/37/548332437.db2.gz WVZUTLIJQNGCDJ-CQSZACIVSA-N 1 2 358.490 2.278 20 30 FEEDLO N#CCCN(CCC#N)C(=O)C[NH+]1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000192467828 548364961 /nfs/dbraw/zinc/36/49/61/548364961.db2.gz OLCYFAYDBFBCJD-UHFFFAOYSA-N 1 2 370.428 2.376 20 30 FEEDLO C#Cc1cccc(NC(=O)NCC2([NH+]3CCOCC3)CC(OCC)C2)c1 ZINC000193376948 548387025 /nfs/dbraw/zinc/38/70/25/548387025.db2.gz XNJUUSIQCQHTRM-UHFFFAOYSA-N 1 2 357.454 2.059 20 30 FEEDLO C[N@@H+]1CCO[C@@H]([C@H](NC(=O)c2ccnc(C#N)c2)c2ccc(Cl)cc2)C1 ZINC000193722506 548394671 /nfs/dbraw/zinc/39/46/71/548394671.db2.gz ABIKEYNFPSFQQC-QZTJIDSGSA-N 1 2 370.840 2.408 20 30 FEEDLO C[N@H+]1CCO[C@@H]([C@H](NC(=O)c2ccnc(C#N)c2)c2ccc(Cl)cc2)C1 ZINC000193722506 548394675 /nfs/dbraw/zinc/39/46/75/548394675.db2.gz ABIKEYNFPSFQQC-QZTJIDSGSA-N 1 2 370.840 2.408 20 30 FEEDLO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000226881757 548750763 /nfs/dbraw/zinc/75/07/63/548750763.db2.gz RPPZRSBJYILLDS-ULQDDVLXSA-N 1 2 361.486 2.477 20 30 FEEDLO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000226881757 548750765 /nfs/dbraw/zinc/75/07/65/548750765.db2.gz RPPZRSBJYILLDS-ULQDDVLXSA-N 1 2 361.486 2.477 20 30 FEEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000245434399 548918237 /nfs/dbraw/zinc/91/82/37/548918237.db2.gz PTXCJEKNORBWMW-WBMJQRKESA-N 1 2 373.350 2.460 20 30 FEEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000245434399 548918240 /nfs/dbraw/zinc/91/82/40/548918240.db2.gz PTXCJEKNORBWMW-WBMJQRKESA-N 1 2 373.350 2.460 20 30 FEEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+](C)C[C@@H](O)C(F)(F)F ZINC000245978376 549030646 /nfs/dbraw/zinc/03/06/46/549030646.db2.gz GNYOMVSIDIZNAY-IUODEOHRSA-N 1 2 373.375 2.185 20 30 FEEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)C[C@@H](O)C(F)(F)F ZINC000245978376 549030649 /nfs/dbraw/zinc/03/06/49/549030649.db2.gz GNYOMVSIDIZNAY-IUODEOHRSA-N 1 2 373.375 2.185 20 30 FEEDLO C=CCn1cccc1C(=O)NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000488949448 561400172 /nfs/dbraw/zinc/40/01/72/561400172.db2.gz VEWTYZVFUJBPFR-UHFFFAOYSA-N 1 2 372.513 2.128 20 30 FEEDLO Cc1[nH+]c2ccccc2n1CCCNS(=O)(=O)c1cnc(C)c(C#N)c1 ZINC000489074069 561402670 /nfs/dbraw/zinc/40/26/70/561402670.db2.gz MZRWYXSCZGMKHD-UHFFFAOYSA-N 1 2 369.450 2.288 20 30 FEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)[C@H]1CCCN(c2ccccc2)C1=O ZINC000247325919 549318889 /nfs/dbraw/zinc/31/88/89/549318889.db2.gz XSTORIUFBYZCMF-AEFFLSMTSA-N 1 2 356.470 2.122 20 30 FEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)[C@H]1CCCN(c2ccccc2)C1=O ZINC000247325919 549318890 /nfs/dbraw/zinc/31/88/90/549318890.db2.gz XSTORIUFBYZCMF-AEFFLSMTSA-N 1 2 356.470 2.122 20 30 FEEDLO Cc1cc(F)ccc1[C@@H]1C(=O)NCC[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000248636040 549473139 /nfs/dbraw/zinc/47/31/39/549473139.db2.gz UNCNFDIAVYWZTM-RTBURBONSA-N 1 2 353.397 2.212 20 30 FEEDLO Cc1cc(F)ccc1[C@@H]1C(=O)NCC[N@@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000248636040 549473142 /nfs/dbraw/zinc/47/31/42/549473142.db2.gz UNCNFDIAVYWZTM-RTBURBONSA-N 1 2 353.397 2.212 20 30 FEEDLO N#CCOc1ccc(C[NH+]2CCN(CC(=O)Nc3ccccc3)CC2)cc1 ZINC000264157444 549986299 /nfs/dbraw/zinc/98/62/99/549986299.db2.gz RPHQMJJMZQJZFY-UHFFFAOYSA-N 1 2 364.449 2.345 20 30 FEEDLO C=CCN(CC=C)C(=O)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000264250642 549993348 /nfs/dbraw/zinc/99/33/48/549993348.db2.gz AETJOEQJECYWIK-INIZCTEOSA-N 1 2 357.454 2.219 20 30 FEEDLO CCCC[N@H+](CCOC)CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000264556463 549997631 /nfs/dbraw/zinc/99/76/31/549997631.db2.gz LWYBCYFXEARGMR-OAHLLOKOSA-N 1 2 356.426 2.260 20 30 FEEDLO CCCC[N@@H+](CCOC)CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000264556463 549997634 /nfs/dbraw/zinc/99/76/34/549997634.db2.gz LWYBCYFXEARGMR-OAHLLOKOSA-N 1 2 356.426 2.260 20 30 FEEDLO CCCC[N@H+](CCOC)CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000264556462 549998071 /nfs/dbraw/zinc/99/80/71/549998071.db2.gz LWYBCYFXEARGMR-HNNXBMFYSA-N 1 2 356.426 2.260 20 30 FEEDLO CCCC[N@@H+](CCOC)CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000264556462 549998072 /nfs/dbraw/zinc/99/80/72/549998072.db2.gz LWYBCYFXEARGMR-HNNXBMFYSA-N 1 2 356.426 2.260 20 30 FEEDLO C=CCNC(=O)c1ccc(N[C@H](C[NH+]2CCOCC2)c2ccccc2)nc1 ZINC000264910804 550003675 /nfs/dbraw/zinc/00/36/75/550003675.db2.gz TZDQQDYOQKTKJS-LJQANCHMSA-N 1 2 366.465 2.483 20 30 FEEDLO COc1ccc(C(N)=[NH+]O[C@H](C)C(=O)Nc2ccc(OC)cc2OC)cc1 ZINC000264943290 550004418 /nfs/dbraw/zinc/00/44/18/550004418.db2.gz IXPNKHQQOFRIPO-GFCCVEGCSA-N 1 2 373.409 2.377 20 30 FEEDLO C[C@@H]1[C@H](C)SCC[N@@H+]1CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000265534066 550011571 /nfs/dbraw/zinc/01/15/71/550011571.db2.gz QCNUYYNWKFWHJJ-MBNYWOFBSA-N 1 2 356.451 2.337 20 30 FEEDLO C[C@@H]1[C@H](C)SCC[N@H+]1CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000265534066 550011575 /nfs/dbraw/zinc/01/15/75/550011575.db2.gz QCNUYYNWKFWHJJ-MBNYWOFBSA-N 1 2 356.451 2.337 20 30 FEEDLO C=C(Cl)CNC(=O)CS(=O)(=O)Nc1ccc([NH+]2CCCCC2)cc1 ZINC000265601806 550012270 /nfs/dbraw/zinc/01/22/70/550012270.db2.gz ZSUGKOTZMDOLIM-UHFFFAOYSA-N 1 2 371.890 2.287 20 30 FEEDLO C=CCCCN(C)C(=O)C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000265623121 550012799 /nfs/dbraw/zinc/01/27/99/550012799.db2.gz YRDDBSHCCGRBAA-MRXNPFEDSA-N 1 2 359.470 2.443 20 30 FEEDLO C#CC[N@@H+](CC)CC(=O)N(C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000266898653 550025102 /nfs/dbraw/zinc/02/51/02/550025102.db2.gz FTVXRUPUQLENHW-UHFFFAOYSA-N 1 2 355.360 2.057 20 30 FEEDLO C#CC[N@H+](CC)CC(=O)N(C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000266898653 550025103 /nfs/dbraw/zinc/02/51/03/550025103.db2.gz FTVXRUPUQLENHW-UHFFFAOYSA-N 1 2 355.360 2.057 20 30 FEEDLO CCOc1ccc(C#N)cc1NC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000267422228 550030896 /nfs/dbraw/zinc/03/08/96/550030896.db2.gz DHNFXAPGEHYAQA-UHFFFAOYSA-N 1 2 371.441 2.037 20 30 FEEDLO Cc1cc(N2CCN(c3nccc(C#N)c3[N+](=O)[O-])CC2)nc(C(C)C)[nH+]1 ZINC000268437544 550065764 /nfs/dbraw/zinc/06/57/64/550065764.db2.gz CMTSPMYTJIBUSF-UHFFFAOYSA-N 1 2 367.413 2.410 20 30 FEEDLO CCOCc1ccccc1CNC(=O)CO[NH+]=C(N)c1ccc(OC)cc1 ZINC000268584873 550090103 /nfs/dbraw/zinc/09/01/03/550090103.db2.gz CRKOCDLWSHVPBJ-UHFFFAOYSA-N 1 2 371.437 2.185 20 30 FEEDLO CSC[C@@H]1CCC[N@@H+]1CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000268952843 550136177 /nfs/dbraw/zinc/13/61/77/550136177.db2.gz FAZVUYHVCSHEFF-GXTWGEPZSA-N 1 2 356.451 2.339 20 30 FEEDLO CSC[C@@H]1CCC[N@H+]1CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000268952843 550136178 /nfs/dbraw/zinc/13/61/78/550136178.db2.gz FAZVUYHVCSHEFF-GXTWGEPZSA-N 1 2 356.451 2.339 20 30 FEEDLO Cc1cnccc1CCNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000270088192 550248411 /nfs/dbraw/zinc/24/84/11/550248411.db2.gz YUHZBWWHYDYUCQ-UHFFFAOYSA-N 1 2 363.465 2.332 20 30 FEEDLO C#CCC[NH+]1CCN(C(=O)c2cn(CC)c3ccc(Cl)cc3c2=O)CC1 ZINC000273430613 550498337 /nfs/dbraw/zinc/49/83/37/550498337.db2.gz TXMPAJBPGGQETG-UHFFFAOYSA-N 1 2 371.868 2.456 20 30 FEEDLO CCN(CCC#N)C(=O)C[NH2+][C@@H](C)c1nc(-c2ccccc2OC)no1 ZINC000273433143 550498341 /nfs/dbraw/zinc/49/83/41/550498341.db2.gz XZDPPXNZEGMYCM-ZDUSSCGKSA-N 1 2 357.414 2.158 20 30 FEEDLO C=C[C@@](C)(CCOC)C(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000275798606 550574581 /nfs/dbraw/zinc/57/45/81/550574581.db2.gz ZRBQABWUFZJDAX-FQEVSTJZSA-N 1 2 356.470 2.207 20 30 FEEDLO Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@@H](c1[nH]cc[nH+]1)C(C)C ZINC000276694204 550586031 /nfs/dbraw/zinc/58/60/31/550586031.db2.gz XVACVPAPCNKRSS-QGZVFWFLSA-N 1 2 365.441 2.387 20 30 FEEDLO C[C@@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)CC[S@@]1=O ZINC000277268425 550649916 /nfs/dbraw/zinc/64/99/16/550649916.db2.gz RLIKYUFNAZOMDZ-YYUOZPCZSA-N 1 2 365.524 2.280 20 30 FEEDLO C[C@@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)CC[S@@]1=O ZINC000277268425 550649918 /nfs/dbraw/zinc/64/99/18/550649918.db2.gz RLIKYUFNAZOMDZ-YYUOZPCZSA-N 1 2 365.524 2.280 20 30 FEEDLO C[C@@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)CC[S@]1=O ZINC000277268430 550650016 /nfs/dbraw/zinc/65/00/16/550650016.db2.gz RLIKYUFNAZOMDZ-OIRASMEMSA-N 1 2 365.524 2.280 20 30 FEEDLO C[C@@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)CC[S@]1=O ZINC000277268430 550650017 /nfs/dbraw/zinc/65/00/17/550650017.db2.gz RLIKYUFNAZOMDZ-OIRASMEMSA-N 1 2 365.524 2.280 20 30 FEEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000278880014 550831803 /nfs/dbraw/zinc/83/18/03/550831803.db2.gz NBHUIUMONKQMHL-KUHUBIRLSA-N 1 2 372.494 2.231 20 30 FEEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000278880014 550831805 /nfs/dbraw/zinc/83/18/05/550831805.db2.gz NBHUIUMONKQMHL-KUHUBIRLSA-N 1 2 372.494 2.231 20 30 FEEDLO N#CCCn1cc(C[N@H+]2CC(=O)N[C@@H]3CCCC[C@@H]32)c(-c2ccncc2)n1 ZINC000279402118 550886092 /nfs/dbraw/zinc/88/60/92/550886092.db2.gz MOHYAFWOUPQTNT-MSOLQXFVSA-N 1 2 364.453 2.102 20 30 FEEDLO N#CCCn1cc(C[N@@H+]2CC(=O)N[C@@H]3CCCC[C@@H]32)c(-c2ccncc2)n1 ZINC000279402118 550886094 /nfs/dbraw/zinc/88/60/94/550886094.db2.gz MOHYAFWOUPQTNT-MSOLQXFVSA-N 1 2 364.453 2.102 20 30 FEEDLO C[C@@H]1OCC[C@@]12C[N@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)C[C@@H](C)O2 ZINC000279916720 550942488 /nfs/dbraw/zinc/94/24/88/550942488.db2.gz WBGCJHXHFILRCO-FHSNZYRGSA-N 1 2 363.845 2.418 20 30 FEEDLO C[C@@H]1OCC[C@@]12C[N@@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)C[C@@H](C)O2 ZINC000279916720 550942489 /nfs/dbraw/zinc/94/24/89/550942489.db2.gz WBGCJHXHFILRCO-FHSNZYRGSA-N 1 2 363.845 2.418 20 30 FEEDLO Cc1ccc(N(CCC#N)C(=O)C[N@H+]2C[C@H](C)O[C@@]3(CCOC3)C2)cc1C ZINC000280235322 550973565 /nfs/dbraw/zinc/97/35/65/550973565.db2.gz AQILTAVZXJBTOZ-RXVVDRJESA-N 1 2 371.481 2.430 20 30 FEEDLO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2C[C@H](C)O[C@@]3(CCOC3)C2)cc1C ZINC000280235322 550973566 /nfs/dbraw/zinc/97/35/66/550973566.db2.gz AQILTAVZXJBTOZ-RXVVDRJESA-N 1 2 371.481 2.430 20 30 FEEDLO CC1(C)C[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C[C@]2(CCOC2)O1 ZINC000280301167 550978450 /nfs/dbraw/zinc/97/84/50/550978450.db2.gz FSICHDYJVJJOFV-SFHVURJKSA-N 1 2 363.845 2.420 20 30 FEEDLO CC1(C)C[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C[C@]2(CCOC2)O1 ZINC000280301167 550978452 /nfs/dbraw/zinc/97/84/52/550978452.db2.gz FSICHDYJVJJOFV-SFHVURJKSA-N 1 2 363.845 2.420 20 30 FEEDLO CC[NH+](CC)Cc1nc(C2(NC(=O)c3ccnc(C#N)c3)CCCC2)no1 ZINC000280472005 550997636 /nfs/dbraw/zinc/99/76/36/550997636.db2.gz CQSJYXDRQLRKBZ-UHFFFAOYSA-N 1 2 368.441 2.377 20 30 FEEDLO Cc1cc(C#N)nc(NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)n1 ZINC000280955751 551049107 /nfs/dbraw/zinc/04/91/07/551049107.db2.gz KHDFJASOBTXMPC-UHFFFAOYSA-N 1 2 350.426 2.172 20 30 FEEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)Nc2cc(C)c(Cl)cc2OC)C1=O ZINC000281399256 551092428 /nfs/dbraw/zinc/09/24/28/551092428.db2.gz QJFTUJJFKCVQOL-OAHLLOKOSA-N 1 2 365.861 2.314 20 30 FEEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)Nc2cc(C)c(Cl)cc2OC)C1=O ZINC000281399256 551092430 /nfs/dbraw/zinc/09/24/30/551092430.db2.gz QJFTUJJFKCVQOL-OAHLLOKOSA-N 1 2 365.861 2.314 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000281560107 551113262 /nfs/dbraw/zinc/11/32/62/551113262.db2.gz NWBXWHDPXLPCIU-RYRKJORJSA-N 1 2 374.485 2.292 20 30 FEEDLO Cn1c[nH+]cc1CCC(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000282031095 551171889 /nfs/dbraw/zinc/17/18/89/551171889.db2.gz XYROJTOFYVRQPT-UHFFFAOYSA-N 1 2 357.845 2.227 20 30 FEEDLO COCCCn1nccc1C[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000282710857 551262486 /nfs/dbraw/zinc/26/24/86/551262486.db2.gz BDHFWUFAVPTZID-FQEVSTJZSA-N 1 2 353.470 2.302 20 30 FEEDLO CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCN(c2cncc3ccccc32)CC1 ZINC000282730198 551264385 /nfs/dbraw/zinc/26/43/85/551264385.db2.gz CLGHQRKDGRKLOE-QGZVFWFLSA-N 1 2 365.481 2.365 20 30 FEEDLO C[C@@H]1CN(c2ccc(CNc3cc(N)c([N+](=O)[O-])c(C#N)c3)c[nH+]2)CCO1 ZINC000283503424 551377920 /nfs/dbraw/zinc/37/79/20/551377920.db2.gz IWKNESINNKUMRI-GFCCVEGCSA-N 1 2 368.397 2.281 20 30 FEEDLO C#CC[NH+]1CCN(c2nnc(-c3ccccc3)n2CCCOCC)CC1 ZINC000283720156 551415396 /nfs/dbraw/zinc/41/53/96/551415396.db2.gz XHTQOXJMFFVKAH-UHFFFAOYSA-N 1 2 353.470 2.127 20 30 FEEDLO C[C@@H](O[NH+]=C(N)[C@H]1CCCO1)C(=O)Nc1ccccc1Br ZINC000284028298 551470997 /nfs/dbraw/zinc/47/09/97/551470997.db2.gz IMBYHOSMPQQLCG-BXKDBHETSA-N 1 2 356.220 2.244 20 30 FEEDLO COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)O[NH+]=C(N)[C@@H]1CCCO1 ZINC000284434493 551548343 /nfs/dbraw/zinc/54/83/43/551548343.db2.gz OXLOQHUMOKCRJO-GWCFXTLKSA-N 1 2 355.822 2.452 20 30 FEEDLO CC(C)CN(CC(=O)NCC(C)(C)[NH+]1CCOCC1)c1ccc(C#N)cc1 ZINC000498895159 561536956 /nfs/dbraw/zinc/53/69/56/561536956.db2.gz WAJYMWHXKMQKAD-UHFFFAOYSA-N 1 2 372.513 2.248 20 30 FEEDLO C=CCOc1ccccc1CNC(=O)C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000287262636 551982486 /nfs/dbraw/zinc/98/24/86/551982486.db2.gz IUBSBANRLSQQKL-MRXNPFEDSA-N 1 2 368.437 2.345 20 30 FEEDLO N#Cc1cnc2ccccc2c1N1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000287270613 551983592 /nfs/dbraw/zinc/98/35/92/551983592.db2.gz HKWOWGZIEUMRCL-UHFFFAOYSA-N 1 2 360.421 2.111 20 30 FEEDLO CC1(C)C[NH+]=C(N2CCN(c3cc(N)c([N+](=O)[O-])c(C#N)c3)CC2)S1 ZINC000287772296 552044528 /nfs/dbraw/zinc/04/45/28/552044528.db2.gz IBRLBBLOKPPWFM-UHFFFAOYSA-N 1 2 360.443 2.052 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N[C@H](c2ccc(F)cc2)C(C)C)C1=O ZINC000499988084 561563571 /nfs/dbraw/zinc/56/35/71/561563571.db2.gz NOODWXZISGFPFW-HKUYNNGSSA-N 1 2 361.461 2.358 20 30 FEEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N[C@H](c2ccc(F)cc2)C(C)C)C1=O ZINC000499988084 561563572 /nfs/dbraw/zinc/56/35/72/561563572.db2.gz NOODWXZISGFPFW-HKUYNNGSSA-N 1 2 361.461 2.358 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N[C@@H](c2ccc(F)cc2)C(C)C)C1=O ZINC000499988087 561563702 /nfs/dbraw/zinc/56/37/02/561563702.db2.gz NOODWXZISGFPFW-PKOBYXMFSA-N 1 2 361.461 2.358 20 30 FEEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N[C@@H](c2ccc(F)cc2)C(C)C)C1=O ZINC000499988087 561563703 /nfs/dbraw/zinc/56/37/03/561563703.db2.gz NOODWXZISGFPFW-PKOBYXMFSA-N 1 2 361.461 2.358 20 30 FEEDLO C[C@H](CC#N)N(C)S(=O)(=O)NCc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000289046330 552257769 /nfs/dbraw/zinc/25/77/69/552257769.db2.gz DBYQUJIXOBJPIU-GFCCVEGCSA-N 1 2 361.471 2.019 20 30 FEEDLO Cc1cnc(C(C)(C)[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)s1 ZINC000289707839 552365304 /nfs/dbraw/zinc/36/53/04/552365304.db2.gz FRBGJBZPEPRABM-UHFFFAOYSA-N 1 2 350.469 2.017 20 30 FEEDLO Cc1cc[nH+]cc1N1CCN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CC1 ZINC000500690337 561579449 /nfs/dbraw/zinc/57/94/49/561579449.db2.gz UQANXSHVWQFXSR-HXUWFJFHSA-N 1 2 372.469 2.300 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+](Cc2cccc(O)c2)CC2CC2)nc1 ZINC000290230423 552445668 /nfs/dbraw/zinc/44/56/68/552445668.db2.gz IQHRBMYERPZADR-UHFFFAOYSA-N 1 2 371.462 2.345 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+](Cc2cccc(O)c2)CC2CC2)nc1 ZINC000290230423 552445669 /nfs/dbraw/zinc/44/56/69/552445669.db2.gz IQHRBMYERPZADR-UHFFFAOYSA-N 1 2 371.462 2.345 20 30 FEEDLO CCO[C@H]1C[C@H]([N@H+](C)CCS(=O)(=O)c2ccc(C#N)cn2)C12CCC2 ZINC000290262948 552450279 /nfs/dbraw/zinc/45/02/79/552450279.db2.gz KVSWFDVGISNROL-HOTGVXAUSA-N 1 2 363.483 2.006 20 30 FEEDLO CCO[C@H]1C[C@H]([N@@H+](C)CCS(=O)(=O)c2ccc(C#N)cn2)C12CCC2 ZINC000290262948 552450281 /nfs/dbraw/zinc/45/02/81/552450281.db2.gz KVSWFDVGISNROL-HOTGVXAUSA-N 1 2 363.483 2.006 20 30 FEEDLO CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1ccnn1C)c1ccc(C#N)c([N+](=O)[O-])c1 ZINC000290894766 552557275 /nfs/dbraw/zinc/55/72/75/552557275.db2.gz DELAZCIRZPWRED-YOEHRIQHSA-N 1 2 372.404 2.249 20 30 FEEDLO CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1ccnn1C)c1ccc(C#N)c([N+](=O)[O-])c1 ZINC000290894766 552557276 /nfs/dbraw/zinc/55/72/76/552557276.db2.gz DELAZCIRZPWRED-YOEHRIQHSA-N 1 2 372.404 2.249 20 30 FEEDLO CO[C@@H](C)c1noc(C[N@@H+]2CCCN(c3ccc(C#N)c(C)n3)CC2)n1 ZINC000291845385 552667475 /nfs/dbraw/zinc/66/74/75/552667475.db2.gz HASNWEZWMBPANU-AWEZNQCLSA-N 1 2 356.430 2.064 20 30 FEEDLO CO[C@@H](C)c1noc(C[N@H+]2CCCN(c3ccc(C#N)c(C)n3)CC2)n1 ZINC000291845385 552667477 /nfs/dbraw/zinc/66/74/77/552667477.db2.gz HASNWEZWMBPANU-AWEZNQCLSA-N 1 2 356.430 2.064 20 30 FEEDLO CC(=O)c1ccccc1NC(=O)C[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292145886 552698298 /nfs/dbraw/zinc/69/82/98/552698298.db2.gz JVUSMBXLXPCZLD-MRXNPFEDSA-N 1 2 364.405 2.248 20 30 FEEDLO CC(=O)c1ccccc1NC(=O)C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292145886 552698299 /nfs/dbraw/zinc/69/82/99/552698299.db2.gz JVUSMBXLXPCZLD-MRXNPFEDSA-N 1 2 364.405 2.248 20 30 FEEDLO C[C@@H](c1nnnn1-c1ccccc1)[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292354154 552718803 /nfs/dbraw/zinc/71/88/03/552718803.db2.gz XPIWLALAEMAOEP-YOEHRIQHSA-N 1 2 361.409 2.143 20 30 FEEDLO C[C@@H](c1nnnn1-c1ccccc1)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292354154 552718804 /nfs/dbraw/zinc/71/88/04/552718804.db2.gz XPIWLALAEMAOEP-YOEHRIQHSA-N 1 2 361.409 2.143 20 30 FEEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](CC(=O)Nc3ccc(Cl)cn3)C2)nc1 ZINC000292390721 552722385 /nfs/dbraw/zinc/72/23/85/552722385.db2.gz ZSVVLYJDTMKBSP-CQSZACIVSA-N 1 2 357.801 2.093 20 30 FEEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](CC(=O)Nc3ccc(Cl)cn3)C2)nc1 ZINC000292390721 552722387 /nfs/dbraw/zinc/72/23/87/552722387.db2.gz ZSVVLYJDTMKBSP-CQSZACIVSA-N 1 2 357.801 2.093 20 30 FEEDLO C=CCC(C)(C)CNC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000293483360 552828302 /nfs/dbraw/zinc/82/83/02/552828302.db2.gz VELOQVUFINCCMA-UHFFFAOYSA-N 1 2 372.513 2.091 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCN([C@@H](C)c3ccc(F)cc3)C2=O)C1=O ZINC000294101726 552882013 /nfs/dbraw/zinc/88/20/13/552882013.db2.gz MLHSGAIDPVNAPV-WBAXXEDZSA-N 1 2 359.445 2.206 20 30 FEEDLO C=CCN1CC[C@H]([N@H+](C)[C@H]2CCN([C@@H](C)c3ccc(F)cc3)C2=O)C1=O ZINC000294101726 552882014 /nfs/dbraw/zinc/88/20/14/552882014.db2.gz MLHSGAIDPVNAPV-WBAXXEDZSA-N 1 2 359.445 2.206 20 30 FEEDLO N#C[C@]1(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC12CCCC2 ZINC000294610976 552920382 /nfs/dbraw/zinc/92/03/82/552920382.db2.gz ZXMCAUGDZGCBKH-RXVVDRJESA-N 1 2 353.466 2.478 20 30 FEEDLO N#C[C@]1(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC12CCCC2 ZINC000294610976 552920383 /nfs/dbraw/zinc/92/03/83/552920383.db2.gz ZXMCAUGDZGCBKH-RXVVDRJESA-N 1 2 353.466 2.478 20 30 FEEDLO C[C@H](CC#N)N(C)S(=O)(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000296529586 553174789 /nfs/dbraw/zinc/17/47/89/553174789.db2.gz AMFWIDKKQNQTKX-GFCCVEGCSA-N 1 2 367.862 2.094 20 30 FEEDLO C#CCOc1ccc(CNC(=O)N2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000297117810 553255196 /nfs/dbraw/zinc/25/51/96/553255196.db2.gz RIQOWXYRHHYHHL-UHFFFAOYSA-N 1 2 364.449 2.121 20 30 FEEDLO C=CCOc1c(Br)cc(C[NH+]2CC(CC(N)=O)C2)cc1OC ZINC000297337189 553280361 /nfs/dbraw/zinc/28/03/61/553280361.db2.gz FIYHRXNSUVKXPC-UHFFFAOYSA-N 1 2 369.259 2.330 20 30 FEEDLO Cc1ccc([C@@H]2CCCCN2C(=O)C(=O)N2CCC(C#N)([NH+](C)C)CC2)o1 ZINC000297615262 553316039 /nfs/dbraw/zinc/31/60/39/553316039.db2.gz DSFUHFURAHBMNW-INIZCTEOSA-N 1 2 372.469 2.088 20 30 FEEDLO CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000503623908 561645637 /nfs/dbraw/zinc/64/56/37/561645637.db2.gz BUFYYMQZSHMVHM-AUUYWEPGSA-N 1 2 358.442 2.038 20 30 FEEDLO N#Cc1ccsc1NC(=O)C[NH+]1CCC(CC(=O)N2CCCC2)CC1 ZINC000298777832 553471615 /nfs/dbraw/zinc/47/16/15/553471615.db2.gz UZIWYNOOMBDPER-UHFFFAOYSA-N 1 2 360.483 2.283 20 30 FEEDLO C[C@H](C(=O)N[C@@H]1CCCC[C@H]1C)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000299009550 553502913 /nfs/dbraw/zinc/50/29/13/553502913.db2.gz CSGFYORVFGTUAK-JFIYKMOQSA-N 1 2 355.486 2.159 20 30 FEEDLO C[C@H](O)CNc1cc(NC2CCC(Oc3ccc(C#N)cn3)CC2)nc[nH+]1 ZINC000299101910 553515789 /nfs/dbraw/zinc/51/57/89/553515789.db2.gz WODDOZCPZREYQA-JEYLPNPQSA-N 1 2 368.441 2.338 20 30 FEEDLO C[C@H](O)CNc1cc(NC2CCC(Oc3ccc(C#N)cn3)CC2)[nH+]cn1 ZINC000299101910 553515791 /nfs/dbraw/zinc/51/57/91/553515791.db2.gz WODDOZCPZREYQA-JEYLPNPQSA-N 1 2 368.441 2.338 20 30 FEEDLO N#Cc1ccc(CNC(=O)C[N@@H+](Cc2ccco2)C[C@@H]2CCCO2)cc1 ZINC000299144303 553521301 /nfs/dbraw/zinc/52/13/01/553521301.db2.gz VAOFGAYZQYYXTQ-IBGZPJMESA-N 1 2 353.422 2.449 20 30 FEEDLO N#Cc1ccc(CNC(=O)C[N@H+](Cc2ccco2)C[C@@H]2CCCO2)cc1 ZINC000299144303 553521302 /nfs/dbraw/zinc/52/13/02/553521302.db2.gz VAOFGAYZQYYXTQ-IBGZPJMESA-N 1 2 353.422 2.449 20 30 FEEDLO Cc1[nH][nH]c(=NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@]23CCOC3)c1C#N ZINC000602191794 553536461 /nfs/dbraw/zinc/53/64/61/553536461.db2.gz ZWAXZNMSYNTEJR-PXNSSMCTSA-N 1 2 365.437 2.067 20 30 FEEDLO Cc1[nH][nH]c(=NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@]23CCOC3)c1C#N ZINC000602191794 553536462 /nfs/dbraw/zinc/53/64/62/553536462.db2.gz ZWAXZNMSYNTEJR-PXNSSMCTSA-N 1 2 365.437 2.067 20 30 FEEDLO CS(=O)(=O)CC[NH+]1CCC(Nc2c(C#N)cnc3ccccc32)CC1 ZINC000301389933 553647787 /nfs/dbraw/zinc/64/77/87/553647787.db2.gz GBHGWYYZCUWZMQ-UHFFFAOYSA-N 1 2 358.467 2.027 20 30 FEEDLO Cn1c2ccccc2[nH+]c1CCCNc1ccc(S(N)(=O)=O)cc1C#N ZINC000301582968 553663294 /nfs/dbraw/zinc/66/32/94/553663294.db2.gz QHMJDEXCIIMFCB-UHFFFAOYSA-N 1 2 369.450 2.137 20 30 FEEDLO Cc1cn2cc(NC(=O)N3CCC[C@@H](S(C)(=O)=O)CC3)ccc2[nH+]1 ZINC000328654993 553803134 /nfs/dbraw/zinc/80/31/34/553803134.db2.gz MJGIWBKRXIHBCX-CQSZACIVSA-N 1 2 350.444 2.087 20 30 FEEDLO C[N@@H+]1CCN(S(=O)(=O)c2ccc(C#N)s2)C[C@H]1Cc1ccccc1 ZINC000328854832 553833392 /nfs/dbraw/zinc/83/33/92/553833392.db2.gz CMFSXZQXLZJYFH-OAHLLOKOSA-N 1 2 361.492 2.167 20 30 FEEDLO C[N@H+]1CCN(S(=O)(=O)c2ccc(C#N)s2)C[C@H]1Cc1ccccc1 ZINC000328854832 553833394 /nfs/dbraw/zinc/83/33/94/553833394.db2.gz CMFSXZQXLZJYFH-OAHLLOKOSA-N 1 2 361.492 2.167 20 30 FEEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)COc2ccsc2Cl)CC1 ZINC000328909409 553843289 /nfs/dbraw/zinc/84/32/89/553843289.db2.gz MSVQAGAWVRCZAS-LLVKDONJSA-N 1 2 371.890 2.432 20 30 FEEDLO CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000328963969 553854093 /nfs/dbraw/zinc/85/40/93/553854093.db2.gz LQDPPDQBTSDGKH-KXBFYZLASA-N 1 2 359.470 2.200 20 30 FEEDLO CNC(=O)Cc1nc(C[N@@H+]2CCOC[C@@H]2[C@@H]2CCC[C@H]2OC)cs1 ZINC000328964462 553854140 /nfs/dbraw/zinc/85/41/40/553854140.db2.gz LXKRRDKNSHIIIR-RRFJBIMHSA-N 1 2 353.488 2.288 20 30 FEEDLO CNC(=O)Cc1nc(C[N@H+]2CCOC[C@@H]2[C@@H]2CCC[C@H]2OC)cs1 ZINC000328964462 553854142 /nfs/dbraw/zinc/85/41/42/553854142.db2.gz LXKRRDKNSHIIIR-RRFJBIMHSA-N 1 2 353.488 2.288 20 30 FEEDLO CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000328982574 553858701 /nfs/dbraw/zinc/85/87/01/553858701.db2.gz YNPIYHBCDZOWBC-HUUCEWRRSA-N 1 2 350.463 2.048 20 30 FEEDLO CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000328982574 553858700 /nfs/dbraw/zinc/85/87/00/553858700.db2.gz YNPIYHBCDZOWBC-HUUCEWRRSA-N 1 2 350.463 2.048 20 30 FEEDLO CO[C@@H]1CCC[C@@H]1[C@H]1COCC[N@@H+]1CC(=O)Nc1c(C)nn(C)c1C ZINC000328985507 553859100 /nfs/dbraw/zinc/85/91/00/553859100.db2.gz TYGAUVPOLQCEGF-BZUAXINKSA-N 1 2 350.463 2.141 20 30 FEEDLO CO[C@@H]1CCC[C@@H]1[C@H]1COCC[N@H+]1CC(=O)Nc1c(C)nn(C)c1C ZINC000328985507 553859101 /nfs/dbraw/zinc/85/91/01/553859101.db2.gz TYGAUVPOLQCEGF-BZUAXINKSA-N 1 2 350.463 2.141 20 30 FEEDLO Cc1ncsc1C(=O)N[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C ZINC000329018601 553865659 /nfs/dbraw/zinc/86/56/59/553865659.db2.gz LBVDMXWQFBIBAE-IUODEOHRSA-N 1 2 359.455 2.384 20 30 FEEDLO Cc1ccc(C(=O)N2CC[NH+]([C@@H](C)C(=O)NC3CCCC3)CC2)c(=O)[nH]1 ZINC000329033002 553868235 /nfs/dbraw/zinc/86/82/35/553868235.db2.gz XTKDSRXERQLIOL-AWEZNQCLSA-N 1 2 360.458 2.141 20 30 FEEDLO C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[N@@H+]1CCO[C@]2(CCCOC2)C1 ZINC000329083634 553877410 /nfs/dbraw/zinc/87/74/10/553877410.db2.gz STZZNFBPYCLFRB-ZIFCJYIRSA-N 1 2 354.491 2.420 20 30 FEEDLO C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[N@H+]1CCO[C@]2(CCCOC2)C1 ZINC000329083634 553877412 /nfs/dbraw/zinc/87/74/12/553877412.db2.gz STZZNFBPYCLFRB-ZIFCJYIRSA-N 1 2 354.491 2.420 20 30 FEEDLO C=CCNC(=O)C[NH+]1CCN(Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000506248694 561694082 /nfs/dbraw/zinc/69/40/82/561694082.db2.gz PXGJAFLTOULHMJ-UHFFFAOYSA-N 1 2 360.458 2.138 20 30 FEEDLO C=CCNC(=O)CN1CC[NH+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000506248694 561694083 /nfs/dbraw/zinc/69/40/83/561694083.db2.gz PXGJAFLTOULHMJ-UHFFFAOYSA-N 1 2 360.458 2.138 20 30 FEEDLO O=C(NCC1CC1)[C@H]1CSCN1C(=O)C1CC[NH+](CC(F)F)CC1 ZINC000329182517 553897296 /nfs/dbraw/zinc/89/72/96/553897296.db2.gz FEPSVLHNBBDMFC-CYBMUJFWSA-N 1 2 361.458 2.232 20 30 FEEDLO O=C(N[C@@H]1CC(=O)N(C2CC2)[C@H]1c1cccnc1)[C@H]1CCn2cc[nH+]c2C1 ZINC000329190541 553898857 /nfs/dbraw/zinc/89/88/57/553898857.db2.gz QCALCNFMKKVGPH-CRFBAAHOSA-N 1 2 365.437 2.302 20 30 FEEDLO CC1(C)CN(C(=O)C2CC2)CC[N@@H+]1CC(=O)NCc1ccc2c(c1)OCO2 ZINC000329229870 553906815 /nfs/dbraw/zinc/90/68/15/553906815.db2.gz JQUIKVCYEUTFDL-UHFFFAOYSA-N 1 2 373.453 2.205 20 30 FEEDLO CC1(C)CN(C(=O)C2CC2)CC[N@H+]1CC(=O)NCc1ccc2c(c1)OCO2 ZINC000329229870 553906817 /nfs/dbraw/zinc/90/68/17/553906817.db2.gz JQUIKVCYEUTFDL-UHFFFAOYSA-N 1 2 373.453 2.205 20 30 FEEDLO O=C(NCc1ccccc1-n1cc[nH+]c1)N1CCOC[C@@H]1[C@H]1CCCO1 ZINC000329286656 553917945 /nfs/dbraw/zinc/91/79/45/553917945.db2.gz PJGBEZITHLVQSU-QZTJIDSGSA-N 1 2 356.426 2.166 20 30 FEEDLO CN(C(=O)CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1)C1CCCCC1 ZINC000329303466 553921295 /nfs/dbraw/zinc/92/12/95/553921295.db2.gz XIRHQXYJBSOJTH-KRWDZBQOSA-N 1 2 351.491 2.377 20 30 FEEDLO CN(C(=O)CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1)C1CCCCC1 ZINC000329303466 553921297 /nfs/dbraw/zinc/92/12/97/553921297.db2.gz XIRHQXYJBSOJTH-KRWDZBQOSA-N 1 2 351.491 2.377 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1ccc([C@H]2CCCOC2)cc1 ZINC000506483275 561699969 /nfs/dbraw/zinc/69/99/69/561699969.db2.gz VPDQJXOWMYWCSO-FQEVSTJZSA-N 1 2 371.481 2.269 20 30 FEEDLO Cc1cc(N2CCC(NC(=O)[C@@H]3COCC[N@@H+]3CC3CCC3)CC2)n[nH]1 ZINC000329344611 553928911 /nfs/dbraw/zinc/92/89/11/553928911.db2.gz QPCSNDMTTMTZSS-KRWDZBQOSA-N 1 2 361.490 2.144 20 30 FEEDLO Cc1cc(N2CCC(NC(=O)[C@@H]3COCC[N@H+]3CC3CCC3)CC2)n[nH]1 ZINC000329344611 553928912 /nfs/dbraw/zinc/92/89/12/553928912.db2.gz QPCSNDMTTMTZSS-KRWDZBQOSA-N 1 2 361.490 2.144 20 30 FEEDLO CC(C)CCNC(=O)[C@@H]1CSCN1C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000329348910 553929452 /nfs/dbraw/zinc/92/94/52/553929452.db2.gz DQUFTERGMLGNHA-ZFWWWQNUSA-N 1 2 350.488 2.350 20 30 FEEDLO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)[C@H]1CCn2c[nH+]cc2C1 ZINC000329356307 553930570 /nfs/dbraw/zinc/93/05/70/553930570.db2.gz GZSQEJHDPWKMNH-PKOBYXMFSA-N 1 2 354.454 2.303 20 30 FEEDLO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)[C@H]1CCn2cncc2C1 ZINC000329356307 553930572 /nfs/dbraw/zinc/93/05/72/553930572.db2.gz GZSQEJHDPWKMNH-PKOBYXMFSA-N 1 2 354.454 2.303 20 30 FEEDLO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)[C@H]1CCn2cncc2C1 ZINC000329356307 553930575 /nfs/dbraw/zinc/93/05/75/553930575.db2.gz GZSQEJHDPWKMNH-PKOBYXMFSA-N 1 2 354.454 2.303 20 30 FEEDLO Cn1c[nH+]cc1[C@H]1[C@H](NC(=O)N2CCCCCC2)CCC(=O)N1C1CC1 ZINC000329358097 553931813 /nfs/dbraw/zinc/93/18/13/553931813.db2.gz WVENJELWYGVBQN-CRAIPNDOSA-N 1 2 359.474 2.405 20 30 FEEDLO C[C@@H]1C[C@H]1C(=O)Nc1ccc(F)cc1C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000329385024 553935942 /nfs/dbraw/zinc/93/59/42/553935942.db2.gz PEMQTHPFMSLWTC-ZPUIDXCVSA-N 1 2 361.417 2.225 20 30 FEEDLO C[C@@H]1C[C@H]1C(=O)Nc1ccc(F)cc1C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000329385024 553935944 /nfs/dbraw/zinc/93/59/44/553935944.db2.gz PEMQTHPFMSLWTC-ZPUIDXCVSA-N 1 2 361.417 2.225 20 30 FEEDLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000329389722 553937391 /nfs/dbraw/zinc/93/73/91/553937391.db2.gz RAXHAANQOGRTGO-GOSISDBHSA-N 1 2 370.453 2.106 20 30 FEEDLO CC[N@H+]1CCOC[C@@H]1C(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000329389722 553937395 /nfs/dbraw/zinc/93/73/95/553937395.db2.gz RAXHAANQOGRTGO-GOSISDBHSA-N 1 2 370.453 2.106 20 30 FEEDLO CC(C)C(=O)N[C@@H]1CCCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000329409271 553941361 /nfs/dbraw/zinc/94/13/61/553941361.db2.gz CRRALULLYDNSSG-WBVHZDCISA-N 1 2 351.491 2.233 20 30 FEEDLO CC(C)C(=O)N[C@@H]1CCCN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000329409271 553941362 /nfs/dbraw/zinc/94/13/62/553941362.db2.gz CRRALULLYDNSSG-WBVHZDCISA-N 1 2 351.491 2.233 20 30 FEEDLO CC[C@@H]1C[C@H](C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)CC(=O)N1 ZINC000329431636 553946046 /nfs/dbraw/zinc/94/60/46/553946046.db2.gz KODHHIZQCDXPSO-VBQJREDUSA-N 1 2 355.504 2.296 20 30 FEEDLO Cc1cc(NC(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)cnc1N1CCCC[C@@H]1C ZINC000329438899 553947018 /nfs/dbraw/zinc/94/70/18/553947018.db2.gz AREYQKYKHFQLMZ-RYQLBKOJSA-N 1 2 373.501 2.329 20 30 FEEDLO Cc1cc(NC(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)cnc1N1CCCC[C@@H]1C ZINC000329438899 553947020 /nfs/dbraw/zinc/94/70/20/553947020.db2.gz AREYQKYKHFQLMZ-RYQLBKOJSA-N 1 2 373.501 2.329 20 30 FEEDLO C[NH+]1CCN(C(=O)c2cc(NC(=O)N3C[C@H]4CCCC[C@@H]4C3)ccn2)CC1 ZINC000329457463 553950558 /nfs/dbraw/zinc/95/05/58/553950558.db2.gz QMYQLWDABPUKNP-HZPDHXFCSA-N 1 2 371.485 2.137 20 30 FEEDLO C[C@@H]1N(C(=O)N[C@@H](c2[nH+]ccn2C)C2CCOCC2)CCOC1(C)C ZINC000329480758 553954409 /nfs/dbraw/zinc/95/44/09/553954409.db2.gz PHOHWRUHAXYYNK-DZGCQCFKSA-N 1 2 350.463 2.301 20 30 FEEDLO [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000329548870 553965533 /nfs/dbraw/zinc/96/55/33/553965533.db2.gz BIWCOPPWSOEISQ-ZBFHGGJFSA-N 1 2 362.474 2.231 20 30 FEEDLO [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000329548870 553965535 /nfs/dbraw/zinc/96/55/35/553965535.db2.gz BIWCOPPWSOEISQ-ZBFHGGJFSA-N 1 2 362.474 2.231 20 30 FEEDLO Cc1cccc(NC(=O)NC(=O)C[N@H+](C)C[C@@H]2CCS(=O)(=O)C2)c1C ZINC000329578067 553970941 /nfs/dbraw/zinc/97/09/41/553970941.db2.gz OVSAGAYRBSYEBO-AWEZNQCLSA-N 1 2 367.471 2.172 20 30 FEEDLO Cc1cccc(NC(=O)NC(=O)C[N@@H+](C)C[C@@H]2CCS(=O)(=O)C2)c1C ZINC000329578067 553970942 /nfs/dbraw/zinc/97/09/42/553970942.db2.gz OVSAGAYRBSYEBO-AWEZNQCLSA-N 1 2 367.471 2.172 20 30 FEEDLO O=C(N[C@@H]1CCOC2(CCOCC2)C1)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000329591417 553973136 /nfs/dbraw/zinc/97/31/36/553973136.db2.gz ZXXMRJNSHJOZBV-NVXWUHKLSA-N 1 2 352.475 2.315 20 30 FEEDLO O=C(N[C@@H]1CCOC2(CCOCC2)C1)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000329591417 553973138 /nfs/dbraw/zinc/97/31/38/553973138.db2.gz ZXXMRJNSHJOZBV-NVXWUHKLSA-N 1 2 352.475 2.315 20 30 FEEDLO C[N@H+](CC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2)[C@]1(CO)CCOC1 ZINC000329622126 553978453 /nfs/dbraw/zinc/97/84/53/553978453.db2.gz HCKXQEQKTFQKPK-SFHVURJKSA-N 1 2 362.426 2.399 20 30 FEEDLO C[N@@H+](CC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2)[C@]1(CO)CCOC1 ZINC000329622126 553978455 /nfs/dbraw/zinc/97/84/55/553978455.db2.gz HCKXQEQKTFQKPK-SFHVURJKSA-N 1 2 362.426 2.399 20 30 FEEDLO COc1ccc(NC(=O)[C@@H](C)N2CC[C@H]([NH+]3CCOCC3)C2)c(OC)c1 ZINC000329751176 553999631 /nfs/dbraw/zinc/99/96/31/553999631.db2.gz VLUYRHRARKWHBM-CABCVRRESA-N 1 2 363.458 2.087 20 30 FEEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)NC2CCN(c3nccs3)CC2)C1 ZINC000329788369 554006187 /nfs/dbraw/zinc/00/61/87/554006187.db2.gz ZNZXSFYFIIXIKY-ZDUSSCGKSA-N 1 2 360.487 2.249 20 30 FEEDLO CC(C)(C(=O)NCCc1csc(N2CCCC2)n1)[NH+]1CCOCC1 ZINC000329889848 554025320 /nfs/dbraw/zinc/02/53/20/554025320.db2.gz FEPAURSLPDCWAM-UHFFFAOYSA-N 1 2 352.504 2.353 20 30 FEEDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)C1 ZINC000507293414 561723964 /nfs/dbraw/zinc/72/39/64/561723964.db2.gz ZUOYLPARVIOGIX-YWZLYKJASA-N 1 2 374.485 2.463 20 30 FEEDLO COc1cc(NC(=O)N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)ccc1Br ZINC000329914838 554030187 /nfs/dbraw/zinc/03/01/87/554030187.db2.gz CSEVXSADDGHAGF-TZMCWYRMSA-N 1 2 370.247 2.018 20 30 FEEDLO COc1cc(NC(=O)N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)ccc1Br ZINC000329914838 554030192 /nfs/dbraw/zinc/03/01/92/554030192.db2.gz CSEVXSADDGHAGF-TZMCWYRMSA-N 1 2 370.247 2.018 20 30 FEEDLO N#Cc1ccccc1N1CC[NH+](CC(=O)NCc2ccccc2F)CC1 ZINC000507320156 561724772 /nfs/dbraw/zinc/72/47/72/561724772.db2.gz PVNBEKJZOUTBOS-UHFFFAOYSA-N 1 2 352.413 2.136 20 30 FEEDLO Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNC(=O)NC[C@@]1(C)CCOC1 ZINC000329921319 554032374 /nfs/dbraw/zinc/03/23/74/554032374.db2.gz SOZBFGGMBPWJDD-RLFYNMQTSA-N 1 2 368.453 2.134 20 30 FEEDLO Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNC(=O)NC[C@@]1(C)CCOC1 ZINC000329921319 554032377 /nfs/dbraw/zinc/03/23/77/554032377.db2.gz SOZBFGGMBPWJDD-RLFYNMQTSA-N 1 2 368.453 2.134 20 30 FEEDLO Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNC(=O)Nc1ccnc(C)n1 ZINC000329958006 554039342 /nfs/dbraw/zinc/03/93/42/554039342.db2.gz PTFRNUKEFIKOCQ-KBPBESRZSA-N 1 2 362.409 2.328 20 30 FEEDLO Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNC(=O)Nc1ccnc(C)n1 ZINC000329958006 554039344 /nfs/dbraw/zinc/03/93/44/554039344.db2.gz PTFRNUKEFIKOCQ-KBPBESRZSA-N 1 2 362.409 2.328 20 30 FEEDLO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000329972150 554041848 /nfs/dbraw/zinc/04/18/48/554041848.db2.gz VYBFVFZFPNOINX-MSOLQXFVSA-N 1 2 369.469 2.092 20 30 FEEDLO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000329972150 554041849 /nfs/dbraw/zinc/04/18/49/554041849.db2.gz VYBFVFZFPNOINX-MSOLQXFVSA-N 1 2 369.469 2.092 20 30 FEEDLO COc1ccc(NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)c(C(F)(F)F)c1 ZINC000329976990 554042262 /nfs/dbraw/zinc/04/22/62/554042262.db2.gz ZFBBTEXAVTXPMC-KGLIPLIRSA-N 1 2 359.348 2.274 20 30 FEEDLO COc1ccc(NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)c(C(F)(F)F)c1 ZINC000329976990 554042264 /nfs/dbraw/zinc/04/22/64/554042264.db2.gz ZFBBTEXAVTXPMC-KGLIPLIRSA-N 1 2 359.348 2.274 20 30 FEEDLO CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1)C(=O)N[C@@H]1CC[S@](=O)C1 ZINC000329978073 554042764 /nfs/dbraw/zinc/04/27/64/554042764.db2.gz GWHCDVRBZZEOLM-OLFLTKEKSA-N 1 2 373.519 2.027 20 30 FEEDLO CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1)C(=O)N[C@@H]1CC[S@](=O)C1 ZINC000329978073 554042766 /nfs/dbraw/zinc/04/27/66/554042766.db2.gz GWHCDVRBZZEOLM-OLFLTKEKSA-N 1 2 373.519 2.027 20 30 FEEDLO CC(=O)N1CCC[C@@H]1C(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1c(C)noc1C ZINC000329981435 554043398 /nfs/dbraw/zinc/04/33/98/554043398.db2.gz NGBMVXMYLXMVQJ-YQQAZPJKSA-N 1 2 366.437 2.171 20 30 FEEDLO CC(=O)N1CCC[C@@H]1C(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1c(C)noc1C ZINC000329981435 554043399 /nfs/dbraw/zinc/04/33/99/554043399.db2.gz NGBMVXMYLXMVQJ-YQQAZPJKSA-N 1 2 366.437 2.171 20 30 FEEDLO O=C(CN1CSCC1=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000329983759 554043769 /nfs/dbraw/zinc/04/37/69/554043769.db2.gz PWLHHTNBZDQTQJ-RYUDHWBXSA-N 1 2 357.476 2.150 20 30 FEEDLO O=C(CN1CSCC1=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000329983759 554043770 /nfs/dbraw/zinc/04/37/70/554043770.db2.gz PWLHHTNBZDQTQJ-RYUDHWBXSA-N 1 2 357.476 2.150 20 30 FEEDLO C[C@H](C(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1)C1CCOCC1 ZINC000329991058 554045179 /nfs/dbraw/zinc/04/51/79/554045179.db2.gz WPABETXYGOGIFT-JQFCIGGWSA-N 1 2 352.454 2.352 20 30 FEEDLO C[C@H](C(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1)C1CCOCC1 ZINC000329991058 554045180 /nfs/dbraw/zinc/04/51/80/554045180.db2.gz WPABETXYGOGIFT-JQFCIGGWSA-N 1 2 352.454 2.352 20 30 FEEDLO [O-]C(N[C@@H]1CCOC2(CCSCC2)C1)=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330278849 554098303 /nfs/dbraw/zinc/09/83/03/554098303.db2.gz QDVFJRJEAGYIDC-ZIAGYGMSSA-N 1 2 350.488 2.146 20 30 FEEDLO [O-]C(N[C@@H]1CCn2cc[nH+]c2C1)=[NH+][C@@H]1CCOC2(CCSCC2)C1 ZINC000330278849 554098305 /nfs/dbraw/zinc/09/83/05/554098305.db2.gz QDVFJRJEAGYIDC-ZIAGYGMSSA-N 1 2 350.488 2.146 20 30 FEEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)N[C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)CCO1 ZINC000330281961 554098954 /nfs/dbraw/zinc/09/89/54/554098954.db2.gz AHQPPAAASGDUJL-XLTGGDBASA-N 1 2 362.474 2.347 20 30 FEEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)[C@@H](C)C[N@@H+]1C ZINC000507933780 561746312 /nfs/dbraw/zinc/74/63/12/561746312.db2.gz IQVIMDABLVMAHB-MNOVXSKESA-N 1 2 361.389 2.290 20 30 FEEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)[C@@H](C)C[N@H+]1C ZINC000507933780 561746313 /nfs/dbraw/zinc/74/63/13/561746313.db2.gz IQVIMDABLVMAHB-MNOVXSKESA-N 1 2 361.389 2.290 20 30 FEEDLO Cc1cc(C#N)ccc1S(=O)(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000508095083 561751484 /nfs/dbraw/zinc/75/14/84/561751484.db2.gz MRZSNIYEDWPTRV-UHFFFAOYSA-N 1 2 353.407 2.307 20 30 FEEDLO CCC(=O)N[C@H]1CCC[N@@H+]([C@@H](C)C(=O)NC(=O)Nc2ccc(C)cc2C)C1 ZINC000330748769 554166285 /nfs/dbraw/zinc/16/62/85/554166285.db2.gz HBKZVATWJVHMSW-HOTGVXAUSA-N 1 2 374.485 2.344 20 30 FEEDLO CCC(=O)N[C@H]1CCC[N@H+]([C@@H](C)C(=O)NC(=O)Nc2ccc(C)cc2C)C1 ZINC000330748769 554166286 /nfs/dbraw/zinc/16/62/86/554166286.db2.gz HBKZVATWJVHMSW-HOTGVXAUSA-N 1 2 374.485 2.344 20 30 FEEDLO C[N@@H+]1CCO[C@@H](CNC(=O)c2cc(NC(=O)C(C)(C)C)ccc2F)C1 ZINC000330905368 554185938 /nfs/dbraw/zinc/18/59/38/554185938.db2.gz DDYFPEBDJIBOJB-ZDUSSCGKSA-N 1 2 351.422 2.446 20 30 FEEDLO C[N@H+]1CCO[C@@H](CNC(=O)c2cc(NC(=O)C(C)(C)C)ccc2F)C1 ZINC000330905368 554185940 /nfs/dbraw/zinc/18/59/40/554185940.db2.gz DDYFPEBDJIBOJB-ZDUSSCGKSA-N 1 2 351.422 2.446 20 30 FEEDLO Cn1cc[nH+]c1CN1CCN(C(=O)c2ccc(C(C)(C)C#N)cc2)CC1 ZINC000331081694 554210086 /nfs/dbraw/zinc/21/00/86/554210086.db2.gz ZHSOUZWVPXRVDE-UHFFFAOYSA-N 1 2 351.454 2.179 20 30 FEEDLO Cc1nc(C(C)(C)C)sc1C(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000331124723 554217466 /nfs/dbraw/zinc/21/74/66/554217466.db2.gz YNMUNDMYULXTPV-QGZVFWFLSA-N 1 2 355.504 2.137 20 30 FEEDLO CN(C)C(=O)C[NH+]1CCC(NC(=O)c2cc(F)c(O)c(Cl)c2)CC1 ZINC000331247475 554235869 /nfs/dbraw/zinc/23/58/69/554235869.db2.gz TUQXKOWHBXPQQI-UHFFFAOYSA-N 1 2 357.813 2.042 20 30 FEEDLO C=CCn1c(C(C)C)nnc1N1CC[NH+]([C@H](C)C(=O)NC2CCCC2)CC1 ZINC000508847800 561774854 /nfs/dbraw/zinc/77/48/54/561774854.db2.gz WKZZDIOCBJXCSX-MRXNPFEDSA-N 1 2 374.533 2.157 20 30 FEEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+]2C[C@@H](C)[C@@H](O)C2)c1C#N ZINC000509050310 561782916 /nfs/dbraw/zinc/78/29/16/561782916.db2.gz VSBUTHNYVYDAAF-KUHUBIRLSA-N 1 2 366.465 2.276 20 30 FEEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+]2C[C@@H](C)[C@@H](O)C2)c1C#N ZINC000509050310 561782917 /nfs/dbraw/zinc/78/29/17/561782917.db2.gz VSBUTHNYVYDAAF-KUHUBIRLSA-N 1 2 366.465 2.276 20 30 FEEDLO C[C@@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC[S@]1=O ZINC000331889254 554339616 /nfs/dbraw/zinc/33/96/16/554339616.db2.gz GIFSNQMZYBIKFW-OIRASMEMSA-N 1 2 365.524 2.280 20 30 FEEDLO C[C@@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC[S@]1=O ZINC000331889254 554339617 /nfs/dbraw/zinc/33/96/17/554339617.db2.gz GIFSNQMZYBIKFW-OIRASMEMSA-N 1 2 365.524 2.280 20 30 FEEDLO Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)[NH+]1CCC(C)(C#N)CC1 ZINC000332642406 554489637 /nfs/dbraw/zinc/48/96/37/554489637.db2.gz VSWFXOVEICGHLX-MRXNPFEDSA-N 1 2 356.470 2.372 20 30 FEEDLO Cn1cc(C#N)c(=NC(=O)NCc2[nH+]ccn2CCCc2ccccc2)[nH]1 ZINC000610584964 554535015 /nfs/dbraw/zinc/53/50/15/554535015.db2.gz ZASWNRXOXHUVDL-UHFFFAOYSA-N 1 2 363.425 2.443 20 30 FEEDLO CCc1ccc(C[NH+]2CCN(S(=O)(=O)CC3(CC#N)CC3)CC2)s1 ZINC000333492994 554618248 /nfs/dbraw/zinc/61/82/48/554618248.db2.gz ZSBHBHSQGLDZJK-UHFFFAOYSA-N 1 2 367.540 2.452 20 30 FEEDLO C[C@@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)[NH+]1CCC(F)(C#N)CC1 ZINC000510937196 561851500 /nfs/dbraw/zinc/85/15/00/561851500.db2.gz OBMVLULPLTXGDX-AWEZNQCLSA-N 1 2 358.417 2.468 20 30 FEEDLO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1CC(=O)Nc1oc(C)c(C)c1C#N ZINC000364377646 555302102 /nfs/dbraw/zinc/30/21/02/555302102.db2.gz OTGKFCAPBILBFE-IAGOWNOFSA-N 1 2 358.442 2.182 20 30 FEEDLO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1CC(=O)Nc1oc(C)c(C)c1C#N ZINC000364377646 555302104 /nfs/dbraw/zinc/30/21/04/555302104.db2.gz OTGKFCAPBILBFE-IAGOWNOFSA-N 1 2 358.442 2.182 20 30 FEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@]2(C1)c1ccccc1NC2=O ZINC000364437496 555314075 /nfs/dbraw/zinc/31/40/75/555314075.db2.gz BEBMXJWBMSZSON-RXVVDRJESA-N 1 2 361.401 2.368 20 30 FEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@]2(C1)c1ccccc1NC2=O ZINC000364437496 555314078 /nfs/dbraw/zinc/31/40/78/555314078.db2.gz BEBMXJWBMSZSON-RXVVDRJESA-N 1 2 361.401 2.368 20 30 FEEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@]2(C1)c1ccccc1NC2=O ZINC000364437495 555314112 /nfs/dbraw/zinc/31/41/12/555314112.db2.gz BEBMXJWBMSZSON-NQIIRXRSSA-N 1 2 361.401 2.368 20 30 FEEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@]2(C1)c1ccccc1NC2=O ZINC000364437495 555314114 /nfs/dbraw/zinc/31/41/14/555314114.db2.gz BEBMXJWBMSZSON-NQIIRXRSSA-N 1 2 361.401 2.368 20 30 FEEDLO C=C(C)C[N@H+](CC(=O)NC(=O)NC1CCCCC1)Cc1ccc(CO)o1 ZINC000512450217 561905510 /nfs/dbraw/zinc/90/55/10/561905510.db2.gz PUVIPRHBURQLPL-UHFFFAOYSA-N 1 2 363.458 2.309 20 30 FEEDLO C=C(C)C[N@@H+](CC(=O)NC(=O)NC1CCCCC1)Cc1ccc(CO)o1 ZINC000512450217 561905511 /nfs/dbraw/zinc/90/55/11/561905511.db2.gz PUVIPRHBURQLPL-UHFFFAOYSA-N 1 2 363.458 2.309 20 30 FEEDLO N#CC1(NC(=O)C[N@H+]2CCCN(c3ncccc3F)CC2)CCCCC1 ZINC000364749825 555393243 /nfs/dbraw/zinc/39/32/43/555393243.db2.gz NZRQIGDSVAZMMP-UHFFFAOYSA-N 1 2 359.449 2.075 20 30 FEEDLO N#CC1(NC(=O)C[N@@H+]2CCCN(c3ncccc3F)CC2)CCCCC1 ZINC000364749825 555393246 /nfs/dbraw/zinc/39/32/46/555393246.db2.gz NZRQIGDSVAZMMP-UHFFFAOYSA-N 1 2 359.449 2.075 20 30 FEEDLO Cc1n[nH]c(C2CC[NH+](CC(=O)Nc3ccc(C#N)c(Cl)c3)CC2)n1 ZINC000365111114 555488095 /nfs/dbraw/zinc/48/80/95/555488095.db2.gz UQGUTRKTMRWTEM-UHFFFAOYSA-N 1 2 358.833 2.456 20 30 FEEDLO Cc1nc(C2CC[NH+](CC(=O)Nc3ccc(C#N)c(Cl)c3)CC2)n[nH]1 ZINC000365111114 555488097 /nfs/dbraw/zinc/48/80/97/555488097.db2.gz UQGUTRKTMRWTEM-UHFFFAOYSA-N 1 2 358.833 2.456 20 30 FEEDLO Cc1nnc(C2CC[NH+](CC(=O)Nc3ccc(C#N)c(Cl)c3)CC2)[nH]1 ZINC000365111114 555488099 /nfs/dbraw/zinc/48/80/99/555488099.db2.gz UQGUTRKTMRWTEM-UHFFFAOYSA-N 1 2 358.833 2.456 20 30 FEEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[S@@](=O)C[C@@H](C)C1 ZINC000365440696 555576759 /nfs/dbraw/zinc/57/67/59/555576759.db2.gz DIAFMSIADVQZBK-DRHQKKPBSA-N 1 2 353.532 2.006 20 30 FEEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[S@@](=O)C[C@@H](C)C1 ZINC000365440696 555576761 /nfs/dbraw/zinc/57/67/61/555576761.db2.gz DIAFMSIADVQZBK-DRHQKKPBSA-N 1 2 353.532 2.006 20 30 FEEDLO N#Cc1c(F)ccc(C[N@@H+]2CC[C@@H](S(=O)(=O)NC3CC3)C2)c1Cl ZINC000365443804 555577480 /nfs/dbraw/zinc/57/74/80/555577480.db2.gz PHGJANSLLDAIKT-GFCCVEGCSA-N 1 2 357.838 2.007 20 30 FEEDLO N#Cc1c(F)ccc(C[N@H+]2CC[C@@H](S(=O)(=O)NC3CC3)C2)c1Cl ZINC000365443804 555577481 /nfs/dbraw/zinc/57/74/81/555577481.db2.gz PHGJANSLLDAIKT-GFCCVEGCSA-N 1 2 357.838 2.007 20 30 FEEDLO COC(=O)[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC12CCC2 ZINC000365709656 555646773 /nfs/dbraw/zinc/64/67/73/555646773.db2.gz FIFBUANQIKFGNS-WFASDCNBSA-N 1 2 359.426 2.370 20 30 FEEDLO COC(=O)[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC12CCC2 ZINC000365709656 555646775 /nfs/dbraw/zinc/64/67/75/555646775.db2.gz FIFBUANQIKFGNS-WFASDCNBSA-N 1 2 359.426 2.370 20 30 FEEDLO COC(=O)[C@H]1C[N@@H+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC12CCC2 ZINC000365709655 555647086 /nfs/dbraw/zinc/64/70/86/555647086.db2.gz FIFBUANQIKFGNS-SWLSCSKDSA-N 1 2 359.426 2.370 20 30 FEEDLO COC(=O)[C@H]1C[N@H+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC12CCC2 ZINC000365709655 555647087 /nfs/dbraw/zinc/64/70/87/555647087.db2.gz FIFBUANQIKFGNS-SWLSCSKDSA-N 1 2 359.426 2.370 20 30 FEEDLO C[C@H](NC(=O)C[NH+]1CCN(c2ccc(C#N)nc2)CC1)c1cccs1 ZINC000365755103 555660580 /nfs/dbraw/zinc/66/05/80/555660580.db2.gz WFSUNOLTLPSYMF-AWEZNQCLSA-N 1 2 355.467 2.014 20 30 FEEDLO C=CCN(Cc1ccc(OC)cc1)C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000366529878 555869093 /nfs/dbraw/zinc/86/90/93/555869093.db2.gz QTSGDHWUEYSBAJ-LJQANCHMSA-N 1 2 359.470 2.256 20 30 FEEDLO C=CCN(Cc1ccc(OC)cc1)C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000366529878 555869097 /nfs/dbraw/zinc/86/90/97/555869097.db2.gz QTSGDHWUEYSBAJ-LJQANCHMSA-N 1 2 359.470 2.256 20 30 FEEDLO CC(C)Oc1ccc(NC(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)cc1C#N ZINC000366605800 555888780 /nfs/dbraw/zinc/88/87/80/555888780.db2.gz XISHQUSFAZDPOT-KRWDZBQOSA-N 1 2 358.442 2.330 20 30 FEEDLO CC(C)Oc1ccc(NC(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)cc1C#N ZINC000366605800 555888783 /nfs/dbraw/zinc/88/87/83/555888783.db2.gz XISHQUSFAZDPOT-KRWDZBQOSA-N 1 2 358.442 2.330 20 30 FEEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCN(c2ccc(F)cn2)CC1 ZINC000367657014 556106222 /nfs/dbraw/zinc/10/62/22/556106222.db2.gz GWJNKKMAUHIBBZ-CQSZACIVSA-N 1 2 353.401 2.242 20 30 FEEDLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](C)c1ccc(C#N)cc1 ZINC000515559712 562015107 /nfs/dbraw/zinc/01/51/07/562015107.db2.gz UUTJGFWYJMHFQO-RDTXWAMCSA-N 1 2 367.453 2.232 20 30 FEEDLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](C)c1ccc(C#N)cc1 ZINC000515559712 562015109 /nfs/dbraw/zinc/01/51/09/562015109.db2.gz UUTJGFWYJMHFQO-RDTXWAMCSA-N 1 2 367.453 2.232 20 30 FEEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)c1C ZINC000368976287 556465568 /nfs/dbraw/zinc/46/55/68/556465568.db2.gz VIDIBHAJUDWTMS-SQGPQFPESA-N 1 2 368.481 2.136 20 30 FEEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)c1C ZINC000368976287 556465569 /nfs/dbraw/zinc/46/55/69/556465569.db2.gz VIDIBHAJUDWTMS-SQGPQFPESA-N 1 2 368.481 2.136 20 30 FEEDLO Cc1ncccc1O[C@H]1CC[N@H+](CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000368982769 556467500 /nfs/dbraw/zinc/46/75/00/556467500.db2.gz KZYDIIJBJAPKTP-KRWDZBQOSA-N 1 2 371.462 2.189 20 30 FEEDLO Cc1ncccc1O[C@H]1CC[N@@H+](CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000368982769 556467502 /nfs/dbraw/zinc/46/75/02/556467502.db2.gz KZYDIIJBJAPKTP-KRWDZBQOSA-N 1 2 371.462 2.189 20 30 FEEDLO CCc1nc([C@@H]2CCC[N@@H+]([C@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)no1 ZINC000368996525 556471819 /nfs/dbraw/zinc/47/18/19/556471819.db2.gz WFBLTTLXLVGXEW-WBVHZDCISA-N 1 2 365.437 2.489 20 30 FEEDLO CCc1nc([C@@H]2CCC[N@H+]([C@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)no1 ZINC000368996525 556471822 /nfs/dbraw/zinc/47/18/22/556471822.db2.gz WFBLTTLXLVGXEW-WBVHZDCISA-N 1 2 365.437 2.489 20 30 FEEDLO Cc1nc(CO[C@H]2CC[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)C2)cs1 ZINC000369011510 556475154 /nfs/dbraw/zinc/47/51/54/556475154.db2.gz RUSRJIVPCQFCMQ-DOTOQJQBSA-N 1 2 350.488 2.097 20 30 FEEDLO Cc1nc(CO[C@H]2CC[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)C2)cs1 ZINC000369011510 556475158 /nfs/dbraw/zinc/47/51/58/556475158.db2.gz RUSRJIVPCQFCMQ-DOTOQJQBSA-N 1 2 350.488 2.097 20 30 FEEDLO Cc1nc(CO[C@@H]2CC[N@H+](CC(=O)NC3(C#N)CCCCC3)C2)cs1 ZINC000369011576 556475772 /nfs/dbraw/zinc/47/57/72/556475772.db2.gz VBEINXGHEULCOF-MRXNPFEDSA-N 1 2 362.499 2.385 20 30 FEEDLO Cc1nc(CO[C@@H]2CC[N@@H+](CC(=O)NC3(C#N)CCCCC3)C2)cs1 ZINC000369011576 556475775 /nfs/dbraw/zinc/47/57/75/556475775.db2.gz VBEINXGHEULCOF-MRXNPFEDSA-N 1 2 362.499 2.385 20 30 FEEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369015166 556476348 /nfs/dbraw/zinc/47/63/48/556476348.db2.gz AETRCOAZQQEETL-GJZGRUSLSA-N 1 2 374.445 2.159 20 30 FEEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369015166 556476351 /nfs/dbraw/zinc/47/63/51/556476351.db2.gz AETRCOAZQQEETL-GJZGRUSLSA-N 1 2 374.445 2.159 20 30 FEEDLO CCc1nc(C[NH+]2C[C@H]3CN(c4ncc(C#N)cc4Cl)C[C@@H]3C2)no1 ZINC000369384029 556586468 /nfs/dbraw/zinc/58/64/68/556586468.db2.gz AAWGTVKYUXMOHU-STQMWFEESA-N 1 2 358.833 2.120 20 30 FEEDLO C[C@@H]1CCCN(c2cc(N3CCC(n4cnc(C#N)n4)CC3)[nH+]cn2)C1 ZINC000369528621 556621355 /nfs/dbraw/zinc/62/13/55/556621355.db2.gz BPSRXQAISGZVDM-CQSZACIVSA-N 1 2 352.446 2.018 20 30 FEEDLO C[C@@H]1CCCN(c2cc(N3CCC(n4cnc(C#N)n4)CC3)nc[nH+]2)C1 ZINC000369528621 556621357 /nfs/dbraw/zinc/62/13/57/556621357.db2.gz BPSRXQAISGZVDM-CQSZACIVSA-N 1 2 352.446 2.018 20 30 FEEDLO CC1(C)C[N@@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@]2(CCCOC2)O1 ZINC000369786143 556695065 /nfs/dbraw/zinc/69/50/65/556695065.db2.gz DSLUHZPWQGWXLY-NQIIRXRSSA-N 1 2 369.465 2.324 20 30 FEEDLO CC1(C)C[N@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@]2(CCCOC2)O1 ZINC000369786143 556695068 /nfs/dbraw/zinc/69/50/68/556695068.db2.gz DSLUHZPWQGWXLY-NQIIRXRSSA-N 1 2 369.465 2.324 20 30 FEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](C(=O)N2CCCCC2)C1 ZINC000370226761 556816061 /nfs/dbraw/zinc/81/60/61/556816061.db2.gz DOJMKSJALQLATM-OALUTQOASA-N 1 2 369.465 2.497 20 30 FEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](C(=O)N2CCCCC2)C1 ZINC000370226761 556816062 /nfs/dbraw/zinc/81/60/62/556816062.db2.gz DOJMKSJALQLATM-OALUTQOASA-N 1 2 369.465 2.497 20 30 FEEDLO N#Cc1c(F)cccc1N1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000370606879 556920301 /nfs/dbraw/zinc/92/03/01/556920301.db2.gz PVRQVXNHGPPVIJ-ZDUSSCGKSA-N 1 2 353.401 2.189 20 30 FEEDLO CC(C)n1nccc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000370738210 556954076 /nfs/dbraw/zinc/95/40/76/556954076.db2.gz JPZFOGONFHKTLA-GDBMZVCRSA-N 1 2 368.441 2.211 20 30 FEEDLO CC(C)n1nccc1NC(=O)[C@@H](C)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000370738210 556954079 /nfs/dbraw/zinc/95/40/79/556954079.db2.gz JPZFOGONFHKTLA-GDBMZVCRSA-N 1 2 368.441 2.211 20 30 FEEDLO N#Cc1cnn(-c2ccc(C(=O)N3CCC(c4c[nH+]c[nH]4)CC3)cc2)c1N ZINC000371178140 557098360 /nfs/dbraw/zinc/09/83/60/557098360.db2.gz WDRNGIUVGDJGKU-UHFFFAOYSA-N 1 2 361.409 2.069 20 30 FEEDLO N#Cc1cnn(-c2ccc(C(=O)N3CCC(c4c[nH]c[nH+]4)CC3)cc2)c1N ZINC000371178140 557098362 /nfs/dbraw/zinc/09/83/62/557098362.db2.gz WDRNGIUVGDJGKU-UHFFFAOYSA-N 1 2 361.409 2.069 20 30 FEEDLO N#Cc1ncccc1SCC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000517390265 562088420 /nfs/dbraw/zinc/08/84/20/562088420.db2.gz FPYHVMKYGGCFDF-UHFFFAOYSA-N 1 2 358.492 2.451 20 30 FEEDLO N#Cc1cc2c(nc1NC[C@]1([NH+]3CCOCC3)CCCOC1)CCCC2 ZINC000371386167 557169530 /nfs/dbraw/zinc/16/95/30/557169530.db2.gz XLZYYGSQWOYMRC-HXUWFJFHSA-N 1 2 356.470 2.125 20 30 FEEDLO Cc1cc(C)n2c(C[N@@H+]3C[C@H](C#N)[C@]4(C3)c3ccccc3NC4=O)cnc2n1 ZINC000371457038 557190066 /nfs/dbraw/zinc/19/00/66/557190066.db2.gz HXJJGFNWZQWFRR-YCRPNKLZSA-N 1 2 372.432 2.192 20 30 FEEDLO Cc1cc(C)n2c(C[N@H+]3C[C@H](C#N)[C@]4(C3)c3ccccc3NC4=O)cnc2n1 ZINC000371457038 557190068 /nfs/dbraw/zinc/19/00/68/557190068.db2.gz HXJJGFNWZQWFRR-YCRPNKLZSA-N 1 2 372.432 2.192 20 30 FEEDLO C=CCOCCNC(=O)N[C@@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1 ZINC000371631258 557245661 /nfs/dbraw/zinc/24/56/61/557245661.db2.gz BPAAYYFOLYIGNJ-QGZVFWFLSA-N 1 2 374.441 2.029 20 30 FEEDLO C=C1CC[NH+]([C@H](C)C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)CC1 ZINC000518678422 562116361 /nfs/dbraw/zinc/11/63/61/562116361.db2.gz UGFFCRUGHVLXBT-LLVKDONJSA-N 1 2 355.360 2.199 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)C1CC(c2cccc(F)c2)C1 ZINC000372550100 557501327 /nfs/dbraw/zinc/50/13/27/557501327.db2.gz JUUKUMASUYSBPL-UHFFFAOYSA-N 1 2 359.445 2.394 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1CNS(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000519519801 562133106 /nfs/dbraw/zinc/13/31/06/562133106.db2.gz JAHWDHWMVRRRPG-QAPCUYQASA-N 1 2 361.467 2.191 20 30 FEEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCCN(c2cncc(F)c2)CC1 ZINC000372879787 557581159 /nfs/dbraw/zinc/58/11/59/557581159.db2.gz JXZJXXLBMSUDNV-UHFFFAOYSA-N 1 2 359.430 2.305 20 30 FEEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCCN(c2cncc(F)c2)CC1 ZINC000372879787 557581161 /nfs/dbraw/zinc/58/11/61/557581161.db2.gz JXZJXXLBMSUDNV-UHFFFAOYSA-N 1 2 359.430 2.305 20 30 FEEDLO N#CC[C@H](CC(=O)NC[C@]1([NH+]2CCOCC2)CCCOC1)c1ccccc1 ZINC000373548056 557716054 /nfs/dbraw/zinc/71/60/54/557716054.db2.gz OOXNTZOMROAOKZ-TZIWHRDSSA-N 1 2 371.481 2.072 20 30 FEEDLO COc1ccnc(C[N@@H+]2CCCN(c3ncccc3C#N)CC2)c1OC ZINC000373714787 557743984 /nfs/dbraw/zinc/74/39/84/557743984.db2.gz YMIAOMGVVJNIKX-UHFFFAOYSA-N 1 2 353.426 2.078 20 30 FEEDLO COc1ccnc(C[N@H+]2CCCN(c3ncccc3C#N)CC2)c1OC ZINC000373714787 557743986 /nfs/dbraw/zinc/74/39/86/557743986.db2.gz YMIAOMGVVJNIKX-UHFFFAOYSA-N 1 2 353.426 2.078 20 30 FEEDLO COc1ccccc1[C@@H]1CN(C(=O)COc2ccc(C#N)cc2)CC[NH2+]1 ZINC000374353073 557870326 /nfs/dbraw/zinc/87/03/26/557870326.db2.gz SXNZJWISEQITKD-SFHVURJKSA-N 1 2 351.406 2.119 20 30 FEEDLO Cc1cccc2[nH+]c(CN3C[C@@H](C#N)[C@@]4(C3)c3ccccc3NC4=O)cn21 ZINC000374355771 557870861 /nfs/dbraw/zinc/87/08/61/557870861.db2.gz ZNPCGICUQNJOHL-VFNWGFHPSA-N 1 2 357.417 2.488 20 30 FEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](c2nc(N(C)C)no2)C1 ZINC000374626951 557908629 /nfs/dbraw/zinc/90/86/29/557908629.db2.gz NPROELLOTHWZFQ-HOTGVXAUSA-N 1 2 369.425 2.101 20 30 FEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](c2nc(N(C)C)no2)C1 ZINC000374626951 557908630 /nfs/dbraw/zinc/90/86/30/557908630.db2.gz NPROELLOTHWZFQ-HOTGVXAUSA-N 1 2 369.425 2.101 20 30 FEEDLO N#CC1(NC(=O)C[NH+]2CCC(c3noc(C4CC4)n3)CC2)CCCCC1 ZINC000375161976 557985504 /nfs/dbraw/zinc/98/55/04/557985504.db2.gz UEKNENZNYHOPOE-UHFFFAOYSA-N 1 2 357.458 2.469 20 30 FEEDLO Cn1cc[nH+]c1[C@H]1CCN(S(=O)(=O)c2cc(C#N)ccc2Cl)C1 ZINC000375372094 558016889 /nfs/dbraw/zinc/01/68/89/558016889.db2.gz YXKOFJFSSFVUEY-LBPRGKRZSA-N 1 2 350.831 2.123 20 30 FEEDLO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000376187289 558138547 /nfs/dbraw/zinc/13/85/47/558138547.db2.gz LGXFCKQTTGHPCC-KPFFTGBYSA-N 1 2 371.481 2.283 20 30 FEEDLO C#CCCCS(=O)(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000376328861 558158573 /nfs/dbraw/zinc/15/85/73/558158573.db2.gz WMLPGDMVAOBVJX-DLBZAZTESA-N 1 2 370.902 2.045 20 30 FEEDLO C#CCCCS(=O)(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000376328861 558158575 /nfs/dbraw/zinc/15/85/75/558158575.db2.gz WMLPGDMVAOBVJX-DLBZAZTESA-N 1 2 370.902 2.045 20 30 FEEDLO C=CCOc1ccc(C[NH+]2CC(n3cc(C(C)(C)O)nn3)C2)cc1OC ZINC000376504073 558182240 /nfs/dbraw/zinc/18/22/40/558182240.db2.gz FLVIBNPSQVXTFZ-UHFFFAOYSA-N 1 2 358.442 2.136 20 30 FEEDLO N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000521844889 562184685 /nfs/dbraw/zinc/18/46/85/562184685.db2.gz WYDVMAALPDKRDM-SFHVURJKSA-N 1 2 364.453 2.186 20 30 FEEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c1 ZINC000377768802 558415960 /nfs/dbraw/zinc/41/59/60/558415960.db2.gz SDKLLVKVSZJYOG-ZWKOTPCHSA-N 1 2 360.479 2.365 20 30 FEEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c1 ZINC000377768802 558415963 /nfs/dbraw/zinc/41/59/63/558415963.db2.gz SDKLLVKVSZJYOG-ZWKOTPCHSA-N 1 2 360.479 2.365 20 30 FEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+]Cc1nnc2n1C[C@@H](C(F)(F)F)CC2 ZINC000377823172 558426850 /nfs/dbraw/zinc/42/68/50/558426850.db2.gz HFPRQORNEHFLPM-OLZOCXBDSA-N 1 2 371.407 2.082 20 30 FEEDLO N#Cc1ccc(OCC[N@@H+]2C[C@@H](C#N)[C@@]3(C2)C(=O)Nc2ccccc23)cc1 ZINC000378282475 558519199 /nfs/dbraw/zinc/51/91/99/558519199.db2.gz ASSQWJXIEBQAFA-IIBYNOLFSA-N 1 2 358.401 2.283 20 30 FEEDLO N#Cc1ccc(OCC[N@H+]2C[C@@H](C#N)[C@@]3(C2)C(=O)Nc2ccccc23)cc1 ZINC000378282475 558519202 /nfs/dbraw/zinc/51/92/02/558519202.db2.gz ASSQWJXIEBQAFA-IIBYNOLFSA-N 1 2 358.401 2.283 20 30 FEEDLO Cn1cc[nH+]c1-c1cccc(CNS(=O)(=O)c2ccccc2C#N)c1 ZINC000378380369 558544336 /nfs/dbraw/zinc/54/43/36/558544336.db2.gz BWHHQJADVOTSGS-UHFFFAOYSA-N 1 2 352.419 2.437 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ccnc(-n4cccn4)c3)CC2)cc1 ZINC000523486420 562214060 /nfs/dbraw/zinc/21/40/60/562214060.db2.gz NLOQFKUCNVUFPK-UHFFFAOYSA-N 1 2 372.432 2.097 20 30 FEEDLO C[N@@H+]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)C(C)(C)C1 ZINC000409576220 558704387 /nfs/dbraw/zinc/70/43/87/558704387.db2.gz NGMJJPLPRCPPSV-UHFFFAOYSA-N 1 2 361.389 2.292 20 30 FEEDLO C[N@H+]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)C(C)(C)C1 ZINC000409576220 558704389 /nfs/dbraw/zinc/70/43/89/558704389.db2.gz NGMJJPLPRCPPSV-UHFFFAOYSA-N 1 2 361.389 2.292 20 30 FEEDLO C=CCN1CC[C@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)C1=O ZINC000410177202 558744151 /nfs/dbraw/zinc/74/41/51/558744151.db2.gz CAXXYFMFSSHKHF-RBUKOAKNSA-N 1 2 373.472 2.426 20 30 FEEDLO C=CCN1CC[C@H](N(C)C(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)C1=O ZINC000410177202 558744154 /nfs/dbraw/zinc/74/41/54/558744154.db2.gz CAXXYFMFSSHKHF-RBUKOAKNSA-N 1 2 373.472 2.426 20 30 FEEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H](C)C(=O)NC(=O)NCC(C)C ZINC000411191191 558851262 /nfs/dbraw/zinc/85/12/62/558851262.db2.gz IZBJAIPITIIANJ-CQSZACIVSA-N 1 2 362.430 2.453 20 30 FEEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@H](C)C(=O)NC(=O)NCC(C)C ZINC000411191191 558851263 /nfs/dbraw/zinc/85/12/63/558851263.db2.gz IZBJAIPITIIANJ-CQSZACIVSA-N 1 2 362.430 2.453 20 30 FEEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000411199006 558852168 /nfs/dbraw/zinc/85/21/68/558852168.db2.gz YMARUKYLLRYAMW-QGZVFWFLSA-N 1 2 355.398 2.122 20 30 FEEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000411199006 558852169 /nfs/dbraw/zinc/85/21/69/558852169.db2.gz YMARUKYLLRYAMW-QGZVFWFLSA-N 1 2 355.398 2.122 20 30 FEEDLO CCO[C@@H]1C[C@]([NH2+]CCC(=O)Nc2cccc(C#N)c2)(C(=O)OC)C1(C)C ZINC000411621707 558930684 /nfs/dbraw/zinc/93/06/84/558930684.db2.gz XRJYVOGUMOWCST-UZLBHIALSA-N 1 2 373.453 2.223 20 30 FEEDLO CN(Cc1nnc(-c2cccc(C#N)c2)o1)C(C)(C)C[NH+]1CCOCC1 ZINC000412091068 559012632 /nfs/dbraw/zinc/01/26/32/559012632.db2.gz LGFPHJHBTSUGQA-UHFFFAOYSA-N 1 2 355.442 2.151 20 30 FEEDLO COc1ccccc1/C=C/C[NH+]1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC000526074215 562266088 /nfs/dbraw/zinc/26/60/88/562266088.db2.gz NXJVPGYYGFTJPV-SOFGYWHQSA-N 1 2 351.454 2.444 20 30 FEEDLO COc1cc(CNc2cc(N3CC[C@H]([C@@H](C)O)C3)nc[nH+]2)ccc1C#N ZINC000413318251 559098442 /nfs/dbraw/zinc/09/84/42/559098442.db2.gz ZVOAOSZFPQVMEL-CJNGLKHVSA-N 1 2 353.426 2.176 20 30 FEEDLO COc1cc(CNc2cc(N3CC[C@H]([C@@H](C)O)C3)[nH+]cn2)ccc1C#N ZINC000413318251 559098443 /nfs/dbraw/zinc/09/84/43/559098443.db2.gz ZVOAOSZFPQVMEL-CJNGLKHVSA-N 1 2 353.426 2.176 20 30 FEEDLO CCN(CCC#N)S(=O)(=O)NCc1ccc2c(c1)[nH+]c(C)n2C1CC1 ZINC000416479467 559316367 /nfs/dbraw/zinc/31/63/67/559316367.db2.gz JTYBZAUDCJLHIS-UHFFFAOYSA-N 1 2 361.471 2.250 20 30 FEEDLO CO[C@H](CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)CC(C)C ZINC000416749213 559331082 /nfs/dbraw/zinc/33/10/82/559331082.db2.gz OEVKJSCPMWUCSR-IBGZPJMESA-N 1 2 358.486 2.447 20 30 FEEDLO C=C(C)Cn1c(-c2ncccn2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000417499819 559364813 /nfs/dbraw/zinc/36/48/13/559364813.db2.gz HZDZAUBENYZOFW-UHFFFAOYSA-N 1 2 362.441 2.033 20 30 FEEDLO CC[C@@H]1C[C@@H](NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCO1 ZINC000420883965 559509284 /nfs/dbraw/zinc/50/92/84/559509284.db2.gz APGBYUKWUMBKRS-RBUKOAKNSA-N 1 2 356.470 2.343 20 30 FEEDLO CC(=O)N[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2S[C@@H](C)CC#N)C1 ZINC000420947011 559513531 /nfs/dbraw/zinc/51/35/31/559513531.db2.gz CJFMNULJMCXWKB-ZFWWWQNUSA-N 1 2 360.483 2.230 20 30 FEEDLO CC(=O)N[C@H]1CC[N@H+](CC(=O)Nc2ccccc2S[C@@H](C)CC#N)C1 ZINC000420947011 559513532 /nfs/dbraw/zinc/51/35/32/559513532.db2.gz CJFMNULJMCXWKB-ZFWWWQNUSA-N 1 2 360.483 2.230 20 30 FEEDLO C=C(C)C(C)(C)C(=O)Nc1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC000424591595 559670350 /nfs/dbraw/zinc/67/03/50/559670350.db2.gz AHYHIRKDGVMRRJ-UHFFFAOYSA-N 1 2 365.499 2.164 20 30 FEEDLO C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000425084345 559686652 /nfs/dbraw/zinc/68/66/52/559686652.db2.gz JPMZVPWZQKMGKO-DOMZBBRYSA-N 1 2 355.360 2.277 20 30 FEEDLO C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000425084345 559686653 /nfs/dbraw/zinc/68/66/53/559686653.db2.gz JPMZVPWZQKMGKO-DOMZBBRYSA-N 1 2 355.360 2.277 20 30 FEEDLO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000425378619 559698669 /nfs/dbraw/zinc/69/86/69/559698669.db2.gz BOZBIYRHBCMKIU-HNNXBMFYSA-N 1 2 365.437 2.138 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000425385946 559699301 /nfs/dbraw/zinc/69/93/01/559699301.db2.gz OGRYMDCZIWHNNP-JYJNAYRXSA-N 1 2 365.499 2.012 20 30 FEEDLO C=CCn1cc(CNC(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)nn1 ZINC000425412483 559701006 /nfs/dbraw/zinc/70/10/06/559701006.db2.gz BNHAKNFHDUINSO-UHFFFAOYSA-N 1 2 369.473 2.239 20 30 FEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H](C)[C@H]1C(=O)OC(C)(C)C ZINC000425527224 559707895 /nfs/dbraw/zinc/70/78/95/559707895.db2.gz ZIOPECPHYQFNBZ-INMHGKMJSA-N 1 2 351.491 2.437 20 30 FEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H](C)[C@H]1C(=O)OC(C)(C)C ZINC000425527224 559707896 /nfs/dbraw/zinc/70/78/96/559707896.db2.gz ZIOPECPHYQFNBZ-INMHGKMJSA-N 1 2 351.491 2.437 20 30 FEEDLO CC(C)Cn1cc[nH+]c1CNC(=O)C(=O)N(C)[C@@H](C)c1cccc(C#N)c1 ZINC000425882551 559723899 /nfs/dbraw/zinc/72/38/99/559723899.db2.gz IJAWIZHALQZBLP-HNNXBMFYSA-N 1 2 367.453 2.247 20 30 FEEDLO C[C@H]1CCCCN1C(=O)C[NH+]1CCN(Cc2cccc(F)c2C#N)CC1 ZINC000428464279 559775936 /nfs/dbraw/zinc/77/59/36/559775936.db2.gz PKNHGXJCIKNVFN-INIZCTEOSA-N 1 2 358.461 2.216 20 30 FEEDLO COc1ccccc1[C@@H](CNS(=O)(=O)c1ccc(C#N)s1)[NH+](C)C ZINC000435438335 559923098 /nfs/dbraw/zinc/92/30/98/559923098.db2.gz ODCQTDMRXCFUGE-CQSZACIVSA-N 1 2 365.480 2.210 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)NCc2ccc(N3CCCCC3)[nH+]c2)s1 ZINC000435441981 559923274 /nfs/dbraw/zinc/92/32/74/559923274.db2.gz FUALTEPIDNZZCS-UHFFFAOYSA-N 1 2 362.480 2.484 20 30 FEEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)C[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000437525154 559965646 /nfs/dbraw/zinc/96/56/46/559965646.db2.gz OMQKKUGGBMGPHI-HRAATJIYSA-N 1 2 374.481 2.159 20 30 FEEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)C[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000437525154 559965647 /nfs/dbraw/zinc/96/56/47/559965647.db2.gz OMQKKUGGBMGPHI-HRAATJIYSA-N 1 2 374.481 2.159 20 30 FEEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000438001410 559972798 /nfs/dbraw/zinc/97/27/98/559972798.db2.gz ITGKGFXLGRSLNI-UYAOXDASSA-N 1 2 373.497 2.374 20 30 FEEDLO COc1cc(OC)c2ncc(C#N)c(N[C@@H](C)C[NH+]3CCOCC3)c2c1 ZINC000439101047 559988584 /nfs/dbraw/zinc/98/85/84/559988584.db2.gz PGNLBMPQGGATGC-ZDUSSCGKSA-N 1 2 356.426 2.256 20 30 FEEDLO C=CCCC[C@@H](C)[NH+]1CCC(NS(=O)(=O)NCC(F)(F)F)CC1 ZINC000439290056 559991531 /nfs/dbraw/zinc/99/15/31/559991531.db2.gz SLWHANAHEPIHHT-GFCCVEGCSA-N 1 2 357.442 2.182 20 30 FEEDLO CC(C)(C)OC(=O)C[NH2+][C@@]1(C)CCN(C(=O)Nc2cccc(C#N)c2)C1 ZINC000441265666 560027526 /nfs/dbraw/zinc/02/75/26/560027526.db2.gz MKLYHXOVFWAXCM-IBGZPJMESA-N 1 2 358.442 2.486 20 30 FEEDLO COc1cc(C#N)ccc1NC(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C)n2C ZINC000527433128 562287878 /nfs/dbraw/zinc/28/78/78/562287878.db2.gz LYVDYIRQUUHRNX-UHFFFAOYSA-N 1 2 363.377 2.339 20 30 FEEDLO CC(C)(C)OC(=O)C[NH2+][C@]1(C)CCN(C(=O)c2ccc(CC#N)cc2)C1 ZINC000442814078 560058034 /nfs/dbraw/zinc/05/80/34/560058034.db2.gz CKYHGBWAKYNXPC-HXUWFJFHSA-N 1 2 357.454 2.289 20 30 FEEDLO N#Cc1cccnc1OC1CCC(NC(=O)NCCCn2cc[nH+]c2)CC1 ZINC000445557125 560132920 /nfs/dbraw/zinc/13/29/20/560132920.db2.gz JVACHOCSEDLFBZ-UHFFFAOYSA-N 1 2 368.441 2.229 20 30 FEEDLO C[C@H]1C[N@@H+]([C@H](CNC(=O)c2ccc(C#N)n2C)c2cccs2)CCO1 ZINC000450047884 560249116 /nfs/dbraw/zinc/24/91/16/560249116.db2.gz WFIICELPYCKVHB-XJKSGUPXSA-N 1 2 358.467 2.150 20 30 FEEDLO C[C@H]1C[N@H+]([C@H](CNC(=O)c2ccc(C#N)n2C)c2cccs2)CCO1 ZINC000450047884 560249117 /nfs/dbraw/zinc/24/91/17/560249117.db2.gz WFIICELPYCKVHB-XJKSGUPXSA-N 1 2 358.467 2.150 20 30 FEEDLO C=CC[N@H+](Cc1cn(CC2CC2)nn1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000450393226 560261101 /nfs/dbraw/zinc/26/11/01/560261101.db2.gz OMFBJNDIDFNVLR-OAHLLOKOSA-N 1 2 364.457 2.413 20 30 FEEDLO C=CC[N@@H+](Cc1cn(CC2CC2)nn1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000450393226 560261102 /nfs/dbraw/zinc/26/11/02/560261102.db2.gz OMFBJNDIDFNVLR-OAHLLOKOSA-N 1 2 364.457 2.413 20 30 FEEDLO N#Cc1ccc(NC(=O)C[N@@H+]2C[C@H](c3ccccc3)[C@@](F)(CO)C2)cc1 ZINC000451257582 560296259 /nfs/dbraw/zinc/29/62/59/560296259.db2.gz GLDGSNXNFWWRRV-QUCCMNQESA-N 1 2 353.397 2.297 20 30 FEEDLO N#Cc1ccc(NC(=O)C[N@H+]2C[C@H](c3ccccc3)[C@@](F)(CO)C2)cc1 ZINC000451257582 560296260 /nfs/dbraw/zinc/29/62/60/560296260.db2.gz GLDGSNXNFWWRRV-QUCCMNQESA-N 1 2 353.397 2.297 20 30 FEEDLO O=C(NCC(F)F)[C@@H]1CCCC[N@@H+]1CCOCC(F)(F)C(F)(F)F ZINC000451804524 560329648 /nfs/dbraw/zinc/32/96/48/560329648.db2.gz VGLODQLVJOSRJN-VIFPVBQESA-N 1 2 368.293 2.436 20 30 FEEDLO O=C(NCC(F)F)[C@@H]1CCCC[N@H+]1CCOCC(F)(F)C(F)(F)F ZINC000451804524 560329649 /nfs/dbraw/zinc/32/96/49/560329649.db2.gz VGLODQLVJOSRJN-VIFPVBQESA-N 1 2 368.293 2.436 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCN(CC(F)(F)F)C[C@@H](C)C1 ZINC000451877725 560333877 /nfs/dbraw/zinc/33/38/77/560333877.db2.gz JXTCJVWNMYTNLB-FMKPAKJESA-N 1 2 362.440 2.245 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCN(CC(F)(F)F)C[C@@H](C)C1 ZINC000451877725 560333878 /nfs/dbraw/zinc/33/38/78/560333878.db2.gz JXTCJVWNMYTNLB-FMKPAKJESA-N 1 2 362.440 2.245 20 30 FEEDLO C[C@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)CCN1C(=O)c1cnn(C)c1 ZINC000452050687 560348073 /nfs/dbraw/zinc/34/80/73/560348073.db2.gz KLIHHIMPMNVAJF-HNNXBMFYSA-N 1 2 356.857 2.272 20 30 FEEDLO C[C@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)CCN1C(=O)c1cnn(C)c1 ZINC000452050687 560348074 /nfs/dbraw/zinc/34/80/74/560348074.db2.gz KLIHHIMPMNVAJF-HNNXBMFYSA-N 1 2 356.857 2.272 20 30 FEEDLO Cc1cc(C#N)cc(NC(=O)C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000453659945 560394255 /nfs/dbraw/zinc/39/42/55/560394255.db2.gz DYUBCMDNVBJZGB-PBHICJAKSA-N 1 2 351.410 2.111 20 30 FEEDLO C=CC(C)(C)CNC(=O)NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000454505856 560447375 /nfs/dbraw/zinc/44/73/75/560447375.db2.gz YDMKSIDKIDXOKP-UHFFFAOYSA-N 1 2 364.534 2.222 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCC3(CF)CCOCC3)CC2)cc1 ZINC000455382264 560480291 /nfs/dbraw/zinc/48/02/91/560480291.db2.gz QOUOQFCBXOGZJL-UHFFFAOYSA-N 1 2 374.460 2.152 20 30 FEEDLO N#Cc1ccc(CNC(=O)N2CC[NH+](Cc3ccccn3)CC2)cc1F ZINC000455547879 560486692 /nfs/dbraw/zinc/48/66/92/560486692.db2.gz SJURDYNLPNZCOO-UHFFFAOYSA-N 1 2 353.401 2.120 20 30 FEEDLO C=CCC[C@@H](CO)NC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(OC)cc1 ZINC000457554350 560574326 /nfs/dbraw/zinc/57/43/26/560574326.db2.gz FEUSUUQIVBLKLO-DOTOQJQBSA-N 1 2 358.442 2.144 20 30 FEEDLO C=CCC(C)(C)CNC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000458097717 560603019 /nfs/dbraw/zinc/60/30/19/560603019.db2.gz CUCNXULWKMJRBF-UHFFFAOYSA-N 1 2 373.501 2.022 20 30 FEEDLO C=CCC[C@H](CO)NC(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000458691243 560640944 /nfs/dbraw/zinc/64/09/44/560640944.db2.gz OUWUWZSYNOQSPH-OAHLLOKOSA-N 1 2 351.878 2.324 20 30 FEEDLO C=CCC[C@H](CO)NC(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000458691243 560640945 /nfs/dbraw/zinc/64/09/45/560640945.db2.gz OUWUWZSYNOQSPH-OAHLLOKOSA-N 1 2 351.878 2.324 20 30 FEEDLO C[C@H]1CN(Cc2c(C#N)cccc2[N+](=O)[O-])CC[N@H+]1C1CC[NH+](C)CC1 ZINC000459376168 560683236 /nfs/dbraw/zinc/68/32/36/560683236.db2.gz QZDMPTPHUJDQIJ-HNNXBMFYSA-N 1 2 357.458 2.067 20 30 FEEDLO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000464514217 560844138 /nfs/dbraw/zinc/84/41/38/560844138.db2.gz GCYPIQUYCGJTGZ-VQIMIIECSA-N 1 2 359.470 2.141 20 30 FEEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000465888675 560875149 /nfs/dbraw/zinc/87/51/49/560875149.db2.gz DRKQOWSPAZELTO-NEWSRXKRSA-N 1 2 356.470 2.188 20 30 FEEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000465888675 560875150 /nfs/dbraw/zinc/87/51/50/560875150.db2.gz DRKQOWSPAZELTO-NEWSRXKRSA-N 1 2 356.470 2.188 20 30 FEEDLO CCOC(=O)c1sc([C@H](C)[NH2+][C@H](C)C(=O)NC2(C#N)CCC2)nc1C ZINC000468773707 560938515 /nfs/dbraw/zinc/93/85/15/560938515.db2.gz AUZBCMUNIQXZFO-NEPJUHHUSA-N 1 2 364.471 2.230 20 30 FEEDLO CC[C@H]1C[N@H+](CC(=O)N(C)C2(C#N)CCCCC2)[C@@H](CC)CN1C(C)=O ZINC000472352796 561025003 /nfs/dbraw/zinc/02/50/03/561025003.db2.gz VKVSZRAHKAWARG-ROUUACIJSA-N 1 2 362.518 2.393 20 30 FEEDLO CC[C@H]1C[N@@H+](CC(=O)N(C)C2(C#N)CCCCC2)[C@@H](CC)CN1C(C)=O ZINC000472352796 561025004 /nfs/dbraw/zinc/02/50/04/561025004.db2.gz VKVSZRAHKAWARG-ROUUACIJSA-N 1 2 362.518 2.393 20 30 FEEDLO C=CCCCCNC(=O)N1CC[NH+](CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000472852483 561036312 /nfs/dbraw/zinc/03/63/12/561036312.db2.gz MRFQSTANUQFABW-KRWDZBQOSA-N 1 2 350.507 2.071 20 30 FEEDLO C=C(C)COCCNC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000474797954 561083187 /nfs/dbraw/zinc/08/31/87/561083187.db2.gz IBFVDMBISMGIEW-IBGZPJMESA-N 1 2 361.486 2.260 20 30 FEEDLO C[C@@H](c1cccnc1)[NH+]1CCN(C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000528385575 562326255 /nfs/dbraw/zinc/32/62/55/562326255.db2.gz CQKMGYWSMASMQF-FXAWDEMLSA-N 1 2 366.465 2.072 20 30 FEEDLO CC1(C)C[N@H+](C[C@@H](O)COc2ccccc2C#N)C[C@H](C(F)(F)F)O1 ZINC000528511649 562333477 /nfs/dbraw/zinc/33/34/77/562333477.db2.gz GGVUGVNYKDHFKX-UKRRQHHQSA-N 1 2 358.360 2.340 20 30 FEEDLO CC1(C)C[N@@H+](C[C@@H](O)COc2ccccc2C#N)C[C@H](C(F)(F)F)O1 ZINC000528511649 562333478 /nfs/dbraw/zinc/33/34/78/562333478.db2.gz GGVUGVNYKDHFKX-UKRRQHHQSA-N 1 2 358.360 2.340 20 30 FEEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)cc1Cl ZINC000528783876 562347432 /nfs/dbraw/zinc/34/74/32/562347432.db2.gz IEUKXEQVFXXWNQ-XXAQJILISA-N 1 2 351.859 2.136 20 30 FEEDLO N#Cc1ccc(NC(=O)C[N@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)cc1Cl ZINC000528783876 562347433 /nfs/dbraw/zinc/34/74/33/562347433.db2.gz IEUKXEQVFXXWNQ-XXAQJILISA-N 1 2 351.859 2.136 20 30 FEEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000528787469 562347856 /nfs/dbraw/zinc/34/78/56/562347856.db2.gz MXOFSVYKNYLSKW-XMQCVEROSA-N 1 2 351.859 2.136 20 30 FEEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000528787469 562347857 /nfs/dbraw/zinc/34/78/57/562347857.db2.gz MXOFSVYKNYLSKW-XMQCVEROSA-N 1 2 351.859 2.136 20 30 FEEDLO CCN1CCN(C(=O)Nc2ccc(COC)c(C#N)c2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000529210136 562364835 /nfs/dbraw/zinc/36/48/35/562364835.db2.gz GMCXMPULRHOKGY-QGZVFWFLSA-N 1 2 368.441 2.338 20 30 FEEDLO N#Cc1ccc(C2(NC(=O)[C@@H]3CCn4cc[nH+]c4C3)CCOCC2)cc1 ZINC000530059839 562396408 /nfs/dbraw/zinc/39/64/08/562396408.db2.gz PMZXYBAEIDOURU-MRXNPFEDSA-N 1 2 350.422 2.139 20 30 FEEDLO N#Cc1cccc(CC(=O)Nc2ccc3[nH]c(N4CCOCC4)[nH+]c3c2)c1 ZINC000530680359 562420401 /nfs/dbraw/zinc/42/04/01/562420401.db2.gz WLYIOQAOYVCUEJ-UHFFFAOYSA-N 1 2 361.405 2.452 20 30 FEEDLO N#Cc1cccc(CNC(=O)C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC000534514957 562535631 /nfs/dbraw/zinc/53/56/31/562535631.db2.gz PQUYVCFFFDKGEJ-UHFFFAOYSA-N 1 2 350.378 2.141 20 30 FEEDLO N#Cc1cccc(CNC(=O)C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC000534514957 562535632 /nfs/dbraw/zinc/53/56/32/562535632.db2.gz PQUYVCFFFDKGEJ-UHFFFAOYSA-N 1 2 350.378 2.141 20 30 FEEDLO N#CCN(C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1)C1CCCC1 ZINC000549763136 562639243 /nfs/dbraw/zinc/63/92/43/562639243.db2.gz HPBYFFUIWRFOKD-SFHVURJKSA-N 1 2 371.485 2.312 20 30 FEEDLO N#CCN(C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1)C1CCCC1 ZINC000549763136 562639244 /nfs/dbraw/zinc/63/92/44/562639244.db2.gz HPBYFFUIWRFOKD-SFHVURJKSA-N 1 2 371.485 2.312 20 30 FEEDLO C[C@H](OCCCNC(=O)C[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1)c1ccccc1 ZINC000602854343 568001870 /nfs/dbraw/zinc/00/18/70/568001870.db2.gz BTJDFUNUPTZWBG-FHWLQOOXSA-N 1 2 372.513 2.189 20 30 FEEDLO C[C@H](OCCCNC(=O)C[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1)c1ccccc1 ZINC000602854410 568001953 /nfs/dbraw/zinc/00/19/53/568001953.db2.gz BTJDFUNUPTZWBG-QRVBRYPASA-N 1 2 372.513 2.189 20 30 FEEDLO CCOc1ccc(NC(=O)C[N@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)cc1OCC ZINC000602854533 568002110 /nfs/dbraw/zinc/00/21/10/568002110.db2.gz BTAIOLBDEQXWGO-IYBDPMFKSA-N 1 2 374.485 2.341 20 30 FEEDLO CCOc1ccc(NC(=O)C[N@@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)cc1OCC ZINC000602854533 568002111 /nfs/dbraw/zinc/00/21/11/568002111.db2.gz BTAIOLBDEQXWGO-IYBDPMFKSA-N 1 2 374.485 2.341 20 30 FEEDLO C=CCCn1cc(C[N@H+]2CC[C@](COC)(C(=O)OC(C)(C)C)C2)nn1 ZINC000602736773 568026170 /nfs/dbraw/zinc/02/61/70/568026170.db2.gz QCGDLTIOCUESGF-SFHVURJKSA-N 1 2 350.463 2.034 20 30 FEEDLO C=CCCn1cc(C[N@@H+]2CC[C@](COC)(C(=O)OC(C)(C)C)C2)nn1 ZINC000602736773 568026172 /nfs/dbraw/zinc/02/61/72/568026172.db2.gz QCGDLTIOCUESGF-SFHVURJKSA-N 1 2 350.463 2.034 20 30 FEEDLO C[N@H+](CC(=O)NCc1ccc(C(=O)N2CCCC2)cc1)[C@H]1CCC[C@H]1C#N ZINC000602975380 568035810 /nfs/dbraw/zinc/03/58/10/568035810.db2.gz AETOOMGBNMPNOO-OALUTQOASA-N 1 2 368.481 2.163 20 30 FEEDLO C[N@@H+](CC(=O)NCc1ccc(C(=O)N2CCCC2)cc1)[C@H]1CCC[C@H]1C#N ZINC000602975380 568035811 /nfs/dbraw/zinc/03/58/11/568035811.db2.gz AETOOMGBNMPNOO-OALUTQOASA-N 1 2 368.481 2.163 20 30 FEEDLO C[N@H+](CC(=O)N1CCC(C(=O)N2CCCCCC2)CC1)[C@@H]1CCC[C@@H]1C#N ZINC000602976163 568036048 /nfs/dbraw/zinc/03/60/48/568036048.db2.gz MBCYUIDXSFRBMI-RTBURBONSA-N 1 2 374.529 2.252 20 30 FEEDLO C[N@@H+](CC(=O)N1CCC(C(=O)N2CCCCCC2)CC1)[C@@H]1CCC[C@@H]1C#N ZINC000602976163 568036050 /nfs/dbraw/zinc/03/60/50/568036050.db2.gz MBCYUIDXSFRBMI-RTBURBONSA-N 1 2 374.529 2.252 20 30 FEEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC(Cc2nnc(C(C)C)[nH]2)CC1 ZINC000602860855 568049470 /nfs/dbraw/zinc/04/94/70/568049470.db2.gz GULKEZUPSGMDFN-HNNXBMFYSA-N 1 2 360.506 2.191 20 30 FEEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC(Cc2n[nH]c(C(C)C)n2)CC1 ZINC000602860855 568049471 /nfs/dbraw/zinc/04/94/71/568049471.db2.gz GULKEZUPSGMDFN-HNNXBMFYSA-N 1 2 360.506 2.191 20 30 FEEDLO C[C@@H](CC#N)[NH2+]CC(=O)N(C)CCOc1ccc(Br)cc1 ZINC000602862916 568049983 /nfs/dbraw/zinc/04/99/83/568049983.db2.gz KWKCQTFVIJXJFB-LBPRGKRZSA-N 1 2 354.248 2.178 20 30 FEEDLO C[C@@H]1CN(C(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)C[C@@H](C)N1CC#N ZINC000603089502 568059570 /nfs/dbraw/zinc/05/95/70/568059570.db2.gz KCYKRMFCODZAQY-JFIYKMOQSA-N 1 2 351.454 2.376 20 30 FEEDLO CN1CCO[C@@H]2C[N@H+](CC(=O)NCc3ccccc3OC3CCCC3)C[C@H]21 ZINC000330280732 568098952 /nfs/dbraw/zinc/09/89/52/568098952.db2.gz SWSWNZSLFCSJMV-UYAOXDASSA-N 1 2 373.497 2.479 20 30 FEEDLO CN1CCO[C@@H]2C[N@@H+](CC(=O)NCc3ccccc3OC3CCCC3)C[C@H]21 ZINC000330280732 568098953 /nfs/dbraw/zinc/09/89/53/568098953.db2.gz SWSWNZSLFCSJMV-UYAOXDASSA-N 1 2 373.497 2.479 20 30 FEEDLO C[N@@H+]1CCO[C@@H]2CN(CC(=O)NCc3ccccc3OC3CCCC3)C[C@H]21 ZINC000330280732 568098954 /nfs/dbraw/zinc/09/89/54/568098954.db2.gz SWSWNZSLFCSJMV-UYAOXDASSA-N 1 2 373.497 2.479 20 30 FEEDLO C[N@H+]1CCO[C@@H]2CN(CC(=O)NCc3ccccc3OC3CCCC3)C[C@H]21 ZINC000330280732 568098955 /nfs/dbraw/zinc/09/89/55/568098955.db2.gz SWSWNZSLFCSJMV-UYAOXDASSA-N 1 2 373.497 2.479 20 30 FEEDLO Cc1ccc(Cl)c(OCC(=O)N(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000603925559 568182334 /nfs/dbraw/zinc/18/23/34/568182334.db2.gz XZNZBKSWZNZJRB-UHFFFAOYSA-N 1 2 365.861 2.102 20 30 FEEDLO N#Cc1cc(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)ccc1-c1nn[nH]n1 ZINC000737709229 599194842 /nfs/dbraw/zinc/19/48/42/599194842.db2.gz LTVHBYJKWDISPJ-UHFFFAOYSA-N 1 2 370.376 2.235 20 30 FEEDLO C#CC[N@@H+](CC)[C@@H](C)C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCCC2 ZINC000819698398 606074750 /nfs/dbraw/zinc/07/47/50/606074750.db2.gz YLKULVOYLSVWDR-LBPRGKRZSA-N 1 2 372.498 2.479 20 30 FEEDLO C#CC[N@H+](CC)[C@@H](C)C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCCC2 ZINC000819698398 606074754 /nfs/dbraw/zinc/07/47/54/606074754.db2.gz YLKULVOYLSVWDR-LBPRGKRZSA-N 1 2 372.498 2.479 20 30 FEEDLO C[C@@H]1CN(c2ccc(C(F)(F)F)cc2)C[C@H](C)[N@H+]1CC(=O)NCC#N ZINC000564155884 674978821 /nfs/dbraw/zinc/97/88/21/674978821.db2.gz DYAZROVUFGTGHM-BETUJISGSA-N 1 2 354.376 2.244 20 30 FEEDLO C[C@@H]1CN(c2ccc(C(F)(F)F)cc2)C[C@H](C)[N@@H+]1CC(=O)NCC#N ZINC000564155884 674978827 /nfs/dbraw/zinc/97/88/27/674978827.db2.gz DYAZROVUFGTGHM-BETUJISGSA-N 1 2 354.376 2.244 20 30 FEEDLO C#CCC[NH+]1CCN(S(=O)(=O)Cc2ccccc2C(F)(F)F)CC1 ZINC000113283170 670883218 /nfs/dbraw/zinc/88/32/18/670883218.db2.gz HARUSTGXWDULAU-UHFFFAOYSA-N 1 2 360.401 2.176 20 30 FEEDLO Cn1cc(C[NH+]2CCN(c3cccc(Br)c3C#N)CC2)cn1 ZINC000576510773 671373862 /nfs/dbraw/zinc/37/38/62/671373862.db2.gz KMLPQAHAWFADDQ-UHFFFAOYSA-N 1 2 360.259 2.376 20 30 FEEDLO C[N@@H+]1CC[C@H](NS(=O)(=O)CC2(C#N)CCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000578063459 671637671 /nfs/dbraw/zinc/63/76/71/671637671.db2.gz LMUSIHYFQOJVJH-HOTGVXAUSA-N 1 2 369.437 2.323 20 30 FEEDLO C[N@H+]1CC[C@H](NS(=O)(=O)CC2(C#N)CCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000578063459 671637672 /nfs/dbraw/zinc/63/76/72/671637672.db2.gz LMUSIHYFQOJVJH-HOTGVXAUSA-N 1 2 369.437 2.323 20 30 FEEDLO C[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)c1nc2c(s1)CCC2 ZINC000581711769 671928301 /nfs/dbraw/zinc/92/83/01/671928301.db2.gz GVOSRRGVPOIDIC-NSHDSACASA-N 1 2 362.480 2.023 20 30 FEEDLO CC[N@@H+]1CCN(S(=O)(=O)c2cccc(Br)c2C#N)C[C@H]1C ZINC000588120729 672451255 /nfs/dbraw/zinc/45/12/55/672451255.db2.gz MDWWOJKBGJENPV-LLVKDONJSA-N 1 2 372.288 2.035 20 30 FEEDLO CC[N@H+]1CCN(S(=O)(=O)c2cccc(Br)c2C#N)C[C@H]1C ZINC000588120729 672451259 /nfs/dbraw/zinc/45/12/59/672451259.db2.gz MDWWOJKBGJENPV-LLVKDONJSA-N 1 2 372.288 2.035 20 30 FEEDLO N#CC[C@@]1(O)CC[N@H+](CC(=O)NCCc2cccc(Cl)c2Cl)C1 ZINC000592149449 672764358 /nfs/dbraw/zinc/76/43/58/672764358.db2.gz PIIREYQSUKNLPG-MRXNPFEDSA-N 1 2 356.253 2.003 20 30 FEEDLO N#CC[C@@]1(O)CC[N@@H+](CC(=O)NCCc2cccc(Cl)c2Cl)C1 ZINC000592149449 672764361 /nfs/dbraw/zinc/76/43/61/672764361.db2.gz PIIREYQSUKNLPG-MRXNPFEDSA-N 1 2 356.253 2.003 20 30 FEEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)CCC(=O)N1CCc2sccc2C1 ZINC000329100532 673071882 /nfs/dbraw/zinc/07/18/82/673071882.db2.gz MOMJWOFJNLBTME-AWEZNQCLSA-N 1 2 365.499 2.090 20 30 FEEDLO C[C@H]1COCC[N@H+]1CCNC(=O)CCC(=O)N1CCc2sccc2C1 ZINC000329100532 673071887 /nfs/dbraw/zinc/07/18/87/673071887.db2.gz MOMJWOFJNLBTME-AWEZNQCLSA-N 1 2 365.499 2.090 20 30 FEEDLO Cc1nc([C@H](C)NC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)cs1 ZINC000329147933 673073083 /nfs/dbraw/zinc/07/30/83/673073083.db2.gz BBVWPGNWCGZYOS-BLLLJJGKSA-N 1 2 370.544 2.224 20 30 FEEDLO CCn1cc(NC(=S)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cn1 ZINC000726124161 673106958 /nfs/dbraw/zinc/10/69/58/673106958.db2.gz UKDKVPJUOJWFKX-UHFFFAOYSA-N 1 2 354.483 2.289 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)NC[C@@H]2CC[N@@H+]2Cc2ccccc2)c(F)c1 ZINC000595391999 673240602 /nfs/dbraw/zinc/24/06/02/673240602.db2.gz DVIJTXXDJHXIMG-INIZCTEOSA-N 1 2 359.426 2.250 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)NC[C@@H]2CC[N@H+]2Cc2ccccc2)c(F)c1 ZINC000595391999 673240605 /nfs/dbraw/zinc/24/06/05/673240605.db2.gz DVIJTXXDJHXIMG-INIZCTEOSA-N 1 2 359.426 2.250 20 30 FEEDLO Cc1cc(S(=O)(=O)NC[C@@H]2CC[N@@H+]2Cc2ccccc2)ccc1C#N ZINC000595394385 673241199 /nfs/dbraw/zinc/24/11/99/673241199.db2.gz WJIGXXKOVCQHMO-SFHVURJKSA-N 1 2 355.463 2.420 20 30 FEEDLO Cc1cc(S(=O)(=O)NC[C@@H]2CC[N@H+]2Cc2ccccc2)ccc1C#N ZINC000595394385 673241200 /nfs/dbraw/zinc/24/12/00/673241200.db2.gz WJIGXXKOVCQHMO-SFHVURJKSA-N 1 2 355.463 2.420 20 30 FEEDLO CN(C(=O)C[NH2+][C@@H](CO)c1ccc(F)cc1F)C1(C#N)CCCCC1 ZINC000595867100 673332354 /nfs/dbraw/zinc/33/23/54/673332354.db2.gz LADUCGBBDBSRDD-INIZCTEOSA-N 1 2 351.397 2.273 20 30 FEEDLO N#CC1(CS(=O)(=O)N2CC[NH+](CCc3ccccc3)CC2)CCCC1 ZINC000546800366 673819626 /nfs/dbraw/zinc/81/96/26/673819626.db2.gz AIFAZKQNYIHDCL-UHFFFAOYSA-N 1 2 361.511 2.260 20 30 FEEDLO N#Cc1ccc(OCCNC(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)cc1 ZINC000602108225 673902541 /nfs/dbraw/zinc/90/25/41/673902541.db2.gz HQAOBZUCPUQNAH-AWEZNQCLSA-N 1 2 352.316 2.443 20 30 FEEDLO C[N@H+]1Cc2ccccc2[C@H](NS(=O)(=O)Cc2ccc(C#N)cc2F)C1 ZINC000616425992 676249759 /nfs/dbraw/zinc/24/97/59/676249759.db2.gz ZIGABSBZIRPTKT-GOSISDBHSA-N 1 2 359.426 2.303 20 30 FEEDLO C[N@@H+]1Cc2ccccc2[C@H](NS(=O)(=O)Cc2ccc(C#N)cc2F)C1 ZINC000616425992 676249760 /nfs/dbraw/zinc/24/97/60/676249760.db2.gz ZIGABSBZIRPTKT-GOSISDBHSA-N 1 2 359.426 2.303 20 30 FEEDLO N#Cc1cc(F)c(S(=O)(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)c(F)c1 ZINC000618068243 676318313 /nfs/dbraw/zinc/31/83/13/676318313.db2.gz KAURGWKPAZIGBQ-CYBMUJFWSA-N 1 2 355.410 2.132 20 30 FEEDLO N#Cc1cc(F)c(S(=O)(=O)NC[C@H]2CCCC[N@H+]2C2CC2)c(F)c1 ZINC000618068243 676318315 /nfs/dbraw/zinc/31/83/15/676318315.db2.gz KAURGWKPAZIGBQ-CYBMUJFWSA-N 1 2 355.410 2.132 20 30 FEEDLO N#Cc1cc(S(=O)(=O)N2CC[NH+](CC3CC3)CC2)ccc1C(F)(F)F ZINC000619707737 676391504 /nfs/dbraw/zinc/39/15/04/676391504.db2.gz SXSYKBNHCOIVMC-UHFFFAOYSA-N 1 2 373.400 2.293 20 30 FEEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)nn1 ZINC000641107001 677194441 /nfs/dbraw/zinc/19/44/41/677194441.db2.gz DBAYKSPZIXLGJV-INIZCTEOSA-N 1 2 361.808 2.162 20 30 FEEDLO C=CC[C@H]1CCCN(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000660446999 678341293 /nfs/dbraw/zinc/34/12/93/678341293.db2.gz JZSXNHFLAKQEPN-FUHWJXTLSA-N 1 2 353.532 2.192 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H](C[N@@H+](C)Cc2nncs2)C1 ZINC001017129853 680069945 /nfs/dbraw/zinc/06/99/45/680069945.db2.gz GKXJKDGWNJZZKP-XHSDSOJGSA-N 1 2 364.515 2.190 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H](C[N@H+](C)Cc2nncs2)C1 ZINC001017129853 680069948 /nfs/dbraw/zinc/06/99/48/680069948.db2.gz GKXJKDGWNJZZKP-XHSDSOJGSA-N 1 2 364.515 2.190 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H](C[N@@H+](C)Cc2nncs2)C1 ZINC001017224506 680073889 /nfs/dbraw/zinc/07/38/89/680073889.db2.gz AFHISYCDNWBWID-VYDXJSESSA-N 1 2 364.515 2.190 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H](C[N@H+](C)Cc2nncs2)C1 ZINC001017224506 680073895 /nfs/dbraw/zinc/07/38/95/680073895.db2.gz AFHISYCDNWBWID-VYDXJSESSA-N 1 2 364.515 2.190 20 30 FEEDLO COC(=O)c1cc(N[NH+]=Cc2cnc(N3CCOCC3)s2)ccc1F ZINC000835011635 680286161 /nfs/dbraw/zinc/28/61/61/680286161.db2.gz MAXAHDYLTRJYNK-UHFFFAOYSA-N 1 2 364.402 2.351 20 30 FEEDLO N#Cc1c(Br)cccc1OCC(=O)O[C@H]1CC[N@@H+](CCF)C1 ZINC000835372136 680324609 /nfs/dbraw/zinc/32/46/09/680324609.db2.gz SCPNQPIQUUJMFC-NSHDSACASA-N 1 2 371.206 2.287 20 30 FEEDLO N#Cc1c(Br)cccc1OCC(=O)O[C@H]1CC[N@H+](CCF)C1 ZINC000835372136 680324613 /nfs/dbraw/zinc/32/46/13/680324613.db2.gz SCPNQPIQUUJMFC-NSHDSACASA-N 1 2 371.206 2.287 20 30 FEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@@H]([N@H+](C)Cc2cnns2)C1 ZINC001027607723 680361107 /nfs/dbraw/zinc/36/11/07/680361107.db2.gz DKBKWKGCAWXISZ-PVAVHDDUSA-N 1 2 364.515 2.332 20 30 FEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@@H]([N@@H+](C)Cc2cnns2)C1 ZINC001027607723 680361109 /nfs/dbraw/zinc/36/11/09/680361109.db2.gz DKBKWKGCAWXISZ-PVAVHDDUSA-N 1 2 364.515 2.332 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](Cc2nnc(C)s2)CC1 ZINC000997754480 680364913 /nfs/dbraw/zinc/36/49/13/680364913.db2.gz OAWGIKOBGFVZEA-MAZHCROVSA-N 1 2 364.515 2.154 20 30 FEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1OCCO[C@@H]1c1ccccc1 ZINC001027942611 680366036 /nfs/dbraw/zinc/36/60/36/680366036.db2.gz GGZSGUSIADOATK-KZNAEPCWSA-N 1 2 364.873 2.476 20 30 FEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1OCCO[C@@H]1c1ccccc1 ZINC001027942611 680366041 /nfs/dbraw/zinc/36/60/41/680366041.db2.gz GGZSGUSIADOATK-KZNAEPCWSA-N 1 2 364.873 2.476 20 30 FEEDLO C=C(Br)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2C2CCOCC2)C1 ZINC001033260333 680420821 /nfs/dbraw/zinc/42/08/21/680420821.db2.gz WQADUGXOQNTDFA-OWCLPIDISA-N 1 2 371.319 2.490 20 30 FEEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2C2CCOCC2)C1 ZINC001033260333 680420823 /nfs/dbraw/zinc/42/08/23/680420823.db2.gz WQADUGXOQNTDFA-OWCLPIDISA-N 1 2 371.319 2.490 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC1CC[NH+]([C@@H](C)c2nnc(C)s2)CC1 ZINC001002848441 680510605 /nfs/dbraw/zinc/51/06/05/680510605.db2.gz KLPCWRWZSIBYCI-MAZHCROVSA-N 1 2 364.515 2.469 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=S)NC[C@H]3CCCCO3)CC2)cc1 ZINC000758181273 680559633 /nfs/dbraw/zinc/55/96/33/680559633.db2.gz PXBHZKOIQZTFSL-GOSISDBHSA-N 1 2 358.511 2.119 20 30 FEEDLO Cc1ccn(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)c(=O)c1C#N ZINC000758180307 680559653 /nfs/dbraw/zinc/55/96/53/680559653.db2.gz BBWDWWABAQWGJQ-UHFFFAOYSA-N 1 2 356.857 2.457 20 30 FEEDLO C=C(Br)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2C[C@H]2c2ccnn2C)C1 ZINC001046499440 680649909 /nfs/dbraw/zinc/64/99/09/680649909.db2.gz UWKJSFNAXZQNHQ-IOASZLSFSA-N 1 2 367.291 2.013 20 30 FEEDLO C=C(Br)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2C[C@H]2c2ccnn2C)C1 ZINC001046499440 680649912 /nfs/dbraw/zinc/64/99/12/680649912.db2.gz UWKJSFNAXZQNHQ-IOASZLSFSA-N 1 2 367.291 2.013 20 30 FEEDLO CCn1c[nH+]cc1CNc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 ZINC000842211815 680932972 /nfs/dbraw/zinc/93/29/72/680932972.db2.gz XSZFKUHPJUYPHK-LVZFUZTISA-N 1 2 361.471 2.328 20 30 FEEDLO C#CC[C@@H]1CCC[N@@H+](Cn2nc(C(=O)OC)c(Br)c2C)C1 ZINC000842629878 680955901 /nfs/dbraw/zinc/95/59/01/680955901.db2.gz SNIWPVYVSHFZGV-GFCCVEGCSA-N 1 2 354.248 2.433 20 30 FEEDLO C#CC[C@@H]1CCC[N@H+](Cn2nc(C(=O)OC)c(Br)c2C)C1 ZINC000842629878 680955903 /nfs/dbraw/zinc/95/59/03/680955903.db2.gz SNIWPVYVSHFZGV-GFCCVEGCSA-N 1 2 354.248 2.433 20 30 FEEDLO CSCCNC(=S)N[NH+]=C(C)c1cccc(N2CCOCC2)c1 ZINC000769604931 680988748 /nfs/dbraw/zinc/98/87/48/680988748.db2.gz MIUFSRQOIOIDCH-UHFFFAOYSA-N 1 2 352.529 2.074 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2Cc1nnc(C)s1 ZINC001049733629 681038041 /nfs/dbraw/zinc/03/80/41/681038041.db2.gz ZDLGWFPLEZYLRB-UGUYLWEFSA-N 1 2 362.499 2.003 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2Cc1nnc(C)s1 ZINC001049733629 681038042 /nfs/dbraw/zinc/03/80/42/681038042.db2.gz ZDLGWFPLEZYLRB-UGUYLWEFSA-N 1 2 362.499 2.003 20 30 FEEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCN(c2nc(C#N)c(Cl)s2)[C@@H]1C ZINC001050503188 681048968 /nfs/dbraw/zinc/04/89/68/681048968.db2.gz ZQWSRHFONVTMMW-ZJUUUORDSA-N 1 2 364.862 2.026 20 30 FEEDLO C=C(Br)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC1 ZINC001052461654 681078938 /nfs/dbraw/zinc/07/89/38/681078938.db2.gz WZBIHMBXEQWWIC-BFHYXJOUSA-N 1 2 367.291 2.393 20 30 FEEDLO C=C(Br)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC1 ZINC001052461654 681078941 /nfs/dbraw/zinc/07/89/41/681078941.db2.gz WZBIHMBXEQWWIC-BFHYXJOUSA-N 1 2 367.291 2.393 20 30 FEEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1)CO2 ZINC001053953117 681105730 /nfs/dbraw/zinc/10/57/30/681105730.db2.gz MBRKUFYRPNBCEG-OKZBNKHCSA-N 1 2 358.869 2.426 20 30 FEEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(CO)(C(F)(F)F)CC1 ZINC000932823882 681317252 /nfs/dbraw/zinc/31/72/52/681317252.db2.gz ULTVZFRYAOQGOH-ZDUSSCGKSA-N 1 2 361.408 2.354 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC2(CC1)C[N@H+](C/C=C\Cl)CCO2 ZINC000949370583 681635552 /nfs/dbraw/zinc/63/55/52/681635552.db2.gz ZKLTYOWHQHMAFY-YFKBFVAJSA-N 1 2 368.905 2.414 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC2(CC1)C[N@@H+](C/C=C\Cl)CCO2 ZINC000949370583 681635556 /nfs/dbraw/zinc/63/55/56/681635556.db2.gz ZKLTYOWHQHMAFY-YFKBFVAJSA-N 1 2 368.905 2.414 20 30 FEEDLO Cc1cc(C)n(C2N=NC(=S)N2N=Cc2cc(-n3cc[nH+]c3)cs2)n1 ZINC000783822173 682179693 /nfs/dbraw/zinc/17/96/93/682179693.db2.gz SNUGQQWXFOOEHY-UHFFFAOYSA-N 1 2 370.467 2.499 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)C1C[NH+](Cc2cc(F)ccc2F)C1 ZINC000970446504 682298474 /nfs/dbraw/zinc/29/84/74/682298474.db2.gz FXSYRUDWNJUINF-NJAPINKUSA-N 1 2 350.409 2.492 20 30 FEEDLO C#C[C@@H]([NH2+][C@@H](C(N)=O)c1ccc(Br)cc1F)C1CCOCC1 ZINC000853079287 682373601 /nfs/dbraw/zinc/37/36/01/682373601.db2.gz ZDSFHBLGAJDTID-HUUCEWRRSA-N 1 2 369.234 2.133 20 30 FEEDLO C#CCCCOc1ccc[nH+]c1NC[C@@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000853616118 682445746 /nfs/dbraw/zinc/44/57/46/682445746.db2.gz SLPGMDOPXFDVST-HOTGVXAUSA-N 1 2 365.499 2.394 20 30 FEEDLO Cc1nn(C)c(N2CC[NH+](C[C@@H](O)c3cccc(Cl)c3)CC2)c1C#N ZINC000788275486 682516291 /nfs/dbraw/zinc/51/62/91/682516291.db2.gz NFQODEAKEFABQO-QGZVFWFLSA-N 1 2 359.861 2.109 20 30 FEEDLO C[N@@H+]1CCN(Cc2ccc(C#N)s2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000793604524 682898892 /nfs/dbraw/zinc/89/88/92/682898892.db2.gz RCKICHBXJGKHKY-CYBMUJFWSA-N 1 2 350.488 2.260 20 30 FEEDLO C[N@H+]1CCN(Cc2ccc(C#N)s2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000793604524 682898895 /nfs/dbraw/zinc/89/88/95/682898895.db2.gz RCKICHBXJGKHKY-CYBMUJFWSA-N 1 2 350.488 2.260 20 30 FEEDLO Cc1ccc(CNS(=O)(=O)c2cccc3c2CC[N@@H+](C)C3)cc1C#N ZINC000921639279 683528697 /nfs/dbraw/zinc/52/86/97/683528697.db2.gz HPLCUSWUJXZSBY-UHFFFAOYSA-N 1 2 355.463 2.333 20 30 FEEDLO Cc1ccc(CNS(=O)(=O)c2cccc3c2CC[N@H+](C)C3)cc1C#N ZINC000921639279 683528700 /nfs/dbraw/zinc/52/87/00/683528700.db2.gz HPLCUSWUJXZSBY-UHFFFAOYSA-N 1 2 355.463 2.333 20 30 FEEDLO N#Cc1cc(Cl)cc(C[NH+]2CCC(N3CCCS3(=O)=O)CC2)c1 ZINC000930708547 683773901 /nfs/dbraw/zinc/77/39/01/683773901.db2.gz PJNRIODPZBBQIR-UHFFFAOYSA-N 1 2 353.875 2.212 20 30 FEEDLO C#CC1(O)CC[NH+]([C@H](C)C(=O)Nc2cc(C)c(Cl)cc2OC)CC1 ZINC000931146673 683841651 /nfs/dbraw/zinc/84/16/51/683841651.db2.gz PTUVZJSESLRRBA-CYBMUJFWSA-N 1 2 350.846 2.444 20 30 FEEDLO C=C(Cl)C[C@H]1NC(=O)N(Cc2ccccc2C[NH+]2CCOCC2)C1=O ZINC000865297520 683963084 /nfs/dbraw/zinc/96/30/84/683963084.db2.gz XDROEFBRQWSCEE-MRXNPFEDSA-N 1 2 363.845 2.082 20 30 FEEDLO C=C(Cl)C[C@@H]1NC(=O)N(CCNc2cc(C)[nH+]c(C(C)C)n2)C1=O ZINC000865311009 683966499 /nfs/dbraw/zinc/96/64/99/683966499.db2.gz GMFSQDQCKLCKPB-LBPRGKRZSA-N 1 2 351.838 2.383 20 30 FEEDLO CC(C)(C)OC(=O)C[NH+]1CCC(NC(=O)NCC(C)(C)CC#N)CC1 ZINC000868695980 684529378 /nfs/dbraw/zinc/52/93/78/684529378.db2.gz GOIURXVADYQPNC-UHFFFAOYSA-N 1 2 352.479 2.032 20 30 FEEDLO C[C@@H]1C(N=Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)CC[N@@H+]1C ZINC000872355610 684939533 /nfs/dbraw/zinc/93/95/33/684939533.db2.gz YLWLMXXEQUQARM-LLVKDONJSA-N 1 2 365.484 2.436 20 30 FEEDLO C[C@@H]1C(N=Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)CC[N@H+]1C ZINC000872355610 684939535 /nfs/dbraw/zinc/93/95/35/684939535.db2.gz YLWLMXXEQUQARM-LLVKDONJSA-N 1 2 365.484 2.436 20 30 FEEDLO CC(=O)[C@@](C#N)(CC[N@@H+]1CCC[C@H](CS(C)(=O)=O)C1)c1ccccc1 ZINC000878648837 686627855 /nfs/dbraw/zinc/62/78/55/686627855.db2.gz TVRCBTLCRRGPLA-HKUYNNGSSA-N 1 2 362.495 2.184 20 30 FEEDLO CC(=O)[C@@](C#N)(CC[N@H+]1CCC[C@H](CS(C)(=O)=O)C1)c1ccccc1 ZINC000878648837 686627861 /nfs/dbraw/zinc/62/78/61/686627861.db2.gz TVRCBTLCRRGPLA-HKUYNNGSSA-N 1 2 362.495 2.184 20 30 FEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1cc(C(F)(F)F)ccc1OCC ZINC000884099218 687788774 /nfs/dbraw/zinc/78/87/74/687788774.db2.gz IAGOWAUFPULXOD-NSHDSACASA-N 1 2 360.332 2.489 20 30 FEEDLO CSc1ccc(CNC(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)cc1C#N ZINC000884161510 687804299 /nfs/dbraw/zinc/80/42/99/687804299.db2.gz HTDXDTORJJAOOX-ZIAGYGMSSA-N 1 2 362.499 2.189 20 30 FEEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)c2ccc(-c3coc(C)n3)cc2)C1 ZINC000885511205 688088102 /nfs/dbraw/zinc/08/81/02/688088102.db2.gz CSTFIXKJXYUILC-INIZCTEOSA-N 1 2 359.451 2.026 20 30 FEEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2ccc(-c3coc(C)n3)cc2)C1 ZINC000885511205 688088110 /nfs/dbraw/zinc/08/81/10/688088110.db2.gz CSTFIXKJXYUILC-INIZCTEOSA-N 1 2 359.451 2.026 20 30 FEEDLO N#Cc1ccc(-c2nnc(C[N@H+]3CC[C@@](CO)(C(F)(F)F)C3)o2)cc1 ZINC000886798471 688314315 /nfs/dbraw/zinc/31/43/15/688314315.db2.gz BHQDTOBWSNVVEF-OAHLLOKOSA-N 1 2 352.316 2.355 20 30 FEEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3CC[C@@](CO)(C(F)(F)F)C3)o2)cc1 ZINC000886798471 688314322 /nfs/dbraw/zinc/31/43/22/688314322.db2.gz BHQDTOBWSNVVEF-OAHLLOKOSA-N 1 2 352.316 2.355 20 30 FEEDLO C#CCSCC(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000889941274 688854990 /nfs/dbraw/zinc/85/49/90/688854990.db2.gz RGDHWRFDQXQRNJ-UHFFFAOYSA-N 1 2 366.284 2.430 20 30 FEEDLO N#Cc1csc(C[NH2+]Cc2ccccc2OCC(=O)NCC2CC2)n1 ZINC000897633057 690053369 /nfs/dbraw/zinc/05/33/69/690053369.db2.gz VZALNVUVVKPNRB-UHFFFAOYSA-N 1 2 356.451 2.210 20 30 FEEDLO N#Cc1nccnc1N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1 ZINC001164668491 719494853 /nfs/dbraw/zinc/49/48/53/719494853.db2.gz PYFZQINGCGKHOX-UHFFFAOYSA-N 1 2 367.428 2.359 20 30 FEEDLO N#Cc1nccnc1N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1 ZINC001164668491 719494869 /nfs/dbraw/zinc/49/48/69/719494869.db2.gz PYFZQINGCGKHOX-UHFFFAOYSA-N 1 2 367.428 2.359 20 30 FEEDLO N#Cc1cncc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)n1 ZINC001164673681 719498533 /nfs/dbraw/zinc/49/85/33/719498533.db2.gz QSBURLCLGXPRDR-UHFFFAOYSA-N 1 2 367.428 2.359 20 30 FEEDLO N#Cc1cncc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)n1 ZINC001164673681 719498538 /nfs/dbraw/zinc/49/85/38/719498538.db2.gz QSBURLCLGXPRDR-UHFFFAOYSA-N 1 2 367.428 2.359 20 30 FEEDLO Cc1nc(N(C)C)nc(N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)[nH+]1 ZINC000488440828 889370361 /nfs/dbraw/zinc/37/03/61/889370361.db2.gz QYORMORRANJVBO-AWEZNQCLSA-N 1 2 355.421 2.338 20 30 FEEDLO N#Cc1cccc(C[NH+]2CCN(Cc3nc(N)c4ccccc4n3)CC2)c1 ZINC000022816488 539700630 /nfs/dbraw/zinc/70/06/30/539700630.db2.gz LWNDHOHWRJVTQN-UHFFFAOYSA-N 1 2 358.449 2.401 20 30 FEEDLO C[C@@H](C(=O)NCc1ccccc1)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000023257588 539710786 /nfs/dbraw/zinc/71/07/86/539710786.db2.gz OFLZGDQZZQBWRU-SFHVURJKSA-N 1 2 362.477 2.381 20 30 FEEDLO C[C@@H](C(=O)NCc1ccccc1)[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000023257588 539710790 /nfs/dbraw/zinc/71/07/90/539710790.db2.gz OFLZGDQZZQBWRU-SFHVURJKSA-N 1 2 362.477 2.381 20 30 FEEDLO Cc1[nH+]c2cc(NC(=O)C(=O)N(C)Cc3ccc(C#N)cc3)ccc2n1C ZINC000076253710 542250847 /nfs/dbraw/zinc/25/08/47/542250847.db2.gz OCYZJDQHRNAOSJ-UHFFFAOYSA-N 1 2 361.405 2.351 20 30 FEEDLO C[C@H](C(=O)N[C@@H]1CCCC[C@H]1C)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000029445151 539853423 /nfs/dbraw/zinc/85/34/23/539853423.db2.gz DXSIIWKKORPGQA-JFIYKMOQSA-N 1 2 355.486 2.159 20 30 FEEDLO C=CCNC(=O)CN1CC[NH+](Cc2cc(Cl)cc3cccnc32)CC1 ZINC000046503742 540260128 /nfs/dbraw/zinc/26/01/28/540260128.db2.gz LVRHLXNZBIXRHK-UHFFFAOYSA-N 1 2 358.873 2.308 20 30 FEEDLO C=CCNC(=O)C[NH+]1CCN(Cc2cc(Cl)cc3cccnc32)CC1 ZINC000046503742 540260130 /nfs/dbraw/zinc/26/01/30/540260130.db2.gz LVRHLXNZBIXRHK-UHFFFAOYSA-N 1 2 358.873 2.308 20 30 FEEDLO CCC[N@H+](CC(=O)Nc1ccccc1OC)CC(=O)N(CC)C[C@@H](C)C#N ZINC000051474909 540436074 /nfs/dbraw/zinc/43/60/74/540436074.db2.gz QXXMHFGNDAJXIZ-INIZCTEOSA-N 1 2 374.485 2.354 20 30 FEEDLO CCC[N@@H+](CC(=O)Nc1ccccc1OC)CC(=O)N(CC)C[C@@H](C)C#N ZINC000051474909 540436076 /nfs/dbraw/zinc/43/60/76/540436076.db2.gz QXXMHFGNDAJXIZ-INIZCTEOSA-N 1 2 374.485 2.354 20 30 FEEDLO C[C@H](C1CC1)N(C(=O)CN1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CC1 ZINC000051621499 540439669 /nfs/dbraw/zinc/43/96/69/540439669.db2.gz BFSIKMOPCBPINW-QGZVFWFLSA-N 1 2 366.509 2.465 20 30 FEEDLO C[C@H](C1CC1)N(C(=O)C[NH+]1CCN(Cc2ccc(C#N)cc2)CC1)C1CC1 ZINC000051621499 540439670 /nfs/dbraw/zinc/43/96/70/540439670.db2.gz BFSIKMOPCBPINW-QGZVFWFLSA-N 1 2 366.509 2.465 20 30 FEEDLO C[NH+](C)Cc1ccccc1NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 ZINC000052666046 540480452 /nfs/dbraw/zinc/48/04/52/540480452.db2.gz OHVCCHOVNIKVFL-UHFFFAOYSA-N 1 2 371.462 2.173 20 30 FEEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000053231499 540519843 /nfs/dbraw/zinc/51/98/43/540519843.db2.gz HCOJCMXUFJWYIO-HNNXBMFYSA-N 1 2 369.421 2.181 20 30 FEEDLO C[N@@H+](Cc1nccn1CC(F)(F)F)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000057845216 540819594 /nfs/dbraw/zinc/81/95/94/540819594.db2.gz KMODLPSZVBZXAK-CQSZACIVSA-N 1 2 368.359 2.189 20 30 FEEDLO C[N@H+](Cc1nccn1CC(F)(F)F)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000057845216 540819597 /nfs/dbraw/zinc/81/95/97/540819597.db2.gz KMODLPSZVBZXAK-CQSZACIVSA-N 1 2 368.359 2.189 20 30 FEEDLO C=CCNC(=O)CSc1nnc([C@@H](C)[NH+](C)C)n1-c1ccc(F)cc1 ZINC000058165261 540830556 /nfs/dbraw/zinc/83/05/56/540830556.db2.gz ZJWVLJASNDYKPD-GFCCVEGCSA-N 1 2 363.462 2.423 20 30 FEEDLO N#Cc1cccc(NC(=O)C2CC[NH+](CC(=O)Nc3nccs3)CC2)c1 ZINC000060330069 541106021 /nfs/dbraw/zinc/10/60/21/541106021.db2.gz SWDAUJUIORNAAC-UHFFFAOYSA-N 1 2 369.450 2.304 20 30 FEEDLO COCCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc[nH+]c1N(C)C ZINC000063787582 541186068 /nfs/dbraw/zinc/18/60/68/541186068.db2.gz PVNJUCGQJFUGRR-UHFFFAOYSA-N 1 2 367.453 2.377 20 30 FEEDLO Cc1ccn2cc(CNC(=O)c3ccc(-n4ncc(C#N)c4N)cc3)[nH+]c2c1 ZINC000066240819 541294726 /nfs/dbraw/zinc/29/47/26/541294726.db2.gz LLJCUTPTKOMVMZ-UHFFFAOYSA-N 1 2 371.404 2.212 20 30 FEEDLO COC(=O)[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000066833358 541377012 /nfs/dbraw/zinc/37/70/12/541377012.db2.gz IGNDQGCZYYTEDK-RYUDHWBXSA-N 1 2 361.467 2.320 20 30 FEEDLO COC(=O)[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000066833358 541377015 /nfs/dbraw/zinc/37/70/15/541377015.db2.gz IGNDQGCZYYTEDK-RYUDHWBXSA-N 1 2 361.467 2.320 20 30 FEEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 ZINC000542962535 541509963 /nfs/dbraw/zinc/50/99/63/541509963.db2.gz SROJQWPXPVJAMX-LBPRGKRZSA-N 1 2 353.361 2.290 20 30 FEEDLO CC[C@@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000073108339 541919079 /nfs/dbraw/zinc/91/90/79/541919079.db2.gz WRPNTFUTFJWTGA-SJLPKXTDSA-N 1 2 355.486 2.255 20 30 FEEDLO Cc1oc(NC(=O)C[N@H+](C)C[C@H]2COc3ccccc3O2)c(C#N)c1C ZINC000073271998 541939191 /nfs/dbraw/zinc/93/91/91/541939191.db2.gz GQKJVKDLFRYCSY-AWEZNQCLSA-N 1 2 355.394 2.478 20 30 FEEDLO Cc1oc(NC(=O)C[N@@H+](C)C[C@H]2COc3ccccc3O2)c(C#N)c1C ZINC000073271998 541939194 /nfs/dbraw/zinc/93/91/94/541939194.db2.gz GQKJVKDLFRYCSY-AWEZNQCLSA-N 1 2 355.394 2.478 20 30 FEEDLO CC(=O)N1CCC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)CC1 ZINC000073647094 541981134 /nfs/dbraw/zinc/98/11/34/541981134.db2.gz BTIIYKZNBIZJJH-OAHLLOKOSA-N 1 2 360.433 2.015 20 30 FEEDLO CC(=O)N1CCC[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)CC1 ZINC000073647094 541981137 /nfs/dbraw/zinc/98/11/37/541981137.db2.gz BTIIYKZNBIZJJH-OAHLLOKOSA-N 1 2 360.433 2.015 20 30 FEEDLO C=CCN(CC=C)C(=O)C[NH+]1CCN(c2ncnc3sccc32)CC1 ZINC000074158228 542044187 /nfs/dbraw/zinc/04/41/87/542044187.db2.gz MOWXMRCRXXWJGL-UHFFFAOYSA-N 1 2 357.483 2.014 20 30 FEEDLO C[C@H](O)CC(C)(C)CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000074545732 542097445 /nfs/dbraw/zinc/09/74/45/542097445.db2.gz XPOLPBKGWXBHTM-INIZCTEOSA-N 1 2 358.486 2.183 20 30 FEEDLO C[C@@H](O)CC(C)(C)CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000074545735 542097677 /nfs/dbraw/zinc/09/76/77/542097677.db2.gz XPOLPBKGWXBHTM-MRXNPFEDSA-N 1 2 358.486 2.183 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)CN(C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000075915565 542215728 /nfs/dbraw/zinc/21/57/28/542215728.db2.gz OQBYHBQZVMRXES-HXUWFJFHSA-N 1 2 353.470 2.418 20 30 FEEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCCN(CC(F)(F)F)CC1 ZINC000076398636 542274438 /nfs/dbraw/zinc/27/44/38/542274438.db2.gz CDRPJUKZKHKBHW-ZDUSSCGKSA-N 1 2 354.376 2.455 20 30 FEEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCCN(CC(F)(F)F)CC1 ZINC000076398636 542274440 /nfs/dbraw/zinc/27/44/40/542274440.db2.gz CDRPJUKZKHKBHW-ZDUSSCGKSA-N 1 2 354.376 2.455 20 30 FEEDLO COc1cc(C#N)ccc1OCC[NH+]1CCN(Cc2ccccn2)CC1 ZINC000077247807 542359127 /nfs/dbraw/zinc/35/91/27/542359127.db2.gz IFJYQVIPLREMIM-UHFFFAOYSA-N 1 2 352.438 2.158 20 30 FEEDLO COc1cc(C#N)ccc1OCCN1CC[NH+](Cc2ccccn2)CC1 ZINC000077247807 542359131 /nfs/dbraw/zinc/35/91/31/542359131.db2.gz IFJYQVIPLREMIM-UHFFFAOYSA-N 1 2 352.438 2.158 20 30 FEEDLO Cc1cc(C#N)ccc1S(=O)(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000077373391 542373847 /nfs/dbraw/zinc/37/38/47/542373847.db2.gz NKQDJCZDSVUCGR-UHFFFAOYSA-N 1 2 361.492 2.435 20 30 FEEDLO CCO[C@H](C)c1noc(C[N@@H+]2CCCN(c3ccc(C#N)cn3)CC2)n1 ZINC000078460273 542462067 /nfs/dbraw/zinc/46/20/67/542462067.db2.gz IBQFLAWGLKXUOF-CQSZACIVSA-N 1 2 356.430 2.146 20 30 FEEDLO CCO[C@H](C)c1noc(C[N@H+]2CCCN(c3ccc(C#N)cn3)CC2)n1 ZINC000078460273 542462070 /nfs/dbraw/zinc/46/20/70/542462070.db2.gz IBQFLAWGLKXUOF-CQSZACIVSA-N 1 2 356.430 2.146 20 30 FEEDLO C[C@@H](C#N)OCC[NH+]1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 ZINC000801910575 674154469 /nfs/dbraw/zinc/15/44/69/674154469.db2.gz VFEJNIORICVTTC-ZDUSSCGKSA-N 1 2 355.360 2.392 20 30 FEEDLO C=CCN(CC=C)C(=O)C[NH+]1CCN(Cc2ccc(OC)c(F)c2)CC1 ZINC000078955143 542489957 /nfs/dbraw/zinc/48/99/57/542489957.db2.gz MQUOROJZMBHLNA-UHFFFAOYSA-N 1 2 361.461 2.153 20 30 FEEDLO CCn1c(CN(CCC#N)CC[NH+]2CCOCC2)nc2cc(F)ccc21 ZINC000081158254 542636669 /nfs/dbraw/zinc/63/66/69/542636669.db2.gz JCWKEZRLRLFPQX-UHFFFAOYSA-N 1 2 359.449 2.243 20 30 FEEDLO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000115675098 132247706 /nfs/dbraw/zinc/24/77/06/132247706.db2.gz ZDJOFPXSGXOKGK-UHFFFAOYSA-N 1 2 353.382 2.192 20 30 FEEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]([C@@H](C)c2ccco2)C2CC2)CC1 ZINC000091624466 542816779 /nfs/dbraw/zinc/81/67/79/542816779.db2.gz ZGFFZLXWKHDJGF-FUHWJXTLSA-N 1 2 358.486 2.497 20 30 FEEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]([C@@H](C)c2ccco2)C2CC2)CC1 ZINC000091624466 542816780 /nfs/dbraw/zinc/81/67/80/542816780.db2.gz ZGFFZLXWKHDJGF-FUHWJXTLSA-N 1 2 358.486 2.497 20 30 FEEDLO C=CCc1cc(C[NH+]2CCN(Cc3nccn3C)CC2)cc(OC)c1O ZINC000093108509 542909148 /nfs/dbraw/zinc/90/91/48/542909148.db2.gz DPTZJOYKCNAIRT-UHFFFAOYSA-N 1 2 356.470 2.181 20 30 FEEDLO N#CCCCS(=O)(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000104109352 543123424 /nfs/dbraw/zinc/12/34/24/543123424.db2.gz TWEIVWLCFSVTRT-UHFFFAOYSA-N 1 2 355.891 2.481 20 30 FEEDLO N#CCCCS(=O)(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000104109352 543123426 /nfs/dbraw/zinc/12/34/26/543123426.db2.gz TWEIVWLCFSVTRT-UHFFFAOYSA-N 1 2 355.891 2.481 20 30 FEEDLO Cc1cc(N2CCN(S(=O)(=O)CCCCC#N)CC2)nc(C(C)C)[nH+]1 ZINC000104108976 543123766 /nfs/dbraw/zinc/12/37/66/543123766.db2.gz IQOOCVKKLQMPAD-UHFFFAOYSA-N 1 2 365.503 2.054 20 30 FEEDLO Cc1ncc(C[NH+]2CCN([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC2)s1 ZINC000106091575 543194668 /nfs/dbraw/zinc/19/46/68/543194668.db2.gz DQHZBNCVQVHNDG-RDTXWAMCSA-N 1 2 363.531 2.012 20 30 FEEDLO Cc1ccc([C@@H](CNC(=O)c2ccc(C#N)cn2)[NH+]2CCOCC2)cc1 ZINC000107457497 543270642 /nfs/dbraw/zinc/27/06/42/543270642.db2.gz VQRBFZCADIMZIO-LJQANCHMSA-N 1 2 350.422 2.065 20 30 FEEDLO CC[NH+]1CCN(C(=O)C(=O)Nc2ccccc2S[C@H](C)CC#N)CC1 ZINC000109034799 543311713 /nfs/dbraw/zinc/31/17/13/543311713.db2.gz UBUJFUATZAFDDP-CQSZACIVSA-N 1 2 360.483 2.183 20 30 FEEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+](C)CCN2CCCC2=O)c1C ZINC000112732004 543461776 /nfs/dbraw/zinc/46/17/76/543461776.db2.gz DDQBBIAZNQWGSP-UHFFFAOYSA-N 1 2 356.470 2.104 20 30 FEEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+](C)CCN2CCCC2=O)c1C ZINC000112732004 543461778 /nfs/dbraw/zinc/46/17/78/543461778.db2.gz DDQBBIAZNQWGSP-UHFFFAOYSA-N 1 2 356.470 2.104 20 30 FEEDLO CC[C@H]1COCC[N@@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000115573965 543574705 /nfs/dbraw/zinc/57/47/05/543574705.db2.gz YJRNTDJWBORDOS-INIZCTEOSA-N 1 2 354.372 2.284 20 30 FEEDLO CC[C@H]1COCC[N@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000115573965 543574707 /nfs/dbraw/zinc/57/47/07/543574707.db2.gz YJRNTDJWBORDOS-INIZCTEOSA-N 1 2 354.372 2.284 20 30 FEEDLO Cc1ccc(CNC(=O)[C@@H](C)[NH+]2CCN(c3ccc(C#N)cn3)CC2)cc1 ZINC000115675036 543581268 /nfs/dbraw/zinc/58/12/68/543581268.db2.gz RPTIXAINGSVZCB-QGZVFWFLSA-N 1 2 363.465 2.089 20 30 FEEDLO C[C@H](C(=O)N(CCC#N)CC[NH+]1CCOCC1)c1c(F)cccc1F ZINC000120847726 543685405 /nfs/dbraw/zinc/68/54/05/543685405.db2.gz HHEGMZABGMZHRA-AWEZNQCLSA-N 1 2 351.397 2.143 20 30 FEEDLO Cc1nn(CCC#N)c(C)c1CCC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000120930542 543686698 /nfs/dbraw/zinc/68/66/98/543686698.db2.gz SIUSJPXFTUXZNM-SFHVURJKSA-N 1 2 367.453 2.421 20 30 FEEDLO C=CCn1c2nnc(SCCn3cc[nH+]c3)n2c2ccccc2c1=O ZINC000121806283 543699933 /nfs/dbraw/zinc/69/99/33/543699933.db2.gz AFCDKIOOZBVUAS-UHFFFAOYSA-N 1 2 352.423 2.219 20 30 FEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN(c2ncnc3ccsc32)CC1 ZINC000124354965 543816498 /nfs/dbraw/zinc/81/64/98/543816498.db2.gz CVFYBJWHKVPZOJ-OAHLLOKOSA-N 1 2 371.510 2.402 20 30 FEEDLO C=CCc1ccccc1OC[C@@H](O)C[NH+]1CCN(c2nc(C)ns2)CC1 ZINC000126699409 543951102 /nfs/dbraw/zinc/95/11/02/543951102.db2.gz WIZHOVGLCQKHHL-KRWDZBQOSA-N 1 2 374.510 2.137 20 30 FEEDLO C=CCC[NH+]1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 ZINC000132339319 544227611 /nfs/dbraw/zinc/22/76/11/544227611.db2.gz CKJYUPRKIVTBCD-UHFFFAOYSA-N 1 2 359.289 2.332 20 30 FEEDLO CCCOc1ccc2c(c1)CC[N@@H+](CC(=O)N(CCC#N)CCC#N)C2 ZINC000134518798 544311448 /nfs/dbraw/zinc/31/14/48/544311448.db2.gz CSHKAFAVMQZOMS-UHFFFAOYSA-N 1 2 354.454 2.489 20 30 FEEDLO CCCOc1ccc2c(c1)CC[N@H+](CC(=O)N(CCC#N)CCC#N)C2 ZINC000134518798 544311449 /nfs/dbraw/zinc/31/14/49/544311449.db2.gz CSHKAFAVMQZOMS-UHFFFAOYSA-N 1 2 354.454 2.489 20 30 FEEDLO Cc1cc(NC(=O)COc2ccc(C#N)cc2)n(-c2cc(C)[nH+]c(C)n2)n1 ZINC000150694542 544462863 /nfs/dbraw/zinc/46/28/63/544462863.db2.gz LNISDJXYYFYUJC-UHFFFAOYSA-N 1 2 362.393 2.477 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Nc1cccc(-c2ncco2)c1 ZINC000152468049 544657770 /nfs/dbraw/zinc/65/77/70/544657770.db2.gz UNVWZOXFTIQBJZ-UHFFFAOYSA-N 1 2 369.425 2.421 20 30 FEEDLO C=CCN(C)C(=O)CS(=O)(=O)Nc1ccc([NH+]2CCCCC2)cc1 ZINC000154227707 544878059 /nfs/dbraw/zinc/87/80/59/544878059.db2.gz NNHKOIVNAMWLSL-UHFFFAOYSA-N 1 2 351.472 2.063 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cc(O)ccc1Br ZINC000154804151 544951679 /nfs/dbraw/zinc/95/16/79/544951679.db2.gz UUUJQIVMBWAPPE-UHFFFAOYSA-N 1 2 368.275 2.203 20 30 FEEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN(C(=O)Cc2ccccc2C)CC1 ZINC000155127776 544993091 /nfs/dbraw/zinc/99/30/91/544993091.db2.gz MKSZULOCHAOFNZ-IBGZPJMESA-N 1 2 369.509 2.271 20 30 FEEDLO COC(=O)C1([NH2+]C[C@H](O)COc2ccc(CC#N)cc2)CCCCCC1 ZINC000154859578 544958300 /nfs/dbraw/zinc/95/83/00/544958300.db2.gz OMZWKDJGAPBTBM-KRWDZBQOSA-N 1 2 360.454 2.348 20 30 FEEDLO CN(CCCn1cc[nH+]c1)C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 ZINC000154899568 544963485 /nfs/dbraw/zinc/96/34/85/544963485.db2.gz XZWYTZPRXMRYCU-UHFFFAOYSA-N 1 2 374.466 2.123 20 30 FEEDLO Cc1sc(NC(=O)C[NH+]2CCC(OCCCO)CC2)c(C#N)c1C ZINC000155069901 544984329 /nfs/dbraw/zinc/98/43/29/544984329.db2.gz KLHYTXHQIXJCLO-UHFFFAOYSA-N 1 2 351.472 2.039 20 30 FEEDLO Cc1ccsc1C[NH+]1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000179651470 327653551 /nfs/dbraw/zinc/65/35/51/327653551.db2.gz GFFVRCKXGGQOSA-UHFFFAOYSA-N 1 2 361.492 2.435 20 30 FEEDLO Cc1nnc([C@@H]2C[N@H+](Cc3cccn3Cc3ccccc3C#N)CCO2)[nH]1 ZINC000187419220 328024153 /nfs/dbraw/zinc/02/41/53/328024153.db2.gz OJMHMRDIUFPRBX-IBGZPJMESA-N 1 2 362.437 2.408 20 30 FEEDLO Cc1nnc([C@@H]2C[N@@H+](Cc3cccn3Cc3ccccc3C#N)CCO2)[nH]1 ZINC000187419220 328024155 /nfs/dbraw/zinc/02/41/55/328024155.db2.gz OJMHMRDIUFPRBX-IBGZPJMESA-N 1 2 362.437 2.408 20 30 FEEDLO N#Cc1ccc(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)cc1O ZINC000190073041 328185937 /nfs/dbraw/zinc/18/59/37/328185937.db2.gz LRDFKQFPCXXFJB-SFHVURJKSA-N 1 2 351.406 2.067 20 30 FEEDLO C[C@@H]1CN(c2ccc(CNC(=O)c3ccc(C#N)c(O)c3)c[nH+]2)C[C@H](C)O1 ZINC000190574422 328217212 /nfs/dbraw/zinc/21/72/12/328217212.db2.gz DBEFTLDSLFTPBT-OKILXGFUSA-N 1 2 366.421 2.202 20 30 FEEDLO Cc1cc(C[NH+]2CCN([C@@H](C)C(=O)Nc3oc(C)c(C)c3C#N)CC2)on1 ZINC000027907256 324435693 /nfs/dbraw/zinc/43/56/93/324435693.db2.gz RAIQXDDGUUSFFQ-AWEZNQCLSA-N 1 2 371.441 2.209 20 30 FEEDLO N#Cc1ccccc1N1CCCN(C(=O)Cc2cn3ccccc3[nH+]2)CC1 ZINC000060664268 324850706 /nfs/dbraw/zinc/85/07/06/324850706.db2.gz SLMZRJDPFYORQD-UHFFFAOYSA-N 1 2 359.433 2.487 20 30 FEEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[NH+]1CCC(C(=O)N2CCCCC2)CC1 ZINC000083128410 325213273 /nfs/dbraw/zinc/21/32/73/325213273.db2.gz QDEKCXXKILMWFE-LJQANCHMSA-N 1 2 369.465 2.497 20 30 FEEDLO N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NCCCn1cc[nH+]c1 ZINC000091212561 325379803 /nfs/dbraw/zinc/37/98/03/325379803.db2.gz DHQAAYCDWOHVJD-UHFFFAOYSA-N 1 2 358.345 2.142 20 30 FEEDLO Cc1ccc([C@H](CNC(=O)c2ccc(C#N)cn2)[NH+]2CCOCC2)cc1 ZINC000107457500 325628747 /nfs/dbraw/zinc/62/87/47/325628747.db2.gz VQRBFZCADIMZIO-IBGZPJMESA-N 1 2 350.422 2.065 20 30 FEEDLO C[NH+](C)[C@@H](CNS(=O)(=O)c1c(F)cc(C#N)cc1F)c1cccs1 ZINC000124010044 326446318 /nfs/dbraw/zinc/44/63/18/326446318.db2.gz CZKLUKCZEDDGHX-ZDUSSCGKSA-N 1 2 371.434 2.479 20 30 FEEDLO Cc1ccc(C(=O)N2CC[NH+](C[C@H](O)c3ccc(C#N)cc3)CC2)cc1F ZINC000127158240 326501352 /nfs/dbraw/zinc/50/13/52/326501352.db2.gz AXKPQTHEEPEOCB-FQEVSTJZSA-N 1 2 367.424 2.497 20 30 FEEDLO N#Cc1cc(F)ccc1S(=O)(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000151736964 326689710 /nfs/dbraw/zinc/68/97/10/326689710.db2.gz VNCZMDADLSDLHI-UHFFFAOYSA-N 1 2 359.426 2.204 20 30 FEEDLO N#Cc1csc(C[NH+]2CCN(C(=O)COc3ccc(F)cc3)CC2)c1 ZINC000160623548 326971833 /nfs/dbraw/zinc/97/18/33/326971833.db2.gz XKHNXZZERAYZRO-UHFFFAOYSA-N 1 2 359.426 2.482 20 30 FEEDLO C[C@H]1C[NH+]=C(N2CCN(C(=O)CSc3ccc(C#N)cc3)CC2)S1 ZINC000173072644 327233706 /nfs/dbraw/zinc/23/37/06/327233706.db2.gz ULQQIIZJZWMFLW-ZDUSSCGKSA-N 1 2 360.508 2.286 20 30 FEEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCN(c2cnn(C)c2)CC1 ZINC000174931060 327361698 /nfs/dbraw/zinc/36/16/98/327361698.db2.gz LASMEMTXYDJZRN-CYBMUJFWSA-N 1 2 372.860 2.094 20 30 FEEDLO COc1cc(OC)cc([C@H](NC(=O)c2cc(C#N)c[nH]2)c2[nH+]ccn2C)c1 ZINC000175206813 327380054 /nfs/dbraw/zinc/38/00/54/327380054.db2.gz SKZJESPVLPAPKJ-KRWDZBQOSA-N 1 2 365.393 2.156 20 30 FEEDLO CN(CC[NH+]1CCOCC1)C(=O)c1occc1COc1cccc(C#N)c1 ZINC000263895027 328973052 /nfs/dbraw/zinc/97/30/52/328973052.db2.gz WBDVTVBOTMQFKE-UHFFFAOYSA-N 1 2 369.421 2.134 20 30 FEEDLO Cc1[nH]c(C(=O)NCCCc2nn(-c3ccc(C)cc3)c(N)c2C#N)c[nH+]1 ZINC000264854363 329067691 /nfs/dbraw/zinc/06/76/91/329067691.db2.gz NTAROYDAMRIEAC-UHFFFAOYSA-N 1 2 363.425 2.029 20 30 FEEDLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000265603424 329142282 /nfs/dbraw/zinc/14/22/82/329142282.db2.gz JXPRNMTZMGZIPJ-BWJFDKCMSA-N 1 2 365.524 2.278 20 30 FEEDLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000265603424 329142283 /nfs/dbraw/zinc/14/22/83/329142283.db2.gz JXPRNMTZMGZIPJ-BWJFDKCMSA-N 1 2 365.524 2.278 20 30 FEEDLO N#Cc1ccnc(N2CC[NH+](C[C@@H]3CN(c4ccccc4)C(=O)O3)CC2)c1 ZINC000266033269 329183628 /nfs/dbraw/zinc/18/36/28/329183628.db2.gz SMKSKXPOWBHIEO-GOSISDBHSA-N 1 2 363.421 2.101 20 30 FEEDLO CC(=O)N1CC[NH+](CCNc2c(C#N)cnc3c(C)cc(C)cc32)CC1 ZINC000266461081 329225324 /nfs/dbraw/zinc/22/53/24/329225324.db2.gz YREQNRPATZSJCN-UHFFFAOYSA-N 1 2 351.454 2.299 20 30 FEEDLO N#Cc1cc(NC(=O)C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)ccc1Cl ZINC000267300082 329312023 /nfs/dbraw/zinc/31/20/23/329312023.db2.gz AYHWKYIORKCWQB-UHFFFAOYSA-N 1 2 357.801 2.279 20 30 FEEDLO CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000267407891 329323926 /nfs/dbraw/zinc/32/39/26/329323926.db2.gz RAIHVELQMVLCDL-CQSZACIVSA-N 1 2 367.409 2.025 20 30 FEEDLO N#Cc1ccc(NC(=O)C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c(Cl)c1 ZINC000269090088 329484523 /nfs/dbraw/zinc/48/45/23/329484523.db2.gz KFLZLIMQEACWAV-LBPRGKRZSA-N 1 2 357.801 2.279 20 30 FEEDLO C[C@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@@H]1CCCCO1 ZINC000272048697 329747923 /nfs/dbraw/zinc/74/79/23/329747923.db2.gz XLEAKIAUJMJECJ-LPHOPBHVSA-N 1 2 356.470 2.343 20 30 FEEDLO C[C@@H]([NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2)c1nncn1C ZINC000274044422 329910931 /nfs/dbraw/zinc/91/09/31/329910931.db2.gz OVCIEFKULYWQFC-LLVKDONJSA-N 1 2 358.471 2.306 20 30 FEEDLO N#Cc1ccc(NC(=O)C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1Cl ZINC000299696128 330199250 /nfs/dbraw/zinc/19/92/50/330199250.db2.gz YCZUYCLNGHJUTC-UHFFFAOYSA-N 1 2 357.801 2.279 20 30 FEEDLO N#Cc1ccc(N2CC[C@H]([N@@H+]3CCCN(CC(F)(F)F)CC3)C2=O)cc1 ZINC000155898398 545581655 /nfs/dbraw/zinc/58/16/55/545581655.db2.gz JKVWRSZHNBVBHZ-INIZCTEOSA-N 1 2 366.387 2.234 20 30 FEEDLO N#Cc1ccc(N2CC[C@H]([N@H+]3CCCN(CC(F)(F)F)CC3)C2=O)cc1 ZINC000155898398 545581659 /nfs/dbraw/zinc/58/16/59/545581659.db2.gz JKVWRSZHNBVBHZ-INIZCTEOSA-N 1 2 366.387 2.234 20 30 FEEDLO O=S(=O)([C@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1)N1CCCC1 ZINC000157268897 545721401 /nfs/dbraw/zinc/72/14/01/545721401.db2.gz NQAGMQMHGCKHOJ-KRWDZBQOSA-N 1 2 352.887 2.191 20 30 FEEDLO O=S(=O)([C@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1)N1CCCC1 ZINC000157268897 545721404 /nfs/dbraw/zinc/72/14/04/545721404.db2.gz NQAGMQMHGCKHOJ-KRWDZBQOSA-N 1 2 352.887 2.191 20 30 FEEDLO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)CCNC(=O)C(C)C)cc1 ZINC000157453603 545742860 /nfs/dbraw/zinc/74/28/60/545742860.db2.gz SIBRBDZKWDIVPG-QGZVFWFLSA-N 1 2 358.486 2.334 20 30 FEEDLO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@H+](C)CCNC(=O)C(C)C)cc1 ZINC000157453603 545742863 /nfs/dbraw/zinc/74/28/63/545742863.db2.gz SIBRBDZKWDIVPG-QGZVFWFLSA-N 1 2 358.486 2.334 20 30 FEEDLO C[C@H](NC(=O)c1occc1COc1cccc(C#N)c1)[C@H]1C[N@H+](C)CCO1 ZINC000157692290 545770052 /nfs/dbraw/zinc/77/00/52/545770052.db2.gz XRHSGJUWDATLSA-KBXCAEBGSA-N 1 2 369.421 2.179 20 30 FEEDLO C[C@H](NC(=O)c1occc1COc1cccc(C#N)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000157692290 545770054 /nfs/dbraw/zinc/77/00/54/545770054.db2.gz XRHSGJUWDATLSA-KBXCAEBGSA-N 1 2 369.421 2.179 20 30 FEEDLO CC(C)C(=O)NCC[N@H+](C)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000157698036 545771836 /nfs/dbraw/zinc/77/18/36/545771836.db2.gz QCMCHTLQRNYPQH-GFCCVEGCSA-N 1 2 362.499 2.139 20 30 FEEDLO CC(C)C(=O)NCC[N@@H+](C)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000157698036 545771844 /nfs/dbraw/zinc/77/18/44/545771844.db2.gz QCMCHTLQRNYPQH-GFCCVEGCSA-N 1 2 362.499 2.139 20 30 FEEDLO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3nnc(-c4ccc(C#N)cc4)o3)[C@@H]2C1 ZINC000158180609 545832345 /nfs/dbraw/zinc/83/23/45/545832345.db2.gz NCQKWIRBCQWUMR-BRWVUGGUSA-N 1 2 354.410 2.377 20 30 FEEDLO CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3nnc(-c4ccc(C#N)cc4)o3)[C@@H]2C1 ZINC000158180609 545832347 /nfs/dbraw/zinc/83/23/47/545832347.db2.gz NCQKWIRBCQWUMR-BRWVUGGUSA-N 1 2 354.410 2.377 20 30 FEEDLO COc1cc(NCc2c[nH+]c3ccc(C#N)cn23)ccc1NS(C)(=O)=O ZINC000159928835 545992942 /nfs/dbraw/zinc/99/29/42/545992942.db2.gz MPDOQKNZKNFQGL-UHFFFAOYSA-N 1 2 371.422 2.198 20 30 FEEDLO CCN1CC[NH+]([C@@H]2CCN(C(=O)N[C@H](CCC#N)c3ccccc3)C2)CC1 ZINC000160665491 546061265 /nfs/dbraw/zinc/06/12/65/546061265.db2.gz PNUXIKAWOSIEOR-WOJBJXKFSA-N 1 2 369.513 2.453 20 30 FEEDLO Cc1ccc(N(CCC#N)C(=O)C[N@@H+](C)[C@@H]2CCCCNC2=O)cc1C ZINC000162349868 546138534 /nfs/dbraw/zinc/13/85/34/546138534.db2.gz BIQLBOKASAMWEG-GOSISDBHSA-N 1 2 356.470 2.151 20 30 FEEDLO Cc1ccc(N(CCC#N)C(=O)C[N@H+](C)[C@@H]2CCCCNC2=O)cc1C ZINC000162349868 546138536 /nfs/dbraw/zinc/13/85/36/546138536.db2.gz BIQLBOKASAMWEG-GOSISDBHSA-N 1 2 356.470 2.151 20 30 FEEDLO Cc1cc[nH+]c(N2CCN([C@H](C)C(=O)NC3(C#N)CCCCC3)CC2)c1 ZINC000166166761 546154573 /nfs/dbraw/zinc/15/45/73/546154573.db2.gz YAUALSQMQRKRLU-QGZVFWFLSA-N 1 2 355.486 2.243 20 30 FEEDLO C=CCNC(=O)C[NH+]1CCN([C@H](C)c2cccc(Br)c2)CC1 ZINC000169208269 546159240 /nfs/dbraw/zinc/15/92/40/546159240.db2.gz YRXMJALGHGSESW-CQSZACIVSA-N 1 2 366.303 2.430 20 30 FEEDLO N#CCCn1cc(C(=O)C[N@H+]2CCC[C@H](OCCO)C2)c2ccccc21 ZINC000172292786 546245053 /nfs/dbraw/zinc/24/50/53/546245053.db2.gz FYMIPUQFWKQKFE-INIZCTEOSA-N 1 2 355.438 2.211 20 30 FEEDLO N#CCCn1cc(C(=O)C[N@@H+]2CCC[C@H](OCCO)C2)c2ccccc21 ZINC000172292786 546245059 /nfs/dbraw/zinc/24/50/59/546245059.db2.gz FYMIPUQFWKQKFE-INIZCTEOSA-N 1 2 355.438 2.211 20 30 FEEDLO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(C[C@@](C)(O)c2ccco2)CC1=O ZINC000172947620 546270699 /nfs/dbraw/zinc/27/06/99/546270699.db2.gz FKKQSZWOEQFCSD-HXUWFJFHSA-N 1 2 366.421 2.147 20 30 FEEDLO Cc1cc(N2CC[C@H](O[NH+]=C(N)Cc3ccc(Cl)cc3)C2=O)n(C)n1 ZINC000174145884 546292963 /nfs/dbraw/zinc/29/29/63/546292963.db2.gz CTZHBCWVNNHHQM-AWEZNQCLSA-N 1 2 361.833 2.019 20 30 FEEDLO Cc1nc(C[C@@H]2CCC[N@@H+]([C@@H]3CCN(c4sccc4C#N)C3=O)C2)no1 ZINC000177035040 546529658 /nfs/dbraw/zinc/52/96/58/546529658.db2.gz XKBHAJOLLVMWJW-DZGCQCFKSA-N 1 2 371.466 2.371 20 30 FEEDLO Cc1nc(C[C@@H]2CCC[N@H+]([C@@H]3CCN(c4sccc4C#N)C3=O)C2)no1 ZINC000177035040 546529662 /nfs/dbraw/zinc/52/96/62/546529662.db2.gz XKBHAJOLLVMWJW-DZGCQCFKSA-N 1 2 371.466 2.371 20 30 FEEDLO CCO[C@@H]1C[C@H](O)C12CC[NH+]([C@H](C(=O)OC)c1cccc(C#N)c1)CC2 ZINC000177126002 546549874 /nfs/dbraw/zinc/54/98/74/546549874.db2.gz SUHNPCRLEVFRBD-KSZLIROESA-N 1 2 358.438 2.024 20 30 FEEDLO CCC[C@H](C)NC(=O)[C@@H](C)O[NH+]=C(N)c1ccc(N2CCCCC2)nc1 ZINC000177479179 546627870 /nfs/dbraw/zinc/62/78/70/546627870.db2.gz RVTZRMMSFKVTNM-LSDHHAIUSA-N 1 2 361.490 2.402 20 30 FEEDLO C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)c1cc(C#N)c[nH]1 ZINC000177817082 546690886 /nfs/dbraw/zinc/69/08/86/546690886.db2.gz ZRVGBYALROLXFH-INIZCTEOSA-N 1 2 352.438 2.249 20 30 FEEDLO COc1c(C)c[nH+]c(CN(C)C(=O)C#Cc2ccc3c(c2)OCO3)c1C ZINC000178055865 546731485 /nfs/dbraw/zinc/73/14/85/546731485.db2.gz AOHGJXLLEHKPGQ-UHFFFAOYSA-N 1 2 352.390 2.446 20 30 FEEDLO Cc1c(C#N)cccc1NC(=O)C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000178528119 546808166 /nfs/dbraw/zinc/80/81/66/546808166.db2.gz AWKXYKJNXAHLSN-HNNXBMFYSA-N 1 2 365.437 2.020 20 30 FEEDLO COCCO[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000179353706 546938460 /nfs/dbraw/zinc/93/84/60/546938460.db2.gz FUHUWZOCLJXPKY-OAHLLOKOSA-N 1 2 351.834 2.278 20 30 FEEDLO COCCO[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000179353706 546938464 /nfs/dbraw/zinc/93/84/64/546938464.db2.gz FUHUWZOCLJXPKY-OAHLLOKOSA-N 1 2 351.834 2.278 20 30 FEEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)CSc2[nH+]cc3ccccn32)CC1 ZINC000180494355 547119284 /nfs/dbraw/zinc/11/92/84/547119284.db2.gz ZPIGITFWNFDCMT-MRXNPFEDSA-N 1 2 357.483 2.119 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1ccc(C(F)(F)F)cc1O ZINC000180587996 547136924 /nfs/dbraw/zinc/13/69/24/547136924.db2.gz BZFVSOUCMQIUDV-UHFFFAOYSA-N 1 2 371.359 2.099 20 30 FEEDLO CCN(C)c1ccc(C[N@@H+]2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)cn1 ZINC000483248392 561271713 /nfs/dbraw/zinc/27/17/13/561271713.db2.gz QFLYVODAWOSKPJ-IERDGZPVSA-N 1 2 361.449 2.383 20 30 FEEDLO CCN(C)c1ccc(C[N@H+]2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)cn1 ZINC000483248392 561271714 /nfs/dbraw/zinc/27/17/14/561271714.db2.gz QFLYVODAWOSKPJ-IERDGZPVSA-N 1 2 361.449 2.383 20 30 FEEDLO C[N@@H+]1CCO[C@@H]([C@H](NC(=O)c2c[nH]c(C#N)c2)c2ccc(Cl)cc2)C1 ZINC000181373425 547302480 /nfs/dbraw/zinc/30/24/80/547302480.db2.gz VDKLHRHUFHHWSV-IAGOWNOFSA-N 1 2 358.829 2.341 20 30 FEEDLO C[N@H+]1CCO[C@@H]([C@H](NC(=O)c2c[nH]c(C#N)c2)c2ccc(Cl)cc2)C1 ZINC000181373425 547302483 /nfs/dbraw/zinc/30/24/83/547302483.db2.gz VDKLHRHUFHHWSV-IAGOWNOFSA-N 1 2 358.829 2.341 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC(C)(C)O[C@]2(CCCOC2)C1 ZINC000483351055 561274747 /nfs/dbraw/zinc/27/47/47/561274747.db2.gz FPEMZXVSVNLVET-ATZDWAIDSA-N 1 2 351.491 2.089 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC(C)(C)O[C@]2(CCCOC2)C1 ZINC000483351055 561274748 /nfs/dbraw/zinc/27/47/48/561274748.db2.gz FPEMZXVSVNLVET-ATZDWAIDSA-N 1 2 351.491 2.089 20 30 FEEDLO C[N@H+](CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)Cc1ccco1 ZINC000182663105 547529189 /nfs/dbraw/zinc/52/91/89/547529189.db2.gz QJTPKTSLYHKOIF-IBGZPJMESA-N 1 2 370.428 2.260 20 30 FEEDLO C[N@@H+](CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)Cc1ccco1 ZINC000182663105 547529192 /nfs/dbraw/zinc/52/91/92/547529192.db2.gz QJTPKTSLYHKOIF-IBGZPJMESA-N 1 2 370.428 2.260 20 30 FEEDLO C[C@H](C#N)CNC(=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000182786183 547551913 /nfs/dbraw/zinc/55/19/13/547551913.db2.gz PQNLQKJVJDMPMG-CQSZACIVSA-N 1 2 350.850 2.206 20 30 FEEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1)C1CC1 ZINC000182817068 547557135 /nfs/dbraw/zinc/55/71/35/547557135.db2.gz DVACTZJRYRTAGX-BBRMVZONSA-N 1 2 369.391 2.347 20 30 FEEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1)C1CC1 ZINC000182817068 547557138 /nfs/dbraw/zinc/55/71/38/547557138.db2.gz DVACTZJRYRTAGX-BBRMVZONSA-N 1 2 369.391 2.347 20 30 FEEDLO Cc1nc(N2CCN(C(=O)Nc3ccccc3O[C@@H](C)C#N)CC2)cc[nH+]1 ZINC000184434789 547826700 /nfs/dbraw/zinc/82/67/00/547826700.db2.gz JLCAHTGOVCNCSE-AWEZNQCLSA-N 1 2 366.425 2.430 20 30 FEEDLO N#Cc1ccc(N2C(=O)C[C@@H]([N@@H+]3CC[C@@]4(C3)OCc3ccccc34)C2=O)cc1 ZINC000184562772 547845866 /nfs/dbraw/zinc/84/58/66/547845866.db2.gz IIBFODLOSOAKDJ-KNQAVFIVSA-N 1 2 373.412 2.322 20 30 FEEDLO N#Cc1ccc(N2C(=O)C[C@@H]([N@H+]3CC[C@@]4(C3)OCc3ccccc34)C2=O)cc1 ZINC000184562772 547845868 /nfs/dbraw/zinc/84/58/68/547845868.db2.gz IIBFODLOSOAKDJ-KNQAVFIVSA-N 1 2 373.412 2.322 20 30 FEEDLO C[C@@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1nc(C(C)(C)C)no1 ZINC000185164060 547943943 /nfs/dbraw/zinc/94/39/43/547943943.db2.gz RYLNCDGGPCVCER-GFCCVEGCSA-N 1 2 362.455 2.363 20 30 FEEDLO C[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1nc(C(C)(C)C)no1 ZINC000185171919 547946073 /nfs/dbraw/zinc/94/60/73/547946073.db2.gz VTDNGLBVZFXLHY-LBPRGKRZSA-N 1 2 362.455 2.363 20 30 FEEDLO C[C@H]([NH2+]CC(=O)N(CCC#N)CCC#N)c1nc(C2CCCCC2)no1 ZINC000185265615 547961550 /nfs/dbraw/zinc/96/15/50/547961550.db2.gz VLXNRYVDXYNCFV-AWEZNQCLSA-N 1 2 358.446 2.424 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCCC[C@@]2(C)C(N)=O)c1 ZINC000185919099 548058733 /nfs/dbraw/zinc/05/87/33/548058733.db2.gz NMTIOJKECUCAPX-FQEVSTJZSA-N 1 2 356.470 2.280 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCCC[C@@]2(C)C(N)=O)c1 ZINC000185919099 548058741 /nfs/dbraw/zinc/05/87/41/548058741.db2.gz NMTIOJKECUCAPX-FQEVSTJZSA-N 1 2 356.470 2.280 20 30 FEEDLO C=CC[C@H](C(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1)c1ccccc1 ZINC000187645088 548261581 /nfs/dbraw/zinc/26/15/81/548261581.db2.gz HDYDQPHDDOQZJI-LPHOPBHVSA-N 1 2 355.482 2.158 20 30 FEEDLO COC[C@@H]1C[N@@H+]([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C[C@H](C)O1 ZINC000189414867 548301975 /nfs/dbraw/zinc/30/19/75/548301975.db2.gz WTPYQWNMTYDCKM-FNYPPERVSA-N 1 2 351.491 2.041 20 30 FEEDLO COC[C@@H]1C[N@H+]([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C[C@H](C)O1 ZINC000189414867 548301979 /nfs/dbraw/zinc/30/19/79/548301979.db2.gz WTPYQWNMTYDCKM-FNYPPERVSA-N 1 2 351.491 2.041 20 30 FEEDLO C=C(C)CS(=O)(=O)NCCC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000189551727 548305269 /nfs/dbraw/zinc/30/52/69/548305269.db2.gz MYDCTFPBBYKEEI-UHFFFAOYSA-N 1 2 371.934 2.348 20 30 FEEDLO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCO[C@@H](c2cnn(CC)c2)C1 ZINC000190760163 548333597 /nfs/dbraw/zinc/33/35/97/548333597.db2.gz HYSCQULEBVTMTG-PZJWPPBQSA-N 1 2 371.481 2.445 20 30 FEEDLO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCO[C@@H](c2cnn(CC)c2)C1 ZINC000190760163 548333602 /nfs/dbraw/zinc/33/36/02/548333602.db2.gz HYSCQULEBVTMTG-PZJWPPBQSA-N 1 2 371.481 2.445 20 30 FEEDLO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCO[C@H](c2cnn(CC)c2)C1 ZINC000190760146 548334209 /nfs/dbraw/zinc/33/42/09/548334209.db2.gz HYSCQULEBVTMTG-FPOVZHCZSA-N 1 2 371.481 2.445 20 30 FEEDLO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCO[C@H](c2cnn(CC)c2)C1 ZINC000190760146 548334211 /nfs/dbraw/zinc/33/42/11/548334211.db2.gz HYSCQULEBVTMTG-FPOVZHCZSA-N 1 2 371.481 2.445 20 30 FEEDLO C=CCN(CCOC)C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000191129084 548340225 /nfs/dbraw/zinc/34/02/25/548340225.db2.gz NHQSCKNBGUTMHT-LJQANCHMSA-N 1 2 361.486 2.212 20 30 FEEDLO C=CCCC[C@H](C)NC(=O)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000487784271 561375670 /nfs/dbraw/zinc/37/56/70/561375670.db2.gz SHXBJZUZBVODND-KRWDZBQOSA-N 1 2 368.481 2.063 20 30 FEEDLO Cc1cc(C[NH+]2CCN([C@H](C)C(=O)NC3CCCC3)CC2)ccc1C#N ZINC000487863697 561377601 /nfs/dbraw/zinc/37/76/01/561377601.db2.gz VOKLWGHBAILXCR-QGZVFWFLSA-N 1 2 354.498 2.432 20 30 FEEDLO Cc1cc(CN2CC[NH+]([C@H](C)C(=O)NC3CCCC3)CC2)ccc1C#N ZINC000487863697 561377602 /nfs/dbraw/zinc/37/76/02/561377602.db2.gz VOKLWGHBAILXCR-QGZVFWFLSA-N 1 2 354.498 2.432 20 30 FEEDLO C[N@@H+]1CCO[C@H]([C@@H](NC(=O)CSCC#N)c2ccc(Cl)cc2)C1 ZINC000245793240 548995418 /nfs/dbraw/zinc/99/54/18/548995418.db2.gz XRICCCCEOKQTMV-HOCLYGCPSA-N 1 2 353.875 2.085 20 30 FEEDLO C[N@H+]1CCO[C@H]([C@@H](NC(=O)CSCC#N)c2ccc(Cl)cc2)C1 ZINC000245793240 548995423 /nfs/dbraw/zinc/99/54/23/548995423.db2.gz XRICCCCEOKQTMV-HOCLYGCPSA-N 1 2 353.875 2.085 20 30 FEEDLO N#Cc1cccc(-c2nnc(C[NH+]3CCC(Oc4cnccn4)CC3)o2)c1 ZINC000488765778 561396495 /nfs/dbraw/zinc/39/64/95/561396495.db2.gz TZINWOYWJNPJQQ-UHFFFAOYSA-N 1 2 362.393 2.442 20 30 FEEDLO Cc1[nH+]c2ccccc2n1CCNS(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000489104152 561403404 /nfs/dbraw/zinc/40/34/04/561403404.db2.gz IWXQFFRHNCJMDP-UHFFFAOYSA-N 1 2 358.398 2.334 20 30 FEEDLO COC(=O)[C@@H](C)[N@H+](C1CCC1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000248729014 549491547 /nfs/dbraw/zinc/49/15/47/549491547.db2.gz IUIZMCSSUYDEQX-KDOFPFPSSA-N 1 2 355.438 2.470 20 30 FEEDLO COC(=O)[C@@H](C)[N@@H+](C1CCC1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000248729014 549491550 /nfs/dbraw/zinc/49/15/50/549491550.db2.gz IUIZMCSSUYDEQX-KDOFPFPSSA-N 1 2 355.438 2.470 20 30 FEEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCO[C@@]3(CCOC3)C2)cc1 ZINC000248905348 549525311 /nfs/dbraw/zinc/52/53/11/549525311.db2.gz BCXGXTLXEMIOMB-PXNSSMCTSA-N 1 2 357.454 2.122 20 30 FEEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CCO[C@@]3(CCOC3)C2)cc1 ZINC000248905348 549525317 /nfs/dbraw/zinc/52/53/17/549525317.db2.gz BCXGXTLXEMIOMB-PXNSSMCTSA-N 1 2 357.454 2.122 20 30 FEEDLO CN1c2ccccc2N(C)C1=C1C(=O)CN([C@@H]2C[C@@H]3OCCC[C@@H]23)C1=[NH2+] ZINC000249959211 549636236 /nfs/dbraw/zinc/63/62/36/549636236.db2.gz WFNUFLRHFZRAJQ-MJEQTWJJSA-N 1 2 352.438 2.214 20 30 FEEDLO C=CC[C@@H](C(=O)N[C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O)c1ccccc1 ZINC000490270988 561430114 /nfs/dbraw/zinc/43/01/14/561430114.db2.gz MLIZUJHFPKOXHA-QZTJIDSGSA-N 1 2 366.465 2.387 20 30 FEEDLO C=CC[N@@H+](C[C@@H](O)c1ccc(Br)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000264525853 549997415 /nfs/dbraw/zinc/99/74/15/549997415.db2.gz BSWLAQXWPKBCLI-LSDHHAIUSA-N 1 2 374.300 2.158 20 30 FEEDLO C=CC[N@H+](C[C@@H](O)c1ccc(Br)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000264525853 549997418 /nfs/dbraw/zinc/99/74/18/549997418.db2.gz BSWLAQXWPKBCLI-LSDHHAIUSA-N 1 2 374.300 2.158 20 30 FEEDLO COc1ccc(C(N)=[NH+]O[C@H](C)C(=O)N[C@@H]2CCOc3ccccc32)cc1 ZINC000264949468 550004141 /nfs/dbraw/zinc/00/41/41/550004141.db2.gz KQTBLPYJUVCKDH-CXAGYDPISA-N 1 2 369.421 2.361 20 30 FEEDLO C#CCOc1ccccc1CNC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000265141037 550006576 /nfs/dbraw/zinc/00/65/76/550006576.db2.gz JILGKASPQISXSY-UHFFFAOYSA-N 1 2 350.422 2.125 20 30 FEEDLO COc1cccc(C(N)=[NH+]OCC(=O)N[C@@H](C)c2ccccc2OC)c1 ZINC000266202008 550018485 /nfs/dbraw/zinc/01/84/85/550018485.db2.gz LJHPNGWSIIYTKT-ZDUSSCGKSA-N 1 2 357.410 2.218 20 30 FEEDLO C=CCNc1ncc(C(=O)N2CCN(C3=[NH+]CC(C)(C)S3)CC2)s1 ZINC000269547713 550205680 /nfs/dbraw/zinc/20/56/80/550205680.db2.gz SAFGKAKQXMFCRM-UHFFFAOYSA-N 1 2 365.528 2.380 20 30 FEEDLO C[C@@H](Cn1cc[nH+]c1)NS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000269698909 550218171 /nfs/dbraw/zinc/21/81/71/550218171.db2.gz ZXQGWBKFNHGSAJ-JTQLQIEISA-N 1 2 358.345 2.141 20 30 FEEDLO CC[N@H+](CCS(C)(=O)=O)Cc1ccc(OC)c(OCCCC#N)c1 ZINC000271197525 550351630 /nfs/dbraw/zinc/35/16/30/550351630.db2.gz UWQIOUOKGWXXQT-UHFFFAOYSA-N 1 2 354.472 2.244 20 30 FEEDLO CC[N@@H+](CCS(C)(=O)=O)Cc1ccc(OC)c(OCCCC#N)c1 ZINC000271197525 550351632 /nfs/dbraw/zinc/35/16/32/550351632.db2.gz UWQIOUOKGWXXQT-UHFFFAOYSA-N 1 2 354.472 2.244 20 30 FEEDLO CC(C)C(=O)N1CC[NH+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000272307770 550436623 /nfs/dbraw/zinc/43/66/23/550436623.db2.gz RCVIRRXVOQVAGS-UHFFFAOYSA-N 1 2 351.454 2.259 20 30 FEEDLO COc1cc(OC)cc([C@@H](NC(=O)NCCCC#N)c2[nH+]ccn2C)c1 ZINC000273568621 550503279 /nfs/dbraw/zinc/50/32/79/550503279.db2.gz OBUZHLJPGNIDCZ-MRXNPFEDSA-N 1 2 357.414 2.130 20 30 FEEDLO CO[C@H](C)c1nc(C[N@@H+]2CCCN(c3cnc(C#N)cn3)CC2)cs1 ZINC000274699933 550549837 /nfs/dbraw/zinc/54/98/37/550549837.db2.gz PIJRUNVKTAKQQG-CYBMUJFWSA-N 1 2 358.471 2.224 20 30 FEEDLO CO[C@H](C)c1nc(C[N@H+]2CCCN(c3cnc(C#N)cn3)CC2)cs1 ZINC000274699933 550549839 /nfs/dbraw/zinc/54/98/39/550549839.db2.gz PIJRUNVKTAKQQG-CYBMUJFWSA-N 1 2 358.471 2.224 20 30 FEEDLO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cn[nH]c1-c1cnn(C)c1)C(C)C ZINC000275498682 550572508 /nfs/dbraw/zinc/57/25/08/550572508.db2.gz LEVWWAQJNXLDIV-KRWDZBQOSA-N 1 2 356.474 2.239 20 30 FEEDLO C[C@@H](C#N)CN(C)C(=O)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000275629157 550573233 /nfs/dbraw/zinc/57/32/33/550573233.db2.gz BSRPJDVQDZPAPA-AWEZNQCLSA-N 1 2 363.421 2.158 20 30 FEEDLO C[C@H](C#N)CN(C)C(=O)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000275743227 550574111 /nfs/dbraw/zinc/57/41/11/550574111.db2.gz WXDUUUXHYSUYHU-CQSZACIVSA-N 1 2 365.437 2.443 20 30 FEEDLO COC(=O)[C@H]1CC[N@H+](CC(=O)Nc2ccccc2SCC#N)C[C@H]1C ZINC000276387981 550578583 /nfs/dbraw/zinc/57/85/83/550578583.db2.gz HVOMEFONWQSJCS-KGLIPLIRSA-N 1 2 361.467 2.372 20 30 FEEDLO COC(=O)[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2SCC#N)C[C@H]1C ZINC000276387981 550578584 /nfs/dbraw/zinc/57/85/84/550578584.db2.gz HVOMEFONWQSJCS-KGLIPLIRSA-N 1 2 361.467 2.372 20 30 FEEDLO C#CC[C@]1(C(=O)NCCCn2cc[nH+]c2)CCCN1C(=O)OC(C)(C)C ZINC000277560330 550684412 /nfs/dbraw/zinc/68/44/12/550684412.db2.gz UDCCUUDZNHOFTA-LJQANCHMSA-N 1 2 360.458 2.182 20 30 FEEDLO COCCSCCCO[NH+]=C(N)c1ccc(N2CCCCC2)nc1 ZINC000278177763 550757607 /nfs/dbraw/zinc/75/76/07/550757607.db2.gz CAJOKCKPJQXGPV-UHFFFAOYSA-N 1 2 352.504 2.479 20 30 FEEDLO C#CCn1ccc(C[N@@H+](CC)[C@@H](C)C(=O)N[C@H]2CCOc3ccccc32)n1 ZINC000279668530 550914829 /nfs/dbraw/zinc/91/48/29/550914829.db2.gz DWTLSVVPMQMJOY-LPHOPBHVSA-N 1 2 366.465 2.367 20 30 FEEDLO C#CCn1ccc(C[N@H+](CC)[C@@H](C)C(=O)N[C@H]2CCOc3ccccc32)n1 ZINC000279668530 550914831 /nfs/dbraw/zinc/91/48/31/550914831.db2.gz DWTLSVVPMQMJOY-LPHOPBHVSA-N 1 2 366.465 2.367 20 30 FEEDLO Cc1cccc(N(CCC#N)C(=O)CN(C)[C@@H](C)C[NH+]2CCOCC2)c1C ZINC000279737950 550923345 /nfs/dbraw/zinc/92/33/45/550923345.db2.gz OJNNWNLAUBUAIO-SFHVURJKSA-N 1 2 372.513 2.203 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2C[C@@H](C)O[C@]3(CCOC3)C2)c1 ZINC000280271963 550975883 /nfs/dbraw/zinc/97/58/83/550975883.db2.gz CVPUCOULWQAFFP-WIYYLYMNSA-N 1 2 371.481 2.430 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2C[C@@H](C)O[C@]3(CCOC3)C2)c1 ZINC000280271963 550975884 /nfs/dbraw/zinc/97/58/84/550975884.db2.gz CVPUCOULWQAFFP-WIYYLYMNSA-N 1 2 371.481 2.430 20 30 FEEDLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)c3cc(C#N)oc3C)c2)CC1 ZINC000280877774 551041515 /nfs/dbraw/zinc/04/15/15/551041515.db2.gz OVUKMJCJTQPDQD-UHFFFAOYSA-N 1 2 366.421 2.376 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+]2CCCC[C@H]2c2nnc(C3CCOCC3)o2)C1=O ZINC000281292283 551081739 /nfs/dbraw/zinc/08/17/39/551081739.db2.gz JHAQIYXNVTVJDR-HOTGVXAUSA-N 1 2 360.458 2.278 20 30 FEEDLO C=CCN1CC[C@H]([N@H+]2CCCC[C@H]2c2nnc(C3CCOCC3)o2)C1=O ZINC000281292283 551081741 /nfs/dbraw/zinc/08/17/41/551081741.db2.gz JHAQIYXNVTVJDR-HOTGVXAUSA-N 1 2 360.458 2.278 20 30 FEEDLO N#CC1CCC(CNC(=O)NCc2ccc[nH+]c2N2CCOCC2)CC1 ZINC000281943361 551160783 /nfs/dbraw/zinc/16/07/83/551160783.db2.gz TZCYJQUWSQLNIV-UHFFFAOYSA-N 1 2 357.458 2.047 20 30 FEEDLO COc1cc(C[NH+]2CCN(C(=O)c3cccc(O)c3)CC2)ccc1C#N ZINC000282129293 551184611 /nfs/dbraw/zinc/18/46/11/551184611.db2.gz BIXZFSYHIKOYFL-UHFFFAOYSA-N 1 2 351.406 2.230 20 30 FEEDLO C=CCn1c(-c2ccc(C)o2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000282234948 551198961 /nfs/dbraw/zinc/19/89/61/551198961.db2.gz JQLKFHLTXTYFRV-UHFFFAOYSA-N 1 2 365.441 2.458 20 30 FEEDLO C=CCn1c([C@H](C)CC)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000282669663 551257903 /nfs/dbraw/zinc/25/79/03/551257903.db2.gz RWHWEBBDQOQQQS-SJORKVTESA-N 1 2 374.533 2.111 20 30 FEEDLO C[C@@H](CC#N)N(C)S(=O)(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000283037624 551301591 /nfs/dbraw/zinc/30/15/91/551301591.db2.gz QZBHTWKTPZEWGU-WFASDCNBSA-N 1 2 358.895 2.011 20 30 FEEDLO NC(=[NH+]OCc1nc(-c2cccc(Br)c2)no1)[C@@H]1CCCO1 ZINC000284452972 551552066 /nfs/dbraw/zinc/55/20/66/551552066.db2.gz QCTGPOJKNWPWMP-NSHDSACASA-N 1 2 367.203 2.467 20 30 FEEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)CO[NH+]=C(N)[C@@H]1CCCO1 ZINC000284565310 551578620 /nfs/dbraw/zinc/57/86/20/551578620.db2.gz WQDXCXPECZTTNF-OCCSQVGLSA-N 1 2 362.455 2.487 20 30 FEEDLO Cc1onc(CC(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)c1C#N ZINC000498546609 561527633 /nfs/dbraw/zinc/52/76/33/561527633.db2.gz MKNNYNPKCOBHIY-UHFFFAOYSA-N 1 2 353.426 2.489 20 30 FEEDLO C[C@H](CNC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1)Cn1cc[nH+]c1 ZINC000286154628 551855169 /nfs/dbraw/zinc/85/51/69/551855169.db2.gz HUZMQCOGTWIFLM-GDBMZVCRSA-N 1 2 355.417 2.173 20 30 FEEDLO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(c3cnccc3C#N)C2)CC1 ZINC000286332026 551875241 /nfs/dbraw/zinc/87/52/41/551875241.db2.gz JEKGYMXNYGVYSA-MRXNPFEDSA-N 1 2 357.458 2.085 20 30 FEEDLO CNC(=O)OC[C@H]1CCCC[N@@H+]1CC(=O)Nc1sc(C)c(C)c1C#N ZINC000286975142 551946985 /nfs/dbraw/zinc/94/69/85/551946985.db2.gz OFTRNAOJHVJZQM-CYBMUJFWSA-N 1 2 364.471 2.386 20 30 FEEDLO CNC(=O)OC[C@H]1CCCC[N@H+]1CC(=O)Nc1sc(C)c(C)c1C#N ZINC000286975142 551946987 /nfs/dbraw/zinc/94/69/87/551946987.db2.gz OFTRNAOJHVJZQM-CYBMUJFWSA-N 1 2 364.471 2.386 20 30 FEEDLO C[C@H](C#N)Oc1ccccc1NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000287099047 551963398 /nfs/dbraw/zinc/96/33/98/551963398.db2.gz KRIUIKHXFMZNDJ-XHSDSOJGSA-N 1 2 358.442 2.304 20 30 FEEDLO C=CCN1CC[C@@H]([N@H+]2CCCC[C@H]2c2nnc(CC(F)(F)F)o2)C1=O ZINC000287217043 551977307 /nfs/dbraw/zinc/97/73/07/551977307.db2.gz FGHNAMQZYANHCP-NWDGAFQWSA-N 1 2 358.364 2.488 20 30 FEEDLO C=CCN1CC[C@@H]([N@@H+]2CCCC[C@H]2c2nnc(CC(F)(F)F)o2)C1=O ZINC000287217043 551977309 /nfs/dbraw/zinc/97/73/09/551977309.db2.gz FGHNAMQZYANHCP-NWDGAFQWSA-N 1 2 358.364 2.488 20 30 FEEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)N(CCC)Cc2ccc(C)cc2)C1=O ZINC000499940603 561562487 /nfs/dbraw/zinc/56/24/87/561562487.db2.gz RVEBHCXXPFPLLD-LJQANCHMSA-N 1 2 357.498 2.452 20 30 FEEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)N(CCC)Cc2ccc(C)cc2)C1=O ZINC000499940603 561562488 /nfs/dbraw/zinc/56/24/88/561562488.db2.gz RVEBHCXXPFPLLD-LJQANCHMSA-N 1 2 357.498 2.452 20 30 FEEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)C1=O ZINC000499960111 561563049 /nfs/dbraw/zinc/56/30/49/561563049.db2.gz BZQFYRIUIUUOOH-CVEARBPZSA-N 1 2 365.836 2.303 20 30 FEEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)C1=O ZINC000499960111 561563050 /nfs/dbraw/zinc/56/30/50/561563050.db2.gz BZQFYRIUIUUOOH-CVEARBPZSA-N 1 2 365.836 2.303 20 30 FEEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)NC[C@H](c2ccccc2)C(C)C)C1=O ZINC000499994865 561563686 /nfs/dbraw/zinc/56/36/86/561563686.db2.gz HYWINSOUJPXNEM-RBUKOAKNSA-N 1 2 357.498 2.261 20 30 FEEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)NC[C@H](c2ccccc2)C(C)C)C1=O ZINC000499994865 561563687 /nfs/dbraw/zinc/56/36/87/561563687.db2.gz HYWINSOUJPXNEM-RBUKOAKNSA-N 1 2 357.498 2.261 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)C(=O)N2c3ccccc3CC[C@H]2C)C1=O ZINC000500020777 561564273 /nfs/dbraw/zinc/56/42/73/561564273.db2.gz SKGIQYOROKWZHB-GJYPPUQNSA-N 1 2 355.482 2.462 20 30 FEEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)C(=O)N2c3ccccc3CC[C@H]2C)C1=O ZINC000500020777 561564274 /nfs/dbraw/zinc/56/42/74/561564274.db2.gz SKGIQYOROKWZHB-GJYPPUQNSA-N 1 2 355.482 2.462 20 30 FEEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2coc(-c3ccc(C(=O)OC)cc3)n2)C1=O ZINC000500022589 561564282 /nfs/dbraw/zinc/56/42/82/561564282.db2.gz CQOMLJFLCYMGAL-QGZVFWFLSA-N 1 2 369.421 2.347 20 30 FEEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2coc(-c3ccc(C(=O)OC)cc3)n2)C1=O ZINC000500022589 561564283 /nfs/dbraw/zinc/56/42/83/561564283.db2.gz CQOMLJFLCYMGAL-QGZVFWFLSA-N 1 2 369.421 2.347 20 30 FEEDLO COc1cc[nH+]c(CN2CCN(c3snc(C)c3C#N)CC2)c1OC ZINC000289369130 552309004 /nfs/dbraw/zinc/30/90/04/552309004.db2.gz BARWLECOONUMJS-UHFFFAOYSA-N 1 2 359.455 2.058 20 30 FEEDLO N#Cc1ccc(Br)c(C[N@@H+]2CCC[C@@H](c3nc(=O)[nH][nH]3)C2)c1 ZINC000289504624 552332044 /nfs/dbraw/zinc/33/20/44/552332044.db2.gz UMJMBUHHJKYLPA-LLVKDONJSA-N 1 2 362.231 2.112 20 30 FEEDLO N#Cc1ccc(Br)c(C[N@H+]2CCC[C@@H](c3nc(=O)[nH][nH]3)C2)c1 ZINC000289504624 552332046 /nfs/dbraw/zinc/33/20/46/552332046.db2.gz UMJMBUHHJKYLPA-LLVKDONJSA-N 1 2 362.231 2.112 20 30 FEEDLO Cc1cc[nH+]cc1N1CCN(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CC1 ZINC000500690336 561579539 /nfs/dbraw/zinc/57/95/39/561579539.db2.gz UQANXSHVWQFXSR-FQEVSTJZSA-N 1 2 372.469 2.300 20 30 FEEDLO CCCO[C@@H]1CCC[N@H+](CCS(=O)(=O)c2ccc(C#N)cn2)CC1 ZINC000290147584 552434718 /nfs/dbraw/zinc/43/47/18/552434718.db2.gz CNYGNJBLNRFSRN-MRXNPFEDSA-N 1 2 351.472 2.008 20 30 FEEDLO CCCO[C@@H]1CCC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cn2)CC1 ZINC000290147584 552434722 /nfs/dbraw/zinc/43/47/22/552434722.db2.gz CNYGNJBLNRFSRN-MRXNPFEDSA-N 1 2 351.472 2.008 20 30 FEEDLO C[C@@H](C(=O)NCc1cccs1)[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292042908 552687573 /nfs/dbraw/zinc/68/75/73/552687573.db2.gz ASDYDOLESLKHFE-DZGCQCFKSA-N 1 2 356.451 2.173 20 30 FEEDLO C[C@@H](C(=O)NCc1cccs1)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292042908 552687574 /nfs/dbraw/zinc/68/75/74/552687574.db2.gz ASDYDOLESLKHFE-DZGCQCFKSA-N 1 2 356.451 2.173 20 30 FEEDLO Cc1noc(C)c1C[NH+]1CCN(C(=O)c2cc(C#N)cc(N(C)C)c2)CC1 ZINC000292560974 552738413 /nfs/dbraw/zinc/73/84/13/552738413.db2.gz GRLWUMGVNPZQNT-UHFFFAOYSA-N 1 2 367.453 2.187 20 30 FEEDLO CCn1cc[nH+]c1[C@H]1CCCCN1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000293677825 552846287 /nfs/dbraw/zinc/84/62/87/552846287.db2.gz AEZLOHWMHVRQGD-MRXNPFEDSA-N 1 2 373.482 2.171 20 30 FEEDLO C=CCOc1ccc(CC(=O)NCc2ccc(N3CCOCC3)[nH+]c2)cc1 ZINC000294300433 552895290 /nfs/dbraw/zinc/89/52/90/552895290.db2.gz FSGDHFWEQHWWCM-UHFFFAOYSA-N 1 2 367.449 2.342 20 30 FEEDLO C[C@H]1CN(c2ccc(CNC(=O)[C@]3(C#N)CC34CCCC4)c[nH+]2)CCO1 ZINC000294546002 552914534 /nfs/dbraw/zinc/91/45/34/552914534.db2.gz QORCUPHWTOZFSA-MGPUTAFESA-N 1 2 354.454 2.397 20 30 FEEDLO CCOC(=O)c1cc(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)[nH]c1C ZINC000294558151 552915551 /nfs/dbraw/zinc/91/55/51/552915551.db2.gz LXIVEHHPECIBPZ-UHFFFAOYSA-N 1 2 353.426 2.089 20 30 FEEDLO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)[C@@]2(C#N)CC23CCCC3)CC1 ZINC000295268774 552978956 /nfs/dbraw/zinc/97/89/56/552978956.db2.gz OGYWCRRMECNHMS-FQEVSTJZSA-N 1 2 355.486 2.155 20 30 FEEDLO C[N@H+](CCNC(=O)OC(C)(C)C)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000297285650 553273465 /nfs/dbraw/zinc/27/34/65/553273465.db2.gz ABRYDXXSLQTGFM-MRXNPFEDSA-N 1 2 358.442 2.120 20 30 FEEDLO C[N@@H+](CCNC(=O)OC(C)(C)C)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000297285650 553273467 /nfs/dbraw/zinc/27/34/67/553273467.db2.gz ABRYDXXSLQTGFM-MRXNPFEDSA-N 1 2 358.442 2.120 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)CC(=O)N(C)[C@H](C)c1ccccc1 ZINC000503255483 561638056 /nfs/dbraw/zinc/63/80/56/561638056.db2.gz IBMHTGMJEIXVHC-UZLBHIALSA-N 1 2 358.486 2.192 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)CC(=O)N(C)[C@H](C)c1ccccc1 ZINC000503255483 561638057 /nfs/dbraw/zinc/63/80/57/561638057.db2.gz IBMHTGMJEIXVHC-UZLBHIALSA-N 1 2 358.486 2.192 20 30 FEEDLO CC[C@@H]1c2ccsc2CCN1C(=O)C(=O)N1CCC(C#N)([NH+](C)C)CC1 ZINC000298226753 553400546 /nfs/dbraw/zinc/40/05/46/553400546.db2.gz ASMSNFZZCPKHBO-OAHLLOKOSA-N 1 2 374.510 2.030 20 30 FEEDLO Cc1noc(C)c1C[NH+]1CCN(C(=O)[C@@H](C)Oc2ccc(C#N)cc2)CC1 ZINC000298426175 553423810 /nfs/dbraw/zinc/42/38/10/553423810.db2.gz MZLRUWPNLCBYNM-MRXNPFEDSA-N 1 2 368.437 2.275 20 30 FEEDLO CCCC[N@H+](CC(N)=O)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000298585951 553444961 /nfs/dbraw/zinc/44/49/61/553444961.db2.gz SCWMAIOWWTVQDF-UHFFFAOYSA-N 1 2 350.850 2.174 20 30 FEEDLO CCCC[N@@H+](CC(N)=O)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000298585951 553444963 /nfs/dbraw/zinc/44/49/63/553444963.db2.gz SCWMAIOWWTVQDF-UHFFFAOYSA-N 1 2 350.850 2.174 20 30 FEEDLO COc1ccc(C(N)=[NH+]OCC(=O)N[C@@H](C)c2ccccc2OC)cc1 ZINC000298750934 553468219 /nfs/dbraw/zinc/46/82/19/553468219.db2.gz KYKWHLJXOYZVEJ-ZDUSSCGKSA-N 1 2 357.410 2.218 20 30 FEEDLO COc1cc(C(=[NH2+])NOC=C(O)c2cccn2C)cc(Cl)c1OC ZINC000299206534 553530529 /nfs/dbraw/zinc/53/05/29/553530529.db2.gz DWQLVBSBKKVWQM-UHFFFAOYSA-N 1 2 351.790 2.216 20 30 FEEDLO COc1cc(C(N)=[NH+]OCC(=O)c2cccn2C)cc(Cl)c1OC ZINC000299206534 553530532 /nfs/dbraw/zinc/53/05/32/553530532.db2.gz DWQLVBSBKKVWQM-UHFFFAOYSA-N 1 2 351.790 2.216 20 30 FEEDLO CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000504076766 561652812 /nfs/dbraw/zinc/65/28/12/561652812.db2.gz OXLXICGSGPIFLB-HXUWFJFHSA-N 1 2 372.469 2.428 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)CCCOc1ccccc1F ZINC000299489531 553570522 /nfs/dbraw/zinc/57/05/22/553570522.db2.gz CBEVSJUGOLGCEX-UHFFFAOYSA-N 1 2 363.433 2.059 20 30 FEEDLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000299580535 553584268 /nfs/dbraw/zinc/58/42/68/553584268.db2.gz CZRDFYZIDFXVQO-INIZCTEOSA-N 1 2 363.465 2.239 20 30 FEEDLO N#Cc1cc(N2CC[NH+]([C@@H](C(N)=O)c3ccccc3)CC2)c2ccccc2n1 ZINC000301333501 553642764 /nfs/dbraw/zinc/64/27/64/553642764.db2.gz FIHOVMZLAVWDKJ-OAQYLSRUSA-N 1 2 371.444 2.455 20 30 FEEDLO CCN(CC)C(=O)C[NH+]1CCN(c2ccc3cc(C#N)ccc3n2)CC1 ZINC000301836380 553684084 /nfs/dbraw/zinc/68/40/84/553684084.db2.gz XGLWUQMSKGPIPS-UHFFFAOYSA-N 1 2 351.454 2.097 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cnc([C@@H]2CCCO2)s1 ZINC000505268123 561668922 /nfs/dbraw/zinc/66/89/22/561668922.db2.gz YVSRBVUIGNHTBW-INIZCTEOSA-N 1 2 350.488 2.042 20 30 FEEDLO N#Cc1cccc(-c2cc(C(=O)N3CC[NH2+][C@H](c4cccnc4)C3)on2)c1 ZINC000505492294 561672099 /nfs/dbraw/zinc/67/20/99/561672099.db2.gz YKCQADDAWQLBBS-SFHVURJKSA-N 1 2 359.389 2.395 20 30 FEEDLO Cc1ccc(C#N)cc1S(=O)(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000303589388 553746302 /nfs/dbraw/zinc/74/63/02/553746302.db2.gz HEZHUEASGCXEFH-UHFFFAOYSA-N 1 2 356.451 2.209 20 30 FEEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N[C@H](C)c1nnc3n1CCCC3)CCC2 ZINC000328663155 553804206 /nfs/dbraw/zinc/80/42/06/553804206.db2.gz XTMZIIZXABQSRS-KGLIPLIRSA-N 1 2 357.462 2.262 20 30 FEEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC(OC2CCCCC2)CC1 ZINC000328779736 553821204 /nfs/dbraw/zinc/82/12/04/553821204.db2.gz FAWVAEZASSHAAO-MRXNPFEDSA-N 1 2 353.507 2.435 20 30 FEEDLO C[N@@H+]1CC[C@H](NC(=O)NC[C@H](O)C2CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000328811414 553826311 /nfs/dbraw/zinc/82/63/11/553826311.db2.gz FIYWJSWZEYKGIB-HRCADAONSA-N 1 2 355.841 2.499 20 30 FEEDLO C[N@H+]1CC[C@H](NC(=O)NC[C@H](O)C2CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000328811414 553826312 /nfs/dbraw/zinc/82/63/12/553826312.db2.gz FIYWJSWZEYKGIB-HRCADAONSA-N 1 2 355.841 2.499 20 30 FEEDLO CCC1(CC)[C@H](NC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)[C@H](C)[C@H]1OC ZINC000328888635 553839307 /nfs/dbraw/zinc/83/93/07/553839307.db2.gz QFJLNWPWPGLBGQ-DMRKSPOLSA-N 1 2 353.507 2.145 20 30 FEEDLO CCC1(CC)[C@H](NC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)[C@H](C)[C@H]1OC ZINC000328888635 553839311 /nfs/dbraw/zinc/83/93/11/553839311.db2.gz QFJLNWPWPGLBGQ-DMRKSPOLSA-N 1 2 353.507 2.145 20 30 FEEDLO Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000328898633 553840909 /nfs/dbraw/zinc/84/09/09/553840909.db2.gz WTGZFSSVVYXQBD-JQFCIGGWSA-N 1 2 363.506 2.326 20 30 FEEDLO Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000328898633 553840913 /nfs/dbraw/zinc/84/09/13/553840913.db2.gz WTGZFSSVVYXQBD-JQFCIGGWSA-N 1 2 363.506 2.326 20 30 FEEDLO C[N@@H+]1CC[C@H](NC(=O)N2CCc3cncnc3C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000328923887 553845527 /nfs/dbraw/zinc/84/55/27/553845527.db2.gz NHVVIHRSOLADIL-WMZOPIPTSA-N 1 2 373.407 2.472 20 30 FEEDLO C[N@H+]1CC[C@H](NC(=O)N2CCc3cncnc3C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000328923887 553845532 /nfs/dbraw/zinc/84/55/32/553845532.db2.gz NHVVIHRSOLADIL-WMZOPIPTSA-N 1 2 373.407 2.472 20 30 FEEDLO CNC(=O)[C@H]1CN(c2nc(C3CC3)[nH+]c3c2CCC3)C[C@@H]1c1cnn(C)c1 ZINC000328925821 553845938 /nfs/dbraw/zinc/84/59/38/553845938.db2.gz DZQHRHLNAHUGSH-CVEARBPZSA-N 1 2 366.469 2.383 20 30 FEEDLO Cc1ncc(C(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)c(C(C)C)n1 ZINC000328955770 553853167 /nfs/dbraw/zinc/85/31/67/553853167.db2.gz YZVUWKMYLXJDBF-UHFFFAOYSA-N 1 2 373.501 2.157 20 30 FEEDLO C[C@@H](Cc1c(F)cccc1F)NC(=O)C[N@@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C ZINC000328983488 553858484 /nfs/dbraw/zinc/85/84/84/553858484.db2.gz SLFZAIIOMWLKGQ-XZJROXQQSA-N 1 2 366.412 2.155 20 30 FEEDLO C[C@@H](Cc1c(F)cccc1F)NC(=O)C[N@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C ZINC000328983488 553858485 /nfs/dbraw/zinc/85/84/85/553858485.db2.gz SLFZAIIOMWLKGQ-XZJROXQQSA-N 1 2 366.412 2.155 20 30 FEEDLO Cc1cnc([C@H](NC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)C2CC2)s1 ZINC000328989032 553859575 /nfs/dbraw/zinc/85/95/75/553859575.db2.gz FCJLCFDYYJNDIX-SOUVJXGZSA-N 1 2 350.488 2.222 20 30 FEEDLO Cc1cnc([C@H](NC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)C2CC2)s1 ZINC000328989032 553859578 /nfs/dbraw/zinc/85/95/78/553859578.db2.gz FCJLCFDYYJNDIX-SOUVJXGZSA-N 1 2 350.488 2.222 20 30 FEEDLO CCn1cc[nH+]c1[C@@H](NC(=O)N1CCC(OC)CC1)C1CCOCC1 ZINC000328998609 553861299 /nfs/dbraw/zinc/86/12/99/553861299.db2.gz VCHBBJXAYORLHU-INIZCTEOSA-N 1 2 350.463 2.396 20 30 FEEDLO C[C@@H](C(=O)Nc1cccc2ncccc21)[N@@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000329160663 553892385 /nfs/dbraw/zinc/89/23/85/553892385.db2.gz FHLDUIJZIYZNRF-GDZNZVCISA-N 1 2 359.451 2.330 20 30 FEEDLO C[C@@H](C(=O)Nc1cccc2ncccc21)[N@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000329160663 553892386 /nfs/dbraw/zinc/89/23/86/553892386.db2.gz FHLDUIJZIYZNRF-GDZNZVCISA-N 1 2 359.451 2.330 20 30 FEEDLO C[C@H](CNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1)c1ccccc1 ZINC000329165356 553893611 /nfs/dbraw/zinc/89/36/11/553893611.db2.gz HLXKCHPGBXVMAX-YQFWSFKMSA-N 1 2 350.484 2.254 20 30 FEEDLO C[C@H](CNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1)c1ccccc1 ZINC000329165356 553893613 /nfs/dbraw/zinc/89/36/13/553893613.db2.gz HLXKCHPGBXVMAX-YQFWSFKMSA-N 1 2 350.484 2.254 20 30 FEEDLO O=C(N[C@@H]1CC(=O)N(C2CCCCC2)C1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000329172767 553895029 /nfs/dbraw/zinc/89/50/29/553895029.db2.gz LGUJESLACXREBB-OAHLLOKOSA-N 1 2 359.474 2.437 20 30 FEEDLO O=C(N[C@@H]1CC(=O)N(C2CCCCC2)C1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000329172767 553895031 /nfs/dbraw/zinc/89/50/31/553895031.db2.gz LGUJESLACXREBB-OAHLLOKOSA-N 1 2 359.474 2.437 20 30 FEEDLO COc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000329200709 553900842 /nfs/dbraw/zinc/90/08/42/553900842.db2.gz WJLASWOJNPBEMK-AYMQEEERSA-N 1 2 366.483 2.220 20 30 FEEDLO COc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000329200709 553900844 /nfs/dbraw/zinc/90/08/44/553900844.db2.gz WJLASWOJNPBEMK-AYMQEEERSA-N 1 2 366.483 2.220 20 30 FEEDLO C[C@H](NC(=O)[C@@H]1CCCC[C@@H]1C(=O)N1CCCC1)[C@H](C)[NH+]1CCOCC1 ZINC000329226758 553906418 /nfs/dbraw/zinc/90/64/18/553906418.db2.gz ASAPBKMVDFOFOW-FJIDUMEYSA-N 1 2 365.518 2.481 20 30 FEEDLO Cn1cc(C[NH+]2CCN(C(=O)Nc3cnc4c(c3)CCCC4)CC2)cn1 ZINC000329349756 553930170 /nfs/dbraw/zinc/93/01/70/553930170.db2.gz WOQMPMIISPWSHU-UHFFFAOYSA-N 1 2 354.458 2.057 20 30 FEEDLO Cc1cc(NC(=O)NC[C@@H]2C[N@H+](C)CCO2)cnc1N1CCCC[C@@H]1C ZINC000329363670 553932367 /nfs/dbraw/zinc/93/23/67/553932367.db2.gz ZPUIKIIQFWRTJV-DOTOQJQBSA-N 1 2 361.490 2.425 20 30 FEEDLO Cc1cc(NC(=O)NC[C@@H]2C[N@@H+](C)CCO2)cnc1N1CCCC[C@@H]1C ZINC000329363670 553932370 /nfs/dbraw/zinc/93/23/70/553932370.db2.gz ZPUIKIIQFWRTJV-DOTOQJQBSA-N 1 2 361.490 2.425 20 30 FEEDLO C[C@@H]1C[C@H]1C(=O)Nc1ccc(F)cc1C(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000329385023 553936137 /nfs/dbraw/zinc/93/61/37/553936137.db2.gz PEMQTHPFMSLWTC-HQQPKKBNSA-N 1 2 361.417 2.225 20 30 FEEDLO C[C@@H]1C[C@H]1C(=O)Nc1ccc(F)cc1C(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000329385023 553936140 /nfs/dbraw/zinc/93/61/40/553936140.db2.gz PEMQTHPFMSLWTC-HQQPKKBNSA-N 1 2 361.417 2.225 20 30 FEEDLO CC(C)(CNC(=O)N1CCO[C@@H](C2CCCCC2)C1)[NH+]1CCOCC1 ZINC000329407056 553940358 /nfs/dbraw/zinc/94/03/58/553940358.db2.gz CYPKMAFTYOXPCF-QGZVFWFLSA-N 1 2 353.507 2.292 20 30 FEEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN([C@H]2CCN(c3ccccc3F)C2=O)CC1 ZINC000329418673 553943027 /nfs/dbraw/zinc/94/30/27/553943027.db2.gz GJQJVJBTMDIUAT-KDOFPFPSSA-N 1 2 374.460 2.056 20 30 FEEDLO O=C(NCC[NH+]1CCN(C(=O)C2CCC2)CC1)N1CCc2ccc(F)cc21 ZINC000329424047 553943820 /nfs/dbraw/zinc/94/38/20/553943820.db2.gz IKCZATRPCGMZMV-UHFFFAOYSA-N 1 2 374.460 2.047 20 30 FEEDLO CO[C@]1(C)CCCN(C(=O)N[C@@H](c2[nH+]ccn2C)C2CCOCC2)C1 ZINC000329493185 553957087 /nfs/dbraw/zinc/95/70/87/553957087.db2.gz UEPZCRSGTPFWII-CRAIPNDOSA-N 1 2 350.463 2.303 20 30 FEEDLO COc1c2cnn(C)c2ncc1C(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000329501612 553958324 /nfs/dbraw/zinc/95/83/24/553958324.db2.gz GIOQONBFAXGDDI-LBPRGKRZSA-N 1 2 354.414 2.364 20 30 FEEDLO COCc1cccc2sc(=NC(=O)NC[C@H]3C[N@H+](C)CCO3)[nH]c21 ZINC000329568324 553969026 /nfs/dbraw/zinc/96/90/26/553969026.db2.gz HZUXEIVIDBVHIB-LBPRGKRZSA-N 1 2 350.444 2.099 20 30 FEEDLO COCc1cccc2sc(=NC(=O)NC[C@H]3C[N@@H+](C)CCO3)[nH]c21 ZINC000329568324 553969029 /nfs/dbraw/zinc/96/90/29/553969029.db2.gz HZUXEIVIDBVHIB-LBPRGKRZSA-N 1 2 350.444 2.099 20 30 FEEDLO Cc1ccnc(OC2CCN(C([O-])=[NH+][C@@H]3CCc4[nH]c[nH+]c4C3)CC2)c1 ZINC000329608872 553976199 /nfs/dbraw/zinc/97/61/99/553976199.db2.gz NFJKLMHJMRGVOV-CQSZACIVSA-N 1 2 355.442 2.428 20 30 FEEDLO Cc1ccnc(OC2CCN(C([O-])=[NH+][C@@H]3CCc4[nH+]c[nH]c4C3)CC2)c1 ZINC000329608872 553976200 /nfs/dbraw/zinc/97/62/00/553976200.db2.gz NFJKLMHJMRGVOV-CQSZACIVSA-N 1 2 355.442 2.428 20 30 FEEDLO O=C(NCC[NH+]1CCN(C(=O)C2CCC2)CC1)c1ccnc(C2CC2)c1 ZINC000329657909 553983101 /nfs/dbraw/zinc/98/31/01/553983101.db2.gz NLHGXVMACMSQMO-UHFFFAOYSA-N 1 2 356.470 2.208 20 30 FEEDLO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)NC[C@@H]2CCCCS2)CC1 ZINC000329720245 553995011 /nfs/dbraw/zinc/99/50/11/553995011.db2.gz BPGKVHLEAZDRHF-INIZCTEOSA-N 1 2 365.547 2.354 20 30 FEEDLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)N[C@@H]1C[C@@H]1C1CCCCC1 ZINC000329786085 554005558 /nfs/dbraw/zinc/00/55/58/554005558.db2.gz XOXJCMJKHCDOIV-QZTJIDSGSA-N 1 2 372.517 2.071 20 30 FEEDLO Cc1nc(C)c(NC(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)s1 ZINC000329790078 554007014 /nfs/dbraw/zinc/00/70/14/554007014.db2.gz COOCKEUHFQHUSN-UHFFFAOYSA-N 1 2 365.503 2.030 20 30 FEEDLO Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)cc1 ZINC000329806365 554009323 /nfs/dbraw/zinc/00/93/23/554009323.db2.gz BASLAIBMPSOGRK-LWYYNNOASA-N 1 2 374.481 2.376 20 30 FEEDLO CC(C)C[C@H]1CCN(C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)C1 ZINC000329863244 554021014 /nfs/dbraw/zinc/02/10/14/554021014.db2.gz ZABLAZJFPOUDGD-MRXNPFEDSA-N 1 2 373.501 2.383 20 30 FEEDLO C[C@H](NC(=O)C[N@@H+]1CC(C)(C)[C@@H]1[C@H]1CCCO1)C(=O)N1CCCCC1 ZINC000329861060 554021025 /nfs/dbraw/zinc/02/10/25/554021025.db2.gz XRSAMYYUGHSYDO-UXLLHSPISA-N 1 2 351.491 2.233 20 30 FEEDLO C[C@H](NC(=O)C[N@H+]1CC(C)(C)[C@@H]1[C@H]1CCCO1)C(=O)N1CCCCC1 ZINC000329861060 554021028 /nfs/dbraw/zinc/02/10/28/554021028.db2.gz XRSAMYYUGHSYDO-UXLLHSPISA-N 1 2 351.491 2.233 20 30 FEEDLO [O-]C(NC[C@@H]1CCc2[nH+]ccn2C1)=[NH+][C@@H]1CCO[C@]2(CCSC2)C1 ZINC000329897347 554027095 /nfs/dbraw/zinc/02/70/95/554027095.db2.gz LHDVWUAYTMDBBY-JJRVBVJISA-N 1 2 350.488 2.004 20 30 FEEDLO [O-]C(N[C@@H]1CCO[C@]2(CCSC2)C1)=[NH+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000329897347 554027096 /nfs/dbraw/zinc/02/70/96/554027096.db2.gz LHDVWUAYTMDBBY-JJRVBVJISA-N 1 2 350.488 2.004 20 30 FEEDLO CCN1CCN(C(=O)N[C@H](C)Cc2c(C)noc2C)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329972957 554041830 /nfs/dbraw/zinc/04/18/30/554041830.db2.gz WMFODKHNQOQFQI-MLGOLLRUSA-N 1 2 360.462 2.238 20 30 FEEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)Nc3cccc(-c4noc(C5CC5)n4)c3)C[C@H]21 ZINC000329984216 554043899 /nfs/dbraw/zinc/04/38/99/554043899.db2.gz QEPVXIKVIHSBHT-HZPDHXFCSA-N 1 2 369.425 2.174 20 30 FEEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)Nc3cccc(-c4noc(C5CC5)n4)c3)C[C@H]21 ZINC000329984216 554043903 /nfs/dbraw/zinc/04/39/03/554043903.db2.gz QEPVXIKVIHSBHT-HZPDHXFCSA-N 1 2 369.425 2.174 20 30 FEEDLO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCCc1cn2c(n1)CCCC2 ZINC000329987581 554044620 /nfs/dbraw/zinc/04/46/20/554044620.db2.gz GIMARXVYKDTIOB-UHFFFAOYSA-N 1 2 367.457 2.303 20 30 FEEDLO O=C(NCc1ccc(N2CCCCC2)[nH+]c1)c1cn([C@@H]2CCOC2)nn1 ZINC000330118918 554067758 /nfs/dbraw/zinc/06/77/58/554067758.db2.gz ZFAOLWLOMYDBTP-OAHLLOKOSA-N 1 2 356.430 2.130 20 30 FEEDLO N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CCO[C@@H](COCC4CC4)C3)C2=O)cc1 ZINC000330129376 554070318 /nfs/dbraw/zinc/07/03/18/554070318.db2.gz JYELMRRAMDVPAN-WOJBJXKFSA-N 1 2 369.465 2.181 20 30 FEEDLO N#Cc1ccc(N2CCC[C@@H]([N@H+]3CCO[C@@H](COCC4CC4)C3)C2=O)cc1 ZINC000330129376 554070320 /nfs/dbraw/zinc/07/03/20/554070320.db2.gz JYELMRRAMDVPAN-WOJBJXKFSA-N 1 2 369.465 2.181 20 30 FEEDLO N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CCO[C@H](COCC4CC4)C3)C2=O)cc1 ZINC000330129375 554070366 /nfs/dbraw/zinc/07/03/66/554070366.db2.gz JYELMRRAMDVPAN-VQTJNVASSA-N 1 2 369.465 2.181 20 30 FEEDLO N#Cc1ccc(N2CCC[C@@H]([N@H+]3CCO[C@H](COCC4CC4)C3)C2=O)cc1 ZINC000330129375 554070369 /nfs/dbraw/zinc/07/03/69/554070369.db2.gz JYELMRRAMDVPAN-VQTJNVASSA-N 1 2 369.465 2.181 20 30 FEEDLO C[C@H](NC(=O)NC[C@H]1CCO[C@@H]1c1ccccc1)[C@H](C)[NH+]1CCOCC1 ZINC000330148075 554073910 /nfs/dbraw/zinc/07/39/10/554073910.db2.gz MCGWNCBBUGCWMB-RNIPGJKVSA-N 1 2 361.486 2.377 20 30 FEEDLO O=C(NCc1ccc(N2CCCC2)[nH+]c1)[C@H]1CC12CCS(=O)(=O)CC2 ZINC000330166848 554077352 /nfs/dbraw/zinc/07/73/52/554077352.db2.gz YJVCCOAFZIPTFF-OAHLLOKOSA-N 1 2 363.483 2.353 20 30 FEEDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)N1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000330276997 554097684 /nfs/dbraw/zinc/09/76/84/554097684.db2.gz NQZYKRZQAMAEFX-CABCVRRESA-N 1 2 369.473 2.267 20 30 FEEDLO [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1CCc2c(ncn2-c2ccccc2)C1 ZINC000330280959 554098186 /nfs/dbraw/zinc/09/81/86/554098186.db2.gz TYLFKQOSRMEMQB-OAHLLOKOSA-N 1 2 362.437 2.356 20 30 FEEDLO CC(C)(NC(=O)c1ccccc1)C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000330812216 554174800 /nfs/dbraw/zinc/17/48/00/554174800.db2.gz MAHVLHNJEXFHHY-UHFFFAOYSA-N 1 2 360.458 2.228 20 30 FEEDLO N#Cc1cccc(-c2nnc(C[N@H+]3CCC[C@](O)(C(F)(F)F)C3)o2)c1 ZINC000331281003 554240619 /nfs/dbraw/zinc/24/06/19/554240619.db2.gz URETZJUKALNGAR-OAHLLOKOSA-N 1 2 352.316 2.497 20 30 FEEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3CCC[C@](O)(C(F)(F)F)C3)o2)c1 ZINC000331281003 554240622 /nfs/dbraw/zinc/24/06/22/554240622.db2.gz URETZJUKALNGAR-OAHLLOKOSA-N 1 2 352.316 2.497 20 30 FEEDLO C[NH+](C)C1(C#N)CCN(C(=O)C(=O)N2CCC[C@@H]2C2CCCCC2)CC1 ZINC000331852942 554331283 /nfs/dbraw/zinc/33/12/83/554331283.db2.gz CQMBTYVOIDJQEY-QGZVFWFLSA-N 1 2 360.502 2.004 20 30 FEEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000331973849 554356030 /nfs/dbraw/zinc/35/60/30/554356030.db2.gz UUJYNCMJCJBPNF-VQTJNVASSA-N 1 2 368.481 2.367 20 30 FEEDLO Cc1c(C#N)cccc1C(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000510491739 561836562 /nfs/dbraw/zinc/83/65/62/561836562.db2.gz MTKLMJNFZMYOPR-AWEZNQCLSA-N 1 2 350.422 2.417 20 30 FEEDLO N#Cc1ccc(N2CCC[C@H]([N@H+]3CCOC[C@@H]3[C@H]3CCCC3=O)C2=O)cc1 ZINC000333382664 554607857 /nfs/dbraw/zinc/60/78/57/554607857.db2.gz FQZGNIWCUKNAIN-CEXWTWQISA-N 1 2 367.449 2.124 20 30 FEEDLO N#Cc1ccc(N2CCC[C@H]([N@@H+]3CCOC[C@@H]3[C@H]3CCCC3=O)C2=O)cc1 ZINC000333382664 554607858 /nfs/dbraw/zinc/60/78/58/554607858.db2.gz FQZGNIWCUKNAIN-CEXWTWQISA-N 1 2 367.449 2.124 20 30 FEEDLO CC1(C)CC[N@@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC[S@]1=O ZINC000333728218 554637260 /nfs/dbraw/zinc/63/72/60/554637260.db2.gz STLCRGPMLBWOLT-SSOJOUAXSA-N 1 2 359.495 2.287 20 30 FEEDLO CC1(C)CC[N@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC[S@]1=O ZINC000333728218 554637261 /nfs/dbraw/zinc/63/72/61/554637261.db2.gz STLCRGPMLBWOLT-SSOJOUAXSA-N 1 2 359.495 2.287 20 30 FEEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCCN(c2ncccn2)CC1 ZINC000360971863 554897807 /nfs/dbraw/zinc/89/78/07/554897807.db2.gz FWEAJZVUVJSSTR-UHFFFAOYSA-N 1 2 370.844 2.152 20 30 FEEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCCN(c2ncccn2)CC1 ZINC000360971863 554897808 /nfs/dbraw/zinc/89/78/08/554897808.db2.gz FWEAJZVUVJSSTR-UHFFFAOYSA-N 1 2 370.844 2.152 20 30 FEEDLO COCc1nccc([C@@H]2CCC[N@H+](CC(=O)Nc3ccc(C#N)cc3)C2)n1 ZINC000363020004 555011889 /nfs/dbraw/zinc/01/18/89/555011889.db2.gz BWBJQUVSPJJRJF-MRXNPFEDSA-N 1 2 365.437 2.313 20 30 FEEDLO COCc1nccc([C@@H]2CCC[N@@H+](CC(=O)Nc3ccc(C#N)cc3)C2)n1 ZINC000363020004 555011892 /nfs/dbraw/zinc/01/18/92/555011892.db2.gz BWBJQUVSPJJRJF-MRXNPFEDSA-N 1 2 365.437 2.313 20 30 FEEDLO CC(C)(C)OC(=O)CCC[N@@H+]1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000363653616 555156214 /nfs/dbraw/zinc/15/62/14/555156214.db2.gz WGLPCRJRXRTVIE-JLTOFOAXSA-N 1 2 355.438 2.454 20 30 FEEDLO CC(C)(C)OC(=O)CCC[N@H+]1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000363653616 555156218 /nfs/dbraw/zinc/15/62/18/555156218.db2.gz WGLPCRJRXRTVIE-JLTOFOAXSA-N 1 2 355.438 2.454 20 30 FEEDLO CC(C)(C)NC(=O)C[N@@H+]1CCCN(c2snc(Cl)c2C#N)CC1 ZINC000364291307 555285790 /nfs/dbraw/zinc/28/57/90/555285790.db2.gz PCFQNUNBZSQQNG-UHFFFAOYSA-N 1 2 355.895 2.095 20 30 FEEDLO CC(C)(C)NC(=O)C[N@H+]1CCCN(c2snc(Cl)c2C#N)CC1 ZINC000364291307 555285792 /nfs/dbraw/zinc/28/57/92/555285792.db2.gz PCFQNUNBZSQQNG-UHFFFAOYSA-N 1 2 355.895 2.095 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)N2CC[NH+]([C@@H]3CCSC3)CC2)cc1Cl ZINC000364758137 555395407 /nfs/dbraw/zinc/39/54/07/555395407.db2.gz RGGSHAKHQAGHEZ-CYBMUJFWSA-N 1 2 371.915 2.023 20 30 FEEDLO N#Cc1ccc(N2CCC[C@@H]([N@H+]3CCc4ccccc4[C@@H]3C(N)=O)C2=O)cc1 ZINC000365101094 555485194 /nfs/dbraw/zinc/48/51/94/555485194.db2.gz QQYOLHOSQIMUMC-WOJBJXKFSA-N 1 2 374.444 2.138 20 30 FEEDLO N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CCc4ccccc4[C@@H]3C(N)=O)C2=O)cc1 ZINC000365101094 555485197 /nfs/dbraw/zinc/48/51/97/555485197.db2.gz QQYOLHOSQIMUMC-WOJBJXKFSA-N 1 2 374.444 2.138 20 30 FEEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[S@](=O)C[C@@H](C)C1 ZINC000365440698 555576697 /nfs/dbraw/zinc/57/66/97/555576697.db2.gz DIAFMSIADVQZBK-UHFGSOAKSA-N 1 2 353.532 2.006 20 30 FEEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[S@](=O)C[C@@H](C)C1 ZINC000365440698 555576699 /nfs/dbraw/zinc/57/66/99/555576699.db2.gz DIAFMSIADVQZBK-UHFGSOAKSA-N 1 2 353.532 2.006 20 30 FEEDLO Cc1cc(=NC(=O)[C@@H]2CCCN(c3ccc(C)c[nH+]3)C2)[nH]n1CCC#N ZINC000366050675 555736752 /nfs/dbraw/zinc/73/67/52/555736752.db2.gz FKYPBDDGAOMCCR-MRXNPFEDSA-N 1 2 352.442 2.664 20 30 FEEDLO Cc1cc(=NC(=O)[C@H]2CCCN(c3ccc(C)c[nH+]3)C2)[nH]n1CCC#N ZINC000366050674 555736773 /nfs/dbraw/zinc/73/67/73/555736773.db2.gz FKYPBDDGAOMCCR-INIZCTEOSA-N 1 2 352.442 2.664 20 30 FEEDLO N#C[C@H]1N(C(=O)c2ccnc(-n3cc[nH+]c3)c2)CCC[C@]12CCCCO2 ZINC000366186509 555775218 /nfs/dbraw/zinc/77/52/18/555775218.db2.gz OLBFQOXLNMNJFF-VQIMIIECSA-N 1 2 351.410 2.335 20 30 FEEDLO N#Cc1ncn(C2CC[NH+](Cc3ccn(-c4c(F)cccc4F)n3)CC2)n1 ZINC000366381124 555828034 /nfs/dbraw/zinc/82/80/34/555828034.db2.gz SONQXYPAYNUWDT-UHFFFAOYSA-N 1 2 369.379 2.451 20 30 FEEDLO N#Cc1ccc(NCC(=O)N2CC[NH2+][C@@H](c3ccccc3Cl)C2)nc1 ZINC000619777613 555832701 /nfs/dbraw/zinc/83/27/01/555832701.db2.gz OIOXJRLDOMVOKG-MRXNPFEDSA-N 1 2 355.829 2.192 20 30 FEEDLO O=C(NCC#Cc1cccc(F)c1)c1ccccc1C[NH+]1CCOCC1 ZINC000513915270 561954187 /nfs/dbraw/zinc/95/41/87/561954187.db2.gz PXZQCVYBGJPPIF-UHFFFAOYSA-N 1 2 352.409 2.439 20 30 FEEDLO CC(C)(C#N)c1ccc(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)cc1 ZINC000366819439 555943205 /nfs/dbraw/zinc/94/32/05/555943205.db2.gz AKDOJLDJZYQGJT-FQEVSTJZSA-N 1 2 373.522 2.425 20 30 FEEDLO Cc1cn2c([nH+]1)CN(C(=O)[C@H]1CCN(c3ccc(C#N)cc3F)C1)CC2 ZINC000367428979 556046107 /nfs/dbraw/zinc/04/61/07/556046107.db2.gz DFBVCQIIOSOFHM-HNNXBMFYSA-N 1 2 353.401 2.071 20 30 FEEDLO Cc1ccc(C#N)cc1NC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C ZINC000514791066 561979920 /nfs/dbraw/zinc/97/99/20/561979920.db2.gz CMJSBSRLLPTQHJ-QGZVFWFLSA-N 1 2 353.426 2.302 20 30 FEEDLO Cc1ccc(C#N)cc1NC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C ZINC000514791066 561979921 /nfs/dbraw/zinc/97/99/21/561979921.db2.gz CMJSBSRLLPTQHJ-QGZVFWFLSA-N 1 2 353.426 2.302 20 30 FEEDLO Cc1cc(C[NH+]2CCC(N(C)S(=O)(=O)c3ccc(C#N)cc3)CC2)on1 ZINC000368962251 556460449 /nfs/dbraw/zinc/46/04/49/556460449.db2.gz VUXPMUYJWNEVQM-UHFFFAOYSA-N 1 2 374.466 2.140 20 30 FEEDLO CN(C(=O)C[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1)C1(C#N)CCCCC1 ZINC000369012588 556475685 /nfs/dbraw/zinc/47/56/85/556475685.db2.gz WEPSKXUSDUOKBX-OAHLLOKOSA-N 1 2 374.445 2.113 20 30 FEEDLO CN(C(=O)C[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1)C1(C#N)CCCCC1 ZINC000369012588 556475688 /nfs/dbraw/zinc/47/56/88/556475688.db2.gz WEPSKXUSDUOKBX-OAHLLOKOSA-N 1 2 374.445 2.113 20 30 FEEDLO Cc1sc(NC(=O)C[N@@H+]2CCCC[C@@H]2Cn2ccnn2)c(C#N)c1C ZINC000369281268 556563212 /nfs/dbraw/zinc/56/32/12/556563212.db2.gz VOBIJVHNMUVHOX-CQSZACIVSA-N 1 2 358.471 2.321 20 30 FEEDLO Cc1sc(NC(=O)C[N@H+]2CCCC[C@@H]2Cn2ccnn2)c(C#N)c1C ZINC000369281268 556563214 /nfs/dbraw/zinc/56/32/14/556563214.db2.gz VOBIJVHNMUVHOX-CQSZACIVSA-N 1 2 358.471 2.321 20 30 FEEDLO N#Cc1ccc(C[C@H](C#N)C(=O)N[C@@H]2CCCN(c3cccc[nH+]3)C2)cc1 ZINC000369406169 556593401 /nfs/dbraw/zinc/59/34/01/556593401.db2.gz IKFBZXTWVIMVHQ-RTBURBONSA-N 1 2 359.433 2.421 20 30 FEEDLO Cc1[nH+]c2ccc(C(=O)N3CC[C@@H](Oc4ccc(C#N)cn4)C3)cc2n1C ZINC000370665048 556934782 /nfs/dbraw/zinc/93/47/82/556934782.db2.gz MRIBFFZAHJUICN-MRXNPFEDSA-N 1 2 361.405 2.442 20 30 FEEDLO CN1CC[NH+]([C@H](CNC(=O)N[C@@H]2CC[C@H](C#N)C2)c2cccs2)CC1 ZINC000516967475 562068001 /nfs/dbraw/zinc/06/80/01/562068001.db2.gz ZQFSQWVJDOMNIR-ARFHVFGLSA-N 1 2 361.515 2.028 20 30 FEEDLO Cc1cc(C)c(C#N)c(N2CC[NH+](CC(=O)N[C@@H]3CCC[C@@H](C)C3)CC2)n1 ZINC000518201733 562106346 /nfs/dbraw/zinc/10/63/46/562106346.db2.gz CWJPVSHBLROGSP-CRAIPNDOSA-N 1 2 369.513 2.387 20 30 FEEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372273401 557427449 /nfs/dbraw/zinc/42/74/49/557427449.db2.gz MFBOWXHYXJVYGV-CZUORRHYSA-N 1 2 368.397 2.327 20 30 FEEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372273401 557427454 /nfs/dbraw/zinc/42/74/54/557427454.db2.gz MFBOWXHYXJVYGV-CZUORRHYSA-N 1 2 368.397 2.327 20 30 FEEDLO C=CCCOCCNC(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(OC)c1 ZINC000372298499 557432991 /nfs/dbraw/zinc/43/29/91/557432991.db2.gz OYLGQHFGCXJNID-QGZVFWFLSA-N 1 2 358.442 2.410 20 30 FEEDLO C=C(C)COc1cccc(NC(=O)c2cnn(CC[NH+]3CCOCC3)c2)c1 ZINC000372680495 557535564 /nfs/dbraw/zinc/53/55/64/557535564.db2.gz MFVRAQIPTWTMGH-UHFFFAOYSA-N 1 2 370.453 2.423 20 30 FEEDLO CC(C)OCC[NH+]1CCN(C(=O)[C@@]2(C#N)CCc3ccccc3C2)CC1 ZINC000373186608 557646220 /nfs/dbraw/zinc/64/62/20/557646220.db2.gz PYEJCFHPECOUOQ-NRFANRHFSA-N 1 2 355.482 2.254 20 30 FEEDLO C[C@@H]1C[N@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@]2(CCCOC2)O1 ZINC000373811434 557764482 /nfs/dbraw/zinc/76/44/82/557764482.db2.gz MCZZYISQJAZFCU-FZKQIMNGSA-N 1 2 363.845 2.420 20 30 FEEDLO C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@]2(CCCOC2)O1 ZINC000373811434 557764484 /nfs/dbraw/zinc/76/44/84/557764484.db2.gz MCZZYISQJAZFCU-FZKQIMNGSA-N 1 2 363.845 2.420 20 30 FEEDLO Cn1cc(-c2ncc(CN3CC[NH+](Cc4ccc(C#N)cc4)CC3)cn2)cn1 ZINC000373828217 557767979 /nfs/dbraw/zinc/76/79/79/557767979.db2.gz FFWXSWAWUDZJKQ-UHFFFAOYSA-N 1 2 373.464 2.067 20 30 FEEDLO Cn1cc(-c2ncc(C[NH+]3CCN(Cc4ccc(C#N)cc4)CC3)cn2)cn1 ZINC000373828217 557767980 /nfs/dbraw/zinc/76/79/80/557767980.db2.gz FFWXSWAWUDZJKQ-UHFFFAOYSA-N 1 2 373.464 2.067 20 30 FEEDLO N#CC1(c2ccccn2)CCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000374314512 557863799 /nfs/dbraw/zinc/86/37/99/557863799.db2.gz SMNZSOCGLLWQLR-SFHVURJKSA-N 1 2 368.481 2.109 20 30 FEEDLO N#CC1(c2ccccn2)CCN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000374314512 557863801 /nfs/dbraw/zinc/86/38/01/557863801.db2.gz SMNZSOCGLLWQLR-SFHVURJKSA-N 1 2 368.481 2.109 20 30 FEEDLO COC(=O)c1ccc(C[N@@H+]2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)s1 ZINC000374362869 557872201 /nfs/dbraw/zinc/87/22/01/557872201.db2.gz AOOLGFYPVCJJAH-BLVKFPJESA-N 1 2 367.430 2.380 20 30 FEEDLO COC(=O)c1ccc(C[N@H+]2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)s1 ZINC000374362869 557872202 /nfs/dbraw/zinc/87/22/02/557872202.db2.gz AOOLGFYPVCJJAH-BLVKFPJESA-N 1 2 367.430 2.380 20 30 FEEDLO C#CCOCCC(=O)N[C@H]1CC[N@@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000374657075 557912955 /nfs/dbraw/zinc/91/29/55/557912955.db2.gz CSWNLYSQIIQNDN-MAUKXSAKSA-N 1 2 354.372 2.395 20 30 FEEDLO C#CCOCCC(=O)N[C@H]1CC[N@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000374657075 557912957 /nfs/dbraw/zinc/91/29/57/557912957.db2.gz CSWNLYSQIIQNDN-MAUKXSAKSA-N 1 2 354.372 2.395 20 30 FEEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1CCn2cc(C)[nH+]c2C1 ZINC000374710525 557919897 /nfs/dbraw/zinc/91/98/97/557919897.db2.gz OBKZYCVVDKFWSC-MRXNPFEDSA-N 1 2 367.453 2.351 20 30 FEEDLO C=CCc1ccc(OCC(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)c(OC)c1 ZINC000521491056 562177621 /nfs/dbraw/zinc/17/76/21/562177621.db2.gz INVBHDNRZGMGOG-HOTGVXAUSA-N 1 2 362.470 2.028 20 30 FEEDLO C#CCCCCNC(=O)N1CCN(Cc2c(C)[nH+]c3n2CCCC3)CC1 ZINC000375327632 558009525 /nfs/dbraw/zinc/00/95/25/558009525.db2.gz KEYXNJGCRYWWIG-UHFFFAOYSA-N 1 2 357.502 2.159 20 30 FEEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CC[C@H](c3nc(C4CC4)no3)C2)c1 ZINC000375466544 558032245 /nfs/dbraw/zinc/03/22/45/558032245.db2.gz VDNNYMGHIQTQLI-HNNXBMFYSA-N 1 2 372.450 2.082 20 30 FEEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CC[C@H](c3nc(C4CC4)no3)C2)c1 ZINC000375466544 558032246 /nfs/dbraw/zinc/03/22/46/558032246.db2.gz VDNNYMGHIQTQLI-HNNXBMFYSA-N 1 2 372.450 2.082 20 30 FEEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCC[C@@]2(CNC(=O)O2)C1 ZINC000375572770 558050993 /nfs/dbraw/zinc/05/09/93/558050993.db2.gz SSCRJFIPUNXEPZ-IFXJQAMLSA-N 1 2 374.416 2.035 20 30 FEEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCC[C@@]2(CNC(=O)O2)C1 ZINC000375572770 558050995 /nfs/dbraw/zinc/05/09/95/558050995.db2.gz SSCRJFIPUNXEPZ-IFXJQAMLSA-N 1 2 374.416 2.035 20 30 FEEDLO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CC[S@@](=O)CC[C@H]2C)c(OC)c1 ZINC000375945336 558103812 /nfs/dbraw/zinc/10/38/12/558103812.db2.gz DUYKPWCTHSMHCJ-HMFAJSFMSA-N 1 2 367.511 2.006 20 30 FEEDLO C=CCc1ccc(OC[C@H](O)C[N@H+]2CC[S@@](=O)CC[C@H]2C)c(OC)c1 ZINC000375945336 558103814 /nfs/dbraw/zinc/10/38/14/558103814.db2.gz DUYKPWCTHSMHCJ-HMFAJSFMSA-N 1 2 367.511 2.006 20 30 FEEDLO C=CCCO[C@H](C)C(=O)N1CCC[C@@H]([N@H+](C)Cc2noc(C)n2)CC1 ZINC000376244571 558146881 /nfs/dbraw/zinc/14/68/81/558146881.db2.gz LFNGWHPKPSNLLM-GDBMZVCRSA-N 1 2 350.463 2.172 20 30 FEEDLO C=CCCO[C@H](C)C(=O)N1CCC[C@@H]([N@@H+](C)Cc2noc(C)n2)CC1 ZINC000376244571 558146883 /nfs/dbraw/zinc/14/68/83/558146883.db2.gz LFNGWHPKPSNLLM-GDBMZVCRSA-N 1 2 350.463 2.172 20 30 FEEDLO C=CC[C@@H](C)NC(=O)N1CC[C@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000376312506 558156521 /nfs/dbraw/zinc/15/65/21/558156521.db2.gz ZXCSUGLJJJUDOS-CVEARBPZSA-N 1 2 366.506 2.288 20 30 FEEDLO C#CCCS(=O)(=O)N[C@@H]1CC[N@@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000377296815 558309141 /nfs/dbraw/zinc/30/91/41/558309141.db2.gz OWAWHESBVVVIES-ZBFHGGJFSA-N 1 2 360.401 2.182 20 30 FEEDLO C#CCCS(=O)(=O)N[C@@H]1CC[N@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000377296815 558309143 /nfs/dbraw/zinc/30/91/43/558309143.db2.gz OWAWHESBVVVIES-ZBFHGGJFSA-N 1 2 360.401 2.182 20 30 FEEDLO N#Cc1ccc(CSCC(=O)Nc2c[nH+]ccc2-n2ccnn2)cc1 ZINC000377437089 558340485 /nfs/dbraw/zinc/34/04/85/558340485.db2.gz AGIHKUMKXCHISW-UHFFFAOYSA-N 1 2 350.407 2.406 20 30 FEEDLO N#CCCSc1ccccc1NC(=O)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000377956856 558451829 /nfs/dbraw/zinc/45/18/29/558451829.db2.gz CKKFQHZCHMGJCC-GFCCVEGCSA-N 1 2 369.450 2.028 20 30 FEEDLO N#CCCSc1ccccc1NC(=O)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000377956856 558451830 /nfs/dbraw/zinc/45/18/30/558451830.db2.gz CKKFQHZCHMGJCC-GFCCVEGCSA-N 1 2 369.450 2.028 20 30 FEEDLO C[C@@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000408084467 558644922 /nfs/dbraw/zinc/64/49/22/558644922.db2.gz QFFIJXQAAYPZJU-WDEREUQCSA-N 1 2 361.389 2.290 20 30 FEEDLO C[C@@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000408084467 558644926 /nfs/dbraw/zinc/64/49/26/558644926.db2.gz QFFIJXQAAYPZJU-WDEREUQCSA-N 1 2 361.389 2.290 20 30 FEEDLO CC[C@@H](C)NC(=O)C[NH+]1CCN(c2ccc(C(F)(F)F)c(C#N)n2)CC1 ZINC000410315367 558751374 /nfs/dbraw/zinc/75/13/74/558751374.db2.gz AAOUXMXNXAZZQT-GFCCVEGCSA-N 1 2 369.391 2.009 20 30 FEEDLO C=CC[C@H]1N(C(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)CCCC1(C)C ZINC000411004820 558831025 /nfs/dbraw/zinc/83/10/25/558831025.db2.gz SFSIWHSTURJJSR-QGZVFWFLSA-N 1 2 370.497 2.324 20 30 FEEDLO N#Cc1cccnc1N1CC[NH+]([C@H]2CCN(c3ccc(F)cc3)C2=O)CC1 ZINC000411133832 558842843 /nfs/dbraw/zinc/84/28/43/558842843.db2.gz IDJHTDFLFHXAKM-SFHVURJKSA-N 1 2 365.412 2.020 20 30 FEEDLO C[C@@H]([NH2+][C@@H](c1cnn(C)c1)c1ccc(F)cc1)C(=O)NC1(C#N)CCC1 ZINC000526057695 562265430 /nfs/dbraw/zinc/26/54/30/562265430.db2.gz CRNPIHUWNKSQTQ-CXAGYDPISA-N 1 2 355.417 2.189 20 30 FEEDLO C[N@H+](CCC#N)C[C@H](O)Cn1c2ccccc2nc1NCc1ccccc1 ZINC000414111439 559149610 /nfs/dbraw/zinc/14/96/10/559149610.db2.gz XCURTYKUEKARBV-SFHVURJKSA-N 1 2 363.465 2.855 20 30 FEEDLO C[N@@H+](CCC#N)C[C@H](O)Cn1c2ccccc2nc1NCc1ccccc1 ZINC000414111439 559149611 /nfs/dbraw/zinc/14/96/11/559149611.db2.gz XCURTYKUEKARBV-SFHVURJKSA-N 1 2 363.465 2.855 20 30 FEEDLO COC(=O)Cc1cccc2c(OC[C@H](O)C[N@H+](C)CCC#N)cccc12 ZINC000414152744 559151050 /nfs/dbraw/zinc/15/10/50/559151050.db2.gz XWLKVXJKNMEITA-MRXNPFEDSA-N 1 2 356.422 2.140 20 30 FEEDLO COC(=O)Cc1cccc2c(OC[C@H](O)C[N@@H+](C)CCC#N)cccc12 ZINC000414152744 559151052 /nfs/dbraw/zinc/15/10/52/559151052.db2.gz XWLKVXJKNMEITA-MRXNPFEDSA-N 1 2 356.422 2.140 20 30 FEEDLO CCN1CCN(CC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H]1c1[nH]cc[nH+]1 ZINC000527068512 562275398 /nfs/dbraw/zinc/27/53/98/562275398.db2.gz RMKWBKAAQNDFFC-INIZCTEOSA-N 1 2 372.860 2.252 20 30 FEEDLO CC[N@@H+]1CC[C@H](NS(=O)(=O)[C@H](C)C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000416447165 559313522 /nfs/dbraw/zinc/31/35/22/559313522.db2.gz BMUDMNUOIZCTJF-WKPIXPDZSA-N 1 2 359.854 2.446 20 30 FEEDLO CC[N@H+]1CC[C@H](NS(=O)(=O)[C@H](C)C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000416447165 559313523 /nfs/dbraw/zinc/31/35/23/559313523.db2.gz BMUDMNUOIZCTJF-WKPIXPDZSA-N 1 2 359.854 2.446 20 30 FEEDLO C[C@@H]1CN(S(=O)(=O)c2cc(Br)ccc2C#N)C[C@H](C)[N@H+]1C ZINC000416489533 559316980 /nfs/dbraw/zinc/31/69/80/559316980.db2.gz QRHFTXFXXUWYOO-PHIMTYICSA-N 1 2 372.288 2.034 20 30 FEEDLO C[C@@H]1CN(S(=O)(=O)c2cc(Br)ccc2C#N)C[C@H](C)[N@@H+]1C ZINC000416489533 559316981 /nfs/dbraw/zinc/31/69/81/559316981.db2.gz QRHFTXFXXUWYOO-PHIMTYICSA-N 1 2 372.288 2.034 20 30 FEEDLO C[C@H]1CN(c2ccc(CNC(=O)NCC3(C#N)CCC3)c[nH+]2)C[C@H](C)O1 ZINC000419418369 559441299 /nfs/dbraw/zinc/44/12/99/559441299.db2.gz YFMKIESFTFCMLR-GJZGRUSLSA-N 1 2 357.458 2.188 20 30 FEEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000422527672 559593064 /nfs/dbraw/zinc/59/30/64/559593064.db2.gz MEBDOOPRUQPCQG-MSOLQXFVSA-N 1 2 366.465 2.040 20 30 FEEDLO C=CCCn1cc(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)nn1 ZINC000424750878 559675596 /nfs/dbraw/zinc/67/55/96/559675596.db2.gz TYVRPQFAZSJGIC-RDJZCZTQSA-N 1 2 361.396 2.308 20 30 FEEDLO C=CCCn1cc(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)nn1 ZINC000424750878 559675597 /nfs/dbraw/zinc/67/55/97/559675597.db2.gz TYVRPQFAZSJGIC-RDJZCZTQSA-N 1 2 361.396 2.308 20 30 FEEDLO Cc1cc(N2CCC(NS(=O)(=O)c3cccs3)CC2)c(C#N)c[nH+]1 ZINC000425209677 559691415 /nfs/dbraw/zinc/69/14/15/559691415.db2.gz PSVDTZRFLVLWFS-UHFFFAOYSA-N 1 2 362.480 2.271 20 30 FEEDLO C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000425383026 559699057 /nfs/dbraw/zinc/69/90/57/559699057.db2.gz JNIAOMBQMNYXRM-PBHICJAKSA-N 1 2 365.437 2.207 20 30 FEEDLO N#CCNC(=O)C[NH2+][C@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl ZINC000425962214 559726120 /nfs/dbraw/zinc/72/61/20/559726120.db2.gz WZNBHMGJZHYYKE-LJQANCHMSA-N 1 2 371.824 2.430 20 30 FEEDLO CC(C)(C)[C@H](C#N)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000427485514 559756489 /nfs/dbraw/zinc/75/64/89/559756489.db2.gz DIZGZLMMAHAPSI-HOTGVXAUSA-N 1 2 359.474 2.072 20 30 FEEDLO CC(C)(C)[C@H](C#N)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000427485514 559756490 /nfs/dbraw/zinc/75/64/90/559756490.db2.gz DIZGZLMMAHAPSI-HOTGVXAUSA-N 1 2 359.474 2.072 20 30 FEEDLO N#Cc1cnc(C(=O)NCc2ccccc2C[NH+]2CCOCC2)c(Cl)c1 ZINC000427941298 559765793 /nfs/dbraw/zinc/76/57/93/559765793.db2.gz ZLSJWVBKTYPDCO-UHFFFAOYSA-N 1 2 370.840 2.369 20 30 FEEDLO Cc1ccoc1C[N@H+](C)CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000429389466 559797551 /nfs/dbraw/zinc/79/75/51/559797551.db2.gz QIRGOSIBWADLOV-MRXNPFEDSA-N 1 2 372.494 2.490 20 30 FEEDLO Cc1ccoc1C[N@@H+](C)CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000429389466 559797552 /nfs/dbraw/zinc/79/75/52/559797552.db2.gz QIRGOSIBWADLOV-MRXNPFEDSA-N 1 2 372.494 2.490 20 30 FEEDLO CCN(C[C@H](C)C#N)S(=O)(=O)N(C)[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000432279280 559855397 /nfs/dbraw/zinc/85/53/97/559855397.db2.gz CQYBMBUHXVIWDE-ZBFHGGJFSA-N 1 2 361.471 2.157 20 30 FEEDLO C[C@H]([NH2+]CC(=O)NCc1ccc(C#N)cc1)c1ncc(Br)cn1 ZINC000432982604 559869369 /nfs/dbraw/zinc/86/93/69/559869369.db2.gz HDRWEKRABUZJIQ-NSHDSACASA-N 1 2 374.242 2.078 20 30 FEEDLO N#Cc1ccc(Cl)c(NC(=O)C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000435241241 559918539 /nfs/dbraw/zinc/91/85/39/559918539.db2.gz SRUXGDKGXDXOLV-CQSZACIVSA-N 1 2 370.796 2.225 20 30 FEEDLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(Cc2ccc(C#N)cc2Cl)CC1 ZINC000439435110 559993929 /nfs/dbraw/zinc/99/39/29/559993929.db2.gz DAUNZSYMLMYPMH-HNNXBMFYSA-N 1 2 360.889 2.340 20 30 FEEDLO CC(C)(C)OC(=O)C[NH2+][C@]1(C)CCN(c2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000440636704 560015213 /nfs/dbraw/zinc/01/52/13/560015213.db2.gz GIRCFXBTRGETHI-GOSISDBHSA-N 1 2 360.414 2.367 20 30 FEEDLO CCc1nnc(N2CC[C@](C)([NH2+]CC(=O)OC(C)(C)C)C2)c(C#N)c1CC ZINC000440638254 560015273 /nfs/dbraw/zinc/01/52/73/560015273.db2.gz PVGSEUIYMZGBAL-FQEVSTJZSA-N 1 2 373.501 2.373 20 30 FEEDLO C=CCN1CC[C@H](N2CC[N@@H+](Cc3ccccc3OCC)C[C@H]2C)C1=O ZINC000441382320 560030485 /nfs/dbraw/zinc/03/04/85/560030485.db2.gz TYUNCLUKLNQBIW-MJGOQNOKSA-N 1 2 357.498 2.378 20 30 FEEDLO C=CCN1CC[C@H](N2CC[N@H+](Cc3ccccc3OCC)C[C@H]2C)C1=O ZINC000441382320 560030487 /nfs/dbraw/zinc/03/04/87/560030487.db2.gz TYUNCLUKLNQBIW-MJGOQNOKSA-N 1 2 357.498 2.378 20 30 FEEDLO C=CCN1CC[C@H]([N@H+]2CCN(Cc3ccccc3OCC)C[C@H]2C)C1=O ZINC000441382320 560030489 /nfs/dbraw/zinc/03/04/89/560030489.db2.gz TYUNCLUKLNQBIW-MJGOQNOKSA-N 1 2 357.498 2.378 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+]2CCN(Cc3ccccc3OCC)C[C@H]2C)C1=O ZINC000441382320 560030491 /nfs/dbraw/zinc/03/04/91/560030491.db2.gz TYUNCLUKLNQBIW-MJGOQNOKSA-N 1 2 357.498 2.378 20 30 FEEDLO CC[C@H](NC(=O)[C@@H]1CCCN(c2nc(C)ccc2C#N)C1)c1[nH]cc[nH+]1 ZINC000443119037 560071535 /nfs/dbraw/zinc/07/15/35/560071535.db2.gz RAHPJCFZLIGCMO-CVEARBPZSA-N 1 2 352.442 2.469 20 30 FEEDLO CC(C)OCCS(=O)(=O)N1CC[NH+](CCCCC(C)(C)C#N)CC1 ZINC000444653282 560117658 /nfs/dbraw/zinc/11/76/58/560117658.db2.gz ZFYCBFTUZVQOIX-UHFFFAOYSA-N 1 2 359.536 2.079 20 30 FEEDLO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(c2cccc(C#N)c2[N+](=O)[O-])CC1 ZINC000450315341 560258344 /nfs/dbraw/zinc/25/83/44/560258344.db2.gz PCISPMNYWZGHGC-AWEZNQCLSA-N 1 2 371.441 2.036 20 30 FEEDLO COc1ccc([C@@H](NS(=O)(=O)CC2(CC#N)CC2)c2[nH+]ccn2C)cc1 ZINC000451018055 560282650 /nfs/dbraw/zinc/28/26/50/560282650.db2.gz WZQKYGSMSGCWAL-MRXNPFEDSA-N 1 2 374.466 2.131 20 30 FEEDLO CCS(=O)(=O)c1ccc(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000451055732 560284992 /nfs/dbraw/zinc/28/49/92/560284992.db2.gz MLWGYCVVZITNBE-QGZVFWFLSA-N 1 2 371.462 2.400 20 30 FEEDLO CCS(=O)(=O)c1ccc(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000451055732 560284993 /nfs/dbraw/zinc/28/49/93/560284993.db2.gz MLWGYCVVZITNBE-QGZVFWFLSA-N 1 2 371.462 2.400 20 30 FEEDLO N#CC1(NC(=O)C[N@@H+]2C[C@H](c3ccccc3)[C@](F)(CO)C2)CCCCC1 ZINC000451259010 560296621 /nfs/dbraw/zinc/29/66/21/560296621.db2.gz HIUCVVYNACKOMQ-YLJYHZDGSA-N 1 2 359.445 2.129 20 30 FEEDLO N#CC1(NC(=O)C[N@H+]2C[C@H](c3ccccc3)[C@](F)(CO)C2)CCCCC1 ZINC000451259010 560296622 /nfs/dbraw/zinc/29/66/22/560296622.db2.gz HIUCVVYNACKOMQ-YLJYHZDGSA-N 1 2 359.445 2.129 20 30 FEEDLO C[C@H]1CN(CC(F)(F)F)CC[N@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000451873042 560333544 /nfs/dbraw/zinc/33/35/44/560333544.db2.gz NUUNATRRVZCMHG-CYBMUJFWSA-N 1 2 354.376 2.313 20 30 FEEDLO C[C@H]1CN(CC(F)(F)F)CC[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000451873042 560333545 /nfs/dbraw/zinc/33/35/45/560333545.db2.gz NUUNATRRVZCMHG-CYBMUJFWSA-N 1 2 354.376 2.313 20 30 FEEDLO COC(=O)[C@H]1C[N@H+](CC(=O)Nc2sccc2C#N)C[C@@H]1c1ccccc1 ZINC000452006330 560345024 /nfs/dbraw/zinc/34/50/24/560345024.db2.gz NXKIINQTGYKFLL-CVEARBPZSA-N 1 2 369.446 2.447 20 30 FEEDLO COC(=O)[C@H]1C[N@@H+](CC(=O)Nc2sccc2C#N)C[C@@H]1c1ccccc1 ZINC000452006330 560345025 /nfs/dbraw/zinc/34/50/25/560345025.db2.gz NXKIINQTGYKFLL-CVEARBPZSA-N 1 2 369.446 2.447 20 30 FEEDLO Cc1cc(C#N)cc(NC(=O)C(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000453573370 560389180 /nfs/dbraw/zinc/38/91/80/560389180.db2.gz JSRDWXASCWHZTJ-UHFFFAOYSA-N 1 2 362.433 2.150 20 30 FEEDLO CC[C@H](C)[C@@H](CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)OC ZINC000455216933 560474331 /nfs/dbraw/zinc/47/43/31/560474331.db2.gz NUBAPKJVRGDSQK-QFBILLFUSA-N 1 2 358.486 2.447 20 30 FEEDLO C[NH+](C)CCS(=O)(=O)c1ccccc1C(=O)Nc1cccc(CC#N)c1 ZINC000456748603 560531757 /nfs/dbraw/zinc/53/17/57/560531757.db2.gz KEQCSLJSGZPWHU-UHFFFAOYSA-N 1 2 371.462 2.340 20 30 FEEDLO C=CCC[C@H](CO)NC(=O)NC[C@H](c1cccs1)[N@H+]1CCO[C@H](C)C1 ZINC000458517047 560628963 /nfs/dbraw/zinc/62/89/63/560628963.db2.gz QKUVUYMIAJFABV-BZUAXINKSA-N 1 2 367.515 2.136 20 30 FEEDLO C=CCC[C@H](CO)NC(=O)NC[C@H](c1cccs1)[N@@H+]1CCO[C@H](C)C1 ZINC000458517047 560628964 /nfs/dbraw/zinc/62/89/64/560628964.db2.gz QKUVUYMIAJFABV-BZUAXINKSA-N 1 2 367.515 2.136 20 30 FEEDLO CSc1ccccc1NC(=O)CN(C)C(=O)C[NH2+][C@H]1CCC[C@H]1C#N ZINC000459444775 560686959 /nfs/dbraw/zinc/68/69/59/560686959.db2.gz ARTQCPGHZLFFRH-KBPBESRZSA-N 1 2 360.483 2.087 20 30 FEEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C)[C@]1(CO)CCOC1 ZINC000461389521 560769384 /nfs/dbraw/zinc/76/93/84/560769384.db2.gz VFUSNHPEZXJDLU-KSSFIOAISA-N 1 2 363.483 2.103 20 30 FEEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C)[C@]1(CO)CCOC1 ZINC000461389521 560769385 /nfs/dbraw/zinc/76/93/85/560769385.db2.gz VFUSNHPEZXJDLU-KSSFIOAISA-N 1 2 363.483 2.103 20 30 FEEDLO COc1ccc(OC)c(C[NH+]2CCN(C(=O)N[C@H]3CCC[C@@H]3C#N)CC2)c1 ZINC000461956422 560789739 /nfs/dbraw/zinc/78/97/39/560789739.db2.gz NNMWORRBLLPWRR-QAPCUYQASA-N 1 2 372.469 2.223 20 30 FEEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+](C)[C@@H](C)C[S@](C)=O)cc1 ZINC000467193548 560906188 /nfs/dbraw/zinc/90/61/88/560906188.db2.gz CCZQJUFHUDNMEH-MQNRADLISA-N 1 2 365.499 2.031 20 30 FEEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+](C)[C@@H](C)C[S@](C)=O)cc1 ZINC000467193548 560906189 /nfs/dbraw/zinc/90/61/89/560906189.db2.gz CCZQJUFHUDNMEH-MQNRADLISA-N 1 2 365.499 2.031 20 30 FEEDLO CCOC(=O)c1sc([C@@H](C)[NH2+][C@H](C)C(=O)NC2(C#N)CCC2)nc1C ZINC000468773824 560938457 /nfs/dbraw/zinc/93/84/57/560938457.db2.gz AUZBCMUNIQXZFO-VXGBXAGGSA-N 1 2 364.471 2.230 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000469097397 560947186 /nfs/dbraw/zinc/94/71/86/560947186.db2.gz XYNDVVCBDYDABX-SJORKVTESA-N 1 2 363.408 2.110 20 30 FEEDLO Cn1ncc(C(=O)NCc2ccc(N3CCc4ccccc4C3)[nH+]c2)c1C#N ZINC000474910048 561085285 /nfs/dbraw/zinc/08/52/85/561085285.db2.gz KLBHAKWZOSCKLQ-UHFFFAOYSA-N 1 2 372.432 2.179 20 30 FEEDLO N#Cc1ccncc1N1CC[NH+]([C@H]2CCN(C3CCCCC3)C2=O)CC1 ZINC000528508737 562333039 /nfs/dbraw/zinc/33/30/39/562333039.db2.gz SSPPZNGUYIPKQO-SFHVURJKSA-N 1 2 353.470 2.009 20 30 FEEDLO CC(C)(C)c1ncc2c(n1)CC[N@@H+](C[C@@H](O)COc1ccccc1C#N)C2 ZINC000528596483 562337628 /nfs/dbraw/zinc/33/76/28/562337628.db2.gz AKRVUMWPLONONW-QGZVFWFLSA-N 1 2 366.465 2.444 20 30 FEEDLO CC(C)(C)c1ncc2c(n1)CC[N@H+](C[C@@H](O)COc1ccccc1C#N)C2 ZINC000528596483 562337629 /nfs/dbraw/zinc/33/76/29/562337629.db2.gz AKRVUMWPLONONW-QGZVFWFLSA-N 1 2 366.465 2.444 20 30 FEEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2C[C@@H](O)C[C@H]2C)c1C#N ZINC000530519695 562414319 /nfs/dbraw/zinc/41/43/19/562414319.db2.gz QZFMLDPFURIDLY-DOMZBBRYSA-N 1 2 356.426 2.012 20 30 FEEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2C[C@@H](O)C[C@H]2C)c1C#N ZINC000530519695 562414320 /nfs/dbraw/zinc/41/43/20/562414320.db2.gz QZFMLDPFURIDLY-DOMZBBRYSA-N 1 2 356.426 2.012 20 30 FEEDLO CN1CC[NH+]([C@@H](CNC(=O)Cc2cccc(C#N)c2)c2cccs2)CC1 ZINC000530915660 562428616 /nfs/dbraw/zinc/42/86/16/562428616.db2.gz IEERBAQRLCSLEA-SFHVURJKSA-N 1 2 368.506 2.267 20 30 FEEDLO CNC(=O)C1CC[NH+](CC(=O)Nc2ccccc2SC[C@@H](C)C#N)CC1 ZINC000533228967 562502238 /nfs/dbraw/zinc/50/22/38/562502238.db2.gz XLSOQASEIBIUKA-AWEZNQCLSA-N 1 2 374.510 2.335 20 30 FEEDLO CNC(=O)c1ccc(C[N@H+](C)Cc2cccc(C(=O)OC)c2C#N)cc1 ZINC000533777170 562517774 /nfs/dbraw/zinc/51/77/74/562517774.db2.gz MRMSUOZGZRMFAP-UHFFFAOYSA-N 1 2 351.406 2.336 20 30 FEEDLO CNC(=O)c1ccc(C[N@@H+](C)Cc2cccc(C(=O)OC)c2C#N)cc1 ZINC000533777170 562517775 /nfs/dbraw/zinc/51/77/75/562517775.db2.gz MRMSUOZGZRMFAP-UHFFFAOYSA-N 1 2 351.406 2.336 20 30 FEEDLO COC(=O)[C@H](c1cccc(C#N)c1)N1CCN(c2c[nH+]ccc2C)CC1 ZINC000534239947 562528233 /nfs/dbraw/zinc/52/82/33/562528233.db2.gz FMQYFLWSFJZKNK-IBGZPJMESA-N 1 2 350.422 2.298 20 30 FEEDLO CSc1[nH]c(=O)c(C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1C#N ZINC000535231384 562553583 /nfs/dbraw/zinc/55/35/83/562553583.db2.gz POSFZQHNWMQIQL-CYBMUJFWSA-N 1 2 360.483 2.185 20 30 FEEDLO N#Cc1cc(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)ccc1Cl ZINC000540881840 562595505 /nfs/dbraw/zinc/59/55/05/562595505.db2.gz FXCZXSYAZIMSCG-QGZVFWFLSA-N 1 2 365.886 2.149 20 30 FEEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH2+][C@@H](C)c1nnc(C)o1 ZINC000541691771 562617791 /nfs/dbraw/zinc/61/77/91/562617791.db2.gz SMSCKDSCUXULAW-QWHCGFSZSA-N 1 2 357.414 2.373 20 30 FEEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+](C)[C@@H]1CCCCN(C)C1=O ZINC000601970255 567890458 /nfs/dbraw/zinc/89/04/58/567890458.db2.gz NHDBRIHUHBLSFY-FUHWJXTLSA-N 1 2 356.470 2.264 20 30 FEEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)[C@@H]1CCCCN(C)C1=O ZINC000601970255 567890460 /nfs/dbraw/zinc/89/04/60/567890460.db2.gz NHDBRIHUHBLSFY-FUHWJXTLSA-N 1 2 356.470 2.264 20 30 FEEDLO C[C@@H](CCC#N)C[NH+]1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000602431126 567979612 /nfs/dbraw/zinc/97/96/12/567979612.db2.gz BVZOGPIYABTKBN-ZDUSSCGKSA-N 1 2 357.426 2.211 20 30 FEEDLO C[C@H]1C[NH+](CC(=O)N(C)Cc2c(F)cccc2Cl)C[C@H](C)N1CC#N ZINC000602854554 568002066 /nfs/dbraw/zinc/00/20/66/568002066.db2.gz BUFROVIKVSHSJB-KBPBESRZSA-N 1 2 366.868 2.356 20 30 FEEDLO C[N@H+](CC(=O)NCC1(c2ccccc2)CCOCC1)[C@H]1CCC[C@H]1C#N ZINC000602975423 568035878 /nfs/dbraw/zinc/03/58/78/568035878.db2.gz ASVPGJIRQZHVMQ-HKUYNNGSSA-N 1 2 355.482 2.475 20 30 FEEDLO C[N@@H+](CC(=O)NCC1(c2ccccc2)CCOCC1)[C@H]1CCC[C@H]1C#N ZINC000602975423 568035880 /nfs/dbraw/zinc/03/58/80/568035880.db2.gz ASVPGJIRQZHVMQ-HKUYNNGSSA-N 1 2 355.482 2.475 20 30 FEEDLO C[C@@H](CC#N)[NH2+]CC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F ZINC000602861332 568049628 /nfs/dbraw/zinc/04/96/28/568049628.db2.gz HCWMBDCHYOTMCW-GWCFXTLKSA-N 1 2 354.332 2.184 20 30 FEEDLO C[C@@H](CC#N)[NH2+]CC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000602861953 568049714 /nfs/dbraw/zinc/04/97/14/568049714.db2.gz IGEHXMOFRLHAOW-ZDUSSCGKSA-N 1 2 354.376 2.246 20 30 FEEDLO Cc1nc2c(cccc2NC(=O)N(CCC#N)CC[NH+]2CCOCC2)o1 ZINC000603035775 568054051 /nfs/dbraw/zinc/05/40/51/568054051.db2.gz YSXMLXLCJSMNPP-UHFFFAOYSA-N 1 2 357.414 2.216 20 30 FEEDLO C[C@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000569535709 568406534 /nfs/dbraw/zinc/40/65/34/568406534.db2.gz WASZXGQXDMLIGF-NTDBWNAOSA-N 1 2 369.513 2.405 20 30 FEEDLO C#CCCS(=O)(=O)N1CC[N@@H+](Cc2ccc(C)nc2)C[C@H]1[C@@H](C)CC ZINC000808302136 674450984 /nfs/dbraw/zinc/45/09/84/674450984.db2.gz CVSFXVVPVAKGIH-LPHOPBHVSA-N 1 2 363.527 2.275 20 30 FEEDLO C#CCCS(=O)(=O)N1CC[N@H+](Cc2ccc(C)nc2)C[C@H]1[C@@H](C)CC ZINC000808302136 674450986 /nfs/dbraw/zinc/45/09/86/674450986.db2.gz CVSFXVVPVAKGIH-LPHOPBHVSA-N 1 2 363.527 2.275 20 30 FEEDLO N#CCOc1ccc(CNc2c(-c3nn[nH]n3)c[nH+]c3ccccc32)cc1 ZINC000822815564 599522274 /nfs/dbraw/zinc/52/22/74/599522274.db2.gz SWUYINUOUPFNOP-UHFFFAOYSA-N 1 2 357.377 2.351 20 30 FEEDLO CC(C)(CNS(=O)(=O)c1ccc(C#N)o1)[N@@H+]1CCc2ccccc2C1 ZINC000557787567 674466696 /nfs/dbraw/zinc/46/66/96/674466696.db2.gz JXRCTARZHIYPDU-UHFFFAOYSA-N 1 2 359.451 2.266 20 30 FEEDLO CC(C)(CNS(=O)(=O)c1ccc(C#N)o1)[N@H+]1CCc2ccccc2C1 ZINC000557787567 674466697 /nfs/dbraw/zinc/46/66/97/674466697.db2.gz JXRCTARZHIYPDU-UHFFFAOYSA-N 1 2 359.451 2.266 20 30 FEEDLO COc1ccccc1[C@H](CNS(=O)(=O)CCC(C)(C)C#N)[NH+](C)C ZINC000558426709 674494915 /nfs/dbraw/zinc/49/49/15/674494915.db2.gz AWUQSQNSAYKLAG-HNNXBMFYSA-N 1 2 353.488 2.157 20 30 FEEDLO CCC[N@H+](Cc1ccc(C#N)cc1OC(F)F)[C@@H]1CC(=O)N(C)C1=O ZINC000558730162 674513411 /nfs/dbraw/zinc/51/34/11/674513411.db2.gz QKWXIZWVQVKWET-CYBMUJFWSA-N 1 2 351.353 2.129 20 30 FEEDLO CCC[N@@H+](Cc1ccc(C#N)cc1OC(F)F)[C@@H]1CC(=O)N(C)C1=O ZINC000558730162 674513412 /nfs/dbraw/zinc/51/34/12/674513412.db2.gz QKWXIZWVQVKWET-CYBMUJFWSA-N 1 2 351.353 2.129 20 30 FEEDLO C#CC[N@@H+](CC)CC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCCC2 ZINC000819702440 606074724 /nfs/dbraw/zinc/07/47/24/606074724.db2.gz ZIURVDJLNINVDM-UHFFFAOYSA-N 1 2 358.471 2.091 20 30 FEEDLO C#CC[N@H+](CC)CC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCCC2 ZINC000819702440 606074729 /nfs/dbraw/zinc/07/47/29/606074729.db2.gz ZIURVDJLNINVDM-UHFFFAOYSA-N 1 2 358.471 2.091 20 30 FEEDLO Cn1cc[nH+]c1NN=Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000811649496 674618812 /nfs/dbraw/zinc/61/88/12/674618812.db2.gz OEMNITTYNGJIQF-UHFFFAOYSA-N 1 2 371.138 2.379 20 30 FEEDLO C#CCC[NH+]1CCN(C(=O)c2nnn(-c3ccccc3Cl)c2C)CC1 ZINC000103433760 670783185 /nfs/dbraw/zinc/78/31/85/670783185.db2.gz WZMGJKWRGRPCAK-UHFFFAOYSA-N 1 2 357.845 2.010 20 30 FEEDLO CC[N@@H+]1CCN(S(=O)(=O)c2cc(Br)cc(C#N)c2)C[C@@H]1C ZINC000611083684 676016061 /nfs/dbraw/zinc/01/60/61/676016061.db2.gz USMJBDAOLUKODO-NSHDSACASA-N 1 2 372.288 2.035 20 30 FEEDLO CC[N@H+]1CCN(S(=O)(=O)c2cc(Br)cc(C#N)c2)C[C@@H]1C ZINC000611083684 676016063 /nfs/dbraw/zinc/01/60/63/676016063.db2.gz USMJBDAOLUKODO-NSHDSACASA-N 1 2 372.288 2.035 20 30 FEEDLO COc1ccc(C[N@@H+]2CC[C@](O)(CC#N)C2)c(Br)c1OC ZINC000592148092 672764210 /nfs/dbraw/zinc/76/42/10/672764210.db2.gz VUPQOLIXXHMACH-OAHLLOKOSA-N 1 2 355.232 2.317 20 30 FEEDLO COc1ccc(C[N@H+]2CC[C@](O)(CC#N)C2)c(Br)c1OC ZINC000592148092 672764211 /nfs/dbraw/zinc/76/42/11/672764211.db2.gz VUPQOLIXXHMACH-OAHLLOKOSA-N 1 2 355.232 2.317 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)Cc1ccc2c(c1)OC(F)(F)O2 ZINC000594035801 673023905 /nfs/dbraw/zinc/02/39/05/673023905.db2.gz WHJRMISSIIEPQT-INIZCTEOSA-N 1 2 353.369 2.494 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)Cc1ccc2c(c1)OC(F)(F)O2 ZINC000594035801 673023911 /nfs/dbraw/zinc/02/39/11/673023911.db2.gz WHJRMISSIIEPQT-INIZCTEOSA-N 1 2 353.369 2.494 20 30 FEEDLO C=C[C@](C)(O)C(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000613478998 676130991 /nfs/dbraw/zinc/13/09/91/676130991.db2.gz DQBRDVJHGNCWLK-HNNXBMFYSA-N 1 2 352.232 2.001 20 30 FEEDLO N#Cc1cc(Br)ccc1CC(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000598950323 673624759 /nfs/dbraw/zinc/62/47/59/673624759.db2.gz QPNJNRAXAQZKQH-AWEZNQCLSA-N 1 2 359.227 2.191 20 30 FEEDLO COC(=O)[C@]1(OC)CC[N@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000599565908 673692024 /nfs/dbraw/zinc/69/20/24/673692024.db2.gz XZAHARLMBHEPGX-HNNXBMFYSA-N 1 2 353.216 2.085 20 30 FEEDLO COC(=O)[C@]1(OC)CC[N@@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000599565908 673692026 /nfs/dbraw/zinc/69/20/26/673692026.db2.gz XZAHARLMBHEPGX-HNNXBMFYSA-N 1 2 353.216 2.085 20 30 FEEDLO C=CCn1cc(C[NH2+][C@@H](C)c2ccc(S(=O)(=O)C(F)F)cc2)nn1 ZINC000818347072 675215709 /nfs/dbraw/zinc/21/57/09/675215709.db2.gz QFOFFXQRRJJKNP-NSHDSACASA-N 1 2 356.398 2.311 20 30 FEEDLO CC#CCS(=O)(=O)c1cccc(C(=O)N(CCC)[C@H]2CC[N@H+](C)C2)c1 ZINC000823499478 675557239 /nfs/dbraw/zinc/55/72/39/675557239.db2.gz KEOLGAMCUYDHEJ-KRWDZBQOSA-N 1 2 362.495 2.040 20 30 FEEDLO CC#CCS(=O)(=O)c1cccc(C(=O)N(CCC)[C@H]2CC[N@@H+](C)C2)c1 ZINC000823499478 675557240 /nfs/dbraw/zinc/55/72/40/675557240.db2.gz KEOLGAMCUYDHEJ-KRWDZBQOSA-N 1 2 362.495 2.040 20 30 FEEDLO N#Cc1cc(F)c(S(=O)(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)c(F)c1 ZINC000618068245 676318263 /nfs/dbraw/zinc/31/82/63/676318263.db2.gz KAURGWKPAZIGBQ-ZDUSSCGKSA-N 1 2 355.410 2.132 20 30 FEEDLO N#Cc1cc(F)c(S(=O)(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)c(F)c1 ZINC000618068245 676318265 /nfs/dbraw/zinc/31/82/65/676318265.db2.gz KAURGWKPAZIGBQ-ZDUSSCGKSA-N 1 2 355.410 2.132 20 30 FEEDLO N#CCc1ccccc1S(=O)(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000619571849 676385467 /nfs/dbraw/zinc/38/54/67/676385467.db2.gz DOJRRVPDJXGCCG-UHFFFAOYSA-N 1 2 355.463 2.089 20 30 FEEDLO N#CCc1ccccc1S(=O)(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000619571849 676385468 /nfs/dbraw/zinc/38/54/68/676385468.db2.gz DOJRRVPDJXGCCG-UHFFFAOYSA-N 1 2 355.463 2.089 20 30 FEEDLO N#CCc1ccccc1S(=O)(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000619572602 676385562 /nfs/dbraw/zinc/38/55/62/676385562.db2.gz LUCIJCFPUAGDGW-UHFFFAOYSA-N 1 2 356.451 2.095 20 30 FEEDLO CC#CC[NH2+]Cc1cn([C@@H](C)C(=O)Nc2cc(Cl)ccc2OC)nn1 ZINC000640802628 677189089 /nfs/dbraw/zinc/18/90/89/677189089.db2.gz QVDFAEQVXMTDJD-LBPRGKRZSA-N 1 2 361.833 2.253 20 30 FEEDLO CC#CC[NH2+]Cc1cn(CC(=O)N[C@@H](CC)c2ccc(Cl)cc2)nn1 ZINC000640926492 677191868 /nfs/dbraw/zinc/19/18/68/677191868.db2.gz AEAKSQWXRRMJNW-KRWDZBQOSA-N 1 2 359.861 2.312 20 30 FEEDLO CC#CC[C@H](CO)NC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000646183541 677280553 /nfs/dbraw/zinc/28/05/53/677280553.db2.gz ILYCAQCORWVMFN-ZIAGYGMSSA-N 1 2 350.488 2.271 20 30 FEEDLO CC#CC[C@H](CO)NC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000646183541 677280554 /nfs/dbraw/zinc/28/05/54/677280554.db2.gz ILYCAQCORWVMFN-ZIAGYGMSSA-N 1 2 350.488 2.271 20 30 FEEDLO C=CCn1cc(C(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)nn1 ZINC000648724858 677319385 /nfs/dbraw/zinc/31/93/85/677319385.db2.gz OLLBXTCAVXEQFQ-UHFFFAOYSA-N 1 2 359.861 2.466 20 30 FEEDLO C=CCn1cc(C(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)nn1 ZINC000648724858 677319386 /nfs/dbraw/zinc/31/93/86/677319386.db2.gz OLLBXTCAVXEQFQ-UHFFFAOYSA-N 1 2 359.861 2.466 20 30 FEEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)nn1 ZINC000648840187 677321454 /nfs/dbraw/zinc/32/14/54/677321454.db2.gz GCVJDVUAUZSNOM-ZBFHGGJFSA-N 1 2 363.824 2.432 20 30 FEEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)nn1 ZINC000648840187 677321455 /nfs/dbraw/zinc/32/14/55/677321455.db2.gz GCVJDVUAUZSNOM-ZBFHGGJFSA-N 1 2 363.824 2.432 20 30 FEEDLO C=CCn1nnn(C[NH2+]C2(C(=O)N(CC)CC)CCCCC2)c1=S ZINC000763339654 680780499 /nfs/dbraw/zinc/78/04/99/680780499.db2.gz SVKJAXRZTNOQEX-UHFFFAOYSA-N 1 2 352.508 2.113 20 30 FEEDLO C=CCN1CCN(C[N@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)C1=O ZINC000840042600 680794712 /nfs/dbraw/zinc/79/47/12/680794712.db2.gz GUXVYTHPHPTAGA-ZDUSSCGKSA-N 1 2 357.380 2.420 20 30 FEEDLO C=CCN1CCN(C[N@@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)C1=O ZINC000840042600 680794713 /nfs/dbraw/zinc/79/47/13/680794713.db2.gz GUXVYTHPHPTAGA-ZDUSSCGKSA-N 1 2 357.380 2.420 20 30 FEEDLO C=C(Br)C[N@@H+]1CC[C@]2(NC(=O)[C@H]3OCC[C@H]3C)CCC[C@@H]12 ZINC000992212646 680097103 /nfs/dbraw/zinc/09/71/03/680097103.db2.gz XQWVCHTZBQMQJO-OEYIWLLWSA-N 1 2 357.292 2.433 20 30 FEEDLO C=C(Br)C[N@H+]1CC[C@]2(NC(=O)[C@H]3OCC[C@H]3C)CCC[C@@H]12 ZINC000992212646 680097105 /nfs/dbraw/zinc/09/71/05/680097105.db2.gz XQWVCHTZBQMQJO-OEYIWLLWSA-N 1 2 357.292 2.433 20 30 FEEDLO C=C(Cl)C(C)(C)C(=O)N1CC[C@H]1CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000977913854 680166181 /nfs/dbraw/zinc/16/61/81/680166181.db2.gz ABIDIZHIZCHRPB-BFHYXJOUSA-N 1 2 364.877 2.351 20 30 FEEDLO C=C(Cl)C(C)(C)C(=O)N1CC[C@H]1CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000977913854 680166184 /nfs/dbraw/zinc/16/61/84/680166184.db2.gz ABIDIZHIZCHRPB-BFHYXJOUSA-N 1 2 364.877 2.351 20 30 FEEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)C(C)C)C1 ZINC000993607373 680172556 /nfs/dbraw/zinc/17/25/56/680172556.db2.gz REMLRXIOWBWVKO-ZIAGYGMSSA-N 1 2 366.893 2.265 20 30 FEEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC2)s1 ZINC000981644153 680243160 /nfs/dbraw/zinc/24/31/60/680243160.db2.gz FWPSDUTZRUARDU-WKULXVSPSA-N 1 2 357.479 2.077 20 30 FEEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC2)s1 ZINC000981644153 680243163 /nfs/dbraw/zinc/24/31/63/680243163.db2.gz FWPSDUTZRUARDU-WKULXVSPSA-N 1 2 357.479 2.077 20 30 FEEDLO C#CCOCCC(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000754520601 680361024 /nfs/dbraw/zinc/36/10/24/680361024.db2.gz VSCWDQCPKMZIPF-UHFFFAOYSA-N 1 2 364.243 2.104 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2csnc2OC)C1 ZINC001033496553 680424642 /nfs/dbraw/zinc/42/46/42/680424642.db2.gz GKDLBKJVBVPTQW-JYJNAYRXSA-N 1 2 365.499 2.166 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2csnc2OC)C1 ZINC001033496553 680424643 /nfs/dbraw/zinc/42/46/43/680424643.db2.gz GKDLBKJVBVPTQW-JYJNAYRXSA-N 1 2 365.499 2.166 20 30 FEEDLO C#CCCN(CC(F)(F)F)C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000767164435 680901185 /nfs/dbraw/zinc/90/11/85/680901185.db2.gz HRLLDTMOEAIKNE-UHFFFAOYSA-N 1 2 356.392 2.046 20 30 FEEDLO COC[C@H](C[N@@H+]1CCO[C@H](C)C1)OC(=O)c1ccc(C#N)c(Cl)c1 ZINC000842973010 680979426 /nfs/dbraw/zinc/97/94/26/680979426.db2.gz KHIQHZYBZUACOU-DOMZBBRYSA-N 1 2 352.818 2.104 20 30 FEEDLO COC[C@H](C[N@H+]1CCO[C@H](C)C1)OC(=O)c1ccc(C#N)c(Cl)c1 ZINC000842973010 680979428 /nfs/dbraw/zinc/97/94/28/680979428.db2.gz KHIQHZYBZUACOU-DOMZBBRYSA-N 1 2 352.818 2.104 20 30 FEEDLO N#Cc1cnc(N[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)c(Cl)c1 ZINC001059454471 681180732 /nfs/dbraw/zinc/18/07/32/681180732.db2.gz RWCQLZKUOPPSDQ-FDYHWXHSSA-N 1 2 356.817 2.193 20 30 FEEDLO N#Cc1cnc(N[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)c(Cl)c1 ZINC001059454471 681180734 /nfs/dbraw/zinc/18/07/34/681180734.db2.gz RWCQLZKUOPPSDQ-FDYHWXHSSA-N 1 2 356.817 2.193 20 30 FEEDLO CON(C)C(=O)C[NH+]1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932947876 681333542 /nfs/dbraw/zinc/33/35/42/681333542.db2.gz HTBXWNYQZIGRIV-RNFRBKRXSA-N 1 2 370.240 2.109 20 30 FEEDLO C[N@H+](Cc1cc(C#N)cs1)C[C@@](C)(O)c1ccc(S(C)(=O)=O)cc1 ZINC000933774154 681466452 /nfs/dbraw/zinc/46/64/52/681466452.db2.gz XJSHLRFYEMYUJJ-QGZVFWFLSA-N 1 2 364.492 2.363 20 30 FEEDLO C[N@@H+](Cc1cc(C#N)cs1)C[C@@](C)(O)c1ccc(S(C)(=O)=O)cc1 ZINC000933774154 681466455 /nfs/dbraw/zinc/46/64/55/681466455.db2.gz XJSHLRFYEMYUJJ-QGZVFWFLSA-N 1 2 364.492 2.363 20 30 FEEDLO N#Cc1cc(CS(=O)(=O)NCc2cc[nH+]c(N3CCCC3)c2)cs1 ZINC000913884116 685487598 /nfs/dbraw/zinc/48/75/98/685487598.db2.gz KHJSDKZDWPRKAM-UHFFFAOYSA-N 1 2 362.480 2.235 20 30 FEEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)[C@]23C[C@H]2COC3)C(C)(C)C1 ZINC000940759663 682080968 /nfs/dbraw/zinc/08/09/68/682080968.db2.gz LAFWVTYOOKASOQ-ZENOOKHLSA-N 1 2 357.292 2.148 20 30 FEEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)[C@]23C[C@H]2COC3)C(C)(C)C1 ZINC000940759663 682080975 /nfs/dbraw/zinc/08/09/75/682080975.db2.gz LAFWVTYOOKASOQ-ZENOOKHLSA-N 1 2 357.292 2.148 20 30 FEEDLO C=CCNC(=O)C[N@H+]1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000852336085 682263001 /nfs/dbraw/zinc/26/30/01/682263001.db2.gz UVVITCJPSPNTNG-KOLCDFICSA-N 1 2 366.097 2.117 20 30 FEEDLO C=CCNC(=O)C[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000852336085 682263004 /nfs/dbraw/zinc/26/30/04/682263004.db2.gz UVVITCJPSPNTNG-KOLCDFICSA-N 1 2 366.097 2.117 20 30 FEEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CCN(C(=O)Cc3[nH]c[nH+]c3C)C[C@H]21 ZINC000972340003 682407463 /nfs/dbraw/zinc/40/74/63/682407463.db2.gz NXEVGDDONRMOKG-UKRRQHHQSA-N 1 2 364.877 2.099 20 30 FEEDLO C#CC[C@H](COC)NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000858332747 682958418 /nfs/dbraw/zinc/95/84/18/682958418.db2.gz NHIROMDKXBSXPG-XOKHGSTOSA-N 1 2 351.397 2.048 20 30 FEEDLO C#CC[C@H](COC)NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000858332747 682958420 /nfs/dbraw/zinc/95/84/20/682958420.db2.gz NHIROMDKXBSXPG-XOKHGSTOSA-N 1 2 351.397 2.048 20 30 FEEDLO CCC(C#N)(CC)C(=O)OCC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000860193036 683214138 /nfs/dbraw/zinc/21/41/38/683214138.db2.gz DMWJIUFZTMBOJE-UHFFFAOYSA-N 1 2 363.483 2.265 20 30 FEEDLO C#CC[N@@H+](Cc1c(C)nn(CCS(C)(=O)=O)c1C)C1CCCCC1 ZINC000797952583 683293063 /nfs/dbraw/zinc/29/30/63/683293063.db2.gz UNTOROIULOHGCV-UHFFFAOYSA-N 1 2 351.516 2.312 20 30 FEEDLO C#CC[N@H+](Cc1c(C)nn(CCS(C)(=O)=O)c1C)C1CCCCC1 ZINC000797952583 683293070 /nfs/dbraw/zinc/29/30/70/683293070.db2.gz UNTOROIULOHGCV-UHFFFAOYSA-N 1 2 351.516 2.312 20 30 FEEDLO C#CCC[C@H](O)CNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000798444579 683348623 /nfs/dbraw/zinc/34/86/23/683348623.db2.gz UJCTUSNJFKTWLN-XKQJLSEDSA-N 1 2 367.852 2.298 20 30 FEEDLO C#CCC[C@H](O)CNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000798444579 683348630 /nfs/dbraw/zinc/34/86/30/683348630.db2.gz UJCTUSNJFKTWLN-XKQJLSEDSA-N 1 2 367.852 2.298 20 30 FEEDLO C=C(Br)CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000921043234 683390262 /nfs/dbraw/zinc/39/02/62/683390262.db2.gz MHWHJEAPJZGNFT-UHFFFAOYSA-N 1 2 351.160 2.419 20 30 FEEDLO CC(=NNCCC[NH+]1CCOCC1)c1cc(Br)cc(F)c1O ZINC000799489987 683460249 /nfs/dbraw/zinc/46/02/49/683460249.db2.gz KFQRJUKUFXJYSZ-UHFFFAOYSA-N 1 2 374.254 2.330 20 30 FEEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cc3c(C(F)F)nn(C)c3s2)C1 ZINC000923561346 684306118 /nfs/dbraw/zinc/30/61/18/684306118.db2.gz ADRPCFGXETUQKD-SNVBAGLBSA-N 1 2 352.410 2.400 20 30 FEEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cc3c(C(F)F)nn(C)c3s2)C1 ZINC000923561346 684306121 /nfs/dbraw/zinc/30/61/21/684306121.db2.gz ADRPCFGXETUQKD-SNVBAGLBSA-N 1 2 352.410 2.400 20 30 FEEDLO C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000867538257 684308869 /nfs/dbraw/zinc/30/88/69/684308869.db2.gz XAABOCIOGMGDBA-CHWSQXEVSA-N 1 2 368.865 2.350 20 30 FEEDLO C#C[C@@H](NC(=O)/C=C/C[NH+]1CCOCC1)c1ccc(Br)cc1 ZINC000868619252 684518963 /nfs/dbraw/zinc/51/89/63/684518963.db2.gz JCNKKTFCVCZVFM-QDLOVBKTSA-N 1 2 363.255 2.128 20 30 FEEDLO N#Cc1ccc(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)nc1Cl ZINC000870995934 684778675 /nfs/dbraw/zinc/77/86/75/684778675.db2.gz AXLFLRWPQHXAQS-UHFFFAOYSA-N 1 2 373.869 2.485 20 30 FEEDLO C[C@]1(C(F)(F)F)CC[N@@H+]([C@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C1 ZINC000871598962 684832666 /nfs/dbraw/zinc/83/26/66/684832666.db2.gz FSQYLMWFBBZANR-BBRMVZONSA-N 1 2 351.328 2.464 20 30 FEEDLO C[C@]1(C(F)(F)F)CC[N@H+]([C@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C1 ZINC000871598962 684832668 /nfs/dbraw/zinc/83/26/68/684832668.db2.gz FSQYLMWFBBZANR-BBRMVZONSA-N 1 2 351.328 2.464 20 30 FEEDLO C=CC[N@H+](CN1CC2(CC1=O)CCC1(CC2)OCCO1)[C@H](C)COC ZINC000872624080 684991259 /nfs/dbraw/zinc/99/12/59/684991259.db2.gz HMWMLAMEVQRPCP-MRXNPFEDSA-N 1 2 352.475 2.003 20 30 FEEDLO C=CC[N@@H+](CN1CC2(CC1=O)CCC1(CC2)OCCO1)[C@H](C)COC ZINC000872624080 684991260 /nfs/dbraw/zinc/99/12/60/684991260.db2.gz HMWMLAMEVQRPCP-MRXNPFEDSA-N 1 2 352.475 2.003 20 30 FEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000884117897 687793959 /nfs/dbraw/zinc/79/39/59/687793959.db2.gz OWVWLVQJZVCCGQ-KWCYVHTRSA-N 1 2 356.344 2.124 20 30 FEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@@H](c2ccc(F)c(F)c2)C1 ZINC000884428411 687869497 /nfs/dbraw/zinc/86/94/97/687869497.db2.gz BZOZCBKGWYAJAY-CJNGLKHVSA-N 1 2 352.381 2.117 20 30 FEEDLO Cc1ccccc1[C@H](CO)[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000886433733 688256084 /nfs/dbraw/zinc/25/60/84/688256084.db2.gz SLOWOXMGPHFNGW-IBGZPJMESA-N 1 2 358.463 2.306 20 30 FEEDLO Cc1ccccc1[C@H](CO)[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000886433733 688256089 /nfs/dbraw/zinc/25/60/89/688256089.db2.gz SLOWOXMGPHFNGW-IBGZPJMESA-N 1 2 358.463 2.306 20 30 FEEDLO N#Cc1ccc(-c2nnc(C[N@H+]3CC[C@](CO)(C(F)(F)F)C3)o2)cc1 ZINC000886798470 688314331 /nfs/dbraw/zinc/31/43/31/688314331.db2.gz BHQDTOBWSNVVEF-HNNXBMFYSA-N 1 2 352.316 2.355 20 30 FEEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3CC[C@](CO)(C(F)(F)F)C3)o2)cc1 ZINC000886798470 688314338 /nfs/dbraw/zinc/31/43/38/688314338.db2.gz BHQDTOBWSNVVEF-HNNXBMFYSA-N 1 2 352.316 2.355 20 30 FEEDLO Cn1ccnc1C[NH+]1CCC(C(=O)Nc2nc(Cl)c(C#N)s2)CC1 ZINC000890452940 688922546 /nfs/dbraw/zinc/92/25/46/688922546.db2.gz XNNDNTMPYSFWOI-UHFFFAOYSA-N 1 2 364.862 2.252 20 30 FEEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccccc2SC(F)F)C1 ZINC000891606683 689083277 /nfs/dbraw/zinc/08/32/77/689083277.db2.gz OSUYYWWKMPSBEO-LBPRGKRZSA-N 1 2 367.421 2.154 20 30 FEEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccccc2SC(F)F)C1 ZINC000891606683 689083279 /nfs/dbraw/zinc/08/32/79/689083279.db2.gz OSUYYWWKMPSBEO-LBPRGKRZSA-N 1 2 367.421 2.154 20 30 FEEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(SC(F)F)c2)C1 ZINC000891606018 689083296 /nfs/dbraw/zinc/08/32/96/689083296.db2.gz JOVAUQKQRZGUGP-CYBMUJFWSA-N 1 2 367.421 2.154 20 30 FEEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(SC(F)F)c2)C1 ZINC000891606018 689083297 /nfs/dbraw/zinc/08/32/97/689083297.db2.gz JOVAUQKQRZGUGP-CYBMUJFWSA-N 1 2 367.421 2.154 20 30 FEEDLO N#Cc1cnc(N2CC[NH+](CCCCCO)CC2)c(Br)c1 ZINC000894965392 689630880 /nfs/dbraw/zinc/63/08/80/689630880.db2.gz DXMHPUTWMBMELN-UHFFFAOYSA-N 1 2 353.264 2.000 20 30 FEEDLO N#Cc1cc(C[NH+]2CCC(S(=O)(=O)N3CCCCC3)CC2)cs1 ZINC000897270856 689997973 /nfs/dbraw/zinc/99/79/73/689997973.db2.gz CFRCYCVHTFGGMI-UHFFFAOYSA-N 1 2 353.513 2.400 20 30 FEEDLO Cc1csc(C[C@@H]2CC[N@H+](Cn3cc4c(c(C#N)c3=O)CCC4)C2)n1 ZINC000902537249 690776063 /nfs/dbraw/zinc/77/60/63/690776063.db2.gz BRMFVAVMCSEQCO-AWEZNQCLSA-N 1 2 354.479 2.496 20 30 FEEDLO Cc1csc(C[C@@H]2CC[N@@H+](Cn3cc4c(c(C#N)c3=O)CCC4)C2)n1 ZINC000902537249 690776067 /nfs/dbraw/zinc/77/60/67/690776067.db2.gz BRMFVAVMCSEQCO-AWEZNQCLSA-N 1 2 354.479 2.496 20 30 FEEDLO CCOc1ccc(NC[C@H](O)C[N@H+](C)CCC#N)cc1Br ZINC000819474136 675293195 /nfs/dbraw/zinc/29/31/95/675293195.db2.gz PJVCIGHVEVUOCM-ZDUSSCGKSA-N 1 2 356.264 2.466 20 30 FEEDLO CCOc1ccc(NC[C@H](O)C[N@@H+](C)CCC#N)cc1Br ZINC000819474136 675293199 /nfs/dbraw/zinc/29/31/99/675293199.db2.gz PJVCIGHVEVUOCM-ZDUSSCGKSA-N 1 2 356.264 2.466 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cc(=O)[nH]c4ccccc43)CC2)cc1 ZINC000017843412 539644110 /nfs/dbraw/zinc/64/41/10/539644110.db2.gz JIEVVZIQQQUVHS-UHFFFAOYSA-N 1 2 372.428 2.358 20 30 FEEDLO C=CC[N@@H+](CC(=O)Nc1cccc(S(N)(=O)=O)c1)Cc1cccs1 ZINC000019540487 539659461 /nfs/dbraw/zinc/65/94/61/539659461.db2.gz JBGMBFUYJYHEAF-UHFFFAOYSA-N 1 2 365.480 2.022 20 30 FEEDLO C=CC[N@H+](CC(=O)Nc1cccc(S(N)(=O)=O)c1)Cc1cccs1 ZINC000019540487 539659466 /nfs/dbraw/zinc/65/94/66/539659466.db2.gz JBGMBFUYJYHEAF-UHFFFAOYSA-N 1 2 365.480 2.022 20 30 FEEDLO C=CCNC(=O)C[NH+]1CCN(CCOc2ccc(Cl)cc2Cl)CC1 ZINC000023264846 539711065 /nfs/dbraw/zinc/71/10/65/539711065.db2.gz HNUACJCFFQYDOC-UHFFFAOYSA-N 1 2 372.296 2.292 20 30 FEEDLO C=CCNC(=O)CN1CC[NH+](CCOc2ccc(Cl)cc2Cl)CC1 ZINC000023264846 539711071 /nfs/dbraw/zinc/71/10/71/539711071.db2.gz HNUACJCFFQYDOC-UHFFFAOYSA-N 1 2 372.296 2.292 20 30 FEEDLO C[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)Cc1cccc(C#N)c1 ZINC000026330465 539783492 /nfs/dbraw/zinc/78/34/92/539783492.db2.gz GXYXIMSTGZKOTC-UHFFFAOYSA-N 1 2 350.378 2.488 20 30 FEEDLO C[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)Cc1cccc(C#N)c1 ZINC000026330465 539783494 /nfs/dbraw/zinc/78/34/94/539783494.db2.gz GXYXIMSTGZKOTC-UHFFFAOYSA-N 1 2 350.378 2.488 20 30 FEEDLO Cc1nnc(N2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)c(C#N)c1C ZINC000029428844 539852569 /nfs/dbraw/zinc/85/25/69/539852569.db2.gz UMXIQUYYNKUQMT-UHFFFAOYSA-N 1 2 365.437 2.059 20 30 FEEDLO CCCNC(=O)C1CC[NH+](CC(=O)Nc2ccccc2SCC#N)CC1 ZINC000042685930 540073942 /nfs/dbraw/zinc/07/39/42/540073942.db2.gz IRDOUTNAPWTTAI-UHFFFAOYSA-N 1 2 374.510 2.479 20 30 FEEDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000045785937 540227468 /nfs/dbraw/zinc/22/74/68/540227468.db2.gz PQNJNABWOIXZJB-KGLIPLIRSA-N 1 2 354.372 2.282 20 30 FEEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000045785937 540227473 /nfs/dbraw/zinc/22/74/73/540227473.db2.gz PQNJNABWOIXZJB-KGLIPLIRSA-N 1 2 354.372 2.282 20 30 FEEDLO N#Cc1cccc(CNC(=O)N2CC[NH+](CCOc3ccccc3)CC2)c1 ZINC000046040817 540239139 /nfs/dbraw/zinc/23/91/39/540239139.db2.gz ODHGDYHAFAPYCR-UHFFFAOYSA-N 1 2 364.449 2.464 20 30 FEEDLO C[C@H]1CCC[C@H](C)N1C(=O)CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000049971023 540395307 /nfs/dbraw/zinc/39/53/07/540395307.db2.gz HCFRXAFCMRVGHK-ROUUACIJSA-N 1 2 354.498 2.465 20 30 FEEDLO C[C@H]1CCC[C@H](C)N1C(=O)C[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000049971023 540395311 /nfs/dbraw/zinc/39/53/11/540395311.db2.gz HCFRXAFCMRVGHK-ROUUACIJSA-N 1 2 354.498 2.465 20 30 FEEDLO C[C@H](C(=O)N(C)CCC#N)[NH+]1CCN(c2nc3ccccc3s2)CC1 ZINC000057594838 540803592 /nfs/dbraw/zinc/80/35/92/540803592.db2.gz STSWYVXNOBZSKZ-CQSZACIVSA-N 1 2 357.483 2.179 20 30 FEEDLO COc1ccc(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)cc1[N+](=O)[O-] ZINC000060480564 541113522 /nfs/dbraw/zinc/11/35/22/541113522.db2.gz PUXJDEUPXZWLKP-UHFFFAOYSA-N 1 2 353.382 2.192 20 30 FEEDLO Cc1ccc(C)c(SCC(=O)N(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000060633932 541120061 /nfs/dbraw/zinc/12/00/61/541120061.db2.gz YAQYKONNIMNZON-UHFFFAOYSA-N 1 2 361.511 2.470 20 30 FEEDLO C[C@H](Oc1ccc(Cl)cc1)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000060633999 541119750 /nfs/dbraw/zinc/11/97/50/541119750.db2.gz AMTNFTRFHSGOIX-HNNXBMFYSA-N 1 2 365.861 2.182 20 30 FEEDLO COCC[N@H+](CC(=O)N1CCO[C@@H]2CCCC[C@H]21)Cc1ccc(C#N)cc1 ZINC000063753674 541183879 /nfs/dbraw/zinc/18/38/79/541183879.db2.gz ITZGBDZGCMSYBM-WOJBJXKFSA-N 1 2 371.481 2.177 20 30 FEEDLO COCC[N@@H+](CC(=O)N1CCO[C@@H]2CCCC[C@H]21)Cc1ccc(C#N)cc1 ZINC000063753674 541183882 /nfs/dbraw/zinc/18/38/82/541183882.db2.gz ITZGBDZGCMSYBM-WOJBJXKFSA-N 1 2 371.481 2.177 20 30 FEEDLO C[C@@H](C(=O)NCc1cccs1)[N@@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000064633305 541212888 /nfs/dbraw/zinc/21/28/88/541212888.db2.gz GPDJDEOKGUENRL-HNNXBMFYSA-N 1 2 369.494 2.232 20 30 FEEDLO C[C@@H](C(=O)NCc1cccs1)[N@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000064633305 541212890 /nfs/dbraw/zinc/21/28/90/541212890.db2.gz GPDJDEOKGUENRL-HNNXBMFYSA-N 1 2 369.494 2.232 20 30 FEEDLO C=CCOc1cccc(NC(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)c1 ZINC000067349462 541447112 /nfs/dbraw/zinc/44/71/12/541447112.db2.gz FEQXYNPXCLYTND-UHFFFAOYSA-N 1 2 368.437 2.082 20 30 FEEDLO CC1CCN(c2ccc(CNS(=O)(=O)CCCCC#N)c[nH+]2)CC1 ZINC000068881587 541636724 /nfs/dbraw/zinc/63/67/24/541636724.db2.gz GZVQVDWCOJPHGJ-UHFFFAOYSA-N 1 2 350.488 2.431 20 30 FEEDLO CN(C(=O)C[N@@H+]1CCCC[C@@H]1C(=O)N1CCCC1)C1(C#N)CCCCC1 ZINC000068959924 541644633 /nfs/dbraw/zinc/64/46/33/541644633.db2.gz OIZUSPOKQNEHAE-QGZVFWFLSA-N 1 2 360.502 2.148 20 30 FEEDLO CN(C(=O)C[N@H+]1CCCC[C@@H]1C(=O)N1CCCC1)C1(C#N)CCCCC1 ZINC000068959924 541644636 /nfs/dbraw/zinc/64/46/36/541644636.db2.gz OIZUSPOKQNEHAE-QGZVFWFLSA-N 1 2 360.502 2.148 20 30 FEEDLO COCC[N@H+](CC(=O)N1CCO[C@@H]2CCCC[C@@H]21)Cc1ccc(C#N)cc1 ZINC000069071934 541653710 /nfs/dbraw/zinc/65/37/10/541653710.db2.gz ITZGBDZGCMSYBM-VQTJNVASSA-N 1 2 371.481 2.177 20 30 FEEDLO COCC[N@@H+](CC(=O)N1CCO[C@@H]2CCCC[C@@H]21)Cc1ccc(C#N)cc1 ZINC000069071934 541653711 /nfs/dbraw/zinc/65/37/11/541653711.db2.gz ITZGBDZGCMSYBM-VQTJNVASSA-N 1 2 371.481 2.177 20 30 FEEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000069078441 541654660 /nfs/dbraw/zinc/65/46/60/541654660.db2.gz FDLIEFZZGHQFEI-GDBMZVCRSA-N 1 2 370.432 2.251 20 30 FEEDLO CCCNC(=O)C[N@H+](CCC)CC(=O)Nc1ccccc1SCC#N ZINC000072579074 541834300 /nfs/dbraw/zinc/83/43/00/541834300.db2.gz WRYMUYMFCKZATA-UHFFFAOYSA-N 1 2 362.499 2.479 20 30 FEEDLO CCCNC(=O)C[N@@H+](CCC)CC(=O)Nc1ccccc1SCC#N ZINC000072579074 541834302 /nfs/dbraw/zinc/83/43/02/541834302.db2.gz WRYMUYMFCKZATA-UHFFFAOYSA-N 1 2 362.499 2.479 20 30 FEEDLO CCN(C[C@H](C)C#N)C(=O)CN(C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000072774231 541862273 /nfs/dbraw/zinc/86/22/73/541862273.db2.gz GOKCTVRSRKTDRV-QGZVFWFLSA-N 1 2 353.470 2.371 20 30 FEEDLO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@@H+]2CC[C@H](O)C2)c1C#N ZINC000074313743 542066994 /nfs/dbraw/zinc/06/69/94/542066994.db2.gz NWEOYQQUOPCVOB-INIZCTEOSA-N 1 2 356.401 2.110 20 30 FEEDLO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@H+]2CC[C@H](O)C2)c1C#N ZINC000074313743 542066999 /nfs/dbraw/zinc/06/69/99/542066999.db2.gz NWEOYQQUOPCVOB-INIZCTEOSA-N 1 2 356.401 2.110 20 30 FEEDLO CSc1[nH]c(=O)c(C(=O)NCc2ccccc2C[NH+](C)C)cc1C#N ZINC000074344969 542072122 /nfs/dbraw/zinc/07/21/22/542072122.db2.gz UGHFKJLOGOJTSP-UHFFFAOYSA-N 1 2 356.451 2.372 20 30 FEEDLO CSc1[nH]c(=O)c(C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)cc1C#N ZINC000074828628 542125041 /nfs/dbraw/zinc/12/50/41/542125041.db2.gz DTMLJRDZOCQVEG-ZDUSSCGKSA-N 1 2 360.483 2.185 20 30 FEEDLO CSc1[nH]c(=O)c(C(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cc1C#N ZINC000074828628 542125045 /nfs/dbraw/zinc/12/50/45/542125045.db2.gz DTMLJRDZOCQVEG-ZDUSSCGKSA-N 1 2 360.483 2.185 20 30 FEEDLO Cc1cc(C#N)ccc1S(=O)(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000077373635 542373441 /nfs/dbraw/zinc/37/34/41/542373441.db2.gz ZEAFUTWEHLYJBD-UHFFFAOYSA-N 1 2 369.490 2.416 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCC(C(=O)c2ccc(O)cc2)CC1 ZINC000078657563 542474373 /nfs/dbraw/zinc/47/43/73/542474373.db2.gz SSMGBVFWSALGET-HXUWFJFHSA-N 1 2 357.454 2.341 20 30 FEEDLO Cc1cc(C)c(C#N)c(N2CC[NH+](CC(=O)N3CCCC[C@H]3C)CC2)n1 ZINC000079024432 542494491 /nfs/dbraw/zinc/49/44/91/542494491.db2.gz OOVXPBVLEVAKEU-QGZVFWFLSA-N 1 2 355.486 2.093 20 30 FEEDLO Cn1c(CN(CCC#N)CC[NH+]2CCOCC2)nc2cc(Cl)ccc21 ZINC000081211947 542639737 /nfs/dbraw/zinc/63/97/37/542639737.db2.gz FGIKSENJWYGBGT-UHFFFAOYSA-N 1 2 361.877 2.275 20 30 FEEDLO Cc1nn(-c2ccccc2)c(C[NH+]2CCC(OCCCO)CC2)c1C#N ZINC000091072042 542793314 /nfs/dbraw/zinc/79/33/14/542793314.db2.gz CUUNUTGRMVCDPA-UHFFFAOYSA-N 1 2 354.454 2.416 20 30 FEEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+](C)Cc2ccccc2Cl)CC1 ZINC000092616787 542875618 /nfs/dbraw/zinc/87/56/18/542875618.db2.gz LFADUJORRJIZMA-SFHVURJKSA-N 1 2 362.905 2.464 20 30 FEEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+](C)Cc2ccccc2Cl)CC1 ZINC000092616787 542875621 /nfs/dbraw/zinc/87/56/21/542875621.db2.gz LFADUJORRJIZMA-SFHVURJKSA-N 1 2 362.905 2.464 20 30 FEEDLO CSc1[nH]c(=O)c(C(=O)NCC[N@@H+]2CCc3sccc3C2)cc1C#N ZINC000097152500 543006433 /nfs/dbraw/zinc/00/64/33/543006433.db2.gz MTMNOJBBJXAERP-UHFFFAOYSA-N 1 2 374.491 2.230 20 30 FEEDLO CSc1[nH]c(=O)c(C(=O)NCC[N@H+]2CCc3sccc3C2)cc1C#N ZINC000097152500 543006436 /nfs/dbraw/zinc/00/64/36/543006436.db2.gz MTMNOJBBJXAERP-UHFFFAOYSA-N 1 2 374.491 2.230 20 30 FEEDLO N#Cc1ccccc1N1CC[NH+](CC(=O)NCc2cc(F)cc(F)c2)CC1 ZINC000101554325 543032305 /nfs/dbraw/zinc/03/23/05/543032305.db2.gz NIEYUXMGVUXHFT-UHFFFAOYSA-N 1 2 370.403 2.275 20 30 FEEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN(C(=O)Cc2ccc(C)cc2)CC1 ZINC000101562621 543032601 /nfs/dbraw/zinc/03/26/01/543032601.db2.gz ZOXVQGMHROEXBG-IBGZPJMESA-N 1 2 369.509 2.271 20 30 FEEDLO COc1ccccc1C[NH+]1CCN(CC(=O)Nc2cccc(C#N)c2)CC1 ZINC000102775252 543080075 /nfs/dbraw/zinc/08/00/75/543080075.db2.gz IPBJSEIKBCVHSA-UHFFFAOYSA-N 1 2 364.449 2.323 20 30 FEEDLO C[C@](C#N)(NC(=O)C[NH+]1CCC(Oc2cccc(C#N)c2)CC1)C1CC1 ZINC000104715736 543138095 /nfs/dbraw/zinc/13/80/95/543138095.db2.gz IMLOFAFBPORCIO-HXUWFJFHSA-N 1 2 352.438 2.210 20 30 FEEDLO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](CCC#N)CC(C)(C)C)cc2=O ZINC000109812921 543339915 /nfs/dbraw/zinc/33/99/15/543339915.db2.gz SKXQLNLZGMKMPF-UHFFFAOYSA-N 1 2 359.430 2.373 20 30 FEEDLO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+](CCC#N)CC(C)(C)C)cc2=O ZINC000109812921 543339916 /nfs/dbraw/zinc/33/99/16/543339916.db2.gz SKXQLNLZGMKMPF-UHFFFAOYSA-N 1 2 359.430 2.373 20 30 FEEDLO Cc1nnc(N2CC[NH+](Cc3cnn(C(C)(C)C)c3)CC2)c(C#N)c1C ZINC000110563882 543361182 /nfs/dbraw/zinc/36/11/82/543361182.db2.gz NKXCGBDXGYDNDP-UHFFFAOYSA-N 1 2 353.474 2.239 20 30 FEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](CC)[C@@H]1CCN(c2ccccc2)C1=O ZINC000111252852 543389472 /nfs/dbraw/zinc/38/94/72/543389472.db2.gz GKIPCXCEVFJFGJ-FUHWJXTLSA-N 1 2 356.470 2.122 20 30 FEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](CC)[C@@H]1CCN(c2ccccc2)C1=O ZINC000111252852 543389476 /nfs/dbraw/zinc/38/94/76/543389476.db2.gz GKIPCXCEVFJFGJ-FUHWJXTLSA-N 1 2 356.470 2.122 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](C)CCN2CCCC2=O)c1 ZINC000112703829 543458988 /nfs/dbraw/zinc/45/89/88/543458988.db2.gz LXMHGUSPAMPGLH-UHFFFAOYSA-N 1 2 356.470 2.104 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+](C)CCN2CCCC2=O)c1 ZINC000112703829 543458990 /nfs/dbraw/zinc/45/89/90/543458990.db2.gz LXMHGUSPAMPGLH-UHFFFAOYSA-N 1 2 356.470 2.104 20 30 FEEDLO N#C[C@@H]1CN(C(=O)c2ccnc(-n3cc[nH+]c3)c2)CCN1Cc1ccccc1 ZINC000114441359 543516429 /nfs/dbraw/zinc/51/64/29/543516429.db2.gz MJOUNSQYUQBPJA-LJQANCHMSA-N 1 2 372.432 2.117 20 30 FEEDLO COc1cc2c(cc1OC)C[N@H+](CCNC(=O)C1(C#N)CCCC1)CC2 ZINC000114629958 543526504 /nfs/dbraw/zinc/52/65/04/543526504.db2.gz TYUXMGUSLVPPIV-UHFFFAOYSA-N 1 2 357.454 2.262 20 30 FEEDLO COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)C1(C#N)CCCC1)CC2 ZINC000114629958 543526507 /nfs/dbraw/zinc/52/65/07/543526507.db2.gz TYUXMGUSLVPPIV-UHFFFAOYSA-N 1 2 357.454 2.262 20 30 FEEDLO Cc1cccc([C@H](CNC(=O)c2ccc(C#N)nc2)[NH+]2CCOCC2)c1 ZINC000115027636 543549521 /nfs/dbraw/zinc/54/95/21/543549521.db2.gz IJJUAUAAOAFLEZ-IBGZPJMESA-N 1 2 350.422 2.065 20 30 FEEDLO C[C@H]([NH2+][C@@H](C)c1nnnn1-c1ccccc1)C(=O)Nc1ccccc1C#N ZINC000115604740 543578400 /nfs/dbraw/zinc/57/84/00/543578400.db2.gz TVLVGBBHSDGGFO-KBPBESRZSA-N 1 2 361.409 2.212 20 30 FEEDLO C=CC[N@@H+](C)Cc1nc2cc(S(=O)(=O)N(C)C)ccc2n1CCC ZINC000121587892 543697099 /nfs/dbraw/zinc/69/70/99/543697099.db2.gz TUSHSUHJTHRRQD-UHFFFAOYSA-N 1 2 350.488 2.314 20 30 FEEDLO C=CC[N@H+](C)Cc1nc2cc(S(=O)(=O)N(C)C)ccc2n1CCC ZINC000121587892 543697102 /nfs/dbraw/zinc/69/71/02/543697102.db2.gz TUSHSUHJTHRRQD-UHFFFAOYSA-N 1 2 350.488 2.314 20 30 FEEDLO C#CC[N@@H+](Cc1c(C)nn(C)c1N1CCOCC1)Cc1ccc(F)cc1 ZINC000120530669 543681907 /nfs/dbraw/zinc/68/19/07/543681907.db2.gz CIXDBFDRQPFCPP-UHFFFAOYSA-N 1 2 356.445 2.340 20 30 FEEDLO C#CC[N@H+](Cc1c(C)nn(C)c1N1CCOCC1)Cc1ccc(F)cc1 ZINC000120530669 543681910 /nfs/dbraw/zinc/68/19/10/543681910.db2.gz CIXDBFDRQPFCPP-UHFFFAOYSA-N 1 2 356.445 2.340 20 30 FEEDLO C[NH+](C)[C@H](CNS(=O)(=O)c1c(F)cc(C#N)cc1F)c1ccco1 ZINC000124005265 543796089 /nfs/dbraw/zinc/79/60/89/543796089.db2.gz WASKOBJYJVPYOI-CYBMUJFWSA-N 1 2 355.366 2.011 20 30 FEEDLO N#CCNC(=O)CSc1[nH+]cnc2c1cnn2-c1ccc(Cl)cc1 ZINC000126701293 543952207 /nfs/dbraw/zinc/95/22/07/543952207.db2.gz COYUEYSHNKERRN-UHFFFAOYSA-N 1 2 358.814 2.201 20 30 FEEDLO N#CCCN(CCC#N)C(=O)C[N@H+]1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000128519931 544057788 /nfs/dbraw/zinc/05/77/88/544057788.db2.gz UJNLNTLZSHALHC-OAHLLOKOSA-N 1 2 360.845 2.449 20 30 FEEDLO N#CCCN(CCC#N)C(=O)C[N@@H+]1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000128519931 544057790 /nfs/dbraw/zinc/05/77/90/544057790.db2.gz UJNLNTLZSHALHC-OAHLLOKOSA-N 1 2 360.845 2.449 20 30 FEEDLO CN(CCCn1cc[nH+]c1)C(=O)C(=O)Nc1ccccc1SCCC#N ZINC000129926921 544131771 /nfs/dbraw/zinc/13/17/71/544131771.db2.gz VNPGUVFURXCJAK-UHFFFAOYSA-N 1 2 371.466 2.376 20 30 FEEDLO CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000132852020 544245816 /nfs/dbraw/zinc/24/58/16/544245816.db2.gz QDSYMQALGYVSOR-WBVHZDCISA-N 1 2 370.453 2.263 20 30 FEEDLO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000132852020 544245818 /nfs/dbraw/zinc/24/58/18/544245818.db2.gz QDSYMQALGYVSOR-WBVHZDCISA-N 1 2 370.453 2.263 20 30 FEEDLO COc1ccc(C#N)cc1CN1CC[NH+](CC(=O)N2CCCC[C@H]2C)CC1 ZINC000132468236 544232037 /nfs/dbraw/zinc/23/20/37/544232037.db2.gz WUSVYXFTTCEOOU-QGZVFWFLSA-N 1 2 370.497 2.085 20 30 FEEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCOC2(CCOCC2)C1 ZINC000135630785 544357044 /nfs/dbraw/zinc/35/70/44/544357044.db2.gz ADMVHIHXQNCHPV-QGZVFWFLSA-N 1 2 357.454 2.203 20 30 FEEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCOC2(CCOCC2)C1 ZINC000135630785 544357046 /nfs/dbraw/zinc/35/70/46/544357046.db2.gz ADMVHIHXQNCHPV-QGZVFWFLSA-N 1 2 357.454 2.203 20 30 FEEDLO C[C@H]1OCC[N@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)[C@@H]1C ZINC000139371484 544402105 /nfs/dbraw/zinc/40/21/05/544402105.db2.gz GPOIZODTFDNBBE-ZIAGYGMSSA-N 1 2 354.372 2.282 20 30 FEEDLO C[C@H]1OCC[N@@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)[C@@H]1C ZINC000139371484 544402108 /nfs/dbraw/zinc/40/21/08/544402108.db2.gz GPOIZODTFDNBBE-ZIAGYGMSSA-N 1 2 354.372 2.282 20 30 FEEDLO CCOC(=O)c1sc([C@@H](C)[NH2+][C@@H](C)C(=O)N(C)CCC#N)nc1C ZINC000151740915 544574172 /nfs/dbraw/zinc/57/41/72/544574172.db2.gz MWMRGEPRZAPRRM-NEPJUHHUSA-N 1 2 352.460 2.039 20 30 FEEDLO COc1cc2c(cc1OC)C[N@H+](CC(=O)N(CC#N)C1CCCC1)CC2 ZINC000151915994 544595865 /nfs/dbraw/zinc/59/58/65/544595865.db2.gz IIGYDNISUJBOGG-UHFFFAOYSA-N 1 2 357.454 2.357 20 30 FEEDLO COc1cc2c(cc1OC)C[N@@H+](CC(=O)N(CC#N)C1CCCC1)CC2 ZINC000151915994 544595869 /nfs/dbraw/zinc/59/58/69/544595869.db2.gz IIGYDNISUJBOGG-UHFFFAOYSA-N 1 2 357.454 2.357 20 30 FEEDLO C[C@@H](CNC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)Cn1cc[nH+]c1 ZINC000153698692 544810186 /nfs/dbraw/zinc/81/01/86/544810186.db2.gz PMCVLSGPTSIDPR-HNNXBMFYSA-N 1 2 374.466 2.027 20 30 FEEDLO Cc1nc(C#N)c(N2CCC(C(=O)Nc3ccc[nH+]c3N(C)C)CC2)o1 ZINC000187981490 328058074 /nfs/dbraw/zinc/05/80/74/328058074.db2.gz ZSLTWPBZZXNVQV-UHFFFAOYSA-N 1 2 354.414 2.171 20 30 FEEDLO N#Cc1ccc(C(=O)NCc2ccccc2C[NH+]2CCOCC2)cc1O ZINC000189895666 328174633 /nfs/dbraw/zinc/17/46/33/328174633.db2.gz MZMNPZIEGXFUAL-UHFFFAOYSA-N 1 2 351.406 2.026 20 30 FEEDLO Cn1cc(C[NH+]2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)cc1C#N ZINC000191240015 328255824 /nfs/dbraw/zinc/25/58/24/328255824.db2.gz OQHJJNKVWFEWFO-UHFFFAOYSA-N 1 2 361.449 2.265 20 30 FEEDLO N#Cc1ccc(Br)c(CN2CC[C@@H]([NH+]3CCOCC3)C2)c1 ZINC000191795283 328282231 /nfs/dbraw/zinc/28/22/31/328282231.db2.gz ARIKDEUFYWBTGX-OAHLLOKOSA-N 1 2 350.260 2.227 20 30 FEEDLO N#Cc1cnc2ccccc2c1N1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000193037252 328353399 /nfs/dbraw/zinc/35/33/99/328353399.db2.gz SIABZPBKAORLJC-UHFFFAOYSA-N 1 2 360.421 2.111 20 30 FEEDLO N#Cc1cnc2ccccc2c1N1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000193037252 328353400 /nfs/dbraw/zinc/35/34/00/328353400.db2.gz SIABZPBKAORLJC-UHFFFAOYSA-N 1 2 360.421 2.111 20 30 FEEDLO C[C@@H](C(=O)N(C)Cc1ccccc1)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000193773234 328394326 /nfs/dbraw/zinc/39/43/26/328394326.db2.gz OHTVTFFPDIWVAA-KRWDZBQOSA-N 1 2 363.465 2.122 20 30 FEEDLO COc1cccc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@H]2C)c1OC ZINC000091936717 325398758 /nfs/dbraw/zinc/39/87/58/325398758.db2.gz XONZFHASKVWFRB-CQSZACIVSA-N 1 2 353.426 2.076 20 30 FEEDLO COc1cccc(C[N@H+]2CCN(c3nccnc3C#N)C[C@H]2C)c1OC ZINC000091936717 325398759 /nfs/dbraw/zinc/39/87/59/325398759.db2.gz XONZFHASKVWFRB-CQSZACIVSA-N 1 2 353.426 2.076 20 30 FEEDLO C[C@H](C(=O)Nc1ncccn1)[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000104713693 325543087 /nfs/dbraw/zinc/54/30/87/325543087.db2.gz UMPKAXKNSWQTAP-CQSZACIVSA-N 1 2 351.410 2.219 20 30 FEEDLO CCOC(=O)c1c[nH]n(C2CC[NH+](Cc3ccc(C#N)cc3F)CC2)c1=N ZINC000118838770 326106361 /nfs/dbraw/zinc/10/63/61/326106361.db2.gz MGCPZHYHUFOBER-UHFFFAOYSA-N 1 2 371.416 2.320 20 30 FEEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCCN(C(=O)C3CC3)CC2)cc1Cl ZINC000121150711 326317152 /nfs/dbraw/zinc/31/71/52/326317152.db2.gz QHQGUBJTDHCLTD-UHFFFAOYSA-N 1 2 360.845 2.094 20 30 FEEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCCN(C(=O)C3CC3)CC2)cc1Cl ZINC000121150711 326317154 /nfs/dbraw/zinc/31/71/54/326317154.db2.gz QHQGUBJTDHCLTD-UHFFFAOYSA-N 1 2 360.845 2.094 20 30 FEEDLO Cc1cc(C)nc(N2CC[NH+]([C@H](C)C(=O)Nc3cccc(C#N)c3)CC2)n1 ZINC000123096985 326419922 /nfs/dbraw/zinc/41/99/22/326419922.db2.gz UEANGPVWIKPLCC-MRXNPFEDSA-N 1 2 364.453 2.114 20 30 FEEDLO N#Cc1cnc2ccccc2c1N1CC[NH+](C[C@H](O)C(F)(F)F)CC1 ZINC000158187015 326887704 /nfs/dbraw/zinc/88/77/04/326887704.db2.gz HDKDHQZHOAPBOB-HNNXBMFYSA-N 1 2 350.344 2.152 20 30 FEEDLO C[C@@H]1C[C@@H](C)CN(C(=O)C[NH+]2CCN(Cc3ccc(F)c(C#N)c3)CC2)C1 ZINC000160593318 326970854 /nfs/dbraw/zinc/97/08/54/326970854.db2.gz ZHUFZFQZEHLZCU-IAGOWNOFSA-N 1 2 372.488 2.319 20 30 FEEDLO N#Cc1ccc(-c2nnc(CN3CCCC[C@@H]3C[NH+]3CCOCC3)o2)cc1 ZINC000174173732 327310537 /nfs/dbraw/zinc/31/05/37/327310537.db2.gz SUBKOWAJTVHLJX-GOSISDBHSA-N 1 2 367.453 2.295 20 30 FEEDLO Cc1cccc(NC(=O)C(=O)NCc2ccc(N3CCCC3)[nH+]c2)c1C#N ZINC000174622732 327339264 /nfs/dbraw/zinc/33/92/64/327339264.db2.gz LGLMKZOHNJLZMB-UHFFFAOYSA-N 1 2 363.421 2.117 20 30 FEEDLO COCCCOC1CC[NH+]([C@@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000177126879 327499602 /nfs/dbraw/zinc/49/96/02/327499602.db2.gz SPQOTYBNMZSYJF-MRXNPFEDSA-N 1 2 363.483 2.243 20 30 FEEDLO N#Cc1c(F)cccc1N1CCN(c2cc(N3CCCC3)[nH+]cn2)CC1 ZINC000264317175 329009642 /nfs/dbraw/zinc/00/96/42/329009642.db2.gz FSVKFVLNXIVNNV-UHFFFAOYSA-N 1 2 352.417 2.414 20 30 FEEDLO N#Cc1c(F)cccc1N1CCN(c2cc(N3CCCC3)nc[nH+]2)CC1 ZINC000264317175 329009643 /nfs/dbraw/zinc/00/96/43/329009643.db2.gz FSVKFVLNXIVNNV-UHFFFAOYSA-N 1 2 352.417 2.414 20 30 FEEDLO COc1cc(C[NH+]2CCN(c3cccc(C#N)n3)CC2)cc(OC)c1OC ZINC000267301321 329312265 /nfs/dbraw/zinc/31/22/65/329312265.db2.gz UWEAPMHBSOUQCU-UHFFFAOYSA-N 1 2 368.437 2.301 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)N2CC[NH+](C3CCC3)CC2)cc1C(F)(F)F ZINC000267633441 329345071 /nfs/dbraw/zinc/34/50/71/329345071.db2.gz XVOCZFMSTPPQKQ-UHFFFAOYSA-N 1 2 373.400 2.436 20 30 FEEDLO CC(C)[N@H+](CCc1nccs1)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000554736425 674333500 /nfs/dbraw/zinc/33/35/00/674333500.db2.gz BNVQXKBNHKHTLH-UHFFFAOYSA-N 1 2 364.496 2.137 20 30 FEEDLO CC(C)[N@@H+](CCc1nccs1)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000554736425 674333504 /nfs/dbraw/zinc/33/35/04/674333504.db2.gz BNVQXKBNHKHTLH-UHFFFAOYSA-N 1 2 364.496 2.137 20 30 FEEDLO CO[C@@]1(C)C[C@@H]([N@H+](C)CCS(=O)(=O)c2cccc(C#N)c2)C1(C)C ZINC000156809215 545664797 /nfs/dbraw/zinc/66/47/97/545664797.db2.gz MUFLFNKJKHCAMZ-AEFFLSMTSA-N 1 2 350.484 2.467 20 30 FEEDLO CO[C@@]1(C)C[C@@H]([N@@H+](C)CCS(=O)(=O)c2cccc(C#N)c2)C1(C)C ZINC000156809215 545664802 /nfs/dbraw/zinc/66/48/02/545664802.db2.gz MUFLFNKJKHCAMZ-AEFFLSMTSA-N 1 2 350.484 2.467 20 30 FEEDLO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(Cc2cc(F)ccc2C#N)CC1 ZINC000159794630 545980600 /nfs/dbraw/zinc/98/06/00/545980600.db2.gz BJTDEVMCCHHIPW-OAHLLOKOSA-N 1 2 358.461 2.262 20 30 FEEDLO CC(C)(CCC#N)C[NH+]1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000161409033 546127877 /nfs/dbraw/zinc/12/78/77/546127877.db2.gz DNNRVJBYMYBHSB-UHFFFAOYSA-N 1 2 360.483 2.195 20 30 FEEDLO Cn1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CNc2c(C#N)nnc3ccccc32)cn1 ZINC000480218484 561205230 /nfs/dbraw/zinc/20/52/30/561205230.db2.gz ZDCSBZQHVHETQR-GJZGRUSLSA-N 1 2 365.416 2.259 20 30 FEEDLO Cn1cc(C[N@H+]2C[C@@H](F)C[C@H]2CNc2c(C#N)nnc3ccccc32)cn1 ZINC000480218484 561205231 /nfs/dbraw/zinc/20/52/31/561205231.db2.gz ZDCSBZQHVHETQR-GJZGRUSLSA-N 1 2 365.416 2.259 20 30 FEEDLO CCc1nnc(NC[C@@H]2C[C@H](F)C[N@@H+]2Cc2cnn(C)c2)c(C#N)c1CC ZINC000480250548 561205755 /nfs/dbraw/zinc/20/57/55/561205755.db2.gz RPIOIXZRSOTDMA-GJZGRUSLSA-N 1 2 371.464 2.231 20 30 FEEDLO CCc1nnc(NC[C@@H]2C[C@H](F)C[N@H+]2Cc2cnn(C)c2)c(C#N)c1CC ZINC000480250548 561205756 /nfs/dbraw/zinc/20/57/56/561205756.db2.gz RPIOIXZRSOTDMA-GJZGRUSLSA-N 1 2 371.464 2.231 20 30 FEEDLO Cc1cn2c([nH+]1)[C@@H](CNS(=O)(=O)Cc1ccc(C#N)cc1F)CCC2 ZINC000480701668 561214759 /nfs/dbraw/zinc/21/47/59/561214759.db2.gz GNFVXFYZIYXFJR-CQSZACIVSA-N 1 2 362.430 2.199 20 30 FEEDLO CCc1oc(C(=O)OC)cc1C[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000176996550 546521017 /nfs/dbraw/zinc/52/10/17/546521017.db2.gz RCMFOEZERZDEBM-UHFFFAOYSA-N 1 2 354.410 2.217 20 30 FEEDLO C[C@@H]1CCN(S(=O)(=O)Cc2ccc(C#N)cc2F)C[C@H]1n1cc[nH+]c1 ZINC000480676060 561214176 /nfs/dbraw/zinc/21/41/76/561214176.db2.gz ASGSGDVSQRLJRY-CXAGYDPISA-N 1 2 362.430 2.307 20 30 FEEDLO Cn1cc[nH+]c1CN1CCN(Cc2ccc(C#N)cc2Br)CC1 ZINC000481115129 561225631 /nfs/dbraw/zinc/22/56/31/561225631.db2.gz VHENRTADSLSLED-UHFFFAOYSA-N 1 2 374.286 2.372 20 30 FEEDLO C=CCn1c(=O)c2ccc(C(=O)N3CCC([C@H](C)[NH3+])CC3)cc2[nH]c1=S ZINC000178837928 546859612 /nfs/dbraw/zinc/85/96/12/546859612.db2.gz CJQIIGHAXQCHOL-LBPRGKRZSA-N 1 2 372.494 2.071 20 30 FEEDLO COc1cccc(OCC[NH+]2CCN(C(=O)c3ccc(C#N)s3)CC2)c1 ZINC000482068604 561247993 /nfs/dbraw/zinc/24/79/93/561247993.db2.gz STXVFZMLXDGKDS-UHFFFAOYSA-N 1 2 371.462 2.465 20 30 FEEDLO C=CCOC[C@H]([NH2+][C@H]1CCc2[nH]c3ccc(OC)cc3c2C1)C(=O)OC ZINC000482452117 561254190 /nfs/dbraw/zinc/25/41/90/561254190.db2.gz JZUZIGPEVPPIAT-DJJJIMSYSA-N 1 2 358.438 2.368 20 30 FEEDLO CCOC(=O)CC[N@H+](CC(=O)Nc1sccc1C#N)Cc1cccnc1 ZINC000180593491 547138580 /nfs/dbraw/zinc/13/85/80/547138580.db2.gz MTAYUPSPBPPGAN-UHFFFAOYSA-N 1 2 372.450 2.409 20 30 FEEDLO CCOC(=O)CC[N@@H+](CC(=O)Nc1sccc1C#N)Cc1cccnc1 ZINC000180593491 547138585 /nfs/dbraw/zinc/13/85/85/547138585.db2.gz MTAYUPSPBPPGAN-UHFFFAOYSA-N 1 2 372.450 2.409 20 30 FEEDLO Cc1cccc(CC2(O)CC[NH+]([C@@H](C(N)=O)c3ccc(C#N)cc3)CC2)c1 ZINC000482949181 561263714 /nfs/dbraw/zinc/26/37/14/561263714.db2.gz OUABWJBPEQXCGG-HXUWFJFHSA-N 1 2 363.461 2.463 20 30 FEEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+](C)C[C@H](O)C(F)(F)F ZINC000181249508 547280495 /nfs/dbraw/zinc/28/04/95/547280495.db2.gz HIDWSGKNGADWDN-PELKAZGASA-N 1 2 361.389 2.290 20 30 FEEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+](C)C[C@H](O)C(F)(F)F ZINC000181249508 547280499 /nfs/dbraw/zinc/28/04/99/547280499.db2.gz HIDWSGKNGADWDN-PELKAZGASA-N 1 2 361.389 2.290 20 30 FEEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+](C)C[C@H](O)C(F)(F)F)c1C ZINC000181295577 547287846 /nfs/dbraw/zinc/28/78/46/547287846.db2.gz HQWBIIDJSBQCTN-HNNXBMFYSA-N 1 2 357.376 2.405 20 30 FEEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+](C)C[C@H](O)C(F)(F)F)c1C ZINC000181295577 547287849 /nfs/dbraw/zinc/28/78/49/547287849.db2.gz HQWBIIDJSBQCTN-HNNXBMFYSA-N 1 2 357.376 2.405 20 30 FEEDLO Cn1cc(C[NH+]2CCN(C(=O)COc3ccc(Cl)cc3)CC2)cc1C#N ZINC000483268507 561272415 /nfs/dbraw/zinc/27/24/15/561272415.db2.gz JYJZOTGORJJSRV-UHFFFAOYSA-N 1 2 372.856 2.273 20 30 FEEDLO C=CCCC[C@@H](C)NC(=O)N1CC[NH+](CC(=O)N2CCCC[C@H]2C)CC1 ZINC000181424562 547313239 /nfs/dbraw/zinc/31/32/39/547313239.db2.gz WKZMGCJFOZMPBT-QZTJIDSGSA-N 1 2 364.534 2.459 20 30 FEEDLO N#C[C@@H](c1cccs1)N1CCN(C(=O)C[NH+]2Cc3ccccc3C2)CC1 ZINC000182766316 547548695 /nfs/dbraw/zinc/54/86/95/547548695.db2.gz IYANNPIMGGVNRK-SFHVURJKSA-N 1 2 366.490 2.473 20 30 FEEDLO C[C@H](C#N)CNC(=O)N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000182860939 547562606 /nfs/dbraw/zinc/56/26/06/547562606.db2.gz FYRGTACPAPZAGS-CQSZACIVSA-N 1 2 350.850 2.206 20 30 FEEDLO N#CC1(c2ccc(C(=O)NCc3cc[nH+]c(N4CCOCC4)c3)cc2)CC1 ZINC000182859175 547562671 /nfs/dbraw/zinc/56/26/71/547562671.db2.gz NEVRKDZJYLTFOS-UHFFFAOYSA-N 1 2 362.433 2.403 20 30 FEEDLO COc1cccc([C@H](C)[NH+]2CCN(S(=O)(=O)CC3(C#N)CC3)CC2)c1 ZINC000183880391 547732801 /nfs/dbraw/zinc/73/28/01/547732801.db2.gz ZXWCXKRRHBIXAT-HNNXBMFYSA-N 1 2 363.483 2.007 20 30 FEEDLO CC[N@H+](C[C@H]1COc2ccccc2O1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000485051587 561311369 /nfs/dbraw/zinc/31/13/69/561311369.db2.gz RKGKXUIUSGYODP-QFBILLFUSA-N 1 2 351.406 2.247 20 30 FEEDLO CC[N@@H+](C[C@H]1COc2ccccc2O1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000485051587 561311370 /nfs/dbraw/zinc/31/13/70/561311370.db2.gz RKGKXUIUSGYODP-QFBILLFUSA-N 1 2 351.406 2.247 20 30 FEEDLO COCCO[C@@H]1CC[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000189666392 548308259 /nfs/dbraw/zinc/30/82/59/548308259.db2.gz VQQUDDZKOKIXAX-MRXNPFEDSA-N 1 2 355.438 2.475 20 30 FEEDLO COCCO[C@@H]1CC[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000189666392 548308261 /nfs/dbraw/zinc/30/82/61/548308261.db2.gz VQQUDDZKOKIXAX-MRXNPFEDSA-N 1 2 355.438 2.475 20 30 FEEDLO C=C(C)CS(=O)(=O)N[C@H](CC)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000189728088 548309418 /nfs/dbraw/zinc/30/94/18/548309418.db2.gz FMRWVBRYGQZWSQ-QZTJIDSGSA-N 1 2 352.500 2.162 20 30 FEEDLO C=C(C)CS(=O)(=O)N[C@H](CC)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000189728088 548309424 /nfs/dbraw/zinc/30/94/24/548309424.db2.gz FMRWVBRYGQZWSQ-QZTJIDSGSA-N 1 2 352.500 2.162 20 30 FEEDLO C=CCN(CCOC)C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1 ZINC000190917702 548335903 /nfs/dbraw/zinc/33/59/03/548335903.db2.gz RXOVPHQEKYJWPS-HZPDHXFCSA-N 1 2 362.474 2.039 20 30 FEEDLO C=CCC1(C(=O)NCc2ccc[nH+]c2N2CCC(C(N)=O)CC2)CCC1 ZINC000191264569 548342593 /nfs/dbraw/zinc/34/25/93/548342593.db2.gz GHVFZPQKNXMJSL-UHFFFAOYSA-N 1 2 356.470 2.146 20 30 FEEDLO C=CCNC(=O)C[NH+]1CCN(CCc2cc(Cl)ccc2Cl)CC1 ZINC000486812284 561357349 /nfs/dbraw/zinc/35/73/49/561357349.db2.gz ZBSCQNVJUVTARQ-UHFFFAOYSA-N 1 2 356.297 2.456 20 30 FEEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+](C)CCN2C[C@@H](C)O[C@@H](C)C2)c(C#N)c1C ZINC000195321273 548621801 /nfs/dbraw/zinc/62/18/01/548621801.db2.gz SEVKPIFBTJLVCV-VNHYZAJKSA-N 1 2 362.474 2.136 20 30 FEEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+](C)CCN2C[C@@H](C)O[C@@H](C)C2)c(C#N)c1C ZINC000195321273 548621804 /nfs/dbraw/zinc/62/18/04/548621804.db2.gz SEVKPIFBTJLVCV-VNHYZAJKSA-N 1 2 362.474 2.136 20 30 FEEDLO COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000226881776 548750839 /nfs/dbraw/zinc/75/08/39/548750839.db2.gz RPPZRSBJYILLDS-IKGGRYGDSA-N 1 2 361.486 2.477 20 30 FEEDLO COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000226881776 548750841 /nfs/dbraw/zinc/75/08/41/548750841.db2.gz RPPZRSBJYILLDS-IKGGRYGDSA-N 1 2 361.486 2.477 20 30 FEEDLO Cc1cc(N2CCN(c3nccnc3C#N)C[C@H]2C)nc(-c2ccncc2)[nH+]1 ZINC000246786737 549211653 /nfs/dbraw/zinc/21/16/53/549211653.db2.gz CPSFLTKGMNKJSI-OAHLLOKOSA-N 1 2 372.436 2.224 20 30 FEEDLO C[C@H](C#N)CNC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000248462187 549444821 /nfs/dbraw/zinc/44/48/21/549444821.db2.gz YCFUYXPAFCWCAK-DAXOMENPSA-N 1 2 350.850 2.171 20 30 FEEDLO C[C@H](C#N)CNC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000248462187 549444823 /nfs/dbraw/zinc/44/48/23/549444823.db2.gz YCFUYXPAFCWCAK-DAXOMENPSA-N 1 2 350.850 2.171 20 30 FEEDLO C[N@@H+]1CCO[C@H]([C@@H](NC(=O)c2ccnc(C#N)c2)c2ccc(Cl)cc2)C1 ZINC000248814429 549505247 /nfs/dbraw/zinc/50/52/47/549505247.db2.gz ABIKEYNFPSFQQC-ROUUACIJSA-N 1 2 370.840 2.408 20 30 FEEDLO C[N@H+]1CCO[C@H]([C@@H](NC(=O)c2ccnc(C#N)c2)c2ccc(Cl)cc2)C1 ZINC000248814429 549505250 /nfs/dbraw/zinc/50/52/50/549505250.db2.gz ABIKEYNFPSFQQC-ROUUACIJSA-N 1 2 370.840 2.408 20 30 FEEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CC[C@H](C)C[C@H]2C(N)=O)c1C ZINC000249554134 549604154 /nfs/dbraw/zinc/60/41/54/549604154.db2.gz JBXPTWYMIICECF-KSSFIOAISA-N 1 2 356.470 2.136 20 30 FEEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H](C)C[C@H]2C(N)=O)c1C ZINC000249554134 549604158 /nfs/dbraw/zinc/60/41/58/549604158.db2.gz JBXPTWYMIICECF-KSSFIOAISA-N 1 2 356.470 2.136 20 30 FEEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CC[C@@H](O)[C@@H](C)C2)c1C#N ZINC000249554241 549604217 /nfs/dbraw/zinc/60/42/17/549604217.db2.gz JDXNJHQBOLNOLR-SCLBCKFNSA-N 1 2 370.453 2.259 20 30 FEEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CC[C@@H](O)[C@@H](C)C2)c1C#N ZINC000249554241 549604221 /nfs/dbraw/zinc/60/42/21/549604221.db2.gz JDXNJHQBOLNOLR-SCLBCKFNSA-N 1 2 370.453 2.259 20 30 FEEDLO COCC[N@H+](CC(=O)N(CCC#N)c1cccc(C)c1C)[C@H]1CCOC1 ZINC000490038713 561425117 /nfs/dbraw/zinc/42/51/17/561425117.db2.gz KVCOFFRGFZPSHV-SFHVURJKSA-N 1 2 359.470 2.287 20 30 FEEDLO COCC[N@@H+](CC(=O)N(CCC#N)c1cccc(C)c1C)[C@H]1CCOC1 ZINC000490038713 561425118 /nfs/dbraw/zinc/42/51/18/561425118.db2.gz KVCOFFRGFZPSHV-SFHVURJKSA-N 1 2 359.470 2.287 20 30 FEEDLO COc1ccccc1[C@H]1C[NH2+]CCN1S(=O)(=O)c1cccc(C)c1C#N ZINC000261706881 549746259 /nfs/dbraw/zinc/74/62/59/549746259.db2.gz JQBZGUAAARANQR-QGZVFWFLSA-N 1 2 371.462 2.211 20 30 FEEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CCC[C@H]1c1cccc2c1OCCO2)C1CC1 ZINC000263898205 549952554 /nfs/dbraw/zinc/95/25/54/549952554.db2.gz YHKWKJMGYPPSPW-JXFKEZNVSA-N 1 2 355.438 2.403 20 30 FEEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CCC[C@H]1c1cccc2c1OCCO2)C1CC1 ZINC000263898205 549952556 /nfs/dbraw/zinc/95/25/56/549952556.db2.gz YHKWKJMGYPPSPW-JXFKEZNVSA-N 1 2 355.438 2.403 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000264122275 549982261 /nfs/dbraw/zinc/98/22/61/549982261.db2.gz MIWIXAWXLVNFST-HXUWFJFHSA-N 1 2 354.454 2.456 20 30 FEEDLO COc1ccc(C(N)=[NH+]OCc2cccc(C(=O)N(C)C)c2)cc1OC ZINC000264376311 549995040 /nfs/dbraw/zinc/99/50/40/549995040.db2.gz NATAVTOPFLMDCV-UHFFFAOYSA-N 1 2 357.410 2.243 20 30 FEEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000264584792 549998258 /nfs/dbraw/zinc/99/82/58/549998258.db2.gz YTQQQDHGBPGQEH-KGLIPLIRSA-N 1 2 371.466 2.278 20 30 FEEDLO CCOCc1ccc(CNC(=O)CO[NH+]=C(N)c2cccc(OC)c2)cc1 ZINC000268558787 550087164 /nfs/dbraw/zinc/08/71/64/550087164.db2.gz GHHSMTPMUNWIOB-UHFFFAOYSA-N 1 2 371.437 2.185 20 30 FEEDLO CN(CCCn1cc[nH+]c1)C(=O)CCC(=O)N(CCC#N)c1ccccc1 ZINC000268982540 550140756 /nfs/dbraw/zinc/14/07/56/550140756.db2.gz KBWMIADYHYVCSQ-UHFFFAOYSA-N 1 2 367.453 2.459 20 30 FEEDLO COc1ccc([C@@H](CO)[N@H+](C)CC(=O)Nc2oc(C)c(C)c2C#N)cc1 ZINC000269456025 550197796 /nfs/dbraw/zinc/19/77/96/550197796.db2.gz QVWNOBKNAGNANC-QGZVFWFLSA-N 1 2 357.410 2.381 20 30 FEEDLO COc1ccc([C@@H](CO)[N@@H+](C)CC(=O)Nc2oc(C)c(C)c2C#N)cc1 ZINC000269456025 550197798 /nfs/dbraw/zinc/19/77/98/550197798.db2.gz QVWNOBKNAGNANC-QGZVFWFLSA-N 1 2 357.410 2.381 20 30 FEEDLO CO[C@H](C)c1noc(CN2CCC[N@H+](CC#Cc3ccc(F)cc3)CC2)n1 ZINC000269600083 550209566 /nfs/dbraw/zinc/20/95/66/550209566.db2.gz KSKAXDWFUNPMSF-MRXNPFEDSA-N 1 2 372.444 2.476 20 30 FEEDLO CO[C@H](C)c1noc(CN2CCC[N@@H+](CC#Cc3ccc(F)cc3)CC2)n1 ZINC000269600083 550209567 /nfs/dbraw/zinc/20/95/67/550209567.db2.gz KSKAXDWFUNPMSF-MRXNPFEDSA-N 1 2 372.444 2.476 20 30 FEEDLO COc1ccc(NC(=O)[C@@H](C)O[NH+]=C(N)c2ccc3c(c2)CCO3)cc1 ZINC000269860694 550231685 /nfs/dbraw/zinc/23/16/85/550231685.db2.gz IWMVBGWBQBLGQM-GFCCVEGCSA-N 1 2 355.394 2.294 20 30 FEEDLO N#Cc1ccc(N2CCC[C@@H]([NH2+][C@H](C(N)=O)c3ccc(F)cc3)C2=O)cc1 ZINC000272425697 550446768 /nfs/dbraw/zinc/44/67/68/550446768.db2.gz IRPSKCCHUGLCHL-MSOLQXFVSA-N 1 2 366.396 2.009 20 30 FEEDLO C[C@H]1CN(c2ccc(CNC(=O)N3CCC(C)(C#N)CC3)c[nH+]2)CCO1 ZINC000272469067 550450850 /nfs/dbraw/zinc/45/08/50/550450850.db2.gz WRFDXAXJFILTEV-HNNXBMFYSA-N 1 2 357.458 2.142 20 30 FEEDLO COc1ccccc1-c1noc([C@@H](C)[NH2+]CC(=O)N[C@@](C)(C#N)C(C)C)n1 ZINC000273425642 550498231 /nfs/dbraw/zinc/49/82/31/550498231.db2.gz WKJDUUXEFFMPTL-YJYMSZOUSA-N 1 2 371.441 2.450 20 30 FEEDLO Cn1cc[nH+]c1[C@@H](NS(=O)(=O)CC1(C#N)CC1)c1ccc(Cl)cc1 ZINC000274148923 550525235 /nfs/dbraw/zinc/52/52/35/550525235.db2.gz CBIWVUIBPQPMFA-AWEZNQCLSA-N 1 2 364.858 2.386 20 30 FEEDLO C[NH+](C)C1(C#N)CCN(C(=O)N[C@@H]2CCCN(c3cccc(F)c3)C2)CC1 ZINC000274894224 550562999 /nfs/dbraw/zinc/56/29/99/550562999.db2.gz BQXJRWPTIPGDRT-QGZVFWFLSA-N 1 2 373.476 2.424 20 30 FEEDLO C=CC[NH+](CC=C)[C@H](CNC(=O)c1cn[nH]c1-c1cnn(C)c1)C(C)C ZINC000275498684 550572609 /nfs/dbraw/zinc/57/26/09/550572609.db2.gz LEVWWAQJNXLDIV-QGZVFWFLSA-N 1 2 356.474 2.239 20 30 FEEDLO CCN(CCC#N)C(=O)C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000275750675 550574070 /nfs/dbraw/zinc/57/40/70/550574070.db2.gz SOEFQMOQUNENGD-UHFFFAOYSA-N 1 2 353.426 2.463 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3c[nH]nc3-c3ccoc3)CC2)cc1 ZINC000278906647 550834475 /nfs/dbraw/zinc/83/44/75/550834475.db2.gz GHIVNIGDCUNNME-UHFFFAOYSA-N 1 2 361.405 2.499 20 30 FEEDLO C#CCn1ccc(C[N@@H+](CC)Cc2cc(=O)n3cc(Cl)ccc3n2)n1 ZINC000279822844 550932651 /nfs/dbraw/zinc/93/26/51/550932651.db2.gz YVALZNVOUONPIU-UHFFFAOYSA-N 1 2 355.829 2.200 20 30 FEEDLO C#CCn1ccc(C[N@H+](CC)Cc2cc(=O)n3cc(Cl)ccc3n2)n1 ZINC000279822844 550932652 /nfs/dbraw/zinc/93/26/52/550932652.db2.gz YVALZNVOUONPIU-UHFFFAOYSA-N 1 2 355.829 2.200 20 30 FEEDLO C=C(C)CN(Cc1ccccc1)S(=O)(=O)CCC[NH+]1CCOCC1 ZINC000280143611 550964971 /nfs/dbraw/zinc/96/49/71/550964971.db2.gz BYSVXNYRXMKHNU-UHFFFAOYSA-N 1 2 352.500 2.117 20 30 FEEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000280318394 550980129 /nfs/dbraw/zinc/98/01/29/550980129.db2.gz GXAAVTVSIPRJEN-VFVRVIDISA-N 1 2 363.845 2.418 20 30 FEEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000280318394 550980131 /nfs/dbraw/zinc/98/01/31/550980131.db2.gz GXAAVTVSIPRJEN-VFVRVIDISA-N 1 2 363.845 2.418 20 30 FEEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2C[C@H](C)O[C@@]3(CCOC3)C2)c1C ZINC000280326426 550981193 /nfs/dbraw/zinc/98/11/93/550981193.db2.gz HHEMOODCSBMRJR-UWJYYQICSA-N 1 2 371.481 2.430 20 30 FEEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2C[C@H](C)O[C@@]3(CCOC3)C2)c1C ZINC000280326426 550981194 /nfs/dbraw/zinc/98/11/94/550981194.db2.gz HHEMOODCSBMRJR-UWJYYQICSA-N 1 2 371.481 2.430 20 30 FEEDLO C=C(C)CN(CC)C(=O)C[NH2+][C@H](c1ccc(C)cc1)[C@@H](C)S(C)(=O)=O ZINC000280896498 551043386 /nfs/dbraw/zinc/04/33/86/551043386.db2.gz QRIWFYRTJZSQMB-APWZRJJASA-N 1 2 366.527 2.483 20 30 FEEDLO C=CCSc1ccccc1NC(=O)C[NH+]1CCC(c2nc(=O)[nH][nH]2)CC1 ZINC000280966418 551050353 /nfs/dbraw/zinc/05/03/53/551050353.db2.gz KCLMCBKXXRZLJJ-UHFFFAOYSA-N 1 2 373.482 2.194 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C(=O)N(CCC#N)c2ccccc2)C1=O ZINC000281358305 551088138 /nfs/dbraw/zinc/08/81/38/551088138.db2.gz NPRMNWDJEQKNAM-AEFFLSMTSA-N 1 2 354.454 2.040 20 30 FEEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)C(=O)N(CCC#N)c2ccccc2)C1=O ZINC000281358305 551088140 /nfs/dbraw/zinc/08/81/40/551088140.db2.gz NPRMNWDJEQKNAM-AEFFLSMTSA-N 1 2 354.454 2.040 20 30 FEEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C1=O ZINC000281407872 551093473 /nfs/dbraw/zinc/09/34/73/551093473.db2.gz QXROJKVTXLBOKC-IEBWSBKVSA-N 1 2 368.481 2.349 20 30 FEEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C1=O ZINC000281407872 551093475 /nfs/dbraw/zinc/09/34/75/551093475.db2.gz QXROJKVTXLBOKC-IEBWSBKVSA-N 1 2 368.481 2.349 20 30 FEEDLO C=CCn1c(=O)c2ccc(C(=O)N3CCC[C@@H](CC[NH3+])C3)cc2[nH]c1=S ZINC000282105768 551181394 /nfs/dbraw/zinc/18/13/94/551181394.db2.gz ZTDBVFUHZYBVAO-ZDUSSCGKSA-N 1 2 372.494 2.072 20 30 FEEDLO C=C(C)Cn1c([C@@H](C)CC)nnc1N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000282843142 551276672 /nfs/dbraw/zinc/27/66/72/551276672.db2.gz KWQYEKHSCRDXJA-KRWDZBQOSA-N 1 2 374.533 2.112 20 30 FEEDLO Cc1nn(CCC#N)c(C)c1CCC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000497833275 561509638 /nfs/dbraw/zinc/50/96/38/561509638.db2.gz GAPIYLRLCMZPOC-UHFFFAOYSA-N 1 2 364.453 2.353 20 30 FEEDLO C=CCn1c(=O)c2ccc(C(=O)N(CCC)[C@H]3CC[NH2+]C3)cc2[nH]c1=S ZINC000285653292 551789940 /nfs/dbraw/zinc/78/99/40/551789940.db2.gz HAPHDRMKAOCGNY-AWEZNQCLSA-N 1 2 372.494 2.085 20 30 FEEDLO CCOc1ccc(NC(=O)C[NH+]2CCN(c3ccnc(C#N)c3)CC2)cc1 ZINC000286190180 551859251 /nfs/dbraw/zinc/85/92/51/551859251.db2.gz LNUXWILSIYKSNG-UHFFFAOYSA-N 1 2 365.437 2.113 20 30 FEEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000286488254 551891663 /nfs/dbraw/zinc/89/16/63/551891663.db2.gz LRXBXOVWRXEGIU-BNOWGMLFSA-N 1 2 355.360 2.378 20 30 FEEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000286488254 551891664 /nfs/dbraw/zinc/89/16/64/551891664.db2.gz LRXBXOVWRXEGIU-BNOWGMLFSA-N 1 2 355.360 2.378 20 30 FEEDLO Cc1[nH+]c2ccccc2n1C[C@H]1CCCN1C(=O)C(=O)NCCCCC#N ZINC000286845080 551932704 /nfs/dbraw/zinc/93/27/04/551932704.db2.gz ZWADYWSGYNGYMA-MRXNPFEDSA-N 1 2 367.453 2.146 20 30 FEEDLO CCOc1ccc(C#N)cc1NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000287183258 551974032 /nfs/dbraw/zinc/97/40/32/551974032.db2.gz XZEKVKYMGKGVQF-GDBMZVCRSA-N 1 2 358.442 2.284 20 30 FEEDLO C#CCOc1cc(F)ccc1NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000287191642 551974877 /nfs/dbraw/zinc/97/48/77/551974877.db2.gz QANBMNYONNKJPE-GDBMZVCRSA-N 1 2 361.417 2.165 20 30 FEEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)NCC2(c3ccccc3)CCCC2)C1=O ZINC000500001887 561563886 /nfs/dbraw/zinc/56/38/86/561563886.db2.gz RHHRFRVEKAIZTJ-IBGZPJMESA-N 1 2 369.509 2.333 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)NCC2(c3ccccc3)CCCC2)C1=O ZINC000500001887 561563887 /nfs/dbraw/zinc/56/38/87/561563887.db2.gz RHHRFRVEKAIZTJ-IBGZPJMESA-N 1 2 369.509 2.333 20 30 FEEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)NCCOc2ccc(C(C)C)cc2)C1=O ZINC000500009410 561564054 /nfs/dbraw/zinc/56/40/54/561564054.db2.gz CZRBMZUVCOAFBM-LJQANCHMSA-N 1 2 373.497 2.024 20 30 FEEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)NCCOc2ccc(C(C)C)cc2)C1=O ZINC000500009410 561564055 /nfs/dbraw/zinc/56/40/55/561564055.db2.gz CZRBMZUVCOAFBM-LJQANCHMSA-N 1 2 373.497 2.024 20 30 FEEDLO Cc1cnn(C)c1C[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000289098563 552265760 /nfs/dbraw/zinc/26/57/60/552265760.db2.gz LWRMJNASYSUBFC-UHFFFAOYSA-N 1 2 352.398 2.170 20 30 FEEDLO C=CCCCN(C)C(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000289513298 552333711 /nfs/dbraw/zinc/33/37/11/552333711.db2.gz CLFSTJMTPKGXIB-IAGOWNOFSA-N 1 2 365.424 2.251 20 30 FEEDLO C=CCCCN(C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000289513298 552333713 /nfs/dbraw/zinc/33/37/13/552333713.db2.gz CLFSTJMTPKGXIB-IAGOWNOFSA-N 1 2 365.424 2.251 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@H](Nc3ccccc3)C2)nc1 ZINC000289860279 552390523 /nfs/dbraw/zinc/39/05/23/552390523.db2.gz LATHPKQQIUKDRZ-SFHVURJKSA-N 1 2 370.478 2.303 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@H](Nc3ccccc3)C2)nc1 ZINC000289860279 552390525 /nfs/dbraw/zinc/39/05/25/552390525.db2.gz LATHPKQQIUKDRZ-SFHVURJKSA-N 1 2 370.478 2.303 20 30 FEEDLO COc1ccc([C@H]2CC[N@H+](CCS(=O)(=O)c3ccc(C#N)cn3)C2)cc1 ZINC000290174758 552438189 /nfs/dbraw/zinc/43/81/89/552438189.db2.gz DZSGZOZFLIFGNT-KRWDZBQOSA-N 1 2 371.462 2.225 20 30 FEEDLO COc1ccc([C@H]2CC[N@@H+](CCS(=O)(=O)c3ccc(C#N)cn3)C2)cc1 ZINC000290174758 552438191 /nfs/dbraw/zinc/43/81/91/552438191.db2.gz DZSGZOZFLIFGNT-KRWDZBQOSA-N 1 2 371.462 2.225 20 30 FEEDLO C[NH+](C)C1(C#N)CCN(C(=O)NC[C@]2(C)OCCc3sccc32)CC1 ZINC000291305613 552612714 /nfs/dbraw/zinc/61/27/14/552612714.db2.gz UMNJHITUKXFCIG-KRWDZBQOSA-N 1 2 362.499 2.165 20 30 FEEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000291638772 552646496 /nfs/dbraw/zinc/64/64/96/552646496.db2.gz DQLXZWQCTJTPJK-JQWIXIFHSA-N 1 2 357.788 2.488 20 30 FEEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000291638772 552646498 /nfs/dbraw/zinc/64/64/98/552646498.db2.gz DQLXZWQCTJTPJK-JQWIXIFHSA-N 1 2 357.788 2.488 20 30 FEEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](CCCS(=O)(=O)c3ccccc3)C2)nc1 ZINC000292104250 552694274 /nfs/dbraw/zinc/69/42/74/552694274.db2.gz GPOCYYDEKFCMKW-QGZVFWFLSA-N 1 2 371.462 2.270 20 30 FEEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](CCCS(=O)(=O)c3ccccc3)C2)nc1 ZINC000292104250 552694275 /nfs/dbraw/zinc/69/42/75/552694275.db2.gz GPOCYYDEKFCMKW-QGZVFWFLSA-N 1 2 371.462 2.270 20 30 FEEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](CS(C)(=O)=O)C1 ZINC000292117443 552695452 /nfs/dbraw/zinc/69/54/52/552695452.db2.gz GIVHRUWCFVGPLO-HUUCEWRRSA-N 1 2 370.540 2.018 20 30 FEEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CC[C@@H](CS(C)(=O)=O)C1 ZINC000292117443 552695453 /nfs/dbraw/zinc/69/54/53/552695453.db2.gz GIVHRUWCFVGPLO-HUUCEWRRSA-N 1 2 370.540 2.018 20 30 FEEDLO CC(=O)c1ccccc1NC(=O)C[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292145884 552698371 /nfs/dbraw/zinc/69/83/71/552698371.db2.gz JVUSMBXLXPCZLD-INIZCTEOSA-N 1 2 364.405 2.248 20 30 FEEDLO CC(=O)c1ccccc1NC(=O)C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292145884 552698372 /nfs/dbraw/zinc/69/83/72/552698372.db2.gz JVUSMBXLXPCZLD-INIZCTEOSA-N 1 2 364.405 2.248 20 30 FEEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292312368 552714743 /nfs/dbraw/zinc/71/47/43/552714743.db2.gz VKWYBDKDNZUKFM-KDOFPFPSSA-N 1 2 361.405 2.305 20 30 FEEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292312368 552714744 /nfs/dbraw/zinc/71/47/44/552714744.db2.gz VKWYBDKDNZUKFM-KDOFPFPSSA-N 1 2 361.405 2.305 20 30 FEEDLO Cc1oc(NC(=O)C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c(C#N)c1C ZINC000292347884 552718351 /nfs/dbraw/zinc/71/83/51/552718351.db2.gz XHDQXQUTNDSBPQ-HNNXBMFYSA-N 1 2 365.393 2.127 20 30 FEEDLO Cc1oc(NC(=O)C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c(C#N)c1C ZINC000292347884 552718352 /nfs/dbraw/zinc/71/83/52/552718352.db2.gz XHDQXQUTNDSBPQ-HNNXBMFYSA-N 1 2 365.393 2.127 20 30 FEEDLO CCN(C(C)=O)c1nc(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cs1 ZINC000292354042 552718879 /nfs/dbraw/zinc/71/88/79/552718879.db2.gz XNWLOLHNPWHBFB-MRXNPFEDSA-N 1 2 371.466 2.436 20 30 FEEDLO CCN(C(C)=O)c1nc(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cs1 ZINC000292354042 552718880 /nfs/dbraw/zinc/71/88/80/552718880.db2.gz XNWLOLHNPWHBFB-MRXNPFEDSA-N 1 2 371.466 2.436 20 30 FEEDLO CC(C)[C@]1(CO)CCC[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000292916505 552770865 /nfs/dbraw/zinc/77/08/65/552770865.db2.gz BMFZICURTJXJSB-GOSISDBHSA-N 1 2 350.484 2.062 20 30 FEEDLO CC(C)[C@]1(CO)CCC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000292916505 552770867 /nfs/dbraw/zinc/77/08/67/552770867.db2.gz BMFZICURTJXJSB-GOSISDBHSA-N 1 2 350.484 2.062 20 30 FEEDLO N#C[C@@H]1CC[C@H]([NH+]2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)C1 ZINC000292952110 552774029 /nfs/dbraw/zinc/77/40/29/552774029.db2.gz BQMIOIJGKDZKHB-HIFRSBDPSA-N 1 2 353.875 2.339 20 30 FEEDLO CC#CCN(C)C(=O)C(=O)Nc1cccc(C[N@H+](C)Cc2cscn2)c1 ZINC000293301191 552809261 /nfs/dbraw/zinc/80/92/61/552809261.db2.gz DNCISFTZQYQBMJ-UHFFFAOYSA-N 1 2 370.478 2.195 20 30 FEEDLO CC#CCN(C)C(=O)C(=O)Nc1cccc(C[N@@H+](C)Cc2cscn2)c1 ZINC000293301191 552809263 /nfs/dbraw/zinc/80/92/63/552809263.db2.gz DNCISFTZQYQBMJ-UHFFFAOYSA-N 1 2 370.478 2.195 20 30 FEEDLO C=CCOc1c(Br)cc(C[N@H+]2CCOC[C@@H](O)C2)cc1OC ZINC000294821509 552936676 /nfs/dbraw/zinc/93/66/76/552936676.db2.gz OYXNXPRNDRFDMP-ZDUSSCGKSA-N 1 2 372.259 2.216 20 30 FEEDLO C=CCOc1c(Br)cc(C[N@@H+]2CCOC[C@@H](O)C2)cc1OC ZINC000294821509 552936674 /nfs/dbraw/zinc/93/66/74/552936674.db2.gz OYXNXPRNDRFDMP-ZDUSSCGKSA-N 1 2 372.259 2.216 20 30 FEEDLO Cn1cc[nH+]c1[C@H]1N(CCS(=O)(=O)c2ccc(C#N)cc2)CC1(C)C ZINC000295946225 553079653 /nfs/dbraw/zinc/07/96/53/553079653.db2.gz OMNNJLJREXZHNV-MRXNPFEDSA-N 1 2 358.467 2.149 20 30 FEEDLO Cc1nsc(NC(=O)N2CCN(C3=[NH+]CC(C)(C)S3)CC2)c1C#N ZINC000297446091 553293059 /nfs/dbraw/zinc/29/30/59/553293059.db2.gz OOLHYOXYKNFGHG-UHFFFAOYSA-N 1 2 364.500 2.354 20 30 FEEDLO C=CCCCCNC(=O)C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000298047486 553376847 /nfs/dbraw/zinc/37/68/47/553376847.db2.gz DLJQNELGSTTYKS-UHFFFAOYSA-N 1 2 356.426 2.373 20 30 FEEDLO COc1ccc(C(N)=[NH+]OCC(=O)N(C)Cc2ccccc2C)cc1OC ZINC000298123300 553387317 /nfs/dbraw/zinc/38/73/17/553387317.db2.gz CIALZYNREFRDLM-UHFFFAOYSA-N 1 2 371.437 2.308 20 30 FEEDLO C[C@H](O)CNc1cc(N2CCC(Oc3ccc(C#N)cc3)CC2)nc[nH+]1 ZINC000298145623 553389935 /nfs/dbraw/zinc/38/99/35/553389935.db2.gz DBAJGJLJNLOCEF-AWEZNQCLSA-N 1 2 353.426 2.189 20 30 FEEDLO C[C@H](O)CNc1cc(N2CCC(Oc3ccc(C#N)cc3)CC2)[nH+]cn1 ZINC000298145623 553389936 /nfs/dbraw/zinc/38/99/36/553389936.db2.gz DBAJGJLJNLOCEF-AWEZNQCLSA-N 1 2 353.426 2.189 20 30 FEEDLO CCn1cc[nH+]c1CNC(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000298262820 553405394 /nfs/dbraw/zinc/40/53/94/553405394.db2.gz AEQVNEXAJGATHH-UHFFFAOYSA-N 1 2 372.860 2.460 20 30 FEEDLO CCOC1(C)CC[NH+](CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)CC1 ZINC000298323343 553412246 /nfs/dbraw/zinc/41/22/46/553412246.db2.gz QXXJBTHTGDHPDD-OAHLLOKOSA-N 1 2 368.437 2.403 20 30 FEEDLO C[C@@H]1CCCCN1C(=O)CN1CC[NH+](Cc2ccc(OCC#N)cc2)CC1 ZINC000298381589 553418837 /nfs/dbraw/zinc/41/88/37/553418837.db2.gz DGCJJVJZLDYGRI-GOSISDBHSA-N 1 2 370.497 2.108 20 30 FEEDLO C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(Cc2ccc(OCC#N)cc2)CC1 ZINC000298381589 553418840 /nfs/dbraw/zinc/41/88/40/553418840.db2.gz DGCJJVJZLDYGRI-GOSISDBHSA-N 1 2 370.497 2.108 20 30 FEEDLO CC[C@H](Oc1ccccc1F)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000298501447 553432945 /nfs/dbraw/zinc/43/29/45/553432945.db2.gz ATRWQEOQSLYZKK-KRWDZBQOSA-N 1 2 363.433 2.058 20 30 FEEDLO COC(=O)[C@@H]1CC[N@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000298803729 553475111 /nfs/dbraw/zinc/47/51/11/553475111.db2.gz OVMHZSKJBZJZPI-GFCCVEGCSA-N 1 2 361.467 2.322 20 30 FEEDLO COC(=O)[C@@H]1CC[N@@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000298803729 553475113 /nfs/dbraw/zinc/47/51/13/553475113.db2.gz OVMHZSKJBZJZPI-GFCCVEGCSA-N 1 2 361.467 2.322 20 30 FEEDLO COc1ccc(C(=O)N2CC[NH+]([C@H](C)CCC#N)CC2)c(OC)c1OC ZINC000299448867 553564767 /nfs/dbraw/zinc/56/47/67/553564767.db2.gz YXRYZIXVFGTYKV-CQSZACIVSA-N 1 2 361.442 2.162 20 30 FEEDLO CCCN(C)c1ccc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1 ZINC000299486775 553570179 /nfs/dbraw/zinc/57/01/79/553570179.db2.gz BGMTZJKRPRHKKC-UHFFFAOYSA-N 1 2 358.486 2.221 20 30 FEEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(c2ccc(C(F)(F)F)cc2C#N)CC1 ZINC000301484419 553655056 /nfs/dbraw/zinc/65/50/56/553655056.db2.gz VHTUUUHKTPFRBR-GFCCVEGCSA-N 1 2 366.387 2.366 20 30 FEEDLO CC(C)N1CCC[C@H]([N@@H+]2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)C1=O ZINC000328673922 553805122 /nfs/dbraw/zinc/80/51/22/553805122.db2.gz JKIKOAFCRURNSJ-GZRFBZBPSA-N 1 2 352.438 2.381 20 30 FEEDLO CC(C)N1CCC[C@H]([N@H+]2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)C1=O ZINC000328673922 553805124 /nfs/dbraw/zinc/80/51/24/553805124.db2.gz JKIKOAFCRURNSJ-GZRFBZBPSA-N 1 2 352.438 2.381 20 30 FEEDLO C[NH+](C)C[C@H](NC(=O)N[C@H]1CCCS(=O)(=O)C1)c1ccc(Cl)cc1 ZINC000328689164 553807886 /nfs/dbraw/zinc/80/78/86/553807886.db2.gz HYRXTFPYLIAOJN-GJZGRUSLSA-N 1 2 373.906 2.024 20 30 FEEDLO C[C@@H]1C[NH+](C(C)(C)CNC(=O)C[C@@H]2CCCS(=O)(=O)C2)C[C@@H](C)O1 ZINC000328717676 553811748 /nfs/dbraw/zinc/81/17/48/553811748.db2.gz USJXYTITOSSHRW-KFWWJZLASA-N 1 2 360.520 2.046 20 30 FEEDLO CC[C@H](C(=O)Nc1ccc(N2CCOCC2)cn1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000328755941 553817114 /nfs/dbraw/zinc/81/71/14/553817114.db2.gz FOWJJWAMGIWYMM-DLBZAZTESA-N 1 2 362.474 2.396 20 30 FEEDLO CC[C@H](C(=O)Nc1ccc(N2CCOCC2)cn1)[N@H+]1CCO[C@@H](CC)C1 ZINC000328755941 553817117 /nfs/dbraw/zinc/81/71/17/553817117.db2.gz FOWJJWAMGIWYMM-DLBZAZTESA-N 1 2 362.474 2.396 20 30 FEEDLO C[C@@H]1COC[C@H](C)N1C(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000328801724 553824453 /nfs/dbraw/zinc/82/44/53/553824453.db2.gz ZMEZPTNQAIOXLY-JKIFEVAISA-N 1 2 362.474 2.493 20 30 FEEDLO C[C@@H]1COC[C@H](C)N1C(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000328801724 553824455 /nfs/dbraw/zinc/82/44/55/553824455.db2.gz ZMEZPTNQAIOXLY-JKIFEVAISA-N 1 2 362.474 2.493 20 30 FEEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)CN1C(=O)COc3ccccc31)CCC2 ZINC000328855701 553833296 /nfs/dbraw/zinc/83/32/96/553833296.db2.gz XSHMALDHFWNTAD-AWEZNQCLSA-N 1 2 354.410 2.451 20 30 FEEDLO Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)[C@H](C)N2CCOCC2)cc1 ZINC000328872016 553836535 /nfs/dbraw/zinc/83/65/35/553836535.db2.gz QKLQUEDFZZGQQI-HKUYNNGSSA-N 1 2 361.486 2.046 20 30 FEEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)NC[C@H]3CCO[C@@H]3c3ccccc3)C[C@@H]21 ZINC000328899828 553841508 /nfs/dbraw/zinc/84/15/08/553841508.db2.gz XRXSIFIYSADWJN-FCGDIQPGSA-N 1 2 359.470 2.083 20 30 FEEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)NC[C@H]3CCO[C@@H]3c3ccccc3)C[C@@H]21 ZINC000328899828 553841510 /nfs/dbraw/zinc/84/15/10/553841510.db2.gz XRXSIFIYSADWJN-FCGDIQPGSA-N 1 2 359.470 2.083 20 30 FEEDLO Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)[C@H]2CCc3n[nH]nc3C2)cc1 ZINC000328936332 553848507 /nfs/dbraw/zinc/84/85/07/553848507.db2.gz FWCHLCBPIUEXNH-LPHOPBHVSA-N 1 2 369.469 2.248 20 30 FEEDLO Cn1cc[nH+]c1[C@H](NC(=O)N[C@@H]1CCOC2(CCC2)C1)C1CCOCC1 ZINC000328978002 553857325 /nfs/dbraw/zinc/85/73/25/553857325.db2.gz DNRARJLTJVOBLF-HZPDHXFCSA-N 1 2 362.474 2.493 20 30 FEEDLO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(c2cncc(-n3cccn3)n2)CC1 ZINC000329005219 553862521 /nfs/dbraw/zinc/86/25/21/553862521.db2.gz MMNWRBFCMWSSCW-HNNXBMFYSA-N 1 2 369.473 2.072 20 30 FEEDLO CN1C(=O)C[C@H](NC(=O)N2CCn3cc[nH+]c3C2)[C@@H]1c1ccc(Cl)cc1 ZINC000329055927 553872834 /nfs/dbraw/zinc/87/28/34/553872834.db2.gz IDKUHFQOPGCNDY-YOEHRIQHSA-N 1 2 373.844 2.238 20 30 FEEDLO Cc1ncc(C[NH+]2CCN(C(=O)NC[C@@H]3CCO[C@H](C)C3)CC2)s1 ZINC000329106131 553881748 /nfs/dbraw/zinc/88/17/48/553881748.db2.gz HIEKAFIJQAUJSR-UKRRQHHQSA-N 1 2 352.504 2.298 20 30 FEEDLO CO[C@H]1C[C@@H](C(N)=O)N(C(=O)N[C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)C1 ZINC000329116839 553882945 /nfs/dbraw/zinc/88/29/45/553882945.db2.gz ITKBCIWQUNEKTL-AGIUHOORSA-N 1 2 363.462 2.034 20 30 FEEDLO C[C@@H]1CSCCN(C(=O)N[C@H](c2[nH+]ccn2C)C2CCOCC2)C1 ZINC000329235175 553908185 /nfs/dbraw/zinc/90/81/85/553908185.db2.gz NFJOKCMTZVNNHV-ZFWWWQNUSA-N 1 2 352.504 2.487 20 30 FEEDLO CC[C@@H]1CCN(C(=O)N[C@@H]2CCC(=O)N(C3CC3)[C@H]2c2c[nH+]cn2C)C1 ZINC000329243420 553909173 /nfs/dbraw/zinc/90/91/73/553909173.db2.gz SWQAHBMLVWVJSV-DDUZABMNSA-N 1 2 359.474 2.261 20 30 FEEDLO Cc1cc(NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)cnc1N1CCCC[C@@H]1C ZINC000329249224 553910639 /nfs/dbraw/zinc/91/06/39/553910639.db2.gz AREYQKYKHFQLMZ-JQHSSLGASA-N 1 2 373.501 2.329 20 30 FEEDLO Cc1cc(NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)cnc1N1CCCC[C@@H]1C ZINC000329249224 553910640 /nfs/dbraw/zinc/91/06/40/553910640.db2.gz AREYQKYKHFQLMZ-JQHSSLGASA-N 1 2 373.501 2.329 20 30 FEEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000329253572 553911726 /nfs/dbraw/zinc/91/17/26/553911726.db2.gz ZGHHYRYRWOIEKK-DISONHOPSA-N 1 2 363.502 2.043 20 30 FEEDLO C[C@@H]1CCCC[C@H]1NC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000329278072 553915538 /nfs/dbraw/zinc/91/55/38/553915538.db2.gz LCZPQMUFJFRTGG-GDBMZVCRSA-N 1 2 359.474 2.183 20 30 FEEDLO Cc1nnc([C@H]2CCC[N@@H+]([C@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)[nH]1 ZINC000329427964 553944379 /nfs/dbraw/zinc/94/43/79/553944379.db2.gz JKFHRPQIKCKKPM-WMZOPIPTSA-N 1 2 364.453 2.360 20 30 FEEDLO Cc1nnc([C@H]2CCC[N@H+]([C@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)[nH]1 ZINC000329427964 553944381 /nfs/dbraw/zinc/94/43/81/553944381.db2.gz JKFHRPQIKCKKPM-WMZOPIPTSA-N 1 2 364.453 2.360 20 30 FEEDLO Cc1nc([C@H]2CCC[N@H+]([C@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)n[nH]1 ZINC000329427964 553944385 /nfs/dbraw/zinc/94/43/85/553944385.db2.gz JKFHRPQIKCKKPM-WMZOPIPTSA-N 1 2 364.453 2.360 20 30 FEEDLO CN1C(=O)CO[C@H](C(=O)NCc2cn3c([nH+]2)CCCC3)[C@H]1c1ccccc1 ZINC000329450102 553949201 /nfs/dbraw/zinc/94/92/01/553949201.db2.gz CNNJCNCRPVEEND-MOPGFXCFSA-N 1 2 368.437 2.274 20 30 FEEDLO C[C@@H]1CN(c2ccc(CNC(=O)[C@H]3CCn4c[nH+]cc4C3)cn2)CCO1 ZINC000329484143 553955654 /nfs/dbraw/zinc/95/56/54/553955654.db2.gz SENZVBZMOPJCPR-ZBFHGGJFSA-N 1 2 355.442 2.222 20 30 FEEDLO C[N@H+](CC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2)[C@@]1(CO)CCOC1 ZINC000329622122 553978042 /nfs/dbraw/zinc/97/80/42/553978042.db2.gz HCKXQEQKTFQKPK-GOSISDBHSA-N 1 2 362.426 2.399 20 30 FEEDLO C[N@@H+](CC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2)[C@@]1(CO)CCOC1 ZINC000329622122 553978045 /nfs/dbraw/zinc/97/80/45/553978045.db2.gz HCKXQEQKTFQKPK-GOSISDBHSA-N 1 2 362.426 2.399 20 30 FEEDLO O=C(NCc1ccc[nH+]c1N1CCOCC1)NC[C@H]1CCCCS1 ZINC000329629388 553979560 /nfs/dbraw/zinc/97/95/60/553979560.db2.gz HMXNMZPGGJBRNO-OAHLLOKOSA-N 1 2 350.488 2.208 20 30 FEEDLO CC[C@@H]1C[C@H](C(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)CC(=O)N1 ZINC000329655776 553983499 /nfs/dbraw/zinc/98/34/99/553983499.db2.gz FYIJNADQGLVNGV-JKSUJKDBSA-N 1 2 364.490 2.032 20 30 FEEDLO CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CCO[C@@H](C3CCCCC3)C2)C1 ZINC000329695494 553990503 /nfs/dbraw/zinc/99/05/03/553990503.db2.gz XMYZYILLOXIDNR-QZTJIDSGSA-N 1 2 351.491 2.235 20 30 FEEDLO CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CCO[C@@H](C3CCCCC3)C2)C1 ZINC000329695494 553990504 /nfs/dbraw/zinc/99/05/04/553990504.db2.gz XMYZYILLOXIDNR-QZTJIDSGSA-N 1 2 351.491 2.235 20 30 FEEDLO CC1(C)C(=O)NC(=O)N1CC(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000329851778 554018837 /nfs/dbraw/zinc/01/88/37/554018837.db2.gz UDEVHDLEPMOEMR-UHFFFAOYSA-N 1 2 360.414 2.278 20 30 FEEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CCC2 ZINC000507286606 561723656 /nfs/dbraw/zinc/72/36/56/561723656.db2.gz XNASSETVXKBEPB-LIRRHRJNSA-N 1 2 360.458 2.447 20 30 FEEDLO Cn1cc[nH+]c1[C@@H](NC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1)C1CC1 ZINC000507402802 561728340 /nfs/dbraw/zinc/72/83/40/561728340.db2.gz MVRFJIDQWHCSFN-INIZCTEOSA-N 1 2 365.437 2.427 20 30 FEEDLO CO[C@@H]1CC[C@H](NC(=O)NC[C@@H]2C[C@H](F)C[N@@H+]2Cc2c(C)noc2C)C1 ZINC000329966010 554040371 /nfs/dbraw/zinc/04/03/71/554040371.db2.gz VIXYTRYMSPPBMK-YHUYYLMFSA-N 1 2 368.453 2.275 20 30 FEEDLO CO[C@@H]1CC[C@H](NC(=O)NC[C@@H]2C[C@H](F)C[N@H+]2Cc2c(C)noc2C)C1 ZINC000329966010 554040372 /nfs/dbraw/zinc/04/03/72/554040372.db2.gz VIXYTRYMSPPBMK-YHUYYLMFSA-N 1 2 368.453 2.275 20 30 FEEDLO CN1CC[C@@H](C(=O)NC[C@@H]2C[C@H](F)C[N@@H+]2Cc2cccs2)CC1=O ZINC000329985133 554044428 /nfs/dbraw/zinc/04/44/28/554044428.db2.gz QWZICEAQCQQRBT-RDBSUJKOSA-N 1 2 353.463 2.485 20 30 FEEDLO CN1CC[C@@H](C(=O)NC[C@@H]2C[C@H](F)C[N@H+]2Cc2cccs2)CC1=O ZINC000329985133 554044430 /nfs/dbraw/zinc/04/44/30/554044430.db2.gz QWZICEAQCQQRBT-RDBSUJKOSA-N 1 2 353.463 2.485 20 30 FEEDLO C[C@@H]1c2nncn2CCN1C(=O)N[C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000330106398 554065863 /nfs/dbraw/zinc/06/58/63/554065863.db2.gz KVSPPSGQZKWHNO-CHWSQXEVSA-N 1 2 357.462 2.078 20 30 FEEDLO Cc1cnn(-c2c(C(=O)Nc3nc4c(s3)C[N@H+](C)CC4)c(C)nn2C)c1 ZINC000330257436 554094159 /nfs/dbraw/zinc/09/41/59/554094159.db2.gz QQZTXDMFIXIYQW-UHFFFAOYSA-N 1 2 371.470 2.303 20 30 FEEDLO Cc1cnn(-c2c(C(=O)Nc3nc4c(s3)C[N@@H+](C)CC4)c(C)nn2C)c1 ZINC000330257436 554094161 /nfs/dbraw/zinc/09/41/61/554094161.db2.gz QQZTXDMFIXIYQW-UHFFFAOYSA-N 1 2 371.470 2.303 20 30 FEEDLO Cn1cc(C(=O)NC2CCN(c3cccc[nH+]3)CC2)c([C@H]2CCOC2)n1 ZINC000330337181 554107356 /nfs/dbraw/zinc/10/73/56/554107356.db2.gz TVKNIFMBWCUHMR-AWEZNQCLSA-N 1 2 355.442 2.293 20 30 FEEDLO O=C(NCc1nnc2n1CCC2)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000330341434 554108199 /nfs/dbraw/zinc/10/81/99/554108199.db2.gz ZFODCTFDMNPUQQ-UHFFFAOYSA-N 1 2 369.473 2.051 20 30 FEEDLO CCN1CCN(C(=O)Nc2cccc([S@](C)=O)c2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000330345489 554108893 /nfs/dbraw/zinc/10/88/93/554108893.db2.gz FFUUENOFRNKOLM-BZQUYTCOSA-N 1 2 361.471 2.071 20 30 FEEDLO CC(C)CNC(=O)NC(=O)C[N@@H+]1CCC[C@H](c2noc(C(C)C)n2)C1 ZINC000330500015 554130165 /nfs/dbraw/zinc/13/01/65/554130165.db2.gz MIMMBYHSNRJACM-ZDUSSCGKSA-N 1 2 351.451 2.059 20 30 FEEDLO CC(C)CNC(=O)NC(=O)C[N@H+]1CCC[C@H](c2noc(C(C)C)n2)C1 ZINC000330500015 554130166 /nfs/dbraw/zinc/13/01/66/554130166.db2.gz MIMMBYHSNRJACM-ZDUSSCGKSA-N 1 2 351.451 2.059 20 30 FEEDLO CC(C)Oc1c(F)cc(NC(=O)NC[C@@H]2CN(C)CC[N@@H+]2C)cc1F ZINC000330806594 554174409 /nfs/dbraw/zinc/17/44/09/554174409.db2.gz HREBLXQFXIDHDU-CYBMUJFWSA-N 1 2 356.417 2.324 20 30 FEEDLO CC(C)Oc1c(F)cc(NC(=O)NC[C@@H]2CN(C)CC[N@H+]2C)cc1F ZINC000330806594 554174411 /nfs/dbraw/zinc/17/44/11/554174411.db2.gz HREBLXQFXIDHDU-CYBMUJFWSA-N 1 2 356.417 2.324 20 30 FEEDLO C[C@H](NC(=O)NC[C@@H]1C[N@H+](C)CCO1)c1ccc(Br)s1 ZINC000331239508 554234758 /nfs/dbraw/zinc/23/47/58/554234758.db2.gz WIXPINBEGFZVIT-VHSXEESVSA-N 1 2 362.293 2.406 20 30 FEEDLO C[C@H](NC(=O)NC[C@@H]1C[N@@H+](C)CCO1)c1ccc(Br)s1 ZINC000331239508 554234760 /nfs/dbraw/zinc/23/47/60/554234760.db2.gz WIXPINBEGFZVIT-VHSXEESVSA-N 1 2 362.293 2.406 20 30 FEEDLO CC[C@@H](C)NC(=O)CN1CCN(C(=O)Nc2c(C)cc(C)[nH+]c2C)CC1 ZINC000331341572 554248855 /nfs/dbraw/zinc/24/88/55/554248855.db2.gz SQBRXEWJIBKUDO-CQSZACIVSA-N 1 2 361.490 2.085 20 30 FEEDLO CC[C@H]1C(=O)NCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000331951274 554351438 /nfs/dbraw/zinc/35/14/38/554351438.db2.gz OFOMMNBKPRJFOR-WFASDCNBSA-N 1 2 374.510 2.284 20 30 FEEDLO CC[C@H]1C(=O)NCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000331951274 554351442 /nfs/dbraw/zinc/35/14/42/554351442.db2.gz OFOMMNBKPRJFOR-WFASDCNBSA-N 1 2 374.510 2.284 20 30 FEEDLO C[NH+](C)C1(C#N)CCN(C(=O)C(=O)N2CCC[C@H](C(C)(C)C)CC2)CC1 ZINC000332345505 554429386 /nfs/dbraw/zinc/42/93/86/554429386.db2.gz UHMBZJNVQXBOLO-INIZCTEOSA-N 1 2 362.518 2.108 20 30 FEEDLO C[C@H]1CCCCN1C(=O)C[NH+]1CCN(Cc2cccc(C#N)c2F)CC1 ZINC000332565541 554472889 /nfs/dbraw/zinc/47/28/89/554472889.db2.gz UQHCEQRRYVDNDG-INIZCTEOSA-N 1 2 358.461 2.216 20 30 FEEDLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000332619539 554484625 /nfs/dbraw/zinc/48/46/25/554484625.db2.gz RTRUYSZGYGHUPW-UHFFFAOYSA-N 1 2 359.470 2.285 20 30 FEEDLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000332619539 554484630 /nfs/dbraw/zinc/48/46/30/554484630.db2.gz RTRUYSZGYGHUPW-UHFFFAOYSA-N 1 2 359.470 2.285 20 30 FEEDLO C[C@H](C(=O)N(C)C[C@@H]1COc2ccccc2O1)[NH+]1CCC(F)(C#N)CC1 ZINC000510939075 561851618 /nfs/dbraw/zinc/85/16/18/561851618.db2.gz VZBXFCMBKSTZOI-HUUCEWRRSA-N 1 2 361.417 2.001 20 30 FEEDLO Cc1nc([C@H]2CCC[N@@H+]([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)no1 ZINC000360254738 554868882 /nfs/dbraw/zinc/86/88/82/554868882.db2.gz RBUDWOUWWAWOLD-DOTOQJQBSA-N 1 2 351.410 2.235 20 30 FEEDLO Cc1nc([C@H]2CCC[N@H+]([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)no1 ZINC000360254738 554868883 /nfs/dbraw/zinc/86/88/83/554868883.db2.gz RBUDWOUWWAWOLD-DOTOQJQBSA-N 1 2 351.410 2.235 20 30 FEEDLO CCO[C@@H](C)c1noc(C[N@@H+]2CCCN(c3cccc(C#N)n3)CC2)n1 ZINC000360489237 554877035 /nfs/dbraw/zinc/87/70/35/554877035.db2.gz NWHRXZHMBQOWJP-AWEZNQCLSA-N 1 2 356.430 2.146 20 30 FEEDLO CCO[C@@H](C)c1noc(C[N@H+]2CCCN(c3cccc(C#N)n3)CC2)n1 ZINC000360489237 554877036 /nfs/dbraw/zinc/87/70/36/554877036.db2.gz NWHRXZHMBQOWJP-AWEZNQCLSA-N 1 2 356.430 2.146 20 30 FEEDLO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000362823167 554990855 /nfs/dbraw/zinc/99/08/55/554990855.db2.gz PHIFAJQQXNWLBX-GOSISDBHSA-N 1 2 358.467 2.211 20 30 FEEDLO Cc1nn(C)cc1[C@H]1CCC[N@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000362823167 554990857 /nfs/dbraw/zinc/99/08/57/554990857.db2.gz PHIFAJQQXNWLBX-GOSISDBHSA-N 1 2 358.467 2.211 20 30 FEEDLO N#Cc1cccnc1N1CCCN(Cc2[nH+]ccn2CC(F)(F)F)CC1 ZINC000363386558 555091952 /nfs/dbraw/zinc/09/19/52/555091952.db2.gz QXRHPYKQKMIPCT-UHFFFAOYSA-N 1 2 364.375 2.424 20 30 FEEDLO N#CCCCS(=O)(=O)N[C@@H]1CC[N@H+](C2CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000363686036 555163828 /nfs/dbraw/zinc/16/38/28/555163828.db2.gz CSTOUAJSECQVQH-SJORKVTESA-N 1 2 369.437 2.466 20 30 FEEDLO N#CCCCS(=O)(=O)N[C@@H]1CC[N@@H+](C2CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000363686036 555163830 /nfs/dbraw/zinc/16/38/30/555163830.db2.gz CSTOUAJSECQVQH-SJORKVTESA-N 1 2 369.437 2.466 20 30 FEEDLO C[NH+]1CCN(C[C@@H]2CCCN(C(=O)C3(c4ccc(C#N)cc4)CC3)C2)CC1 ZINC000363741116 555176611 /nfs/dbraw/zinc/17/66/11/555176611.db2.gz UEIVHCCELPCOFK-IBGZPJMESA-N 1 2 366.509 2.076 20 30 FEEDLO C=CC[N@@H+](C[C@H](C)CS(C)(=O)=O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000363946232 555219759 /nfs/dbraw/zinc/21/97/59/555219759.db2.gz BZPQQWBUKPUWKK-PKOBYXMFSA-N 1 2 350.528 2.430 20 30 FEEDLO C=CC[N@H+](C[C@H](C)CS(C)(=O)=O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000363946232 555219761 /nfs/dbraw/zinc/21/97/61/555219761.db2.gz BZPQQWBUKPUWKK-PKOBYXMFSA-N 1 2 350.528 2.430 20 30 FEEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1C[C@H](C)[S@@](=O)[C@@H](CC)C1 ZINC000512438159 561905026 /nfs/dbraw/zinc/90/50/26/561905026.db2.gz APJMYLMBKHSUPD-CABYKGFESA-N 1 2 351.512 2.386 20 30 FEEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1C[C@H](C)[S@@](=O)[C@@H](CC)C1 ZINC000512438159 561905027 /nfs/dbraw/zinc/90/50/27/561905027.db2.gz APJMYLMBKHSUPD-CABYKGFESA-N 1 2 351.512 2.386 20 30 FEEDLO C=C(C)C[N@H+](CC(=O)NC(=O)NCc1ccco1)Cc1cnn(C(C)C)c1 ZINC000512522156 561908408 /nfs/dbraw/zinc/90/84/08/561908408.db2.gz PDYAXEVSBFLJBX-UHFFFAOYSA-N 1 2 373.457 2.461 20 30 FEEDLO C=C(C)C[N@@H+](CC(=O)NC(=O)NCc1ccco1)Cc1cnn(C(C)C)c1 ZINC000512522156 561908409 /nfs/dbraw/zinc/90/84/09/561908409.db2.gz PDYAXEVSBFLJBX-UHFFFAOYSA-N 1 2 373.457 2.461 20 30 FEEDLO C#CCn1ccc(C[N@H+](CC)CCN2c3ccccc3O[C@@H](C)C2=O)n1 ZINC000364881728 555423690 /nfs/dbraw/zinc/42/36/90/555423690.db2.gz APWKCCRXYWYBMI-INIZCTEOSA-N 1 2 352.438 2.152 20 30 FEEDLO C#CCn1ccc(C[N@@H+](CC)CCN2c3ccccc3O[C@@H](C)C2=O)n1 ZINC000364881728 555423693 /nfs/dbraw/zinc/42/36/93/555423693.db2.gz APWKCCRXYWYBMI-INIZCTEOSA-N 1 2 352.438 2.152 20 30 FEEDLO CCCC[C@@H](ON=C(C)C)C(=O)N1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000364922864 555439195 /nfs/dbraw/zinc/43/91/95/555439195.db2.gz WOCOFWZMYZIVDB-RBUKOAKNSA-N 1 2 366.550 2.444 20 30 FEEDLO N#Cc1ccc(N2CCC[C@@H]([N@H+]3CCc4ccccc4[C@H]3C(N)=O)C2=O)cc1 ZINC000365101092 555485532 /nfs/dbraw/zinc/48/55/32/555485532.db2.gz QQYOLHOSQIMUMC-UXHICEINSA-N 1 2 374.444 2.138 20 30 FEEDLO N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CCc4ccccc4[C@H]3C(N)=O)C2=O)cc1 ZINC000365101092 555485534 /nfs/dbraw/zinc/48/55/34/555485534.db2.gz QQYOLHOSQIMUMC-UXHICEINSA-N 1 2 374.444 2.138 20 30 FEEDLO Cc1sc(NC(=O)C[N@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(N)=O)c(C#N)c1C ZINC000365885788 555692481 /nfs/dbraw/zinc/69/24/81/555692481.db2.gz PAXNBRMTQPGYDP-CFVMTHIKSA-N 1 2 360.483 2.294 20 30 FEEDLO Cc1sc(NC(=O)C[N@@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(N)=O)c(C#N)c1C ZINC000365885788 555692485 /nfs/dbraw/zinc/69/24/85/555692485.db2.gz PAXNBRMTQPGYDP-CFVMTHIKSA-N 1 2 360.483 2.294 20 30 FEEDLO N#C[C@@H]1N(C(=O)c2ccnc(-n3cc[nH+]c3)c2)CCC[C@]12CCCCO2 ZINC000366186508 555774984 /nfs/dbraw/zinc/77/49/84/555774984.db2.gz OLBFQOXLNMNJFF-QFBILLFUSA-N 1 2 351.410 2.335 20 30 FEEDLO C[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(C#N)s2)[C@H]1c1ccc(F)cc1 ZINC000366622346 555892997 /nfs/dbraw/zinc/89/29/97/555892997.db2.gz NGRFDQDNYNTYBS-GOEBONIOSA-N 1 2 365.455 2.483 20 30 FEEDLO C[N@H+]1CC[C@H](NS(=O)(=O)c2ccc(C#N)s2)[C@H]1c1ccc(F)cc1 ZINC000366622346 555892999 /nfs/dbraw/zinc/89/29/99/555892999.db2.gz NGRFDQDNYNTYBS-GOEBONIOSA-N 1 2 365.455 2.483 20 30 FEEDLO C[C@@H]1C[N@H+](CC(=O)N(C)C2(C#N)CCCCC2)C[C@]2(CCO[C@H](C)C2)O1 ZINC000366787327 555933791 /nfs/dbraw/zinc/93/37/91/555933791.db2.gz LBCKKNZEIUXEIE-MBOZVWFJSA-N 1 2 363.502 2.330 20 30 FEEDLO C[C@@H]1C[N@@H+](CC(=O)N(C)C2(C#N)CCCCC2)C[C@]2(CCO[C@H](C)C2)O1 ZINC000366787327 555933793 /nfs/dbraw/zinc/93/37/93/555933793.db2.gz LBCKKNZEIUXEIE-MBOZVWFJSA-N 1 2 363.502 2.330 20 30 FEEDLO N#Cc1cccc(-n2ccc(C(=O)NCc3cccnc3-n3cc[nH+]c3)n2)c1 ZINC000366954202 555981406 /nfs/dbraw/zinc/98/14/06/555981406.db2.gz OTAJUTSKLJDONU-UHFFFAOYSA-N 1 2 369.388 2.255 20 30 FEEDLO N#Cc1ccccc1CSCCNC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000367757269 556131417 /nfs/dbraw/zinc/13/14/17/556131417.db2.gz LNZOOBBIYHRZFE-OAHLLOKOSA-N 1 2 355.467 2.371 20 30 FEEDLO N#Cc1ccccc1CSCCNC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000367757269 556131420 /nfs/dbraw/zinc/13/14/20/556131420.db2.gz LNZOOBBIYHRZFE-OAHLLOKOSA-N 1 2 355.467 2.371 20 30 FEEDLO N#C[C@]1(C(=O)N2CC[NH+](Cc3ccncc3)CC2)CCc2ccccc2C1 ZINC000367774108 556135577 /nfs/dbraw/zinc/13/55/77/556135577.db2.gz VJAOUQTZACNISX-QFIPXVFZSA-N 1 2 360.461 2.425 20 30 FEEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000368169433 556236075 /nfs/dbraw/zinc/23/60/75/556236075.db2.gz YHAYSCXIRLGOQZ-IBGZPJMESA-N 1 2 354.454 2.119 20 30 FEEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000368169433 556236079 /nfs/dbraw/zinc/23/60/79/556236079.db2.gz YHAYSCXIRLGOQZ-IBGZPJMESA-N 1 2 354.454 2.119 20 30 FEEDLO C=CC[C@@H](C(=O)N1CC[NH+]([C@H]2CCCCNC2=O)CC1)c1ccccc1 ZINC000368749870 556404945 /nfs/dbraw/zinc/40/49/45/556404945.db2.gz JZSNJBBMICUUOD-MOPGFXCFSA-N 1 2 355.482 2.159 20 30 FEEDLO N#Cc1ccc(C[C@@H](C#N)C(=O)NC2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000369141021 556515137 /nfs/dbraw/zinc/51/51/37/556515137.db2.gz XXALBWSIOJUVHZ-SFHVURJKSA-N 1 2 359.433 2.421 20 30 FEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCOC[C@H]1Cc1c[nH]c2ccccc12 ZINC000369191800 556530797 /nfs/dbraw/zinc/53/07/97/556530797.db2.gz BWNIQLVLTKNFON-FUHWJXTLSA-N 1 2 368.481 2.419 20 30 FEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCOC[C@H]1Cc1c[nH]c2ccccc12 ZINC000369191800 556530800 /nfs/dbraw/zinc/53/08/00/556530800.db2.gz BWNIQLVLTKNFON-FUHWJXTLSA-N 1 2 368.481 2.419 20 30 FEEDLO C[NH+]1CCN(C[C@@H]2CCCN(C(=O)/C=C/c3cccc(C#N)c3)C2)CC1 ZINC000369310800 556571257 /nfs/dbraw/zinc/57/12/57/556571257.db2.gz SPCZMKULPMGOBH-DUIUGDAFSA-N 1 2 352.482 2.057 20 30 FEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1Cc2ccccc2[C@H](n2cccn2)C1 ZINC000369449268 556603057 /nfs/dbraw/zinc/60/30/57/556603057.db2.gz XZIQXMAUNUMPRF-QFBILLFUSA-N 1 2 351.454 2.296 20 30 FEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1Cc2ccccc2[C@H](n2cccn2)C1 ZINC000369449268 556603059 /nfs/dbraw/zinc/60/30/59/556603059.db2.gz XZIQXMAUNUMPRF-QFBILLFUSA-N 1 2 351.454 2.296 20 30 FEEDLO N#Cc1ccc(OCCNC(=O)NCc2ccc(-n3cc[nH+]c3)nc2)cc1 ZINC000369747822 556684009 /nfs/dbraw/zinc/68/40/09/556684009.db2.gz FMGIXMCESZFYGH-UHFFFAOYSA-N 1 2 362.393 2.017 20 30 FEEDLO Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)NC[C@H](C)Cn3cc[nH+]c3)C2)n1 ZINC000370028042 556761966 /nfs/dbraw/zinc/76/19/66/556761966.db2.gz SKBINCDJOJOANB-MAUKXSAKSA-N 1 2 366.469 2.127 20 30 FEEDLO N#CCCn1cc(C(=O)C[N@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)c2ccccc21 ZINC000370221060 556814725 /nfs/dbraw/zinc/81/47/25/556814725.db2.gz HCHRHKYZPCAMTB-BXTJHSDWSA-N 1 2 364.449 2.323 20 30 FEEDLO N#CCCn1cc(C(=O)C[N@@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)c2ccccc21 ZINC000370221060 556814727 /nfs/dbraw/zinc/81/47/27/556814727.db2.gz HCHRHKYZPCAMTB-BXTJHSDWSA-N 1 2 364.449 2.323 20 30 FEEDLO C[NH+]1CCN(C2(CNc3nccc(C#N)c3[N+](=O)[O-])CCCCCC2)CC1 ZINC000370531469 556901300 /nfs/dbraw/zinc/90/13/00/556901300.db2.gz PNQYJFSKMDPHAJ-UHFFFAOYSA-N 1 2 372.473 2.614 20 30 FEEDLO COc1ccccc1Oc1ccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)nc1 ZINC000516974191 562068748 /nfs/dbraw/zinc/06/87/48/562068748.db2.gz UCJNJXHBZVZEBA-LJQANCHMSA-N 1 2 354.410 2.456 20 30 FEEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@H](N2CCCCC2=O)C1 ZINC000370896769 557006873 /nfs/dbraw/zinc/00/68/73/557006873.db2.gz CNYBMXFFSBBZPM-WBVHZDCISA-N 1 2 354.454 2.362 20 30 FEEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@H](N2CCCCC2=O)C1 ZINC000370896769 557006876 /nfs/dbraw/zinc/00/68/76/557006876.db2.gz CNYBMXFFSBBZPM-WBVHZDCISA-N 1 2 354.454 2.362 20 30 FEEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1)CCC2 ZINC000370954130 557026877 /nfs/dbraw/zinc/02/68/77/557026877.db2.gz QURBOWKGCCPBTI-ZDUSSCGKSA-N 1 2 371.828 2.349 20 30 FEEDLO Cc1oc(NC(=O)C[N@H+]2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)c(C#N)c1C ZINC000371334233 557149844 /nfs/dbraw/zinc/14/98/44/557149844.db2.gz DQSKAAZPICKPOI-NVXWUHKLSA-N 1 2 371.441 2.028 20 30 FEEDLO Cc1oc(NC(=O)C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)c(C#N)c1C ZINC000371334233 557149847 /nfs/dbraw/zinc/14/98/47/557149847.db2.gz DQSKAAZPICKPOI-NVXWUHKLSA-N 1 2 371.441 2.028 20 30 FEEDLO CC(=O)Nc1ccccc1C[N@@H+]1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000371470706 557190790 /nfs/dbraw/zinc/19/07/90/557190790.db2.gz NUJYTVJXQYGOFG-KKSFZXQISA-N 1 2 360.417 2.490 20 30 FEEDLO CC(=O)Nc1ccccc1C[N@H+]1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000371470706 557190792 /nfs/dbraw/zinc/19/07/92/557190792.db2.gz NUJYTVJXQYGOFG-KKSFZXQISA-N 1 2 360.417 2.490 20 30 FEEDLO N#C[C@@H]1C[N@@H+](C[C@H](O)c2ccc(F)cc2F)C[C@@]12C(=O)Nc1ccccc12 ZINC000372229192 557415937 /nfs/dbraw/zinc/41/59/37/557415937.db2.gz UHDVVKHPEIZGPI-CCMJGWDWSA-N 1 2 369.371 2.344 20 30 FEEDLO N#C[C@@H]1C[N@H+](C[C@H](O)c2ccc(F)cc2F)C[C@@]12C(=O)Nc1ccccc12 ZINC000372229192 557415940 /nfs/dbraw/zinc/41/59/40/557415940.db2.gz UHDVVKHPEIZGPI-CCMJGWDWSA-N 1 2 369.371 2.344 20 30 FEEDLO C=C(C)[C@H]1OCC[C@H]1CNS(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000519519800 562133114 /nfs/dbraw/zinc/13/31/14/562133114.db2.gz JAHWDHWMVRRRPG-MAUKXSAKSA-N 1 2 361.467 2.191 20 30 FEEDLO C#Cc1cccc(NC(=O)C(=O)N(C)C2CCN(c3cccc[nH+]3)CC2)c1 ZINC000373005361 557608118 /nfs/dbraw/zinc/60/81/18/557608118.db2.gz YFKMACVFJMOERX-UHFFFAOYSA-N 1 2 362.433 2.129 20 30 FEEDLO C=CCOc1cccc(NC(=O)C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)c1 ZINC000374210332 557843623 /nfs/dbraw/zinc/84/36/23/557843623.db2.gz FXSCAVWCNXOFOI-UHFFFAOYSA-N 1 2 354.410 2.319 20 30 FEEDLO C=CCOc1cccc(NC(=O)C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000374210332 557843624 /nfs/dbraw/zinc/84/36/24/557843624.db2.gz FXSCAVWCNXOFOI-UHFFFAOYSA-N 1 2 354.410 2.319 20 30 FEEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CC[C@]2(C1)C(=O)Nc1ccccc12 ZINC000375319980 558008535 /nfs/dbraw/zinc/00/85/35/558008535.db2.gz ONUVCRQDAKMJAO-GOSISDBHSA-N 1 2 352.419 2.154 20 30 FEEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CC[C@]2(C1)C(=O)Nc1ccccc12 ZINC000375319980 558008538 /nfs/dbraw/zinc/00/85/38/558008538.db2.gz ONUVCRQDAKMJAO-GOSISDBHSA-N 1 2 352.419 2.154 20 30 FEEDLO C[N@@H+]1CCc2nc(NC(=O)c3ccn(-c4cccc(C#N)c4)n3)sc2C1 ZINC000375599540 558054935 /nfs/dbraw/zinc/05/49/35/558054935.db2.gz UKUDNWWWTSQWJN-UHFFFAOYSA-N 1 2 364.434 2.441 20 30 FEEDLO C[N@H+]1CCc2nc(NC(=O)c3ccn(-c4cccc(C#N)c4)n3)sc2C1 ZINC000375599540 558054937 /nfs/dbraw/zinc/05/49/37/558054937.db2.gz UKUDNWWWTSQWJN-UHFFFAOYSA-N 1 2 364.434 2.441 20 30 FEEDLO CCOC(=O)C1(S(C)(=O)=O)CC[NH+](CCCCC(C)(C)C#N)CC1 ZINC000375744690 558076130 /nfs/dbraw/zinc/07/61/30/558076130.db2.gz OFEDZKCDQWPFHI-UHFFFAOYSA-N 1 2 358.504 2.149 20 30 FEEDLO Cc1cc(C#N)cc(N2CC[C@@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)n1 ZINC000376195917 558139649 /nfs/dbraw/zinc/13/96/49/558139649.db2.gz DXWHNILPTITYRA-QGZVFWFLSA-N 1 2 371.485 2.393 20 30 FEEDLO Cc1nc(C[N@@H+](C)[C@@H]2CCCN(C(=O)c3cc(C#N)cs3)CC2)no1 ZINC000376244784 558146833 /nfs/dbraw/zinc/14/68/33/558146833.db2.gz MQXDPTABSNBZAF-CQSZACIVSA-N 1 2 359.455 2.438 20 30 FEEDLO Cc1nc(C[N@H+](C)[C@@H]2CCCN(C(=O)c3cc(C#N)cs3)CC2)no1 ZINC000376244784 558146835 /nfs/dbraw/zinc/14/68/35/558146835.db2.gz MQXDPTABSNBZAF-CQSZACIVSA-N 1 2 359.455 2.438 20 30 FEEDLO CCO[C@@H](C)c1noc(C[N@@H+]2CCCN(c3ccncc3C#N)CC2)n1 ZINC000376312173 558156427 /nfs/dbraw/zinc/15/64/27/558156427.db2.gz SAIJHIQNMXJAIQ-AWEZNQCLSA-N 1 2 356.430 2.146 20 30 FEEDLO CCO[C@@H](C)c1noc(C[N@H+]2CCCN(c3ccncc3C#N)CC2)n1 ZINC000376312173 558156429 /nfs/dbraw/zinc/15/64/29/558156429.db2.gz SAIJHIQNMXJAIQ-AWEZNQCLSA-N 1 2 356.430 2.146 20 30 FEEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H](c3ccnc(N)n3)C2)cc1Cl ZINC000377097353 558265369 /nfs/dbraw/zinc/26/53/69/558265369.db2.gz LOTHVZOUKCDLDF-CYBMUJFWSA-N 1 2 370.844 2.402 20 30 FEEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](c3ccnc(N)n3)C2)cc1Cl ZINC000377097353 558265372 /nfs/dbraw/zinc/26/53/72/558265372.db2.gz LOTHVZOUKCDLDF-CYBMUJFWSA-N 1 2 370.844 2.402 20 30 FEEDLO Cc1[nH+]c2n(c1C)CCN(C(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1)C2 ZINC000377776808 558417532 /nfs/dbraw/zinc/41/75/32/558417532.db2.gz IGEYCDFHQLJTOH-UHFFFAOYSA-N 1 2 365.437 2.282 20 30 FEEDLO C=CCNC(=O)Nc1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)nn2)cc1 ZINC000523121877 562208692 /nfs/dbraw/zinc/20/86/92/562208692.db2.gz BARCCCIVUFPQGK-UHFFFAOYSA-N 1 2 363.381 2.222 20 30 FEEDLO N#Cc1ccccc1OCC[N@@H+]1C[C@@H](C#N)[C@@]2(C1)C(=O)Nc1ccccc12 ZINC000378294472 558522280 /nfs/dbraw/zinc/52/22/80/558522280.db2.gz VWIXODUXXLPGBG-IIBYNOLFSA-N 1 2 358.401 2.283 20 30 FEEDLO N#Cc1ccccc1OCC[N@H+]1C[C@@H](C#N)[C@@]2(C1)C(=O)Nc1ccccc12 ZINC000378294472 558522283 /nfs/dbraw/zinc/52/22/83/558522283.db2.gz VWIXODUXXLPGBG-IIBYNOLFSA-N 1 2 358.401 2.283 20 30 FEEDLO C[C@H]1CN(S(=O)(=O)c2cccc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000396344172 558623257 /nfs/dbraw/zinc/62/32/57/558623257.db2.gz CAFBXSWRBAVUJI-INIZCTEOSA-N 1 2 355.463 2.453 20 30 FEEDLO C[C@H]1CN(S(=O)(=O)c2cccc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000396344172 558623258 /nfs/dbraw/zinc/62/32/58/558623258.db2.gz CAFBXSWRBAVUJI-INIZCTEOSA-N 1 2 355.463 2.453 20 30 FEEDLO C=CCN1CC[C@@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)C1=O ZINC000410177204 558744136 /nfs/dbraw/zinc/74/41/36/558744136.db2.gz CAXXYFMFSSHKHF-RTBURBONSA-N 1 2 373.472 2.426 20 30 FEEDLO C=CCN1CC[C@@H](N(C)C(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)C1=O ZINC000410177204 558744137 /nfs/dbraw/zinc/74/41/37/558744137.db2.gz CAXXYFMFSSHKHF-RTBURBONSA-N 1 2 373.472 2.426 20 30 FEEDLO N#Cc1ncc(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1Cl ZINC000411028489 558833003 /nfs/dbraw/zinc/83/30/03/558833003.db2.gz HFGNVRINRMCJEP-QGZVFWFLSA-N 1 2 356.813 2.446 20 30 FEEDLO N#Cc1ncc(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1Cl ZINC000411028489 558833005 /nfs/dbraw/zinc/83/30/05/558833005.db2.gz HFGNVRINRMCJEP-QGZVFWFLSA-N 1 2 356.813 2.446 20 30 FEEDLO N#Cc1ccc(-c2nnc(C[N@H+]3CCC[C@H](N4CCCC4=O)C3)o2)cc1 ZINC000525272149 562244624 /nfs/dbraw/zinc/24/46/24/562244624.db2.gz NFPWAIHREPDZNH-INIZCTEOSA-N 1 2 351.410 2.195 20 30 FEEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3CCC[C@H](N4CCCC4=O)C3)o2)cc1 ZINC000525272149 562244625 /nfs/dbraw/zinc/24/46/25/562244625.db2.gz NFPWAIHREPDZNH-INIZCTEOSA-N 1 2 351.410 2.195 20 30 FEEDLO C=C[C@@H]1CCCCN1C(=O)C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000411471513 558900716 /nfs/dbraw/zinc/90/07/16/558900716.db2.gz FXXIENHYOLDNED-MRXNPFEDSA-N 1 2 368.437 2.468 20 30 FEEDLO N#Cc1cccc(N2CC[NH+]([C@H]3CCN(c4ccc(F)cc4)C3=O)CC2)n1 ZINC000411533076 558912040 /nfs/dbraw/zinc/91/20/40/558912040.db2.gz ZPBFDPFBDLJAKO-SFHVURJKSA-N 1 2 365.412 2.020 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)c3cc4ccccc4o3)C2)C1=O ZINC000525709068 562252966 /nfs/dbraw/zinc/25/29/66/562252966.db2.gz JWHKRZWJRHTSJM-SJORKVTESA-N 1 2 367.449 2.414 20 30 FEEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)c3cc4ccccc4o3)C2)C1=O ZINC000525709068 562252967 /nfs/dbraw/zinc/25/29/67/562252967.db2.gz JWHKRZWJRHTSJM-SJORKVTESA-N 1 2 367.449 2.414 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CC[C@@]2(C1)CC(=O)c1ccccc1O2 ZINC000411977759 558998666 /nfs/dbraw/zinc/99/86/66/558998666.db2.gz GMUZIMJZRVLFNV-PMACEKPBSA-N 1 2 355.438 2.151 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CC[C@@]2(C1)CC(=O)c1ccccc1O2 ZINC000411977759 558998668 /nfs/dbraw/zinc/99/86/68/558998668.db2.gz GMUZIMJZRVLFNV-PMACEKPBSA-N 1 2 355.438 2.151 20 30 FEEDLO CC1(C)C[C@@H](C(=O)N(CCC#N)CC[NH+]2CCOCC2)c2ccccc2O1 ZINC000412122580 559015799 /nfs/dbraw/zinc/01/57/99/559015799.db2.gz GKWMRUXYFZWIIA-GOSISDBHSA-N 1 2 371.481 2.406 20 30 FEEDLO COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(C(C)(C)C#N)cc2)C1 ZINC000412370014 559031528 /nfs/dbraw/zinc/03/15/28/559031528.db2.gz ONBCQXACUMVAJE-OAHLLOKOSA-N 1 2 357.454 2.103 20 30 FEEDLO COC(=O)C[N@H+]1CCC[C@H](CNC(=O)c2ccc(C(C)(C)C#N)cc2)C1 ZINC000412370014 559031529 /nfs/dbraw/zinc/03/15/29/559031529.db2.gz ONBCQXACUMVAJE-OAHLLOKOSA-N 1 2 357.454 2.103 20 30 FEEDLO COc1ccc(C(=O)C2CC[NH+](CC(=O)NC3(C#N)CCC3)CC2)cc1 ZINC000526134992 562268006 /nfs/dbraw/zinc/26/80/06/562268006.db2.gz DWIYQWVYKPYISZ-UHFFFAOYSA-N 1 2 355.438 2.152 20 30 FEEDLO Cc1cc(-c2noc([C@H](C)[NH2+]CC(=O)NC3(C#N)CCC3)n2)ccc1F ZINC000526136040 562268031 /nfs/dbraw/zinc/26/80/31/562268031.db2.gz RJJICAFUGDWPRY-LBPRGKRZSA-N 1 2 357.389 2.397 20 30 FEEDLO C[N@H+](CCC#N)C[C@H](O)COc1ccc(-c2noc([C@@H]3CCCO3)n2)cc1 ZINC000414148023 559150860 /nfs/dbraw/zinc/15/08/60/559150860.db2.gz MZOBSDQDWXYKHF-RDJZCZTQSA-N 1 2 372.425 2.173 20 30 FEEDLO C[N@@H+](CCC#N)C[C@H](O)COc1ccc(-c2noc([C@@H]3CCCO3)n2)cc1 ZINC000414148023 559150861 /nfs/dbraw/zinc/15/08/61/559150861.db2.gz MZOBSDQDWXYKHF-RDJZCZTQSA-N 1 2 372.425 2.173 20 30 FEEDLO N#CC1(CNC(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)CCC1 ZINC000416359142 559307370 /nfs/dbraw/zinc/30/73/70/559307370.db2.gz NWZHRYJOLNEASV-UHFFFAOYSA-N 1 2 351.410 2.336 20 30 FEEDLO Cc1cc(NC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)c(C#N)cc1N(C)C ZINC000417165674 559350807 /nfs/dbraw/zinc/35/08/07/559350807.db2.gz WFRHTZBOVXCSCG-NVXWUHKLSA-N 1 2 371.485 2.260 20 30 FEEDLO CC(C)(C)OC(=O)C[NH2+][C@@]1(C)CCN(c2nc3ccccn3c2C#N)C1 ZINC000418934670 559422465 /nfs/dbraw/zinc/42/24/65/559422465.db2.gz AFASVTITMZPPAX-IBGZPJMESA-N 1 2 355.442 2.106 20 30 FEEDLO CC(C)(C)OC(=O)C[NH2+][C@]1(C)CCN(c2ccc([N+](=O)[O-])c(C#N)c2)C1 ZINC000418940207 559422792 /nfs/dbraw/zinc/42/27/92/559422792.db2.gz GSTYQLNWAQVSIQ-GOSISDBHSA-N 1 2 360.414 2.367 20 30 FEEDLO CC(=O)N[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2S[C@H](C)CC#N)C1 ZINC000420947006 559513502 /nfs/dbraw/zinc/51/35/02/559513502.db2.gz CJFMNULJMCXWKB-HIFRSBDPSA-N 1 2 360.483 2.230 20 30 FEEDLO CC(=O)N[C@H]1CC[N@H+](CC(=O)Nc2ccccc2S[C@H](C)CC#N)C1 ZINC000420947006 559513503 /nfs/dbraw/zinc/51/35/03/559513503.db2.gz CJFMNULJMCXWKB-HIFRSBDPSA-N 1 2 360.483 2.230 20 30 FEEDLO C=CCn1cc(CN[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)nn1 ZINC000424297276 559660983 /nfs/dbraw/zinc/66/09/83/559660983.db2.gz QBWRZENOVDMRKK-MSOLQXFVSA-N 1 2 361.877 2.279 20 30 FEEDLO C=CCn1cc(CN[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)nn1 ZINC000424297276 559660984 /nfs/dbraw/zinc/66/09/84/559660984.db2.gz QBWRZENOVDMRKK-MSOLQXFVSA-N 1 2 361.877 2.279 20 30 FEEDLO N#CCN1CCC[C@@H](CNC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000425232547 559692597 /nfs/dbraw/zinc/69/25/97/559692597.db2.gz KJURFCOYDOYYGK-WMZOPIPTSA-N 1 2 351.454 2.283 20 30 FEEDLO CO[C@H](C)c1noc(C[N@@H+]2CCCN(c3cc(C)ncc3C#N)CC2)n1 ZINC000425231657 559692694 /nfs/dbraw/zinc/69/26/94/559692694.db2.gz NKVOQXOMCQPWGB-CQSZACIVSA-N 1 2 356.430 2.064 20 30 FEEDLO CO[C@H](C)c1noc(C[N@H+]2CCCN(c3cc(C)ncc3C#N)CC2)n1 ZINC000425231657 559692695 /nfs/dbraw/zinc/69/26/95/559692695.db2.gz NKVOQXOMCQPWGB-CQSZACIVSA-N 1 2 356.430 2.064 20 30 FEEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CC[C@H](c2nnc[nH]2)C1 ZINC000425556076 559709630 /nfs/dbraw/zinc/70/96/30/559709630.db2.gz ZKYIWYYOTJNSHL-KBPBESRZSA-N 1 2 370.482 2.484 20 30 FEEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CC[C@H](c2nnc[nH]2)C1 ZINC000425556076 559709631 /nfs/dbraw/zinc/70/96/31/559709631.db2.gz ZKYIWYYOTJNSHL-KBPBESRZSA-N 1 2 370.482 2.484 20 30 FEEDLO Cc1[nH+]c2cc(NC(=O)C(=O)N(CCC#N)Cc3ccco3)ccc2n1C ZINC000527335891 562285766 /nfs/dbraw/zinc/28/57/66/562285766.db2.gz VRYBFRBIURPJBQ-UHFFFAOYSA-N 1 2 365.393 2.356 20 30 FEEDLO CC(C)C[C@@H](CNC(=O)c1ncc(C#N)cc1Cl)[NH+]1CCOCC1 ZINC000427911789 559765141 /nfs/dbraw/zinc/76/51/41/559765141.db2.gz FBZJUUDBURUBDX-AWEZNQCLSA-N 1 2 350.850 2.083 20 30 FEEDLO CC(C)([NH2+]CC(=O)N(CCC#N)CCC#N)c1cc(C(F)(F)F)on1 ZINC000429269643 559794434 /nfs/dbraw/zinc/79/44/34/559794434.db2.gz GMXOLIRNSMTTBQ-UHFFFAOYSA-N 1 2 357.336 2.174 20 30 FEEDLO N#Cc1ccc(CS(=O)(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)c(F)c1 ZINC000433439698 559881354 /nfs/dbraw/zinc/88/13/54/559881354.db2.gz MIXCWKDTXSEBMM-MRXNPFEDSA-N 1 2 361.398 2.075 20 30 FEEDLO C[C@@H]1C[N@H+](C)[C@@H](C)CN1S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000433888741 559889807 /nfs/dbraw/zinc/88/98/07/559889807.db2.gz SUDFGXIFIVRIAE-WDEREUQCSA-N 1 2 372.288 2.034 20 30 FEEDLO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000433888741 559889808 /nfs/dbraw/zinc/88/98/08/559889808.db2.gz SUDFGXIFIVRIAE-WDEREUQCSA-N 1 2 372.288 2.034 20 30 FEEDLO COc1ccc(Br)cc1C[N@H+](C)CC(=O)NC1(C#N)CCC1 ZINC000527384954 562287286 /nfs/dbraw/zinc/28/72/86/562287286.db2.gz IBVZAYKYINCRSL-UHFFFAOYSA-N 1 2 366.259 2.452 20 30 FEEDLO COc1ccc(Br)cc1C[N@@H+](C)CC(=O)NC1(C#N)CCC1 ZINC000527384954 562287287 /nfs/dbraw/zinc/28/72/87/562287287.db2.gz IBVZAYKYINCRSL-UHFFFAOYSA-N 1 2 366.259 2.452 20 30 FEEDLO CC(C)(C)OC(=O)C[NH2+][C@]1(C)CCN(C(=O)Nc2ccc(C#N)cc2)C1 ZINC000441238670 560026919 /nfs/dbraw/zinc/02/69/19/560026919.db2.gz ZEBICEXSIQLHFO-LJQANCHMSA-N 1 2 358.442 2.486 20 30 FEEDLO N#Cc1ccc(OC2CCN(C(=O)c3ccc(-n4cc[nH+]c4)nn3)CC2)cc1 ZINC000527477405 562289558 /nfs/dbraw/zinc/28/95/58/562289558.db2.gz OOKWLLMUSKHRDK-UHFFFAOYSA-N 1 2 374.404 2.218 20 30 FEEDLO Cc1cccc([C@@H](CNC(=O)c2ccc(C#N)n2C)[NH+]2CCOCC2)c1 ZINC000448695189 560194918 /nfs/dbraw/zinc/19/49/18/560194918.db2.gz UYPBUHCUYIFRCD-LJQANCHMSA-N 1 2 352.438 2.009 20 30 FEEDLO C[C@H]1C[N@@H+]([C@@H](CNC(=O)c2ccc(C#N)n2C)c2cccs2)CCO1 ZINC000450047877 560249177 /nfs/dbraw/zinc/24/91/77/560249177.db2.gz WFIICELPYCKVHB-BBRMVZONSA-N 1 2 358.467 2.150 20 30 FEEDLO C[C@H]1C[N@H+]([C@@H](CNC(=O)c2ccc(C#N)n2C)c2cccs2)CCO1 ZINC000450047877 560249178 /nfs/dbraw/zinc/24/91/78/560249178.db2.gz WFIICELPYCKVHB-BBRMVZONSA-N 1 2 358.467 2.150 20 30 FEEDLO N#CCc1ccc(S(=O)(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)c(Cl)c1 ZINC000450993316 560281440 /nfs/dbraw/zinc/28/14/40/560281440.db2.gz VAHZPSNBNDEYPZ-CQSZACIVSA-N 1 2 364.858 2.456 20 30 FEEDLO Cn1cc[nH+]c1[C@@H]1CCN(S(=O)(=O)c2ccc(CC#N)cc2Cl)C1 ZINC000451338319 560301155 /nfs/dbraw/zinc/30/11/55/560301155.db2.gz IDPZSHSWVCBSJE-CYBMUJFWSA-N 1 2 364.858 2.318 20 30 FEEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2C[C@H](O)C[C@H](C)C2)c1C#N ZINC000452069884 560349322 /nfs/dbraw/zinc/34/93/22/560349322.db2.gz QNRGQOOCCZJFSA-XJKSGUPXSA-N 1 2 370.453 2.259 20 30 FEEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2C[C@H](O)C[C@H](C)C2)c1C#N ZINC000452069884 560349323 /nfs/dbraw/zinc/34/93/23/560349323.db2.gz QNRGQOOCCZJFSA-XJKSGUPXSA-N 1 2 370.453 2.259 20 30 FEEDLO Cn1ccnc1[C@H]1[N@H+](C[C@H](O)COc2ccc(CC#N)cc2)CC1(C)C ZINC000453023741 560381454 /nfs/dbraw/zinc/38/14/54/560381454.db2.gz RPZCYRABRPOVRE-FUHWJXTLSA-N 1 2 354.454 2.309 20 30 FEEDLO Cn1ccnc1[C@H]1[N@@H+](C[C@H](O)COc2ccc(CC#N)cc2)CC1(C)C ZINC000453023741 560381455 /nfs/dbraw/zinc/38/14/55/560381455.db2.gz RPZCYRABRPOVRE-FUHWJXTLSA-N 1 2 354.454 2.309 20 30 FEEDLO Cn1cc[nH+]c1[C@H]1N(C[C@H](O)COc2ccc(CC#N)cc2)CC1(C)C ZINC000453023741 560381456 /nfs/dbraw/zinc/38/14/56/560381456.db2.gz RPZCYRABRPOVRE-FUHWJXTLSA-N 1 2 354.454 2.309 20 30 FEEDLO C=CC(C)(C)CNC(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000454402287 560443037 /nfs/dbraw/zinc/44/30/37/560443037.db2.gz ZDWUGIUBBSNKPN-UHFFFAOYSA-N 1 2 361.486 2.409 20 30 FEEDLO Cc1cc(C#N)cc(NC(=O)N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)c1 ZINC000455979838 560503143 /nfs/dbraw/zinc/50/31/43/560503143.db2.gz DYUTXBPKIFTCFR-INIZCTEOSA-N 1 2 369.469 2.027 20 30 FEEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)C(C)(C)Cc1ccc(C#N)cc1 ZINC000456054479 560505608 /nfs/dbraw/zinc/50/56/08/560505608.db2.gz KXZVDGOUENGWEG-APWZRJJASA-N 1 2 355.482 2.449 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000456272448 560513833 /nfs/dbraw/zinc/51/38/33/560513833.db2.gz YVICBYNRRZAOQV-MSOLQXFVSA-N 1 2 368.437 2.375 20 30 FEEDLO C=CCSCCNC(=O)N(CC[NH+]1CCOCC1)Cc1ccco1 ZINC000458078676 560602264 /nfs/dbraw/zinc/60/22/64/560602264.db2.gz JGKIQMNNRPDKRS-UHFFFAOYSA-N 1 2 353.488 2.043 20 30 FEEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000459343074 560681328 /nfs/dbraw/zinc/68/13/28/560681328.db2.gz HKQPTKPSWYNOPT-AWEZNQCLSA-N 1 2 352.398 2.384 20 30 FEEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000459343074 560681329 /nfs/dbraw/zinc/68/13/29/560681329.db2.gz HKQPTKPSWYNOPT-AWEZNQCLSA-N 1 2 352.398 2.384 20 30 FEEDLO CCCN(CC(=O)Nc1ccccc1C)C(=O)C[NH2+][C@H]1CCC[C@@H]1C#N ZINC000459460239 560687674 /nfs/dbraw/zinc/68/76/74/560687674.db2.gz JCMVRJVGWPJVMM-AEFFLSMTSA-N 1 2 356.470 2.454 20 30 FEEDLO CCOc1cc(C[NH+]2CCN(c3c(C#N)c(C)nn3C)CC2)ccc1O ZINC000459490942 560689420 /nfs/dbraw/zinc/68/94/20/560689420.db2.gz CFNBYCALDSHLBR-UHFFFAOYSA-N 1 2 355.442 2.027 20 30 FEEDLO C[C@@H](Cc1cccc(F)c1)[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000459766171 560706826 /nfs/dbraw/zinc/70/68/26/560706826.db2.gz PCIZTFYACVOSGO-AWEZNQCLSA-N 1 2 361.442 2.429 20 30 FEEDLO C[C@@H](Cc1cccc(F)c1)[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000459766171 560706827 /nfs/dbraw/zinc/70/68/27/560706827.db2.gz PCIZTFYACVOSGO-AWEZNQCLSA-N 1 2 361.442 2.429 20 30 FEEDLO CCC(CC)[C@@H](C(=O)NCc1ccc(C#N)c(OC)c1)[NH+]1CCOCC1 ZINC000460572128 560746579 /nfs/dbraw/zinc/74/65/79/560746579.db2.gz IEDFXLIPRNVARZ-IBGZPJMESA-N 1 2 359.470 2.320 20 30 FEEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C)[C@@]1(CO)CCOC1 ZINC000461389499 560769367 /nfs/dbraw/zinc/76/93/67/560769367.db2.gz VFUSNHPEZXJDLU-KBXCAEBGSA-N 1 2 363.483 2.103 20 30 FEEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C)[C@@]1(CO)CCOC1 ZINC000461389499 560769369 /nfs/dbraw/zinc/76/93/69/560769369.db2.gz VFUSNHPEZXJDLU-KBXCAEBGSA-N 1 2 363.483 2.103 20 30 FEEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCC[C@]2(CNC(=O)C2)C1 ZINC000464794395 560851239 /nfs/dbraw/zinc/85/12/39/560851239.db2.gz NBHBBTKURKFJEK-BUXKBTBVSA-N 1 2 372.494 2.038 20 30 FEEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCC[C@]2(CNC(=O)C2)C1 ZINC000464794395 560851240 /nfs/dbraw/zinc/85/12/40/560851240.db2.gz NBHBBTKURKFJEK-BUXKBTBVSA-N 1 2 372.494 2.038 20 30 FEEDLO COC(=O)[C@H]1C[C@H](C2CCCCC2)C[N@@H+]1CC(=O)N(CCC#N)CCC#N ZINC000464823585 560852554 /nfs/dbraw/zinc/85/25/54/560852554.db2.gz QNGBQQQLNYQTNH-ZWKOTPCHSA-N 1 2 374.485 2.086 20 30 FEEDLO COC(=O)[C@H]1C[C@H](C2CCCCC2)C[N@H+]1CC(=O)N(CCC#N)CCC#N ZINC000464823585 560852555 /nfs/dbraw/zinc/85/25/55/560852555.db2.gz QNGBQQQLNYQTNH-ZWKOTPCHSA-N 1 2 374.485 2.086 20 30 FEEDLO Cc1nn(C)c(N2CCN(Cc3c[nH+]c4ccc(Cl)cn34)CC2)c1C#N ZINC000471807405 561012159 /nfs/dbraw/zinc/01/21/59/561012159.db2.gz BDTMKANVNZIALR-UHFFFAOYSA-N 1 2 369.860 2.224 20 30 FEEDLO CCC(C#N)(CC)C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000528268865 562320007 /nfs/dbraw/zinc/32/00/07/562320007.db2.gz VMZQUNTUXJXAQO-UHFFFAOYSA-N 1 2 359.470 2.344 20 30 FEEDLO COc1ccc(C[N@@H+]2CC[C@H]2CNS(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000528504980 562332980 /nfs/dbraw/zinc/33/29/80/562332980.db2.gz WXXGOTAHOJWNJJ-KRWDZBQOSA-N 1 2 371.462 2.120 20 30 FEEDLO COc1ccc(C[N@H+]2CC[C@H]2CNS(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000528504980 562332981 /nfs/dbraw/zinc/33/29/81/562332981.db2.gz WXXGOTAHOJWNJJ-KRWDZBQOSA-N 1 2 371.462 2.120 20 30 FEEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[NH+]1CCN(c2cccc3[nH]ccc32)CC1 ZINC000528765648 562346491 /nfs/dbraw/zinc/34/64/91/562346491.db2.gz VETKMCJMTUUTMD-HNNXBMFYSA-N 1 2 351.454 2.241 20 30 FEEDLO Cc1sc(NC(=O)C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)c(C#N)c1C ZINC000528781370 562347299 /nfs/dbraw/zinc/34/72/99/562347299.db2.gz GFWRYFRNTSTCAD-PSVOKBTDSA-N 1 2 351.497 2.161 20 30 FEEDLO Cc1sc(NC(=O)C[N@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)c(C#N)c1C ZINC000528781370 562347300 /nfs/dbraw/zinc/34/73/00/562347300.db2.gz GFWRYFRNTSTCAD-PSVOKBTDSA-N 1 2 351.497 2.161 20 30 FEEDLO C[N@@H+]1CC[C@@H](NC(=O)Cc2ccc(C#N)nc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000528930608 562353369 /nfs/dbraw/zinc/35/33/69/562353369.db2.gz INHWYVYQFAFOIW-MJGOQNOKSA-N 1 2 356.376 2.336 20 30 FEEDLO C[N@H+]1CC[C@@H](NC(=O)Cc2ccc(C#N)nc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000528930608 562353370 /nfs/dbraw/zinc/35/33/70/562353370.db2.gz INHWYVYQFAFOIW-MJGOQNOKSA-N 1 2 356.376 2.336 20 30 FEEDLO COc1cccc(OCC[NH+]2CCN(C(=O)C3(C#N)CC(C)C3)CC2)c1 ZINC000531721336 562454802 /nfs/dbraw/zinc/45/48/02/562454802.db2.gz SMMCQHLDVHALSC-UHFFFAOYSA-N 1 2 357.454 2.158 20 30 FEEDLO CC1CC(C#N)(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)C1 ZINC000532326537 562474066 /nfs/dbraw/zinc/47/40/66/562474066.db2.gz KMGAHPFHAAENJS-UHFFFAOYSA-N 1 2 355.438 2.042 20 30 FEEDLO N#Cc1cccc(-c2nnc(CN3CC[NH+](Cc4ccncc4)CC3)o2)c1 ZINC000535764245 562567241 /nfs/dbraw/zinc/56/72/41/562567241.db2.gz FAZPUIJKZSXZMJ-UHFFFAOYSA-N 1 2 360.421 2.321 20 30 FEEDLO N#Cc1c(F)cccc1OCC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000535894111 562570424 /nfs/dbraw/zinc/57/04/24/562570424.db2.gz YHRGBSMRWDFIPS-UHFFFAOYSA-N 1 2 359.426 2.482 20 30 FEEDLO C[C@@H]1CN(c2ccc(CNC(=O)N3CCC(CC#N)CC3)c[nH+]2)CCO1 ZINC000540991963 562599691 /nfs/dbraw/zinc/59/96/91/562599691.db2.gz SUXPXWDTCYEGKR-OAHLLOKOSA-N 1 2 357.458 2.142 20 30 FEEDLO C=C[C@@H](CC(=O)N[C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O)c1ccccc1 ZINC000541228388 562606521 /nfs/dbraw/zinc/60/65/21/562606521.db2.gz IHXFULDPGXEQGA-FUHWJXTLSA-N 1 2 366.465 2.387 20 30 FEEDLO C[C@H](OCCCNC(=O)C[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1)c1ccccc1 ZINC000602854408 568001851 /nfs/dbraw/zinc/00/18/51/568001851.db2.gz BTJDFUNUPTZWBG-OTWHNJEPSA-N 1 2 372.513 2.189 20 30 FEEDLO C[C@H](OCCCNC(=O)C[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1)c1ccccc1 ZINC000602854408 568001852 /nfs/dbraw/zinc/00/18/52/568001852.db2.gz BTJDFUNUPTZWBG-OTWHNJEPSA-N 1 2 372.513 2.189 20 30 FEEDLO C[C@@H](OCCCNC(=O)C[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1)c1ccccc1 ZINC000602854341 568001863 /nfs/dbraw/zinc/00/18/63/568001863.db2.gz BTJDFUNUPTZWBG-CEXWTWQISA-N 1 2 372.513 2.189 20 30 FEEDLO C[C@@H](OCCCNC(=O)C[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1)c1ccccc1 ZINC000602854341 568001865 /nfs/dbraw/zinc/00/18/65/568001865.db2.gz BTJDFUNUPTZWBG-CEXWTWQISA-N 1 2 372.513 2.189 20 30 FEEDLO C[C@H]1C[NH+](CC(=O)NCCCSc2ccccc2)C[C@H](C)N1CC#N ZINC000602855648 568002228 /nfs/dbraw/zinc/00/22/28/568002228.db2.gz IEXUTARJIMALGR-IRXDYDNUSA-N 1 2 360.527 2.203 20 30 FEEDLO COC(=O)c1ccc(OCC[NH+]2C[C@H](C)N(CC#N)[C@@H](C)C2)c(Cl)c1 ZINC000602855498 568002249 /nfs/dbraw/zinc/00/22/49/568002249.db2.gz HJBFPMQOIGYTOX-KBPBESRZSA-N 1 2 365.861 2.424 20 30 FEEDLO COC(=O)c1ccc(OCC[N@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)c(Cl)c1 ZINC000602855499 568002269 /nfs/dbraw/zinc/00/22/69/568002269.db2.gz HJBFPMQOIGYTOX-OKILXGFUSA-N 1 2 365.861 2.424 20 30 FEEDLO COC(=O)c1ccc(OCC[N@@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)c(Cl)c1 ZINC000602855499 568002270 /nfs/dbraw/zinc/00/22/70/568002270.db2.gz HJBFPMQOIGYTOX-OKILXGFUSA-N 1 2 365.861 2.424 20 30 FEEDLO C[C@H]1C[NH+](CC(=O)Nc2ccnn2CC2CCCCC2)C[C@H](C)N1CC#N ZINC000602865632 568008143 /nfs/dbraw/zinc/00/81/43/568008143.db2.gz UHWHZMYSTGTOAA-IRXDYDNUSA-N 1 2 372.517 2.320 20 30 FEEDLO Cc1cc(C)c(CCNC(=O)C[NH+]2C[C@@H](C)N(CC#N)[C@H](C)C2)c(C)c1 ZINC000602867157 568008343 /nfs/dbraw/zinc/00/83/43/568008343.db2.gz XNPXMNHLEJVYRY-RTBURBONSA-N 1 2 356.514 2.189 20 30 FEEDLO C[N@H+](CC(=O)N1CCC(C(=O)N2CCCCCC2)CC1)[C@H]1CCC[C@H]1C#N ZINC000602976161 568036084 /nfs/dbraw/zinc/03/60/84/568036084.db2.gz MBCYUIDXSFRBMI-OALUTQOASA-N 1 2 374.529 2.252 20 30 FEEDLO C[N@@H+](CC(=O)N1CCC(C(=O)N2CCCCCC2)CC1)[C@H]1CCC[C@H]1C#N ZINC000602976161 568036087 /nfs/dbraw/zinc/03/60/87/568036087.db2.gz MBCYUIDXSFRBMI-OALUTQOASA-N 1 2 374.529 2.252 20 30 FEEDLO C[N@H+](CC(=O)NCCc1cnn(-c2ccccc2)c1)[C@@H]1CCC[C@@H]1C#N ZINC000602980442 568037004 /nfs/dbraw/zinc/03/70/04/568037004.db2.gz QCTVNWZTYJAETG-IEBWSBKVSA-N 1 2 351.454 2.155 20 30 FEEDLO C[N@@H+](CC(=O)NCCc1cnn(-c2ccccc2)c1)[C@@H]1CCC[C@@H]1C#N ZINC000602980442 568037005 /nfs/dbraw/zinc/03/70/05/568037005.db2.gz QCTVNWZTYJAETG-IEBWSBKVSA-N 1 2 351.454 2.155 20 30 FEEDLO Cc1ccc(NC(=O)NC(=O)[C@@H](C)[N@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)c(C)c1 ZINC000602859972 568049302 /nfs/dbraw/zinc/04/93/02/568049302.db2.gz ZYXLYCZVTFDKOK-IXDOHACOSA-N 1 2 371.485 2.258 20 30 FEEDLO Cc1ccc(NC(=O)NC(=O)[C@@H](C)[N@@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)c(C)c1 ZINC000602859972 568049304 /nfs/dbraw/zinc/04/93/04/568049304.db2.gz ZYXLYCZVTFDKOK-IXDOHACOSA-N 1 2 371.485 2.258 20 30 FEEDLO Cc1ccc2ncc(C#N)c(N3CC[NH+]([C@@H](C)C(=O)NC4CC4)CC3)c2c1 ZINC000568581905 568064959 /nfs/dbraw/zinc/06/49/59/568064959.db2.gz QAGJZPHBVUKPSH-HNNXBMFYSA-N 1 2 363.465 2.204 20 30 FEEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@H](C)C(=O)N2CCc3sccc3C2)CC1 ZINC000609485178 568343625 /nfs/dbraw/zinc/34/36/25/568343625.db2.gz KUOYXCVXIUGSHD-WBVHZDCISA-N 1 2 360.527 2.187 20 30 FEEDLO N#Cc1cccc(OC2CCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)CC2)c1 ZINC000570725581 568509079 /nfs/dbraw/zinc/50/90/79/568509079.db2.gz VSUOQVUHIYKUKF-INIZCTEOSA-N 1 2 350.422 2.387 20 30 FEEDLO C[C@H]1C[N@H+](Cc2cn(CCC#N)nc2-c2ccncc2)CC[S@](=O)C1 ZINC000562427388 674754987 /nfs/dbraw/zinc/75/49/87/674754987.db2.gz BJQCEOAEJBIXEZ-MQNRADLISA-N 1 2 357.483 2.059 20 30 FEEDLO C[C@H]1C[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)CC[S@](=O)C1 ZINC000562427388 674754993 /nfs/dbraw/zinc/75/49/93/674754993.db2.gz BJQCEOAEJBIXEZ-MQNRADLISA-N 1 2 357.483 2.059 20 30 FEEDLO CC(=O)NCC[N@@H+](C)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000563083499 674847589 /nfs/dbraw/zinc/84/75/89/674847589.db2.gz OGQNEXHFZGUHEC-LBPRGKRZSA-N 1 2 362.499 2.284 20 30 FEEDLO CC(=O)NCC[N@H+](C)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000563083499 674847592 /nfs/dbraw/zinc/84/75/92/674847592.db2.gz OGQNEXHFZGUHEC-LBPRGKRZSA-N 1 2 362.499 2.284 20 30 FEEDLO C#CCNC(=O)CC[N@@H+](CC)[C@@H](C(=O)OCC)c1ccc(Cl)cc1 ZINC000815079167 674913349 /nfs/dbraw/zinc/91/33/49/674913349.db2.gz OJRVDPCGWMBPAS-QGZVFWFLSA-N 1 2 350.846 2.406 20 30 FEEDLO C#CCNC(=O)CC[N@H+](CC)[C@@H](C(=O)OCC)c1ccc(Cl)cc1 ZINC000815079167 674913351 /nfs/dbraw/zinc/91/33/51/674913351.db2.gz OJRVDPCGWMBPAS-QGZVFWFLSA-N 1 2 350.846 2.406 20 30 FEEDLO C=CCC(F)(F)C(=O)OCC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000815312888 674940762 /nfs/dbraw/zinc/94/07/62/674940762.db2.gz MZMLCKNXFWVKJU-UHFFFAOYSA-N 1 2 358.410 2.147 20 30 FEEDLO CC[C@@H]1[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CCN1c1ncc(C#N)cc1Cl ZINC001049022318 675021340 /nfs/dbraw/zinc/02/13/40/675021340.db2.gz PPJJZDOBTYLTEY-LSDHHAIUSA-N 1 2 358.833 2.046 20 30 FEEDLO C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C[C@H](C)n2cc[nH+]c2)cc1 ZINC000565055826 675090755 /nfs/dbraw/zinc/09/07/55/675090755.db2.gz ZQGMWNGMDIVZGV-AWEZNQCLSA-N 1 2 362.455 2.279 20 30 FEEDLO N#Cc1cc(S(=O)(=O)N2CC(n3cc[nH+]c3)C2)ccc1C(F)(F)F ZINC000577192528 671423405 /nfs/dbraw/zinc/42/34/05/671423405.db2.gz IKLVBLJPJVPEFU-UHFFFAOYSA-N 1 2 356.329 2.019 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)N[C@@H]2CCn3cc[nH+]c3C2)c(C(F)(F)F)c1 ZINC000584875158 672224194 /nfs/dbraw/zinc/22/41/94/672224194.db2.gz VTFGDQGTGVJOEW-LLVKDONJSA-N 1 2 370.356 2.067 20 30 FEEDLO CC[C@@H]1C[N@H+](CN2CC(=O)N(Cc3ccccc3C#N)C2=O)CCS1 ZINC000173505850 672352282 /nfs/dbraw/zinc/35/22/82/672352282.db2.gz HWCANLOYEBODFP-MRXNPFEDSA-N 1 2 358.467 2.107 20 30 FEEDLO CC[C@@H]1C[N@@H+](CN2CC(=O)N(Cc3ccccc3C#N)C2=O)CCS1 ZINC000173505850 672352283 /nfs/dbraw/zinc/35/22/83/672352283.db2.gz HWCANLOYEBODFP-MRXNPFEDSA-N 1 2 358.467 2.107 20 30 FEEDLO CCc1nc(CON=C(N)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cs1 ZINC000181851395 672432015 /nfs/dbraw/zinc/43/20/15/672432015.db2.gz VRMNZASXHPHMBH-INIZCTEOSA-N 1 2 360.483 2.395 20 30 FEEDLO CCc1nc(CON=C(N)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cs1 ZINC000181851395 672432017 /nfs/dbraw/zinc/43/20/17/672432017.db2.gz VRMNZASXHPHMBH-INIZCTEOSA-N 1 2 360.483 2.395 20 30 FEEDLO CC[N@@H+]1CCN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)C[C@H]1C ZINC000611083661 676016045 /nfs/dbraw/zinc/01/60/45/676016045.db2.gz RUUIPEZFYHLGOH-LLVKDONJSA-N 1 2 361.389 2.292 20 30 FEEDLO CC[N@H+]1CCN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)C[C@H]1C ZINC000611083661 676016047 /nfs/dbraw/zinc/01/60/47/676016047.db2.gz RUUIPEZFYHLGOH-LLVKDONJSA-N 1 2 361.389 2.292 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H]2COc3c2cccc3Cl)nc1 ZINC000591753764 672707990 /nfs/dbraw/zinc/70/79/90/672707990.db2.gz JPFJVVNGYSLIMP-AWEZNQCLSA-N 1 2 363.826 2.104 20 30 FEEDLO COc1ccc(C(N)=[NH+]OCC(=O)N2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000193576385 672729076 /nfs/dbraw/zinc/72/90/76/672729076.db2.gz QWGQKOMVNWSPMY-LBPRGKRZSA-N 1 2 359.348 2.133 20 30 FEEDLO CO[C@H](CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(F)(F)F ZINC000593388690 672916901 /nfs/dbraw/zinc/91/69/01/672916901.db2.gz JBSNFOBMKXJRQQ-OAHLLOKOSA-N 1 2 355.360 2.170 20 30 FEEDLO C[C@H](CNS(=O)(=O)c1ccsc1C#N)[N@@H+]1CCc2ccccc2C1 ZINC000593528993 672934461 /nfs/dbraw/zinc/93/44/61/672934461.db2.gz INFMODLYAUACNS-CYBMUJFWSA-N 1 2 361.492 2.345 20 30 FEEDLO C[C@H](CNS(=O)(=O)c1ccsc1C#N)[N@H+]1CCc2ccccc2C1 ZINC000593528993 672934463 /nfs/dbraw/zinc/93/44/63/672934463.db2.gz INFMODLYAUACNS-CYBMUJFWSA-N 1 2 361.492 2.345 20 30 FEEDLO CC1(C)C[N@H+](CCNC(=O)N2CCOc3cccc(F)c3C2)CCO1 ZINC000328730745 673065813 /nfs/dbraw/zinc/06/58/13/673065813.db2.gz IBMCXDSFMZWKFO-UHFFFAOYSA-N 1 2 351.422 2.045 20 30 FEEDLO CC1(C)C[N@@H+](CCNC(=O)N2CCOc3cccc(F)c3C2)CCO1 ZINC000328730745 673065816 /nfs/dbraw/zinc/06/58/16/673065816.db2.gz IBMCXDSFMZWKFO-UHFFFAOYSA-N 1 2 351.422 2.045 20 30 FEEDLO CC[N@@H+]1C[C@H](C)N(C(=O)N[C@@H]2CCS(=O)(=O)c3ccccc32)C[C@H]1C ZINC000329056198 673071606 /nfs/dbraw/zinc/07/16/06/673071606.db2.gz SOAOYOUPZHFTRN-IJEWVQPXSA-N 1 2 365.499 2.234 20 30 FEEDLO CC[N@H+]1C[C@H](C)N(C(=O)N[C@@H]2CCS(=O)(=O)c3ccccc32)C[C@H]1C ZINC000329056198 673071611 /nfs/dbraw/zinc/07/16/11/673071611.db2.gz SOAOYOUPZHFTRN-IJEWVQPXSA-N 1 2 365.499 2.234 20 30 FEEDLO Cc1cc(C#N)ccc1S(=O)(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000595394382 673241244 /nfs/dbraw/zinc/24/12/44/673241244.db2.gz WJCYMBXVZMCUDV-GOSISDBHSA-N 1 2 355.463 2.420 20 30 FEEDLO Cc1cc(C#N)ccc1S(=O)(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000595394382 673241248 /nfs/dbraw/zinc/24/12/48/673241248.db2.gz WJCYMBXVZMCUDV-GOSISDBHSA-N 1 2 355.463 2.420 20 30 FEEDLO N#CC[C@@H]1CCC[N@@H+](CC(=O)Nc2cc(Cl)ccc2-n2cncn2)C1 ZINC000595614427 673273462 /nfs/dbraw/zinc/27/34/62/673273462.db2.gz HUCVMGCEAQTDDP-ZDUSSCGKSA-N 1 2 358.833 2.485 20 30 FEEDLO N#CC[C@@H]1CCC[N@H+](CC(=O)Nc2cc(Cl)ccc2-n2cncn2)C1 ZINC000595614427 673273466 /nfs/dbraw/zinc/27/34/66/673273466.db2.gz HUCVMGCEAQTDDP-ZDUSSCGKSA-N 1 2 358.833 2.485 20 30 FEEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C)C[C@@H]1COCCO1 ZINC000595737061 673287248 /nfs/dbraw/zinc/28/72/48/673287248.db2.gz PWVAZJUOJQESCG-LSDHHAIUSA-N 1 2 363.483 2.367 20 30 FEEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C)C[C@@H]1COCCO1 ZINC000595737061 673287250 /nfs/dbraw/zinc/28/72/50/673287250.db2.gz PWVAZJUOJQESCG-LSDHHAIUSA-N 1 2 363.483 2.367 20 30 FEEDLO C=CCN1C(=S)N=NC1c1sc(NC(=O)Cn2cc[nH+]c2)nc1C ZINC000742252978 673716092 /nfs/dbraw/zinc/71/60/92/673716092.db2.gz RHLNVOBTWDMRPU-UHFFFAOYSA-N 1 2 361.456 2.020 20 30 FEEDLO C[C@@](O)(C1CC[NH+](CC(=O)NC2(C#N)CCCCC2)CC1)C(F)(F)F ZINC000545224964 673752764 /nfs/dbraw/zinc/75/27/64/673752764.db2.gz ZMCHHDLYEXKHNJ-OAHLLOKOSA-N 1 2 361.408 2.354 20 30 FEEDLO Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000601370661 673849865 /nfs/dbraw/zinc/84/98/65/673849865.db2.gz UGIUWHQTDPKOJD-MLGOLLRUSA-N 1 2 362.430 2.474 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cc(Cl)ccc1OCC#N ZINC000746478062 673880851 /nfs/dbraw/zinc/88/08/51/673880851.db2.gz MSFYDFVYGVHAIB-UHFFFAOYSA-N 1 2 362.861 2.290 20 30 FEEDLO C[N@@H+]1CCO[C@@H]([C@@H](NC(=O)NCC2(C#N)CC2)c2ccc(Cl)cc2)C1 ZINC000567668600 675310679 /nfs/dbraw/zinc/31/06/79/675310679.db2.gz NZBFMQYROGQJRT-CVEARBPZSA-N 1 2 362.861 2.315 20 30 FEEDLO C[N@H+]1CCO[C@@H]([C@@H](NC(=O)NCC2(C#N)CC2)c2ccc(Cl)cc2)C1 ZINC000567668600 675310681 /nfs/dbraw/zinc/31/06/81/675310681.db2.gz NZBFMQYROGQJRT-CVEARBPZSA-N 1 2 362.861 2.315 20 30 FEEDLO COc1cc(Br)cc(OC)c1OC[C@@H](O)C[N@H+](C)CCC#N ZINC000568853056 675405443 /nfs/dbraw/zinc/40/54/43/675405443.db2.gz XRPQGCUXAGTROO-LBPRGKRZSA-N 1 2 373.247 2.051 20 30 FEEDLO COc1cc(Br)cc(OC)c1OC[C@@H](O)C[N@@H+](C)CCC#N ZINC000568853056 675405445 /nfs/dbraw/zinc/40/54/45/675405445.db2.gz XRPQGCUXAGTROO-LBPRGKRZSA-N 1 2 373.247 2.051 20 30 FEEDLO C[C@@H](NC(=O)NCc1ccc(C#N)c(Cl)c1)[C@@H](C)[NH+]1CCOCC1 ZINC000619758849 676393782 /nfs/dbraw/zinc/39/37/82/676393782.db2.gz PXTAPNPINWKTIY-CHWSQXEVSA-N 1 2 350.850 2.120 20 30 FEEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)nn1 ZINC000648840186 677321498 /nfs/dbraw/zinc/32/14/98/677321498.db2.gz GCVJDVUAUZSNOM-HOCLYGCPSA-N 1 2 363.824 2.432 20 30 FEEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)nn1 ZINC000648840186 677321499 /nfs/dbraw/zinc/32/14/99/677321499.db2.gz GCVJDVUAUZSNOM-HOCLYGCPSA-N 1 2 363.824 2.432 20 30 FEEDLO C=CC[C@@H]1CCCN(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000660447000 678341115 /nfs/dbraw/zinc/34/11/15/678341115.db2.gz JZSXNHFLAKQEPN-SJLPKXTDSA-N 1 2 353.532 2.192 20 30 FEEDLO O=C(NC1CC[NH+](CC#Cc2ccccc2Cl)CC1)N1CCOCC1 ZINC000660859099 678397706 /nfs/dbraw/zinc/39/77/06/678397706.db2.gz HDILZHMQKPUQAY-UHFFFAOYSA-N 1 2 361.873 2.198 20 30 FEEDLO C=CC[C@H]1CCC[N@@H+](CC(=O)N(CCCC)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000661377645 678472774 /nfs/dbraw/zinc/47/27/74/678472774.db2.gz RBOWCKTUQWZICS-DLBZAZTESA-N 1 2 356.532 2.090 20 30 FEEDLO C=CC[C@H]1CCC[N@H+](CC(=O)N(CCCC)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000661377645 678472776 /nfs/dbraw/zinc/47/27/76/678472776.db2.gz RBOWCKTUQWZICS-DLBZAZTESA-N 1 2 356.532 2.090 20 30 FEEDLO C=C(Cl)C(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1[nH]c[nH+]c1C)C2 ZINC000999013708 680394452 /nfs/dbraw/zinc/39/44/52/680394452.db2.gz SYOUWGVLRPAQOV-SNPRPXQTSA-N 1 2 364.877 2.287 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC(C[N@@H+](C)Cc2nncs2)CC1 ZINC001030003180 680396247 /nfs/dbraw/zinc/39/62/47/680396247.db2.gz XYPHMHGGFJZFNX-RDJZCZTQSA-N 1 2 364.515 2.190 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC(C[N@H+](C)Cc2nncs2)CC1 ZINC001030003180 680396251 /nfs/dbraw/zinc/39/62/51/680396251.db2.gz XYPHMHGGFJZFNX-RDJZCZTQSA-N 1 2 364.515 2.190 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccc(F)c(F)c2)C1 ZINC001032046868 680412046 /nfs/dbraw/zinc/41/20/46/680412046.db2.gz GBBAUJLFMNOCCJ-YJBOKZPZSA-N 1 2 350.409 2.494 20 30 FEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2snnc2C)C1 ZINC001033497433 680424579 /nfs/dbraw/zinc/42/45/79/680424579.db2.gz WKYVGVYROVKNFQ-VYDXJSESSA-N 1 2 364.515 2.251 20 30 FEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2snnc2C)C1 ZINC001033497433 680424580 /nfs/dbraw/zinc/42/45/80/680424580.db2.gz WKYVGVYROVKNFQ-VYDXJSESSA-N 1 2 364.515 2.251 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCc1ccc(C[NH2+]Cc2csnn2)cc1 ZINC001034829754 680440640 /nfs/dbraw/zinc/44/06/40/680440640.db2.gz VGAYGRSDASCFRO-SJORKVTESA-N 1 2 358.467 2.035 20 30 FEEDLO Cc1nc(CON=C(N)c2ccc(C[NH+]3CCOCC3)cc2)sc1C ZINC000755944373 680447315 /nfs/dbraw/zinc/44/73/15/680447315.db2.gz YHZYCURSBOHOOE-UHFFFAOYSA-N 1 2 360.483 2.429 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([N@H+](C)Cc2nnc(C)s2)CC1 ZINC000985436141 680447775 /nfs/dbraw/zinc/44/77/75/680447775.db2.gz WHJAEZDUZINWSH-CVEARBPZSA-N 1 2 364.515 2.251 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([N@@H+](C)Cc2nnc(C)s2)CC1 ZINC000985436141 680447777 /nfs/dbraw/zinc/44/77/77/680447777.db2.gz WHJAEZDUZINWSH-CVEARBPZSA-N 1 2 364.515 2.251 20 30 FEEDLO C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1Nc1ncc(C#N)cc1Cl ZINC001043164410 680563723 /nfs/dbraw/zinc/56/37/23/680563723.db2.gz RUUBLBDJTZAEJC-BXUZGUMPSA-N 1 2 358.833 2.221 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CC[NH+]([C@H](C)c2nnc(C)s2)CC1 ZINC001006016180 680590296 /nfs/dbraw/zinc/59/02/96/680590296.db2.gz MVXKGIFLJXPCGP-WQVCFCJDSA-N 1 2 364.515 2.421 20 30 FEEDLO C=C(Br)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 ZINC001046498025 680649687 /nfs/dbraw/zinc/64/96/87/680649687.db2.gz GFXMBQBXBZLWME-TTZDDIAXSA-N 1 2 357.292 2.291 20 30 FEEDLO C=C(Br)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 ZINC001046498025 680649689 /nfs/dbraw/zinc/64/96/89/680649689.db2.gz GFXMBQBXBZLWME-TTZDDIAXSA-N 1 2 357.292 2.291 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2Cc1nnc(C)s1 ZINC001049733630 681038123 /nfs/dbraw/zinc/03/81/23/681038123.db2.gz ZDLGWFPLEZYLRB-WCVJEAGWSA-N 1 2 362.499 2.003 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2Cc1nnc(C)s1 ZINC001049733630 681038124 /nfs/dbraw/zinc/03/81/24/681038124.db2.gz ZDLGWFPLEZYLRB-WCVJEAGWSA-N 1 2 362.499 2.003 20 30 FEEDLO S=C(NCc1ccc2c(c1)OCO2)NN=Cc1cccc2[nH+]ccn21 ZINC000771087009 681041737 /nfs/dbraw/zinc/04/17/37/681041737.db2.gz CNQKPDUNRYTKDU-UHFFFAOYSA-N 1 2 353.407 2.061 20 30 FEEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCN(c2nc(Cl)c(C#N)s2)[C@@H]1C ZINC001050503049 681048776 /nfs/dbraw/zinc/04/87/76/681048776.db2.gz XFYJEWYSTMPKAG-ZJUUUORDSA-N 1 2 364.862 2.026 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2nnc(CC)s2)CC1 ZINC001052723484 681084422 /nfs/dbraw/zinc/08/44/22/681084422.db2.gz SBZIHISEKDFDSD-ZNMIVQPWSA-N 1 2 364.515 2.162 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2nnc(CC)s2)CC1 ZINC001052723484 681084424 /nfs/dbraw/zinc/08/44/24/681084424.db2.gz SBZIHISEKDFDSD-ZNMIVQPWSA-N 1 2 364.515 2.162 20 30 FEEDLO C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1CNc1nc(C#N)c(Cl)s1 ZINC001054440932 681109777 /nfs/dbraw/zinc/10/97/77/681109777.db2.gz YRWLOKKARXEUEP-NXEZZACHSA-N 1 2 364.862 2.140 20 30 FEEDLO C[C@H](C[NH+]1CCOCC1)OC(=O)Cc1ccc(Br)cc1C#N ZINC000845329907 681118563 /nfs/dbraw/zinc/11/85/63/681118563.db2.gz IDVDRMPETXUMKR-GFCCVEGCSA-N 1 2 367.243 2.127 20 30 FEEDLO C[C@@H](C(=O)NC(=O)NCc1ccccc1)[N@H+](C)Cc1cc(C#N)cs1 ZINC000933774658 681466883 /nfs/dbraw/zinc/46/68/83/681466883.db2.gz BSCLTYOOAGOFHR-ZDUSSCGKSA-N 1 2 356.451 2.466 20 30 FEEDLO C[C@@H](C(=O)NC(=O)NCc1ccccc1)[N@@H+](C)Cc1cc(C#N)cs1 ZINC000933774658 681466885 /nfs/dbraw/zinc/46/68/85/681466885.db2.gz BSCLTYOOAGOFHR-ZDUSSCGKSA-N 1 2 356.451 2.466 20 30 FEEDLO C=C(Cl)C(C)(C)C(=O)N1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000938181308 681932137 /nfs/dbraw/zinc/93/21/37/681932137.db2.gz OHHCIEJFOVYWSE-YNEHKIRRSA-N 1 2 350.850 2.009 20 30 FEEDLO C=C(Cl)C(C)(C)C(=O)N1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000938181308 681932142 /nfs/dbraw/zinc/93/21/42/681932142.db2.gz OHHCIEJFOVYWSE-YNEHKIRRSA-N 1 2 350.850 2.009 20 30 FEEDLO CO[C@@H](C)c1noc(CO[NH+]=C(N)c2ccc(Br)cc2)n1 ZINC000782949500 682097899 /nfs/dbraw/zinc/09/78/99/682097899.db2.gz WEIBIZDNXKVYCT-QMMMGPOBSA-N 1 2 355.192 2.377 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](Cc2ccc(F)cc2F)C1 ZINC000970446339 682298623 /nfs/dbraw/zinc/29/86/23/682298623.db2.gz DDSIUHMTLAOFEY-XZOAIXRZSA-N 1 2 350.409 2.492 20 30 FEEDLO C#CCC[N@@H+](CCOC)CC(=O)Nc1sc(C)c(C)c1C(=O)OC ZINC000852751638 682335479 /nfs/dbraw/zinc/33/54/79/682335479.db2.gz CBFNXHSNZYJJOG-UHFFFAOYSA-N 1 2 352.456 2.062 20 30 FEEDLO C#CCC[N@H+](CCOC)CC(=O)Nc1sc(C)c(C)c1C(=O)OC ZINC000852751638 682335481 /nfs/dbraw/zinc/33/54/81/682335481.db2.gz CBFNXHSNZYJJOG-UHFFFAOYSA-N 1 2 352.456 2.062 20 30 FEEDLO COC(=O)NC1CC[NH+]([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000852767525 682340319 /nfs/dbraw/zinc/34/03/19/682340319.db2.gz DQUDNZPKTURQBM-LLVKDONJSA-N 1 2 364.833 2.359 20 30 FEEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@]23CCC[C@H]2OCC3)C1 ZINC000971925300 682380741 /nfs/dbraw/zinc/38/07/41/682380741.db2.gz UXYPZEPXFWFYPR-FMKPAKJESA-N 1 2 357.292 2.387 20 30 FEEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)[C@]23CCC[C@H]2OCC3)C1 ZINC000971925300 682380746 /nfs/dbraw/zinc/38/07/46/682380746.db2.gz UXYPZEPXFWFYPR-FMKPAKJESA-N 1 2 357.292 2.387 20 30 FEEDLO CC[C@H](NC(=O)[C@H](C#N)C(=O)C[N@H+](C)[C@@H]1CCSC1)c1ccccc1 ZINC000787032007 682431461 /nfs/dbraw/zinc/43/14/61/682431461.db2.gz OERHUFBXGAUPQZ-ZACQAIPSSA-N 1 2 359.495 2.400 20 30 FEEDLO CC[C@H](NC(=O)[C@H](C#N)C(=O)C[N@@H+](C)[C@@H]1CCSC1)c1ccccc1 ZINC000787032007 682431463 /nfs/dbraw/zinc/43/14/63/682431463.db2.gz OERHUFBXGAUPQZ-ZACQAIPSSA-N 1 2 359.495 2.400 20 30 FEEDLO N#Cc1ncc(Br)cc1N1CC[NH+](Cc2cccnc2)CC1 ZINC000787895432 682488302 /nfs/dbraw/zinc/48/83/02/682488302.db2.gz XRFZLCYQOIWZJQ-UHFFFAOYSA-N 1 2 358.243 2.433 20 30 FEEDLO C#CCSCCNC(=O)N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000858242116 682948169 /nfs/dbraw/zinc/94/81/69/682948169.db2.gz CWKZZQWCHTUDEY-UHFFFAOYSA-N 1 2 356.495 2.362 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)N2CCC(Nc3cccc[nH+]3)CC2)c(F)c1 ZINC000920625208 683356651 /nfs/dbraw/zinc/35/66/51/683356651.db2.gz KJCQJTHSAJNDRY-UHFFFAOYSA-N 1 2 360.414 2.358 20 30 FEEDLO C=CCN1CC[C@H]([N@H+](C)Cn2ncc3c2cccc3Br)C1=O ZINC000799143342 683426708 /nfs/dbraw/zinc/42/67/08/683426708.db2.gz MCASNERQVGXSQC-HNNXBMFYSA-N 1 2 363.259 2.475 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+](C)Cn2ncc3c2cccc3Br)C1=O ZINC000799143342 683426710 /nfs/dbraw/zinc/42/67/10/683426710.db2.gz MCASNERQVGXSQC-HNNXBMFYSA-N 1 2 363.259 2.475 20 30 FEEDLO C#CCC[C@@H](O)CNC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000799181426 683434280 /nfs/dbraw/zinc/43/42/80/683434280.db2.gz JXAVPOHFNBSBJR-DZGCQCFKSA-N 1 2 350.488 2.271 20 30 FEEDLO C#CCC[C@@H](O)CNC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000799181426 683434287 /nfs/dbraw/zinc/43/42/87/683434287.db2.gz JXAVPOHFNBSBJR-DZGCQCFKSA-N 1 2 350.488 2.271 20 30 FEEDLO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3nc(Br)c[nH]3)C2=O)cc1 ZINC000921979913 683630507 /nfs/dbraw/zinc/63/05/07/683630507.db2.gz HSBFOHINCLSAQG-CYBMUJFWSA-N 1 2 374.242 2.329 20 30 FEEDLO COC(=O)c1ccc(C=NNCCCn2cc[nH+]c2)cc1Br ZINC000872386754 684942703 /nfs/dbraw/zinc/94/27/03/684942703.db2.gz ACAGPOFUTPDZIJ-UHFFFAOYSA-N 1 2 365.231 2.446 20 30 FEEDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)NCc1ccc(C#N)c(Cl)c1 ZINC000875565779 686039630 /nfs/dbraw/zinc/03/96/30/686039630.db2.gz LTAXYSXOCKLVCP-OAHLLOKOSA-N 1 2 350.850 2.122 20 30 FEEDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)NCc1ccc(C#N)c(Cl)c1 ZINC000875565779 686039632 /nfs/dbraw/zinc/03/96/32/686039632.db2.gz LTAXYSXOCKLVCP-OAHLLOKOSA-N 1 2 350.850 2.122 20 30 FEEDLO COC(=O)C1=NO[C@]2(CC[N@H+](Cc3cc(Cl)ccc3OCC#N)C2)C1 ZINC000879482019 686832355 /nfs/dbraw/zinc/83/23/55/686832355.db2.gz LLKGBIDBOHGSSO-QGZVFWFLSA-N 1 2 363.801 2.136 20 30 FEEDLO COC(=O)C1=NO[C@]2(CC[N@@H+](Cc3cc(Cl)ccc3OCC#N)C2)C1 ZINC000879482019 686832359 /nfs/dbraw/zinc/83/23/59/686832359.db2.gz LLKGBIDBOHGSSO-QGZVFWFLSA-N 1 2 363.801 2.136 20 30 FEEDLO C#CCC1(O)CC[NH+](CC(=O)Nc2ccc(Br)cc2F)CC1 ZINC000880480494 687052342 /nfs/dbraw/zinc/05/23/42/687052342.db2.gz UYAAUAJPRYOXMT-UHFFFAOYSA-N 1 2 369.234 2.377 20 30 FEEDLO C=C(C)C[C@H](CO)NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000883570041 687670605 /nfs/dbraw/zinc/67/06/05/687670605.db2.gz REZISDVKYQHVQF-XOKHGSTOSA-N 1 2 353.413 2.336 20 30 FEEDLO C=C(C)C[C@H](CO)NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000883570041 687670607 /nfs/dbraw/zinc/67/06/07/687670607.db2.gz REZISDVKYQHVQF-XOKHGSTOSA-N 1 2 353.413 2.336 20 30 FEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCc2c(Cl)c(Cl)ccc2C1 ZINC000884120579 687793927 /nfs/dbraw/zinc/79/39/27/687793927.db2.gz OXRAASDETUVDJM-ZDUSSCGKSA-N 1 2 357.237 2.325 20 30 FEEDLO C#CCN(C(=O)c1cc(Br)c(F)cc1O)C1CC[NH+](C)CC1 ZINC000886575689 688278646 /nfs/dbraw/zinc/27/86/46/688278646.db2.gz FZTRGGKMIJEOQU-UHFFFAOYSA-N 1 2 369.234 2.463 20 30 FEEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000891605281 689082560 /nfs/dbraw/zinc/08/25/60/689082560.db2.gz BCZYJBMTGVRAAG-LBPRGKRZSA-N 1 2 354.237 2.146 20 30 FEEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000891605281 689082564 /nfs/dbraw/zinc/08/25/64/689082564.db2.gz BCZYJBMTGVRAAG-LBPRGKRZSA-N 1 2 354.237 2.146 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccccc1OCC(F)F ZINC000893864033 689419426 /nfs/dbraw/zinc/41/94/26/689419426.db2.gz PWDSGNHBAWVOPK-UHFFFAOYSA-N 1 2 353.413 2.378 20 30 FEEDLO C=CCOc1c(Cl)cc(C[N@H+]2CC[C@](O)(C(=O)OC)C2)cc1OC ZINC000895702514 689757217 /nfs/dbraw/zinc/75/72/17/689757217.db2.gz PNUUFUJDIMWEHK-QGZVFWFLSA-N 1 2 355.818 2.023 20 30 FEEDLO C=CCOc1c(Cl)cc(C[N@@H+]2CC[C@](O)(C(=O)OC)C2)cc1OC ZINC000895702514 689757222 /nfs/dbraw/zinc/75/72/22/689757222.db2.gz PNUUFUJDIMWEHK-QGZVFWFLSA-N 1 2 355.818 2.023 20 30 FEEDLO CC(C)(C)OC(=O)N[C@@]1(CO)CCC[N@H+](Cc2csc(C#N)c2)C1 ZINC000896979055 689957934 /nfs/dbraw/zinc/95/79/34/689957934.db2.gz CGIBPDMHWNYMTK-KRWDZBQOSA-N 1 2 351.472 2.471 20 30 FEEDLO CC(C)(C)OC(=O)N[C@@]1(CO)CCC[N@@H+](Cc2csc(C#N)c2)C1 ZINC000896979055 689957937 /nfs/dbraw/zinc/95/79/37/689957937.db2.gz CGIBPDMHWNYMTK-KRWDZBQOSA-N 1 2 351.472 2.471 20 30 FEEDLO Cc1c(C#N)cccc1NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000526064119 828813321 /nfs/dbraw/zinc/81/33/21/828813321.db2.gz MVSDZJCTDRXNKK-UHFFFAOYSA-N 1 2 354.414 2.039 20 30 FEEDLO N#Cc1ccc(NC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)cc1Cl ZINC000526060696 828821158 /nfs/dbraw/zinc/82/11/58/828821158.db2.gz ODKRLIJIKNARQM-UHFFFAOYSA-N 1 2 374.832 2.384 20 30 FEEDLO Cc1noc(C)c1S(=O)(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000010762777 539520264 /nfs/dbraw/zinc/52/02/64/539520264.db2.gz JOGVWKZDUZZGEC-UHFFFAOYSA-N 1 2 374.466 2.060 20 30 FEEDLO Cc1noc(C)c1S(=O)(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000010762777 539520269 /nfs/dbraw/zinc/52/02/69/539520269.db2.gz JOGVWKZDUZZGEC-UHFFFAOYSA-N 1 2 374.466 2.060 20 30 FEEDLO Cn1cc[nH+]c1[C@@H](NS(=O)(=O)c1cccc(C#N)c1)c1ccc(F)cc1 ZINC000016975775 539638690 /nfs/dbraw/zinc/63/86/90/539638690.db2.gz WDATWSMQRSYNLV-KRWDZBQOSA-N 1 2 370.409 2.499 20 30 FEEDLO C=CC[N@@H+](CC(=O)N1CCC[C@H](C(N)=O)C1)Cc1ccc(Cl)s1 ZINC000020942648 539679199 /nfs/dbraw/zinc/67/91/99/539679199.db2.gz PFNNMPBLNVCTCE-LBPRGKRZSA-N 1 2 355.891 2.113 20 30 FEEDLO C=CC[N@H+](CC(=O)N1CCC[C@H](C(N)=O)C1)Cc1ccc(Cl)s1 ZINC000020942648 539679200 /nfs/dbraw/zinc/67/92/00/539679200.db2.gz PFNNMPBLNVCTCE-LBPRGKRZSA-N 1 2 355.891 2.113 20 30 FEEDLO COc1ccc(C)cc1C[NH+]1CCN(CC(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000022800893 539699822 /nfs/dbraw/zinc/69/98/22/539699822.db2.gz CPBXTFLTOKOAOS-OAQYLSRUSA-N 1 2 372.513 2.176 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C[C@@H](O)COc3ccc(F)cc3)CC2)cc1 ZINC000025226833 539752018 /nfs/dbraw/zinc/75/20/18/539752018.db2.gz CZKLHCRBOAGCHU-HXUWFJFHSA-N 1 2 369.440 2.255 20 30 FEEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)C[C@H](C)[N@@H+]1C ZINC000549926781 674072830 /nfs/dbraw/zinc/07/28/30/674072830.db2.gz SCFGRVHIKDNPTF-PHIMTYICSA-N 1 2 361.389 2.290 20 30 FEEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)C[C@H](C)[N@H+]1C ZINC000549926781 674072828 /nfs/dbraw/zinc/07/28/28/674072828.db2.gz SCFGRVHIKDNPTF-PHIMTYICSA-N 1 2 361.389 2.290 20 30 FEEDLO CCC[N@H+](CC(=O)Nc1ccccc1C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000031003117 539896375 /nfs/dbraw/zinc/89/63/75/539896375.db2.gz ZBLOTNAVPSZFOE-HXUWFJFHSA-N 1 2 356.470 2.454 20 30 FEEDLO CCC[N@@H+](CC(=O)Nc1ccccc1C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000031003117 539896378 /nfs/dbraw/zinc/89/63/78/539896378.db2.gz ZBLOTNAVPSZFOE-HXUWFJFHSA-N 1 2 356.470 2.454 20 30 FEEDLO Cc1cccc(C[NH+]2CCN(S(=O)(=O)c3cccc(C#N)c3)CC2)c1 ZINC000032513974 539942713 /nfs/dbraw/zinc/94/27/13/539942713.db2.gz XRLTUPMPDFKROS-UHFFFAOYSA-N 1 2 355.463 2.373 20 30 FEEDLO C#Cc1cccc(NC(=O)N2CC[NH+](CC(=O)N3CCCC[C@H]3C)CC2)c1 ZINC000043983586 540116556 /nfs/dbraw/zinc/11/65/56/540116556.db2.gz KINNVKKJQCXZIV-QGZVFWFLSA-N 1 2 368.481 2.218 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCc3cccc(C#N)c3)CC2)cc1 ZINC000046040725 540239117 /nfs/dbraw/zinc/23/91/17/540239117.db2.gz PWKOEBNAYHEDTJ-UHFFFAOYSA-N 1 2 359.433 2.457 20 30 FEEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000047744906 540326715 /nfs/dbraw/zinc/32/67/15/540326715.db2.gz AGQUUPAHKQNZDR-INIZCTEOSA-N 1 2 358.442 2.306 20 30 FEEDLO N#Cc1cccc(OCC[NH+]2CCN(CC(=O)Nc3ccccc3)CC2)c1 ZINC000051180734 540425293 /nfs/dbraw/zinc/42/52/93/540425293.db2.gz BLJIZQHTIRTZCS-UHFFFAOYSA-N 1 2 364.449 2.193 20 30 FEEDLO CCN(C[C@H](C)C#N)C(=O)CN1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000052217232 540459065 /nfs/dbraw/zinc/45/90/65/540459065.db2.gz GEKKWZWOMPMYOE-MRXNPFEDSA-N 1 2 372.517 2.039 20 30 FEEDLO CC(=O)N1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)CC1 ZINC000054423725 540589934 /nfs/dbraw/zinc/58/99/34/540589934.db2.gz ZFLZPARUJKQVRK-CYBMUJFWSA-N 1 2 374.510 2.237 20 30 FEEDLO N#CCCN(CCC#N)C(=O)C[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC000054984042 540619850 /nfs/dbraw/zinc/61/98/50/540619850.db2.gz MNZHHERREFOPET-UHFFFAOYSA-N 1 2 352.438 2.237 20 30 FEEDLO N#Cc1ccccc1COc1cccc(C(=O)NCC[NH+]2CCOCC2)c1 ZINC000055114503 540629230 /nfs/dbraw/zinc/62/92/30/540629230.db2.gz CYFKSICSFCBSOD-UHFFFAOYSA-N 1 2 365.433 2.199 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCC(NC(=O)Nc2ccccc2)CC1 ZINC000055030473 540622676 /nfs/dbraw/zinc/62/26/76/540622676.db2.gz GJJLUPVXYXGRTO-HXUWFJFHSA-N 1 2 371.485 2.327 20 30 FEEDLO N#Cc1ccccc1N1CCCN(C(=O)NCCCCn2cc[nH+]c2)CC1 ZINC000057374586 540792127 /nfs/dbraw/zinc/79/21/27/540792127.db2.gz QCKDDARGBBAJCD-UHFFFAOYSA-N 1 2 366.469 2.457 20 30 FEEDLO C[C@H](c1nc2ccccc2c(=O)[nH]1)[N@@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000064634021 541213197 /nfs/dbraw/zinc/21/31/97/541213197.db2.gz ZTQGIZMILUYPIH-OAHLLOKOSA-N 1 2 374.448 2.463 20 30 FEEDLO C[C@H](c1nc2ccccc2c(=O)[nH]1)[N@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000064634021 541213200 /nfs/dbraw/zinc/21/32/00/541213200.db2.gz ZTQGIZMILUYPIH-OAHLLOKOSA-N 1 2 374.448 2.463 20 30 FEEDLO N#Cc1cccnc1N1CCC[N@H+](Cc2cnn(-c3ccccc3)n2)CC1 ZINC000064634803 541213963 /nfs/dbraw/zinc/21/39/63/541213963.db2.gz HMBCAZHJTMQLIJ-UHFFFAOYSA-N 1 2 359.437 2.246 20 30 FEEDLO N#Cc1cccnc1N1CCC[N@@H+](Cc2cnn(-c3ccccc3)n2)CC1 ZINC000064634803 541213966 /nfs/dbraw/zinc/21/39/66/541213966.db2.gz HMBCAZHJTMQLIJ-UHFFFAOYSA-N 1 2 359.437 2.246 20 30 FEEDLO N#Cc1c(F)cccc1N1CC[NH+](CCNC(=O)c2ccccc2F)CC1 ZINC000066467848 541322089 /nfs/dbraw/zinc/32/20/89/541322089.db2.gz JBGPEMRHPCPXJH-UHFFFAOYSA-N 1 2 370.403 2.388 20 30 FEEDLO C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000066437807 541318140 /nfs/dbraw/zinc/31/81/40/541318140.db2.gz AQAPMWDSESDEKN-AEFFLSMTSA-N 1 2 355.486 2.160 20 30 FEEDLO C[C@@H]1CCCC[C@@H]1NC(=O)C[N@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000066437807 541318144 /nfs/dbraw/zinc/31/81/44/541318144.db2.gz AQAPMWDSESDEKN-AEFFLSMTSA-N 1 2 355.486 2.160 20 30 FEEDLO Cn1ncc2c1nc[nH+]c2N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000068769055 541626365 /nfs/dbraw/zinc/62/63/65/541626365.db2.gz LEJKMQOEEINJMY-ZDUSSCGKSA-N 1 2 351.389 2.455 20 30 FEEDLO C=CC[N@@H+](CC(=O)N1CCCC[C@@H]1C(=O)OCC)Cc1cccc(C#N)c1 ZINC000068827094 541632739 /nfs/dbraw/zinc/63/27/39/541632739.db2.gz IOUZRDDLMRPNML-LJQANCHMSA-N 1 2 369.465 2.490 20 30 FEEDLO C=CC[N@H+](CC(=O)N1CCCC[C@@H]1C(=O)OCC)Cc1cccc(C#N)c1 ZINC000068827094 541632740 /nfs/dbraw/zinc/63/27/40/541632740.db2.gz IOUZRDDLMRPNML-LJQANCHMSA-N 1 2 369.465 2.490 20 30 FEEDLO CN(Cc1[nH+]ccn1C)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 ZINC000543886517 541677612 /nfs/dbraw/zinc/67/76/12/541677612.db2.gz SKHLEZOWCPJYMX-UHFFFAOYSA-N 1 2 353.361 2.280 20 30 FEEDLO CSc1[nH]c(=O)c(C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)cc1C#N ZINC000069490211 541690005 /nfs/dbraw/zinc/69/00/05/541690005.db2.gz YFDDUKDWRLETAR-AWEZNQCLSA-N 1 2 360.483 2.471 20 30 FEEDLO C#CCO[C@H](C)C(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000828384420 675816699 /nfs/dbraw/zinc/81/66/99/675816699.db2.gz LKAJJQUUJHOZIE-GFCCVEGCSA-N 1 2 364.243 2.102 20 30 FEEDLO C[NH+]1CCN(C[C@H]2CCCN(C(=O)/C=C/c3ccccc3C#N)C2)CC1 ZINC000077452800 542384239 /nfs/dbraw/zinc/38/42/39/542384239.db2.gz LERWITFSEXMXBD-GFOMBABLSA-N 1 2 352.482 2.057 20 30 FEEDLO COc1ccc(O)c(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000078227420 542448687 /nfs/dbraw/zinc/44/86/87/542448687.db2.gz JATZGVALEDCZRG-UHFFFAOYSA-N 1 2 351.406 2.230 20 30 FEEDLO CCc1cccc(C)c1NC(=O)CN(CCC#N)CC[NH+]1CCOCC1 ZINC000078686332 542476174 /nfs/dbraw/zinc/47/61/74/542476174.db2.gz AGSZPYTYGOLFPG-UHFFFAOYSA-N 1 2 358.486 2.044 20 30 FEEDLO Cc1ccc([C@H](CNC(=O)c2ccc(C#N)c(C)n2)[NH+]2CCOCC2)cc1 ZINC000079147647 542503627 /nfs/dbraw/zinc/50/36/27/542503627.db2.gz VHFUQWWGBARXGT-FQEVSTJZSA-N 1 2 364.449 2.373 20 30 FEEDLO CC(=O)c1cc(F)cc(C[NH+]2CCN(c3ncccc3C#N)CC2)c1O ZINC000079396541 542515777 /nfs/dbraw/zinc/51/57/77/542515777.db2.gz KHVIXXXLYRBWII-UHFFFAOYSA-N 1 2 354.385 2.323 20 30 FEEDLO N#Cc1cccc([C@@H]2C[C@H]2C(=O)NCc2ccc[nH+]c2N2CCOCC2)c1 ZINC000080870787 542611719 /nfs/dbraw/zinc/61/17/19/542611719.db2.gz PVELWCSOACHUCB-RBUKOAKNSA-N 1 2 362.433 2.210 20 30 FEEDLO N#CC1(NC(=O)CN(CC[NH+]2CCOCC2)c2ccccc2)CCCCC1 ZINC000081017805 542624982 /nfs/dbraw/zinc/62/49/82/542624982.db2.gz BBOKFKIXRPAGJC-UHFFFAOYSA-N 1 2 370.497 2.168 20 30 FEEDLO O=C(C#Cc1ccccc1)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000081152511 542635222 /nfs/dbraw/zinc/63/52/22/542635222.db2.gz VLUUFNJLFCHLKW-UHFFFAOYSA-N 1 2 361.445 2.257 20 30 FEEDLO C[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)[C@@H](CCO)c1ccccc1 ZINC000081515575 542661826 /nfs/dbraw/zinc/66/18/26/542661826.db2.gz HAZKJUNXVJXPIF-IBGZPJMESA-N 1 2 358.463 2.387 20 30 FEEDLO C[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)[C@@H](CCO)c1ccccc1 ZINC000081515575 542661829 /nfs/dbraw/zinc/66/18/29/542661829.db2.gz HAZKJUNXVJXPIF-IBGZPJMESA-N 1 2 358.463 2.387 20 30 FEEDLO COc1ccc(N2CC[NH+](CC(=O)N[C@@](C)(C#N)C(C)C)CC2)cc1F ZINC000084866010 542721430 /nfs/dbraw/zinc/72/14/30/542721430.db2.gz GEOOXUXZKOCAMN-IBGZPJMESA-N 1 2 362.449 2.011 20 30 FEEDLO C[N@H+](CCOCC1CC1)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000088599601 542753891 /nfs/dbraw/zinc/75/38/91/542753891.db2.gz FHZKSWHXPRNJAI-UHFFFAOYSA-N 1 2 353.426 2.041 20 30 FEEDLO C[N@@H+](CCOCC1CC1)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000088599601 542753893 /nfs/dbraw/zinc/75/38/93/542753893.db2.gz FHZKSWHXPRNJAI-UHFFFAOYSA-N 1 2 353.426 2.041 20 30 FEEDLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(c2cc(C#N)c3ccccc3n2)CC1 ZINC000088757839 542756256 /nfs/dbraw/zinc/75/62/56/542756256.db2.gz CQAZMZKJAQMBHH-INIZCTEOSA-N 1 2 363.465 2.239 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)CCCc1cc(F)ccc1F ZINC000090499576 542785673 /nfs/dbraw/zinc/78/56/73/542785673.db2.gz QAASEPCVMWVPEJ-UHFFFAOYSA-N 1 2 365.424 2.362 20 30 FEEDLO C=CC[N@@H+](Cc1cccc(OCCCOC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361722 542859684 /nfs/dbraw/zinc/85/96/84/542859684.db2.gz BSMYWDAYAHJFIV-QGZVFWFLSA-N 1 2 353.484 2.277 20 30 FEEDLO C=CC[N@H+](Cc1cccc(OCCCOC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361722 542859685 /nfs/dbraw/zinc/85/96/85/542859685.db2.gz BSMYWDAYAHJFIV-QGZVFWFLSA-N 1 2 353.484 2.277 20 30 FEEDLO CCNS(=O)(=O)[C@@H]1CC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000092842963 542891662 /nfs/dbraw/zinc/89/16/62/542891662.db2.gz DJGHSGLJQWFMSN-OAHLLOKOSA-N 1 2 360.401 2.071 20 30 FEEDLO CCNS(=O)(=O)[C@@H]1CC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000092842963 542891666 /nfs/dbraw/zinc/89/16/66/542891666.db2.gz DJGHSGLJQWFMSN-OAHLLOKOSA-N 1 2 360.401 2.071 20 30 FEEDLO CC1CCC(NC(=O)CN2CC[NH+](Cc3cc(C#N)cs3)CC2)CC1 ZINC000093052601 542905111 /nfs/dbraw/zinc/90/51/11/542905111.db2.gz XACQONGWGUNWGI-UHFFFAOYSA-N 1 2 360.527 2.432 20 30 FEEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000106218487 543219392 /nfs/dbraw/zinc/21/93/92/543219392.db2.gz QNIXUHRJQQLBGY-OLZOCXBDSA-N 1 2 370.482 2.364 20 30 FEEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCC[C@H](n2cncn2)C1 ZINC000106218487 543219394 /nfs/dbraw/zinc/21/93/94/543219394.db2.gz QNIXUHRJQQLBGY-OLZOCXBDSA-N 1 2 370.482 2.364 20 30 FEEDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N2CCO[C@H](C#N)C2)C[C@H](C)O1 ZINC000106321427 543223113 /nfs/dbraw/zinc/22/31/13/543223113.db2.gz JQYYOWBGJOWMGL-HLLBOEOZSA-N 1 2 358.442 2.052 20 30 FEEDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N2CCO[C@H](C#N)C2)C[C@H](C)O1 ZINC000106321427 543223115 /nfs/dbraw/zinc/22/31/15/543223115.db2.gz JQYYOWBGJOWMGL-HLLBOEOZSA-N 1 2 358.442 2.052 20 30 FEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](CC)[C@@H]1CCN(c2ccccc2)C1=O ZINC000111252854 543389999 /nfs/dbraw/zinc/38/99/99/543389999.db2.gz GKIPCXCEVFJFGJ-SJLPKXTDSA-N 1 2 356.470 2.122 20 30 FEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](CC)[C@@H]1CCN(c2ccccc2)C1=O ZINC000111252854 543390003 /nfs/dbraw/zinc/39/00/03/543390003.db2.gz GKIPCXCEVFJFGJ-SJLPKXTDSA-N 1 2 356.470 2.122 20 30 FEEDLO C=CCSCCNC(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000111844276 543419573 /nfs/dbraw/zinc/41/95/73/543419573.db2.gz XWJQUKFYUCVBJV-SFHVURJKSA-N 1 2 363.527 2.148 20 30 FEEDLO CC(C)(C)C(=O)NC[C@@H]1CCC[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000112699686 543458083 /nfs/dbraw/zinc/45/80/83/543458083.db2.gz OOMWWDBTHJMCFL-ZDUSSCGKSA-N 1 2 362.499 2.433 20 30 FEEDLO CC(C)(C)C(=O)NC[C@@H]1CCC[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000112699686 543458084 /nfs/dbraw/zinc/45/80/84/543458084.db2.gz OOMWWDBTHJMCFL-ZDUSSCGKSA-N 1 2 362.499 2.433 20 30 FEEDLO CC(C)(C)C(=O)NC[C@H]1CCC[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000112699687 543458405 /nfs/dbraw/zinc/45/84/05/543458405.db2.gz OOMWWDBTHJMCFL-CYBMUJFWSA-N 1 2 362.499 2.433 20 30 FEEDLO CC(C)(C)C(=O)NC[C@H]1CCC[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000112699687 543458407 /nfs/dbraw/zinc/45/84/07/543458407.db2.gz OOMWWDBTHJMCFL-CYBMUJFWSA-N 1 2 362.499 2.433 20 30 FEEDLO C=CC[C@@H](C)NC(=O)CS(=O)(=O)Nc1ccc([NH+]2CCCCC2)cc1 ZINC000116860453 543618493 /nfs/dbraw/zinc/61/84/93/543618493.db2.gz NKFWPATVOOMDPG-OAHLLOKOSA-N 1 2 365.499 2.499 20 30 FEEDLO C=C(C)COc1cc(C[NH+]2CCN(CC(=O)NC3CC3)CC2)ccc1OC ZINC000120776728 543684078 /nfs/dbraw/zinc/68/40/78/543684078.db2.gz UMMUTMYEJVAKJB-UHFFFAOYSA-N 1 2 373.497 2.046 20 30 FEEDLO Cc1ccc(NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)c(C)[nH+]1 ZINC000121545068 543696207 /nfs/dbraw/zinc/69/62/07/543696207.db2.gz FBCHUJQGPYJXCF-UHFFFAOYSA-N 1 2 358.423 2.143 20 30 FEEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CCC[C@@](C)(O)C2)c1C#N ZINC000124769906 543841729 /nfs/dbraw/zinc/84/17/29/543841729.db2.gz PNYYAQFTAHPPCE-HXUWFJFHSA-N 1 2 370.453 2.403 20 30 FEEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CCC[C@@](C)(O)C2)c1C#N ZINC000124769906 543841732 /nfs/dbraw/zinc/84/17/32/543841732.db2.gz PNYYAQFTAHPPCE-HXUWFJFHSA-N 1 2 370.453 2.403 20 30 FEEDLO N#CCC(=O)NCc1cc[nH+]c(N2CCN(c3ccc(F)cc3)CC2)c1 ZINC000131605026 544197630 /nfs/dbraw/zinc/19/76/30/544197630.db2.gz ZIPDQXZFASXXIS-UHFFFAOYSA-N 1 2 353.401 2.077 20 30 FEEDLO Cc1cccc2c(CC(=O)N(CCC#N)CC[NH+]3CCOCC3)c[nH]c21 ZINC000132349899 544227921 /nfs/dbraw/zinc/22/79/21/544227921.db2.gz BMIXXYBWXXTLAO-UHFFFAOYSA-N 1 2 354.454 2.093 20 30 FEEDLO CC[N@@H+](CC(=O)NCc1ccc(C(=O)N2CCCC2)cc1)C[C@H](C)C#N ZINC000140402099 544408531 /nfs/dbraw/zinc/40/85/31/544408531.db2.gz BENSPBJSZITJBD-MRXNPFEDSA-N 1 2 356.470 2.020 20 30 FEEDLO CC[N@H+](CC(=O)NCc1ccc(C(=O)N2CCCC2)cc1)C[C@H](C)C#N ZINC000140402099 544408532 /nfs/dbraw/zinc/40/85/32/544408532.db2.gz BENSPBJSZITJBD-MRXNPFEDSA-N 1 2 356.470 2.020 20 30 FEEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCCN(C(=O)c2scnc2C)CC1 ZINC000141961836 544415057 /nfs/dbraw/zinc/41/50/57/544415057.db2.gz PZCLOCSWYXEVTR-UHFFFAOYSA-N 1 2 364.515 2.024 20 30 FEEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCCN(C(=O)c2scnc2C)CC1 ZINC000141961836 544415059 /nfs/dbraw/zinc/41/50/59/544415059.db2.gz PZCLOCSWYXEVTR-UHFFFAOYSA-N 1 2 364.515 2.024 20 30 FEEDLO COc1ccc(C#N)cc1C[N@H+](C)CCNS(=O)(=O)c1ccc(C)cc1 ZINC000154143733 544870199 /nfs/dbraw/zinc/87/01/99/544870199.db2.gz PAAGBEGRPAQUCS-UHFFFAOYSA-N 1 2 373.478 2.286 20 30 FEEDLO COc1ccc(C#N)cc1C[N@@H+](C)CCNS(=O)(=O)c1ccc(C)cc1 ZINC000154143733 544870203 /nfs/dbraw/zinc/87/02/03/544870203.db2.gz PAAGBEGRPAQUCS-UHFFFAOYSA-N 1 2 373.478 2.286 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000154750736 544945072 /nfs/dbraw/zinc/94/50/72/544945072.db2.gz JDEWNPTWKLHLSV-OAQYLSRUSA-N 1 2 373.497 2.292 20 30 FEEDLO N#Cc1cc(Cl)cc(Br)c1NCCC[N@@H+]1CCNC(=O)C1 ZINC000553160451 674242369 /nfs/dbraw/zinc/24/23/69/674242369.db2.gz NLXNGEUMDSZQLN-UHFFFAOYSA-N 1 2 371.666 2.208 20 30 FEEDLO N#Cc1cc(Cl)cc(Br)c1NCCC[N@H+]1CCNC(=O)C1 ZINC000553160451 674242370 /nfs/dbraw/zinc/24/23/70/674242370.db2.gz NLXNGEUMDSZQLN-UHFFFAOYSA-N 1 2 371.666 2.208 20 30 FEEDLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)c2ccc(C#N)cc2)CC1 ZINC000186614754 327971010 /nfs/dbraw/zinc/97/10/10/327971010.db2.gz KHGCWUSFLHZADS-UHFFFAOYSA-N 1 2 362.433 2.475 20 30 FEEDLO COC(=O)[C@@H]1C[C@H](OC)C[N@H+]1Cc1cccn1Cc1ccccc1C#N ZINC000187290176 328013572 /nfs/dbraw/zinc/01/35/72/328013572.db2.gz NOLKQUMLAYEMMT-OALUTQOASA-N 1 2 353.422 2.170 20 30 FEEDLO COC(=O)[C@@H]1C[C@H](OC)C[N@@H+]1Cc1cccn1Cc1ccccc1C#N ZINC000187290176 328013573 /nfs/dbraw/zinc/01/35/73/328013573.db2.gz NOLKQUMLAYEMMT-OALUTQOASA-N 1 2 353.422 2.170 20 30 FEEDLO CCc1nnc(C2CC[NH+]([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)CC2)[nH]1 ZINC000190697329 328225247 /nfs/dbraw/zinc/22/52/47/328225247.db2.gz JXIYCCLJDHKOAV-QGZVFWFLSA-N 1 2 364.453 2.224 20 30 FEEDLO CCc1n[nH]c(C2CC[NH+]([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)CC2)n1 ZINC000190697329 328225248 /nfs/dbraw/zinc/22/52/48/328225248.db2.gz JXIYCCLJDHKOAV-QGZVFWFLSA-N 1 2 364.453 2.224 20 30 FEEDLO CCc1nc(C2CC[NH+]([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)CC2)n[nH]1 ZINC000190697329 328225250 /nfs/dbraw/zinc/22/52/50/328225250.db2.gz JXIYCCLJDHKOAV-QGZVFWFLSA-N 1 2 364.453 2.224 20 30 FEEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)C(=O)Nc1ccc(C#N)cc1F ZINC000192131221 328301375 /nfs/dbraw/zinc/30/13/75/328301375.db2.gz OWXOXQUGOGWRAK-UHFFFAOYSA-N 1 2 371.416 2.334 20 30 FEEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000192129103 328301498 /nfs/dbraw/zinc/30/14/98/328301498.db2.gz NWLZGWYOWVJPKX-UHFFFAOYSA-N 1 2 371.416 2.334 20 30 FEEDLO N#Cc1ccc(N2CC[NH+](CC(=O)NCCC3=CCCCC3)CC2)nc1 ZINC000193773734 328394485 /nfs/dbraw/zinc/39/44/85/328394485.db2.gz MWLABQRYZACNKX-UHFFFAOYSA-N 1 2 353.470 2.082 20 30 FEEDLO CN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000193946942 328403517 /nfs/dbraw/zinc/40/35/17/328403517.db2.gz VLNVCEFHYXMADQ-UHFFFAOYSA-N 1 2 359.389 2.341 20 30 FEEDLO CCN(CC)C(=O)[C@@H](C)[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000027106534 324430914 /nfs/dbraw/zinc/43/09/14/324430914.db2.gz OZOHTIIAMAVLDV-CQSZACIVSA-N 1 2 371.441 2.185 20 30 FEEDLO C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)c1cc(C#N)cn1C ZINC000081152909 325160903 /nfs/dbraw/zinc/16/09/03/325160903.db2.gz NKHYXDXOSMHPTH-KRWDZBQOSA-N 1 2 366.465 2.260 20 30 FEEDLO Cc1nc2c(cnn2C)c(N2CC[NH+](Cc3ccc(F)c(C#N)c3)CC2)n1 ZINC000120122338 326232585 /nfs/dbraw/zinc/23/25/85/326232585.db2.gz DIVUTQIEWPOAMW-UHFFFAOYSA-N 1 2 365.416 2.005 20 30 FEEDLO C[NH+]1CCN(C(=O)C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CC1 ZINC000120788487 326287902 /nfs/dbraw/zinc/28/79/02/326287902.db2.gz UIGIOYVRTOEUGL-UHFFFAOYSA-N 1 2 364.405 2.063 20 30 FEEDLO CSc1[nH]c(=O)c(C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)cc1C#N ZINC000121010265 326306084 /nfs/dbraw/zinc/30/60/84/326306084.db2.gz JZRGPJLUJUYDBU-HNNXBMFYSA-N 1 2 374.441 2.140 20 30 FEEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[NH+]1CCC(CN2CCCCC2=O)CC1 ZINC000177082167 327496490 /nfs/dbraw/zinc/49/64/90/327496490.db2.gz KFOWPNDSVYURIB-HXUWFJFHSA-N 1 2 369.465 2.497 20 30 FEEDLO Cc1c(C#N)cccc1NC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000178584492 327593685 /nfs/dbraw/zinc/59/36/85/327593685.db2.gz QTSQTNUYMVCCKI-GOSISDBHSA-N 1 2 360.483 2.196 20 30 FEEDLO CCn1nc(C)c(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1C ZINC000263888069 328972261 /nfs/dbraw/zinc/97/22/61/328972261.db2.gz YYXREPIOTUGMGN-UHFFFAOYSA-N 1 2 351.454 2.350 20 30 FEEDLO N#Cc1ccccc1N1CCC[N@@H+]([C@H]2CCN(CC(F)(F)F)C2=O)CC1 ZINC000264688353 329048730 /nfs/dbraw/zinc/04/87/30/329048730.db2.gz GDLTVDQFYFKOGV-INIZCTEOSA-N 1 2 366.387 2.234 20 30 FEEDLO N#Cc1ccccc1N1CCC[N@H+]([C@H]2CCN(CC(F)(F)F)C2=O)CC1 ZINC000264688353 329048731 /nfs/dbraw/zinc/04/87/31/329048731.db2.gz GDLTVDQFYFKOGV-INIZCTEOSA-N 1 2 366.387 2.234 20 30 FEEDLO CN1CC[N@H+](C)[C@@H](CNc2c(C#N)cnc3ccc(OC(F)F)cc32)C1 ZINC000264688881 329048892 /nfs/dbraw/zinc/04/88/92/329048892.db2.gz BSQYSTCDKVGQMP-ZDUSSCGKSA-N 1 2 361.396 2.366 20 30 FEEDLO CN1CC[N@@H+](C)[C@@H](CNc2c(C#N)cnc3ccc(OC(F)F)cc32)C1 ZINC000264688881 329048894 /nfs/dbraw/zinc/04/88/94/329048894.db2.gz BSQYSTCDKVGQMP-ZDUSSCGKSA-N 1 2 361.396 2.366 20 30 FEEDLO C[C@H](c1nc(-c2cccnc2)no1)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000264958849 329078527 /nfs/dbraw/zinc/07/85/27/329078527.db2.gz YUNZVJMMZORTEF-CQSZACIVSA-N 1 2 361.409 2.281 20 30 FEEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000266409509 329220171 /nfs/dbraw/zinc/22/01/71/329220171.db2.gz QSWWVVNMHGDVTL-LLVKDONJSA-N 1 2 356.348 2.419 20 30 FEEDLO COC(=O)[C@H]1CCC[C@H](C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000266871948 329267875 /nfs/dbraw/zinc/26/78/75/329267875.db2.gz XYKAWKKITUVMEM-OALUTQOASA-N 1 2 369.465 2.182 20 30 FEEDLO COC(=O)C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)C1CC1 ZINC000267793349 329358527 /nfs/dbraw/zinc/35/85/27/329358527.db2.gz JUEBMLXQVLXMTG-UHFFFAOYSA-N 1 2 361.467 2.465 20 30 FEEDLO COC(=O)C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)C1CC1 ZINC000267793349 329358528 /nfs/dbraw/zinc/35/85/28/329358528.db2.gz JUEBMLXQVLXMTG-UHFFFAOYSA-N 1 2 361.467 2.465 20 30 FEEDLO N#Cc1c(F)cccc1C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000367186192 330227260 /nfs/dbraw/zinc/22/72/60/330227260.db2.gz LOVZEPFIXDCESI-UXHICEINSA-N 1 2 365.408 2.423 20 30 FEEDLO N#Cc1c(F)cccc1C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000367186192 330227262 /nfs/dbraw/zinc/22/72/62/330227262.db2.gz LOVZEPFIXDCESI-UXHICEINSA-N 1 2 365.408 2.423 20 30 FEEDLO CCCNC(=O)OC[C@@H]1CCCC[N@@H+]1CC(=O)N[C@@](C)(C#N)C(C)C ZINC000805774434 674353299 /nfs/dbraw/zinc/35/32/99/674353299.db2.gz KGFMWKYBRBAZPL-YJBOKZPZSA-N 1 2 352.479 2.032 20 30 FEEDLO CCCNC(=O)OC[C@@H]1CCCC[N@H+]1CC(=O)N[C@@](C)(C#N)C(C)C ZINC000805774434 674353302 /nfs/dbraw/zinc/35/33/02/674353302.db2.gz KGFMWKYBRBAZPL-YJBOKZPZSA-N 1 2 352.479 2.032 20 30 FEEDLO CCN(C[C@@H](C)C#N)C(=O)CN1CCC[C@H]1c1[nH+]c2c(n1C)CCCC2 ZINC000275988336 521187001 /nfs/dbraw/zinc/18/70/01/521187001.db2.gz OQGQCRXPNQZKEH-YJBOKZPZSA-N 1 2 357.502 2.444 20 30 FEEDLO N#CCNC(=O)C[N@H+]1CCCC[C@@H]1Cc1ccccc1Br ZINC000555773336 674375852 /nfs/dbraw/zinc/37/58/52/674375852.db2.gz MUSAZSWNWZQJNM-CQSZACIVSA-N 1 2 350.260 2.486 20 30 FEEDLO N#CCNC(=O)C[N@@H+]1CCCC[C@@H]1Cc1ccccc1Br ZINC000555773336 674375855 /nfs/dbraw/zinc/37/58/55/674375855.db2.gz MUSAZSWNWZQJNM-CQSZACIVSA-N 1 2 350.260 2.486 20 30 FEEDLO CC#CCC[NH+]1CCN(S(=O)(=O)c2cc(Cl)ccc2OC)CC1 ZINC000156486209 545629935 /nfs/dbraw/zinc/62/99/35/545629935.db2.gz XTZGZDPKVQPGRM-UHFFFAOYSA-N 1 2 356.875 2.068 20 30 FEEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+](CCO)Cc1cccnc1 ZINC000157033019 545691993 /nfs/dbraw/zinc/69/19/93/545691993.db2.gz GUYSGCARZSTCGR-CYBMUJFWSA-N 1 2 370.478 2.325 20 30 FEEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+](CCO)Cc1cccnc1 ZINC000157033019 545691998 /nfs/dbraw/zinc/69/19/98/545691998.db2.gz GUYSGCARZSTCGR-CYBMUJFWSA-N 1 2 370.478 2.325 20 30 FEEDLO N#CCc1ccc(OC[C@@H](O)C[NH+]2CC(Oc3ccc(C#N)cc3)C2)cc1 ZINC000158553824 545872143 /nfs/dbraw/zinc/87/21/43/545872143.db2.gz LGXJKHSWNJYZAB-SFHVURJKSA-N 1 2 363.417 2.127 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000478209801 561162030 /nfs/dbraw/zinc/16/20/30/561162030.db2.gz MOSUSUYOYJMKRJ-LSDHHAIUSA-N 1 2 361.408 2.430 20 30 FEEDLO CN(C)c1cc(C#N)cc(C(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1 ZINC000478373935 561165290 /nfs/dbraw/zinc/16/52/90/561165290.db2.gz SGGAVKYFDZSBHS-HNNXBMFYSA-N 1 2 351.454 2.453 20 30 FEEDLO C=C(C)COc1cc(C[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)ccc1OC ZINC000161037695 546095093 /nfs/dbraw/zinc/09/50/93/546095093.db2.gz PIOWLRRJIZEMPJ-LJQANCHMSA-N 1 2 374.481 2.473 20 30 FEEDLO CC[C@@H](C#N)Oc1cc(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)ccc1OC ZINC000161636835 546132820 /nfs/dbraw/zinc/13/28/20/546132820.db2.gz IHZLINFNCBHRRA-HOTGVXAUSA-N 1 2 368.437 2.451 20 30 FEEDLO Cc1cccn2cc(CCNS(=O)(=O)Cc3cc(C#N)ccc3F)[nH+]c12 ZINC000164137928 546148838 /nfs/dbraw/zinc/14/88/38/546148838.db2.gz ICNPXCKHNJRGRV-UHFFFAOYSA-N 1 2 372.425 2.316 20 30 FEEDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)Nc2ccn(CCC#N)n2)CC1 ZINC000173364535 546279758 /nfs/dbraw/zinc/27/97/58/546279758.db2.gz GWSXCKXASNRPLV-OAHLLOKOSA-N 1 2 353.430 2.102 20 30 FEEDLO C[C@@H]([NH2+]Cc1nnc2n1CCCC2)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000173636085 546284402 /nfs/dbraw/zinc/28/44/02/546284402.db2.gz YNVOWDGESUFYON-CQSZACIVSA-N 1 2 370.432 2.178 20 30 FEEDLO C=C(Br)C[N@H+]1CCCN(Cc2nc([C@@H](C)OC)no2)CC1 ZINC000175793379 546351496 /nfs/dbraw/zinc/35/14/96/546351496.db2.gz UYLUQDYPLWRSMB-GFCCVEGCSA-N 1 2 359.268 2.193 20 30 FEEDLO C=C(Br)C[N@@H+]1CCCN(Cc2nc([C@@H](C)OC)no2)CC1 ZINC000175793379 546351500 /nfs/dbraw/zinc/35/15/00/546351500.db2.gz UYLUQDYPLWRSMB-GFCCVEGCSA-N 1 2 359.268 2.193 20 30 FEEDLO CCn1cnnc1[C@@H]1CCC[N@@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000177035554 546528967 /nfs/dbraw/zinc/52/89/67/546528967.db2.gz XDXZCNAPIVQTIM-HUUCEWRRSA-N 1 2 370.482 2.216 20 30 FEEDLO CCn1cnnc1[C@@H]1CCC[N@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000177035554 546528970 /nfs/dbraw/zinc/52/89/70/546528970.db2.gz XDXZCNAPIVQTIM-HUUCEWRRSA-N 1 2 370.482 2.216 20 30 FEEDLO C[C@H]1CCN(S(=O)(=O)Cc2ccc(C#N)cc2F)C[C@@H]1n1cc[nH+]c1 ZINC000480676074 561214064 /nfs/dbraw/zinc/21/40/64/561214064.db2.gz ASGSGDVSQRLJRY-GUYCJALGSA-N 1 2 362.430 2.307 20 30 FEEDLO Cc1nc(CC(N)=[NH+]OCC(=O)N(C)Cc2ccccc2F)cs1 ZINC000177560466 546643953 /nfs/dbraw/zinc/64/39/53/546643953.db2.gz ILKVADRBUDXDOU-UHFFFAOYSA-N 1 2 350.419 2.081 20 30 FEEDLO Cc1cc(N2CCN(C(=O)c3cc(C#N)cn3C)CC2)nc(C(C)C)[nH+]1 ZINC000177693143 546669024 /nfs/dbraw/zinc/66/90/24/546669024.db2.gz PUKZWEZTNZJFGL-UHFFFAOYSA-N 1 2 352.442 2.081 20 30 FEEDLO Cc1nc(CC(N)=[NH+]O[C@@H](C)C(=O)NCCc2cccs2)cs1 ZINC000178145708 546746550 /nfs/dbraw/zinc/74/65/50/546746550.db2.gz RGELNCGBRYKAKK-JTQLQIEISA-N 1 2 352.485 2.092 20 30 FEEDLO C=CC[N@@H+](CCC(=O)NCc1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000178857766 546861754 /nfs/dbraw/zinc/86/17/54/546861754.db2.gz VWWQEMPOOBFVRG-OAHLLOKOSA-N 1 2 370.902 2.021 20 30 FEEDLO C=CC[N@H+](CCC(=O)NCc1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000178857766 546861761 /nfs/dbraw/zinc/86/17/61/546861761.db2.gz VWWQEMPOOBFVRG-OAHLLOKOSA-N 1 2 370.902 2.021 20 30 FEEDLO COCCO[C@@H]1CCC[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000179340074 546934977 /nfs/dbraw/zinc/93/49/77/546934977.db2.gz LCXTYRCEVUTLCU-OAHLLOKOSA-N 1 2 351.834 2.278 20 30 FEEDLO COCCO[C@@H]1CCC[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000179340074 546934978 /nfs/dbraw/zinc/93/49/78/546934978.db2.gz LCXTYRCEVUTLCU-OAHLLOKOSA-N 1 2 351.834 2.278 20 30 FEEDLO N#Cc1ccc2[nH+]cc(CN3CCN(C(=O)Cc4ccccc4)CC3)n2c1 ZINC000179979158 547035575 /nfs/dbraw/zinc/03/55/75/547035575.db2.gz KWYAYSAEDJKPQQ-UHFFFAOYSA-N 1 2 359.433 2.093 20 30 FEEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+](C)C[C@@H](O)C(F)(F)F)c1C ZINC000181295600 547287745 /nfs/dbraw/zinc/28/77/45/547287745.db2.gz HQWBIIDJSBQCTN-OAHLLOKOSA-N 1 2 357.376 2.405 20 30 FEEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+](C)C[C@@H](O)C(F)(F)F)c1C ZINC000181295600 547287748 /nfs/dbraw/zinc/28/77/48/547287748.db2.gz HQWBIIDJSBQCTN-OAHLLOKOSA-N 1 2 357.376 2.405 20 30 FEEDLO Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)NCc3cn4ccccc4[nH+]3)C2)n1 ZINC000483783255 561284047 /nfs/dbraw/zinc/28/40/47/561284047.db2.gz JLQCNAKLLAPETM-QGZVFWFLSA-N 1 2 374.448 2.442 20 30 FEEDLO N#C[C@H](c1cccs1)N1CCN(C(=O)C[NH+]2Cc3ccccc3C2)CC1 ZINC000182766336 547548851 /nfs/dbraw/zinc/54/88/51/547548851.db2.gz IYANNPIMGGVNRK-GOSISDBHSA-N 1 2 366.490 2.473 20 30 FEEDLO C=CCCO[C@@H](C)C(=O)N1CC[NH+](CCOc2cccc(OC)c2)CC1 ZINC000484310955 561296039 /nfs/dbraw/zinc/29/60/39/561296039.db2.gz JCJIVSSBTBNFSL-KRWDZBQOSA-N 1 2 362.470 2.199 20 30 FEEDLO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000184583697 547849951 /nfs/dbraw/zinc/84/99/51/547849951.db2.gz ZQMIVEIUADAMAT-AUUYWEPGSA-N 1 2 357.433 2.246 20 30 FEEDLO Cc1oc(NC(=O)[C@@H](C)[NH+]2CCC(Cn3cncn3)CC2)c(C#N)c1C ZINC000186219720 548101498 /nfs/dbraw/zinc/10/14/98/548101498.db2.gz MGSHAPRAECFSHL-CYBMUJFWSA-N 1 2 356.430 2.099 20 30 FEEDLO COc1cc(C[NH+]2CCN(c3ncccc3C#N)CC2)ccc1[N+](=O)[O-] ZINC000485822013 561329117 /nfs/dbraw/zinc/32/91/17/561329117.db2.gz ZFCWYDCTRVPHFX-UHFFFAOYSA-N 1 2 353.382 2.192 20 30 FEEDLO C=CCCO[C@H](C)C(=O)Nc1ccccc1C[NH+]1CCN(C(C)=O)CC1 ZINC000186621657 548160041 /nfs/dbraw/zinc/16/00/41/548160041.db2.gz QZRCTZIEFHYOMV-MRXNPFEDSA-N 1 2 359.470 2.270 20 30 FEEDLO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000188005397 548269381 /nfs/dbraw/zinc/26/93/81/548269381.db2.gz WVLXMBRHYPMYEZ-INIZCTEOSA-N 1 2 373.497 2.002 20 30 FEEDLO C=CCn1c(SCC[N@@H+]2CCO[C@H](C)C2)nc2sccc2c1=O ZINC000188231252 548274730 /nfs/dbraw/zinc/27/47/30/548274730.db2.gz VRYGFENQCJXUNO-GFCCVEGCSA-N 1 2 351.497 2.457 20 30 FEEDLO C=CCn1c(SCC[N@H+]2CCO[C@H](C)C2)nc2sccc2c1=O ZINC000188231252 548274734 /nfs/dbraw/zinc/27/47/34/548274734.db2.gz VRYGFENQCJXUNO-GFCCVEGCSA-N 1 2 351.497 2.457 20 30 FEEDLO N#CC1(NC(=O)C[NH+]2CCC(Oc3ccc(F)nc3)CC2)CCCCC1 ZINC000190566763 548328700 /nfs/dbraw/zinc/32/87/00/548328700.db2.gz QJOJPPVROIKVEE-UHFFFAOYSA-N 1 2 360.433 2.407 20 30 FEEDLO COC(=O)[C@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000191210377 548341833 /nfs/dbraw/zinc/34/18/33/548341833.db2.gz VWTKJZHSLJHDQL-SZVBFZGTSA-N 1 2 355.438 2.207 20 30 FEEDLO COC(=O)[C@H]1[C@@H]2CCC[C@@H]2C[N@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000191210377 548341841 /nfs/dbraw/zinc/34/18/41/548341841.db2.gz VWTKJZHSLJHDQL-SZVBFZGTSA-N 1 2 355.438 2.207 20 30 FEEDLO C=CCSCCNC(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000194635252 548509060 /nfs/dbraw/zinc/50/90/60/548509060.db2.gz PUJQVYKYTCFNOT-AWEZNQCLSA-N 1 2 355.529 2.340 20 30 FEEDLO C=CCCC[C@H](C)NC(=O)C(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000487805656 561376283 /nfs/dbraw/zinc/37/62/83/561376283.db2.gz WIAOKZWDIWAUGN-DLBZAZTESA-N 1 2 358.486 2.148 20 30 FEEDLO Cc1noc([C@H]2CCC[N@@H+]([C@H]3CCN(c4sccc4C#N)C3=O)C2)n1 ZINC000246385221 549120344 /nfs/dbraw/zinc/12/03/44/549120344.db2.gz IKXIZZLJCJGHLN-KBPBESRZSA-N 1 2 357.439 2.296 20 30 FEEDLO Cc1noc([C@H]2CCC[N@H+]([C@H]3CCN(c4sccc4C#N)C3=O)C2)n1 ZINC000246385221 549120347 /nfs/dbraw/zinc/12/03/47/549120347.db2.gz IKXIZZLJCJGHLN-KBPBESRZSA-N 1 2 357.439 2.296 20 30 FEEDLO C[N@@H+]1CC[C@@H](NS(=O)(=O)CCCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246444634 549133694 /nfs/dbraw/zinc/13/36/94/549133694.db2.gz ITZIPVIOGOTCLA-HUUCEWRRSA-N 1 2 359.854 2.447 20 30 FEEDLO C[N@H+]1CC[C@@H](NS(=O)(=O)CCCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246444634 549133700 /nfs/dbraw/zinc/13/37/00/549133700.db2.gz ITZIPVIOGOTCLA-HUUCEWRRSA-N 1 2 359.854 2.447 20 30 FEEDLO C[N@H+](C[C@H]1COc2ccccc2O1)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000246486861 549144043 /nfs/dbraw/zinc/14/40/43/549144043.db2.gz PDBLHNDRTWJIKP-GJZGRUSLSA-N 1 2 369.446 2.497 20 30 FEEDLO C[N@@H+](C[C@H]1COc2ccccc2O1)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000246486861 549144047 /nfs/dbraw/zinc/14/40/47/549144047.db2.gz PDBLHNDRTWJIKP-GJZGRUSLSA-N 1 2 369.446 2.497 20 30 FEEDLO Cc1nc2ccccc2nc1C[N@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000246836575 549224414 /nfs/dbraw/zinc/22/44/14/549224414.db2.gz DYNLNDVFPNJWMT-CQSZACIVSA-N 1 2 359.437 2.311 20 30 FEEDLO Cc1nc2ccccc2nc1C[N@@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000246836575 549224417 /nfs/dbraw/zinc/22/44/17/549224417.db2.gz DYNLNDVFPNJWMT-CQSZACIVSA-N 1 2 359.437 2.311 20 30 FEEDLO C[C@@H](c1ccccc1)N(C)C(=O)C[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000248132031 549409629 /nfs/dbraw/zinc/40/96/29/549409629.db2.gz QSOHVZHTHMUBMJ-KRWDZBQOSA-N 1 2 363.465 2.295 20 30 FEEDLO C[C@H](C#N)CNC(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000248462188 549445343 /nfs/dbraw/zinc/44/53/43/549445343.db2.gz YCFUYXPAFCWCAK-WQVCFCJDSA-N 1 2 350.850 2.171 20 30 FEEDLO C[C@H](C#N)CNC(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000248462188 549445349 /nfs/dbraw/zinc/44/53/49/549445349.db2.gz YCFUYXPAFCWCAK-WQVCFCJDSA-N 1 2 350.850 2.171 20 30 FEEDLO CCN(CC)C(=O)C[N@@H+]1CCCN(c2snc(Cl)c2C#N)CC1 ZINC000263644351 549911523 /nfs/dbraw/zinc/91/15/23/549911523.db2.gz AGWXPKXKPUWWSL-UHFFFAOYSA-N 1 2 355.895 2.049 20 30 FEEDLO CCN(CC)C(=O)C[N@H+]1CCCN(c2snc(Cl)c2C#N)CC1 ZINC000263644351 549911526 /nfs/dbraw/zinc/91/15/26/549911526.db2.gz AGWXPKXKPUWWSL-UHFFFAOYSA-N 1 2 355.895 2.049 20 30 FEEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+](C)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000264731205 550000341 /nfs/dbraw/zinc/00/03/41/550000341.db2.gz PNCLKLPMEXVSRA-CJNGLKHVSA-N 1 2 362.861 2.138 20 30 FEEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+](C)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000264731205 550000344 /nfs/dbraw/zinc/00/03/44/550000344.db2.gz PNCLKLPMEXVSRA-CJNGLKHVSA-N 1 2 362.861 2.138 20 30 FEEDLO C=CCNC(=O)c1ccc(NC[C@H](c2ccc(C)o2)[NH+]2CCOCC2)nc1 ZINC000264840966 550002210 /nfs/dbraw/zinc/00/22/10/550002210.db2.gz GRDASHMRCUSLOG-QGZVFWFLSA-N 1 2 370.453 2.384 20 30 FEEDLO C=CCNC(=O)c1ccc(N[C@@H](C[NH+]2CCOCC2)c2ccccc2)nc1 ZINC000264910803 550003685 /nfs/dbraw/zinc/00/36/85/550003685.db2.gz TZDQQDYOQKTKJS-IBGZPJMESA-N 1 2 366.465 2.483 20 30 FEEDLO CO/N=C/c1ccc(C(=O)N2CCN(C3=[NH+]CC(C)(C)S3)CC2)cc1 ZINC000266041179 550016162 /nfs/dbraw/zinc/01/61/62/550016162.db2.gz AVLHICJJSNFBPO-UDWIEESQSA-N 1 2 360.483 2.306 20 30 FEEDLO COc1ccc(NC(=O)[C@H](C)O[NH+]=C(N)[C@@H](C)OCC(C)C)c(OC)c1 ZINC000266198713 550018450 /nfs/dbraw/zinc/01/84/50/550018450.db2.gz KLTVAIZRKCPULJ-OLZOCXBDSA-N 1 2 367.446 2.381 20 30 FEEDLO COc1ccc(C(N)=[NH+]OCC(=O)N(C2CC2)C2CCCC2)cc1OC ZINC000266337199 550019359 /nfs/dbraw/zinc/01/93/59/550019359.db2.gz UMQSMYMHZIZBNB-UHFFFAOYSA-N 1 2 361.442 2.274 20 30 FEEDLO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1nc(-c2ccc(CC)cc2)no1 ZINC000268497116 550077012 /nfs/dbraw/zinc/07/70/12/550077012.db2.gz PHKNNLPPSVNVPN-OLZOCXBDSA-N 1 2 371.441 2.350 20 30 FEEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)N(C)Cc1[nH+]ccn1C ZINC000270966531 550326584 /nfs/dbraw/zinc/32/65/84/550326584.db2.gz BITRLDITZQJGHY-HNNXBMFYSA-N 1 2 355.442 2.196 20 30 FEEDLO C[N@@H+]1CCN(S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C(C)(C)C1 ZINC000270985193 550328162 /nfs/dbraw/zinc/32/81/62/550328162.db2.gz CZLSEFQXIZMQQH-UHFFFAOYSA-N 1 2 361.389 2.292 20 30 FEEDLO C[N@H+]1CCN(S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C(C)(C)C1 ZINC000270985193 550328165 /nfs/dbraw/zinc/32/81/65/550328165.db2.gz CZLSEFQXIZMQQH-UHFFFAOYSA-N 1 2 361.389 2.292 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@@H]3CCO[C@@H](C4CC4)C3)CC2)cc1 ZINC000274237179 550529044 /nfs/dbraw/zinc/52/90/44/550529044.db2.gz ZNJWEHUGCUUJQI-WOJBJXKFSA-N 1 2 368.481 2.343 20 30 FEEDLO C[C@@H](CC#N)N(C)C(=O)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000276085944 550576420 /nfs/dbraw/zinc/57/64/20/550576420.db2.gz YCQWRKAUMWBXEV-AWEZNQCLSA-N 1 2 363.421 2.301 20 30 FEEDLO N#Cc1ncccc1S(=O)(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000277076846 550629100 /nfs/dbraw/zinc/62/91/00/550629100.db2.gz TYMFDSILEPGYJK-UHFFFAOYSA-N 1 2 371.466 2.207 20 30 FEEDLO C#CC[NH+]1CCN(c2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000278480506 550790826 /nfs/dbraw/zinc/79/08/26/550790826.db2.gz OPVXXVJTEBIGME-UHFFFAOYSA-N 1 2 364.274 2.399 20 30 FEEDLO C[C@@H](CC#N)NC(=O)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000278767651 550819838 /nfs/dbraw/zinc/81/98/38/550819838.db2.gz VXCSTZTZXLLRTP-ZDUSSCGKSA-N 1 2 351.410 2.243 20 30 FEEDLO C#CCn1ccc(C[N@@H+](CC)[C@@H](C)C(=O)NC(=O)Nc2ccccc2F)n1 ZINC000279668492 550914624 /nfs/dbraw/zinc/91/46/24/550914624.db2.gz DVFMQECYNQBMCF-AWEZNQCLSA-N 1 2 371.416 2.214 20 30 FEEDLO C#CCn1ccc(C[N@H+](CC)[C@@H](C)C(=O)NC(=O)Nc2ccccc2F)n1 ZINC000279668492 550914625 /nfs/dbraw/zinc/91/46/25/550914625.db2.gz DVFMQECYNQBMCF-AWEZNQCLSA-N 1 2 371.416 2.214 20 30 FEEDLO C=CC[N@@H+](C[C@H](O)Cc1ccc2ccccc2c1)[C@H]1CCS(=O)(=O)C1 ZINC000279688788 550917150 /nfs/dbraw/zinc/91/71/50/550917150.db2.gz HSHDGVKMGSMOQZ-VQTJNVASSA-N 1 2 359.491 2.418 20 30 FEEDLO C=CC[N@H+](C[C@H](O)Cc1ccc2ccccc2c1)[C@H]1CCS(=O)(=O)C1 ZINC000279688788 550917151 /nfs/dbraw/zinc/91/71/51/550917151.db2.gz HSHDGVKMGSMOQZ-VQTJNVASSA-N 1 2 359.491 2.418 20 30 FEEDLO C[C@@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000280593586 551011309 /nfs/dbraw/zinc/01/13/09/551011309.db2.gz XYMVBBVZUVNZOP-BBWFWOEESA-N 1 2 355.486 2.253 20 30 FEEDLO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCO[C@@]3(CCO[C@H]3C)C2)cc1C ZINC000280600627 551012006 /nfs/dbraw/zinc/01/20/06/551012006.db2.gz XDVGHBOJLFNCGU-RXVVDRJESA-N 1 2 371.481 2.430 20 30 FEEDLO Cc1ccc(N(CCC#N)C(=O)C[N@H+]2CCO[C@@]3(CCO[C@H]3C)C2)cc1C ZINC000280600627 551012008 /nfs/dbraw/zinc/01/20/08/551012008.db2.gz XDVGHBOJLFNCGU-RXVVDRJESA-N 1 2 371.481 2.430 20 30 FEEDLO CC1(C)C[N@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@]2(CCOC2)O1 ZINC000280619114 551014091 /nfs/dbraw/zinc/01/40/91/551014091.db2.gz WJQYSFNRJNAMFR-SFHVURJKSA-N 1 2 363.845 2.420 20 30 FEEDLO CC1(C)C[N@@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@]2(CCOC2)O1 ZINC000280619114 551014092 /nfs/dbraw/zinc/01/40/92/551014092.db2.gz WJQYSFNRJNAMFR-SFHVURJKSA-N 1 2 363.845 2.420 20 30 FEEDLO CN(C)[C@@H](C(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1c[nH+]cn1C ZINC000280796530 551033261 /nfs/dbraw/zinc/03/32/61/551033261.db2.gz OXSGDQXHAWLTFF-MRXNPFEDSA-N 1 2 364.371 2.210 20 30 FEEDLO CC[C@@H]1C[N@H+](CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)CCCO1 ZINC000281217272 551074772 /nfs/dbraw/zinc/07/47/72/551074772.db2.gz BLTIEJPDDLSWRR-HIFRSBDPSA-N 1 2 354.410 2.013 20 30 FEEDLO CC[C@@H]1C[N@@H+](CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)CCCO1 ZINC000281217272 551074773 /nfs/dbraw/zinc/07/47/73/551074773.db2.gz BLTIEJPDDLSWRR-HIFRSBDPSA-N 1 2 354.410 2.013 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000281361486 551088099 /nfs/dbraw/zinc/08/80/99/551088099.db2.gz KTHWUTAOGVJEBZ-ZCNNSNEGSA-N 1 2 373.497 2.340 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000281832129 551145676 /nfs/dbraw/zinc/14/56/76/551145676.db2.gz PZTHXWPFRWMQSO-WDYCEAGBSA-N 1 2 374.485 2.087 20 30 FEEDLO C=CCn1c(C)nnc1N1CC[NH+]([C@H](C)C(=O)Nc2cccc(F)c2)CC1 ZINC000282203787 551194634 /nfs/dbraw/zinc/19/46/34/551194634.db2.gz HEWDSUWZOQLSJV-CQSZACIVSA-N 1 2 372.448 2.061 20 30 FEEDLO C=CCn1c(-c2cccnc2)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC000282413257 551225220 /nfs/dbraw/zinc/22/52/20/551225220.db2.gz XKJBIAMQUJSQMX-UHFFFAOYSA-N 1 2 365.441 2.145 20 30 FEEDLO C[C@@H](CC#N)N(C)S(=O)(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000283037621 551301594 /nfs/dbraw/zinc/30/15/94/551301594.db2.gz QZBHTWKTPZEWGU-SWLSCSKDSA-N 1 2 358.895 2.011 20 30 FEEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)NCCC[N@@H+](CC)c1ccccc1 ZINC000283473507 551372325 /nfs/dbraw/zinc/37/23/25/551372325.db2.gz LRWIPIISWKEUIY-IEBWSBKVSA-N 1 2 373.497 2.117 20 30 FEEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)NCCC[N@H+](CC)c1ccccc1 ZINC000283473507 551372327 /nfs/dbraw/zinc/37/23/27/551372327.db2.gz LRWIPIISWKEUIY-IEBWSBKVSA-N 1 2 373.497 2.117 20 30 FEEDLO C=C(C)Cn1c(CC(C)C)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000283478429 551373530 /nfs/dbraw/zinc/37/35/30/551373530.db2.gz BVHKILMSASNMOD-UHFFFAOYSA-N 1 2 355.490 2.478 20 30 FEEDLO C=CCN1CC[C@H](O[NH+]=C(N)c2cccc(OCc3cccnc3)c2)C1=O ZINC000283481559 551373897 /nfs/dbraw/zinc/37/38/97/551373897.db2.gz HUBZDNXTUWFACX-SFHVURJKSA-N 1 2 366.421 2.084 20 30 FEEDLO C=C(C)CN(CC)C(=O)C(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000283861495 551439885 /nfs/dbraw/zinc/43/98/85/551439885.db2.gz CGTLPCCRDIJNQX-MRXNPFEDSA-N 1 2 358.417 2.189 20 30 FEEDLO C[C@H](O[NH+]=C(N)[C@H]1CCCO1)C(=O)Nc1ccccc1Br ZINC000284028306 551471039 /nfs/dbraw/zinc/47/10/39/551471039.db2.gz IMBYHOSMPQQLCG-JOYOIKCWSA-N 1 2 356.220 2.244 20 30 FEEDLO C[C@H](O[NH+]=C(N)[C@@H]1CCCO1)C(=O)N(C)Cc1c(F)cccc1Cl ZINC000284086258 551480936 /nfs/dbraw/zinc/48/09/36/551480936.db2.gz KSGFFTVTUSIPLY-HZMBPMFUSA-N 1 2 357.813 2.294 20 30 FEEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000284360780 551532337 /nfs/dbraw/zinc/53/23/37/551532337.db2.gz SUNDNZFPASKUKL-CYBMUJFWSA-N 1 2 374.466 2.459 20 30 FEEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000284360780 551532338 /nfs/dbraw/zinc/53/23/38/551532338.db2.gz SUNDNZFPASKUKL-CYBMUJFWSA-N 1 2 374.466 2.459 20 30 FEEDLO Cn1cc[nH+]c1[C@H](NC(=O)C(=O)NCCCCC#N)c1ccc(Cl)cc1 ZINC000284614082 551590571 /nfs/dbraw/zinc/59/05/71/551590571.db2.gz HQBYFTLLAVDTDC-OAHLLOKOSA-N 1 2 373.844 2.089 20 30 FEEDLO C=C(C)CN(Cc1ccccc1)C(=O)C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000284671730 551603926 /nfs/dbraw/zinc/60/39/26/551603926.db2.gz UVWSMZSODDISRL-UHFFFAOYSA-N 1 2 366.465 2.369 20 30 FEEDLO N#CC1(CS(=O)(=O)NCC2([NH+]3CCOCC3)CCCCC2)CCCC1 ZINC000498908188 561537510 /nfs/dbraw/zinc/53/75/10/561537510.db2.gz IIDMKZOPIVLKNF-UHFFFAOYSA-N 1 2 369.531 2.025 20 30 FEEDLO Cc1noc([C@H]2CCCN2CC#CC[N@@H+]2CCC[C@@H]2c2nc(C)no2)n1 ZINC000285534918 551771100 /nfs/dbraw/zinc/77/11/00/551771100.db2.gz FRQNBNFVPFIUFV-HZPDHXFCSA-N 1 2 356.430 2.047 20 30 FEEDLO Cc1noc([C@H]2CCCN2CC#CC[N@H+]2CCC[C@@H]2c2nc(C)no2)n1 ZINC000285534918 551771102 /nfs/dbraw/zinc/77/11/02/551771102.db2.gz FRQNBNFVPFIUFV-HZPDHXFCSA-N 1 2 356.430 2.047 20 30 FEEDLO COc1ccc(C[N@@H+]2CCN(C)[C@@H](c3nc(C4CC4)no3)C2)cc1C#N ZINC000285544921 551772777 /nfs/dbraw/zinc/77/27/77/551772777.db2.gz QFYVYGFHCKOVQM-MRXNPFEDSA-N 1 2 353.426 2.316 20 30 FEEDLO COc1ccc(C[N@H+]2CCN(C)[C@@H](c3nc(C4CC4)no3)C2)cc1C#N ZINC000285544921 551772778 /nfs/dbraw/zinc/77/27/78/551772778.db2.gz QFYVYGFHCKOVQM-MRXNPFEDSA-N 1 2 353.426 2.316 20 30 FEEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000285706700 551798477 /nfs/dbraw/zinc/79/84/77/551798477.db2.gz OQLBRVVBQABYEM-ZBFHGGJFSA-N 1 2 359.474 2.442 20 30 FEEDLO C[C@H](CNC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1)Cn1cc[nH+]c1 ZINC000286154641 551854982 /nfs/dbraw/zinc/85/49/82/551854982.db2.gz HUZMQCOGTWIFLM-ZBFHGGJFSA-N 1 2 355.417 2.173 20 30 FEEDLO C#CCC(CC#C)C(=O)N1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000287615118 552025915 /nfs/dbraw/zinc/02/59/15/552025915.db2.gz HOYCWXDLIZRWMO-UHFFFAOYSA-N 1 2 368.868 2.295 20 30 FEEDLO Cc1onc(CC(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2F)c1C#N ZINC000499604658 561554519 /nfs/dbraw/zinc/55/45/19/561554519.db2.gz NHSZCBUYUQGZQB-KRWDZBQOSA-N 1 2 353.357 2.176 20 30 FEEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)C1=O ZINC000499960113 561562994 /nfs/dbraw/zinc/56/29/94/561562994.db2.gz BZQFYRIUIUUOOH-HZPDHXFCSA-N 1 2 365.836 2.303 20 30 FEEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)C1=O ZINC000499960113 561562995 /nfs/dbraw/zinc/56/29/95/561562995.db2.gz BZQFYRIUIUUOOH-HZPDHXFCSA-N 1 2 365.836 2.303 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N(C)[C@@H](C)c2ccc(F)c(F)c2)C1=O ZINC000500026686 561564518 /nfs/dbraw/zinc/56/45/18/561564518.db2.gz RPJBTHNDSCSHEN-GUYCJALGSA-N 1 2 365.424 2.203 20 30 FEEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N(C)[C@@H](C)c2ccc(F)c(F)c2)C1=O ZINC000500026686 561564519 /nfs/dbraw/zinc/56/45/19/561564519.db2.gz RPJBTHNDSCSHEN-GUYCJALGSA-N 1 2 365.424 2.203 20 30 FEEDLO C=CCCCCNC(=O)C(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000288929108 552238003 /nfs/dbraw/zinc/23/80/03/552238003.db2.gz XNKUKCVBGDNNHB-UHFFFAOYSA-N 1 2 354.454 2.215 20 30 FEEDLO COC(=O)c1ccc(C[NH+]2CCN(c3snc(C)c3C#N)CC2)s1 ZINC000289549914 552339179 /nfs/dbraw/zinc/33/91/79/552339179.db2.gz UIWSFIOHSAPADC-UHFFFAOYSA-N 1 2 362.480 2.494 20 30 FEEDLO CCC(=O)N[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000500473553 561574223 /nfs/dbraw/zinc/57/42/23/561574223.db2.gz ZSIVHHXGALDNKQ-IAGOWNOFSA-N 1 2 356.470 2.312 20 30 FEEDLO CCC(=O)N[C@@H]1CCC[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000500473553 561574224 /nfs/dbraw/zinc/57/42/24/561574224.db2.gz ZSIVHHXGALDNKQ-IAGOWNOFSA-N 1 2 356.470 2.312 20 30 FEEDLO C=CCN(CC=C)C(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000289764385 552374955 /nfs/dbraw/zinc/37/49/55/552374955.db2.gz VSPJSFMERKWWRF-DLBZAZTESA-N 1 2 363.408 2.027 20 30 FEEDLO C=CCN(CC=C)C(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000289764385 552374956 /nfs/dbraw/zinc/37/49/56/552374956.db2.gz VSPJSFMERKWWRF-DLBZAZTESA-N 1 2 363.408 2.027 20 30 FEEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000292028265 552686166 /nfs/dbraw/zinc/68/61/66/552686166.db2.gz YTWHPTACLWGJQV-LBPRGKRZSA-N 1 2 355.410 2.190 20 30 FEEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000292028265 552686167 /nfs/dbraw/zinc/68/61/67/552686167.db2.gz YTWHPTACLWGJQV-LBPRGKRZSA-N 1 2 355.410 2.190 20 30 FEEDLO C[C@H](C(=O)NCc1cccs1)[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292042910 552687553 /nfs/dbraw/zinc/68/75/53/552687553.db2.gz ASDYDOLESLKHFE-HIFRSBDPSA-N 1 2 356.451 2.173 20 30 FEEDLO C[C@H](C(=O)NCc1cccs1)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292042910 552687554 /nfs/dbraw/zinc/68/75/54/552687554.db2.gz ASDYDOLESLKHFE-HIFRSBDPSA-N 1 2 356.451 2.173 20 30 FEEDLO C[C@@H]1[C@H](NC(=O)C(F)(F)F)CCC[N@@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000292177587 552701631 /nfs/dbraw/zinc/70/16/31/552701631.db2.gz QGQQTXVALLAIRS-DFBGVHRSSA-N 1 2 355.360 2.123 20 30 FEEDLO C[C@@H]1[C@H](NC(=O)C(F)(F)F)CCC[N@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000292177587 552701632 /nfs/dbraw/zinc/70/16/32/552701632.db2.gz QGQQTXVALLAIRS-DFBGVHRSSA-N 1 2 355.360 2.123 20 30 FEEDLO COC(=O)N1CCN(c2ccc(NCc3cccc(C#N)c3)c[nH+]2)CC1 ZINC000292971166 552776369 /nfs/dbraw/zinc/77/63/69/552776369.db2.gz KHLNOXJXUGYIGE-UHFFFAOYSA-N 1 2 351.410 2.454 20 30 FEEDLO CC#CC[N@H+](C)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F ZINC000293076380 552786496 /nfs/dbraw/zinc/78/64/96/552786496.db2.gz JINVWASSXPNHBJ-CQSZACIVSA-N 1 2 353.344 2.248 20 30 FEEDLO CC#CC[N@@H+](C)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F ZINC000293076380 552786498 /nfs/dbraw/zinc/78/64/98/552786498.db2.gz JINVWASSXPNHBJ-CQSZACIVSA-N 1 2 353.344 2.248 20 30 FEEDLO N#Cc1ccc(Br)c(C[N@@H+]2CCC[C@H](c3n[nH]c(=O)o3)C2)c1 ZINC000295356582 552992772 /nfs/dbraw/zinc/99/27/72/552992772.db2.gz OFIGQOVTAZSMKL-NSHDSACASA-N 1 2 363.215 2.377 20 30 FEEDLO N#Cc1ccc(Br)c(C[N@H+]2CCC[C@H](c3n[nH]c(=O)o3)C2)c1 ZINC000295356582 552992774 /nfs/dbraw/zinc/99/27/74/552992774.db2.gz OFIGQOVTAZSMKL-NSHDSACASA-N 1 2 363.215 2.377 20 30 FEEDLO C=C(C)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000296012160 553089173 /nfs/dbraw/zinc/08/91/73/553089173.db2.gz ONCMJPPXFPXONS-MRXNPFEDSA-N 1 2 369.473 2.131 20 30 FEEDLO C=C(C)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000296136016 553110548 /nfs/dbraw/zinc/11/05/48/553110548.db2.gz XKVIOHKBAHXQSF-MRXNPFEDSA-N 1 2 354.458 2.427 20 30 FEEDLO C[C@H]1CN(c2ccc(CNC(=O)N[C@H]3CC[C@@H](CC#N)C3)c[nH+]2)CCO1 ZINC000296390029 553151951 /nfs/dbraw/zinc/15/19/51/553151951.db2.gz QIXKJPRYBFJTSM-ZOBUZTSGSA-N 1 2 357.458 2.188 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)N[C@@H](c1ccccc1)C(F)F ZINC000296782825 553211070 /nfs/dbraw/zinc/21/10/70/553211070.db2.gz OFPHRECYCVLBNZ-INIZCTEOSA-N 1 2 366.412 2.250 20 30 FEEDLO CN(C(=O)C[N@H+](Cc1cccc(C(N)=O)c1)C1CC1)C1(C#N)CCCCC1 ZINC000296797522 553213175 /nfs/dbraw/zinc/21/31/75/553213175.db2.gz QVUJLAVIKHUCTI-UHFFFAOYSA-N 1 2 368.481 2.435 20 30 FEEDLO CN(C(=O)C[N@@H+](Cc1cccc(C(N)=O)c1)C1CC1)C1(C#N)CCCCC1 ZINC000296797522 553213176 /nfs/dbraw/zinc/21/31/76/553213176.db2.gz QVUJLAVIKHUCTI-UHFFFAOYSA-N 1 2 368.481 2.435 20 30 FEEDLO N#CC1(NC(=O)C[N@@H+](Cc2cccc(C(N)=O)c2)C2CC2)CCCCC1 ZINC000296972953 553237356 /nfs/dbraw/zinc/23/73/56/553237356.db2.gz YUEQHCXPJCHLOQ-UHFFFAOYSA-N 1 2 354.454 2.093 20 30 FEEDLO N#CC1(NC(=O)C[N@H+](Cc2cccc(C(N)=O)c2)C2CC2)CCCCC1 ZINC000296972953 553237358 /nfs/dbraw/zinc/23/73/58/553237358.db2.gz YUEQHCXPJCHLOQ-UHFFFAOYSA-N 1 2 354.454 2.093 20 30 FEEDLO Cc1cc(F)cc2c1C[N@H+](CC(=O)N1CCN([C@H](C#N)C(C)C)CC1)CC2 ZINC000502909273 561629614 /nfs/dbraw/zinc/62/96/14/561629614.db2.gz NMTLFJYLEFECIW-HXUWFJFHSA-N 1 2 372.488 2.185 20 30 FEEDLO Cc1cc(F)cc2c1C[N@@H+](CC(=O)N1CCN([C@H](C#N)C(C)C)CC1)CC2 ZINC000502909273 561629615 /nfs/dbraw/zinc/62/96/15/561629615.db2.gz NMTLFJYLEFECIW-HXUWFJFHSA-N 1 2 372.488 2.185 20 30 FEEDLO N#Cc1ccccc1OCC[NH+]1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000299061934 553510003 /nfs/dbraw/zinc/51/00/03/553510003.db2.gz NNLPGGZSGRHBEE-UHFFFAOYSA-N 1 2 364.449 2.193 20 30 FEEDLO C[C@H]1CCC[C@H](C)N1C(=O)CO[NH+]=C(N)c1ccc(N2CCCCC2)nc1 ZINC000299347252 553551176 /nfs/dbraw/zinc/55/11/76/553551176.db2.gz XCBZHBNQRZEXAW-HOTGVXAUSA-N 1 2 373.501 2.498 20 30 FEEDLO C[C@@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)C1 ZINC000301142428 553625449 /nfs/dbraw/zinc/62/54/49/553625449.db2.gz JCMBKUJTQVBEFJ-IYBDPMFKSA-N 1 2 358.461 2.324 20 30 FEEDLO CC(C)NC(=O)C[NH+]1CCN(c2c(C#N)cnc3ccc(Cl)cc32)CC1 ZINC000301373625 553646117 /nfs/dbraw/zinc/64/61/17/553646117.db2.gz WMRJVURPZZGLFE-UHFFFAOYSA-N 1 2 371.872 2.406 20 30 FEEDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(c2ccc(C(F)(F)F)cc2C#N)CC1 ZINC000301484420 553655410 /nfs/dbraw/zinc/65/54/10/553655410.db2.gz VHTUUUHKTPFRBR-LBPRGKRZSA-N 1 2 366.387 2.366 20 30 FEEDLO N#Cc1ccc(CN2CCN(c3cc(NCC4CC4)[nH+]cn3)CC2=O)cc1 ZINC000301841105 553684444 /nfs/dbraw/zinc/68/44/44/553684444.db2.gz YMTXBFLGLJQZGH-UHFFFAOYSA-N 1 2 362.437 2.019 20 30 FEEDLO N#Cc1ccc(CN2CCN(c3cc(NCC4CC4)nc[nH+]3)CC2=O)cc1 ZINC000301841105 553684446 /nfs/dbraw/zinc/68/44/46/553684446.db2.gz YMTXBFLGLJQZGH-UHFFFAOYSA-N 1 2 362.437 2.019 20 30 FEEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[NH+]1CCC(n2cncn2)CC1 ZINC000505434392 561671057 /nfs/dbraw/zinc/67/10/57/561671057.db2.gz MLBCPQASPFQPMK-GFCCVEGCSA-N 1 2 370.482 2.364 20 30 FEEDLO O=C(NC[C@@H]1CCCn2cc[nH+]c21)N1CCC(C(=O)N2CCCC2)CC1 ZINC000328614918 553796832 /nfs/dbraw/zinc/79/68/32/553796832.db2.gz RKYLKUTXPLSKHP-INIZCTEOSA-N 1 2 359.474 2.009 20 30 FEEDLO CCOc1cc2c(cc1NC(=O)N[C@H](C)C[NH+]1CCOCC1)O[C@H](C)C2 ZINC000328640109 553800869 /nfs/dbraw/zinc/80/08/69/553800869.db2.gz CKZYIFOKULRQIG-ZIAGYGMSSA-N 1 2 363.458 2.455 20 30 FEEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)c1nn(C)c3ccccc3c1=O)CCC2 ZINC000328663666 553804137 /nfs/dbraw/zinc/80/41/37/553804137.db2.gz YCLXORUTDSNPRT-CYBMUJFWSA-N 1 2 351.410 2.321 20 30 FEEDLO Cn1cc[nH+]c1[C@@H]1CN(C(=O)NC[C@@H]2CCCC(F)(F)C2)CCN1C ZINC000328683358 553806590 /nfs/dbraw/zinc/80/65/90/553806590.db2.gz WEWKVQHHCSYICA-KGLIPLIRSA-N 1 2 355.433 2.448 20 30 FEEDLO O=C(N[C@@H]1CCCC12CCOCC2)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000328694009 553808150 /nfs/dbraw/zinc/80/81/50/553808150.db2.gz FVTJVBGBRQELLU-DLBZAZTESA-N 1 2 351.491 2.046 20 30 FEEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)NCCc3csc(C(C)(C)C)n3)C[C@@H]21 ZINC000328891929 553839567 /nfs/dbraw/zinc/83/95/67/553839567.db2.gz STNCTFPFHKXOKR-LSDHHAIUSA-N 1 2 366.531 2.302 20 30 FEEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)NCCc3csc(C(C)(C)C)n3)C[C@@H]21 ZINC000328891929 553839569 /nfs/dbraw/zinc/83/95/69/553839569.db2.gz STNCTFPFHKXOKR-LSDHHAIUSA-N 1 2 366.531 2.302 20 30 FEEDLO CCC(CC)[C@H](C(=O)N[C@@H]1CCO[C@]2(CCOC2)C1)[NH+]1CCOCC1 ZINC000329092638 553878955 /nfs/dbraw/zinc/87/89/55/553878955.db2.gz AGQWCDHOVLCXOS-ZHALLVOQSA-N 1 2 354.491 2.418 20 30 FEEDLO C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+]1CCO[C@H](Cn2cncn2)C1 ZINC000329189984 553898752 /nfs/dbraw/zinc/89/87/52/553898752.db2.gz RQSOTKFJMCFBPH-MOAASNJQSA-N 1 2 373.501 2.293 20 30 FEEDLO C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+]1CCO[C@H](Cn2cncn2)C1 ZINC000329189984 553898753 /nfs/dbraw/zinc/89/87/53/553898753.db2.gz RQSOTKFJMCFBPH-MOAASNJQSA-N 1 2 373.501 2.293 20 30 FEEDLO Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNC(=O)[C@@H]1CC[C@@H](C(N)=O)O1 ZINC000329339998 553928574 /nfs/dbraw/zinc/92/85/74/553928574.db2.gz OBYMDRDFBRUXDB-JURCDPSOSA-N 1 2 368.409 2.243 20 30 FEEDLO Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNC(=O)[C@@H]1CC[C@@H](C(N)=O)O1 ZINC000329339998 553928576 /nfs/dbraw/zinc/92/85/76/553928576.db2.gz OBYMDRDFBRUXDB-JURCDPSOSA-N 1 2 368.409 2.243 20 30 FEEDLO O=C(NCc1ccc[nH+]c1N1CCOCC1)N1CCC[C@@H]1C1CCOCC1 ZINC000329436481 553946695 /nfs/dbraw/zinc/94/66/95/553946695.db2.gz JHVRGKVKEPXYCI-GOSISDBHSA-N 1 2 374.485 2.223 20 30 FEEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)CO[C@H]2CCCC[C@H]2C)CC1 ZINC000329435565 553946709 /nfs/dbraw/zinc/94/67/09/553946709.db2.gz LOIVKRUPPCFNPY-INMHGKMJSA-N 1 2 351.491 2.233 20 30 FEEDLO CC(=O)N1CCC(C(=O)Nc2ccc3[nH]c(N4CCOCC4)[nH+]c3c2)CC1 ZINC000329482703 553954849 /nfs/dbraw/zinc/95/48/49/553954849.db2.gz DVHANZNJIRYYLC-UHFFFAOYSA-N 1 2 371.441 2.246 20 30 FEEDLO CC(C)[C@@H]1CN(C(=O)N[C@@H](c2[nH+]ccn2C)C2CCOCC2)CCO1 ZINC000329510771 553960008 /nfs/dbraw/zinc/96/00/08/553960008.db2.gz XLKIXLPUGZPNEQ-JKSUJKDBSA-N 1 2 350.463 2.159 20 30 FEEDLO CC(C)(CNC(=O)CN1NC(=O)CC12CCCCC2)[NH+]1CCOCC1 ZINC000329580337 553971212 /nfs/dbraw/zinc/97/12/12/553971212.db2.gz KYSBGEPCBGYHMA-UHFFFAOYSA-N 1 2 352.479 2.334 20 30 FEEDLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)C1(C2CC2)CCOCC1 ZINC000329639329 553980726 /nfs/dbraw/zinc/98/07/26/553980726.db2.gz WMZMZKDBJJLGPI-QGZVFWFLSA-N 1 2 354.516 2.358 20 30 FEEDLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000329650855 553982384 /nfs/dbraw/zinc/98/23/84/553982384.db2.gz KQXDBUABIMTERS-QEJZJMRPSA-N 1 2 350.488 2.377 20 30 FEEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)NC[C@@H]1CCCS(=O)(=O)C1 ZINC000329699338 553991052 /nfs/dbraw/zinc/99/10/52/553991052.db2.gz GCOCXLCAGOCTHU-GJZGRUSLSA-N 1 2 368.503 2.169 20 30 FEEDLO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2C([O-])=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000329727842 553996256 /nfs/dbraw/zinc/99/62/56/553996256.db2.gz GZJZJANEPMDBRV-KFWWJZLASA-N 1 2 352.442 2.235 20 30 FEEDLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)N[C@@H]1C[C@H]1C1CCCCC1 ZINC000329786087 554005293 /nfs/dbraw/zinc/00/52/93/554005293.db2.gz XOXJCMJKHCDOIV-ZWKOTPCHSA-N 1 2 372.517 2.071 20 30 FEEDLO O=C(NCCc1ccc2ccccc2n1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000329816655 554011448 /nfs/dbraw/zinc/01/14/48/554011448.db2.gz WAXJFLLBLLQGRM-LJQANCHMSA-N 1 2 368.481 2.488 20 30 FEEDLO C[NH+]1CCN(C(=O)c2cc(NC(=O)N3CCC[C@@H]3C3CCC3)ccn2)CC1 ZINC000329849602 554018507 /nfs/dbraw/zinc/01/85/07/554018507.db2.gz PZFDRYDBEKCCDW-GOSISDBHSA-N 1 2 371.485 2.279 20 30 FEEDLO COc1ccc(CNC(=O)C[NH+]2CCN(c3ccccc3C#N)CC2)cc1 ZINC000507281668 561723568 /nfs/dbraw/zinc/72/35/68/561723568.db2.gz UGMFWUCOXHGJGF-UHFFFAOYSA-N 1 2 364.449 2.005 20 30 FEEDLO CCN1CCN(CC(=O)NC(=O)NC2CCCCC2)C[C@H]1c1[nH]cc[nH+]1 ZINC000329895132 554026334 /nfs/dbraw/zinc/02/63/34/554026334.db2.gz BQSHPUPMOPGJHG-HNNXBMFYSA-N 1 2 362.478 2.292 20 30 FEEDLO CC(C)n1ncc2c1C[C@H](NC(=O)NC[C@@H]1CCc3[nH+]ccn3C1)CC2 ZINC000329922779 554032205 /nfs/dbraw/zinc/03/22/05/554032205.db2.gz UDHPMFJPUUICAB-GOEBONIOSA-N 1 2 356.474 2.284 20 30 FEEDLO CC(C)n1ncc2c1C[C@H]([NH+]=C([O-])NC[C@@H]1CCc3[nH+]ccn3C1)CC2 ZINC000329922779 554032207 /nfs/dbraw/zinc/03/22/07/554032207.db2.gz UDHPMFJPUUICAB-GOEBONIOSA-N 1 2 356.474 2.284 20 30 FEEDLO CC(C)n1ncc2c1C[C@H](NC([O-])=[NH+]C[C@@H]1CCc3[nH+]ccn3C1)CC2 ZINC000329922779 554032209 /nfs/dbraw/zinc/03/22/09/554032209.db2.gz UDHPMFJPUUICAB-GOEBONIOSA-N 1 2 356.474 2.284 20 30 FEEDLO CO[C@@H]1CC[C@@H](NC(=O)NC[C@@H]2C[C@H](F)C[N@@H+]2Cc2c(C)noc2C)C1 ZINC000329966009 554040338 /nfs/dbraw/zinc/04/03/38/554040338.db2.gz VIXYTRYMSPPBMK-XUWVNRHRSA-N 1 2 368.453 2.275 20 30 FEEDLO CO[C@@H]1CC[C@@H](NC(=O)NC[C@@H]2C[C@H](F)C[N@H+]2Cc2c(C)noc2C)C1 ZINC000329966009 554040339 /nfs/dbraw/zinc/04/03/39/554040339.db2.gz VIXYTRYMSPPBMK-XUWVNRHRSA-N 1 2 368.453 2.275 20 30 FEEDLO C[C@H]1C(=O)NCCC[N@H+]1CC(=O)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000329983861 554043972 /nfs/dbraw/zinc/04/39/72/554043972.db2.gz PYOIKHQAPKTFSY-HNNXBMFYSA-N 1 2 372.469 2.033 20 30 FEEDLO C[C@H]1C(=O)NCCC[N@@H+]1CC(=O)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000329983861 554043973 /nfs/dbraw/zinc/04/39/73/554043973.db2.gz PYOIKHQAPKTFSY-HNNXBMFYSA-N 1 2 372.469 2.033 20 30 FEEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@H]1CCCS(=O)(=O)C1 ZINC000330002611 554047482 /nfs/dbraw/zinc/04/74/82/554047482.db2.gz BDPRDDVKXFXSBI-JTQLQIEISA-N 1 2 357.382 2.157 20 30 FEEDLO O=C(Nc1cccc(C[NH+]2CCC(O)CC2)c1)[C@H]1CCCCS1(=O)=O ZINC000330043775 554054165 /nfs/dbraw/zinc/05/41/65/554054165.db2.gz COHDRVXTDJYUTG-QGZVFWFLSA-N 1 2 366.483 2.199 20 30 FEEDLO O=C(Cn1cc2ccccc2n1)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000330083048 554061580 /nfs/dbraw/zinc/06/15/80/554061580.db2.gz HGCWKLFUVZOBLR-SFHVURJKSA-N 1 2 360.483 2.201 20 30 FEEDLO CC(C)C(=O)NC[C@@H]1CCCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000330092994 554063385 /nfs/dbraw/zinc/06/33/85/554063385.db2.gz RGZKIQIPGVSZGS-FUHWJXTLSA-N 1 2 365.518 2.481 20 30 FEEDLO CC(C)C(=O)NC[C@@H]1CCCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000330092994 554063386 /nfs/dbraw/zinc/06/33/86/554063386.db2.gz RGZKIQIPGVSZGS-FUHWJXTLSA-N 1 2 365.518 2.481 20 30 FEEDLO C[C@@H]1CN(CC(=O)Nc2nc(C[NH+]3CCCC3)cs2)C[C@@H](C)S1=O ZINC000330123331 554069173 /nfs/dbraw/zinc/06/91/73/554069173.db2.gz KTUAAKUAOJDNJX-CHWSQXEVSA-N 1 2 370.544 2.168 20 30 FEEDLO Cc1ccn2cc(CNC(=O)[C@@H](C)S(=O)(=O)C3CCOCC3)[nH+]c2c1 ZINC000330126654 554069428 /nfs/dbraw/zinc/06/94/28/554069428.db2.gz CZIQUPTUQCPSQT-CYBMUJFWSA-N 1 2 365.455 2.082 20 30 FEEDLO C[C@@H]1CCCCN(C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)C1 ZINC000330171725 554077778 /nfs/dbraw/zinc/07/77/78/554077778.db2.gz XNOZMKMKESQWSD-OAHLLOKOSA-N 1 2 359.474 2.137 20 30 FEEDLO Cc1nc(N2CCC(NC(=O)Nc3ccc(F)cc3)CC2)nc(N(C)C)[nH+]1 ZINC000330170224 554077997 /nfs/dbraw/zinc/07/79/97/554077997.db2.gz BRZQUWONSJTIPS-UHFFFAOYSA-N 1 2 373.436 2.380 20 30 FEEDLO Cc1nc(N(C)C)nc(N2CCC(NC(=O)Nc3ccc(F)cc3)CC2)[nH+]1 ZINC000330170224 554077999 /nfs/dbraw/zinc/07/79/99/554077999.db2.gz BRZQUWONSJTIPS-UHFFFAOYSA-N 1 2 373.436 2.380 20 30 FEEDLO CC[N@@H+]1CC[C@H](NC(=O)N(C)[C@H](C)CO)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000330791359 554171582 /nfs/dbraw/zinc/17/15/82/554171582.db2.gz AOHFHIYTGSETFS-FUEDEBDSSA-N 1 2 359.392 2.466 20 30 FEEDLO CC[N@H+]1CC[C@H](NC(=O)N(C)[C@H](C)CO)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000330791359 554171585 /nfs/dbraw/zinc/17/15/85/554171585.db2.gz AOHFHIYTGSETFS-FUEDEBDSSA-N 1 2 359.392 2.466 20 30 FEEDLO C=CCn1c(-c2c[nH]c3ccccc23)nnc1N(C)CC[NH+]1CCOCC1 ZINC000508460958 561762768 /nfs/dbraw/zinc/76/27/68/561762768.db2.gz HFJOQBSFEHSFDB-UHFFFAOYSA-N 1 2 366.469 2.381 20 30 FEEDLO C=CCN(C)c1nnc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)n1C ZINC000508562552 561766152 /nfs/dbraw/zinc/76/61/52/561766152.db2.gz LXXDWAPUSOYDAA-UHFFFAOYSA-N 1 2 374.920 2.409 20 30 FEEDLO C[C@@H]1C[N@@H+](CCN(C)C(=O)Nc2cccc([S@](C)=O)c2)C[C@H](C)O1 ZINC000331175850 554225845 /nfs/dbraw/zinc/22/58/45/554225845.db2.gz FGWRWIFFWKEJLP-LCHIKPRUSA-N 1 2 353.488 2.011 20 30 FEEDLO C[C@@H]1C[N@H+](CCN(C)C(=O)Nc2cccc([S@](C)=O)c2)C[C@H](C)O1 ZINC000331175850 554225849 /nfs/dbraw/zinc/22/58/49/554225849.db2.gz FGWRWIFFWKEJLP-LCHIKPRUSA-N 1 2 353.488 2.011 20 30 FEEDLO CO[C@H]1C[NH+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)C[C@@H]1OC ZINC000331437920 554264861 /nfs/dbraw/zinc/26/48/61/554264861.db2.gz UYCVCLZFCKLWNC-ROUUACIJSA-N 1 2 374.485 2.376 20 30 FEEDLO CC[C@@H]1CN(S(=O)(=O)N(C)[C@@H](C)CC#N)CC[N@@H+]1Cc1ccccc1 ZINC000509299568 561794380 /nfs/dbraw/zinc/79/43/80/561794380.db2.gz ZREPNYLGDCEOBA-FUHWJXTLSA-N 1 2 364.515 2.062 20 30 FEEDLO CC[C@@H]1CN(S(=O)(=O)N(C)[C@@H](C)CC#N)CC[N@H+]1Cc1ccccc1 ZINC000509299568 561794381 /nfs/dbraw/zinc/79/43/81/561794381.db2.gz ZREPNYLGDCEOBA-FUHWJXTLSA-N 1 2 364.515 2.062 20 30 FEEDLO C[C@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC[S@]1=O ZINC000331889242 554339301 /nfs/dbraw/zinc/33/93/01/554339301.db2.gz GIFSNQMZYBIKFW-FNODVLLQSA-N 1 2 365.524 2.280 20 30 FEEDLO C[C@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC[S@]1=O ZINC000331889242 554339304 /nfs/dbraw/zinc/33/93/04/554339304.db2.gz GIFSNQMZYBIKFW-FNODVLLQSA-N 1 2 365.524 2.280 20 30 FEEDLO N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000509435729 561799683 /nfs/dbraw/zinc/79/96/83/561799683.db2.gz DRXPIFPTDIRLIP-KRWDZBQOSA-N 1 2 357.845 2.405 20 30 FEEDLO N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000509435729 561799685 /nfs/dbraw/zinc/79/96/85/561799685.db2.gz DRXPIFPTDIRLIP-KRWDZBQOSA-N 1 2 357.845 2.405 20 30 FEEDLO C[C@@H]1C[C@@H](C)CN(C(=O)C[NH+]2CCN(Cc3cccc(C#N)c3F)CC2)C1 ZINC000332542399 554467875 /nfs/dbraw/zinc/46/78/75/554467875.db2.gz DNAIRBIPMVPCFI-IAGOWNOFSA-N 1 2 372.488 2.319 20 30 FEEDLO Cc1cc(NC(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)c(C#N)cc1N(C)C ZINC000334086390 554676486 /nfs/dbraw/zinc/67/64/86/554676486.db2.gz MSJYNDQAWBRJJO-GJZGRUSLSA-N 1 2 359.474 2.163 20 30 FEEDLO CCO[C@H](C)c1noc(C[N@@H+]2CCCN(c3cccc(C#N)n3)CC2)n1 ZINC000360489238 554877014 /nfs/dbraw/zinc/87/70/14/554877014.db2.gz NWHRXZHMBQOWJP-CQSZACIVSA-N 1 2 356.430 2.146 20 30 FEEDLO CCO[C@H](C)c1noc(C[N@H+]2CCCN(c3cccc(C#N)n3)CC2)n1 ZINC000360489238 554877015 /nfs/dbraw/zinc/87/70/15/554877015.db2.gz NWHRXZHMBQOWJP-CQSZACIVSA-N 1 2 356.430 2.146 20 30 FEEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCCN(C(=O)C(C)(C)C)CC1 ZINC000363229122 555059465 /nfs/dbraw/zinc/05/94/65/555059465.db2.gz ALRZBDHTAPDETP-HNNXBMFYSA-N 1 2 356.470 2.466 20 30 FEEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCCN(C(=O)C(C)(C)C)CC1 ZINC000363229122 555059467 /nfs/dbraw/zinc/05/94/67/555059467.db2.gz ALRZBDHTAPDETP-HNNXBMFYSA-N 1 2 356.470 2.466 20 30 FEEDLO O=C(NCC#Cc1cccc(F)c1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000512163399 561894483 /nfs/dbraw/zinc/89/44/83/561894483.db2.gz FNMOGXKJAFOOFE-UHFFFAOYSA-N 1 2 352.413 2.100 20 30 FEEDLO C=C(C)C[N@H+](CC(=O)NCc1cccc(C#N)c1)Cc1ccc(CO)o1 ZINC000512201848 561895836 /nfs/dbraw/zinc/89/58/36/561895836.db2.gz IMAPDSSZRWYHHG-UHFFFAOYSA-N 1 2 353.422 2.338 20 30 FEEDLO C=C(C)C[N@@H+](CC(=O)NCc1cccc(C#N)c1)Cc1ccc(CO)o1 ZINC000512201848 561895837 /nfs/dbraw/zinc/89/58/37/561895837.db2.gz IMAPDSSZRWYHHG-UHFFFAOYSA-N 1 2 353.422 2.338 20 30 FEEDLO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1CC(=O)Nc1oc(C)c(C)c1C#N ZINC000364377636 555302322 /nfs/dbraw/zinc/30/23/22/555302322.db2.gz OTGKFCAPBILBFE-DLBZAZTESA-N 1 2 358.442 2.182 20 30 FEEDLO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1CC(=O)Nc1oc(C)c(C)c1C#N ZINC000364377636 555302323 /nfs/dbraw/zinc/30/23/23/555302323.db2.gz OTGKFCAPBILBFE-DLBZAZTESA-N 1 2 358.442 2.182 20 30 FEEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCCN(c2ncccc2F)CC1 ZINC000364748968 555393417 /nfs/dbraw/zinc/39/34/17/555393417.db2.gz IDSCAAWCBGFSAG-INIZCTEOSA-N 1 2 373.476 2.464 20 30 FEEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCCN(c2ncccc2F)CC1 ZINC000364748968 555393418 /nfs/dbraw/zinc/39/34/18/555393418.db2.gz IDSCAAWCBGFSAG-INIZCTEOSA-N 1 2 373.476 2.464 20 30 FEEDLO CC[C@H](C#N)Oc1cc(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)ccc1OC ZINC000364913111 555435697 /nfs/dbraw/zinc/43/56/97/555435697.db2.gz DRSAWEUEERDNMD-JKSUJKDBSA-N 1 2 368.437 2.451 20 30 FEEDLO CC[N@H+](CC(=O)N1CCCCCC1)[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000513182551 561928234 /nfs/dbraw/zinc/92/82/34/561928234.db2.gz HCIGKZPQWFJXGG-APWZRJJASA-N 1 2 350.507 2.154 20 30 FEEDLO CC[N@@H+](CC(=O)N1CCCCCC1)[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000513182551 561928235 /nfs/dbraw/zinc/92/82/35/561928235.db2.gz HCIGKZPQWFJXGG-APWZRJJASA-N 1 2 350.507 2.154 20 30 FEEDLO O=S1(=O)CCCN1[C@H]1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000366117777 555756680 /nfs/dbraw/zinc/75/66/80/555756680.db2.gz IHJGYKODEUANFH-KRWDZBQOSA-N 1 2 352.887 2.191 20 30 FEEDLO O=S1(=O)CCCN1[C@H]1CCC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000366117777 555756681 /nfs/dbraw/zinc/75/66/81/555756681.db2.gz IHJGYKODEUANFH-KRWDZBQOSA-N 1 2 352.887 2.191 20 30 FEEDLO O=S1(=O)CCCN1[C@@H]1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000366117780 555756685 /nfs/dbraw/zinc/75/66/85/555756685.db2.gz IHJGYKODEUANFH-QGZVFWFLSA-N 1 2 352.887 2.191 20 30 FEEDLO O=S1(=O)CCCN1[C@@H]1CCC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000366117780 555756686 /nfs/dbraw/zinc/75/66/86/555756686.db2.gz IHJGYKODEUANFH-QGZVFWFLSA-N 1 2 352.887 2.191 20 30 FEEDLO COc1cc[nH+]cc1CNC(=O)[C@H]1CCCN(c2nc(C)ccc2C#N)C1 ZINC000366377945 555826963 /nfs/dbraw/zinc/82/69/63/555826963.db2.gz NDMRBLOUBPWVAI-INIZCTEOSA-N 1 2 365.437 2.198 20 30 FEEDLO C[C@@H]1C[C@]2(CCO1)C[N@@H+](CC(=O)N(C)C1(C#N)CCCCC1)C[C@H](C)O2 ZINC000366787315 555933924 /nfs/dbraw/zinc/93/39/24/555933924.db2.gz LBCKKNZEIUXEIE-FUHIMQAGSA-N 1 2 363.502 2.330 20 30 FEEDLO C[C@@H]1C[C@]2(CCO1)C[N@H+](CC(=O)N(C)C1(C#N)CCCCC1)C[C@H](C)O2 ZINC000366787315 555933926 /nfs/dbraw/zinc/93/39/26/555933926.db2.gz LBCKKNZEIUXEIE-FUHIMQAGSA-N 1 2 363.502 2.330 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@@H](c3ccc(F)cc3)C2)nc1 ZINC000367357272 556027314 /nfs/dbraw/zinc/02/73/14/556027314.db2.gz WDPHQJJBZNJEEI-MRXNPFEDSA-N 1 2 359.426 2.356 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@@H](c3ccc(F)cc3)C2)nc1 ZINC000367357272 556027316 /nfs/dbraw/zinc/02/73/16/556027316.db2.gz WDPHQJJBZNJEEI-MRXNPFEDSA-N 1 2 359.426 2.356 20 30 FEEDLO COCCc1noc(C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)n1 ZINC000367607623 556096192 /nfs/dbraw/zinc/09/61/92/556096192.db2.gz XOWNVSMSUOBRTL-UHFFFAOYSA-N 1 2 360.389 2.313 20 30 FEEDLO Cc1cc(Br)cc([N+](=O)[O-])c1OC[C@H](O)C[N@H+](C)CCC#N ZINC000514824059 561981535 /nfs/dbraw/zinc/98/15/35/561981535.db2.gz SKXWLEHVFQBPSJ-GFCCVEGCSA-N 1 2 372.219 2.251 20 30 FEEDLO Cc1cc(Br)cc([N+](=O)[O-])c1OC[C@H](O)C[N@@H+](C)CCC#N ZINC000514824059 561981536 /nfs/dbraw/zinc/98/15/36/561981536.db2.gz SKXWLEHVFQBPSJ-GFCCVEGCSA-N 1 2 372.219 2.251 20 30 FEEDLO Cn1c[nH+]cc1[C@H]1C[C@H](NC(=O)C2(c3ccc(C#N)cc3)CC2)CCO1 ZINC000514837916 561982129 /nfs/dbraw/zinc/98/21/29/561982129.db2.gz HYVWIFQKIRFWNC-SJLPKXTDSA-N 1 2 350.422 2.360 20 30 FEEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)C2(c3ccc(C#N)cc3)CC2)CCO1 ZINC000514837914 561982160 /nfs/dbraw/zinc/98/21/60/561982160.db2.gz HYVWIFQKIRFWNC-AEFFLSMTSA-N 1 2 350.422 2.360 20 30 FEEDLO COC(=O)C[N@@H+]1CCCN(Cc2ccc(Br)cc2C#N)CC1 ZINC000367816031 556146547 /nfs/dbraw/zinc/14/65/47/556146547.db2.gz RYACCAMFAYUQRS-UHFFFAOYSA-N 1 2 366.259 2.001 20 30 FEEDLO COC(=O)C[N@H+]1CCCN(Cc2ccc(Br)cc2C#N)CC1 ZINC000367816031 556146548 /nfs/dbraw/zinc/14/65/48/556146548.db2.gz RYACCAMFAYUQRS-UHFFFAOYSA-N 1 2 366.259 2.001 20 30 FEEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](CC(=O)NCc3cc(F)cc(F)c3)C2)nc1 ZINC000368639061 556370740 /nfs/dbraw/zinc/37/07/40/556370740.db2.gz RTDBEJIEIJJNRV-QGZVFWFLSA-N 1 2 372.375 2.001 20 30 FEEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](CC(=O)NCc3cc(F)cc(F)c3)C2)nc1 ZINC000368639061 556370743 /nfs/dbraw/zinc/37/07/43/556370743.db2.gz RTDBEJIEIJJNRV-QGZVFWFLSA-N 1 2 372.375 2.001 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1NC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(OC)cc1 ZINC000515453069 562010939 /nfs/dbraw/zinc/01/09/39/562010939.db2.gz PZBPBYODLODXDX-IKGGRYGDSA-N 1 2 356.426 2.161 20 30 FEEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000368974717 556465103 /nfs/dbraw/zinc/46/51/03/556465103.db2.gz OLZNGXFICHZVLD-IYOUNJFTSA-N 1 2 359.495 2.489 20 30 FEEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000368974717 556465104 /nfs/dbraw/zinc/46/51/04/556465104.db2.gz OLZNGXFICHZVLD-IYOUNJFTSA-N 1 2 359.495 2.489 20 30 FEEDLO C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(c2ncccc2Cl)CC1 ZINC000369340485 556574446 /nfs/dbraw/zinc/57/44/46/556574446.db2.gz XJLGEDYLBBKSFF-LBPRGKRZSA-N 1 2 350.850 2.315 20 30 FEEDLO N#CC1(NC(=O)C[NH+]2CCC(c3nc(-c4ccccc4)no3)CC2)CCC1 ZINC000369601043 556643890 /nfs/dbraw/zinc/64/38/90/556643890.db2.gz BJPHQMZIXMQXLR-UHFFFAOYSA-N 1 2 365.437 2.478 20 30 FEEDLO CC(=O)Nc1c[nH]nc1[C@H]1CCC[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000370151037 556795168 /nfs/dbraw/zinc/79/51/68/556795168.db2.gz NIKZUOPQHFIGMX-ZDUSSCGKSA-N 1 2 372.454 2.119 20 30 FEEDLO CC(=O)Nc1c[nH]nc1[C@H]1CCC[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000370151037 556795172 /nfs/dbraw/zinc/79/51/72/556795172.db2.gz NIKZUOPQHFIGMX-ZDUSSCGKSA-N 1 2 372.454 2.119 20 30 FEEDLO CC(=O)Nc1c[nH]nc1[C@@H]1CCC[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000370151036 556795253 /nfs/dbraw/zinc/79/52/53/556795253.db2.gz NIKZUOPQHFIGMX-CYBMUJFWSA-N 1 2 372.454 2.119 20 30 FEEDLO CC(=O)Nc1c[nH]nc1[C@@H]1CCC[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000370151036 556795256 /nfs/dbraw/zinc/79/52/56/556795256.db2.gz NIKZUOPQHFIGMX-CYBMUJFWSA-N 1 2 372.454 2.119 20 30 FEEDLO N#Cc1ccc(C[C@H](C#N)C(=O)NCc2ccnc(-n3cc[nH+]c3)c2)cc1 ZINC000370482735 556885718 /nfs/dbraw/zinc/88/57/18/556885718.db2.gz CKPAEFQGCMHHSW-GOSISDBHSA-N 1 2 356.389 2.138 20 30 FEEDLO N#Cc1c(Cl)cccc1S(=O)(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000371019177 557047441 /nfs/dbraw/zinc/04/74/41/557047441.db2.gz QLPJDOGSLMAZQU-UHFFFAOYSA-N 1 2 373.825 2.271 20 30 FEEDLO N#Cc1ccc(CNC(=O)C[N@@H+]2CCO[C@]3(CCc4ccccc43)C2)cc1 ZINC000371033809 557052934 /nfs/dbraw/zinc/05/29/34/557052934.db2.gz HHUSWJWAAGODOB-JOCHJYFZSA-N 1 2 361.445 2.348 20 30 FEEDLO N#Cc1ccc(CNC(=O)C[N@H+]2CCO[C@]3(CCc4ccccc43)C2)cc1 ZINC000371033809 557052936 /nfs/dbraw/zinc/05/29/36/557052936.db2.gz HHUSWJWAAGODOB-JOCHJYFZSA-N 1 2 361.445 2.348 20 30 FEEDLO N#Cc1cccc(-c2c[nH]c(CNC(=O)c3ccc(-n4cc[nH+]c4)nc3)n2)c1 ZINC000371254157 557121000 /nfs/dbraw/zinc/12/10/00/557121000.db2.gz SGNMBFFTJLXDPK-UHFFFAOYSA-N 1 2 369.388 2.459 20 30 FEEDLO C=CCOc1ccc(C[NH+]2CCN(c3ccc(=O)[nH]n3)CC2)cc1OC ZINC000371330297 557148857 /nfs/dbraw/zinc/14/88/57/557148857.db2.gz AUPHWRQVAIWOCD-UHFFFAOYSA-N 1 2 356.426 2.078 20 30 FEEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000371433506 557185940 /nfs/dbraw/zinc/18/59/40/557185940.db2.gz XAQNVHGROCSYCB-INIZCTEOSA-N 1 2 361.409 2.243 20 30 FEEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CC[C@](O)(c3ccc(F)cc3)C2)c1 ZINC000371525761 557210274 /nfs/dbraw/zinc/21/02/74/557210274.db2.gz NUGXNVIDTMWPJO-LJQANCHMSA-N 1 2 374.437 2.065 20 30 FEEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CC[C@](O)(c3ccc(F)cc3)C2)c1 ZINC000371525761 557210276 /nfs/dbraw/zinc/21/02/76/557210276.db2.gz NUGXNVIDTMWPJO-LJQANCHMSA-N 1 2 374.437 2.065 20 30 FEEDLO C=CC[C@H](CO)NC(=O)N[C@H]1CC[N@H+](C2CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000371807662 557298827 /nfs/dbraw/zinc/29/88/27/557298827.db2.gz CHMGGXGCWWOFKZ-JEBQAFNWSA-N 1 2 365.424 2.479 20 30 FEEDLO C=CC[C@H](CO)NC(=O)N[C@H]1CC[N@@H+](C2CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000371807662 557298828 /nfs/dbraw/zinc/29/88/28/557298828.db2.gz CHMGGXGCWWOFKZ-JEBQAFNWSA-N 1 2 365.424 2.479 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@]3(CNC(=O)O3)C2)c1 ZINC000372616527 557522341 /nfs/dbraw/zinc/52/23/41/557522341.db2.gz DTHZXPUFENJUGD-FQEVSTJZSA-N 1 2 370.453 2.125 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCC[C@]3(CNC(=O)O3)C2)c1 ZINC000372616527 557522343 /nfs/dbraw/zinc/52/23/43/557522343.db2.gz DTHZXPUFENJUGD-FQEVSTJZSA-N 1 2 370.453 2.125 20 30 FEEDLO CCN1CCC([N@H+](CCS(=O)(=O)c2cccc(C#N)c2)C2CC2)CC1 ZINC000373224413 557653267 /nfs/dbraw/zinc/65/32/67/557653267.db2.gz TYVWUPBPQJARGP-UHFFFAOYSA-N 1 2 361.511 2.281 20 30 FEEDLO CCN1CCC([N@@H+](CCS(=O)(=O)c2cccc(C#N)c2)C2CC2)CC1 ZINC000373224413 557653268 /nfs/dbraw/zinc/65/32/68/557653268.db2.gz TYVWUPBPQJARGP-UHFFFAOYSA-N 1 2 361.511 2.281 20 30 FEEDLO CN(CCC#N)C(=O)CC[N@@H+]1CCOc2c(Br)cccc2C1 ZINC000373405015 557687954 /nfs/dbraw/zinc/68/79/54/557687954.db2.gz NLVJRMNKXLWTCF-UHFFFAOYSA-N 1 2 366.259 2.406 20 30 FEEDLO CN(CCC#N)C(=O)CC[N@H+]1CCOc2c(Br)cccc2C1 ZINC000373405015 557687955 /nfs/dbraw/zinc/68/79/55/557687955.db2.gz NLVJRMNKXLWTCF-UHFFFAOYSA-N 1 2 366.259 2.406 20 30 FEEDLO Cc1ccc(C(=O)N2CCC3(CC2)NC(=O)C2(CCCCC2)[NH2+]3)cc1C#N ZINC000374249439 557850335 /nfs/dbraw/zinc/85/03/35/557850335.db2.gz NRVOFKWGJLMOIV-UHFFFAOYSA-N 1 2 366.465 2.221 20 30 FEEDLO N#Cc1ccc(N2CCN(C(=O)c3cccc(-n4cc[nH+]c4)c3)CC2)cn1 ZINC000374774939 557929254 /nfs/dbraw/zinc/92/92/54/557929254.db2.gz HHDHUTZPKZRBIR-UHFFFAOYSA-N 1 2 358.405 2.101 20 30 FEEDLO O=S(=O)(C1CC1)N1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000374819983 557936084 /nfs/dbraw/zinc/93/60/84/557936084.db2.gz ARRSJJCPMZVROA-UHFFFAOYSA-N 1 2 352.887 2.191 20 30 FEEDLO O=S(=O)(C1CC1)N1CCC[N@H+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000374819983 557936086 /nfs/dbraw/zinc/93/60/86/557936086.db2.gz ARRSJJCPMZVROA-UHFFFAOYSA-N 1 2 352.887 2.191 20 30 FEEDLO CN1c2ccccc2C(C)(C)/C1=C/C(=O)C[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000375327215 558009507 /nfs/dbraw/zinc/00/95/07/558009507.db2.gz HZNPAVVQBDSUTP-SMLKNPDNSA-N 1 2 351.454 2.406 20 30 FEEDLO CN1c2ccccc2C(C)(C)/C1=C/C(=O)C[N@H+]1CC[C@@H](n2cncn2)C1 ZINC000375327215 558009509 /nfs/dbraw/zinc/00/95/09/558009509.db2.gz HZNPAVVQBDSUTP-SMLKNPDNSA-N 1 2 351.454 2.406 20 30 FEEDLO C=C[C@](C)(CCOC)C(=O)N1CCC[C@H]([N@H+](C)Cc2noc(C)n2)CC1 ZINC000375345742 558012916 /nfs/dbraw/zinc/01/29/16/558012916.db2.gz RBRKGNHSIVAUGY-QFBILLFUSA-N 1 2 364.490 2.420 20 30 FEEDLO C=C[C@](C)(CCOC)C(=O)N1CCC[C@H]([N@@H+](C)Cc2noc(C)n2)CC1 ZINC000375345742 558012917 /nfs/dbraw/zinc/01/29/17/558012917.db2.gz RBRKGNHSIVAUGY-QFBILLFUSA-N 1 2 364.490 2.420 20 30 FEEDLO Cc1oc(NC(=O)C[N@@H+]2CC[C@H](c3nc(C4CC4)no3)C2)c(C#N)c1C ZINC000375465298 558032188 /nfs/dbraw/zinc/03/21/88/558032188.db2.gz HYDIQINSLDRSCR-ZDUSSCGKSA-N 1 2 355.398 2.457 20 30 FEEDLO Cc1oc(NC(=O)C[N@H+]2CC[C@H](c3nc(C4CC4)no3)C2)c(C#N)c1C ZINC000375465298 558032189 /nfs/dbraw/zinc/03/21/89/558032189.db2.gz HYDIQINSLDRSCR-ZDUSSCGKSA-N 1 2 355.398 2.457 20 30 FEEDLO CO[C@@H](C)c1noc(C[N@@H+]2CCCN(c3ccc(C)c(C#N)n3)CC2)n1 ZINC000376415270 558170011 /nfs/dbraw/zinc/17/00/11/558170011.db2.gz ONJWTSVVBSTWCT-AWEZNQCLSA-N 1 2 356.430 2.064 20 30 FEEDLO CO[C@@H](C)c1noc(C[N@H+]2CCCN(c3ccc(C)c(C#N)n3)CC2)n1 ZINC000376415270 558170012 /nfs/dbraw/zinc/17/00/12/558170012.db2.gz ONJWTSVVBSTWCT-AWEZNQCLSA-N 1 2 356.430 2.064 20 30 FEEDLO Cc1nnc([C@@H]2CC[N@H+](CC(=O)N(CCC#N)c3cc(C)cc(C)c3)C2)[nH]1 ZINC000521829387 562184230 /nfs/dbraw/zinc/18/42/30/562184230.db2.gz WCHMCBWBXBAWDT-QGZVFWFLSA-N 1 2 366.469 2.466 20 30 FEEDLO Cc1nnc([C@@H]2CC[N@@H+](CC(=O)N(CCC#N)c3cc(C)cc(C)c3)C2)[nH]1 ZINC000521829387 562184231 /nfs/dbraw/zinc/18/42/31/562184231.db2.gz WCHMCBWBXBAWDT-QGZVFWFLSA-N 1 2 366.469 2.466 20 30 FEEDLO Cc1n[nH]c([C@@H]2CC[N@H+](CC(=O)N(CCC#N)c3cc(C)cc(C)c3)C2)n1 ZINC000521829387 562184232 /nfs/dbraw/zinc/18/42/32/562184232.db2.gz WCHMCBWBXBAWDT-QGZVFWFLSA-N 1 2 366.469 2.466 20 30 FEEDLO Cc1n[nH]c([C@@H]2CC[N@@H+](CC(=O)N(CCC#N)c3cc(C)cc(C)c3)C2)n1 ZINC000521829387 562184233 /nfs/dbraw/zinc/18/42/33/562184233.db2.gz WCHMCBWBXBAWDT-QGZVFWFLSA-N 1 2 366.469 2.466 20 30 FEEDLO Cc1nc([C@@H]2CC[N@H+](CC(=O)N(CCC#N)c3cc(C)cc(C)c3)C2)n[nH]1 ZINC000521829387 562184234 /nfs/dbraw/zinc/18/42/34/562184234.db2.gz WCHMCBWBXBAWDT-QGZVFWFLSA-N 1 2 366.469 2.466 20 30 FEEDLO Cc1nc([C@@H]2CC[N@@H+](CC(=O)N(CCC#N)c3cc(C)cc(C)c3)C2)n[nH]1 ZINC000521829387 562184235 /nfs/dbraw/zinc/18/42/35/562184235.db2.gz WCHMCBWBXBAWDT-QGZVFWFLSA-N 1 2 366.469 2.466 20 30 FEEDLO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000523120752 562208716 /nfs/dbraw/zinc/20/87/16/562208716.db2.gz WGLYAOBIWDJPQE-UHFFFAOYSA-N 1 2 364.365 2.399 20 30 FEEDLO Cn1cc[nH+]c1[C@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2C#N)C1 ZINC000378261398 558514190 /nfs/dbraw/zinc/51/41/90/558514190.db2.gz BMBCXRBCQRDFFA-NSHDSACASA-N 1 2 350.831 2.123 20 30 FEEDLO Cn1cc[nH+]c1[C@@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2C#N)C1 ZINC000378261393 558514384 /nfs/dbraw/zinc/51/43/84/558514384.db2.gz BMBCXRBCQRDFFA-LLVKDONJSA-N 1 2 350.831 2.123 20 30 FEEDLO C=CCOCCNC(=O)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000378594313 558590682 /nfs/dbraw/zinc/59/06/82/558590682.db2.gz XHYHBALWRDKAIR-UHFFFAOYSA-N 1 2 368.437 2.144 20 30 FEEDLO C[C@@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000408394549 558673521 /nfs/dbraw/zinc/67/35/21/558673521.db2.gz JUMVKUSBIHZWFV-WDEREUQCSA-N 1 2 372.288 2.034 20 30 FEEDLO C[C@@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000408394549 558673522 /nfs/dbraw/zinc/67/35/22/558673522.db2.gz JUMVKUSBIHZWFV-WDEREUQCSA-N 1 2 372.288 2.034 20 30 FEEDLO CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000409554945 558702989 /nfs/dbraw/zinc/70/29/89/558702989.db2.gz RAOGOBJEVNNCOB-XJKSGUPXSA-N 1 2 372.922 2.259 20 30 FEEDLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)[C@H](C)n2cnc(C#N)n2)CC1 ZINC000409752150 558718222 /nfs/dbraw/zinc/71/82/22/558718222.db2.gz HQVMPNYSZGAFDX-KGLIPLIRSA-N 1 2 372.860 2.270 20 30 FEEDLO C[C@H](C(=O)N1CC[NH+]([C@H](C)c2ccc(Cl)cc2)CC1)n1cnc(C#N)n1 ZINC000409752155 558718303 /nfs/dbraw/zinc/71/83/03/558718303.db2.gz HQVMPNYSZGAFDX-ZIAGYGMSSA-N 1 2 372.860 2.270 20 30 FEEDLO C=CCCCN(C)C(=O)C(=O)N1CC[NH+](Cc2ccc(CC)s2)CC1 ZINC000410484089 558766607 /nfs/dbraw/zinc/76/66/07/558766607.db2.gz FVZMCLUENQVOQU-UHFFFAOYSA-N 1 2 363.527 2.379 20 30 FEEDLO N#CC1(NC(=O)C[N@@H+]2CCCC[C@@H]2CNC(=O)Nc2ccccc2)CCC1 ZINC000525886233 562258619 /nfs/dbraw/zinc/25/86/19/562258619.db2.gz ITOBJXMIADAMDX-QGZVFWFLSA-N 1 2 369.469 2.225 20 30 FEEDLO N#CC1(NC(=O)C[N@H+]2CCCC[C@@H]2CNC(=O)Nc2ccccc2)CCC1 ZINC000525886233 562258620 /nfs/dbraw/zinc/25/86/20/562258620.db2.gz ITOBJXMIADAMDX-QGZVFWFLSA-N 1 2 369.469 2.225 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2C[C@H](O)C[C@@H]2c2ccccc2)cc1 ZINC000411958035 558995029 /nfs/dbraw/zinc/99/50/29/558995029.db2.gz XBBQRVYBMFHTRA-IEBWSBKVSA-N 1 2 356.447 2.140 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2C[C@H](O)C[C@@H]2c2ccccc2)cc1 ZINC000411958035 558995030 /nfs/dbraw/zinc/99/50/30/558995030.db2.gz XBBQRVYBMFHTRA-IEBWSBKVSA-N 1 2 356.447 2.140 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2C[C@@H](O)C[C@H]2c2ccccc2)cc1 ZINC000411958033 558995062 /nfs/dbraw/zinc/99/50/62/558995062.db2.gz XBBQRVYBMFHTRA-HKUYNNGSSA-N 1 2 356.447 2.140 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2C[C@@H](O)C[C@H]2c2ccccc2)cc1 ZINC000411958033 558995063 /nfs/dbraw/zinc/99/50/63/558995063.db2.gz XBBQRVYBMFHTRA-HKUYNNGSSA-N 1 2 356.447 2.140 20 30 FEEDLO COc1cc(Cl)c(F)c(C(=O)N(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000412117164 559015135 /nfs/dbraw/zinc/01/51/35/559015135.db2.gz ASVWDWCNJBLLMJ-UHFFFAOYSA-N 1 2 369.824 2.176 20 30 FEEDLO COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)C[C@@H](CC#N)c2ccccc2)C1 ZINC000412376706 559032019 /nfs/dbraw/zinc/03/20/19/559032019.db2.gz XOJKMZJLFJYBIL-SJLPKXTDSA-N 1 2 357.454 2.075 20 30 FEEDLO COC(=O)C[N@H+]1CCC[C@H](CNC(=O)C[C@@H](CC#N)c2ccccc2)C1 ZINC000412376706 559032021 /nfs/dbraw/zinc/03/20/21/559032021.db2.gz XOJKMZJLFJYBIL-SJLPKXTDSA-N 1 2 357.454 2.075 20 30 FEEDLO COc1cc(CNc2cc(N3CC[C@@H]([C@@H](C)O)C3)nc[nH+]2)ccc1C#N ZINC000413318252 559098456 /nfs/dbraw/zinc/09/84/56/559098456.db2.gz ZVOAOSZFPQVMEL-CZUORRHYSA-N 1 2 353.426 2.176 20 30 FEEDLO COc1cc(CNc2cc(N3CC[C@@H]([C@@H](C)O)C3)[nH+]cn2)ccc1C#N ZINC000413318252 559098457 /nfs/dbraw/zinc/09/84/57/559098457.db2.gz ZVOAOSZFPQVMEL-CZUORRHYSA-N 1 2 353.426 2.176 20 30 FEEDLO COc1ccc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1N ZINC000415817015 559274398 /nfs/dbraw/zinc/27/43/98/559274398.db2.gz PPIYQYYFZFPCBA-UHFFFAOYSA-N 1 2 365.437 2.499 20 30 FEEDLO CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1S(=O)(=O)[C@@H](C)C#N ZINC000416447143 559313529 /nfs/dbraw/zinc/31/35/29/559313529.db2.gz QYJLBJUWCGTFCR-QILLFSRXSA-N 1 2 364.515 2.164 20 30 FEEDLO CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1S(=O)(=O)[C@@H](C)C#N ZINC000416447143 559313530 /nfs/dbraw/zinc/31/35/30/559313530.db2.gz QYJLBJUWCGTFCR-QILLFSRXSA-N 1 2 364.515 2.164 20 30 FEEDLO CC(C)[N@@H+]1CC[C@H](NS(=O)(=O)[C@@H](C)C#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000416458347 559314409 /nfs/dbraw/zinc/31/44/09/559314409.db2.gz QAWOBBZNYFNXHH-UVBJJODRSA-N 1 2 357.426 2.320 20 30 FEEDLO CC(C)[N@H+]1CC[C@H](NS(=O)(=O)[C@@H](C)C#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000416458347 559314410 /nfs/dbraw/zinc/31/44/10/559314410.db2.gz QAWOBBZNYFNXHH-UVBJJODRSA-N 1 2 357.426 2.320 20 30 FEEDLO COc1cc[nH+]cc1NC(=O)C(=O)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000419825147 559461234 /nfs/dbraw/zinc/46/12/34/559461234.db2.gz UVHVEWHGUSXXGL-OAHLLOKOSA-N 1 2 350.378 2.094 20 30 FEEDLO C[C@@H]1CN(c2ccc(CNC(=O)NCc3ccc(C#N)s3)c[nH+]2)CCO1 ZINC000420780337 559503957 /nfs/dbraw/zinc/50/39/57/559503957.db2.gz NIPXQFDEVUQMTL-CYBMUJFWSA-N 1 2 371.466 2.239 20 30 FEEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000527295466 562284052 /nfs/dbraw/zinc/28/40/52/562284052.db2.gz HYIOVDGRNJUEEC-QGZVFWFLSA-N 1 2 365.481 2.017 20 30 FEEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000527295466 562284053 /nfs/dbraw/zinc/28/40/53/562284053.db2.gz HYIOVDGRNJUEEC-QGZVFWFLSA-N 1 2 365.481 2.017 20 30 FEEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000422533769 559593336 /nfs/dbraw/zinc/59/33/36/559593336.db2.gz XWDXCPRYXQAYHQ-MSOLQXFVSA-N 1 2 366.465 2.419 20 30 FEEDLO C=CCCn1cc(C(=O)NCCc2[nH+]ccn2Cc2ccccc2)nn1 ZINC000424569648 559669733 /nfs/dbraw/zinc/66/97/33/559669733.db2.gz VFZSISKJGPVNNQ-UHFFFAOYSA-N 1 2 350.426 2.072 20 30 FEEDLO COC(=O)Cc1csc(NC(=O)C[N@H+](C)[C@H](C)c2cccc(C#N)c2)n1 ZINC000425540414 559708635 /nfs/dbraw/zinc/70/86/35/559708635.db2.gz VGODDNXTWBBPKS-GFCCVEGCSA-N 1 2 372.450 2.362 20 30 FEEDLO COC(=O)Cc1csc(NC(=O)C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)n1 ZINC000425540414 559708636 /nfs/dbraw/zinc/70/86/36/559708636.db2.gz VGODDNXTWBBPKS-GFCCVEGCSA-N 1 2 372.450 2.362 20 30 FEEDLO C[C@H]1CN(c2cccc(F)c2)CC[N@@H+]1[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000429228716 559793434 /nfs/dbraw/zinc/79/34/34/559793434.db2.gz AULJXTZFVOTZIF-LIRRHRJNSA-N 1 2 352.413 2.434 20 30 FEEDLO C[C@H]1CN(c2cccc(F)c2)CC[N@H+]1[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000429228716 559793435 /nfs/dbraw/zinc/79/34/35/559793435.db2.gz AULJXTZFVOTZIF-LIRRHRJNSA-N 1 2 352.413 2.434 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@H](C)c1ncc(Br)cn1 ZINC000432993158 559869418 /nfs/dbraw/zinc/86/94/18/559869418.db2.gz QJUAKLPGWCVFGY-JRPNMDOOSA-N 1 2 368.279 2.333 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)s1 ZINC000435423551 559922551 /nfs/dbraw/zinc/92/25/51/559922551.db2.gz VADZUCIULMRHFH-UHFFFAOYSA-N 1 2 358.448 2.343 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000438017612 559973043 /nfs/dbraw/zinc/97/30/43/559973043.db2.gz XPSMDSCVYUNMDV-APWZRJJASA-N 1 2 354.454 2.927 20 30 FEEDLO C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccccc1C#Cc1ccccc1 ZINC000440270082 560007872 /nfs/dbraw/zinc/00/78/72/560007872.db2.gz KWLRDDUNCHBCJK-QGZVFWFLSA-N 1 2 361.445 2.187 20 30 FEEDLO C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccccc1C#Cc1ccccc1 ZINC000440270082 560007873 /nfs/dbraw/zinc/00/78/73/560007873.db2.gz KWLRDDUNCHBCJK-QGZVFWFLSA-N 1 2 361.445 2.187 20 30 FEEDLO N#Cc1cccc(-c2nnc(C[NH2+][C@]3(CO)CCOc4ccccc43)o2)c1 ZINC000440480416 560011849 /nfs/dbraw/zinc/01/18/49/560011849.db2.gz JZKOVPDFJQCMOI-FQEVSTJZSA-N 1 2 362.389 2.368 20 30 FEEDLO CCc1nnc(N2CC[C@@](C)([NH2+]CC(=O)OC(C)(C)C)C2)c(C#N)c1CC ZINC000440638260 560015229 /nfs/dbraw/zinc/01/52/29/560015229.db2.gz PVGSEUIYMZGBAL-HXUWFJFHSA-N 1 2 373.501 2.373 20 30 FEEDLO C=C(C)CS(=O)(=O)N1CC[N@@H+](Cc2ccccc2OCC)C[C@@H]1C ZINC000443074777 560069413 /nfs/dbraw/zinc/06/94/13/560069413.db2.gz AGWJBSITPPFZFW-INIZCTEOSA-N 1 2 352.500 2.497 20 30 FEEDLO C=C(C)CS(=O)(=O)N1CC[N@H+](Cc2ccccc2OCC)C[C@@H]1C ZINC000443074777 560069414 /nfs/dbraw/zinc/06/94/14/560069414.db2.gz AGWJBSITPPFZFW-INIZCTEOSA-N 1 2 352.500 2.497 20 30 FEEDLO CN(C)c1ccc(CNS(=O)(=O)c2cccc(Cl)c2C#N)c[nH+]1 ZINC000443100571 560070796 /nfs/dbraw/zinc/07/07/96/560070796.db2.gz AQCFNMMJBFDOFI-UHFFFAOYSA-N 1 2 350.831 2.151 20 30 FEEDLO N#Cc1ccc([C@@H](C(N)=O)[NH+]2CCC(Oc3ncccc3F)CC2)cc1 ZINC000447368825 560160965 /nfs/dbraw/zinc/16/09/65/560160965.db2.gz RIZDCSKNWCSZBE-KRWDZBQOSA-N 1 2 354.385 2.162 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000448624571 560192881 /nfs/dbraw/zinc/19/28/81/560192881.db2.gz ZUBPVNNZXVEEMS-WBVHZDCISA-N 1 2 364.873 2.454 20 30 FEEDLO Cn1c(C#N)ccc1C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000450315369 560258206 /nfs/dbraw/zinc/25/82/06/560258206.db2.gz CVMPQLNJKZXHAY-MSOLQXFVSA-N 1 2 372.856 2.352 20 30 FEEDLO Cn1c(C#N)ccc1C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000450315369 560258207 /nfs/dbraw/zinc/25/82/07/560258207.db2.gz CVMPQLNJKZXHAY-MSOLQXFVSA-N 1 2 372.856 2.352 20 30 FEEDLO N#Cc1ccc(N(CC[NH+]2CCOCC2)Cc2ccco2)cc1[N+](=O)[O-] ZINC000450937538 560279245 /nfs/dbraw/zinc/27/92/45/560279245.db2.gz ICDHQYQJTXSGER-UHFFFAOYSA-N 1 2 356.382 2.398 20 30 FEEDLO C[C@@H]1CN(CC(F)(F)F)CC[N@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000451873043 560333551 /nfs/dbraw/zinc/33/35/51/560333551.db2.gz NUUNATRRVZCMHG-ZDUSSCGKSA-N 1 2 354.376 2.313 20 30 FEEDLO C[C@@H]1CN(CC(F)(F)F)CC[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000451873043 560333552 /nfs/dbraw/zinc/33/35/52/560333552.db2.gz NUUNATRRVZCMHG-ZDUSSCGKSA-N 1 2 354.376 2.313 20 30 FEEDLO N#Cc1ccc(NC(=O)C[N@H+]2CC[C@H]([C@H](O)C(F)(F)F)C2)cc1Cl ZINC000451880857 560333995 /nfs/dbraw/zinc/33/39/95/560333995.db2.gz AGZXFZRCTQPWQT-HZMBPMFUSA-N 1 2 361.751 2.395 20 30 FEEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CC[C@H]([C@H](O)C(F)(F)F)C2)cc1Cl ZINC000451880857 560333996 /nfs/dbraw/zinc/33/39/96/560333996.db2.gz AGZXFZRCTQPWQT-HZMBPMFUSA-N 1 2 361.751 2.395 20 30 FEEDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)C(=O)Nc1ccc(C#N)c(C)n1 ZINC000453729177 560400068 /nfs/dbraw/zinc/40/00/68/560400068.db2.gz GVZJTHTZSNUPAN-OAHLLOKOSA-N 1 2 366.425 2.170 20 30 FEEDLO Cc1c(C#N)cccc1NC(=O)C(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C ZINC000453821337 560406138 /nfs/dbraw/zinc/40/61/38/560406138.db2.gz BAQUKZWJDANDFM-HNNXBMFYSA-N 1 2 351.410 2.148 20 30 FEEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)Nc3ccc(OC(C)(C)C)c(C#N)c3)C[C@@H]21 ZINC000455776073 560494597 /nfs/dbraw/zinc/49/45/97/560494597.db2.gz RUIQPIAOQMQRFH-RDJZCZTQSA-N 1 2 358.442 2.282 20 30 FEEDLO C[N@H+]1CCO[C@H]2CN(C(=O)Nc3ccc(OC(C)(C)C)c(C#N)c3)C[C@@H]21 ZINC000455776073 560494598 /nfs/dbraw/zinc/49/45/98/560494598.db2.gz RUIQPIAOQMQRFH-RDJZCZTQSA-N 1 2 358.442 2.282 20 30 FEEDLO C=CCC[C@@H](CO)NC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(OC)cc1 ZINC000457554352 560574272 /nfs/dbraw/zinc/57/42/72/560574272.db2.gz FEUSUUQIVBLKLO-RDJZCZTQSA-N 1 2 358.442 2.144 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1NC(=O)N(Cc1ccccc1)[C@H](C)C[NH+]1CCOCC1 ZINC000459014304 560661807 /nfs/dbraw/zinc/66/18/07/560661807.db2.gz FGTMGKFFRGLXCD-RLLQIKCJSA-N 1 2 373.497 2.262 20 30 FEEDLO COc1cc(C[NH+]2CCN(C(=O)NCC(C)(C)CC#N)CC2)cc(OC)c1 ZINC000459259487 560676512 /nfs/dbraw/zinc/67/65/12/560676512.db2.gz OCHQMKSQHFTPJO-UHFFFAOYSA-N 1 2 374.485 2.471 20 30 FEEDLO N#Cc1cccc([N+](=O)[O-])c1C[NH+]1CCC(c2ccnn2CCO)CC1 ZINC000459330672 560680076 /nfs/dbraw/zinc/68/00/76/560680076.db2.gz TYJJHOMZWMRRFI-UHFFFAOYSA-N 1 2 355.398 2.035 20 30 FEEDLO Cc1noc(C)c1C[NH+]1CCN(Cc2c(C#N)cccc2[N+](=O)[O-])CC1 ZINC000459351209 560681487 /nfs/dbraw/zinc/68/14/87/560681487.db2.gz KSNBHZNCBSYJPT-UHFFFAOYSA-N 1 2 355.398 2.389 20 30 FEEDLO CNC(=O)NC1C[NH+](Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000459610866 560697722 /nfs/dbraw/zinc/69/77/22/560697722.db2.gz NUOWXTMCMLHXKC-UHFFFAOYSA-N 1 2 350.422 2.250 20 30 FEEDLO C=CCN(Cc1ccccc1)C(=O)C(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000459995973 560727319 /nfs/dbraw/zinc/72/73/19/560727319.db2.gz OZAJOSGOXXAXKR-UHFFFAOYSA-N 1 2 366.465 2.393 20 30 FEEDLO CC(C)C[C@@H](CNS(=O)(=O)CC1(C#N)CCCCC1)[NH+]1CCOCC1 ZINC000460473545 560744217 /nfs/dbraw/zinc/74/42/17/560744217.db2.gz TZNXRACDSOUWAR-KRWDZBQOSA-N 1 2 371.547 2.127 20 30 FEEDLO C=C[C@H](CO)NC(=O)N[C@@H]1CC[N@@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000460644673 560748173 /nfs/dbraw/zinc/74/81/73/560748173.db2.gz DWUANECVQUDONQ-WQVCFCJDSA-N 1 2 355.841 2.461 20 30 FEEDLO C=C[C@H](CO)NC(=O)N[C@@H]1CC[N@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000460644673 560748174 /nfs/dbraw/zinc/74/81/74/560748174.db2.gz DWUANECVQUDONQ-WQVCFCJDSA-N 1 2 355.841 2.461 20 30 FEEDLO COc1cc(C#N)ccc1S(=O)(=O)Nc1cc(C)nn1-c1cc[nH+]cc1 ZINC000464409905 560840913 /nfs/dbraw/zinc/84/09/13/560840913.db2.gz IGPIRNPUSNSBJH-UHFFFAOYSA-N 1 2 369.406 2.257 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)CCSCc1ccccc1 ZINC000471952810 561014890 /nfs/dbraw/zinc/01/48/90/561014890.db2.gz IWVXKWFOIDNFTA-UHFFFAOYSA-N 1 2 361.511 2.384 20 30 FEEDLO Cn1cc[nH+]c1[C@@H](NS(=O)(=O)CC1(C#N)CCC1)c1cccc(F)c1 ZINC000474589905 561077708 /nfs/dbraw/zinc/07/77/08/561077708.db2.gz YJQGMLQILJRIAS-HNNXBMFYSA-N 1 2 362.430 2.262 20 30 FEEDLO Cn1cc(C[NH+]2CCN(C(=O)C[C@@H](CC#N)c3ccccc3)CC2)cn1 ZINC000475655031 561101476 /nfs/dbraw/zinc/10/14/76/561101476.db2.gz XARQWODRIFDQSM-LJQANCHMSA-N 1 2 351.454 2.152 20 30 FEEDLO N#Cc1ccccc1OC[C@@H](O)C[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000528357595 562324604 /nfs/dbraw/zinc/32/46/04/562324604.db2.gz IIHXUNCHBFGPAJ-IBGZPJMESA-N 1 2 371.481 2.022 20 30 FEEDLO C[C@H](c1cccnc1)[NH+]1CCN(C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000528385579 562326249 /nfs/dbraw/zinc/32/62/49/562326249.db2.gz CQKMGYWSMASMQF-YLJYHZDGSA-N 1 2 366.465 2.072 20 30 FEEDLO COCc1ccc(NC(=O)N[C@@H]2CCO[C@@H](c3c[nH+]cn3C)C2)cc1C#N ZINC000529210809 562364952 /nfs/dbraw/zinc/36/49/52/562364952.db2.gz IIEXDWNAQASCGV-SJLPKXTDSA-N 1 2 369.425 2.480 20 30 FEEDLO Cc1nn(C)c(N2CC[NH+](Cc3cn4ccccc4c3C#N)CC2)c1C#N ZINC000530360886 562408289 /nfs/dbraw/zinc/40/82/89/562408289.db2.gz CGBQCYWXZOWLJH-UHFFFAOYSA-N 1 2 359.437 2.047 20 30 FEEDLO N#CCN1CCC[C@@H](CNC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)C1 ZINC000530639780 562418599 /nfs/dbraw/zinc/41/85/99/562418599.db2.gz XDGWLPSQAKHHHJ-PKOBYXMFSA-N 1 2 372.538 2.128 20 30 FEEDLO COC(=O)[C@H]1CC[N@H+](CC(=O)Nc2ccccc2SC[C@@H](C)C#N)C1 ZINC000532503474 562479678 /nfs/dbraw/zinc/47/96/78/562479678.db2.gz YMJRWVNSFQSBDV-KBPBESRZSA-N 1 2 361.467 2.372 20 30 FEEDLO COC(=O)[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2SC[C@@H](C)C#N)C1 ZINC000532503474 562479679 /nfs/dbraw/zinc/47/96/79/562479679.db2.gz YMJRWVNSFQSBDV-KBPBESRZSA-N 1 2 361.467 2.372 20 30 FEEDLO COC(=O)c1cccc(CN2CC[NH+](Cc3c(C)noc3C)CC2)c1C#N ZINC000535208146 562553199 /nfs/dbraw/zinc/55/31/99/562553199.db2.gz VXTKFHXCCCLFLJ-UHFFFAOYSA-N 1 2 368.437 2.268 20 30 FEEDLO Cc1ccc(C#N)cc1NC(=O)C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000535263714 562554418 /nfs/dbraw/zinc/55/44/18/562554418.db2.gz BMTRJTAYTXYNTH-UHFFFAOYSA-N 1 2 368.462 2.211 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+](C)CCNC(=O)N(C)C)c1 ZINC000540827754 562594176 /nfs/dbraw/zinc/59/41/76/562594176.db2.gz MLYCQFAJVDMTSD-QGZVFWFLSA-N 1 2 373.501 2.142 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)CCNC(=O)N(C)C)c1 ZINC000540827754 562594177 /nfs/dbraw/zinc/59/41/77/562594177.db2.gz MLYCQFAJVDMTSD-QGZVFWFLSA-N 1 2 373.501 2.142 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@H](C)c1cn(-c2ccccc2)nn1 ZINC000541691613 562617912 /nfs/dbraw/zinc/61/79/12/562617912.db2.gz UMBSQZSKXHEJML-VCBZYWHSSA-N 1 2 354.458 2.361 20 30 FEEDLO C=CCOc1c(Cl)cc(C[N@@H+]2CC[C@@H]3OCC(=O)N[C@H]3C2)cc1OC ZINC000628304860 567829339 /nfs/dbraw/zinc/82/93/39/567829339.db2.gz YIVZVACANKGHIN-GJZGRUSLSA-N 1 2 366.845 2.003 20 30 FEEDLO C=CCOc1c(Cl)cc(C[N@H+]2CC[C@@H]3OCC(=O)N[C@H]3C2)cc1OC ZINC000628304860 567829341 /nfs/dbraw/zinc/82/93/41/567829341.db2.gz YIVZVACANKGHIN-GJZGRUSLSA-N 1 2 366.845 2.003 20 30 FEEDLO N#C[C@H]1CN(Cc2cc3c(c[nH+]2)OCCO3)CCN1Cc1ccccc1 ZINC000602427928 567979314 /nfs/dbraw/zinc/97/93/14/567979314.db2.gz LOSZRKLLTOOJHA-SFHVURJKSA-N 1 2 350.422 2.063 20 30 FEEDLO C[C@@H]1C[NH+](Cc2csc(-c3ccc(C(N)=O)cc3)n2)C[C@@H](C)N1CC#N ZINC000602852258 568001651 /nfs/dbraw/zinc/00/16/51/568001651.db2.gz AKIPEODGEJUHGK-ZIAGYGMSSA-N 1 2 369.494 2.327 20 30 FEEDLO C[N@H+](Cc1ccc(S(N)(=O)=O)c(Br)c1)CC(C)(C)C#N ZINC000602675499 568008959 /nfs/dbraw/zinc/00/89/59/568008959.db2.gz LTCMFVHNPGMPOV-UHFFFAOYSA-N 1 2 360.277 2.078 20 30 FEEDLO C[N@@H+](Cc1ccc(S(N)(=O)=O)c(Br)c1)CC(C)(C)C#N ZINC000602675499 568008961 /nfs/dbraw/zinc/00/89/61/568008961.db2.gz LTCMFVHNPGMPOV-UHFFFAOYSA-N 1 2 360.277 2.078 20 30 FEEDLO Cn1cc([C@H]2C[N@H+](CC3(CC#N)CC3)CCN2CC2(CC#N)CC2)cn1 ZINC000602803793 568037475 /nfs/dbraw/zinc/03/74/75/568037475.db2.gz GDDNYQNWQVKPCH-GOSISDBHSA-N 1 2 352.486 2.467 20 30 FEEDLO Cn1cc([C@H]2C[N@@H+](CC3(CC#N)CC3)CCN2CC2(CC#N)CC2)cn1 ZINC000602803793 568037476 /nfs/dbraw/zinc/03/74/76/568037476.db2.gz GDDNYQNWQVKPCH-GOSISDBHSA-N 1 2 352.486 2.467 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCCOCC3CCC3)CC2)cc1 ZINC000568578456 568059052 /nfs/dbraw/zinc/05/90/52/568059052.db2.gz NRJPQRWYPXUVDZ-UHFFFAOYSA-N 1 2 356.470 2.202 20 30 FEEDLO CC#CC[NH2+]Cc1cn(Cc2c3ccccc3oc2C(=O)OCC)nn1 ZINC000603171230 568071050 /nfs/dbraw/zinc/07/10/50/568071050.db2.gz MEDRCLVEVYSEII-UHFFFAOYSA-N 1 2 352.394 2.362 20 30 FEEDLO C=CCC[C@@H](O)Cn1cc(C[NH+]2CCC(C(=O)OC(C)(C)C)CC2)nn1 ZINC000603259396 568079515 /nfs/dbraw/zinc/07/95/15/568079515.db2.gz PMVNZYVPRNHRCQ-QGZVFWFLSA-N 1 2 364.490 2.159 20 30 FEEDLO C=CCNC(=O)NC(=O)C[NH+]1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 ZINC000604276130 568239838 /nfs/dbraw/zinc/23/98/38/568239838.db2.gz GFKMCWXOCZKJPX-RKDXNWHRSA-N 1 2 361.286 2.061 20 30 FEEDLO CC(C)[C@@H](C#N)N1CC[NH+]([C@@H](C)C(=O)N2CCc3sccc3C2)CC1 ZINC000609485175 568343603 /nfs/dbraw/zinc/34/36/03/568343603.db2.gz KUOYXCVXIUGSHD-DOTOQJQBSA-N 1 2 360.527 2.187 20 30 FEEDLO CC(C)[C@H](C#N)N1CC[NH+](CC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 ZINC000609485271 568343744 /nfs/dbraw/zinc/34/37/44/568343744.db2.gz MFKGYZVOJKMPIH-TWJKGYNYSA-N 1 2 358.530 2.237 20 30 FEEDLO Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)Nc2cccc(C#N)n2)cc1 ZINC000584718913 568514020 /nfs/dbraw/zinc/51/40/20/568514020.db2.gz ADVPZSLTBOOOIH-GOSISDBHSA-N 1 2 365.437 2.457 20 30 FEEDLO CNS(=O)(=O)c1cccc2c1CC[N@H+](Cc1ccc(CC#N)cc1)C2 ZINC000556518884 674405529 /nfs/dbraw/zinc/40/55/29/674405529.db2.gz JVMHJGRLKJMKOE-UHFFFAOYSA-N 1 2 355.463 2.219 20 30 FEEDLO CNS(=O)(=O)c1cccc2c1CC[N@@H+](Cc1ccc(CC#N)cc1)C2 ZINC000556518884 674405530 /nfs/dbraw/zinc/40/55/30/674405530.db2.gz JVMHJGRLKJMKOE-UHFFFAOYSA-N 1 2 355.463 2.219 20 30 FEEDLO COC(=O)c1cccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](CO)C2)c1C#N ZINC000556829119 674423028 /nfs/dbraw/zinc/42/30/28/674423028.db2.gz XFXGNGCEIXEXRX-WFASDCNBSA-N 1 2 356.344 2.338 20 30 FEEDLO COC(=O)c1cccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@H](CO)C2)c1C#N ZINC000556829119 674423030 /nfs/dbraw/zinc/42/30/30/674423030.db2.gz XFXGNGCEIXEXRX-WFASDCNBSA-N 1 2 356.344 2.338 20 30 FEEDLO C#CC[N@@H+](CC)CC(=O)Nc1c(-c2nn[nH]n2)c(C)c(C)n1C1CCCC1 ZINC000819697796 606075895 /nfs/dbraw/zinc/07/58/95/606075895.db2.gz KVVTYIOEJTVYHF-UHFFFAOYSA-N 1 2 369.473 2.294 20 30 FEEDLO C#CC[N@H+](CC)CC(=O)Nc1c(-c2nn[nH]n2)c(C)c(C)n1C1CCCC1 ZINC000819697796 606075898 /nfs/dbraw/zinc/07/58/98/606075898.db2.gz KVVTYIOEJTVYHF-UHFFFAOYSA-N 1 2 369.473 2.294 20 30 FEEDLO C#C[C@H](NC(=O)C(=O)Nc1ccc2[nH+]ccn2c1)c1ccc(Cl)cc1 ZINC000810474623 674546267 /nfs/dbraw/zinc/54/62/67/674546267.db2.gz YLPKGZUYSCGPBM-HNNXBMFYSA-N 1 2 352.781 2.417 20 30 FEEDLO N#Cc1ccccc1N1CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC000826387422 608515405 /nfs/dbraw/zinc/51/54/05/608515405.db2.gz UPRCUDSLCYMULH-UHFFFAOYSA-N 1 2 351.439 2.122 20 30 FEEDLO CC[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CCN1c1nc(C#N)c(Cl)s1 ZINC001048731715 675013881 /nfs/dbraw/zinc/01/38/81/675013881.db2.gz IRJCMHZNHFDOPA-CMPLNLGQSA-N 1 2 364.862 2.038 20 30 FEEDLO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@H](C)C#N ZINC000564776341 675060706 /nfs/dbraw/zinc/06/07/06/675060706.db2.gz VJYLCIAUOPIAFG-GHMZBOCLSA-N 1 2 354.248 2.212 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000052909318 670319391 /nfs/dbraw/zinc/31/93/91/670319391.db2.gz PODJKQNONMDDAS-SFHVURJKSA-N 1 2 352.479 2.030 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000106867885 670814815 /nfs/dbraw/zinc/81/48/15/670814815.db2.gz SWIFFXQZWQORQG-DEYYWGMASA-N 1 2 352.479 2.028 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000106867885 670814821 /nfs/dbraw/zinc/81/48/21/670814821.db2.gz SWIFFXQZWQORQG-DEYYWGMASA-N 1 2 352.479 2.028 20 30 FEEDLO C[N@@H+]1CC[C@@H](NS(=O)(=O)CC2(CC#N)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000577341051 671588924 /nfs/dbraw/zinc/58/89/24/671588924.db2.gz NGEGMQLZWKGHCE-HZPDHXFCSA-N 1 2 369.437 2.323 20 30 FEEDLO C[N@H+]1CC[C@@H](NS(=O)(=O)CC2(CC#N)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000577341051 671588926 /nfs/dbraw/zinc/58/89/26/671588926.db2.gz NGEGMQLZWKGHCE-HZPDHXFCSA-N 1 2 369.437 2.323 20 30 FEEDLO C=CCc1ccc(OC[C@@H](O)C[NH2+]Cc2nn(C)cc2Cl)c(OC)c1 ZINC000577386989 671593136 /nfs/dbraw/zinc/59/31/36/671593136.db2.gz YFKWQBZZPDRQIP-AWEZNQCLSA-N 1 2 365.861 2.340 20 30 FEEDLO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1C(F)(F)F ZINC000580306132 671796516 /nfs/dbraw/zinc/79/65/16/671796516.db2.gz RTSHATXTVILFFD-CYBMUJFWSA-N 1 2 361.389 2.091 20 30 FEEDLO CNS(=O)(=O)C[C@H]1CCC[N@H+]1Cc1ccc(C#N)cc1C(F)(F)F ZINC000580306132 671796518 /nfs/dbraw/zinc/79/65/18/671796518.db2.gz RTSHATXTVILFFD-CYBMUJFWSA-N 1 2 361.389 2.091 20 30 FEEDLO C#CCN1CCN(C(=O)C[N@@H+](C)[C@@H](C)c2sc(C(C)C)nc2C)CC1 ZINC000121079229 671941813 /nfs/dbraw/zinc/94/18/13/671941813.db2.gz MDYLMVJZKPGNJA-INIZCTEOSA-N 1 2 362.543 2.345 20 30 FEEDLO C#CCN1CCN(C(=O)C[N@H+](C)[C@@H](C)c2sc(C(C)C)nc2C)CC1 ZINC000121079229 671941818 /nfs/dbraw/zinc/94/18/18/671941818.db2.gz MDYLMVJZKPGNJA-INIZCTEOSA-N 1 2 362.543 2.345 20 30 FEEDLO CC(C)N(CC(F)(F)F)C(=O)CO[NH+]=C(N)c1ccc2c(c1)CCO2 ZINC000158182587 672266951 /nfs/dbraw/zinc/26/69/51/672266951.db2.gz VWQNNOTXHXWKGW-UHFFFAOYSA-N 1 2 359.348 2.058 20 30 FEEDLO N#Cc1cc(CN2CC[NH+]([C@@H](CO)c3ccc(Cl)cc3)CC2)ccn1 ZINC000610992713 676009477 /nfs/dbraw/zinc/00/94/77/676009477.db2.gz DKBITXNAZCYODY-IBGZPJMESA-N 1 2 356.857 2.458 20 30 FEEDLO COC(=O)c1cccc(-c2nc(C[N@@H+]3CC[C@@](O)(CC#N)C3)cs2)c1 ZINC000592151146 672764582 /nfs/dbraw/zinc/76/45/82/672764582.db2.gz MZIUUQOYELNNQO-SFHVURJKSA-N 1 2 357.435 2.447 20 30 FEEDLO COC(=O)c1cccc(-c2nc(C[N@H+]3CC[C@@](O)(CC#N)C3)cs2)c1 ZINC000592151146 672764583 /nfs/dbraw/zinc/76/45/83/672764583.db2.gz MZIUUQOYELNNQO-SFHVURJKSA-N 1 2 357.435 2.447 20 30 FEEDLO N#CC[C@@]1(O)CC[N@@H+]([C@@H]2CCN(c3ccccc3C(F)(F)F)C2=O)C1 ZINC000592151788 672764643 /nfs/dbraw/zinc/76/46/43/672764643.db2.gz PVDOKAODFKDSGN-GDBMZVCRSA-N 1 2 353.344 2.161 20 30 FEEDLO N#CC[C@@]1(O)CC[N@H+]([C@@H]2CCN(c3ccccc3C(F)(F)F)C2=O)C1 ZINC000592151788 672764646 /nfs/dbraw/zinc/76/46/46/672764646.db2.gz PVDOKAODFKDSGN-GDBMZVCRSA-N 1 2 353.344 2.161 20 30 FEEDLO C=CCn1c(=O)c2ccc(C(=O)NC[C@H]3CCC[N@H+]3C)cc2[nH]c1=S ZINC000194731144 672766808 /nfs/dbraw/zinc/76/68/08/672766808.db2.gz SVJJEAFUBIEYEH-CYBMUJFWSA-N 1 2 358.467 2.069 20 30 FEEDLO C=CCn1c(=O)c2ccc(C(=O)NC[C@H]3CCC[N@@H+]3C)cc2[nH]c1=S ZINC000194731144 672766812 /nfs/dbraw/zinc/76/68/12/672766812.db2.gz SVJJEAFUBIEYEH-CYBMUJFWSA-N 1 2 358.467 2.069 20 30 FEEDLO Cn1cc[nH+]c1[C@H]1CCCN(S(=O)(=O)CC2(C#N)CCCCC2)C1 ZINC000443981575 673225152 /nfs/dbraw/zinc/22/51/52/673225152.db2.gz PGQWLJOPKPMKIO-HNNXBMFYSA-N 1 2 350.488 2.403 20 30 FEEDLO C=CC[N@H+](CC(=O)Nc1sc2c(c1C(=O)OC)CCC2)[C@H](C)COC ZINC000595638649 673277395 /nfs/dbraw/zinc/27/73/95/673277395.db2.gz JPVDZRBHKDBZSY-GFCCVEGCSA-N 1 2 366.483 2.485 20 30 FEEDLO C=CC[N@@H+](CC(=O)Nc1sc2c(c1C(=O)OC)CCC2)[C@H](C)COC ZINC000595638649 673277397 /nfs/dbraw/zinc/27/73/97/673277397.db2.gz JPVDZRBHKDBZSY-GFCCVEGCSA-N 1 2 366.483 2.485 20 30 FEEDLO Cn1ncc(C(F)(F)F)c1C[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000597129349 673450035 /nfs/dbraw/zinc/45/00/35/673450035.db2.gz IUYMAOWVWNWUJS-LBPRGKRZSA-N 1 2 351.332 2.359 20 30 FEEDLO Cn1ncc(C(F)(F)F)c1C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000597129349 673450039 /nfs/dbraw/zinc/45/00/39/673450039.db2.gz IUYMAOWVWNWUJS-LBPRGKRZSA-N 1 2 351.332 2.359 20 30 FEEDLO Cc1cc(C(=O)N(CCn2cc[nH+]c2)C2CCSCC2)ncc1C#N ZINC000597639570 673495405 /nfs/dbraw/zinc/49/54/05/673495405.db2.gz COWFTPDKBXUJFS-UHFFFAOYSA-N 1 2 355.467 2.496 20 30 FEEDLO N#CC1(C[C@@H](O)C[N@@H+]2CCSC[C@@H]2c2nccs2)CCOCC1 ZINC000599373492 673665498 /nfs/dbraw/zinc/66/54/98/673665498.db2.gz XFBPTKBFZUOURG-ZIAGYGMSSA-N 1 2 353.513 2.304 20 30 FEEDLO N#CC1(C[C@@H](O)C[N@H+]2CCSC[C@@H]2c2nccs2)CCOCC1 ZINC000599373492 673665501 /nfs/dbraw/zinc/66/55/01/673665501.db2.gz XFBPTKBFZUOURG-ZIAGYGMSSA-N 1 2 353.513 2.304 20 30 FEEDLO CNC(=O)Cc1nc(C[NH+]2CCC(c3ccc(C#N)cn3)CC2)cs1 ZINC000602911376 673913598 /nfs/dbraw/zinc/91/35/98/673913598.db2.gz YTLRIAMPFQJSQK-UHFFFAOYSA-N 1 2 355.467 2.078 20 30 FEEDLO C[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)C[C@](C)(O)c1ccccc1 ZINC000823607020 675562708 /nfs/dbraw/zinc/56/27/08/675562708.db2.gz XUPCLCMSDSBMII-IBGZPJMESA-N 1 2 358.463 2.171 20 30 FEEDLO C[N@@H+](CCS(=O)(=O)c1cccc(C#N)c1)C[C@](C)(O)c1ccccc1 ZINC000823607020 675562711 /nfs/dbraw/zinc/56/27/11/675562711.db2.gz XUPCLCMSDSBMII-IBGZPJMESA-N 1 2 358.463 2.171 20 30 FEEDLO N#CCc1cccc(S(=O)(=O)NC2CCN(c3cccc[nH+]3)CC2)c1 ZINC000619476600 676379356 /nfs/dbraw/zinc/37/93/56/676379356.db2.gz QGDACYDEQMEFFD-UHFFFAOYSA-N 1 2 356.451 2.095 20 30 FEEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC2CC2)CC1 ZINC000830837783 677064320 /nfs/dbraw/zinc/06/43/20/677064320.db2.gz XAZZDOKTNFLPIK-UHFFFAOYSA-N 1 2 356.861 2.159 20 30 FEEDLO N#Cc1cccn(C[N@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)c1=O ZINC000840164693 680803655 /nfs/dbraw/zinc/80/36/55/680803655.db2.gz SZAXFGKHDALHKH-CQSZACIVSA-N 1 2 355.360 2.358 20 30 FEEDLO N#Cc1cccn(C[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)c1=O ZINC000840164693 680803657 /nfs/dbraw/zinc/80/36/57/680803657.db2.gz SZAXFGKHDALHKH-CQSZACIVSA-N 1 2 355.360 2.358 20 30 FEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](Cc2snnc2C)C1 ZINC001008807385 679961320 /nfs/dbraw/zinc/96/13/20/679961320.db2.gz CAUPZMGYIHNIAV-ZOBUZTSGSA-N 1 2 364.515 2.298 20 30 FEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2snnc2C)C1 ZINC001008807385 679961322 /nfs/dbraw/zinc/96/13/22/679961322.db2.gz CAUPZMGYIHNIAV-ZOBUZTSGSA-N 1 2 364.515 2.298 20 30 FEEDLO Nc1ccc2c(c1)CCC2=[NH+]Nc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000834952453 680284694 /nfs/dbraw/zinc/28/46/94/680284694.db2.gz SCVLLGHVGHGLIR-UHFFFAOYSA-N 1 2 356.451 2.472 20 30 FEEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001027586894 680360810 /nfs/dbraw/zinc/36/08/10/680360810.db2.gz RJOBYHVRFYBYNO-TUVASFSCSA-N 1 2 357.292 2.385 20 30 FEEDLO C=C(Br)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001027586894 680360811 /nfs/dbraw/zinc/36/08/11/680360811.db2.gz RJOBYHVRFYBYNO-TUVASFSCSA-N 1 2 357.292 2.385 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CC(=C)Br ZINC001027889677 680362224 /nfs/dbraw/zinc/36/22/24/680362224.db2.gz DKELHGIGMGAICZ-KFWWJZLASA-N 1 2 357.292 2.457 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC(=C)Br ZINC001027889677 680362225 /nfs/dbraw/zinc/36/22/25/680362225.db2.gz DKELHGIGMGAICZ-KFWWJZLASA-N 1 2 357.292 2.457 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2nnc(CC)s2)C1 ZINC001028549440 680373929 /nfs/dbraw/zinc/37/39/29/680373929.db2.gz QFPNPDHEWOXRLZ-KFWWJZLASA-N 1 2 364.515 2.020 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CC[N@H+](Cc2nnc(CC)s2)C1 ZINC001028549440 680373936 /nfs/dbraw/zinc/37/39/36/680373936.db2.gz QFPNPDHEWOXRLZ-KFWWJZLASA-N 1 2 364.515 2.020 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@@H]1CCC[N@H+](Cc2nncs2)CC1 ZINC000998130874 680376741 /nfs/dbraw/zinc/37/67/41/680376741.db2.gz PPPWLBYAXITNTJ-OAGGEKHMSA-N 1 2 364.515 2.332 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@@H]1CCC[N@@H+](Cc2nncs2)CC1 ZINC000998130874 680376745 /nfs/dbraw/zinc/37/67/45/680376745.db2.gz PPPWLBYAXITNTJ-OAGGEKHMSA-N 1 2 364.515 2.332 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2nnsc2Cl)C1 ZINC000998789436 680389495 /nfs/dbraw/zinc/38/94/95/680389495.db2.gz ZSICFQIVTQHTPS-YZVRNYIASA-N 1 2 370.906 2.252 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2nnsc2Cl)C1 ZINC000984922670 680397117 /nfs/dbraw/zinc/39/71/17/680397117.db2.gz YLTFECFNNNNRKU-MNXVOIDGSA-N 1 2 370.906 2.157 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1C[NH+](Cc2ccc(Cl)cc2OC)C1 ZINC001031987969 680410546 /nfs/dbraw/zinc/41/05/46/680410546.db2.gz FNHDOBDGGMTKJY-SJORKVTESA-N 1 2 364.873 2.488 20 30 FEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCO[C@H]2c2cnn(C)c2)C1 ZINC001033164481 680419649 /nfs/dbraw/zinc/41/96/49/680419649.db2.gz FVEAVDLIRRWJNP-BBWFWOEESA-N 1 2 366.893 2.173 20 30 FEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCO[C@H]2c2cnn(C)c2)C1 ZINC001033164481 680419650 /nfs/dbraw/zinc/41/96/50/680419650.db2.gz FVEAVDLIRRWJNP-BBWFWOEESA-N 1 2 366.893 2.173 20 30 FEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2snnc2C)C1 ZINC001033497434 680424592 /nfs/dbraw/zinc/42/45/92/680424592.db2.gz WKYVGVYROVKNFQ-ZOBUZTSGSA-N 1 2 364.515 2.251 20 30 FEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2snnc2C)C1 ZINC001033497434 680424593 /nfs/dbraw/zinc/42/45/93/680424593.db2.gz WKYVGVYROVKNFQ-ZOBUZTSGSA-N 1 2 364.515 2.251 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](Cc2csnc2OC)C1 ZINC001034409464 680435783 /nfs/dbraw/zinc/43/57/83/680435783.db2.gz UKLANEXZIBHPBH-OAGGEKHMSA-N 1 2 365.499 2.214 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](Cc2csnc2OC)C1 ZINC001034409464 680435784 /nfs/dbraw/zinc/43/57/84/680435784.db2.gz UKLANEXZIBHPBH-OAGGEKHMSA-N 1 2 365.499 2.214 20 30 FEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CCCC[N@H+](Cc2cnns2)C1 ZINC001034434962 680436114 /nfs/dbraw/zinc/43/61/14/680436114.db2.gz CQOPILSVPCGHOC-PVAVHDDUSA-N 1 2 364.515 2.380 20 30 FEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CCCC[N@@H+](Cc2cnns2)C1 ZINC001034434962 680436116 /nfs/dbraw/zinc/43/61/16/680436116.db2.gz CQOPILSVPCGHOC-PVAVHDDUSA-N 1 2 364.515 2.380 20 30 FEEDLO C[C@@H]1C[N@@H+](C2CC2)CC1=NNS(=O)(=O)c1ccc(Br)cc1 ZINC000755871771 680441621 /nfs/dbraw/zinc/44/16/21/680441621.db2.gz KITIEQINDGAZBL-SNVBAGLBSA-N 1 2 372.288 2.198 20 30 FEEDLO C[C@@H]1C[N@H+](C2CC2)CC1=NNS(=O)(=O)c1ccc(Br)cc1 ZINC000755871771 680441623 /nfs/dbraw/zinc/44/16/23/680441623.db2.gz KITIEQINDGAZBL-SNVBAGLBSA-N 1 2 372.288 2.198 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](Cc2csc(C)c2)CCO1 ZINC001035540824 680450170 /nfs/dbraw/zinc/45/01/70/680450170.db2.gz DECWNKWQQDLAGB-SQNIBIBYSA-N 1 2 364.511 2.355 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2csc(C)c2)CCO1 ZINC001035540824 680450174 /nfs/dbraw/zinc/45/01/74/680450174.db2.gz DECWNKWQQDLAGB-SQNIBIBYSA-N 1 2 364.511 2.355 20 30 FEEDLO Cc1nsc(N[C@@H]2CCCC[C@H]2NC(=O)Cc2c[nH+]cn2C)c1C#N ZINC001045534244 680633459 /nfs/dbraw/zinc/63/34/59/680633459.db2.gz KACUTWDPEIYYCY-HUUCEWRRSA-N 1 2 358.471 2.139 20 30 FEEDLO C=C(Br)CN1CC[C@@](C)(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001046634002 680652218 /nfs/dbraw/zinc/65/22/18/680652218.db2.gz BSBFGMKDCGNSSF-XJKCOSOUSA-N 1 2 367.291 2.013 20 30 FEEDLO C=C(Cl)CN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3ccco3)C2)CC1 ZINC001052091687 681071227 /nfs/dbraw/zinc/07/12/27/681071227.db2.gz JXHQQRPOCSLXHD-BRWVUGGUSA-N 1 2 363.889 2.354 20 30 FEEDLO CCN1C[C@@H](C[NH+]2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)OC1=O ZINC000846885278 681303155 /nfs/dbraw/zinc/30/31/55/681303155.db2.gz OKPMPUSDGOLZBM-IAGOWNOFSA-N 1 2 362.861 2.363 20 30 FEEDLO C[N@@H+](CC(=O)Nc1sccc1C#N)C[C@H]1CCN1C(=O)OC(C)(C)C ZINC000933467162 681417560 /nfs/dbraw/zinc/41/75/60/681417560.db2.gz LQCODNSKPSNQGP-CYBMUJFWSA-N 1 2 364.471 2.499 20 30 FEEDLO C[N@H+](CC(=O)Nc1sccc1C#N)C[C@H]1CCN1C(=O)OC(C)(C)C ZINC000933467162 681417562 /nfs/dbraw/zinc/41/75/62/681417562.db2.gz LQCODNSKPSNQGP-CYBMUJFWSA-N 1 2 364.471 2.499 20 30 FEEDLO O=[N+]([O-])c1ccc(CS(=O)(=O)NN=C2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000848403992 681535610 /nfs/dbraw/zinc/53/56/10/681535610.db2.gz HJNDBTXEUIGFQW-MRXNPFEDSA-N 1 2 366.443 2.019 20 30 FEEDLO O=[N+]([O-])c1ccc(CS(=O)(=O)NN=C2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000848403992 681535618 /nfs/dbraw/zinc/53/56/18/681535618.db2.gz HJNDBTXEUIGFQW-MRXNPFEDSA-N 1 2 366.443 2.019 20 30 FEEDLO O=C1Nc2cc(OC(F)(F)F)ccc2C1=NNCCCn1cc[nH+]c1 ZINC000848418787 681537084 /nfs/dbraw/zinc/53/70/84/681537084.db2.gz NHPGBMCNTKCFNV-UHFFFAOYSA-N 1 2 353.304 2.118 20 30 FEEDLO Cc1[nH]c(CNc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)[nH+]c1C ZINC000850303769 681882518 /nfs/dbraw/zinc/88/25/18/681882518.db2.gz ZFRGUZLRAUGJIC-FXBPSFAMSA-N 1 2 361.471 2.451 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cnc(Cl)s3)C[C@H]21 ZINC000959942999 682012438 /nfs/dbraw/zinc/01/24/38/682012438.db2.gz AWQPILZCFGTMLG-MRLBHPIUSA-N 1 2 367.902 2.324 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cnc(Cl)s3)C[C@H]21 ZINC000959942999 682012446 /nfs/dbraw/zinc/01/24/46/682012446.db2.gz AWQPILZCFGTMLG-MRLBHPIUSA-N 1 2 367.902 2.324 20 30 FEEDLO CCN(CC)c1ncc(C=[NH+]Nc2ccc(S(N)(=O)=O)cc2)s1 ZINC000916240659 685522839 /nfs/dbraw/zinc/52/28/39/685522839.db2.gz SNTMIEITEIWSML-UHFFFAOYSA-N 1 2 353.473 2.083 20 30 FEEDLO C#CC[NH+]1CCC(C(=O)Nc2n[nH]c(-c3ccc(O)c(Cl)c3)n2)CC1 ZINC000788601832 682542317 /nfs/dbraw/zinc/54/23/17/682542317.db2.gz KOAOFKRXVCZTJT-UHFFFAOYSA-N 1 2 359.817 2.114 20 30 FEEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2cc(-n3ccnc3)cs2)n1 ZINC000789760949 682629448 /nfs/dbraw/zinc/62/94/48/682629448.db2.gz RDJBLAREIBOTRM-UHFFFAOYSA-N 1 2 355.467 2.412 20 30 FEEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2cc(-n3ccnc3)cs2)n1 ZINC000789760949 682629450 /nfs/dbraw/zinc/62/94/50/682629450.db2.gz RDJBLAREIBOTRM-UHFFFAOYSA-N 1 2 355.467 2.412 20 30 FEEDLO N#Cc1cc(CS(=O)(=O)N2CCC(Nc3cccc[nH+]3)CC2)cs1 ZINC000920616381 683355870 /nfs/dbraw/zinc/35/58/70/683355870.db2.gz RUULEXPRJVAJMT-UHFFFAOYSA-N 1 2 362.480 2.421 20 30 FEEDLO CN(C)c1ccc(C=NNCCC[NH+]2CCOCC2)c(C(F)(F)F)c1 ZINC000799488574 683460485 /nfs/dbraw/zinc/46/04/85/683460485.db2.gz IXFFHOBDHNALCM-UHFFFAOYSA-N 1 2 358.408 2.417 20 30 FEEDLO CCCN(CC(F)(F)F)C(=O)CO[NH+]=C(N)c1ccc2c(c1)CCO2 ZINC000863464656 683730880 /nfs/dbraw/zinc/73/08/80/683730880.db2.gz RVKIWFZQMXCZOF-UHFFFAOYSA-N 1 2 359.348 2.059 20 30 FEEDLO CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H]([NH2+]C[C@@H](O)CC2(C#N)CC2)C1 ZINC000863556901 683742320 /nfs/dbraw/zinc/74/23/20/683742320.db2.gz JCNYFTLNDTVYDZ-STQMWFEESA-N 1 2 359.417 2.275 20 30 FEEDLO N#CC[C@@H](NCc1ccc(OCC[NH+]2CCOCC2)cc1)C(F)(F)F ZINC000922649323 683761485 /nfs/dbraw/zinc/76/14/85/683761485.db2.gz DZWXJHLDGQRSFD-MRXNPFEDSA-N 1 2 357.376 2.332 20 30 FEEDLO C#CC1(O)CC[NH+]([C@@H](C)C(=O)Nc2sc(C)cc2C(=O)OCC)CC1 ZINC000931143688 683841100 /nfs/dbraw/zinc/84/11/00/683841100.db2.gz KQQKVFBGYPAZNX-ZDUSSCGKSA-N 1 2 364.467 2.020 20 30 FEEDLO C#CC1(O)CC[NH+](Cc2csc(CC(=O)Nc3ccccc3)n2)CC1 ZINC000931148269 683841631 /nfs/dbraw/zinc/84/16/31/683841631.db2.gz UUAHVMNEMNAWBO-UHFFFAOYSA-N 1 2 355.463 2.284 20 30 FEEDLO C#Cc1cccc(NC(=S)N2CC[NH+](CCc3cnccn3)CC2)c1 ZINC000865259836 683958337 /nfs/dbraw/zinc/95/83/37/683958337.db2.gz OFIJAGARYSVCCN-UHFFFAOYSA-N 1 2 351.479 2.015 20 30 FEEDLO C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000867538260 684308677 /nfs/dbraw/zinc/30/86/77/684308677.db2.gz XAABOCIOGMGDBA-STQMWFEESA-N 1 2 368.865 2.350 20 30 FEEDLO O=C(OCC#Cc1ccccc1Cl)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000923772500 684348753 /nfs/dbraw/zinc/34/87/53/684348753.db2.gz UEDYJVUKCHCUJH-AEFFLSMTSA-N 1 2 363.841 2.115 20 30 FEEDLO COc1cc(Br)cc(C[NH+]2CCN(CCC#N)CC2)c1O ZINC000877747821 686449486 /nfs/dbraw/zinc/44/94/86/686449486.db2.gz DWQPUCVZDQFQGC-UHFFFAOYSA-N 1 2 354.248 2.195 20 30 FEEDLO CC#CC[NH2+]Cc1cn(CC(=O)Nc2ccccc2SC(F)F)nn1 ZINC000881069817 687109451 /nfs/dbraw/zinc/10/94/51/687109451.db2.gz YJQYGRRXGPBNFL-UHFFFAOYSA-N 1 2 365.409 2.344 20 30 FEEDLO C#CCCN(CC(F)(F)F)S(=O)(=O)c1cccc2c1CC[N@@H+](C)C2 ZINC000882075313 687299032 /nfs/dbraw/zinc/29/90/32/687299032.db2.gz ABGIOFVASUMZED-UHFFFAOYSA-N 1 2 360.401 2.251 20 30 FEEDLO C#CCCN(CC(F)(F)F)S(=O)(=O)c1cccc2c1CC[N@H+](C)C2 ZINC000882075313 687299035 /nfs/dbraw/zinc/29/90/35/687299035.db2.gz ABGIOFVASUMZED-UHFFFAOYSA-N 1 2 360.401 2.251 20 30 FEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H](c1c(F)cccc1F)C(F)(F)F ZINC000884332369 687850492 /nfs/dbraw/zinc/85/04/92/687850492.db2.gz KYLXCZOKYYEQOK-GXFFZTMASA-N 1 2 366.286 2.131 20 30 FEEDLO N#Cc1ccc(NC(=O)NCc2cc[nH+]c(N3CCSCC3)c2)nc1 ZINC000889242532 688751912 /nfs/dbraw/zinc/75/19/12/688751912.db2.gz VKYOPERWIADCPX-UHFFFAOYSA-N 1 2 354.439 2.223 20 30 FEEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000891605280 689082722 /nfs/dbraw/zinc/08/27/22/689082722.db2.gz BCZYJBMTGVRAAG-GFCCVEGCSA-N 1 2 354.237 2.146 20 30 FEEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000891605280 689082725 /nfs/dbraw/zinc/08/27/25/689082725.db2.gz BCZYJBMTGVRAAG-GFCCVEGCSA-N 1 2 354.237 2.146 20 30 FEEDLO CO[C@H](C)c1noc(CN2CCC[N@H+](Cc3csc(C#N)c3)CC2)n1 ZINC000892213073 689165962 /nfs/dbraw/zinc/16/59/62/689165962.db2.gz VVQKFCYXWLIKAS-CYBMUJFWSA-N 1 2 361.471 2.418 20 30 FEEDLO CO[C@H](C)c1noc(CN2CCC[N@@H+](Cc3csc(C#N)c3)CC2)n1 ZINC000892213073 689165965 /nfs/dbraw/zinc/16/59/65/689165965.db2.gz VVQKFCYXWLIKAS-CYBMUJFWSA-N 1 2 361.471 2.418 20 30 FEEDLO C#CC[C@@H](CO)[NH2+]Cc1csc(N(C(C)=O)c2ccc(OC)cc2)n1 ZINC000895490466 689725963 /nfs/dbraw/zinc/72/59/63/689725963.db2.gz PVWSXFFUHNJCCI-AWEZNQCLSA-N 1 2 359.451 2.310 20 30 FEEDLO N#Cc1sc2ccccc2c1S(=O)(=O)N1CC[NH2+]C[C@H]1C(F)F ZINC000903500791 690902181 /nfs/dbraw/zinc/90/21/81/690902181.db2.gz YJEYWNSIVZDSNL-JTQLQIEISA-N 1 2 357.407 2.001 20 30 FEEDLO C=CCOC(=O)[C@@H]([NH3+])Cc1nc(-c2cc(Br)cs2)no1 ZINC000904109685 691004203 /nfs/dbraw/zinc/00/42/03/691004203.db2.gz FFPUKDAIJHSZAK-QMMMGPOBSA-N 1 2 358.217 2.160 20 30 FEEDLO Cc1cc(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)cc(C)c1C#N ZINC000906380930 691260800 /nfs/dbraw/zinc/26/08/00/691260800.db2.gz FAQQCRMDZXMXIY-IBGZPJMESA-N 1 2 359.495 2.113 20 30 FEEDLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1ccc3c(C#N)c[nH]c3n1)C2 ZINC001165009803 721706440 /nfs/dbraw/zinc/70/64/40/721706440.db2.gz DTDRZLCVTXISLY-UHFFFAOYSA-N 1 2 364.457 2.277 20 30 FEEDLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1ccc3c(C#N)c[nH]c3n1)C2 ZINC001165009803 721706445 /nfs/dbraw/zinc/70/64/45/721706445.db2.gz DTDRZLCVTXISLY-UHFFFAOYSA-N 1 2 364.457 2.277 20 30 FEEDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)CNc1ccc(C#N)cn1 ZINC000497741564 888768566 /nfs/dbraw/zinc/76/85/66/888768566.db2.gz HIIPFTIQPZUFNJ-UHFFFAOYSA-N 1 2 365.437 2.145 20 30 FEEDLO Cc1cccc(OC[C@H](O)CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000025226496 539751816 /nfs/dbraw/zinc/75/18/16/539751816.db2.gz BNTKWMLRFVLJDG-OAQYLSRUSA-N 1 2 365.477 2.424 20 30 FEEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(Br)s3)n2C)CC1 ZINC000800743017 674074221 /nfs/dbraw/zinc/07/42/21/674074221.db2.gz BBIDYBOJIUNJOE-UHFFFAOYSA-N 1 2 366.288 2.061 20 30 FEEDLO Cc1cc(C[NH+]2CCN(CC(=O)N(CCC#N)c3ccccc3)CC2)on1 ZINC000032491010 539942077 /nfs/dbraw/zinc/94/20/77/539942077.db2.gz BCAACKLMJIKTCI-UHFFFAOYSA-N 1 2 367.453 2.048 20 30 FEEDLO N#Cc1ccc(NC(=O)C(=O)NCCc2cn3ccccc3[nH+]2)cc1Cl ZINC000041245445 540015279 /nfs/dbraw/zinc/01/52/79/540015279.db2.gz BVHPVAZHASZBQP-UHFFFAOYSA-N 1 2 367.796 2.157 20 30 FEEDLO CC[C@H]1C[N@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CCO1 ZINC000045753319 540225794 /nfs/dbraw/zinc/22/57/94/540225794.db2.gz GYWNSBOEOYCHJQ-INIZCTEOSA-N 1 2 354.372 2.284 20 30 FEEDLO CC[C@H]1C[N@@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CCO1 ZINC000045753319 540225796 /nfs/dbraw/zinc/22/57/96/540225796.db2.gz GYWNSBOEOYCHJQ-INIZCTEOSA-N 1 2 354.372 2.284 20 30 FEEDLO Cc1oc(NC(=O)C[NH+]2CCC(c3nnc4n3CCC4)CC2)c(C#N)c1C ZINC000047258296 540299123 /nfs/dbraw/zinc/29/91/23/540299123.db2.gz CTWSTKIBFMSQGY-UHFFFAOYSA-N 1 2 368.441 2.124 20 30 FEEDLO C=C(C)CN(CC)C(=O)C[NH+]1CCN(Cc2ccc(OC)c(F)c2)CC1 ZINC000050273982 540403681 /nfs/dbraw/zinc/40/36/81/540403681.db2.gz BWQOUXGEBLPCDI-UHFFFAOYSA-N 1 2 363.477 2.377 20 30 FEEDLO CCO[C@H](C)c1ncc(C(=O)N=c2[nH][nH]c(CCC[NH2+]C)c2C#N)s1 ZINC000534791955 540413338 /nfs/dbraw/zinc/41/33/38/540413338.db2.gz MZUBWQRJOHWYDU-SNVBAGLBSA-N 1 2 362.459 2.240 20 30 FEEDLO CC(=O)NC1CC[NH+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000050990985 540418212 /nfs/dbraw/zinc/41/82/12/540418212.db2.gz BZQLGMCJWDRKCQ-NSHDSACASA-N 1 2 360.483 2.036 20 30 FEEDLO C[C@H](C(=O)Nc1cccc(F)c1)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000052355350 540463670 /nfs/dbraw/zinc/46/36/70/540463670.db2.gz LMJOTJNKFZRMRR-CQSZACIVSA-N 1 2 353.401 2.242 20 30 FEEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+]2CCC[C@@H](O)C2)c1C#N ZINC000054582813 540596648 /nfs/dbraw/zinc/59/66/48/540596648.db2.gz ZJDDBNYKAMXAQP-QGZVFWFLSA-N 1 2 352.438 2.361 20 30 FEEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+]2CCC[C@@H](O)C2)c1C#N ZINC000054582813 540596653 /nfs/dbraw/zinc/59/66/53/540596653.db2.gz ZJDDBNYKAMXAQP-QGZVFWFLSA-N 1 2 352.438 2.361 20 30 FEEDLO Cc1nc(CC(N)=[NH+]OCc2cc([N+](=O)[O-])cc3c2OCOC3)cs1 ZINC000054391039 540587549 /nfs/dbraw/zinc/58/75/49/540587549.db2.gz NGGGZHSJZHEIPT-UHFFFAOYSA-N 1 2 364.383 2.258 20 30 FEEDLO C[C@@H]1CN(S(=O)(=O)c2ccccc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000062690679 541153114 /nfs/dbraw/zinc/15/31/14/541153114.db2.gz HRTCOGHPCWTOIU-MRXNPFEDSA-N 1 2 355.463 2.453 20 30 FEEDLO C[C@@H]1CN(S(=O)(=O)c2ccccc2C#N)CC[N@H+]1Cc1ccccc1 ZINC000062690679 541153119 /nfs/dbraw/zinc/15/31/19/541153119.db2.gz HRTCOGHPCWTOIU-MRXNPFEDSA-N 1 2 355.463 2.453 20 30 FEEDLO N#Cc1cccnc1N1CCC[N@@H+](CC(=O)Nc2cc(F)ccc2F)CC1 ZINC000064634385 541213939 /nfs/dbraw/zinc/21/39/39/541213939.db2.gz UVDBUPUROFSSIW-UHFFFAOYSA-N 1 2 371.391 2.382 20 30 FEEDLO N#Cc1cccnc1N1CCC[N@H+](CC(=O)Nc2cc(F)ccc2F)CC1 ZINC000064634385 541213942 /nfs/dbraw/zinc/21/39/42/541213942.db2.gz UVDBUPUROFSSIW-UHFFFAOYSA-N 1 2 371.391 2.382 20 30 FEEDLO C[C@H]1CCC[C@@H](NC(=O)CN2CC[NH+](Cc3cccc(C#N)c3)CC2)C1 ZINC000066566742 541338289 /nfs/dbraw/zinc/33/82/89/541338289.db2.gz ZGMVHLSQHDJVEH-FXAWDEMLSA-N 1 2 354.498 2.371 20 30 FEEDLO C=CCOc1cccc(NC(=O)C(=O)NCc2cn3ccc(C)cc3[nH+]2)c1 ZINC000067377049 541451890 /nfs/dbraw/zinc/45/18/90/541451890.db2.gz LMYPTSXZLCKCON-UHFFFAOYSA-N 1 2 364.405 2.462 20 30 FEEDLO C#CCC[NH+]1CCN(C(=O)CSc2ccc(C(F)(F)F)cn2)CC1 ZINC000068468327 541596054 /nfs/dbraw/zinc/59/60/54/541596054.db2.gz PELWFCKRNYVPKE-UHFFFAOYSA-N 1 2 357.401 2.360 20 30 FEEDLO C#CCC[NH+]1CCN(C(=O)[C@@H](C)SCC(=O)Nc2ccc(C)cc2)CC1 ZINC000068445502 541593259 /nfs/dbraw/zinc/59/32/59/541593259.db2.gz BNEUMXNETQDJHH-QGZVFWFLSA-N 1 2 373.522 2.223 20 30 FEEDLO Cc1[nH+]c2ccccn2c1[C@H]1C(=O)NCCN1C(=O)Nc1ccc(C#N)cc1 ZINC000071889345 541774915 /nfs/dbraw/zinc/77/49/15/541774915.db2.gz BXRQZEFYRZSSNJ-SFHVURJKSA-N 1 2 374.404 2.219 20 30 FEEDLO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCNC(=O)[C@H]1c1cccs1 ZINC000072799216 541867357 /nfs/dbraw/zinc/86/73/57/541867357.db2.gz USHAKFBGINKTSN-QGZVFWFLSA-N 1 2 354.435 2.121 20 30 FEEDLO N#Cc1ccccc1NC(=O)CC[N@H+]1CCNC(=O)[C@H]1c1cccs1 ZINC000072799216 541867361 /nfs/dbraw/zinc/86/73/61/541867361.db2.gz USHAKFBGINKTSN-QGZVFWFLSA-N 1 2 354.435 2.121 20 30 FEEDLO C=CCNC(=O)CN1CC[NH+](Cc2ccccc2OCC(F)(F)F)CC1 ZINC000075586928 542190916 /nfs/dbraw/zinc/19/09/16/542190916.db2.gz YLNOOSQOZNVBQQ-UHFFFAOYSA-N 1 2 371.403 2.048 20 30 FEEDLO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000075673440 542196710 /nfs/dbraw/zinc/19/67/10/542196710.db2.gz SXVINERIAWGTHN-INIZCTEOSA-N 1 2 353.426 2.441 20 30 FEEDLO CCN(CC)C(=O)[C@@H]1CCC[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000075673440 542196713 /nfs/dbraw/zinc/19/67/13/542196713.db2.gz SXVINERIAWGTHN-INIZCTEOSA-N 1 2 353.426 2.441 20 30 FEEDLO Cc1nc(C(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)ccc1C#N ZINC000075893713 542214452 /nfs/dbraw/zinc/21/44/52/542214452.db2.gz MHDNPAUMXIRRBG-IBGZPJMESA-N 1 2 350.422 2.065 20 30 FEEDLO CCOC(=O)CCCNC(=O)C[N@@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000076152859 542237955 /nfs/dbraw/zinc/23/79/55/542237955.db2.gz FULNOVADDWWJMG-ZWKOTPCHSA-N 1 2 357.454 2.218 20 30 FEEDLO CCOC(=O)CCCNC(=O)C[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000076152859 542237960 /nfs/dbraw/zinc/23/79/60/542237960.db2.gz FULNOVADDWWJMG-ZWKOTPCHSA-N 1 2 357.454 2.218 20 30 FEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCCN(C(=O)c2cccc(C)c2)CC1 ZINC000076902638 542328986 /nfs/dbraw/zinc/32/89/86/542328986.db2.gz MHFAZISTDQCNFE-SFHVURJKSA-N 1 2 370.497 2.151 20 30 FEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCCN(C(=O)c2cccc(C)c2)CC1 ZINC000076902638 542328990 /nfs/dbraw/zinc/32/89/90/542328990.db2.gz MHFAZISTDQCNFE-SFHVURJKSA-N 1 2 370.497 2.151 20 30 FEEDLO N#Cc1ccc(NC(=O)C(=O)NCCNc2ccc3ccccc3[nH+]2)cc1 ZINC000077821337 542424434 /nfs/dbraw/zinc/42/44/34/542424434.db2.gz PIAQYQAGYUEBPT-UHFFFAOYSA-N 1 2 359.389 2.273 20 30 FEEDLO C[C@](O)(Cc1ccccc1)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000081230191 542639696 /nfs/dbraw/zinc/63/96/96/542639696.db2.gz FKKXMXXJHCQYAF-QFIPXVFZSA-N 1 2 363.461 2.196 20 30 FEEDLO COCC[N@H+](CC(=O)NCC(=O)c1ccccc1)Cc1ccc(C#N)cc1 ZINC000083169679 542692564 /nfs/dbraw/zinc/69/25/64/542692564.db2.gz FBFMCVIVPLCZNE-UHFFFAOYSA-N 1 2 365.433 2.006 20 30 FEEDLO COCC[N@@H+](CC(=O)NCC(=O)c1ccccc1)Cc1ccc(C#N)cc1 ZINC000083169679 542692568 /nfs/dbraw/zinc/69/25/68/542692568.db2.gz FBFMCVIVPLCZNE-UHFFFAOYSA-N 1 2 365.433 2.006 20 30 FEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](CNC(=O)C(C)C)C1 ZINC000083170223 542693138 /nfs/dbraw/zinc/69/31/38/542693138.db2.gz BLFAOBNSCUWGBF-AEFFLSMTSA-N 1 2 357.454 2.257 20 30 FEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](CNC(=O)C(C)C)C1 ZINC000083170223 542693139 /nfs/dbraw/zinc/69/31/39/542693139.db2.gz BLFAOBNSCUWGBF-AEFFLSMTSA-N 1 2 357.454 2.257 20 30 FEEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[NH+]1CCC(C(=O)N(C)C(C)C)CC1 ZINC000083168575 542693180 /nfs/dbraw/zinc/69/31/80/542693180.db2.gz ZIEXASYGYMSMDY-GOSISDBHSA-N 1 2 357.454 2.351 20 30 FEEDLO C=C(C)C[NH+]1CCC(NC(=O)C2=NN(c3ccc(F)cc3)CC2=O)CC1 ZINC000084389684 542713368 /nfs/dbraw/zinc/71/33/68/542713368.db2.gz QPBYJMSNUFNLQB-UHFFFAOYSA-N 1 2 358.417 2.487 20 30 FEEDLO COc1cccc([C@H](C)CC(=O)N(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000084590555 542717488 /nfs/dbraw/zinc/71/74/88/542717488.db2.gz SOEOGMLHPNYUQC-QGZVFWFLSA-N 1 2 359.470 2.263 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)cc1Cl ZINC000108426555 132377963 /nfs/dbraw/zinc/37/79/63/132377963.db2.gz HGEJWEJVKFZSHJ-UHFFFAOYSA-N 1 2 362.842 2.118 20 30 FEEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCCC2(C1)OCCO2 ZINC000090561726 542785933 /nfs/dbraw/zinc/78/59/33/542785933.db2.gz LHXWCSCUPOROLF-HNNXBMFYSA-N 1 2 350.484 2.490 20 30 FEEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCCC2(C1)OCCO2 ZINC000090561726 542785936 /nfs/dbraw/zinc/78/59/36/542785936.db2.gz LHXWCSCUPOROLF-HNNXBMFYSA-N 1 2 350.484 2.490 20 30 FEEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCC[C@H](N3CCNC3=O)C2)c1C#N ZINC000091069769 542792968 /nfs/dbraw/zinc/79/29/68/542792968.db2.gz WMHHACCEYSZTDJ-KRWDZBQOSA-N 1 2 364.453 2.042 20 30 FEEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CCC[C@H](N3CCNC3=O)C2)c1C#N ZINC000091069769 542792971 /nfs/dbraw/zinc/79/29/71/542792971.db2.gz WMHHACCEYSZTDJ-KRWDZBQOSA-N 1 2 364.453 2.042 20 30 FEEDLO C=CCc1cc(C[N@H+](CC=C)[C@H]2CCS(=O)(=O)C2)cc(OC)c1O ZINC000092361202 542859676 /nfs/dbraw/zinc/85/96/76/542859676.db2.gz VDMHZWCMWJYCBW-INIZCTEOSA-N 1 2 351.468 2.304 20 30 FEEDLO C=CCc1cc(C[N@@H+](CC=C)[C@H]2CCS(=O)(=O)C2)cc(OC)c1O ZINC000092361202 542859679 /nfs/dbraw/zinc/85/96/79/542859679.db2.gz VDMHZWCMWJYCBW-INIZCTEOSA-N 1 2 351.468 2.304 20 30 FEEDLO N#Cc1ccccc1N1CC[NH+](CC(=O)NC(=O)Nc2ccccc2)CC1 ZINC000101554718 543032240 /nfs/dbraw/zinc/03/22/40/543032240.db2.gz URDKBVAEZKNCOJ-UHFFFAOYSA-N 1 2 363.421 2.029 20 30 FEEDLO C=CCc1cc(C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)cc(OC)c1OC ZINC000104593898 543135642 /nfs/dbraw/zinc/13/56/42/543135642.db2.gz ITMAQFVAQRLFFZ-LSDHHAIUSA-N 1 2 362.470 2.271 20 30 FEEDLO N#CC1(C(=O)N[C@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)CCOCC1 ZINC000110981298 543377175 /nfs/dbraw/zinc/37/71/75/543377175.db2.gz WAKNEBOPDMSBTM-AWEZNQCLSA-N 1 2 363.408 2.366 20 30 FEEDLO N#CC1(C(=O)N[C@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)CCOCC1 ZINC000110981298 543377177 /nfs/dbraw/zinc/37/71/77/543377177.db2.gz WAKNEBOPDMSBTM-AWEZNQCLSA-N 1 2 363.408 2.366 20 30 FEEDLO C[C@@H](c1ccc(NS(=O)(=O)c2ccc(C#N)nc2)cc1)[NH+]1CCOCC1 ZINC000111994915 543426754 /nfs/dbraw/zinc/42/67/54/543426754.db2.gz UPGVCULAIYBUBM-AWEZNQCLSA-N 1 2 372.450 2.147 20 30 FEEDLO CCN(CC)C(=O)c1ccc(C[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)cc1 ZINC000115596821 543576587 /nfs/dbraw/zinc/57/65/87/543576587.db2.gz GLVJJGABVFMHDM-LJQANCHMSA-N 1 2 364.449 2.356 20 30 FEEDLO N#Cc1ccc([C@@H]([NH2+]CC(=O)Nc2cccc3ccccc32)C(N)=O)cc1 ZINC000115599035 543577608 /nfs/dbraw/zinc/57/76/08/543577608.db2.gz WPNJTIIGKNJBEQ-HXUWFJFHSA-N 1 2 358.401 2.466 20 30 FEEDLO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(C#N)c1)c1nnnn1-c1ccccc1 ZINC000115604954 543578615 /nfs/dbraw/zinc/57/86/15/543578615.db2.gz JOXJFPSBPAWPRH-KGLIPLIRSA-N 1 2 361.409 2.212 20 30 FEEDLO C=CC[N@@H+](CC(=O)Nc1cc(-n2cnnn2)ccc1F)Cc1ccccc1 ZINC000122567044 543710408 /nfs/dbraw/zinc/71/04/08/543710408.db2.gz OVZKEWDJCPEHRH-UHFFFAOYSA-N 1 2 366.400 2.428 20 30 FEEDLO C=CC[N@H+](CC(=O)Nc1cc(-n2cnnn2)ccc1F)Cc1ccccc1 ZINC000122567044 543710411 /nfs/dbraw/zinc/71/04/11/543710411.db2.gz OVZKEWDJCPEHRH-UHFFFAOYSA-N 1 2 366.400 2.428 20 30 FEEDLO C[NH+]1CCN(C(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CC1 ZINC000124354971 543816240 /nfs/dbraw/zinc/81/62/40/543816240.db2.gz LSVGFIZYNLNXSH-UHFFFAOYSA-N 1 2 364.405 2.063 20 30 FEEDLO C[N@@H+]1CCO[C@H]([C@H](NC(=O)CSCC#N)c2ccc(Cl)cc2)C1 ZINC000126701634 543951993 /nfs/dbraw/zinc/95/19/93/543951993.db2.gz XRICCCCEOKQTMV-GOEBONIOSA-N 1 2 353.875 2.085 20 30 FEEDLO C[N@H+]1CCO[C@H]([C@H](NC(=O)CSCC#N)c2ccc(Cl)cc2)C1 ZINC000126701634 543951995 /nfs/dbraw/zinc/95/19/95/543951995.db2.gz XRICCCCEOKQTMV-GOEBONIOSA-N 1 2 353.875 2.085 20 30 FEEDLO C=CCCS(=O)(=O)N[C@@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1 ZINC000129965389 544133944 /nfs/dbraw/zinc/13/39/44/544133944.db2.gz PLBWFDFLEGXAES-MRXNPFEDSA-N 1 2 365.455 2.022 20 30 FEEDLO N#Cc1ccc(NCC(=O)N2CC[NH+](Cc3cccc(O)c3)CC2)cc1 ZINC000130063567 544137666 /nfs/dbraw/zinc/13/76/66/544137666.db2.gz FVTDTNLNPVWVCS-UHFFFAOYSA-N 1 2 350.422 2.020 20 30 FEEDLO CC[N@H+](CC(=O)Nc1c(C)cccc1C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000130175856 544141099 /nfs/dbraw/zinc/14/10/99/544141099.db2.gz TUMULNKGDFCIGY-HXUWFJFHSA-N 1 2 356.470 2.372 20 30 FEEDLO CC[N@@H+](CC(=O)Nc1c(C)cccc1C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000130175856 544141100 /nfs/dbraw/zinc/14/11/00/544141100.db2.gz TUMULNKGDFCIGY-HXUWFJFHSA-N 1 2 356.470 2.372 20 30 FEEDLO N#CCOc1cccc(CC(=O)N[C@@H]2CCCN(c3cccc[nH+]3)C2)c1 ZINC000130266281 544144727 /nfs/dbraw/zinc/14/47/27/544144727.db2.gz SFTCIEDPBAKHDZ-QGZVFWFLSA-N 1 2 350.422 2.312 20 30 FEEDLO C=CCC[C@H]([NH2+]C1CCN(S(=O)(=O)NCC(F)(F)F)CC1)C1CC1 ZINC000130524892 544154459 /nfs/dbraw/zinc/15/44/59/544154459.db2.gz ABBWCIKIOFRPRT-AWEZNQCLSA-N 1 2 369.453 2.182 20 30 FEEDLO C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)Nc1ccc(C#N)cc1 ZINC000130628418 544158781 /nfs/dbraw/zinc/15/87/81/544158781.db2.gz ZYDSWGNZUAGUQC-INIZCTEOSA-N 1 2 362.433 2.230 20 30 FEEDLO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)Nc1ccc(C#N)cc1 ZINC000130628418 544158782 /nfs/dbraw/zinc/15/87/82/544158782.db2.gz ZYDSWGNZUAGUQC-INIZCTEOSA-N 1 2 362.433 2.230 20 30 FEEDLO COc1cc(C#N)ccc1OCC[N@H+](C)Cc1nc2ccsc2c(=O)[nH]1 ZINC000131580590 544196376 /nfs/dbraw/zinc/19/63/76/544196376.db2.gz OUBGODJAVBXTLL-UHFFFAOYSA-N 1 2 370.434 2.376 20 30 FEEDLO COc1cc(C#N)ccc1OCC[N@@H+](C)Cc1nc2ccsc2c(=O)[nH]1 ZINC000131580590 544196379 /nfs/dbraw/zinc/19/63/79/544196379.db2.gz OUBGODJAVBXTLL-UHFFFAOYSA-N 1 2 370.434 2.376 20 30 FEEDLO CC(C)(C)[N@H+](CC(N)=O)CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000134005412 544291218 /nfs/dbraw/zinc/29/12/18/544291218.db2.gz IJWILBBWMMWSIW-UHFFFAOYSA-N 1 2 362.499 2.413 20 30 FEEDLO CC(C)(C)[N@@H+](CC(N)=O)CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000134005412 544291220 /nfs/dbraw/zinc/29/12/20/544291220.db2.gz IJWILBBWMMWSIW-UHFFFAOYSA-N 1 2 362.499 2.413 20 30 FEEDLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(CC#Cc2ccccc2Cl)CC1 ZINC000135142171 544335571 /nfs/dbraw/zinc/33/55/71/544335571.db2.gz ASMKEHNEDPOBOL-KRWDZBQOSA-N 1 2 359.901 2.320 20 30 FEEDLO C=CCNc1ncc(C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)s1 ZINC000136311017 544371066 /nfs/dbraw/zinc/37/10/66/544371066.db2.gz KQJWENGGCYGYTN-AWEZNQCLSA-N 1 2 350.488 2.068 20 30 FEEDLO N#Cc1ccc(NCC(=O)NC[C@H](c2cccs2)[NH+]2CCOCC2)cc1 ZINC000138188732 544394841 /nfs/dbraw/zinc/39/48/41/544394841.db2.gz YJMBPGQVWGUPCF-QGZVFWFLSA-N 1 2 370.478 2.221 20 30 FEEDLO C=CCNC(=O)C[NH+]1CCN([C@H](C)c2ccccc2Br)CC1 ZINC000139660046 544404083 /nfs/dbraw/zinc/40/40/83/544404083.db2.gz BGFJSNBXTYZIGZ-CQSZACIVSA-N 1 2 366.303 2.430 20 30 FEEDLO C=CCNC(=O)CN1CC[NH+]([C@H](C)c2ccccc2Br)CC1 ZINC000139660046 544404085 /nfs/dbraw/zinc/40/40/85/544404085.db2.gz BGFJSNBXTYZIGZ-CQSZACIVSA-N 1 2 366.303 2.430 20 30 FEEDLO C[C@H](CNS(=O)(=O)c1ccc(C#N)cc1F)[N@@H+]1CCc2ccccc2C1 ZINC000151053901 544500597 /nfs/dbraw/zinc/50/05/97/544500597.db2.gz KNSSAHMZJDTZNH-CQSZACIVSA-N 1 2 373.453 2.422 20 30 FEEDLO C[C@H](CNS(=O)(=O)c1ccc(C#N)cc1F)[N@H+]1CCc2ccccc2C1 ZINC000151053901 544500598 /nfs/dbraw/zinc/50/05/98/544500598.db2.gz KNSSAHMZJDTZNH-CQSZACIVSA-N 1 2 373.453 2.422 20 30 FEEDLO CC[C@H]1C[N@H+](CC(=O)N(C)C2(C#N)CCCCC2)CCN1CC(F)F ZINC000153441045 544775726 /nfs/dbraw/zinc/77/57/26/544775726.db2.gz GXCVGKVSMRDHHK-HNNXBMFYSA-N 1 2 356.461 2.333 20 30 FEEDLO CC[C@H]1C[N@@H+](CC(=O)N(C)C2(C#N)CCCCC2)CCN1CC(F)F ZINC000153441045 544775728 /nfs/dbraw/zinc/77/57/28/544775728.db2.gz GXCVGKVSMRDHHK-HNNXBMFYSA-N 1 2 356.461 2.333 20 30 FEEDLO COc1cc(C#N)ccc1OCCCC(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000153688936 544808842 /nfs/dbraw/zinc/80/88/42/544808842.db2.gz MJXYPFSPZBAODM-HNNXBMFYSA-N 1 2 356.426 2.375 20 30 FEEDLO C[C@H]1CCN(C(=O)NCCOc2ccc(C#N)cc2)C[C@H]1n1cc[nH+]c1 ZINC000154007048 544851647 /nfs/dbraw/zinc/85/16/47/544851647.db2.gz ZJWCDVCGXHPZGH-MAUKXSAKSA-N 1 2 353.426 2.426 20 30 FEEDLO COc1ccc(C#N)cc1C[N@@H+](CC(=O)N1CCCC1)C[C@H]1CCCO1 ZINC000154145049 544869848 /nfs/dbraw/zinc/86/98/48/544869848.db2.gz ZBPZJQVFQAFMRN-GOSISDBHSA-N 1 2 357.454 2.170 20 30 FEEDLO COc1ccc(C#N)cc1C[N@H+](CC(=O)N1CCCC1)C[C@H]1CCCO1 ZINC000154145049 544869850 /nfs/dbraw/zinc/86/98/50/544869850.db2.gz ZBPZJQVFQAFMRN-GOSISDBHSA-N 1 2 357.454 2.170 20 30 FEEDLO C[N@H+](CCOCc1ccccc1)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000154582958 544924510 /nfs/dbraw/zinc/92/45/10/544924510.db2.gz SIIRXGIGVAEGLK-UHFFFAOYSA-N 1 2 358.463 2.481 20 30 FEEDLO C[N@@H+](CCOCc1ccccc1)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000154582958 544924514 /nfs/dbraw/zinc/92/45/14/544924514.db2.gz SIIRXGIGVAEGLK-UHFFFAOYSA-N 1 2 358.463 2.481 20 30 FEEDLO Cc1cc(C#N)ccc1S(=O)(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000187115275 328002916 /nfs/dbraw/zinc/00/29/16/328002916.db2.gz BFCQBNSBRKGAOT-UHFFFAOYSA-N 1 2 371.462 2.500 20 30 FEEDLO Cc1cccc2[nH+]c(CN3C(=O)N[C@](C)(c4ccc(C#N)cc4)C3=O)cn21 ZINC000076422194 324943156 /nfs/dbraw/zinc/94/31/56/324943156.db2.gz TWWDDGPDUGIOIS-HXUWFJFHSA-N 1 2 359.389 2.482 20 30 FEEDLO N#Cc1cc(NC(=O)C(=O)NCCCCNc2cccc[nH+]2)ccc1F ZINC000077836505 325020788 /nfs/dbraw/zinc/02/07/88/325020788.db2.gz KIBYIYWQSMRPBW-UHFFFAOYSA-N 1 2 355.373 2.039 20 30 FEEDLO COc1cc(C#N)ccc1OCC[NH+]1CCN(Cc2cccc(O)c2)CC1 ZINC000081019074 325154399 /nfs/dbraw/zinc/15/43/99/325154399.db2.gz HAYALSOJCRSMNQ-UHFFFAOYSA-N 1 2 367.449 2.469 20 30 FEEDLO COc1cc(C#N)ccc1OCCN1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000081019074 325154403 /nfs/dbraw/zinc/15/44/03/325154403.db2.gz HAYALSOJCRSMNQ-UHFFFAOYSA-N 1 2 367.449 2.469 20 30 FEEDLO N#Cc1csc(C(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)c1 ZINC000084188828 325228600 /nfs/dbraw/zinc/22/86/00/325228600.db2.gz BORRURAZKZPIEN-KRWDZBQOSA-N 1 2 355.463 2.293 20 30 FEEDLO N#Cc1cnn(C(=O)C2CCN(c3ccc4cccc(O)c4[nH+]3)CC2)c1N ZINC000102896272 325500422 /nfs/dbraw/zinc/50/04/22/325500422.db2.gz VPZJSBSHXCQFDI-UHFFFAOYSA-N 1 2 362.393 2.148 20 30 FEEDLO Cc1cccc(N2CC[NH+]([C@@H]3CC(=O)N(c4ccc(C#N)cc4)C3=O)CC2)c1 ZINC000102936513 325502088 /nfs/dbraw/zinc/50/20/88/325502088.db2.gz BXUDWIXITDIDPC-HXUWFJFHSA-N 1 2 374.444 2.321 20 30 FEEDLO CC(C)c1[nH+]c2c(n1C)CCN(S(=O)(=O)c1ccc(F)c(C#N)c1)C2 ZINC000113299258 325839491 /nfs/dbraw/zinc/83/94/91/325839491.db2.gz SDRIYXMUSPLSOR-UHFFFAOYSA-N 1 2 362.430 2.301 20 30 FEEDLO Cn1cc[nH+]c1CN1CCN(c2nc(C(F)(F)F)ccc2C#N)CC1 ZINC000115517936 325963456 /nfs/dbraw/zinc/96/34/56/325963456.db2.gz VADNRSXJQDXGPU-UHFFFAOYSA-N 1 2 350.348 2.028 20 30 FEEDLO COc1cc(C#N)ccc1OCC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000119158646 326132778 /nfs/dbraw/zinc/13/27/78/326132778.db2.gz XQVDUQURKXTRNU-INIZCTEOSA-N 1 2 368.437 2.160 20 30 FEEDLO COc1ccc(C[NH+]2CCN(C(=O)c3ccccc3O)CC2)cc1C#N ZINC000135196199 326637753 /nfs/dbraw/zinc/63/77/53/326637753.db2.gz XIFBIHAKWLGILR-UHFFFAOYSA-N 1 2 351.406 2.230 20 30 FEEDLO Cc1cccc(NC(=O)C(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)c1C#N ZINC000168500319 327086698 /nfs/dbraw/zinc/08/66/98/327086698.db2.gz IOGYSCBYLIWTEY-OAHLLOKOSA-N 1 2 365.437 2.020 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)N2C[C@H](n3cc[nH+]c3)Cc3ccccc32)cn1 ZINC000173690432 327277264 /nfs/dbraw/zinc/27/72/64/327277264.db2.gz FLKXZOZVUMOYGN-MRXNPFEDSA-N 1 2 365.418 2.142 20 30 FEEDLO Cc1cnc(N2CC[NH+]([C@H]3CCN(c4ccc(C#N)cc4)C3=O)CC2)s1 ZINC000265464684 329129775 /nfs/dbraw/zinc/12/97/75/329129775.db2.gz YKDYXQBGFKXDKH-KRWDZBQOSA-N 1 2 367.478 2.251 20 30 FEEDLO CCc1nnc(NCc2cc[nH+]c(N3CCOCC3)c2)c(C#N)c1CC ZINC000268119048 329386968 /nfs/dbraw/zinc/38/69/68/329386968.db2.gz BAECGEJWTTVOHA-UHFFFAOYSA-N 1 2 352.442 2.317 20 30 FEEDLO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(Cc2cccc(C#N)c2F)CC1 ZINC000331783098 330200702 /nfs/dbraw/zinc/20/07/02/330200702.db2.gz DTDJJAHNZASFPN-OAHLLOKOSA-N 1 2 358.461 2.262 20 30 FEEDLO N#Cc1cccc([C@@H]2CN(C(=O)NCc3ccn4cc[nH+]c4c3)CCO2)c1 ZINC000367123183 330219570 /nfs/dbraw/zinc/21/95/70/330219570.db2.gz NNPPLWZNYKKJFC-SFHVURJKSA-N 1 2 361.405 2.489 20 30 FEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H]1C[C@@H](O)c1cnn(C)c1 ZINC000371460096 330244668 /nfs/dbraw/zinc/24/46/68/330244668.db2.gz QMTRNLBCPGELTD-OTWHNJEPSA-N 1 2 368.437 2.094 20 30 FEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H]1C[C@@H](O)c1cnn(C)c1 ZINC000371460096 330244670 /nfs/dbraw/zinc/24/46/70/330244670.db2.gz QMTRNLBCPGELTD-OTWHNJEPSA-N 1 2 368.437 2.094 20 30 FEEDLO CCOc1ccc(C[NH+]2CCN(C(=O)c3ccc(C#N)n3C)CC2)cc1 ZINC000448621248 330279050 /nfs/dbraw/zinc/27/90/50/330279050.db2.gz IBRJYKHLVJHYCO-UHFFFAOYSA-N 1 2 352.438 2.253 20 30 FEEDLO C=CCN(CC=C)C(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000554684143 674330073 /nfs/dbraw/zinc/33/00/73/674330073.db2.gz VBLVDENJXWWKBF-IRXDYDNUSA-N 1 2 361.873 2.402 20 30 FEEDLO C=CCN(CC=C)C(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000554684143 674330074 /nfs/dbraw/zinc/33/00/74/674330074.db2.gz VBLVDENJXWWKBF-IRXDYDNUSA-N 1 2 361.873 2.402 20 30 FEEDLO COCOc1ccc(OC)cc1C[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000271028092 518076876 /nfs/dbraw/zinc/07/68/76/518076876.db2.gz FJGUMEKMOWJOGA-UHFFFAOYSA-N 1 2 368.437 2.267 20 30 FEEDLO COc1cc2c(cc1OC)C[N@H+](CC(=O)N(CCC#N)CC1CC1)CC2 ZINC000155743009 545564014 /nfs/dbraw/zinc/56/40/14/545564014.db2.gz OXLATPWWVHTSSQ-UHFFFAOYSA-N 1 2 357.454 2.214 20 30 FEEDLO COc1cc2c(cc1OC)C[N@@H+](CC(=O)N(CCC#N)CC1CC1)CC2 ZINC000155743009 545564017 /nfs/dbraw/zinc/56/40/17/545564017.db2.gz OXLATPWWVHTSSQ-UHFFFAOYSA-N 1 2 357.454 2.214 20 30 FEEDLO CN(CC[N@H+](C)CCS(=O)(=O)c1cccc(C#N)c1)c1ccccc1 ZINC000156733413 545654379 /nfs/dbraw/zinc/65/43/79/545654379.db2.gz OEYKGENFVGBNAJ-UHFFFAOYSA-N 1 2 357.479 2.400 20 30 FEEDLO CN(CC[N@@H+](C)CCS(=O)(=O)c1cccc(C#N)c1)c1ccccc1 ZINC000156733413 545654383 /nfs/dbraw/zinc/65/43/83/545654383.db2.gz OEYKGENFVGBNAJ-UHFFFAOYSA-N 1 2 357.479 2.400 20 30 FEEDLO N#Cc1ccc(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)cc1Cl ZINC000160255948 546023054 /nfs/dbraw/zinc/02/30/54/546023054.db2.gz JLWNTPXHSKPELF-KRWDZBQOSA-N 1 2 365.886 2.149 20 30 FEEDLO CCN1CC[NH+]([C@@H]2CCN(C(=O)N[C@@H](CCC#N)c3ccccc3)C2)CC1 ZINC000160665227 546061703 /nfs/dbraw/zinc/06/17/03/546061703.db2.gz PNUXIKAWOSIEOR-UXHICEINSA-N 1 2 369.513 2.453 20 30 FEEDLO CO[C@@H](C)c1noc(CN2CCC[N@H+](Cc3cc(F)ccc3C#N)CC2)n1 ZINC000160980756 546090615 /nfs/dbraw/zinc/09/06/15/546090615.db2.gz JDPRMCXXTGFCJU-AWEZNQCLSA-N 1 2 373.432 2.496 20 30 FEEDLO CO[C@@H](C)c1noc(CN2CCC[N@@H+](Cc3cc(F)ccc3C#N)CC2)n1 ZINC000160980756 546090621 /nfs/dbraw/zinc/09/06/21/546090621.db2.gz JDPRMCXXTGFCJU-AWEZNQCLSA-N 1 2 373.432 2.496 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000162595769 546140022 /nfs/dbraw/zinc/14/00/22/546140022.db2.gz AFPSTMFUASUFBE-HZPDHXFCSA-N 1 2 363.408 2.143 20 30 FEEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000171231131 546199200 /nfs/dbraw/zinc/19/92/00/546199200.db2.gz MSZSXZVMYGDEMO-NSHDSACASA-N 1 2 354.357 2.002 20 30 FEEDLO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H]2C(=O)NC2CC2)cc1C ZINC000175229982 546307609 /nfs/dbraw/zinc/30/76/09/546307609.db2.gz OADHLUDXDQLYSJ-LJQANCHMSA-N 1 2 368.481 2.293 20 30 FEEDLO Cc1ccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H]2C(=O)NC2CC2)cc1C ZINC000175229982 546307614 /nfs/dbraw/zinc/30/76/14/546307614.db2.gz OADHLUDXDQLYSJ-LJQANCHMSA-N 1 2 368.481 2.293 20 30 FEEDLO CCO[C@H]1C[C@H]([N@H+](C)CCS(=O)(=O)c2ccc(C#N)cc2)C1(C)C ZINC000176260443 546424973 /nfs/dbraw/zinc/42/49/73/546424973.db2.gz RDGKUCJNEODQQN-IRXDYDNUSA-N 1 2 350.484 2.467 20 30 FEEDLO CCO[C@H]1C[C@H]([N@@H+](C)CCS(=O)(=O)c2ccc(C#N)cc2)C1(C)C ZINC000176260443 546424976 /nfs/dbraw/zinc/42/49/76/546424976.db2.gz RDGKUCJNEODQQN-IRXDYDNUSA-N 1 2 350.484 2.467 20 30 FEEDLO CCn1ncc2ccc(NC(=O)N(CCC#N)CC[NH+]3CCOCC3)cc21 ZINC000176937845 546511710 /nfs/dbraw/zinc/51/17/10/546511710.db2.gz LXKZUFCLFQAUGT-UHFFFAOYSA-N 1 2 370.457 2.136 20 30 FEEDLO N#CC1(CS(=O)(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)CC1 ZINC000180408590 547102889 /nfs/dbraw/zinc/10/28/89/547102889.db2.gz QQGRSVGXQPRCCY-UHFFFAOYSA-N 1 2 369.437 2.152 20 30 FEEDLO N#Cc1csc(C[N@H+]2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)c1 ZINC000182310938 547472242 /nfs/dbraw/zinc/47/22/42/547472242.db2.gz ISDPMAIWXQCUFS-INIZCTEOSA-N 1 2 353.513 2.446 20 30 FEEDLO N#Cc1csc(C[N@@H+]2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)c1 ZINC000182310938 547472247 /nfs/dbraw/zinc/47/22/47/547472247.db2.gz ISDPMAIWXQCUFS-INIZCTEOSA-N 1 2 353.513 2.446 20 30 FEEDLO C=CC[N@@H+](C[C@@H](O)COc1cc(C)ccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000182521046 547507381 /nfs/dbraw/zinc/50/73/81/547507381.db2.gz RKZAHFQRJJWDOI-HUUCEWRRSA-N 1 2 373.902 2.063 20 30 FEEDLO C=CC[N@H+](C[C@@H](O)COc1cc(C)ccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000182521046 547507386 /nfs/dbraw/zinc/50/73/86/547507386.db2.gz RKZAHFQRJJWDOI-HUUCEWRRSA-N 1 2 373.902 2.063 20 30 FEEDLO Cc1occc1C[N@H+](C)CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000182699847 547536907 /nfs/dbraw/zinc/53/69/07/547536907.db2.gz FOJUDIRDYHKKML-QGZVFWFLSA-N 1 2 372.494 2.490 20 30 FEEDLO Cc1occc1C[N@@H+](C)CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000182699847 547536913 /nfs/dbraw/zinc/53/69/13/547536913.db2.gz FOJUDIRDYHKKML-QGZVFWFLSA-N 1 2 372.494 2.490 20 30 FEEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCOCC2(CCOCC2)C1 ZINC000184080498 547766397 /nfs/dbraw/zinc/76/63/97/547766397.db2.gz AQJYQJAXIDTKDO-UHFFFAOYSA-N 1 2 363.845 2.279 20 30 FEEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCOCC2(CCOCC2)C1 ZINC000184080498 547766401 /nfs/dbraw/zinc/76/64/01/547766401.db2.gz AQJYQJAXIDTKDO-UHFFFAOYSA-N 1 2 363.845 2.279 20 30 FEEDLO C=C(C)CS(=O)(=O)N[C@@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1 ZINC000184326248 547808412 /nfs/dbraw/zinc/80/84/12/547808412.db2.gz WAIGSLODOGKRQA-MRXNPFEDSA-N 1 2 365.455 2.022 20 30 FEEDLO N#Cc1cccnc1-n1cc(NC(=O)NCCc2cn3ccccc3[nH+]2)cn1 ZINC000184637869 547859170 /nfs/dbraw/zinc/85/91/70/547859170.db2.gz GSCVSANQJPFAEE-UHFFFAOYSA-N 1 2 372.392 2.151 20 30 FEEDLO N#C[C@H](c1ccccc1)N1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)CC1 ZINC000485093306 561312436 /nfs/dbraw/zinc/31/24/36/561312436.db2.gz BPCFKLSHNAUQAQ-HXUWFJFHSA-N 1 2 372.432 2.290 20 30 FEEDLO Cn1cc(-c2cc(C[NH+]3CCN([C@H](C#N)c4ccccc4)CC3)on2)cn1 ZINC000185034761 547920346 /nfs/dbraw/zinc/92/03/46/547920346.db2.gz VNFADKWPGKFTGF-HXUWFJFHSA-N 1 2 362.437 2.458 20 30 FEEDLO C[C@@H]([NH2+]CC(=O)N[C@@](C)(C#N)C1CC1)c1nc(-c2cccc(F)c2)no1 ZINC000185079076 547929007 /nfs/dbraw/zinc/92/90/07/547929007.db2.gz CDOOZXWBHJHDKL-ZMZPIMSZSA-N 1 2 357.389 2.335 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@H](C)c1nc(Cc2ccccc2)no1 ZINC000185377517 547976430 /nfs/dbraw/zinc/97/64/30/547976430.db2.gz ZHYPXGTXOXAXAT-AUUYWEPGSA-N 1 2 355.442 2.365 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C[C@@H](O)Cc3ccccc3)CC2)cc1 ZINC000485584073 561323238 /nfs/dbraw/zinc/32/32/38/561323238.db2.gz WYBUYDZDKSQOSA-NRFANRHFSA-N 1 2 363.461 2.196 20 30 FEEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCCC[C@@]2(C)C(N)=O)c1C ZINC000185934581 548061866 /nfs/dbraw/zinc/06/18/66/548061866.db2.gz GWPOOJZNGLPXDM-FQEVSTJZSA-N 1 2 356.470 2.280 20 30 FEEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCCC[C@@]2(C)C(N)=O)c1C ZINC000185934581 548061868 /nfs/dbraw/zinc/06/18/68/548061868.db2.gz GWPOOJZNGLPXDM-FQEVSTJZSA-N 1 2 356.470 2.280 20 30 FEEDLO CCOC(=O)c1nn(C)cc1C[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000186188475 548096860 /nfs/dbraw/zinc/09/68/60/548096860.db2.gz VFUAKODACWSHJO-UHFFFAOYSA-N 1 2 367.453 2.181 20 30 FEEDLO CCOC(=O)c1nn(C)cc1C[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000186188475 548096861 /nfs/dbraw/zinc/09/68/61/548096861.db2.gz VFUAKODACWSHJO-UHFFFAOYSA-N 1 2 367.453 2.181 20 30 FEEDLO CC1(C)OCc2cc(CN(CCC#N)CC[NH+]3CCOCC3)ccc2O1 ZINC000186248080 548106704 /nfs/dbraw/zinc/10/67/04/548106704.db2.gz IBHJKDMAWUYSRB-UHFFFAOYSA-N 1 2 359.470 2.380 20 30 FEEDLO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000188007102 548269014 /nfs/dbraw/zinc/26/90/14/548269014.db2.gz SUZDYNTVSQYGOS-INIZCTEOSA-N 1 2 373.497 2.002 20 30 FEEDLO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000188007102 548269019 /nfs/dbraw/zinc/26/90/19/548269019.db2.gz SUZDYNTVSQYGOS-INIZCTEOSA-N 1 2 373.497 2.002 20 30 FEEDLO CCc1nnc(C2CC[NH+]([C@@H](C)C(=O)NC3(C#N)CCCCC3)CC2)[nH]1 ZINC000190692283 548332884 /nfs/dbraw/zinc/33/28/84/548332884.db2.gz WVZUTLIJQNGCDJ-AWEZNQCLSA-N 1 2 358.490 2.278 20 30 FEEDLO CCc1n[nH]c(C2CC[NH+]([C@@H](C)C(=O)NC3(C#N)CCCCC3)CC2)n1 ZINC000190692283 548332889 /nfs/dbraw/zinc/33/28/89/548332889.db2.gz WVZUTLIJQNGCDJ-AWEZNQCLSA-N 1 2 358.490 2.278 20 30 FEEDLO CCc1nc(C2CC[NH+]([C@@H](C)C(=O)NC3(C#N)CCCCC3)CC2)n[nH]1 ZINC000190692283 548332892 /nfs/dbraw/zinc/33/28/92/548332892.db2.gz WVZUTLIJQNGCDJ-AWEZNQCLSA-N 1 2 358.490 2.278 20 30 FEEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCc3cc(Cl)ccc3C2)CC1 ZINC000192247252 548361729 /nfs/dbraw/zinc/36/17/29/548361729.db2.gz GJCNGNPTYBNNCX-LJQANCHMSA-N 1 2 374.916 2.390 20 30 FEEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CCc3cc(Cl)ccc3C2)CC1 ZINC000192247252 548361731 /nfs/dbraw/zinc/36/17/31/548361731.db2.gz GJCNGNPTYBNNCX-LJQANCHMSA-N 1 2 374.916 2.390 20 30 FEEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CCN(c2cnccn2)CC1 ZINC000192563230 548366605 /nfs/dbraw/zinc/36/66/05/548366605.db2.gz MLZYRHJEKRNKLY-INIZCTEOSA-N 1 2 371.510 2.263 20 30 FEEDLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@]1(C#N)CCC[C@H](C)C1 ZINC000486397705 561346247 /nfs/dbraw/zinc/34/62/47/561346247.db2.gz SHTWKGHCDXNEKR-GMBSWORKSA-N 1 2 359.474 2.072 20 30 FEEDLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@]1(C#N)CCC[C@H](C)C1 ZINC000486397705 561346248 /nfs/dbraw/zinc/34/62/48/561346248.db2.gz SHTWKGHCDXNEKR-GMBSWORKSA-N 1 2 359.474 2.072 20 30 FEEDLO Cc1nn(-c2ccccc2)c(C)c1CNC(=O)C[NH+]1CCC(C#N)CC1 ZINC000195309987 548619496 /nfs/dbraw/zinc/61/94/96/548619496.db2.gz LVBBTCLZOVKZKO-UHFFFAOYSA-N 1 2 351.454 2.341 20 30 FEEDLO CC[C@H](C)NC(=O)C[NH+]1CCN(c2c(C#N)cnc3ccc(C)cc32)CC1 ZINC000487910325 561378549 /nfs/dbraw/zinc/37/85/49/561378549.db2.gz HPVUGPXXXZLBQF-INIZCTEOSA-N 1 2 365.481 2.452 20 30 FEEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000245589199 548952312 /nfs/dbraw/zinc/95/23/12/548952312.db2.gz FSURLUCUYWMQRI-ZFWWWQNUSA-N 1 2 358.467 2.034 20 30 FEEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000245589199 548952315 /nfs/dbraw/zinc/95/23/15/548952315.db2.gz FSURLUCUYWMQRI-ZFWWWQNUSA-N 1 2 358.467 2.034 20 30 FEEDLO C[C@@H]1CC[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C[C@H]1n1ccnc1 ZINC000246334566 549109137 /nfs/dbraw/zinc/10/91/37/549109137.db2.gz TVEXAVMTZNPLDC-CRAIPNDOSA-N 1 2 358.467 2.112 20 30 FEEDLO C[C@@H]1CC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C[C@H]1n1ccnc1 ZINC000246334566 549109142 /nfs/dbraw/zinc/10/91/42/549109142.db2.gz TVEXAVMTZNPLDC-CRAIPNDOSA-N 1 2 358.467 2.112 20 30 FEEDLO N#Cc1cc(S(=O)(=O)NCc2cccc(Cn3cc[nH+]c3)c2)ccc1F ZINC000488850505 561398183 /nfs/dbraw/zinc/39/81/83/561398183.db2.gz GJCFASBSMYZTNX-UHFFFAOYSA-N 1 2 370.409 2.421 20 30 FEEDLO C[N@@H+]1CCO[C@@H]([C@@H](NC(=O)c2cc(C#N)c[nH]2)c2ccc(Cl)cc2)C1 ZINC000246965740 549253064 /nfs/dbraw/zinc/25/30/64/549253064.db2.gz IGEKOYFOCSOSQK-SJORKVTESA-N 1 2 358.829 2.341 20 30 FEEDLO C[N@H+]1CCO[C@@H]([C@@H](NC(=O)c2cc(C#N)c[nH]2)c2ccc(Cl)cc2)C1 ZINC000246965740 549253067 /nfs/dbraw/zinc/25/30/67/549253067.db2.gz IGEKOYFOCSOSQK-SJORKVTESA-N 1 2 358.829 2.341 20 30 FEEDLO Cc1ncc(S(=O)(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)cc1C#N ZINC000489080588 561403034 /nfs/dbraw/zinc/40/30/34/561403034.db2.gz XNTQLCCHXHRWTD-KRWDZBQOSA-N 1 2 374.466 2.360 20 30 FEEDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N2CCO[C@@H](C#N)C2)C[C@@H](C)O1 ZINC000247591244 549363980 /nfs/dbraw/zinc/36/39/80/549363980.db2.gz JQYYOWBGJOWMGL-INMHGKMJSA-N 1 2 358.442 2.052 20 30 FEEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255886399 549709238 /nfs/dbraw/zinc/70/92/38/549709238.db2.gz LQGFBSXXMNNNON-VOKGJARPSA-N 1 2 364.409 2.480 20 30 FEEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255886399 549709240 /nfs/dbraw/zinc/70/92/40/549709240.db2.gz LQGFBSXXMNNNON-VOKGJARPSA-N 1 2 364.409 2.480 20 30 FEEDLO N#Cc1cccc(NC(=O)C2CCN(C(=O)CCn3cc[nH+]c3)CC2)c1 ZINC000263663818 549915612 /nfs/dbraw/zinc/91/56/12/549915612.db2.gz DGXIMXJBKPEQFN-UHFFFAOYSA-N 1 2 351.410 2.022 20 30 FEEDLO N#CCCC[NH+]1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 ZINC000263847601 549945362 /nfs/dbraw/zinc/94/53/62/549945362.db2.gz NUQASHLIRAXSGU-UHFFFAOYSA-N 1 2 357.845 2.312 20 30 FEEDLO Cc1occc1C(=O)NC1CC[NH+](CC(=O)NC2(C#N)CCCCC2)CC1 ZINC000263894775 549951909 /nfs/dbraw/zinc/95/19/09/549951909.db2.gz VXLCCPLOHRFYFA-UHFFFAOYSA-N 1 2 372.469 2.125 20 30 FEEDLO COc1cc(C(N)=[NH+]OCc2noc(C3CC3)n2)cc(Cl)c1OC ZINC000264529630 549997045 /nfs/dbraw/zinc/99/70/45/549997045.db2.gz HNGDXYBDNIZFPC-UHFFFAOYSA-N 1 2 352.778 2.455 20 30 FEEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+](C)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000264731217 550000394 /nfs/dbraw/zinc/00/03/94/550000394.db2.gz PNCLKLPMEXVSRA-XJKSGUPXSA-N 1 2 362.861 2.138 20 30 FEEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+](C)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000264731217 550000397 /nfs/dbraw/zinc/00/03/97/550000397.db2.gz PNCLKLPMEXVSRA-XJKSGUPXSA-N 1 2 362.861 2.138 20 30 FEEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C)[C@H]1CCN(C)C1=O ZINC000265642893 550012690 /nfs/dbraw/zinc/01/26/90/550012690.db2.gz KKVKJOZVZGDBEM-HIFRSBDPSA-N 1 2 360.483 2.182 20 30 FEEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C)[C@H]1CCN(C)C1=O ZINC000265642893 550012693 /nfs/dbraw/zinc/01/26/93/550012693.db2.gz KKVKJOZVZGDBEM-HIFRSBDPSA-N 1 2 360.483 2.182 20 30 FEEDLO C[NH+](C)CCCNC(=O)C[C@@H]1S/C(=N/c2ccccc2)N(C2CC2)C1=O ZINC000266016924 550016193 /nfs/dbraw/zinc/01/61/93/550016193.db2.gz SHWGVNKULWYOTN-YGCDDZCOSA-N 1 2 374.510 2.239 20 30 FEEDLO C[NH+](C)CCCNC(=O)CC1S/C(=N/c2ccccc2)N(C2CC2)C1=O ZINC000266016924 550016194 /nfs/dbraw/zinc/01/61/94/550016194.db2.gz SHWGVNKULWYOTN-YGCDDZCOSA-N 1 2 374.510 2.239 20 30 FEEDLO CC(=O)Nc1cccc(NC(=O)[C@@H](C)O[NH+]=C(N)[C@@H](C)OCC(C)C)c1 ZINC000266187982 550018417 /nfs/dbraw/zinc/01/84/17/550018417.db2.gz HVGCGLDTNWCPDJ-CHWSQXEVSA-N 1 2 364.446 2.322 20 30 FEEDLO C[C@@](C#N)(NC(=O)C[NH+]1CCN(c2ccc3ccccc3n2)CC1)C1CC1 ZINC000266852650 550025030 /nfs/dbraw/zinc/02/50/30/550025030.db2.gz FEJKQYIWPLQGQL-NRFANRHFSA-N 1 2 363.465 2.165 20 30 FEEDLO C#CC[C@@H](NC(=O)NCc1ccc(N2CCOCC2)[nH+]c1)c1ccccc1 ZINC000270100853 550249313 /nfs/dbraw/zinc/24/93/13/550249313.db2.gz FGUDJXGMYAIOBM-LJQANCHMSA-N 1 2 364.449 2.482 20 30 FEEDLO C=CC[N@@H+](Cc1cc(OC)c(OCC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000271159097 550346735 /nfs/dbraw/zinc/34/67/35/550346735.db2.gz OCSGLXKODBPZNT-OAHLLOKOSA-N 1 2 369.483 2.278 20 30 FEEDLO C=CC[N@H+](Cc1cc(OC)c(OCC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000271159097 550346738 /nfs/dbraw/zinc/34/67/38/550346738.db2.gz OCSGLXKODBPZNT-OAHLLOKOSA-N 1 2 369.483 2.278 20 30 FEEDLO C=CCN(C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1)C1CC1 ZINC000271326156 550364911 /nfs/dbraw/zinc/36/49/11/550364911.db2.gz ADMBHEXHRSTSAR-UHFFFAOYSA-N 1 2 359.470 2.258 20 30 FEEDLO CC1(C#N)CCN(C(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)CC1 ZINC000272375767 550442206 /nfs/dbraw/zinc/44/22/06/550442206.db2.gz FMRGJYSSCHMMMI-GOSISDBHSA-N 1 2 356.470 2.395 20 30 FEEDLO CC1(C#N)CCN(C(=O)NCc2ccccc2C[NH+]2CCOCC2)CC1 ZINC000272458182 550449890 /nfs/dbraw/zinc/44/98/90/550449890.db2.gz UPIIUPVKAJCSGM-UHFFFAOYSA-N 1 2 356.470 2.354 20 30 FEEDLO CCN(CCC#N)C(=O)CN1CCc2c([nH+]cn2-c2ccc(F)cc2)C1 ZINC000272687459 550465162 /nfs/dbraw/zinc/46/51/62/550465162.db2.gz DJFSEIXDVWWAKI-UHFFFAOYSA-N 1 2 355.417 2.132 20 30 FEEDLO Cn1cc[nH+]c1-c1cccc(NC(=O)C(=O)N2CCC(C)(C#N)CC2)c1 ZINC000272712862 550466392 /nfs/dbraw/zinc/46/63/92/550466392.db2.gz RTWSWRBEPPHIJC-UHFFFAOYSA-N 1 2 351.410 2.178 20 30 FEEDLO COCCOc1ccc(C#N)cc1NC(=O)NCCNc1cccc[nH+]1 ZINC000273171871 550488213 /nfs/dbraw/zinc/48/82/13/550488213.db2.gz MDZARRDUMJJACN-UHFFFAOYSA-N 1 2 355.398 2.212 20 30 FEEDLO CCN(CC)C(=O)C[N@@H+]1CCCN(c2cc(C(C)=O)ccc2C#N)CC1 ZINC000273243139 550491288 /nfs/dbraw/zinc/49/12/88/550491288.db2.gz UMUUUFKOIZAQEB-UHFFFAOYSA-N 1 2 356.470 2.141 20 30 FEEDLO CCN(CC)C(=O)C[N@H+]1CCCN(c2cc(C(C)=O)ccc2C#N)CC1 ZINC000273243139 550491289 /nfs/dbraw/zinc/49/12/89/550491289.db2.gz UMUUUFKOIZAQEB-UHFFFAOYSA-N 1 2 356.470 2.141 20 30 FEEDLO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@H](C)c1nc(-c2ccccc2OC)no1 ZINC000273442394 550498935 /nfs/dbraw/zinc/49/89/35/550498935.db2.gz ZSFVHGFBWFIICR-ZIAGYGMSSA-N 1 2 371.441 2.404 20 30 FEEDLO C#CC[N@@H+](CC(=O)Nc1ccccc1I)C1CC1 ZINC000274247694 550529683 /nfs/dbraw/zinc/52/96/83/550529683.db2.gz YYIOHULHVKRQQA-UHFFFAOYSA-N 1 2 354.191 2.327 20 30 FEEDLO C#CC[N@H+](CC(=O)Nc1ccccc1I)C1CC1 ZINC000274247694 550529685 /nfs/dbraw/zinc/52/96/85/550529685.db2.gz YYIOHULHVKRQQA-UHFFFAOYSA-N 1 2 354.191 2.327 20 30 FEEDLO C[N@H+](Cc1ncccn1)[C@H]1CCN(C(=O)Nc2cccc(OCC#N)c2)C1 ZINC000275510688 550572486 /nfs/dbraw/zinc/57/24/86/550572486.db2.gz CMCYONFWCKJSRY-INIZCTEOSA-N 1 2 366.425 2.117 20 30 FEEDLO C[N@@H+](Cc1ncccn1)[C@H]1CCN(C(=O)Nc2cccc(OCC#N)c2)C1 ZINC000275510688 550572488 /nfs/dbraw/zinc/57/24/88/550572488.db2.gz CMCYONFWCKJSRY-INIZCTEOSA-N 1 2 366.425 2.117 20 30 FEEDLO Cn1c2c([nH+]c1[C@H]1CCCN1CC(=O)N[C@](C)(C#N)C1CC1)CCCC2 ZINC000275569612 550572912 /nfs/dbraw/zinc/57/29/12/550572912.db2.gz FFRUBXQRFZIFLJ-YLJYHZDGSA-N 1 2 355.486 2.244 20 30 FEEDLO C[C@@H](C#N)CN(C)C(=O)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000275743225 550573980 /nfs/dbraw/zinc/57/39/80/550573980.db2.gz WXDUUUXHYSUYHU-AWEZNQCLSA-N 1 2 365.437 2.443 20 30 FEEDLO CCC[N@H+](Cc1nnnn1CC1CCOCC1)Cc1ccc(C#N)cc1 ZINC000277763570 550711262 /nfs/dbraw/zinc/71/12/62/550711262.db2.gz QNRFURCVNRZSIC-UHFFFAOYSA-N 1 2 354.458 2.384 20 30 FEEDLO CCC[N@@H+](Cc1nnnn1CC1CCOCC1)Cc1ccc(C#N)cc1 ZINC000277763570 550711263 /nfs/dbraw/zinc/71/12/63/550711263.db2.gz QNRFURCVNRZSIC-UHFFFAOYSA-N 1 2 354.458 2.384 20 30 FEEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCO[C@]2(CCO[C@@H]2C)C1 ZINC000280563255 551007895 /nfs/dbraw/zinc/00/78/95/551007895.db2.gz VBLQTJYPHSGOAW-SNUQEOBHSA-N 1 2 363.845 2.418 20 30 FEEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCO[C@]2(CCO[C@@H]2C)C1 ZINC000280563255 551007897 /nfs/dbraw/zinc/00/78/97/551007897.db2.gz VBLQTJYPHSGOAW-SNUQEOBHSA-N 1 2 363.845 2.418 20 30 FEEDLO C=CCN1CC[C@H](N(C)C(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)C1=O ZINC000281222539 551075435 /nfs/dbraw/zinc/07/54/35/551075435.db2.gz DLGVSCRZXPVIHP-ZWKOTPCHSA-N 1 2 373.522 2.022 20 30 FEEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](C)C(=O)NC(=O)Nc2ccc(C)cc2C)C1=O ZINC000281341740 551086595 /nfs/dbraw/zinc/08/65/95/551086595.db2.gz MMOMVIGEOOVQHG-DOTOQJQBSA-N 1 2 372.469 2.059 20 30 FEEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H](C)C(=O)NC(=O)Nc2ccc(C)cc2C)C1=O ZINC000281341740 551086596 /nfs/dbraw/zinc/08/65/96/551086596.db2.gz MMOMVIGEOOVQHG-DOTOQJQBSA-N 1 2 372.469 2.059 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000281361470 551088196 /nfs/dbraw/zinc/08/81/96/551088196.db2.gz KTHWUTAOGVJEBZ-AABGKKOBSA-N 1 2 373.497 2.340 20 30 FEEDLO CN(CC(C)(C)C#N)C(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000497354667 561499067 /nfs/dbraw/zinc/49/90/67/561499067.db2.gz KMFIRWBZFBSMJG-MRXNPFEDSA-N 1 2 359.474 2.025 20 30 FEEDLO CN(CC(C)(C)C#N)C(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000497354667 561499068 /nfs/dbraw/zinc/49/90/68/561499068.db2.gz KMFIRWBZFBSMJG-MRXNPFEDSA-N 1 2 359.474 2.025 20 30 FEEDLO CO[C@@H]1CC[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)[C@H](C)C1 ZINC000282271449 551204321 /nfs/dbraw/zinc/20/43/21/551204321.db2.gz HQXXEVRMPHASEJ-RHSMWYFYSA-N 1 2 353.426 2.182 20 30 FEEDLO CO[C@@H]1CC[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)[C@H](C)C1 ZINC000282271449 551204323 /nfs/dbraw/zinc/20/43/23/551204323.db2.gz HQXXEVRMPHASEJ-RHSMWYFYSA-N 1 2 353.426 2.182 20 30 FEEDLO N#Cc1ccc(CNc2ccc(C(=O)NCC[NH+]3CCOCC3)cc2)s1 ZINC000283455165 551369192 /nfs/dbraw/zinc/36/91/92/551369192.db2.gz RIDJHTMEKLMAAJ-UHFFFAOYSA-N 1 2 370.478 2.294 20 30 FEEDLO Cc1cccc([C@H](CNC(=O)c2cc(C#N)ccn2)[NH+]2CCOCC2)c1 ZINC000283801962 551429620 /nfs/dbraw/zinc/42/96/20/551429620.db2.gz WFDQAWDRDKDPNO-IBGZPJMESA-N 1 2 350.422 2.065 20 30 FEEDLO C[C@H](NC(=O)C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccc(C#N)cc1 ZINC000283928717 551451632 /nfs/dbraw/zinc/45/16/32/551451632.db2.gz JJAQWIBRKIOOIE-VKJFTORMSA-N 1 2 365.437 2.042 20 30 FEEDLO COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)O[NH+]=C(N)[C@@H]1CCCO1 ZINC000284434497 551548217 /nfs/dbraw/zinc/54/82/17/551548217.db2.gz OXLOQHUMOKCRJO-MFKMUULPSA-N 1 2 355.822 2.452 20 30 FEEDLO C=CCCN(C)C(=O)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000284764681 551627100 /nfs/dbraw/zinc/62/71/00/551627100.db2.gz RLOPDTCOHGUPDY-OAHLLOKOSA-N 1 2 360.845 2.314 20 30 FEEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)C1CCN(c2ccc(C#N)cc2F)CC1 ZINC000285135025 551709667 /nfs/dbraw/zinc/70/96/67/551709667.db2.gz KWFLAACYAMYJIS-CQSZACIVSA-N 1 2 355.417 2.315 20 30 FEEDLO CC[NH+]1CCN(S(=O)(=O)c2cccc(NCc3ccc(C#N)o3)c2)CC1 ZINC000286152032 551854815 /nfs/dbraw/zinc/85/48/15/551854815.db2.gz VZBYVSVWQKKJJK-UHFFFAOYSA-N 1 2 374.466 2.090 20 30 FEEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)Nc1ccc(C#N)c(Br)c1 ZINC000287091027 551962234 /nfs/dbraw/zinc/96/22/34/551962234.db2.gz CYLBYOPBNVBVJT-LLVKDONJSA-N 1 2 367.247 2.163 20 30 FEEDLO Cn1cc[nH+]c1CNC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000287473233 552008669 /nfs/dbraw/zinc/00/86/69/552008669.db2.gz PXDVOFCJBKOSPQ-UHFFFAOYSA-N 1 2 357.389 2.184 20 30 FEEDLO Cc1cc[nH+]c(C)c1NC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000287510595 552013488 /nfs/dbraw/zinc/01/34/88/552013488.db2.gz MEISUWVMHWORMG-KRWDZBQOSA-N 1 2 363.421 2.493 20 30 FEEDLO CCOC1CC(CNc2nc(Cl)c(C#N)s2)([NH+]2CCOCC2)C1 ZINC000287668053 552032417 /nfs/dbraw/zinc/03/24/17/552032417.db2.gz IUWPBZULMKRNOE-UHFFFAOYSA-N 1 2 356.879 2.350 20 30 FEEDLO C=CCN1CC[C@@H]([N@H+](CCO)Cc2cc(Br)cs2)C1=O ZINC000499730736 561557154 /nfs/dbraw/zinc/55/71/54/561557154.db2.gz CVGRMXBNOGQYMO-CYBMUJFWSA-N 1 2 359.289 2.092 20 30 FEEDLO C=CCN1CC[C@@H]([N@@H+](CCO)Cc2cc(Br)cs2)C1=O ZINC000499730736 561557155 /nfs/dbraw/zinc/55/71/55/561557155.db2.gz CVGRMXBNOGQYMO-CYBMUJFWSA-N 1 2 359.289 2.092 20 30 FEEDLO COc1cc[nH+]cc1NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 ZINC000499793688 561558647 /nfs/dbraw/zinc/55/86/47/561558647.db2.gz ISPRJFBKNXTZEM-UHFFFAOYSA-N 1 2 359.407 2.420 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)C1=O ZINC000499960114 561562977 /nfs/dbraw/zinc/56/29/77/561562977.db2.gz BZQFYRIUIUUOOH-JKSUJKDBSA-N 1 2 365.836 2.303 20 30 FEEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)C1=O ZINC000499960114 561562978 /nfs/dbraw/zinc/56/29/78/561562978.db2.gz BZQFYRIUIUUOOH-JKSUJKDBSA-N 1 2 365.836 2.303 20 30 FEEDLO N#CC1(NC(=O)C[NH2+][C@@H](CO)c2cccc(Cl)c2F)CCCCC1 ZINC000499967818 561563212 /nfs/dbraw/zinc/56/32/12/561563212.db2.gz WJQHSIIAHJLRON-AWEZNQCLSA-N 1 2 353.825 2.445 20 30 FEEDLO C[N@H+](CCCOCc1ccccc1)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000289437374 552321275 /nfs/dbraw/zinc/32/12/75/552321275.db2.gz ODHWQUGLNVQQOQ-UHFFFAOYSA-N 1 2 373.478 2.266 20 30 FEEDLO C[N@@H+](CCCOCc1ccccc1)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000289437374 552321277 /nfs/dbraw/zinc/32/12/77/552321277.db2.gz ODHWQUGLNVQQOQ-UHFFFAOYSA-N 1 2 373.478 2.266 20 30 FEEDLO CC[C@@](C)([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)c1nccs1 ZINC000289931198 552401506 /nfs/dbraw/zinc/40/15/06/552401506.db2.gz OIUQRILOCPSZQT-OAHLLOKOSA-N 1 2 350.469 2.098 20 30 FEEDLO C[C@@H](CCO)[N@H+](CCS(=O)(=O)c1ccc(C#N)cn1)Cc1ccccc1 ZINC000289956864 552405630 /nfs/dbraw/zinc/40/56/30/552405630.db2.gz POWSZCIYKRRFOB-INIZCTEOSA-N 1 2 373.478 2.000 20 30 FEEDLO C[C@@H](CCO)[N@@H+](CCS(=O)(=O)c1ccc(C#N)cn1)Cc1ccccc1 ZINC000289956864 552405634 /nfs/dbraw/zinc/40/56/34/552405634.db2.gz POWSZCIYKRRFOB-INIZCTEOSA-N 1 2 373.478 2.000 20 30 FEEDLO Cc1cc[nH+]cc1N1CCN(C(=O)[C@@H](C)Oc2ccccc2C#N)CC1 ZINC000500663539 561578957 /nfs/dbraw/zinc/57/89/57/561578957.db2.gz MKJPSUDZGGJXRN-MRXNPFEDSA-N 1 2 350.422 2.378 20 30 FEEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCc1c[nH+]cn1C ZINC000290182073 552439557 /nfs/dbraw/zinc/43/95/57/552439557.db2.gz ZDSSGURJJGKRMT-GFCCVEGCSA-N 1 2 357.439 2.069 20 30 FEEDLO CCOC1CC(CNc2ccc(C#N)c([N+](=O)[O-])c2)([NH+]2CCOCC2)C1 ZINC000291040073 552579120 /nfs/dbraw/zinc/57/91/20/552579120.db2.gz ZUXGPEHLCPWGQD-UHFFFAOYSA-N 1 2 360.414 2.148 20 30 FEEDLO CN(Cc1cccs1)C(=O)C[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292390770 552722472 /nfs/dbraw/zinc/72/24/72/552722472.db2.gz ZTHAJFFTUGLADM-OAHLLOKOSA-N 1 2 356.451 2.126 20 30 FEEDLO CN(Cc1cccs1)C(=O)C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292390770 552722473 /nfs/dbraw/zinc/72/24/73/552722473.db2.gz ZTHAJFFTUGLADM-OAHLLOKOSA-N 1 2 356.451 2.126 20 30 FEEDLO N#C[C@H]1CC[C@@H]([NH+]2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)C1 ZINC000293556591 552835267 /nfs/dbraw/zinc/83/52/67/552835267.db2.gz RPQWGMTXTZCGOG-QWHCGFSZSA-N 1 2 371.865 2.478 20 30 FEEDLO N#Cc1cc(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cnc1C(F)(F)F ZINC000293643268 552843205 /nfs/dbraw/zinc/84/32/05/552843205.db2.gz UTPLIAJXQKVCMD-ZDUSSCGKSA-N 1 2 361.327 2.376 20 30 FEEDLO C[NH+](C)[C@H](CNS(=O)(=O)Cc1ccc(F)cc1C#N)c1ccco1 ZINC000294594449 552918767 /nfs/dbraw/zinc/91/87/67/552918767.db2.gz ZLNPMEYXCZFEMX-OAHLLOKOSA-N 1 2 351.403 2.013 20 30 FEEDLO C#CCNC(=O)CCSc1nnc([C@@H](CC)[NH+](C)C)n1CCCC ZINC000295924412 553076756 /nfs/dbraw/zinc/07/67/56/553076756.db2.gz HPJBIUMKQAICTO-CQSZACIVSA-N 1 2 351.520 2.323 20 30 FEEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CC[C@H](OC(=O)N(C)C)C2)c1C ZINC000296676982 553196904 /nfs/dbraw/zinc/19/69/04/553196904.db2.gz LCAUHGHPWLSEBU-KRWDZBQOSA-N 1 2 372.469 2.323 20 30 FEEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H](OC(=O)N(C)C)C2)c1C ZINC000296676982 553196905 /nfs/dbraw/zinc/19/69/05/553196905.db2.gz LCAUHGHPWLSEBU-KRWDZBQOSA-N 1 2 372.469 2.323 20 30 FEEDLO N#CC[C@@H]1CC[C@H](NC(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)C1 ZINC000297373187 553284399 /nfs/dbraw/zinc/28/43/99/553284399.db2.gz FRYGQOBUHNTXMC-YTQUADARSA-N 1 2 356.470 2.441 20 30 FEEDLO N#CC[C@@H]1CC[C@H](NC(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)C1 ZINC000297605622 553314710 /nfs/dbraw/zinc/31/47/10/553314710.db2.gz ZQXSYFRLXRRUQI-WDSOQIARSA-N 1 2 356.470 2.441 20 30 FEEDLO COc1ccc(N2CC[NH+](CCNC(=O)C3(C#N)CCCC3)CC2)cc1 ZINC000299521788 553574882 /nfs/dbraw/zinc/57/48/82/553574882.db2.gz ZCQSJJMHDABPDN-UHFFFAOYSA-N 1 2 356.470 2.017 20 30 FEEDLO C#CCNC(=O)c1ccc(N2CC[NH+](Cc3ccc(Cl)s3)CC2)nc1 ZINC000301085047 553620035 /nfs/dbraw/zinc/62/00/35/553620035.db2.gz JVCJGAJSUSZLQM-UHFFFAOYSA-N 1 2 374.897 2.482 20 30 FEEDLO CCN(CC)C(=O)C[N@@H+]1CCCN(c2c(F)cc(C#N)cc2F)CC1 ZINC000301169436 553627886 /nfs/dbraw/zinc/62/78/86/553627886.db2.gz WPUIBXIMMNMUJH-UHFFFAOYSA-N 1 2 350.413 2.217 20 30 FEEDLO CCN(CC)C(=O)C[N@H+]1CCCN(c2c(F)cc(C#N)cc2F)CC1 ZINC000301169436 553627887 /nfs/dbraw/zinc/62/78/87/553627887.db2.gz WPUIBXIMMNMUJH-UHFFFAOYSA-N 1 2 350.413 2.217 20 30 FEEDLO CCc1nnc(N2CCN(C3=[NH+]CC(C)(C)S3)CC2)c(C#N)c1CC ZINC000301662717 553669660 /nfs/dbraw/zinc/66/96/60/553669660.db2.gz YJARMFMFIOKKRB-UHFFFAOYSA-N 1 2 358.515 2.476 20 30 FEEDLO Cc1cc(NC(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)ncc1C#N ZINC000603119460 553712309 /nfs/dbraw/zinc/71/23/09/553712309.db2.gz YFITWNKIGQFAMX-SFHVURJKSA-N 1 2 365.437 2.457 20 30 FEEDLO COc1ccccc1[C@H]1CN(C(=O)CNc2cccc(C#N)c2)CC[NH2+]1 ZINC000505559063 561674125 /nfs/dbraw/zinc/67/41/25/561674125.db2.gz TURDRWKIZWPXJG-GOSISDBHSA-N 1 2 350.422 2.152 20 30 FEEDLO O=C(NC[C@H]1CCCn2cc[nH+]c21)N1CCC(C(=O)N2CCCC2)CC1 ZINC000328614922 553796689 /nfs/dbraw/zinc/79/66/89/553796689.db2.gz RKYLKUTXPLSKHP-MRXNPFEDSA-N 1 2 359.474 2.009 20 30 FEEDLO CC[N@H+](Cc1noc(C)n1)[C@@H]1CCCN(C(=O)NC[C@H]2CCCO2)CC1 ZINC000328622526 553797673 /nfs/dbraw/zinc/79/76/73/553797673.db2.gz BHEXVQKLTQWHAF-HZPDHXFCSA-N 1 2 365.478 2.147 20 30 FEEDLO CC[N@@H+](Cc1noc(C)n1)[C@@H]1CCCN(C(=O)NC[C@H]2CCCO2)CC1 ZINC000328622526 553797679 /nfs/dbraw/zinc/79/76/79/553797679.db2.gz BHEXVQKLTQWHAF-HZPDHXFCSA-N 1 2 365.478 2.147 20 30 FEEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N[C@H](C)C(=O)N1CCCC[C@H]1C)CCC2 ZINC000328646622 553801996 /nfs/dbraw/zinc/80/19/96/553801996.db2.gz GYMYCDREUGBHIS-OAGGEKHMSA-N 1 2 361.490 2.362 20 30 FEEDLO Cn1cc2c(n1)CCC[C@@H]2C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000328650466 553802254 /nfs/dbraw/zinc/80/22/54/553802254.db2.gz JBDNMBJDXPGBDC-HNNXBMFYSA-N 1 2 355.442 2.228 20 30 FEEDLO C[C@@H]1OCCN(C(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)C2CCCCC2)[C@H]1C ZINC000328789037 553822374 /nfs/dbraw/zinc/82/23/74/553822374.db2.gz PQVAKGLTOCFPIR-ZQIUZPCESA-N 1 2 362.474 2.493 20 30 FEEDLO C[C@@H]1OCCN(C(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)C2CCCCC2)[C@H]1C ZINC000328789037 553822375 /nfs/dbraw/zinc/82/23/75/553822375.db2.gz PQVAKGLTOCFPIR-ZQIUZPCESA-N 1 2 362.474 2.493 20 30 FEEDLO C[C@H](NC(=O)CC1CCCCC1)C(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000328905852 553842494 /nfs/dbraw/zinc/84/24/94/553842494.db2.gz KIKOXJPFFAWCEE-UAGQMJEPSA-N 1 2 351.491 2.233 20 30 FEEDLO C[C@H](NC(=O)CC1CCCCC1)C(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000328905852 553842498 /nfs/dbraw/zinc/84/24/98/553842498.db2.gz KIKOXJPFFAWCEE-UAGQMJEPSA-N 1 2 351.491 2.233 20 30 FEEDLO Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)CN2CCCCC2=O)cc1 ZINC000328930225 553847196 /nfs/dbraw/zinc/84/71/96/553847196.db2.gz AQBSGSUNKNPMDM-GOSISDBHSA-N 1 2 359.470 2.337 20 30 FEEDLO N#C[C@@H](NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccccc1F ZINC000505912961 561684953 /nfs/dbraw/zinc/68/49/53/561684953.db2.gz PSUZEPXZLNGQCE-RTBURBONSA-N 1 2 353.397 2.408 20 30 FEEDLO N#C[C@@H](NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccccc1F ZINC000505912961 561684954 /nfs/dbraw/zinc/68/49/54/561684954.db2.gz PSUZEPXZLNGQCE-RTBURBONSA-N 1 2 353.397 2.408 20 30 FEEDLO N#C[C@H]1N(C(=O)c2cc(-n3cc[nH+]c3)ccn2)CCC[C@@]12CCCCO2 ZINC000328977330 553857384 /nfs/dbraw/zinc/85/73/84/553857384.db2.gz BZBMRWZUGKETCI-MJGOQNOKSA-N 1 2 351.410 2.335 20 30 FEEDLO C[C@@H]1CN(c2ccc(C(=O)N[C@@H]3CCc4[nH+]c[nH]c4C3)cn2)C[C@H](C)O1 ZINC000328984992 553858989 /nfs/dbraw/zinc/85/89/89/553858989.db2.gz ZKVAMNYNPITQJI-VNHYZAJKSA-N 1 2 355.442 2.280 20 30 FEEDLO C[C@@H]1CN(c2ccc(C(=O)N[C@@H]3CCc4[nH]c[nH+]c4C3)cn2)C[C@H](C)O1 ZINC000328984992 553858992 /nfs/dbraw/zinc/85/89/92/553858992.db2.gz ZKVAMNYNPITQJI-VNHYZAJKSA-N 1 2 355.442 2.280 20 30 FEEDLO CC[N@H+](C[C@H](C)C#N)[C@@H](C)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F ZINC000506055092 561688893 /nfs/dbraw/zinc/68/88/93/561688893.db2.gz AAMYBYLNQDOJNF-MNOVXSKESA-N 1 2 370.375 2.029 20 30 FEEDLO CC[N@@H+](C[C@H](C)C#N)[C@@H](C)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F ZINC000506055092 561688895 /nfs/dbraw/zinc/68/88/95/561688895.db2.gz AAMYBYLNQDOJNF-MNOVXSKESA-N 1 2 370.375 2.029 20 30 FEEDLO O=C(C[N@@H+]1CCN2C(=O)CC[C@@H]2C1)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000329071210 553875073 /nfs/dbraw/zinc/87/50/73/553875073.db2.gz YWGLOIDEGUPPEC-FYMRZPMTSA-N 1 2 374.485 2.132 20 30 FEEDLO O=C(C[N@H+]1CCN2C(=O)CC[C@@H]2C1)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000329071210 553875075 /nfs/dbraw/zinc/87/50/75/553875075.db2.gz YWGLOIDEGUPPEC-FYMRZPMTSA-N 1 2 374.485 2.132 20 30 FEEDLO Cc1ccc(-n2cccn2)cc1NC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000329130038 553885773 /nfs/dbraw/zinc/88/57/73/553885773.db2.gz ODDFZJCYRUYDLO-ZWKOTPCHSA-N 1 2 355.442 2.131 20 30 FEEDLO Cc1ccc(-n2cccn2)cc1NC(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000329130038 553885775 /nfs/dbraw/zinc/88/57/75/553885775.db2.gz ODDFZJCYRUYDLO-ZWKOTPCHSA-N 1 2 355.442 2.131 20 30 FEEDLO Cn1cc[nH+]c1[C@H](NC(=O)N1CC[C@H]([C@H]2CCOC2)C1)C1CCOCC1 ZINC000329201115 553901201 /nfs/dbraw/zinc/90/12/01/553901201.db2.gz BTJJAKJTHIAVEU-YESZJQIVSA-N 1 2 362.474 2.160 20 30 FEEDLO C[C@H]([C@H](C)NC(=O)N[C@@H]1CCC(=O)N[C@H]1C(C)(C)C)[NH+]1CCOCC1 ZINC000329225131 553905884 /nfs/dbraw/zinc/90/58/84/553905884.db2.gz FZHSAJTVGAGUEH-DSJMHWKBSA-N 1 2 354.495 2.133 20 30 FEEDLO CC(C)C[C@@H]1OCCC[C@@H]1NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000329227199 553906601 /nfs/dbraw/zinc/90/66/01/553906601.db2.gz HYYXUQDLIUJDMB-MHORFTMASA-N 1 2 353.507 2.289 20 30 FEEDLO CC1(C)COCC[N@@H+]1CCNC(=O)[C@@H]1CCCC[C@H]1C(=O)N1CCCC1 ZINC000329259701 553912788 /nfs/dbraw/zinc/91/27/88/553912788.db2.gz YTKXFKUPFPGJQI-IAGOWNOFSA-N 1 2 365.518 2.483 20 30 FEEDLO CC1(C)COCC[N@H+]1CCNC(=O)[C@@H]1CCCC[C@H]1C(=O)N1CCCC1 ZINC000329259701 553912789 /nfs/dbraw/zinc/91/27/89/553912789.db2.gz YTKXFKUPFPGJQI-IAGOWNOFSA-N 1 2 365.518 2.483 20 30 FEEDLO CC[C@@H]1CO[C@H](C)CN1C(=O)N[C@@H](c1[nH+]ccn1C)C1CCOCC1 ZINC000329268013 553914229 /nfs/dbraw/zinc/91/42/29/553914229.db2.gz DNALWCJVSIUFAE-FVQBIDKESA-N 1 2 350.463 2.301 20 30 FEEDLO C[N@@H+]1CCc2ncnc(Nc3cnn(CC(=O)NC4CCCC4)c3)c2C1 ZINC000329361870 553932774 /nfs/dbraw/zinc/93/27/74/553932774.db2.gz YSQZDFPMFDRYQT-UHFFFAOYSA-N 1 2 355.446 2.304 20 30 FEEDLO C[N@H+]1CCc2ncnc(Nc3cnn(CC(=O)NC4CCCC4)c3)c2C1 ZINC000329361870 553932776 /nfs/dbraw/zinc/93/27/76/553932776.db2.gz YSQZDFPMFDRYQT-UHFFFAOYSA-N 1 2 355.446 2.304 20 30 FEEDLO Cc1nc([C@H]2CCCN2C(=O)NC2CCN(c3cccc[nH+]3)CC2)no1 ZINC000329378425 553934714 /nfs/dbraw/zinc/93/47/14/553934714.db2.gz MOQPBWVOEQPSME-OAHLLOKOSA-N 1 2 356.430 2.493 20 30 FEEDLO Cn1c2ccc(NC(=O)C(=O)N3CCC(F)(C#N)CC3)cc2[nH+]c1C1CC1 ZINC000506618594 561703899 /nfs/dbraw/zinc/70/38/99/561703899.db2.gz AOXUEMYRVCKQKX-UHFFFAOYSA-N 1 2 369.400 2.243 20 30 FEEDLO Cc1cnc([C@H](C)CNC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)s1 ZINC000329432359 553945672 /nfs/dbraw/zinc/94/56/72/553945672.db2.gz IBTZQTMHHQLKOP-UMVBOHGHSA-N 1 2 352.504 2.264 20 30 FEEDLO CC(C)N(CC(=O)N1CCCCCC1)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000329546599 553965457 /nfs/dbraw/zinc/96/54/57/553965457.db2.gz OJQNYQPKUYIVFQ-MRXNPFEDSA-N 1 2 361.490 2.225 20 30 FEEDLO O=C(NCC[NH+]1CCN(C(=O)C2CCC2)CC1)C1(C2CC2)CCOCC1 ZINC000329619575 553977776 /nfs/dbraw/zinc/97/77/76/553977776.db2.gz MGDWAHRKWZEADR-UHFFFAOYSA-N 1 2 363.502 2.094 20 30 FEEDLO [O-]C(=[NH+]C[C@@H]1CCc2[nH+]ccn2C1)N1CCCN2c3ccccc3C[C@@H]2C1 ZINC000329637208 553980721 /nfs/dbraw/zinc/98/07/21/553980721.db2.gz YOEZWFIEBOECED-FUHWJXTLSA-N 1 2 365.481 2.497 20 30 FEEDLO Cn1cnc2c(c1=O)CC[N@H+](CC(=O)N[C@@H]1CCCc3ccccc31)C2 ZINC000329671732 553985742 /nfs/dbraw/zinc/98/57/42/553985742.db2.gz UFVSBGGPMMKRAA-QGZVFWFLSA-N 1 2 352.438 2.173 20 30 FEEDLO Cn1cnc2c(c1=O)CC[N@@H+](CC(=O)N[C@@H]1CCCc3ccccc31)C2 ZINC000329671732 553985743 /nfs/dbraw/zinc/98/57/43/553985743.db2.gz UFVSBGGPMMKRAA-QGZVFWFLSA-N 1 2 352.438 2.173 20 30 FEEDLO Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)cc1 ZINC000329701004 553991980 /nfs/dbraw/zinc/99/19/80/553991980.db2.gz HDUIILPKZORUGV-WCIQWLHISA-N 1 2 373.497 2.392 20 30 FEEDLO Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)cc1 ZINC000329701004 553991983 /nfs/dbraw/zinc/99/19/83/553991983.db2.gz HDUIILPKZORUGV-WCIQWLHISA-N 1 2 373.497 2.392 20 30 FEEDLO COc1ccc(NC(=O)[C@H](C)N2CC[C@@H]([NH+]3CCOCC3)C2)c(OC)c1 ZINC000329751179 553999837 /nfs/dbraw/zinc/99/98/37/553999837.db2.gz VLUYRHRARKWHBM-LSDHHAIUSA-N 1 2 363.458 2.087 20 30 FEEDLO CCC[C@@H]1C[C@@H]1NC(=O)N1CC[NH+](CC(=O)N2CCCC[C@H]2C)CC1 ZINC000329805924 554009153 /nfs/dbraw/zinc/00/91/53/554009153.db2.gz NKSOQJNILBUIOZ-ZACQAIPSSA-N 1 2 350.507 2.108 20 30 FEEDLO O=C(NCc1cn2c([nH+]1)CCCC2)N[C@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000329905229 554028530 /nfs/dbraw/zinc/02/85/30/554028530.db2.gz AOSXHDSDSQBVKH-INIZCTEOSA-N 1 2 373.501 2.404 20 30 FEEDLO C[C@H](NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C)c1nc(C2CCCCC2)no1 ZINC000329918482 554031735 /nfs/dbraw/zinc/03/17/35/554031735.db2.gz FZSIRECZALTLRW-CFVMTHIKSA-N 1 2 363.462 2.107 20 30 FEEDLO C[C@H](NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C)c1nc(C2CCCCC2)no1 ZINC000329918482 554031736 /nfs/dbraw/zinc/03/17/36/554031736.db2.gz FZSIRECZALTLRW-CFVMTHIKSA-N 1 2 363.462 2.107 20 30 FEEDLO Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1CNC(=O)NC[C@@]1(C)CCCS1 ZINC000329921833 554032284 /nfs/dbraw/zinc/03/22/84/554032284.db2.gz FYJWTBICRVAPGN-GRDNDAEWSA-N 1 2 369.510 2.122 20 30 FEEDLO CCC(=O)N1CC[C@H]([NH+]=C([O-])N[C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)C1 ZINC000329953871 554037993 /nfs/dbraw/zinc/03/79/93/554037993.db2.gz JQUPIGOIXPEXMZ-KBPBESRZSA-N 1 2 361.490 2.010 20 30 FEEDLO CCC(=O)N1CC[C@H](NC([O-])=[NH+][C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)C1 ZINC000329953871 554037996 /nfs/dbraw/zinc/03/79/96/554037996.db2.gz JQUPIGOIXPEXMZ-KBPBESRZSA-N 1 2 361.490 2.010 20 30 FEEDLO C[C@@H]1CN(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C[C@@H](CO)O1 ZINC000329960407 554039205 /nfs/dbraw/zinc/03/92/05/554039205.db2.gz RCNRDJBFRSGYJK-ZBFHGGJFSA-N 1 2 368.437 2.229 20 30 FEEDLO N#Cc1ccc(OC2CCN(C(=O)[C@H]3CCn4cc[nH+]c4C3)CC2)cc1 ZINC000329959056 554039376 /nfs/dbraw/zinc/03/93/76/554039376.db2.gz MXQHVTZFLYXAPH-INIZCTEOSA-N 1 2 350.422 2.387 20 30 FEEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)C3CCC(NC(=O)C4CCCC4)CC3)C[C@H]21 ZINC000329972090 554041840 /nfs/dbraw/zinc/04/18/40/554041840.db2.gz YWGQMWVHMBDDDL-OPQOLIRYSA-N 1 2 363.502 2.233 20 30 FEEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)C3CCC(NC(=O)C4CCCC4)CC3)C[C@H]21 ZINC000329972090 554041841 /nfs/dbraw/zinc/04/18/41/554041841.db2.gz YWGQMWVHMBDDDL-OPQOLIRYSA-N 1 2 363.502 2.233 20 30 FEEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)Nc3cccc(-c4noc(C5CC5)n4)c3)C[C@@H]21 ZINC000329984217 554043994 /nfs/dbraw/zinc/04/39/94/554043994.db2.gz QEPVXIKVIHSBHT-JKSUJKDBSA-N 1 2 369.425 2.174 20 30 FEEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)Nc3cccc(-c4noc(C5CC5)n4)c3)C[C@@H]21 ZINC000329984217 554043996 /nfs/dbraw/zinc/04/39/96/554043996.db2.gz QEPVXIKVIHSBHT-JKSUJKDBSA-N 1 2 369.425 2.174 20 30 FEEDLO Cn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)cn1 ZINC000330055807 554056094 /nfs/dbraw/zinc/05/60/94/554056094.db2.gz UWZFKTVECFKRSL-FMKPAKJESA-N 1 2 371.445 2.444 20 30 FEEDLO CC(=O)N(C)c1cccc(NC(=O)N[C@H]2CCO[C@@H](c3c[nH+]cn3C)C2)c1 ZINC000330360853 554111725 /nfs/dbraw/zinc/11/17/25/554111725.db2.gz XPZVQDZQTMVUDN-MAUKXSAKSA-N 1 2 371.441 2.458 20 30 FEEDLO C[C@@H]1CN(c2ccc(CNC(=O)NCC(C)(C)C(N)=O)c[nH+]2)C[C@@H](C)O1 ZINC000330398023 554116138 /nfs/dbraw/zinc/11/61/38/554116138.db2.gz SNIOILPKAKSGDX-CHWSQXEVSA-N 1 2 363.462 2.260 20 30 FEEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NCC[C@H](C)[S@@](C)=O)CC1 ZINC000330910705 554186978 /nfs/dbraw/zinc/18/69/78/554186978.db2.gz YKSDBJMMUSYOQA-QUVIJQCPSA-N 1 2 357.545 2.498 20 30 FEEDLO C=CCn1c(-c2ccc(C)c(F)c2)nnc1N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000508932511 561778715 /nfs/dbraw/zinc/77/87/15/561778715.db2.gz UFBFPGYLIYSGRB-KRWDZBQOSA-N 1 2 371.460 2.490 20 30 FEEDLO CCN(CC)C(=O)C1CC[NH+]([C@@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000331638367 554299725 /nfs/dbraw/zinc/29/97/25/554299725.db2.gz WWQRISPEDJPXLA-MRXNPFEDSA-N 1 2 374.510 2.305 20 30 FEEDLO CC(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000331956447 554352182 /nfs/dbraw/zinc/35/21/82/554352182.db2.gz RUDDBKMPXNMUNY-UXHICEINSA-N 1 2 370.497 2.447 20 30 FEEDLO Cc1ccnc2ccc(C(=O)N(CCC#N)CC[NH+]3CCOCC3)cc12 ZINC000509498658 561802382 /nfs/dbraw/zinc/80/23/82/561802382.db2.gz HEGPRSQSZBVLQR-UHFFFAOYSA-N 1 2 352.438 2.231 20 30 FEEDLO C[C@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000332067410 554373021 /nfs/dbraw/zinc/37/30/21/554373021.db2.gz SWBNFASMMLITGP-NTDBWNAOSA-N 1 2 369.513 2.405 20 30 FEEDLO N#Cc1cccc(NCC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000510030529 561822706 /nfs/dbraw/zinc/82/27/06/561822706.db2.gz QZNLZVRPXASASH-UHFFFAOYSA-N 1 2 350.422 2.441 20 30 FEEDLO N#CC1(F)CC[NH+](CC(=O)NCC2(c3ccccc3)CCOCC2)CC1 ZINC000510886823 561849730 /nfs/dbraw/zinc/84/97/30/561849730.db2.gz GHNXIEDRONLIAN-UHFFFAOYSA-N 1 2 359.445 2.179 20 30 FEEDLO CN(Cc1cn2c([nH+]1)CCCC2)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000334022140 554669517 /nfs/dbraw/zinc/66/95/17/554669517.db2.gz DKUXBSHUUPAOAO-HNNXBMFYSA-N 1 2 355.467 2.390 20 30 FEEDLO CC[N@@H+]1CCN(S(=O)(=O)c2cc(Br)cc(C#N)c2)[C@@H](C)C1 ZINC000511334557 561865611 /nfs/dbraw/zinc/86/56/11/561865611.db2.gz PYDMOMIGLTYYEA-NSHDSACASA-N 1 2 372.288 2.035 20 30 FEEDLO CC[N@H+]1CCN(S(=O)(=O)c2cc(Br)cc(C#N)c2)[C@@H](C)C1 ZINC000511334557 561865612 /nfs/dbraw/zinc/86/56/12/561865612.db2.gz PYDMOMIGLTYYEA-NSHDSACASA-N 1 2 372.288 2.035 20 30 FEEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CCCN(Cc2ccccc2F)CC1)C1CC1 ZINC000360157309 554865297 /nfs/dbraw/zinc/86/52/97/554865297.db2.gz HPPGYJDAZSAUSK-FQEVSTJZSA-N 1 2 358.461 2.142 20 30 FEEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CCCN(Cc2ccccc2F)CC1)C1CC1 ZINC000360157309 554865299 /nfs/dbraw/zinc/86/52/99/554865299.db2.gz HPPGYJDAZSAUSK-FQEVSTJZSA-N 1 2 358.461 2.142 20 30 FEEDLO Cn1cc[nH+]c1-c1cccc(CNC(=O)C(=O)Nc2ccc(C#N)cc2)c1 ZINC000361090278 554903895 /nfs/dbraw/zinc/90/38/95/554903895.db2.gz YVXCDOQCOAIYQQ-UHFFFAOYSA-N 1 2 359.389 2.214 20 30 FEEDLO COc1cc(C=CC(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)ccc1OCC#N ZINC000361277860 554913820 /nfs/dbraw/zinc/91/38/20/554913820.db2.gz GHUKNHCTVQKZSB-UFZAZABTSA-N 1 2 352.394 2.008 20 30 FEEDLO COc1cc(C=CC(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)ccc1OCC#N ZINC000361277860 554913822 /nfs/dbraw/zinc/91/38/22/554913822.db2.gz GHUKNHCTVQKZSB-UFZAZABTSA-N 1 2 352.394 2.008 20 30 FEEDLO CC(=O)Oc1ccc(C[N@@H+]2CCN(Cc3ccc(C#N)cc3)C(=O)C2)cc1 ZINC000363845465 555198199 /nfs/dbraw/zinc/19/81/99/555198199.db2.gz HQAPXZPSQITNMJ-UHFFFAOYSA-N 1 2 363.417 2.328 20 30 FEEDLO CC(=O)Oc1ccc(C[N@H+]2CCN(Cc3ccc(C#N)cc3)C(=O)C2)cc1 ZINC000363845465 555198200 /nfs/dbraw/zinc/19/82/00/555198200.db2.gz HQAPXZPSQITNMJ-UHFFFAOYSA-N 1 2 363.417 2.328 20 30 FEEDLO C=C[C@](C)(CCOC)C(=O)N1CCN(Cc2c(C)[nH+]c3n2CCCC3)CC1 ZINC000363857842 555200649 /nfs/dbraw/zinc/20/06/49/555200649.db2.gz SEIMEGMZMKNJNT-OAQYLSRUSA-N 1 2 374.529 2.401 20 30 FEEDLO CC[C@@H](C#N)Oc1cc(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)ccc1OC ZINC000364913108 555435252 /nfs/dbraw/zinc/43/52/52/555435252.db2.gz DRSAWEUEERDNMD-CVEARBPZSA-N 1 2 368.437 2.451 20 30 FEEDLO N#CCCN(CCC#N)C(=O)C[NH+]1CCC(C(=O)c2cccs2)CC1 ZINC000365784076 555667163 /nfs/dbraw/zinc/66/71/63/555667163.db2.gz DOSKJSHDPYWMNL-UHFFFAOYSA-N 1 2 358.467 2.299 20 30 FEEDLO CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1ccnn1C)c1c(C#N)cccc1C#N ZINC000366502492 555861878 /nfs/dbraw/zinc/86/18/78/555861878.db2.gz FLRKDDZXRXVAGM-WMZOPIPTSA-N 1 2 352.417 2.212 20 30 FEEDLO CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1ccnn1C)c1c(C#N)cccc1C#N ZINC000366502492 555861880 /nfs/dbraw/zinc/86/18/80/555861880.db2.gz FLRKDDZXRXVAGM-WMZOPIPTSA-N 1 2 352.417 2.212 20 30 FEEDLO C[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc(C#N)s2)[C@@H]1c1ccc(F)cc1 ZINC000366622348 555892737 /nfs/dbraw/zinc/89/27/37/555892737.db2.gz NGRFDQDNYNTYBS-ZBFHGGJFSA-N 1 2 365.455 2.483 20 30 FEEDLO C[N@H+]1CC[C@@H](NS(=O)(=O)c2ccc(C#N)s2)[C@@H]1c1ccc(F)cc1 ZINC000366622348 555892740 /nfs/dbraw/zinc/89/27/40/555892740.db2.gz NGRFDQDNYNTYBS-ZBFHGGJFSA-N 1 2 365.455 2.483 20 30 FEEDLO C[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(C#N)s2)[C@@H]1c1ccc(F)cc1 ZINC000366622347 555893027 /nfs/dbraw/zinc/89/30/27/555893027.db2.gz NGRFDQDNYNTYBS-HOCLYGCPSA-N 1 2 365.455 2.483 20 30 FEEDLO C[N@H+]1CC[C@H](NS(=O)(=O)c2ccc(C#N)s2)[C@@H]1c1ccc(F)cc1 ZINC000366622347 555893029 /nfs/dbraw/zinc/89/30/29/555893029.db2.gz NGRFDQDNYNTYBS-HOCLYGCPSA-N 1 2 365.455 2.483 20 30 FEEDLO C[C@H](C(=O)N1CCc2ccccc21)[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000515161996 561998622 /nfs/dbraw/zinc/99/86/22/561998622.db2.gz AMSPWZKCALTXEI-MRXNPFEDSA-N 1 2 361.449 2.053 20 30 FEEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CC[C@@H](O)c3ccccc3C2)c1 ZINC000368325197 556278916 /nfs/dbraw/zinc/27/89/16/556278916.db2.gz YHZPQYPLIHVMCQ-LJQANCHMSA-N 1 2 356.447 2.271 20 30 FEEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CC[C@@H](O)c3ccccc3C2)c1 ZINC000368325197 556278918 /nfs/dbraw/zinc/27/89/18/556278918.db2.gz YHZPQYPLIHVMCQ-LJQANCHMSA-N 1 2 356.447 2.271 20 30 FEEDLO C[C@@H]1CC[N@@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C[C@H]1C(=O)OC(C)(C)C ZINC000515350498 562006476 /nfs/dbraw/zinc/00/64/76/562006476.db2.gz OIFHAQJRRVJIPO-KBRIMQKVSA-N 1 2 357.454 2.384 20 30 FEEDLO C[C@@H]1CC[N@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C[C@H]1C(=O)OC(C)(C)C ZINC000515350498 562006477 /nfs/dbraw/zinc/00/64/77/562006477.db2.gz OIFHAQJRRVJIPO-KBRIMQKVSA-N 1 2 357.454 2.384 20 30 FEEDLO N#Cc1ccccc1Cn1nnc([C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000369257398 556552485 /nfs/dbraw/zinc/55/24/85/556552485.db2.gz ZUDYQBUZPOATRW-LJQANCHMSA-N 1 2 360.421 2.167 20 30 FEEDLO N#Cc1ccccc1Cn1nnc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000369257398 556552486 /nfs/dbraw/zinc/55/24/86/556552486.db2.gz ZUDYQBUZPOATRW-LJQANCHMSA-N 1 2 360.421 2.167 20 30 FEEDLO COc1ccc(C[N@@H+]2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)cc1C#N ZINC000369520828 556619016 /nfs/dbraw/zinc/61/90/16/556619016.db2.gz RPISFOQXVITKPW-IERDGZPVSA-N 1 2 358.401 2.412 20 30 FEEDLO COc1ccc(C[N@H+]2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)cc1C#N ZINC000369520828 556619020 /nfs/dbraw/zinc/61/90/20/556619020.db2.gz RPISFOQXVITKPW-IERDGZPVSA-N 1 2 358.401 2.412 20 30 FEEDLO C=CCC1(NC(=O)N[C@@H]2CCCN(Cc3[nH+]ccn3C)C2=O)CCCCC1 ZINC000516253320 562037478 /nfs/dbraw/zinc/03/74/78/562037478.db2.gz IEBJSUDSVWWOBL-MRXNPFEDSA-N 1 2 373.501 2.489 20 30 FEEDLO C#CCOc1ccccc1C[N@@H+]1CCn2c(CC(F)(F)F)nnc2C1 ZINC000369684562 556667963 /nfs/dbraw/zinc/66/79/63/556667963.db2.gz ZKZJRQVWBPVHKT-UHFFFAOYSA-N 1 2 350.344 2.411 20 30 FEEDLO C#CCOc1ccccc1C[N@H+]1CCn2c(CC(F)(F)F)nnc2C1 ZINC000369684562 556667965 /nfs/dbraw/zinc/66/79/65/556667965.db2.gz ZKZJRQVWBPVHKT-UHFFFAOYSA-N 1 2 350.344 2.411 20 30 FEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](C(=O)N2CCCCC2)C1 ZINC000370226760 556816168 /nfs/dbraw/zinc/81/61/68/556816168.db2.gz DOJMKSJALQLATM-MOPGFXCFSA-N 1 2 369.465 2.497 20 30 FEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](C(=O)N2CCCCC2)C1 ZINC000370226760 556816170 /nfs/dbraw/zinc/81/61/70/556816170.db2.gz DOJMKSJALQLATM-MOPGFXCFSA-N 1 2 369.465 2.497 20 30 FEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H]1[C@H]1CCCN1C(C)=O ZINC000370234755 556818197 /nfs/dbraw/zinc/81/81/97/556818197.db2.gz ADCNDVYVPXEZDO-QYZOEREBSA-N 1 2 355.438 2.248 20 30 FEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H]1[C@H]1CCCN1C(C)=O ZINC000370234755 556818199 /nfs/dbraw/zinc/81/81/99/556818199.db2.gz ADCNDVYVPXEZDO-QYZOEREBSA-N 1 2 355.438 2.248 20 30 FEEDLO N#CCCC1CCN(C(=O)NCc2ccc[nH+]c2N2CCOCC2)CC1 ZINC000516864219 562061209 /nfs/dbraw/zinc/06/12/09/562061209.db2.gz UNNJVQQRLGRTQM-UHFFFAOYSA-N 1 2 357.458 2.144 20 30 FEEDLO C[C@H](CC(=O)N1CSC[C@@H]1C(=O)Nc1ccc(C#N)cc1)n1cc[nH+]c1 ZINC000516930759 562065673 /nfs/dbraw/zinc/06/56/73/562065673.db2.gz ZMLZRJORDBHPQP-CZUORRHYSA-N 1 2 369.450 2.246 20 30 FEEDLO CC(C)(C)CC(=O)N1CC[C@H]2C[N@H+](CC(=O)Nc3ccc(C#N)cc3)C[C@H]21 ZINC000370794102 556970566 /nfs/dbraw/zinc/97/05/66/556970566.db2.gz ALRLOEZGCPZJER-FUHWJXTLSA-N 1 2 368.481 2.466 20 30 FEEDLO CC(C)(C)CC(=O)N1CC[C@H]2C[N@@H+](CC(=O)Nc3ccc(C#N)cc3)C[C@H]21 ZINC000370794102 556970570 /nfs/dbraw/zinc/97/05/70/556970570.db2.gz ALRLOEZGCPZJER-FUHWJXTLSA-N 1 2 368.481 2.466 20 30 FEEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)C(=O)Nc1cccc(C)c1C#N)CCC2 ZINC000370933796 557021660 /nfs/dbraw/zinc/02/16/60/557021660.db2.gz WMOBPJOTGCPRPS-CQSZACIVSA-N 1 2 351.410 2.004 20 30 FEEDLO CC(C)(C(N)=O)[NH+]1CCN(c2c(C#N)cnc3c(Cl)cccc32)CC1 ZINC000517134783 562076956 /nfs/dbraw/zinc/07/69/56/562076956.db2.gz NJHGQWAJVXGSII-UHFFFAOYSA-N 1 2 357.845 2.146 20 30 FEEDLO N#C[C@H]1CN(Cc2c[nH+]c3ccc(Br)cn23)CCN1C1CC1 ZINC000371325691 557147082 /nfs/dbraw/zinc/14/70/82/557147082.db2.gz FSIVWQUVZYESKA-AWEZNQCLSA-N 1 2 360.259 2.269 20 30 FEEDLO CC[C@H](C)[C@@H](NC(=O)N(CCC#N)CC[NH+]1CCOCC1)C(F)(F)F ZINC000517494817 562091239 /nfs/dbraw/zinc/09/12/39/562091239.db2.gz LYLADDDJUGADFQ-UONOGXRCSA-N 1 2 364.412 2.221 20 30 FEEDLO COc1cc(F)c(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)cc1OC ZINC000517574779 562092875 /nfs/dbraw/zinc/09/28/75/562092875.db2.gz IXNYAGIVVQGMSP-UHFFFAOYSA-N 1 2 356.401 2.432 20 30 FEEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CC[C@H](n2cncn2)C1 ZINC000372474829 557480348 /nfs/dbraw/zinc/48/03/48/557480348.db2.gz PVJSSIVFIIFBEW-GJZGRUSLSA-N 1 2 370.482 2.415 20 30 FEEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CC[C@H](n2cncn2)C1 ZINC000372474829 557480351 /nfs/dbraw/zinc/48/03/51/557480351.db2.gz PVJSSIVFIIFBEW-GJZGRUSLSA-N 1 2 370.482 2.415 20 30 FEEDLO CN(C)c1[nH+]cccc1CNC(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000372824996 557569980 /nfs/dbraw/zinc/56/99/80/557569980.db2.gz URYLWSMCEPXNJO-GOSISDBHSA-N 1 2 365.437 2.302 20 30 FEEDLO N#Cc1ccc(S(N)(=O)=O)cc1NCc1ccccc1-n1cc[nH+]c1 ZINC000373370609 557681221 /nfs/dbraw/zinc/68/12/21/557681221.db2.gz UYHGIGOFNCJGPJ-UHFFFAOYSA-N 1 2 353.407 2.003 20 30 FEEDLO CC(C)(C#N)c1ccc(C(=O)NC[C@]2([NH+]3CCOCC3)CCCOC2)cc1 ZINC000373544851 557715666 /nfs/dbraw/zinc/71/56/66/557715666.db2.gz GOUGLWDWDGZJPC-OAQYLSRUSA-N 1 2 371.481 2.099 20 30 FEEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000520572292 562159330 /nfs/dbraw/zinc/15/93/30/562159330.db2.gz SYHXWPDVMWNWRW-LLVKDONJSA-N 1 2 354.357 2.002 20 30 FEEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000520572292 562159331 /nfs/dbraw/zinc/15/93/31/562159331.db2.gz SYHXWPDVMWNWRW-LLVKDONJSA-N 1 2 354.357 2.002 20 30 FEEDLO COc1ccccc1[C@H]1CN(C(=O)Cc2cccc(OCC#N)c2)CC[NH2+]1 ZINC000374326819 557866242 /nfs/dbraw/zinc/86/62/42/557866242.db2.gz PTZAXTAMNUEEDR-LJQANCHMSA-N 1 2 365.433 2.313 20 30 FEEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@@H](c2nc(N(C)C)no2)C1 ZINC000374566332 557900564 /nfs/dbraw/zinc/90/05/64/557900564.db2.gz OGCRTJUEWPIIDJ-DZGCQCFKSA-N 1 2 368.441 2.214 20 30 FEEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@@H](c2nc(N(C)C)no2)C1 ZINC000374566332 557900566 /nfs/dbraw/zinc/90/05/66/557900566.db2.gz OGCRTJUEWPIIDJ-DZGCQCFKSA-N 1 2 368.441 2.214 20 30 FEEDLO N#Cc1ccc(CN2CC[N@@H+](CCCO[C@@H]3CCCCO3)CC2=O)cc1 ZINC000374884579 557945700 /nfs/dbraw/zinc/94/57/00/557945700.db2.gz ZCEWHPGBRXRBFJ-HXUWFJFHSA-N 1 2 357.454 2.136 20 30 FEEDLO N#Cc1ccc(CN2CC[N@H+](CCCO[C@@H]3CCCCO3)CC2=O)cc1 ZINC000374884579 557945701 /nfs/dbraw/zinc/94/57/01/557945701.db2.gz ZCEWHPGBRXRBFJ-HXUWFJFHSA-N 1 2 357.454 2.136 20 30 FEEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@]2(CNC(=O)O2)C1 ZINC000375571426 558050440 /nfs/dbraw/zinc/05/04/40/558050440.db2.gz LYASVKSYQGINSJ-SFHVURJKSA-N 1 2 361.467 2.478 20 30 FEEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@]2(CNC(=O)O2)C1 ZINC000375571426 558050441 /nfs/dbraw/zinc/05/04/41/558050441.db2.gz LYASVKSYQGINSJ-SFHVURJKSA-N 1 2 361.467 2.478 20 30 FEEDLO C=CCOc1ccc(CNC(=O)C2(N3CC[NH+](C)CC3)CCCC2)cc1 ZINC000376012333 558113678 /nfs/dbraw/zinc/11/36/78/558113678.db2.gz FIRXWHOSOMOCEK-UHFFFAOYSA-N 1 2 357.498 2.428 20 30 FEEDLO C#CC[C@H](Cc1ccccc1)NC(=O)C1(N2CC[NH+](C)CC2)CCCC1 ZINC000376204540 558140834 /nfs/dbraw/zinc/14/08/34/558140834.db2.gz CRVYLJYIHBNZFA-HXUWFJFHSA-N 1 2 353.510 2.297 20 30 FEEDLO COc1cc2c(cc1OC)[C@@H](c1cccs1)[N@H+](CC(=O)NCC#N)CC2 ZINC000521785788 562183462 /nfs/dbraw/zinc/18/34/62/562183462.db2.gz SDKDUFZSWAUOTI-IBGZPJMESA-N 1 2 371.462 2.353 20 30 FEEDLO COc1cc2c(cc1OC)[C@@H](c1cccs1)[N@@H+](CC(=O)NCC#N)CC2 ZINC000521785788 562183463 /nfs/dbraw/zinc/18/34/63/562183463.db2.gz SDKDUFZSWAUOTI-IBGZPJMESA-N 1 2 371.462 2.353 20 30 FEEDLO C#CCC(C)(C)C(=O)N1CC[NH+]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000377129260 558272537 /nfs/dbraw/zinc/27/25/37/558272537.db2.gz NFKWGUZLBRQWEG-MRXNPFEDSA-N 1 2 363.502 2.190 20 30 FEEDLO Cn1cc(C[NH+]2CCN(c3nc(C(F)(F)F)ccc3C#N)CC2)cn1 ZINC000522408154 562198149 /nfs/dbraw/zinc/19/81/49/562198149.db2.gz MHWDCMYBHZMJTG-UHFFFAOYSA-N 1 2 350.348 2.028 20 30 FEEDLO COC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000377710264 558403058 /nfs/dbraw/zinc/40/30/58/558403058.db2.gz WOXGEUYBJZZKMB-HNNXBMFYSA-N 1 2 352.316 2.133 20 30 FEEDLO COC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000377710264 558403060 /nfs/dbraw/zinc/40/30/60/558403060.db2.gz WOXGEUYBJZZKMB-HNNXBMFYSA-N 1 2 352.316 2.133 20 30 FEEDLO N#Cc1ccccc1N1CCCN(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000378115491 558484765 /nfs/dbraw/zinc/48/47/65/558484765.db2.gz SIAYOKSGFHSZHL-MRXNPFEDSA-N 1 2 364.453 2.061 20 30 FEEDLO N#Cc1ccccc1N1CCCN(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000378115491 558484766 /nfs/dbraw/zinc/48/47/66/558484766.db2.gz SIAYOKSGFHSZHL-MRXNPFEDSA-N 1 2 364.453 2.061 20 30 FEEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)NCc1ccc(OCC#N)cc1)CCC2 ZINC000378248218 558510912 /nfs/dbraw/zinc/51/09/12/558510912.db2.gz DEHOMWXVWSKZRG-MRXNPFEDSA-N 1 2 353.426 2.471 20 30 FEEDLO COc1ccccc1[C@H](CNS(=O)(=O)c1cc(C#N)ccc1C)[NH+](C)C ZINC000524450770 562228847 /nfs/dbraw/zinc/22/88/47/562228847.db2.gz DKJHGCQOIBXROJ-KRWDZBQOSA-N 1 2 373.478 2.457 20 30 FEEDLO C=CCN1CC[C@H]([NH+]2CCN(CCOc3ccccc3Cl)CC2)C1=O ZINC000410307082 558750711 /nfs/dbraw/zinc/75/07/11/558750711.db2.gz PJYWVOVMXOIMAW-KRWDZBQOSA-N 1 2 363.889 2.123 20 30 FEEDLO C=CCN1CC[C@H](N2CC[NH+](CCOc3ccccc3Cl)CC2)C1=O ZINC000410307082 558750713 /nfs/dbraw/zinc/75/07/13/558750713.db2.gz PJYWVOVMXOIMAW-KRWDZBQOSA-N 1 2 363.889 2.123 20 30 FEEDLO N#Cc1ccnc(N2CC[NH+]([C@H]3CCN(c4ccc(F)cc4)C3=O)CC2)c1 ZINC000411168968 558847773 /nfs/dbraw/zinc/84/77/73/558847773.db2.gz RLZFVLIDKFXNIW-SFHVURJKSA-N 1 2 365.412 2.020 20 30 FEEDLO N#Cc1ccc(OC2CCN(C(=O)N[C@@H]3CCn4cc[nH+]c4C3)CC2)cc1 ZINC000525982676 562262336 /nfs/dbraw/zinc/26/23/36/562262336.db2.gz TUTASZQQVYIJOY-MRXNPFEDSA-N 1 2 365.437 2.323 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CC[C@]2(C1)CC(=O)c1ccccc1O2 ZINC000411977762 558998687 /nfs/dbraw/zinc/99/86/87/558998687.db2.gz GMUZIMJZRVLFNV-VQTJNVASSA-N 1 2 355.438 2.151 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CC[C@]2(C1)CC(=O)c1ccccc1O2 ZINC000411977762 558998689 /nfs/dbraw/zinc/99/86/89/558998689.db2.gz GMUZIMJZRVLFNV-VQTJNVASSA-N 1 2 355.438 2.151 20 30 FEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](N2CCCC2=O)CC1 ZINC000412052646 559006898 /nfs/dbraw/zinc/00/68/98/559006898.db2.gz CXJSHGIIILJAOP-MJGOQNOKSA-N 1 2 355.438 2.249 20 30 FEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](N2CCCC2=O)CC1 ZINC000412052646 559006900 /nfs/dbraw/zinc/00/69/00/559006900.db2.gz CXJSHGIIILJAOP-MJGOQNOKSA-N 1 2 355.438 2.249 20 30 FEEDLO Cc1cc(NCC[NH+]2CCN(C(=O)C3CCC3)CC2)c(C#N)cc1[N+](=O)[O-] ZINC000413147054 559082897 /nfs/dbraw/zinc/08/28/97/559082897.db2.gz YLMGPLXIIZOUBA-UHFFFAOYSA-N 1 2 371.441 2.131 20 30 FEEDLO COC1([C@H](C)NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCC1 ZINC000413801713 559131472 /nfs/dbraw/zinc/13/14/72/559131472.db2.gz SRYDCPVHRUWZRF-INIZCTEOSA-N 1 2 356.470 2.343 20 30 FEEDLO C[N@H+](CCC#N)C[C@@H](O)Cn1nc2c3c1cccc3C(=O)c1ccccc1-2 ZINC000414117322 559149931 /nfs/dbraw/zinc/14/99/31/559149931.db2.gz ZEDHSDFGPBFRPA-CQSZACIVSA-N 1 2 360.417 2.454 20 30 FEEDLO C[N@@H+](CCC#N)C[C@@H](O)Cn1nc2c3c1cccc3C(=O)c1ccccc1-2 ZINC000414117322 559149932 /nfs/dbraw/zinc/14/99/32/559149932.db2.gz ZEDHSDFGPBFRPA-CQSZACIVSA-N 1 2 360.417 2.454 20 30 FEEDLO C[C@@H](CNS(=O)(=O)c1ccc(CC#N)cc1Cl)Cn1cc[nH+]c1 ZINC000414455499 559164864 /nfs/dbraw/zinc/16/48/64/559164864.db2.gz HMZPZHSPUGHVHY-LBPRGKRZSA-N 1 2 352.847 2.217 20 30 FEEDLO C[C@H](C#N)S(=O)(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000416372030 559308120 /nfs/dbraw/zinc/30/81/20/559308120.db2.gz NKWRNDURAPIABK-RISCZKNCSA-N 1 2 359.854 2.447 20 30 FEEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000420953409 559513776 /nfs/dbraw/zinc/51/37/76/559513776.db2.gz ZMJXENUZFHJFMN-GJZGRUSLSA-N 1 2 352.500 2.123 20 30 FEEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000420953409 559513777 /nfs/dbraw/zinc/51/37/77/559513777.db2.gz ZMJXENUZFHJFMN-GJZGRUSLSA-N 1 2 352.500 2.123 20 30 FEEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000422535734 559593599 /nfs/dbraw/zinc/59/35/99/559593599.db2.gz CEVBKFYZKSXRMU-SFHVURJKSA-N 1 2 366.465 2.419 20 30 FEEDLO Cc1cc(N[C@@H]2CCN([C@@H](C(=O)OC(C)(C)C)C(C)C)C2=O)c(C#N)c[nH+]1 ZINC000425260408 559693996 /nfs/dbraw/zinc/69/39/96/559693996.db2.gz XDDYKNPTCRCHQV-NVXWUHKLSA-N 1 2 372.469 2.063 20 30 FEEDLO COC(=O)c1cnc([C@H](C)[NH2+][C@@H](C)C(=O)NC2(C#N)CCCCC2)s1 ZINC000425479674 559704482 /nfs/dbraw/zinc/70/44/82/559704482.db2.gz DNKSIQRHUZBAAS-RYUDHWBXSA-N 1 2 364.471 2.311 20 30 FEEDLO COC(=O)c1cnc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2C#N)s1 ZINC000425481837 559704641 /nfs/dbraw/zinc/70/46/41/559704641.db2.gz GKMPCJIFUYHMOH-QWRGUYRKSA-N 1 2 358.423 2.479 20 30 FEEDLO C[C@H](c1cccc(C#N)c1)[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000425536643 559708353 /nfs/dbraw/zinc/70/83/53/559708353.db2.gz PAUYGWCXUJYXBN-CQSZACIVSA-N 1 2 354.435 2.292 20 30 FEEDLO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000425536643 559708354 /nfs/dbraw/zinc/70/83/54/559708354.db2.gz PAUYGWCXUJYXBN-CQSZACIVSA-N 1 2 354.435 2.292 20 30 FEEDLO Cn1cc[nH+]c1CN1CCN(C(=O)Nc2ccc(C#N)cc2Cl)CC1 ZINC000426129890 559730039 /nfs/dbraw/zinc/73/00/39/559730039.db2.gz TZRQTNZEDKBGNM-UHFFFAOYSA-N 1 2 358.833 2.295 20 30 FEEDLO N#Cc1ccc([C@@H]([NH2+][C@H]2CCN(c3cccc(Cl)c3)C2=O)C(N)=O)cc1 ZINC000426175658 559731093 /nfs/dbraw/zinc/73/10/93/559731093.db2.gz IUPAPQZSOVLRHS-DLBZAZTESA-N 1 2 368.824 2.133 20 30 FEEDLO Cn1cc(-c2c[nH]cc2C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cn1 ZINC000426585628 559738341 /nfs/dbraw/zinc/73/83/41/559738341.db2.gz GELDXUPUWVFAKW-UHFFFAOYSA-N 1 2 374.448 2.245 20 30 FEEDLO N#Cc1ccnc(NCC[NH+]2CCN(c3ccc(F)cc3)CC2)c1Cl ZINC000429210057 559793084 /nfs/dbraw/zinc/79/30/84/559793084.db2.gz RNETUHUFXQHGFK-UHFFFAOYSA-N 1 2 359.836 2.980 20 30 FEEDLO COc1cc[nH+]cc1CNS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000431578592 559841873 /nfs/dbraw/zinc/84/18/73/559841873.db2.gz MTVRMWIMGXJPGR-UHFFFAOYSA-N 1 2 371.340 2.459 20 30 FEEDLO N#CCCC[C@@H](NS(=O)(=O)CCC[NH+]1CCOCC1)c1ccccc1 ZINC000431628566 559842789 /nfs/dbraw/zinc/84/27/89/559842789.db2.gz RDEQSQTXKRWURL-GOSISDBHSA-N 1 2 365.499 2.063 20 30 FEEDLO CC(=O)c1ccc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)[nH]1 ZINC000431677537 559843893 /nfs/dbraw/zinc/84/38/93/559843893.db2.gz DHIMZMCAFWSYQZ-UHFFFAOYSA-N 1 2 350.422 2.437 20 30 FEEDLO CC(=O)c1ccc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)[nH]1 ZINC000431677537 559843894 /nfs/dbraw/zinc/84/38/94/559843894.db2.gz DHIMZMCAFWSYQZ-UHFFFAOYSA-N 1 2 350.422 2.437 20 30 FEEDLO N#CC1(NC(=O)C[N@H+]2CC[C@@H](Oc3ccc(C(F)(F)F)cn3)C2)CCC1 ZINC000527377792 562287242 /nfs/dbraw/zinc/28/72/42/562287242.db2.gz FKFVTBBNVDFODR-CYBMUJFWSA-N 1 2 368.359 2.116 20 30 FEEDLO N#CC1(NC(=O)C[N@@H+]2CC[C@@H](Oc3ccc(C(F)(F)F)cn3)C2)CCC1 ZINC000527377792 562287243 /nfs/dbraw/zinc/28/72/43/562287243.db2.gz FKFVTBBNVDFODR-CYBMUJFWSA-N 1 2 368.359 2.116 20 30 FEEDLO C=CC[C@@H](CC)NC(=O)C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000440265024 560007679 /nfs/dbraw/zinc/00/76/79/560007679.db2.gz AHCRMDMOGGAOSK-NVXWUHKLSA-N 1 2 359.470 2.489 20 30 FEEDLO N#Cc1cccc(-c2nnc(C[NH2+][C@@]3(CO)CCOc4ccccc43)o2)c1 ZINC000440480418 560011867 /nfs/dbraw/zinc/01/18/67/560011867.db2.gz JZKOVPDFJQCMOI-HXUWFJFHSA-N 1 2 362.389 2.368 20 30 FEEDLO CC[C@@H](NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)c1[nH]cc[nH+]1 ZINC000443111574 560071184 /nfs/dbraw/zinc/07/11/84/560071184.db2.gz QZEASOPNWXLQSU-OAHLLOKOSA-N 1 2 360.439 2.368 20 30 FEEDLO N#CCCn1cc(C(=O)NCc2c[nH+]c[nH]2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000443537878 560086677 /nfs/dbraw/zinc/08/66/77/560086677.db2.gz KHSWTXLPEBNWLF-UHFFFAOYSA-N 1 2 365.353 2.025 20 30 FEEDLO N#CCCn1cc(C(=O)NCc2c[nH]c[nH+]2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000443537878 560086678 /nfs/dbraw/zinc/08/66/78/560086678.db2.gz KHSWTXLPEBNWLF-UHFFFAOYSA-N 1 2 365.353 2.025 20 30 FEEDLO C[C@H]1C[C@]1(C#N)C(=O)N1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000448809531 560200384 /nfs/dbraw/zinc/20/03/84/560200384.db2.gz JGWINKFESWQAKE-SCLBCKFNSA-N 1 2 357.845 2.182 20 30 FEEDLO Cn1c(C#N)ccc1C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000450315370 560258290 /nfs/dbraw/zinc/25/82/90/560258290.db2.gz CVMPQLNJKZXHAY-QZTJIDSGSA-N 1 2 372.856 2.352 20 30 FEEDLO Cn1c(C#N)ccc1C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000450315370 560258291 /nfs/dbraw/zinc/25/82/91/560258291.db2.gz CVMPQLNJKZXHAY-QZTJIDSGSA-N 1 2 372.856 2.352 20 30 FEEDLO CCO[C@@H]1CC[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C[C@H]1C ZINC000451545268 560313664 /nfs/dbraw/zinc/31/36/64/560313664.db2.gz QXCJJXOTSBVANK-CRAIPNDOSA-N 1 2 367.453 2.429 20 30 FEEDLO CCO[C@@H]1CC[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C[C@H]1C ZINC000451545268 560313665 /nfs/dbraw/zinc/31/36/65/560313665.db2.gz QXCJJXOTSBVANK-CRAIPNDOSA-N 1 2 367.453 2.429 20 30 FEEDLO CN(C)C(=O)N[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000451989151 560342854 /nfs/dbraw/zinc/34/28/54/560342854.db2.gz HVFKURKSQUQSAZ-AWEZNQCLSA-N 1 2 352.385 2.395 20 30 FEEDLO CN(C)C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000451989151 560342855 /nfs/dbraw/zinc/34/28/55/560342855.db2.gz HVFKURKSQUQSAZ-AWEZNQCLSA-N 1 2 352.385 2.395 20 30 FEEDLO CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cc(C)cc(C#N)c2)c[nH+]1 ZINC000453570806 560388985 /nfs/dbraw/zinc/38/89/85/560388985.db2.gz KZNHGGKUAACXCQ-UHFFFAOYSA-N 1 2 365.437 2.363 20 30 FEEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)C(=O)Nc1cc(C#N)ccc1OC(C)C ZINC000453961473 560417049 /nfs/dbraw/zinc/41/70/49/560417049.db2.gz GQYZSECHENTMRW-CYBMUJFWSA-N 1 2 369.425 2.378 20 30 FEEDLO CCOC1CC(CNC(=O)Nc2cccc(CC#N)c2)([NH+]2CCOCC2)C1 ZINC000455900976 560499681 /nfs/dbraw/zinc/49/96/81/560499681.db2.gz DBQLKKPRLRTZOF-UHFFFAOYSA-N 1 2 372.469 2.144 20 30 FEEDLO C[C@H](CC#N)NC(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000455960195 560502238 /nfs/dbraw/zinc/50/22/38/560502238.db2.gz WHYVBGGWUJBNTN-SNVBAGLBSA-N 1 2 368.235 2.104 20 30 FEEDLO N#Cc1cccc(OCCCCC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000456212694 560511518 /nfs/dbraw/zinc/51/15/18/560511518.db2.gz HGHBCQWVURCSJZ-KDURUIRLSA-N 1 2 357.454 2.087 20 30 FEEDLO N#Cc1cccc(OCCCCC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000456212694 560511519 /nfs/dbraw/zinc/51/15/19/560511519.db2.gz HGHBCQWVURCSJZ-KDURUIRLSA-N 1 2 357.454 2.087 20 30 FEEDLO Cc1onc(CC(=O)Nc2ccc3c(c2)[nH+]c(C)n3[C@@H](C)CO)c1C#N ZINC000456695742 560529371 /nfs/dbraw/zinc/52/93/71/560529371.db2.gz CJBJNFPIJHIFPK-JTQLQIEISA-N 1 2 353.382 2.247 20 30 FEEDLO N#Cc1cccc(F)c1CC(=O)N(CC[NH+]1CCOCC1)Cc1ccco1 ZINC000456987912 560542367 /nfs/dbraw/zinc/54/23/67/560542367.db2.gz KAQQSGRHASWZKC-UHFFFAOYSA-N 1 2 371.412 2.194 20 30 FEEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 ZINC000459050117 560663826 /nfs/dbraw/zinc/66/38/26/560663826.db2.gz DVGYWYWHBQFIAW-SJLPKXTDSA-N 1 2 366.469 2.384 20 30 FEEDLO CN(c1cccnn1)C1CC[NH+](Cc2c(C#N)cccc2[N+](=O)[O-])CC1 ZINC000459342275 560680923 /nfs/dbraw/zinc/68/09/23/560680923.db2.gz XDRLHUAMGRPNRK-UHFFFAOYSA-N 1 2 352.398 2.357 20 30 FEEDLO C[C@@H]1CN(Cc2c(C#N)cccc2[N+](=O)[O-])CC[N@H+]1C1CC[NH+](C)CC1 ZINC000459376169 560683181 /nfs/dbraw/zinc/68/31/81/560683181.db2.gz QZDMPTPHUJDQIJ-OAHLLOKOSA-N 1 2 357.458 2.067 20 30 FEEDLO COc1ccc(C#N)cc1C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000459512217 560690997 /nfs/dbraw/zinc/69/09/97/560690997.db2.gz PXONFPQLNDNQDH-UHFFFAOYSA-N 1 2 353.382 2.192 20 30 FEEDLO COCCCOC1C[NH+](Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000459593286 560696648 /nfs/dbraw/zinc/69/66/48/560696648.db2.gz OFHPQYZWLXWIGQ-UHFFFAOYSA-N 1 2 355.442 2.096 20 30 FEEDLO CC(C)C[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)Cc1cnn(C)c1 ZINC000459597533 560696904 /nfs/dbraw/zinc/69/69/04/560696904.db2.gz QLOKBFKPVPJAHL-UHFFFAOYSA-N 1 2 360.483 2.224 20 30 FEEDLO CC(C)C[N@@H+](CCS(=O)(=O)c1cccc(C#N)c1)Cc1cnn(C)c1 ZINC000459597533 560696905 /nfs/dbraw/zinc/69/69/05/560696905.db2.gz QLOKBFKPVPJAHL-UHFFFAOYSA-N 1 2 360.483 2.224 20 30 FEEDLO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CCn2cc[nH+]c2C1 ZINC000459867888 560714973 /nfs/dbraw/zinc/71/49/73/560714973.db2.gz WXQFKEYVDYMMOG-UHFFFAOYSA-N 1 2 364.858 2.155 20 30 FEEDLO C=CCN(Cc1cccs1)C(=O)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000459868452 560715001 /nfs/dbraw/zinc/71/50/01/560715001.db2.gz NJECSPQHCKSQOX-UHFFFAOYSA-N 1 2 358.467 2.392 20 30 FEEDLO C=CCN(Cc1cccs1)C(=O)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000459868452 560715002 /nfs/dbraw/zinc/71/50/02/560715002.db2.gz NJECSPQHCKSQOX-UHFFFAOYSA-N 1 2 358.467 2.392 20 30 FEEDLO C=CCN(Cc1ccccc1)C(=O)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000459994960 560727348 /nfs/dbraw/zinc/72/73/48/560727348.db2.gz XVLPCZNAROGPAZ-KRWDZBQOSA-N 1 2 352.438 2.331 20 30 FEEDLO COC(=O)[C@@H]1C[C@H](C2CCCCC2)C[N@@H+]1CC(=O)N[C@@](C)(C#N)C(C)C ZINC000464817572 560852161 /nfs/dbraw/zinc/85/21/61/560852161.db2.gz HCFKZNOZEYUIIR-ZWOKBUDYSA-N 1 2 363.502 2.485 20 30 FEEDLO COC(=O)[C@@H]1C[C@H](C2CCCCC2)C[N@H+]1CC(=O)N[C@@](C)(C#N)C(C)C ZINC000464817572 560852163 /nfs/dbraw/zinc/85/21/63/560852163.db2.gz HCFKZNOZEYUIIR-ZWOKBUDYSA-N 1 2 363.502 2.485 20 30 FEEDLO Cc1ccc2[nH+]c(CSCC(=O)NCC3CCN(CC#N)CC3)cn2c1 ZINC000464973292 560856140 /nfs/dbraw/zinc/85/61/40/560856140.db2.gz PRACTVXYEOVLNM-UHFFFAOYSA-N 1 2 371.510 2.228 20 30 FEEDLO C=CCOCCC[NH+]1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1 ZINC000470723794 560988191 /nfs/dbraw/zinc/98/81/91/560988191.db2.gz RQQAYASAUACDIQ-UHFFFAOYSA-N 1 2 352.500 2.202 20 30 FEEDLO C=CCN(CC=C)C(=O)C[NH+]1CCN(Cc2cc(OC)cc(OC)c2)CC1 ZINC000475727224 561103461 /nfs/dbraw/zinc/10/34/61/561103461.db2.gz NANOWRHXRVSICD-UHFFFAOYSA-N 1 2 373.497 2.022 20 30 FEEDLO C=CCN(CC=C)C(=O)CN1CC[NH+](Cc2cc(OC)cc(OC)c2)CC1 ZINC000475727224 561103462 /nfs/dbraw/zinc/10/34/62/561103462.db2.gz NANOWRHXRVSICD-UHFFFAOYSA-N 1 2 373.497 2.022 20 30 FEEDLO N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCO[C@@H](COc2ccccc2)C1 ZINC000528476966 562331436 /nfs/dbraw/zinc/33/14/36/562331436.db2.gz OEMAKXYRZWCGSB-AZUAARDMSA-N 1 2 368.433 2.078 20 30 FEEDLO N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CCO[C@@H](COc2ccccc2)C1 ZINC000528476966 562331437 /nfs/dbraw/zinc/33/14/37/562331437.db2.gz OEMAKXYRZWCGSB-AZUAARDMSA-N 1 2 368.433 2.078 20 30 FEEDLO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCNC(=O)[C@@H]1CC1CCCCC1 ZINC000528526000 562333986 /nfs/dbraw/zinc/33/39/86/562333986.db2.gz HTLDENPJJXCNPK-MOPGFXCFSA-N 1 2 371.481 2.069 20 30 FEEDLO N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCNC(=O)[C@@H]1CC1CCCCC1 ZINC000528526000 562333987 /nfs/dbraw/zinc/33/39/87/562333987.db2.gz HTLDENPJJXCNPK-MOPGFXCFSA-N 1 2 371.481 2.069 20 30 FEEDLO N#Cc1ccc(-c2nnc(C[NH2+][C@]3(CO)COc4ccccc4C3)o2)cc1 ZINC000528650132 562340368 /nfs/dbraw/zinc/34/03/68/562340368.db2.gz JUBYEEYUMYYIAK-HXUWFJFHSA-N 1 2 362.389 2.064 20 30 FEEDLO C[N@@H+]1CC[C@@H](NC(=O)Cc2ccc(C#N)nc2)[C@H]1c1ccc(F)c(F)c1 ZINC000528930605 562353397 /nfs/dbraw/zinc/35/33/97/562353397.db2.gz INHWYVYQFAFOIW-IEBWSBKVSA-N 1 2 356.376 2.336 20 30 FEEDLO C[N@H+]1CC[C@@H](NC(=O)Cc2ccc(C#N)nc2)[C@H]1c1ccc(F)c(F)c1 ZINC000528930605 562353398 /nfs/dbraw/zinc/35/33/98/562353398.db2.gz INHWYVYQFAFOIW-IEBWSBKVSA-N 1 2 356.376 2.336 20 30 FEEDLO N#Cc1ccc(C2(NC(=O)[C@@H]3CCc4c[nH+]cn4C3)CCOCC2)cc1 ZINC000530059272 562396383 /nfs/dbraw/zinc/39/63/83/562396383.db2.gz CMNBTDWLUVUANG-MRXNPFEDSA-N 1 2 350.422 2.139 20 30 FEEDLO Cc1nn(C)c(N2CCN(c3cc(C(F)(F)F)cc[nH+]3)CC2)c1C#N ZINC000530464613 562412209 /nfs/dbraw/zinc/41/22/09/562412209.db2.gz ABTHHACQAYZLRT-UHFFFAOYSA-N 1 2 350.348 2.341 20 30 FEEDLO C=C(C)CN(CC)C(=O)C[S@@](=O)Cc1[nH+]ccn1CC(F)(F)F ZINC000530633669 562418510 /nfs/dbraw/zinc/41/85/10/562418510.db2.gz OEICGDYCTXZRMK-QHCPKHFHSA-N 1 2 351.394 2.119 20 30 FEEDLO N#Cc1ccc(CNC(=O)C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)cc1 ZINC000534513766 562535519 /nfs/dbraw/zinc/53/55/19/562535519.db2.gz VZTUQROROLFXRA-UHFFFAOYSA-N 1 2 350.378 2.141 20 30 FEEDLO N#Cc1ccc(CNC(=O)C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)cc1 ZINC000534513766 562535520 /nfs/dbraw/zinc/53/55/20/562535520.db2.gz VZTUQROROLFXRA-UHFFFAOYSA-N 1 2 350.378 2.141 20 30 FEEDLO C=CCSCCNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000549895253 562640977 /nfs/dbraw/zinc/64/09/77/562640977.db2.gz CPPBAENQPYNEIL-INIZCTEOSA-N 1 2 364.515 2.053 20 30 FEEDLO C=CCSCCNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000549895253 562640978 /nfs/dbraw/zinc/64/09/78/562640978.db2.gz CPPBAENQPYNEIL-INIZCTEOSA-N 1 2 364.515 2.053 20 30 FEEDLO CCc1c[nH]c(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)[nH+]1 ZINC000602043736 567911001 /nfs/dbraw/zinc/91/10/01/567911001.db2.gz TXHGKMIGPVWCAZ-QGZVFWFLSA-N 1 2 355.417 2.063 20 30 FEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC000602331910 567969282 /nfs/dbraw/zinc/96/92/82/567969282.db2.gz ICYRNABKEWSUMW-XNRPHZJLSA-N 1 2 355.360 2.129 20 30 FEEDLO N#C[C@@H](c1ccccc1)N1CCN(Cc2cc3c(c[nH+]2)OCCO3)CC1 ZINC000602425915 567979086 /nfs/dbraw/zinc/97/90/86/567979086.db2.gz YHOBOFVHGRKDLY-SFHVURJKSA-N 1 2 350.422 2.235 20 30 FEEDLO C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602854616 568002122 /nfs/dbraw/zinc/00/21/22/568002122.db2.gz CGYZOHSKBSZIGY-RHMVTDPCSA-N 1 2 358.530 2.378 20 30 FEEDLO C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602854616 568002123 /nfs/dbraw/zinc/00/21/23/568002123.db2.gz CGYZOHSKBSZIGY-RHMVTDPCSA-N 1 2 358.530 2.378 20 30 FEEDLO C[C@@H]1C[NH+](CC(=O)Nc2ccccc2OC(F)F)C[C@@H](C)N1CC#N ZINC000602857443 568002744 /nfs/dbraw/zinc/00/27/44/568002744.db2.gz RIXZUKQFVSAKKK-CHWSQXEVSA-N 1 2 352.385 2.145 20 30 FEEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602858991 568003077 /nfs/dbraw/zinc/00/30/77/568003077.db2.gz DMLQGYSFQCLHAW-PBIMCDDKSA-N 1 2 359.518 2.224 20 30 FEEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602858991 568003078 /nfs/dbraw/zinc/00/30/78/568003078.db2.gz DMLQGYSFQCLHAW-PBIMCDDKSA-N 1 2 359.518 2.224 20 30 FEEDLO C=CCNC(=O)NC(=O)C[N@H+]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000604276128 568239825 /nfs/dbraw/zinc/23/98/25/568239825.db2.gz GFKMCWXOCZKJPX-DTORHVGOSA-N 1 2 361.286 2.061 20 30 FEEDLO C=CCNC(=O)NC(=O)C[N@@H+]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000604276128 568239826 /nfs/dbraw/zinc/23/98/26/568239826.db2.gz GFKMCWXOCZKJPX-DTORHVGOSA-N 1 2 361.286 2.061 20 30 FEEDLO CCN1CCN(c2ncc(Br)cc2C#N)C[C@@H]1c1[nH]cc[nH+]1 ZINC000568956788 568255884 /nfs/dbraw/zinc/25/58/84/568255884.db2.gz QJKCADCWUPSUJA-CYBMUJFWSA-N 1 2 361.247 2.322 20 30 FEEDLO Cc1c(C#N)c2[nH]c3ccccc3n2c(=O)c1C=[NH+]N[C@H]1CCSC1 ZINC000808000553 674437260 /nfs/dbraw/zinc/43/72/60/674437260.db2.gz PTUFMBZPBUQOCQ-LBPRGKRZSA-N 1 2 351.435 2.390 20 30 FEEDLO C[C@@H]1CN(S(=O)(=O)c2cc(Br)cc(C#N)c2)C[C@H](C)[N@H+]1C ZINC000559147783 674530196 /nfs/dbraw/zinc/53/01/96/674530196.db2.gz IXOQLAAMTYPVNZ-PHIMTYICSA-N 1 2 372.288 2.034 20 30 FEEDLO C[C@@H]1CN(S(=O)(=O)c2cc(Br)cc(C#N)c2)C[C@H](C)[N@@H+]1C ZINC000559147783 674530198 /nfs/dbraw/zinc/53/01/98/674530198.db2.gz IXOQLAAMTYPVNZ-PHIMTYICSA-N 1 2 372.288 2.034 20 30 FEEDLO N#Cc1cc(C[NH+]2CCN(c3ccccc3-c3nn[nH]n3)CC2)ccc1F ZINC000822819522 606968807 /nfs/dbraw/zinc/96/88/07/606968807.db2.gz UFWHBFZRDRTWFO-UHFFFAOYSA-N 1 2 363.400 2.200 20 30 FEEDLO N#Cc1csc(C[N@@H+]2CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C2)c1 ZINC000826387699 608854689 /nfs/dbraw/zinc/85/46/89/608854689.db2.gz LOUHKLKXBAVZOL-MRXNPFEDSA-N 1 2 352.423 2.373 20 30 FEEDLO N#Cc1csc(C[N@H+]2CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C2)c1 ZINC000826387699 608854690 /nfs/dbraw/zinc/85/46/90/608854690.db2.gz LOUHKLKXBAVZOL-MRXNPFEDSA-N 1 2 352.423 2.373 20 30 FEEDLO Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000826334996 609501176 /nfs/dbraw/zinc/50/11/76/609501176.db2.gz SPIYPZKXFBHNQX-SFHVURJKSA-N 1 2 363.429 2.017 20 30 FEEDLO Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000826334996 609501178 /nfs/dbraw/zinc/50/11/78/609501178.db2.gz SPIYPZKXFBHNQX-SFHVURJKSA-N 1 2 363.429 2.017 20 30 FEEDLO N#Cc1ccsc1NC(=O)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000815426779 674948512 /nfs/dbraw/zinc/94/85/12/674948512.db2.gz YEPMXQFHFKXZJA-UHFFFAOYSA-N 1 2 351.391 2.060 20 30 FEEDLO COc1cccc(Cl)c1C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000571396757 670868321 /nfs/dbraw/zinc/86/83/21/670868321.db2.gz MMJGXWCCPMTBSF-UHFFFAOYSA-N 1 2 365.842 2.179 20 30 FEEDLO N#Cc1ccsc1N1CC[C@H](N2CC[C@@H](Oc3cc[nH+]cc3)C2)C1=O ZINC000580700824 671825509 /nfs/dbraw/zinc/82/55/09/671825509.db2.gz YDYFUVUVUDCEQU-CVEARBPZSA-N 1 2 354.435 2.273 20 30 FEEDLO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(C[C@H]2CSCCS2)CC1=O ZINC000154003104 672208508 /nfs/dbraw/zinc/20/85/08/672208508.db2.gz ZVYONHHXBRSXNE-LBPRGKRZSA-N 1 2 374.535 2.495 20 30 FEEDLO C=CCn1c(-c2cnccn2)nn(C[N@H+](C)C[C@H]2CCCOC2)c1=S ZINC000159024309 672276136 /nfs/dbraw/zinc/27/61/36/672276136.db2.gz ZKNUBDBIKNPBSX-CQSZACIVSA-N 1 2 360.487 2.373 20 30 FEEDLO C=CCn1c(-c2cnccn2)nn(C[N@@H+](C)C[C@H]2CCCOC2)c1=S ZINC000159024309 672276139 /nfs/dbraw/zinc/27/61/39/672276139.db2.gz ZKNUBDBIKNPBSX-CQSZACIVSA-N 1 2 360.487 2.373 20 30 FEEDLO C[C@@H](NC(=O)C#Cc1ccc(C(F)(F)F)cc1)[C@H](C)[NH+]1CCOCC1 ZINC000191293677 672662921 /nfs/dbraw/zinc/66/29/21/672662921.db2.gz RCFKPJMMNUOCEO-KGLIPLIRSA-N 1 2 354.372 2.282 20 30 FEEDLO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CCC[C@H](c3ccncn3)C2)C1=O ZINC000370235047 673149360 /nfs/dbraw/zinc/14/93/60/673149360.db2.gz CJSXWVKFHIHBSL-GOEBONIOSA-N 1 2 353.451 2.395 20 30 FEEDLO N#Cc1ccsc1N1CC[C@@H]([N@H+]2CCC[C@H](c3ccncn3)C2)C1=O ZINC000370235047 673149362 /nfs/dbraw/zinc/14/93/62/673149362.db2.gz CJSXWVKFHIHBSL-GOEBONIOSA-N 1 2 353.451 2.395 20 30 FEEDLO C[C@@H](Sc1ccncc1C#N)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000594910631 673178239 /nfs/dbraw/zinc/17/82/39/673178239.db2.gz RITXCPYVDYMJGK-CQSZACIVSA-N 1 2 353.451 2.178 20 30 FEEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)C[C@@H]1COCCO1 ZINC000595737493 673286942 /nfs/dbraw/zinc/28/69/42/673286942.db2.gz QVQHTWGBVSUZFA-HUUCEWRRSA-N 1 2 363.483 2.224 20 30 FEEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)C[C@@H]1COCCO1 ZINC000595737493 673286945 /nfs/dbraw/zinc/28/69/45/673286945.db2.gz QVQHTWGBVSUZFA-HUUCEWRRSA-N 1 2 363.483 2.224 20 30 FEEDLO CC(C)(C#N)C[C@H](O)C[NH+]1CCN(C(=O)c2c(F)cccc2F)CC1 ZINC000598591252 673587305 /nfs/dbraw/zinc/58/73/05/673587305.db2.gz XMHVZRNSUMVSEP-ZDUSSCGKSA-N 1 2 351.397 2.023 20 30 FEEDLO N#Cc1cc(Br)ccc1CC(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000598950324 673624703 /nfs/dbraw/zinc/62/47/03/673624703.db2.gz QPNJNRAXAQZKQH-CQSZACIVSA-N 1 2 359.227 2.191 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC000545933477 673783676 /nfs/dbraw/zinc/78/36/76/673783676.db2.gz WAGLUSSHRBGNRS-DAXOMENPSA-N 1 2 363.424 2.455 20 30 FEEDLO N#Cc1ccc(N2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)c(Cl)c1 ZINC000602140809 673902639 /nfs/dbraw/zinc/90/26/39/673902639.db2.gz IVWFRPXWKBUIJV-ZIAGYGMSSA-N 1 2 355.829 2.387 20 30 FEEDLO N#Cc1ccc(N2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)c(Cl)c1 ZINC000602140809 673902641 /nfs/dbraw/zinc/90/26/41/673902641.db2.gz IVWFRPXWKBUIJV-ZIAGYGMSSA-N 1 2 355.829 2.387 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)N[C@@H]2CCn3cc[nH+]c3C2)cc1C(F)(F)F ZINC000548623938 673981358 /nfs/dbraw/zinc/98/13/58/673981358.db2.gz OFSJDWQAVMPTGL-LLVKDONJSA-N 1 2 370.356 2.067 20 30 FEEDLO C[C@@]1(c2ccccc2)CC[N@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000567786223 675322803 /nfs/dbraw/zinc/32/28/03/675322803.db2.gz OPYAYAVRJCSLEP-LJQANCHMSA-N 1 2 355.463 2.391 20 30 FEEDLO C[C@@]1(c2ccccc2)CC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000567786223 675322805 /nfs/dbraw/zinc/32/28/05/675322805.db2.gz OPYAYAVRJCSLEP-LJQANCHMSA-N 1 2 355.463 2.391 20 30 FEEDLO C#CCCCOc1ccc[nH+]c1NCc1cccc(S(=O)(=O)NC)c1 ZINC000820624711 675374910 /nfs/dbraw/zinc/37/49/10/675374910.db2.gz URPHZOGZMBETOF-UHFFFAOYSA-N 1 2 359.451 2.394 20 30 FEEDLO C[S@@](=O)CC[NH+]1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000828583265 675831788 /nfs/dbraw/zinc/83/17/88/675831788.db2.gz UTSHTRJJNZUGHU-YCRPNKLZSA-N 1 2 370.316 2.010 20 30 FEEDLO C[C@H](NC(=O)NCc1ccc(C#N)c(Cl)c1)[C@H](C)[NH+]1CCOCC1 ZINC000619758852 676393681 /nfs/dbraw/zinc/39/36/81/676393681.db2.gz PXTAPNPINWKTIY-STQMWFEESA-N 1 2 350.850 2.120 20 30 FEEDLO C=CCCOCC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000677978553 679707377 /nfs/dbraw/zinc/70/73/77/679707377.db2.gz HYBGFNWBLBBVDY-SJLPKXTDSA-N 1 2 352.862 2.421 20 30 FEEDLO C=CCCOCC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000677978553 679707379 /nfs/dbraw/zinc/70/73/79/679707379.db2.gz HYBGFNWBLBBVDY-SJLPKXTDSA-N 1 2 352.862 2.421 20 30 FEEDLO C=C(C)COCCNC(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000633121441 677032712 /nfs/dbraw/zinc/03/27/12/677032712.db2.gz ODXMUAXCJXWIPA-UHFFFAOYSA-N 1 2 350.488 2.027 20 30 FEEDLO CC#CC[C@@H](CO)NC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000646183538 677280584 /nfs/dbraw/zinc/28/05/84/677280584.db2.gz ILYCAQCORWVMFN-KBPBESRZSA-N 1 2 350.488 2.271 20 30 FEEDLO CC#CC[C@@H](CO)NC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000646183538 677280585 /nfs/dbraw/zinc/28/05/85/677280585.db2.gz ILYCAQCORWVMFN-KBPBESRZSA-N 1 2 350.488 2.271 20 30 FEEDLO C[C@H]1CCCC[C@@H]1OCCNC(=O)CO[NH+]=C(N)c1ccc(F)cc1 ZINC000762665901 680757757 /nfs/dbraw/zinc/75/77/57/680757757.db2.gz VBDWALJDYSVZNF-BBRMVZONSA-N 1 2 351.422 2.174 20 30 FEEDLO C=CC[N@H+](CC[C@H]1Sc2ccccc2NC1=O)[C@H]1CCS(=O)(=O)C1 ZINC000660069178 678272672 /nfs/dbraw/zinc/27/26/72/678272672.db2.gz DLQORAONSUSLRG-XJKSGUPXSA-N 1 2 366.508 2.165 20 30 FEEDLO C=CC[N@@H+](CC[C@H]1Sc2ccccc2NC1=O)[C@H]1CCS(=O)(=O)C1 ZINC000660069178 678272674 /nfs/dbraw/zinc/27/26/74/678272674.db2.gz DLQORAONSUSLRG-XJKSGUPXSA-N 1 2 366.508 2.165 20 30 FEEDLO C=CC[C@@H]1CCC[N@H+](CC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000661377802 678472706 /nfs/dbraw/zinc/47/27/06/678472706.db2.gz VZIGKCJLAZTHIB-SJLPKXTDSA-N 1 2 368.543 2.233 20 30 FEEDLO C=CC[C@@H]1CCC[N@@H+](CC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000661377802 678472709 /nfs/dbraw/zinc/47/27/09/678472709.db2.gz VZIGKCJLAZTHIB-SJLPKXTDSA-N 1 2 368.543 2.233 20 30 FEEDLO O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1N[NH2+]C=C1CC1(F)F ZINC000834913144 680282060 /nfs/dbraw/zinc/28/20/60/680282060.db2.gz VHLCSUHHRHJKBP-JTQLQIEISA-N 1 2 374.369 2.432 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1snnc1C ZINC001024701503 680301048 /nfs/dbraw/zinc/30/10/48/680301048.db2.gz DFFUIFIVHRWHGT-VYDXJSESSA-N 1 2 364.515 2.298 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCCC[N@H+]1Cc1snnc1C ZINC001024701503 680301052 /nfs/dbraw/zinc/30/10/52/680301052.db2.gz DFFUIFIVHRWHGT-VYDXJSESSA-N 1 2 364.515 2.298 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CC(=C)Br ZINC001027889678 680362101 /nfs/dbraw/zinc/36/21/01/680362101.db2.gz DKELHGIGMGAICZ-ZNMIVQPWSA-N 1 2 357.292 2.457 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CC(=C)Br ZINC001027889678 680362105 /nfs/dbraw/zinc/36/21/05/680362105.db2.gz DKELHGIGMGAICZ-ZNMIVQPWSA-N 1 2 357.292 2.457 20 30 FEEDLO C=C(Br)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccnn1C ZINC001028039430 680368259 /nfs/dbraw/zinc/36/82/59/680368259.db2.gz LWKDGYUZSSZDKU-MGPQQGTHSA-N 1 2 367.291 2.013 20 30 FEEDLO C=C(Br)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccnn1C ZINC001028039430 680368262 /nfs/dbraw/zinc/36/82/62/680368262.db2.gz LWKDGYUZSSZDKU-MGPQQGTHSA-N 1 2 367.291 2.013 20 30 FEEDLO C=C(Br)CN1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001028144663 680369926 /nfs/dbraw/zinc/36/99/26/680369926.db2.gz ABSSIMAPTAESID-BFHYXJOUSA-N 1 2 367.291 2.013 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC(C[N@@H+](C)Cc2csnn2)CC1 ZINC001029966334 680394463 /nfs/dbraw/zinc/39/44/63/680394463.db2.gz QKVJAVHCHALHDF-SJORKVTESA-N 1 2 364.515 2.190 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC(C[N@H+](C)Cc2csnn2)CC1 ZINC001029966334 680394466 /nfs/dbraw/zinc/39/44/66/680394466.db2.gz QKVJAVHCHALHDF-SJORKVTESA-N 1 2 364.515 2.190 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H](C[N@@H+](C)Cc2nnc(C)s2)C1 ZINC001029864579 680394828 /nfs/dbraw/zinc/39/48/28/680394828.db2.gz QTIAOMPZRPYOOB-ZOBUZTSGSA-N 1 2 364.515 2.108 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H](C[N@H+](C)Cc2nnc(C)s2)C1 ZINC001029864579 680394829 /nfs/dbraw/zinc/39/48/29/680394829.db2.gz QTIAOMPZRPYOOB-ZOBUZTSGSA-N 1 2 364.515 2.108 20 30 FEEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@H]2c2cc(F)c(F)c(F)c2)C1 ZINC001035569666 680451003 /nfs/dbraw/zinc/45/10/03/680451003.db2.gz IMXACOCBFVTKLX-HZSPNIEDSA-N 1 2 354.372 2.210 20 30 FEEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@H]2c2cc(F)c(F)c(F)c2)C1 ZINC001035569666 680451004 /nfs/dbraw/zinc/45/10/04/680451004.db2.gz IMXACOCBFVTKLX-HZSPNIEDSA-N 1 2 354.372 2.210 20 30 FEEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2C1 ZINC000986159251 680497496 /nfs/dbraw/zinc/49/74/96/680497496.db2.gz UMKGFCWHWUPNMJ-KGLIPLIRSA-N 1 2 364.877 2.038 20 30 FEEDLO N#Cc1ccc(Cl)cc1NC(=O)COC(=O)CCc1ccc(N)[nH+]c1 ZINC000759813485 680668452 /nfs/dbraw/zinc/66/84/52/680668452.db2.gz BPYUXYQWQVOZAJ-UHFFFAOYSA-N 1 2 358.785 2.303 20 30 FEEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cccc2nsnc21 ZINC000766094165 680866608 /nfs/dbraw/zinc/86/66/08/680866608.db2.gz YQDYLLHUIOOAEB-LBPRGKRZSA-N 1 2 351.439 2.064 20 30 FEEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cccc2nsnc21 ZINC000766094165 680866610 /nfs/dbraw/zinc/86/66/10/680866610.db2.gz YQDYLLHUIOOAEB-LBPRGKRZSA-N 1 2 351.439 2.064 20 30 FEEDLO C#C[C@@H](C)[N@H+](C)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F ZINC000769978041 681002098 /nfs/dbraw/zinc/00/20/98/681002098.db2.gz OBCCLSMVFJEAJR-BXUZGUMPSA-N 1 2 353.344 2.246 20 30 FEEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F ZINC000769978041 681002099 /nfs/dbraw/zinc/00/20/99/681002099.db2.gz OBCCLSMVFJEAJR-BXUZGUMPSA-N 1 2 353.344 2.246 20 30 FEEDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)N[C@@H](CC#N)C(F)(F)F)CC1 ZINC000932919405 681328428 /nfs/dbraw/zinc/32/84/28/681328428.db2.gz HZBQPBBWVOGTDJ-JSGCOSHPSA-N 1 2 355.364 2.314 20 30 FEEDLO C[N@H+](CC(=O)NC[C@@H]1COc2ccccc2O1)Cc1cc(C#N)cs1 ZINC000933779295 681467473 /nfs/dbraw/zinc/46/74/73/681467473.db2.gz WULIYNTYDBGQLN-CQSZACIVSA-N 1 2 357.435 2.008 20 30 FEEDLO C[N@@H+](CC(=O)NC[C@@H]1COc2ccccc2O1)Cc1cc(C#N)cs1 ZINC000933779295 681467475 /nfs/dbraw/zinc/46/74/75/681467475.db2.gz WULIYNTYDBGQLN-CQSZACIVSA-N 1 2 357.435 2.008 20 30 FEEDLO C=C(Br)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCO[C@H]1C(C)C ZINC000959959074 682013812 /nfs/dbraw/zinc/01/38/12/682013812.db2.gz UHIRKACCMDBEDL-RBZJEDDUSA-N 1 2 371.319 2.393 20 30 FEEDLO C=C(Br)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCO[C@H]1C(C)C ZINC000959959074 682013821 /nfs/dbraw/zinc/01/38/21/682013821.db2.gz UHIRKACCMDBEDL-RBZJEDDUSA-N 1 2 371.319 2.393 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1snnc1C ZINC000960647386 682055969 /nfs/dbraw/zinc/05/59/69/682055969.db2.gz OFLVKCVBGGQBNP-XHSDSOJGSA-N 1 2 364.515 2.251 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H]1C[N@H+](C)Cc1snnc1C ZINC000960647386 682055974 /nfs/dbraw/zinc/05/59/74/682055974.db2.gz OFLVKCVBGGQBNP-XHSDSOJGSA-N 1 2 364.515 2.251 20 30 FEEDLO Cn1cc[nH+]c1[C@H]1CCCN(S(=O)(=O)Cc2csc(C#N)c2)C1 ZINC000915033103 685511297 /nfs/dbraw/zinc/51/12/97/685511297.db2.gz PXPMAPLLICVXSP-ZDUSSCGKSA-N 1 2 350.469 2.063 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1snnc1C ZINC000960928983 682072563 /nfs/dbraw/zinc/07/25/63/682072563.db2.gz VFSLXGQGMGMVSR-VYDXJSESSA-N 1 2 364.515 2.251 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1snnc1C ZINC000960928983 682072567 /nfs/dbraw/zinc/07/25/67/682072567.db2.gz VFSLXGQGMGMVSR-VYDXJSESSA-N 1 2 364.515 2.251 20 30 FEEDLO C=C(Br)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC000961843638 682102015 /nfs/dbraw/zinc/10/20/15/682102015.db2.gz AUDVWGPIKKIWNE-ZVDSWSACSA-N 1 2 362.271 2.140 20 30 FEEDLO C=C(Br)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC000961843638 682102019 /nfs/dbraw/zinc/10/20/19/682102019.db2.gz AUDVWGPIKKIWNE-ZVDSWSACSA-N 1 2 362.271 2.140 20 30 FEEDLO N#Cc1ccc(Br)c(C[N@@H+]2CC[C@H](N3CCOC3=O)C2)c1 ZINC000852437719 682278986 /nfs/dbraw/zinc/27/89/86/682278986.db2.gz FXHZCUOEUSQEEV-ZDUSSCGKSA-N 1 2 350.216 2.347 20 30 FEEDLO N#Cc1ccc(Br)c(C[N@H+]2CC[C@H](N3CCOC3=O)C2)c1 ZINC000852437719 682278991 /nfs/dbraw/zinc/27/89/91/682278991.db2.gz FXHZCUOEUSQEEV-ZDUSSCGKSA-N 1 2 350.216 2.347 20 30 FEEDLO C=C[C@H](C(=O)OC)[NH+]1CCC([C@@H]2CCCN(C(=O)C(F)(F)F)C2)CC1 ZINC000852600260 682306472 /nfs/dbraw/zinc/30/64/72/682306472.db2.gz GCJCADWNGJYIOA-ZIAGYGMSSA-N 1 2 362.392 2.227 20 30 FEEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2C2CCOCC2)C1 ZINC000971931419 682381020 /nfs/dbraw/zinc/38/10/20/682381020.db2.gz KKCGHKFBXRKMAC-HRCADAONSA-N 1 2 371.319 2.490 20 30 FEEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2C2CCOCC2)C1 ZINC000971931419 682381024 /nfs/dbraw/zinc/38/10/24/682381024.db2.gz KKCGHKFBXRKMAC-HRCADAONSA-N 1 2 371.319 2.490 20 30 FEEDLO N#CCCNC(=O)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000787371459 682453429 /nfs/dbraw/zinc/45/34/29/682453429.db2.gz GORSEBZDNPNWPO-UHFFFAOYSA-N 1 2 356.348 2.326 20 30 FEEDLO C#CCC[C@H](O)CNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000798444576 683348833 /nfs/dbraw/zinc/34/88/33/683348833.db2.gz UJCTUSNJFKTWLN-IAOVAPTHSA-N 1 2 367.852 2.298 20 30 FEEDLO C#CCC[C@H](O)CNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000798444576 683348841 /nfs/dbraw/zinc/34/88/41/683348841.db2.gz UJCTUSNJFKTWLN-IAOVAPTHSA-N 1 2 367.852 2.298 20 30 FEEDLO C#CC[NH+]1CCC(NS(=O)(=O)c2ccc(F)cc2C(F)(F)F)CC1 ZINC000921438630 683467910 /nfs/dbraw/zinc/46/79/10/683467910.db2.gz GGAOAIJTRKOQER-UHFFFAOYSA-N 1 2 364.364 2.220 20 30 FEEDLO C#CC[C@@H]1CC[N@@H+](Cc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2Cl)C1 ZINC000862443274 683592360 /nfs/dbraw/zinc/59/23/60/683592360.db2.gz NLEVKHPPCSNWLN-KGLIPLIRSA-N 1 2 355.891 2.050 20 30 FEEDLO C#CC[C@@H]1CC[N@H+](Cc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2Cl)C1 ZINC000862443274 683592365 /nfs/dbraw/zinc/59/23/65/683592365.db2.gz NLEVKHPPCSNWLN-KGLIPLIRSA-N 1 2 355.891 2.050 20 30 FEEDLO C[N@H+](CCC#N)C[C@@H](O)c1ccc2c(c1)CN(C(=O)C(F)(F)F)CC2 ZINC000929810160 683642436 /nfs/dbraw/zinc/64/24/36/683642436.db2.gz YAIMFGJZOCMLMY-OAHLLOKOSA-N 1 2 355.360 2.012 20 30 FEEDLO C[N@@H+](CCC#N)C[C@@H](O)c1ccc2c(c1)CN(C(=O)C(F)(F)F)CC2 ZINC000929810160 683642439 /nfs/dbraw/zinc/64/24/39/683642439.db2.gz YAIMFGJZOCMLMY-OAHLLOKOSA-N 1 2 355.360 2.012 20 30 FEEDLO C[C@H]([NH2+]CCOc1ccc(S(C)(=O)=O)cc1)c1cccc(C#N)c1O ZINC000866260126 684086852 /nfs/dbraw/zinc/08/68/52/684086852.db2.gz CGHZQJUASDPPHT-ZDUSSCGKSA-N 1 2 360.435 2.397 20 30 FEEDLO N#Cc1ccc(C[N@H+]2CCCC[C@H]2CS(N)(=O)=O)c(C(F)(F)F)c1 ZINC000931233083 684246360 /nfs/dbraw/zinc/24/63/60/684246360.db2.gz WLWBPGISXBAECS-ZDUSSCGKSA-N 1 2 361.389 2.220 20 30 FEEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@H]2CS(N)(=O)=O)c(C(F)(F)F)c1 ZINC000931233083 684246364 /nfs/dbraw/zinc/24/63/64/684246364.db2.gz WLWBPGISXBAECS-ZDUSSCGKSA-N 1 2 361.389 2.220 20 30 FEEDLO C[C@@H]1C[N@H+](CCNC(=O)Nc2ccc(C#N)c(Br)c2)CCO1 ZINC000931379196 684272265 /nfs/dbraw/zinc/27/22/65/684272265.db2.gz IWSNYRGWPDOVQV-LLVKDONJSA-N 1 2 367.247 2.163 20 30 FEEDLO C[C@@H]1C[N@@H+](CCNC(=O)Nc2ccc(C#N)c(Br)c2)CCO1 ZINC000931379196 684272268 /nfs/dbraw/zinc/27/22/68/684272268.db2.gz IWSNYRGWPDOVQV-LLVKDONJSA-N 1 2 367.247 2.163 20 30 FEEDLO O=C(OCC#Cc1ccc(Cl)cc1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000923772874 684348646 /nfs/dbraw/zinc/34/86/46/684348646.db2.gz WFWREHLTSDQMQQ-MSOLQXFVSA-N 1 2 363.841 2.115 20 30 FEEDLO COC(=O)C[C@@H]1C[N@H+](CC(=O)Nc2ccccc2SCC#N)C[C@H]1C ZINC000932106399 684409098 /nfs/dbraw/zinc/40/90/98/684409098.db2.gz GNILHVKUUVSXQJ-ZIAGYGMSSA-N 1 2 361.467 2.372 20 30 FEEDLO COC(=O)C[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2SCC#N)C[C@H]1C ZINC000932106399 684409100 /nfs/dbraw/zinc/40/91/00/684409100.db2.gz GNILHVKUUVSXQJ-ZIAGYGMSSA-N 1 2 361.467 2.372 20 30 FEEDLO CC(=O)[C@@](C#N)(CC[N@@H+]1CCC[C@@H](CS(C)(=O)=O)C1)c1ccccc1 ZINC000878648839 686627741 /nfs/dbraw/zinc/62/77/41/686627741.db2.gz TVRCBTLCRRGPLA-MJGOQNOKSA-N 1 2 362.495 2.184 20 30 FEEDLO CC(=O)[C@@](C#N)(CC[N@H+]1CCC[C@@H](CS(C)(=O)=O)C1)c1ccccc1 ZINC000878648839 686627748 /nfs/dbraw/zinc/62/77/48/686627748.db2.gz TVRCBTLCRRGPLA-MJGOQNOKSA-N 1 2 362.495 2.184 20 30 FEEDLO C[C@@H]1C[N@H+](CC(=O)NCc2cccc(C#N)c2)CC[C@H](C(F)(F)F)O1 ZINC000880057916 686989421 /nfs/dbraw/zinc/98/94/21/686989421.db2.gz AHFAHUUQUNWVHB-IUODEOHRSA-N 1 2 355.360 2.216 20 30 FEEDLO C[C@@H]1C[N@@H+](CC(=O)NCc2cccc(C#N)c2)CC[C@H](C(F)(F)F)O1 ZINC000880057916 686989425 /nfs/dbraw/zinc/98/94/25/686989425.db2.gz AHFAHUUQUNWVHB-IUODEOHRSA-N 1 2 355.360 2.216 20 30 FEEDLO Cc1sc(NC(=O)C[N@@H+]2C[C@H](O)CC3(CCOCC3)C2)c(C#N)c1C ZINC000880581366 687062213 /nfs/dbraw/zinc/06/22/13/687062213.db2.gz AIMSVYAHTWPOQL-CQSZACIVSA-N 1 2 363.483 2.039 20 30 FEEDLO Cc1sc(NC(=O)C[N@H+]2C[C@H](O)CC3(CCOCC3)C2)c(C#N)c1C ZINC000880581366 687062216 /nfs/dbraw/zinc/06/22/16/687062216.db2.gz AIMSVYAHTWPOQL-CQSZACIVSA-N 1 2 363.483 2.039 20 30 FEEDLO COc1cc(C#N)ccc1OS(=O)(=O)c1cccc2c1CC[N@H+](C)C2 ZINC000881747401 687203804 /nfs/dbraw/zinc/20/38/04/687203804.db2.gz YMSJQYLSNJJNRY-UHFFFAOYSA-N 1 2 358.419 2.322 20 30 FEEDLO COc1cc(C#N)ccc1OS(=O)(=O)c1cccc2c1CC[N@@H+](C)C2 ZINC000881747401 687203805 /nfs/dbraw/zinc/20/38/05/687203805.db2.gz YMSJQYLSNJJNRY-UHFFFAOYSA-N 1 2 358.419 2.322 20 30 FEEDLO O=C(C[C@@H](n1cc[nH+]c1)C(F)(F)F)NC[C@@H](O)C(F)(F)C(F)(F)F ZINC000882554441 687391304 /nfs/dbraw/zinc/39/13/04/687391304.db2.gz MHWHZLMRBHSRLU-RNFRBKRXSA-N 1 2 369.212 2.051 20 30 FEEDLO C=C(C)C[C@H](CO)NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000883570042 687670631 /nfs/dbraw/zinc/67/06/31/687670631.db2.gz REZISDVKYQHVQF-XYPHTWIQSA-N 1 2 353.413 2.336 20 30 FEEDLO C=C(C)C[C@H](CO)NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000883570042 687670633 /nfs/dbraw/zinc/67/06/33/687670633.db2.gz REZISDVKYQHVQF-XYPHTWIQSA-N 1 2 353.413 2.336 20 30 FEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1cccc(OCC(F)(F)F)c1C ZINC000884120396 687793792 /nfs/dbraw/zinc/79/37/92/687793792.db2.gz KVGOVWOTDIALOR-NSHDSACASA-N 1 2 360.332 2.321 20 30 FEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCc1c(Cl)cccc1OC(F)F ZINC000884468554 687876801 /nfs/dbraw/zinc/87/68/01/687876801.db2.gz GNFRZVKPYOUJDT-NSHDSACASA-N 1 2 362.760 2.004 20 30 FEEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000891608524 689082922 /nfs/dbraw/zinc/08/29/22/689082922.db2.gz YWURCPJGFYZRBO-LBPRGKRZSA-N 1 2 354.237 2.146 20 30 FEEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000891608524 689082925 /nfs/dbraw/zinc/08/29/25/689082925.db2.gz YWURCPJGFYZRBO-LBPRGKRZSA-N 1 2 354.237 2.146 20 30 FEEDLO C#CC[NH+]1CCC(NS(=O)(=O)c2c(C#N)sc3ccccc32)CC1 ZINC000907417033 691475585 /nfs/dbraw/zinc/47/55/85/691475585.db2.gz LAJHNBVZICVLED-UHFFFAOYSA-N 1 2 359.476 2.149 20 30 FEEDLO Cc1cc(C#N)c(N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)nc1C ZINC001165011743 721700999 /nfs/dbraw/zinc/70/09/99/721700999.db2.gz XTOYSGPLUVMLHL-UHFFFAOYSA-N 1 2 353.474 2.412 20 30 FEEDLO Cc1cc(C#N)c(N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)nc1C ZINC001165011743 721701006 /nfs/dbraw/zinc/70/10/06/721701006.db2.gz XTOYSGPLUVMLHL-UHFFFAOYSA-N 1 2 353.474 2.412 20 30 FEEDLO N#Cc1cc(Cl)ncc1C(F)(F)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001165039693 721914426 /nfs/dbraw/zinc/91/44/26/721914426.db2.gz VISYOXOHMWQORD-CYBMUJFWSA-N 1 2 356.804 2.453 20 30 FEEDLO N#Cc1nc(Cl)c(N2CC[NH+](CCOc3ccccc3)CC2)nc1C#N ZINC001165044288 721956223 /nfs/dbraw/zinc/95/62/23/721956223.db2.gz LBKUQZUDZPNLRB-UHFFFAOYSA-N 1 2 368.828 2.074 20 30 FEEDLO C=CCNC(=O)CSc1nnc(C[NH+]2CCCC2)n1-c1ccccc1 ZINC000009872706 539508615 /nfs/dbraw/zinc/50/86/15/539508615.db2.gz VRAOUYSLNBTFDN-UHFFFAOYSA-N 1 2 357.483 2.257 20 30 FEEDLO CCC[N@H+](CC(=O)Nc1ccccc1OC)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000011221057 539525754 /nfs/dbraw/zinc/52/57/54/539525754.db2.gz SADYABZOHLBUHG-FQEVSTJZSA-N 1 2 372.469 2.154 20 30 FEEDLO CCC[N@@H+](CC(=O)Nc1ccccc1OC)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000011221057 539525758 /nfs/dbraw/zinc/52/57/58/539525758.db2.gz SADYABZOHLBUHG-FQEVSTJZSA-N 1 2 372.469 2.154 20 30 FEEDLO N#Cc1ccc(OCC[NH+]2CCN(CC(=O)Nc3ccccc3)CC2)cc1 ZINC000024247184 539728210 /nfs/dbraw/zinc/72/82/10/539728210.db2.gz BKWMBGNNMFJZEW-UHFFFAOYSA-N 1 2 364.449 2.193 20 30 FEEDLO C=CCNC(=O)C[N@H+](Cc1ccco1)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000026926589 539797740 /nfs/dbraw/zinc/79/77/40/539797740.db2.gz HXSCEXYMORNDMG-UHFFFAOYSA-N 1 2 367.449 2.476 20 30 FEEDLO C=CCNC(=O)C[N@@H+](Cc1ccco1)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000026926589 539797742 /nfs/dbraw/zinc/79/77/42/539797742.db2.gz HXSCEXYMORNDMG-UHFFFAOYSA-N 1 2 367.449 2.476 20 30 FEEDLO CC(C)c1ccc(C[NH+]2CCN(S(=O)(=O)N(C)CCC#N)CC2)cc1 ZINC000027954599 539821423 /nfs/dbraw/zinc/82/14/23/539821423.db2.gz WIVLOOHDPUMBBC-UHFFFAOYSA-N 1 2 364.515 2.018 20 30 FEEDLO COc1ccc(OC)c(C[N@H+](CC(=O)N[C@@](C)(C#N)C2CC2)C2CC2)c1 ZINC000028980493 539840752 /nfs/dbraw/zinc/84/07/52/539840752.db2.gz PDARITJOVXELJO-FQEVSTJZSA-N 1 2 357.454 2.477 20 30 FEEDLO COc1ccc(OC)c(C[N@@H+](CC(=O)N[C@@](C)(C#N)C2CC2)C2CC2)c1 ZINC000028980493 539840755 /nfs/dbraw/zinc/84/07/55/539840755.db2.gz PDARITJOVXELJO-FQEVSTJZSA-N 1 2 357.454 2.477 20 30 FEEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+](C)Cc2cnn(C)c2)cc1 ZINC000029065960 539841669 /nfs/dbraw/zinc/84/16/69/539841669.db2.gz YWDKZPJTYKJZKV-UHFFFAOYSA-N 1 2 355.442 2.197 20 30 FEEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+](C)Cc2cnn(C)c2)cc1 ZINC000029065960 539841672 /nfs/dbraw/zinc/84/16/72/539841672.db2.gz YWDKZPJTYKJZKV-UHFFFAOYSA-N 1 2 355.442 2.197 20 30 FEEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN(CCOc2ccccc2)CC1 ZINC000042384989 540062299 /nfs/dbraw/zinc/06/22/99/540062299.db2.gz RQMAPWFWZHRNHG-LJQANCHMSA-N 1 2 359.514 2.496 20 30 FEEDLO N#Cc1cccc(CNC(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)c1 ZINC000042320766 540058446 /nfs/dbraw/zinc/05/84/46/540058446.db2.gz NQZYKNWHKQUTMN-HXUWFJFHSA-N 1 2 364.449 2.431 20 30 FEEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[NH+]1CCC(C(=O)N(C)C)CC1 ZINC000042675562 540073026 /nfs/dbraw/zinc/07/30/26/540073026.db2.gz NKHFKFXWKBLPAU-LBPRGKRZSA-N 1 2 374.510 2.236 20 30 FEEDLO C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000043932146 540115323 /nfs/dbraw/zinc/11/53/23/540115323.db2.gz KYRSNEWVOYQYHE-OAHLLOKOSA-N 1 2 372.469 2.116 20 30 FEEDLO C[C@@H](C(=O)N(C)Cc1ccccc1)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000045748462 540225308 /nfs/dbraw/zinc/22/53/08/540225308.db2.gz LUNPZCBTUHUVGD-KRWDZBQOSA-N 1 2 363.465 2.122 20 30 FEEDLO C[C@@H]1CN(c2ccc(CNC(=O)c3cccc(C#N)c3)c[nH+]2)C[C@H](C)O1 ZINC000046792044 540270533 /nfs/dbraw/zinc/27/05/33/540270533.db2.gz UDXAEPZZXAACHT-GASCZTMLSA-N 1 2 350.422 2.497 20 30 FEEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCCN(c2ccccc2C#N)CC1 ZINC000047028060 540285524 /nfs/dbraw/zinc/28/55/24/540285524.db2.gz AUTQEXSVNFJGIQ-MRXNPFEDSA-N 1 2 352.442 2.065 20 30 FEEDLO C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000047858866 540331123 /nfs/dbraw/zinc/33/11/23/540331123.db2.gz HOJXFERIUJDGPT-IXDOHACOSA-N 1 2 355.486 2.253 20 30 FEEDLO CCCCNC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000051059731 540420642 /nfs/dbraw/zinc/42/06/42/540420642.db2.gz YVJBVQGSUAIHDA-HNNXBMFYSA-N 1 2 360.458 2.335 20 30 FEEDLO CCCCNC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000051059731 540420643 /nfs/dbraw/zinc/42/06/43/540420643.db2.gz YVJBVQGSUAIHDA-HNNXBMFYSA-N 1 2 360.458 2.335 20 30 FEEDLO C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000052712208 540484308 /nfs/dbraw/zinc/48/43/08/540484308.db2.gz ZOZNKLVHCBIXNB-AWEZNQCLSA-N 1 2 366.868 2.357 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCc3cn4ccccc4n3)CC2)cc1 ZINC000054953519 540619008 /nfs/dbraw/zinc/61/90/08/540619008.db2.gz KLXLSLVMWHJDDW-UHFFFAOYSA-N 1 2 374.448 2.233 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)N2CC[NH+](CCc3cccs3)CC2)cc1 ZINC000057018884 540763142 /nfs/dbraw/zinc/76/31/42/540763142.db2.gz ZKRBUFSGAMJJDY-UHFFFAOYSA-N 1 2 361.492 2.169 20 30 FEEDLO N#CC1CC[NH+](CC(=O)NCc2cccc(OCC(F)(F)F)c2)CC1 ZINC000057874142 540820247 /nfs/dbraw/zinc/82/02/47/540820247.db2.gz NWNRVROOPYYBPC-UHFFFAOYSA-N 1 2 355.360 2.479 20 30 FEEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000068327291 541577096 /nfs/dbraw/zinc/57/70/96/541577096.db2.gz MRRJQPXAGWZLTG-LJQANCHMSA-N 1 2 351.454 2.237 20 30 FEEDLO N#CCCN(C(=O)C[N@@H+]1CCCC[C@H]1C(=O)N1CCCC1)c1ccccc1 ZINC000068959870 541644392 /nfs/dbraw/zinc/64/43/92/541644392.db2.gz AZIXSBZFSNENLK-IBGZPJMESA-N 1 2 368.481 2.410 20 30 FEEDLO N#CCCN(C(=O)C[N@H+]1CCCC[C@H]1C(=O)N1CCCC1)c1ccccc1 ZINC000068959870 541644396 /nfs/dbraw/zinc/64/43/96/541644396.db2.gz AZIXSBZFSNENLK-IBGZPJMESA-N 1 2 368.481 2.410 20 30 FEEDLO O=C(N=C1NCCS1)C1CCN(c2ccc3cccc(O)c3[nH+]2)CC1 ZINC000069001084 541647577 /nfs/dbraw/zinc/64/75/77/541647577.db2.gz XCTSZSPOFMQEDM-UHFFFAOYSA-N 1 2 356.451 2.376 20 30 FEEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+]2CC[C@@H](O)C2)c1C#N ZINC000074324381 542069386 /nfs/dbraw/zinc/06/93/86/542069386.db2.gz MARARUISSXPIRC-QGZVFWFLSA-N 1 2 352.438 2.030 20 30 FEEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+]2CC[C@@H](O)C2)c1C#N ZINC000074324381 542069391 /nfs/dbraw/zinc/06/93/91/542069391.db2.gz MARARUISSXPIRC-QGZVFWFLSA-N 1 2 352.438 2.030 20 30 FEEDLO Cc1oc(NC(=O)[C@H](C)[NH+]2CCC(NC(=O)C(C)C)CC2)c(C#N)c1C ZINC000076968754 542336790 /nfs/dbraw/zinc/33/67/90/542336790.db2.gz IBXHZSOZELWODQ-ZDUSSCGKSA-N 1 2 360.458 2.332 20 30 FEEDLO Cc1cc(C)c(C#N)c(N2CC[NH+](CC(=O)N3C[C@H](C)C[C@H](C)C3)CC2)n1 ZINC000078596522 542469676 /nfs/dbraw/zinc/46/96/76/542469676.db2.gz FAYRORHKCQLVAB-IYBDPMFKSA-N 1 2 369.513 2.197 20 30 FEEDLO COC(=O)C1CC[NH+]([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)CC1 ZINC000078606694 542470344 /nfs/dbraw/zinc/47/03/44/542470344.db2.gz NEUQUIKPIHSSHT-CQSZACIVSA-N 1 2 361.417 2.346 20 30 FEEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CCc3nn(CC)c(=O)cc3C2)c1C ZINC000078612943 542470641 /nfs/dbraw/zinc/47/06/41/542470641.db2.gz PQRMWWXLUICREC-UHFFFAOYSA-N 1 2 354.454 2.109 20 30 FEEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CCc3nn(CC)c(=O)cc3C2)c1C ZINC000078612943 542470644 /nfs/dbraw/zinc/47/06/44/542470644.db2.gz PQRMWWXLUICREC-UHFFFAOYSA-N 1 2 354.454 2.109 20 30 FEEDLO C[N@@H+]1CCN(S(=O)(=O)Cc2cccc(C#N)c2)[C@H](c2ccccc2)C1 ZINC000071891131 221386316 /nfs/dbraw/zinc/38/63/16/221386316.db2.gz LUDOIJYPZODUSO-IBGZPJMESA-N 1 2 355.463 2.377 20 30 FEEDLO C[N@H+]1CCN(S(=O)(=O)Cc2cccc(C#N)c2)[C@H](c2ccccc2)C1 ZINC000071891131 221386319 /nfs/dbraw/zinc/38/63/19/221386319.db2.gz LUDOIJYPZODUSO-IBGZPJMESA-N 1 2 355.463 2.377 20 30 FEEDLO Cc1ccsc1CNC(=O)CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000079851000 542544932 /nfs/dbraw/zinc/54/49/32/542544932.db2.gz QVBZWJBSQBQSFP-UHFFFAOYSA-N 1 2 368.506 2.362 20 30 FEEDLO C[C@@H](C#N)Sc1nc2ccsc2c(=O)n1CCC[NH+]1CCOCC1 ZINC000079830633 542543888 /nfs/dbraw/zinc/54/38/88/542543888.db2.gz UBMCCSHAVJSZSL-LBPRGKRZSA-N 1 2 364.496 2.184 20 30 FEEDLO Cc1cccn2cc(CCNS(=O)(=O)Cc3cccc(C#N)c3)[nH+]c12 ZINC000080787346 542608390 /nfs/dbraw/zinc/60/83/90/542608390.db2.gz FFLXIINAGXOVCX-UHFFFAOYSA-N 1 2 354.435 2.177 20 30 FEEDLO N#Cc1cc(F)ccc1NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000080971281 542621211 /nfs/dbraw/zinc/62/12/11/542621211.db2.gz ZKWDMLXFWZIBJZ-UHFFFAOYSA-N 1 2 353.401 2.243 20 30 FEEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000081084957 542630029 /nfs/dbraw/zinc/63/00/29/542630029.db2.gz HSHXAYQATBVNRC-XJKSGUPXSA-N 1 2 355.360 2.321 20 30 FEEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000081084957 542630032 /nfs/dbraw/zinc/63/00/32/542630032.db2.gz HSHXAYQATBVNRC-XJKSGUPXSA-N 1 2 355.360 2.321 20 30 FEEDLO Cc1sc(NC(=O)CN(CCC#N)CC[NH+]2CCOCC2)c(C)c1C ZINC000081515512 542662044 /nfs/dbraw/zinc/66/20/44/542662044.db2.gz LMFMLCVJKQKGAJ-UHFFFAOYSA-N 1 2 364.515 2.160 20 30 FEEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]([C@@H](C)c2ccco2)C2CC2)CC1 ZINC000091624467 542816417 /nfs/dbraw/zinc/81/64/17/542816417.db2.gz ZGFFZLXWKHDJGF-WMZOPIPTSA-N 1 2 358.486 2.497 20 30 FEEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]([C@@H](C)c2ccco2)C2CC2)CC1 ZINC000091624467 542816421 /nfs/dbraw/zinc/81/64/21/542816421.db2.gz ZGFFZLXWKHDJGF-WMZOPIPTSA-N 1 2 358.486 2.497 20 30 FEEDLO C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(Cc2ccc(F)cc2C#N)CC1 ZINC000103139697 543094108 /nfs/dbraw/zinc/09/41/08/543094108.db2.gz MGDFMBPEBNFQRY-MRXNPFEDSA-N 1 2 358.461 2.216 20 30 FEEDLO C[C@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN(Cc3ccc(F)cc3C#N)CC2)C1 ZINC000103139270 543094357 /nfs/dbraw/zinc/09/43/57/543094357.db2.gz NPVVDIHRHCJYEN-IRXDYDNUSA-N 1 2 372.488 2.319 20 30 FEEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NCCCn1cc[nH+]c1 ZINC000108603268 543297138 /nfs/dbraw/zinc/29/71/38/543297138.db2.gz ZTEGXNYHWJOJHW-CQSZACIVSA-N 1 2 371.466 2.280 20 30 FEEDLO CC[NH+]1CCN(C(=O)C(=O)Nc2ccccc2SC[C@H](C)C#N)CC1 ZINC000108608477 543297463 /nfs/dbraw/zinc/29/74/63/543297463.db2.gz DQYDYCVXLZZNSO-CQSZACIVSA-N 1 2 360.483 2.041 20 30 FEEDLO N#Cc1ccc(NCCCCN2CC[NH+](CCO)CC2)cc1C(F)(F)F ZINC000114450875 543516588 /nfs/dbraw/zinc/51/65/88/543516588.db2.gz ACZPJWLBPRUGJX-UHFFFAOYSA-N 1 2 370.419 2.379 20 30 FEEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000118835767 543660483 /nfs/dbraw/zinc/66/04/83/543660483.db2.gz YULGRTQNUAPSGO-ROUUACIJSA-N 1 2 369.513 2.491 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1cc(Cl)ncc1Cl ZINC000121754677 543699358 /nfs/dbraw/zinc/69/93/58/543699358.db2.gz RZQHMMZIOCQDOE-UHFFFAOYSA-N 1 2 357.241 2.076 20 30 FEEDLO CN(Cc1[nH+]ccn1C)C(=O)C(=O)Nc1ccccc1C#Cc1ccccc1 ZINC000119694748 543670748 /nfs/dbraw/zinc/67/07/48/543670748.db2.gz NCUPYRYXYIQGSK-UHFFFAOYSA-N 1 2 372.428 2.417 20 30 FEEDLO CN(Cc1[nH+]ccn1C)C(=O)C(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC000119715886 543671312 /nfs/dbraw/zinc/67/13/12/543671312.db2.gz ICADHVYUVKLWNR-UHFFFAOYSA-N 1 2 372.428 2.417 20 30 FEEDLO C=CCNC(=O)CN1CC[NH+](Cc2cnc(-c3ccsc3)s2)CC1 ZINC000122230573 543705155 /nfs/dbraw/zinc/70/51/55/543705155.db2.gz DSVUFXWTMIIURB-UHFFFAOYSA-N 1 2 362.524 2.291 20 30 FEEDLO N#Cc1cccc(S(=O)(=O)NCCNc2ccc3ccccc3[nH+]2)c1 ZINC000123524927 543767349 /nfs/dbraw/zinc/76/73/49/543767349.db2.gz CRWBTTMMKSMCKA-UHFFFAOYSA-N 1 2 352.419 2.497 20 30 FEEDLO N#Cc1cc(F)c(S(=O)(=O)N2CCC(n3cc[nH+]c3)CC2)c(F)c1 ZINC000124809943 543844038 /nfs/dbraw/zinc/84/40/38/543844038.db2.gz GKCJSGTYHQAVBQ-UHFFFAOYSA-N 1 2 352.366 2.059 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+](C)CC(=O)NC2CC2)c1 ZINC000127017129 543968419 /nfs/dbraw/zinc/96/84/19/543968419.db2.gz NGCHUYHJKYXBBT-INIZCTEOSA-N 1 2 356.470 2.149 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+](C)CC(=O)NC2CC2)c1 ZINC000127017129 543968423 /nfs/dbraw/zinc/96/84/23/543968423.db2.gz NGCHUYHJKYXBBT-INIZCTEOSA-N 1 2 356.470 2.149 20 30 FEEDLO COc1cccc(C(=O)N2CC[NH+](C[C@H](O)c3ccc(C#N)cc3)CC2)c1 ZINC000127009017 543967872 /nfs/dbraw/zinc/96/78/72/543967872.db2.gz IZOIOGNBAPDDLT-FQEVSTJZSA-N 1 2 365.433 2.058 20 30 FEEDLO N#Cc1ccc([C@H](O)C[NH+]2CCN(C(=O)c3ccc(F)cc3F)CC2)cc1 ZINC000127394377 543990436 /nfs/dbraw/zinc/99/04/36/543990436.db2.gz KUMHCXCKOMSXKC-LJQANCHMSA-N 1 2 371.387 2.328 20 30 FEEDLO CCC(=O)N[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000130476882 544152549 /nfs/dbraw/zinc/15/25/49/544152549.db2.gz ZSIVHHXGALDNKQ-DLBZAZTESA-N 1 2 356.470 2.312 20 30 FEEDLO CCC(=O)N[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000130476882 544152550 /nfs/dbraw/zinc/15/25/50/544152550.db2.gz ZSIVHHXGALDNKQ-DLBZAZTESA-N 1 2 356.470 2.312 20 30 FEEDLO N#Cc1cnc2ccccc2c1N1CC[NH+](Cc2cn3cccnc3n2)CC1 ZINC000130843872 544167315 /nfs/dbraw/zinc/16/73/15/544167315.db2.gz DGQXLJHCXDJKRU-UHFFFAOYSA-N 1 2 369.432 2.471 20 30 FEEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000132838353 544245489 /nfs/dbraw/zinc/24/54/89/544245489.db2.gz IFFKYZRRNRTAFW-CZUORRHYSA-N 1 2 358.442 2.484 20 30 FEEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000132838353 544245490 /nfs/dbraw/zinc/24/54/90/544245490.db2.gz IFFKYZRRNRTAFW-CZUORRHYSA-N 1 2 358.442 2.484 20 30 FEEDLO N#C[C@H](NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccccc1F ZINC000132738617 544242026 /nfs/dbraw/zinc/24/20/26/544242026.db2.gz PSUZEPXZLNGQCE-OALUTQOASA-N 1 2 353.397 2.408 20 30 FEEDLO N#C[C@H](NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccccc1F ZINC000132738617 544242028 /nfs/dbraw/zinc/24/20/28/544242028.db2.gz PSUZEPXZLNGQCE-OALUTQOASA-N 1 2 353.397 2.408 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1cncc(-c2ccccc2)c1 ZINC000135210010 544338297 /nfs/dbraw/zinc/33/82/97/544338297.db2.gz FDJSJHBMQFIPTA-UHFFFAOYSA-N 1 2 364.449 2.437 20 30 FEEDLO COCCN(C[C@H](O)COc1ccc(C#N)cc1)c1[nH]c2ccccc2[nH+]1 ZINC000151967865 544601626 /nfs/dbraw/zinc/60/16/26/544601626.db2.gz OAKMEYSLVJLKPR-INIZCTEOSA-N 1 2 366.421 2.327 20 30 FEEDLO CC[C@H](C#N)Oc1cc(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)ccc1OC ZINC000152597093 544672652 /nfs/dbraw/zinc/67/26/52/544672652.db2.gz XXGVPZNDAWIDLM-DOTOQJQBSA-N 1 2 368.437 2.451 20 30 FEEDLO COc1cc(/C=C/C(=O)NC[C@H](C)Cn2cc[nH+]c2)ccc1OCC#N ZINC000153632504 544800284 /nfs/dbraw/zinc/80/02/84/544800284.db2.gz UYCHMQYLODUAOQ-DRDHIDPGSA-N 1 2 354.410 2.260 20 30 FEEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN(C(=O)Cc2ccccc2C)CC1 ZINC000155125321 544993237 /nfs/dbraw/zinc/99/32/37/544993237.db2.gz UFAGOLKQFMZABL-LJQANCHMSA-N 1 2 371.525 2.495 20 30 FEEDLO Cc1oc(NC(=O)[C@@H](C)[NH+]2CCC(CC(=O)N(C)C)CC2)c(C#N)c1C ZINC000182168685 327763735 /nfs/dbraw/zinc/76/37/35/327763735.db2.gz JSIYZOKDUBDUCU-CYBMUJFWSA-N 1 2 360.458 2.285 20 30 FEEDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000184771461 327882813 /nfs/dbraw/zinc/88/28/13/327882813.db2.gz WYQHOXFTVYQNNB-AWEZNQCLSA-N 1 2 368.462 2.464 20 30 FEEDLO N#Cc1ccc(N2CC[NH+](CC(=O)N3CCC[C@H]4CCCC[C@H]43)CC2)nc1 ZINC000193771884 328394399 /nfs/dbraw/zinc/39/43/99/328394399.db2.gz JVWLGSYOURJOQK-RTBURBONSA-N 1 2 367.497 2.256 20 30 FEEDLO N#Cc1ccc(NCC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000078503848 325048714 /nfs/dbraw/zinc/04/87/14/325048714.db2.gz VICOUQUPIZJZPJ-UHFFFAOYSA-N 1 2 350.422 2.441 20 30 FEEDLO COC(=O)[C@@H](NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc(C#N)c1 ZINC000083029770 325210964 /nfs/dbraw/zinc/21/09/64/325210964.db2.gz IYBAMOHNODLOOS-DAYGRLMNSA-N 1 2 359.470 2.250 20 30 FEEDLO COC(=O)[C@@H](NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc(C#N)c1 ZINC000083029770 325210966 /nfs/dbraw/zinc/21/09/66/325210966.db2.gz IYBAMOHNODLOOS-DAYGRLMNSA-N 1 2 359.470 2.250 20 30 FEEDLO CCCCNC(=O)C1CC[NH+]([C@@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000083168531 325214432 /nfs/dbraw/zinc/21/44/32/325214432.db2.gz CLZXOIHTGGQVGQ-MRXNPFEDSA-N 1 2 374.510 2.353 20 30 FEEDLO Cc1oc(NC(=O)C[NH+]2CCC(OC[C@@H]3CCCO3)CC2)c(C#N)c1C ZINC000083405935 325217433 /nfs/dbraw/zinc/21/74/33/325217433.db2.gz SUKOLCKLRJQQGU-INIZCTEOSA-N 1 2 361.442 2.367 20 30 FEEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cc(-c2ccccc2)n[nH]1 ZINC000091936920 325398691 /nfs/dbraw/zinc/39/86/91/325398691.db2.gz GRWGFLWWCPRPEY-OAHLLOKOSA-N 1 2 359.437 2.449 20 30 FEEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cc(-c2ccccc2)n[nH]1 ZINC000091936920 325398692 /nfs/dbraw/zinc/39/86/92/325398692.db2.gz GRWGFLWWCPRPEY-OAHLLOKOSA-N 1 2 359.437 2.449 20 30 FEEDLO Cc1cccc([C@H](CNC(=O)c2ccc(C#N)cn2)[NH+]2CCOCC2)c1 ZINC000107449881 325628459 /nfs/dbraw/zinc/62/84/59/325628459.db2.gz XBLPGUXXOOHLSI-IBGZPJMESA-N 1 2 350.422 2.065 20 30 FEEDLO C[NH+]1CCN(C(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CC1 ZINC000109034789 325656456 /nfs/dbraw/zinc/65/64/56/325656456.db2.gz IVOORYHHFMMQIO-UHFFFAOYSA-N 1 2 364.405 2.063 20 30 FEEDLO CSc1[nH]c(=O)c(C(=O)NC[C@H]2CCCC[N@@H+]2CC(C)C)cc1C#N ZINC000121078959 326311796 /nfs/dbraw/zinc/31/17/96/326311796.db2.gz AMXODFBUHYUJQK-CQSZACIVSA-N 1 2 362.499 2.209 20 30 FEEDLO CSc1[nH]c(=O)c(C(=O)NC[C@H]2CCCC[N@H+]2CC(C)C)cc1C#N ZINC000121078959 326311797 /nfs/dbraw/zinc/31/17/97/326311797.db2.gz AMXODFBUHYUJQK-CQSZACIVSA-N 1 2 362.499 2.209 20 30 FEEDLO C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)C[C@H]1n1cc[nH+]c1 ZINC000151420154 326682031 /nfs/dbraw/zinc/68/20/31/326682031.db2.gz RBJZDHJSRXMVSI-MLGOLLRUSA-N 1 2 371.828 2.456 20 30 FEEDLO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CC[NH+](CCO)CC2)cc1 ZINC000155744985 326802646 /nfs/dbraw/zinc/80/26/46/326802646.db2.gz LAXRWGWXCWTNLH-UHFFFAOYSA-N 1 2 365.433 2.409 20 30 FEEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)c1occc1COc1cccc(C#N)c1 ZINC000170667790 327092517 /nfs/dbraw/zinc/09/25/17/327092517.db2.gz HEFIELUJLHSKBD-HNNXBMFYSA-N 1 2 369.421 2.181 20 30 FEEDLO N#Cc1cccc(OCC[NH+]2CCN(CC(=O)NC3CCCCC3)CC2)c1 ZINC000171393275 327136778 /nfs/dbraw/zinc/13/67/78/327136778.db2.gz RWPWQHCNOVHESF-UHFFFAOYSA-N 1 2 370.497 2.004 20 30 FEEDLO N#Cc1cc(S(=O)(=O)N2CCC[C@H]2Cn2cc[nH+]c2)ccc1Cl ZINC000173731190 327279692 /nfs/dbraw/zinc/27/96/92/327279692.db2.gz VZABKDJKXJQDFK-ZDUSSCGKSA-N 1 2 350.831 2.261 20 30 FEEDLO COC(=O)[C@H](c1ccccc1)[N@H+](C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000265488162 329132158 /nfs/dbraw/zinc/13/21/58/329132158.db2.gz JPFFHBGOMOXECW-HKUYNNGSSA-N 1 2 354.406 2.144 20 30 FEEDLO COC(=O)[C@H](c1ccccc1)[N@@H+](C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000265488162 329132159 /nfs/dbraw/zinc/13/21/59/329132159.db2.gz JPFFHBGOMOXECW-HKUYNNGSSA-N 1 2 354.406 2.144 20 30 FEEDLO CCc1cc(=O)[nH]c(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)n1 ZINC000268266872 329402979 /nfs/dbraw/zinc/40/29/79/329402979.db2.gz YXVMTARCFCWECE-UHFFFAOYSA-N 1 2 365.437 2.467 20 30 FEEDLO CO[C@H](C)c1noc(C[N@@H+]2CCCN(c3cc(C#N)cc(C)n3)CC2)n1 ZINC000367264047 330237763 /nfs/dbraw/zinc/23/77/63/330237763.db2.gz IWERMSLSQVCHMS-CQSZACIVSA-N 1 2 356.430 2.064 20 30 FEEDLO CO[C@H](C)c1noc(C[N@H+]2CCCN(c3cc(C#N)cc(C)n3)CC2)n1 ZINC000367264047 330237765 /nfs/dbraw/zinc/23/77/65/330237765.db2.gz IWERMSLSQVCHMS-CQSZACIVSA-N 1 2 356.430 2.064 20 30 FEEDLO C[C@H](NC(=O)N[C@H]1CCCc2cc(C#N)ccc21)[C@H](C)[NH+]1CCOCC1 ZINC000416696696 330261146 /nfs/dbraw/zinc/26/11/46/330261146.db2.gz VRKYPITVBDHIHZ-DOXZYTNZSA-N 1 2 356.470 2.344 20 30 FEEDLO C#C[C@@H](NC(=O)N[C@H](C)C[NH+]1CCOCC1)c1ccc(Cl)cc1F ZINC000804915599 674306336 /nfs/dbraw/zinc/30/63/36/674306336.db2.gz AVUPEVVUEUVBAC-MLGOLLRUSA-N 1 2 353.825 2.173 20 30 FEEDLO Cc1nc(C[N@@H+](C)[C@H]2CCCN(C(=O)c3sccc3C#N)CC2)no1 ZINC000328631754 534346586 /nfs/dbraw/zinc/34/65/86/534346586.db2.gz KVVQSSVABUQXOE-AWEZNQCLSA-N 1 2 359.455 2.438 20 30 FEEDLO Cc1nc(C[N@H+](C)[C@H]2CCCN(C(=O)c3sccc3C#N)CC2)no1 ZINC000328631754 534346595 /nfs/dbraw/zinc/34/65/95/534346595.db2.gz KVVQSSVABUQXOE-AWEZNQCLSA-N 1 2 359.455 2.438 20 30 FEEDLO CCN(C(=O)C[N@@H+]1CCN(c2nccnc2C#N)C[C@@H]1C)C1CCCCC1 ZINC000155634974 545552198 /nfs/dbraw/zinc/55/21/98/545552198.db2.gz IPZOETQOJIQFFX-INIZCTEOSA-N 1 2 370.501 2.040 20 30 FEEDLO CCN(C(=O)C[N@H+]1CCN(c2nccnc2C#N)C[C@@H]1C)C1CCCCC1 ZINC000155634974 545552199 /nfs/dbraw/zinc/55/21/99/545552199.db2.gz IPZOETQOJIQFFX-INIZCTEOSA-N 1 2 370.501 2.040 20 30 FEEDLO Cc1nc(N2CC[NH+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC2)sc1C ZINC000157466641 545744993 /nfs/dbraw/zinc/74/49/93/545744993.db2.gz LRIZPSBTLFCYQD-KDOFPFPSSA-N 1 2 363.531 2.325 20 30 FEEDLO CC(C)C(=O)NCC[N@H+](C)[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000157658000 545766674 /nfs/dbraw/zinc/76/66/74/545766674.db2.gz VJTPQHBQNJRWFQ-HNNXBMFYSA-N 1 2 362.449 2.165 20 30 FEEDLO CC(C)C(=O)NCC[N@@H+](C)[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000157658000 545766678 /nfs/dbraw/zinc/76/66/78/545766678.db2.gz VJTPQHBQNJRWFQ-HNNXBMFYSA-N 1 2 362.449 2.165 20 30 FEEDLO N#CCCN(CC(=O)N1CC[NH+](Cc2ccsc2)CC1)Cc1ccco1 ZINC000478027573 561158409 /nfs/dbraw/zinc/15/84/09/561158409.db2.gz ROLAQXUEGRKPSI-UHFFFAOYSA-N 1 2 372.494 2.401 20 30 FEEDLO COc1ccc(S(=O)(=O)N2CC[NH+](CC(C)(C)CCC#N)CC2)cc1 ZINC000159277719 545938851 /nfs/dbraw/zinc/93/88/51/545938851.db2.gz ODFALZGJOAKLAJ-UHFFFAOYSA-N 1 2 365.499 2.331 20 30 FEEDLO COc1cccc([C@H](C)N2CC[NH+]([C@H](C)C(=O)N(C)CCC#N)CC2)c1 ZINC000171705973 546219734 /nfs/dbraw/zinc/21/97/34/546219734.db2.gz NOPLQDNFRSEZDO-DLBZAZTESA-N 1 2 358.486 2.134 20 30 FEEDLO COc1ccccc1C[NH+]1CCN(C(=O)Nc2ccn(CCC#N)n2)CC1 ZINC000173344904 546278873 /nfs/dbraw/zinc/27/88/73/546278873.db2.gz QJNAKAJDVBLFJP-UHFFFAOYSA-N 1 2 368.441 2.155 20 30 FEEDLO C[C@@]([NH2+]CC(=O)Nc1cccc(C#N)c1)(C(N)=O)c1cccc(Cl)c1 ZINC000177398448 546609885 /nfs/dbraw/zinc/60/98/85/546609885.db2.gz IXDJXPVMGHHDAG-SFHVURJKSA-N 1 2 356.813 2.140 20 30 FEEDLO CC(C)N1CC[C@@H](O[NH+]=C(N)c2ccc(OCc3cccnc3)cc2)C1=O ZINC000177571402 546646574 /nfs/dbraw/zinc/64/65/74/546646574.db2.gz PFPRRVIBXUSVQB-GOSISDBHSA-N 1 2 368.437 2.307 20 30 FEEDLO C=CCCC[C@@H](C)NC(=O)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000481250594 561228926 /nfs/dbraw/zinc/22/89/26/561228926.db2.gz KMOVPRZBTWFWRE-CQSZACIVSA-N 1 2 358.417 2.489 20 30 FEEDLO CC(=O)N[C@@H](C)C1CC[NH+](CC(=O)Nc2cc(Cl)ccc2C#N)CC1 ZINC000481132216 561225844 /nfs/dbraw/zinc/22/58/44/561225844.db2.gz BXINUTGBONLHNU-LBPRGKRZSA-N 1 2 362.861 2.387 20 30 FEEDLO C=CC[N@@H+](Cc1cn(C)nc1-c1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000179819630 547017251 /nfs/dbraw/zinc/01/72/51/547017251.db2.gz DHQDBGPQPNSSHG-AWEZNQCLSA-N 1 2 351.497 2.324 20 30 FEEDLO C=CC[N@H+](Cc1cn(C)nc1-c1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000179819630 547017253 /nfs/dbraw/zinc/01/72/53/547017253.db2.gz DHQDBGPQPNSSHG-AWEZNQCLSA-N 1 2 351.497 2.324 20 30 FEEDLO CCOc1ccc(C#N)cc1NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000180081938 547049054 /nfs/dbraw/zinc/04/90/54/547049054.db2.gz LMLRUMFVQIKKQI-INIZCTEOSA-N 1 2 358.442 2.285 20 30 FEEDLO C[C@@H]1C[NH+]=C(N2CCN(C(=O)c3ccc(C4(C#N)CC4)cc3)CC2)S1 ZINC000180467598 547111309 /nfs/dbraw/zinc/11/13/09/547111309.db2.gz FQTOWULDWDHXDK-CQSZACIVSA-N 1 2 354.479 2.491 20 30 FEEDLO CCOC(=O)CC[N@H+](CC(=O)NC1(C#N)CCCCC1)Cc1cccnc1 ZINC000180599006 547138603 /nfs/dbraw/zinc/13/86/03/547138603.db2.gz ISVLCRJOFCEXCL-UHFFFAOYSA-N 1 2 372.469 2.179 20 30 FEEDLO CCOC(=O)CC[N@@H+](CC(=O)NC1(C#N)CCCCC1)Cc1cccnc1 ZINC000180599006 547138608 /nfs/dbraw/zinc/13/86/08/547138608.db2.gz ISVLCRJOFCEXCL-UHFFFAOYSA-N 1 2 372.469 2.179 20 30 FEEDLO C[C@](C#N)(NC(=O)C[NH2+][C@@H](CO)c1c(Cl)cccc1Cl)C1CC1 ZINC000483225501 561271282 /nfs/dbraw/zinc/27/12/82/561271282.db2.gz HYEPWQUHJTWZKL-XJKSGUPXSA-N 1 2 356.253 2.425 20 30 FEEDLO Cc1sc(NC(=O)C[NH+]2CCC(CC(=O)N(C)C)CC2)c(C#N)c1C ZINC000182208884 547453856 /nfs/dbraw/zinc/45/38/56/547453856.db2.gz DSZVWKNXPOFYNX-UHFFFAOYSA-N 1 2 362.499 2.365 20 30 FEEDLO C=CCC[C@@H](O)C[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@H]1c1cnn(C)c1 ZINC000184028994 547757935 /nfs/dbraw/zinc/75/79/35/547757935.db2.gz VYUUHQIWONOQRS-SJORKVTESA-N 1 2 364.490 2.341 20 30 FEEDLO C=CCC[C@@H](O)C[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@H]1c1cnn(C)c1 ZINC000184028994 547757941 /nfs/dbraw/zinc/75/79/41/547757941.db2.gz VYUUHQIWONOQRS-SJORKVTESA-N 1 2 364.490 2.341 20 30 FEEDLO N#Cc1ccc(CN2CCN(C(=O)c3cc(-n4cc[nH+]c4)ccn3)CC2)cc1 ZINC000485014557 561310449 /nfs/dbraw/zinc/31/04/49/561310449.db2.gz DRZBODLECAMNEQ-UHFFFAOYSA-N 1 2 372.432 2.097 20 30 FEEDLO COc1cc(N2CC[NH+](Cc3ccc(C#N)o3)CC2)cc(OC)c1OC ZINC000184753978 547875197 /nfs/dbraw/zinc/87/51/97/547875197.db2.gz SBSCXYGEMUBZEA-UHFFFAOYSA-N 1 2 357.410 2.499 20 30 FEEDLO C=CCOc1ccccc1CNC(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000184995657 547914152 /nfs/dbraw/zinc/91/41/52/547914152.db2.gz QGZVDNYLZBHQDN-UHFFFAOYSA-N 1 2 367.453 2.382 20 30 FEEDLO C#CCOc1ccccc1NC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000188108555 548271244 /nfs/dbraw/zinc/27/12/44/548271244.db2.gz ILEIQXXSEIMSCI-QGZVFWFLSA-N 1 2 357.454 2.417 20 30 FEEDLO C=CC[C@H](C(=O)NCC[NH+]1CCN(c2ncccn2)CC1)c1ccccc1 ZINC000188426638 548278766 /nfs/dbraw/zinc/27/87/66/548278766.db2.gz SQNNRPYVECQOKT-IBGZPJMESA-N 1 2 365.481 2.075 20 30 FEEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000189666589 548307326 /nfs/dbraw/zinc/30/73/26/548307326.db2.gz ZTLRJLPMGZXXRV-HNNXBMFYSA-N 1 2 370.501 2.140 20 30 FEEDLO C=C[C@](C)(CC)C(=O)Nc1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC000190996757 548339252 /nfs/dbraw/zinc/33/92/52/548339252.db2.gz RQWKJDJEJAHDRP-GOSISDBHSA-N 1 2 365.499 2.164 20 30 FEEDLO COc1ccc2c(c1NC(=O)N(CCC#N)CC[NH+]1CCOCC1)CCC2 ZINC000191327327 548344321 /nfs/dbraw/zinc/34/43/21/548344321.db2.gz OFFUHIJKCYDQPW-UHFFFAOYSA-N 1 2 372.469 2.264 20 30 FEEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN(C(=O)NC2CCCCC2)CC1 ZINC000192633198 548368815 /nfs/dbraw/zinc/36/88/15/548368815.db2.gz GWTWTMNGYURXJM-KRWDZBQOSA-N 1 2 362.518 2.235 20 30 FEEDLO C=CCc1ccccc1OC[C@@H](O)C[NH+]1CCC(S(=O)(=O)CC)CC1 ZINC000193262834 548383775 /nfs/dbraw/zinc/38/37/75/548383775.db2.gz IZVHFABKTDAPND-KRWDZBQOSA-N 1 2 367.511 2.054 20 30 FEEDLO COc1cc(OCC(=O)N2CC[NH+](Cc3cccs3)CC2)ccc1C#N ZINC000195090192 548574597 /nfs/dbraw/zinc/57/45/97/548574597.db2.gz HPGOZONTTVWYRL-UHFFFAOYSA-N 1 2 371.462 2.352 20 30 FEEDLO C[C@@H]1CN(CC[N@H+](C)Cc2nnc(-c3ccc(C#N)cc3)o2)C[C@H](C)O1 ZINC000195314632 548620284 /nfs/dbraw/zinc/62/02/84/548620284.db2.gz RTLGZRHRJJCCOC-GASCZTMLSA-N 1 2 355.442 2.149 20 30 FEEDLO C[C@@H]1CN(CC[N@@H+](C)Cc2nnc(-c3ccc(C#N)cc3)o2)C[C@H](C)O1 ZINC000195314632 548620285 /nfs/dbraw/zinc/62/02/85/548620285.db2.gz RTLGZRHRJJCCOC-GASCZTMLSA-N 1 2 355.442 2.149 20 30 FEEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCN2C(=O)N(CC(C)C)C[C@H]2C1 ZINC000488728902 561395668 /nfs/dbraw/zinc/39/56/68/561395668.db2.gz YMUUDTBAMQQBJG-QGZVFWFLSA-N 1 2 372.469 2.023 20 30 FEEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCN2C(=O)N(CC(C)C)C[C@H]2C1 ZINC000488728902 561395669 /nfs/dbraw/zinc/39/56/69/561395669.db2.gz YMUUDTBAMQQBJG-QGZVFWFLSA-N 1 2 372.469 2.023 20 30 FEEDLO Cc1oc(NC(=O)[C@H](C)N2CCCC[C@H]2C[NH+]2CCOCC2)c(C#N)c1C ZINC000246729345 549198212 /nfs/dbraw/zinc/19/82/12/549198212.db2.gz VTZBAIJYLIKTIH-RDJZCZTQSA-N 1 2 374.485 2.282 20 30 FEEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCCC[C@H]2CN2CCOCC2)c(C#N)c1C ZINC000246729345 549198217 /nfs/dbraw/zinc/19/82/17/549198217.db2.gz VTZBAIJYLIKTIH-RDJZCZTQSA-N 1 2 374.485 2.282 20 30 FEEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CCCC[C@H]2CN2CCOCC2)c(C#N)c1C ZINC000246729345 549198221 /nfs/dbraw/zinc/19/82/21/549198221.db2.gz VTZBAIJYLIKTIH-RDJZCZTQSA-N 1 2 374.485 2.282 20 30 FEEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000246824128 549222035 /nfs/dbraw/zinc/22/20/35/549222035.db2.gz AFHLDQMKXNEWOL-ZBFHGGJFSA-N 1 2 374.510 2.429 20 30 FEEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000246824128 549222039 /nfs/dbraw/zinc/22/20/39/549222039.db2.gz AFHLDQMKXNEWOL-ZBFHGGJFSA-N 1 2 374.510 2.429 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)cc1F ZINC000489057985 561402491 /nfs/dbraw/zinc/40/24/91/561402491.db2.gz BWDVYYNBAUZIEN-MRXNPFEDSA-N 1 2 363.414 2.406 20 30 FEEDLO N#Cc1ccc(NC(=O)C(=O)NCCc2cn3ccccc3[nH+]2)c(Cl)c1 ZINC000490409810 561432580 /nfs/dbraw/zinc/43/25/80/561432580.db2.gz OUINXUQLVZCWEH-UHFFFAOYSA-N 1 2 367.796 2.157 20 30 FEEDLO C=CCn1c(=O)c2ccc(C(=O)N3CCC[C@@H]3C[NH+](C)C)cc2[nH]c1=S ZINC000263905296 549953854 /nfs/dbraw/zinc/95/38/54/549953854.db2.gz FZHHSFGDLNHASE-CQSZACIVSA-N 1 2 372.494 2.037 20 30 FEEDLO C#CCOc1cccc(NC(=O)NCc2cc[nH+]c(N3CCOCC3)c2)c1 ZINC000264490049 549996844 /nfs/dbraw/zinc/99/68/44/549996844.db2.gz ASMQDEROOJNPBR-UHFFFAOYSA-N 1 2 366.421 2.252 20 30 FEEDLO C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@H]2CCC[N@H+]2C)nc1C ZINC000264669847 549999825 /nfs/dbraw/zinc/99/98/25/549999825.db2.gz QWWXJAFFQBIMKC-SNVBAGLBSA-N 1 2 364.500 2.217 20 30 FEEDLO C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@H]2CCC[N@@H+]2C)nc1C ZINC000264669847 549999827 /nfs/dbraw/zinc/99/98/27/549999827.db2.gz QWWXJAFFQBIMKC-SNVBAGLBSA-N 1 2 364.500 2.217 20 30 FEEDLO C[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000264761534 550000957 /nfs/dbraw/zinc/00/09/57/550000957.db2.gz YHOVQXWIMNRPHQ-APWZRJJASA-N 1 2 374.872 2.186 20 30 FEEDLO C[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000264761534 550000959 /nfs/dbraw/zinc/00/09/59/550000959.db2.gz YHOVQXWIMNRPHQ-APWZRJJASA-N 1 2 374.872 2.186 20 30 FEEDLO COc1ccccc1CNC(=O)[C@@H](C)O[NH+]=C(N)[C@@H](C)OCC(C)C ZINC000266240164 550018476 /nfs/dbraw/zinc/01/84/76/550018476.db2.gz WZDPMRCTZZJZIS-ZIAGYGMSSA-N 1 2 351.447 2.050 20 30 FEEDLO C#CCOc1cc(F)ccc1NC(=O)N1CC[C@@H]([NH+]2CCN(CC)CC2)C1 ZINC000266400846 550020101 /nfs/dbraw/zinc/02/01/01/550020101.db2.gz MBWRKJQCCULUPU-QGZVFWFLSA-N 1 2 374.460 2.081 20 30 FEEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN(Cc2csc([C@@H](C)OCC)n2)CC1 ZINC000266575375 550021517 /nfs/dbraw/zinc/02/15/17/550021517.db2.gz FVRNDAXNOBRQCX-HUUCEWRRSA-N 1 2 366.531 2.049 20 30 FEEDLO Cn1c2ccccc2nc1[C@H]1CCC[N@@H+]1CC(=O)N(CCC#N)CCC#N ZINC000267606239 550033552 /nfs/dbraw/zinc/03/35/52/550033552.db2.gz WEPSOYKWADZWNQ-GOSISDBHSA-N 1 2 364.453 2.366 20 30 FEEDLO Cn1c2ccccc2nc1[C@H]1CCC[N@H+]1CC(=O)N(CCC#N)CCC#N ZINC000267606239 550033556 /nfs/dbraw/zinc/03/35/56/550033556.db2.gz WEPSOYKWADZWNQ-GOSISDBHSA-N 1 2 364.453 2.366 20 30 FEEDLO COc1ccc(C[NH+]2CCN(c3nccc(C#N)c3[N+](=O)[O-])CC2)cc1F ZINC000268494377 550076139 /nfs/dbraw/zinc/07/61/39/550076139.db2.gz OLZXAUUBYKZXLC-UHFFFAOYSA-N 1 2 371.372 2.331 20 30 FEEDLO N#Cc1ccc(NC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)c(Cl)c1 ZINC000269138471 550159762 /nfs/dbraw/zinc/15/97/62/550159762.db2.gz NHXOOZKFLAWACL-UHFFFAOYSA-N 1 2 374.832 2.384 20 30 FEEDLO N#Cc1ccc(Br)c(CN2CCN(Cc3[nH]cc[nH+]3)CC2)c1 ZINC000492792118 561452801 /nfs/dbraw/zinc/45/28/01/561452801.db2.gz SBWQXNLUXOTENA-UHFFFAOYSA-N 1 2 360.259 2.362 20 30 FEEDLO C=CCNC(=O)c1ccc(NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)nc1 ZINC000492911823 561453451 /nfs/dbraw/zinc/45/34/51/561453451.db2.gz NDEPDTOFBHZYPR-LJQANCHMSA-N 1 2 366.465 2.310 20 30 FEEDLO C=CCNC(=O)c1ccc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)nc1 ZINC000492911823 561453452 /nfs/dbraw/zinc/45/34/52/561453452.db2.gz NDEPDTOFBHZYPR-LJQANCHMSA-N 1 2 366.465 2.310 20 30 FEEDLO Cn1cc(C[N@H+](C)CC(=O)NCc2ccc(C#N)cc2)c(C(F)(F)F)n1 ZINC000269667581 550215335 /nfs/dbraw/zinc/21/53/35/550215335.db2.gz SYDGVITWJPNEMH-UHFFFAOYSA-N 1 2 365.359 2.059 20 30 FEEDLO Cn1cc(C[N@@H+](C)CC(=O)NCc2ccc(C#N)cc2)c(C(F)(F)F)n1 ZINC000269667581 550215336 /nfs/dbraw/zinc/21/53/36/550215336.db2.gz SYDGVITWJPNEMH-UHFFFAOYSA-N 1 2 365.359 2.059 20 30 FEEDLO CC(C)(C)Oc1cc[nH+]cc1NC(=O)CCNC(=O)C1N=CC=CC1=O ZINC000269950129 550238550 /nfs/dbraw/zinc/23/85/50/550238550.db2.gz VSLJKXQCQMXUNR-MSUUIHNZSA-N 1 2 358.398 2.114 20 30 FEEDLO CN(CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)Cc1[nH+]ccn1C ZINC000271038020 550334200 /nfs/dbraw/zinc/33/42/00/550334200.db2.gz SAIMWBFOLMVWIT-UHFFFAOYSA-N 1 2 364.371 2.039 20 30 FEEDLO C=CCN(CCc1ccco1)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000272237927 550430776 /nfs/dbraw/zinc/43/07/76/550430776.db2.gz AFEFTHQGQBXGMF-UHFFFAOYSA-N 1 2 373.457 2.071 20 30 FEEDLO CCN(C[C@H](C)C#N)C(=O)CN1CCc2c([nH+]cn2-c2ccc(F)cc2)C1 ZINC000272619220 550461198 /nfs/dbraw/zinc/46/11/98/550461198.db2.gz BMWMJROCHLQWDN-OAHLLOKOSA-N 1 2 369.444 2.378 20 30 FEEDLO C[C@H]1c2nncn2CC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000276851954 550603204 /nfs/dbraw/zinc/60/32/04/550603204.db2.gz SHTUJSOYJHIAQI-LBPRGKRZSA-N 1 2 370.482 2.495 20 30 FEEDLO C[C@H]1c2nncn2CC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000276851954 550603206 /nfs/dbraw/zinc/60/32/06/550603206.db2.gz SHTUJSOYJHIAQI-LBPRGKRZSA-N 1 2 370.482 2.495 20 30 FEEDLO N#CC1(NC(=O)C[N@H+]2CCC[C@@H](Oc3ncccc3F)C2)CCCCC1 ZINC000278853912 550829018 /nfs/dbraw/zinc/82/90/18/550829018.db2.gz MFWYTAIKQIXRQU-OAHLLOKOSA-N 1 2 360.433 2.407 20 30 FEEDLO N#CC1(NC(=O)C[N@@H+]2CCC[C@@H](Oc3ncccc3F)C2)CCCCC1 ZINC000278853912 550829020 /nfs/dbraw/zinc/82/90/20/550829020.db2.gz MFWYTAIKQIXRQU-OAHLLOKOSA-N 1 2 360.433 2.407 20 30 FEEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000278880012 550831956 /nfs/dbraw/zinc/83/19/56/550831956.db2.gz NBHUIUMONKQMHL-IFXJQAMLSA-N 1 2 372.494 2.231 20 30 FEEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000278880012 550831958 /nfs/dbraw/zinc/83/19/58/550831958.db2.gz NBHUIUMONKQMHL-IFXJQAMLSA-N 1 2 372.494 2.231 20 30 FEEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1cccc(C[NH+]2CCN(C(C)=O)CC2)c1 ZINC000278885775 550832529 /nfs/dbraw/zinc/83/25/29/550832529.db2.gz WURLSAAGOMHZTK-WOJBJXKFSA-N 1 2 371.481 2.270 20 30 FEEDLO C#CCn1ccc(C[N@@H+](CC)[C@H](C)C(=O)NC(=O)Nc2ccccc2)n1 ZINC000279657595 550913428 /nfs/dbraw/zinc/91/34/28/550913428.db2.gz CIRABGLXJPNWQJ-OAHLLOKOSA-N 1 2 353.426 2.075 20 30 FEEDLO C#CCn1ccc(C[N@H+](CC)[C@H](C)C(=O)NC(=O)Nc2ccccc2)n1 ZINC000279657595 550913430 /nfs/dbraw/zinc/91/34/30/550913430.db2.gz CIRABGLXJPNWQJ-OAHLLOKOSA-N 1 2 353.426 2.075 20 30 FEEDLO C=CC[N@@H+](C[C@@H](O)Cc1ccc2ccccc2c1)[C@@H]1CCS(=O)(=O)C1 ZINC000279688787 550916976 /nfs/dbraw/zinc/91/69/76/550916976.db2.gz HSHDGVKMGSMOQZ-UXHICEINSA-N 1 2 359.491 2.418 20 30 FEEDLO C=CC[N@H+](C[C@@H](O)Cc1ccc2ccccc2c1)[C@@H]1CCS(=O)(=O)C1 ZINC000279688787 550916977 /nfs/dbraw/zinc/91/69/77/550916977.db2.gz HSHDGVKMGSMOQZ-UXHICEINSA-N 1 2 359.491 2.418 20 30 FEEDLO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@H](C)[N@@H+]2Cc2cn3ccccc3c2C#N)O1 ZINC000282479492 551234694 /nfs/dbraw/zinc/23/46/94/551234694.db2.gz OOOUDOJZNJPYKY-CJODITQLSA-N 1 2 353.422 2.494 20 30 FEEDLO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@H](C)[N@H+]2Cc2cn3ccccc3c2C#N)O1 ZINC000282479492 551234697 /nfs/dbraw/zinc/23/46/97/551234697.db2.gz OOOUDOJZNJPYKY-CJODITQLSA-N 1 2 353.422 2.494 20 30 FEEDLO C#CC[NH+]1CCN(c2nnc(COCc3ccccc3)n2CC(C)C)CC1 ZINC000282922433 551285616 /nfs/dbraw/zinc/28/56/16/551285616.db2.gz FDKTZORRFOVCAN-UHFFFAOYSA-N 1 2 367.497 2.406 20 30 FEEDLO Cc1onc(CC(=O)NCc2ccc(N3CCC(C)CC3)[nH+]c2)c1C#N ZINC000498548244 561527794 /nfs/dbraw/zinc/52/77/94/561527794.db2.gz YNRWEINDQYBCQQ-UHFFFAOYSA-N 1 2 353.426 2.345 20 30 FEEDLO C=C(C)CCc1noc(CCC(=O)N2CCN(c3cccc[nH+]3)CC2)n1 ZINC000285029365 551692893 /nfs/dbraw/zinc/69/28/93/551692893.db2.gz FXCPFNVCURMCNW-UHFFFAOYSA-N 1 2 355.442 2.255 20 30 FEEDLO C=CCN(Cc1ccccc1)C(=O)C(=O)NCCCNc1cccc[nH+]1 ZINC000285197930 551719241 /nfs/dbraw/zinc/71/92/41/551719241.db2.gz NZPCGUKACVWOQQ-UHFFFAOYSA-N 1 2 352.438 2.215 20 30 FEEDLO C[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1c(F)cncc1F ZINC000285453725 551758939 /nfs/dbraw/zinc/75/89/39/551758939.db2.gz ADTIBOBOVWALLN-NSHDSACASA-N 1 2 351.378 2.356 20 30 FEEDLO C[C@@](C#N)(NC(=O)C[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1)C1CC1 ZINC000285453742 551758944 /nfs/dbraw/zinc/75/89/44/551758944.db2.gz JHLNKXWCXYAJCJ-FQEVSTJZSA-N 1 2 370.428 2.349 20 30 FEEDLO C=CCOc1ccccc1CNC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000286598601 551904582 /nfs/dbraw/zinc/90/45/82/551904582.db2.gz GVTJPGGMYRFXDY-WMZOPIPTSA-N 1 2 359.470 2.256 20 30 FEEDLO COCC[N@H+](CC(=O)N(CCC#N)c1ccccc1)Cc1ccccn1 ZINC000287387319 551997455 /nfs/dbraw/zinc/99/74/55/551997455.db2.gz NGNUQSNGJGDEGS-UHFFFAOYSA-N 1 2 352.438 2.477 20 30 FEEDLO COCC[N@@H+](CC(=O)N(CCC#N)c1ccccc1)Cc1ccccn1 ZINC000287387319 551997457 /nfs/dbraw/zinc/99/74/57/551997457.db2.gz NGNUQSNGJGDEGS-UHFFFAOYSA-N 1 2 352.438 2.477 20 30 FEEDLO N#Cc1ccccc1N1CCN(C(=O)C2CC[NH+](CC(F)F)CC2)CC1 ZINC000287513069 552014015 /nfs/dbraw/zinc/01/40/15/552014015.db2.gz UXDNZRAOMURWHH-UHFFFAOYSA-N 1 2 362.424 2.184 20 30 FEEDLO CCOc1ccc2cc(C(=O)N(CCC#N)CC[NH+]3CCOCC3)[nH]c2c1 ZINC000499342792 561549285 /nfs/dbraw/zinc/54/92/85/561549285.db2.gz BFUHUNGFBXLROR-UHFFFAOYSA-N 1 2 370.453 2.255 20 30 FEEDLO COc1ccc([C@@H](NC(=O)Cc2noc(C)c2C#N)c2[nH+]ccn2C)cc1 ZINC000499629415 561554867 /nfs/dbraw/zinc/55/48/67/561554867.db2.gz YHAWFUJKZSFWKZ-GOSISDBHSA-N 1 2 365.393 2.045 20 30 FEEDLO Cc1onc(CC(=O)NCc2cn3cc(Br)ccc3[nH+]2)c1C#N ZINC000499777813 561558313 /nfs/dbraw/zinc/55/83/13/561558313.db2.gz DQUZYSRAUUNNQU-UHFFFAOYSA-N 1 2 374.198 2.124 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)C(=O)Nc2cc(Cl)ccc2OC)C1=O ZINC000500024168 561564296 /nfs/dbraw/zinc/56/42/96/561564296.db2.gz KOHIKOAHQKJXMH-WFASDCNBSA-N 1 2 365.861 2.394 20 30 FEEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)C(=O)Nc2cc(Cl)ccc2OC)C1=O ZINC000500024168 561564297 /nfs/dbraw/zinc/56/42/97/561564297.db2.gz KOHIKOAHQKJXMH-WFASDCNBSA-N 1 2 365.861 2.394 20 30 FEEDLO C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1S(=O)(=O)c1ccc(C#N)nc1 ZINC000501177355 561591817 /nfs/dbraw/zinc/59/18/17/561591817.db2.gz RBQZXPXHFDWLFX-JKSUJKDBSA-N 1 2 370.478 2.237 20 30 FEEDLO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1S(=O)(=O)c1ccc(C#N)nc1 ZINC000501177355 561591818 /nfs/dbraw/zinc/59/18/18/561591818.db2.gz RBQZXPXHFDWLFX-JKSUJKDBSA-N 1 2 370.478 2.237 20 30 FEEDLO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1S(=O)(=O)c1ccc(C#N)nc1 ZINC000501177353 561591954 /nfs/dbraw/zinc/59/19/54/561591954.db2.gz RBQZXPXHFDWLFX-HZPDHXFCSA-N 1 2 370.478 2.237 20 30 FEEDLO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1S(=O)(=O)c1ccc(C#N)nc1 ZINC000501177353 561591955 /nfs/dbraw/zinc/59/19/55/561591955.db2.gz RBQZXPXHFDWLFX-HZPDHXFCSA-N 1 2 370.478 2.237 20 30 FEEDLO COc1ccc(CNc2cccc(C[N@@H+]3CCNC(=O)C3)c2)cc1C#N ZINC000291146318 552592986 /nfs/dbraw/zinc/59/29/86/552592986.db2.gz YXBPHHHAUQBSJO-UHFFFAOYSA-N 1 2 350.422 2.111 20 30 FEEDLO COc1ccc(CNc2cccc(C[N@H+]3CCNC(=O)C3)c2)cc1C#N ZINC000291146318 552592988 /nfs/dbraw/zinc/59/29/88/552592988.db2.gz YXBPHHHAUQBSJO-UHFFFAOYSA-N 1 2 350.422 2.111 20 30 FEEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cn3ccc(Br)cc3n2)C1=O ZINC000291653152 552647490 /nfs/dbraw/zinc/64/74/90/552647490.db2.gz USJSOEMGCDOYMS-CQSZACIVSA-N 1 2 363.259 2.316 20 30 FEEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cn3ccc(Br)cc3n2)C1=O ZINC000291653152 552647491 /nfs/dbraw/zinc/64/74/91/552647491.db2.gz USJSOEMGCDOYMS-CQSZACIVSA-N 1 2 363.259 2.316 20 30 FEEDLO N#Cc1ccc(O[C@H]2CC[N@@H+]([C@@H]3CCN(c4ccccc4F)C3=O)C2)nc1 ZINC000292121776 552696043 /nfs/dbraw/zinc/69/60/43/552696043.db2.gz IBAYOMMWPXLMEK-MAUKXSAKSA-N 1 2 366.396 2.351 20 30 FEEDLO N#Cc1ccc(O[C@H]2CC[N@H+]([C@@H]3CCN(c4ccccc4F)C3=O)C2)nc1 ZINC000292121776 552696045 /nfs/dbraw/zinc/69/60/45/552696045.db2.gz IBAYOMMWPXLMEK-MAUKXSAKSA-N 1 2 366.396 2.351 20 30 FEEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](CC(=O)Nc3ccc(F)cc3F)C2)nc1 ZINC000292178562 552701813 /nfs/dbraw/zinc/70/18/13/552701813.db2.gz MGYHMNDOFICMFZ-AWEZNQCLSA-N 1 2 358.348 2.323 20 30 FEEDLO N#Cc1ccc(O[C@H]2CC[N@H+](CC(=O)Nc3ccc(F)cc3F)C2)nc1 ZINC000292178562 552701815 /nfs/dbraw/zinc/70/18/15/552701815.db2.gz MGYHMNDOFICMFZ-AWEZNQCLSA-N 1 2 358.348 2.323 20 30 FEEDLO CC#CCN(C)C(=O)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000293521760 552832112 /nfs/dbraw/zinc/83/21/12/552832112.db2.gz RKXFUAIRLTWBFK-UHFFFAOYSA-N 1 2 350.422 2.307 20 30 FEEDLO N#C[C@H]1CC[C@H]([NH+]2CCN(S(=O)(=O)c3ccccc3Cl)CC2)C1 ZINC000293571103 552836327 /nfs/dbraw/zinc/83/63/27/552836327.db2.gz SSROLGKQFHNGCF-KBPBESRZSA-N 1 2 353.875 2.339 20 30 FEEDLO N#C[C@@H]1CC[C@@H]([NH+]2CCN(S(=O)(=O)c3ccccc3Cl)CC2)C1 ZINC000293571142 552836471 /nfs/dbraw/zinc/83/64/71/552836471.db2.gz SSROLGKQFHNGCF-ZIAGYGMSSA-N 1 2 353.875 2.339 20 30 FEEDLO C=CCn1c(=O)c2ccc(C(=O)N3C[C@@H](C)[N@H+](C)[C@@H](C)C3)cc2[nH]c1=S ZINC000294006779 552874660 /nfs/dbraw/zinc/87/46/60/552874660.db2.gz PFQVTLBMJYBZKC-BETUJISGSA-N 1 2 372.494 2.036 20 30 FEEDLO C=CCn1c(=O)c2ccc(C(=O)N3C[C@@H](C)[N@@H+](C)[C@@H](C)C3)cc2[nH]c1=S ZINC000294006779 552874662 /nfs/dbraw/zinc/87/46/62/552874662.db2.gz PFQVTLBMJYBZKC-BETUJISGSA-N 1 2 372.494 2.036 20 30 FEEDLO C[C@@H]1C[N@@H+](CCN(C)C(=O)c2cnc(C(F)(F)F)c(C#N)c2)C[C@H](C)O1 ZINC000294266705 552892519 /nfs/dbraw/zinc/89/25/19/552892519.db2.gz OFVNQGOHEGVJBZ-TXEJJXNPSA-N 1 2 370.375 2.153 20 30 FEEDLO C[C@@H]1C[N@H+](CCN(C)C(=O)c2cnc(C(F)(F)F)c(C#N)c2)C[C@H](C)O1 ZINC000294266705 552892521 /nfs/dbraw/zinc/89/25/21/552892521.db2.gz OFVNQGOHEGVJBZ-TXEJJXNPSA-N 1 2 370.375 2.153 20 30 FEEDLO C=CCOc1ccc(CC(=O)NCc2cc[nH+]c(N3CCOCC3)c2)cc1 ZINC000294359688 552900268 /nfs/dbraw/zinc/90/02/68/552900268.db2.gz MIPRPOBIISVQOT-UHFFFAOYSA-N 1 2 367.449 2.342 20 30 FEEDLO C[N@H+](CC(=O)c1cn(CCC#N)c2ccccc12)[C@@H]1CCN2CCO[C@H]1C2 ZINC000295056385 552954837 /nfs/dbraw/zinc/95/48/37/552954837.db2.gz AZAZYCBMILDCQA-CTNGQTDRSA-N 1 2 366.465 2.143 20 30 FEEDLO C[N@@H+](CC(=O)c1cn(CCC#N)c2ccccc12)[C@@H]1CCN2CCO[C@H]1C2 ZINC000295056385 552954838 /nfs/dbraw/zinc/95/48/38/552954838.db2.gz AZAZYCBMILDCQA-CTNGQTDRSA-N 1 2 366.465 2.143 20 30 FEEDLO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CC[S@@](=O)CC2(C)C)c(OC)c1 ZINC000502915008 561629841 /nfs/dbraw/zinc/62/98/41/561629841.db2.gz RWIKJZJZNLHLHW-PUAOIOHZSA-N 1 2 367.511 2.006 20 30 FEEDLO C=CCc1ccc(OC[C@H](O)C[N@H+]2CC[S@@](=O)CC2(C)C)c(OC)c1 ZINC000502915008 561629842 /nfs/dbraw/zinc/62/98/42/561629842.db2.gz RWIKJZJZNLHLHW-PUAOIOHZSA-N 1 2 367.511 2.006 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000503255480 561638068 /nfs/dbraw/zinc/63/80/68/561638068.db2.gz IBMHTGMJEIXVHC-JXFKEZNVSA-N 1 2 358.486 2.192 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000503255480 561638069 /nfs/dbraw/zinc/63/80/69/561638069.db2.gz IBMHTGMJEIXVHC-JXFKEZNVSA-N 1 2 358.486 2.192 20 30 FEEDLO C=CCN(CCc1ccco1)C(=O)C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000297889682 553353334 /nfs/dbraw/zinc/35/33/34/553353334.db2.gz VKGPVHVNSYYNAY-SJLPKXTDSA-N 1 2 370.453 2.143 20 30 FEEDLO Cc1nc(NCc2ccc(C[NH+]3CCS(=O)CC3)cc2)ccc1C#N ZINC000601178494 553356922 /nfs/dbraw/zinc/35/69/22/553356922.db2.gz SNTUZMKDQACSEX-UHFFFAOYSA-N 1 2 354.479 2.438 20 30 FEEDLO Cn1nc([C@@H]2CCC[N@@H+]2CCC(=O)Nc2ccc(C#N)c(Cl)c2)nc1N ZINC000298019567 553372044 /nfs/dbraw/zinc/37/20/44/553372044.db2.gz BBMCHDPUKHOWHZ-AWEZNQCLSA-N 1 2 373.848 2.088 20 30 FEEDLO Cn1nc([C@@H]2CCC[N@H+]2CCC(=O)Nc2ccc(C#N)c(Cl)c2)nc1N ZINC000298019567 553372047 /nfs/dbraw/zinc/37/20/47/553372047.db2.gz BBMCHDPUKHOWHZ-AWEZNQCLSA-N 1 2 373.848 2.088 20 30 FEEDLO COc1cc(C#N)ccc1C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000298063900 553379141 /nfs/dbraw/zinc/37/91/41/553379141.db2.gz KILADWMWGBOLDI-UHFFFAOYSA-N 1 2 353.382 2.192 20 30 FEEDLO N#Cc1ccsc1N1CC[C@H]([NH+]2CCC(c3ccncn3)CC2)C1=O ZINC000298541484 553437936 /nfs/dbraw/zinc/43/79/36/553437936.db2.gz XNKLOMPUUZUEDB-INIZCTEOSA-N 1 2 353.451 2.395 20 30 FEEDLO Cc1nc(C2([NH2+]C[C@@H](O)COc3ccc(C#N)cc3)CCCCC2)no1 ZINC000299283293 553541968 /nfs/dbraw/zinc/54/19/68/553541968.db2.gz WHRBPQMTUBUIDU-MRXNPFEDSA-N 1 2 356.426 2.439 20 30 FEEDLO N#Cc1ccc(N2CC[C@@H]([NH+]3CCC(O)(C(F)(F)F)CC3)C2=O)cc1 ZINC000299578263 553583895 /nfs/dbraw/zinc/58/38/95/553583895.db2.gz HMPCCABPNQSHQR-CQSZACIVSA-N 1 2 353.344 2.053 20 30 FEEDLO N#Cc1cc(N2CC[NH+]([C@H](C(N)=O)c3ccccc3)CC2)c2ccccc2n1 ZINC000301333500 553642778 /nfs/dbraw/zinc/64/27/78/553642778.db2.gz FIHOVMZLAVWDKJ-NRFANRHFSA-N 1 2 371.444 2.455 20 30 FEEDLO Cc1cc(NC(=O)NCc2ccccc2C[NH+]2CCOCC2)ncc1C#N ZINC000603119115 553712257 /nfs/dbraw/zinc/71/22/57/553712257.db2.gz KGPFXCXAGWFICR-UHFFFAOYSA-N 1 2 365.437 2.416 20 30 FEEDLO Cc1cc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)ncc1C#N ZINC000603119296 553712482 /nfs/dbraw/zinc/71/24/82/553712482.db2.gz XCRSKJIRKULULS-UHFFFAOYSA-N 1 2 360.421 2.483 20 30 FEEDLO C[N@@H+]1CCc2nc(NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)sc2C1 ZINC000505481598 561671745 /nfs/dbraw/zinc/67/17/45/561671745.db2.gz VEUIFPSZGQLFJS-QGZVFWFLSA-N 1 2 364.471 2.331 20 30 FEEDLO C[N@H+]1CCc2nc(NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)sc2C1 ZINC000505481598 561671746 /nfs/dbraw/zinc/67/17/46/561671746.db2.gz VEUIFPSZGQLFJS-QGZVFWFLSA-N 1 2 364.471 2.331 20 30 FEEDLO Cc1cc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)ccc1C#N ZINC000305860172 553748059 /nfs/dbraw/zinc/74/80/59/553748059.db2.gz AHPXORIMEARJQS-UHFFFAOYSA-N 1 2 355.463 2.373 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000328623045 553797576 /nfs/dbraw/zinc/79/75/76/553797576.db2.gz YPEFEHUSLBCUTG-INMHGKMJSA-N 1 2 364.490 2.007 20 30 FEEDLO O=C(CN1CCn2cc[nH+]c2C1)NC1CCN(C(=O)C2CCCCC2)CC1 ZINC000328663248 553804156 /nfs/dbraw/zinc/80/41/56/553804156.db2.gz XUUIWTQOBSFMAW-UHFFFAOYSA-N 1 2 373.501 2.227 20 30 FEEDLO COc1ccc(CN2CC[NH+](CC(=O)N[C@@H]3CCC[C@H](C)C3)CC2)nn1 ZINC000328675135 553805896 /nfs/dbraw/zinc/80/58/96/553805896.db2.gz KLYOOAWMFYVJOR-JKSUJKDBSA-N 1 2 361.490 2.138 20 30 FEEDLO C[C@@H]1COC[C@H](C)N1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000328801725 553824433 /nfs/dbraw/zinc/82/44/33/553824433.db2.gz ZMEZPTNQAIOXLY-VBQJREDUSA-N 1 2 362.474 2.493 20 30 FEEDLO C[C@@H]1COC[C@H](C)N1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000328801725 553824435 /nfs/dbraw/zinc/82/44/35/553824435.db2.gz ZMEZPTNQAIOXLY-VBQJREDUSA-N 1 2 362.474 2.493 20 30 FEEDLO CCO[C@@H]1C[C@H](NC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)C1(CC)CC ZINC000328855786 553833523 /nfs/dbraw/zinc/83/35/23/553833523.db2.gz CUFRYYOVJCSGCX-LUKYLMHMSA-N 1 2 353.507 2.289 20 30 FEEDLO CCO[C@@H]1C[C@H](NC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)C1(CC)CC ZINC000328855786 553833526 /nfs/dbraw/zinc/83/35/26/553833526.db2.gz CUFRYYOVJCSGCX-LUKYLMHMSA-N 1 2 353.507 2.289 20 30 FEEDLO C[N@@H+]1CCN(S(=O)(=O)c2cccc(C#N)c2)C[C@@H]1Cc1ccccc1 ZINC000328868767 553836069 /nfs/dbraw/zinc/83/60/69/553836069.db2.gz HJHXZTUQAAANLE-SFHVURJKSA-N 1 2 355.463 2.106 20 30 FEEDLO C[N@H+]1CCN(S(=O)(=O)c2cccc(C#N)c2)C[C@@H]1Cc1ccccc1 ZINC000328868767 553836071 /nfs/dbraw/zinc/83/60/71/553836071.db2.gz HJHXZTUQAAANLE-SFHVURJKSA-N 1 2 355.463 2.106 20 30 FEEDLO C=CCCc1ccccc1NC(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000505871980 561683499 /nfs/dbraw/zinc/68/34/99/561683499.db2.gz NLESAVQTBHMWRM-UHFFFAOYSA-N 1 2 364.449 2.488 20 30 FEEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)N[C@@H]3CCCOc4ccc(F)cc43)C[C@H]21 ZINC000328899889 553841305 /nfs/dbraw/zinc/84/13/05/553841305.db2.gz XUAAWNLQGNIECP-JFIYKMOQSA-N 1 2 363.433 2.358 20 30 FEEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)N[C@@H]3CCCOc4ccc(F)cc43)C[C@H]21 ZINC000328899889 553841307 /nfs/dbraw/zinc/84/13/07/553841307.db2.gz XUAAWNLQGNIECP-JFIYKMOQSA-N 1 2 363.433 2.358 20 30 FEEDLO CN1CC[N@H+](C)[C@@H](CNC(=O)NCc2ccc(OC3CCCC3)cc2)C1 ZINC000328901832 553841674 /nfs/dbraw/zinc/84/16/74/553841674.db2.gz ZOUGBHOJMVQWQX-KRWDZBQOSA-N 1 2 360.502 2.257 20 30 FEEDLO CN1CC[N@@H+](C)[C@@H](CNC(=O)NCc2ccc(OC3CCCC3)cc2)C1 ZINC000328901832 553841676 /nfs/dbraw/zinc/84/16/76/553841676.db2.gz ZOUGBHOJMVQWQX-KRWDZBQOSA-N 1 2 360.502 2.257 20 30 FEEDLO CN1CCO[C@@H]2CC[N@H+](CC(=O)Nc3ccc4c(c3)OC(F)(F)O4)C[C@@H]21 ZINC000328903643 553842163 /nfs/dbraw/zinc/84/21/63/553842163.db2.gz IDOJEKNWZQAZNV-QWHCGFSZSA-N 1 2 369.368 2.001 20 30 FEEDLO CN1CCO[C@@H]2CC[N@@H+](CC(=O)Nc3ccc4c(c3)OC(F)(F)O4)C[C@@H]21 ZINC000328903643 553842166 /nfs/dbraw/zinc/84/21/66/553842166.db2.gz IDOJEKNWZQAZNV-QWHCGFSZSA-N 1 2 369.368 2.001 20 30 FEEDLO C[N@@H+]1CCO[C@@H]2CCN(CC(=O)Nc3ccc4c(c3)OC(F)(F)O4)C[C@@H]21 ZINC000328903643 553842170 /nfs/dbraw/zinc/84/21/70/553842170.db2.gz IDOJEKNWZQAZNV-QWHCGFSZSA-N 1 2 369.368 2.001 20 30 FEEDLO C[N@H+]1CCO[C@@H]2CCN(CC(=O)Nc3ccc4c(c3)OC(F)(F)O4)C[C@@H]21 ZINC000328903643 553842172 /nfs/dbraw/zinc/84/21/72/553842172.db2.gz IDOJEKNWZQAZNV-QWHCGFSZSA-N 1 2 369.368 2.001 20 30 FEEDLO N#C[C@H]1N(C(=O)c2cc(-n3cc[nH+]c3)ccn2)CCC[C@]12CCCCO2 ZINC000328977328 553857178 /nfs/dbraw/zinc/85/71/78/553857178.db2.gz BZBMRWZUGKETCI-IEBWSBKVSA-N 1 2 351.410 2.335 20 30 FEEDLO C[C@H](Cc1c(F)cccc1F)NC(=O)C[N@@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C ZINC000328983487 553858706 /nfs/dbraw/zinc/85/87/06/553858706.db2.gz SLFZAIIOMWLKGQ-LYRGGWFBSA-N 1 2 366.412 2.155 20 30 FEEDLO C[C@H](Cc1c(F)cccc1F)NC(=O)C[N@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C ZINC000328983487 553858708 /nfs/dbraw/zinc/85/87/08/553858708.db2.gz SLFZAIIOMWLKGQ-LYRGGWFBSA-N 1 2 366.412 2.155 20 30 FEEDLO Cc1cnc([C@H](NC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)C2CC2)s1 ZINC000328989030 553859800 /nfs/dbraw/zinc/85/98/00/553859800.db2.gz FCJLCFDYYJNDIX-QLFBSQMISA-N 1 2 350.488 2.222 20 30 FEEDLO Cc1cnc([C@H](NC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)C2CC2)s1 ZINC000328989030 553859803 /nfs/dbraw/zinc/85/98/03/553859803.db2.gz FCJLCFDYYJNDIX-QLFBSQMISA-N 1 2 350.488 2.222 20 30 FEEDLO CNC(=O)[C@@H]1CCC[N@@H+]1CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000328995313 553861097 /nfs/dbraw/zinc/86/10/97/553861097.db2.gz JMAOUPLCNLYWPJ-HOTGVXAUSA-N 1 2 373.453 2.172 20 30 FEEDLO CNC(=O)[C@@H]1CCC[N@H+]1CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000328995313 553861099 /nfs/dbraw/zinc/86/10/99/553861099.db2.gz JMAOUPLCNLYWPJ-HOTGVXAUSA-N 1 2 373.453 2.172 20 30 FEEDLO O=C(C[N@@H+]1CCO[C@]2(CCCOC2)C1)NCCOc1ccc(F)cc1 ZINC000329083338 553877642 /nfs/dbraw/zinc/87/76/42/553877642.db2.gz SRDNRLSMUNFEQG-GOSISDBHSA-N 1 2 352.406 2.042 20 30 FEEDLO O=C(C[N@H+]1CCO[C@]2(CCCOC2)C1)NCCOc1ccc(F)cc1 ZINC000329083338 553877644 /nfs/dbraw/zinc/87/76/44/553877644.db2.gz SRDNRLSMUNFEQG-GOSISDBHSA-N 1 2 352.406 2.042 20 30 FEEDLO C[C@H](NC(=O)[C@@H]1CSCN1C(=O)CC(C)(C)C)[C@H](C)[NH+]1CCOCC1 ZINC000329131894 553886454 /nfs/dbraw/zinc/88/64/54/553886454.db2.gz AKVFDCJWAQJZNA-KKUMJFAQSA-N 1 2 371.547 2.390 20 30 FEEDLO O=C(CN1CCCC[C@H]1C[NH+]1CCOCC1)Nc1ccc2c(c1)OCO2 ZINC000329236856 553908207 /nfs/dbraw/zinc/90/82/07/553908207.db2.gz OQBCDVWDZFFBTF-INIZCTEOSA-N 1 2 361.442 2.190 20 30 FEEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)Nc2cccc3c2OCO3)CC1 ZINC000329259483 553912830 /nfs/dbraw/zinc/91/28/30/553912830.db2.gz AOOMBWSAEJBGTD-GFCCVEGCSA-N 1 2 360.414 2.086 20 30 FEEDLO C[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000329278078 553915911 /nfs/dbraw/zinc/91/59/11/553915911.db2.gz LCZPQMUFJFRTGG-ZBFHGGJFSA-N 1 2 359.474 2.183 20 30 FEEDLO O=C(NCc1cn2cc(Cl)ccc2[nH+]1)N1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000329289042 553918308 /nfs/dbraw/zinc/91/83/08/553918308.db2.gz QGPKPUNSXSYGHO-CABCVRRESA-N 1 2 364.833 2.282 20 30 FEEDLO CCO[C@@H]1C[C@](O)(CNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1(C)C ZINC000329312143 553923068 /nfs/dbraw/zinc/92/30/68/553923068.db2.gz GJOCSWDTUXLTII-FCEWJHQRSA-N 1 2 354.491 2.152 20 30 FEEDLO CCO[C@@H]1C[C@](O)(CNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1(C)C ZINC000329312143 553923073 /nfs/dbraw/zinc/92/30/73/553923073.db2.gz GJOCSWDTUXLTII-FCEWJHQRSA-N 1 2 354.491 2.152 20 30 FEEDLO COCCn1cc2c(n1)[C@H](NC(=O)[C@@H](C)[NH+]1CCSCC1)CCC2 ZINC000329333459 553927232 /nfs/dbraw/zinc/92/72/32/553927232.db2.gz KFIDRKPILUQFFQ-UKRRQHHQSA-N 1 2 352.504 2.301 20 30 FEEDLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)N1CCC[C@@H]1[C@@H]1COCC[C@H]1O ZINC000329354617 553930603 /nfs/dbraw/zinc/93/06/03/553930603.db2.gz YMOBWKWNBRIWIG-IPMKNSEASA-N 1 2 370.453 2.148 20 30 FEEDLO CC(C)[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000329391300 553937187 /nfs/dbraw/zinc/93/71/87/553937187.db2.gz VIAMRPAHGFMYQB-YDHLFZDLSA-N 1 2 350.488 2.348 20 30 FEEDLO COc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000329403647 553939806 /nfs/dbraw/zinc/93/98/06/553939806.db2.gz CEJZYHBFQOFFTR-TZMCWYRMSA-N 1 2 353.850 2.342 20 30 FEEDLO COc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@H+]1CCN2CCOC[C@H]2C1 ZINC000329403647 553939812 /nfs/dbraw/zinc/93/98/12/553939812.db2.gz CEJZYHBFQOFFTR-TZMCWYRMSA-N 1 2 353.850 2.342 20 30 FEEDLO Cn1cc[nH+]c1[C@H](NC(=O)N1CCC[C@@H]1[C@H]1CCCO1)C1CCOCC1 ZINC000329428204 553945211 /nfs/dbraw/zinc/94/52/11/553945211.db2.gz GZQZLXLXNCCHBZ-BRWVUGGUSA-N 1 2 362.474 2.445 20 30 FEEDLO O=C(NCc1cc[nH+]c(N2CCOCC2)c1)N1CCC[C@H]1C1CCOCC1 ZINC000329450139 553949427 /nfs/dbraw/zinc/94/94/27/553949427.db2.gz LJJFXZRGLLRGNK-SFHVURJKSA-N 1 2 374.485 2.223 20 30 FEEDLO Cc1nc(N2CCN(C([O-])=[NH+][C@@H]3CCc4ccccc4C3)CC2)cc[nH+]1 ZINC000329568463 553968685 /nfs/dbraw/zinc/96/86/85/553968685.db2.gz LNMBHVUCDFBZNA-GOSISDBHSA-N 1 2 351.454 2.379 20 30 FEEDLO Cc1nc(N2CCN(C(=O)N[C@@H]3CCc4ccccc4C3)CC2)cc[nH+]1 ZINC000329568463 553968687 /nfs/dbraw/zinc/96/86/87/553968687.db2.gz LNMBHVUCDFBZNA-GOSISDBHSA-N 1 2 351.454 2.379 20 30 FEEDLO O=C(N[C@@H]1CCCN(c2cccnc2)C1=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000329576177 553970017 /nfs/dbraw/zinc/97/00/17/553970017.db2.gz SGCGFZSRPMHHFZ-MRXNPFEDSA-N 1 2 368.441 2.094 20 30 FEEDLO O=C(N[C@@H]1CCCN(c2cccnc2)C1=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000329576177 553970018 /nfs/dbraw/zinc/97/00/18/553970018.db2.gz SGCGFZSRPMHHFZ-MRXNPFEDSA-N 1 2 368.441 2.094 20 30 FEEDLO O=C(Nc1ccc2c(c1)OC(F)(F)O2)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000329574919 553970243 /nfs/dbraw/zinc/97/02/43/553970243.db2.gz RVWJULLDXQGASK-ZDUSSCGKSA-N 1 2 369.368 2.350 20 30 FEEDLO Cc1cccc2c1OC[C@H](NC(=O)N1CCN(c3cc[nH+]c(C)n3)CC1)C2 ZINC000329597925 553974400 /nfs/dbraw/zinc/97/44/00/553974400.db2.gz CVDXDFKOOJOPGY-QGZVFWFLSA-N 1 2 367.453 2.133 20 30 FEEDLO COc1ccc2c(c1)CCC[C@@H]2CNC(=O)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000329616554 553977023 /nfs/dbraw/zinc/97/70/23/553977023.db2.gz LJXLKPZZWJTSKS-MNEFBYGVSA-N 1 2 359.470 2.044 20 30 FEEDLO COc1ccc2c(c1)CCC[C@@H]2CNC(=O)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000329616554 553977025 /nfs/dbraw/zinc/97/70/25/553977025.db2.gz LJXLKPZZWJTSKS-MNEFBYGVSA-N 1 2 359.470 2.044 20 30 FEEDLO Cc1nc2ccc(NC(=O)N3CC[NH+]([C@@H](C)c4cccnc4)CC3)cn2n1 ZINC000329790247 554006897 /nfs/dbraw/zinc/00/68/97/554006897.db2.gz SYBHIECLSZEYSY-AWEZNQCLSA-N 1 2 365.441 2.357 20 30 FEEDLO CC1(C)C[N@H+](CC(=O)Nc2cc(-n3cnnn3)ccc2F)[C@H]1[C@@H]1CCCO1 ZINC000329797133 554007630 /nfs/dbraw/zinc/00/76/30/554007630.db2.gz XDACELRYFWIQBP-RDJZCZTQSA-N 1 2 374.420 2.279 20 30 FEEDLO CC1(C)C[N@@H+](CC(=O)Nc2cc(-n3cnnn3)ccc2F)[C@H]1[C@@H]1CCCO1 ZINC000329797133 554007635 /nfs/dbraw/zinc/00/76/35/554007635.db2.gz XDACELRYFWIQBP-RDJZCZTQSA-N 1 2 374.420 2.279 20 30 FEEDLO O=C(NCCc1ccc2ccccc2n1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000329816653 554011354 /nfs/dbraw/zinc/01/13/54/554011354.db2.gz WAXJFLLBLLQGRM-IBGZPJMESA-N 1 2 368.481 2.488 20 30 FEEDLO CC[C@H]1CC[C@@H](C)N1C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000329860323 554020267 /nfs/dbraw/zinc/02/02/67/554020267.db2.gz XGKOEVLDZOTRJN-ZBFHGGJFSA-N 1 2 359.474 2.278 20 30 FEEDLO C[C@@H](NC(=O)C[NH+]1CCC(Oc2ccccn2)CC1)C(=O)N1CCCCC1 ZINC000329931073 554034328 /nfs/dbraw/zinc/03/43/28/554034328.db2.gz ICGMQBJTEBPRBH-MRXNPFEDSA-N 1 2 374.485 2.282 20 30 FEEDLO CC[C@@H]1C[C@@H](C(=O)NC[C@@H]2C[C@H](F)CN2Cc2[nH+]ccn2C)CCO1 ZINC000329963716 554039658 /nfs/dbraw/zinc/03/96/58/554039658.db2.gz UCKCWMVKKPQSMG-YHUYYLMFSA-N 1 2 352.454 2.494 20 30 FEEDLO C[C@@H]1CN(C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)C[C@]2(CCOC2)O1 ZINC000329973320 554042433 /nfs/dbraw/zinc/04/24/33/554042433.db2.gz WVGDDUWVPVASRM-PXAZEXFGSA-N 1 2 364.833 2.282 20 30 FEEDLO Cc1[nH+]c2ccccc2n1C1CCN(C(=O)NC[C@@H]2COCCO2)CC1 ZINC000330001043 554047582 /nfs/dbraw/zinc/04/75/82/554047582.db2.gz XMWYNNWBIAHJIQ-MRXNPFEDSA-N 1 2 358.442 2.311 20 30 FEEDLO CC1(C)C[N@H+](CCNC(=O)NC[C@@H]2CCC3(CCCCC3)O2)CCO1 ZINC000330047120 554054329 /nfs/dbraw/zinc/05/43/29/554054329.db2.gz HLJLLAOEOSNSHU-INIZCTEOSA-N 1 2 353.507 2.483 20 30 FEEDLO CC1(C)C[N@@H+](CCNC(=O)NC[C@@H]2CCC3(CCCCC3)O2)CCO1 ZINC000330047120 554054331 /nfs/dbraw/zinc/05/43/31/554054331.db2.gz HLJLLAOEOSNSHU-INIZCTEOSA-N 1 2 353.507 2.483 20 30 FEEDLO C[C@@H]1C[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C[C@]2(CCCOC2)O1 ZINC000330105128 554065045 /nfs/dbraw/zinc/06/50/45/554065045.db2.gz IDMDNUSVOWSSBU-KUHUBIRLSA-N 1 2 354.410 2.378 20 30 FEEDLO C[C@@H]1C[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C[C@]2(CCCOC2)O1 ZINC000330105128 554065048 /nfs/dbraw/zinc/06/50/48/554065048.db2.gz IDMDNUSVOWSSBU-KUHUBIRLSA-N 1 2 354.410 2.378 20 30 FEEDLO CC1CCN(c2ccc(CNC(=O)c3cn([C@@H]4CCOC4)nn3)c[nH+]2)CC1 ZINC000330113578 554066733 /nfs/dbraw/zinc/06/67/33/554066733.db2.gz SGEIAPKSDIBDGZ-MRXNPFEDSA-N 1 2 370.457 2.376 20 30 FEEDLO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)[C@@H]2CC23CCS(=O)(=O)CC3)C[C@H](C)O1 ZINC000330150704 554074677 /nfs/dbraw/zinc/07/46/77/554074677.db2.gz KXMDNCFDYPUBFS-ZNMIVQPWSA-N 1 2 372.531 2.046 20 30 FEEDLO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)[C@@H]2CC23CCS(=O)(=O)CC3)C[C@H](C)O1 ZINC000330150704 554074683 /nfs/dbraw/zinc/07/46/83/554074683.db2.gz KXMDNCFDYPUBFS-ZNMIVQPWSA-N 1 2 372.531 2.046 20 30 FEEDLO Cc1cn2cc(NC(=O)[C@@H](C)S(=O)(=O)C3CCOCC3)ccc2[nH+]1 ZINC000330161906 554076061 /nfs/dbraw/zinc/07/60/61/554076061.db2.gz SBFNRRGNPBTURV-GFCCVEGCSA-N 1 2 351.428 2.213 20 30 FEEDLO CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)NC[C@@H]2CCCn3cc(C)[nH+]c32)C1 ZINC000330195849 554083140 /nfs/dbraw/zinc/08/31/40/554083140.db2.gz ZWMCKPDUJZKHDA-SOUVJXGZSA-N 1 2 374.445 2.136 20 30 FEEDLO C[C@H](NC(=O)N(C[C@@H]1CCCO1)C1CCCC1)[C@H](C)[NH+]1CCOCC1 ZINC000330198327 554083698 /nfs/dbraw/zinc/08/36/98/554083698.db2.gz TWDQAJNPLMASLV-BQFCYCMXSA-N 1 2 353.507 2.433 20 30 FEEDLO CC(=O)N(C)c1cccc(NC(=O)N[C@H]2CCO[C@H](c3c[nH+]cn3C)C2)c1 ZINC000330360855 554111579 /nfs/dbraw/zinc/11/15/79/554111579.db2.gz XPZVQDZQTMVUDN-YJBOKZPZSA-N 1 2 371.441 2.458 20 30 FEEDLO O=C(NCc1[nH+]ccn1CC(F)(F)F)N1CCN(CC(F)(F)F)CC1 ZINC000330512658 554132289 /nfs/dbraw/zinc/13/22/89/554132289.db2.gz CALIJCKXKWENOO-UHFFFAOYSA-N 1 2 373.301 2.039 20 30 FEEDLO CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@H](O)C[C@@H]1c1ccccc1C(F)(F)F ZINC000330537106 554134778 /nfs/dbraw/zinc/13/47/78/554134778.db2.gz PZUZTIVCIVHQDJ-MISXGVKJSA-N 1 2 373.375 2.252 20 30 FEEDLO CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@H](O)C[C@@H]1c1ccccc1C(F)(F)F ZINC000330537106 554134780 /nfs/dbraw/zinc/13/47/80/554134780.db2.gz PZUZTIVCIVHQDJ-MISXGVKJSA-N 1 2 373.375 2.252 20 30 FEEDLO Cc1ccc(C#N)cc1S(=O)(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000508069995 561750051 /nfs/dbraw/zinc/75/00/51/561750051.db2.gz UDBQYWKXYBVSIS-UHFFFAOYSA-N 1 2 353.407 2.307 20 30 FEEDLO CC(C)(C)[C@H]1CC[N@H+](CCS(=O)(=O)c2cccc(C#N)c2)C[C@@H]1O ZINC000330872223 554181277 /nfs/dbraw/zinc/18/12/77/554181277.db2.gz UQTLIOMVVGVCSP-IRXDYDNUSA-N 1 2 350.484 2.061 20 30 FEEDLO CC(C)(C)[C@H]1CC[N@@H+](CCS(=O)(=O)c2cccc(C#N)c2)C[C@@H]1O ZINC000330872223 554181280 /nfs/dbraw/zinc/18/12/80/554181280.db2.gz UQTLIOMVVGVCSP-IRXDYDNUSA-N 1 2 350.484 2.061 20 30 FEEDLO CC(C)NC(=O)NC1(C(=O)NCc2ccc[nH+]c2N(C)C)CCCCC1 ZINC000330973421 554195738 /nfs/dbraw/zinc/19/57/38/554195738.db2.gz KYGPUKDBQIZBGP-UHFFFAOYSA-N 1 2 361.490 2.379 20 30 FEEDLO C=CCn1c(Cc2ccc(F)cc2)nnc1N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000508497153 561763776 /nfs/dbraw/zinc/76/37/76/561763776.db2.gz JFJMTACKSYCTFQ-SFHVURJKSA-N 1 2 371.460 2.105 20 30 FEEDLO CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)OC(C)(C)C ZINC000331120355 554216680 /nfs/dbraw/zinc/21/66/80/554216680.db2.gz OGUPGRDUOSVRDA-MJBXVCDLSA-N 1 2 353.463 2.011 20 30 FEEDLO CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)OC(C)(C)C ZINC000331120355 554216684 /nfs/dbraw/zinc/21/66/84/554216684.db2.gz OGUPGRDUOSVRDA-MJBXVCDLSA-N 1 2 353.463 2.011 20 30 FEEDLO C=CC[C@@H]1[N@H+](CC(=O)N(CC)[C@@H]2CCS(=O)(=O)C2)CCCC1(C)C ZINC000331308363 554245319 /nfs/dbraw/zinc/24/53/19/554245319.db2.gz XEBZTELNTQVPJS-CVEARBPZSA-N 1 2 356.532 2.089 20 30 FEEDLO C=CC[C@@H]1[N@@H+](CC(=O)N(CC)[C@@H]2CCS(=O)(=O)C2)CCCC1(C)C ZINC000331308363 554245320 /nfs/dbraw/zinc/24/53/20/554245320.db2.gz XEBZTELNTQVPJS-CVEARBPZSA-N 1 2 356.532 2.089 20 30 FEEDLO CC[C@H](C)C[C@H](C)NC(=O)N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC000331324299 554247475 /nfs/dbraw/zinc/24/74/75/554247475.db2.gz MZFJXZHRDZLSQZ-YESZJQIVSA-N 1 2 352.523 2.354 20 30 FEEDLO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCNC(=O)C3(C)C)sc2C1 ZINC000331930762 554348124 /nfs/dbraw/zinc/34/81/24/554348124.db2.gz LIWYFWMVYXKBSE-LBPRGKRZSA-N 1 2 374.510 2.284 20 30 FEEDLO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCNC(=O)C3(C)C)sc2C1 ZINC000331930762 554348127 /nfs/dbraw/zinc/34/81/27/554348127.db2.gz LIWYFWMVYXKBSE-LBPRGKRZSA-N 1 2 374.510 2.284 20 30 FEEDLO CCN1CC[NH+]([C@@H]2CCN(C(=O)C[C@H](CC#N)c3ccccc3)C2)CC1 ZINC000332328894 554426191 /nfs/dbraw/zinc/42/61/91/554426191.db2.gz UATBYEBDQYBPJI-VQTJNVASSA-N 1 2 354.498 2.312 20 30 FEEDLO C[C@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN(Cc3cccc(C#N)c3F)CC2)C1 ZINC000332542400 554467849 /nfs/dbraw/zinc/46/78/49/554467849.db2.gz DNAIRBIPMVPCFI-IRXDYDNUSA-N 1 2 372.488 2.319 20 30 FEEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)N=c1[nH]n(C)cc1C#N ZINC000610563659 554530176 /nfs/dbraw/zinc/53/01/76/554530176.db2.gz IZXHVARQUHNCRT-UHFFFAOYSA-N 1 2 367.457 2.457 20 30 FEEDLO Cc1[nH+]ccn1-c1ccc(CNC(=O)N=c2[nH]n(C)cc2C#N)cc1F ZINC000610563702 554530336 /nfs/dbraw/zinc/53/03/36/554530336.db2.gz DNPHTKQJIMFFPY-UHFFFAOYSA-N 1 2 353.361 2.247 20 30 FEEDLO CN(C)S(=O)(=O)[C@@H]1CCC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000511095207 561856620 /nfs/dbraw/zinc/85/66/20/561856620.db2.gz JNGVZAJMLQPBGZ-MRXNPFEDSA-N 1 2 374.428 2.413 20 30 FEEDLO CN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000511095207 561856621 /nfs/dbraw/zinc/85/66/21/561856621.db2.gz JNGVZAJMLQPBGZ-MRXNPFEDSA-N 1 2 374.428 2.413 20 30 FEEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1[C@@H]2CCCC[C@H]2C[C@H]1C(N)=O ZINC000361418759 554921406 /nfs/dbraw/zinc/92/14/06/554921406.db2.gz YYARFUVXDNGGDJ-IMJJTQAJSA-N 1 2 372.494 2.359 20 30 FEEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1[C@@H]2CCCC[C@H]2C[C@H]1C(N)=O ZINC000361418759 554921407 /nfs/dbraw/zinc/92/14/07/554921407.db2.gz YYARFUVXDNGGDJ-IMJJTQAJSA-N 1 2 372.494 2.359 20 30 FEEDLO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@]3(CNC(=O)O3)C2)cc1C ZINC000364798640 555405900 /nfs/dbraw/zinc/40/59/00/555405900.db2.gz ZOHGVILXGMPPHS-HXUWFJFHSA-N 1 2 370.453 2.125 20 30 FEEDLO Cc1ccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@]3(CNC(=O)O3)C2)cc1C ZINC000364798640 555405902 /nfs/dbraw/zinc/40/59/02/555405902.db2.gz ZOHGVILXGMPPHS-HXUWFJFHSA-N 1 2 370.453 2.125 20 30 FEEDLO N#Cc1cccc(CN2C(=O)CC[C@@H]2C(=O)NCc2ccn3cc[nH+]c3c2)c1 ZINC000365050770 555473696 /nfs/dbraw/zinc/47/36/96/555473696.db2.gz DTJQBZLJSDKLGG-GOSISDBHSA-N 1 2 373.416 2.013 20 30 FEEDLO Cc1csc(N2CCC[N@H+](CC(=O)Nc3ccc(C#N)cc3)CC2)n1 ZINC000365378797 555558105 /nfs/dbraw/zinc/55/81/05/555558105.db2.gz ILBDMNRDJLACAM-UHFFFAOYSA-N 1 2 355.467 2.474 20 30 FEEDLO Cc1csc(N2CCC[N@@H+](CC(=O)Nc3ccc(C#N)cc3)CC2)n1 ZINC000365378797 555558108 /nfs/dbraw/zinc/55/81/08/555558108.db2.gz ILBDMNRDJLACAM-UHFFFAOYSA-N 1 2 355.467 2.474 20 30 FEEDLO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000365491453 555589642 /nfs/dbraw/zinc/58/96/42/555589642.db2.gz CKLPJGQSHWXQSF-MRXNPFEDSA-N 1 2 366.421 2.283 20 30 FEEDLO Cc1cc(C#N)ccc1S(=O)(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000366233361 555788343 /nfs/dbraw/zinc/78/83/43/555788343.db2.gz PVKKZJMJQSXAPT-INIZCTEOSA-N 1 2 358.467 2.244 20 30 FEEDLO Cc1n[nH]cc1C1CC[NH+](CCS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000367453172 556054033 /nfs/dbraw/zinc/05/40/33/556054033.db2.gz YQYJSTJPENODFQ-UHFFFAOYSA-N 1 2 358.467 2.243 20 30 FEEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)CSCc1ccc(C#N)cc1 ZINC000367635085 556101823 /nfs/dbraw/zinc/10/18/23/556101823.db2.gz NJZSYDSYRCJSJP-CRAIPNDOSA-N 1 2 359.495 2.113 20 30 FEEDLO Cc1ccnc(C2CC[NH+](CCS(=O)(=O)c3cccc(C#N)c3)CC2)n1 ZINC000368330677 556280355 /nfs/dbraw/zinc/28/03/55/556280355.db2.gz XKZBAKLOINMCJY-UHFFFAOYSA-N 1 2 370.478 2.310 20 30 FEEDLO N#Cc1ccc(C2=CCN(C(=O)NCC3([NH+]4CCOCC4)CC3)CC2)cc1 ZINC000369359664 556579669 /nfs/dbraw/zinc/57/96/69/556579669.db2.gz SXXXSVIDZPPRNN-UHFFFAOYSA-N 1 2 366.465 2.222 20 30 FEEDLO N#Cc1ccsc1N1CC[C@H]([NH+]2CCC(Oc3cnccn3)CC2)C1=O ZINC000369696666 556671529 /nfs/dbraw/zinc/67/15/29/556671529.db2.gz YAHOCEQBZAJAQH-HNNXBMFYSA-N 1 2 369.450 2.058 20 30 FEEDLO CC1(C)C[N@@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@@]2(CCCOC2)O1 ZINC000369786145 556695018 /nfs/dbraw/zinc/69/50/18/556695018.db2.gz DSLUHZPWQGWXLY-WIYYLYMNSA-N 1 2 369.465 2.324 20 30 FEEDLO CC1(C)C[N@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@@]2(CCCOC2)O1 ZINC000369786145 556695019 /nfs/dbraw/zinc/69/50/19/556695019.db2.gz DSLUHZPWQGWXLY-WIYYLYMNSA-N 1 2 369.465 2.324 20 30 FEEDLO N#Cc1ccc(-c2nnc(C[N@H+]3CC[C@@H](NC(=O)C4CCC4)C3)o2)cc1 ZINC000369826080 556706212 /nfs/dbraw/zinc/70/62/12/556706212.db2.gz PAQKPZWXWYRIOY-MRXNPFEDSA-N 1 2 351.410 2.099 20 30 FEEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3CC[C@@H](NC(=O)C4CCC4)C3)o2)cc1 ZINC000369826080 556706214 /nfs/dbraw/zinc/70/62/14/556706214.db2.gz PAQKPZWXWYRIOY-MRXNPFEDSA-N 1 2 351.410 2.099 20 30 FEEDLO N#Cc1ccc2[nH+]cc(CN3CCS(=O)(=O)C[C@H]3c3ccccc3)n2c1 ZINC000370232788 556818006 /nfs/dbraw/zinc/81/80/06/556818006.db2.gz YUVNNHIAWAQSEK-SFHVURJKSA-N 1 2 366.446 2.178 20 30 FEEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@H](N2CCCCC2=O)C1 ZINC000370896768 557007146 /nfs/dbraw/zinc/00/71/46/557007146.db2.gz CNYBMXFFSBBZPM-RDJZCZTQSA-N 1 2 354.454 2.362 20 30 FEEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@H](N2CCCCC2=O)C1 ZINC000370896768 557007148 /nfs/dbraw/zinc/00/71/48/557007148.db2.gz CNYBMXFFSBBZPM-RDJZCZTQSA-N 1 2 354.454 2.362 20 30 FEEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)c1 ZINC000371525758 557209920 /nfs/dbraw/zinc/20/99/20/557209920.db2.gz NUGXNVIDTMWPJO-IBGZPJMESA-N 1 2 374.437 2.065 20 30 FEEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)c1 ZINC000371525758 557209927 /nfs/dbraw/zinc/20/99/27/557209927.db2.gz NUGXNVIDTMWPJO-IBGZPJMESA-N 1 2 374.437 2.065 20 30 FEEDLO N#Cc1ccc(CNC(=O)NCc2ccccc2C[NH+]2CCOCC2)s1 ZINC000518511243 562113158 /nfs/dbraw/zinc/11/31/58/562113158.db2.gz CUNYTMXJILRPPA-UHFFFAOYSA-N 1 2 370.478 2.451 20 30 FEEDLO N#CCCCOc1cccc(C[NH+]2CCN([C@@H]3CCCCNC3=O)CC2)c1 ZINC000372397557 557460509 /nfs/dbraw/zinc/46/05/09/557460509.db2.gz FHHAEAYWLWUUST-HXUWFJFHSA-N 1 2 370.497 2.155 20 30 FEEDLO N#Cc1ccc(C[C@H](C#N)C(=O)N2CCCN(c3cccc[nH+]3)CC2)cc1 ZINC000373443741 557694785 /nfs/dbraw/zinc/69/47/85/557694785.db2.gz UMFOTHNMHBYCGA-LJQANCHMSA-N 1 2 359.433 2.374 20 30 FEEDLO N#CC[C@@H](CC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)c1ccccc1 ZINC000373539461 557713911 /nfs/dbraw/zinc/71/39/11/557713911.db2.gz RWFHXRSAQDIHRT-SFHVURJKSA-N 1 2 367.453 2.241 20 30 FEEDLO C[C@H]1C[N@H+](CC(=O)N(CCC#N)c2ccccc2)C[C@]2(CCCOC2)O1 ZINC000373813495 557764960 /nfs/dbraw/zinc/76/49/60/557764960.db2.gz UHHKYGAXBQNLHX-PXNSSMCTSA-N 1 2 357.454 2.203 20 30 FEEDLO C[C@H]1C[N@@H+](CC(=O)N(CCC#N)c2ccccc2)C[C@]2(CCCOC2)O1 ZINC000373813495 557764962 /nfs/dbraw/zinc/76/49/62/557764962.db2.gz UHHKYGAXBQNLHX-PXNSSMCTSA-N 1 2 357.454 2.203 20 30 FEEDLO CN(C(=O)COc1ccc(C#N)cc1)C1CCN(c2cccc[nH+]2)CC1 ZINC000374002902 557805638 /nfs/dbraw/zinc/80/56/38/557805638.db2.gz XJMAZMDUOZPRHY-UHFFFAOYSA-N 1 2 350.422 2.459 20 30 FEEDLO Cc1n[nH]c(C)c1[C@@H]1COCC[N@@H+]1CCC(=O)Nc1sccc1C#N ZINC000374294029 557859630 /nfs/dbraw/zinc/85/96/30/557859630.db2.gz FACWLLHYVTXJNI-AWEZNQCLSA-N 1 2 359.455 2.362 20 30 FEEDLO Cc1n[nH]c(C)c1[C@@H]1COCC[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000374294029 557859632 /nfs/dbraw/zinc/85/96/32/557859632.db2.gz FACWLLHYVTXJNI-AWEZNQCLSA-N 1 2 359.455 2.362 20 30 FEEDLO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@H]1C(=O)NCC1CCOCC1 ZINC000374388363 557876976 /nfs/dbraw/zinc/87/69/76/557876976.db2.gz KNIZEDQIPCJEOF-SFHVURJKSA-N 1 2 357.454 2.074 20 30 FEEDLO COc1cc(C#N)ccc1C[N@H+]1CCC[C@H]1C(=O)NCC1CCOCC1 ZINC000374388363 557876979 /nfs/dbraw/zinc/87/69/79/557876979.db2.gz KNIZEDQIPCJEOF-SFHVURJKSA-N 1 2 357.454 2.074 20 30 FEEDLO C[N@@H+]1CCN(C2CCN(c3ccc(C(F)(F)F)cc3C#N)CC2)C(=O)C1 ZINC000374847212 557940144 /nfs/dbraw/zinc/94/01/44/557940144.db2.gz QZNAWBUYIVNBHG-UHFFFAOYSA-N 1 2 366.387 2.320 20 30 FEEDLO C[N@H+]1CCN(C2CCN(c3ccc(C(F)(F)F)cc3C#N)CC2)C(=O)C1 ZINC000374847212 557940145 /nfs/dbraw/zinc/94/01/45/557940145.db2.gz QZNAWBUYIVNBHG-UHFFFAOYSA-N 1 2 366.387 2.320 20 30 FEEDLO Cc1nc(C[N@@H+](C)[C@H]2CCCN(C(=O)c3cc(C#N)oc3C)CC2)no1 ZINC000376001981 558112198 /nfs/dbraw/zinc/11/21/98/558112198.db2.gz AGRSHJDGMSHMBT-AWEZNQCLSA-N 1 2 357.414 2.278 20 30 FEEDLO Cc1nc(C[N@H+](C)[C@H]2CCCN(C(=O)c3cc(C#N)oc3C)CC2)no1 ZINC000376001981 558112199 /nfs/dbraw/zinc/11/21/99/558112199.db2.gz AGRSHJDGMSHMBT-AWEZNQCLSA-N 1 2 357.414 2.278 20 30 FEEDLO CC[C@@H]1C[N@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@]2(CCOC2)O1 ZINC000376009328 558113413 /nfs/dbraw/zinc/11/34/13/558113413.db2.gz WTQKATGOWKGFFP-CRAIPNDOSA-N 1 2 363.845 2.420 20 30 FEEDLO CC[C@@H]1C[N@@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@]2(CCOC2)O1 ZINC000376009328 558113414 /nfs/dbraw/zinc/11/34/14/558113414.db2.gz WTQKATGOWKGFFP-CRAIPNDOSA-N 1 2 363.845 2.420 20 30 FEEDLO COCCOc1ccc(C#N)cc1NC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000376837132 558228125 /nfs/dbraw/zinc/22/81/25/558228125.db2.gz RQHMYYROQPKUFC-HNNXBMFYSA-N 1 2 369.425 2.338 20 30 FEEDLO C#CCCS(=O)(=O)N[C@H]1CC[N@@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000377296814 558308974 /nfs/dbraw/zinc/30/89/74/558308974.db2.gz OWAWHESBVVVIES-HOCLYGCPSA-N 1 2 360.401 2.182 20 30 FEEDLO C#CCCS(=O)(=O)N[C@H]1CC[N@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000377296814 558308976 /nfs/dbraw/zinc/30/89/76/558308976.db2.gz OWAWHESBVVVIES-HOCLYGCPSA-N 1 2 360.401 2.182 20 30 FEEDLO CC1(Cc2ccccc2)C[NH+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000377437925 558340749 /nfs/dbraw/zinc/34/07/49/558340749.db2.gz JZWNVTWOAQBUMI-UHFFFAOYSA-N 1 2 355.463 2.292 20 30 FEEDLO N#CCc1cccc(C(=O)N2CCC3(CC2)NC(=O)C2(CCCCC2)[NH2+]3)c1 ZINC000377442553 558341471 /nfs/dbraw/zinc/34/14/71/558341471.db2.gz XQBSSTFLBHNNTO-UHFFFAOYSA-N 1 2 366.465 2.107 20 30 FEEDLO N#CCOc1ccc(CNC(=O)N[C@@H]2CCCN(c3cccc[nH+]3)C2)cc1 ZINC000378330290 558531419 /nfs/dbraw/zinc/53/14/19/558531419.db2.gz GFZKYNMBBRSAFU-QGZVFWFLSA-N 1 2 365.437 2.452 20 30 FEEDLO C[C@@H]1c2cc3c(cc2C2(CCCC2)C[N@H+]1CC(=O)NCC#N)OCCO3 ZINC000408019441 558638567 /nfs/dbraw/zinc/63/85/67/558638567.db2.gz GAGUEGDQPYBAIA-CQSZACIVSA-N 1 2 355.438 2.286 20 30 FEEDLO C[C@@H]1c2cc3c(cc2C2(CCCC2)C[N@@H+]1CC(=O)NCC#N)OCCO3 ZINC000408019441 558638569 /nfs/dbraw/zinc/63/85/69/558638569.db2.gz GAGUEGDQPYBAIA-CQSZACIVSA-N 1 2 355.438 2.286 20 30 FEEDLO C=CCCCN(C)C(=O)C(=O)N(C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000410542716 558775410 /nfs/dbraw/zinc/77/54/10/558775410.db2.gz FSZSUEYJTKOSHG-UHFFFAOYSA-N 1 2 354.454 2.314 20 30 FEEDLO C=CC[C@@H]1N(C(=O)C(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)CCCC1(C)C ZINC000411003562 558831177 /nfs/dbraw/zinc/83/11/77/558831177.db2.gz OJRIUIFEBTXDMF-CVEARBPZSA-N 1 2 358.486 2.329 20 30 FEEDLO C[C@H](CCC#N)N1CC[NH+]([C@H]2CCCN(Cc3ccccc3)C2=O)CC1 ZINC000411500077 558906389 /nfs/dbraw/zinc/90/63/89/558906389.db2.gz SEGYWGGAWJSHBA-QUCCMNQESA-N 1 2 354.498 2.487 20 30 FEEDLO C=C[C@](C)(CCOC)C(=O)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000525866654 562257802 /nfs/dbraw/zinc/25/78/02/562257802.db2.gz VNAPNHNSBBXXLO-OAQYLSRUSA-N 1 2 374.481 2.331 20 30 FEEDLO N#Cc1ccc([C@H](C(N)=O)[N@@H+]2CC[C@]3(C2)CC(=O)c2ccccc2O3)cc1 ZINC000411976559 558998785 /nfs/dbraw/zinc/99/87/85/558998785.db2.gz DJQLKHMXKXCUBJ-TZIWHRDSSA-N 1 2 361.401 2.195 20 30 FEEDLO N#Cc1ccc([C@H](C(N)=O)[N@H+]2CC[C@]3(C2)CC(=O)c2ccccc2O3)cc1 ZINC000411976559 558998786 /nfs/dbraw/zinc/99/87/86/558998786.db2.gz DJQLKHMXKXCUBJ-TZIWHRDSSA-N 1 2 361.401 2.195 20 30 FEEDLO C[C@@H]([NH2+][C@@H](C)c1nc(-c2cccc(F)c2)no1)C(=O)NC1(C#N)CCC1 ZINC000526057748 562265477 /nfs/dbraw/zinc/26/54/77/562265477.db2.gz VQKOAJXCTXXVJB-NEPJUHHUSA-N 1 2 357.389 2.477 20 30 FEEDLO C=CCc1cc(CNc2cc(NC[C@H](C)O)[nH+]cn2)cc(OC)c1OC ZINC000413107944 559078677 /nfs/dbraw/zinc/07/86/77/559078677.db2.gz QOPMGMITPKFOCN-ZDUSSCGKSA-N 1 2 358.442 2.627 20 30 FEEDLO C=CCc1cc(CNc2cc(NC[C@H](C)O)nc[nH+]2)cc(OC)c1OC ZINC000413107944 559078679 /nfs/dbraw/zinc/07/86/79/559078679.db2.gz QOPMGMITPKFOCN-ZDUSSCGKSA-N 1 2 358.442 2.627 20 30 FEEDLO CC(=O)c1cc(Br)ccc1OC[C@@H](O)C[N@H+](C)CCC#N ZINC000414163697 559151309 /nfs/dbraw/zinc/15/13/09/559151309.db2.gz NNIXIJZQHOEJLT-ZDUSSCGKSA-N 1 2 355.232 2.237 20 30 FEEDLO CC(=O)c1cc(Br)ccc1OC[C@@H](O)C[N@@H+](C)CCC#N ZINC000414163697 559151310 /nfs/dbraw/zinc/15/13/10/559151310.db2.gz NNIXIJZQHOEJLT-ZDUSSCGKSA-N 1 2 355.232 2.237 20 30 FEEDLO CC(C)(CNC(=O)N[C@@H]1CCCc2cc(C#N)ccc21)[NH+]1CCOCC1 ZINC000416673896 559328996 /nfs/dbraw/zinc/32/89/96/559328996.db2.gz VDYONGQAHDHNRD-GOSISDBHSA-N 1 2 356.470 2.346 20 30 FEEDLO Cc1c(F)c(F)ccc1NC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000417520977 559365827 /nfs/dbraw/zinc/36/58/27/559365827.db2.gz ONPJSSOFZAJWAG-UHFFFAOYSA-N 1 2 352.385 2.353 20 30 FEEDLO CC(=O)N[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000420965275 559514863 /nfs/dbraw/zinc/51/48/63/559514863.db2.gz YDAKQLVASXIYNB-FUHWJXTLSA-N 1 2 356.470 2.149 20 30 FEEDLO CC(=O)N[C@@H]1CC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000420965275 559514864 /nfs/dbraw/zinc/51/48/64/559514864.db2.gz YDAKQLVASXIYNB-FUHWJXTLSA-N 1 2 356.470 2.149 20 30 FEEDLO C=C(C)Cn1c([C@H]2CCCS2)nnc1N(C)CC[NH+]1CCOCC1 ZINC000424236612 559658898 /nfs/dbraw/zinc/65/88/98/559658898.db2.gz FWYLVYWSLUIDBW-OAHLLOKOSA-N 1 2 351.520 2.191 20 30 FEEDLO C=CCn1cc(C[NH2+][C@H](CC)c2ccccc2OCC(=O)N(C)C)nn1 ZINC000424290885 559660881 /nfs/dbraw/zinc/66/08/81/559660881.db2.gz CJOWJKWWXIYOBK-QGZVFWFLSA-N 1 2 357.458 2.172 20 30 FEEDLO C=CCCn1cc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)nn1 ZINC000424750880 559675600 /nfs/dbraw/zinc/67/56/00/559675600.db2.gz TYVRPQFAZSJGIC-WBVHZDCISA-N 1 2 361.396 2.308 20 30 FEEDLO C=CCCn1cc(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)nn1 ZINC000424750880 559675601 /nfs/dbraw/zinc/67/56/01/559675601.db2.gz TYVRPQFAZSJGIC-WBVHZDCISA-N 1 2 361.396 2.308 20 30 FEEDLO C=CCCn1cc(C(=O)Nc2ccc3c(c2)[nH+]c(C)n3[C@@H](C)CO)nn1 ZINC000424865525 559678848 /nfs/dbraw/zinc/67/88/48/559678848.db2.gz MVEKAGGVYLGAAH-LBPRGKRZSA-N 1 2 354.414 2.318 20 30 FEEDLO COc1ccccc1CC(=O)N1CCC(Nc2cc(C)[nH+]cc2C#N)CC1 ZINC000425233439 559692654 /nfs/dbraw/zinc/69/26/54/559692654.db2.gz YIHKXRXHACFUBT-UHFFFAOYSA-N 1 2 364.449 2.338 20 30 FEEDLO COC(=O)c1cnc([C@@H](C)[NH2+][C@H]2CCN(c3ccc(C#N)cc3)C2=O)s1 ZINC000425478185 559704570 /nfs/dbraw/zinc/70/45/70/559704570.db2.gz CARQZWATHBYDJV-RISCZKNCSA-N 1 2 370.434 2.257 20 30 FEEDLO CS(=O)(=O)N(Cc1cn2c([nH+]1)CCCC2)Cc1cccc(F)c1C#N ZINC000427552079 559757792 /nfs/dbraw/zinc/75/77/92/559757792.db2.gz FQRFHORZYXNHOW-UHFFFAOYSA-N 1 2 362.430 2.192 20 30 FEEDLO CC(C)NC(=O)C[NH+]1CCN(c2nc3c(cc2C#N)CCCC3(C)C)CC1 ZINC000428119617 559770018 /nfs/dbraw/zinc/77/00/18/559770018.db2.gz PGLNXXKGGMOLGY-UHFFFAOYSA-N 1 2 369.513 2.214 20 30 FEEDLO Cc1ccc2c(CN(CCC#N)CC[NH+]3CCOCC3)ccc(O)c2n1 ZINC000429685247 559804091 /nfs/dbraw/zinc/80/40/91/559804091.db2.gz ONTVGAQABIIEFU-UHFFFAOYSA-N 1 2 354.454 2.297 20 30 FEEDLO Cc1ccc2c(C[N@H+](CCC#N)CCN3CCOCC3)ccc(O)c2n1 ZINC000429685247 559804092 /nfs/dbraw/zinc/80/40/92/559804092.db2.gz ONTVGAQABIIEFU-UHFFFAOYSA-N 1 2 354.454 2.297 20 30 FEEDLO Cc1ccc2c(C[N@@H+](CCC#N)CCN3CCOCC3)ccc(O)c2n1 ZINC000429685247 559804093 /nfs/dbraw/zinc/80/40/93/559804093.db2.gz ONTVGAQABIIEFU-UHFFFAOYSA-N 1 2 354.454 2.297 20 30 FEEDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)C(=O)Nc1cc(C#N)ccc1Cl ZINC000429849193 559807110 /nfs/dbraw/zinc/80/71/10/559807110.db2.gz HIUSIXMKPGEDTM-UHFFFAOYSA-N 1 2 371.828 2.342 20 30 FEEDLO C=CCC(C)(C)C(=O)Nc1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC000429895089 559808027 /nfs/dbraw/zinc/80/80/27/559808027.db2.gz HNINGXPFHFZPGE-UHFFFAOYSA-N 1 2 365.499 2.164 20 30 FEEDLO Cn1c2ccc(NC(=O)C(=O)NCC3(CC#N)CC3)cc2[nH+]c1C1CC1 ZINC000430373593 559818751 /nfs/dbraw/zinc/81/87/51/559818751.db2.gz FQZWKICDJOHSFP-UHFFFAOYSA-N 1 2 351.410 2.199 20 30 FEEDLO C[C@@H]1C[N@H+](C)[C@H](C)CN1S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000433888736 559889824 /nfs/dbraw/zinc/88/98/24/559889824.db2.gz SUDFGXIFIVRIAE-GHMZBOCLSA-N 1 2 372.288 2.034 20 30 FEEDLO C[C@@H]1C[N@@H+](C)[C@H](C)CN1S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000433888736 559889825 /nfs/dbraw/zinc/88/98/25/559889825.db2.gz SUDFGXIFIVRIAE-GHMZBOCLSA-N 1 2 372.288 2.034 20 30 FEEDLO Cn1ncc2c1nc(NC1CCC(Oc3ccccc3C#N)CC1)[nH+]c2N ZINC000436391661 559940970 /nfs/dbraw/zinc/94/09/70/559940970.db2.gz RSQIETACURTWCP-UHFFFAOYSA-N 1 2 363.425 2.619 20 30 FEEDLO CCN(C[C@H](C)C#N)C(=O)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000437418332 559964470 /nfs/dbraw/zinc/96/44/70/559964470.db2.gz GJXDQDOBTJUCHQ-CVEARBPZSA-N 1 2 372.469 2.026 20 30 FEEDLO C=CCCC[C@H](C)[NH+]1CCC(NS(=O)(=O)NCC(F)(F)F)CC1 ZINC000439290057 559991516 /nfs/dbraw/zinc/99/15/16/559991516.db2.gz SLWHANAHEPIHHT-LBPRGKRZSA-N 1 2 357.442 2.182 20 30 FEEDLO CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)C(=O)Nc1cccc(C#N)c1 ZINC000440196261 560006436 /nfs/dbraw/zinc/00/64/36/560006436.db2.gz QMWBZJDFTBBCCM-UHFFFAOYSA-N 1 2 373.416 2.400 20 30 FEEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CC[N@H+](C)C[C@H]1C ZINC000440268696 560007712 /nfs/dbraw/zinc/00/77/12/560007712.db2.gz IXTPVEFYAIYVJD-ZIAGYGMSSA-N 1 2 360.483 2.182 20 30 FEEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000440268696 560007713 /nfs/dbraw/zinc/00/77/13/560007713.db2.gz IXTPVEFYAIYVJD-ZIAGYGMSSA-N 1 2 360.483 2.182 20 30 FEEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000440922658 560019556 /nfs/dbraw/zinc/01/95/56/560019556.db2.gz ZIJFCPFPIWFFHB-HOCLYGCPSA-N 1 2 355.438 2.318 20 30 FEEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000440922658 560019557 /nfs/dbraw/zinc/01/95/57/560019557.db2.gz ZIJFCPFPIWFFHB-HOCLYGCPSA-N 1 2 355.438 2.318 20 30 FEEDLO C=CCN1CC[C@@H](N2CC[N@@H+](Cc3ccccc3OCC)C[C@@H]2C)C1=O ZINC000441382325 560030555 /nfs/dbraw/zinc/03/05/55/560030555.db2.gz TYUNCLUKLNQBIW-PKOBYXMFSA-N 1 2 357.498 2.378 20 30 FEEDLO C=CCN1CC[C@@H](N2CC[N@H+](Cc3ccccc3OCC)C[C@@H]2C)C1=O ZINC000441382325 560030556 /nfs/dbraw/zinc/03/05/56/560030556.db2.gz TYUNCLUKLNQBIW-PKOBYXMFSA-N 1 2 357.498 2.378 20 30 FEEDLO C=CCN1CC[C@@H]([N@H+]2CCN(Cc3ccccc3OCC)C[C@@H]2C)C1=O ZINC000441382325 560030557 /nfs/dbraw/zinc/03/05/57/560030557.db2.gz TYUNCLUKLNQBIW-PKOBYXMFSA-N 1 2 357.498 2.378 20 30 FEEDLO C=CCN1CC[C@@H]([N@@H+]2CCN(Cc3ccccc3OCC)C[C@@H]2C)C1=O ZINC000441382325 560030558 /nfs/dbraw/zinc/03/05/58/560030558.db2.gz TYUNCLUKLNQBIW-PKOBYXMFSA-N 1 2 357.498 2.378 20 30 FEEDLO Cc1noc(C)c1S(=O)(=O)N1CC[NH+](CCCCC(C)(C)C#N)CC1 ZINC000444599734 560116315 /nfs/dbraw/zinc/11/63/15/560116315.db2.gz XKUMULYAAAXDNI-UHFFFAOYSA-N 1 2 368.503 2.318 20 30 FEEDLO C[C@@]1(Br)C[C@H]1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000527685594 562300172 /nfs/dbraw/zinc/30/01/72/562300172.db2.gz PHZCTHPIONWFKE-DOTOQJQBSA-N 1 2 362.271 2.376 20 30 FEEDLO C=CCNC(=O)CN1CC[NH+](Cc2cnc(-c3ccccc3F)s2)CC1 ZINC000449007077 560211556 /nfs/dbraw/zinc/21/15/56/560211556.db2.gz BOALIOVDXSSGAK-UHFFFAOYSA-N 1 2 374.485 2.369 20 30 FEEDLO CN(C)C(=O)C1([NH2+]Cc2nnc(-c3cccc(C#N)c3)o2)CCCCC1 ZINC000451407966 560304942 /nfs/dbraw/zinc/30/49/42/560304942.db2.gz XCOKGRIGHZQWKN-UHFFFAOYSA-N 1 2 353.426 2.489 20 30 FEEDLO COCC[N@H+](Cc1cnc2ccc(C#N)cn12)Cc1c(C)nn(C)c1C ZINC000453617053 560391484 /nfs/dbraw/zinc/39/14/84/560391484.db2.gz QNCUJXXQNQXJAJ-UHFFFAOYSA-N 1 2 352.442 2.205 20 30 FEEDLO COCC[N@@H+](Cc1cnc2ccc(C#N)cn12)Cc1c(C)nn(C)c1C ZINC000453617053 560391485 /nfs/dbraw/zinc/39/14/85/560391485.db2.gz QNCUJXXQNQXJAJ-UHFFFAOYSA-N 1 2 352.442 2.205 20 30 FEEDLO CC(C)(C)OC(=O)C[NH2+][C@]1(C)CCN(C(=O)N[C@H]2CC[C@@H](CC#N)C2)C1 ZINC000455268292 560476194 /nfs/dbraw/zinc/47/61/94/560476194.db2.gz COPFCEDZKHPWQQ-YZVOILCLSA-N 1 2 364.490 2.174 20 30 FEEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)Nc3ccc(OC(C)(C)C)c(C#N)c3)C[C@H]21 ZINC000455776070 560494398 /nfs/dbraw/zinc/49/43/98/560494398.db2.gz RUIQPIAOQMQRFH-NVXWUHKLSA-N 1 2 358.442 2.282 20 30 FEEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)Nc3ccc(OC(C)(C)C)c(C#N)c3)C[C@H]21 ZINC000455776070 560494399 /nfs/dbraw/zinc/49/43/99/560494399.db2.gz RUIQPIAOQMQRFH-NVXWUHKLSA-N 1 2 358.442 2.282 20 30 FEEDLO N#CCc1cccc(NC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)c1 ZINC000455926408 560500481 /nfs/dbraw/zinc/50/04/81/560500481.db2.gz YLOIRSQFXILPAZ-SFHVURJKSA-N 1 2 360.483 2.082 20 30 FEEDLO C=C[C@H](C)NC(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000455953074 560501846 /nfs/dbraw/zinc/50/18/46/560501846.db2.gz JQKLHROAZRRTSW-JTQLQIEISA-N 1 2 355.236 2.377 20 30 FEEDLO N#Cc1ccc(CNC(=O)N(CC[NH+]2CCOCC2)Cc2ccco2)cc1 ZINC000457669205 560580913 /nfs/dbraw/zinc/58/09/13/560580913.db2.gz SQTLPOPETUVNBE-UHFFFAOYSA-N 1 2 368.437 2.195 20 30 FEEDLO C[N@H+](Cc1c(C#N)cccc1[N+](=O)[O-])[C@H]1CCCN(c2cccnn2)C1 ZINC000459329538 560680099 /nfs/dbraw/zinc/68/00/99/560680099.db2.gz AHOZEDCGSLNARY-HNNXBMFYSA-N 1 2 352.398 2.357 20 30 FEEDLO C[N@@H+](Cc1c(C#N)cccc1[N+](=O)[O-])[C@H]1CCCN(c2cccnn2)C1 ZINC000459329538 560680100 /nfs/dbraw/zinc/68/01/00/560680100.db2.gz AHOZEDCGSLNARY-HNNXBMFYSA-N 1 2 352.398 2.357 20 30 FEEDLO C=C[C@@H](CO)NC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000460276065 560740326 /nfs/dbraw/zinc/74/03/26/560740326.db2.gz KAADGPPSQIBRFB-LSDHHAIUSA-N 1 2 355.841 2.290 20 30 FEEDLO C=C[C@@H](CO)NC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000460276065 560740328 /nfs/dbraw/zinc/74/03/28/560740328.db2.gz KAADGPPSQIBRFB-LSDHHAIUSA-N 1 2 355.841 2.290 20 30 FEEDLO Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)N[C@H]2CCC[C@H]2C#N)cc1 ZINC000461947357 560789330 /nfs/dbraw/zinc/78/93/30/560789330.db2.gz PKSTZQSSCWRFQY-FHWLQOOXSA-N 1 2 356.470 2.360 20 30 FEEDLO C=CCOCCCC(=O)Nc1ccc2nc(CC[NH+]3CCOCC3)[nH]c2c1 ZINC000463617769 560819486 /nfs/dbraw/zinc/81/94/86/560819486.db2.gz JIEYNRLVHBZXID-UHFFFAOYSA-N 1 2 372.469 2.359 20 30 FEEDLO C=CC[N@@H+](Cc1nc(CC)cc(=O)[nH]1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000468268156 560925906 /nfs/dbraw/zinc/92/59/06/560925906.db2.gz OUYZONKGJMCEIS-CQSZACIVSA-N 1 2 365.441 2.470 20 30 FEEDLO C=CC[N@H+](Cc1nc(CC)cc(=O)[nH]1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000468268156 560925907 /nfs/dbraw/zinc/92/59/07/560925907.db2.gz OUYZONKGJMCEIS-CQSZACIVSA-N 1 2 365.441 2.470 20 30 FEEDLO CN(CC1CC1)C(=O)C[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000470998308 560996172 /nfs/dbraw/zinc/99/61/72/560996172.db2.gz XXNNSMCQMZEEGU-SFHVURJKSA-N 1 2 360.889 2.391 20 30 FEEDLO N#C[C@H](c1cccc(Cl)c1)N1CC[NH+](CCN2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000471024950 560996623 /nfs/dbraw/zinc/99/66/23/560996623.db2.gz GLWIKTWIXINZCF-HSALFYBXSA-N 1 2 374.916 2.385 20 30 FEEDLO N#Cc1cccc(N2CC[NH+]([C@H]3CCN(C4CCCCC4)C3=O)CC2)n1 ZINC000528447813 562329916 /nfs/dbraw/zinc/32/99/16/562329916.db2.gz FORFAHKKEGSCEU-SFHVURJKSA-N 1 2 353.470 2.009 20 30 FEEDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)Cc1ccc(C#N)nc1 ZINC000528629471 562339065 /nfs/dbraw/zinc/33/90/65/562339065.db2.gz ZSQYLGGBTTVFGJ-UHFFFAOYSA-N 1 2 350.422 2.275 20 30 FEEDLO Cc1nc(C#N)c(N2CCC(C(=O)NCc3[nH+]ccn3CC(C)C)CC2)o1 ZINC000530437893 562411315 /nfs/dbraw/zinc/41/13/15/562411315.db2.gz BIARLVBAWZDETD-UHFFFAOYSA-N 1 2 370.457 2.240 20 30 FEEDLO C[C@H](O)C[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)Cc1ccccc1 ZINC000530665757 562419942 /nfs/dbraw/zinc/41/99/42/562419942.db2.gz NKVVROFLABBBJU-INIZCTEOSA-N 1 2 358.463 2.215 20 30 FEEDLO C[C@H](O)C[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)Cc1ccccc1 ZINC000530665757 562419943 /nfs/dbraw/zinc/41/99/43/562419943.db2.gz NKVVROFLABBBJU-INIZCTEOSA-N 1 2 358.463 2.215 20 30 FEEDLO N#Cc1cc(F)c(C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)c(F)c1 ZINC000531260941 562440030 /nfs/dbraw/zinc/44/00/30/562440030.db2.gz OHQWJLKBWHLCCG-UHFFFAOYSA-N 1 2 370.403 2.388 20 30 FEEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cc2c(c(Cl)c1)OCO2 ZINC000531801540 562457026 /nfs/dbraw/zinc/45/70/26/562457026.db2.gz NAOMTQDKEDGQKB-GFCCVEGCSA-N 1 2 371.828 2.441 20 30 FEEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cc2c(c(Cl)c1)OCO2 ZINC000531801540 562457027 /nfs/dbraw/zinc/45/70/27/562457027.db2.gz NAOMTQDKEDGQKB-GFCCVEGCSA-N 1 2 371.828 2.441 20 30 FEEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1=O ZINC000532204652 562470491 /nfs/dbraw/zinc/47/04/91/562470491.db2.gz XRXICWVUHQLXCF-SWLSCSKDSA-N 1 2 372.494 2.154 20 30 FEEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1=O ZINC000532204652 562470492 /nfs/dbraw/zinc/47/04/92/562470492.db2.gz XRXICWVUHQLXCF-SWLSCSKDSA-N 1 2 372.494 2.154 20 30 FEEDLO C[C@@H](O)C[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)Cc1ccccc1 ZINC000533148590 562499761 /nfs/dbraw/zinc/49/97/61/562499761.db2.gz WPCJWDOJOGIYMT-MRXNPFEDSA-N 1 2 358.463 2.215 20 30 FEEDLO C[C@@H](O)C[N@@H+](CCS(=O)(=O)c1cccc(C#N)c1)Cc1ccccc1 ZINC000533148590 562499762 /nfs/dbraw/zinc/49/97/62/562499762.db2.gz WPCJWDOJOGIYMT-MRXNPFEDSA-N 1 2 358.463 2.215 20 30 FEEDLO Cc1cc(N2CCN(c3cccc(C#N)n3)CC2)nc(-c2ccncc2)[nH+]1 ZINC000545470386 562627736 /nfs/dbraw/zinc/62/77/36/562627736.db2.gz LDJTUNADTPLCHH-UHFFFAOYSA-N 1 2 357.421 2.440 20 30 FEEDLO C[C@@H](C(=O)Nc1cccc2ncccc21)[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602866677 568008359 /nfs/dbraw/zinc/00/83/59/568008359.db2.gz WZDJDDXMKYWIES-XHSDSOJGSA-N 1 2 351.454 2.480 20 30 FEEDLO C[C@@H](C(=O)Nc1cccc2ncccc21)[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602866677 568008361 /nfs/dbraw/zinc/00/83/61/568008361.db2.gz WZDJDDXMKYWIES-XHSDSOJGSA-N 1 2 351.454 2.480 20 30 FEEDLO N#CC1(c2ccc(C[N@H+]3CCc4c(cccc4S(N)(=O)=O)C3)cc2)CC1 ZINC000602751774 568029933 /nfs/dbraw/zinc/02/99/33/568029933.db2.gz RRGNBWWTSPOJSO-UHFFFAOYSA-N 1 2 367.474 2.447 20 30 FEEDLO N#CC1(c2ccc(C[N@@H+]3CCc4c(cccc4S(N)(=O)=O)C3)cc2)CC1 ZINC000602751774 568029934 /nfs/dbraw/zinc/02/99/34/568029934.db2.gz RRGNBWWTSPOJSO-UHFFFAOYSA-N 1 2 367.474 2.447 20 30 FEEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602860881 568049493 /nfs/dbraw/zinc/04/94/93/568049493.db2.gz JQIUSWYBZWLIAD-KSZLIROESA-N 1 2 353.470 2.240 20 30 FEEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602860881 568049494 /nfs/dbraw/zinc/04/94/94/568049494.db2.gz JQIUSWYBZWLIAD-KSZLIROESA-N 1 2 353.470 2.240 20 30 FEEDLO CC#CC[NH2+]Cc1cn(Cc2ccc(Br)cc2[N+](=O)[O-])nn1 ZINC000603238895 568080174 /nfs/dbraw/zinc/08/01/74/568080174.db2.gz AEEFACUXRXXDIJ-UHFFFAOYSA-N 1 2 364.203 2.110 20 30 FEEDLO COc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH+]1CCN([C@@H](C#N)C(C)C)CC1 ZINC000609484788 568345007 /nfs/dbraw/zinc/34/50/07/568345007.db2.gz FVJMMRSGGWSEOZ-LNLFQRSKSA-N 1 2 372.513 2.427 20 30 FEEDLO CCOc1ccc(CN(C)C(=O)C[NH+]2CCN([C@H](C#N)C(C)C)CC2)cc1 ZINC000609485583 568346103 /nfs/dbraw/zinc/34/61/03/568346103.db2.gz SUVSQYVJYLCLAC-HXUWFJFHSA-N 1 2 372.513 2.209 20 30 FEEDLO N#Cc1cc(C[NH+]2CCOCC2)cn(CCCc2cccc(F)c2)c1=O ZINC000569538137 568406554 /nfs/dbraw/zinc/40/65/54/568406554.db2.gz TYUKCCZLOSYPEY-UHFFFAOYSA-N 1 2 355.413 2.324 20 30 FEEDLO CN(C[C@@H]1OCC[N@H+](C)[C@H]1c1ccccc1)C(=O)c1ccc(C#N)cn1 ZINC000583619199 570808857 /nfs/dbraw/zinc/80/88/57/570808857.db2.gz RVDGWYPAWRJOSF-OALUTQOASA-N 1 2 350.422 2.097 20 30 FEEDLO CN(C[C@@H]1OCC[N@@H+](C)[C@H]1c1ccccc1)C(=O)c1ccc(C#N)cn1 ZINC000583619199 570808861 /nfs/dbraw/zinc/80/88/61/570808861.db2.gz RVDGWYPAWRJOSF-OALUTQOASA-N 1 2 350.422 2.097 20 30 FEEDLO COC(=O)c1cccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)c1C#N ZINC000556829117 674423142 /nfs/dbraw/zinc/42/31/42/674423142.db2.gz XFXGNGCEIXEXRX-IUODEOHRSA-N 1 2 356.344 2.338 20 30 FEEDLO COC(=O)c1cccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)c1C#N ZINC000556829117 674423144 /nfs/dbraw/zinc/42/31/44/674423144.db2.gz XFXGNGCEIXEXRX-IUODEOHRSA-N 1 2 356.344 2.338 20 30 FEEDLO Fc1cc(C=[NH+]Nc2ccc(-c3nn[nH]n3)cc2)ccc1N1CCOCC1 ZINC000737643952 598438689 /nfs/dbraw/zinc/43/86/89/598438689.db2.gz IIOBLTJQARIGMV-UHFFFAOYSA-N 1 2 367.388 2.288 20 30 FEEDLO C[C@H](C#N)C(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000557416010 674448423 /nfs/dbraw/zinc/44/84/23/674448423.db2.gz ATCBINCKYNYMMG-LLVKDONJSA-N 1 2 351.204 2.427 20 30 FEEDLO C[C@H]([NH2+]Cc1nc(C#N)cs1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000810131914 674534070 /nfs/dbraw/zinc/53/40/70/674534070.db2.gz RFQPYZSOFNDGAO-LBPRGKRZSA-N 1 2 362.480 2.405 20 30 FEEDLO N#Cc1ccc(CN2CC[NH+](Cc3cc(-c4nn[nH]n4)cs3)CC2)cc1 ZINC000826385030 608502644 /nfs/dbraw/zinc/50/26/44/608502644.db2.gz UPIHHGZPIJSKRE-UHFFFAOYSA-N 1 2 365.466 2.118 20 30 FEEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CC[C@H](c2nnc[nH]2)C1 ZINC000563022175 674836016 /nfs/dbraw/zinc/83/60/16/674836016.db2.gz PGDMTQDXUBHQBW-QWRGUYRKSA-N 1 2 356.455 2.043 20 30 FEEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CC[C@H](c2nnc[nH]2)C1 ZINC000563022175 674836021 /nfs/dbraw/zinc/83/60/21/674836021.db2.gz PGDMTQDXUBHQBW-QWRGUYRKSA-N 1 2 356.455 2.043 20 30 FEEDLO CC[C@H](C(=O)NCc1cc(F)c(C#N)c(F)c1)[N@@H+]1CCO[C@H](CC)C1 ZINC000565201579 675102075 /nfs/dbraw/zinc/10/20/75/675102075.db2.gz NRMRJBHTHCPXKE-CXAGYDPISA-N 1 2 351.397 2.342 20 30 FEEDLO CC[C@H](C(=O)NCc1cc(F)c(C#N)c(F)c1)[N@H+]1CCO[C@H](CC)C1 ZINC000565201579 675102076 /nfs/dbraw/zinc/10/20/76/675102076.db2.gz NRMRJBHTHCPXKE-CXAGYDPISA-N 1 2 351.397 2.342 20 30 FEEDLO N#CCCNC(=O)C[N@H+]1CCC[C@@H]1Cc1ccccc1Br ZINC000817276785 675116532 /nfs/dbraw/zinc/11/65/32/675116532.db2.gz OYBCDIZAYKRNIA-CQSZACIVSA-N 1 2 350.260 2.486 20 30 FEEDLO N#CCCNC(=O)C[N@@H+]1CCC[C@@H]1Cc1ccccc1Br ZINC000817276785 675116535 /nfs/dbraw/zinc/11/65/35/675116535.db2.gz OYBCDIZAYKRNIA-CQSZACIVSA-N 1 2 350.260 2.486 20 30 FEEDLO C=C(C)Cn1c(-c2scnc2C)nnc1N(C)CC[NH+]1CCOCC1 ZINC000571880921 670936232 /nfs/dbraw/zinc/93/62/32/670936232.db2.gz KFUXVAOLWNKLJQ-UHFFFAOYSA-N 1 2 362.503 2.055 20 30 FEEDLO C=CCOc1ccc(C[NH+]2CCC(NS(C)(=O)=O)CC2)cc1Cl ZINC000123445177 671979499 /nfs/dbraw/zinc/97/94/99/671979499.db2.gz HVZIAQXDVUTOJC-UHFFFAOYSA-N 1 2 358.891 2.418 20 30 FEEDLO CNS(=O)(=O)c1ccc(C(=O)/C=C/c2c[nH+]c3ccc(C)cn23)cc1 ZINC000151388895 672161664 /nfs/dbraw/zinc/16/16/64/672161664.db2.gz OINVLTNYYTXCHM-RMKNXTFCSA-N 1 2 355.419 2.447 20 30 FEEDLO Cc1nnc([C@@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)C2)[nH]1 ZINC000591053790 672645003 /nfs/dbraw/zinc/64/50/03/672645003.db2.gz OZZGAVSYHWGPTH-GXFFZTMASA-N 1 2 358.833 2.455 20 30 FEEDLO Cc1nnc([C@@H]2CC[N@H+]([C@@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)C2)[nH]1 ZINC000591053790 672645004 /nfs/dbraw/zinc/64/50/04/672645004.db2.gz OZZGAVSYHWGPTH-GXFFZTMASA-N 1 2 358.833 2.455 20 30 FEEDLO N#Cc1sccc1S(=O)(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000593531958 672935440 /nfs/dbraw/zinc/93/54/40/672935440.db2.gz WVEYNRJLFPTTBB-UHFFFAOYSA-N 1 2 361.492 2.169 20 30 FEEDLO C[C@@H](CNS(=O)(=O)c1ccsc1C#N)[N@@H+]1CCc2sccc2C1 ZINC000593532595 672935475 /nfs/dbraw/zinc/93/54/75/672935475.db2.gz XXKVSVNUMOHASH-NSHDSACASA-N 1 2 367.521 2.406 20 30 FEEDLO C[C@@H](CNS(=O)(=O)c1ccsc1C#N)[N@H+]1CCc2sccc2C1 ZINC000593532595 672935478 /nfs/dbraw/zinc/93/54/78/672935478.db2.gz XXKVSVNUMOHASH-NSHDSACASA-N 1 2 367.521 2.406 20 30 FEEDLO N#Cc1sccc1S(=O)(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000593533110 672935792 /nfs/dbraw/zinc/93/57/92/672935792.db2.gz XCELGUUTJXMODA-UHFFFAOYSA-N 1 2 362.480 2.484 20 30 FEEDLO CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000328862763 673068279 /nfs/dbraw/zinc/06/82/79/673068279.db2.gz ZRLBDIGTXWSBRE-KBPBESRZSA-N 1 2 357.520 2.001 20 30 FEEDLO C[C@H](CNC(=O)[C@@H]1CCCC[C@@H]1C(=O)N1CCCC1)[NH+]1CCOCC1 ZINC000328876523 673068311 /nfs/dbraw/zinc/06/83/11/673068311.db2.gz ZTUGGFCDTNPJAH-ZACQAIPSSA-N 1 2 351.491 2.092 20 30 FEEDLO CC#CC[NH2+]Cc1cn(Cc2ccccc2I)nn1 ZINC000594650952 673108834 /nfs/dbraw/zinc/10/88/34/673108834.db2.gz CGAMITZLSYFFPE-UHFFFAOYSA-N 1 2 366.206 2.044 20 30 FEEDLO Cn1cc[nH+]c1[C@H]1CCCN(S(=O)(=O)Cc2ccc(C#N)cc2F)C1 ZINC000443985995 673225110 /nfs/dbraw/zinc/22/51/10/673225110.db2.gz KMYLLQOWCWDQPM-AWEZNQCLSA-N 1 2 362.430 2.140 20 30 FEEDLO Cc1cc(C#N)ccc1S(=O)(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000595394383 673241232 /nfs/dbraw/zinc/24/12/32/673241232.db2.gz WJCYMBXVZMCUDV-SFHVURJKSA-N 1 2 355.463 2.420 20 30 FEEDLO Cc1cc(C#N)ccc1S(=O)(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000595394383 673241233 /nfs/dbraw/zinc/24/12/33/673241233.db2.gz WJCYMBXVZMCUDV-SFHVURJKSA-N 1 2 355.463 2.420 20 30 FEEDLO CNS(=O)(=O)c1cccc(C(C)=NNc2cc[nH+]c3ccccc23)c1 ZINC000730147689 673263668 /nfs/dbraw/zinc/26/36/68/673263668.db2.gz IJDZUTNMCSASSR-UHFFFAOYSA-N 1 2 354.435 2.401 20 30 FEEDLO CN(CCC#N)C(=O)CC[N@@H+]1CCC[C@H]1c1nccc(C(F)(F)F)n1 ZINC000595712596 673284939 /nfs/dbraw/zinc/28/49/39/673284939.db2.gz NMWUUYPAWDZCDK-LBPRGKRZSA-N 1 2 355.364 2.394 20 30 FEEDLO CN(CCC#N)C(=O)CC[N@H+]1CCC[C@H]1c1nccc(C(F)(F)F)n1 ZINC000595712596 673284942 /nfs/dbraw/zinc/28/49/42/673284942.db2.gz NMWUUYPAWDZCDK-LBPRGKRZSA-N 1 2 355.364 2.394 20 30 FEEDLO C[C@@H]1C[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)C[C@H](CC(F)(F)F)O1 ZINC000595891320 673335754 /nfs/dbraw/zinc/33/57/54/673335754.db2.gz POVHJDJSVTZYKO-XPKDYRNWSA-N 1 2 358.360 2.340 20 30 FEEDLO C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)C[C@H](CC(F)(F)F)O1 ZINC000595891320 673335758 /nfs/dbraw/zinc/33/57/58/673335758.db2.gz POVHJDJSVTZYKO-XPKDYRNWSA-N 1 2 358.360 2.340 20 30 FEEDLO C#CCCNC(=O)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000733355612 673412283 /nfs/dbraw/zinc/41/22/83/673412283.db2.gz GHTMREJSZYEYMY-UHFFFAOYSA-N 1 2 355.360 2.436 20 30 FEEDLO N#CC1(CC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)CCCCC1 ZINC000596894116 673423687 /nfs/dbraw/zinc/42/36/87/673423687.db2.gz GSUVHGXVEFKNTR-GOSISDBHSA-N 1 2 351.516 2.175 20 30 FEEDLO C[N@H+](CCC(F)(F)F)CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 ZINC000539451750 673491184 /nfs/dbraw/zinc/49/11/84/673491184.db2.gz VSVBJZLHRPFUQT-ZDUSSCGKSA-N 1 2 374.432 2.341 20 30 FEEDLO C[N@@H+](CCC(F)(F)F)CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 ZINC000539451750 673491187 /nfs/dbraw/zinc/49/11/87/673491187.db2.gz VSVBJZLHRPFUQT-ZDUSSCGKSA-N 1 2 374.432 2.341 20 30 FEEDLO CS(=O)(=O)CC[NH+]1CCC(Nc2cc(C#N)c3ccccc3n2)CC1 ZINC000736288877 673518721 /nfs/dbraw/zinc/51/87/21/673518721.db2.gz WHFSECKCEDHSEB-UHFFFAOYSA-N 1 2 358.467 2.027 20 30 FEEDLO C[N@H+](CCC#N)C[C@H](O)CNc1ccc(F)cc1OC1CCOCC1 ZINC000819480691 675293512 /nfs/dbraw/zinc/29/35/12/675293512.db2.gz CRSLBPNVIOLXCY-OAHLLOKOSA-N 1 2 351.422 2.002 20 30 FEEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1ccc(F)cc1OC1CCOCC1 ZINC000819480691 675293515 /nfs/dbraw/zinc/29/35/15/675293515.db2.gz CRSLBPNVIOLXCY-OAHLLOKOSA-N 1 2 351.422 2.002 20 30 FEEDLO C#CCO[C@@H](C)C(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000822279057 675475633 /nfs/dbraw/zinc/47/56/33/675475633.db2.gz WUPPTSQXLUQKOF-AWEZNQCLSA-N 1 2 354.372 2.388 20 30 FEEDLO C=CCNC(=O)c1cccc(S(=O)(=O)Nc2ccc3[nH+]ccn3c2)c1 ZINC000606751652 675840205 /nfs/dbraw/zinc/84/02/05/675840205.db2.gz BPMPOVLKPZDAQD-UHFFFAOYSA-N 1 2 356.407 2.051 20 30 FEEDLO Cc1cccn2cc(CCNS(=O)(=O)c3cccc(CC#N)c3)[nH+]c12 ZINC000619488752 676380728 /nfs/dbraw/zinc/38/07/28/676380728.db2.gz ZYOQUVODKVWSAH-UHFFFAOYSA-N 1 2 354.435 2.230 20 30 FEEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NCc1ccc(C#N)c(Cl)c1 ZINC000619826834 676396508 /nfs/dbraw/zinc/39/65/08/676396508.db2.gz LEQBLYSGKVAUMF-CYBMUJFWSA-N 1 2 350.850 2.074 20 30 FEEDLO N#Cc1ccc(CNC(=O)C(=O)Nc2ccc3[nH+]ccn3c2)cc1Cl ZINC000619837453 676396946 /nfs/dbraw/zinc/39/69/46/676396946.db2.gz PEXUBQOWAZLCAN-UHFFFAOYSA-N 1 2 353.769 2.114 20 30 FEEDLO C=CCCOCC(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000677978551 679707341 /nfs/dbraw/zinc/70/73/41/679707341.db2.gz HYBGFNWBLBBVDY-AEFFLSMTSA-N 1 2 352.862 2.421 20 30 FEEDLO C=CCCOCC(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000677978551 679707342 /nfs/dbraw/zinc/70/73/42/679707342.db2.gz HYBGFNWBLBBVDY-AEFFLSMTSA-N 1 2 352.862 2.421 20 30 FEEDLO C=CCOc1c(Cl)cc(C[N@@H+]2CC[C@@H](NS(C)(=O)=O)C2)cc1OC ZINC000628180005 676793832 /nfs/dbraw/zinc/79/38/32/676793832.db2.gz YBHFOJINFYZSBW-CYBMUJFWSA-N 1 2 374.890 2.037 20 30 FEEDLO C=CCOc1c(Cl)cc(C[N@H+]2CC[C@@H](NS(C)(=O)=O)C2)cc1OC ZINC000628180005 676793833 /nfs/dbraw/zinc/79/38/33/676793833.db2.gz YBHFOJINFYZSBW-CYBMUJFWSA-N 1 2 374.890 2.037 20 30 FEEDLO CC#CC[NH2+]Cc1cn(CC(=O)Nc2cc(C)c(Cl)cc2OC)nn1 ZINC000640761605 677188067 /nfs/dbraw/zinc/18/80/67/677188067.db2.gz QWIQSIWELLQHFJ-UHFFFAOYSA-N 1 2 361.833 2.000 20 30 FEEDLO CC#CC[NH2+]Cc1cn(CC(=O)Nc2cccc(Cl)c2Cl)nn1 ZINC000640764872 677188151 /nfs/dbraw/zinc/18/81/51/677188151.db2.gz XSJQGXFUROZOPR-UHFFFAOYSA-N 1 2 352.225 2.337 20 30 FEEDLO CC#CC[NH2+]Cc1cn([C@@H](C)C(=O)N2CCC[C@H]2c2cccs2)nn1 ZINC000640927620 677191920 /nfs/dbraw/zinc/19/19/20/677191920.db2.gz WAQIMOPJFRCDTJ-HOCLYGCPSA-N 1 2 357.483 2.377 20 30 FEEDLO C=C(C)[C@H](CO)[NH+]1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000649279853 677328618 /nfs/dbraw/zinc/32/86/18/677328618.db2.gz RJMRVFAFVJZWPC-HNNXBMFYSA-N 1 2 353.260 2.144 20 30 FEEDLO C[N@H+](CC(F)F)C1CCN(C(=O)Cc2cccc(OCC#N)c2)CC1 ZINC000760624098 680695517 /nfs/dbraw/zinc/69/55/17/680695517.db2.gz BUQCMGUDVSUMRT-UHFFFAOYSA-N 1 2 351.397 2.319 20 30 FEEDLO C[N@@H+](CC(F)F)C1CCN(C(=O)Cc2cccc(OCC#N)c2)CC1 ZINC000760624098 680695518 /nfs/dbraw/zinc/69/55/18/680695518.db2.gz BUQCMGUDVSUMRT-UHFFFAOYSA-N 1 2 351.397 2.319 20 30 FEEDLO C=CC[N@@H+](CCc1ccc2c(c1)OC(F)(F)O2)[C@@H]1CCS(=O)(=O)C1 ZINC000660071025 678273440 /nfs/dbraw/zinc/27/34/40/678273440.db2.gz UMJWMNTWOVDRIX-CYBMUJFWSA-N 1 2 359.394 2.226 20 30 FEEDLO C=CC[N@H+](CCc1ccc2c(c1)OC(F)(F)O2)[C@@H]1CCS(=O)(=O)C1 ZINC000660071025 678273445 /nfs/dbraw/zinc/27/34/45/678273445.db2.gz UMJWMNTWOVDRIX-CYBMUJFWSA-N 1 2 359.394 2.226 20 30 FEEDLO C=CCCC(C)(C)NC(=O)NCC1([NH+]2CCOCC2)CC(OCC)C1 ZINC000664764517 678922592 /nfs/dbraw/zinc/92/25/92/678922592.db2.gz FIYABWDEQDQBFY-UHFFFAOYSA-N 1 2 353.507 2.300 20 30 FEEDLO C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1CC[NH+](CCOCCOC)CC1 ZINC000665384914 678957005 /nfs/dbraw/zinc/95/70/05/678957005.db2.gz RGTXAPPAHCBTFY-MSOLQXFVSA-N 1 2 353.507 2.112 20 30 FEEDLO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@](O)(C(F)F)C2)cc1C ZINC000831170427 679939816 /nfs/dbraw/zinc/93/98/16/679939816.db2.gz SGIKPWRJNSDHBJ-GOSISDBHSA-N 1 2 351.397 2.252 20 30 FEEDLO Cc1ccc(N(CCC#N)C(=O)C[N@H+]2CC[C@](O)(C(F)F)C2)cc1C ZINC000831170427 679939819 /nfs/dbraw/zinc/93/98/19/679939819.db2.gz SGIKPWRJNSDHBJ-GOSISDBHSA-N 1 2 351.397 2.252 20 30 FEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cc(OC)ns2)C1 ZINC001015816094 680052023 /nfs/dbraw/zinc/05/20/23/680052023.db2.gz HEGZGKQETXLQCU-QRTARXTBSA-N 1 2 365.499 2.214 20 30 FEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2cc(OC)ns2)C1 ZINC001015816094 680052028 /nfs/dbraw/zinc/05/20/28/680052028.db2.gz HEGZGKQETXLQCU-QRTARXTBSA-N 1 2 365.499 2.214 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1Cc1cc(OC)ns1 ZINC001024661498 680299083 /nfs/dbraw/zinc/29/90/83/680299083.db2.gz GXNGKSPLEMKTFB-BMFZPTHFSA-N 1 2 365.499 2.214 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1cc(OC)ns1 ZINC001024661498 680299085 /nfs/dbraw/zinc/29/90/85/680299085.db2.gz GXNGKSPLEMKTFB-BMFZPTHFSA-N 1 2 365.499 2.214 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC(C[N@@H+](C)Cc2nncs2)CC1 ZINC001029965803 680394840 /nfs/dbraw/zinc/39/48/40/680394840.db2.gz BCJWYXZKNVQHTP-CVEARBPZSA-N 1 2 364.515 2.190 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC(C[N@H+](C)Cc2nncs2)CC1 ZINC001029965803 680394841 /nfs/dbraw/zinc/39/48/41/680394841.db2.gz BCJWYXZKNVQHTP-CVEARBPZSA-N 1 2 364.515 2.190 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1C[NH+](CC#Cc2cccc(Cl)c2)C1 ZINC001031987345 680410563 /nfs/dbraw/zinc/41/05/63/680410563.db2.gz JKNGRWQWOCRINV-MOPGFXCFSA-N 1 2 358.869 2.331 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](CC(=C)Br)C1 ZINC001033496934 680424491 /nfs/dbraw/zinc/42/44/91/680424491.db2.gz IVBPJALMPMQIRW-ILXRZTDVSA-N 1 2 357.292 2.409 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CC(=C)Br)C1 ZINC001033496934 680424493 /nfs/dbraw/zinc/42/44/93/680424493.db2.gz IVBPJALMPMQIRW-ILXRZTDVSA-N 1 2 357.292 2.409 20 30 FEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)C1 ZINC001034442858 680436134 /nfs/dbraw/zinc/43/61/34/680436134.db2.gz TWAHGHZNJXTLRK-IXDOHACOSA-N 1 2 366.893 2.011 20 30 FEEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)C1 ZINC001034442858 680436135 /nfs/dbraw/zinc/43/61/35/680436135.db2.gz TWAHGHZNJXTLRK-IXDOHACOSA-N 1 2 366.893 2.011 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1CC[NH+]([C@H](C)c2nnc(C)s2)CC1 ZINC001001852847 680478653 /nfs/dbraw/zinc/47/86/53/680478653.db2.gz XPBJVQLOVROMTE-WQVCFCJDSA-N 1 2 364.515 2.327 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=S)NC[C@@H]3CCCCO3)CC2)cc1 ZINC000758181275 680559708 /nfs/dbraw/zinc/55/97/08/680559708.db2.gz PXBHZKOIQZTFSL-SFHVURJKSA-N 1 2 358.511 2.119 20 30 FEEDLO C#CC[C@@H]1CCC[N@@H+](Cc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2Cl)C1 ZINC000843423579 681003193 /nfs/dbraw/zinc/00/31/93/681003193.db2.gz GOTRQGGYGQCJFQ-CABCVRRESA-N 1 2 369.918 2.440 20 30 FEEDLO C#CC[C@@H]1CCC[N@H+](Cc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2Cl)C1 ZINC000843423579 681003194 /nfs/dbraw/zinc/00/31/94/681003194.db2.gz GOTRQGGYGQCJFQ-CABCVRRESA-N 1 2 369.918 2.440 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cnns1 ZINC001049488619 681033357 /nfs/dbraw/zinc/03/33/57/681033357.db2.gz YWCYOEUMWBLDEP-NCOADZHNSA-N 1 2 362.499 2.085 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2Cc1cnns1 ZINC001049488619 681033358 /nfs/dbraw/zinc/03/33/58/681033358.db2.gz YWCYOEUMWBLDEP-NCOADZHNSA-N 1 2 362.499 2.085 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2Cc1cnns1 ZINC001049488622 681033372 /nfs/dbraw/zinc/03/33/72/681033372.db2.gz YWCYOEUMWBLDEP-VQHPVUNQSA-N 1 2 362.499 2.085 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2Cc1cnns1 ZINC001049488622 681033373 /nfs/dbraw/zinc/03/33/73/681033373.db2.gz YWCYOEUMWBLDEP-VQHPVUNQSA-N 1 2 362.499 2.085 20 30 FEEDLO Cc1cc(F)cc2c1ncc(C#N)c2N1CC[NH+](CC[S@@](C)=O)CC1 ZINC000771148683 681043934 /nfs/dbraw/zinc/04/39/34/681043934.db2.gz WVPHXDNQXSLDRL-RUZDIDTESA-N 1 2 360.458 2.055 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1COCC[N@@H+]1CCc1cccs1 ZINC001051154808 681064446 /nfs/dbraw/zinc/06/44/46/681064446.db2.gz JKVICTBELFRGSO-NJAFHUGGSA-N 1 2 364.511 2.089 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1COCC[N@H+]1CCc1cccs1 ZINC001051154808 681064447 /nfs/dbraw/zinc/06/44/47/681064447.db2.gz JKVICTBELFRGSO-NJAFHUGGSA-N 1 2 364.511 2.089 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2nnc(C)s2)CC1 ZINC001052388731 681076539 /nfs/dbraw/zinc/07/65/39/681076539.db2.gz KTLYWFDKBKKQLM-OAGGEKHMSA-N 1 2 364.515 2.298 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2nnc(C)s2)CC1 ZINC001052388731 681076541 /nfs/dbraw/zinc/07/65/41/681076541.db2.gz KTLYWFDKBKKQLM-OAGGEKHMSA-N 1 2 364.515 2.298 20 30 FEEDLO Cc1nsc(NCC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2C)c1C#N ZINC001053423055 681097587 /nfs/dbraw/zinc/09/75/87/681097587.db2.gz ASNKPMNVKLAYKA-DGCLKSJQSA-N 1 2 358.471 2.186 20 30 FEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CCCO[C@H]1C(C)C)O2 ZINC001053603493 681101131 /nfs/dbraw/zinc/10/11/31/681101131.db2.gz RDVZNQOMPAEBEN-BZSNNMDCSA-N 1 2 350.503 2.363 20 30 FEEDLO CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000773978933 681163155 /nfs/dbraw/zinc/16/31/55/681163155.db2.gz DPQOMGTXFMFBSZ-KGLIPLIRSA-N 1 2 361.467 2.170 20 30 FEEDLO CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000773978933 681163157 /nfs/dbraw/zinc/16/31/57/681163157.db2.gz DPQOMGTXFMFBSZ-KGLIPLIRSA-N 1 2 361.467 2.170 20 30 FEEDLO Cn1ccc(C2CC[NH+]([C@H]3CCN(c4sccc4C#N)C3=O)CC2)n1 ZINC000932144537 681183752 /nfs/dbraw/zinc/18/37/52/681183752.db2.gz UEUGXLGFNNZNGZ-INIZCTEOSA-N 1 2 355.467 2.338 20 30 FEEDLO C[N@H+](CC(=O)NC[C@H]1COc2ccccc2O1)Cc1cc(C#N)cs1 ZINC000933779294 681467537 /nfs/dbraw/zinc/46/75/37/681467537.db2.gz WULIYNTYDBGQLN-AWEZNQCLSA-N 1 2 357.435 2.008 20 30 FEEDLO C[N@@H+](CC(=O)NC[C@H]1COc2ccccc2O1)Cc1cc(C#N)cs1 ZINC000933779294 681467540 /nfs/dbraw/zinc/46/75/40/681467540.db2.gz WULIYNTYDBGQLN-AWEZNQCLSA-N 1 2 357.435 2.008 20 30 FEEDLO Cc1cc2c(c(Br)c1)NC(=O)C2=NNCCCn1cc[nH+]c1 ZINC000848418807 681536945 /nfs/dbraw/zinc/53/69/45/681536945.db2.gz UUYKAVZZXXKUJI-UHFFFAOYSA-N 1 2 362.231 2.290 20 30 FEEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CC[C@H](Cc3nccs3)C2)c1 ZINC000934333133 681553301 /nfs/dbraw/zinc/55/33/01/681553301.db2.gz MSQJBMOHYWIIGN-OAHLLOKOSA-N 1 2 361.492 2.353 20 30 FEEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CC[C@H](Cc3nccs3)C2)c1 ZINC000934333133 681553303 /nfs/dbraw/zinc/55/33/03/681553303.db2.gz MSQJBMOHYWIIGN-OAHLLOKOSA-N 1 2 361.492 2.353 20 30 FEEDLO Cc1ncc(C=NNC2=[NH+]C[C@@H](C)N2)n1-c1ccc(Br)cc1 ZINC000779791207 681753373 /nfs/dbraw/zinc/75/33/73/681753373.db2.gz HSLWOQYIWXODQG-SNVBAGLBSA-N 1 2 361.247 2.214 20 30 FEEDLO O=S(=O)(NN=Cc1cc(-n2cc[nH+]c2)cs1)c1ccc(F)cc1 ZINC000783854327 682181650 /nfs/dbraw/zinc/18/16/50/682181650.db2.gz ONSPXCLMNPRIJH-UHFFFAOYSA-N 1 2 350.400 2.385 20 30 FEEDLO C=CCOC(=O)C1C(C)=NC(=S)N[C@@H]1c1cc(-n2cc[nH+]c2)cs1 ZINC000783936882 682187649 /nfs/dbraw/zinc/18/76/49/682187649.db2.gz BEPXOVLHCXEJIZ-CQSZACIVSA-N 1 2 360.464 2.456 20 30 FEEDLO CCC#C[C@@H](C)[NH+]1CCC(n2nncc2I)CC1 ZINC000852533319 682296992 /nfs/dbraw/zinc/29/69/92/682296992.db2.gz XYICONHARVHLGN-LLVKDONJSA-N 1 2 358.227 2.322 20 30 FEEDLO COc1ccc(C2N=NC(=S)N2N=Cc2c[nH+]c(C)n2C)cc1OC ZINC000853272812 682400987 /nfs/dbraw/zinc/40/09/87/682400987.db2.gz ZHTIBXVSCZWLFJ-UHFFFAOYSA-N 1 2 358.427 2.175 20 30 FEEDLO CC(C)(C)NS(=O)(=O)c1ccccc1N=NCc1c[nH+]c2n1CCC2 ZINC000853292884 682403320 /nfs/dbraw/zinc/40/33/20/682403320.db2.gz YPTDLMLBWNTJEZ-UHFFFAOYSA-N 1 2 361.471 2.352 20 30 FEEDLO C#CCC[N@@H+](CCOC)CN1C(=O)C[C@@](C)(c2ccc(Cl)cc2)C1=O ZINC000853620716 682446441 /nfs/dbraw/zinc/44/64/41/682446441.db2.gz BAXFNKPSFMLLSH-IBGZPJMESA-N 1 2 362.857 2.286 20 30 FEEDLO C#CCC[N@H+](CCOC)CN1C(=O)C[C@@](C)(c2ccc(Cl)cc2)C1=O ZINC000853620716 682446444 /nfs/dbraw/zinc/44/64/44/682446444.db2.gz BAXFNKPSFMLLSH-IBGZPJMESA-N 1 2 362.857 2.286 20 30 FEEDLO C#CCC[NH+]1CCN(C(=O)c2cnn(Cc3ccccc3)c2Cl)CC1 ZINC000795917352 683108350 /nfs/dbraw/zinc/10/83/50/683108350.db2.gz NPAKZCPBXKIXHS-UHFFFAOYSA-N 1 2 356.857 2.366 20 30 FEEDLO C#CCC[C@H](O)CNC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000799181427 683434402 /nfs/dbraw/zinc/43/44/02/683434402.db2.gz JXAVPOHFNBSBJR-HIFRSBDPSA-N 1 2 350.488 2.271 20 30 FEEDLO C#CCC[C@H](O)CNC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000799181427 683434408 /nfs/dbraw/zinc/43/44/08/683434408.db2.gz JXAVPOHFNBSBJR-HIFRSBDPSA-N 1 2 350.488 2.271 20 30 FEEDLO NC(=NOC1CC(CF)(CF)C1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000871729247 684849982 /nfs/dbraw/zinc/84/99/82/684849982.db2.gz HDFWZHPXMXLQMP-UHFFFAOYSA-N 1 2 353.413 2.244 20 30 FEEDLO C=CCNC(=O)NC(=O)C[NH2+]C(C)(C)c1nc2cc(Cl)ccc2o1 ZINC000879157360 686755162 /nfs/dbraw/zinc/75/51/62/686755162.db2.gz HHYJVWYKSYJOJU-UHFFFAOYSA-N 1 2 350.806 2.318 20 30 FEEDLO C#CCC1(O)CC[NH+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000880481506 687052954 /nfs/dbraw/zinc/05/29/54/687052954.db2.gz KALKNXFTAHSGAP-CYBMUJFWSA-N 1 2 357.479 2.286 20 30 FEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCc2c(cccc2C(F)(F)F)C1 ZINC000884435631 687870516 /nfs/dbraw/zinc/87/05/16/687870516.db2.gz DSEZHGZPJKHJHA-AWEZNQCLSA-N 1 2 356.344 2.037 20 30 FEEDLO CN(Cc1cc(C#N)cs1)C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000887970520 688527852 /nfs/dbraw/zinc/52/78/52/688527852.db2.gz CPQYZIMJZWSHTO-UHFFFAOYSA-N 1 2 357.483 2.224 20 30 FEEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cc(Cl)ccc2SC)C1 ZINC000891605660 689082944 /nfs/dbraw/zinc/08/29/44/689082944.db2.gz HWFWAYOTOVMBQQ-CYBMUJFWSA-N 1 2 365.886 2.214 20 30 FEEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cc(Cl)ccc2SC)C1 ZINC000891605660 689082949 /nfs/dbraw/zinc/08/29/49/689082949.db2.gz HWFWAYOTOVMBQQ-CYBMUJFWSA-N 1 2 365.886 2.214 20 30 FEEDLO CC#CC[NH2+]Cc1cn(Cc2c(Br)cccc2[N+](=O)[O-])nn1 ZINC000900640899 690541994 /nfs/dbraw/zinc/54/19/94/690541994.db2.gz GTMQGGXKBFWTLV-UHFFFAOYSA-N 1 2 364.203 2.110 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Cc3ccc4c(c3)CCO4)CC2)cc1 ZINC000014043573 539592981 /nfs/dbraw/zinc/59/29/81/539592981.db2.gz FDQQRONPKCQJBY-UHFFFAOYSA-N 1 2 361.445 2.380 20 30 FEEDLO CN(C(=O)C[N@H+](C)C[C@H]1COc2ccccc2O1)C1(C#N)CCCCC1 ZINC000014925738 539606960 /nfs/dbraw/zinc/60/69/60/539606960.db2.gz JRIXPFFPCSJWAI-INIZCTEOSA-N 1 2 357.454 2.443 20 30 FEEDLO CN(C(=O)C[N@@H+](C)C[C@H]1COc2ccccc2O1)C1(C#N)CCCCC1 ZINC000014925738 539606963 /nfs/dbraw/zinc/60/69/63/539606963.db2.gz JRIXPFFPCSJWAI-INIZCTEOSA-N 1 2 357.454 2.443 20 30 FEEDLO CC[C@H]1CCCCN1C(=O)CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000022778723 539698448 /nfs/dbraw/zinc/69/84/48/539698448.db2.gz LOUNAPLDKCLJFY-FQEVSTJZSA-N 1 2 354.498 2.467 20 30 FEEDLO CC[C@H]1CCCCN1C(=O)C[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000022778723 539698450 /nfs/dbraw/zinc/69/84/50/539698450.db2.gz LOUNAPLDKCLJFY-FQEVSTJZSA-N 1 2 354.498 2.467 20 30 FEEDLO CC(C)(C)CC(=O)N1CC[NH+](C[C@@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000028921995 539839848 /nfs/dbraw/zinc/83/98/48/539839848.db2.gz DKSONUUHRCWUQZ-GOSISDBHSA-N 1 2 373.497 2.073 20 30 FEEDLO Cc1ccc(CNC(=O)[C@H](C)[NH+]2CCN(c3cc(C#N)ccn3)CC2)cc1 ZINC000029447271 539853687 /nfs/dbraw/zinc/85/36/87/539853687.db2.gz CZSZPVDDLSLYOV-KRWDZBQOSA-N 1 2 363.465 2.089 20 30 FEEDLO COc1ccc(NC(=O)[C@@H](C)[NH+]2CCN(c3cc(C#N)ccn3)CC2)cc1 ZINC000029447063 539853776 /nfs/dbraw/zinc/85/37/76/539853776.db2.gz MAAXBKDJFHBOHT-OAHLLOKOSA-N 1 2 365.437 2.111 20 30 FEEDLO C=CCOc1ccc(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)cc1 ZINC000031936395 539923187 /nfs/dbraw/zinc/92/31/87/539923187.db2.gz GANYZBSAINGEAN-IBGZPJMESA-N 1 2 362.495 2.189 20 30 FEEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)[C@@H]2CCN(c3ccccc3)[C@H]2C)c1C#N ZINC000530405783 539963066 /nfs/dbraw/zinc/96/30/66/539963066.db2.gz VRPGBSLJQGDPGS-GOEBONIOSA-N 1 2 366.469 2.287 20 30 FEEDLO N#Cc1ccc(N2CC[NH+](CC(=O)Nc3ccc4c(c3)CCC4)CC2)nc1 ZINC000039265398 540001726 /nfs/dbraw/zinc/00/17/26/540001726.db2.gz QXILZCJRTDKEBD-UHFFFAOYSA-N 1 2 361.449 2.203 20 30 FEEDLO COc1ccc(C#N)cc1NC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000050107622 540399344 /nfs/dbraw/zinc/39/93/44/540399344.db2.gz YPUCCWQJQAQPQC-UHFFFAOYSA-N 1 2 351.410 2.312 20 30 FEEDLO C[C@H](c1nnnn1-c1ccccc1)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000051621462 540439540 /nfs/dbraw/zinc/43/95/40/540439540.db2.gz BOOKFFAVWNZJMV-QGZVFWFLSA-N 1 2 373.464 2.413 20 30 FEEDLO C=CCNC(=O)CN1CC[NH+](Cc2ccc(Cl)c3cccnc23)CC1 ZINC000052304708 540461853 /nfs/dbraw/zinc/46/18/53/540461853.db2.gz HOGHVQPBVLHFGF-UHFFFAOYSA-N 1 2 358.873 2.308 20 30 FEEDLO C=CCNC(=O)C[NH+]1CCN(Cc2ccc(Cl)c3cccnc23)CC1 ZINC000052304708 540461855 /nfs/dbraw/zinc/46/18/55/540461855.db2.gz HOGHVQPBVLHFGF-UHFFFAOYSA-N 1 2 358.873 2.308 20 30 FEEDLO C[C@H](C(=O)N1CCCCCC1)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000052660843 540480292 /nfs/dbraw/zinc/48/02/92/540480292.db2.gz WVIHGWSZPPRSRJ-GOSISDBHSA-N 1 2 354.498 2.467 20 30 FEEDLO C[C@H](C(=O)N1CCCCCC1)[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000052660843 540480293 /nfs/dbraw/zinc/48/02/93/540480293.db2.gz WVIHGWSZPPRSRJ-GOSISDBHSA-N 1 2 354.498 2.467 20 30 FEEDLO N#Cc1ccc(CN2CCN(C(=O)NCCCCn3cc[nH+]c3)CC2)cc1 ZINC000057373119 540792187 /nfs/dbraw/zinc/79/21/87/540792187.db2.gz MFJWXQMSAKBOMX-UHFFFAOYSA-N 1 2 366.469 2.062 20 30 FEEDLO CC[C@@H](C)n1[nH]c(=NC(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1C ZINC000538355171 540846699 /nfs/dbraw/zinc/84/66/99/540846699.db2.gz GIIYMZJHFZMVPA-OAHLLOKOSA-N 1 2 362.478 2.242 20 30 FEEDLO N#Cc1ccc(N2CC[NH+](CC(=O)NCCC3CCCCC3)CC2)nc1 ZINC000060480361 541113560 /nfs/dbraw/zinc/11/35/60/541113560.db2.gz MGJVLBADAPDHSF-UHFFFAOYSA-N 1 2 355.486 2.162 20 30 FEEDLO C[C@@H]1CCCC[C@H]1NC(=O)C[N@@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000064634332 541214156 /nfs/dbraw/zinc/21/41/56/541214156.db2.gz AQAPMWDSESDEKN-SJLPKXTDSA-N 1 2 355.486 2.160 20 30 FEEDLO C[C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000064634332 541214158 /nfs/dbraw/zinc/21/41/58/541214158.db2.gz AQAPMWDSESDEKN-SJLPKXTDSA-N 1 2 355.486 2.160 20 30 FEEDLO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(c2ccc(Cl)c(C#N)n2)CC1 ZINC000067371995 541451442 /nfs/dbraw/zinc/45/14/42/541451442.db2.gz HUFDDCRYTJVQEN-CYBMUJFWSA-N 1 2 361.877 2.176 20 30 FEEDLO N#Cc1cccnc1N1CC[NH+](CC(=O)N2CCC[C@H]3CCCC[C@H]32)CC1 ZINC000073108570 541919942 /nfs/dbraw/zinc/91/99/42/541919942.db2.gz XOLFMKHRJZYWST-IEBWSBKVSA-N 1 2 367.497 2.256 20 30 FEEDLO CCc1[nH+]c2ccccc2n1CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 ZINC000073528153 541962043 /nfs/dbraw/zinc/96/20/43/541962043.db2.gz LPWISXHFFRLVJR-GOSISDBHSA-N 1 2 353.470 2.291 20 30 FEEDLO CC(=O)N1CCC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)CC1 ZINC000078654897 542474508 /nfs/dbraw/zinc/47/45/08/542474508.db2.gz AJTSHHREHGMTBG-GOSISDBHSA-N 1 2 370.497 2.493 20 30 FEEDLO CC(=O)N1CCC[N@H+]([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)CC1 ZINC000078654897 542474509 /nfs/dbraw/zinc/47/45/09/542474509.db2.gz AJTSHHREHGMTBG-GOSISDBHSA-N 1 2 370.497 2.493 20 30 FEEDLO CN(C(=O)CN1CC[NH+](Cc2cccc(O)c2)CC1)C1(C#N)CCCCC1 ZINC000081010982 542624193 /nfs/dbraw/zinc/62/41/93/542624193.db2.gz ADGGPEQZTCQQIY-UHFFFAOYSA-N 1 2 370.497 2.195 20 30 FEEDLO N#CCC[N@@H+](CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)CC1CC1 ZINC000081043643 542627349 /nfs/dbraw/zinc/62/73/49/542627349.db2.gz CIJVPLOQTNAWDR-UHFFFAOYSA-N 1 2 368.481 2.489 20 30 FEEDLO N#CCC[N@H+](CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)CC1CC1 ZINC000081043643 542627354 /nfs/dbraw/zinc/62/73/54/542627354.db2.gz CIJVPLOQTNAWDR-UHFFFAOYSA-N 1 2 368.481 2.489 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@@H](Oc3ccccc3)C2)cc1 ZINC000081513508 542661863 /nfs/dbraw/zinc/66/18/63/542661863.db2.gz OLIHVQGVWFIJNU-GOSISDBHSA-N 1 2 356.447 2.485 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@@H](Oc3ccccc3)C2)cc1 ZINC000081513508 542661867 /nfs/dbraw/zinc/66/18/67/542661867.db2.gz OLIHVQGVWFIJNU-GOSISDBHSA-N 1 2 356.447 2.485 20 30 FEEDLO Cc1ccc2[nH+]c(CN3CCN(Cc4ccc(C#N)cc4)C(=O)C3)cn2c1 ZINC000084091963 542707697 /nfs/dbraw/zinc/70/76/97/542707697.db2.gz DJLHRFJFAXSSPU-UHFFFAOYSA-N 1 2 359.433 2.359 20 30 FEEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN(Cc2nccn2C(F)F)CC1 ZINC000086230456 542735215 /nfs/dbraw/zinc/73/52/15/542735215.db2.gz WGGHJWJUBLDABR-HNNXBMFYSA-N 1 2 369.460 2.209 20 30 FEEDLO CC(=O)NC[C@H]1CCC[N@H+](Cc2c(C#N)c(C)nn2-c2ccccc2)C1 ZINC000091067557 542793002 /nfs/dbraw/zinc/79/30/02/542793002.db2.gz NRKRMKBZWOWQHI-QGZVFWFLSA-N 1 2 351.454 2.401 20 30 FEEDLO CC(=O)NC[C@H]1CCC[N@@H+](Cc2c(C#N)c(C)nn2-c2ccccc2)C1 ZINC000091067557 542793005 /nfs/dbraw/zinc/79/30/05/542793005.db2.gz NRKRMKBZWOWQHI-QGZVFWFLSA-N 1 2 351.454 2.401 20 30 FEEDLO CC(C)n1nccc1NC(=O)[C@H](C)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000101554824 543032692 /nfs/dbraw/zinc/03/26/92/543032692.db2.gz NDIULENAOVLYJW-INIZCTEOSA-N 1 2 366.469 2.485 20 30 FEEDLO NC(CN1CCOCC1)=[NH+]OCc1coc(-c2cccc(Cl)c2)n1 ZINC000111182247 543384062 /nfs/dbraw/zinc/38/40/62/543384062.db2.gz GWONZECGLUKVCV-UHFFFAOYSA-N 1 2 350.806 2.116 20 30 FEEDLO CSc1[nH]c(=O)c(C(=O)NCCCCC[NH+]2CCCCC2)cc1C#N ZINC000111646291 543410216 /nfs/dbraw/zinc/41/02/16/543410216.db2.gz NUAJTLLHGPREMC-UHFFFAOYSA-N 1 2 362.499 2.354 20 30 FEEDLO Cc1nsc(N2CCC[N@@H+]([C@H](C)C(=O)Nc3ccccc3C#N)CC2)n1 ZINC000247472165 549338436 /nfs/dbraw/zinc/33/84/36/549338436.db2.gz JIAAXSVWWDZELH-CYBMUJFWSA-N 1 2 370.482 2.258 20 30 FEEDLO Cc1nsc(N2CCC[N@H+]([C@H](C)C(=O)Nc3ccccc3C#N)CC2)n1 ZINC000247472165 549338440 /nfs/dbraw/zinc/33/84/40/549338440.db2.gz JIAAXSVWWDZELH-CYBMUJFWSA-N 1 2 370.482 2.258 20 30 FEEDLO O=C(C[NH+]1CCN(CC#Cc2ccc(F)cc2)CC1)NCc1ccccc1 ZINC000120802709 543684895 /nfs/dbraw/zinc/68/48/95/543684895.db2.gz BYOCVLPPXFEVRD-UHFFFAOYSA-N 1 2 365.452 2.111 20 30 FEEDLO COCC[N@H+](CC(=O)NCc1ccc(F)cc1)Cc1ccc(C#N)cc1 ZINC000123429768 543761882 /nfs/dbraw/zinc/76/18/82/543761882.db2.gz DKZDGAGPRBQACM-UHFFFAOYSA-N 1 2 355.413 2.462 20 30 FEEDLO COCC[N@@H+](CC(=O)NCc1ccc(F)cc1)Cc1ccc(C#N)cc1 ZINC000123429768 543761883 /nfs/dbraw/zinc/76/18/83/543761883.db2.gz DKZDGAGPRBQACM-UHFFFAOYSA-N 1 2 355.413 2.462 20 30 FEEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN(c2ncnc3ccsc32)CC1 ZINC000124354735 543816610 /nfs/dbraw/zinc/81/66/10/543816610.db2.gz CVFYBJWHKVPZOJ-HNNXBMFYSA-N 1 2 371.510 2.402 20 30 FEEDLO C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)c1ccc(C#N)[nH]1 ZINC000124054798 543798872 /nfs/dbraw/zinc/79/88/72/543798872.db2.gz XYGCGDJGPPWMAJ-INIZCTEOSA-N 1 2 352.438 2.249 20 30 FEEDLO N#CC1(C(=O)NCc2ccccc2OCC[NH+]2CCOCC2)CCCC1 ZINC000124718239 543838301 /nfs/dbraw/zinc/83/83/01/543838301.db2.gz MFXWMCPZUATSJI-UHFFFAOYSA-N 1 2 357.454 2.098 20 30 FEEDLO C[N@@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C[C@@H]1CCCCO1 ZINC000126092687 543917539 /nfs/dbraw/zinc/91/75/39/543917539.db2.gz CDSKKDNZJPGJFN-KRWDZBQOSA-N 1 2 353.426 2.183 20 30 FEEDLO C[N@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C[C@@H]1CCCCO1 ZINC000126092687 543917542 /nfs/dbraw/zinc/91/75/42/543917542.db2.gz CDSKKDNZJPGJFN-KRWDZBQOSA-N 1 2 353.426 2.183 20 30 FEEDLO Cc1cc(C(=O)N2CC[NH+](C[C@@H](O)c3ccc(C#N)cc3)CC2)c(C)o1 ZINC000127293025 543983626 /nfs/dbraw/zinc/98/36/26/543983626.db2.gz PQQODDVADYIONS-LJQANCHMSA-N 1 2 353.422 2.260 20 30 FEEDLO Cc1ccc(C[NH+]2CCOCC2)cc1NS(=O)(=O)c1cccc(C#N)c1 ZINC000127335881 543986756 /nfs/dbraw/zinc/98/67/56/543986756.db2.gz KRWAZKZFUHCQEH-UHFFFAOYSA-N 1 2 371.462 2.500 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Cc1ccc(F)cc1Cl ZINC000127451260 543994114 /nfs/dbraw/zinc/99/41/14/543994114.db2.gz DEOHIHQBKJPCFA-UHFFFAOYSA-N 1 2 353.825 2.096 20 30 FEEDLO Cc1ccccc1CNC(=O)[C@@H](C)[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000127487273 543996539 /nfs/dbraw/zinc/99/65/39/543996539.db2.gz RZNMENRDAGMVDU-QGZVFWFLSA-N 1 2 363.465 2.089 20 30 FEEDLO C=CC[C@@H](C)[C@@H](C)[NH2+]C1CCN(S(=O)(=O)NCC(F)(F)F)CC1 ZINC000130535977 544155204 /nfs/dbraw/zinc/15/52/04/544155204.db2.gz XIITUHNKQRKGNA-VXGBXAGGSA-N 1 2 357.442 2.038 20 30 FEEDLO Cc1[nH+]c2ccccc2n1CCNC(=O)C(=O)Nc1ccc(C#N)cc1F ZINC000135847870 544362464 /nfs/dbraw/zinc/36/24/64/544362464.db2.gz ITGNCXOREBWFFO-UHFFFAOYSA-N 1 2 365.368 2.110 20 30 FEEDLO C=CCNc1ncc(C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)s1 ZINC000136104768 544366609 /nfs/dbraw/zinc/36/66/09/544366609.db2.gz AUGQBJFCFOFBSP-CHWSQXEVSA-N 1 2 352.504 2.359 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)Cc1cc(Br)cn1C ZINC000151524077 544552362 /nfs/dbraw/zinc/55/23/62/544552362.db2.gz BVYGCVCZKLHJMA-HNNXBMFYSA-N 1 2 355.280 2.274 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)Cc1cc(Br)cn1C ZINC000151524077 544552366 /nfs/dbraw/zinc/55/23/66/544552366.db2.gz BVYGCVCZKLHJMA-HNNXBMFYSA-N 1 2 355.280 2.274 20 30 FEEDLO O=C(C[N@@H+]1CCOC2(CCC2)C1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000154116576 544866285 /nfs/dbraw/zinc/86/62/85/544866285.db2.gz MWFUXKRMAASXTJ-UHFFFAOYSA-N 1 2 366.383 2.428 20 30 FEEDLO O=C(C[N@H+]1CCOC2(CCC2)C1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000154116576 544866287 /nfs/dbraw/zinc/86/62/87/544866287.db2.gz MWFUXKRMAASXTJ-UHFFFAOYSA-N 1 2 366.383 2.428 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cnn(-c2ccc(F)cc2)c1 ZINC000154753645 544945155 /nfs/dbraw/zinc/94/51/55/544945155.db2.gz UEORXXHDRIVZTR-UHFFFAOYSA-N 1 2 357.433 2.059 20 30 FEEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)o2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000553533454 674268448 /nfs/dbraw/zinc/26/84/48/674268448.db2.gz LONOUWAYFDGVTJ-CABCVRRESA-N 1 2 359.451 2.435 20 30 FEEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)o2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000553533454 674268451 /nfs/dbraw/zinc/26/84/51/674268451.db2.gz LONOUWAYFDGVTJ-CABCVRRESA-N 1 2 359.451 2.435 20 30 FEEDLO Cc1nnc([C@H]2C[N@H+](Cc3cccn3Cc3ccccc3C#N)CCO2)[nH]1 ZINC000187419240 328024036 /nfs/dbraw/zinc/02/40/36/328024036.db2.gz OJMHMRDIUFPRBX-LJQANCHMSA-N 1 2 362.437 2.408 20 30 FEEDLO Cc1nnc([C@H]2C[N@@H+](Cc3cccn3Cc3ccccc3C#N)CCO2)[nH]1 ZINC000187419240 328024038 /nfs/dbraw/zinc/02/40/38/328024038.db2.gz OJMHMRDIUFPRBX-LJQANCHMSA-N 1 2 362.437 2.408 20 30 FEEDLO Cc1cccc([C@@H](CNC(=O)c2ccnc(C#N)c2)[NH+]2CCOCC2)c1 ZINC000192679243 328332762 /nfs/dbraw/zinc/33/27/62/328332762.db2.gz LBIHBQPVGUCIAN-LJQANCHMSA-N 1 2 350.422 2.065 20 30 FEEDLO C[C@H](c1cccnc1)[NH+]1CCN(C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000118836555 326106675 /nfs/dbraw/zinc/10/66/75/326106675.db2.gz YIYQRFVZDSLQCY-XLIONFOSSA-N 1 2 366.465 2.072 20 30 FEEDLO N#Cc1cc(F)c(S(=O)(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)c(F)c1 ZINC000121394959 326335580 /nfs/dbraw/zinc/33/55/80/326335580.db2.gz SHNGVZXIYPHJDW-ZDUSSCGKSA-N 1 2 352.366 2.475 20 30 FEEDLO COc1cc(C#N)ccc1OCC(=O)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000155459297 326788649 /nfs/dbraw/zinc/78/86/49/326788649.db2.gz WHMHRFZVJCYWNE-INIZCTEOSA-N 1 2 366.421 2.126 20 30 FEEDLO C[C@@H]1CN(c2nccnc2C#N)CCN1Cc1cn2cc(Cl)ccc2[nH+]1 ZINC000155532401 326792096 /nfs/dbraw/zinc/79/20/96/326792096.db2.gz JKFACXFPTBQHBN-CYBMUJFWSA-N 1 2 367.844 2.360 20 30 FEEDLO N#Cc1cc(Cl)ccc1S(=O)(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000159308628 326926660 /nfs/dbraw/zinc/92/66/60/326926660.db2.gz DZPWGJWQOXVKRW-AWEZNQCLSA-N 1 2 362.842 2.164 20 30 FEEDLO COc1ccc(C#N)cc1CN1CC[NH+]([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC000159838416 326943805 /nfs/dbraw/zinc/94/38/05/326943805.db2.gz JHNKVXOABULPTN-INIZCTEOSA-N 1 2 370.497 2.132 20 30 FEEDLO Cc1cc(C#N)ccc1C(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000161743822 327008003 /nfs/dbraw/zinc/00/80/03/327008003.db2.gz XPJOLAIYTFGYJY-HNNXBMFYSA-N 1 2 350.422 2.417 20 30 FEEDLO N#Cc1cc(S(=O)(=O)N[C@H]2CCCN(c3cccc[nH+]3)C2)ccc1F ZINC000166124034 327080592 /nfs/dbraw/zinc/08/05/92/327080592.db2.gz YJXZJFWEPHBYRR-AWEZNQCLSA-N 1 2 360.414 2.040 20 30 FEEDLO COc1cccc([C@H]2C[N@H+](C[C@H](O)COc3ccc(C#N)cc3)CCO2)c1 ZINC000167597956 327085596 /nfs/dbraw/zinc/08/55/96/327085596.db2.gz ZWFHJMSCFREDNZ-GHTZIAJQSA-N 1 2 368.433 2.380 20 30 FEEDLO COc1cccc([C@H]2C[N@@H+](C[C@H](O)COc3ccc(C#N)cc3)CCO2)c1 ZINC000167597956 327085597 /nfs/dbraw/zinc/08/55/97/327085597.db2.gz ZWFHJMSCFREDNZ-GHTZIAJQSA-N 1 2 368.433 2.380 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)cn1 ZINC000170654966 327091323 /nfs/dbraw/zinc/09/13/23/327091323.db2.gz OBNJMPQJKXZRRM-INIZCTEOSA-N 1 2 360.439 2.052 20 30 FEEDLO CC1CCN(c2ccc(CNS(=O)(=O)c3ccc(C#N)nc3)c[nH+]2)CC1 ZINC000170663841 327092349 /nfs/dbraw/zinc/09/23/49/327092349.db2.gz NQLXBLLBKKXBBJ-UHFFFAOYSA-N 1 2 371.466 2.063 20 30 FEEDLO N#Cc1ccc(CC(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)cc1 ZINC000171886417 327167510 /nfs/dbraw/zinc/16/75/10/327167510.db2.gz DDCPBWBPYWOUSO-NRFANRHFSA-N 1 2 363.461 2.160 20 30 FEEDLO C[C@H](CNC(=O)OC(C)(C)C)[N@H+](C)CC(=O)Nc1sccc1C#N ZINC000171957272 327172633 /nfs/dbraw/zinc/17/26/33/327172633.db2.gz DEJAVBKHKUSXQU-LLVKDONJSA-N 1 2 352.460 2.403 20 30 FEEDLO C[C@H](CNC(=O)OC(C)(C)C)[N@@H+](C)CC(=O)Nc1sccc1C#N ZINC000171957272 327172635 /nfs/dbraw/zinc/17/26/35/327172635.db2.gz DEJAVBKHKUSXQU-LLVKDONJSA-N 1 2 352.460 2.403 20 30 FEEDLO CCc1nsc(N2CCC[N@H+](CC(=O)Nc3cccc(C#N)c3)CC2)n1 ZINC000174045935 327303391 /nfs/dbraw/zinc/30/33/91/327303391.db2.gz DIUCEVCPUSAUMT-UHFFFAOYSA-N 1 2 370.482 2.123 20 30 FEEDLO CCc1nsc(N2CCC[N@@H+](CC(=O)Nc3cccc(C#N)c3)CC2)n1 ZINC000174045935 327303393 /nfs/dbraw/zinc/30/33/93/327303393.db2.gz DIUCEVCPUSAUMT-UHFFFAOYSA-N 1 2 370.482 2.123 20 30 FEEDLO CC(C)N(C)C(=O)[C@@H](C)[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000175143050 327376335 /nfs/dbraw/zinc/37/63/35/327376335.db2.gz KILZNZXGCBPGPD-MRXNPFEDSA-N 1 2 365.481 2.484 20 30 FEEDLO N#Cc1cccnc1N1CC[NH+](CC(=O)N2CCCc3ccccc32)CC1 ZINC000247695474 328699181 /nfs/dbraw/zinc/69/91/81/328699181.db2.gz ZWVBBDAIGUUMSO-UHFFFAOYSA-N 1 2 361.449 2.055 20 30 FEEDLO C[C@@H](C(=O)N(C)C1CCCCC1)[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000248052260 328708287 /nfs/dbraw/zinc/70/82/87/328708287.db2.gz NQIUHSQHNNJPIT-INIZCTEOSA-N 1 2 355.486 2.255 20 30 FEEDLO COC(=O)[C@H]1CC12CC[NH+]([C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N)CC2 ZINC000264979880 329080547 /nfs/dbraw/zinc/08/05/47/329080547.db2.gz AERNEFPVJUDNLB-SWLSCSKDSA-N 1 2 359.426 2.370 20 30 FEEDLO CC1(C)C[NH+]=C(N2CCN(C(=O)c3c(F)cc(C#N)cc3F)CC2)S1 ZINC000268052290 329380757 /nfs/dbraw/zinc/38/07/57/329380757.db2.gz QPILVJIXXLJMCP-UHFFFAOYSA-N 1 2 364.421 2.476 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCC[C@H]3CCCCO3)CC2)cc1 ZINC000272522455 329788103 /nfs/dbraw/zinc/78/81/03/329788103.db2.gz KACMPWYSRVCSLO-LJQANCHMSA-N 1 2 356.470 2.345 20 30 FEEDLO C[C@H]([C@H](C)NC(=O)N[C@H]1CCCc2cc(C#N)ccc21)[NH+]1CCOCC1 ZINC000416696700 330261247 /nfs/dbraw/zinc/26/12/47/330261247.db2.gz VRKYPITVBDHIHZ-KHYOSLBOSA-N 1 2 356.470 2.344 20 30 FEEDLO C=C[C@@H](CC(=O)N1CC[C@H]([N@H+](C)Cc2nccc(N)n2)C1)c1ccccc1 ZINC000276647969 519293572 /nfs/dbraw/zinc/29/35/72/519293572.db2.gz YANBNHMVBNKZOK-WMZOPIPTSA-N 1 2 365.481 2.451 20 30 FEEDLO C=C[C@@H](CC(=O)N1CC[C@H]([N@@H+](C)Cc2nccc(N)n2)C1)c1ccccc1 ZINC000276647969 519293580 /nfs/dbraw/zinc/29/35/80/519293580.db2.gz YANBNHMVBNKZOK-WMZOPIPTSA-N 1 2 365.481 2.451 20 30 FEEDLO CCCNC(=O)OC[C@@H]1CCCC[N@@H+]1CC(=O)N[C@](C)(C#N)C(C)C ZINC000805774432 674353249 /nfs/dbraw/zinc/35/32/49/674353249.db2.gz KGFMWKYBRBAZPL-MAUKXSAKSA-N 1 2 352.479 2.032 20 30 FEEDLO CCCNC(=O)OC[C@@H]1CCCC[N@H+]1CC(=O)N[C@](C)(C#N)C(C)C ZINC000805774432 674353250 /nfs/dbraw/zinc/35/32/50/674353250.db2.gz KGFMWKYBRBAZPL-MAUKXSAKSA-N 1 2 352.479 2.032 20 30 FEEDLO N#Cc1cc(F)ccc1S(=O)(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000156368293 545622105 /nfs/dbraw/zinc/62/21/05/545622105.db2.gz VSRYYOAXLBBYLR-UHFFFAOYSA-N 1 2 359.426 2.034 20 30 FEEDLO N#Cc1cc(F)ccc1S(=O)(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000156368293 545622108 /nfs/dbraw/zinc/62/21/08/545622108.db2.gz VSRYYOAXLBBYLR-UHFFFAOYSA-N 1 2 359.426 2.034 20 30 FEEDLO CC[C@@H]1C(=O)NCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000156527069 545633454 /nfs/dbraw/zinc/63/34/54/545633454.db2.gz UEBKAXZPMISQMN-CQSZACIVSA-N 1 2 360.483 2.038 20 30 FEEDLO CC[C@@H]1C(=O)NCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000156527069 545633457 /nfs/dbraw/zinc/63/34/57/545633457.db2.gz UEBKAXZPMISQMN-CQSZACIVSA-N 1 2 360.483 2.038 20 30 FEEDLO N#Cc1ccc2[nH+]cc(CNc3cccc(N4CCCS4(=O)=O)c3)n2c1 ZINC000156574303 545636284 /nfs/dbraw/zinc/63/62/84/545636284.db2.gz YBAIRKIRAORDGV-UHFFFAOYSA-N 1 2 367.434 2.358 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Cc1csc(-c2ccoc2)n1 ZINC000157844868 545791691 /nfs/dbraw/zinc/79/16/91/545791691.db2.gz MNSFESWSOUSVJZ-UHFFFAOYSA-N 1 2 374.466 2.020 20 30 FEEDLO C[C@H](c1cccc(F)c1)[NH+]1CCN(CC(=O)N[C@](C)(C#N)C2CC2)CC1 ZINC000159482982 545957363 /nfs/dbraw/zinc/95/73/63/545957363.db2.gz KNKGPGBBFJBTEQ-FOIQADDNSA-N 1 2 358.461 2.313 20 30 FEEDLO N#Cc1ccc(F)cc1CN1CC[NH+](CC(=O)NC2CCCCC2)CC1 ZINC000159756686 545978791 /nfs/dbraw/zinc/97/87/91/545978791.db2.gz PMXLOXCXZAFBDB-UHFFFAOYSA-N 1 2 358.461 2.264 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCc3ccc(F)cn3)CC2)cc1 ZINC000479579978 561192400 /nfs/dbraw/zinc/19/24/00/561192400.db2.gz DAVXWOIWBVGTNT-UHFFFAOYSA-N 1 2 353.401 2.120 20 30 FEEDLO Cc1ccccc1CNC(=O)C[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000174578082 546299273 /nfs/dbraw/zinc/29/92/73/546299273.db2.gz QBYPVNMCNAUIPU-NRFANRHFSA-N 1 2 362.477 2.494 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@@H]1C[C@@]12CCCc1ccccc12 ZINC000174686354 546302463 /nfs/dbraw/zinc/30/24/63/546302463.db2.gz OFDBCODNHPOBAW-RBBKRZOGSA-N 1 2 367.493 2.355 20 30 FEEDLO Cc1sc(NC(=O)C[NH+]2CCC(NC(=O)C3CC3)CC2)c(C#N)c1C ZINC000177026658 546526698 /nfs/dbraw/zinc/52/66/98/546526698.db2.gz ARHHPDHXYMXKMN-UHFFFAOYSA-N 1 2 360.483 2.166 20 30 FEEDLO Cc1cccn2cc(CNS(=O)(=O)Cc3ccc(C#N)cc3F)[nH+]c12 ZINC000480694374 561214499 /nfs/dbraw/zinc/21/44/99/561214499.db2.gz MRCMRMLLNNTAED-UHFFFAOYSA-N 1 2 358.398 2.273 20 30 FEEDLO CCN(CC)C(=O)CO[NH+]=C(N)c1ccc(OCc2cccnc2)cc1 ZINC000177571424 546646693 /nfs/dbraw/zinc/64/66/93/546646693.db2.gz QVGSIVRODIDAPP-UHFFFAOYSA-N 1 2 356.426 2.166 20 30 FEEDLO CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cccc(C#N)c2C)c[nH+]1 ZINC000178415945 546789497 /nfs/dbraw/zinc/78/94/97/546789497.db2.gz LQVUXQBXQUNMPG-UHFFFAOYSA-N 1 2 365.437 2.363 20 30 FEEDLO N#CC1(NC(=O)C[N@@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)CCCCC1 ZINC000179513554 546969504 /nfs/dbraw/zinc/96/95/04/546969504.db2.gz URPJCZDUKHILDP-OAHLLOKOSA-N 1 2 356.474 2.204 20 30 FEEDLO N#CC1(NC(=O)C[N@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)CCCCC1 ZINC000179513554 546969507 /nfs/dbraw/zinc/96/95/07/546969507.db2.gz URPJCZDUKHILDP-OAHLLOKOSA-N 1 2 356.474 2.204 20 30 FEEDLO CC(C)[N@H+](CCS(C)(=O)=O)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180210811 547067822 /nfs/dbraw/zinc/06/78/22/547067822.db2.gz OYMKHARTLQWUEX-UHFFFAOYSA-N 1 2 360.483 2.214 20 30 FEEDLO CC(C)[N@@H+](CCS(C)(=O)=O)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180210811 547067826 /nfs/dbraw/zinc/06/78/26/547067826.db2.gz OYMKHARTLQWUEX-UHFFFAOYSA-N 1 2 360.483 2.214 20 30 FEEDLO C[C@H]1OCC[C@H]1[N@H+](CCO)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000483279600 561272714 /nfs/dbraw/zinc/27/27/14/561272714.db2.gz RKFSDRBKEZWZDV-CRAIPNDOSA-N 1 2 355.438 2.209 20 30 FEEDLO C[C@H]1OCC[C@H]1[N@@H+](CCO)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000483279600 561272715 /nfs/dbraw/zinc/27/27/15/561272715.db2.gz RKFSDRBKEZWZDV-CRAIPNDOSA-N 1 2 355.438 2.209 20 30 FEEDLO C=CC[C@@H](CO)NC(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000183408018 547653197 /nfs/dbraw/zinc/65/31/97/547653197.db2.gz DTIDEGDRRKOXHN-KGLIPLIRSA-N 1 2 353.413 2.165 20 30 FEEDLO C=CC[C@@H](CO)NC(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000183408018 547653202 /nfs/dbraw/zinc/65/32/02/547653202.db2.gz DTIDEGDRRKOXHN-KGLIPLIRSA-N 1 2 353.413 2.165 20 30 FEEDLO C=CC[C@H](CO)NC(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000183408072 547653305 /nfs/dbraw/zinc/65/33/05/547653305.db2.gz DTIDEGDRRKOXHN-UONOGXRCSA-N 1 2 353.413 2.165 20 30 FEEDLO C=CC[C@H](CO)NC(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000183408072 547653310 /nfs/dbraw/zinc/65/33/10/547653310.db2.gz DTIDEGDRRKOXHN-UONOGXRCSA-N 1 2 353.413 2.165 20 30 FEEDLO Cc1sc(NC(=O)CN2CCN(c3cc[nH+]c(C)n3)CC2)c(C#N)c1C ZINC000183803053 547722485 /nfs/dbraw/zinc/72/24/85/547722485.db2.gz DIDRSRGPXZTVRG-UHFFFAOYSA-N 1 2 370.482 2.096 20 30 FEEDLO CCc1ccc([C@H](COC)[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)o1 ZINC000184810053 547881504 /nfs/dbraw/zinc/88/15/04/547881504.db2.gz CPRSDTITUZUVPX-KRWDZBQOSA-N 1 2 362.451 2.465 20 30 FEEDLO C[C@@H]([NH2+]CC(=O)N(CCC#N)CCC#N)c1nc(-c2cccc(F)c2)no1 ZINC000185096984 547932957 /nfs/dbraw/zinc/93/29/57/547932957.db2.gz AJXADLRDHPPZDB-CYBMUJFWSA-N 1 2 370.388 2.182 20 30 FEEDLO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@H](C)c1nc(-c2cccc(OC)c2)no1 ZINC000185134568 547938518 /nfs/dbraw/zinc/93/85/18/547938518.db2.gz WFWOVIUJOSYPOJ-ZIAGYGMSSA-N 1 2 371.441 2.404 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCO[C@]3(CCOC3)C2)c1 ZINC000185217783 547953994 /nfs/dbraw/zinc/95/39/94/547953994.db2.gz XCMNGYDYRZYZIG-HXUWFJFHSA-N 1 2 357.454 2.041 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCO[C@]3(CCOC3)C2)c1 ZINC000185217783 547953997 /nfs/dbraw/zinc/95/39/97/547953997.db2.gz XCMNGYDYRZYZIG-HXUWFJFHSA-N 1 2 357.454 2.041 20 30 FEEDLO C[C@@H]([NH2+]CC(=O)N[C@@](C)(C#N)C1CC1)c1nc(Cc2ccccc2)no1 ZINC000185383680 547977824 /nfs/dbraw/zinc/97/78/24/547977824.db2.gz YSJKMPYTFQOJOK-YJYMSZOUSA-N 1 2 353.426 2.119 20 30 FEEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@H](C)c1nc(Cc2ccccc2)no1 ZINC000185416027 547982161 /nfs/dbraw/zinc/98/21/61/547982161.db2.gz JODFVZIFBMWRJS-LSDHHAIUSA-N 1 2 355.442 2.319 20 30 FEEDLO C[C@@]1(C(N)=O)CCCC[N@@H+]1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000185896372 548054478 /nfs/dbraw/zinc/05/44/78/548054478.db2.gz LEJNKGYAGPXXDI-FQEVSTJZSA-N 1 2 352.438 2.468 20 30 FEEDLO C[C@@]1(C(N)=O)CCCC[N@H+]1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000185896372 548054481 /nfs/dbraw/zinc/05/44/81/548054481.db2.gz LEJNKGYAGPXXDI-FQEVSTJZSA-N 1 2 352.438 2.468 20 30 FEEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CC[C@H](C)C[C@@H]2C(N)=O)c1C ZINC000187446111 548257279 /nfs/dbraw/zinc/25/72/79/548257279.db2.gz JBXPTWYMIICECF-KBXCAEBGSA-N 1 2 356.470 2.136 20 30 FEEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H](C)C[C@@H]2C(N)=O)c1C ZINC000187446111 548257283 /nfs/dbraw/zinc/25/72/83/548257283.db2.gz JBXPTWYMIICECF-KBXCAEBGSA-N 1 2 356.470 2.136 20 30 FEEDLO C#CCOc1ccccc1NC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000188108578 548271807 /nfs/dbraw/zinc/27/18/07/548271807.db2.gz ILEIQXXSEIMSCI-KRWDZBQOSA-N 1 2 357.454 2.417 20 30 FEEDLO CCN1CCC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)CC1=O ZINC000190216820 548320600 /nfs/dbraw/zinc/32/06/00/548320600.db2.gz ADZBBYIUHLLKMN-SFHVURJKSA-N 1 2 370.497 2.493 20 30 FEEDLO CCN1CCC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)CC1=O ZINC000190216820 548320601 /nfs/dbraw/zinc/32/06/01/548320601.db2.gz ADZBBYIUHLLKMN-SFHVURJKSA-N 1 2 370.497 2.493 20 30 FEEDLO Nc1nc(CN2CC[NH+](CC#Cc3ccccc3)CC2)nc2ccccc12 ZINC000192082135 548357010 /nfs/dbraw/zinc/35/70/10/548357010.db2.gz CVBAFLJFDUGIQJ-UHFFFAOYSA-N 1 2 357.461 2.381 20 30 FEEDLO C=C[C@H]1CCCCN1c1nc(NCCOC)[nH+]c(N2CCCC[C@H]2C=C)n1 ZINC000486484292 561348584 /nfs/dbraw/zinc/34/85/84/561348584.db2.gz FDCHBOKAUYYHBR-CALCHBBNSA-N 1 2 372.517 2.442 20 30 FEEDLO C=C[C@H]1CCCCN1c1nc(N2CCCC[C@H]2C=C)nc(NCCOC)[nH+]1 ZINC000486484292 561348585 /nfs/dbraw/zinc/34/85/85/561348585.db2.gz FDCHBOKAUYYHBR-CALCHBBNSA-N 1 2 372.517 2.442 20 30 FEEDLO COC(=O)[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000245402497 548908341 /nfs/dbraw/zinc/90/83/41/548908341.db2.gz IGNDQGCZYYTEDK-NWDGAFQWSA-N 1 2 361.467 2.320 20 30 FEEDLO COC(=O)[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000245402497 548908343 /nfs/dbraw/zinc/90/83/43/548908343.db2.gz IGNDQGCZYYTEDK-NWDGAFQWSA-N 1 2 361.467 2.320 20 30 FEEDLO C[N@@H+]1CCO[C@@H]([C@@H](NC(=O)c2c[nH]c(C#N)c2)c2ccc(Cl)cc2)C1 ZINC000245930919 549022656 /nfs/dbraw/zinc/02/26/56/549022656.db2.gz VDKLHRHUFHHWSV-SJORKVTESA-N 1 2 358.829 2.341 20 30 FEEDLO C[N@H+]1CCO[C@@H]([C@@H](NC(=O)c2c[nH]c(C#N)c2)c2ccc(Cl)cc2)C1 ZINC000245930919 549022662 /nfs/dbraw/zinc/02/26/62/549022662.db2.gz VDKLHRHUFHHWSV-SJORKVTESA-N 1 2 358.829 2.341 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cc1C(F)(F)F ZINC000246456297 549136981 /nfs/dbraw/zinc/13/69/81/549136981.db2.gz NBUWPVVJWPDRSU-ZDUSSCGKSA-N 1 2 373.400 2.436 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)N2CC[N@H+]3CCCC[C@H]3C2)cc1C(F)(F)F ZINC000246456297 549136985 /nfs/dbraw/zinc/13/69/85/549136985.db2.gz NBUWPVVJWPDRSU-ZDUSSCGKSA-N 1 2 373.400 2.436 20 30 FEEDLO CCN(CC)c1ccc(CNS(=O)(=O)c2ccc(F)c(C#N)c2)c[nH+]1 ZINC000488859661 561398214 /nfs/dbraw/zinc/39/82/14/561398214.db2.gz WGLGHDAMAZZKEK-UHFFFAOYSA-N 1 2 362.430 2.417 20 30 FEEDLO Cc1ncc(S(=O)(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)cc1C#N ZINC000489101041 561403290 /nfs/dbraw/zinc/40/32/90/561403290.db2.gz LJITZFIXFNPJSB-UHFFFAOYSA-N 1 2 371.397 2.065 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)NCc2ccccc2-n2cc[nH+]c2)cc1F ZINC000489113877 561403664 /nfs/dbraw/zinc/40/36/64/561403664.db2.gz HZRJDVKZZDOOQO-UHFFFAOYSA-N 1 2 356.382 2.362 20 30 FEEDLO CCN(CC)c1ccc(CNS(=O)(=O)c2ccc(C#N)c(F)c2)c[nH+]1 ZINC000489118168 561403747 /nfs/dbraw/zinc/40/37/47/561403747.db2.gz SDWXQFBAUNQMPW-UHFFFAOYSA-N 1 2 362.430 2.417 20 30 FEEDLO C[C@H](c1ccccc1)N(C)C(=O)C[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000248132036 549409197 /nfs/dbraw/zinc/40/91/97/549409197.db2.gz QSOHVZHTHMUBMJ-QGZVFWFLSA-N 1 2 363.465 2.295 20 30 FEEDLO C=CCCCS(=O)(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000489817567 561419594 /nfs/dbraw/zinc/41/95/94/561419594.db2.gz GSBVVLGHSOAXIF-KRWDZBQOSA-N 1 2 354.541 2.490 20 30 FEEDLO C=CCCCS(=O)(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000489817567 561419595 /nfs/dbraw/zinc/41/95/95/561419595.db2.gz GSBVVLGHSOAXIF-KRWDZBQOSA-N 1 2 354.541 2.490 20 30 FEEDLO COCC[N@@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)Cc1ccnn1C ZINC000489884462 561421552 /nfs/dbraw/zinc/42/15/52/561421552.db2.gz KDAJUWBKZHTDAS-UHFFFAOYSA-N 1 2 364.453 2.341 20 30 FEEDLO COCC[N@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)Cc1ccnn1C ZINC000489884462 561421553 /nfs/dbraw/zinc/42/15/53/561421553.db2.gz KDAJUWBKZHTDAS-UHFFFAOYSA-N 1 2 364.453 2.341 20 30 FEEDLO C[N@H+](CC(=O)NC1(C#N)CCCCC1)[C@H]1CCN(c2ccccc2F)C1=O ZINC000264856982 550002061 /nfs/dbraw/zinc/00/20/61/550002061.db2.gz NHFBJYBSYLJFIX-KRWDZBQOSA-N 1 2 372.444 2.205 20 30 FEEDLO C[N@@H+](CC(=O)NC1(C#N)CCCCC1)[C@H]1CCN(c2ccccc2F)C1=O ZINC000264856982 550002062 /nfs/dbraw/zinc/00/20/62/550002062.db2.gz NHFBJYBSYLJFIX-KRWDZBQOSA-N 1 2 372.444 2.205 20 30 FEEDLO C#CC[N@@H+](CC)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F ZINC000266949904 550025944 /nfs/dbraw/zinc/02/59/44/550025944.db2.gz TZCFRXOCNOISGU-CQSZACIVSA-N 1 2 353.344 2.248 20 30 FEEDLO C#CC[N@H+](CC)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F ZINC000266949904 550025946 /nfs/dbraw/zinc/02/59/46/550025946.db2.gz TZCFRXOCNOISGU-CQSZACIVSA-N 1 2 353.344 2.248 20 30 FEEDLO COc1cc(C(N)=[NH+]OCc2nc([C@H](C)OC)no2)cc(Cl)c1OC ZINC000266990403 550026736 /nfs/dbraw/zinc/02/67/36/550026736.db2.gz AVADHXWOSZTFNF-QMMMGPOBSA-N 1 2 370.793 2.285 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)CC(=O)Nc1ccc2ccccc2c1 ZINC000268202031 550037801 /nfs/dbraw/zinc/03/78/01/550037801.db2.gz RKUBNSAQKDQBTK-UHFFFAOYSA-N 1 2 366.465 2.326 20 30 FEEDLO COc1cc(OC)c(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)c(OC)c1 ZINC000271051355 550335038 /nfs/dbraw/zinc/33/50/38/550335038.db2.gz WDJIRCSTYJGEIC-UHFFFAOYSA-N 1 2 368.437 2.301 20 30 FEEDLO COC[C@@](C)(C#N)NC(=O)C1CCN(c2ccc3cccc(O)c3[nH+]2)CC1 ZINC000272713718 550466552 /nfs/dbraw/zinc/46/65/52/550466552.db2.gz FMMOTKKIWSFSHE-HXUWFJFHSA-N 1 2 368.437 2.202 20 30 FEEDLO COc1ccccc1-c1noc([C@@H](C)[NH2+]CC(=O)N[C@](C)(C#N)C2CC2)n1 ZINC000273408946 550497689 /nfs/dbraw/zinc/49/76/89/550497689.db2.gz SMTVQUAWTNELHE-CWTRNNRKSA-N 1 2 369.425 2.204 20 30 FEEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@H](C)c1nc(-c2ccccc2OC)no1 ZINC000273442385 550498965 /nfs/dbraw/zinc/49/89/65/550498965.db2.gz ZSFVHGFBWFIICR-UONOGXRCSA-N 1 2 371.441 2.404 20 30 FEEDLO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000494588862 561472179 /nfs/dbraw/zinc/47/21/79/561472179.db2.gz YPFCIIBOMNBLKR-QGZVFWFLSA-N 1 2 363.506 2.272 20 30 FEEDLO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000494588862 561472180 /nfs/dbraw/zinc/47/21/80/561472180.db2.gz YPFCIIBOMNBLKR-QGZVFWFLSA-N 1 2 363.506 2.272 20 30 FEEDLO Cc1[nH+]c2ccccc2n1C[C@@H]1CCCN1S(=O)(=O)CC1(C#N)CC1 ZINC000274233993 550529273 /nfs/dbraw/zinc/52/92/73/550529273.db2.gz RFKGGDYCGDJJBO-HNNXBMFYSA-N 1 2 358.467 2.443 20 30 FEEDLO N#CCCN(C(=O)CN1CC[NH+](Cc2ccco2)CC1)c1ccccc1 ZINC000274325236 550532764 /nfs/dbraw/zinc/53/27/64/550532764.db2.gz YJAGWPDJDATTNA-UHFFFAOYSA-N 1 2 352.438 2.344 20 30 FEEDLO C[NH+](C)C1(C#N)CCN(S(=O)(=O)c2ccc3c(c2)CC(C)(C)O3)CC1 ZINC000274734454 550551070 /nfs/dbraw/zinc/55/10/70/550551070.db2.gz RESCSDXVKHGARX-UHFFFAOYSA-N 1 2 363.483 2.009 20 30 FEEDLO N#CCCCOc1cccnc1NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000274877014 550561947 /nfs/dbraw/zinc/56/19/47/550561947.db2.gz FFCUBYGZNAIZLW-MRXNPFEDSA-N 1 2 373.457 2.093 20 30 FEEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@H](C)c1nncn1C ZINC000275237117 550571288 /nfs/dbraw/zinc/57/12/88/550571288.db2.gz WPHIOQALSVVBMG-CHWSQXEVSA-N 1 2 358.471 2.499 20 30 FEEDLO C#CCOc1cccc(NC(=O)N2CC[C@H]([N@H+](C)Cc3ncccn3)C2)c1 ZINC000275528378 550572920 /nfs/dbraw/zinc/57/29/20/550572920.db2.gz CAOVIOYLYYWTMC-KRWDZBQOSA-N 1 2 365.437 2.227 20 30 FEEDLO C#CCOc1cccc(NC(=O)N2CC[C@H]([N@@H+](C)Cc3ncccn3)C2)c1 ZINC000275528378 550572921 /nfs/dbraw/zinc/57/29/21/550572921.db2.gz CAOVIOYLYYWTMC-KRWDZBQOSA-N 1 2 365.437 2.227 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCN(c2cncc3ccccc32)CC1 ZINC000276265214 550577875 /nfs/dbraw/zinc/57/78/75/550577875.db2.gz BUUMMJKSOACOKV-OAQYLSRUSA-N 1 2 365.481 2.411 20 30 FEEDLO Cc1cc(S(=O)(=O)N2CCc3c([nH+]c(C(C)C)n3C)C2)ccc1C#N ZINC000277512433 550679325 /nfs/dbraw/zinc/67/93/25/550679325.db2.gz BRUHKKSJCBGQJD-UHFFFAOYSA-N 1 2 358.467 2.471 20 30 FEEDLO CCOC1CC(CNc2ccc(C#N)cc2[N+](=O)[O-])([NH+]2CCOCC2)C1 ZINC000277822580 550718385 /nfs/dbraw/zinc/71/83/85/550718385.db2.gz IZEQHINPGHLSNS-UHFFFAOYSA-N 1 2 360.414 2.148 20 30 FEEDLO C[C@@H]1C[N@H+](CC(=O)N(CCC#N)c2ccccc2)CC2(CCOCC2)O1 ZINC000279140302 550858069 /nfs/dbraw/zinc/85/80/69/550858069.db2.gz YAYMVXPOFGXJDQ-QGZVFWFLSA-N 1 2 357.454 2.203 20 30 FEEDLO C[C@@H]1C[N@@H+](CC(=O)N(CCC#N)c2ccccc2)CC2(CCOCC2)O1 ZINC000279140302 550858070 /nfs/dbraw/zinc/85/80/70/550858070.db2.gz YAYMVXPOFGXJDQ-QGZVFWFLSA-N 1 2 357.454 2.203 20 30 FEEDLO C#CCn1ccc(CN(CC)C(=O)c2ccccc2C[NH+]2CCOCC2)n1 ZINC000279227717 550867180 /nfs/dbraw/zinc/86/71/80/550867180.db2.gz YMCDGCVAVFDIHM-UHFFFAOYSA-N 1 2 366.465 2.011 20 30 FEEDLO C#CCn1ccc(C[N@@H+](CC)[C@H](C)C(=O)Nc2cccc(NC(C)=O)c2)n1 ZINC000279832938 550933781 /nfs/dbraw/zinc/93/37/81/550933781.db2.gz ZRPZSEIGXUXMRV-OAHLLOKOSA-N 1 2 367.453 2.324 20 30 FEEDLO C#CCn1ccc(C[N@H+](CC)[C@H](C)C(=O)Nc2cccc(NC(C)=O)c2)n1 ZINC000279832938 550933782 /nfs/dbraw/zinc/93/37/82/550933782.db2.gz ZRPZSEIGXUXMRV-OAHLLOKOSA-N 1 2 367.453 2.324 20 30 FEEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)N(CCC#N)c2ccc(C)c(C)c2)C1=O ZINC000281296283 551082148 /nfs/dbraw/zinc/08/21/48/551082148.db2.gz JOENFBLPDGWBCQ-LJQANCHMSA-N 1 2 368.481 2.269 20 30 FEEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)N(CCC#N)c2ccc(C)c(C)c2)C1=O ZINC000281296283 551082149 /nfs/dbraw/zinc/08/21/49/551082149.db2.gz JOENFBLPDGWBCQ-LJQANCHMSA-N 1 2 368.481 2.269 20 30 FEEDLO CS(=O)(=O)N1CCC([N@@H+](Cc2ccc(C#N)cc2)CC(F)F)CC1 ZINC000282433334 551227888 /nfs/dbraw/zinc/22/78/88/551227888.db2.gz KHIFRXBIMDFVKI-UHFFFAOYSA-N 1 2 357.426 2.049 20 30 FEEDLO CS(=O)(=O)N1CCC([N@H+](Cc2ccc(C#N)cc2)CC(F)F)CC1 ZINC000282433334 551227889 /nfs/dbraw/zinc/22/78/89/551227889.db2.gz KHIFRXBIMDFVKI-UHFFFAOYSA-N 1 2 357.426 2.049 20 30 FEEDLO C#CC[NH+]1CCN(c2nnc(COCc3ccccc3)n2CC(=C)C)CC1 ZINC000282760301 551267518 /nfs/dbraw/zinc/26/75/18/551267518.db2.gz BZLXRDMKVVOPCN-UHFFFAOYSA-N 1 2 365.481 2.326 20 30 FEEDLO C#CCCCC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1c1[nH+]ccn1C ZINC000283892640 551445348 /nfs/dbraw/zinc/44/53/48/551445348.db2.gz APTDNWJIQUSTGD-HNNXBMFYSA-N 1 2 360.458 2.344 20 30 FEEDLO C[C@H](NC(=O)C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)c1ccc(C#N)cc1 ZINC000283928707 551451861 /nfs/dbraw/zinc/45/18/61/551451861.db2.gz JJAQWIBRKIOOIE-RVKKMQEKSA-N 1 2 365.437 2.042 20 30 FEEDLO C=C(C)CN(CC)C(=O)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000284468731 551555196 /nfs/dbraw/zinc/55/51/96/551555196.db2.gz WPNMWXYZLAXPRN-MRXNPFEDSA-N 1 2 358.417 2.189 20 30 FEEDLO Cc1ccc(NC(=O)CO[NH+]=C(N)[C@H]2CCCO2)c(Br)c1 ZINC000284535828 551571695 /nfs/dbraw/zinc/57/16/95/551571695.db2.gz VHHMXFVPGZUJSV-GFCCVEGCSA-N 1 2 356.220 2.164 20 30 FEEDLO CO[C@H]1C[C@@H](C(=O)N2CCCC2)[N@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000284558148 551576688 /nfs/dbraw/zinc/57/66/88/551576688.db2.gz HACZQUHHSHZBIQ-LPHOPBHVSA-N 1 2 352.438 2.023 20 30 FEEDLO CO[C@H]1C[C@@H](C(=O)N2CCCC2)[N@@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000284558148 551576689 /nfs/dbraw/zinc/57/66/89/551576689.db2.gz HACZQUHHSHZBIQ-LPHOPBHVSA-N 1 2 352.438 2.023 20 30 FEEDLO C[C@@H](C(=O)Nc1ncccn1)[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000285475254 551762451 /nfs/dbraw/zinc/76/24/51/551762451.db2.gz LALWRLKCQGVEKJ-ZDUSSCGKSA-N 1 2 369.400 2.358 20 30 FEEDLO N#Cc1ccc(Cl)c(C(=O)NCc2cc[nH+]c(N3CCOCC3)c2)c1 ZINC000285531443 551770777 /nfs/dbraw/zinc/77/07/77/551770777.db2.gz RKOKAWBVOBUICG-UHFFFAOYSA-N 1 2 356.813 2.373 20 30 FEEDLO N#CC1(CS(=O)(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CCCC1 ZINC000498896636 561537008 /nfs/dbraw/zinc/53/70/08/561537008.db2.gz JFGQWUFQLQKUCA-UHFFFAOYSA-N 1 2 358.467 2.435 20 30 FEEDLO COc1ccc(C(=O)CC[N@@H+]2CCN(c3nccnc3C#N)C[C@H]2C)cc1 ZINC000286225259 551863305 /nfs/dbraw/zinc/86/33/05/551863305.db2.gz BPTCZGGWUBJXTG-OAHLLOKOSA-N 1 2 365.437 2.140 20 30 FEEDLO COc1ccc(C(=O)CC[N@H+]2CCN(c3nccnc3C#N)C[C@H]2C)cc1 ZINC000286225259 551863306 /nfs/dbraw/zinc/86/33/06/551863306.db2.gz BPTCZGGWUBJXTG-OAHLLOKOSA-N 1 2 365.437 2.140 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)o1 ZINC000286660778 551911653 /nfs/dbraw/zinc/91/16/53/551911653.db2.gz OYIDYRKJJNCHGM-UHFFFAOYSA-N 1 2 360.439 2.405 20 30 FEEDLO C=CCOc1ccc(CNC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)cc1 ZINC000288465376 552158318 /nfs/dbraw/zinc/15/83/18/552158318.db2.gz PBVAVLMNMABRGO-GOSISDBHSA-N 1 2 359.470 2.258 20 30 FEEDLO COc1ccc([C@H](C)[N@H+](C)CCS(=O)(=O)c2ccc(C#N)cn2)cc1 ZINC000289177489 552278115 /nfs/dbraw/zinc/27/81/15/552278115.db2.gz IATQQVBFFWCDNW-AWEZNQCLSA-N 1 2 359.451 2.429 20 30 FEEDLO COc1ccc([C@H](C)[N@@H+](C)CCS(=O)(=O)c2ccc(C#N)cn2)cc1 ZINC000289177489 552278119 /nfs/dbraw/zinc/27/81/19/552278119.db2.gz IATQQVBFFWCDNW-AWEZNQCLSA-N 1 2 359.451 2.429 20 30 FEEDLO C=CCCCCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000289620096 552351260 /nfs/dbraw/zinc/35/12/60/552351260.db2.gz LPHJIKWOMQJMLI-IAGOWNOFSA-N 1 2 365.424 2.299 20 30 FEEDLO C=CCCCCNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000289620096 552351263 /nfs/dbraw/zinc/35/12/63/552351263.db2.gz LPHJIKWOMQJMLI-IAGOWNOFSA-N 1 2 365.424 2.299 20 30 FEEDLO C[C@H](c1nc(N)nc(Cl)n1)[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000289996665 552411978 /nfs/dbraw/zinc/41/19/78/552411978.db2.gz KULDQUZTBOWKFX-GFCCVEGCSA-N 1 2 357.849 2.252 20 30 FEEDLO C[C@H](c1nc(N)nc(Cl)n1)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000289996665 552411980 /nfs/dbraw/zinc/41/19/80/552411980.db2.gz KULDQUZTBOWKFX-GFCCVEGCSA-N 1 2 357.849 2.252 20 30 FEEDLO C[C@H](c1ccc(NS(=O)(=O)c2cncc(C#N)c2)cc1)[NH+]1CCOCC1 ZINC000291041201 552579539 /nfs/dbraw/zinc/57/95/39/552579539.db2.gz ZZGJIQKQEBCIRZ-CQSZACIVSA-N 1 2 372.450 2.147 20 30 FEEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)C(=O)Nc1ccc(C#N)c(F)c1 ZINC000291275096 552609008 /nfs/dbraw/zinc/60/90/08/552609008.db2.gz LLTWALAWQUJJSZ-UHFFFAOYSA-N 1 2 371.416 2.334 20 30 FEEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC000291638768 552646429 /nfs/dbraw/zinc/64/64/29/552646429.db2.gz DQLXZWQCTJTPJK-CMPLNLGQSA-N 1 2 357.788 2.488 20 30 FEEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC000291638768 552646431 /nfs/dbraw/zinc/64/64/31/552646431.db2.gz DQLXZWQCTJTPJK-CMPLNLGQSA-N 1 2 357.788 2.488 20 30 FEEDLO CN(C)c1ncnc(Cl)c1C[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292090971 552692951 /nfs/dbraw/zinc/69/29/51/552692951.db2.gz FNEFRKQFUUPXRT-CYBMUJFWSA-N 1 2 358.833 2.116 20 30 FEEDLO CN(C)c1ncnc(Cl)c1C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292090971 552692952 /nfs/dbraw/zinc/69/29/52/552692952.db2.gz FNEFRKQFUUPXRT-CYBMUJFWSA-N 1 2 358.833 2.116 20 30 FEEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292140876 552697719 /nfs/dbraw/zinc/69/77/19/552697719.db2.gz JLQKORGNCXBVKR-PBHICJAKSA-N 1 2 361.405 2.305 20 30 FEEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292140876 552697720 /nfs/dbraw/zinc/69/77/20/552697720.db2.gz JLQKORGNCXBVKR-PBHICJAKSA-N 1 2 361.405 2.305 20 30 FEEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](CC(=O)Nc3ccc(F)c(F)c3)C2)nc1 ZINC000292366603 552720076 /nfs/dbraw/zinc/72/00/76/552720076.db2.gz YHPPWIKXGPSMSD-CQSZACIVSA-N 1 2 358.348 2.323 20 30 FEEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](CC(=O)Nc3ccc(F)c(F)c3)C2)nc1 ZINC000292366603 552720078 /nfs/dbraw/zinc/72/00/78/552720078.db2.gz YHPPWIKXGPSMSD-CQSZACIVSA-N 1 2 358.348 2.323 20 30 FEEDLO CN(Cc1cccs1)C(=O)C[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292390766 552722464 /nfs/dbraw/zinc/72/24/64/552722464.db2.gz ZTHAJFFTUGLADM-HNNXBMFYSA-N 1 2 356.451 2.126 20 30 FEEDLO CN(Cc1cccs1)C(=O)C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292390766 552722466 /nfs/dbraw/zinc/72/24/66/552722466.db2.gz ZTHAJFFTUGLADM-HNNXBMFYSA-N 1 2 356.451 2.126 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1ocnc1-c1ccccc1 ZINC000294386269 552902259 /nfs/dbraw/zinc/90/22/59/552902259.db2.gz CESRUGWRCTVAKM-UHFFFAOYSA-N 1 2 354.410 2.030 20 30 FEEDLO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CC(=O)N(C)[C@@H](C)C3)sc2C1 ZINC000502952376 561630864 /nfs/dbraw/zinc/63/08/64/561630864.db2.gz LNNPPOIHOBNBFL-OLZOCXBDSA-N 1 2 374.510 2.236 20 30 FEEDLO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CC(=O)N(C)[C@@H](C)C3)sc2C1 ZINC000502952376 561630865 /nfs/dbraw/zinc/63/08/65/561630865.db2.gz LNNPPOIHOBNBFL-OLZOCXBDSA-N 1 2 374.510 2.236 20 30 FEEDLO C=CCCCCCN(C)C(=O)C(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000297599948 553313941 /nfs/dbraw/zinc/31/39/41/553313941.db2.gz CYQQTMOQYQSUMC-GOSISDBHSA-N 1 2 372.513 2.492 20 30 FEEDLO C=CCCCN(C)C(=O)C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000297683294 553324483 /nfs/dbraw/zinc/32/44/83/553324483.db2.gz GQOIRFNBNJRNLO-MRXNPFEDSA-N 1 2 358.486 2.350 20 30 FEEDLO C#CCOc1ccccc1NC(=O)N[C@@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000298033147 553374563 /nfs/dbraw/zinc/37/45/63/553374563.db2.gz GFJOLBDZWWPFGJ-INIZCTEOSA-N 1 2 356.426 2.313 20 30 FEEDLO Cn1ncc2c1nc[nH+]c2N1CCN(c2cccc(Cl)c2C#N)CC1 ZINC000298131059 553388264 /nfs/dbraw/zinc/38/82/64/553388264.db2.gz ITGHQDGBPBFKAT-UHFFFAOYSA-N 1 2 353.817 2.215 20 30 FEEDLO C=CC[N@H+](Cc1ccccc1)[C@@H](C)C(=O)N(CC)[C@H]1CCS(=O)(=O)C1 ZINC000298291319 553408874 /nfs/dbraw/zinc/40/88/74/553408874.db2.gz HHZLWCISSBCQOV-WMZOPIPTSA-N 1 2 364.511 2.099 20 30 FEEDLO C=CC[N@@H+](Cc1ccccc1)[C@@H](C)C(=O)N(CC)[C@H]1CCS(=O)(=O)C1 ZINC000298291319 553408875 /nfs/dbraw/zinc/40/88/75/553408875.db2.gz HHZLWCISSBCQOV-WMZOPIPTSA-N 1 2 364.511 2.099 20 30 FEEDLO C=CC[N@H+](Cc1ccccc1)[C@H](C)C(=O)N(CC)[C@H]1CCS(=O)(=O)C1 ZINC000298291296 553408992 /nfs/dbraw/zinc/40/89/92/553408992.db2.gz HHZLWCISSBCQOV-AEFFLSMTSA-N 1 2 364.511 2.099 20 30 FEEDLO C=CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)N(CC)[C@H]1CCS(=O)(=O)C1 ZINC000298291296 553408994 /nfs/dbraw/zinc/40/89/94/553408994.db2.gz HHZLWCISSBCQOV-AEFFLSMTSA-N 1 2 364.511 2.099 20 30 FEEDLO C[C@H](O)CNc1cc(N2CCC(Oc3cccc(C#N)c3)CC2)nc[nH+]1 ZINC000298323639 553412309 /nfs/dbraw/zinc/41/23/09/553412309.db2.gz RMDVIAMWKXRCLH-AWEZNQCLSA-N 1 2 353.426 2.189 20 30 FEEDLO C[C@H](O)CNc1cc(N2CCC(Oc3cccc(C#N)c3)CC2)[nH+]cn1 ZINC000298323639 553412310 /nfs/dbraw/zinc/41/23/10/553412310.db2.gz RMDVIAMWKXRCLH-AWEZNQCLSA-N 1 2 353.426 2.189 20 30 FEEDLO COc1cc(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)cc2c1OCO2 ZINC000299041829 553507402 /nfs/dbraw/zinc/50/74/02/553507402.db2.gz NJZLUPBQGHKPIH-UHFFFAOYSA-N 1 2 352.394 2.013 20 30 FEEDLO N#Cc1ccc(N2CC[NH+](Cc3cccc4c3OCCCO4)CC2)nc1 ZINC000299060882 553510065 /nfs/dbraw/zinc/51/00/65/553510065.db2.gz SKZRPIMJZHTJQU-UHFFFAOYSA-N 1 2 350.422 2.437 20 30 FEEDLO N#Cc1cc(S(N)(=O)=O)ccc1NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000301363271 553645731 /nfs/dbraw/zinc/64/57/31/553645731.db2.gz MRFPPHVHOWERCG-UHFFFAOYSA-N 1 2 353.407 2.003 20 30 FEEDLO Cc1ccc(N2CC[NH+]([C@H]3CCN(c4ccccc4)C3=O)CC2)nc1C#N ZINC000302592515 553722495 /nfs/dbraw/zinc/72/24/95/553722495.db2.gz AKWKATFOZYIDOU-IBGZPJMESA-N 1 2 361.449 2.189 20 30 FEEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+](C)Cc2cnc(N(C)C)nc2)c(C#N)c1C ZINC000505488550 561671937 /nfs/dbraw/zinc/67/19/37/561671937.db2.gz NVOQTYRMGFUMEB-GFCCVEGCSA-N 1 2 356.430 2.083 20 30 FEEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+](C)Cc2cnc(N(C)C)nc2)c(C#N)c1C ZINC000505488550 561671938 /nfs/dbraw/zinc/67/19/38/561671938.db2.gz NVOQTYRMGFUMEB-GFCCVEGCSA-N 1 2 356.430 2.083 20 30 FEEDLO CCO[C@@H]1C[C@H](NC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)C12CCCC2 ZINC000328889968 553839908 /nfs/dbraw/zinc/83/99/08/553839908.db2.gz RHCOFGOIOXNWCZ-LUKYLMHMSA-N 1 2 351.491 2.043 20 30 FEEDLO CCO[C@@H]1C[C@H](NC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)C12CCCC2 ZINC000328889968 553839909 /nfs/dbraw/zinc/83/99/09/553839909.db2.gz RHCOFGOIOXNWCZ-LUKYLMHMSA-N 1 2 351.491 2.043 20 30 FEEDLO Cc1cccc(C)c1OC[C@H](C)NC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000328897739 553840599 /nfs/dbraw/zinc/84/05/99/553840599.db2.gz WHIPSAYXPOMWCF-KSZLIROESA-N 1 2 361.486 2.390 20 30 FEEDLO Cc1cccc(C)c1OC[C@H](C)NC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000328897739 553840603 /nfs/dbraw/zinc/84/06/03/553840603.db2.gz WHIPSAYXPOMWCF-KSZLIROESA-N 1 2 361.486 2.390 20 30 FEEDLO CN1CCOC[C@@H]1C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000328932272 553847833 /nfs/dbraw/zinc/84/78/33/553847833.db2.gz DHSUZAWMCMFPTP-QGZVFWFLSA-N 1 2 360.458 2.026 20 30 FEEDLO CN1CCOC[C@H]1C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000328932269 553847842 /nfs/dbraw/zinc/84/78/42/553847842.db2.gz DHSUZAWMCMFPTP-KRWDZBQOSA-N 1 2 360.458 2.026 20 30 FEEDLO Cc1cc(C)c(CCNC(=O)C[N@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C)c(C)c1 ZINC000328956751 553853048 /nfs/dbraw/zinc/85/30/48/553853048.db2.gz JHBROMMKAINROM-MSOLQXFVSA-N 1 2 358.486 2.413 20 30 FEEDLO Cc1cc(C)c(CCNC(=O)C[N@@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C)c(C)c1 ZINC000328956751 553853050 /nfs/dbraw/zinc/85/30/50/553853050.db2.gz JHBROMMKAINROM-MSOLQXFVSA-N 1 2 358.486 2.413 20 30 FEEDLO N#Cc1cc(F)cc(C2(C(=O)N3CC[NH+](Cc4ccncc4)CC3)CC2)c1 ZINC000506028075 561687544 /nfs/dbraw/zinc/68/75/44/561687544.db2.gz XDFJSEWTLKPARX-UHFFFAOYSA-N 1 2 364.424 2.468 20 30 FEEDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)N[C@H]1CCO[C@@H]1c1cccnc1 ZINC000328995530 553861041 /nfs/dbraw/zinc/86/10/41/553861041.db2.gz GLLSMHUAVMCKBB-SOLBZPMBSA-N 1 2 353.426 2.089 20 30 FEEDLO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(c2cncc(-n3cccn3)n2)CC1 ZINC000329005220 553862562 /nfs/dbraw/zinc/86/25/62/553862562.db2.gz MMNWRBFCMWSSCW-OAHLLOKOSA-N 1 2 369.473 2.072 20 30 FEEDLO N#Cc1cccc(F)c1CC(=O)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000506059451 561688870 /nfs/dbraw/zinc/68/88/70/561688870.db2.gz HUPHATJFEQJJAM-QGZVFWFLSA-N 1 2 373.453 2.491 20 30 FEEDLO Cc1ccnc(-c2cccc(NC(=O)N3CC[C@@H]4OCC[N@@H+](C)[C@H]4C3)c2)n1 ZINC000329035591 553868433 /nfs/dbraw/zinc/86/84/33/553868433.db2.gz RBWMPWMMYGUWLU-ROUUACIJSA-N 1 2 367.453 2.402 20 30 FEEDLO Cc1ccnc(-c2cccc(NC(=O)N3CC[C@@H]4OCC[N@H+](C)[C@H]4C3)c2)n1 ZINC000329035591 553868437 /nfs/dbraw/zinc/86/84/37/553868437.db2.gz RBWMPWMMYGUWLU-ROUUACIJSA-N 1 2 367.453 2.402 20 30 FEEDLO Cc1[nH]c(=O)c(Br)cc1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000329074718 553875331 /nfs/dbraw/zinc/87/53/31/553875331.db2.gz ACGVSUNIJGFMOC-VIFPVBQESA-N 1 2 351.204 2.374 20 30 FEEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@]12CCC(=O)N1c1ccccc1S2 ZINC000329113979 553882698 /nfs/dbraw/zinc/88/26/98/553882698.db2.gz SCKNHYBMRWDSRF-ACJLOTCBSA-N 1 2 361.467 2.293 20 30 FEEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@]12CCC(=O)N1c1ccccc1S2 ZINC000329113979 553882699 /nfs/dbraw/zinc/88/26/99/553882699.db2.gz SCKNHYBMRWDSRF-ACJLOTCBSA-N 1 2 361.467 2.293 20 30 FEEDLO C[C@H]1CC[C@H](C)[NH+]1CC(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1O ZINC000329118246 553883643 /nfs/dbraw/zinc/88/36/43/553883643.db2.gz OIBFCWRJAXOGLP-RYUDHWBXSA-N 1 2 367.471 2.294 20 30 FEEDLO O=C(CN1CCCC[C@@H]1C[NH+]1CCOCC1)Nc1ccc2c(c1)OCO2 ZINC000329236857 553908195 /nfs/dbraw/zinc/90/81/95/553908195.db2.gz OQBCDVWDZFFBTF-MRXNPFEDSA-N 1 2 361.442 2.190 20 30 FEEDLO COc1cnc(NC(=O)N2CC[NH+](Cc3cnc(C)s3)CC2)s1 ZINC000329240516 553908891 /nfs/dbraw/zinc/90/88/91/553908891.db2.gz MTEFMQIFEJEHQB-UHFFFAOYSA-N 1 2 353.473 2.280 20 30 FEEDLO C[C@@H]1CCN(C(=O)N[C@@H]2CCC(=O)N(C3CC3)[C@H]2c2c[nH+]cn2C)[C@H]1C ZINC000329244417 553910080 /nfs/dbraw/zinc/91/00/80/553910080.db2.gz ULQXKITXIAEQLU-ZFHGCVPZSA-N 1 2 359.474 2.259 20 30 FEEDLO Cc1nc(CN2CC[NH+](CC(=O)NC34CC5CC(CC(C5)C3)C4)CC2)no1 ZINC000329329536 553926415 /nfs/dbraw/zinc/92/64/15/553926415.db2.gz YKANXVDRUGCBQK-UHFFFAOYSA-N 1 2 373.501 2.421 20 30 FEEDLO CCn1cc[nH+]c1[C@@H](NC(=O)N1CCOCC2(CC2)C1)C1CCOCC1 ZINC000329377151 553935023 /nfs/dbraw/zinc/93/50/23/553935023.db2.gz LWWKFDXCDXBGBM-INIZCTEOSA-N 1 2 362.474 2.397 20 30 FEEDLO C[C@@H]1CN(C(=O)N[C@H](c2[nH+]ccn2C)C2CCOCC2)C[C@H](C2CC2)O1 ZINC000329510107 553959259 /nfs/dbraw/zinc/95/92/59/553959259.db2.gz XJGJDWLGNPQNAG-XYPHTWIQSA-N 1 2 362.474 2.301 20 30 FEEDLO O=C(NCCc1cn2c(n1)SCC2)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000329535925 553963896 /nfs/dbraw/zinc/96/38/96/553963896.db2.gz ZTGDGRNUJRWUTQ-OAHLLOKOSA-N 1 2 350.488 2.131 20 30 FEEDLO O=C(NCCc1cn2c(n1)SCC2)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000329535925 553963897 /nfs/dbraw/zinc/96/38/97/553963897.db2.gz ZTGDGRNUJRWUTQ-OAHLLOKOSA-N 1 2 350.488 2.131 20 30 FEEDLO CN1CCc2ccc(C(=O)NCc3ccc(N4CCOCC4)[nH+]c3)cc21 ZINC000329554277 553966899 /nfs/dbraw/zinc/96/68/99/553966899.db2.gz DLJXWBYFFSAROL-UHFFFAOYSA-N 1 2 352.438 2.415 20 30 FEEDLO COc1ccc(NC(=O)C[N@@H+]2CCOCC3(CCOCC3)C2)c(OC)c1 ZINC000329580113 553971207 /nfs/dbraw/zinc/97/12/07/553971207.db2.gz UQMRFFCXGWQLFK-UHFFFAOYSA-N 1 2 364.442 2.421 20 30 FEEDLO COc1ccc(NC(=O)C[N@H+]2CCOCC3(CCOCC3)C2)c(OC)c1 ZINC000329580113 553971208 /nfs/dbraw/zinc/97/12/08/553971208.db2.gz UQMRFFCXGWQLFK-UHFFFAOYSA-N 1 2 364.442 2.421 20 30 FEEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)[C@H]1CCCCS1(=O)=O)C2 ZINC000329588000 553972474 /nfs/dbraw/zinc/97/24/74/553972474.db2.gz MWOIKCLNIADKOJ-QWHCGFSZSA-N 1 2 353.488 2.419 20 30 FEEDLO Cc1cccc2c1OC[C@@H](NC(=O)N1CCN(c3cc[nH+]c(C)n3)CC1)C2 ZINC000329597924 553974430 /nfs/dbraw/zinc/97/44/30/553974430.db2.gz CVDXDFKOOJOPGY-KRWDZBQOSA-N 1 2 367.453 2.133 20 30 FEEDLO Cc1sccc1C[NH+]1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000506979734 561713156 /nfs/dbraw/zinc/71/31/56/561713156.db2.gz VMEAGRNGWFHGFB-UHFFFAOYSA-N 1 2 361.492 2.435 20 30 FEEDLO C[C@H](NC(=O)C1CCCCC1)C(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000329736616 553997243 /nfs/dbraw/zinc/99/72/43/553997243.db2.gz LNYRGBMMVWNJIR-ZOBUZTSGSA-N 1 2 351.491 2.091 20 30 FEEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1c1ncccn1 ZINC000329743602 553998587 /nfs/dbraw/zinc/99/85/87/553998587.db2.gz QDUGHSIIHNOAOA-XDNAFOTISA-N 1 2 373.501 2.291 20 30 FEEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1c1ncccn1 ZINC000329743602 553998590 /nfs/dbraw/zinc/99/85/90/553998590.db2.gz QDUGHSIIHNOAOA-XDNAFOTISA-N 1 2 373.501 2.291 20 30 FEEDLO C[N@@H+]1CC[C@H](NC(=O)N2C[C@@H]3CC[C@H](O)[C@@H]3C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000329751567 553999583 /nfs/dbraw/zinc/99/95/83/553999583.db2.gz IYVSXQZUOPHYTF-IYYQDKMGSA-N 1 2 365.424 2.327 20 30 FEEDLO C[N@H+]1CC[C@H](NC(=O)N2C[C@@H]3CC[C@H](O)[C@@H]3C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000329751567 553999584 /nfs/dbraw/zinc/99/95/84/553999584.db2.gz IYVSXQZUOPHYTF-IYYQDKMGSA-N 1 2 365.424 2.327 20 30 FEEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])N1CCC[C@H](n3cncn3)C1)C2 ZINC000329778558 554004175 /nfs/dbraw/zinc/00/41/75/554004175.db2.gz QGKDWLDWBRXLOB-GJZGRUSLSA-N 1 2 371.489 2.338 20 30 FEEDLO C[C@H]1CCCCCN1C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000329835990 554015550 /nfs/dbraw/zinc/01/55/50/554015550.db2.gz LOVDCCXLHXJGDX-HNNXBMFYSA-N 1 2 359.474 2.279 20 30 FEEDLO C[C@H](NC(=O)C[N@@H+]1CC(C)(C)[C@@H]1[C@@H]1CCCO1)C(=O)N1CCCCC1 ZINC000329861064 554020712 /nfs/dbraw/zinc/02/07/12/554020712.db2.gz XRSAMYYUGHSYDO-ZOBUZTSGSA-N 1 2 351.491 2.233 20 30 FEEDLO C[C@H](NC(=O)C[N@H+]1CC(C)(C)[C@@H]1[C@@H]1CCCO1)C(=O)N1CCCCC1 ZINC000329861064 554020715 /nfs/dbraw/zinc/02/07/15/554020715.db2.gz XRSAMYYUGHSYDO-ZOBUZTSGSA-N 1 2 351.491 2.233 20 30 FEEDLO O=C(C[N@@H+]1CCO[C@]2(CCOC2)C1)NCC1(c2ccccc2)CCOCC1 ZINC000329878469 554023584 /nfs/dbraw/zinc/02/35/84/554023584.db2.gz KUXDUKKFVPXMBQ-OAQYLSRUSA-N 1 2 374.481 2.183 20 30 FEEDLO O=C(C[N@H+]1CCO[C@]2(CCOC2)C1)NCC1(c2ccccc2)CCOCC1 ZINC000329878469 554023585 /nfs/dbraw/zinc/02/35/85/554023585.db2.gz KUXDUKKFVPXMBQ-OAQYLSRUSA-N 1 2 374.481 2.183 20 30 FEEDLO CCOC1CC(CNC(=O)[C@@H]2CCCCC(=O)N2)([NH+]2CCOCC2)C1 ZINC000329914549 554030330 /nfs/dbraw/zinc/03/03/30/554030330.db2.gz XWJAICUVQJXNPJ-CSLYMUCUSA-N 1 2 353.463 2.112 20 30 FEEDLO Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNC(=O)NC[C@]1(C)CCOC1 ZINC000329921315 554032536 /nfs/dbraw/zinc/03/25/36/554032536.db2.gz SOZBFGGMBPWJDD-MPGHIAIKSA-N 1 2 368.453 2.134 20 30 FEEDLO Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNC(=O)NC[C@]1(C)CCOC1 ZINC000329921315 554032537 /nfs/dbraw/zinc/03/25/37/554032537.db2.gz SOZBFGGMBPWJDD-MPGHIAIKSA-N 1 2 368.453 2.134 20 30 FEEDLO CC1(C)CCC[C@H](NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000329967718 554040824 /nfs/dbraw/zinc/04/08/24/554040824.db2.gz SQOXDKJHKDYZOD-HOTGVXAUSA-N 1 2 351.491 2.092 20 30 FEEDLO Cn1cc[nH+]c1[C@H]1CN(CC(=O)N[C@@H]2CCOc3ccccc32)CCN1C ZINC000329967380 554040983 /nfs/dbraw/zinc/04/09/83/554040983.db2.gz WESLOAFSLMAAGX-IAGOWNOFSA-N 1 2 369.469 2.189 20 30 FEEDLO Cc1oncc1CN1C[C@@H](F)C[C@H]1CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000329976264 554042429 /nfs/dbraw/zinc/04/24/29/554042429.db2.gz FFIOFYWAKDWZAV-KMFMINBZSA-N 1 2 361.421 2.311 20 30 FEEDLO Cc1oncc1CN1C[C@@H](F)C[C@H]1CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000329993184 554045839 /nfs/dbraw/zinc/04/58/39/554045839.db2.gz YETFXTPUOYRIAT-KBMXLJTQSA-N 1 2 361.421 2.311 20 30 FEEDLO CC[C@H](NC(=O)N1CCN(C)[C@@H](c2[nH+]ccn2C)C1)c1c(C)noc1C ZINC000330000029 554047457 /nfs/dbraw/zinc/04/74/57/554047457.db2.gz VUICBEDUEMUNDT-LSDHHAIUSA-N 1 2 360.462 2.379 20 30 FEEDLO Cc1cccn2cc(CNC(=O)[C@H](C)S(=O)(=O)C3CCOCC3)[nH+]c12 ZINC000330043710 554053988 /nfs/dbraw/zinc/05/39/88/554053988.db2.gz ANINJZLONREGHB-ZDUSSCGKSA-N 1 2 365.455 2.082 20 30 FEEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)c1cn([C@H]3CCOC3)nn1)C2 ZINC000330057159 554056665 /nfs/dbraw/zinc/05/66/65/554056665.db2.gz WZNMSPPYZXZEHW-STQMWFEESA-N 1 2 358.446 2.053 20 30 FEEDLO C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000330065192 554057912 /nfs/dbraw/zinc/05/79/12/554057912.db2.gz CUZAUVFEEHQJSR-HBUWYVDXSA-N 1 2 353.463 2.458 20 30 FEEDLO C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000330065192 554057914 /nfs/dbraw/zinc/05/79/14/554057914.db2.gz CUZAUVFEEHQJSR-HBUWYVDXSA-N 1 2 353.463 2.458 20 30 FEEDLO C[N@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)NC2CCC(F)(F)CC2)C1 ZINC000330068539 554058614 /nfs/dbraw/zinc/05/86/14/554058614.db2.gz VLGANVIHWIATNJ-CQSZACIVSA-N 1 2 353.417 2.475 20 30 FEEDLO C[N@@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)NC2CCC(F)(F)CC2)C1 ZINC000330068539 554058616 /nfs/dbraw/zinc/05/86/16/554058616.db2.gz VLGANVIHWIATNJ-CQSZACIVSA-N 1 2 353.417 2.475 20 30 FEEDLO C[C@H]1C[N@H+](CC(=O)Nc2ccc3c(c2)OCCCO3)C[C@@]2(CCOC2)O1 ZINC000330077728 554060826 /nfs/dbraw/zinc/06/08/26/554060826.db2.gz NEVSQMWGTDXWLC-IFXJQAMLSA-N 1 2 362.426 2.316 20 30 FEEDLO C[C@H]1C[N@@H+](CC(=O)Nc2ccc3c(c2)OCCCO3)C[C@@]2(CCOC2)O1 ZINC000330077728 554060829 /nfs/dbraw/zinc/06/08/29/554060829.db2.gz NEVSQMWGTDXWLC-IFXJQAMLSA-N 1 2 362.426 2.316 20 30 FEEDLO C[C@H]1C[N@H+](CC(=O)Nc2ccc3c(c2)OC(F)(F)O3)C[C@]2(CCOC2)O1 ZINC000330084618 554061564 /nfs/dbraw/zinc/06/15/64/554061564.db2.gz CEVGHNRPFZEJQP-ZBEGNZNMSA-N 1 2 370.352 2.476 20 30 FEEDLO C[C@H]1C[N@@H+](CC(=O)Nc2ccc3c(c2)OC(F)(F)O3)C[C@]2(CCOC2)O1 ZINC000330084618 554061565 /nfs/dbraw/zinc/06/15/65/554061565.db2.gz CEVGHNRPFZEJQP-ZBEGNZNMSA-N 1 2 370.352 2.476 20 30 FEEDLO C[C@@H]1C[N@@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@@]2(CCCOC2)O1 ZINC000330133194 554070544 /nfs/dbraw/zinc/07/05/44/554070544.db2.gz QZQIPOWCMTYNAY-LKUPVBHCSA-N 1 2 369.465 2.324 20 30 FEEDLO C[C@@H]1C[N@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@@]2(CCCOC2)O1 ZINC000330133194 554070547 /nfs/dbraw/zinc/07/05/47/554070547.db2.gz QZQIPOWCMTYNAY-LKUPVBHCSA-N 1 2 369.465 2.324 20 30 FEEDLO C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000330138601 554071740 /nfs/dbraw/zinc/07/17/40/554071740.db2.gz VQUZVJYLGBECKW-CVEARBPZSA-N 1 2 363.506 2.756 20 30 FEEDLO C[C@H](C(=O)Nc1ccc2c(c1)OCCCO2)[N@@H+]1CCc2n[nH]c(=O)cc2C1 ZINC000330146151 554073692 /nfs/dbraw/zinc/07/36/92/554073692.db2.gz LJNNDFRQMUQCFD-GFCCVEGCSA-N 1 2 370.409 2.378 20 30 FEEDLO C[C@H](C(=O)Nc1ccc2c(c1)OCCCO2)[N@H+]1CCc2n[nH]c(=O)cc2C1 ZINC000330146151 554073694 /nfs/dbraw/zinc/07/36/94/554073694.db2.gz LJNNDFRQMUQCFD-GFCCVEGCSA-N 1 2 370.409 2.378 20 30 FEEDLO O=C(NCc1cn2c([nH+]1)CCCC2)N1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000330179572 554079739 /nfs/dbraw/zinc/07/97/39/554079739.db2.gz FLEDYHWGGQLHQR-UHFFFAOYSA-N 1 2 369.473 2.056 20 30 FEEDLO O=C(NC1CN(C(=O)c2ccccc2C[NH+]2CCOCC2)C1)C1CCC1 ZINC000330194088 554082638 /nfs/dbraw/zinc/08/26/38/554082638.db2.gz YZNLTCWGGTYWMR-UHFFFAOYSA-N 1 2 357.454 2.100 20 30 FEEDLO COc1cc(-c2nnc(C[NH+]3CCC(C#N)CC3)o2)cc(OC)c1OC ZINC000507711169 561738655 /nfs/dbraw/zinc/73/86/55/561738655.db2.gz UNSFXGXFLARKCD-UHFFFAOYSA-N 1 2 358.398 2.498 20 30 FEEDLO CC(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000330327662 554106082 /nfs/dbraw/zinc/10/60/82/554106082.db2.gz LBLRQWSDEJJGFD-SRABZTEZSA-N 1 2 350.463 2.205 20 30 FEEDLO Cc1nc(C[N@H+]2CCCN(C(=O)N[C@@H]3CCOC[C@H]3C)CC2)cs1 ZINC000330339282 554108008 /nfs/dbraw/zinc/10/80/08/554108008.db2.gz WMQVTQIHJMRPMT-CZUORRHYSA-N 1 2 352.504 2.298 20 30 FEEDLO Cc1nc(C[N@@H+]2CCCN(C(=O)N[C@@H]3CCOC[C@H]3C)CC2)cs1 ZINC000330339282 554108009 /nfs/dbraw/zinc/10/80/09/554108009.db2.gz WMQVTQIHJMRPMT-CZUORRHYSA-N 1 2 352.504 2.298 20 30 FEEDLO C[NH+](C)[C@H](CNC(=O)N[C@@H]1CCC(=O)NC1(C)C)c1c(F)cccc1F ZINC000330424940 554120234 /nfs/dbraw/zinc/12/02/34/554120234.db2.gz FXDFKZLMSDQYEK-ZIAGYGMSSA-N 1 2 368.428 2.128 20 30 FEEDLO C=CCOc1ccc(CNC(=O)N2CC[NH+](Cc3cnn(C)c3)CC2)cc1 ZINC000508419740 561761609 /nfs/dbraw/zinc/76/16/09/561761609.db2.gz CQDOSYHWHXSVLN-UHFFFAOYSA-N 1 2 369.469 2.012 20 30 FEEDLO C=CCOc1cccc(CNc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)c1 ZINC000508516252 561764281 /nfs/dbraw/zinc/76/42/81/561764281.db2.gz KWGIUMOUZLGKGO-UHFFFAOYSA-N 1 2 366.465 2.068 20 30 FEEDLO CCc1ccccc1OCCC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000509493687 561802033 /nfs/dbraw/zinc/80/20/33/561802033.db2.gz QOOSVDREGSQEML-UHFFFAOYSA-N 1 2 359.470 2.092 20 30 FEEDLO C[C@H](C(=O)Nc1cccc(N2CCCC2=O)c1)[NH+]1CCC(F)(C#N)CC1 ZINC000510922404 561851037 /nfs/dbraw/zinc/85/10/37/561851037.db2.gz UMEXWVPPPLSBNM-CQSZACIVSA-N 1 2 358.417 2.468 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C[C@H]3C(=O)Nc4ccccc43)CC2)cc1 ZINC000361959987 554940877 /nfs/dbraw/zinc/94/08/77/554940877.db2.gz UMNKHMWCUSWEMU-LJQANCHMSA-N 1 2 374.444 2.328 20 30 FEEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)[C@@H]1CCN(C)C1=O ZINC000511587421 561873606 /nfs/dbraw/zinc/87/36/06/561873606.db2.gz WERFMNRAFAMQOA-DZGCQCFKSA-N 1 2 360.483 2.039 20 30 FEEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC000511587421 561873607 /nfs/dbraw/zinc/87/36/07/561873607.db2.gz WERFMNRAFAMQOA-DZGCQCFKSA-N 1 2 360.483 2.039 20 30 FEEDLO CCO[C@@H](C)c1noc(CN2CCC[N@H+](C[C@@H](C#N)CCC#N)CC2)n1 ZINC000363116579 555033969 /nfs/dbraw/zinc/03/39/69/555033969.db2.gz MCYKKKWUSPOGHC-JKSUJKDBSA-N 1 2 360.462 2.118 20 30 FEEDLO CCO[C@@H](C)c1noc(CN2CCC[N@@H+](C[C@@H](C#N)CCC#N)CC2)n1 ZINC000363116579 555033971 /nfs/dbraw/zinc/03/39/71/555033971.db2.gz MCYKKKWUSPOGHC-JKSUJKDBSA-N 1 2 360.462 2.118 20 30 FEEDLO O=C(NCC#Cc1cccc(F)c1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000512185625 561895426 /nfs/dbraw/zinc/89/54/26/561895426.db2.gz PMTKLJMZDMDFLR-UHFFFAOYSA-N 1 2 352.413 2.100 20 30 FEEDLO Cn1cc(C#N)c(=NC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)[nH]1 ZINC000615979570 555261060 /nfs/dbraw/zinc/26/10/60/555261060.db2.gz GOXDBRRMINUWAM-GJZGRUSLSA-N 1 2 360.368 2.137 20 30 FEEDLO Cn1cc(C#N)c(=NC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)[nH]1 ZINC000615979570 555261064 /nfs/dbraw/zinc/26/10/64/555261064.db2.gz GOXDBRRMINUWAM-GJZGRUSLSA-N 1 2 360.368 2.137 20 30 FEEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1Cc1ccc(C#N)cc1OC(F)F ZINC000512474332 561906822 /nfs/dbraw/zinc/90/68/22/561906822.db2.gz JHPNWAIRJJQZOC-CZUORRHYSA-N 1 2 351.397 2.455 20 30 FEEDLO N#C[C@@]1(C(=O)N2CC[NH+](Cc3ccccn3)CC2)CCc2ccccc2C1 ZINC000364658073 555365348 /nfs/dbraw/zinc/36/53/48/555365348.db2.gz IGMFDNZOHQYBIL-JOCHJYFZSA-N 1 2 360.461 2.425 20 30 FEEDLO CCO[C@H](C)c1noc(C[N@@H+]2CCCN(c3cnccc3C#N)CC2)n1 ZINC000364909624 555433833 /nfs/dbraw/zinc/43/38/33/555433833.db2.gz NBXHYHLEWBFINM-CQSZACIVSA-N 1 2 356.430 2.146 20 30 FEEDLO CCO[C@H](C)c1noc(C[N@H+]2CCCN(c3cnccc3C#N)CC2)n1 ZINC000364909624 555433836 /nfs/dbraw/zinc/43/38/36/555433836.db2.gz NBXHYHLEWBFINM-CQSZACIVSA-N 1 2 356.430 2.146 20 30 FEEDLO N#Cc1c(C#N)c(N2CC[NH+]([C@@H]3CCOC3)CC2)nc2c1CCCCCC2 ZINC000366430405 555841432 /nfs/dbraw/zinc/84/14/32/555841432.db2.gz MPBDLFHOLKKQNX-MRXNPFEDSA-N 1 2 365.481 2.395 20 30 FEEDLO N#Cc1ccc2[nH+]cc(/C=C3/CCc4c(cnn4-c4ncccn4)C3=O)n2c1 ZINC000366526047 555867810 /nfs/dbraw/zinc/86/78/10/555867810.db2.gz HOKRVSDYOHWZJV-ZSOIEALJSA-N 1 2 367.372 2.394 20 30 FEEDLO C[C@H]1C[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C[C@@]2(CCCOC2)O1 ZINC000366578963 555881650 /nfs/dbraw/zinc/88/16/50/555881650.db2.gz QPPRIIQQLXYFKI-IFXJQAMLSA-N 1 2 354.410 2.378 20 30 FEEDLO C[C@H]1C[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C[C@@]2(CCCOC2)O1 ZINC000366578963 555881652 /nfs/dbraw/zinc/88/16/52/555881652.db2.gz QPPRIIQQLXYFKI-IFXJQAMLSA-N 1 2 354.410 2.378 20 30 FEEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1C[C@H](C)O[C@]2(CCOC2)C1 ZINC000366587765 555884336 /nfs/dbraw/zinc/88/43/36/555884336.db2.gz ZMGACMCPFDMBFH-NNMQDGNJSA-N 1 2 363.502 2.186 20 30 FEEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1C[C@H](C)O[C@]2(CCOC2)C1 ZINC000366587765 555884338 /nfs/dbraw/zinc/88/43/38/555884338.db2.gz ZMGACMCPFDMBFH-NNMQDGNJSA-N 1 2 363.502 2.186 20 30 FEEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CCC[C@@H](Oc2ccc(Cl)cn2)C1)C1CC1 ZINC000366642968 555897378 /nfs/dbraw/zinc/89/73/78/555897378.db2.gz PJFOCYXAEKGISZ-QAPCUYQASA-N 1 2 362.861 2.387 20 30 FEEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CCC[C@@H](Oc2ccc(Cl)cn2)C1)C1CC1 ZINC000366642968 555897380 /nfs/dbraw/zinc/89/73/80/555897380.db2.gz PJFOCYXAEKGISZ-QAPCUYQASA-N 1 2 362.861 2.387 20 30 FEEDLO Cc1cccc2[nH+]cc(CN3CCN(Cc4ccc(C#N)cc4)C(=O)C3)n21 ZINC000367441668 556049477 /nfs/dbraw/zinc/04/94/77/556049477.db2.gz YNMSHJXGPKVDLY-UHFFFAOYSA-N 1 2 359.433 2.359 20 30 FEEDLO C=CCc1cc(C(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)cc(OC)c1OC ZINC000367745716 556128586 /nfs/dbraw/zinc/12/85/86/556128586.db2.gz HVUNYZZOAAYSAQ-QAPCUYQASA-N 1 2 374.481 2.368 20 30 FEEDLO N#Cc1ccc(N2C(=O)C[C@H]([N@@H+]3Cc4ccc(O)cc4C4(CC4)C3)C2=O)cc1 ZINC000514913990 561986189 /nfs/dbraw/zinc/98/61/89/561986189.db2.gz CXJGCRSBFALHRT-IBGZPJMESA-N 1 2 373.412 2.443 20 30 FEEDLO N#Cc1ccc(N2C(=O)C[C@H]([N@H+]3Cc4ccc(O)cc4C4(CC4)C3)C2=O)cc1 ZINC000514913990 561986190 /nfs/dbraw/zinc/98/61/90/561986190.db2.gz CXJGCRSBFALHRT-IBGZPJMESA-N 1 2 373.412 2.443 20 30 FEEDLO Cc1c[nH+]c2cc(C(=O)N3CCN(c4snc(C)c4C#N)CC3)ccn12 ZINC000514951074 561988571 /nfs/dbraw/zinc/98/85/71/561988571.db2.gz RVBJNJFSNWZBRQ-UHFFFAOYSA-N 1 2 366.450 2.242 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCN([C@H]3CCCc4ccccc43)C2=O)C1=O ZINC000368505508 556330128 /nfs/dbraw/zinc/33/01/28/556330128.db2.gz WBXTZGNBGURYGU-SLFFLAALSA-N 1 2 367.493 2.384 20 30 FEEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCN([C@H]3CCCc4ccccc43)C2=O)C1=O ZINC000368505508 556330132 /nfs/dbraw/zinc/33/01/32/556330132.db2.gz WBXTZGNBGURYGU-SLFFLAALSA-N 1 2 367.493 2.384 20 30 FEEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCc2cnc(N)nc2C1 ZINC000623293389 556396957 /nfs/dbraw/zinc/39/69/57/556396957.db2.gz STTPZFPOEPKHQB-CYBMUJFWSA-N 1 2 357.483 2.082 20 30 FEEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCc2cnc(N)nc2C1 ZINC000623293389 556396959 /nfs/dbraw/zinc/39/69/59/556396959.db2.gz STTPZFPOEPKHQB-CYBMUJFWSA-N 1 2 357.483 2.082 20 30 FEEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(NC(=O)C2CCC2)CC1 ZINC000368923304 556449074 /nfs/dbraw/zinc/44/90/74/556449074.db2.gz WGYFMSNKHNXNCX-AWEZNQCLSA-N 1 2 354.454 2.266 20 30 FEEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O ZINC000368975488 556464996 /nfs/dbraw/zinc/46/49/96/556464996.db2.gz RKJBMDTUVSDACE-HTWGDNNSSA-N 1 2 360.845 2.124 20 30 FEEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O ZINC000368975488 556464998 /nfs/dbraw/zinc/46/49/98/556464998.db2.gz RKJBMDTUVSDACE-HTWGDNNSSA-N 1 2 360.845 2.124 20 30 FEEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369015164 556476700 /nfs/dbraw/zinc/47/67/00/556476700.db2.gz AETRCOAZQQEETL-CABCVRRESA-N 1 2 374.445 2.159 20 30 FEEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369015164 556476702 /nfs/dbraw/zinc/47/67/02/556476702.db2.gz AETRCOAZQQEETL-CABCVRRESA-N 1 2 374.445 2.159 20 30 FEEDLO N#Cc1ccc(N2CCC[N@@H+]([C@@H]3CCN(CC(F)(F)F)C3=O)CC2)cc1 ZINC000369188633 556530321 /nfs/dbraw/zinc/53/03/21/556530321.db2.gz QHLHUDYXMIKEIP-MRXNPFEDSA-N 1 2 366.387 2.234 20 30 FEEDLO N#Cc1ccc(N2CCC[N@H+]([C@@H]3CCN(CC(F)(F)F)C3=O)CC2)cc1 ZINC000369188633 556530324 /nfs/dbraw/zinc/53/03/24/556530324.db2.gz QHLHUDYXMIKEIP-MRXNPFEDSA-N 1 2 366.387 2.234 20 30 FEEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@@H](C(=O)N2CCCCC2)C1 ZINC000369384656 556586314 /nfs/dbraw/zinc/58/63/14/556586314.db2.gz FBZWDWGPWOZVNL-OAHLLOKOSA-N 1 2 360.483 2.283 20 30 FEEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@@H](C(=O)N2CCCCC2)C1 ZINC000369384656 556586317 /nfs/dbraw/zinc/58/63/17/556586317.db2.gz FBZWDWGPWOZVNL-OAHLLOKOSA-N 1 2 360.483 2.283 20 30 FEEDLO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)NC2(C#N)CCCCC2)C[C@]2(CCCOC2)O1 ZINC000369549028 556628499 /nfs/dbraw/zinc/62/84/99/556628499.db2.gz HFIKQTKZKJXHAU-HLIPFELVSA-N 1 2 363.502 2.378 20 30 FEEDLO CC[C@@H]1C[N@H+]([C@H](C)C(=O)NC2(C#N)CCCCC2)C[C@]2(CCCOC2)O1 ZINC000369549028 556628501 /nfs/dbraw/zinc/62/85/01/556628501.db2.gz HFIKQTKZKJXHAU-HLIPFELVSA-N 1 2 363.502 2.378 20 30 FEEDLO CC(C)n1nccc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000370738212 556954140 /nfs/dbraw/zinc/95/41/40/556954140.db2.gz JPZFOGONFHKTLA-GOEBONIOSA-N 1 2 368.441 2.211 20 30 FEEDLO CC(C)n1nccc1NC(=O)[C@H](C)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000370738212 556954143 /nfs/dbraw/zinc/95/41/43/556954143.db2.gz JPZFOGONFHKTLA-GOEBONIOSA-N 1 2 368.441 2.211 20 30 FEEDLO N#Cc1ccc(NC(=O)C[NH+]2CCC(CO)(Nc3ccccc3)CC2)cc1 ZINC000371188842 557101703 /nfs/dbraw/zinc/10/17/03/557101703.db2.gz OHPIUBMAJJZWND-UHFFFAOYSA-N 1 2 364.449 2.436 20 30 FEEDLO C[C@H]1C[NH+]=C(N2CCN(C(=O)[C@@]3(C#N)CCc4ccccc4C3)CC2)S1 ZINC000371470091 557190949 /nfs/dbraw/zinc/19/09/49/557190949.db2.gz IRWYQHQSVPXLDV-YWZLYKJASA-N 1 2 368.506 2.321 20 30 FEEDLO Cc1sc(NC(=O)C[N@@H+]2CCCN(c3ncccn3)CC2)c(C#N)c1C ZINC000371866587 557314565 /nfs/dbraw/zinc/31/45/65/557314565.db2.gz MXWWVDAOLHBVJY-UHFFFAOYSA-N 1 2 370.482 2.177 20 30 FEEDLO Cc1sc(NC(=O)C[N@H+]2CCCN(c3ncccn3)CC2)c(C#N)c1C ZINC000371866587 557314566 /nfs/dbraw/zinc/31/45/66/557314566.db2.gz MXWWVDAOLHBVJY-UHFFFAOYSA-N 1 2 370.482 2.177 20 30 FEEDLO CO[C@H](C)c1noc(CN2CCC[N@H+](Cc3cc(C#N)ccc3F)CC2)n1 ZINC000371866358 557314643 /nfs/dbraw/zinc/31/46/43/557314643.db2.gz IRCGBPXOHFDAJV-CQSZACIVSA-N 1 2 373.432 2.496 20 30 FEEDLO CO[C@H](C)c1noc(CN2CCC[N@@H+](Cc3cc(C#N)ccc3F)CC2)n1 ZINC000371866358 557314648 /nfs/dbraw/zinc/31/46/48/557314648.db2.gz IRCGBPXOHFDAJV-CQSZACIVSA-N 1 2 373.432 2.496 20 30 FEEDLO C=C[C@H](CC(=O)N1CC[NH+]([C@H]2CCCCNC2=O)CC1)c1ccccc1 ZINC000372289502 557430987 /nfs/dbraw/zinc/43/09/87/557430987.db2.gz ZNUJXABBDGGJHN-MJGOQNOKSA-N 1 2 355.482 2.159 20 30 FEEDLO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000519799864 562144352 /nfs/dbraw/zinc/14/43/52/562144352.db2.gz OYXIFSZRZQPUMH-UHFFFAOYSA-N 1 2 353.382 2.192 20 30 FEEDLO C=C(C)CN(Cc1ccccc1)C(=O)c1cnn(CC[NH+]2CCOCC2)c1 ZINC000373419095 557689922 /nfs/dbraw/zinc/68/99/22/557689922.db2.gz UGAGEKWTNWNOMN-UHFFFAOYSA-N 1 2 368.481 2.434 20 30 FEEDLO N#Cc1ccc(C[C@H](C#N)C(=O)NCc2cccnc2-n2cc[nH+]c2)cc1 ZINC000373442092 557694359 /nfs/dbraw/zinc/69/43/59/557694359.db2.gz JHRKEDWCAWABGW-GOSISDBHSA-N 1 2 356.389 2.138 20 30 FEEDLO C[C@@H]1C[N@@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@]2(CCO[C@H](C)C2)O1 ZINC000374018171 557808907 /nfs/dbraw/zinc/80/89/07/557808907.db2.gz NEOJINSJPHCZLS-DCTVWTRXSA-N 1 2 369.465 2.322 20 30 FEEDLO C[C@@H]1C[N@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@]2(CCO[C@H](C)C2)O1 ZINC000374018171 557808908 /nfs/dbraw/zinc/80/89/08/557808908.db2.gz NEOJINSJPHCZLS-DCTVWTRXSA-N 1 2 369.465 2.322 20 30 FEEDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2ccn(-c3cccc(C#N)c3)n2)C1 ZINC000374059616 557815814 /nfs/dbraw/zinc/81/58/14/557815814.db2.gz RXPUGHPHQYPMRL-MRXNPFEDSA-N 1 2 360.421 2.497 20 30 FEEDLO Cc1n[nH]c(C)c1[C@H]1COCC[N@@H+]1CCC(=O)Nc1sccc1C#N ZINC000374294032 557859988 /nfs/dbraw/zinc/85/99/88/557859988.db2.gz FACWLLHYVTXJNI-CQSZACIVSA-N 1 2 359.455 2.362 20 30 FEEDLO Cc1n[nH]c(C)c1[C@H]1COCC[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000374294032 557859990 /nfs/dbraw/zinc/85/99/90/557859990.db2.gz FACWLLHYVTXJNI-CQSZACIVSA-N 1 2 359.455 2.362 20 30 FEEDLO CN(C)C(=O)c1cccc(C[N@@H+]2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)c1 ZINC000374354674 557870810 /nfs/dbraw/zinc/87/08/10/557870810.db2.gz VFRFIGLIZGVILG-JTSKRJEESA-N 1 2 374.444 2.234 20 30 FEEDLO CN(C)C(=O)c1cccc(C[N@H+]2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)c1 ZINC000374354674 557870811 /nfs/dbraw/zinc/87/08/11/557870811.db2.gz VFRFIGLIZGVILG-JTSKRJEESA-N 1 2 374.444 2.234 20 30 FEEDLO COC(=O)c1cc(C[N@@H+]2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)oc1C ZINC000374364811 557872423 /nfs/dbraw/zinc/87/24/23/557872423.db2.gz HUAMSQGCASGGGO-RBZFPXEDSA-N 1 2 365.389 2.220 20 30 FEEDLO COC(=O)c1cc(C[N@H+]2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)oc1C ZINC000374364811 557872425 /nfs/dbraw/zinc/87/24/25/557872425.db2.gz HUAMSQGCASGGGO-RBZFPXEDSA-N 1 2 365.389 2.220 20 30 FEEDLO N#Cc1ccc(CSCC(=O)N2CC[NH2+][C@@H](c3ccncc3)C2)cc1 ZINC000374391261 557877442 /nfs/dbraw/zinc/87/74/42/557877442.db2.gz XAZKXYXBNLJAKS-GOSISDBHSA-N 1 2 352.463 2.360 20 30 FEEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2ccco2)C1 ZINC000374688663 557917007 /nfs/dbraw/zinc/91/70/07/557917007.db2.gz ZZNSAANPMWEREM-ZDUSSCGKSA-N 1 2 372.450 2.293 20 30 FEEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@@H](CNC(=O)c2ccco2)C1 ZINC000374688663 557917009 /nfs/dbraw/zinc/91/70/09/557917009.db2.gz ZZNSAANPMWEREM-ZDUSSCGKSA-N 1 2 372.450 2.293 20 30 FEEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CCn2cc(C)[nH+]c2C1 ZINC000374710524 557920018 /nfs/dbraw/zinc/92/00/18/557920018.db2.gz OBKZYCVVDKFWSC-INIZCTEOSA-N 1 2 367.453 2.351 20 30 FEEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000375212658 557992560 /nfs/dbraw/zinc/99/25/60/557992560.db2.gz WVARHTFFHACHQU-MRXNPFEDSA-N 1 2 350.422 2.459 20 30 FEEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@]2(CNC(=O)O2)C1 ZINC000375571423 558050681 /nfs/dbraw/zinc/05/06/81/558050681.db2.gz LYASVKSYQGINSJ-GOSISDBHSA-N 1 2 361.467 2.478 20 30 FEEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@@]2(CNC(=O)O2)C1 ZINC000375571423 558050682 /nfs/dbraw/zinc/05/06/82/558050682.db2.gz LYASVKSYQGINSJ-GOSISDBHSA-N 1 2 361.467 2.478 20 30 FEEDLO CC[C@@H]1C[N@@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@@]2(CCCOC2)O1 ZINC000376016944 558114131 /nfs/dbraw/zinc/11/41/31/558114131.db2.gz ZFUQHBKMWCFRQC-SFHLNBCPSA-N 1 2 369.465 2.324 20 30 FEEDLO CC[C@@H]1C[N@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@@]2(CCCOC2)O1 ZINC000376016944 558114134 /nfs/dbraw/zinc/11/41/34/558114134.db2.gz ZFUQHBKMWCFRQC-SFHLNBCPSA-N 1 2 369.465 2.324 20 30 FEEDLO C=CCCCNC(=O)N1CC[C@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000376415171 558169951 /nfs/dbraw/zinc/16/99/51/558169951.db2.gz RQNIUNHYPSFPLT-INIZCTEOSA-N 1 2 366.506 2.289 20 30 FEEDLO COC(=O)c1ccccc1C[N@@H+]1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000376645285 558202468 /nfs/dbraw/zinc/20/24/68/558202468.db2.gz UJEFMFLOORURFR-QVKFZJNVSA-N 1 2 361.401 2.319 20 30 FEEDLO COC(=O)c1ccccc1C[N@H+]1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000376645285 558202469 /nfs/dbraw/zinc/20/24/69/558202469.db2.gz UJEFMFLOORURFR-QVKFZJNVSA-N 1 2 361.401 2.319 20 30 FEEDLO C[C@@H]([NH2+]CC(=O)NCc1cccc(C#N)c1)c1cn(-c2ccccc2)nn1 ZINC000376835409 558227755 /nfs/dbraw/zinc/22/77/55/558227755.db2.gz CMGHQGKPNREVIH-OAHLLOKOSA-N 1 2 360.421 2.106 20 30 FEEDLO Cn1cc[nH+]c1[C@@H]1CCN(S(=O)(=O)c2ccc(C#N)cc2Cl)C1 ZINC000376841263 558228648 /nfs/dbraw/zinc/22/86/48/558228648.db2.gz GZTIOAQNYRIGAF-GFCCVEGCSA-N 1 2 350.831 2.123 20 30 FEEDLO C[C@@H](NC(=O)C[N@@H+]1CCCN(c2ncccc2C#N)CC1)c1cccs1 ZINC000377453417 558343700 /nfs/dbraw/zinc/34/37/00/558343700.db2.gz HEARSLTVUPNKII-OAHLLOKOSA-N 1 2 369.494 2.404 20 30 FEEDLO C[C@@H](NC(=O)C[N@H+]1CCCN(c2ncccc2C#N)CC1)c1cccs1 ZINC000377453417 558343701 /nfs/dbraw/zinc/34/37/01/558343701.db2.gz HEARSLTVUPNKII-OAHLLOKOSA-N 1 2 369.494 2.404 20 30 FEEDLO C[N@@H+]1CCN(C(=O)N=c2ccn(CCC#N)[nH]2)C[C@H]1c1ccccc1Cl ZINC000377601054 558375175 /nfs/dbraw/zinc/37/51/75/558375175.db2.gz KBFSEWQCZXIDPB-INIZCTEOSA-N 1 2 372.860 2.971 20 30 FEEDLO C[N@H+]1CCN(C(=O)N=c2ccn(CCC#N)[nH]2)C[C@H]1c1ccccc1Cl ZINC000377601054 558375176 /nfs/dbraw/zinc/37/51/76/558375176.db2.gz KBFSEWQCZXIDPB-INIZCTEOSA-N 1 2 372.860 2.971 20 30 FEEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH2+]Cc1nnc2n1C[C@@H](C(F)(F)F)CC2 ZINC000377823174 558426978 /nfs/dbraw/zinc/42/69/78/558426978.db2.gz HFPRQORNEHFLPM-STQMWFEESA-N 1 2 371.407 2.082 20 30 FEEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+]Cc1nnc2n1C[C@@H](C(F)(F)F)CC2 ZINC000377824435 558427388 /nfs/dbraw/zinc/42/73/88/558427388.db2.gz RWRNUEXJHAZKPB-STQMWFEESA-N 1 2 373.423 2.306 20 30 FEEDLO COC(=O)C[C@H]1COCC[N@@H+]1Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000377834897 558431479 /nfs/dbraw/zinc/43/14/79/558431479.db2.gz PDMWUTGXNFSOQM-SFHVURJKSA-N 1 2 368.437 2.228 20 30 FEEDLO COC(=O)C[C@H]1COCC[N@H+]1Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000377834897 558431480 /nfs/dbraw/zinc/43/14/80/558431480.db2.gz PDMWUTGXNFSOQM-SFHVURJKSA-N 1 2 368.437 2.228 20 30 FEEDLO C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000378594116 558590672 /nfs/dbraw/zinc/59/06/72/558590672.db2.gz MRSFURQYXTXQIV-ZDUSSCGKSA-N 1 2 367.409 2.045 20 30 FEEDLO C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000378594116 558590674 /nfs/dbraw/zinc/59/06/74/558590674.db2.gz MRSFURQYXTXQIV-ZDUSSCGKSA-N 1 2 367.409 2.045 20 30 FEEDLO N#Cc1cccc(-n2ccc(C(=O)NCc3[nH+]ccn3CC(F)(F)F)n2)c1 ZINC000409643269 558709963 /nfs/dbraw/zinc/70/99/63/558709963.db2.gz APSZKNVGOBOOHY-UHFFFAOYSA-N 1 2 374.326 2.433 20 30 FEEDLO C=CCN1CC[C@@H]([NH+]2CCN(CCOc3ccccc3Cl)CC2)C1=O ZINC000410307083 558750729 /nfs/dbraw/zinc/75/07/29/558750729.db2.gz PJYWVOVMXOIMAW-QGZVFWFLSA-N 1 2 363.889 2.123 20 30 FEEDLO C=CCN1CC[C@@H](N2CC[NH+](CCOc3ccccc3Cl)CC2)C1=O ZINC000410307083 558750731 /nfs/dbraw/zinc/75/07/31/558750731.db2.gz PJYWVOVMXOIMAW-QGZVFWFLSA-N 1 2 363.889 2.123 20 30 FEEDLO C=CCN(CC1CCCCC1)C(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000410560234 558778232 /nfs/dbraw/zinc/77/82/32/558778232.db2.gz FVTAFAABMKNQGP-UHFFFAOYSA-N 1 2 370.497 2.325 20 30 FEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CC[C@]2(C1)CC(=O)c1ccccc1O2 ZINC000411990408 558999843 /nfs/dbraw/zinc/99/98/43/558999843.db2.gz SPDIAZXQBPWHDA-MGPUTAFESA-N 1 2 355.438 2.104 20 30 FEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CC[C@]2(C1)CC(=O)c1ccccc1O2 ZINC000411990408 558999844 /nfs/dbraw/zinc/99/98/44/558999844.db2.gz SPDIAZXQBPWHDA-MGPUTAFESA-N 1 2 355.438 2.104 20 30 FEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](N2CCCC2=O)CC1 ZINC000412052640 559007082 /nfs/dbraw/zinc/00/70/82/559007082.db2.gz CXJSHGIIILJAOP-HKUYNNGSSA-N 1 2 355.438 2.249 20 30 FEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](N2CCCC2=O)CC1 ZINC000412052640 559007084 /nfs/dbraw/zinc/00/70/84/559007084.db2.gz CXJSHGIIILJAOP-HKUYNNGSSA-N 1 2 355.438 2.249 20 30 FEEDLO C[C@@H](O)[C@H]1CCN(c2cc(NCCOc3ccc(C#N)cc3)[nH+]cn2)C1 ZINC000413174750 559085445 /nfs/dbraw/zinc/08/54/45/559085445.db2.gz QEXQFXAXLBDJPV-ZBFHGGJFSA-N 1 2 353.426 2.046 20 30 FEEDLO C[C@@H](O)[C@H]1CCN(c2cc(NCCOc3ccc(C#N)cc3)nc[nH+]2)C1 ZINC000413174750 559085447 /nfs/dbraw/zinc/08/54/47/559085447.db2.gz QEXQFXAXLBDJPV-ZBFHGGJFSA-N 1 2 353.426 2.046 20 30 FEEDLO CC(C)c1ccc([C@]2(C)CC(=O)N(C[C@H](O)C[N@H+](C)CCC#N)C2=O)cc1 ZINC000414120845 559150211 /nfs/dbraw/zinc/15/02/11/559150211.db2.gz DVNAZHBKWFRZGU-NQIIRXRSSA-N 1 2 371.481 2.033 20 30 FEEDLO CC(C)c1ccc([C@]2(C)CC(=O)N(C[C@H](O)C[N@@H+](C)CCC#N)C2=O)cc1 ZINC000414120845 559150212 /nfs/dbraw/zinc/15/02/12/559150212.db2.gz DVNAZHBKWFRZGU-NQIIRXRSSA-N 1 2 371.481 2.033 20 30 FEEDLO COC(=O)c1cc(Cl)c(OC[C@H](O)C[N@H+](C)CCC#N)c(Cl)c1 ZINC000414139562 559150649 /nfs/dbraw/zinc/15/06/49/559150649.db2.gz KWCDNIWSIWRDLP-LLVKDONJSA-N 1 2 361.225 2.365 20 30 FEEDLO COC(=O)c1cc(Cl)c(OC[C@H](O)C[N@@H+](C)CCC#N)c(Cl)c1 ZINC000414139562 559150650 /nfs/dbraw/zinc/15/06/50/559150650.db2.gz KWCDNIWSIWRDLP-LLVKDONJSA-N 1 2 361.225 2.365 20 30 FEEDLO CCCc1ccc([C@H](C)[N@H+](CC(N)=O)CC(=O)NC2(C#N)CCC2)cc1 ZINC000527128626 562277292 /nfs/dbraw/zinc/27/72/92/562277292.db2.gz IMDBZNOGBJQDLE-HNNXBMFYSA-N 1 2 356.470 2.050 20 30 FEEDLO CCCc1ccc([C@H](C)[N@@H+](CC(N)=O)CC(=O)NC2(C#N)CCC2)cc1 ZINC000527128626 562277293 /nfs/dbraw/zinc/27/72/93/562277293.db2.gz IMDBZNOGBJQDLE-HNNXBMFYSA-N 1 2 356.470 2.050 20 30 FEEDLO C[C@@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)c1cc(Br)ccc1C#N ZINC000416446700 559313379 /nfs/dbraw/zinc/31/33/79/559313379.db2.gz AGFBLGDTXVHVDC-WDEREUQCSA-N 1 2 372.288 2.034 20 30 FEEDLO C[C@@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)c1cc(Br)ccc1C#N ZINC000416446700 559313380 /nfs/dbraw/zinc/31/33/80/559313380.db2.gz AGFBLGDTXVHVDC-WDEREUQCSA-N 1 2 372.288 2.034 20 30 FEEDLO C[C@H]([NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)C(=O)N1c2ccccc2C[C@H]1C ZINC000419313950 559436609 /nfs/dbraw/zinc/43/66/09/559436609.db2.gz TVBSLWILFBMORC-TYILLQQXSA-N 1 2 362.433 2.041 20 30 FEEDLO C=CCC[C@H]1NC(=O)N([C@@H](C[NH+]2CCOCC2)c2ccc(C)cc2)C1=O ZINC000419929639 559465054 /nfs/dbraw/zinc/46/50/54/559465054.db2.gz WARWCLAPNJDSJD-MSOLQXFVSA-N 1 2 357.454 2.255 20 30 FEEDLO CCOC(=O)c1c(NC(=O)NCc2c[nH+]ccc2OC)c(C#N)cn1CC ZINC000421189145 559530034 /nfs/dbraw/zinc/53/00/34/559530034.db2.gz ZSELHRVQYNQGAG-UHFFFAOYSA-N 1 2 371.397 2.282 20 30 FEEDLO C=C(C)C(C)(C)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000424657566 559672656 /nfs/dbraw/zinc/67/26/56/559672656.db2.gz NRIVBMWBJWPQTR-INIZCTEOSA-N 1 2 373.501 2.001 20 30 FEEDLO C=C(C)C(C)(C)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000424657566 559672657 /nfs/dbraw/zinc/67/26/57/559672657.db2.gz NRIVBMWBJWPQTR-INIZCTEOSA-N 1 2 373.501 2.001 20 30 FEEDLO Cc1cc(NCc2ccccc2S(=O)(=O)N2CCCCC2)c(C#N)c[nH+]1 ZINC000425213076 559691604 /nfs/dbraw/zinc/69/16/04/559691604.db2.gz XRHKEKCHTDSYIL-UHFFFAOYSA-N 1 2 370.478 2.470 20 30 FEEDLO Cc1cc(NCc2cccc(C(=O)NC[C@H]3CCCO3)c2)c(C#N)c[nH+]1 ZINC000425217560 559691906 /nfs/dbraw/zinc/69/19/06/559691906.db2.gz VBKVGXLMSGYVOL-GOSISDBHSA-N 1 2 350.422 2.205 20 30 FEEDLO Cc1cc(N2CCN(c3nnc(C(F)(F)F)s3)CC2)c(C#N)c[nH+]1 ZINC000425240160 559692946 /nfs/dbraw/zinc/69/29/46/559692946.db2.gz LQBIYMGPHJEGJY-UHFFFAOYSA-N 1 2 354.361 2.459 20 30 FEEDLO CCN1CCN(CC(=O)Nc2cc(Cl)ccc2C#N)C[C@@H]1c1[nH]cc[nH+]1 ZINC000527318103 562285230 /nfs/dbraw/zinc/28/52/30/562285230.db2.gz PWBBCDFBWDKPDN-MRXNPFEDSA-N 1 2 372.860 2.252 20 30 FEEDLO C=CCn1cc(CNC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)nn1 ZINC000425562385 559709928 /nfs/dbraw/zinc/70/99/28/559709928.db2.gz FYOSVYHEYMUZRJ-UHFFFAOYSA-N 1 2 357.462 2.063 20 30 FEEDLO CC[C@H]1C[N@H+](CCNC(=O)c2cc(C3CC3)nc(SC)c2C#N)CCO1 ZINC000428051292 559768594 /nfs/dbraw/zinc/76/85/94/559768594.db2.gz CJRWIAJNXDWNRT-AWEZNQCLSA-N 1 2 374.510 2.393 20 30 FEEDLO CC[C@H]1C[N@@H+](CCNC(=O)c2cc(C3CC3)nc(SC)c2C#N)CCO1 ZINC000428051292 559768595 /nfs/dbraw/zinc/76/85/95/559768595.db2.gz CJRWIAJNXDWNRT-AWEZNQCLSA-N 1 2 374.510 2.393 20 30 FEEDLO C[C@@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN(Cc3cccc(F)c3C#N)CC2)C1 ZINC000428480124 559776399 /nfs/dbraw/zinc/77/63/99/559776399.db2.gz BKPAWJYCZACCGR-CALCHBBNSA-N 1 2 372.488 2.319 20 30 FEEDLO CC1(C)C[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)C[C@@H](C(F)(F)F)O1 ZINC000428932846 559786245 /nfs/dbraw/zinc/78/62/45/559786245.db2.gz KFJKNOURUNNAMA-HIFRSBDPSA-N 1 2 358.360 2.340 20 30 FEEDLO CC1(C)C[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)C[C@@H](C(F)(F)F)O1 ZINC000428932846 559786246 /nfs/dbraw/zinc/78/62/46/559786246.db2.gz KFJKNOURUNNAMA-HIFRSBDPSA-N 1 2 358.360 2.340 20 30 FEEDLO C[C@@H]1CN(C(=O)C(C)(C)C)C[C@@H](C)[NH+]1CC(=O)NCc1cccc(C#N)c1 ZINC000429397232 559797808 /nfs/dbraw/zinc/79/78/08/559797808.db2.gz FKYLEXMEFAZVFL-HZPDHXFCSA-N 1 2 370.497 2.142 20 30 FEEDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)C(=O)Nc1ccc(C#N)cc1Cl ZINC000429856326 559807134 /nfs/dbraw/zinc/80/71/34/559807134.db2.gz XURXFYOTMQORSO-UHFFFAOYSA-N 1 2 371.828 2.342 20 30 FEEDLO COc1cc(C[NH+]2CCN(C(=O)NCC3(CC#N)CC3)CC2)cc(OC)c1 ZINC000431185667 559835651 /nfs/dbraw/zinc/83/56/51/559835651.db2.gz AAAYEEHBJUWLAK-UHFFFAOYSA-N 1 2 372.469 2.225 20 30 FEEDLO COc1cc[nH+]cc1CNC(=O)N1CCN(c2ccc(C#N)cc2F)CC1 ZINC000432128774 559852600 /nfs/dbraw/zinc/85/26/00/559852600.db2.gz ILARRQHKDKKAMZ-UHFFFAOYSA-N 1 2 369.400 2.133 20 30 FEEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)NC1CCC(Oc2ncccc2C#N)CC1 ZINC000527352800 562286278 /nfs/dbraw/zinc/28/62/78/562286278.db2.gz UOQADEHXZDPNEX-ODIFPOPNSA-N 1 2 368.441 2.228 20 30 FEEDLO COC(=O)c1cc([C@@H](C)[NH+]2CCN(c3c(C#N)c(C)nn3C)CC2)oc1C ZINC000432803558 559865195 /nfs/dbraw/zinc/86/51/95/559865195.db2.gz HFNMZJABCBLHAV-CYBMUJFWSA-N 1 2 371.441 2.171 20 30 FEEDLO C[N@H+](CCN1CCOC(C)(C)C1)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000434709994 559907042 /nfs/dbraw/zinc/90/70/42/559907042.db2.gz YTDZHWXNRUCROE-UHFFFAOYSA-N 1 2 355.442 2.151 20 30 FEEDLO C[N@@H+](CCN1CCOC(C)(C)C1)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000434709994 559907043 /nfs/dbraw/zinc/90/70/43/559907043.db2.gz YTDZHWXNRUCROE-UHFFFAOYSA-N 1 2 355.442 2.151 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)NCCc2[nH+]ccn2Cc2ccccc2)s1 ZINC000435427018 559922614 /nfs/dbraw/zinc/92/26/14/559922614.db2.gz KQJKBJRXLGZKQM-UHFFFAOYSA-N 1 2 372.475 2.386 20 30 FEEDLO C=CCN(CC=C)C(=O)C[NH2+][C@H](c1ccc(C)cc1)[C@@H](C)S(C)(=O)=O ZINC000435902884 559932097 /nfs/dbraw/zinc/93/20/97/559932097.db2.gz QPHJGQLPDFOOCY-APWZRJJASA-N 1 2 364.511 2.259 20 30 FEEDLO N#Cc1ccc(CN2CCC[C@@H]2C[NH+]2CCOCC2)c(OC(F)F)c1 ZINC000437880722 559970956 /nfs/dbraw/zinc/97/09/56/559970956.db2.gz GYIKFHLDJHGRPH-MRXNPFEDSA-N 1 2 351.397 2.456 20 30 FEEDLO CCN(C[C@@H](C)C#N)C(=O)CNc1ccc([NH+]2CCCCC2)cc1C(N)=O ZINC000447363702 560160972 /nfs/dbraw/zinc/16/09/72/560160972.db2.gz AGJFRSMZDLIWRX-HNNXBMFYSA-N 1 2 371.485 2.196 20 30 FEEDLO CC(C)(CNC(=O)c1cccc(C#N)c1Br)[NH+]1CCOCC1 ZINC000448586293 560191509 /nfs/dbraw/zinc/19/15/09/560191509.db2.gz WMDZMAOVFHCPDF-UHFFFAOYSA-N 1 2 366.259 2.161 20 30 FEEDLO Cc1[nH]c(C#N)cc1C(=O)NC[C@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000448693286 560194537 /nfs/dbraw/zinc/19/45/37/560194537.db2.gz AYCXXZOTNSGTIK-LJQANCHMSA-N 1 2 352.438 2.307 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1ccsc1Br ZINC000449816980 560241009 /nfs/dbraw/zinc/24/10/09/560241009.db2.gz CBLJOIKWVMRLKY-UHFFFAOYSA-N 1 2 372.288 2.199 20 30 FEEDLO Cc1[nH]c(C#N)cc1C(=O)N1CC[NH+](Cc2cnn(-c3ccccc3)c2)CC1 ZINC000449872175 560243562 /nfs/dbraw/zinc/24/35/62/560243562.db2.gz VWXNVXYIXMALEM-UHFFFAOYSA-N 1 2 374.448 2.339 20 30 FEEDLO CN(C[C@@H](c1cccs1)[NH+]1CCOCC1)C(=O)c1ccc(C#N)n1C ZINC000450046578 560249111 /nfs/dbraw/zinc/24/91/11/560249111.db2.gz SRZUZQRHTBYHHC-INIZCTEOSA-N 1 2 358.467 2.104 20 30 FEEDLO CCN(CC)C(=O)C[NH+]1CCN(c2nc3ccccc3c(C)c2C#N)CC1 ZINC000450233036 560254952 /nfs/dbraw/zinc/25/49/52/560254952.db2.gz YSKSZBCLCDTVKO-UHFFFAOYSA-N 1 2 365.481 2.405 20 30 FEEDLO N#Cc1cccc(N2CCN(Cc3cn4ccccc4[nH+]3)CC2)c1[N+](=O)[O-] ZINC000450232212 560254985 /nfs/dbraw/zinc/25/49/85/560254985.db2.gz VTXJJOJIXMPZMR-UHFFFAOYSA-N 1 2 362.393 2.436 20 30 FEEDLO Cn1cc[nH+]c1[C@@H](NS(=O)(=O)CC1(CC#N)CC1)c1ccccc1F ZINC000451005311 560282045 /nfs/dbraw/zinc/28/20/45/560282045.db2.gz RTYINKPLGOYERM-HNNXBMFYSA-N 1 2 362.430 2.262 20 30 FEEDLO CCOC(=O)C1([S@](C)=O)CC[NH+](Cc2ccc(C#N)cc2Cl)CC1 ZINC000451207833 560293042 /nfs/dbraw/zinc/29/30/42/560293042.db2.gz MDZAKOMABAUHKB-DEOSSOPVSA-N 1 2 368.886 2.488 20 30 FEEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)c1cccc(C#N)c1Br ZINC000451288585 560298410 /nfs/dbraw/zinc/29/84/10/560298410.db2.gz UGKCITMVVNPCLI-GFCCVEGCSA-N 1 2 366.259 2.113 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1nnc(C(=O)NCc2ccc(F)cc2)s1 ZINC000451605666 560317040 /nfs/dbraw/zinc/31/70/40/560317040.db2.gz DZBQQYMEHGFZSA-KGLIPLIRSA-N 1 2 362.430 2.040 20 30 FEEDLO C=CCn1c(N2CC[NH+](Cc3ccco3)CC2)nnc1[C@]1(C)CCCO1 ZINC000453439061 560386735 /nfs/dbraw/zinc/38/67/35/560386735.db2.gz KXYKDHRUZVBTLG-IBGZPJMESA-N 1 2 357.458 2.405 20 30 FEEDLO CN(CCCn1cc[nH+]c1)C(=O)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000453680984 560396152 /nfs/dbraw/zinc/39/61/52/560396152.db2.gz WJQDCUPHJFVWCZ-UHFFFAOYSA-N 1 2 359.817 2.090 20 30 FEEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)C(=O)Nc2ccc(CC#N)cc2Cl)C1 ZINC000453697307 560397557 /nfs/dbraw/zinc/39/75/57/560397557.db2.gz QDEYDBOEKBEASD-ZDUSSCGKSA-N 1 2 371.828 2.094 20 30 FEEDLO N#Cc1ncc(NC(=O)NCc2ccc[nH+]c2N2CCOCC2)cc1Cl ZINC000455760118 560494038 /nfs/dbraw/zinc/49/40/38/560494038.db2.gz STEJYPUGKJPVTH-UHFFFAOYSA-N 1 2 372.816 2.160 20 30 FEEDLO C=CCN(C)C(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000455953957 560501831 /nfs/dbraw/zinc/50/18/31/560501831.db2.gz LKMAMSMMFIPESN-UHFFFAOYSA-N 1 2 355.236 2.330 20 30 FEEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)C(C)(C)Cc1ccc(C#N)cc1 ZINC000456054489 560505507 /nfs/dbraw/zinc/50/55/07/560505507.db2.gz KXZVDGOUENGWEG-VQIMIIECSA-N 1 2 355.482 2.449 20 30 FEEDLO C=CCN1C(=O)c2ccc(C(=O)N[C@H]3C[C@@H](C)n4cc[nH+]c43)cc2C1=O ZINC000456358135 560517197 /nfs/dbraw/zinc/51/71/97/560517197.db2.gz CEULFHBJFCRAIM-ABAIWWIYSA-N 1 2 350.378 2.101 20 30 FEEDLO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N[C@H]3C[C@@H](C)n4cc[nH+]c43)C2)n1 ZINC000456441657 560520686 /nfs/dbraw/zinc/52/06/86/560520686.db2.gz ZIBFEXDDPLZKPB-PVAVHDDUSA-N 1 2 364.453 2.497 20 30 FEEDLO CC(C)(C)OC(=O)C[NH2+][C@@]1(C)CCN(C(=O)NCC(C)(C)CC#N)C1 ZINC000459242652 560675603 /nfs/dbraw/zinc/67/56/03/560675603.db2.gz SANDLNBJGHRCOE-SFHVURJKSA-N 1 2 352.479 2.032 20 30 FEEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@H]1CCC[C@H]1C#N ZINC000459457849 560687716 /nfs/dbraw/zinc/68/77/16/560687716.db2.gz DUZSJGWESYRULU-RDJZCZTQSA-N 1 2 357.458 2.234 20 30 FEEDLO CC#CCNC(=O)NC[C@@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCOCC1 ZINC000460159651 560736695 /nfs/dbraw/zinc/73/66/95/560736695.db2.gz JBZIWUIQGASLNR-INIZCTEOSA-N 1 2 369.387 2.401 20 30 FEEDLO C=CCNC(=O)C[NH+]1CCN(c2c(C#N)cnc3c(C)cc(C)cc32)CC1 ZINC000461465310 560772823 /nfs/dbraw/zinc/77/28/23/560772823.db2.gz OVIRDSVROXSUIJ-UHFFFAOYSA-N 1 2 363.465 2.148 20 30 FEEDLO C[C@@H](C(=O)NCc1cc[nH+]c(N2CCOCC2)c1)c1cccc(C#N)c1 ZINC000461905478 560787479 /nfs/dbraw/zinc/78/74/79/560787479.db2.gz AHESCDJGIOETRR-OAHLLOKOSA-N 1 2 350.422 2.210 20 30 FEEDLO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000464514214 560844118 /nfs/dbraw/zinc/84/41/18/560844118.db2.gz GCYPIQUYCGJTGZ-APWZRJJASA-N 1 2 359.470 2.141 20 30 FEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1C[C@@H](C2CCCCC2)C[C@@H]1C(=O)OC ZINC000464819016 560852505 /nfs/dbraw/zinc/85/25/05/560852505.db2.gz AHAMQOKGMDBAHQ-BPQIPLTHSA-N 1 2 363.502 2.438 20 30 FEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1C[C@@H](C2CCCCC2)C[C@@H]1C(=O)OC ZINC000464819016 560852506 /nfs/dbraw/zinc/85/25/06/560852506.db2.gz AHAMQOKGMDBAHQ-BPQIPLTHSA-N 1 2 363.502 2.438 20 30 FEEDLO COC(=O)C1CCN(C(=O)C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)CC1 ZINC000464819658 560852519 /nfs/dbraw/zinc/85/25/19/560852519.db2.gz TXKNKZORJQUDAA-RTBURBONSA-N 1 2 369.465 2.170 20 30 FEEDLO COC(=O)C1CCN(C(=O)C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)CC1 ZINC000464819658 560852520 /nfs/dbraw/zinc/85/25/20/560852520.db2.gz TXKNKZORJQUDAA-RTBURBONSA-N 1 2 369.465 2.170 20 30 FEEDLO COC(=O)[C@@H]1C[C@@H](C2CCCCC2)C[N@@H+]1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000464819166 560852548 /nfs/dbraw/zinc/85/25/48/560852548.db2.gz RJUGEYXBFDSCNZ-SYNHAJSKSA-N 1 2 361.486 2.239 20 30 FEEDLO COC(=O)[C@@H]1C[C@@H](C2CCCCC2)C[N@H+]1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000464819166 560852549 /nfs/dbraw/zinc/85/25/49/560852549.db2.gz RJUGEYXBFDSCNZ-SYNHAJSKSA-N 1 2 361.486 2.239 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Cc3c[nH]c4ncccc34)CC2)cc1 ZINC000464855343 560853742 /nfs/dbraw/zinc/85/37/42/560853742.db2.gz HGQNCASAYRRMRT-UHFFFAOYSA-N 1 2 359.433 2.321 20 30 FEEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)c1cn(CCCC#N)c2ccccc12 ZINC000469376317 560953722 /nfs/dbraw/zinc/95/37/22/560953722.db2.gz BRVDTQQGOBTMGL-MRXNPFEDSA-N 1 2 354.454 2.396 20 30 FEEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)c1cn(CCCC#N)c2ccccc12 ZINC000469376317 560953723 /nfs/dbraw/zinc/95/37/23/560953723.db2.gz BRVDTQQGOBTMGL-MRXNPFEDSA-N 1 2 354.454 2.396 20 30 FEEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1CCSC[C@H]1CCO ZINC000470213210 560976661 /nfs/dbraw/zinc/97/66/61/560976661.db2.gz FMHFEPMXCFYXIV-CYBMUJFWSA-N 1 2 351.497 2.041 20 30 FEEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1CCSC[C@H]1CCO ZINC000470213210 560976662 /nfs/dbraw/zinc/97/66/62/560976662.db2.gz FMHFEPMXCFYXIV-CYBMUJFWSA-N 1 2 351.497 2.041 20 30 FEEDLO CC[C@@H]1C[N@H+](CCNC(=O)CCCCOc2cccc(C#N)c2)CCO1 ZINC000470450217 560982408 /nfs/dbraw/zinc/98/24/08/560982408.db2.gz VWJYBGKZOPSWNK-GOSISDBHSA-N 1 2 359.470 2.334 20 30 FEEDLO CC[C@@H]1C[N@@H+](CCNC(=O)CCCCOc2cccc(C#N)c2)CCO1 ZINC000470450217 560982409 /nfs/dbraw/zinc/98/24/09/560982409.db2.gz VWJYBGKZOPSWNK-GOSISDBHSA-N 1 2 359.470 2.334 20 30 FEEDLO Cc1nn(C)c(N2CC[NH+](Cc3cccc(OC(C)(C)C)n3)CC2)c1C#N ZINC000472153476 561019681 /nfs/dbraw/zinc/01/96/81/561019681.db2.gz JDVICHZIHZROLS-UHFFFAOYSA-N 1 2 368.485 2.495 20 30 FEEDLO C=CCCCCNC(=O)NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000472854163 561036391 /nfs/dbraw/zinc/03/63/91/561036391.db2.gz PFYPRQMUESPEMK-UHFFFAOYSA-N 1 2 364.534 2.366 20 30 FEEDLO COc1c(Cl)cccc1NC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000473995102 561063024 /nfs/dbraw/zinc/06/30/24/561063024.db2.gz MAKDCLVWTVUQQF-UHFFFAOYSA-N 1 2 366.849 2.428 20 30 FEEDLO Cc1[nH+]c2ccc(C(=O)N3CCN(c4cccc(C#N)n4)CC3)cc2n1C ZINC000476676694 561125794 /nfs/dbraw/zinc/12/57/94/561125794.db2.gz TXUZKCSEBZKBOD-UHFFFAOYSA-N 1 2 360.421 2.111 20 30 FEEDLO N#Cc1ccc(CC(=O)N2CC[NH+](Cc3ccccc3Cl)CC2)cn1 ZINC000528847152 562350216 /nfs/dbraw/zinc/35/02/16/562350216.db2.gz TYCGCWOFNXYSOR-UHFFFAOYSA-N 1 2 354.841 2.494 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1=O ZINC000532204653 562470572 /nfs/dbraw/zinc/47/05/72/562470572.db2.gz XRXICWVUHQLXCF-WFASDCNBSA-N 1 2 372.494 2.154 20 30 FEEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1=O ZINC000532204653 562470573 /nfs/dbraw/zinc/47/05/73/562470573.db2.gz XRXICWVUHQLXCF-WFASDCNBSA-N 1 2 372.494 2.154 20 30 FEEDLO COc1cc2c(cc1CN(CCC#N)CC[NH+]1CCOCC1)O[C@H](C)C2 ZINC000532501590 562479637 /nfs/dbraw/zinc/47/96/37/562479637.db2.gz GSXJJJFEGAYPBP-MRXNPFEDSA-N 1 2 359.470 2.066 20 30 FEEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+](C)[C@@H]2CCNC2=O)c1C#N ZINC000534667576 562539856 /nfs/dbraw/zinc/53/98/56/562539856.db2.gz UHEZYZKOFQKXMJ-QGZVFWFLSA-N 1 2 371.485 2.241 20 30 FEEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+](C)[C@@H]2CCNC2=O)c1C#N ZINC000534667576 562539857 /nfs/dbraw/zinc/53/98/57/562539857.db2.gz UHEZYZKOFQKXMJ-QGZVFWFLSA-N 1 2 371.485 2.241 20 30 FEEDLO Cc1cc(Br)cn2cc(CNC(=O)NC[C@@H](C)C#N)[nH+]c12 ZINC000546143236 562634186 /nfs/dbraw/zinc/63/41/86/562634186.db2.gz RMNMBWVLNYNKAN-VIFPVBQESA-N 1 2 350.220 2.364 20 30 FEEDLO COc1cc(-c2noc(C[NH+]3C[C@H](C)N(CC#N)[C@@H](C)C3)n2)ccc1C ZINC000602852264 568001530 /nfs/dbraw/zinc/00/15/30/568001530.db2.gz APVTYYOALYUWOY-GJZGRUSLSA-N 1 2 355.442 2.472 20 30 FEEDLO C[C@@H]1C[N@@H+](Cc2csc(-c3ccc(C(N)=O)cc3)n2)C[C@H](C)N1CC#N ZINC000602852257 568001633 /nfs/dbraw/zinc/00/16/33/568001633.db2.gz AKIPEODGEJUHGK-OKILXGFUSA-N 1 2 369.494 2.327 20 30 FEEDLO C[C@@H]1C[N@H+](Cc2csc(-c3ccc(C(N)=O)cc3)n2)C[C@H](C)N1CC#N ZINC000602852257 568001635 /nfs/dbraw/zinc/00/16/35/568001635.db2.gz AKIPEODGEJUHGK-OKILXGFUSA-N 1 2 369.494 2.327 20 30 FEEDLO C[C@H](C(=O)Nc1cccc2ncccc21)[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602866673 568008467 /nfs/dbraw/zinc/00/84/67/568008467.db2.gz WZDJDDXMKYWIES-HRCADAONSA-N 1 2 351.454 2.480 20 30 FEEDLO CC(C)CCNC(=O)C1CCN(C(=O)C[N@H+](C)[C@@H]2CCC[C@@H]2C#N)CC1 ZINC000602977543 568036297 /nfs/dbraw/zinc/03/62/97/568036297.db2.gz COAZUSPKCRIFQQ-QZTJIDSGSA-N 1 2 362.518 2.011 20 30 FEEDLO CC(C)CCNC(=O)C1CCN(C(=O)C[N@@H+](C)[C@@H]2CCC[C@@H]2C#N)CC1 ZINC000602977543 568036298 /nfs/dbraw/zinc/03/62/98/568036298.db2.gz COAZUSPKCRIFQQ-QZTJIDSGSA-N 1 2 362.518 2.011 20 30 FEEDLO CC(=O)Nc1ccc(S(=O)(=O)CCC[N@@H+](C)[C@@H]2CCC[C@H]2C#N)cc1 ZINC000602977335 568036316 /nfs/dbraw/zinc/03/63/16/568036316.db2.gz ACGZOPQVUVQXOI-MAUKXSAKSA-N 1 2 363.483 2.433 20 30 FEEDLO CC(=O)Nc1ccc(S(=O)(=O)CCC[N@H+](C)[C@@H]2CCC[C@H]2C#N)cc1 ZINC000602977335 568036317 /nfs/dbraw/zinc/03/63/17/568036317.db2.gz ACGZOPQVUVQXOI-MAUKXSAKSA-N 1 2 363.483 2.433 20 30 FEEDLO C=CC[N@H+](C[C@@H]1CCc2ncnn21)[C@@H](Cc1ccccc1)C(=O)OCC ZINC000602813100 568042664 /nfs/dbraw/zinc/04/26/64/568042664.db2.gz DUYNQWBSFNTNBV-ROUUACIJSA-N 1 2 354.454 2.428 20 30 FEEDLO C=CC[N@@H+](C[C@@H]1CCc2ncnn21)[C@@H](Cc1ccccc1)C(=O)OCC ZINC000602813100 568042665 /nfs/dbraw/zinc/04/26/65/568042665.db2.gz DUYNQWBSFNTNBV-ROUUACIJSA-N 1 2 354.454 2.428 20 30 FEEDLO Cc1nc([C@@H]2CCCC[N@@H+]2C[C@H](O)COc2ccc(CC#N)cc2)no1 ZINC000603844416 568156389 /nfs/dbraw/zinc/15/63/89/568156389.db2.gz GAGULEYKOKGIHT-WMZOPIPTSA-N 1 2 356.426 2.411 20 30 FEEDLO Cc1nc([C@@H]2CCCC[N@H+]2C[C@H](O)COc2ccc(CC#N)cc2)no1 ZINC000603844416 568156391 /nfs/dbraw/zinc/15/63/91/568156391.db2.gz GAGULEYKOKGIHT-WMZOPIPTSA-N 1 2 356.426 2.411 20 30 FEEDLO C=C(CNC(=O)N1CC[NH+](CCc2cnccn2)CC1)c1ccccc1 ZINC000637147673 568451545 /nfs/dbraw/zinc/45/15/45/568451545.db2.gz WOGLYIGMNZGGTC-UHFFFAOYSA-N 1 2 351.454 2.060 20 30 FEEDLO CC[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)[C@H]1CCN(c2ccccc2)C1=O ZINC000609488876 568466212 /nfs/dbraw/zinc/46/62/12/568466212.db2.gz CHGQQZWWKLZEIW-FXAWDEMLSA-N 1 2 356.470 2.168 20 30 FEEDLO CC[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)[C@H]1CCN(c2ccccc2)C1=O ZINC000609488876 568466214 /nfs/dbraw/zinc/46/62/14/568466214.db2.gz CHGQQZWWKLZEIW-FXAWDEMLSA-N 1 2 356.470 2.168 20 30 FEEDLO C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000669198338 568564733 /nfs/dbraw/zinc/56/47/33/568564733.db2.gz NZSRBURNYZJFQM-ZACQAIPSSA-N 1 2 356.470 2.028 20 30 FEEDLO C=CC[N@H+](Cc1cccc(-c2nn[nH]n2)c1)CN1C[C@@H](CCC)CC1=O ZINC000819745960 599329298 /nfs/dbraw/zinc/32/92/98/599329298.db2.gz WUYFDFHUQYKHGK-HNNXBMFYSA-N 1 2 354.458 2.461 20 30 FEEDLO C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)CN1C[C@@H](CCC)CC1=O ZINC000819745960 599329301 /nfs/dbraw/zinc/32/93/01/599329301.db2.gz WUYFDFHUQYKHGK-HNNXBMFYSA-N 1 2 354.458 2.461 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+](CCc2ccccc2)C2CC2)nc1 ZINC000808712271 674469273 /nfs/dbraw/zinc/46/92/73/674469273.db2.gz BXTTYQLRCWTYMQ-UHFFFAOYSA-N 1 2 355.463 2.434 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+](CCc2ccccc2)C2CC2)nc1 ZINC000808712271 674469275 /nfs/dbraw/zinc/46/92/75/674469275.db2.gz BXTTYQLRCWTYMQ-UHFFFAOYSA-N 1 2 355.463 2.434 20 30 FEEDLO N#Cc1c(F)cccc1N1CC[NH+](Cc2cc(-c3nn[nH]n3)cs2)CC1 ZINC000826383070 608596066 /nfs/dbraw/zinc/59/60/66/608596066.db2.gz IYDDNHUDTBBPTF-UHFFFAOYSA-N 1 2 369.429 2.261 20 30 FEEDLO CC(C)c1csc(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)n1 ZINC000566115322 675182485 /nfs/dbraw/zinc/18/24/85/675182485.db2.gz PDYPISWJNOEFQU-UHFFFAOYSA-N 1 2 350.469 2.097 20 30 FEEDLO Cc1ncc(S(=O)(=O)N2C[C@@H](C)[NH2+]Cc3ccc(F)cc32)cc1C#N ZINC000575936428 671332334 /nfs/dbraw/zinc/33/23/34/671332334.db2.gz UKPXMGGJEDMPCT-LLVKDONJSA-N 1 2 360.414 2.088 20 30 FEEDLO N#CCCN(C(=O)C[N@@H+](CC(N)=O)C1CCCC1)c1cccc(Cl)c1 ZINC000609138946 675911842 /nfs/dbraw/zinc/91/18/42/675911842.db2.gz JKDHNWVJFAEYPM-UHFFFAOYSA-N 1 2 362.861 2.317 20 30 FEEDLO N#CCCN(C(=O)C[N@H+](CC(N)=O)C1CCCC1)c1cccc(Cl)c1 ZINC000609138946 675911844 /nfs/dbraw/zinc/91/18/44/675911844.db2.gz JKDHNWVJFAEYPM-UHFFFAOYSA-N 1 2 362.861 2.317 20 30 FEEDLO C[C@@H](CNS(=O)(=O)CC1(C#N)CCC1)[N@@H+]1CCc2sccc2C1 ZINC000579291614 671725021 /nfs/dbraw/zinc/72/50/21/671725021.db2.gz XSUJOOFVEYOGRU-ZDUSSCGKSA-N 1 2 353.513 2.108 20 30 FEEDLO C[C@@H](CNS(=O)(=O)CC1(C#N)CCC1)[N@H+]1CCc2sccc2C1 ZINC000579291614 671725023 /nfs/dbraw/zinc/72/50/23/671725023.db2.gz XSUJOOFVEYOGRU-ZDUSSCGKSA-N 1 2 353.513 2.108 20 30 FEEDLO C[C@@H]1CN(S(=O)(=O)c2cccc(Br)c2C#N)C[C@H](C)[N@H+]1C ZINC000581024248 671856170 /nfs/dbraw/zinc/85/61/70/671856170.db2.gz ARXGCRJIMPAGGN-PHIMTYICSA-N 1 2 372.288 2.034 20 30 FEEDLO C[C@@H]1CN(S(=O)(=O)c2cccc(Br)c2C#N)C[C@H](C)[N@@H+]1C ZINC000581024248 671856176 /nfs/dbraw/zinc/85/61/76/671856176.db2.gz ARXGCRJIMPAGGN-PHIMTYICSA-N 1 2 372.288 2.034 20 30 FEEDLO Cc1csc(=O)n1CC[NH+]1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000611552817 676043845 /nfs/dbraw/zinc/04/38/45/676043845.db2.gz MCYYRNLGVRSAEF-QGZVFWFLSA-N 1 2 360.458 2.240 20 30 FEEDLO C[C@@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592148404 672763994 /nfs/dbraw/zinc/76/39/94/672763994.db2.gz YEWOUOXGINYURN-XHDPSFHLSA-N 1 2 352.232 2.127 20 30 FEEDLO C[C@@H](C(=O)Nc1cccc(Br)c1)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592148404 672763997 /nfs/dbraw/zinc/76/39/97/672763997.db2.gz YEWOUOXGINYURN-XHDPSFHLSA-N 1 2 352.232 2.127 20 30 FEEDLO C[C@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592148399 672764065 /nfs/dbraw/zinc/76/40/65/672764065.db2.gz YEWOUOXGINYURN-ABAIWWIYSA-N 1 2 352.232 2.127 20 30 FEEDLO C[C@H](C(=O)Nc1cccc(Br)c1)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592148399 672764067 /nfs/dbraw/zinc/76/40/67/672764067.db2.gz YEWOUOXGINYURN-ABAIWWIYSA-N 1 2 352.232 2.127 20 30 FEEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NC2CCN(CC#N)CC2)CC1 ZINC000613212719 676117475 /nfs/dbraw/zinc/11/74/75/676117475.db2.gz BODFHRMYJIAUOK-OAHLLOKOSA-N 1 2 361.515 2.124 20 30 FEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(I)cc1 ZINC000730095546 673261954 /nfs/dbraw/zinc/26/19/54/673261954.db2.gz KYVDHPHLUKBRHU-ZDUSSCGKSA-N 1 2 354.191 2.327 20 30 FEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(I)cc1 ZINC000730095546 673261955 /nfs/dbraw/zinc/26/19/55/673261955.db2.gz KYVDHPHLUKBRHU-ZDUSSCGKSA-N 1 2 354.191 2.327 20 30 FEEDLO N#Cc1ccsc1N1CC[C@H]([NH2+][C@@H](CO)c2ccc(F)cc2F)C1=O ZINC000595866545 673332234 /nfs/dbraw/zinc/33/22/34/673332234.db2.gz IRRKJNTTWKIATA-GJZGRUSLSA-N 1 2 363.389 2.326 20 30 FEEDLO CCS[C@@H](C)c1noc(C[N@H+](C)C[C@H](O)CC2(C#N)CCOCC2)n1 ZINC000599322036 673658642 /nfs/dbraw/zinc/65/86/42/673658642.db2.gz XFSJEEMNKIHBSD-UONOGXRCSA-N 1 2 368.503 2.387 20 30 FEEDLO CCS[C@@H](C)c1noc(C[N@@H+](C)C[C@H](O)CC2(C#N)CCOCC2)n1 ZINC000599322036 673658645 /nfs/dbraw/zinc/65/86/45/673658645.db2.gz XFSJEEMNKIHBSD-UONOGXRCSA-N 1 2 368.503 2.387 20 30 FEEDLO Cc1cc(Br)cn2cc(CCNC(=O)NC[C@@H](C)C#N)[nH+]c12 ZINC000546851781 673823073 /nfs/dbraw/zinc/82/30/73/673823073.db2.gz WNCBDFXVMJYJOW-JTQLQIEISA-N 1 2 364.247 2.407 20 30 FEEDLO Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000601370662 673849793 /nfs/dbraw/zinc/84/97/93/673849793.db2.gz UGIUWHQTDPKOJD-WBMJQRKESA-N 1 2 362.430 2.474 20 30 FEEDLO C[N@H+](CCC#N)C[C@H](O)CNc1ccc(N2CCCC2=O)c(Cl)c1 ZINC000819398587 675288037 /nfs/dbraw/zinc/28/80/37/675288037.db2.gz URFABJXFUBMOAX-CQSZACIVSA-N 1 2 350.850 2.085 20 30 FEEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1ccc(N2CCCC2=O)c(Cl)c1 ZINC000819398587 675288040 /nfs/dbraw/zinc/28/80/40/675288040.db2.gz URFABJXFUBMOAX-CQSZACIVSA-N 1 2 350.850 2.085 20 30 FEEDLO O=S(=O)(NC[C@H]1CCC[N@@H+](CC#Cc2ccccc2Cl)C1)C1CC1 ZINC000567424630 675292061 /nfs/dbraw/zinc/29/20/61/675292061.db2.gz IUKFQBSKDAXRML-OAHLLOKOSA-N 1 2 366.914 2.485 20 30 FEEDLO O=S(=O)(NC[C@H]1CCC[N@H+](CC#Cc2ccccc2Cl)C1)C1CC1 ZINC000567424630 675292064 /nfs/dbraw/zinc/29/20/64/675292064.db2.gz IUKFQBSKDAXRML-OAHLLOKOSA-N 1 2 366.914 2.485 20 30 FEEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(c3ccc(Cl)cc3F)C2=O)nn1 ZINC000641107893 677194508 /nfs/dbraw/zinc/19/45/08/677194508.db2.gz JOINZTNTBVOPMJ-INIZCTEOSA-N 1 2 361.808 2.162 20 30 FEEDLO CC#CC[NH2+]Cc1cn(C[C@H](O)COc2ccc(Cl)cc2Cl)nn1 ZINC000641195474 677196375 /nfs/dbraw/zinc/19/63/75/677196375.db2.gz BURAHDHFPVWQFU-AWEZNQCLSA-N 1 2 369.252 2.138 20 30 FEEDLO CC#CC[NH2+]Cc1cn(C[C@@H](O)Cc2ccccc2C(F)(F)F)nn1 ZINC000641227185 677197467 /nfs/dbraw/zinc/19/74/67/677197467.db2.gz VGUJVPOKVBWBMK-HNNXBMFYSA-N 1 2 352.360 2.013 20 30 FEEDLO C=C(C)[C@@H](CO)[N@@H+]1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000649273670 677328568 /nfs/dbraw/zinc/32/85/68/677328568.db2.gz BLHJEQRYNCYIFV-GFCCVEGCSA-N 1 2 364.920 2.035 20 30 FEEDLO C=C(C)[C@@H](CO)[N@H+]1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000649273670 677328569 /nfs/dbraw/zinc/32/85/69/677328569.db2.gz BLHJEQRYNCYIFV-GFCCVEGCSA-N 1 2 364.920 2.035 20 30 FEEDLO C[C@@H]1CCCC[C@H]1OCCNC(=O)CO[NH+]=C(N)c1ccc(F)cc1 ZINC000762665906 680757692 /nfs/dbraw/zinc/75/76/92/680757692.db2.gz VBDWALJDYSVZNF-CZUORRHYSA-N 1 2 351.422 2.174 20 30 FEEDLO C=CC[N@@H+](CCc1ccc2c(c1)OC(F)(F)O2)[C@H]1CCS(=O)(=O)C1 ZINC000660071026 678273342 /nfs/dbraw/zinc/27/33/42/678273342.db2.gz UMJWMNTWOVDRIX-ZDUSSCGKSA-N 1 2 359.394 2.226 20 30 FEEDLO C=CC[N@H+](CCc1ccc2c(c1)OC(F)(F)O2)[C@H]1CCS(=O)(=O)C1 ZINC000660071026 678273347 /nfs/dbraw/zinc/27/33/47/678273347.db2.gz UMJWMNTWOVDRIX-ZDUSSCGKSA-N 1 2 359.394 2.226 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2cc(O)ccc2Cl)C1 ZINC001015726496 680050667 /nfs/dbraw/zinc/05/06/67/680050667.db2.gz NXJOCZHVOBEDOP-UNEWFSDZSA-N 1 2 350.846 2.327 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2cc(O)ccc2Cl)C1 ZINC001015726496 680050671 /nfs/dbraw/zinc/05/06/71/680050671.db2.gz NXJOCZHVOBEDOP-UNEWFSDZSA-N 1 2 350.846 2.327 20 30 FEEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)CC2)s1 ZINC000981642055 680243184 /nfs/dbraw/zinc/24/31/84/680243184.db2.gz YUQNCVBYESXBEG-JCGIZDLHSA-N 1 2 359.495 2.469 20 30 FEEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)CC2)s1 ZINC000981642055 680243190 /nfs/dbraw/zinc/24/31/90/680243190.db2.gz YUQNCVBYESXBEG-JCGIZDLHSA-N 1 2 359.495 2.469 20 30 FEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2csnn2)C(C)(C)C1 ZINC000996394681 680331110 /nfs/dbraw/zinc/33/11/10/680331110.db2.gz OFABCIVCPMEGRZ-XHSDSOJGSA-N 1 2 364.515 2.236 20 30 FEEDLO O=C(NC1CN(CC#Cc2ccccc2Cl)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001030473537 680399570 /nfs/dbraw/zinc/39/95/70/680399570.db2.gz UWWKDSSKYCETBZ-HZPDHXFCSA-N 1 2 354.841 2.019 20 30 FEEDLO O=C(NC1CN(CC#Cc2ccccc2Cl)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001030473537 680399573 /nfs/dbraw/zinc/39/95/73/680399573.db2.gz UWWKDSSKYCETBZ-HZPDHXFCSA-N 1 2 354.841 2.019 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1C[NH+](Cc2ccc(Cl)c(OC)c2)C1 ZINC001031988452 680410554 /nfs/dbraw/zinc/41/05/54/680410554.db2.gz YCSCFIGIKRXHNZ-WBVHZDCISA-N 1 2 364.873 2.488 20 30 FEEDLO O=C(NCC1C[NH+](CC#Cc2ccc(Cl)cc2)C1)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001031992695 680410991 /nfs/dbraw/zinc/41/09/91/680410991.db2.gz KWRJKPLFPWIDHH-QRVBRYPASA-N 1 2 358.869 2.307 20 30 FEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CCCC[N@H+](Cc2cnns2)C1 ZINC001034434963 680436203 /nfs/dbraw/zinc/43/62/03/680436203.db2.gz CQOPILSVPCGHOC-XIRDDKMYSA-N 1 2 364.515 2.380 20 30 FEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CCCC[N@@H+](Cc2cnns2)C1 ZINC001034434963 680436205 /nfs/dbraw/zinc/43/62/05/680436205.db2.gz CQOPILSVPCGHOC-XIRDDKMYSA-N 1 2 364.515 2.380 20 30 FEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1CC[NH+](Cc2cnns2)CC1 ZINC001001934020 680482642 /nfs/dbraw/zinc/48/26/42/680482642.db2.gz MGQINWSPFUQZGT-IRXDYDNUSA-N 1 2 364.515 2.238 20 30 FEEDLO Cc1nsc(N[C@@H]2CN(C(=O)C[C@H](C)n3cc[nH+]c3)C[C@H]2C)c1C#N ZINC001043542864 680586596 /nfs/dbraw/zinc/58/65/96/680586596.db2.gz KXZJKQMPDPZGFU-TYNCELHUSA-N 1 2 358.471 2.430 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]1(C)CC[N@H+](Cc2cnc(Cl)s2)C1 ZINC001046631693 680651765 /nfs/dbraw/zinc/65/17/65/680651765.db2.gz JFEBTXLIHUFTMC-WWGRRREGSA-N 1 2 355.891 2.468 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]1(C)CC[N@@H+](Cc2cnc(Cl)s2)C1 ZINC001046631693 680651767 /nfs/dbraw/zinc/65/17/67/680651767.db2.gz JFEBTXLIHUFTMC-WWGRRREGSA-N 1 2 355.891 2.468 20 30 FEEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](CC(=O)Nc3ccc(Cl)nc3)C2)nc1 ZINC000852076623 682215168 /nfs/dbraw/zinc/21/51/68/682215168.db2.gz UJEQFPGQMWLAHW-CQSZACIVSA-N 1 2 357.801 2.093 20 30 FEEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](CC(=O)Nc3ccc(Cl)nc3)C2)nc1 ZINC000852076623 682215171 /nfs/dbraw/zinc/21/51/71/682215171.db2.gz UJEQFPGQMWLAHW-CQSZACIVSA-N 1 2 357.801 2.093 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CC(=C)Br)C1 ZINC000971555861 682358957 /nfs/dbraw/zinc/35/89/57/682358957.db2.gz LOAJFDSXJPHHJO-KFWWJZLASA-N 1 2 357.292 2.409 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CC(=C)Br)C1 ZINC000971555861 682358960 /nfs/dbraw/zinc/35/89/60/682358960.db2.gz LOAJFDSXJPHHJO-KFWWJZLASA-N 1 2 357.292 2.409 20 30 FEEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCO[C@H]2C2CC2)C1 ZINC000971980344 682385321 /nfs/dbraw/zinc/38/53/21/682385321.db2.gz YSXCPLREPZDRBS-ZNMIVQPWSA-N 1 2 357.292 2.243 20 30 FEEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCO[C@H]2C2CC2)C1 ZINC000971980344 682385326 /nfs/dbraw/zinc/38/53/26/682385326.db2.gz YSXCPLREPZDRBS-ZNMIVQPWSA-N 1 2 357.292 2.243 20 30 FEEDLO Cc1[nH+]cc(C=NN2C(=S)N=NC2[C@@H]2COc3ccccc3O2)n1C ZINC000853271200 682400440 /nfs/dbraw/zinc/40/04/40/682400440.db2.gz CGDUWECXCRFJOD-AWEZNQCLSA-N 1 2 356.411 2.003 20 30 FEEDLO C#CCCCOc1ccc[nH+]c1NCCS(=O)(=O)NCC1CCC1 ZINC000853307523 682404065 /nfs/dbraw/zinc/40/40/65/682404065.db2.gz LTCDKTQEJDTPPY-UHFFFAOYSA-N 1 2 351.472 2.005 20 30 FEEDLO C#CCCCOc1ccc[nH+]c1NC[C@H]1CCC[C@@H]1NS(C)(=O)=O ZINC000853442956 682414240 /nfs/dbraw/zinc/41/42/40/682414240.db2.gz PRDOERMCTSYYGG-CABCVRRESA-N 1 2 351.472 2.004 20 30 FEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3ccc(C)s3)C2)C1 ZINC000972594697 682425398 /nfs/dbraw/zinc/42/53/98/682425398.db2.gz UZIALGAVNUWFOT-HLIPFELVSA-N 1 2 358.507 2.487 20 30 FEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3ccc(C)s3)C2)C1 ZINC000972594697 682425400 /nfs/dbraw/zinc/42/54/00/682425400.db2.gz UZIALGAVNUWFOT-HLIPFELVSA-N 1 2 358.507 2.487 20 30 FEEDLO N#Cc1ccc(Cl)c(S(=O)(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)c1 ZINC000921322098 683423071 /nfs/dbraw/zinc/42/30/71/683423071.db2.gz NPGVMHSRAWTNBM-KGLIPLIRSA-N 1 2 371.915 2.070 20 30 FEEDLO N#Cc1ccc(Cl)c(S(=O)(=O)N[C@@H]2CCC[N@H+]3CCSC[C@@H]23)c1 ZINC000921322098 683423075 /nfs/dbraw/zinc/42/30/75/683423075.db2.gz NPGVMHSRAWTNBM-KGLIPLIRSA-N 1 2 371.915 2.070 20 30 FEEDLO C#CC[NH+]1CCC(NS(=O)(=O)c2oc3ccc(F)cc3c2C)CC1 ZINC000921437933 683467636 /nfs/dbraw/zinc/46/76/36/683467636.db2.gz KZUMPFOCZBOFCZ-UHFFFAOYSA-N 1 2 350.415 2.256 20 30 FEEDLO COC(=O)c1ccc(Br)c(C[N@@H+]2CC[C@@](O)(CC#N)C2)c1 ZINC000930819172 683788988 /nfs/dbraw/zinc/78/89/88/683788988.db2.gz TVIKMJJCVQUZEP-HNNXBMFYSA-N 1 2 353.216 2.086 20 30 FEEDLO COC(=O)c1ccc(Br)c(C[N@H+]2CC[C@@](O)(CC#N)C2)c1 ZINC000930819172 683788991 /nfs/dbraw/zinc/78/89/91/683788991.db2.gz TVIKMJJCVQUZEP-HNNXBMFYSA-N 1 2 353.216 2.086 20 30 FEEDLO C[C@@H]1[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000930835371 683790842 /nfs/dbraw/zinc/79/08/42/683790842.db2.gz PUNTUTWLLADNDP-TUAOUCFPSA-N 1 2 360.483 2.034 20 30 FEEDLO C[C@@H]1[C@H](C)NC(=O)[C@H](C)[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000930835371 683790845 /nfs/dbraw/zinc/79/08/45/683790845.db2.gz PUNTUTWLLADNDP-TUAOUCFPSA-N 1 2 360.483 2.034 20 30 FEEDLO N#C[C@H](NC(=O)/C=C\C[NH+]1CCOCC1)c1cccc(C(F)(F)F)c1 ZINC000865658675 684011164 /nfs/dbraw/zinc/01/11/64/684011164.db2.gz WESRJSKEIJGJDQ-PRSOIBJXSA-N 1 2 353.344 2.275 20 30 FEEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCc2c(=O)[nH]n(C)c2C1 ZINC000931199060 684239661 /nfs/dbraw/zinc/23/96/61/684239661.db2.gz RXPRWTXWIWDNCP-ZDUSSCGKSA-N 1 2 360.483 2.149 20 30 FEEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCc2c(=O)[nH]n(C)c2C1 ZINC000931199060 684239664 /nfs/dbraw/zinc/23/96/64/684239664.db2.gz RXPRWTXWIWDNCP-ZDUSSCGKSA-N 1 2 360.483 2.149 20 30 FEEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2sc(N3CCCC3)nc2Cl)C1 ZINC000923581182 684308444 /nfs/dbraw/zinc/30/84/44/684308444.db2.gz GVRHFABENDJMFS-GFCCVEGCSA-N 1 2 352.891 2.224 20 30 FEEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2sc(N3CCCC3)nc2Cl)C1 ZINC000923581182 684308446 /nfs/dbraw/zinc/30/84/46/684308446.db2.gz GVRHFABENDJMFS-GFCCVEGCSA-N 1 2 352.891 2.224 20 30 FEEDLO CSC1([C@@H](C#N)N(C)C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000876452254 686205940 /nfs/dbraw/zinc/20/59/40/686205940.db2.gz OCWCIJLXIFVFGU-DLBZAZTESA-N 1 2 359.495 2.134 20 30 FEEDLO CSC1([C@@H](C#N)N(C)C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000876452254 686205943 /nfs/dbraw/zinc/20/59/43/686205943.db2.gz OCWCIJLXIFVFGU-DLBZAZTESA-N 1 2 359.495 2.134 20 30 FEEDLO N#CCC1(C[NH+]2CCC(n3nncc3I)CC2)CC1 ZINC000878949770 686698843 /nfs/dbraw/zinc/69/88/43/686698843.db2.gz PSCZLCYAESRIGW-UHFFFAOYSA-N 1 2 371.226 2.213 20 30 FEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCCc1c[nH]c2cc(F)c(Cl)cc12 ZINC000884444367 687871967 /nfs/dbraw/zinc/87/19/67/687871967.db2.gz IFXMSYSRUMHBAZ-AWEZNQCLSA-N 1 2 367.808 2.066 20 30 FEEDLO N#CC1(C[C@H](O)C[NH+]2CC(O)(c3ccc(Br)cc3)C2)CCC1 ZINC000886287397 688225511 /nfs/dbraw/zinc/22/55/11/688225511.db2.gz QRQXYLUHCFEFEL-HNNXBMFYSA-N 1 2 365.271 2.397 20 30 FEEDLO N#Cc1cccc(-c2nnc(C[N@H+]3CC[C@@](CO)(C(F)(F)F)C3)o2)c1 ZINC000886799209 688314600 /nfs/dbraw/zinc/31/46/00/688314600.db2.gz NZURVKYWVFTSCX-OAHLLOKOSA-N 1 2 352.316 2.355 20 30 FEEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3CC[C@@](CO)(C(F)(F)F)C3)o2)c1 ZINC000886799209 688314604 /nfs/dbraw/zinc/31/46/04/688314604.db2.gz NZURVKYWVFTSCX-OAHLLOKOSA-N 1 2 352.316 2.355 20 30 FEEDLO C=C(C)COc1cc(C[N@H+]2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)ccc1OC ZINC000897618329 690050013 /nfs/dbraw/zinc/05/00/13/690050013.db2.gz DBBNPNYALJEBIS-IYBDPMFKSA-N 1 2 351.468 2.127 20 30 FEEDLO C=C(C)COc1cc(C[N@@H+]2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)ccc1OC ZINC000897618329 690050017 /nfs/dbraw/zinc/05/00/17/690050017.db2.gz DBBNPNYALJEBIS-IYBDPMFKSA-N 1 2 351.468 2.127 20 30 FEEDLO C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000898810088 690253639 /nfs/dbraw/zinc/25/36/39/690253639.db2.gz IEBCWSMVNIFSNE-NWDGAFQWSA-N 1 2 354.838 2.480 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000017843240 539644160 /nfs/dbraw/zinc/64/41/60/539644160.db2.gz OUBXOUIWWSNVPC-UHFFFAOYSA-N 1 2 350.378 2.424 20 30 FEEDLO N#Cc1ccc(CN2CC[NH+](CC(=O)N3CCCCCC3)CC2)c(F)c1 ZINC000022100785 539691052 /nfs/dbraw/zinc/69/10/52/539691052.db2.gz QVJUXFJSACMXCT-UHFFFAOYSA-N 1 2 358.461 2.218 20 30 FEEDLO C[N@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)Cc1cccc(C#N)c1 ZINC000026326559 539783683 /nfs/dbraw/zinc/78/36/83/539783683.db2.gz FAINZNMYLLWJMD-UHFFFAOYSA-N 1 2 368.349 2.266 20 30 FEEDLO C[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)Cc1cccc(C#N)c1 ZINC000026326559 539783688 /nfs/dbraw/zinc/78/36/88/539783688.db2.gz FAINZNMYLLWJMD-UHFFFAOYSA-N 1 2 368.349 2.266 20 30 FEEDLO C[C@@H](CNS(=O)(=O)c1ccccc1C#N)[N@@H+]1CCc2sccc2C1 ZINC000026839732 539794805 /nfs/dbraw/zinc/79/48/05/539794805.db2.gz RAWFDPUVWSZKJX-ZDUSSCGKSA-N 1 2 361.492 2.345 20 30 FEEDLO C[C@@H](CNS(=O)(=O)c1ccccc1C#N)[N@H+]1CCc2sccc2C1 ZINC000026839732 539794809 /nfs/dbraw/zinc/79/48/09/539794809.db2.gz RAWFDPUVWSZKJX-ZDUSSCGKSA-N 1 2 361.492 2.345 20 30 FEEDLO CCOc1ccc(C[NH+]2CCN(CC(=O)N[C@@](C)(C#N)C3CC3)CC2)cc1 ZINC000027568177 539809907 /nfs/dbraw/zinc/80/99/07/539809907.db2.gz DIHAJQYRHRPURB-NRFANRHFSA-N 1 2 370.497 2.011 20 30 FEEDLO N#Cc1ccc(OCC(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)cc1 ZINC000030699919 539890145 /nfs/dbraw/zinc/89/01/45/539890145.db2.gz PNUXRKVGMPEAOL-FQEVSTJZSA-N 1 2 365.433 2.127 20 30 FEEDLO C[C@H](NC(=O)NCc1cc[nH+]c(N2CCOCC2)c1)c1ccc(C#N)cc1 ZINC000031121780 539898384 /nfs/dbraw/zinc/89/83/84/539898384.db2.gz XVSZEMZZFGOELD-HNNXBMFYSA-N 1 2 365.437 2.350 20 30 FEEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[NH+]1CCC(C(=O)N(C)C)CC1 ZINC000042675563 540073214 /nfs/dbraw/zinc/07/32/14/540073214.db2.gz NKHFKFXWKBLPAU-GFCCVEGCSA-N 1 2 374.510 2.236 20 30 FEEDLO N#CCc1ccc(OC[C@@H](O)Cn2c3ccccc3[nH+]c2CCCO)cc1 ZINC000047283130 540301940 /nfs/dbraw/zinc/30/19/40/540301940.db2.gz NMTUPGIMHLLERH-KRWDZBQOSA-N 1 2 365.433 2.467 20 30 FEEDLO CCOC(=O)N[C@@H]1CCC[N@H+](CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000047795908 540329163 /nfs/dbraw/zinc/32/91/63/540329163.db2.gz SBRYGRQANQCFQT-MRXNPFEDSA-N 1 2 358.442 2.144 20 30 FEEDLO CCOC(=O)N[C@@H]1CCC[N@@H+](CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000047795908 540329166 /nfs/dbraw/zinc/32/91/66/540329166.db2.gz SBRYGRQANQCFQT-MRXNPFEDSA-N 1 2 358.442 2.144 20 30 FEEDLO COc1ccc(C#N)cc1NC(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000050107624 540399771 /nfs/dbraw/zinc/39/97/71/540399771.db2.gz BGKNJXYNVHKPQW-UHFFFAOYSA-N 1 2 367.409 2.120 20 30 FEEDLO CCCCNC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000051059727 540420750 /nfs/dbraw/zinc/42/07/50/540420750.db2.gz YVJBVQGSUAIHDA-OAHLLOKOSA-N 1 2 360.458 2.335 20 30 FEEDLO CCCCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000051059727 540420752 /nfs/dbraw/zinc/42/07/52/540420752.db2.gz YVJBVQGSUAIHDA-OAHLLOKOSA-N 1 2 360.458 2.335 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCCN(Cc2ccc(F)cc2)CC1 ZINC000055121138 540630181 /nfs/dbraw/zinc/63/01/81/540630181.db2.gz VYLZMQFKDIZKNH-FQEVSTJZSA-N 1 2 360.477 2.388 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCCN(Cc2ccc(F)cc2)CC1 ZINC000055121138 540630185 /nfs/dbraw/zinc/63/01/85/540630185.db2.gz VYLZMQFKDIZKNH-FQEVSTJZSA-N 1 2 360.477 2.388 20 30 FEEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[NH+]1CCN(c2ccc(O)cc2)CC1 ZINC000057406127 540794100 /nfs/dbraw/zinc/79/41/00/540794100.db2.gz VWSCLVZLRSTSHP-HNNXBMFYSA-N 1 2 350.422 2.413 20 30 FEEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCN(c2ccc(O)cc2)CC1 ZINC000057406115 540794286 /nfs/dbraw/zinc/79/42/86/540794286.db2.gz LGAXPZKHOYHUIL-HNNXBMFYSA-N 1 2 350.422 2.413 20 30 FEEDLO CO/N=C/c1ccc(C(=O)N2CC[NH+](Cc3c(C)noc3C)CC2)cc1 ZINC000058277204 540837671 /nfs/dbraw/zinc/83/76/71/540837671.db2.gz QRIGPKPMAHVBBU-UDWIEESQSA-N 1 2 356.426 2.230 20 30 FEEDLO Cc1cccc2[nH+]c(CNC(=O)C(=O)Nc3ccc(C#N)c(Cl)c3)cn21 ZINC000068569822 541610551 /nfs/dbraw/zinc/61/05/51/541610551.db2.gz VNNZHXGBAXSACF-UHFFFAOYSA-N 1 2 367.796 2.423 20 30 FEEDLO CCc1ccc(N2CC[NH+](CC(=O)N(CCC#N)CCC#N)CC2)cc1 ZINC000072835891 541877313 /nfs/dbraw/zinc/87/73/13/541877313.db2.gz FYUCJWMVFRSSQA-UHFFFAOYSA-N 1 2 353.470 2.027 20 30 FEEDLO CC(C)c1noc([C@@H](C)ON=C(N)c2cccc(C[NH+]3CCOCC3)c2)n1 ZINC000072920322 541894202 /nfs/dbraw/zinc/89/42/02/541894202.db2.gz PSMWKWUQYMQMON-CQSZACIVSA-N 1 2 373.457 2.423 20 30 FEEDLO C[C@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000073108625 541919601 /nfs/dbraw/zinc/91/96/01/541919601.db2.gz SWBNFASMMLITGP-MTNOOBJLSA-N 1 2 369.513 2.405 20 30 FEEDLO N#Cc1cccnc1N1CC[NH+](CC(=O)N2CCC[C@@H]3CCCC[C@H]32)CC1 ZINC000073108573 541919981 /nfs/dbraw/zinc/91/99/81/541919981.db2.gz XOLFMKHRJZYWST-PKOBYXMFSA-N 1 2 367.497 2.256 20 30 FEEDLO CSc1[nH]c(=O)c(C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)cc1C#N ZINC000074828630 542125249 /nfs/dbraw/zinc/12/52/49/542125249.db2.gz DTMLJRDZOCQVEG-CYBMUJFWSA-N 1 2 360.483 2.185 20 30 FEEDLO CSc1[nH]c(=O)c(C(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)cc1C#N ZINC000074828630 542125250 /nfs/dbraw/zinc/12/52/50/542125250.db2.gz DTMLJRDZOCQVEG-CYBMUJFWSA-N 1 2 360.483 2.185 20 30 FEEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1CCC[C@@H](OC)C1 ZINC000076345904 542265946 /nfs/dbraw/zinc/26/59/46/542265946.db2.gz HVUGSTBEZXXBJT-MRXNPFEDSA-N 1 2 362.474 2.062 20 30 FEEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1CCC[C@@H](OC)C1 ZINC000076345904 542265949 /nfs/dbraw/zinc/26/59/49/542265949.db2.gz HVUGSTBEZXXBJT-MRXNPFEDSA-N 1 2 362.474 2.062 20 30 FEEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1CCC[C@H](OC)C1 ZINC000076345902 542266005 /nfs/dbraw/zinc/26/60/05/542266005.db2.gz HVUGSTBEZXXBJT-INIZCTEOSA-N 1 2 362.474 2.062 20 30 FEEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1CCC[C@H](OC)C1 ZINC000076345902 542266008 /nfs/dbraw/zinc/26/60/08/542266008.db2.gz HVUGSTBEZXXBJT-INIZCTEOSA-N 1 2 362.474 2.062 20 30 FEEDLO COc1cc[nH+]cc1NC(=O)C(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000076731286 542318676 /nfs/dbraw/zinc/31/86/76/542318676.db2.gz ZLFQMCDASVTMMK-WBVHZDCISA-N 1 2 364.405 2.327 20 30 FEEDLO C[C@H]1CN(c2ccc(CNc3ncc([N+](=O)[O-])cc3C#N)c[nH+]2)CCO1 ZINC000076794207 542322049 /nfs/dbraw/zinc/32/20/49/542322049.db2.gz RPRJBUCRYIIPNY-LBPRGKRZSA-N 1 2 354.370 2.094 20 30 FEEDLO CCOc1ccc(C[NH+]2CCN(CC(=O)N(CC)C[C@H](C)C#N)CC2)cc1 ZINC000076803725 542323091 /nfs/dbraw/zinc/32/30/91/542323091.db2.gz FSSPBMYNLDARTE-GOSISDBHSA-N 1 2 372.513 2.211 20 30 FEEDLO C=CCNC(=O)c1ccc(NC(=O)NCCc2cn3c([nH+]2)CCCC3)cc1 ZINC000077536938 542394467 /nfs/dbraw/zinc/39/44/67/542394467.db2.gz OKGISXDMVRJDAI-UHFFFAOYSA-N 1 2 367.453 2.499 20 30 FEEDLO CC(=O)N1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000021323806 220356544 /nfs/dbraw/zinc/35/65/44/220356544.db2.gz SABQSGHWXATLTP-UHFFFAOYSA-N 1 2 374.510 2.381 20 30 FEEDLO C[C@@H]1C[NH+]=C(N2CCN(CC(=O)N(CCC#N)c3ccccc3)CC2)S1 ZINC000079497494 542522535 /nfs/dbraw/zinc/52/25/35/542522535.db2.gz RBIQLECTBNGGGV-MRXNPFEDSA-N 1 2 371.510 2.042 20 30 FEEDLO CCN(CCC#N)C(=O)C[NH+]1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000079853339 542544953 /nfs/dbraw/zinc/54/49/53/542544953.db2.gz KMECJEIBZMZOTK-UHFFFAOYSA-N 1 2 366.868 2.359 20 30 FEEDLO CCN(C[C@H]1COc2ccccc2O1)C(=O)C[N@H+](CCC#N)CC1CC1 ZINC000081514709 542662184 /nfs/dbraw/zinc/66/21/84/542662184.db2.gz BFHIHCRFGNUJEX-KRWDZBQOSA-N 1 2 357.454 2.301 20 30 FEEDLO CCN(C[C@H]1COc2ccccc2O1)C(=O)C[N@@H+](CCC#N)CC1CC1 ZINC000081514709 542662188 /nfs/dbraw/zinc/66/21/88/542662188.db2.gz BFHIHCRFGNUJEX-KRWDZBQOSA-N 1 2 357.454 2.301 20 30 FEEDLO CC(=O)NC[C@@H]1CCC[N@H+](Cc2c(C#N)c(C)nn2-c2ccccc2)C1 ZINC000091067558 542792986 /nfs/dbraw/zinc/79/29/86/542792986.db2.gz NRKRMKBZWOWQHI-KRWDZBQOSA-N 1 2 351.454 2.401 20 30 FEEDLO CC(=O)NC[C@@H]1CCC[N@@H+](Cc2c(C#N)c(C)nn2-c2ccccc2)C1 ZINC000091067558 542792988 /nfs/dbraw/zinc/79/29/88/542792988.db2.gz NRKRMKBZWOWQHI-KRWDZBQOSA-N 1 2 351.454 2.401 20 30 FEEDLO C=CC[N@H+](Cc1ccc(Oc2cnccn2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000092361615 542859625 /nfs/dbraw/zinc/85/96/25/542859625.db2.gz UIOBWLAGMOKBHI-INIZCTEOSA-N 1 2 359.451 2.444 20 30 FEEDLO C=CC[N@@H+](Cc1ccc(Oc2cnccn2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000092361615 542859628 /nfs/dbraw/zinc/85/96/28/542859628.db2.gz UIOBWLAGMOKBHI-INIZCTEOSA-N 1 2 359.451 2.444 20 30 FEEDLO COc1ccc(OC)c(C[N@H+](CCO)Cc2cnc3ccc(C#N)cn23)c1 ZINC000093361485 542929178 /nfs/dbraw/zinc/92/91/78/542929178.db2.gz RHKSHNWMZOQWFW-UHFFFAOYSA-N 1 2 366.421 2.218 20 30 FEEDLO COc1ccc(OC)c(C[N@@H+](CCO)Cc2cnc3ccc(C#N)cn23)c1 ZINC000093361485 542929181 /nfs/dbraw/zinc/92/91/81/542929181.db2.gz RHKSHNWMZOQWFW-UHFFFAOYSA-N 1 2 366.421 2.218 20 30 FEEDLO C=CCOc1ccccc1CN1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000093843377 542943675 /nfs/dbraw/zinc/94/36/75/542943675.db2.gz UCTCXEFJDMGXDH-SFHVURJKSA-N 1 2 357.498 2.380 20 30 FEEDLO C=CCOc1ccccc1C[NH+]1CCN([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000093843377 542943679 /nfs/dbraw/zinc/94/36/79/542943679.db2.gz UCTCXEFJDMGXDH-SFHVURJKSA-N 1 2 357.498 2.380 20 30 FEEDLO Cc1ccc2oc(N3CC[NH+]([C@@H](C)C(=O)N(C)CCC#N)CC3)nc2c1 ZINC000106095355 543194770 /nfs/dbraw/zinc/19/47/70/543194770.db2.gz IFWWUIJVPDWEOT-HNNXBMFYSA-N 1 2 355.442 2.019 20 30 FEEDLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)N2CCO[C@H](C#N)C2)C[C@H](C)O1 ZINC000106321430 543222979 /nfs/dbraw/zinc/22/29/79/543222979.db2.gz JQYYOWBGJOWMGL-YQQAZPJKSA-N 1 2 358.442 2.052 20 30 FEEDLO C=CC[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCS(=O)(=O)C1 ZINC000108870488 543306490 /nfs/dbraw/zinc/30/64/90/543306490.db2.gz HDHZWCASXPVPGV-HNNXBMFYSA-N 1 2 354.428 2.039 20 30 FEEDLO C=CC[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCS(=O)(=O)C1 ZINC000108870488 543306494 /nfs/dbraw/zinc/30/64/94/543306494.db2.gz HDHZWCASXPVPGV-HNNXBMFYSA-N 1 2 354.428 2.039 20 30 FEEDLO C[N@H+](CC(=O)NC1(C#N)CCCCC1)[C@H]1CCN(c2ccccc2)C1=O ZINC000111251158 543388972 /nfs/dbraw/zinc/38/89/72/543388972.db2.gz NGAIWQKEYBJNGE-KRWDZBQOSA-N 1 2 354.454 2.066 20 30 FEEDLO C[N@@H+](CC(=O)NC1(C#N)CCCCC1)[C@H]1CCN(c2ccccc2)C1=O ZINC000111251158 543388975 /nfs/dbraw/zinc/38/89/75/543388975.db2.gz NGAIWQKEYBJNGE-KRWDZBQOSA-N 1 2 354.454 2.066 20 30 FEEDLO CNC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000111263609 543389860 /nfs/dbraw/zinc/38/98/60/543389860.db2.gz WOBXUNCOSOEFKG-CYBMUJFWSA-N 1 2 374.510 2.285 20 30 FEEDLO CNC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000111263609 543389862 /nfs/dbraw/zinc/38/98/62/543389862.db2.gz WOBXUNCOSOEFKG-CYBMUJFWSA-N 1 2 374.510 2.285 20 30 FEEDLO N#C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)nc2)CCN1Cc1ccccc1 ZINC000114441396 543516463 /nfs/dbraw/zinc/51/64/63/543516463.db2.gz MULMXZMPPYPBHD-LJQANCHMSA-N 1 2 372.432 2.117 20 30 FEEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@H]1C(=O)Nc1cc(C)ccc1OC ZINC000117892022 543641144 /nfs/dbraw/zinc/64/11/44/543641144.db2.gz BWQXNTAZFSYODN-KRWDZBQOSA-N 1 2 372.469 2.169 20 30 FEEDLO CCN(CCC#N)C(=O)C[N@H+]1CCC[C@H]1C(=O)Nc1cc(C)ccc1OC ZINC000117892022 543641147 /nfs/dbraw/zinc/64/11/47/543641147.db2.gz BWQXNTAZFSYODN-KRWDZBQOSA-N 1 2 372.469 2.169 20 30 FEEDLO CCN(C1CC[NH+](CC#Cc2cccc(Cl)c2)CC1)S(C)(=O)=O ZINC000121258316 543691705 /nfs/dbraw/zinc/69/17/05/543691705.db2.gz MKKGIKQCJNJYGG-UHFFFAOYSA-N 1 2 354.903 2.437 20 30 FEEDLO C=CC[N@@H+](CC(=O)Nc1cc(-n2cnnn2)ccc1F)Cc1cccs1 ZINC000121317371 543692181 /nfs/dbraw/zinc/69/21/81/543692181.db2.gz LWPKCKMBJJLBBN-UHFFFAOYSA-N 1 2 372.429 2.490 20 30 FEEDLO C=CC[N@H+](CC(=O)Nc1cc(-n2cnnn2)ccc1F)Cc1cccs1 ZINC000121317371 543692184 /nfs/dbraw/zinc/69/21/84/543692184.db2.gz LWPKCKMBJJLBBN-UHFFFAOYSA-N 1 2 372.429 2.490 20 30 FEEDLO C=CCCS(=O)(=O)N(Cc1ccccc1)[C@H](C)C[NH+]1CCOCC1 ZINC000120312210 543678314 /nfs/dbraw/zinc/67/83/14/543678314.db2.gz DKQBQWZEGSSUFW-QGZVFWFLSA-N 1 2 352.500 2.115 20 30 FEEDLO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCNC(=O)[C@@H]1c1ccccc1 ZINC000125345041 543876634 /nfs/dbraw/zinc/87/66/34/543876634.db2.gz PYMZLXKTKKBXHF-FPOVZHCZSA-N 1 2 366.461 2.328 20 30 FEEDLO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCNC(=O)[C@@H]1c1ccccc1 ZINC000125345041 543876637 /nfs/dbraw/zinc/87/66/37/543876637.db2.gz PYMZLXKTKKBXHF-FPOVZHCZSA-N 1 2 366.461 2.328 20 30 FEEDLO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000126138632 543920452 /nfs/dbraw/zinc/92/04/52/543920452.db2.gz JEUBICOLXXBKCH-SCLBCKFNSA-N 1 2 367.453 2.102 20 30 FEEDLO C[N@@H+]1CCO[C@@H]([C@H](NC(=O)c2ccc(C#N)nc2)c2ccc(Cl)cc2)C1 ZINC000126985517 543967186 /nfs/dbraw/zinc/96/71/86/543967186.db2.gz KRSIGUSURDRTMU-QZTJIDSGSA-N 1 2 370.840 2.408 20 30 FEEDLO C[N@H+]1CCO[C@@H]([C@H](NC(=O)c2ccc(C#N)nc2)c2ccc(Cl)cc2)C1 ZINC000126985517 543967189 /nfs/dbraw/zinc/96/71/89/543967189.db2.gz KRSIGUSURDRTMU-QZTJIDSGSA-N 1 2 370.840 2.408 20 30 FEEDLO CC(C)NC(=O)C[NH+]1CCN(c2cc(C#N)ccc2C(F)(F)F)CC1 ZINC000127561256 544001074 /nfs/dbraw/zinc/00/10/74/544001074.db2.gz PQQYJSNGVBYJEO-UHFFFAOYSA-N 1 2 354.376 2.224 20 30 FEEDLO Cc1ccccc1-c1nc(CN(CCC#N)CC[NH+]2CCOCC2)no1 ZINC000131522415 544193890 /nfs/dbraw/zinc/19/38/90/544193890.db2.gz FRUYDYUKZQRJLP-UHFFFAOYSA-N 1 2 355.442 2.093 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)c(F)c1 ZINC000151014671 544496476 /nfs/dbraw/zinc/49/64/76/544496476.db2.gz GOLWMIDPGDLKOB-HNNXBMFYSA-N 1 2 363.414 2.406 20 30 FEEDLO CCC[C@H]1C(=O)NCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000152355785 544642699 /nfs/dbraw/zinc/64/26/99/544642699.db2.gz TYUGVWPKEOJDTJ-HNNXBMFYSA-N 1 2 374.510 2.428 20 30 FEEDLO CCC[C@H]1C(=O)NCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000152355785 544642702 /nfs/dbraw/zinc/64/27/02/544642702.db2.gz TYUGVWPKEOJDTJ-HNNXBMFYSA-N 1 2 374.510 2.428 20 30 FEEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CCCC[C@H]2CO)c1C#N ZINC000153119850 544735640 /nfs/dbraw/zinc/73/56/40/544735640.db2.gz VOPSYDNBPMBFDO-INIZCTEOSA-N 1 2 370.453 2.403 20 30 FEEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CCCC[C@H]2CO)c1C#N ZINC000153119850 544735641 /nfs/dbraw/zinc/73/56/41/544735641.db2.gz VOPSYDNBPMBFDO-INIZCTEOSA-N 1 2 370.453 2.403 20 30 FEEDLO C[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCCCC#N)[C@@H]1c1ccc(Cl)cc1 ZINC000553268924 674249749 /nfs/dbraw/zinc/24/97/49/674249749.db2.gz GCWCTWTUKSRWGI-CVEARBPZSA-N 1 2 362.861 2.011 20 30 FEEDLO C[N@H+]1CC[C@@H](NC(=O)C(=O)NCCCCC#N)[C@@H]1c1ccc(Cl)cc1 ZINC000553268924 674249750 /nfs/dbraw/zinc/24/97/50/674249750.db2.gz GCWCTWTUKSRWGI-CVEARBPZSA-N 1 2 362.861 2.011 20 30 FEEDLO N#Cc1ccc2[nH+]cc(CN3CCN(C(=O)NC4CCCCC4)CC3)n2c1 ZINC000180016672 327668003 /nfs/dbraw/zinc/66/80/03/327668003.db2.gz HCABCTYHEYBIFR-UHFFFAOYSA-N 1 2 366.469 2.366 20 30 FEEDLO C[C@H](CNC(=O)c1ccc(C#N)c(O)c1)[NH+]1CCN(c2ccccc2)CC1 ZINC000190533130 328214598 /nfs/dbraw/zinc/21/45/98/328214598.db2.gz DAXRMAAHZQLEJX-MRXNPFEDSA-N 1 2 364.449 2.204 20 30 FEEDLO C[C@H](C(=O)Nc1cccc(F)c1)N1CC[NH+](Cc2cc(C#N)n(C)c2)CC1 ZINC000191249691 328256500 /nfs/dbraw/zinc/25/65/00/328256500.db2.gz KIEHFRJTZWRFBD-OAHLLOKOSA-N 1 2 369.444 2.181 20 30 FEEDLO Cn1cc(CN2CC[NH+](Cc3cnn(-c4ccccc4)c3)CC2)cc1C#N ZINC000191339283 328261028 /nfs/dbraw/zinc/26/10/28/328261028.db2.gz LJQBWQOEVGBBPC-UHFFFAOYSA-N 1 2 360.465 2.400 20 30 FEEDLO Cn1cc(C[NH+]2CCN(Cc3cnn(-c4ccccc4)c3)CC2)cc1C#N ZINC000191339283 328261030 /nfs/dbraw/zinc/26/10/30/328261030.db2.gz LJQBWQOEVGBBPC-UHFFFAOYSA-N 1 2 360.465 2.400 20 30 FEEDLO C[C@@H]1C[C@@H](C)CN(C(=O)C[NH+]2CCN(Cc3ccc(C#N)c(F)c3)CC2)C1 ZINC000191918111 328288705 /nfs/dbraw/zinc/28/87/05/328288705.db2.gz OCHGSSCPPLJARZ-IAGOWNOFSA-N 1 2 372.488 2.319 20 30 FEEDLO CC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000027106601 324431052 /nfs/dbraw/zinc/43/10/52/324431052.db2.gz KPEYOWUDEQZJBR-UONOGXRCSA-N 1 2 371.441 2.231 20 30 FEEDLO N#Cc1ccc(OCC(=O)N2CC[NH+](Cc3ccsc3)CC2)cc1F ZINC000066749082 324885852 /nfs/dbraw/zinc/88/58/52/324885852.db2.gz RLXZUWCXKHZJEN-UHFFFAOYSA-N 1 2 359.426 2.482 20 30 FEEDLO Cn1ncc2c1nc[nH+]c2S[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000083091796 325213430 /nfs/dbraw/zinc/21/34/30/325213430.db2.gz DYPJRTQGISWLEF-LLVKDONJSA-N 1 2 356.436 2.194 20 30 FEEDLO COc1ccc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@H]2C)c(OC)c1 ZINC000091936465 325398874 /nfs/dbraw/zinc/39/88/74/325398874.db2.gz VYJKPELXQFBODA-CQSZACIVSA-N 1 2 353.426 2.076 20 30 FEEDLO COc1ccc(C[N@H+]2CCN(c3nccnc3C#N)C[C@H]2C)c(OC)c1 ZINC000091936465 325398876 /nfs/dbraw/zinc/39/88/76/325398876.db2.gz VYJKPELXQFBODA-CQSZACIVSA-N 1 2 353.426 2.076 20 30 FEEDLO COc1ccc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)cc1OC ZINC000091936786 325398914 /nfs/dbraw/zinc/39/89/14/325398914.db2.gz LVTRJZOLFQMUAI-AWEZNQCLSA-N 1 2 353.426 2.076 20 30 FEEDLO COc1ccc(C[N@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)cc1OC ZINC000091936786 325398917 /nfs/dbraw/zinc/39/89/17/325398917.db2.gz LVTRJZOLFQMUAI-AWEZNQCLSA-N 1 2 353.426 2.076 20 30 FEEDLO N#Cc1ccccc1N1CC[NH+](CC(=O)N2CCC(c3ccccc3)=N2)CC1 ZINC000101554800 325471608 /nfs/dbraw/zinc/47/16/08/325471608.db2.gz NBVHPNLQVFBMGM-UHFFFAOYSA-N 1 2 373.460 2.317 20 30 FEEDLO C[C@@H](c1nc(-c2ccccc2)no1)[NH+]1CCN(c2cnc(C#N)cn2)CC1 ZINC000121405945 326336358 /nfs/dbraw/zinc/33/63/58/326336358.db2.gz VBRRMKSSSLXANQ-AWEZNQCLSA-N 1 2 361.409 2.281 20 30 FEEDLO N#Cc1ccsc1N1CC[C@H]([NH+]2CCC([C@H](O)C(F)(F)F)CC2)C1=O ZINC000141104430 326664669 /nfs/dbraw/zinc/66/46/69/326664669.db2.gz LIEFVPBXTYFTOO-STQMWFEESA-N 1 2 373.400 2.360 20 30 FEEDLO N#Cc1cc(F)ccc1S(=O)(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000156335649 326827074 /nfs/dbraw/zinc/82/70/74/326827074.db2.gz JPPFCKCWJDTOPX-UHFFFAOYSA-N 1 2 360.414 2.171 20 30 FEEDLO N#Cc1cc(Cl)ccc1S(=O)(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000159308760 326926657 /nfs/dbraw/zinc/92/66/57/326926657.db2.gz DZPWGJWQOXVKRW-CQSZACIVSA-N 1 2 362.842 2.164 20 30 FEEDLO N#Cc1cc(Cl)ccc1S(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000172964759 327227318 /nfs/dbraw/zinc/22/73/18/327227318.db2.gz NTGQEJSRTCBNOI-UHFFFAOYSA-N 1 2 362.842 2.118 20 30 FEEDLO N#Cc1ccc(OCCNC(=O)NCc2ccc(N3CCCC3)[nH+]c2)cc1 ZINC000174883281 327357704 /nfs/dbraw/zinc/35/77/04/327357704.db2.gz ZDWFNOXPNWZOJY-UHFFFAOYSA-N 1 2 365.437 2.432 20 30 FEEDLO COc1ccccc1[C@H]1C[NH2+]CCN1S(=O)(=O)Cc1cccc(C#N)c1 ZINC000261824145 328822533 /nfs/dbraw/zinc/82/25/33/328822533.db2.gz YCAYJPBKGBRVSY-GOSISDBHSA-N 1 2 371.462 2.043 20 30 FEEDLO N#Cc1cc(F)c(S(=O)(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c(F)c1 ZINC000268179473 329393844 /nfs/dbraw/zinc/39/38/44/329393844.db2.gz NLBWCIIBOGCOGQ-UHFFFAOYSA-N 1 2 352.366 2.128 20 30 FEEDLO C[C@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CCOCC1 ZINC000268581548 329436520 /nfs/dbraw/zinc/43/65/20/329436520.db2.gz RZGHUSMKHUOOJO-INIZCTEOSA-N 1 2 356.470 2.201 20 30 FEEDLO COc1cc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)ccc1O ZINC000276032634 330113231 /nfs/dbraw/zinc/11/32/31/330113231.db2.gz MBLCVBNTSDHEFD-UHFFFAOYSA-N 1 2 351.406 2.230 20 30 FEEDLO Cc1nc(C[N@@H+](C)[C@H]2CCCN(C(=O)NCCn3cccc3)CC2)no1 ZINC000328625163 526846481 /nfs/dbraw/zinc/84/64/81/526846481.db2.gz CVEFRNZPGLJOCL-INIZCTEOSA-N 1 2 360.462 2.080 20 30 FEEDLO Cc1nc(C[N@H+](C)[C@H]2CCCN(C(=O)NCCn3cccc3)CC2)no1 ZINC000328625163 526846485 /nfs/dbraw/zinc/84/64/85/526846485.db2.gz CVEFRNZPGLJOCL-INIZCTEOSA-N 1 2 360.462 2.080 20 30 FEEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCCN(CC(F)(F)F)CC1 ZINC000155892880 545580820 /nfs/dbraw/zinc/58/08/20/545580820.db2.gz YEGDIIDCZXTXRL-CQSZACIVSA-N 1 2 360.424 2.288 20 30 FEEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCCN(CC(F)(F)F)CC1 ZINC000155892880 545580823 /nfs/dbraw/zinc/58/08/23/545580823.db2.gz YEGDIIDCZXTXRL-CQSZACIVSA-N 1 2 360.424 2.288 20 30 FEEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCO[C@@H](COCC)C1 ZINC000528724695 562343977 /nfs/dbraw/zinc/34/39/77/562343977.db2.gz USZJGMVICTUYDC-JKSUJKDBSA-N 1 2 352.500 2.389 20 30 FEEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCO[C@@H](COCC)C1 ZINC000528724695 562343978 /nfs/dbraw/zinc/34/39/78/562343978.db2.gz USZJGMVICTUYDC-JKSUJKDBSA-N 1 2 352.500 2.389 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1ccc(OCC2CC2)cc1 ZINC000478253620 561163073 /nfs/dbraw/zinc/16/30/73/561163073.db2.gz RJDWIAXBUKHPIS-UHFFFAOYSA-N 1 2 357.454 2.163 20 30 FEEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000159198496 545930883 /nfs/dbraw/zinc/93/08/83/545930883.db2.gz GQXIIRJYHWWPIK-IRXDYDNUSA-N 1 2 372.421 2.363 20 30 FEEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000159198496 545930888 /nfs/dbraw/zinc/93/08/88/545930888.db2.gz GQXIIRJYHWWPIK-IRXDYDNUSA-N 1 2 372.421 2.363 20 30 FEEDLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(CC(=O)N[C@@](C)(C#N)C2CC2)CC1 ZINC000159482559 545957514 /nfs/dbraw/zinc/95/75/14/545957514.db2.gz KNKGPGBBFJBTEQ-YWZLYKJASA-N 1 2 358.461 2.313 20 30 FEEDLO CC[NH+](CC)Cc1nc(C2(NC(=O)c3ccc(C#N)[nH]3)CCCC2)no1 ZINC000161103715 546100664 /nfs/dbraw/zinc/10/06/64/546100664.db2.gz RNOGKBKFLHOVTH-UHFFFAOYSA-N 1 2 356.430 2.310 20 30 FEEDLO N#Cc1ccc(F)c(CS(=O)(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000164465120 546151238 /nfs/dbraw/zinc/15/12/38/546151238.db2.gz PQZYFZRKJNCDGH-MRXNPFEDSA-N 1 2 361.398 2.075 20 30 FEEDLO CC(C)CC[N@H+](CCC#N)CC(=O)N1CCC(C(=O)N2CCCC2)CC1 ZINC000173548701 546282962 /nfs/dbraw/zinc/28/29/62/546282962.db2.gz DWTWLJQEAJKAGK-UHFFFAOYSA-N 1 2 362.518 2.109 20 30 FEEDLO CC(C)CC[N@@H+](CCC#N)CC(=O)N1CCC(C(=O)N2CCCC2)CC1 ZINC000173548701 546282966 /nfs/dbraw/zinc/28/29/66/546282966.db2.gz DWTWLJQEAJKAGK-UHFFFAOYSA-N 1 2 362.518 2.109 20 30 FEEDLO COc1cc2c(cc1OC)CN(C(=O)C[N@H+](CCC#N)CC1CC1)CC2 ZINC000174698318 546302566 /nfs/dbraw/zinc/30/25/66/546302566.db2.gz NBGDXSMAHOEQBO-UHFFFAOYSA-N 1 2 357.454 2.214 20 30 FEEDLO COc1cc2c(cc1OC)CN(C(=O)C[N@@H+](CCC#N)CC1CC1)CC2 ZINC000174698318 546302567 /nfs/dbraw/zinc/30/25/67/546302567.db2.gz NBGDXSMAHOEQBO-UHFFFAOYSA-N 1 2 357.454 2.214 20 30 FEEDLO Cc1ccc([C@@H](CNC(=O)N2CCC(C#N)CC2)[NH+]2CCOCC2)s1 ZINC000175025202 546305774 /nfs/dbraw/zinc/30/57/74/546305774.db2.gz XYTUNVOFOYRZKY-MRXNPFEDSA-N 1 2 362.499 2.375 20 30 FEEDLO CO[C@@]1(C)C[C@H]([N@H+](C)CCS(=O)(=O)c2ccc(C#N)cc2)C1(C)C ZINC000176286976 546427648 /nfs/dbraw/zinc/42/76/48/546427648.db2.gz WVQIZMSNXKMZLA-WMZOPIPTSA-N 1 2 350.484 2.467 20 30 FEEDLO CO[C@@]1(C)C[C@H]([N@@H+](C)CCS(=O)(=O)c2ccc(C#N)cc2)C1(C)C ZINC000176286976 546427651 /nfs/dbraw/zinc/42/76/51/546427651.db2.gz WVQIZMSNXKMZLA-WMZOPIPTSA-N 1 2 350.484 2.467 20 30 FEEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cc(F)cc2c1OCOC2 ZINC000176374534 546437805 /nfs/dbraw/zinc/43/78/05/546437805.db2.gz NVGXMAPAZHHESL-ZDUSSCGKSA-N 1 2 369.400 2.065 20 30 FEEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cc(F)cc2c1OCOC2 ZINC000176374534 546437810 /nfs/dbraw/zinc/43/78/10/546437810.db2.gz NVGXMAPAZHHESL-ZDUSSCGKSA-N 1 2 369.400 2.065 20 30 FEEDLO Cc1sc(NC(=O)C[NH2+][C@](C)(C(N)=O)c2ccccc2)c(C#N)c1C ZINC000177086617 546542171 /nfs/dbraw/zinc/54/21/71/546542171.db2.gz ZZDTWBCGUITUSL-SFHVURJKSA-N 1 2 356.451 2.165 20 30 FEEDLO Cc1sc(NC(=O)C[N@@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)c(C#N)c1C ZINC000177257913 546580924 /nfs/dbraw/zinc/58/09/24/546580924.db2.gz YEEMWXHCQMMFCI-OAHLLOKOSA-N 1 2 374.510 2.413 20 30 FEEDLO Cc1sc(NC(=O)C[N@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)c(C#N)c1C ZINC000177257913 546580928 /nfs/dbraw/zinc/58/09/28/546580928.db2.gz YEEMWXHCQMMFCI-OAHLLOKOSA-N 1 2 374.510 2.413 20 30 FEEDLO CC(C)(C#N)c1ccc(NC(=O)C(=O)N2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000177434681 546618145 /nfs/dbraw/zinc/61/81/45/546618145.db2.gz FKEPZTRNXNTDBJ-UHFFFAOYSA-N 1 2 365.437 2.486 20 30 FEEDLO CCCCCNC(=O)[C@@H](C)O[NH+]=C(N)c1ccc(N2CCCCC2)nc1 ZINC000178149630 546747394 /nfs/dbraw/zinc/74/73/94/546747394.db2.gz ARXGQLUKDJTAIU-OAHLLOKOSA-N 1 2 361.490 2.404 20 30 FEEDLO N#Cc1ccc(OC[C@@H](O)CN2CC[NH+](Cc3cccc(F)c3)CC2)cc1 ZINC000178448410 546796183 /nfs/dbraw/zinc/79/61/83/546796183.db2.gz DROIRYOYAAEOOB-FQEVSTJZSA-N 1 2 369.440 2.255 20 30 FEEDLO Cc1c(C#N)cccc1NC(=O)C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000178525284 546807623 /nfs/dbraw/zinc/80/76/23/546807623.db2.gz YNAFNRKEUMMIMO-CXAGYDPISA-N 1 2 351.410 2.111 20 30 FEEDLO N#Cc1ccccc1CSCCNc1[nH+]cnc(-n2cccn2)c1N ZINC000178599053 546818021 /nfs/dbraw/zinc/81/80/21/546818021.db2.gz NLWNGGVYNUGDNL-UHFFFAOYSA-N 1 2 351.439 2.461 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1cnc2ccc(F)cc2c1 ZINC000179228791 546917953 /nfs/dbraw/zinc/91/79/53/546917953.db2.gz MQLGKHXEYKBFKG-UHFFFAOYSA-N 1 2 356.401 2.062 20 30 FEEDLO C=CC[N@@H+](Cc1ccc(C(=O)OC(C)C)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000179236544 546918602 /nfs/dbraw/zinc/91/86/02/546918602.db2.gz SOLXYHDUNPWJKL-KRWDZBQOSA-N 1 2 351.468 2.427 20 30 FEEDLO C=CC[N@H+](Cc1ccc(C(=O)OC(C)C)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000179236544 546918605 /nfs/dbraw/zinc/91/86/05/546918605.db2.gz SOLXYHDUNPWJKL-KRWDZBQOSA-N 1 2 351.468 2.427 20 30 FEEDLO C[NH+](C)Cc1ccc(NS(=O)(=O)c2ccc(C#N)nc2)cc1Cl ZINC000481860248 561244185 /nfs/dbraw/zinc/24/41/85/561244185.db2.gz HBWAHXPWPBMVRB-UHFFFAOYSA-N 1 2 350.831 2.469 20 30 FEEDLO C=CCCOCCNC(=O)C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000179488058 546964554 /nfs/dbraw/zinc/96/45/54/546964554.db2.gz PDTWGQAQQQXAAS-UHFFFAOYSA-N 1 2 370.453 2.410 20 30 FEEDLO CCOCCN1CC[NH+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000179915796 547027857 /nfs/dbraw/zinc/02/78/57/547027857.db2.gz ZDXTVCZZMOYJRP-UHFFFAOYSA-N 1 2 353.470 2.113 20 30 FEEDLO C=CCCC[C@@H](C)NC(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000181381181 547304515 /nfs/dbraw/zinc/30/45/15/547304515.db2.gz ZRWYWZLEKNHVOF-SJORKVTESA-N 1 2 350.507 2.069 20 30 FEEDLO C[C@H]([NH2+]CC(=O)N(CCC#N)CCC#N)c1nc(-c2cccc(F)c2)no1 ZINC000185096969 547932773 /nfs/dbraw/zinc/93/27/73/547932773.db2.gz AJXADLRDHPPZDB-ZDUSSCGKSA-N 1 2 370.388 2.182 20 30 FEEDLO C[C@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1nc(C(C)(C)C)no1 ZINC000185164043 547944162 /nfs/dbraw/zinc/94/41/62/547944162.db2.gz RYLNCDGGPCVCER-LBPRGKRZSA-N 1 2 362.455 2.363 20 30 FEEDLO C[C@]1(C(N)=O)CCCC[N@@H+]1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000185932653 548060405 /nfs/dbraw/zinc/06/04/05/548060405.db2.gz RYELLUVXDXMZPM-GOSISDBHSA-N 1 2 362.861 2.317 20 30 FEEDLO C[C@]1(C(N)=O)CCCC[N@H+]1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000185932653 548060410 /nfs/dbraw/zinc/06/04/10/548060410.db2.gz RYELLUVXDXMZPM-GOSISDBHSA-N 1 2 362.861 2.317 20 30 FEEDLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)N(C)[C@H](C)CC#N)CC1 ZINC000186869803 548208602 /nfs/dbraw/zinc/20/86/02/548208602.db2.gz IRSKZQIQVBTPDD-OAHLLOKOSA-N 1 2 357.458 2.117 20 30 FEEDLO C=C[C@](C)(CC)C(=O)N1CC[NH+](CCNC(=O)c2ccc(OC)cc2)CC1 ZINC000188367661 548278070 /nfs/dbraw/zinc/27/80/70/548278070.db2.gz DPHVBMKSEVPADW-OAQYLSRUSA-N 1 2 373.497 2.172 20 30 FEEDLO CCN(C[C@H](C)C#N)C(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000189123007 548295461 /nfs/dbraw/zinc/29/54/61/548295461.db2.gz PWCFYRYIVDZVNT-GFCCVEGCSA-N 1 2 353.426 2.397 20 30 FEEDLO CC1CCC(NC(=O)C[NH+]2CCN(CC#Cc3ccccc3)CC2)CC1 ZINC000192099595 548358558 /nfs/dbraw/zinc/35/85/58/548358558.db2.gz ZNKJLRQQIBYDLD-UHFFFAOYSA-N 1 2 353.510 2.351 20 30 FEEDLO CC1CCC(NC(=O)CN2CC[NH+](CC#Cc3ccccc3)CC2)CC1 ZINC000192099595 548358564 /nfs/dbraw/zinc/35/85/64/548358564.db2.gz ZNKJLRQQIBYDLD-UHFFFAOYSA-N 1 2 353.510 2.351 20 30 FEEDLO CC(C)OC(=O)[C@@H]1CCC[N@@H+]1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192677848 548370667 /nfs/dbraw/zinc/37/06/67/548370667.db2.gz JYXKHDCOSATTPP-ROUUACIJSA-N 1 2 355.438 2.470 20 30 FEEDLO CC(C)OC(=O)[C@@H]1CCC[N@H+]1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192677848 548370672 /nfs/dbraw/zinc/37/06/72/548370672.db2.gz JYXKHDCOSATTPP-ROUUACIJSA-N 1 2 355.438 2.470 20 30 FEEDLO Cc1oc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2nnc3ccccn32)c(C#N)c1C ZINC000193323690 548385371 /nfs/dbraw/zinc/38/53/71/548385371.db2.gz DIWMVBFNUZGTOH-VXGBXAGGSA-N 1 2 352.398 2.489 20 30 FEEDLO COc1cc(OC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)ccc1C#N ZINC000195177756 548591536 /nfs/dbraw/zinc/59/15/36/548591536.db2.gz FGVJHTWYGILAKL-IBGZPJMESA-N 1 2 352.390 2.373 20 30 FEEDLO COc1cc(OC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)ccc1C#N ZINC000195177756 548591544 /nfs/dbraw/zinc/59/15/44/548591544.db2.gz FGVJHTWYGILAKL-IBGZPJMESA-N 1 2 352.390 2.373 20 30 FEEDLO C[C@@H]1C[N@@H+](CCN(C)[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@H](C)O1 ZINC000195327221 548623507 /nfs/dbraw/zinc/62/35/07/548623507.db2.gz DHKKKNNZJHNAIH-QKLQHJQFSA-N 1 2 370.497 2.095 20 30 FEEDLO C[C@@H]1C[N@H+](CCN(C)[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@H](C)O1 ZINC000195327221 548623510 /nfs/dbraw/zinc/62/35/10/548623510.db2.gz DHKKKNNZJHNAIH-QKLQHJQFSA-N 1 2 370.497 2.095 20 30 FEEDLO CO[C@@H]1C[NH+](CC(=O)Nc2ccccc2S[C@H](C)CC#N)C[C@H]1OC ZINC000488090921 561383366 /nfs/dbraw/zinc/38/33/66/561383366.db2.gz LNZKQHGMGUYPJK-FVQBIDKESA-N 1 2 363.483 2.365 20 30 FEEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000246162446 549066388 /nfs/dbraw/zinc/06/63/88/549066388.db2.gz ISVFJCBSFDQQCJ-FYAIKVRKSA-N 1 2 361.408 2.305 20 30 FEEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000246162446 549066391 /nfs/dbraw/zinc/06/63/91/549066391.db2.gz ISVFJCBSFDQQCJ-FYAIKVRKSA-N 1 2 361.408 2.305 20 30 FEEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000246228478 549084915 /nfs/dbraw/zinc/08/49/15/549084915.db2.gz CAURIPBMMCPHKF-LPHOPBHVSA-N 1 2 356.470 2.072 20 30 FEEDLO CC[N@H+](CC(=O)Nc1ccccc1OC)[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000488527026 561391341 /nfs/dbraw/zinc/39/13/41/561391341.db2.gz HWDBYHOBZKPWOX-MGPUTAFESA-N 1 2 374.485 2.399 20 30 FEEDLO CC[N@@H+](CC(=O)Nc1ccccc1OC)[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000488527026 561391342 /nfs/dbraw/zinc/39/13/42/561391342.db2.gz HWDBYHOBZKPWOX-MGPUTAFESA-N 1 2 374.485 2.399 20 30 FEEDLO Cc1oc(NC(=O)[C@@H](C)N2CCCC[C@H]2C[NH+]2CCOCC2)c(C#N)c1C ZINC000246729361 549198108 /nfs/dbraw/zinc/19/81/08/549198108.db2.gz VTZBAIJYLIKTIH-WBVHZDCISA-N 1 2 374.485 2.282 20 30 FEEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCCC[C@H]2CN2CCOCC2)c(C#N)c1C ZINC000246729361 549198112 /nfs/dbraw/zinc/19/81/12/549198112.db2.gz VTZBAIJYLIKTIH-WBVHZDCISA-N 1 2 374.485 2.282 20 30 FEEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCCC[C@H]2CN2CCOCC2)c(C#N)c1C ZINC000246729361 549198118 /nfs/dbraw/zinc/19/81/18/549198118.db2.gz VTZBAIJYLIKTIH-WBVHZDCISA-N 1 2 374.485 2.282 20 30 FEEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCNC(=O)[C@H]1c1ccccc1 ZINC000246868872 549231116 /nfs/dbraw/zinc/23/11/16/549231116.db2.gz PYMZLXKTKKBXHF-TZIWHRDSSA-N 1 2 366.461 2.328 20 30 FEEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCNC(=O)[C@H]1c1ccccc1 ZINC000246868872 549231121 /nfs/dbraw/zinc/23/11/21/549231121.db2.gz PYMZLXKTKKBXHF-TZIWHRDSSA-N 1 2 366.461 2.328 20 30 FEEDLO C[N@@H+]1CCO[C@H]([C@@H](NC(=O)c2cc(C#N)c[nH]2)c2ccc(Cl)cc2)C1 ZINC000246964092 549253406 /nfs/dbraw/zinc/25/34/06/549253406.db2.gz IGEKOYFOCSOSQK-IRXDYDNUSA-N 1 2 358.829 2.341 20 30 FEEDLO C[N@H+]1CCO[C@H]([C@@H](NC(=O)c2cc(C#N)c[nH]2)c2ccc(Cl)cc2)C1 ZINC000246964092 549253411 /nfs/dbraw/zinc/25/34/11/549253411.db2.gz IGEKOYFOCSOSQK-IRXDYDNUSA-N 1 2 358.829 2.341 20 30 FEEDLO C=CCNc1ncc(C(=O)N2CCC[C@@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000247673143 549371573 /nfs/dbraw/zinc/37/15/73/549371573.db2.gz YUPSTXQJOMZUDR-QLFBSQMISA-N 1 2 364.515 2.455 20 30 FEEDLO C=CCNc1ncc(C(=O)N2CCC[C@@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000247673143 549371577 /nfs/dbraw/zinc/37/15/77/549371577.db2.gz YUPSTXQJOMZUDR-QLFBSQMISA-N 1 2 364.515 2.455 20 30 FEEDLO C[C@@H]1CN(C[C@H]2CCC[N@@H+]2CC(=O)Nc2ccc(C#N)cc2)C[C@@H](C)O1 ZINC000249819313 549631281 /nfs/dbraw/zinc/63/12/81/549631281.db2.gz MONONSRNRZBOBT-GPMSIDNRSA-N 1 2 356.470 2.070 20 30 FEEDLO C[C@@H]1CN(C[C@H]2CCC[N@H+]2CC(=O)Nc2ccc(C#N)cc2)C[C@@H](C)O1 ZINC000249819313 549631284 /nfs/dbraw/zinc/63/12/84/549631284.db2.gz MONONSRNRZBOBT-GPMSIDNRSA-N 1 2 356.470 2.070 20 30 FEEDLO COC[C@@H]1C[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C[C@@H](C)O1 ZINC000251997883 549660708 /nfs/dbraw/zinc/66/07/08/549660708.db2.gz WJDMENANZROOQN-RKVPGOIHSA-N 1 2 363.433 2.197 20 30 FEEDLO COC[C@@H]1C[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C[C@@H](C)O1 ZINC000251997883 549660714 /nfs/dbraw/zinc/66/07/14/549660714.db2.gz WJDMENANZROOQN-RKVPGOIHSA-N 1 2 363.433 2.197 20 30 FEEDLO CCc1ccc([C@H](C#N)NC(=O)c2ccc(C[NH+]3CCOCC3)cn2)cc1 ZINC000489965399 561423477 /nfs/dbraw/zinc/42/34/77/561423477.db2.gz UQTGOUKOJUFTPP-FQEVSTJZSA-N 1 2 364.449 2.471 20 30 FEEDLO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CC[S@](=O)[C@@H](C)[C@@H]2C)c(OC)c1 ZINC000265652218 550012783 /nfs/dbraw/zinc/01/27/83/550012783.db2.gz VMBATPHOGIDTQR-SWYICZCVSA-N 1 2 367.511 2.005 20 30 FEEDLO C=CCc1ccc(OC[C@H](O)C[N@H+]2CC[S@](=O)[C@@H](C)[C@@H]2C)c(OC)c1 ZINC000265652218 550012785 /nfs/dbraw/zinc/01/27/85/550012785.db2.gz VMBATPHOGIDTQR-SWYICZCVSA-N 1 2 367.511 2.005 20 30 FEEDLO CC(C)CC[N@H+](CCC#N)CC(=O)N(CCC(N)=O)Cc1ccccc1 ZINC000266779478 550024112 /nfs/dbraw/zinc/02/41/12/550024112.db2.gz ZJBMMIBAKPCGDC-UHFFFAOYSA-N 1 2 358.486 2.152 20 30 FEEDLO CC(C)CC[N@@H+](CCC#N)CC(=O)N(CCC(N)=O)Cc1ccccc1 ZINC000266779478 550024114 /nfs/dbraw/zinc/02/41/14/550024114.db2.gz ZJBMMIBAKPCGDC-UHFFFAOYSA-N 1 2 358.486 2.152 20 30 FEEDLO C#CC[C@@H](NC(=O)N1CC[C@@H]([NH+]2CCN(CC)CC2)C1)c1ccccc1 ZINC000270375329 550266867 /nfs/dbraw/zinc/26/68/67/550266867.db2.gz UVDIYLTVVFDEDH-WOJBJXKFSA-N 1 2 354.498 2.172 20 30 FEEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H](N3CCCC3=O)C2)c1C ZINC000270999574 550330443 /nfs/dbraw/zinc/33/04/43/550330443.db2.gz YSBUPSPLOCXZDY-GOSISDBHSA-N 1 2 368.481 2.247 20 30 FEEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CC[C@@H](N3CCCC3=O)C2)c1C ZINC000270999574 550330445 /nfs/dbraw/zinc/33/04/45/550330445.db2.gz YSBUPSPLOCXZDY-GOSISDBHSA-N 1 2 368.481 2.247 20 30 FEEDLO C=CCN(CCc1ccco1)C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000272408843 550444936 /nfs/dbraw/zinc/44/49/36/550444936.db2.gz FBCMELGBNSHLGW-UHFFFAOYSA-N 1 2 370.453 2.452 20 30 FEEDLO CC1(C#N)CC[NH+](CC(=O)NC(=O)Nc2ccc3c(c2)OCCCO3)CC1 ZINC000272546755 550457482 /nfs/dbraw/zinc/45/74/82/550457482.db2.gz KFLOLBUSGISFHL-UHFFFAOYSA-N 1 2 372.425 2.122 20 30 FEEDLO C#CCC[NH+]1CCN(Cc2nnc(C(=O)Nc3ccc(C)cc3)s2)CC1 ZINC000272558978 550457919 /nfs/dbraw/zinc/45/79/19/550457919.db2.gz IFRXKNYYOZGFIE-UHFFFAOYSA-N 1 2 369.494 2.240 20 30 FEEDLO Cc1[nH]c(=O)c(C#N)c(C)c1CCc1nc([C@@H]2C[N@H+](C(C)C)CCO2)no1 ZINC000272643356 550462585 /nfs/dbraw/zinc/46/25/85/550462585.db2.gz LWJIHWIFHGHKHJ-INIZCTEOSA-N 1 2 371.441 2.226 20 30 FEEDLO Cc1[nH]c(=O)c(C#N)c(C)c1CCc1nc([C@@H]2C[N@@H+](C(C)C)CCO2)no1 ZINC000272643356 550462587 /nfs/dbraw/zinc/46/25/87/550462587.db2.gz LWJIHWIFHGHKHJ-INIZCTEOSA-N 1 2 371.441 2.226 20 30 FEEDLO CC1(C#N)CCN(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000272674538 550464545 /nfs/dbraw/zinc/46/45/45/550464545.db2.gz QKNLJNCYYUHZOQ-GOSISDBHSA-N 1 2 356.470 2.223 20 30 FEEDLO CC1(C#N)CCN(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000272674538 550464547 /nfs/dbraw/zinc/46/45/47/550464547.db2.gz QKNLJNCYYUHZOQ-GOSISDBHSA-N 1 2 356.470 2.223 20 30 FEEDLO COc1ccccc1-c1noc([C@H](C)[NH2+]CC(=O)N[C@](C)(C#N)C(C)C)n1 ZINC000273425641 550498312 /nfs/dbraw/zinc/49/83/12/550498312.db2.gz WKJDUUXEFFMPTL-ORAYPTAESA-N 1 2 371.441 2.450 20 30 FEEDLO C=CC[C@@H](CO)NC(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000274184923 550526979 /nfs/dbraw/zinc/52/69/79/550526979.db2.gz KCWSIMQVWOGMQI-LBPRGKRZSA-N 1 2 367.247 2.141 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@H]3CCO[C@H](C4CC4)C3)CC2)cc1 ZINC000274237172 550529121 /nfs/dbraw/zinc/52/91/21/550529121.db2.gz ZNJWEHUGCUUJQI-PMACEKPBSA-N 1 2 368.481 2.343 20 30 FEEDLO CN(Cc1ccccc1)C(=O)N1CC[NH+](Cc2cc(C#N)n(C)c2)CC1 ZINC000276695756 550586376 /nfs/dbraw/zinc/58/63/76/550586376.db2.gz AFFPGGMOCSWCTK-UHFFFAOYSA-N 1 2 351.454 2.266 20 30 FEEDLO N#Cc1ccc(N2CC[C@H]([N@@H+]3CCC[C@H]([C@H](O)C(F)(F)F)C3)C2=O)cc1 ZINC000277637588 550695463 /nfs/dbraw/zinc/69/54/63/550695463.db2.gz BWVNGYUVYLOMGR-BPUTZDHNSA-N 1 2 367.371 2.299 20 30 FEEDLO N#Cc1ccc(N2CC[C@H]([N@H+]3CCC[C@H]([C@H](O)C(F)(F)F)C3)C2=O)cc1 ZINC000277637588 550695464 /nfs/dbraw/zinc/69/54/64/550695464.db2.gz BWVNGYUVYLOMGR-BPUTZDHNSA-N 1 2 367.371 2.299 20 30 FEEDLO Cc1oc(C#N)cc1C(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000280597490 551011834 /nfs/dbraw/zinc/01/18/34/551011834.db2.gz JBOIWSGVZRGGRW-QGZVFWFLSA-N 1 2 353.422 2.133 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000280750933 551028193 /nfs/dbraw/zinc/02/81/93/551028193.db2.gz SYHZPONVCAXMMI-YJBOKZPZSA-N 1 2 360.458 2.329 20 30 FEEDLO CCCOc1ccc(/C=[NH+]/C[C@@H]2CCn3ncc(C(N)=O)c3C2)c(O)c1 ZINC000280952209 551048912 /nfs/dbraw/zinc/04/89/12/551048912.db2.gz JUGYGCJUKZDHDC-SRRANQMSSA-N 1 2 356.426 2.158 20 30 FEEDLO CN(C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C)C(=O)C1(C#N)CCCCC1 ZINC000281195074 551072904 /nfs/dbraw/zinc/07/29/04/551072904.db2.gz LTIUCJLYVYAUPT-HOTGVXAUSA-N 1 2 361.465 2.265 20 30 FEEDLO COCC1(C#N)CCN(C(=O)N[C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)CC1 ZINC000496644839 561494948 /nfs/dbraw/zinc/49/49/48/561494948.db2.gz AHHFERFSMCMCJF-HNNXBMFYSA-N 1 2 373.501 2.457 20 30 FEEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)CC(=O)NCc1cccs1 ZINC000496999120 561496785 /nfs/dbraw/zinc/49/67/85/561496785.db2.gz FJVRMFFDKYBWNC-CQSZACIVSA-N 1 2 362.499 2.027 20 30 FEEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)CC(=O)NCc1cccs1 ZINC000496999120 561496786 /nfs/dbraw/zinc/49/67/86/561496786.db2.gz FJVRMFFDKYBWNC-CQSZACIVSA-N 1 2 362.499 2.027 20 30 FEEDLO CCCN1C(=O)CC[C@@H](C(=O)N(C)CC(C)(C)C#N)[C@@H]1c1c[nH+]cn1C ZINC000497229289 561497843 /nfs/dbraw/zinc/49/78/43/561497843.db2.gz NWKZLHNUSKCQOG-RHSMWYFYSA-N 1 2 359.474 2.118 20 30 FEEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)CC(=O)NCc1cccs1 ZINC000497355038 561499063 /nfs/dbraw/zinc/49/90/63/561499063.db2.gz QCSMUBYQKJVUIQ-CYBMUJFWSA-N 1 2 356.451 2.195 20 30 FEEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)CC(=O)NCc1cccs1 ZINC000497355038 561499064 /nfs/dbraw/zinc/49/90/64/561499064.db2.gz QCSMUBYQKJVUIQ-CYBMUJFWSA-N 1 2 356.451 2.195 20 30 FEEDLO CCN(Cc1ccccc1)C(=O)C[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000497490837 561501830 /nfs/dbraw/zinc/50/18/30/561501830.db2.gz MJZREDRKWUOFAV-UHFFFAOYSA-N 1 2 363.465 2.124 20 30 FEEDLO CC[N@H+](CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1)[C@H]1CCNC1=O ZINC000282395773 551222670 /nfs/dbraw/zinc/22/26/70/551222670.db2.gz PHRJAEJATIOUEA-INIZCTEOSA-N 1 2 362.861 2.106 20 30 FEEDLO CC[N@@H+](CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1)[C@H]1CCNC1=O ZINC000282395773 551222671 /nfs/dbraw/zinc/22/26/71/551222671.db2.gz PHRJAEJATIOUEA-INIZCTEOSA-N 1 2 362.861 2.106 20 30 FEEDLO Cc1nc(C#N)c(N2CCC(C(=O)N[C@H](c3[nH]cc[nH+]3)C(C)C)CC2)o1 ZINC000283065408 551306107 /nfs/dbraw/zinc/30/61/07/551306107.db2.gz REKKXOOZODXBFR-HNNXBMFYSA-N 1 2 356.430 2.308 20 30 FEEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(C)s3)n2C[C@@H]2CCOC2)CC1 ZINC000283345785 551351299 /nfs/dbraw/zinc/35/12/99/551351299.db2.gz KLDUSYRISUWSDX-INIZCTEOSA-N 1 2 371.510 2.107 20 30 FEEDLO COCC1(C#N)CCN(C(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)CC1 ZINC000498193626 561518106 /nfs/dbraw/zinc/51/81/06/561518106.db2.gz ARMJMESOQRONER-UHFFFAOYSA-N 1 2 373.457 2.011 20 30 FEEDLO N#Cc1cc(C(=O)N2CCN(Cc3cn4ccccc4[nH+]3)CC2)ccc1F ZINC000285023842 551691602 /nfs/dbraw/zinc/69/16/02/551691602.db2.gz OOEWAHGUACHWDL-UHFFFAOYSA-N 1 2 363.396 2.303 20 30 FEEDLO CCCS(=O)(=O)CC[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000285488999 551764660 /nfs/dbraw/zinc/76/46/60/551764660.db2.gz MFQJUYYIJBNUHC-UHFFFAOYSA-N 1 2 354.447 2.365 20 30 FEEDLO N#CC1(CS(=O)(=O)NCC[N@@H+]2CCc3sccc3C2)CCCC1 ZINC000498871004 561536426 /nfs/dbraw/zinc/53/64/26/561536426.db2.gz AMGDAEYTYXPSHG-UHFFFAOYSA-N 1 2 353.513 2.110 20 30 FEEDLO N#CC1(CS(=O)(=O)NCC[N@H+]2CCc3sccc3C2)CCCC1 ZINC000498871004 561536427 /nfs/dbraw/zinc/53/64/27/561536427.db2.gz AMGDAEYTYXPSHG-UHFFFAOYSA-N 1 2 353.513 2.110 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccc(Oc2ccccc2)nn1 ZINC000499059817 561542291 /nfs/dbraw/zinc/54/22/91/561542291.db2.gz RQXDKMFXUBAIKZ-UHFFFAOYSA-N 1 2 367.453 2.317 20 30 FEEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000287530772 552016047 /nfs/dbraw/zinc/01/60/47/552016047.db2.gz VOTNVOQOPXYKTM-RHSMWYFYSA-N 1 2 366.421 2.148 20 30 FEEDLO C=CCn1c(=O)c2ccc(C(=O)N3CC[N@@H+](CC)C[C@H]3C)cc2[nH]c1=S ZINC000288401721 552147537 /nfs/dbraw/zinc/14/75/37/552147537.db2.gz LFWGYBLGFLYCTI-CYBMUJFWSA-N 1 2 372.494 2.037 20 30 FEEDLO C=CCn1c(=O)c2ccc(C(=O)N3CC[N@H+](CC)C[C@H]3C)cc2[nH]c1=S ZINC000288401721 552147540 /nfs/dbraw/zinc/14/75/40/552147540.db2.gz LFWGYBLGFLYCTI-CYBMUJFWSA-N 1 2 372.494 2.037 20 30 FEEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)N(C)[C@H](C)c2ccc(F)c(F)c2)C1=O ZINC000500026684 561564443 /nfs/dbraw/zinc/56/44/43/561564443.db2.gz RPJBTHNDSCSHEN-CXAGYDPISA-N 1 2 365.424 2.203 20 30 FEEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)N(C)[C@H](C)c2ccc(F)c(F)c2)C1=O ZINC000500026684 561564444 /nfs/dbraw/zinc/56/44/44/561564444.db2.gz RPJBTHNDSCSHEN-CXAGYDPISA-N 1 2 365.424 2.203 20 30 FEEDLO Cc1onc(CC(=O)N2CC[NH+](Cc3ccccc3Cl)CC2)c1C#N ZINC000500366407 561571009 /nfs/dbraw/zinc/57/10/09/561571009.db2.gz ZLKMHZSTCGTGMB-UHFFFAOYSA-N 1 2 358.829 2.395 20 30 FEEDLO Cc1cc[nH+]cc1N1CCN(C(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)CC1 ZINC000500663195 561578995 /nfs/dbraw/zinc/57/89/95/561578995.db2.gz IXBMPNSCDBNRNN-LJQANCHMSA-N 1 2 359.433 2.293 20 30 FEEDLO COc1ccccc1[C@H]1CC[N@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000290350034 552465069 /nfs/dbraw/zinc/46/50/69/552465069.db2.gz QAKIQBOFFFGQNN-INIZCTEOSA-N 1 2 371.462 2.225 20 30 FEEDLO COc1ccccc1[C@H]1CC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000290350034 552465072 /nfs/dbraw/zinc/46/50/72/552465072.db2.gz QAKIQBOFFFGQNN-INIZCTEOSA-N 1 2 371.462 2.225 20 30 FEEDLO C=CC[N@@H+](C[C@H](O)c1ccc(C(F)(F)F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000291178952 552596732 /nfs/dbraw/zinc/59/67/32/552596732.db2.gz NZWLDMPZBADBDJ-GJZGRUSLSA-N 1 2 363.401 2.414 20 30 FEEDLO C=CC[N@H+](C[C@H](O)c1ccc(C(F)(F)F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000291178952 552596734 /nfs/dbraw/zinc/59/67/34/552596734.db2.gz NZWLDMPZBADBDJ-GJZGRUSLSA-N 1 2 363.401 2.414 20 30 FEEDLO CCn1nc(C)c(CC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1C ZINC000292292658 552712931 /nfs/dbraw/zinc/71/29/31/552712931.db2.gz PKCQLCYRCUELTQ-UHFFFAOYSA-N 1 2 365.481 2.278 20 30 FEEDLO COC(=O)N1CCN(c2ccc(Nc3nc(C)ccc3C#N)c[nH+]2)CC1 ZINC000292775148 552757623 /nfs/dbraw/zinc/75/76/23/552757623.db2.gz LIJBWCRJMUWUIG-UHFFFAOYSA-N 1 2 352.398 2.289 20 30 FEEDLO N#CCSc1ccccc1NC(=O)C[NH+]1CCC2(CC1)OCCCO2 ZINC000292949619 552773977 /nfs/dbraw/zinc/77/39/77/552773977.db2.gz INYNRWQEFLXEPO-UHFFFAOYSA-N 1 2 361.467 2.470 20 30 FEEDLO CC(C)[C@H]1C[N@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)CCCO1 ZINC000293224462 552800819 /nfs/dbraw/zinc/80/08/19/552800819.db2.gz RXHJCFOVAQVPEE-CRAIPNDOSA-N 1 2 368.437 2.259 20 30 FEEDLO CC(C)[C@H]1C[N@@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)CCCO1 ZINC000293224462 552800821 /nfs/dbraw/zinc/80/08/21/552800821.db2.gz RXHJCFOVAQVPEE-CRAIPNDOSA-N 1 2 368.437 2.259 20 30 FEEDLO N#C[C@@H]1CC[C@H]([NH+]2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)C1 ZINC000293556588 552835133 /nfs/dbraw/zinc/83/51/33/552835133.db2.gz RPQWGMTXTZCGOG-OLZOCXBDSA-N 1 2 371.865 2.478 20 30 FEEDLO C=CCOCCN1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1[nH+]ccn1C ZINC000294040514 552877586 /nfs/dbraw/zinc/87/75/86/552877586.db2.gz IQMZEBCYZZSWOM-OAHLLOKOSA-N 1 2 350.463 2.217 20 30 FEEDLO COc1cc[nH+]cc1CNC(=O)C(=O)Nc1cc(C#N)ccc1OC(C)C ZINC000294945345 552946043 /nfs/dbraw/zinc/94/60/43/552946043.db2.gz LOLSJUSHUGMCBB-UHFFFAOYSA-N 1 2 368.393 2.004 20 30 FEEDLO O=C(C[N@H+](C1CC1)C1COC1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000295097801 552958915 /nfs/dbraw/zinc/95/89/15/552958915.db2.gz BKIQAAYCJYSWQJ-UHFFFAOYSA-N 1 2 352.356 2.036 20 30 FEEDLO O=C(C[N@@H+](C1CC1)C1COC1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000295097801 552958918 /nfs/dbraw/zinc/95/89/18/552958918.db2.gz BKIQAAYCJYSWQJ-UHFFFAOYSA-N 1 2 352.356 2.036 20 30 FEEDLO CC(C)(C)c1cc(C#N)c(NC(=O)C(=O)NCCCn2cc[nH+]c2)s1 ZINC000296168429 553116138 /nfs/dbraw/zinc/11/61/38/553116138.db2.gz YRDQNEZSZUTAMR-UHFFFAOYSA-N 1 2 359.455 2.259 20 30 FEEDLO COc1ccc(F)cc1C[NH+]1CCN(c2ncc(C#N)cc2[N+](=O)[O-])CC1 ZINC000296471665 553165654 /nfs/dbraw/zinc/16/56/54/553165654.db2.gz JZZMIERLQWHRBB-UHFFFAOYSA-N 1 2 371.372 2.331 20 30 FEEDLO N#Cc1cc(Br)cnc1N1CC[NH+](Cc2cccnc2)CC1 ZINC000296477501 553166551 /nfs/dbraw/zinc/16/65/51/553166551.db2.gz KGOLSORCXXAKJK-UHFFFAOYSA-N 1 2 358.243 2.433 20 30 FEEDLO Cc1ccc(N(CCC#N)C(=O)C[N@H+]2CC[C@H](OC(=O)N(C)C)C2)cc1C ZINC000296600399 553185514 /nfs/dbraw/zinc/18/55/14/553185514.db2.gz GBQSKDYTBOMWDJ-SFHVURJKSA-N 1 2 372.469 2.323 20 30 FEEDLO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H](OC(=O)N(C)C)C2)cc1C ZINC000296600399 553185515 /nfs/dbraw/zinc/18/55/15/553185515.db2.gz GBQSKDYTBOMWDJ-SFHVURJKSA-N 1 2 372.469 2.323 20 30 FEEDLO C#CCOc1ccc(CNC(=O)N2CC[NH+](Cc3cccnc3)CC2)cc1 ZINC000296943376 553232850 /nfs/dbraw/zinc/23/28/50/553232850.db2.gz HCIQFTIQORLUKV-UHFFFAOYSA-N 1 2 364.449 2.121 20 30 FEEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)C(=O)Nc1cc(C#N)ccc1Cl)CCC2 ZINC000503108157 561634592 /nfs/dbraw/zinc/63/45/92/561634592.db2.gz ZVOFKKOSNAOYRO-CYBMUJFWSA-N 1 2 371.828 2.349 20 30 FEEDLO O=C(COc1ccc(CC/[NH+]=C/c2ccc(O)c(O)c2O)cc1)NC1CC1 ZINC000298782155 553472232 /nfs/dbraw/zinc/47/22/32/553472232.db2.gz OHYPCJUEFWXEMA-SRZZPIQSSA-N 1 2 370.405 2.122 20 30 FEEDLO CCN(CC)c1ccc(CNS(=O)(=O)Cc2cccc(C#N)c2)c[nH+]1 ZINC000298849042 553480888 /nfs/dbraw/zinc/48/08/88/553480888.db2.gz LLBUSMYDFZFEFZ-UHFFFAOYSA-N 1 2 358.467 2.419 20 30 FEEDLO C[C@@H](O)CNc1cc(NC2CCC(Oc3ccc(C#N)cn3)CC2)nc[nH+]1 ZINC000299101906 553515741 /nfs/dbraw/zinc/51/57/41/553515741.db2.gz WODDOZCPZREYQA-IUDNXUCKSA-N 1 2 368.441 2.338 20 30 FEEDLO C[C@@H](O)CNc1cc(NC2CCC(Oc3ccc(C#N)cn3)CC2)[nH+]cn1 ZINC000299101906 553515742 /nfs/dbraw/zinc/51/57/42/553515742.db2.gz WODDOZCPZREYQA-IUDNXUCKSA-N 1 2 368.441 2.338 20 30 FEEDLO COc1cc[nH+]cc1NC(=O)CCc1c(C)nc2c(C#N)cnn2c1C ZINC000299493424 553571263 /nfs/dbraw/zinc/57/12/63/553571263.db2.gz OCSTVOQOXOLOFE-UHFFFAOYSA-N 1 2 350.382 2.193 20 30 FEEDLO NC(=[NH+]OCC(=O)NC1CCCC1)c1cccc(OCc2cccnc2)c1 ZINC000299719224 553607151 /nfs/dbraw/zinc/60/71/51/553607151.db2.gz YUXLKCJQIFPXKI-UHFFFAOYSA-N 1 2 368.437 2.356 20 30 FEEDLO CC[C@H](C)NC(=O)C[NH+]1CCN(c2cc(C#N)nc3ccccc32)CC1 ZINC000301334224 553642735 /nfs/dbraw/zinc/64/27/35/553642735.db2.gz FPKIYFHKDDLSIP-HNNXBMFYSA-N 1 2 351.454 2.143 20 30 FEEDLO CCN(CC)C(=O)C[NH+]1CCN(c2cc(C#N)nc3ccccc32)CC1 ZINC000301339907 553643321 /nfs/dbraw/zinc/64/33/21/553643321.db2.gz HYHGYJLJUIQFPS-UHFFFAOYSA-N 1 2 351.454 2.097 20 30 FEEDLO N#Cc1cc(N2CC[NH+](CC(=O)N3CCCCC3)CC2)c2ccccc2n1 ZINC000301376141 553646692 /nfs/dbraw/zinc/64/66/92/553646692.db2.gz XNUGYJSVBOAGPH-UHFFFAOYSA-N 1 2 363.465 2.241 20 30 FEEDLO COc1cc(OC)cc([C@H](Nc2ccc(C#N)nn2)c2[nH+]ccn2C)c1 ZINC000301822748 553683022 /nfs/dbraw/zinc/68/30/22/553683022.db2.gz CCLQVVCDOUJYEC-KRWDZBQOSA-N 1 2 350.382 2.300 20 30 FEEDLO CC(C)c1nc(N2CCCN(c3ncccc3C#N)CC2)nc(N(C)C)[nH+]1 ZINC000302004372 553697342 /nfs/dbraw/zinc/69/73/42/553697342.db2.gz RYXKIFUUBBYPIA-UHFFFAOYSA-N 1 2 366.473 2.044 20 30 FEEDLO CC(C)c1nc(N(C)C)nc(N2CCCN(c3ncccc3C#N)CC2)[nH+]1 ZINC000302004372 553697344 /nfs/dbraw/zinc/69/73/44/553697344.db2.gz RYXKIFUUBBYPIA-UHFFFAOYSA-N 1 2 366.473 2.044 20 30 FEEDLO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(c2cc(C#N)ccc2[N+](=O)[O-])CC1 ZINC000302188117 553709496 /nfs/dbraw/zinc/70/94/96/553709496.db2.gz ADSJGFIQGIWSLK-CQSZACIVSA-N 1 2 371.441 2.036 20 30 FEEDLO CC(C)N1CCC[C@H]([N@@H+]2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)C1=O ZINC000328673923 553805347 /nfs/dbraw/zinc/80/53/47/553805347.db2.gz JKIKOAFCRURNSJ-LIVBEALHSA-N 1 2 352.438 2.381 20 30 FEEDLO CC(C)N1CCC[C@H]([N@H+]2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)C1=O ZINC000328673923 553805349 /nfs/dbraw/zinc/80/53/49/553805349.db2.gz JKIKOAFCRURNSJ-LIVBEALHSA-N 1 2 352.438 2.381 20 30 FEEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)c2cccc([C@@H]3CCOC3)c2)CC1 ZINC000328871089 553836524 /nfs/dbraw/zinc/83/65/24/553836524.db2.gz IGSFGAOADRNCJB-CRAIPNDOSA-N 1 2 371.481 2.456 20 30 FEEDLO CCO[C@H](CCNC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1)C1CCCC1 ZINC000328885606 553838678 /nfs/dbraw/zinc/83/86/78/553838678.db2.gz OKHQCHKDIQPPKK-KSZLIROESA-N 1 2 353.507 2.291 20 30 FEEDLO CCO[C@H](CCNC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1)C1CCCC1 ZINC000328885606 553838679 /nfs/dbraw/zinc/83/86/79/553838679.db2.gz OKHQCHKDIQPPKK-KSZLIROESA-N 1 2 353.507 2.291 20 30 FEEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)NCCc3nc(C(C)(C)C)cs3)C[C@@H]21 ZINC000328889804 553839806 /nfs/dbraw/zinc/83/98/06/553839806.db2.gz REQNJKVJGGJBEU-UONOGXRCSA-N 1 2 366.531 2.302 20 30 FEEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)NCCc3nc(C(C)(C)C)cs3)C[C@@H]21 ZINC000328889804 553839809 /nfs/dbraw/zinc/83/98/09/553839809.db2.gz REQNJKVJGGJBEU-UONOGXRCSA-N 1 2 366.531 2.302 20 30 FEEDLO Cc1cc(C#N)ccc1S(=O)(=O)N1CC[N@@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000328902100 553842095 /nfs/dbraw/zinc/84/20/95/553842095.db2.gz ZYEQICNQNCYRRF-IBGZPJMESA-N 1 2 369.490 2.414 20 30 FEEDLO Cc1cc(C#N)ccc1S(=O)(=O)N1CC[N@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000328902100 553842096 /nfs/dbraw/zinc/84/20/96/553842096.db2.gz ZYEQICNQNCYRRF-IBGZPJMESA-N 1 2 369.490 2.414 20 30 FEEDLO CC(=O)N[C@H](CC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1)c1ccc(C)cc1 ZINC000328908753 553843235 /nfs/dbraw/zinc/84/32/35/553843235.db2.gz MIMLIUYIMRJAAP-QYZOEREBSA-N 1 2 359.470 2.334 20 30 FEEDLO CC(=O)N[C@H](CC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1)c1ccc(C)cc1 ZINC000328908753 553843237 /nfs/dbraw/zinc/84/32/37/553843237.db2.gz MIMLIUYIMRJAAP-QYZOEREBSA-N 1 2 359.470 2.334 20 30 FEEDLO O=C(NCC1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1)c1ccccn1 ZINC000328947534 553851111 /nfs/dbraw/zinc/85/11/11/553851111.db2.gz MPQMZRKSLILNER-INIZCTEOSA-N 1 2 367.453 2.084 20 30 FEEDLO Cc1cc(C)n(-c2ccccc2NC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)n1 ZINC000328968120 553854958 /nfs/dbraw/zinc/85/49/58/553854958.db2.gz UADVTLHRGIUOAG-RBUKOAKNSA-N 1 2 369.469 2.440 20 30 FEEDLO Cc1cc(C)n(-c2ccccc2NC(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)n1 ZINC000328968120 553854961 /nfs/dbraw/zinc/85/49/61/553854961.db2.gz UADVTLHRGIUOAG-RBUKOAKNSA-N 1 2 369.469 2.440 20 30 FEEDLO Cc1cccc(C(=O)N[C@@H]2CCC(=O)N(C3CC3)[C@H]2c2c[nH+]cn2C)n1 ZINC000329017034 553865376 /nfs/dbraw/zinc/86/53/76/553865376.db2.gz KOBPHEBGCQKFSG-RDTXWAMCSA-N 1 2 353.426 2.323 20 30 FEEDLO O=C(C[N@@H+]1CCO[C@@]2(CCCOC2)C1)NCCOc1ccc(F)cc1 ZINC000329083339 553877439 /nfs/dbraw/zinc/87/74/39/553877439.db2.gz SRDNRLSMUNFEQG-SFHVURJKSA-N 1 2 352.406 2.042 20 30 FEEDLO O=C(C[N@H+]1CCO[C@@]2(CCCOC2)C1)NCCOc1ccc(F)cc1 ZINC000329083339 553877440 /nfs/dbraw/zinc/87/74/40/553877440.db2.gz SRDNRLSMUNFEQG-SFHVURJKSA-N 1 2 352.406 2.042 20 30 FEEDLO COC1CCC(CCNC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)CC1 ZINC000329231284 553907563 /nfs/dbraw/zinc/90/75/63/553907563.db2.gz KNYCWZXDPYICPQ-RZZCCWGQSA-N 1 2 353.507 2.291 20 30 FEEDLO CCO[C@@H]1C[C@H](NC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)C12CCC2 ZINC000329290550 553919175 /nfs/dbraw/zinc/91/91/75/553919175.db2.gz QLMBLSQGUVWBIZ-WCXIOVBPSA-N 1 2 351.491 2.043 20 30 FEEDLO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3CN2C(=O)N[C@H](c1[nH+]ccn1C)C1CCOCC1 ZINC000329361395 553932530 /nfs/dbraw/zinc/93/25/30/553932530.db2.gz YMUQWXLNVDBBMI-YPLQCARHSA-N 1 2 374.485 2.157 20 30 FEEDLO Cc1ccc(NC(=O)NC(=O)[C@H](C)[N@@H+]2CCN3CCOC[C@@H]3C2)c(C)c1 ZINC000329400383 553938900 /nfs/dbraw/zinc/93/89/00/553938900.db2.gz BBYKLXGZYGEJIZ-HOTGVXAUSA-N 1 2 360.458 2.210 20 30 FEEDLO Cc1ccc(NC(=O)NC(=O)[C@H](C)[N@H+]2CCN3CCOC[C@@H]3C2)c(C)c1 ZINC000329400383 553938906 /nfs/dbraw/zinc/93/89/06/553938906.db2.gz BBYKLXGZYGEJIZ-HOTGVXAUSA-N 1 2 360.458 2.210 20 30 FEEDLO CS(=O)(=O)N1CCC(C(=O)NCc2cccc(-c3[nH]cc[nH+]3)c2)CC1 ZINC000329422888 553943553 /nfs/dbraw/zinc/94/35/53/553943553.db2.gz FVONGHXUXFAUGB-UHFFFAOYSA-N 1 2 362.455 2.205 20 30 FEEDLO CC(C)C[C@@H]1C[C@H](NC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)CCO1 ZINC000329492395 553957293 /nfs/dbraw/zinc/95/72/93/553957293.db2.gz WCGSNWDRRBBFSB-FGTMMUONSA-N 1 2 353.507 2.291 20 30 FEEDLO Cc1nc(N2CCN(C(=O)N[C@H](C)c3ccc4c(c3)OCO4)CC2)cc[nH+]1 ZINC000329546033 553965789 /nfs/dbraw/zinc/96/57/89/553965789.db2.gz ZWGVNZWZOTVRBT-CYBMUJFWSA-N 1 2 369.425 2.311 20 30 FEEDLO C=CCn1c(-c2cccc(C)c2)nnc1S(=O)(=O)Cc1c[nH+]cn1C ZINC000506895057 561711117 /nfs/dbraw/zinc/71/11/17/561711117.db2.gz OXLZFDBEXRTTHU-UHFFFAOYSA-N 1 2 357.439 2.147 20 30 FEEDLO [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CCC[C@@H](c2noc(C3CC3)n2)C1 ZINC000329630621 553979627 /nfs/dbraw/zinc/97/96/27/553979627.db2.gz QXIRCDOLIDOPLD-CHWSQXEVSA-N 1 2 356.430 2.321 20 30 FEEDLO [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1CCC[C@@H](c2noc(C3CC3)n2)C1 ZINC000329630621 553979629 /nfs/dbraw/zinc/97/96/29/553979629.db2.gz QXIRCDOLIDOPLD-CHWSQXEVSA-N 1 2 356.430 2.321 20 30 FEEDLO C[C@H]([C@H](C)NC(=O)N1CC2(CCC2)[C@@H]1[C@@H]1CCCO1)[NH+]1CCOCC1 ZINC000329635830 553980335 /nfs/dbraw/zinc/98/03/35/553980335.db2.gz XVZHHZZMJHMMAL-YVSFHVDLSA-N 1 2 351.491 2.043 20 30 FEEDLO COc1ccc(OC)c(NC(=O)[C@H](C)[N@@H+]2CC[C@H](N3CCOCC3)C2)c1 ZINC000329683582 553988031 /nfs/dbraw/zinc/98/80/31/553988031.db2.gz XUPFGRDZACQJSW-GJZGRUSLSA-N 1 2 363.458 2.087 20 30 FEEDLO COc1ccc(OC)c(NC(=O)[C@H](C)[N@H+]2CC[C@H](N3CCOCC3)C2)c1 ZINC000329683582 553988035 /nfs/dbraw/zinc/98/80/35/553988035.db2.gz XUPFGRDZACQJSW-GJZGRUSLSA-N 1 2 363.458 2.087 20 30 FEEDLO COc1ccc(OC)c(NC(=O)[C@H](C)N2CC[C@H]([NH+]3CCOCC3)C2)c1 ZINC000329683582 553988039 /nfs/dbraw/zinc/98/80/39/553988039.db2.gz XUPFGRDZACQJSW-GJZGRUSLSA-N 1 2 363.458 2.087 20 30 FEEDLO CC(=O)N1CCC[C@@H]1C(=O)N[C@H](C[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000329713284 553993713 /nfs/dbraw/zinc/99/37/13/553993713.db2.gz RHTIYTHWHBTDHZ-RTBURBONSA-N 1 2 359.470 2.336 20 30 FEEDLO C[C@@H]1OCC[C@@]1(C)NC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000329764779 554001903 /nfs/dbraw/zinc/00/19/03/554001903.db2.gz WDKCQGNLQAVSRB-HNAYVOBHSA-N 1 2 360.458 2.034 20 30 FEEDLO Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)[C@H]2C[N@H+](C)CCO2)c(C)c1 ZINC000329873060 554022874 /nfs/dbraw/zinc/02/28/74/554022874.db2.gz BXCPHDRGRORPAY-HZPDHXFCSA-N 1 2 363.483 2.124 20 30 FEEDLO Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)[C@H]2C[N@@H+](C)CCO2)c(C)c1 ZINC000329873060 554022878 /nfs/dbraw/zinc/02/28/78/554022878.db2.gz BXCPHDRGRORPAY-HZPDHXFCSA-N 1 2 363.483 2.124 20 30 FEEDLO O=C(C[N@@H+]1CCO[C@@]2(CCOC2)C1)NCCc1cccc2cccnc21 ZINC000329903954 554028076 /nfs/dbraw/zinc/02/80/76/554028076.db2.gz QRPQMPPTSVMHOZ-FQEVSTJZSA-N 1 2 355.438 2.225 20 30 FEEDLO O=C(C[N@H+]1CCO[C@@]2(CCOC2)C1)NCCc1cccc2cccnc21 ZINC000329903954 554028078 /nfs/dbraw/zinc/02/80/78/554028078.db2.gz QRPQMPPTSVMHOZ-FQEVSTJZSA-N 1 2 355.438 2.225 20 30 FEEDLO O=C(NCc1cn2c([nH+]1)CCCC2)N1CCSC2(CCOCC2)C1 ZINC000329950254 554037403 /nfs/dbraw/zinc/03/74/03/554037403.db2.gz CCUFHSDOWCRZBW-UHFFFAOYSA-N 1 2 350.488 2.231 20 30 FEEDLO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000329972151 554041836 /nfs/dbraw/zinc/04/18/36/554041836.db2.gz VYBFVFZFPNOINX-ROUUACIJSA-N 1 2 369.469 2.092 20 30 FEEDLO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000329972151 554041837 /nfs/dbraw/zinc/04/18/37/554041837.db2.gz VYBFVFZFPNOINX-ROUUACIJSA-N 1 2 369.469 2.092 20 30 FEEDLO Cc1cc(C[N@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)N[C@@H]2CCCOCC2)on1 ZINC000329980998 554043469 /nfs/dbraw/zinc/04/34/69/554043469.db2.gz MKTQSUAIAWVSHK-XHSDSOJGSA-N 1 2 368.453 2.310 20 30 FEEDLO Cc1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)N[C@@H]2CCCOCC2)on1 ZINC000329980998 554043471 /nfs/dbraw/zinc/04/34/71/554043471.db2.gz MKTQSUAIAWVSHK-XHSDSOJGSA-N 1 2 368.453 2.310 20 30 FEEDLO C[C@@H]1C[C@H](C(=O)NC[C@@H]2C[C@H](F)CN2Cc2[nH+]ccn2C)CC(=O)N1 ZINC000329984926 554043714 /nfs/dbraw/zinc/04/37/14/554043714.db2.gz QTODTYULDFFBRS-RFGFWPKPSA-N 1 2 351.426 2.044 20 30 FEEDLO CN1CC[N@H+](C)[C@H](CNC(=O)Nc2cc(F)ccc2OCC2CC2)C1 ZINC000330101306 554064633 /nfs/dbraw/zinc/06/46/33/554064633.db2.gz FJUUHQOMWHZBAC-OAHLLOKOSA-N 1 2 350.438 2.186 20 30 FEEDLO CN1CC[N@@H+](C)[C@H](CNC(=O)Nc2cc(F)ccc2OCC2CC2)C1 ZINC000330101306 554064634 /nfs/dbraw/zinc/06/46/34/554064634.db2.gz FJUUHQOMWHZBAC-OAHLLOKOSA-N 1 2 350.438 2.186 20 30 FEEDLO C[C@@H]1C[NH+](C(C)(C)CNC(=O)[C@@H]2CC23CCS(=O)(=O)CC3)C[C@@H](C)O1 ZINC000330150703 554074508 /nfs/dbraw/zinc/07/45/08/554074508.db2.gz KXMDNCFDYPUBFS-KFWWJZLASA-N 1 2 372.531 2.046 20 30 FEEDLO CCn1cc[nH+]c1[C@H](NC(=O)N1CC2(C1)CCOCC2)C1CCOCC1 ZINC000330209909 554085578 /nfs/dbraw/zinc/08/55/78/554085578.db2.gz HXYXFLULKGJOCU-MRXNPFEDSA-N 1 2 362.474 2.397 20 30 FEEDLO CCO[C@@H]1C[C@H](NC(=O)N2CCN(CC)[C@@H](c3[nH]cc[nH+]3)C2)C12CCC2 ZINC000330317259 554104148 /nfs/dbraw/zinc/10/41/48/554104148.db2.gz BKSFBXXYWQJGIV-OWCLPIDISA-N 1 2 361.490 2.350 20 30 FEEDLO Cc1c([C@H]2OCC[C@@H]2NC(=O)NCc2cn3ccc(C)cc3[nH+]2)cnn1C ZINC000330341205 554108414 /nfs/dbraw/zinc/10/84/14/554108414.db2.gz YYSSBEGPFAQGOU-FUHWJXTLSA-N 1 2 368.441 2.218 20 30 FEEDLO C=CCn1c(-c2ccoc2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000508471800 561762912 /nfs/dbraw/zinc/76/29/12/561762912.db2.gz HVXTZGWYROBEAC-UHFFFAOYSA-N 1 2 351.414 2.149 20 30 FEEDLO C=CCn1c(Cc2ccccn2)nnc1N1CC[NH+](Cc2ccco2)CC1 ZINC000508817782 561773818 /nfs/dbraw/zinc/77/38/18/561773818.db2.gz PFSOYOYLNUJAGY-UHFFFAOYSA-N 1 2 364.453 2.365 20 30 FEEDLO C=CCn1c(COc2ccc(C)cc2)nnc1N(C)CC[NH+]1CCOCC1 ZINC000508841446 561774725 /nfs/dbraw/zinc/77/47/25/561774725.db2.gz RMKZEBLTPVSFQU-UHFFFAOYSA-N 1 2 371.485 2.120 20 30 FEEDLO C=CCn1c(Cc2ccccc2C)nnc1N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000508889929 561777057 /nfs/dbraw/zinc/77/70/57/561777057.db2.gz VDBUNJGBFMQOJQ-LJQANCHMSA-N 1 2 367.497 2.274 20 30 FEEDLO Cc1cc(N2CCOCC2)ccc1NC(=O)N1CCC(C#N)([NH+](C)C)CC1 ZINC000332533338 554465050 /nfs/dbraw/zinc/46/50/50/554465050.db2.gz WPGKGKUFHDUGEM-UHFFFAOYSA-N 1 2 371.485 2.283 20 30 FEEDLO C[N@@H+]1CCO[C@H]2CCN(C(=O)Nc3cc(C#N)ccc3OC(F)F)C[C@H]21 ZINC000332574646 554474724 /nfs/dbraw/zinc/47/47/24/554474724.db2.gz CRQROXCWUXUVEM-HIFRSBDPSA-N 1 2 366.368 2.096 20 30 FEEDLO C[N@H+]1CCO[C@H]2CCN(C(=O)Nc3cc(C#N)ccc3OC(F)F)C[C@H]21 ZINC000332574646 554474728 /nfs/dbraw/zinc/47/47/28/554474728.db2.gz CRQROXCWUXUVEM-HIFRSBDPSA-N 1 2 366.368 2.096 20 30 FEEDLO CC(C)Oc1ccc(NC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)cc1C#N ZINC000332582001 554476576 /nfs/dbraw/zinc/47/65/76/554476576.db2.gz GEBAWGXVWLHYID-AEFFLSMTSA-N 1 2 358.442 2.282 20 30 FEEDLO CC(C)Oc1ccc(NC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)cc1C#N ZINC000332582001 554476578 /nfs/dbraw/zinc/47/65/78/554476578.db2.gz GEBAWGXVWLHYID-AEFFLSMTSA-N 1 2 358.442 2.282 20 30 FEEDLO N#CCC1(CS(=O)(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)CC1 ZINC000333668273 554631965 /nfs/dbraw/zinc/63/19/65/554631965.db2.gz IHKDUKZFYHXSCP-HNNXBMFYSA-N 1 2 362.499 2.422 20 30 FEEDLO C[C@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)[NH+]1CCC(F)(C#N)CC1 ZINC000510901149 561849967 /nfs/dbraw/zinc/84/99/67/561849967.db2.gz HFSWKFSTZUMORO-OAHLLOKOSA-N 1 2 362.424 2.190 20 30 FEEDLO CCN(C[C@H]1COc2ccccc2O1)C(=O)C[NH+]1CCC(F)(C#N)CC1 ZINC000510934741 561851118 /nfs/dbraw/zinc/85/11/18/561851118.db2.gz REJAJCVBOXQLGB-HNNXBMFYSA-N 1 2 361.417 2.003 20 30 FEEDLO C=C[C@](C)(CC)c1nc(-c2ccc(C(=O)N3CC[NH+](C)CC3)nc2)no1 ZINC000350145160 554762914 /nfs/dbraw/zinc/76/29/14/554762914.db2.gz UUBXEOZZCDSEBI-LJQANCHMSA-N 1 2 355.442 2.373 20 30 FEEDLO C=CCOc1cccc(NC(=O)c2cnn(CC[NH+]3CCOCC3)c2)c1 ZINC000361911787 554938064 /nfs/dbraw/zinc/93/80/64/554938064.db2.gz ZAXASTSGYPCRCA-UHFFFAOYSA-N 1 2 356.426 2.032 20 30 FEEDLO N#CC1(NC(=O)C[N@H+]2CCCN(C(=O)c3cccc(Cl)c3)CC2)CCC1 ZINC000363886548 555206898 /nfs/dbraw/zinc/20/68/98/555206898.db2.gz WYDQLVWONPHMAY-UHFFFAOYSA-N 1 2 374.872 2.050 20 30 FEEDLO N#CC1(NC(=O)C[N@@H+]2CCCN(C(=O)c3cccc(Cl)c3)CC2)CCC1 ZINC000363886548 555206900 /nfs/dbraw/zinc/20/69/00/555206900.db2.gz WYDQLVWONPHMAY-UHFFFAOYSA-N 1 2 374.872 2.050 20 30 FEEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CCCN(c3ncccn3)CC2)c1C ZINC000365281464 555531421 /nfs/dbraw/zinc/53/14/21/555531421.db2.gz XYLJTXJDDOCJMV-UHFFFAOYSA-N 1 2 353.470 2.476 20 30 FEEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CCCN(c3ncccn3)CC2)c1C ZINC000365281464 555531422 /nfs/dbraw/zinc/53/14/22/555531422.db2.gz XYLJTXJDDOCJMV-UHFFFAOYSA-N 1 2 353.470 2.476 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1Cc2ccccc2[C@@H](n2cccn2)C1 ZINC000365421496 555570660 /nfs/dbraw/zinc/57/06/60/555570660.db2.gz PRBVUUVHQIEIBC-AZUAARDMSA-N 1 2 351.454 2.343 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1Cc2ccccc2[C@@H](n2cccn2)C1 ZINC000365421496 555570662 /nfs/dbraw/zinc/57/06/62/555570662.db2.gz PRBVUUVHQIEIBC-AZUAARDMSA-N 1 2 351.454 2.343 20 30 FEEDLO CC[N@H+](CC(=O)N1CCCCCC1)[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000513182554 561928352 /nfs/dbraw/zinc/92/83/52/561928352.db2.gz HCIGKZPQWFJXGG-QFBILLFUSA-N 1 2 350.507 2.154 20 30 FEEDLO CC[N@@H+](CC(=O)N1CCCCCC1)[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000513182554 561928353 /nfs/dbraw/zinc/92/83/53/561928353.db2.gz HCIGKZPQWFJXGG-QFBILLFUSA-N 1 2 350.507 2.154 20 30 FEEDLO Cc1sc(NC(=O)C[N@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(N)=O)c(C#N)c1C ZINC000365885793 555692409 /nfs/dbraw/zinc/69/24/09/555692409.db2.gz PAXNBRMTQPGYDP-YUELXQCFSA-N 1 2 360.483 2.294 20 30 FEEDLO Cc1sc(NC(=O)C[N@@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(N)=O)c(C#N)c1C ZINC000365885793 555692413 /nfs/dbraw/zinc/69/24/13/555692413.db2.gz PAXNBRMTQPGYDP-YUELXQCFSA-N 1 2 360.483 2.294 20 30 FEEDLO COc1ccccc1OCC[N@@H+]1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000513666178 561946237 /nfs/dbraw/zinc/94/62/37/561946237.db2.gz KHJDIRYRZVFIOP-YCRPNKLZSA-N 1 2 363.417 2.419 20 30 FEEDLO COc1ccccc1OCC[N@H+]1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000513666178 561946238 /nfs/dbraw/zinc/94/62/38/561946238.db2.gz KHJDIRYRZVFIOP-YCRPNKLZSA-N 1 2 363.417 2.419 20 30 FEEDLO C=CCOCCNC(=O)C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000366719367 555917250 /nfs/dbraw/zinc/91/72/50/555917250.db2.gz HRBKYYYBYFLBCP-UHFFFAOYSA-N 1 2 356.426 2.020 20 30 FEEDLO COCC[N@H+](CC(=O)Nc1ccc(C#N)cc1)Cc1ccc2c(c1)OCO2 ZINC000514186187 561962767 /nfs/dbraw/zinc/96/27/67/561962767.db2.gz OBXCEUSCSQRBHM-UHFFFAOYSA-N 1 2 367.405 2.374 20 30 FEEDLO COCC[N@@H+](CC(=O)Nc1ccc(C#N)cc1)Cc1ccc2c(c1)OCO2 ZINC000514186187 561962768 /nfs/dbraw/zinc/96/27/68/561962768.db2.gz OBXCEUSCSQRBHM-UHFFFAOYSA-N 1 2 367.405 2.374 20 30 FEEDLO C=CCc1ccc(OCC(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)c(OC)c1 ZINC000367634621 556101878 /nfs/dbraw/zinc/10/18/78/556101878.db2.gz KCBCLBKYACWCSJ-AEFFLSMTSA-N 1 2 374.481 2.124 20 30 FEEDLO C=CCn1c(=O)c2ccc(C(=O)N(C)[C@@H]3CCC[NH2+]CC3)cc2[nH]c1=S ZINC000367642360 556103482 /nfs/dbraw/zinc/10/34/82/556103482.db2.gz HYIDPOCEXIUBMM-CQSZACIVSA-N 1 2 372.494 2.085 20 30 FEEDLO COCC[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)[C@@H]1CCCc2cccnc21 ZINC000368368816 556289828 /nfs/dbraw/zinc/28/98/28/556289828.db2.gz CDXTUXYYKCWICL-YLJYHZDGSA-N 1 2 356.470 2.216 20 30 FEEDLO COCC[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)[C@@H]1CCCc2cccnc21 ZINC000368368816 556289832 /nfs/dbraw/zinc/28/98/32/556289832.db2.gz CDXTUXYYKCWICL-YLJYHZDGSA-N 1 2 356.470 2.216 20 30 FEEDLO CCC(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000368670156 556380788 /nfs/dbraw/zinc/38/07/88/556380788.db2.gz RAJUVTVLUIZARX-GJZGRUSLSA-N 1 2 360.483 2.424 20 30 FEEDLO CCC(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1CC(=O)Nc1sccc1C#N ZINC000368670156 556380790 /nfs/dbraw/zinc/38/07/90/556380790.db2.gz RAJUVTVLUIZARX-GJZGRUSLSA-N 1 2 360.483 2.424 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)c1 ZINC000368975648 556464879 /nfs/dbraw/zinc/46/48/79/556464879.db2.gz RUSKITJZQSSUQS-ILZDJORESA-N 1 2 368.481 2.136 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)c1 ZINC000368975648 556464881 /nfs/dbraw/zinc/46/48/81/556464881.db2.gz RUSKITJZQSSUQS-ILZDJORESA-N 1 2 368.481 2.136 20 30 FEEDLO N#Cc1ncn(C2CC[NH+](Cc3nc4ccc(Cl)cc4c(=O)[nH]3)CC2)n1 ZINC000369311393 556571663 /nfs/dbraw/zinc/57/16/63/556571663.db2.gz GTTJIDLGTIVCNZ-UHFFFAOYSA-N 1 2 369.816 2.289 20 30 FEEDLO CC(C)N1C(=O)N[C@@]2(CC[N@H+](Cc3ccc(F)c(C#N)c3Cl)C2)C1=O ZINC000369362062 556580222 /nfs/dbraw/zinc/58/02/22/556580222.db2.gz JMTUFQXPRLFPAN-QGZVFWFLSA-N 1 2 364.808 2.255 20 30 FEEDLO CC(C)N1C(=O)N[C@@]2(CC[N@@H+](Cc3ccc(F)c(C#N)c3Cl)C2)C1=O ZINC000369362062 556580223 /nfs/dbraw/zinc/58/02/23/556580223.db2.gz JMTUFQXPRLFPAN-QGZVFWFLSA-N 1 2 364.808 2.255 20 30 FEEDLO Cc1oc(NC(=O)[C@@H](C)[NH+]2CCC(Oc3cnccn3)CC2)c(C#N)c1C ZINC000369691601 556669657 /nfs/dbraw/zinc/66/96/57/556669657.db2.gz FRYODQHXYUPJJN-CYBMUJFWSA-N 1 2 369.425 2.429 20 30 FEEDLO COc1ccccc1Oc1ccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)nc1 ZINC000516974190 562068734 /nfs/dbraw/zinc/06/87/34/562068734.db2.gz UCJNJXHBZVZEBA-IBGZPJMESA-N 1 2 354.410 2.456 20 30 FEEDLO COc1cc(C#N)cc(OCC(=O)N2CC[NH+](Cc3cccs3)CC2)c1 ZINC000517005547 562070401 /nfs/dbraw/zinc/07/04/01/562070401.db2.gz LSTUZPXQPNCIQV-UHFFFAOYSA-N 1 2 371.462 2.352 20 30 FEEDLO N#Cc1cccc(OC2CCN(C(=O)c3ccc(-n4cc[nH+]c4)nn3)CC2)c1 ZINC000517078440 562075012 /nfs/dbraw/zinc/07/50/12/562075012.db2.gz BCMBKQLAISKART-UHFFFAOYSA-N 1 2 374.404 2.218 20 30 FEEDLO Cc1cc(N(CCC#N)C(=O)C[N@H+]2CCNC(=O)C[C@H]2C)ccc1Cl ZINC000371185984 557100764 /nfs/dbraw/zinc/10/07/64/557100764.db2.gz VKFCJLXDDNFMAG-CQSZACIVSA-N 1 2 362.861 2.106 20 30 FEEDLO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CCNC(=O)C[C@H]2C)ccc1Cl ZINC000371185984 557100766 /nfs/dbraw/zinc/10/07/66/557100766.db2.gz VKFCJLXDDNFMAG-CQSZACIVSA-N 1 2 362.861 2.106 20 30 FEEDLO COc1ccc(C[N@@H+]2CCc3nnc(N)cc3C2)cc1OCCCC#N ZINC000371382181 557168023 /nfs/dbraw/zinc/16/80/23/557168023.db2.gz YDGOZNOOELYHAJ-UHFFFAOYSA-N 1 2 353.426 2.308 20 30 FEEDLO COc1ccc(C[N@H+]2CCc3nnc(N)cc3C2)cc1OCCCC#N ZINC000371382181 557168025 /nfs/dbraw/zinc/16/80/25/557168025.db2.gz YDGOZNOOELYHAJ-UHFFFAOYSA-N 1 2 353.426 2.308 20 30 FEEDLO Cc1cccn2c(CN3C[C@H](C#N)[C@]4(C3)c3ccccc3NC4=O)c[nH+]c12 ZINC000371454637 557190283 /nfs/dbraw/zinc/19/02/83/557190283.db2.gz AUTBFIPRXQHJES-YCRPNKLZSA-N 1 2 357.417 2.488 20 30 FEEDLO CC(=O)Nc1ccccc1C[N@@H+]1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000371470703 557190886 /nfs/dbraw/zinc/19/08/86/557190886.db2.gz NUJYTVJXQYGOFG-HRAATJIYSA-N 1 2 360.417 2.490 20 30 FEEDLO CC(=O)Nc1ccccc1C[N@H+]1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000371470703 557190890 /nfs/dbraw/zinc/19/08/90/557190890.db2.gz NUJYTVJXQYGOFG-HRAATJIYSA-N 1 2 360.417 2.490 20 30 FEEDLO C=CC[C@H](CO)NC(=O)N[C@H]1CC[N@H+](C2CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000371807660 557298951 /nfs/dbraw/zinc/29/89/51/557298951.db2.gz CHMGGXGCWWOFKZ-BVGQSLNGSA-N 1 2 365.424 2.479 20 30 FEEDLO C=CC[C@H](CO)NC(=O)N[C@H]1CC[N@@H+](C2CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000371807660 557298955 /nfs/dbraw/zinc/29/89/55/557298955.db2.gz CHMGGXGCWWOFKZ-BVGQSLNGSA-N 1 2 365.424 2.479 20 30 FEEDLO N#Cc1ccc(OC2CN(C(=O)NCc3ccnc(-n4cc[nH+]c4)c3)C2)cc1 ZINC000372074492 557373279 /nfs/dbraw/zinc/37/32/79/557373279.db2.gz WFVDDSMPWGWLFX-UHFFFAOYSA-N 1 2 374.404 2.112 20 30 FEEDLO C=CC[C@@H](C(=O)NC[C@]1([NH+]2CCOCC2)CCCOC1)c1ccccc1 ZINC000372294103 557432023 /nfs/dbraw/zinc/43/20/23/557432023.db2.gz IDJRBOXKPAGIMN-TZIWHRDSSA-N 1 2 358.482 2.344 20 30 FEEDLO C[N@H+](CCC#N)C[C@H](O)CNc1ccc(NC(=O)NCc2ccco2)cc1 ZINC000519700632 562140575 /nfs/dbraw/zinc/14/05/75/562140575.db2.gz UQWLDOLHHRQXOS-QGZVFWFLSA-N 1 2 371.441 2.220 20 30 FEEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1ccc(NC(=O)NCc2ccco2)cc1 ZINC000519700632 562140576 /nfs/dbraw/zinc/14/05/76/562140576.db2.gz UQWLDOLHHRQXOS-QGZVFWFLSA-N 1 2 371.441 2.220 20 30 FEEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1ccc(NC(=O)NCc2ccco2)cc1 ZINC000519700610 562140666 /nfs/dbraw/zinc/14/06/66/562140666.db2.gz UQWLDOLHHRQXOS-KRWDZBQOSA-N 1 2 371.441 2.220 20 30 FEEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1ccc(NC(=O)NCc2ccco2)cc1 ZINC000519700610 562140667 /nfs/dbraw/zinc/14/06/67/562140667.db2.gz UQWLDOLHHRQXOS-KRWDZBQOSA-N 1 2 371.441 2.220 20 30 FEEDLO CCc1noc([C@H]2C[C@H](O)C[N@@H+]2Cc2ccc(N(C)CCC#N)cc2)n1 ZINC000373492304 557704209 /nfs/dbraw/zinc/70/42/09/557704209.db2.gz DDBGMCOJJDYNGL-DLBZAZTESA-N 1 2 355.442 2.290 20 30 FEEDLO CCc1noc([C@H]2C[C@H](O)C[N@H+]2Cc2ccc(N(C)CCC#N)cc2)n1 ZINC000373492304 557704212 /nfs/dbraw/zinc/70/42/12/557704212.db2.gz DDBGMCOJJDYNGL-DLBZAZTESA-N 1 2 355.442 2.290 20 30 FEEDLO COC(=O)[C@@H]1C[N@H+](CC(=O)Nc2sccc2C#N)C[C@H]1c1ccccc1 ZINC000374074851 557819174 /nfs/dbraw/zinc/81/91/74/557819174.db2.gz NXKIINQTGYKFLL-JKSUJKDBSA-N 1 2 369.446 2.447 20 30 FEEDLO COC(=O)[C@@H]1C[N@@H+](CC(=O)Nc2sccc2C#N)C[C@H]1c1ccccc1 ZINC000374074851 557819179 /nfs/dbraw/zinc/81/91/79/557819179.db2.gz NXKIINQTGYKFLL-JKSUJKDBSA-N 1 2 369.446 2.447 20 30 FEEDLO N#CC1(c2ccccn2)CC[NH+]([C@@H]2CCN(CC(F)(F)F)C2=O)CC1 ZINC000374291287 557858964 /nfs/dbraw/zinc/85/89/64/557858964.db2.gz JOTMCWGBUPXBME-CYBMUJFWSA-N 1 2 352.360 2.102 20 30 FEEDLO Cc1nn(CCC#N)c(C)c1CCC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000374331687 557867277 /nfs/dbraw/zinc/86/72/77/557867277.db2.gz LMEPLFJDXDZPHF-INIZCTEOSA-N 1 2 354.458 2.096 20 30 FEEDLO COc1cccc(OCC[N@@H+]2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)c1 ZINC000374390453 557877412 /nfs/dbraw/zinc/87/74/12/557877412.db2.gz WLMBVWNAIMOFOD-QVKFZJNVSA-N 1 2 363.417 2.419 20 30 FEEDLO COc1cccc(OCC[N@H+]2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)c1 ZINC000374390453 557877414 /nfs/dbraw/zinc/87/74/14/557877414.db2.gz WLMBVWNAIMOFOD-QVKFZJNVSA-N 1 2 363.417 2.419 20 30 FEEDLO N#Cc1ccc(N2CCC[N@H+](Cc3cn(Cc4cccnc4)nn3)CC2)cc1 ZINC000374945044 557954808 /nfs/dbraw/zinc/95/48/08/557954808.db2.gz LJMNUYXELOXTFR-UHFFFAOYSA-N 1 2 373.464 2.305 20 30 FEEDLO N#Cc1ccc(N2CCC[N@@H+](Cc3cn(Cc4cccnc4)nn3)CC2)cc1 ZINC000374945044 557954810 /nfs/dbraw/zinc/95/48/10/557954810.db2.gz LJMNUYXELOXTFR-UHFFFAOYSA-N 1 2 373.464 2.305 20 30 FEEDLO C#Cc1cc(F)c(NC(=O)C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)c(F)c1 ZINC000375000365 557962269 /nfs/dbraw/zinc/96/22/69/557962269.db2.gz IYWJSOOZUAFPJC-KRWDZBQOSA-N 1 2 369.371 2.188 20 30 FEEDLO C#Cc1cc(F)c(NC(=O)C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)c(F)c1 ZINC000375000365 557962270 /nfs/dbraw/zinc/96/22/70/557962270.db2.gz IYWJSOOZUAFPJC-KRWDZBQOSA-N 1 2 369.371 2.188 20 30 FEEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCC[C@@]2(CNC(=O)O2)C1 ZINC000375572769 558051018 /nfs/dbraw/zinc/05/10/18/558051018.db2.gz SSCRJFIPUNXEPZ-AUUYWEPGSA-N 1 2 374.416 2.035 20 30 FEEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCC[C@@]2(CNC(=O)O2)C1 ZINC000375572769 558051020 /nfs/dbraw/zinc/05/10/20/558051020.db2.gz SSCRJFIPUNXEPZ-AUUYWEPGSA-N 1 2 374.416 2.035 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCO[C@]3(CCCOC3)C2)c1 ZINC000375690922 558068230 /nfs/dbraw/zinc/06/82/30/558068230.db2.gz RLBHWSANHAQTTK-OAQYLSRUSA-N 1 2 371.481 2.432 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCO[C@]3(CCCOC3)C2)c1 ZINC000375690922 558068231 /nfs/dbraw/zinc/06/82/31/558068231.db2.gz RLBHWSANHAQTTK-OAQYLSRUSA-N 1 2 371.481 2.432 20 30 FEEDLO C=C(Br)Cn1nnc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000375785709 558079458 /nfs/dbraw/zinc/07/94/58/558079458.db2.gz BQLZIVKLEUEFLX-AWEZNQCLSA-N 1 2 364.247 2.155 20 30 FEEDLO C=C(Br)Cn1nnc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000375785709 558079459 /nfs/dbraw/zinc/07/94/59/558079459.db2.gz BQLZIVKLEUEFLX-AWEZNQCLSA-N 1 2 364.247 2.155 20 30 FEEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000521491841 562177503 /nfs/dbraw/zinc/17/75/03/562177503.db2.gz WXNRGJXFQNRMLH-HNNXBMFYSA-N 1 2 369.421 2.181 20 30 FEEDLO C[C@H]1COCC[N@H+]1CCNC(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000521491841 562177504 /nfs/dbraw/zinc/17/75/04/562177504.db2.gz WXNRGJXFQNRMLH-HNNXBMFYSA-N 1 2 369.421 2.181 20 30 FEEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000522066576 562190888 /nfs/dbraw/zinc/19/08/88/562190888.db2.gz NCRGIVJFRAZGHH-OAHLLOKOSA-N 1 2 366.421 2.196 20 30 FEEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000522066576 562190889 /nfs/dbraw/zinc/19/08/89/562190889.db2.gz NCRGIVJFRAZGHH-OAHLLOKOSA-N 1 2 366.421 2.196 20 30 FEEDLO COC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000377710265 558403025 /nfs/dbraw/zinc/40/30/25/558403025.db2.gz WOXGEUYBJZZKMB-OAHLLOKOSA-N 1 2 352.316 2.133 20 30 FEEDLO COC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000377710265 558403028 /nfs/dbraw/zinc/40/30/28/558403028.db2.gz WOXGEUYBJZZKMB-OAHLLOKOSA-N 1 2 352.316 2.133 20 30 FEEDLO CCc1noc([C@@]2(O)CC[N@H+](Cc3ccc(F)c(C#N)c3Cl)C2)n1 ZINC000377836173 558431972 /nfs/dbraw/zinc/43/19/72/558431972.db2.gz ZISXKKRNGOFYEO-MRXNPFEDSA-N 1 2 350.781 2.390 20 30 FEEDLO CCc1noc([C@@]2(O)CC[N@@H+](Cc3ccc(F)c(C#N)c3Cl)C2)n1 ZINC000377836173 558431975 /nfs/dbraw/zinc/43/19/75/558431975.db2.gz ZISXKKRNGOFYEO-MRXNPFEDSA-N 1 2 350.781 2.390 20 30 FEEDLO N#Cc1ccc(OCC(=O)N(CC[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000522727567 562202863 /nfs/dbraw/zinc/20/28/63/562202863.db2.gz PTDJMBFGZPTBES-UHFFFAOYSA-N 1 2 365.433 2.302 20 30 FEEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCCN(c3cncc(F)c3)CC2)cc1 ZINC000378302001 558523974 /nfs/dbraw/zinc/52/39/74/558523974.db2.gz SDADNHZNJNACOG-UHFFFAOYSA-N 1 2 353.401 2.243 20 30 FEEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCCN(c3cncc(F)c3)CC2)cc1 ZINC000378302001 558523976 /nfs/dbraw/zinc/52/39/76/558523976.db2.gz SDADNHZNJNACOG-UHFFFAOYSA-N 1 2 353.401 2.243 20 30 FEEDLO Cc1cc(Nc2ccn(CC[NH+]3CCOCC3)n2)c(C#N)cc1[N+](=O)[O-] ZINC000413144829 559082497 /nfs/dbraw/zinc/08/24/97/559082497.db2.gz ZBIILDWWCNUPTR-UHFFFAOYSA-N 1 2 356.386 2.047 20 30 FEEDLO C=CC[C@H](Cc1ccccc1)NC(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000413822878 559132925 /nfs/dbraw/zinc/13/29/25/559132925.db2.gz LSDUXYKCOLQXAH-LJQANCHMSA-N 1 2 367.497 2.435 20 30 FEEDLO N#Cc1cc(C(=O)N2CCN(c3cc(C(F)(F)F)cc[nH+]3)CC2)ccn1 ZINC000527255990 562282556 /nfs/dbraw/zinc/28/25/56/562282556.db2.gz AWOPCZSISHADDR-UHFFFAOYSA-N 1 2 361.327 2.329 20 30 FEEDLO CC(C)[N@@H+]1CC[C@H](NS(=O)(=O)[C@H](C)C#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000416458346 559314439 /nfs/dbraw/zinc/31/44/39/559314439.db2.gz QAWOBBZNYFNXHH-RLCCDNCMSA-N 1 2 357.426 2.320 20 30 FEEDLO CC(C)[N@H+]1CC[C@H](NS(=O)(=O)[C@H](C)C#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000416458346 559314440 /nfs/dbraw/zinc/31/44/40/559314440.db2.gz QAWOBBZNYFNXHH-RLCCDNCMSA-N 1 2 357.426 2.320 20 30 FEEDLO Cc1[nH+]c2cc(CNS(=O)(=O)c3ccc(C#N)nc3)ccc2n1C1CC1 ZINC000416479667 559316379 /nfs/dbraw/zinc/31/63/79/559316379.db2.gz LKNSTPROZBKWJX-UHFFFAOYSA-N 1 2 367.434 2.425 20 30 FEEDLO C=CCC[C@@H]1NC(=O)N(C[C@H](c2ccc(C)cc2)[NH+]2CCOCC2)C1=O ZINC000419954541 559466219 /nfs/dbraw/zinc/46/62/19/559466219.db2.gz REYIBUBXFYRKGX-ZWKOTPCHSA-N 1 2 357.454 2.255 20 30 FEEDLO C[C@@H]1C[C@H](C(=O)OC(C)(C)C)C[N@@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000421031335 559520672 /nfs/dbraw/zinc/52/06/72/559520672.db2.gz WDSGYNQZPXZQPP-XOKHGSTOSA-N 1 2 357.454 2.384 20 30 FEEDLO C[C@@H]1C[C@H](C(=O)OC(C)(C)C)C[N@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000421031335 559520673 /nfs/dbraw/zinc/52/06/73/559520673.db2.gz WDSGYNQZPXZQPP-XOKHGSTOSA-N 1 2 357.454 2.384 20 30 FEEDLO Cc1c(Cl)c(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)nn1C ZINC000421734436 559551145 /nfs/dbraw/zinc/55/11/45/559551145.db2.gz DAVCLQIFIGHSSY-UHFFFAOYSA-N 1 2 357.845 2.212 20 30 FEEDLO Cc1ccc([C@H](OC[C@H](O)C[NH+]2CC(O)(CC#N)C2)c2ccccc2)cc1 ZINC000424129306 559655581 /nfs/dbraw/zinc/65/55/81/559655581.db2.gz CYBAOAFYOMIORS-NHCUHLMSSA-N 1 2 366.461 2.422 20 30 FEEDLO C=C(C)Cn1c([C@@H]2CCCS2)nnc1N(C)CC[NH+]1CCOCC1 ZINC000424236610 559658925 /nfs/dbraw/zinc/65/89/25/559658925.db2.gz FWYLVYWSLUIDBW-HNNXBMFYSA-N 1 2 351.520 2.191 20 30 FEEDLO C=C(C)C(C)(C)C(=O)N1CC[NH+](CCNC(=O)c2ccc(OC)cc2)CC1 ZINC000424659776 559672735 /nfs/dbraw/zinc/67/27/35/559672735.db2.gz IPFIHFKFQPOHKW-UHFFFAOYSA-N 1 2 373.497 2.172 20 30 FEEDLO C=CCN1CC[C@@H](N(C)C(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)C1=O ZINC000425286329 559694791 /nfs/dbraw/zinc/69/47/91/559694791.db2.gz HLRJHIJINSYLAY-DLBZAZTESA-N 1 2 352.438 2.177 20 30 FEEDLO C=CCn1cc(C[NH2+]Cc2ccc(C(=O)OC)cc2Br)nn1 ZINC000425360504 559698216 /nfs/dbraw/zinc/69/82/16/559698216.db2.gz XKNLQLUZEHSZTG-UHFFFAOYSA-N 1 2 365.231 2.303 20 30 FEEDLO C=CC[N@@H+](CC[C@H](C(=O)OC)c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000425410933 559700722 /nfs/dbraw/zinc/70/07/22/559700722.db2.gz CEUBHMVALZMUMI-IRXDYDNUSA-N 1 2 351.468 2.008 20 30 FEEDLO C=CC[N@H+](CC[C@H](C(=O)OC)c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000425410933 559700723 /nfs/dbraw/zinc/70/07/23/559700723.db2.gz CEUBHMVALZMUMI-IRXDYDNUSA-N 1 2 351.468 2.008 20 30 FEEDLO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000426426219 559734348 /nfs/dbraw/zinc/73/43/48/559734348.db2.gz VSFXWPFWTYGFCP-OAHLLOKOSA-N 1 2 360.401 2.071 20 30 FEEDLO CNS(=O)(=O)C[C@H]1CCC[N@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000426426219 559734349 /nfs/dbraw/zinc/73/43/49/559734349.db2.gz VSFXWPFWTYGFCP-OAHLLOKOSA-N 1 2 360.401 2.071 20 30 FEEDLO CCC[N@H+](CC(N)=O)CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC000429126759 559791412 /nfs/dbraw/zinc/79/14/12/559791412.db2.gz IPBRBQKOTKLBJA-UHFFFAOYSA-N 1 2 350.850 2.092 20 30 FEEDLO CCC[N@@H+](CC(N)=O)CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC000429126759 559791413 /nfs/dbraw/zinc/79/14/13/559791413.db2.gz IPBRBQKOTKLBJA-UHFFFAOYSA-N 1 2 350.850 2.092 20 30 FEEDLO COC(=O)C[C@](C)([NH2+]CC(=O)N(C)C1(C#N)CCCCC1)c1ccccn1 ZINC000429682929 559803878 /nfs/dbraw/zinc/80/38/78/559803878.db2.gz JZLHNSVAKXABAL-IBGZPJMESA-N 1 2 372.469 2.134 20 30 FEEDLO CN([C@H](c1[nH]cc[nH+]1)c1ccccc1)S(=O)(=O)c1cccnc1C#N ZINC000432255841 559854884 /nfs/dbraw/zinc/85/48/84/559854884.db2.gz AEBOIUZTTMZFMV-INIZCTEOSA-N 1 2 353.407 2.086 20 30 FEEDLO Cc1ncc(S(=O)(=O)N(C)[C@@H](c2[nH]cc[nH+]2)c2ccccc2)cc1C#N ZINC000432271971 559855201 /nfs/dbraw/zinc/85/52/01/559855201.db2.gz SUFNOFOXKWIFPU-QGZVFWFLSA-N 1 2 367.434 2.395 20 30 FEEDLO CCN(C[C@H](C)C#N)S(=O)(=O)N(C)[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000432279267 559855414 /nfs/dbraw/zinc/85/54/14/559855414.db2.gz CQYBMBUHXVIWDE-GDBMZVCRSA-N 1 2 361.471 2.157 20 30 FEEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)c(Cl)c1 ZINC000434741344 559908256 /nfs/dbraw/zinc/90/82/56/559908256.db2.gz DRUMZQSWFISAEO-OAHLLOKOSA-N 1 2 353.875 2.212 20 30 FEEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)c(Cl)c1 ZINC000434741344 559908257 /nfs/dbraw/zinc/90/82/57/559908257.db2.gz DRUMZQSWFISAEO-OAHLLOKOSA-N 1 2 353.875 2.212 20 30 FEEDLO N#Cc1ccnc(NC(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)c1 ZINC000436016658 559933678 /nfs/dbraw/zinc/93/36/78/559933678.db2.gz STTVKTAKLDNHBJ-UHFFFAOYSA-N 1 2 360.377 2.431 20 30 FEEDLO CS(=O)(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC000437434794 559964534 /nfs/dbraw/zinc/96/45/34/559964534.db2.gz NTCMTWYKTLJHHY-CQSZACIVSA-N 1 2 373.425 2.063 20 30 FEEDLO CS(=O)(=O)NC[C@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC000437434794 559964535 /nfs/dbraw/zinc/96/45/35/559964535.db2.gz NTCMTWYKTLJHHY-CQSZACIVSA-N 1 2 373.425 2.063 20 30 FEEDLO CO[C@@H]1C[C@H](NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1(C)C ZINC000440242096 560007380 /nfs/dbraw/zinc/00/73/80/560007380.db2.gz MNGCBLOTRJNGLP-ZWKOTPCHSA-N 1 2 356.470 2.199 20 30 FEEDLO C=CCSCCNC(=O)N1CC[C@@](C)([NH2+]CC(=O)OC(C)(C)C)C1 ZINC000441095130 560023676 /nfs/dbraw/zinc/02/36/76/560023676.db2.gz ZSKHJDWHNUXIPM-QGZVFWFLSA-N 1 2 357.520 2.011 20 30 FEEDLO C=C[C@](C)(CCOC)C(=O)N1CC[C@@](C)([NH2+]CC(=O)OC(C)(C)C)C1 ZINC000442838028 560059062 /nfs/dbraw/zinc/05/90/62/560059062.db2.gz OUBSJMFDNGVNBC-RTBURBONSA-N 1 2 354.491 2.138 20 30 FEEDLO Cc1ccn2cc(CNC(=O)C(=O)Nc3cc(C#N)ccc3Cl)[nH+]c2c1 ZINC000447260971 560158978 /nfs/dbraw/zinc/15/89/78/560158978.db2.gz QLHNFEBWYBFCPU-UHFFFAOYSA-N 1 2 367.796 2.423 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1 ZINC000448627402 560192862 /nfs/dbraw/zinc/19/28/62/560192862.db2.gz IZMVCLRQYMPIQX-SQNIBIBYSA-N 1 2 371.437 2.234 20 30 FEEDLO C/C=C\COc1cccc(CC(=O)N(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000448834323 560201649 /nfs/dbraw/zinc/20/16/49/560201649.db2.gz GPSPUDXVCOSKGU-IHWYPQMZSA-N 1 2 371.481 2.258 20 30 FEEDLO C=CC[N@@H+](Cc1nccnc1OC)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000449025077 560213037 /nfs/dbraw/zinc/21/30/37/560213037.db2.gz GDBRKPYTFYUNOZ-AWEZNQCLSA-N 1 2 351.414 2.210 20 30 FEEDLO C=CC[N@H+](Cc1nccnc1OC)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000449025077 560213038 /nfs/dbraw/zinc/21/30/38/560213038.db2.gz GDBRKPYTFYUNOZ-AWEZNQCLSA-N 1 2 351.414 2.210 20 30 FEEDLO CN(C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C)c1cccc(C#N)c1[N+](=O)[O-] ZINC000450465498 560263124 /nfs/dbraw/zinc/26/31/24/560263124.db2.gz FOLKEXYASPJNLF-GJZGRUSLSA-N 1 2 372.404 2.249 20 30 FEEDLO CCO[C@H]1CC[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C[C@H]1C ZINC000451545270 560313700 /nfs/dbraw/zinc/31/37/00/560313700.db2.gz QXCJJXOTSBVANK-QAPCUYQASA-N 1 2 367.453 2.429 20 30 FEEDLO CCO[C@H]1CC[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C[C@H]1C ZINC000451545270 560313701 /nfs/dbraw/zinc/31/37/01/560313701.db2.gz QXCJJXOTSBVANK-QAPCUYQASA-N 1 2 367.453 2.429 20 30 FEEDLO CN(C[C@@H]1OCC[N@H+](C)[C@H]1c1ccccc1)C(=O)c1ccc(C#N)n1C ZINC000451622231 560317794 /nfs/dbraw/zinc/31/77/94/560317794.db2.gz DBTCUIJHXPJWER-OALUTQOASA-N 1 2 352.438 2.041 20 30 FEEDLO CN(C[C@@H]1OCC[N@@H+](C)[C@H]1c1ccccc1)C(=O)c1ccc(C#N)n1C ZINC000451622231 560317795 /nfs/dbraw/zinc/31/77/95/560317795.db2.gz DBTCUIJHXPJWER-OALUTQOASA-N 1 2 352.438 2.041 20 30 FEEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1sc(C(C)(C)C)cc1C#N ZINC000453592903 560390171 /nfs/dbraw/zinc/39/01/71/560390171.db2.gz ILTQVJQZWNKARG-LLVKDONJSA-N 1 2 359.455 2.257 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1NC(=O)C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000453960894 560416948 /nfs/dbraw/zinc/41/69/48/560416948.db2.gz ZGJPAJCZGJWGME-PBHICJAKSA-N 1 2 368.437 2.161 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1NC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000455405216 560481028 /nfs/dbraw/zinc/48/10/28/560481028.db2.gz GYEXSAAFZADWHV-CVEARBPZSA-N 1 2 359.474 2.084 20 30 FEEDLO CCCn1ncc(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)c1C1CC1 ZINC000455828704 560496482 /nfs/dbraw/zinc/49/64/82/560496482.db2.gz LTNSZMJXKWGAPH-UHFFFAOYSA-N 1 2 374.489 2.250 20 30 FEEDLO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N[C@H]3C[C@H](C)n4cc[nH+]c43)C2)n1 ZINC000456441658 560520597 /nfs/dbraw/zinc/52/05/97/560520597.db2.gz ZIBFEXDDPLZKPB-XIRDDKMYSA-N 1 2 364.453 2.497 20 30 FEEDLO Cc1cc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)ncc1C#N ZINC000457472183 560568946 /nfs/dbraw/zinc/56/89/46/560568946.db2.gz ZNIIDEBOIPAORN-GASCZTMLSA-N 1 2 365.437 2.200 20 30 FEEDLO O=C(NCC#Cc1ccccc1)N(CC[NH+]1CCOCC1)Cc1ccco1 ZINC000457587951 560576567 /nfs/dbraw/zinc/57/65/67/560576567.db2.gz IOCIKCOLLULHKT-UHFFFAOYSA-N 1 2 367.449 2.175 20 30 FEEDLO CC(C)(CC#N)CNC(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000457979154 560597816 /nfs/dbraw/zinc/59/78/16/560597816.db2.gz DPVDBJSGGBJZLU-UHFFFAOYSA-N 1 2 374.485 2.137 20 30 FEEDLO Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1[NH2+]Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459414005 560685290 /nfs/dbraw/zinc/68/52/90/560685290.db2.gz NWJOROAPESQAKN-YJBOKZPZSA-N 1 2 355.398 2.437 20 30 FEEDLO CCCN(CC(=O)Nc1ccccc1C)C(=O)C[NH2+][C@@H]1CCC[C@H]1C#N ZINC000459460241 560687530 /nfs/dbraw/zinc/68/75/30/560687530.db2.gz JCMVRJVGWPJVMM-FUHWJXTLSA-N 1 2 356.470 2.454 20 30 FEEDLO C=C(C)CN(CC)C(=O)C(=O)N(C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000459822401 560710738 /nfs/dbraw/zinc/71/07/38/560710738.db2.gz OLPSRJKIHIPJDL-UHFFFAOYSA-N 1 2 354.454 2.314 20 30 FEEDLO C=CCCCN(C)C(=O)C(=O)N1CC[NH+](Cc2ccc(OCC)cc2)CC1 ZINC000459886700 560716801 /nfs/dbraw/zinc/71/68/01/560716801.db2.gz PBUSJACVFWWVEL-UHFFFAOYSA-N 1 2 373.497 2.154 20 30 FEEDLO Cc1ccn2cc(CNC(=O)N3CC(Oc4ccc(C#N)cc4)C3)[nH+]c2c1 ZINC000462126462 560798389 /nfs/dbraw/zinc/79/83/89/560798389.db2.gz DWNWTKKZHZHYDO-UHFFFAOYSA-N 1 2 361.405 2.487 20 30 FEEDLO COc1cc(CNC(=O)N[C@@H]2CCO[C@H](c3c[nH+]cn3C)C2)ccc1C#N ZINC000462473142 560811438 /nfs/dbraw/zinc/81/14/38/560811438.db2.gz NHFCBVLHBLHAFZ-QAPCUYQASA-N 1 2 369.425 2.020 20 30 FEEDLO COc1cc(C[NH+]2CCN(c3cccc(C#N)n3)CC2)c([N+](=O)[O-])cc1F ZINC000464498408 560843382 /nfs/dbraw/zinc/84/33/82/560843382.db2.gz PYSAMLVERIQYOS-UHFFFAOYSA-N 1 2 371.372 2.331 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Nc1cc(Cl)c(Cl)cn1 ZINC000466682529 560892818 /nfs/dbraw/zinc/89/28/18/560892818.db2.gz YWZHXICYBQWCQS-UHFFFAOYSA-N 1 2 372.256 2.468 20 30 FEEDLO C[C@@H](C(=O)NC1(C#N)CCC1)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000469014643 560944725 /nfs/dbraw/zinc/94/47/25/560944725.db2.gz RGUFOPAAQRMMFU-HNNXBMFYSA-N 1 2 360.889 2.409 20 30 FEEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[NH+]1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000469014643 560944726 /nfs/dbraw/zinc/94/47/26/560944726.db2.gz RGUFOPAAQRMMFU-HNNXBMFYSA-N 1 2 360.889 2.409 20 30 FEEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+](C)Cc1cc(Br)cn1C ZINC000469729716 560963153 /nfs/dbraw/zinc/96/31/53/560963153.db2.gz SPWFDGKFZZQYQB-LLVKDONJSA-N 1 2 353.264 2.170 20 30 FEEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)Cc1cc(Br)cn1C ZINC000469729716 560963154 /nfs/dbraw/zinc/96/31/54/560963154.db2.gz SPWFDGKFZZQYQB-LLVKDONJSA-N 1 2 353.264 2.170 20 30 FEEDLO N#CC[C@H](CC(=O)N1CC[C@H](OCC[NH+]2CCOCC2)C1)c1ccccc1 ZINC000476338765 561116949 /nfs/dbraw/zinc/11/69/49/561116949.db2.gz ZZEBGKKZMKFXOU-UXHICEINSA-N 1 2 371.481 2.024 20 30 FEEDLO O=C1c2ccccc2C(=O)N1CC#CC[N@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000528509760 562333296 /nfs/dbraw/zinc/33/32/96/562333296.db2.gz NTHWSUOIULKHPE-HNNXBMFYSA-N 1 2 368.824 2.083 20 30 FEEDLO O=C1c2ccccc2C(=O)N1CC#CC[N@@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000528509760 562333297 /nfs/dbraw/zinc/33/32/97/562333297.db2.gz NTHWSUOIULKHPE-HNNXBMFYSA-N 1 2 368.824 2.083 20 30 FEEDLO CC1(C)C[N@H+](C[C@@H](O)COc2ccccc2C#N)C[C@@H](C(F)(F)F)O1 ZINC000528511646 562333368 /nfs/dbraw/zinc/33/33/68/562333368.db2.gz GGVUGVNYKDHFKX-HIFRSBDPSA-N 1 2 358.360 2.340 20 30 FEEDLO CC1(C)C[N@@H+](C[C@@H](O)COc2ccccc2C#N)C[C@@H](C(F)(F)F)O1 ZINC000528511646 562333369 /nfs/dbraw/zinc/33/33/69/562333369.db2.gz GGVUGVNYKDHFKX-HIFRSBDPSA-N 1 2 358.360 2.340 20 30 FEEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)cc1Cl ZINC000528783897 562347516 /nfs/dbraw/zinc/34/75/16/562347516.db2.gz IEUKXEQVFXXWNQ-XMQCVEROSA-N 1 2 351.859 2.136 20 30 FEEDLO N#Cc1ccc(NC(=O)C[N@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)cc1Cl ZINC000528783897 562347517 /nfs/dbraw/zinc/34/75/17/562347517.db2.gz IEUKXEQVFXXWNQ-XMQCVEROSA-N 1 2 351.859 2.136 20 30 FEEDLO N#Cc1ccc([C@H](C(N)=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)cc1 ZINC000532964250 562493947 /nfs/dbraw/zinc/49/39/47/562493947.db2.gz BLQFFEKWROKXQP-ANIGNSTFSA-N 1 2 360.461 2.416 20 30 FEEDLO C=C1CC[NH+](CC(=O)Nc2cccc(S(=O)(=O)N(CC)CC)c2)CC1 ZINC000533419886 562508203 /nfs/dbraw/zinc/50/82/03/562508203.db2.gz UXTGBHVDIGXQNT-UHFFFAOYSA-N 1 2 365.499 2.308 20 30 FEEDLO CN(Cc1cccc(C#N)c1)C(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000537019407 562584169 /nfs/dbraw/zinc/58/41/69/562584169.db2.gz XJXOVMBPZMSYGE-UHFFFAOYSA-N 1 2 350.422 2.058 20 30 FEEDLO C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602854613 568002094 /nfs/dbraw/zinc/00/20/94/568002094.db2.gz CGYZOHSKBSZIGY-HRDLGTKASA-N 1 2 358.530 2.378 20 30 FEEDLO C[C@@H](C(=O)Nc1ccc2c(c1)OCCCO2)[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602856095 568002379 /nfs/dbraw/zinc/00/23/79/568002379.db2.gz KAEYJBQFVWAECE-XHSDSOJGSA-N 1 2 372.469 2.093 20 30 FEEDLO C[C@@H](C(=O)Nc1ccc2c(c1)OCCCO2)[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602856095 568002380 /nfs/dbraw/zinc/00/23/80/568002380.db2.gz KAEYJBQFVWAECE-XHSDSOJGSA-N 1 2 372.469 2.093 20 30 FEEDLO CC(C)c1ccc(CCNC(=O)C[NH+]2C[C@H](C)N(CC#N)[C@@H](C)C2)cc1 ZINC000602856571 568002536 /nfs/dbraw/zinc/00/25/36/568002536.db2.gz KWYHIFAZZZFACQ-ROUUACIJSA-N 1 2 356.514 2.387 20 30 FEEDLO C[C@@H]1C[N@@H+](CC(=O)N(C)[C@@H]2CCCc3ccccc32)C[C@H](C)N1CC#N ZINC000602857577 568002727 /nfs/dbraw/zinc/00/27/27/568002727.db2.gz SXRIYOPMGHLODS-FUHIMQAGSA-N 1 2 354.498 2.441 20 30 FEEDLO C[C@@H]1C[N@H+](CC(=O)N(C)[C@@H]2CCCc3ccccc32)C[C@H](C)N1CC#N ZINC000602857577 568002728 /nfs/dbraw/zinc/00/27/28/568002728.db2.gz SXRIYOPMGHLODS-FUHIMQAGSA-N 1 2 354.498 2.441 20 30 FEEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602858479 568003037 /nfs/dbraw/zinc/00/30/37/568003037.db2.gz BJUOMPAVZGQKMF-MGPQQGTHSA-N 1 2 359.861 2.457 20 30 FEEDLO Cc1cc(C)cc(OCCN(C)C(=O)C[NH+]2C[C@H](C)N(CC#N)[C@@H](C)C2)c1 ZINC000602864222 568007780 /nfs/dbraw/zinc/00/77/80/568007780.db2.gz QCDDRPBVONUPCT-OALUTQOASA-N 1 2 372.513 2.059 20 30 FEEDLO Cc1cc(N2CCCC2)ccc1NC(=O)C[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602867624 568008477 /nfs/dbraw/zinc/00/84/77/568008477.db2.gz ZCRYMXCAMBPDMD-ROUUACIJSA-N 1 2 369.513 2.452 20 30 FEEDLO CCCCOc1cccc(CNC(=O)C[N@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)c1 ZINC000602867574 568008591 /nfs/dbraw/zinc/00/85/91/568008591.db2.gz YNHLAEHBJOXMHJ-HDICACEKSA-N 1 2 372.513 2.400 20 30 FEEDLO CCCCOc1cccc(CNC(=O)C[N@@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)c1 ZINC000602867574 568008593 /nfs/dbraw/zinc/00/85/93/568008593.db2.gz YNHLAEHBJOXMHJ-HDICACEKSA-N 1 2 372.513 2.400 20 30 FEEDLO C[N@H+](CC(=O)NCc1ccccc1Cn1cccn1)[C@@H]1CCC[C@@H]1C#N ZINC000602980384 568036978 /nfs/dbraw/zinc/03/69/78/568036978.db2.gz PMKHXNZWQAFFMW-VQIMIIECSA-N 1 2 351.454 2.172 20 30 FEEDLO C[N@@H+](CC(=O)NCc1ccccc1Cn1cccn1)[C@@H]1CCC[C@@H]1C#N ZINC000602980384 568036979 /nfs/dbraw/zinc/03/69/79/568036979.db2.gz PMKHXNZWQAFFMW-VQIMIIECSA-N 1 2 351.454 2.172 20 30 FEEDLO C[C@H](CC#N)[NH2+]CC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000602861951 568049699 /nfs/dbraw/zinc/04/96/99/568049699.db2.gz IGEHXMOFRLHAOW-CYBMUJFWSA-N 1 2 354.376 2.246 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)Cn2cc(Cn3cc[nH+]c3)nn2)c1 ZINC000603186902 568071557 /nfs/dbraw/zinc/07/15/57/568071557.db2.gz KUQIZZNUMUKFBH-UHFFFAOYSA-N 1 2 363.425 2.087 20 30 FEEDLO C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000569535707 568406480 /nfs/dbraw/zinc/40/64/80/568406480.db2.gz WASZXGQXDMLIGF-DFEOGRTESA-N 1 2 369.513 2.405 20 30 FEEDLO C[C@H](Nc1[nH+]cnc2c1cnn2CCC#N)c1cccc(-c2nn[nH]n2)c1 ZINC000820461656 599354907 /nfs/dbraw/zinc/35/49/07/599354907.db2.gz OZQHLIMXFZTAPX-NSHDSACASA-N 1 2 360.385 2.093 20 30 FEEDLO N#Cc1cccc([C@@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)C(=O)[O-])c1 ZINC000833076152 601298939 /nfs/dbraw/zinc/29/89/39/601298939.db2.gz QTHGYQKXASDGPZ-HXUWFJFHSA-N 1 2 365.433 2.306 20 30 FEEDLO C#CC[N@@H+](CC)[C@H](C)C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCCC2 ZINC000819698397 606075219 /nfs/dbraw/zinc/07/52/19/606075219.db2.gz YLKULVOYLSVWDR-GFCCVEGCSA-N 1 2 372.498 2.479 20 30 FEEDLO C#CC[N@H+](CC)[C@H](C)C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCCC2 ZINC000819698397 606075225 /nfs/dbraw/zinc/07/52/25/606075225.db2.gz YLKULVOYLSVWDR-GFCCVEGCSA-N 1 2 372.498 2.479 20 30 FEEDLO C=CCN(C(=O)[C@@H](CC)[N@H+](C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000559267697 674534651 /nfs/dbraw/zinc/53/46/51/674534651.db2.gz RIYKBYDPFUATRN-QZTJIDSGSA-N 1 2 364.511 2.099 20 30 FEEDLO C=CCN(C(=O)[C@@H](CC)[N@@H+](C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000559267697 674534654 /nfs/dbraw/zinc/53/46/54/674534654.db2.gz RIYKBYDPFUATRN-QZTJIDSGSA-N 1 2 364.511 2.099 20 30 FEEDLO Cc1nc(-c2nn[nH]n2)c(N=NC(C)c2ccc(-n3cc[nH+]c3C)cc2)o1 ZINC000819782943 606338993 /nfs/dbraw/zinc/33/89/93/606338993.db2.gz RJOTXKCNNMCSSN-UHFFFAOYSA-N 1 2 363.385 2.493 20 30 FEEDLO C[C@H](C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)[NH+]1CCC(C)(C#N)CC1 ZINC000824045626 609141946 /nfs/dbraw/zinc/14/19/46/609141946.db2.gz NPFWIWNYHYTGCB-LLVKDONJSA-N 1 2 373.848 2.473 20 30 FEEDLO Clc1cc(N[NH+]=Cc2cnc(N3CCCC3)nc2)ccc1-c1nn[nH]n1 ZINC000826351229 609474334 /nfs/dbraw/zinc/47/43/34/609474334.db2.gz DOKLAMITQBTCSG-UHFFFAOYSA-N 1 2 369.820 2.356 20 30 FEEDLO CC[C@@H]1[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)CCN1c1snc(C)c1C#N ZINC001048767289 675014653 /nfs/dbraw/zinc/01/46/53/675014653.db2.gz RDDWMVRCXHACSQ-DZGCQCFKSA-N 1 2 358.471 2.071 20 30 FEEDLO C=C[C@](C)(O)CC(=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000576987016 671409004 /nfs/dbraw/zinc/40/90/04/671409004.db2.gz IPFAGMONCASNHU-SFHVURJKSA-N 1 2 352.862 2.190 20 30 FEEDLO C=CCC(CC=C)C(=O)N1CC[N@@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000121405862 671948571 /nfs/dbraw/zinc/94/85/71/671948571.db2.gz QRKQRDALSIIEDD-INIZCTEOSA-N 1 2 351.491 2.422 20 30 FEEDLO C=CCC(CC=C)C(=O)N1CC[N@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000121405862 671948572 /nfs/dbraw/zinc/94/85/72/671948572.db2.gz QRKQRDALSIIEDD-INIZCTEOSA-N 1 2 351.491 2.422 20 30 FEEDLO C=CCOCCNC(=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000679505148 672503245 /nfs/dbraw/zinc/50/32/45/672503245.db2.gz QSVHKZQZIXPWRU-UHFFFAOYSA-N 1 2 367.877 2.249 20 30 FEEDLO CCOC[C@@H](C(=O)OC)[N@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000591019886 672641741 /nfs/dbraw/zinc/64/17/41/672641741.db2.gz MTTGPTKTAVZLCM-HNNXBMFYSA-N 1 2 367.833 2.050 20 30 FEEDLO CCOC[C@@H](C(=O)OC)[N@@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000591019886 672641746 /nfs/dbraw/zinc/64/17/46/672641746.db2.gz MTTGPTKTAVZLCM-HNNXBMFYSA-N 1 2 367.833 2.050 20 30 FEEDLO C[N@H+]1Cc2ccccc2[C@H](NS(=O)(=O)Cc2ccc(CC#N)cc2)C1 ZINC000592039228 672739906 /nfs/dbraw/zinc/73/99/06/672739906.db2.gz UCQLUDMVWRHOKP-LJQANCHMSA-N 1 2 355.463 2.359 20 30 FEEDLO C[N@@H+]1Cc2ccccc2[C@H](NS(=O)(=O)Cc2ccc(CC#N)cc2)C1 ZINC000592039228 672739910 /nfs/dbraw/zinc/73/99/10/672739910.db2.gz UCQLUDMVWRHOKP-LJQANCHMSA-N 1 2 355.463 2.359 20 30 FEEDLO COC[C@H]1C[C@@H](O)C[N@@H+]1CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000593067569 672871346 /nfs/dbraw/zinc/87/13/46/672871346.db2.gz WFTYKARGJUIANC-RRFJBIMHSA-N 1 2 363.483 2.101 20 30 FEEDLO COC[C@H]1C[C@@H](O)C[N@H+]1CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000593067569 672871352 /nfs/dbraw/zinc/87/13/52/672871352.db2.gz WFTYKARGJUIANC-RRFJBIMHSA-N 1 2 363.483 2.101 20 30 FEEDLO CN(C)S(=O)(=O)c1ccc(C(=O)/C=C\c2c[nH+]c3ccccn23)cc1 ZINC000255316967 672888053 /nfs/dbraw/zinc/88/80/53/672888053.db2.gz VGYUNBAMMSTELZ-FLIBITNWSA-N 1 2 355.419 2.481 20 30 FEEDLO C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccn3cc[nH+]c3c2)cc1 ZINC000684820945 672968540 /nfs/dbraw/zinc/96/85/40/672968540.db2.gz IPQCDEUSTKUTFQ-UHFFFAOYSA-N 1 2 356.407 2.051 20 30 FEEDLO CCC(C)(C)[NH+]1CCN(S(=O)(=O)c2c(F)cc(C#N)cc2F)CC1 ZINC000594474345 673081014 /nfs/dbraw/zinc/08/10/14/673081014.db2.gz HZJKAVRKCJDEGL-UHFFFAOYSA-N 1 2 357.426 2.331 20 30 FEEDLO N#Cc1cnccc1SCC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000594907599 673177785 /nfs/dbraw/zinc/17/77/85/673177785.db2.gz FSUNTUKOOSZGEI-UHFFFAOYSA-N 1 2 358.492 2.451 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)NC[C@@H]2CC[N@@H+]2Cc2ccccc2)cc1F ZINC000595392636 673240882 /nfs/dbraw/zinc/24/08/82/673240882.db2.gz KFOQMUPGRZWWRU-INIZCTEOSA-N 1 2 359.426 2.250 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)NC[C@@H]2CC[N@H+]2Cc2ccccc2)cc1F ZINC000595392636 673240883 /nfs/dbraw/zinc/24/08/83/673240883.db2.gz KFOQMUPGRZWWRU-INIZCTEOSA-N 1 2 359.426 2.250 20 30 FEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@](O)(c1ccc(Cl)cc1)C(F)(F)F ZINC000730281441 673268562 /nfs/dbraw/zinc/26/85/62/673268562.db2.gz KMVFSWQSBPRHSC-GOEBONIOSA-N 1 2 374.790 2.304 20 30 FEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@](O)(c1ccc(Cl)cc1)C(F)(F)F ZINC000730281441 673268564 /nfs/dbraw/zinc/26/85/64/673268564.db2.gz KMVFSWQSBPRHSC-GOEBONIOSA-N 1 2 374.790 2.304 20 30 FEEDLO NC(=NOCc1cccnc1Cl)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000733191985 673402963 /nfs/dbraw/zinc/40/29/63/673402963.db2.gz VTBKFWYRSVIDNR-UHFFFAOYSA-N 1 2 360.845 2.404 20 30 FEEDLO N#CC1(CC(=O)N(CCn2cc[nH+]c2)C2CCSCC2)CCOCC1 ZINC000597640947 673495397 /nfs/dbraw/zinc/49/53/97/673495397.db2.gz MSLLJFVPOLVYEY-UHFFFAOYSA-N 1 2 362.499 2.318 20 30 FEEDLO N#Cc1ccc(CSCC(=O)N2CCC[C@@H]([NH+]3CCOCC3)C2)cc1 ZINC000597710058 673501463 /nfs/dbraw/zinc/50/14/63/673501463.db2.gz PTHQSASMRHQZOQ-GOSISDBHSA-N 1 2 359.495 2.115 20 30 FEEDLO N#Cc1ccc(Cl)c(S(=O)(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000613919898 676153542 /nfs/dbraw/zinc/15/35/42/676153542.db2.gz RFPZDZCHKSGJMQ-ZDUSSCGKSA-N 1 2 350.831 2.434 20 30 FEEDLO COc1cc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)sn1 ZINC000598639811 673593313 /nfs/dbraw/zinc/59/33/13/673593313.db2.gz JMKIOJXFYOFWOP-UHFFFAOYSA-N 1 2 356.451 2.371 20 30 FEEDLO COc1cc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)sn1 ZINC000598639811 673593318 /nfs/dbraw/zinc/59/33/18/673593318.db2.gz JMKIOJXFYOFWOP-UHFFFAOYSA-N 1 2 356.451 2.371 20 30 FEEDLO COCC[N@H+](C)Cc1cn(Cc2ccc(C#N)cc2Br)nn1 ZINC000603242534 673919820 /nfs/dbraw/zinc/91/98/20/673919820.db2.gz BLATXUSFODNLNG-UHFFFAOYSA-N 1 2 364.247 2.039 20 30 FEEDLO COCC[N@@H+](C)Cc1cn(Cc2ccc(C#N)cc2Br)nn1 ZINC000603242534 673919824 /nfs/dbraw/zinc/91/98/24/673919824.db2.gz BLATXUSFODNLNG-UHFFFAOYSA-N 1 2 364.247 2.039 20 30 FEEDLO Cc1nc(N2CCN(c3cc(C#N)c(Br)cn3)CC2)cc[nH+]1 ZINC000603339859 673925625 /nfs/dbraw/zinc/92/56/25/673925625.db2.gz TYBQDYADIXHYLO-UHFFFAOYSA-N 1 2 359.231 2.141 20 30 FEEDLO C#CCO[C@H](C)C(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000822279058 675475689 /nfs/dbraw/zinc/47/56/89/675475689.db2.gz WUPPTSQXLUQKOF-CQSZACIVSA-N 1 2 354.372 2.388 20 30 FEEDLO C[S@](=O)CC[NH+]1CCN(c2c(C#N)cnc3c(Cl)cccc32)CC1 ZINC000825770903 675668334 /nfs/dbraw/zinc/66/83/34/675668334.db2.gz SFAOEQROTOOFMX-DEOSSOPVSA-N 1 2 362.886 2.260 20 30 FEEDLO CC#CC[NH2+]Cc1cn(C[C@@H](O)COc2ccc(Cl)cc2Cl)nn1 ZINC000641195475 677196395 /nfs/dbraw/zinc/19/63/95/677196395.db2.gz BURAHDHFPVWQFU-CQSZACIVSA-N 1 2 369.252 2.138 20 30 FEEDLO C=CCC1(NS(=O)(=O)c2cccc3c2CC[N@@H+](C)C3)CCOCC1 ZINC000641607900 677211257 /nfs/dbraw/zinc/21/12/57/677211257.db2.gz DSQSTTWBMDNDCS-UHFFFAOYSA-N 1 2 350.484 2.078 20 30 FEEDLO C=CCC1(NS(=O)(=O)c2cccc3c2CC[N@H+](C)C3)CCOCC1 ZINC000641607900 677211258 /nfs/dbraw/zinc/21/12/58/677211258.db2.gz DSQSTTWBMDNDCS-UHFFFAOYSA-N 1 2 350.484 2.078 20 30 FEEDLO C#C[C@@H]1COCCN1C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000838535999 680699385 /nfs/dbraw/zinc/69/93/85/680699385.db2.gz OYDPEKGCHDPUQZ-XOKHGSTOSA-N 1 2 365.836 2.268 20 30 FEEDLO C#C[C@@H]1COCCN1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000838535999 680699386 /nfs/dbraw/zinc/69/93/86/680699386.db2.gz OYDPEKGCHDPUQZ-XOKHGSTOSA-N 1 2 365.836 2.268 20 30 FEEDLO CC(Cn1cc(Br)ccc1=O)=[NH+]n1cc(Br)cn1 ZINC000761827569 680732426 /nfs/dbraw/zinc/73/24/26/680732426.db2.gz GWLCPUDWSUTPGL-UHFFFAOYSA-N 1 2 374.036 2.494 20 30 FEEDLO N#Cc1csc(C[NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)n1 ZINC000839146132 680741531 /nfs/dbraw/zinc/74/15/31/680741531.db2.gz XKKAMYSZRLWXBN-UHFFFAOYSA-N 1 2 350.394 2.419 20 30 FEEDLO C=CC[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N(CCC)[C@H]2CCS(=O)(=O)C2)C1 ZINC000661379373 678472532 /nfs/dbraw/zinc/47/25/32/678472532.db2.gz XOQAQAYGUPEYQB-ZACQAIPSSA-N 1 2 356.532 2.089 20 30 FEEDLO C=CC[C@@H]1CCC[N@H+]([C@H](C)C(=O)N(CCC)[C@H]2CCS(=O)(=O)C2)C1 ZINC000661379373 678472535 /nfs/dbraw/zinc/47/25/35/678472535.db2.gz XOQAQAYGUPEYQB-ZACQAIPSSA-N 1 2 356.532 2.089 20 30 FEEDLO C#CC[N@@H+](CC(=O)Nc1ccc(I)cc1)C1CC1 ZINC000763955169 680796575 /nfs/dbraw/zinc/79/65/75/680796575.db2.gz JGSGHXHHPGQVMY-UHFFFAOYSA-N 1 2 354.191 2.327 20 30 FEEDLO C#CC[N@H+](CC(=O)Nc1ccc(I)cc1)C1CC1 ZINC000763955169 680796576 /nfs/dbraw/zinc/79/65/76/680796576.db2.gz JGSGHXHHPGQVMY-UHFFFAOYSA-N 1 2 354.191 2.327 20 30 FEEDLO C=CC[C@@H]1CCCN(C(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)C1 ZINC000668644024 679190977 /nfs/dbraw/zinc/19/09/77/679190977.db2.gz PVPDPAOVCXQBPG-OAHLLOKOSA-N 1 2 361.511 2.037 20 30 FEEDLO C=CC[C@@H]1CCCN(C(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)C1 ZINC000668644024 679190978 /nfs/dbraw/zinc/19/09/78/679190978.db2.gz PVPDPAOVCXQBPG-OAHLLOKOSA-N 1 2 361.511 2.037 20 30 FEEDLO C#CCCCS(=O)(=O)Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000840946838 680855769 /nfs/dbraw/zinc/85/57/69/680855769.db2.gz PLPJQTFBNQHHMU-HZPDHXFCSA-N 1 2 350.484 2.451 20 30 FEEDLO O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1N[NH2+]C=C1CC1(F)F ZINC000834913154 680281954 /nfs/dbraw/zinc/28/19/54/680281954.db2.gz VHLCSUHHRHJKBP-SNVBAGLBSA-N 1 2 374.369 2.432 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1Cc1c(C)nn(C)c1Cl ZINC001028141329 680370202 /nfs/dbraw/zinc/37/02/02/680370202.db2.gz BNAYKXJAXJTZGT-FMKPAKJESA-N 1 2 366.893 2.054 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1Cc1c(C)nn(C)c1Cl ZINC001028141329 680370203 /nfs/dbraw/zinc/37/02/03/680370203.db2.gz BNAYKXJAXJTZGT-FMKPAKJESA-N 1 2 366.893 2.054 20 30 FEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCO[C@H]2c2nccn2C)C1 ZINC001033166043 680419779 /nfs/dbraw/zinc/41/97/79/680419779.db2.gz RKVSPPLUMQPYKB-BZUAXINKSA-N 1 2 366.893 2.173 20 30 FEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCO[C@H]2c2nccn2C)C1 ZINC001033166043 680419780 /nfs/dbraw/zinc/41/97/80/680419780.db2.gz RKVSPPLUMQPYKB-BZUAXINKSA-N 1 2 366.893 2.173 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([N@@H+](C)[C@H](C)c2csnn2)CC1 ZINC000985662451 680467785 /nfs/dbraw/zinc/46/77/85/680467785.db2.gz WGQCBGVLJOXAEV-XPKDYRNWSA-N 1 2 350.488 2.113 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([N@H+](C)[C@H](C)c2csnn2)CC1 ZINC000985662451 680467792 /nfs/dbraw/zinc/46/77/92/680467792.db2.gz WGQCBGVLJOXAEV-XPKDYRNWSA-N 1 2 350.488 2.113 20 30 FEEDLO C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1Nc1nc(C#N)c(Cl)s1 ZINC001043580685 680589167 /nfs/dbraw/zinc/58/91/67/680589167.db2.gz WEFGAIQGFNVWHN-BXKDBHETSA-N 1 2 364.862 2.283 20 30 FEEDLO C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1Nc1nc(C#N)c(Cl)s1 ZINC001043580685 680589171 /nfs/dbraw/zinc/58/91/71/680589171.db2.gz WEFGAIQGFNVWHN-BXKDBHETSA-N 1 2 364.862 2.283 20 30 FEEDLO O=C(N[C@@H]1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)C1)[C@]12C[C@H]1COC2 ZINC001007373442 680638021 /nfs/dbraw/zinc/63/80/21/680638021.db2.gz GSYDLFAIAKIGER-HQRMLTQVSA-N 1 2 358.869 2.309 20 30 FEEDLO O=C(N[C@@H]1CCC[N@H+](CC#Cc2ccc(Cl)cc2)C1)[C@]12C[C@H]1COC2 ZINC001007373442 680638022 /nfs/dbraw/zinc/63/80/22/680638022.db2.gz GSYDLFAIAKIGER-HQRMLTQVSA-N 1 2 358.869 2.309 20 30 FEEDLO C=C(Br)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCO[C@H]2C2CC2)C1 ZINC001046504773 680650289 /nfs/dbraw/zinc/65/02/89/680650289.db2.gz KKKOGGUOOINCLL-YCPHGPKFSA-N 1 2 357.292 2.291 20 30 FEEDLO C=C(Br)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCO[C@H]2C2CC2)C1 ZINC001046504773 680650292 /nfs/dbraw/zinc/65/02/92/680650292.db2.gz KKKOGGUOOINCLL-YCPHGPKFSA-N 1 2 357.292 2.291 20 30 FEEDLO C#CCC[NH+]1CCN(C(=O)c2c(C(F)(F)F)nc3ccccn32)CC1 ZINC000841385270 680876212 /nfs/dbraw/zinc/87/62/12/680876212.db2.gz BPAHJTUIXZQDIJ-UHFFFAOYSA-N 1 2 350.344 2.134 20 30 FEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCOC2(C[NH+](CC[C@@H](C)F)C2)C1 ZINC001053464229 681098487 /nfs/dbraw/zinc/09/84/87/681098487.db2.gz HCNZCRGKNHMVGG-IKGGRYGDSA-N 1 2 354.466 2.019 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CCC[N@H+](Cc2nnc(C)s2)CC1 ZINC000948785622 681598134 /nfs/dbraw/zinc/59/81/34/681598134.db2.gz PEVILNTTWFIEDE-XHSDSOJGSA-N 1 2 364.515 2.251 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CCC[N@@H+](Cc2nnc(C)s2)CC1 ZINC000948785622 681598138 /nfs/dbraw/zinc/59/81/38/681598138.db2.gz PEVILNTTWFIEDE-XHSDSOJGSA-N 1 2 364.515 2.251 20 30 FEEDLO C#CCOc1cccc(Cl)c1CN1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000779156915 681685514 /nfs/dbraw/zinc/68/55/14/681685514.db2.gz CXTKVFVAHPFCFX-UHFFFAOYSA-N 1 2 358.873 2.403 20 30 FEEDLO C#CCC1(NC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)CCCCC1 ZINC000914327621 685504116 /nfs/dbraw/zinc/50/41/16/685504116.db2.gz QTAURQPJHCLUOF-LJQANCHMSA-N 1 2 365.543 2.220 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1snnc1C ZINC000960928985 682072603 /nfs/dbraw/zinc/07/26/03/682072603.db2.gz VFSLXGQGMGMVSR-ZOBUZTSGSA-N 1 2 364.515 2.251 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H]1C[N@H+](C)Cc1snnc1C ZINC000960928985 682072609 /nfs/dbraw/zinc/07/26/09/682072609.db2.gz VFSLXGQGMGMVSR-ZOBUZTSGSA-N 1 2 364.515 2.251 20 30 FEEDLO Cc1nn(-c2cc[nH+]cc2)cc1C=Nn1c(=S)[nH]nc1C(F)(F)F ZINC000783800993 682178469 /nfs/dbraw/zinc/17/84/69/682178469.db2.gz ZVZCJSQDOKWUSQ-UHFFFAOYSA-N 1 2 353.333 2.357 20 30 FEEDLO S=C(NCCc1ccccn1)NN=Cc1cc(-n2cc[nH+]c2)cs1 ZINC000783841036 682180996 /nfs/dbraw/zinc/18/09/96/682180996.db2.gz QMHKNEPWVLYYID-UHFFFAOYSA-N 1 2 356.480 2.370 20 30 FEEDLO C=CCSc1nc2ccccc2n1C[NH+]1CCN(C(=O)COC)CC1 ZINC000917464812 685532387 /nfs/dbraw/zinc/53/23/87/685532387.db2.gz OELNKDHVZWVJJJ-UHFFFAOYSA-N 1 2 360.483 2.063 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)C1C[NH+](Cc2cc(OC)ns2)C1 ZINC000970570242 682308044 /nfs/dbraw/zinc/30/80/44/682308044.db2.gz IHWPHAYNDQJYEK-NUTKFTJISA-N 1 2 365.499 2.069 20 30 FEEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 ZINC000971964717 682383439 /nfs/dbraw/zinc/38/34/39/682383439.db2.gz ROISKOJJRYUUOP-LJISPDSOSA-N 1 2 357.292 2.243 20 30 FEEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 ZINC000971964717 682383445 /nfs/dbraw/zinc/38/34/45/682383445.db2.gz ROISKOJJRYUUOP-LJISPDSOSA-N 1 2 357.292 2.243 20 30 FEEDLO C[C@H](C#N)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC000787669222 682471554 /nfs/dbraw/zinc/47/15/54/682471554.db2.gz LEJPJXYZFPVRNX-LLVKDONJSA-N 1 2 351.248 2.299 20 30 FEEDLO C#C[C@H](NC(=O)CSCc1cn2cc(C)ccc2[nH+]1)C1CCOCC1 ZINC000856116560 682743386 /nfs/dbraw/zinc/74/33/86/682743386.db2.gz ZZNFPXYCNOEDQA-KRWDZBQOSA-N 1 2 357.479 2.421 20 30 FEEDLO C[N@H+](Cc1ccccc1)C1CN(S(=O)(=O)c2cccc(F)c2C#N)C1 ZINC000796112925 683129974 /nfs/dbraw/zinc/12/99/74/683129974.db2.gz KDPTWSQCXVWZKZ-UHFFFAOYSA-N 1 2 359.426 2.202 20 30 FEEDLO C[N@@H+](Cc1ccccc1)C1CN(S(=O)(=O)c2cccc(F)c2C#N)C1 ZINC000796112925 683129979 /nfs/dbraw/zinc/12/99/79/683129979.db2.gz KDPTWSQCXVWZKZ-UHFFFAOYSA-N 1 2 359.426 2.202 20 30 FEEDLO CC(C)NC(=O)OC[C@@H]1CCCC[N@@H+]1CC(=O)N[C@](C)(C#N)C(C)C ZINC000796706058 683188100 /nfs/dbraw/zinc/18/81/00/683188100.db2.gz VEAPSFQAXULNNE-MAUKXSAKSA-N 1 2 352.479 2.030 20 30 FEEDLO CC(C)NC(=O)OC[C@@H]1CCCC[N@H+]1CC(=O)N[C@](C)(C#N)C(C)C ZINC000796706058 683188102 /nfs/dbraw/zinc/18/81/02/683188102.db2.gz VEAPSFQAXULNNE-MAUKXSAKSA-N 1 2 352.479 2.030 20 30 FEEDLO N#Cc1c(F)cccc1S(=O)(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000920625206 683356452 /nfs/dbraw/zinc/35/64/52/683356452.db2.gz KHHBKDZBODTPLG-UHFFFAOYSA-N 1 2 360.414 2.358 20 30 FEEDLO C[NH+](C)Cc1csc(CNS(=O)(=O)c2ccc(Cl)c(C#N)c2)n1 ZINC000921104146 683397206 /nfs/dbraw/zinc/39/72/06/683397206.db2.gz FWPHMQGPPHMLIM-UHFFFAOYSA-N 1 2 370.887 2.208 20 30 FEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(I)c(C)n1 ZINC000799102877 683422656 /nfs/dbraw/zinc/42/26/56/683422656.db2.gz USYAKYMPCCTOOD-LBPRGKRZSA-N 1 2 369.206 2.031 20 30 FEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(I)c(C)n1 ZINC000799102877 683422659 /nfs/dbraw/zinc/42/26/59/683422659.db2.gz USYAKYMPCCTOOD-LBPRGKRZSA-N 1 2 369.206 2.031 20 30 FEEDLO C[C@](O)(C[NH+]1CCN(c2ncccc2C#N)CC1)C(F)(F)C(F)(F)F ZINC000929150194 683552817 /nfs/dbraw/zinc/55/28/17/683552817.db2.gz PACJBXIBMZZJGS-ZDUSSCGKSA-N 1 2 364.318 2.024 20 30 FEEDLO C#CC1(O)CC[NH+](CC(=O)N[C@@H](c2cccs2)c2ccccc2)CC1 ZINC000931144315 683841172 /nfs/dbraw/zinc/84/11/72/683841172.db2.gz YZPBYOGXLGABOD-LJQANCHMSA-N 1 2 354.475 2.414 20 30 FEEDLO C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCCn1cc[nH+]c1 ZINC000864413724 683847786 /nfs/dbraw/zinc/84/77/86/683847786.db2.gz RKGLZCIDOOOOQH-ZDUSSCGKSA-N 1 2 356.854 2.425 20 30 FEEDLO C[C@H]1C[N@H+](CCNC(=O)Nc2ccc(C#N)c(Br)c2)CCO1 ZINC000931379197 684272176 /nfs/dbraw/zinc/27/21/76/684272176.db2.gz IWSNYRGWPDOVQV-NSHDSACASA-N 1 2 367.247 2.163 20 30 FEEDLO C[C@H]1C[N@@H+](CCNC(=O)Nc2ccc(C#N)c(Br)c2)CCO1 ZINC000931379197 684272181 /nfs/dbraw/zinc/27/21/81/684272181.db2.gz IWSNYRGWPDOVQV-NSHDSACASA-N 1 2 367.247 2.163 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@H](OC3CCC3)CC2)nc1 ZINC000872282722 684934329 /nfs/dbraw/zinc/93/43/29/684934329.db2.gz SKCLZJAFDFAOFY-KRWDZBQOSA-N 1 2 363.483 2.151 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@H](OC3CCC3)CC2)nc1 ZINC000872282722 684934333 /nfs/dbraw/zinc/93/43/33/684934333.db2.gz SKCLZJAFDFAOFY-KRWDZBQOSA-N 1 2 363.483 2.151 20 30 FEEDLO CSC1([C@H](C#N)N(C)C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000876452256 686205980 /nfs/dbraw/zinc/20/59/80/686205980.db2.gz OCWCIJLXIFVFGU-IRXDYDNUSA-N 1 2 359.495 2.134 20 30 FEEDLO CSC1([C@H](C#N)N(C)C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000876452256 686205984 /nfs/dbraw/zinc/20/59/84/686205984.db2.gz OCWCIJLXIFVFGU-IRXDYDNUSA-N 1 2 359.495 2.134 20 30 FEEDLO C=CCOc1ccc(C[N@@H+]2CC[C@@H]3CS(=O)(=O)C[C@@H]3C2)cc1OC ZINC000877787009 686457684 /nfs/dbraw/zinc/45/76/84/686457684.db2.gz DIBGVASNYQCPBA-CVEARBPZSA-N 1 2 351.468 2.127 20 30 FEEDLO C=CCOc1ccc(C[N@H+]2CC[C@@H]3CS(=O)(=O)C[C@@H]3C2)cc1OC ZINC000877787009 686457689 /nfs/dbraw/zinc/45/76/89/686457689.db2.gz DIBGVASNYQCPBA-CVEARBPZSA-N 1 2 351.468 2.127 20 30 FEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1cc(C(C)(C)C)nn1C(C)(C)C ZINC000884101037 687789425 /nfs/dbraw/zinc/78/94/25/687789425.db2.gz MXTBVSSAJPHKDE-LBPRGKRZSA-N 1 2 350.463 2.321 20 30 FEEDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)NCc1ccc(SC)c(C#N)c1 ZINC000890448062 688921871 /nfs/dbraw/zinc/92/18/71/688921871.db2.gz PXXSARYUTJVLAR-INIZCTEOSA-N 1 2 362.499 2.190 20 30 FEEDLO CC[C@H]1COCC[N@H+]1CCNC(=O)NCc1ccc(SC)c(C#N)c1 ZINC000890448062 688921873 /nfs/dbraw/zinc/92/18/73/688921873.db2.gz PXXSARYUTJVLAR-INIZCTEOSA-N 1 2 362.499 2.190 20 30 FEEDLO N#Cc1sccc1N1CC[NH+]([C@@H]2CCC3(C[C@@H]2F)OCCO3)CC1 ZINC000895321162 689695893 /nfs/dbraw/zinc/69/58/93/689695893.db2.gz SSNNOKIBPGHVMV-UONOGXRCSA-N 1 2 351.447 2.375 20 30 FEEDLO CN(C)[S@@](C)(=O)=NCC1CC[NH+](Cc2cc(C#N)cnc2Cl)CC1 ZINC000898397418 690175078 /nfs/dbraw/zinc/17/50/78/690175078.db2.gz ARIYETUVIQWLAT-DEOSSOPVSA-N 1 2 369.922 2.393 20 30 FEEDLO Cc1csc(C[C@H]2CC[N@H+](Cn3cc4c(c(C#N)c3=O)CCC4)C2)n1 ZINC000902537250 690776093 /nfs/dbraw/zinc/77/60/93/690776093.db2.gz BRMFVAVMCSEQCO-CQSZACIVSA-N 1 2 354.479 2.496 20 30 FEEDLO Cc1csc(C[C@H]2CC[N@@H+](Cn3cc4c(c(C#N)c3=O)CCC4)C2)n1 ZINC000902537250 690776096 /nfs/dbraw/zinc/77/60/96/690776096.db2.gz BRMFVAVMCSEQCO-CQSZACIVSA-N 1 2 354.479 2.496 20 30 FEEDLO O=C1C[C@H]([N@@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)C(=O)N1CC(F)(F)F ZINC000905026120 691058411 /nfs/dbraw/zinc/05/84/11/691058411.db2.gz UQHWTWPBYDRALJ-OIBJUYFYSA-N 1 2 362.245 2.043 20 30 FEEDLO O=C1C[C@H]([N@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)C(=O)N1CC(F)(F)F ZINC000905026120 691058415 /nfs/dbraw/zinc/05/84/15/691058415.db2.gz UQHWTWPBYDRALJ-OIBJUYFYSA-N 1 2 362.245 2.043 20 30 FEEDLO C=CC[N@@H+](CC(=O)Nc1ccc(S(N)(=O)=O)cc1)Cc1cccs1 ZINC000019540486 539659517 /nfs/dbraw/zinc/65/95/17/539659517.db2.gz HTJAFCIXPSQHEJ-UHFFFAOYSA-N 1 2 365.480 2.022 20 30 FEEDLO C=CC[N@H+](CC(=O)Nc1ccc(S(N)(=O)=O)cc1)Cc1cccs1 ZINC000019540486 539659523 /nfs/dbraw/zinc/65/95/23/539659523.db2.gz HTJAFCIXPSQHEJ-UHFFFAOYSA-N 1 2 365.480 2.022 20 30 FEEDLO C=CCNC(=O)C[NH+]1CCN(Cc2csc(-c3ccsc3)n2)CC1 ZINC000022811073 539699632 /nfs/dbraw/zinc/69/96/32/539699632.db2.gz IKAUVXQBPVKFEF-UHFFFAOYSA-N 1 2 362.524 2.291 20 30 FEEDLO CC(=O)c1c[nH]c(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000023753576 539719684 /nfs/dbraw/zinc/71/96/84/539719684.db2.gz IFSIVRONTIBNNT-UHFFFAOYSA-N 1 2 350.422 2.437 20 30 FEEDLO CC(=O)c1c[nH]c(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000023753576 539719689 /nfs/dbraw/zinc/71/96/89/539719689.db2.gz IFSIVRONTIBNNT-UHFFFAOYSA-N 1 2 350.422 2.437 20 30 FEEDLO CN(Cc1cccc(C#N)c1)C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000027370825 539806701 /nfs/dbraw/zinc/80/67/01/539806701.db2.gz HXQHKOCFAZUGSP-UHFFFAOYSA-N 1 2 365.437 2.131 20 30 FEEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000028274745 539830077 /nfs/dbraw/zinc/83/00/77/539830077.db2.gz UEWKOKSAWYGLAW-GOSISDBHSA-N 1 2 372.513 2.056 20 30 FEEDLO CNC(=O)C1CC[NH+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000029162328 539845565 /nfs/dbraw/zinc/84/55/65/539845565.db2.gz JXVZCRVCWNNNMV-UHFFFAOYSA-N 1 2 374.510 2.285 20 30 FEEDLO N#Cc1ccc(NC(=O)C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)cc1 ZINC000041311249 540016382 /nfs/dbraw/zinc/01/63/82/540016382.db2.gz NVUSDVJAFQSCHK-UHFFFAOYSA-N 1 2 353.769 2.114 20 30 FEEDLO N#Cc1cccc(NC(=O)C(=O)NCCc2[nH+]ccn2Cc2ccccc2)c1 ZINC000041326992 540017086 /nfs/dbraw/zinc/01/70/86/540017086.db2.gz TUCNGXOIGWDGTN-UHFFFAOYSA-N 1 2 373.416 2.100 20 30 FEEDLO C[C@H](C(=O)Nc1nccs1)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000042354336 540060104 /nfs/dbraw/zinc/06/01/04/540060104.db2.gz NPSLOFMJSVMUBN-CQSZACIVSA-N 1 2 355.467 2.160 20 30 FEEDLO C[N@H+](CC(=O)Nc1ccccc1SCC(N)=O)Cc1cccc(C#N)c1 ZINC000046518047 540261365 /nfs/dbraw/zinc/26/13/65/540261365.db2.gz WNJDVEMJXSTLPW-UHFFFAOYSA-N 1 2 368.462 2.206 20 30 FEEDLO C[N@@H+](CC(=O)Nc1ccccc1SCC(N)=O)Cc1cccc(C#N)c1 ZINC000046518047 540261367 /nfs/dbraw/zinc/26/13/67/540261367.db2.gz WNJDVEMJXSTLPW-UHFFFAOYSA-N 1 2 368.462 2.206 20 30 FEEDLO CC(C)C(=O)N1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000046560670 540261717 /nfs/dbraw/zinc/26/17/17/540261717.db2.gz DALBAQQJRCHOCH-UHFFFAOYSA-N 1 2 374.510 2.237 20 30 FEEDLO Cc1noc(C)c1C[NH+]1CCN(C(=O)[C@H](C)Oc2ccccc2C#N)CC1 ZINC000046814581 540271754 /nfs/dbraw/zinc/27/17/54/540271754.db2.gz OOMFLJKKMFMFMT-INIZCTEOSA-N 1 2 368.437 2.275 20 30 FEEDLO Cc1nn(CC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(C)c1Cl ZINC000047245363 540298376 /nfs/dbraw/zinc/29/83/76/540298376.db2.gz QQAQTTPMKHCLIP-UHFFFAOYSA-N 1 2 371.872 2.369 20 30 FEEDLO Cc1csc(N2CC[NH+]([C@@H](C)C(=O)Nc3cccc(C#N)c3)CC2)n1 ZINC000048008391 540339345 /nfs/dbraw/zinc/33/93/45/540339345.db2.gz XPPJFFQFESNDAS-AWEZNQCLSA-N 1 2 355.467 2.472 20 30 FEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN(C(=O)c2ccc(C)c(F)c2)CC1 ZINC000052129999 540455661 /nfs/dbraw/zinc/45/56/61/540455661.db2.gz BPFZNGMRDXPBCC-QGZVFWFLSA-N 1 2 373.472 2.481 20 30 FEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000052409177 540464911 /nfs/dbraw/zinc/46/49/11/540464911.db2.gz YVZQBOGLFJOXHX-SFHVURJKSA-N 1 2 367.497 2.074 20 30 FEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000052409177 540464914 /nfs/dbraw/zinc/46/49/14/540464914.db2.gz YVZQBOGLFJOXHX-SFHVURJKSA-N 1 2 367.497 2.074 20 30 FEEDLO C[C@H](C(=O)N(C)CCC#N)[NH+]1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000052712209 540484287 /nfs/dbraw/zinc/48/42/87/540484287.db2.gz ZOZNKLVHCBIXNB-CQSZACIVSA-N 1 2 366.868 2.357 20 30 FEEDLO CC(=O)NCC1CC[NH+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000052849142 540493243 /nfs/dbraw/zinc/49/32/43/540493243.db2.gz OMTRHVHPSGFJIO-LBPRGKRZSA-N 1 2 374.510 2.284 20 30 FEEDLO Cc1cccc(N2CC[NH+](CC(=O)N(CCC#N)CCC#N)CC2)c1C ZINC000052876838 540497076 /nfs/dbraw/zinc/49/70/76/540497076.db2.gz VZGDQALDCSQVQA-UHFFFAOYSA-N 1 2 353.470 2.081 20 30 FEEDLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)CNc2ccc(C#N)cn2)CC1 ZINC000538272222 540835631 /nfs/dbraw/zinc/83/56/31/540835631.db2.gz DADHHTUCMSPMMS-HNNXBMFYSA-N 1 2 367.428 2.410 20 30 FEEDLO N#Cc1ccc(CSCC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000061017434 541124950 /nfs/dbraw/zinc/12/49/50/541124950.db2.gz ILKLUZGHDUXMIA-SFHVURJKSA-N 1 2 359.495 2.115 20 30 FEEDLO COCC[N@H+](CC(=O)NC(=O)NC1CCCCC1)Cc1ccc(C#N)cc1 ZINC000063754536 541183435 /nfs/dbraw/zinc/18/34/35/541183435.db2.gz VZNXEYPJFCHLMR-UHFFFAOYSA-N 1 2 372.469 2.165 20 30 FEEDLO COCC[N@@H+](CC(=O)NC(=O)NC1CCCCC1)Cc1ccc(C#N)cc1 ZINC000063754536 541183440 /nfs/dbraw/zinc/18/34/40/541183440.db2.gz VZNXEYPJFCHLMR-UHFFFAOYSA-N 1 2 372.469 2.165 20 30 FEEDLO C[NH+](C)Cc1nc(C(C)(C)NC(=O)CSCc2ccc(C#N)cc2)no1 ZINC000065758112 541258594 /nfs/dbraw/zinc/25/85/94/541258594.db2.gz DBDJFFREJFXLCX-UHFFFAOYSA-N 1 2 373.482 2.288 20 30 FEEDLO C[C@H]1CCCC[C@@H]1NC(=O)C[N@@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000066437808 541318565 /nfs/dbraw/zinc/31/85/65/541318565.db2.gz AQAPMWDSESDEKN-WMZOPIPTSA-N 1 2 355.486 2.160 20 30 FEEDLO C[C@H]1CCCC[C@@H]1NC(=O)C[N@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000066437808 541318566 /nfs/dbraw/zinc/31/85/66/541318566.db2.gz AQAPMWDSESDEKN-WMZOPIPTSA-N 1 2 355.486 2.160 20 30 FEEDLO C=CC[N@H+](CCCc1nc(-c2cccs2)no1)[C@H]1CCS(=O)(=O)C1 ZINC000066559664 541334912 /nfs/dbraw/zinc/33/49/12/541334912.db2.gz SHXSBTXWHXLBSE-ZDUSSCGKSA-N 1 2 367.496 2.406 20 30 FEEDLO C=CC[N@@H+](CCCc1nc(-c2cccs2)no1)[C@H]1CCS(=O)(=O)C1 ZINC000066559664 541334915 /nfs/dbraw/zinc/33/49/15/541334915.db2.gz SHXSBTXWHXLBSE-ZDUSSCGKSA-N 1 2 367.496 2.406 20 30 FEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+](C)CC(=O)Nc1cc(F)cc(F)c1 ZINC000066836576 541378468 /nfs/dbraw/zinc/37/84/68/541378468.db2.gz UYXNOMLWXUMWOE-CYBMUJFWSA-N 1 2 351.397 2.424 20 30 FEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](C)CC(=O)Nc1cc(F)cc(F)c1 ZINC000066836576 541378469 /nfs/dbraw/zinc/37/84/69/541378469.db2.gz UYXNOMLWXUMWOE-CYBMUJFWSA-N 1 2 351.397 2.424 20 30 FEEDLO C=CC[N@@H+](CCC(=O)Nc1ccc(Cl)cc1F)[C@@H]1CCS(=O)(=O)C1 ZINC000067400052 541457500 /nfs/dbraw/zinc/45/75/00/541457500.db2.gz XWTMDLVNARFHNX-CYBMUJFWSA-N 1 2 374.865 2.483 20 30 FEEDLO C=CC[N@H+](CCC(=O)Nc1ccc(Cl)cc1F)[C@@H]1CCS(=O)(=O)C1 ZINC000067400052 541457502 /nfs/dbraw/zinc/45/75/02/541457502.db2.gz XWTMDLVNARFHNX-CYBMUJFWSA-N 1 2 374.865 2.483 20 30 FEEDLO N#Cc1ccc(-n2ccc(NC(=O)NCCn3cc[nH+]c3)n2)c(Cl)c1 ZINC000542961316 541509816 /nfs/dbraw/zinc/50/98/16/541509816.db2.gz JIWRMRPSYOPEBI-UHFFFAOYSA-N 1 2 355.789 2.416 20 30 FEEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000069078449 541654682 /nfs/dbraw/zinc/65/46/82/541654682.db2.gz FDLIEFZZGHQFEI-ZBFHGGJFSA-N 1 2 370.432 2.251 20 30 FEEDLO CO/N=C/c1ccc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000070748429 541740032 /nfs/dbraw/zinc/74/00/32/541740032.db2.gz WPOMWFRIWSPFJE-HZHRSRAPSA-N 1 2 362.433 2.497 20 30 FEEDLO C[C@H](Oc1cccc(Cl)c1)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000071798466 541772116 /nfs/dbraw/zinc/77/21/16/541772116.db2.gz TURYGCKMRAFSDY-HNNXBMFYSA-N 1 2 365.861 2.182 20 30 FEEDLO C[N@@H+](CC(=O)Nc1sccc1C#N)C[C@H](O)COCc1ccccc1 ZINC000074289429 542064396 /nfs/dbraw/zinc/06/43/96/542064396.db2.gz ZYZAKRKCMBUCRY-INIZCTEOSA-N 1 2 359.451 2.068 20 30 FEEDLO C[N@H+](CC(=O)Nc1sccc1C#N)C[C@H](O)COCc1ccccc1 ZINC000074289429 542064397 /nfs/dbraw/zinc/06/43/97/542064397.db2.gz ZYZAKRKCMBUCRY-INIZCTEOSA-N 1 2 359.451 2.068 20 30 FEEDLO C[C@H](Oc1ccccc1C#N)C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000075710244 542199895 /nfs/dbraw/zinc/19/98/95/542199895.db2.gz PQGUHSZICIGIKJ-NSHDSACASA-N 1 2 352.316 2.401 20 30 FEEDLO COc1ccccc1C[NH+]1CCN(CC(=O)NC2(C#N)CCCCC2)CC1 ZINC000076343293 542265531 /nfs/dbraw/zinc/26/55/31/542265531.db2.gz LKTJZNJNPIWCRW-UHFFFAOYSA-N 1 2 370.497 2.155 20 30 FEEDLO CCO[C@H](C)c1noc(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000076716375 542316666 /nfs/dbraw/zinc/31/66/66/542316666.db2.gz VCFFKMDODONZLW-OAHLLOKOSA-N 1 2 355.442 2.357 20 30 FEEDLO Cc1ccccc1NC(=O)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000080212253 542575204 /nfs/dbraw/zinc/57/52/04/542575204.db2.gz ZRDQFDBPGTVBQT-UHFFFAOYSA-N 1 2 362.433 2.150 20 30 FEEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCN(c2ccc(O)cc2)CC1 ZINC000021822691 132373894 /nfs/dbraw/zinc/37/38/94/132373894.db2.gz GBBGXWKAELDONQ-MRXNPFEDSA-N 1 2 356.470 2.245 20 30 FEEDLO C=CCOc1ccc(C[NH+]2CCN(Cc3nccn3C)CC2)cc1OC ZINC000093131865 542909636 /nfs/dbraw/zinc/90/96/36/542909636.db2.gz BTPOEWHXEALUAL-UHFFFAOYSA-N 1 2 356.470 2.311 20 30 FEEDLO COc1cccc(C[N@@H+]2CCN(Cc3ccc(C#N)cc3)C(=O)C2)c1O ZINC000093661363 542937426 /nfs/dbraw/zinc/93/74/26/542937426.db2.gz SNJOOMVVLYRPHZ-UHFFFAOYSA-N 1 2 351.406 2.117 20 30 FEEDLO COc1cccc(C[N@H+]2CCN(Cc3ccc(C#N)cc3)C(=O)C2)c1O ZINC000093661363 542937427 /nfs/dbraw/zinc/93/74/27/542937427.db2.gz SNJOOMVVLYRPHZ-UHFFFAOYSA-N 1 2 351.406 2.117 20 30 FEEDLO CC(C)c1ccccc1NC(=O)CN(CCC#N)CC[NH+]1CCOCC1 ZINC000096971325 543001206 /nfs/dbraw/zinc/00/12/06/543001206.db2.gz FFXKOWGAYMTQEH-UHFFFAOYSA-N 1 2 358.486 2.296 20 30 FEEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000105299140 543169808 /nfs/dbraw/zinc/16/98/08/543169808.db2.gz FEYPPQHIBKCMBO-DLBZAZTESA-N 1 2 356.470 2.365 20 30 FEEDLO Cc1nc(CN2CCC[N@H+](Cc3cn4ccccc4c3C#N)CC2)no1 ZINC000106147487 543208480 /nfs/dbraw/zinc/20/84/80/543208480.db2.gz NFKIZFIPGHQCKP-UHFFFAOYSA-N 1 2 350.426 2.210 20 30 FEEDLO Cc1nc(CN2CCC[N@@H+](Cc3cn4ccccc4c3C#N)CC2)no1 ZINC000106147487 543208482 /nfs/dbraw/zinc/20/84/82/543208482.db2.gz NFKIZFIPGHQCKP-UHFFFAOYSA-N 1 2 350.426 2.210 20 30 FEEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[NH+]1CCC(C(N)=O)CC1 ZINC000108355864 543287502 /nfs/dbraw/zinc/28/75/02/543287502.db2.gz UJRWUNLJSIIGRB-ZDUSSCGKSA-N 1 2 360.483 2.074 20 30 FEEDLO Cc1ccc(CNC(=O)[C@H](C)[NH+]2CCN(c3ccc(C#N)cn3)CC2)cc1 ZINC000115675039 543581227 /nfs/dbraw/zinc/58/12/27/543581227.db2.gz RPTIXAINGSVZCB-KRWDZBQOSA-N 1 2 363.465 2.089 20 30 FEEDLO C=CCCC[N@@H+](C)CC(=O)N([C@@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000121081939 543688853 /nfs/dbraw/zinc/68/88/53/543688853.db2.gz UHKQRCACMHJDQK-QGZVFWFLSA-N 1 2 356.532 2.233 20 30 FEEDLO C=CCCC[N@H+](C)CC(=O)N([C@@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000121081939 543688854 /nfs/dbraw/zinc/68/88/54/543688854.db2.gz UHKQRCACMHJDQK-QGZVFWFLSA-N 1 2 356.532 2.233 20 30 FEEDLO C[C@@H]1CCC[C@@H](NC(=O)C[NH+]2CCN(CC#Cc3ccc(F)cc3)CC2)C1 ZINC000121204310 543690456 /nfs/dbraw/zinc/69/04/56/543690456.db2.gz GOZVWAIZFMKXBN-WIYYLYMNSA-N 1 2 371.500 2.490 20 30 FEEDLO C=CC[N@H+](Cc1ccc(OC[C@@H]2CCCO2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000121301223 543692204 /nfs/dbraw/zinc/69/22/04/543692204.db2.gz HQAVJYSPLOSIGK-MJGOQNOKSA-N 1 2 365.495 2.420 20 30 FEEDLO C=CC[N@@H+](Cc1ccc(OC[C@@H]2CCCO2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000121301223 543692208 /nfs/dbraw/zinc/69/22/08/543692208.db2.gz HQAVJYSPLOSIGK-MJGOQNOKSA-N 1 2 365.495 2.420 20 30 FEEDLO C=CCCS(=O)(=O)N[C@@H](CC)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000121634751 543697742 /nfs/dbraw/zinc/69/77/42/543697742.db2.gz ZOLOAHSOKRUBDY-ZWKOTPCHSA-N 1 2 352.500 2.162 20 30 FEEDLO C=CCCS(=O)(=O)N[C@@H](CC)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000121634751 543697744 /nfs/dbraw/zinc/69/77/44/543697744.db2.gz ZOLOAHSOKRUBDY-ZWKOTPCHSA-N 1 2 352.500 2.162 20 30 FEEDLO C[C@H](c1ccccc1)[N@H+](CC(N)=O)CC(=O)N(CCC#N)c1ccccc1 ZINC000123851845 543786922 /nfs/dbraw/zinc/78/69/22/543786922.db2.gz CYMUAVMGQDFNIG-QGZVFWFLSA-N 1 2 364.449 2.482 20 30 FEEDLO C[C@H](c1ccccc1)[N@@H+](CC(N)=O)CC(=O)N(CCC#N)c1ccccc1 ZINC000123851845 543786926 /nfs/dbraw/zinc/78/69/26/543786926.db2.gz CYMUAVMGQDFNIG-QGZVFWFLSA-N 1 2 364.449 2.482 20 30 FEEDLO C=CCNC(=O)NC(=O)C[N@@H+](CC)Cc1cc(Br)ccc1F ZINC000123223814 543749221 /nfs/dbraw/zinc/74/92/21/543749221.db2.gz ITNYGHRFBKIFNC-UHFFFAOYSA-N 1 2 372.238 2.422 20 30 FEEDLO C=CCNC(=O)NC(=O)C[N@H+](CC)Cc1cc(Br)ccc1F ZINC000123223814 543749224 /nfs/dbraw/zinc/74/92/24/543749224.db2.gz ITNYGHRFBKIFNC-UHFFFAOYSA-N 1 2 372.238 2.422 20 30 FEEDLO COc1cc(C#N)ccc1OCC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000123921710 543791578 /nfs/dbraw/zinc/79/15/78/543791578.db2.gz ZYOPQHRNERPAEB-ZBFHGGJFSA-N 1 2 354.410 2.252 20 30 FEEDLO C=CCC[C@@H]([NH2+]C1CCN(S(=O)(=O)NCC(F)(F)F)CC1)C1CC1 ZINC000130525095 544154501 /nfs/dbraw/zinc/15/45/01/544154501.db2.gz ABBWCIKIOFRPRT-CQSZACIVSA-N 1 2 369.453 2.182 20 30 FEEDLO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](c1ccco1)c1ccccc1OC ZINC000130820329 544166714 /nfs/dbraw/zinc/16/67/14/544166714.db2.gz DMNUHDUPCDAQTR-SUMWQHHRSA-N 1 2 357.410 2.368 20 30 FEEDLO Cn1cc(CCC(=O)N(CCC#N)CC[NH+]2CCOCC2)c2ccccc21 ZINC000131004342 544173684 /nfs/dbraw/zinc/17/36/84/544173684.db2.gz KWPULAJCOQMMQO-UHFFFAOYSA-N 1 2 368.481 2.185 20 30 FEEDLO C[C@@H](c1nnnn1-c1ccccc1)[N@@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000098136904 222229510 /nfs/dbraw/zinc/22/95/10/222229510.db2.gz QFSLONHJFJEOCU-INIZCTEOSA-N 1 2 374.452 2.202 20 30 FEEDLO C[C@@H](c1nnnn1-c1ccccc1)[N@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000098136904 222229512 /nfs/dbraw/zinc/22/95/12/222229512.db2.gz QFSLONHJFJEOCU-INIZCTEOSA-N 1 2 374.452 2.202 20 30 FEEDLO O=C(C[N@@H+]1CCOCC12CCC2)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000135526742 544350850 /nfs/dbraw/zinc/35/08/50/544350850.db2.gz VYBAQOPZYVWXNP-UHFFFAOYSA-N 1 2 366.383 2.428 20 30 FEEDLO O=C(C[N@H+]1CCOCC12CCC2)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000135526742 544350851 /nfs/dbraw/zinc/35/08/51/544350851.db2.gz VYBAQOPZYVWXNP-UHFFFAOYSA-N 1 2 366.383 2.428 20 30 FEEDLO C[C@H]1CCN(S(=O)(=O)c2c(F)cc(C#N)cc2F)C[C@@H]1n1cc[nH+]c1 ZINC000151239182 544520051 /nfs/dbraw/zinc/52/00/51/544520051.db2.gz SPQJJAIJTZNOBI-NHYWBVRUSA-N 1 2 366.393 2.305 20 30 FEEDLO N#Cc1ccc([C@@H]([NH2+][C@@H]2CCN(c3ccc(Cl)cc3)C2=O)C(N)=O)cc1 ZINC000151847842 544587355 /nfs/dbraw/zinc/58/73/55/544587355.db2.gz HHWBMUCIKXJGSW-IAGOWNOFSA-N 1 2 368.824 2.133 20 30 FEEDLO COC(=O)[C@H]1C[C@H](OC)C[N@H+]1Cc1cccn1Cc1ccccc1C#N ZINC000187290141 328013691 /nfs/dbraw/zinc/01/36/91/328013691.db2.gz NOLKQUMLAYEMMT-RBUKOAKNSA-N 1 2 353.422 2.170 20 30 FEEDLO COC(=O)[C@H]1C[C@H](OC)C[N@@H+]1Cc1cccn1Cc1ccccc1C#N ZINC000187290141 328013692 /nfs/dbraw/zinc/01/36/92/328013692.db2.gz NOLKQUMLAYEMMT-RBUKOAKNSA-N 1 2 353.422 2.170 20 30 FEEDLO CC(=O)N1CCN(c2cccc(NCc3c[nH+]c4ccc(C#N)cn34)c2)CC1 ZINC000189479222 328150862 /nfs/dbraw/zinc/15/08/62/328150862.db2.gz SOMCWCHSCGCOFQ-UHFFFAOYSA-N 1 2 374.448 2.487 20 30 FEEDLO Cc1cc(N2CCN(C(=O)c3ccc(C#N)c(O)c3)CC2)nc(C(C)C)[nH+]1 ZINC000189958387 328178857 /nfs/dbraw/zinc/17/88/57/328178857.db2.gz MMLDDJYOJFZLPF-UHFFFAOYSA-N 1 2 365.437 2.448 20 30 FEEDLO Cn1cc(C[NH+]2CCN(C(=O)c3ccccc3OC(F)F)CC2)cc1C#N ZINC000191209216 328254195 /nfs/dbraw/zinc/25/41/95/328254195.db2.gz HTNZAHJWMJRJDN-UHFFFAOYSA-N 1 2 374.391 2.456 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(CC(=O)Nc3ccccc3F)CC2)cc1 ZINC000192871195 328344107 /nfs/dbraw/zinc/34/41/07/328344107.db2.gz CEERMYCWLUTSGZ-UHFFFAOYSA-N 1 2 352.413 2.454 20 30 FEEDLO CSc1[nH]c(=O)c(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)cc1C#N ZINC000027606836 324433830 /nfs/dbraw/zinc/43/38/30/324433830.db2.gz SSOQTRSHXIEDKY-LBPRGKRZSA-N 1 2 362.480 2.475 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)NCc2ccc(N3CCCCC3)[nH+]c2)cc1 ZINC000056071164 324796094 /nfs/dbraw/zinc/79/60/94/324796094.db2.gz NBYHMDJQWZBBNJ-UHFFFAOYSA-N 1 2 356.451 2.422 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)cc1 ZINC000060066259 324847839 /nfs/dbraw/zinc/84/78/39/324847839.db2.gz AXYDXFNDHKYXMW-UHFFFAOYSA-N 1 2 356.382 2.362 20 30 FEEDLO N#Cc1cc(NC(=O)C(=O)NCc2ccccc2-n2cc[nH+]c2)ccc1F ZINC000077541702 324995542 /nfs/dbraw/zinc/99/55/42/324995542.db2.gz MSQRLRUANZMVQG-UHFFFAOYSA-N 1 2 363.352 2.138 20 30 FEEDLO COC(=O)[C@@H](c1cccc(C#N)c1)N1CC[NH+](Cc2c(C)noc2C)CC1 ZINC000083169482 325214260 /nfs/dbraw/zinc/21/42/60/325214260.db2.gz DLMZUSYEHIABHE-LJQANCHMSA-N 1 2 368.437 2.195 20 30 FEEDLO Cc1cccn2cc(C[S@](=O)CC(=O)Nc3cccc(C#N)c3)[nH+]c12 ZINC000083953761 325226659 /nfs/dbraw/zinc/22/66/59/325226659.db2.gz MZPRYJHOKFYOQS-RUZDIDTESA-N 1 2 352.419 2.402 20 30 FEEDLO COc1ccc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)c(OC)c1 ZINC000091936466 325398664 /nfs/dbraw/zinc/39/86/64/325398664.db2.gz VYJKPELXQFBODA-AWEZNQCLSA-N 1 2 353.426 2.076 20 30 FEEDLO COc1ccc(C[N@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)c(OC)c1 ZINC000091936466 325398666 /nfs/dbraw/zinc/39/86/66/325398666.db2.gz VYJKPELXQFBODA-AWEZNQCLSA-N 1 2 353.426 2.076 20 30 FEEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000110956625 325697661 /nfs/dbraw/zinc/69/76/61/325697661.db2.gz AUGRMPREGCFMNR-WMZOPIPTSA-N 1 2 357.454 2.039 20 30 FEEDLO N#Cc1nc(-c2ccco2)oc1N1CC[NH+](Cc2ccc(CO)o2)CC1 ZINC000119652164 326184827 /nfs/dbraw/zinc/18/48/27/326184827.db2.gz PJPIGNCEBAPHLE-UHFFFAOYSA-N 1 2 354.366 2.214 20 30 FEEDLO N#Cc1ccc(F)c(CS(=O)(=O)NCCc2cn3ccccc3[nH+]2)c1 ZINC000120593124 326271356 /nfs/dbraw/zinc/27/13/56/326271356.db2.gz IFWLKUGHQSISQU-UHFFFAOYSA-N 1 2 358.398 2.007 20 30 FEEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCCN(C(=O)C2CC2)CC1 ZINC000121223958 326322755 /nfs/dbraw/zinc/32/27/55/326322755.db2.gz AEDICUGHDCWYDS-ZDUSSCGKSA-N 1 2 374.872 2.483 20 30 FEEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCCN(C(=O)C2CC2)CC1 ZINC000121223958 326322757 /nfs/dbraw/zinc/32/27/57/326322757.db2.gz AEDICUGHDCWYDS-ZDUSSCGKSA-N 1 2 374.872 2.483 20 30 FEEDLO Cc1sc(NC(=O)CN2CC[NH+](Cc3cccnc3)CC2)c(C#N)c1C ZINC000125225685 326467536 /nfs/dbraw/zinc/46/75/36/326467536.db2.gz DJCPOVFJVCLURI-UHFFFAOYSA-N 1 2 369.494 2.388 20 30 FEEDLO COc1ccc(C[NH2+][C@@H](c2nc(-c3nc[nH]n3)no2)C(C)C)cc1C#N ZINC000129132277 326535136 /nfs/dbraw/zinc/53/51/36/326535136.db2.gz BYSSNFMXTWDINZ-CQSZACIVSA-N 1 2 353.386 2.222 20 30 FEEDLO N#Cc1cnn(-c2ccc(C(=O)N3CCCC[C@H]3c3[nH]cc[nH+]3)cc2)c1N ZINC000171136667 327120422 /nfs/dbraw/zinc/12/04/22/327120422.db2.gz IWNYSCMRHPKUCO-INIZCTEOSA-N 1 2 361.409 2.417 20 30 FEEDLO C[C@@H](NC(=O)N(Cc1ccc(C#N)cc1)C1CC1)[C@H](C)[NH+]1CCOCC1 ZINC000171718439 327157525 /nfs/dbraw/zinc/15/75/25/327157525.db2.gz FTSKWPQCODLFPR-CVEARBPZSA-N 1 2 356.470 2.341 20 30 FEEDLO N#Cc1ccc(F)c(CNC(=O)N2CC[NH+](Cc3cccnc3)CC2)c1 ZINC000174026581 327302364 /nfs/dbraw/zinc/30/23/64/327302364.db2.gz SYDXUKSYMBYFOY-UHFFFAOYSA-N 1 2 353.401 2.120 20 30 FEEDLO N#Cc1ccc(NC(=O)C(=O)NCc2[nH+]ccn2CCc2ccccc2)cc1 ZINC000176053802 327430807 /nfs/dbraw/zinc/43/08/07/327430807.db2.gz KIJKNILJXRWDJL-UHFFFAOYSA-N 1 2 373.416 2.252 20 30 FEEDLO N#Cc1ccnc(N2CC[NH+](C[C@H]3CN(c4ccccc4)C(=O)O3)CC2)c1 ZINC000266033272 329183378 /nfs/dbraw/zinc/18/33/78/329183378.db2.gz SMKSKXPOWBHIEO-SFHVURJKSA-N 1 2 363.421 2.101 20 30 FEEDLO COCc1nccc([C@H]2CCC[N@H+](CC(=O)Nc3cccc(C#N)c3)C2)n1 ZINC000375774124 330249569 /nfs/dbraw/zinc/24/95/69/330249569.db2.gz MDGWIXVISPYQSV-INIZCTEOSA-N 1 2 365.437 2.313 20 30 FEEDLO COCc1nccc([C@H]2CCC[N@@H+](CC(=O)Nc3cccc(C#N)c3)C2)n1 ZINC000375774124 330249571 /nfs/dbraw/zinc/24/95/71/330249571.db2.gz MDGWIXVISPYQSV-INIZCTEOSA-N 1 2 365.437 2.313 20 30 FEEDLO CC[N@@H+]1CCO[C@@H](C(=O)OCc2ccc(Br)cc2C#N)C1 ZINC000805474992 674339090 /nfs/dbraw/zinc/33/90/90/674339090.db2.gz JDPOQYIVAUMLJU-CQSZACIVSA-N 1 2 353.216 2.085 20 30 FEEDLO CC[N@H+]1CCO[C@@H](C(=O)OCc2ccc(Br)cc2C#N)C1 ZINC000805474992 674339091 /nfs/dbraw/zinc/33/90/91/674339091.db2.gz JDPOQYIVAUMLJU-CQSZACIVSA-N 1 2 353.216 2.085 20 30 FEEDLO O=C(C[C@@H]1NC(=O)NC1=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000328647680 527588087 /nfs/dbraw/zinc/58/80/87/527588087.db2.gz UEPARGNJYPXRHV-NHCYSSNCSA-N 1 2 354.407 2.260 20 30 FEEDLO O=C(C[C@@H]1NC(=O)NC1=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000328647680 527588093 /nfs/dbraw/zinc/58/80/93/527588093.db2.gz UEPARGNJYPXRHV-NHCYSSNCSA-N 1 2 354.407 2.260 20 30 FEEDLO N#Cc1cc(F)ccc1S(=O)(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000156140078 545602105 /nfs/dbraw/zinc/60/21/05/545602105.db2.gz PQTBMRTWACIEEP-HNNXBMFYSA-N 1 2 363.414 2.406 20 30 FEEDLO C=CCn1c(=O)c2ccc(C(=O)N3CCC[C@@H]([C@H](C)[NH3+])C3)cc2[nH]c1=S ZINC000156369868 545622587 /nfs/dbraw/zinc/62/25/87/545622587.db2.gz ZNVXTJCTVPDUFP-GXTWGEPZSA-N 1 2 372.494 2.071 20 30 FEEDLO Cn1ncc2c1CCC[C@@H]2[N@H+](C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000156939541 545680074 /nfs/dbraw/zinc/68/00/74/545680074.db2.gz KFBCMRGAMTZZIK-KRWDZBQOSA-N 1 2 358.467 2.075 20 30 FEEDLO Cn1ncc2c1CCC[C@@H]2[N@@H+](C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000156939541 545680081 /nfs/dbraw/zinc/68/00/81/545680081.db2.gz KFBCMRGAMTZZIK-KRWDZBQOSA-N 1 2 358.467 2.075 20 30 FEEDLO C[C@@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN(Cc3cc(F)ccc3C#N)CC2)C1 ZINC000158271896 545842037 /nfs/dbraw/zinc/84/20/37/545842037.db2.gz FDHVZCCYUDQMIF-CALCHBBNSA-N 1 2 372.488 2.319 20 30 FEEDLO C[C@H]1CN(c2ccc(CNC(=O)NCC(C)(C)CCC#N)c[nH+]2)CCO1 ZINC000478323010 561164361 /nfs/dbraw/zinc/16/43/61/561164361.db2.gz INLIVICUYQIKSR-HNNXBMFYSA-N 1 2 359.474 2.436 20 30 FEEDLO N#Cc1cc(CN2CC[NH+](CC(=O)N3CCCCCC3)CC2)ccc1F ZINC000160594159 546054553 /nfs/dbraw/zinc/05/45/53/546054553.db2.gz WCEMKHJNMMPBRV-UHFFFAOYSA-N 1 2 358.461 2.218 20 30 FEEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000161425205 546128722 /nfs/dbraw/zinc/12/87/22/546128722.db2.gz MKAMYESXDWQFMZ-TZMCWYRMSA-N 1 2 361.408 2.353 20 30 FEEDLO C#CCSCCNC(=O)C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000172542898 546257673 /nfs/dbraw/zinc/25/76/73/546257673.db2.gz CWIKFNQWIJZCEK-UHFFFAOYSA-N 1 2 370.478 2.184 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174249279 546294064 /nfs/dbraw/zinc/29/40/64/546294064.db2.gz MRPMDVQOEUXGQV-IBGZPJMESA-N 1 2 374.441 2.492 20 30 FEEDLO C#CC[NH+]1CCC(C(=O)N(CC)c2ccccc2S(=O)(=O)CC)CC1 ZINC000176296705 546428795 /nfs/dbraw/zinc/42/87/95/546428795.db2.gz AITOTKKUOBKPGA-UHFFFAOYSA-N 1 2 362.495 2.178 20 30 FEEDLO C[NH+](C)Cc1ccnc(NS(=O)(=O)c2ccc(Cl)c(C#N)c2)c1 ZINC000176421262 546443649 /nfs/dbraw/zinc/44/36/49/546443649.db2.gz WNCUKQRKVMGVKF-UHFFFAOYSA-N 1 2 350.831 2.469 20 30 FEEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000177287167 546587787 /nfs/dbraw/zinc/58/77/87/546587787.db2.gz ISVFJCBSFDQQCJ-QFXNTCPOSA-N 1 2 361.408 2.305 20 30 FEEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000177287167 546587791 /nfs/dbraw/zinc/58/77/91/546587791.db2.gz ISVFJCBSFDQQCJ-QFXNTCPOSA-N 1 2 361.408 2.305 20 30 FEEDLO CCC[C@@H](C)NC(=O)[C@@H](C)O[NH+]=C(N)c1ccc(N2CCCCC2)nc1 ZINC000177479164 546627420 /nfs/dbraw/zinc/62/74/20/546627420.db2.gz RVTZRMMSFKVTNM-HUUCEWRRSA-N 1 2 361.490 2.402 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Nc1ccccc1OC(F)F ZINC000177509313 546634238 /nfs/dbraw/zinc/63/42/38/546634238.db2.gz VECHJRKMOFOMIY-UHFFFAOYSA-N 1 2 368.384 2.368 20 30 FEEDLO Cc1ccc(C(=O)N2CC[NH+](C[C@H](O)c3ccc(C#N)cc3)CC2)s1 ZINC000177997173 546720008 /nfs/dbraw/zinc/72/00/08/546720008.db2.gz MFZFUCAGNASPBV-KRWDZBQOSA-N 1 2 355.463 2.420 20 30 FEEDLO CC(=O)N[C@H](C)C1CC[NH+](CC(=O)Nc2cc(Cl)ccc2C#N)CC1 ZINC000481132215 561225893 /nfs/dbraw/zinc/22/58/93/561225893.db2.gz BXINUTGBONLHNU-GFCCVEGCSA-N 1 2 362.861 2.387 20 30 FEEDLO COc1cc(C[NH+]2CCN(C[C@@H](C#N)CCC#N)CC2)cc(OC)c1OC ZINC000178468320 546799751 /nfs/dbraw/zinc/79/97/51/546799751.db2.gz CWKNDENYPTVRQE-MRXNPFEDSA-N 1 2 372.469 2.274 20 30 FEEDLO C[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)C[C@@H]1COc2ccccc2O1 ZINC000179118383 546901527 /nfs/dbraw/zinc/90/15/27/546901527.db2.gz IDXFQORLOBJUKE-MRXNPFEDSA-N 1 2 372.446 2.104 20 30 FEEDLO C[N@@H+](CCS(=O)(=O)c1cccc(C#N)c1)C[C@@H]1COc2ccccc2O1 ZINC000179118383 546901531 /nfs/dbraw/zinc/90/15/31/546901531.db2.gz IDXFQORLOBJUKE-MRXNPFEDSA-N 1 2 372.446 2.104 20 30 FEEDLO COCCN(c1cc[nH+]cc1)S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000180151099 547059062 /nfs/dbraw/zinc/05/90/62/547059062.db2.gz JHAQXBKXTFUFAN-UHFFFAOYSA-N 1 2 351.815 2.448 20 30 FEEDLO C=CCNC(=O)CNC(=O)N1CCC(n2c(CC)[nH+]c3ccccc32)CC1 ZINC000181240126 547278919 /nfs/dbraw/zinc/27/89/19/547278919.db2.gz BRQYTWFMYJENSU-UHFFFAOYSA-N 1 2 369.469 2.247 20 30 FEEDLO C=CCN(CCOC)C(=O)C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000484601036 561300881 /nfs/dbraw/zinc/30/08/81/561300881.db2.gz DJOWFYCUDDUAMD-UHFFFAOYSA-N 1 2 355.394 2.473 20 30 FEEDLO CSCC[C@H]([NH2+]CC(=O)N[C@@](C)(C#N)C(C)C)c1nnc2ccccn21 ZINC000184599120 547852709 /nfs/dbraw/zinc/85/27/09/547852709.db2.gz QUBSRAFRVGTKNR-KSSFIOAISA-N 1 2 374.514 2.168 20 30 FEEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@H](C)c1nc(-c2cccc(OC)c2)no1 ZINC000185134550 547938659 /nfs/dbraw/zinc/93/86/59/547938659.db2.gz WFWOVIUJOSYPOJ-UONOGXRCSA-N 1 2 371.441 2.404 20 30 FEEDLO N#Cc1ccc(Cl)c(S(=O)(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000185451529 547987186 /nfs/dbraw/zinc/98/71/86/547987186.db2.gz VMIXJJZNBXKHSK-CYBMUJFWSA-N 1 2 362.842 2.164 20 30 FEEDLO N#Cc1ccc(Cl)c(S(=O)(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000185451500 547987242 /nfs/dbraw/zinc/98/72/42/547987242.db2.gz VMIXJJZNBXKHSK-ZDUSSCGKSA-N 1 2 362.842 2.164 20 30 FEEDLO COc1ccc(C(N)=[NH+]OCc2cc(-c3cnn(C)c3C)no2)cc1OC ZINC000185689055 548020247 /nfs/dbraw/zinc/02/02/47/548020247.db2.gz LIKHYLKHUMXDPN-UHFFFAOYSA-N 1 2 371.397 2.238 20 30 FEEDLO C=CC[C@H](CO)NC(=O)C1CCN(c2ccc3cccc(O)c3[nH+]2)CC1 ZINC000185763055 548031560 /nfs/dbraw/zinc/03/15/60/548031560.db2.gz NAJAQTMXBVVMCL-MRXNPFEDSA-N 1 2 355.438 2.210 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCCC[C@]2(C)C(N)=O)c1 ZINC000185919123 548058930 /nfs/dbraw/zinc/05/89/30/548058930.db2.gz NMTIOJKECUCAPX-HXUWFJFHSA-N 1 2 356.470 2.280 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCCC[C@]2(C)C(N)=O)c1 ZINC000185919123 548058934 /nfs/dbraw/zinc/05/89/34/548058934.db2.gz NMTIOJKECUCAPX-HXUWFJFHSA-N 1 2 356.470 2.280 20 30 FEEDLO C=CC[C@H](C(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1)c1ccccc1 ZINC000186234616 548104951 /nfs/dbraw/zinc/10/49/51/548104951.db2.gz BUQSCUIECVEIIC-IBGZPJMESA-N 1 2 355.482 2.113 20 30 FEEDLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)NCCCCC#N)CC1 ZINC000186872139 548208652 /nfs/dbraw/zinc/20/86/52/548208652.db2.gz WYYBCKNVSPVYQN-UHFFFAOYSA-N 1 2 357.458 2.166 20 30 FEEDLO Cn1ccc2cccc(NC(=O)N(CCC#N)CC[NH+]3CCOCC3)c21 ZINC000190050402 548316707 /nfs/dbraw/zinc/31/67/07/548316707.db2.gz FJERUBHMVZJUAE-UHFFFAOYSA-N 1 2 355.442 2.258 20 30 FEEDLO COc1cc[nH+]c(CN2CCN([C@H](C#N)c3ccccc3)CC2)c1OC ZINC000190880901 548336162 /nfs/dbraw/zinc/33/61/62/548336162.db2.gz VKTVURPCPWLPFM-GOSISDBHSA-N 1 2 352.438 2.481 20 30 FEEDLO COc1cc(OC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)ccc1C#N ZINC000195177764 548591414 /nfs/dbraw/zinc/59/14/14/548591414.db2.gz FGVJHTWYGILAKL-LJQANCHMSA-N 1 2 352.390 2.373 20 30 FEEDLO COc1cc(OC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)ccc1C#N ZINC000195177764 548591418 /nfs/dbraw/zinc/59/14/18/548591418.db2.gz FGVJHTWYGILAKL-LJQANCHMSA-N 1 2 352.390 2.373 20 30 FEEDLO C=CC[N@H+](Cc1ccc(OC[C@H]2CCCO2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000245597013 548954751 /nfs/dbraw/zinc/95/47/51/548954751.db2.gz HQAVJYSPLOSIGK-PKOBYXMFSA-N 1 2 365.495 2.420 20 30 FEEDLO C=CC[N@@H+](Cc1ccc(OC[C@H]2CCCO2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000245597013 548954753 /nfs/dbraw/zinc/95/47/53/548954753.db2.gz HQAVJYSPLOSIGK-PKOBYXMFSA-N 1 2 365.495 2.420 20 30 FEEDLO N#Cc1cc(S(=O)(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)ccc1F ZINC000488853414 561398143 /nfs/dbraw/zinc/39/81/43/561398143.db2.gz FGROJNMWTKGBPD-UHFFFAOYSA-N 1 2 370.409 2.421 20 30 FEEDLO C=C(CNC(=O)c1ccccc1S(=O)(=O)CC[NH+](C)C)c1ccccc1 ZINC000488888796 561398937 /nfs/dbraw/zinc/39/89/37/561398937.db2.gz JBGLNIPQDSIPBT-UHFFFAOYSA-N 1 2 372.490 2.465 20 30 FEEDLO COCC[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)[C@H]1CCO[C@@H]1C ZINC000489422468 561410692 /nfs/dbraw/zinc/41/06/92/561410692.db2.gz FGDCETYXNAXLKD-WBMJQRKESA-N 1 2 351.834 2.276 20 30 FEEDLO COCC[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)[C@H]1CCO[C@@H]1C ZINC000489422468 561410693 /nfs/dbraw/zinc/41/06/93/561410693.db2.gz FGDCETYXNAXLKD-WBMJQRKESA-N 1 2 351.834 2.276 20 30 FEEDLO C[C@H]1C[N@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)[C@@H](C)CO1 ZINC000249059886 549544618 /nfs/dbraw/zinc/54/46/18/549544618.db2.gz PQNJNABWOIXZJB-KBPBESRZSA-N 1 2 354.372 2.282 20 30 FEEDLO C[C@H]1C[N@@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)[C@@H](C)CO1 ZINC000249059886 549544622 /nfs/dbraw/zinc/54/46/22/549544622.db2.gz PQNJNABWOIXZJB-KBPBESRZSA-N 1 2 354.372 2.282 20 30 FEEDLO CO[C@@H]1C[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC[C@@H]1C ZINC000251657203 549650117 /nfs/dbraw/zinc/65/01/17/549650117.db2.gz HVLQNFJGTHEFCP-WMLDXEAASA-N 1 2 353.426 2.039 20 30 FEEDLO CO[C@@H]1C[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC[C@@H]1C ZINC000251657203 549650119 /nfs/dbraw/zinc/65/01/19/549650119.db2.gz HVLQNFJGTHEFCP-WMLDXEAASA-N 1 2 353.426 2.039 20 30 FEEDLO C#CCC[NH+]1CCN(C(=O)c2cc(Br)cnc2Cl)CC1 ZINC000263661400 549915430 /nfs/dbraw/zinc/91/54/30/549915430.db2.gz IRQNGAPCTPVVGB-UHFFFAOYSA-N 1 2 356.651 2.279 20 30 FEEDLO C#CCC[NH+]1CCN(C(=O)c2[nH]nc3ccc(Br)cc32)CC1 ZINC000264715157 550000107 /nfs/dbraw/zinc/00/01/07/550000107.db2.gz WSNSMDUZBNPSTK-UHFFFAOYSA-N 1 2 361.243 2.107 20 30 FEEDLO COc1cccc([C@H](C)[NH+]2CCN(S(=O)(=O)CCCC#N)CC2)c1 ZINC000264714825 550000368 /nfs/dbraw/zinc/00/03/68/550000368.db2.gz CLDITFOACYJMED-HNNXBMFYSA-N 1 2 351.472 2.007 20 30 FEEDLO C[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000264761537 550001059 /nfs/dbraw/zinc/00/10/59/550001059.db2.gz YHOVQXWIMNRPHQ-QFBILLFUSA-N 1 2 374.872 2.186 20 30 FEEDLO C[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000264761537 550001061 /nfs/dbraw/zinc/00/10/61/550001061.db2.gz YHOVQXWIMNRPHQ-QFBILLFUSA-N 1 2 374.872 2.186 20 30 FEEDLO COc1ccc(C(N)=[NH+]O[C@H](C)C(=O)Nc2ccc(OC)c(OC)c2)cc1 ZINC000264939615 550004441 /nfs/dbraw/zinc/00/44/41/550004441.db2.gz HPRYYWOBETXNHJ-GFCCVEGCSA-N 1 2 373.409 2.377 20 30 FEEDLO C#CCC[NH+]1CCN(C(=O)c2nc(C(C)C)n(-c3cccc(F)c3)n2)CC1 ZINC000265513664 550011055 /nfs/dbraw/zinc/01/10/55/550011055.db2.gz AVSAKICGUHBKRO-UHFFFAOYSA-N 1 2 369.444 2.311 20 30 FEEDLO CC(=O)NC(C)(C)C(N)=[NH+]OCCOc1ccc(OC(F)(F)F)cc1 ZINC000266648227 550022670 /nfs/dbraw/zinc/02/26/70/550022670.db2.gz XKQUYODNZYLBQB-UHFFFAOYSA-N 1 2 363.336 2.168 20 30 FEEDLO N#Cc1ccc(NC(=O)C(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)c(Cl)c1 ZINC000491571280 561446530 /nfs/dbraw/zinc/44/65/30/561446530.db2.gz BTMRBWMVKIVSPU-AWEZNQCLSA-N 1 2 370.796 2.225 20 30 FEEDLO CC(=O)N[C@H]1CC[C@@H](C(F)(F)F)N(Cc2c[nH+]c3ccc(C#N)cn23)C1 ZINC000492692198 561452275 /nfs/dbraw/zinc/45/22/75/561452275.db2.gz OWKBROLHZRRULG-ZFWWWQNUSA-N 1 2 365.359 2.237 20 30 FEEDLO C[C@H](Cc1ccncc1)NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000492909112 561453341 /nfs/dbraw/zinc/45/33/41/561453341.db2.gz BPQDSZXJVZNYOC-QGZVFWFLSA-N 1 2 363.465 2.412 20 30 FEEDLO N#Cc1ccc(CN2CC[NH+](C[C@H](O)c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000269671966 550215738 /nfs/dbraw/zinc/21/57/38/550215738.db2.gz OEZIXRTZDUSQGM-FQEVSTJZSA-N 1 2 366.421 2.318 20 30 FEEDLO N#CCCN(C(=O)C[NH+]1CCN(c2cncc(F)c2)CC1)c1ccccc1 ZINC000270925124 550321362 /nfs/dbraw/zinc/32/13/62/550321362.db2.gz PNRQQXJIEUGAOY-UHFFFAOYSA-N 1 2 367.428 2.290 20 30 FEEDLO N#CCCN(C(=O)C[N@@H+]1CC[C@H](N2CCCC2=O)C1)c1cccc(Cl)c1 ZINC000270975834 550327536 /nfs/dbraw/zinc/32/75/36/550327536.db2.gz WSVQXSHAVLMQJX-KRWDZBQOSA-N 1 2 374.872 2.283 20 30 FEEDLO N#CCCN(C(=O)C[N@H+]1CC[C@H](N2CCCC2=O)C1)c1cccc(Cl)c1 ZINC000270975834 550327537 /nfs/dbraw/zinc/32/75/37/550327537.db2.gz WSVQXSHAVLMQJX-KRWDZBQOSA-N 1 2 374.872 2.283 20 30 FEEDLO C=CC[NH+]1CCC(NS(=O)(=O)c2c(Cl)ccnc2Cl)CC1 ZINC000272225489 550429556 /nfs/dbraw/zinc/42/95/56/550429556.db2.gz OIEFWPKGNIJBBT-UHFFFAOYSA-N 1 2 350.271 2.317 20 30 FEEDLO C[C@@H]1CN(c2ccc(CNC(=O)N3CCC(C)(C#N)CC3)c[nH+]2)CCO1 ZINC000272469070 550450965 /nfs/dbraw/zinc/45/09/65/550450965.db2.gz WRFDXAXJFILTEV-OAHLLOKOSA-N 1 2 357.458 2.142 20 30 FEEDLO C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000272557917 550457796 /nfs/dbraw/zinc/45/77/96/550457796.db2.gz OCCCCTNODHEYTP-CYBMUJFWSA-N 1 2 367.409 2.045 20 30 FEEDLO COc1ccccc1-c1noc([C@H](C)[NH2+]CC(=O)N[C@@](C)(C#N)C2CC2)n1 ZINC000273408944 550497663 /nfs/dbraw/zinc/49/76/63/550497663.db2.gz SMTVQUAWTNELHE-BUXKBTBVSA-N 1 2 369.425 2.204 20 30 FEEDLO C#CC[N@@H+](CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F)C1CC1 ZINC000274029352 550520248 /nfs/dbraw/zinc/52/02/48/550520248.db2.gz DDBGXAVDSFVFPD-OAHLLOKOSA-N 1 2 365.355 2.390 20 30 FEEDLO C#CC[N@H+](CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F)C1CC1 ZINC000274029352 550520250 /nfs/dbraw/zinc/52/02/50/550520250.db2.gz DDBGXAVDSFVFPD-OAHLLOKOSA-N 1 2 365.355 2.390 20 30 FEEDLO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000494588861 561472165 /nfs/dbraw/zinc/47/21/65/561472165.db2.gz YPFCIIBOMNBLKR-KRWDZBQOSA-N 1 2 363.506 2.272 20 30 FEEDLO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000494588861 561472166 /nfs/dbraw/zinc/47/21/66/561472166.db2.gz YPFCIIBOMNBLKR-KRWDZBQOSA-N 1 2 363.506 2.272 20 30 FEEDLO Cc1cc(N(CCC#N)C(=O)C[NH2+][C@@H](C)c2nncn2C)ccc1Cl ZINC000275029370 550570415 /nfs/dbraw/zinc/57/04/15/550570415.db2.gz AFLMKGJSPFAWFI-ZDUSSCGKSA-N 1 2 360.849 2.374 20 30 FEEDLO C#CCOc1cccc(NC(=O)N2CC[C@@H]([N@H+](C)Cc3ncccn3)C2)c1 ZINC000275528384 550572764 /nfs/dbraw/zinc/57/27/64/550572764.db2.gz CAOVIOYLYYWTMC-QGZVFWFLSA-N 1 2 365.437 2.227 20 30 FEEDLO C#CCOc1cccc(NC(=O)N2CC[C@@H]([N@@H+](C)Cc3ncccn3)C2)c1 ZINC000275528384 550572766 /nfs/dbraw/zinc/57/27/66/550572766.db2.gz CAOVIOYLYYWTMC-QGZVFWFLSA-N 1 2 365.437 2.227 20 30 FEEDLO Cn1c[nH+]cc1[C@H]1C[C@@H](NC(=O)/C=C/c2ccc(OCC#N)cc2)CCO1 ZINC000276292304 550577842 /nfs/dbraw/zinc/57/78/42/550577842.db2.gz NNTKSYOFYNQJBN-VSJPACRFSA-N 1 2 366.421 2.372 20 30 FEEDLO N#CCCCCS(=O)(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000277254618 550648264 /nfs/dbraw/zinc/64/82/64/550648264.db2.gz WCGKHPZMTCUJHN-QGZVFWFLSA-N 1 2 367.540 2.217 20 30 FEEDLO N#CCCCCS(=O)(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000277254618 550648265 /nfs/dbraw/zinc/64/82/65/550648265.db2.gz WCGKHPZMTCUJHN-QGZVFWFLSA-N 1 2 367.540 2.217 20 30 FEEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[S@@](=O)C[C@H](C)C1 ZINC000277366331 550661537 /nfs/dbraw/zinc/66/15/37/550661537.db2.gz GYFBULABDMQQBF-HUYGQZFBSA-N 1 2 354.541 2.352 20 30 FEEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[S@@](=O)C[C@H](C)C1 ZINC000277366331 550661539 /nfs/dbraw/zinc/66/15/39/550661539.db2.gz GYFBULABDMQQBF-HUYGQZFBSA-N 1 2 354.541 2.352 20 30 FEEDLO N#CCCN(CCC(=O)Nc1ccc(Cl)cc1)CC[NH+]1CCOCC1 ZINC000277386402 550664218 /nfs/dbraw/zinc/66/42/18/550664218.db2.gz DFGXUKXLIHNWEQ-UHFFFAOYSA-N 1 2 364.877 2.216 20 30 FEEDLO N#CCC[N@@H+](CCC(=O)Nc1ccc(Cl)cc1)CCN1CCOCC1 ZINC000277386402 550664220 /nfs/dbraw/zinc/66/42/20/550664220.db2.gz DFGXUKXLIHNWEQ-UHFFFAOYSA-N 1 2 364.877 2.216 20 30 FEEDLO N#CCC[N@H+](CCC(=O)Nc1ccc(Cl)cc1)CCN1CCOCC1 ZINC000277386402 550664221 /nfs/dbraw/zinc/66/42/21/550664221.db2.gz DFGXUKXLIHNWEQ-UHFFFAOYSA-N 1 2 364.877 2.216 20 30 FEEDLO CCOC1CC(CNc2ccc([N+](=O)[O-])c(C#N)c2)([NH+]2CCOCC2)C1 ZINC000277784538 550713866 /nfs/dbraw/zinc/71/38/66/550713866.db2.gz FTSXDYRYKVIENJ-UHFFFAOYSA-N 1 2 360.414 2.148 20 30 FEEDLO CCOC1CC(CNc2nc3c(cc2C#N)CCC3)([NH+]2CCOCC2)C1 ZINC000278123412 550751926 /nfs/dbraw/zinc/75/19/26/550751926.db2.gz YNHDDBIADHEIFV-UHFFFAOYSA-N 1 2 356.470 2.124 20 30 FEEDLO C=CCNC(=O)CNC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000278499895 550792764 /nfs/dbraw/zinc/79/27/64/550792764.db2.gz ADIGEBPHOQKCHS-UHFFFAOYSA-N 1 2 353.426 2.310 20 30 FEEDLO N#Cc1ccc(CNC(=O)C[N@H+]2CCC[C@H](Oc3ncccc3F)C2)cc1 ZINC000278874390 550831314 /nfs/dbraw/zinc/83/13/14/550831314.db2.gz OMYFPMUIKWCHRL-KRWDZBQOSA-N 1 2 368.412 2.252 20 30 FEEDLO N#Cc1ccc(CNC(=O)C[N@@H+]2CCC[C@H](Oc3ncccc3F)C2)cc1 ZINC000278874390 550831316 /nfs/dbraw/zinc/83/13/16/550831316.db2.gz OMYFPMUIKWCHRL-KRWDZBQOSA-N 1 2 368.412 2.252 20 30 FEEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCO[C@@]3(CCO[C@H]3C)C2)c1C ZINC000280212174 550971614 /nfs/dbraw/zinc/97/16/14/550971614.db2.gz AEFKREUWYBXKHR-RXVVDRJESA-N 1 2 371.481 2.430 20 30 FEEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCO[C@@]3(CCO[C@H]3C)C2)c1C ZINC000280212174 550971615 /nfs/dbraw/zinc/97/16/15/550971615.db2.gz AEFKREUWYBXKHR-RXVVDRJESA-N 1 2 371.481 2.430 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCO[C@]3(CCO[C@H]3C)C2)c1 ZINC000280532278 551004655 /nfs/dbraw/zinc/00/46/55/551004655.db2.gz SLZBSQPLFITYJZ-GHTZIAJQSA-N 1 2 371.481 2.430 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCO[C@]3(CCO[C@H]3C)C2)c1 ZINC000280532278 551004657 /nfs/dbraw/zinc/00/46/57/551004657.db2.gz SLZBSQPLFITYJZ-GHTZIAJQSA-N 1 2 371.481 2.430 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@H](OCc3ccncc3)C2)cc1 ZINC000280931228 551046987 /nfs/dbraw/zinc/04/69/87/551046987.db2.gz HCSOOEBAOXNHRJ-SFHVURJKSA-N 1 2 371.462 2.018 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@H](OCc3ccncc3)C2)cc1 ZINC000280931228 551046989 /nfs/dbraw/zinc/04/69/89/551046989.db2.gz HCSOOEBAOXNHRJ-SFHVURJKSA-N 1 2 371.462 2.018 20 30 FEEDLO C=CCN1CC[C@@H]([N@@H+]2CCCC[C@H]2c2nnc(C3CCOCC3)o2)C1=O ZINC000281292289 551081873 /nfs/dbraw/zinc/08/18/73/551081873.db2.gz JHAQIYXNVTVJDR-JKSUJKDBSA-N 1 2 360.458 2.278 20 30 FEEDLO C=CCN1CC[C@@H]([N@H+]2CCCC[C@H]2c2nnc(C3CCOCC3)o2)C1=O ZINC000281292289 551081874 /nfs/dbraw/zinc/08/18/74/551081874.db2.gz JHAQIYXNVTVJDR-JKSUJKDBSA-N 1 2 360.458 2.278 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1=O ZINC000281325882 551084963 /nfs/dbraw/zinc/08/49/63/551084963.db2.gz LPEPWZZZRXLILX-RXCRORICSA-N 1 2 360.502 2.024 20 30 FEEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1=O ZINC000281325882 551084965 /nfs/dbraw/zinc/08/49/65/551084965.db2.gz LPEPWZZZRXLILX-RXCRORICSA-N 1 2 360.502 2.024 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N[C@@H](c2ccc(OC)cc2)C(C)C)C1=O ZINC000281327953 551085249 /nfs/dbraw/zinc/08/52/49/551085249.db2.gz LSLVYVJLCWMJMM-AZUAARDMSA-N 1 2 373.497 2.227 20 30 FEEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N[C@@H](c2ccc(OC)cc2)C(C)C)C1=O ZINC000281327953 551085251 /nfs/dbraw/zinc/08/52/51/551085251.db2.gz LSLVYVJLCWMJMM-AZUAARDMSA-N 1 2 373.497 2.227 20 30 FEEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)N(CC)[C@H](C)c2ccc(F)cc2)C1=O ZINC000281455557 551099507 /nfs/dbraw/zinc/09/95/07/551099507.db2.gz UWWNKOLLBCBGAX-CRAIPNDOSA-N 1 2 361.461 2.454 20 30 FEEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)N(CC)[C@H](C)c2ccc(F)cc2)C1=O ZINC000281455557 551099508 /nfs/dbraw/zinc/09/95/08/551099508.db2.gz UWWNKOLLBCBGAX-CRAIPNDOSA-N 1 2 361.461 2.454 20 30 FEEDLO C#C[C@H](NC(=O)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)C(C)C ZINC000281579603 551115778 /nfs/dbraw/zinc/11/57/78/551115778.db2.gz QNRNBBDTPIHOIX-KRWDZBQOSA-N 1 2 362.433 2.314 20 30 FEEDLO C=CCn1c(C)nnc1N1CC[NH+]([C@@H](C)C(=O)Nc2cccc(F)c2)CC1 ZINC000282203784 551194610 /nfs/dbraw/zinc/19/46/10/551194610.db2.gz HEWDSUWZOQLSJV-AWEZNQCLSA-N 1 2 372.448 2.061 20 30 FEEDLO CNc1cc(N2CCC[C@@H]2CNC(=O)NCC2CCC(C#N)CC2)nc[nH+]1 ZINC000282245386 551200410 /nfs/dbraw/zinc/20/04/10/551200410.db2.gz GETBDBHGLQKBKD-UYSNPLJNSA-N 1 2 371.489 2.116 20 30 FEEDLO CNc1cc(N2CCC[C@@H]2CNC(=O)NCC2CCC(C#N)CC2)[nH+]cn1 ZINC000282245386 551200413 /nfs/dbraw/zinc/20/04/13/551200413.db2.gz GETBDBHGLQKBKD-UYSNPLJNSA-N 1 2 371.489 2.116 20 30 FEEDLO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@@H](C)[N@@H+]2Cc2cn3ccccc3c2C#N)O1 ZINC000282479499 551234647 /nfs/dbraw/zinc/23/46/47/551234647.db2.gz OOOUDOJZNJPYKY-XEKGUZQTSA-N 1 2 353.422 2.494 20 30 FEEDLO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@@H](C)[N@H+]2Cc2cn3ccccc3c2C#N)O1 ZINC000282479499 551234649 /nfs/dbraw/zinc/23/46/49/551234649.db2.gz OOOUDOJZNJPYKY-XEKGUZQTSA-N 1 2 353.422 2.494 20 30 FEEDLO C=CCn1c(-c2ccc[nH]2)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC000282521304 551241484 /nfs/dbraw/zinc/24/14/84/551241484.db2.gz GMFJPAWTYMKHDX-UHFFFAOYSA-N 1 2 353.430 2.078 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Nc1nc(C2CCC2)cs1 ZINC000282953974 551289503 /nfs/dbraw/zinc/28/95/03/551289503.db2.gz IBINPTVHKCPGDS-UHFFFAOYSA-N 1 2 363.487 2.490 20 30 FEEDLO C#Cc1cc(F)c(NC(=O)C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c(F)c1 ZINC000283278509 551340602 /nfs/dbraw/zinc/34/06/02/551340602.db2.gz NLTXUIMRKSISTE-BLLLJJGKSA-N 1 2 372.375 2.191 20 30 FEEDLO CN(C)c1ncnc(Cl)c1CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000283658063 551404813 /nfs/dbraw/zinc/40/48/13/551404813.db2.gz UKHZJSFNXDZZRN-UHFFFAOYSA-N 1 2 370.888 2.385 20 30 FEEDLO CCn1cc[nH+]c1[C@@H](NC(=O)/C(=N/OC)c1ccco1)C1CCOCC1 ZINC000285069096 551700126 /nfs/dbraw/zinc/70/01/26/551700126.db2.gz PABFTWDKGLMVKH-SSPLZPMDSA-N 1 2 360.414 2.131 20 30 FEEDLO C=CC[N@H+](CCC(=O)N1CCCc2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000285077048 551701043 /nfs/dbraw/zinc/70/10/43/551701043.db2.gz PLWFJYGZEWZPCB-QGZVFWFLSA-N 1 2 362.495 2.031 20 30 FEEDLO C=CC[N@@H+](CCC(=O)N1CCCc2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000285077048 551701044 /nfs/dbraw/zinc/70/10/44/551701044.db2.gz PLWFJYGZEWZPCB-QGZVFWFLSA-N 1 2 362.495 2.031 20 30 FEEDLO CCOc1ccc(O)c(/C=[NH+]/C[C@@H]2CCCC[C@H]2NS(C)(=O)=O)c1 ZINC000285434237 551756239 /nfs/dbraw/zinc/75/62/39/551756239.db2.gz OZYXTGPBOFGIIQ-KLFQZFQVSA-N 1 2 354.472 2.318 20 30 FEEDLO Cc1ccc(C#N)c(N2CC[C@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)n1 ZINC000286252017 551865795 /nfs/dbraw/zinc/86/57/95/551865795.db2.gz DMNGPDXJFUWZHY-KRWDZBQOSA-N 1 2 371.485 2.393 20 30 FEEDLO COC(=O)[C@@]1(C(F)(F)F)CC[N@@H+]([C@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000286350911 551877326 /nfs/dbraw/zinc/87/73/26/551877326.db2.gz FNMJUCBCQTVIQZ-BDJLRTHQSA-N 1 2 369.343 2.313 20 30 FEEDLO COC(=O)[C@@]1(C(F)(F)F)CC[N@H+]([C@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000286350911 551877328 /nfs/dbraw/zinc/87/73/28/551877328.db2.gz FNMJUCBCQTVIQZ-BDJLRTHQSA-N 1 2 369.343 2.313 20 30 FEEDLO N#Cc1ccc(N2CC[C@H]([N@H+]3CC[C@@H](C(F)(F)F)[C@@H](CO)C3)C2=O)cc1 ZINC000286631051 551908674 /nfs/dbraw/zinc/90/86/74/551908674.db2.gz SNUINIVEOFNEKI-BMFZPTHFSA-N 1 2 367.371 2.156 20 30 FEEDLO N#Cc1ccc(N2CC[C@H]([N@@H+]3CC[C@@H](C(F)(F)F)[C@@H](CO)C3)C2=O)cc1 ZINC000286631051 551908675 /nfs/dbraw/zinc/90/86/75/551908675.db2.gz SNUINIVEOFNEKI-BMFZPTHFSA-N 1 2 367.371 2.156 20 30 FEEDLO CNC(=O)OC[C@@H]1CCCC[N@@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000286660954 551911673 /nfs/dbraw/zinc/91/16/73/551911673.db2.gz ASHNRZWYRXEDMO-KRWDZBQOSA-N 1 2 358.442 2.144 20 30 FEEDLO CNC(=O)OC[C@@H]1CCCC[N@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000286660954 551911674 /nfs/dbraw/zinc/91/16/74/551911674.db2.gz ASHNRZWYRXEDMO-KRWDZBQOSA-N 1 2 358.442 2.144 20 30 FEEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCC[C@@](F)(CO)C1 ZINC000286737322 551920309 /nfs/dbraw/zinc/92/03/09/551920309.db2.gz DIQSEFMIQHKGQG-KDOFPFPSSA-N 1 2 351.397 2.257 20 30 FEEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCC[C@@](F)(CO)C1 ZINC000286737322 551920311 /nfs/dbraw/zinc/92/03/11/551920311.db2.gz DIQSEFMIQHKGQG-KDOFPFPSSA-N 1 2 351.397 2.257 20 30 FEEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCC[C@](F)(CO)C1 ZINC000286737316 551920399 /nfs/dbraw/zinc/92/03/99/551920399.db2.gz DIQSEFMIQHKGQG-KBXCAEBGSA-N 1 2 351.397 2.257 20 30 FEEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCC[C@](F)(CO)C1 ZINC000286737316 551920401 /nfs/dbraw/zinc/92/04/01/551920401.db2.gz DIQSEFMIQHKGQG-KBXCAEBGSA-N 1 2 351.397 2.257 20 30 FEEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000286813883 551928618 /nfs/dbraw/zinc/92/86/18/551928618.db2.gz JVXRGHLFIDOINA-OCCSQVGLSA-N 1 2 350.216 2.251 20 30 FEEDLO N#Cc1cc(Br)ccc1C[N@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000286813883 551928620 /nfs/dbraw/zinc/92/86/20/551928620.db2.gz JVXRGHLFIDOINA-OCCSQVGLSA-N 1 2 350.216 2.251 20 30 FEEDLO CCOC1CC([N@H+](C)CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000286995371 551949438 /nfs/dbraw/zinc/94/94/38/551949438.db2.gz PSMMSLNYSQAPNS-SSDMNJCBSA-N 1 2 354.410 2.011 20 30 FEEDLO CCOC1CC([N@@H+](C)CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000286995371 551949439 /nfs/dbraw/zinc/94/94/39/551949439.db2.gz PSMMSLNYSQAPNS-SSDMNJCBSA-N 1 2 354.410 2.011 20 30 FEEDLO CCOc1ccc(C#N)cc1NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000287183260 551973970 /nfs/dbraw/zinc/97/39/70/551973970.db2.gz XZEKVKYMGKGVQF-GOEBONIOSA-N 1 2 358.442 2.284 20 30 FEEDLO CCn1cc(CC(=O)N(CCC#N)CC[NH+]2CCOCC2)c2ccccc21 ZINC000499333705 561549068 /nfs/dbraw/zinc/54/90/68/561549068.db2.gz RYNRIOGIMLRUHJ-UHFFFAOYSA-N 1 2 368.481 2.278 20 30 FEEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000287530764 552016050 /nfs/dbraw/zinc/01/60/50/552016050.db2.gz VOTNVOQOPXYKTM-PBHICJAKSA-N 1 2 366.421 2.148 20 30 FEEDLO Cn1c2c([nH+]c1[C@H]1CCCN1S(=O)(=O)c1ccc(C#N)o1)CCCC2 ZINC000287585527 552022154 /nfs/dbraw/zinc/02/21/54/552022154.db2.gz YMEBEGPOGDQIHG-OAHLLOKOSA-N 1 2 360.439 2.289 20 30 FEEDLO C#CC[C@H](Cc1ccccc1)NC(=O)N1CC[C@@H]([NH+]2CCN(CC)CC2)C1 ZINC000288240564 552116897 /nfs/dbraw/zinc/11/68/97/552116897.db2.gz SFWNDKOFORGRBS-NHCUHLMSSA-N 1 2 368.525 2.042 20 30 FEEDLO Cc1onc(CC(=O)N[C@@H](c2[nH+]ccn2C)c2cccc(F)c2)c1C#N ZINC000499715083 561556805 /nfs/dbraw/zinc/55/68/05/561556805.db2.gz VJMJVTUHEIFENZ-QGZVFWFLSA-N 1 2 353.357 2.176 20 30 FEEDLO C#C[C@H](NC(=O)C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1)C(C)(C)C ZINC000288483109 552160873 /nfs/dbraw/zinc/16/08/73/552160873.db2.gz SUANIWOSCYFGQP-QAPCUYQASA-N 1 2 371.481 2.182 20 30 FEEDLO CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@H](C#N)c1c(Cl)cccc1Cl ZINC000499865351 561560147 /nfs/dbraw/zinc/56/01/47/561560147.db2.gz VDMAZUPJCOVNIP-CYBMUJFWSA-N 1 2 371.268 2.131 20 30 FEEDLO CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@H](C#N)c1c(Cl)cccc1Cl ZINC000499865351 561560148 /nfs/dbraw/zinc/56/01/48/561560148.db2.gz VDMAZUPJCOVNIP-CYBMUJFWSA-N 1 2 371.268 2.131 20 30 FEEDLO N#Cc1cccc(CNC(=O)C[NH2+][C@H](CO)c2cccc(Cl)c2F)c1 ZINC000499951750 561562864 /nfs/dbraw/zinc/56/28/64/561562864.db2.gz HPMWLDVCOOEYIO-MRXNPFEDSA-N 1 2 361.804 2.290 20 30 FEEDLO C#CC[C@@]1(C(=O)N[C@H](C)Cn2cc[nH+]c2)CCCN1C(=O)OC(C)(C)C ZINC000289356905 552306623 /nfs/dbraw/zinc/30/66/23/552306623.db2.gz YERXVRMURXSYQD-BEFAXECRSA-N 1 2 360.458 2.181 20 30 FEEDLO C#Cc1ccc(C[N@@H+](CC(F)F)C2CCN(S(C)(=O)=O)CC2)cc1 ZINC000289598376 552347067 /nfs/dbraw/zinc/34/70/67/552347067.db2.gz IVYQGWGUGQLDHK-UHFFFAOYSA-N 1 2 356.438 2.159 20 30 FEEDLO C#Cc1ccc(C[N@H+](CC(F)F)C2CCN(S(C)(=O)=O)CC2)cc1 ZINC000289598376 552347069 /nfs/dbraw/zinc/34/70/69/552347069.db2.gz IVYQGWGUGQLDHK-UHFFFAOYSA-N 1 2 356.438 2.159 20 30 FEEDLO Cc1cc[nH+]cc1N1CCN(C(=O)c2ccn(-c3cccc(C#N)c3)n2)CC1 ZINC000500690021 561579519 /nfs/dbraw/zinc/57/95/19/561579519.db2.gz WJJGJKZTJWNCAF-UHFFFAOYSA-N 1 2 372.432 2.410 20 30 FEEDLO CC(C)(C)n1cc(C#N)cc1NC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000500764958 561581585 /nfs/dbraw/zinc/58/15/85/561581585.db2.gz NIAZYSSXADOZKL-UHFFFAOYSA-N 1 2 355.446 2.188 20 30 FEEDLO Cc1nsc(N2CCN(C(=O)Nc3ccn4cc[nH+]c4c3)CC2)c1C#N ZINC000290584961 552502492 /nfs/dbraw/zinc/50/24/92/552502492.db2.gz GCRRUWDGDMOQJB-UHFFFAOYSA-N 1 2 367.438 2.325 20 30 FEEDLO C=CCc1cc(C(=O)N2CC[C@@H]([NH+]3CCOCC3)[C@H]2C)cc(OC)c1OC ZINC000291216244 552601538 /nfs/dbraw/zinc/60/15/38/552601538.db2.gz GGALJIYRORPUIW-CRAIPNDOSA-N 1 2 374.481 2.368 20 30 FEEDLO N#Cc1ccc(N2CC[C@@H](N3CC[NH+](Cc4ccco4)CC3)C2=O)cc1 ZINC000291460043 552626779 /nfs/dbraw/zinc/62/67/79/552626779.db2.gz AIXNDTYLAKWWEZ-LJQANCHMSA-N 1 2 350.422 2.074 20 30 FEEDLO C[C@@H](C(=O)Nc1cccnc1Cl)[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292102546 552694257 /nfs/dbraw/zinc/69/42/57/552694257.db2.gz GMMXOUZNVSOQQR-JSGCOSHPSA-N 1 2 371.828 2.482 20 30 FEEDLO C[C@@H](C(=O)Nc1cccnc1Cl)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292102546 552694258 /nfs/dbraw/zinc/69/42/58/552694258.db2.gz GMMXOUZNVSOQQR-JSGCOSHPSA-N 1 2 371.828 2.482 20 30 FEEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@@H](CS(C)(=O)=O)C1 ZINC000292117448 552695577 /nfs/dbraw/zinc/69/55/77/552695577.db2.gz GIVHRUWCFVGPLO-LSDHHAIUSA-N 1 2 370.540 2.018 20 30 FEEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@@H](CS(C)(=O)=O)C1 ZINC000292117448 552695578 /nfs/dbraw/zinc/69/55/78/552695578.db2.gz GIVHRUWCFVGPLO-LSDHHAIUSA-N 1 2 370.540 2.018 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1cnc2c(F)cccc2c1 ZINC000292128710 552696610 /nfs/dbraw/zinc/69/66/10/552696610.db2.gz BSOHZFKKFVBJPX-UHFFFAOYSA-N 1 2 356.401 2.062 20 30 FEEDLO C[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000292128735 552696689 /nfs/dbraw/zinc/69/66/89/552696689.db2.gz IMQWUJPRKTYZMH-OAHLLOKOSA-N 1 2 360.401 2.023 20 30 FEEDLO C[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000292128735 552696690 /nfs/dbraw/zinc/69/66/90/552696690.db2.gz IMQWUJPRKTYZMH-OAHLLOKOSA-N 1 2 360.401 2.023 20 30 FEEDLO C=CC[N@@H+](CCC#N)CCC(=O)Nc1sc2c(c1C(N)=O)CCCC2 ZINC000292307606 552714675 /nfs/dbraw/zinc/71/46/75/552714675.db2.gz VDGOYGVCGOBGLW-UHFFFAOYSA-N 1 2 360.483 2.456 20 30 FEEDLO C=CC[N@H+](CCC#N)CCC(=O)Nc1sc2c(c1C(N)=O)CCCC2 ZINC000292307606 552714677 /nfs/dbraw/zinc/71/46/77/552714677.db2.gz VDGOYGVCGOBGLW-UHFFFAOYSA-N 1 2 360.483 2.456 20 30 FEEDLO C[C@@H]1CN(C(=O)C(C)(C)C)C[C@@H](C)[NH+]1CC(=O)NCc1ccc(C#N)cc1 ZINC000292316956 552715267 /nfs/dbraw/zinc/71/52/67/552715267.db2.gz NTSNGONXZWSUPD-HZPDHXFCSA-N 1 2 370.497 2.142 20 30 FEEDLO C=CCCCS(=O)(=O)NCC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000293415264 552821262 /nfs/dbraw/zinc/82/12/62/552821262.db2.gz NHDWEECSCJKRMN-UHFFFAOYSA-N 1 2 355.504 2.389 20 30 FEEDLO C=CCn1c(=O)c2ccc(C(=O)N[C@@H](C)CCCC[NH3+])cc2[nH]c1=S ZINC000293584247 552837662 /nfs/dbraw/zinc/83/76/62/552837662.db2.gz YSLAYLSODZYTAF-LBPRGKRZSA-N 1 2 360.483 2.119 20 30 FEEDLO N#Cc1cc(F)ccc1CS(=O)(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000294312639 552896060 /nfs/dbraw/zinc/89/60/60/552896060.db2.gz IDZLUKOIFOPGKC-UHFFFAOYSA-N 1 2 374.441 2.312 20 30 FEEDLO N#Cc1c(F)cccc1N1CC[NH+](Cc2ccc3c(c2)NC(=O)CO3)CC1 ZINC000295405179 553001009 /nfs/dbraw/zinc/00/10/09/553001009.db2.gz RDVOPFFAIKWBLM-UHFFFAOYSA-N 1 2 366.396 2.350 20 30 FEEDLO CCn1c(C(=O)N(CCC#N)CC[NH+]2CCOCC2)cc2ccccc21 ZINC000502552210 561620790 /nfs/dbraw/zinc/62/07/90/561620790.db2.gz PFCKCYOUOULTOU-UHFFFAOYSA-N 1 2 354.454 2.349 20 30 FEEDLO N#Cc1cc(Br)cnc1N1CC[NH+](Cc2ccncc2)CC1 ZINC000296584734 553183043 /nfs/dbraw/zinc/18/30/43/553183043.db2.gz RMQWQRHAOBWIOY-UHFFFAOYSA-N 1 2 358.243 2.433 20 30 FEEDLO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CC(=O)N(C)[C@@H](C)C3)sc2C1 ZINC000502952378 561630826 /nfs/dbraw/zinc/63/08/26/561630826.db2.gz LNNPPOIHOBNBFL-STQMWFEESA-N 1 2 374.510 2.236 20 30 FEEDLO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CC(=O)N(C)[C@@H](C)C3)sc2C1 ZINC000502952378 561630827 /nfs/dbraw/zinc/63/08/27/561630827.db2.gz LNNPPOIHOBNBFL-STQMWFEESA-N 1 2 374.510 2.236 20 30 FEEDLO N#CCc1ccc(C[N@H+]2CCNC(=O)[C@@H]2Cc2nc3ccccc3o2)cc1 ZINC000503224802 561637325 /nfs/dbraw/zinc/63/73/25/561637325.db2.gz UHLWFCUASKALAL-SFHVURJKSA-N 1 2 360.417 2.437 20 30 FEEDLO N#CCc1ccc(C[N@@H+]2CCNC(=O)[C@@H]2Cc2nc3ccccc3o2)cc1 ZINC000503224802 561637326 /nfs/dbraw/zinc/63/73/26/561637326.db2.gz UHLWFCUASKALAL-SFHVURJKSA-N 1 2 360.417 2.437 20 30 FEEDLO COc1ccc(C(N)=[NH+]OCC(=O)N[C@@H](C)c2cccs2)cc1OC ZINC000298094322 553383096 /nfs/dbraw/zinc/38/30/96/553383096.db2.gz MNJPULRHRGFPMP-NSHDSACASA-N 1 2 363.439 2.280 20 30 FEEDLO Cc1ncc(CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000299160648 553523091 /nfs/dbraw/zinc/52/30/91/553523091.db2.gz KKTBFHGREUFLCL-UHFFFAOYSA-N 1 2 355.467 2.351 20 30 FEEDLO C[C@@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN(c3ccc(F)cc3C#N)CC2)C1 ZINC000301156730 553626592 /nfs/dbraw/zinc/62/65/92/553626592.db2.gz ANQWYADWRPKNOZ-IYBDPMFKSA-N 1 2 358.461 2.324 20 30 FEEDLO Cn1cc[nH+]c1CN1CCN(c2ccc(Br)cc2C#N)CC1 ZINC000302203586 553710448 /nfs/dbraw/zinc/71/04/48/553710448.db2.gz WBKCTPOIYVCFSX-UHFFFAOYSA-N 1 2 360.259 2.376 20 30 FEEDLO Cn1ncc2c1nc(N[C@@H]1CCCN(c3ccc(C#N)cc3F)C1)[nH+]c2N ZINC000302891347 553740733 /nfs/dbraw/zinc/74/07/33/553740733.db2.gz PQOVCGDDJUIQTI-GFCCVEGCSA-N 1 2 366.404 2.037 20 30 FEEDLO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000321360661 553766269 /nfs/dbraw/zinc/76/62/69/553766269.db2.gz YKIZGMYGKHRFCA-GXTWGEPZSA-N 1 2 353.875 2.459 20 30 FEEDLO C[C@H]1C[N@H+]2CCCC[C@@H]2CN1S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000321360661 553766270 /nfs/dbraw/zinc/76/62/70/553766270.db2.gz YKIZGMYGKHRFCA-GXTWGEPZSA-N 1 2 353.875 2.459 20 30 FEEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N[C@@H]1CCCN(c3ncccn3)C1)CCC2 ZINC000328646263 553801934 /nfs/dbraw/zinc/80/19/34/553801934.db2.gz GSPWJYSSORLHTO-JKSUJKDBSA-N 1 2 369.473 2.032 20 30 FEEDLO COCC1(CNC(=O)N2CC[NH+](Cc3cnc(C)s3)CC2)CCC1 ZINC000328723766 553812744 /nfs/dbraw/zinc/81/27/44/553812744.db2.gz SMQMJFVHBBQUCW-UHFFFAOYSA-N 1 2 352.504 2.300 20 30 FEEDLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)[C@H]3CCCC(=O)N3)c2)CC1 ZINC000328767102 553819410 /nfs/dbraw/zinc/81/94/10/553819410.db2.gz BDIFTUQGTSGPLL-QGZVFWFLSA-N 1 2 358.442 2.448 20 30 FEEDLO CC[C@@H]1CN(C(=O)[C@@H](Cc2c[nH+]c[nH]2)NC(=O)C2CCCCC2)CCO1 ZINC000328796982 553823605 /nfs/dbraw/zinc/82/36/05/553823605.db2.gz VJPSYUVNXNMQPL-IAGOWNOFSA-N 1 2 362.474 2.495 20 30 FEEDLO CC[C@@H]1CN(C(=O)[C@@H](Cc2c[nH]c[nH+]2)NC(=O)C2CCCCC2)CCO1 ZINC000328796982 553823606 /nfs/dbraw/zinc/82/36/06/553823606.db2.gz VJPSYUVNXNMQPL-IAGOWNOFSA-N 1 2 362.474 2.495 20 30 FEEDLO COC1(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)[nH+]c2)CCOCC1 ZINC000328852513 553832794 /nfs/dbraw/zinc/83/27/94/553832794.db2.gz IUXFRKCPGMBICA-GJZGRUSLSA-N 1 2 363.458 2.347 20 30 FEEDLO Cc1cn2cc(NC(=O)[C@H]3CC(=O)N(C)[C@@H]3c3ccnn3C)ccc2[nH+]1 ZINC000328852232 553833036 /nfs/dbraw/zinc/83/30/36/553833036.db2.gz ISJSGAYTXMQSBE-GUYCJALGSA-N 1 2 352.398 2.184 20 30 FEEDLO C=CCCc1ccccc1NC(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000505872865 561683403 /nfs/dbraw/zinc/68/34/03/561683403.db2.gz UBCNAHRFSMNSMC-LJQANCHMSA-N 1 2 373.497 2.217 20 30 FEEDLO C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000328910374 553843259 /nfs/dbraw/zinc/84/32/59/553843259.db2.gz NJQPDXVNLBRKNT-ODSJRVHRSA-N 1 2 360.458 2.377 20 30 FEEDLO C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000328910374 553843260 /nfs/dbraw/zinc/84/32/60/553843260.db2.gz NJQPDXVNLBRKNT-ODSJRVHRSA-N 1 2 360.458 2.377 20 30 FEEDLO CN(C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1)[C@@H]1CCNC1=O ZINC000328985789 553859127 /nfs/dbraw/zinc/85/91/27/553859127.db2.gz ZTUVQCRNXRYMPA-RRFJBIMHSA-N 1 2 352.385 2.285 20 30 FEEDLO CN(C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1)[C@@H]1CCNC1=O ZINC000328985789 553859128 /nfs/dbraw/zinc/85/91/28/553859128.db2.gz ZTUVQCRNXRYMPA-RRFJBIMHSA-N 1 2 352.385 2.285 20 30 FEEDLO CC(C)Cn1ncc(NC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)c1C(F)F ZINC000329004239 553862712 /nfs/dbraw/zinc/86/27/12/553862712.db2.gz YHGSITFGXVDMEM-KGLIPLIRSA-N 1 2 371.432 2.427 20 30 FEEDLO CC(C)Cn1ncc(NC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)c1C(F)F ZINC000329004239 553862716 /nfs/dbraw/zinc/86/27/16/553862716.db2.gz YHGSITFGXVDMEM-KGLIPLIRSA-N 1 2 371.432 2.427 20 30 FEEDLO Cc1cccnc1C(=O)N[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C ZINC000329041499 553870212 /nfs/dbraw/zinc/87/02/12/553870212.db2.gz IHKWSTLXPRIHFP-RDTXWAMCSA-N 1 2 353.426 2.323 20 30 FEEDLO COc1ccc(CNC(=O)C[N@@H+]2CCO[C@@]3(CCCOC3)C2)cc1OC ZINC000329081103 553876929 /nfs/dbraw/zinc/87/69/29/553876929.db2.gz RSBMCVVKZRSBSV-IBGZPJMESA-N 1 2 364.442 2.042 20 30 FEEDLO COc1ccc(CNC(=O)C[N@H+]2CCO[C@@]3(CCCOC3)C2)cc1OC ZINC000329081103 553876930 /nfs/dbraw/zinc/87/69/30/553876930.db2.gz RSBMCVVKZRSBSV-IBGZPJMESA-N 1 2 364.442 2.042 20 30 FEEDLO N#Cc1cc2c(nc1NCC[NH+]1CCN(C(=O)C3CCC3)CC1)CCCC2 ZINC000329110583 553882206 /nfs/dbraw/zinc/88/22/06/553882206.db2.gz GKGXJLSFYDMJSI-UHFFFAOYSA-N 1 2 367.497 2.188 20 30 FEEDLO CCC(=O)N1CSC[C@@H]1C(=O)N[C@H](c1[nH+]ccn1C)C1CCOCC1 ZINC000329212360 553903626 /nfs/dbraw/zinc/90/36/26/553903626.db2.gz ZVRMEWUPUMVQND-HIFRSBDPSA-N 1 2 366.487 2.156 20 30 FEEDLO CC(C)O[C@@H]1C[C@H](NC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)C1(C)C ZINC000329234830 553908121 /nfs/dbraw/zinc/90/81/21/553908121.db2.gz MZQKFIHAPZTSQM-WCXIOVBPSA-N 1 2 353.507 2.288 20 30 FEEDLO CC(=O)N1CCC(NC([O-])=[NH+][C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)CC1 ZINC000329284091 553917864 /nfs/dbraw/zinc/91/78/64/553917864.db2.gz OJFWTMXXJQTHHS-HNNXBMFYSA-N 1 2 361.490 2.010 20 30 FEEDLO CC(=O)N1CCC([NH+]=C([O-])N[C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)CC1 ZINC000329284091 553917866 /nfs/dbraw/zinc/91/78/66/553917866.db2.gz OJFWTMXXJQTHHS-HNNXBMFYSA-N 1 2 361.490 2.010 20 30 FEEDLO CN(C)C(=O)[C@H]1CC[C@@H](C(=O)N[C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)O1 ZINC000329302544 553920887 /nfs/dbraw/zinc/92/08/87/553920887.db2.gz WMNODQCDRDTNHH-MELADBBJSA-N 1 2 362.474 2.088 20 30 FEEDLO CC[N@@H+]1CCOC[C@H]1C(=O)N1CCC(NC(=O)CC2CCCC2)CC1 ZINC000329359891 553931863 /nfs/dbraw/zinc/93/18/63/553931863.db2.gz GQRPUHRZCQGHPS-KRWDZBQOSA-N 1 2 351.491 2.235 20 30 FEEDLO CC[N@H+]1CCOC[C@H]1C(=O)N1CCC(NC(=O)CC2CCCC2)CC1 ZINC000329359891 553931867 /nfs/dbraw/zinc/93/18/67/553931867.db2.gz GQRPUHRZCQGHPS-KRWDZBQOSA-N 1 2 351.491 2.235 20 30 FEEDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)CO[C@H]2CCCC[C@H]2C)CC1 ZINC000329435566 553946664 /nfs/dbraw/zinc/94/66/64/553946664.db2.gz LOIVKRUPPCFNPY-VYDXJSESSA-N 1 2 351.491 2.233 20 30 FEEDLO Cc1cc(NC(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)cnc1N1CCCC[C@H]1C ZINC000329438898 553947089 /nfs/dbraw/zinc/94/70/89/553947089.db2.gz AREYQKYKHFQLMZ-BPQIPLTHSA-N 1 2 373.501 2.329 20 30 FEEDLO Cc1cc(NC(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)cnc1N1CCCC[C@H]1C ZINC000329438898 553947091 /nfs/dbraw/zinc/94/70/91/553947091.db2.gz AREYQKYKHFQLMZ-BPQIPLTHSA-N 1 2 373.501 2.329 20 30 FEEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)N[C@@H]1CCOC2(CCCC2)C1 ZINC000329542353 553965217 /nfs/dbraw/zinc/96/52/17/553965217.db2.gz NQGRLFWUTSSCHF-ZACQAIPSSA-N 1 2 351.491 2.187 20 30 FEEDLO Cc1ccc(NC(=O)NC(=O)C[N@H+](C)C[C@@H]2CCS(=O)(=O)C2)cc1C ZINC000329576579 553970561 /nfs/dbraw/zinc/97/05/61/553970561.db2.gz OJEWPIOJGIRSDK-AWEZNQCLSA-N 1 2 367.471 2.158 20 30 FEEDLO Cc1ccc(NC(=O)NC(=O)C[N@@H+](C)C[C@@H]2CCS(=O)(=O)C2)cc1C ZINC000329576579 553970564 /nfs/dbraw/zinc/97/05/64/553970564.db2.gz OJEWPIOJGIRSDK-AWEZNQCLSA-N 1 2 367.471 2.158 20 30 FEEDLO CC(C)C(=O)N1CCC(NC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000329579240 553970705 /nfs/dbraw/zinc/97/07/05/553970705.db2.gz PIKCGJXCRVDWKH-QGZVFWFLSA-N 1 2 351.491 2.233 20 30 FEEDLO CC(C)C(=O)N1CCC(NC(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000329579240 553970708 /nfs/dbraw/zinc/97/07/08/553970708.db2.gz PIKCGJXCRVDWKH-QGZVFWFLSA-N 1 2 351.491 2.233 20 30 FEEDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@@H]1CCC(=O)N[C@H]1C(C)(C)C ZINC000329690598 553989900 /nfs/dbraw/zinc/98/99/00/553989900.db2.gz BPIUGDWEOMAVOG-SQWLQELKSA-N 1 2 354.495 2.087 20 30 FEEDLO C[C@@H]1CCCC[C@@H]1NC(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1 ZINC000329904271 554028364 /nfs/dbraw/zinc/02/83/64/554028364.db2.gz JAIZVHXCZJFIJP-IWCQGFGOSA-N 1 2 351.470 2.415 20 30 FEEDLO C[C@@H]1CCCC[C@@H]1NC(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1 ZINC000329904271 554028366 /nfs/dbraw/zinc/02/83/66/554028366.db2.gz JAIZVHXCZJFIJP-IWCQGFGOSA-N 1 2 351.470 2.415 20 30 FEEDLO C[C@@H](C(=O)NCC[N@@H+]1CCCC(C)(C)C1)S(=O)(=O)C1CCOCC1 ZINC000329905247 554028568 /nfs/dbraw/zinc/02/85/68/554028568.db2.gz RKXBRNRKJSQKEX-AWEZNQCLSA-N 1 2 360.520 2.047 20 30 FEEDLO C[C@@H](C(=O)NCC[N@H+]1CCCC(C)(C)C1)S(=O)(=O)C1CCOCC1 ZINC000329905247 554028570 /nfs/dbraw/zinc/02/85/70/554028570.db2.gz RKXBRNRKJSQKEX-AWEZNQCLSA-N 1 2 360.520 2.047 20 30 FEEDLO C[C@@H]1CN(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C[C@H](CO)O1 ZINC000329960400 554038922 /nfs/dbraw/zinc/03/89/22/554038922.db2.gz RCNRDJBFRSGYJK-GDBMZVCRSA-N 1 2 368.437 2.229 20 30 FEEDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1cn([C@H]2CCOC2)nn1 ZINC000330058115 554056667 /nfs/dbraw/zinc/05/66/67/554056667.db2.gz YMVZQHSULXDLAY-INIZCTEOSA-N 1 2 371.441 2.016 20 30 FEEDLO Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000330098089 554063868 /nfs/dbraw/zinc/06/38/68/554063868.db2.gz BLLNYJNBRFJWNG-MRAWALMUSA-N 1 2 350.463 2.283 20 30 FEEDLO Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000330098089 554063871 /nfs/dbraw/zinc/06/38/71/554063871.db2.gz BLLNYJNBRFJWNG-MRAWALMUSA-N 1 2 350.463 2.283 20 30 FEEDLO Cc1ccc(NC(=O)N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)cc1C(=O)N(C)C(C)C ZINC000330193511 554082617 /nfs/dbraw/zinc/08/26/17/554082617.db2.gz OFXGWIDWHSUKOK-ROUUACIJSA-N 1 2 374.485 2.036 20 30 FEEDLO Cc1ccc(NC(=O)N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)cc1C(=O)N(C)C(C)C ZINC000330193511 554082619 /nfs/dbraw/zinc/08/26/19/554082619.db2.gz OFXGWIDWHSUKOK-ROUUACIJSA-N 1 2 374.485 2.036 20 30 FEEDLO CC[C@H](C(=O)N[C@@H]1CCC(=O)N[C@@H]1[C@@H]1CCCO1)[N@@H+]1CCO[C@H](CC)C1 ZINC000330244786 554092198 /nfs/dbraw/zinc/09/21/98/554092198.db2.gz XIBIZMFIGQNWBN-JLOCXQCDSA-N 1 2 367.490 2.499 20 30 FEEDLO CC[C@H](C(=O)N[C@@H]1CCC(=O)N[C@@H]1[C@@H]1CCCO1)[N@H+]1CCO[C@H](CC)C1 ZINC000330244786 554092199 /nfs/dbraw/zinc/09/21/99/554092199.db2.gz XIBIZMFIGQNWBN-JLOCXQCDSA-N 1 2 367.490 2.499 20 30 FEEDLO O=C(C[N@@H+]1CCN2C(=O)NC[C@H]2C1)NCC1(c2ccccc2)CCCC1 ZINC000330280910 554098235 /nfs/dbraw/zinc/09/82/35/554098235.db2.gz TWODIZJOCHPGQU-KRWDZBQOSA-N 1 2 356.470 2.369 20 30 FEEDLO O=C(C[N@H+]1CCN2C(=O)NC[C@H]2C1)NCC1(c2ccccc2)CCCC1 ZINC000330280910 554098236 /nfs/dbraw/zinc/09/82/36/554098236.db2.gz TWODIZJOCHPGQU-KRWDZBQOSA-N 1 2 356.470 2.369 20 30 FEEDLO Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NC(=O)[C@H](C)[NH+]1CCSCC1 ZINC000330277360 554098360 /nfs/dbraw/zinc/09/83/60/554098360.db2.gz OCGWHYVAJNQCSF-DZKIICNBSA-N 1 2 352.504 2.261 20 30 FEEDLO Cc1cn2cc(NC(=O)[C@@H]3CC(=O)N(C)[C@@H]3c3cnn(C)c3C)ccc2[nH+]1 ZINC000330287761 554099362 /nfs/dbraw/zinc/09/93/62/554099362.db2.gz COPOJIZVYGXWDM-KDOFPFPSSA-N 1 2 366.425 2.492 20 30 FEEDLO CCN1CCN(C(=O)N[C@@H]2CCc3c2cccc3O)C[C@@H]1c1[nH]cc[nH+]1 ZINC000330333627 554106800 /nfs/dbraw/zinc/10/68/00/554106800.db2.gz PXVYPFVCQHLNIU-HZPDHXFCSA-N 1 2 355.442 2.395 20 30 FEEDLO Cn1cc[nH+]c1[C@H](NC(=O)N1CC[C@@H](O)C12CCCC2)C1CCOCC1 ZINC000330351505 554110222 /nfs/dbraw/zinc/11/02/22/554110222.db2.gz MIGXXJMFNHRJOC-HZPDHXFCSA-N 1 2 362.474 2.181 20 30 FEEDLO C[C@@H]1C[N@H+](C)[C@@H](C)CN1S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000507887256 561744769 /nfs/dbraw/zinc/74/47/69/561744769.db2.gz JOOZFGJYAYRUGF-WDEREUQCSA-N 1 2 361.389 2.290 20 30 FEEDLO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000507887256 561744770 /nfs/dbraw/zinc/74/47/70/561744770.db2.gz JOOZFGJYAYRUGF-WDEREUQCSA-N 1 2 361.389 2.290 20 30 FEEDLO C[C@H]1C[N@H+](C)[C@@H](C)CN1S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000507918494 561745796 /nfs/dbraw/zinc/74/57/96/561745796.db2.gz CRSHURQRPOQKTQ-QWRGUYRKSA-N 1 2 372.288 2.034 20 30 FEEDLO C[C@H]1C[N@@H+](C)[C@@H](C)CN1S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000507918494 561745797 /nfs/dbraw/zinc/74/57/97/561745797.db2.gz CRSHURQRPOQKTQ-QWRGUYRKSA-N 1 2 372.288 2.034 20 30 FEEDLO C[C@@H]1CN(S(=O)(=O)c2cc(Br)cc(C#N)c2)[C@@H](C)C[N@@H+]1C ZINC000507918492 561745839 /nfs/dbraw/zinc/74/58/39/561745839.db2.gz CRSHURQRPOQKTQ-MNOVXSKESA-N 1 2 372.288 2.034 20 30 FEEDLO C[C@@H]1CN(S(=O)(=O)c2cc(Br)cc(C#N)c2)[C@@H](C)C[N@H+]1C ZINC000507918492 561745840 /nfs/dbraw/zinc/74/58/40/561745840.db2.gz CRSHURQRPOQKTQ-MNOVXSKESA-N 1 2 372.288 2.034 20 30 FEEDLO C[NH+](C)CCS(=O)(=O)c1ccccc1C(=O)N[C@@H]1CCOC(C)(C)C1 ZINC000330589342 554142086 /nfs/dbraw/zinc/14/20/86/554142086.db2.gz WQYPNBSURUEULC-CQSZACIVSA-N 1 2 368.499 2.284 20 30 FEEDLO C[N@@H+](Cc1ccc(C#N)cc1Br)C[C@@H]1CCS(=O)(=O)C1 ZINC000330738525 554164948 /nfs/dbraw/zinc/16/49/48/554164948.db2.gz NSCYECFEHMQQDZ-LBPRGKRZSA-N 1 2 357.273 2.187 20 30 FEEDLO C[N@H+](Cc1ccc(C#N)cc1Br)C[C@@H]1CCS(=O)(=O)C1 ZINC000330738525 554164950 /nfs/dbraw/zinc/16/49/50/554164950.db2.gz NSCYECFEHMQQDZ-LBPRGKRZSA-N 1 2 357.273 2.187 20 30 FEEDLO C[C@H](C(=O)NC(=O)NC(C)(C)C)[NH+]1CCN(c2cccc(F)c2F)CC1 ZINC000330793425 554172173 /nfs/dbraw/zinc/17/21/73/554172173.db2.gz CJFXYDKEOLJTEH-GFCCVEGCSA-N 1 2 368.428 2.304 20 30 FEEDLO CC(C)(C)[C@@H]1CC[N@H+](CCS(=O)(=O)c2cccc(C#N)c2)C[C@H]1O ZINC000330872221 554181269 /nfs/dbraw/zinc/18/12/69/554181269.db2.gz UQTLIOMVVGVCSP-IAGOWNOFSA-N 1 2 350.484 2.061 20 30 FEEDLO CC(C)(C)[C@@H]1CC[N@@H+](CCS(=O)(=O)c2cccc(C#N)c2)C[C@H]1O ZINC000330872221 554181271 /nfs/dbraw/zinc/18/12/71/554181271.db2.gz UQTLIOMVVGVCSP-IAGOWNOFSA-N 1 2 350.484 2.061 20 30 FEEDLO CC(C)(C)CC[NH+]1CCN(C(=O)N[C@@H]2CCCC[C@H]2S(C)(=O)=O)CC1 ZINC000331133037 554219408 /nfs/dbraw/zinc/21/94/08/554219408.db2.gz BUPRJVJLJSBESC-HZPDHXFCSA-N 1 2 373.563 2.310 20 30 FEEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N[C@H](C)C(=O)OC(C)(C)C ZINC000331179618 554226520 /nfs/dbraw/zinc/22/65/20/554226520.db2.gz GOQNUMAXNHMPRC-CYBMUJFWSA-N 1 2 364.446 2.283 20 30 FEEDLO C=CCn1c(-c2ccccc2F)nnc1N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000508729975 561771033 /nfs/dbraw/zinc/77/10/33/561771033.db2.gz LMHHLJWFNZLETB-OAHLLOKOSA-N 1 2 357.433 2.181 20 30 FEEDLO CC(=O)[C@](C)(O)C[NH+]1CCN(C(=O)Nc2ccc(C)c(Cl)c2)CC1 ZINC000331314534 554245962 /nfs/dbraw/zinc/24/59/62/554245962.db2.gz IPUJRVJXEJGSKT-QGZVFWFLSA-N 1 2 353.850 2.152 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000331973834 554355908 /nfs/dbraw/zinc/35/59/08/554355908.db2.gz UUJYNCMJCJBPNF-PMACEKPBSA-N 1 2 368.481 2.367 20 30 FEEDLO Cc1ccccc1C[NH+]1CCN(S(=O)(=O)c2cnc(C)c(C#N)c2)CC1 ZINC000332150418 554390544 /nfs/dbraw/zinc/39/05/44/554390544.db2.gz VKNOVCNXXBHIEN-UHFFFAOYSA-N 1 2 370.478 2.077 20 30 FEEDLO Cc1c2cc(F)ccc2oc1S(=O)(=O)N1CCC(C#N)([NH+](C)C)CC1 ZINC000332201790 554400622 /nfs/dbraw/zinc/40/06/22/554400622.db2.gz DKZBHTXIVVRABX-UHFFFAOYSA-N 1 2 365.430 2.489 20 30 FEEDLO CC(C)[C@@H]1CCC[C@H](NC(=O)C(=O)N2CCC(C#N)([NH+](C)C)CC2)CC1 ZINC000332296653 554419662 /nfs/dbraw/zinc/41/96/62/554419662.db2.gz KDWKXFFOFUVQML-SJORKVTESA-N 1 2 362.518 2.154 20 30 FEEDLO C[C@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)[NH+]1CCC(F)(C#N)CC1 ZINC000510937197 561851556 /nfs/dbraw/zinc/85/15/56/561851556.db2.gz OBMVLULPLTXGDX-CQSZACIVSA-N 1 2 358.417 2.468 20 30 FEEDLO C=CCOC[C@H]1NC(=O)N([C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)C1=O ZINC000348581952 554689361 /nfs/dbraw/zinc/68/93/61/554689361.db2.gz QQOFKIWWEGEKQE-MSOLQXFVSA-N 1 2 368.437 2.364 20 30 FEEDLO C=CCOC[C@H]1NC(=O)N(Cc2[nH+]ccn2CCCc2ccccc2)C1=O ZINC000348602070 554691002 /nfs/dbraw/zinc/69/10/02/554691002.db2.gz CXFHDNOQZYKTTM-QGZVFWFLSA-N 1 2 368.437 2.139 20 30 FEEDLO C=CCOC[C@@H]1NC(=O)N(Cc2[nH+]ccn2CCCc2ccccc2)C1=O ZINC000348602069 554691105 /nfs/dbraw/zinc/69/11/05/554691105.db2.gz CXFHDNOQZYKTTM-KRWDZBQOSA-N 1 2 368.437 2.139 20 30 FEEDLO COCCN(CCC#N)C(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1 ZINC000612539151 554801819 /nfs/dbraw/zinc/80/18/19/554801819.db2.gz VGPOCIAISUYZHU-UHFFFAOYSA-N 1 2 353.426 2.399 20 30 FEEDLO Cc1[nH+]c2ccccn2c1[C@@H]1C(=O)NCCN1Cc1ccc(F)c(C#N)c1 ZINC000362822994 554990962 /nfs/dbraw/zinc/99/09/62/554990962.db2.gz NZWFMJWMDBTVNI-LJQANCHMSA-N 1 2 363.396 2.327 20 30 FEEDLO C#Cc1cccc(NC(=O)CNC(=O)[C@H]2CCCN(c3cccc[nH+]3)C2)c1 ZINC000363004795 555007940 /nfs/dbraw/zinc/00/79/40/555007940.db2.gz KFAZLTBNAAYKSG-KRWDZBQOSA-N 1 2 362.433 2.034 20 30 FEEDLO COc1cc(/C=C/C(=O)N[C@@H]2CCc3[nH+]c(C)cn3C2)ccc1OCC#N ZINC000363546872 555133620 /nfs/dbraw/zinc/13/36/20/555133620.db2.gz UZQJXAGEEXAXKW-KZJSRBBCSA-N 1 2 366.421 2.247 20 30 FEEDLO CCO[C@@H](C)c1noc(C[N@@H+]2CCCN(c3ccc(C#N)nc3)CC2)n1 ZINC000363603217 555145547 /nfs/dbraw/zinc/14/55/47/555145547.db2.gz HTKJUHUCSZLSAS-AWEZNQCLSA-N 1 2 356.430 2.146 20 30 FEEDLO CCO[C@@H](C)c1noc(C[N@H+]2CCCN(c3ccc(C#N)nc3)CC2)n1 ZINC000363603217 555145549 /nfs/dbraw/zinc/14/55/49/555145549.db2.gz HTKJUHUCSZLSAS-AWEZNQCLSA-N 1 2 356.430 2.146 20 30 FEEDLO CCO[C@H](C)c1noc(C[N@@H+]2CCCN(c3ccc(C#N)nc3)CC2)n1 ZINC000363603218 555146053 /nfs/dbraw/zinc/14/60/53/555146053.db2.gz HTKJUHUCSZLSAS-CQSZACIVSA-N 1 2 356.430 2.146 20 30 FEEDLO CCO[C@H](C)c1noc(C[N@H+]2CCCN(c3ccc(C#N)nc3)CC2)n1 ZINC000363603218 555146054 /nfs/dbraw/zinc/14/60/54/555146054.db2.gz HTKJUHUCSZLSAS-CQSZACIVSA-N 1 2 356.430 2.146 20 30 FEEDLO C=CCOc1cccc(NC(=O)N2CC[NH+]([C@@H]3CCCCNC3=O)CC2)c1 ZINC000363609805 555146651 /nfs/dbraw/zinc/14/66/51/555146651.db2.gz ANJYOQBIJNTTTD-GOSISDBHSA-N 1 2 372.469 2.070 20 30 FEEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(NC(=O)c2ccc[nH]2)CC1 ZINC000363651323 555155531 /nfs/dbraw/zinc/15/55/31/555155531.db2.gz LDBQEKMVWDZWNF-AWEZNQCLSA-N 1 2 365.437 2.108 20 30 FEEDLO COC(=O)c1cn([C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3C#N)C2)nn1 ZINC000363712054 555169799 /nfs/dbraw/zinc/16/97/99/555169799.db2.gz IVVZRWKISXMOGS-OAHLLOKOSA-N 1 2 359.817 2.427 20 30 FEEDLO COC(=O)c1cn([C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3C#N)C2)nn1 ZINC000363712054 555169800 /nfs/dbraw/zinc/16/98/00/555169800.db2.gz IVVZRWKISXMOGS-OAHLLOKOSA-N 1 2 359.817 2.427 20 30 FEEDLO COc1cc(/C=C/C(=O)N2CC[C@H](c3[nH+]ccn3C)C2)ccc1OCC#N ZINC000364059735 555242404 /nfs/dbraw/zinc/24/24/04/555242404.db2.gz SQJUSAQCCJYQCK-NBUZRDOWSA-N 1 2 366.421 2.360 20 30 FEEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)NC(=O)NC(C)(C)C ZINC000512215073 561896386 /nfs/dbraw/zinc/89/63/86/561896386.db2.gz UJSGLGZNZJHYIY-ZDUSSCGKSA-N 1 2 351.447 2.163 20 30 FEEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)NC(=O)NC(C)(C)C ZINC000512215073 561896388 /nfs/dbraw/zinc/89/63/88/561896388.db2.gz UJSGLGZNZJHYIY-ZDUSSCGKSA-N 1 2 351.447 2.163 20 30 FEEDLO C=C(C)C[N@@H+](CC(=O)NCc1ccc(OC)cc1)Cc1ccc(CO)o1 ZINC000512413888 561904151 /nfs/dbraw/zinc/90/41/51/561904151.db2.gz ALWBTZWYKSIAMP-UHFFFAOYSA-N 1 2 358.438 2.475 20 30 FEEDLO C=C(C)C[N@H+](CC(=O)NCc1ccc(OC)cc1)Cc1ccc(CO)o1 ZINC000512413888 561904152 /nfs/dbraw/zinc/90/41/52/561904152.db2.gz ALWBTZWYKSIAMP-UHFFFAOYSA-N 1 2 358.438 2.475 20 30 FEEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@]3(CNC(=O)O3)C2)c1C ZINC000364775129 555399355 /nfs/dbraw/zinc/39/93/55/555399355.db2.gz GXWDBZPAKUYOCH-FQEVSTJZSA-N 1 2 370.453 2.125 20 30 FEEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@]3(CNC(=O)O3)C2)c1C ZINC000364775129 555399360 /nfs/dbraw/zinc/39/93/60/555399360.db2.gz GXWDBZPAKUYOCH-FQEVSTJZSA-N 1 2 370.453 2.125 20 30 FEEDLO CCO[C@H](C)c1noc(C[N@@H+]2CCCN(c3ccc(C)c(C#N)n3)CC2)n1 ZINC000364988183 555458282 /nfs/dbraw/zinc/45/82/82/555458282.db2.gz WXPRHWPSZYAYEI-OAHLLOKOSA-N 1 2 370.457 2.455 20 30 FEEDLO CCO[C@H](C)c1noc(C[N@H+]2CCCN(c3ccc(C)c(C#N)n3)CC2)n1 ZINC000364988183 555458284 /nfs/dbraw/zinc/45/82/84/555458284.db2.gz WXPRHWPSZYAYEI-OAHLLOKOSA-N 1 2 370.457 2.455 20 30 FEEDLO Cn1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CNC(=O)Nc2ccc(C#N)cc2)cn1 ZINC000365324756 555543400 /nfs/dbraw/zinc/54/34/00/555543400.db2.gz PDTGVDDCXRXVRA-RDJZCZTQSA-N 1 2 356.405 2.026 20 30 FEEDLO Cn1cc(C[N@H+]2C[C@@H](F)C[C@H]2CNC(=O)Nc2ccc(C#N)cc2)cn1 ZINC000365324756 555543403 /nfs/dbraw/zinc/54/34/03/555543403.db2.gz PDTGVDDCXRXVRA-RDJZCZTQSA-N 1 2 356.405 2.026 20 30 FEEDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)NCc1ccc(OCC#N)cc1 ZINC000365383421 555559359 /nfs/dbraw/zinc/55/93/59/555559359.db2.gz VNHBJZMUTHVBIQ-UHFFFAOYSA-N 1 2 353.426 2.463 20 30 FEEDLO C[N@@H+]1CCc2c(cccc2NS(=O)(=O)c2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000365546677 555605096 /nfs/dbraw/zinc/60/50/96/555605096.db2.gz MEJFELHVIJIKQU-UHFFFAOYSA-N 1 2 372.406 2.255 20 30 FEEDLO C[N@H+]1CCc2c(cccc2NS(=O)(=O)c2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000365546677 555605097 /nfs/dbraw/zinc/60/50/97/555605097.db2.gz MEJFELHVIJIKQU-UHFFFAOYSA-N 1 2 372.406 2.255 20 30 FEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](CC(=O)N1CCCCCC1)C(C)C ZINC000513253120 561931310 /nfs/dbraw/zinc/93/13/10/561931310.db2.gz UMKAQRCSMNMBCQ-QGZVFWFLSA-N 1 2 350.507 2.108 20 30 FEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](CC(=O)N1CCCCCC1)C(C)C ZINC000513253120 561931311 /nfs/dbraw/zinc/93/13/11/561931311.db2.gz UMKAQRCSMNMBCQ-QGZVFWFLSA-N 1 2 350.507 2.108 20 30 FEEDLO Cc1ccc(N2CCC[C@@H](C(=O)N=c3[nH]n(C(C)(C)C)cc3C#N)C2)[nH+]c1 ZINC000365957621 555711103 /nfs/dbraw/zinc/71/11/03/555711103.db2.gz YLLDKWZHQZYFRI-OAHLLOKOSA-N 1 2 366.469 3.068 20 30 FEEDLO CC[C@H]1C[N@H+](CC(=O)N(CCC#N)c2ccccc2)C[C@]2(CCOC2)O1 ZINC000366591176 555884906 /nfs/dbraw/zinc/88/49/06/555884906.db2.gz NDLLHPGNNZDLNY-ICSRJNTNSA-N 1 2 357.454 2.203 20 30 FEEDLO CC[C@H]1C[N@@H+](CC(=O)N(CCC#N)c2ccccc2)C[C@]2(CCOC2)O1 ZINC000366591176 555884912 /nfs/dbraw/zinc/88/49/12/555884912.db2.gz NDLLHPGNNZDLNY-ICSRJNTNSA-N 1 2 357.454 2.203 20 30 FEEDLO Cn1cc[nH+]c1-c1cccc(CNC(=O)CNC(=O)c2ccc(C#N)cc2)c1 ZINC000366627821 555894848 /nfs/dbraw/zinc/89/48/48/555894848.db2.gz GEXQODVMTKAHOF-UHFFFAOYSA-N 1 2 373.416 2.005 20 30 FEEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C)CCC2 ZINC000366708749 555914713 /nfs/dbraw/zinc/91/47/13/555914713.db2.gz LTXYXUQGNNDCME-HNNXBMFYSA-N 1 2 367.453 2.407 20 30 FEEDLO C[C@@H]1C[N@H+](CC(=O)N(C)C2(C#N)CCCCC2)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000366787326 555934012 /nfs/dbraw/zinc/93/40/12/555934012.db2.gz LBCKKNZEIUXEIE-HLIPFELVSA-N 1 2 363.502 2.330 20 30 FEEDLO C[C@@H]1C[N@@H+](CC(=O)N(C)C2(C#N)CCCCC2)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000366787326 555934015 /nfs/dbraw/zinc/93/40/15/555934015.db2.gz LBCKKNZEIUXEIE-HLIPFELVSA-N 1 2 363.502 2.330 20 30 FEEDLO Cc1nc(C[N@@H+](C)[C@@H]2CCCN(C(=O)NCC3(CC#N)CC3)CC2)no1 ZINC000366794809 555935666 /nfs/dbraw/zinc/93/56/66/555935666.db2.gz HROLTPVESJKCTK-OAHLLOKOSA-N 1 2 360.462 2.068 20 30 FEEDLO Cc1nc(C[N@H+](C)[C@@H]2CCCN(C(=O)NCC3(CC#N)CC3)CC2)no1 ZINC000366794809 555935670 /nfs/dbraw/zinc/93/56/70/555935670.db2.gz HROLTPVESJKCTK-OAHLLOKOSA-N 1 2 360.462 2.068 20 30 FEEDLO Cc1c([C@H]2CCC[N@@H+]2CCS(=O)(=O)c2ccc(C#N)cc2)cnn1C ZINC000367330074 556019922 /nfs/dbraw/zinc/01/99/22/556019922.db2.gz HBBWEEFJCJJBRE-GOSISDBHSA-N 1 2 358.467 2.211 20 30 FEEDLO Cc1c([C@H]2CCC[N@H+]2CCS(=O)(=O)c2ccc(C#N)cc2)cnn1C ZINC000367330074 556019925 /nfs/dbraw/zinc/01/99/25/556019925.db2.gz HBBWEEFJCJJBRE-GOSISDBHSA-N 1 2 358.467 2.211 20 30 FEEDLO C#CC[C@@]1(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)CCCN1C(=O)OC(C)(C)C ZINC000367723677 556123698 /nfs/dbraw/zinc/12/36/98/556123698.db2.gz CSDHAKWZYNPAAL-XOBRGWDASA-N 1 2 372.469 2.176 20 30 FEEDLO C#CC[C@@]1(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)CCCN1C(=O)OC(C)(C)C ZINC000367723677 556123700 /nfs/dbraw/zinc/12/37/00/556123700.db2.gz CSDHAKWZYNPAAL-XOBRGWDASA-N 1 2 372.469 2.176 20 30 FEEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H]2C(=O)N2CCSCC2)c([N+](=O)[O-])c1 ZINC000514865518 561984164 /nfs/dbraw/zinc/98/41/64/561984164.db2.gz YOZWFBVMEJVQOZ-HNNXBMFYSA-N 1 2 360.439 2.006 20 30 FEEDLO N#Cc1ccc(C[N@H+]2CCC[C@H]2C(=O)N2CCSCC2)c([N+](=O)[O-])c1 ZINC000514865518 561984166 /nfs/dbraw/zinc/98/41/66/561984166.db2.gz YOZWFBVMEJVQOZ-HNNXBMFYSA-N 1 2 360.439 2.006 20 30 FEEDLO Cn1c(C[N@@H+]2CCCN(c3ncccc3C#N)CC2)nnc1C1CCC1 ZINC000368620617 556365215 /nfs/dbraw/zinc/36/52/15/556365215.db2.gz BKKNZSBZJQQVIL-UHFFFAOYSA-N 1 2 351.458 2.062 20 30 FEEDLO Cn1c(C[N@H+]2CCCN(c3ncccc3C#N)CC2)nnc1C1CCC1 ZINC000368620617 556365218 /nfs/dbraw/zinc/36/52/18/556365218.db2.gz BKKNZSBZJQQVIL-UHFFFAOYSA-N 1 2 351.458 2.062 20 30 FEEDLO N#CC1(NC(=O)C[N@@H+]2CCCN(C(=O)CC3CCCC3)CC2)CCCCC1 ZINC000368748748 556404642 /nfs/dbraw/zinc/40/46/42/556404642.db2.gz NMNMZJNRXIPIFH-UHFFFAOYSA-N 1 2 374.529 2.444 20 30 FEEDLO N#CC1(NC(=O)C[N@H+]2CCCN(C(=O)CC3CCCC3)CC2)CCCCC1 ZINC000368748748 556404644 /nfs/dbraw/zinc/40/46/44/556404644.db2.gz NMNMZJNRXIPIFH-UHFFFAOYSA-N 1 2 374.529 2.444 20 30 FEEDLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](C)c1ccc(C#N)cc1 ZINC000515559710 562015218 /nfs/dbraw/zinc/01/52/18/562015218.db2.gz UUTJGFWYJMHFQO-KDOFPFPSSA-N 1 2 367.453 2.232 20 30 FEEDLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](C)c1ccc(C#N)cc1 ZINC000515559710 562015219 /nfs/dbraw/zinc/01/52/19/562015219.db2.gz UUTJGFWYJMHFQO-KDOFPFPSSA-N 1 2 367.453 2.232 20 30 FEEDLO N#Cc1c(F)ccc(C[N@@H+]2CC[C@H](S(=O)(=O)N3CCCC3)C2)c1Cl ZINC000368997451 556471765 /nfs/dbraw/zinc/47/17/65/556471765.db2.gz DUJHLPBZJNQCNV-ZDUSSCGKSA-N 1 2 371.865 2.351 20 30 FEEDLO N#Cc1c(F)ccc(C[N@H+]2CC[C@H](S(=O)(=O)N3CCCC3)C2)c1Cl ZINC000368997451 556471769 /nfs/dbraw/zinc/47/17/69/556471769.db2.gz DUJHLPBZJNQCNV-ZDUSSCGKSA-N 1 2 371.865 2.351 20 30 FEEDLO Cc1nc(CO[C@H]2CC[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C2)cs1 ZINC000369011512 556475950 /nfs/dbraw/zinc/47/59/50/556475950.db2.gz RUSRJIVPCQFCMQ-RDJZCZTQSA-N 1 2 350.488 2.097 20 30 FEEDLO Cc1nc(CO[C@H]2CC[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C2)cs1 ZINC000369011512 556475951 /nfs/dbraw/zinc/47/59/51/556475951.db2.gz RUSRJIVPCQFCMQ-RDJZCZTQSA-N 1 2 350.488 2.097 20 30 FEEDLO N#Cc1cccc(S(=O)(=O)NCc2cc[nH+]c(N3CCCCC3)c2)c1 ZINC000515761908 562021442 /nfs/dbraw/zinc/02/14/42/562021442.db2.gz FDJULYUZKIUROV-UHFFFAOYSA-N 1 2 356.451 2.422 20 30 FEEDLO C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(c2ncccc2Cl)CC1 ZINC000369340484 556574469 /nfs/dbraw/zinc/57/44/69/556574469.db2.gz XJLGEDYLBBKSFF-GFCCVEGCSA-N 1 2 350.850 2.315 20 30 FEEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+]1CCCO[C@H]2CCC[C@H]21 ZINC000369456482 556604390 /nfs/dbraw/zinc/60/43/90/556604390.db2.gz GBPGRIBCFAMWPP-MSOLQXFVSA-N 1 2 365.437 2.326 20 30 FEEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+]1CCCO[C@H]2CCC[C@H]21 ZINC000369456482 556604391 /nfs/dbraw/zinc/60/43/91/556604391.db2.gz GBPGRIBCFAMWPP-MSOLQXFVSA-N 1 2 365.437 2.326 20 30 FEEDLO C[C@H](CNC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1)[NH+]1CCOCC1 ZINC000369748302 556684742 /nfs/dbraw/zinc/68/47/42/556684742.db2.gz JMZMRFWZIZLIQA-NZSAHSFTSA-N 1 2 356.470 2.188 20 30 FEEDLO N#CC1(NC(=O)[C@H]2CCn3c(c[nH+]c3-c3ccccc3)C2)CCOCC1 ZINC000370049195 556767628 /nfs/dbraw/zinc/76/76/28/556767628.db2.gz GYAOBIZQBHYCRG-INIZCTEOSA-N 1 2 350.422 2.301 20 30 FEEDLO COc1ccc(Cl)cc1NC(=O)C[NH+]1CCC(n2cnc(C#N)n2)CC1 ZINC000370122315 556786597 /nfs/dbraw/zinc/78/65/97/556786597.db2.gz MYKXPNCPWXDGNK-UHFFFAOYSA-N 1 2 374.832 2.087 20 30 FEEDLO C=C[C@@H](CC(=O)N1CC[NH+](C2(C(N)=O)CCCC2)CC1)c1ccccc1 ZINC000371156193 557091489 /nfs/dbraw/zinc/09/14/89/557091489.db2.gz SWPJOSARMDRDTH-KRWDZBQOSA-N 1 2 355.482 2.289 20 30 FEEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372272025 557426680 /nfs/dbraw/zinc/42/66/80/557426680.db2.gz FTTQPSJRSJEZQB-GFCCVEGCSA-N 1 2 360.399 2.000 20 30 FEEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372272025 557426682 /nfs/dbraw/zinc/42/66/82/557426682.db2.gz FTTQPSJRSJEZQB-GFCCVEGCSA-N 1 2 360.399 2.000 20 30 FEEDLO C[N@H+](Cc1ncccn1)[C@H]1CCN(C(=O)c2cccc(SCC#N)c2)C1 ZINC000372512777 557489712 /nfs/dbraw/zinc/48/97/12/557489712.db2.gz ASFKEUMAYRVXMC-INIZCTEOSA-N 1 2 367.478 2.439 20 30 FEEDLO C[N@@H+](Cc1ncccn1)[C@H]1CCN(C(=O)c2cccc(SCC#N)c2)C1 ZINC000372512777 557489716 /nfs/dbraw/zinc/48/97/16/557489716.db2.gz ASFKEUMAYRVXMC-INIZCTEOSA-N 1 2 367.478 2.439 20 30 FEEDLO N#C[C@]1(C(=O)N2CC[NH+](Cc3cccnc3)CC2)CCc2ccccc2C1 ZINC000373190663 557646741 /nfs/dbraw/zinc/64/67/41/557646741.db2.gz LSSIWZCMSZWNHO-QFIPXVFZSA-N 1 2 360.461 2.425 20 30 FEEDLO N#CC[C@H](CC(=O)N1CC[NH+](C2(C(N)=O)CCCC2)CC1)c1ccccc1 ZINC000373539204 557713692 /nfs/dbraw/zinc/71/36/92/557713692.db2.gz QNYCNVIRZPKMDL-GOSISDBHSA-N 1 2 368.481 2.016 20 30 FEEDLO COc1cc(C#N)ccc1OCCCC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000374360404 557871288 /nfs/dbraw/zinc/87/12/88/557871288.db2.gz PHPUZNWGYNWMEK-INIZCTEOSA-N 1 2 368.437 2.475 20 30 FEEDLO COC(=O)c1cccc(C[N@@H+]2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)c1 ZINC000374363634 557872164 /nfs/dbraw/zinc/87/21/64/557872164.db2.gz CPCKWSPURVRIAT-HRAATJIYSA-N 1 2 361.401 2.319 20 30 FEEDLO COC(=O)c1cccc(C[N@H+]2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)c1 ZINC000374363634 557872166 /nfs/dbraw/zinc/87/21/66/557872166.db2.gz CPCKWSPURVRIAT-HRAATJIYSA-N 1 2 361.401 2.319 20 30 FEEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](c2nc(N(C)C)no2)C1 ZINC000374626953 557908561 /nfs/dbraw/zinc/90/85/61/557908561.db2.gz NPROELLOTHWZFQ-HZPDHXFCSA-N 1 2 369.425 2.101 20 30 FEEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](c2nc(N(C)C)no2)C1 ZINC000374626953 557908563 /nfs/dbraw/zinc/90/85/63/557908563.db2.gz NPROELLOTHWZFQ-HZPDHXFCSA-N 1 2 369.425 2.101 20 30 FEEDLO N#Cc1ccc(-n2ccc(NC(=O)c3ccc(-n4cc[nH+]c4)nc3)n2)c(F)c1 ZINC000374661972 557913530 /nfs/dbraw/zinc/91/35/30/557913530.db2.gz JLWHPKOHZNRGHM-UHFFFAOYSA-N 1 2 373.351 2.716 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@@H](O)c3ccccc3C2)cc1 ZINC000374807977 557934568 /nfs/dbraw/zinc/93/45/68/557934568.db2.gz QOWAKXHHIOMUKL-LJQANCHMSA-N 1 2 356.447 2.271 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@@H](O)c3ccccc3C2)cc1 ZINC000374807977 557934570 /nfs/dbraw/zinc/93/45/70/557934570.db2.gz QOWAKXHHIOMUKL-LJQANCHMSA-N 1 2 356.447 2.271 20 30 FEEDLO Cc1cn2c([nH+]1)CC[C@@H](NS(=O)(=O)c1cc(C#N)ccc1Cl)C2 ZINC000375370671 558016872 /nfs/dbraw/zinc/01/68/72/558016872.db2.gz QQAKSPYFJPNHLH-GFCCVEGCSA-N 1 2 350.831 2.010 20 30 FEEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)c1 ZINC000375466545 558032171 /nfs/dbraw/zinc/03/21/71/558032171.db2.gz VDNNYMGHIQTQLI-OAHLLOKOSA-N 1 2 372.450 2.082 20 30 FEEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)c1 ZINC000375466545 558032172 /nfs/dbraw/zinc/03/21/72/558032172.db2.gz VDNNYMGHIQTQLI-OAHLLOKOSA-N 1 2 372.450 2.082 20 30 FEEDLO N#Cc1cc(C(=O)N2CCC3(CC2)NC(=O)C2(CCCCC2)[NH2+]3)ccc1F ZINC000375646520 558061838 /nfs/dbraw/zinc/06/18/38/558061838.db2.gz GUPDNTZCVFMMNK-UHFFFAOYSA-N 1 2 370.428 2.052 20 30 FEEDLO Cc1nnc([C@@H]2CC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c3ccccc3)C2)[nH]1 ZINC000521574538 562179033 /nfs/dbraw/zinc/17/90/33/562179033.db2.gz NBQWXYJUZWOQPG-GOEBONIOSA-N 1 2 352.442 2.238 20 30 FEEDLO Cc1nnc([C@@H]2CC[N@H+]([C@@H](C)C(=O)N(CCC#N)c3ccccc3)C2)[nH]1 ZINC000521574538 562179034 /nfs/dbraw/zinc/17/90/34/562179034.db2.gz NBQWXYJUZWOQPG-GOEBONIOSA-N 1 2 352.442 2.238 20 30 FEEDLO Cc1n[nH]c([C@@H]2CC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c3ccccc3)C2)n1 ZINC000521574538 562179035 /nfs/dbraw/zinc/17/90/35/562179035.db2.gz NBQWXYJUZWOQPG-GOEBONIOSA-N 1 2 352.442 2.238 20 30 FEEDLO Cc1n[nH]c([C@@H]2CC[N@H+]([C@@H](C)C(=O)N(CCC#N)c3ccccc3)C2)n1 ZINC000521574538 562179036 /nfs/dbraw/zinc/17/90/36/562179036.db2.gz NBQWXYJUZWOQPG-GOEBONIOSA-N 1 2 352.442 2.238 20 30 FEEDLO Cc1nc([C@@H]2CC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c3ccccc3)C2)n[nH]1 ZINC000521574538 562179037 /nfs/dbraw/zinc/17/90/37/562179037.db2.gz NBQWXYJUZWOQPG-GOEBONIOSA-N 1 2 352.442 2.238 20 30 FEEDLO Cc1nc([C@@H]2CC[N@H+]([C@@H](C)C(=O)N(CCC#N)c3ccccc3)C2)n[nH]1 ZINC000521574538 562179038 /nfs/dbraw/zinc/17/90/38/562179038.db2.gz NBQWXYJUZWOQPG-GOEBONIOSA-N 1 2 352.442 2.238 20 30 FEEDLO N#CCCn1ccc(=NC(=O)[C@H]2CCn3c(c[nH+]c3-c3ccccc3)C2)[nH]1 ZINC000376169505 558136026 /nfs/dbraw/zinc/13/60/26/558136026.db2.gz ZWSABNVEAJQMOU-INIZCTEOSA-N 1 2 360.421 2.861 20 30 FEEDLO Cc1cc(NC(=O)C2CC[NH+](CC(F)F)CC2)nn1-c1cccc(C#N)c1 ZINC000377278668 558304883 /nfs/dbraw/zinc/30/48/83/558304883.db2.gz DDRORJQXPMTUTN-UHFFFAOYSA-N 1 2 373.407 2.968 20 30 FEEDLO CCc1nc([C@@H]2CCC[N@H+](CC(=O)N(C)C3(C#N)CCCCC3)C2)no1 ZINC000377494323 558351059 /nfs/dbraw/zinc/35/10/59/558351059.db2.gz LIKFTAMWHCGQGO-OAHLLOKOSA-N 1 2 359.474 2.496 20 30 FEEDLO CCc1nc([C@@H]2CCC[N@@H+](CC(=O)N(C)C3(C#N)CCCCC3)C2)no1 ZINC000377494323 558351061 /nfs/dbraw/zinc/35/10/61/558351061.db2.gz LIKFTAMWHCGQGO-OAHLLOKOSA-N 1 2 359.474 2.496 20 30 FEEDLO N#Cc1ccccc1Cn1cccc1C[N@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000377703172 558401215 /nfs/dbraw/zinc/40/12/15/558401215.db2.gz VZBBYLSUNBZAQC-PKOBYXMFSA-N 1 2 355.463 2.027 20 30 FEEDLO N#Cc1ccccc1Cn1cccc1C[N@@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000377703172 558401217 /nfs/dbraw/zinc/40/12/17/558401217.db2.gz VZBBYLSUNBZAQC-PKOBYXMFSA-N 1 2 355.463 2.027 20 30 FEEDLO N#Cc1ccccc1OCC[N@@H+]1C[C@H](C#N)[C@]2(C1)C(=O)Nc1ccccc12 ZINC000378294473 558522230 /nfs/dbraw/zinc/52/22/30/558522230.db2.gz VWIXODUXXLPGBG-KKSFZXQISA-N 1 2 358.401 2.283 20 30 FEEDLO N#Cc1ccccc1OCC[N@H+]1C[C@H](C#N)[C@]2(C1)C(=O)Nc1ccccc12 ZINC000378294473 558522232 /nfs/dbraw/zinc/52/22/32/558522232.db2.gz VWIXODUXXLPGBG-KKSFZXQISA-N 1 2 358.401 2.283 20 30 FEEDLO C[C@@H]1[C@H](C)N(S(=O)(=O)c2cc(Br)cc(C#N)c2)CC[N@H+]1C ZINC000408084272 558645030 /nfs/dbraw/zinc/64/50/30/558645030.db2.gz OBFXYYNLUSIBAQ-MNOVXSKESA-N 1 2 372.288 2.034 20 30 FEEDLO C[C@@H]1[C@H](C)N(S(=O)(=O)c2cc(Br)cc(C#N)c2)CC[N@@H+]1C ZINC000408084272 558645032 /nfs/dbraw/zinc/64/50/32/558645032.db2.gz OBFXYYNLUSIBAQ-MNOVXSKESA-N 1 2 372.288 2.034 20 30 FEEDLO CC(C)(C#N)CCCC[NH+]1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000409449143 558692092 /nfs/dbraw/zinc/69/20/92/558692092.db2.gz ISYAHGNWAGBKLM-UHFFFAOYSA-N 1 2 350.488 2.108 20 30 FEEDLO C=CCCN(C)C(=O)C(=O)N1CC[N@@H+](Cc2ccccc2OCC)C[C@H]1C ZINC000410942060 558826385 /nfs/dbraw/zinc/82/63/85/558826385.db2.gz FCSLOESHZYZTGW-QGZVFWFLSA-N 1 2 373.497 2.153 20 30 FEEDLO C=CCCN(C)C(=O)C(=O)N1CC[N@H+](Cc2ccccc2OCC)C[C@H]1C ZINC000410942060 558826388 /nfs/dbraw/zinc/82/63/88/558826388.db2.gz FCSLOESHZYZTGW-QGZVFWFLSA-N 1 2 373.497 2.153 20 30 FEEDLO C=CC[C@H]1N(C(=O)C(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)CCCC1(C)C ZINC000411003564 558831048 /nfs/dbraw/zinc/83/10/48/558831048.db2.gz OJRIUIFEBTXDMF-HZPDHXFCSA-N 1 2 358.486 2.329 20 30 FEEDLO N#Cc1cnc(NCC[NH+]2CCN(C(=O)C3CCCCC3)CC2)c(F)c1 ZINC000413146612 559082687 /nfs/dbraw/zinc/08/26/87/559082687.db2.gz XMZVEEUCRSNVRR-UHFFFAOYSA-N 1 2 359.449 2.229 20 30 FEEDLO CC[C@H](Oc1ccccc1C)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000413280826 559095212 /nfs/dbraw/zinc/09/52/12/559095212.db2.gz LURPJMBBSCEJCD-SFHVURJKSA-N 1 2 359.470 2.227 20 30 FEEDLO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000422527675 559593037 /nfs/dbraw/zinc/59/30/37/559593037.db2.gz MEBDOOPRUQPCQG-ZWKOTPCHSA-N 1 2 366.465 2.040 20 30 FEEDLO N#CCC1(O)C[NH+](C[C@H](O)COC(c2ccccc2)c2ccccc2)C1 ZINC000424132646 559655843 /nfs/dbraw/zinc/65/58/43/559655843.db2.gz IBPRBFVXOWWTOM-IBGZPJMESA-N 1 2 352.434 2.114 20 30 FEEDLO C=CCC1(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)CCOCC1 ZINC000424824433 559677729 /nfs/dbraw/zinc/67/77/29/559677729.db2.gz CFIOICGCTPDCLR-UXHICEINSA-N 1 2 370.493 2.471 20 30 FEEDLO C=CCC1(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)CCOCC1 ZINC000424824433 559677730 /nfs/dbraw/zinc/67/77/30/559677730.db2.gz CFIOICGCTPDCLR-UXHICEINSA-N 1 2 370.493 2.471 20 30 FEEDLO N#Cc1ccc([C@@H]([NH2+][C@H](CO)c2ccc(Br)cc2)C(N)=O)cc1 ZINC000428811948 559783980 /nfs/dbraw/zinc/78/39/80/559783980.db2.gz XEIGPWNITARZMO-HZPDHXFCSA-N 1 2 374.238 2.170 20 30 FEEDLO C=CCNC(=O)C[N@@H+](C)CC(=O)NC(c1ccccc1)c1ccccc1 ZINC000429396821 559797912 /nfs/dbraw/zinc/79/79/12/559797912.db2.gz CUIPNUZURFLHBZ-UHFFFAOYSA-N 1 2 351.450 2.126 20 30 FEEDLO C=CCNC(=O)C[N@H+](C)CC(=O)NC(c1ccccc1)c1ccccc1 ZINC000429396821 559797913 /nfs/dbraw/zinc/79/79/13/559797913.db2.gz CUIPNUZURFLHBZ-UHFFFAOYSA-N 1 2 351.450 2.126 20 30 FEEDLO Cc1cc(NS(=O)(=O)c2cccc(C#N)c2)n(C2CC[NH+](C)CC2)n1 ZINC000432346122 559856937 /nfs/dbraw/zinc/85/69/37/559856937.db2.gz IJEHVZFWFXZMDS-UHFFFAOYSA-N 1 2 359.455 2.131 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)s1 ZINC000435433995 559922951 /nfs/dbraw/zinc/92/29/51/559922951.db2.gz QFHOBGOVAAGNCT-ZDUSSCGKSA-N 1 2 351.453 2.328 20 30 FEEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000438001405 559972806 /nfs/dbraw/zinc/97/28/06/559972806.db2.gz ITGKGFXLGRSLNI-AZUAARDMSA-N 1 2 373.497 2.374 20 30 FEEDLO C=CCNC(=O)CNC(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000439034158 559987432 /nfs/dbraw/zinc/98/74/32/559987432.db2.gz OMSNTVRACXXVPW-UHFFFAOYSA-N 1 2 353.426 2.310 20 30 FEEDLO N#Cc1cccc(NC(=O)CC[N@@H+]2CCC[C@@H]2C(=O)Nc2nccs2)c1 ZINC000440642792 560015235 /nfs/dbraw/zinc/01/52/35/560015235.db2.gz AEDWQSZKPCLERX-OAHLLOKOSA-N 1 2 369.450 2.446 20 30 FEEDLO N#Cc1cccc(NC(=O)CC[N@H+]2CCC[C@@H]2C(=O)Nc2nccs2)c1 ZINC000440642792 560015236 /nfs/dbraw/zinc/01/52/36/560015236.db2.gz AEDWQSZKPCLERX-OAHLLOKOSA-N 1 2 369.450 2.446 20 30 FEEDLO CCOC(=O)[C@H]1C[N@H+](CC(=O)N(CC)C[C@H](C)C#N)Cc2ccccc21 ZINC000441135265 560025085 /nfs/dbraw/zinc/02/50/85/560025085.db2.gz SBXMXARQEJFYRH-QAPCUYQASA-N 1 2 357.454 2.157 20 30 FEEDLO CCOC(=O)[C@H]1C[N@@H+](CC(=O)N(CC)C[C@H](C)C#N)Cc2ccccc21 ZINC000441135265 560025086 /nfs/dbraw/zinc/02/50/86/560025086.db2.gz SBXMXARQEJFYRH-QAPCUYQASA-N 1 2 357.454 2.157 20 30 FEEDLO C=CCOc1ccccc1C(=O)Nc1ccc2c(c1)C[N@H+](CC(N)=O)CC2 ZINC000447689189 560167268 /nfs/dbraw/zinc/16/72/68/560167268.db2.gz OVCRBPNKIWGAGB-UHFFFAOYSA-N 1 2 365.433 2.347 20 30 FEEDLO C=CCOc1ccccc1C(=O)Nc1ccc2c(c1)C[N@@H+](CC(N)=O)CC2 ZINC000447689189 560167269 /nfs/dbraw/zinc/16/72/69/560167269.db2.gz OVCRBPNKIWGAGB-UHFFFAOYSA-N 1 2 365.433 2.347 20 30 FEEDLO C=CC1CCN(c2nc(NCCOC)nc(N3CCC(C=C)CC3)[nH+]2)CC1 ZINC000448132541 560178643 /nfs/dbraw/zinc/17/86/43/560178643.db2.gz MREVVGNUDWKGNQ-UHFFFAOYSA-N 1 2 372.517 2.157 20 30 FEEDLO Cc1[nH]c(C#N)cc1C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000448754193 560197819 /nfs/dbraw/zinc/19/78/19/560197819.db2.gz RXLMXISXYKYHTH-IBGZPJMESA-N 1 2 352.438 2.307 20 30 FEEDLO C=CC[N@@H+](Cc1nccnc1OC)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000449025079 560213139 /nfs/dbraw/zinc/21/31/39/560213139.db2.gz GDBRKPYTFYUNOZ-CQSZACIVSA-N 1 2 351.414 2.210 20 30 FEEDLO C=CC[N@H+](Cc1nccnc1OC)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000449025079 560213140 /nfs/dbraw/zinc/21/31/40/560213140.db2.gz GDBRKPYTFYUNOZ-CQSZACIVSA-N 1 2 351.414 2.210 20 30 FEEDLO C=CCOc1c(Br)cc(C[N@@H+]2C[C@@H](O)[C@H](OC)C2)cc1OC ZINC000449567654 560233781 /nfs/dbraw/zinc/23/37/81/560233781.db2.gz VHOGCNCKYYFUOP-UKRRQHHQSA-N 1 2 372.259 2.214 20 30 FEEDLO C=CCOc1c(Br)cc(C[N@H+]2C[C@@H](O)[C@H](OC)C2)cc1OC ZINC000449567654 560233782 /nfs/dbraw/zinc/23/37/82/560233782.db2.gz VHOGCNCKYYFUOP-UKRRQHHQSA-N 1 2 372.259 2.214 20 30 FEEDLO Cc1[nH]c(C#N)cc1C(=O)NC[C@H](c1cccs1)[N@H+]1CCO[C@H](C)C1 ZINC000450040399 560248864 /nfs/dbraw/zinc/24/88/64/560248864.db2.gz HNUVRWKMXULANN-MLGOLLRUSA-N 1 2 358.467 2.448 20 30 FEEDLO Cc1[nH]c(C#N)cc1C(=O)NC[C@H](c1cccs1)[N@@H+]1CCO[C@H](C)C1 ZINC000450040399 560248865 /nfs/dbraw/zinc/24/88/65/560248865.db2.gz HNUVRWKMXULANN-MLGOLLRUSA-N 1 2 358.467 2.448 20 30 FEEDLO Cc1ccc(C(=O)N2CCN(C(=O)CC#N)CC2)cc1Oc1cc[nH+]cc1 ZINC000450128496 560251572 /nfs/dbraw/zinc/25/15/72/560251572.db2.gz PTJVLEOQLZCSFN-UHFFFAOYSA-N 1 2 364.405 2.380 20 30 FEEDLO Cc1cc(N2CCN(c3ncc(C#N)cc3[N+](=O)[O-])CC2)nc(C(C)C)[nH+]1 ZINC000450232474 560254987 /nfs/dbraw/zinc/25/49/87/560254987.db2.gz WHRHZDHEPRBSCN-UHFFFAOYSA-N 1 2 367.413 2.410 20 30 FEEDLO C=CC[N@@H+](Cc1nc(C(=O)OC)co1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000450395254 560261119 /nfs/dbraw/zinc/26/11/19/560261119.db2.gz QWCJNXFEEUCMKS-ZDUSSCGKSA-N 1 2 368.397 2.186 20 30 FEEDLO C=CC[N@H+](Cc1nc(C(=O)OC)co1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000450395254 560261120 /nfs/dbraw/zinc/26/11/20/560261120.db2.gz QWCJNXFEEUCMKS-ZDUSSCGKSA-N 1 2 368.397 2.186 20 30 FEEDLO CN(C)c1nc(N2CCN(c3cccc(C#N)n3)CC2)[nH+]c2ccccc21 ZINC000450434238 560262012 /nfs/dbraw/zinc/26/20/12/560262012.db2.gz AHNCOIQRBSEUEC-UHFFFAOYSA-N 1 2 359.437 2.289 20 30 FEEDLO Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNC(=O)c1cc(C#N)[nH]c1C ZINC000450910881 560277989 /nfs/dbraw/zinc/27/79/89/560277989.db2.gz JMPCMRDQGIHQNU-ZFWWWQNUSA-N 1 2 359.405 2.142 20 30 FEEDLO Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNC(=O)c1cc(C#N)[nH]c1C ZINC000450910881 560277990 /nfs/dbraw/zinc/27/79/90/560277990.db2.gz JMPCMRDQGIHQNU-ZFWWWQNUSA-N 1 2 359.405 2.142 20 30 FEEDLO C=CC[NH+]1CCC(NS(=O)(=O)c2cc(C(F)(F)F)ccc2O)CC1 ZINC000451168764 560290963 /nfs/dbraw/zinc/29/09/63/560290963.db2.gz CWSLKKPQZSTBNQ-UHFFFAOYSA-N 1 2 364.389 2.340 20 30 FEEDLO N#CCC1(CS(=O)(=O)NC[C@@H]2C[C@H](F)C[N@H+]2Cc2cccs2)CC1 ZINC000451540130 560313304 /nfs/dbraw/zinc/31/33/04/560313304.db2.gz YEJBNKANDWKUFI-KBPBESRZSA-N 1 2 371.503 2.274 20 30 FEEDLO N#CCC1(CS(=O)(=O)NC[C@@H]2C[C@H](F)C[N@@H+]2Cc2cccs2)CC1 ZINC000451540130 560313305 /nfs/dbraw/zinc/31/33/05/560313305.db2.gz YEJBNKANDWKUFI-KBPBESRZSA-N 1 2 371.503 2.274 20 30 FEEDLO C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H](c2[nH]cc[nH+]2)C(C)C)c1 ZINC000451545987 560313765 /nfs/dbraw/zinc/31/37/65/560313765.db2.gz ILLOJHKFLUPWSL-OAHLLOKOSA-N 1 2 362.455 2.001 20 30 FEEDLO C[C@@H]1CN(CC(F)(F)F)CC[N@H+](CC(=O)NC2(C#N)CCCCC2)C1 ZINC000451878999 560333953 /nfs/dbraw/zinc/33/39/53/560333953.db2.gz OYXFIWKCWTXBCD-AWEZNQCLSA-N 1 2 360.424 2.145 20 30 FEEDLO C[C@@H]1CN(CC(F)(F)F)CC[N@@H+](CC(=O)NC2(C#N)CCCCC2)C1 ZINC000451878999 560333954 /nfs/dbraw/zinc/33/39/54/560333954.db2.gz OYXFIWKCWTXBCD-AWEZNQCLSA-N 1 2 360.424 2.145 20 30 FEEDLO CCOc1cccc(C[N@H+](CCO)CC(=O)NCc2ccc(C#N)cc2)c1 ZINC000452048237 560347904 /nfs/dbraw/zinc/34/79/04/560347904.db2.gz PNTIYXPQWDTCPA-UHFFFAOYSA-N 1 2 367.449 2.068 20 30 FEEDLO CCOc1cccc(C[N@@H+](CCO)CC(=O)NCc2ccc(C#N)cc2)c1 ZINC000452048237 560347905 /nfs/dbraw/zinc/34/79/05/560347905.db2.gz PNTIYXPQWDTCPA-UHFFFAOYSA-N 1 2 367.449 2.068 20 30 FEEDLO Cn1ccnc1[C@@H]1[N@H+](C[C@H](O)COc2ccc(CC#N)cc2)CC1(C)C ZINC000453023750 560381502 /nfs/dbraw/zinc/38/15/02/560381502.db2.gz RPZCYRABRPOVRE-WMZOPIPTSA-N 1 2 354.454 2.309 20 30 FEEDLO Cn1ccnc1[C@@H]1[N@@H+](C[C@H](O)COc2ccc(CC#N)cc2)CC1(C)C ZINC000453023750 560381503 /nfs/dbraw/zinc/38/15/03/560381503.db2.gz RPZCYRABRPOVRE-WMZOPIPTSA-N 1 2 354.454 2.309 20 30 FEEDLO Cn1cc[nH+]c1[C@@H]1N(C[C@H](O)COc2ccc(CC#N)cc2)CC1(C)C ZINC000453023750 560381504 /nfs/dbraw/zinc/38/15/04/560381504.db2.gz RPZCYRABRPOVRE-WMZOPIPTSA-N 1 2 354.454 2.309 20 30 FEEDLO N#CCc1ccc(NC(=O)C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(Cl)c1 ZINC000453731156 560400191 /nfs/dbraw/zinc/40/01/91/560400191.db2.gz UVTARJGDQNNQIF-CYBMUJFWSA-N 1 2 371.828 2.474 20 30 FEEDLO C=CCC1(CNC(=O)N2CC[NH+]([C@@H](C)C(=O)NC3CC3)CC2)CCCC1 ZINC000455469899 560483507 /nfs/dbraw/zinc/48/35/07/560483507.db2.gz ATZQHWGCABSGFG-INIZCTEOSA-N 1 2 362.518 2.117 20 30 FEEDLO N#Cc1ncc(NC(=O)N2CC[NH+](Cc3ccncc3)CC2)cc1Cl ZINC000455760133 560494108 /nfs/dbraw/zinc/49/41/08/560494108.db2.gz SURAJHPIHGEAOB-UHFFFAOYSA-N 1 2 356.817 2.351 20 30 FEEDLO COc1ccccc1C[NH+]1CCN(C(=O)c2cc(C)c(C#N)cn2)CC1 ZINC000457529420 560572527 /nfs/dbraw/zinc/57/25/27/560572527.db2.gz SXKHNVKYFSULLF-UHFFFAOYSA-N 1 2 350.422 2.228 20 30 FEEDLO CC(C)(CC#N)CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000458047550 560600850 /nfs/dbraw/zinc/60/08/50/560600850.db2.gz YAYWZTDXVVVCOM-INIZCTEOSA-N 1 2 359.474 2.073 20 30 FEEDLO CC(C)(CC#N)CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000458047550 560600851 /nfs/dbraw/zinc/60/08/51/560600851.db2.gz YAYWZTDXVVVCOM-INIZCTEOSA-N 1 2 359.474 2.073 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1NC(=O)N(Cc1ccccc1)[C@@H](C)C[NH+]1CCOCC1 ZINC000459014308 560661729 /nfs/dbraw/zinc/66/17/29/560661729.db2.gz FGTMGKFFRGLXCD-SXLOBPIMSA-N 1 2 373.497 2.262 20 30 FEEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCc3cccc(Cl)c3C2)CC1 ZINC000459668270 560701165 /nfs/dbraw/zinc/70/11/65/560701165.db2.gz BNIXYPOSVUAHAK-LJQANCHMSA-N 1 2 374.916 2.390 20 30 FEEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CCc3cccc(Cl)c3C2)CC1 ZINC000459668270 560701167 /nfs/dbraw/zinc/70/11/67/560701167.db2.gz BNIXYPOSVUAHAK-LJQANCHMSA-N 1 2 374.916 2.390 20 30 FEEDLO C=CCN(Cc1cccs1)C(=O)C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000459864829 560714650 /nfs/dbraw/zinc/71/46/50/560714650.db2.gz INDOZUJGLHWVKQ-CQSZACIVSA-N 1 2 358.467 2.012 20 30 FEEDLO N#Cc1cccnc1-n1cc(NC(=O)[C@H]2CC[N@@H+]2Cc2ccccc2)cn1 ZINC000461752631 560781725 /nfs/dbraw/zinc/78/17/25/560781725.db2.gz VDIUBILVKRQOGB-GOSISDBHSA-N 1 2 358.405 2.352 20 30 FEEDLO N#Cc1cccnc1-n1cc(NC(=O)[C@H]2CC[N@H+]2Cc2ccccc2)cn1 ZINC000461752631 560781727 /nfs/dbraw/zinc/78/17/27/560781727.db2.gz VDIUBILVKRQOGB-GOSISDBHSA-N 1 2 358.405 2.352 20 30 FEEDLO Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)N[C@@H]2CCC[C@H]2C#N)cc1 ZINC000461947358 560789241 /nfs/dbraw/zinc/78/92/41/560789241.db2.gz PKSTZQSSCWRFQY-OTWHNJEPSA-N 1 2 356.470 2.360 20 30 FEEDLO COc1ccc(OC)c(C[NH+]2CCN(C(=O)N[C@@H]3CCC[C@@H]3C#N)CC2)c1 ZINC000461956420 560789655 /nfs/dbraw/zinc/78/96/55/560789655.db2.gz NNMWORRBLLPWRR-CRAIPNDOSA-N 1 2 372.469 2.223 20 30 FEEDLO COC(=O)[C@@H]1C[C@@H](C2CCCCC2)C[N@@H+]1CC(=O)N(CCC#N)CCC#N ZINC000464823582 560852375 /nfs/dbraw/zinc/85/23/75/560852375.db2.gz QNGBQQQLNYQTNH-MSOLQXFVSA-N 1 2 374.485 2.086 20 30 FEEDLO COC(=O)[C@@H]1C[C@@H](C2CCCCC2)C[N@H+]1CC(=O)N(CCC#N)CCC#N ZINC000464823582 560852376 /nfs/dbraw/zinc/85/23/76/560852376.db2.gz QNGBQQQLNYQTNH-MSOLQXFVSA-N 1 2 374.485 2.086 20 30 FEEDLO N#Cc1cc(C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)ccc1F ZINC000469505295 560956598 /nfs/dbraw/zinc/95/65/98/560956598.db2.gz RBKWPYMFZBNKAG-UHFFFAOYSA-N 1 2 370.403 2.388 20 30 FEEDLO CCOC(=O)[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC2(C#N)CCC2)Cc2ccccc21 ZINC000469732127 560963092 /nfs/dbraw/zinc/96/30/92/560963092.db2.gz YXGAERZVRXWMPR-WMLDXEAASA-N 1 2 355.438 2.100 20 30 FEEDLO CCOC(=O)[C@@H]1C[N@H+]([C@@H](C)C(=O)NC2(C#N)CCC2)Cc2ccccc21 ZINC000469732127 560963093 /nfs/dbraw/zinc/96/30/93/560963093.db2.gz YXGAERZVRXWMPR-WMLDXEAASA-N 1 2 355.438 2.100 20 30 FEEDLO CCn1nccc1C[N@H+](CCO)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000475495839 561098604 /nfs/dbraw/zinc/09/86/04/561098604.db2.gz MZKRMJUBKUNIKA-UHFFFAOYSA-N 1 2 364.453 2.170 20 30 FEEDLO CCn1nccc1C[N@@H+](CCO)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000475495839 561098605 /nfs/dbraw/zinc/09/86/05/561098605.db2.gz MZKRMJUBKUNIKA-UHFFFAOYSA-N 1 2 364.453 2.170 20 30 FEEDLO C[C@@H](c1cccnc1)[NH+]1CCN(C[C@H](O)COc2ccccc2C#N)CC1 ZINC000528385577 562326207 /nfs/dbraw/zinc/32/62/07/562326207.db2.gz CQKMGYWSMASMQF-PXNSSMCTSA-N 1 2 366.465 2.072 20 30 FEEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+]2C[C@@H](O)C[C@H]2C)c1C#N ZINC000530360835 562408229 /nfs/dbraw/zinc/40/82/29/562408229.db2.gz UHGWZMVHHPBLGU-KDOFPFPSSA-N 1 2 366.465 2.419 20 30 FEEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+]2C[C@@H](O)C[C@H]2C)c1C#N ZINC000530360835 562408230 /nfs/dbraw/zinc/40/82/30/562408230.db2.gz UHGWZMVHHPBLGU-KDOFPFPSSA-N 1 2 366.465 2.419 20 30 FEEDLO CN1CC[NH+]([C@H](CNC(=O)Cc2cccc(C#N)c2)c2cccs2)CC1 ZINC000530915659 562428542 /nfs/dbraw/zinc/42/85/42/562428542.db2.gz IEERBAQRLCSLEA-GOSISDBHSA-N 1 2 368.506 2.267 20 30 FEEDLO COc1ccc(C[N@H+](CCO)CC(=O)Nc2ccc(C#N)cc2)c(OC)c1 ZINC000532981308 562494542 /nfs/dbraw/zinc/49/45/42/562494542.db2.gz GQCUBJNIFITCTE-UHFFFAOYSA-N 1 2 369.421 2.008 20 30 FEEDLO COc1ccc(C[N@@H+](CCO)CC(=O)Nc2ccc(C#N)cc2)c(OC)c1 ZINC000532981308 562494543 /nfs/dbraw/zinc/49/45/43/562494543.db2.gz GQCUBJNIFITCTE-UHFFFAOYSA-N 1 2 369.421 2.008 20 30 FEEDLO CCCCn1nnnc1C[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000533360174 562506448 /nfs/dbraw/zinc/50/64/48/562506448.db2.gz NQPVTOKFTCJQAM-UHFFFAOYSA-N 1 2 367.457 2.196 20 30 FEEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+](C)[C@@H]1CCNC1=O ZINC000533932677 562521550 /nfs/dbraw/zinc/52/15/50/562521550.db2.gz JFFKMAYWZGKZIM-SMDDNHRTSA-N 1 2 360.483 2.036 20 30 FEEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+](C)[C@@H]1CCNC1=O ZINC000533932677 562521551 /nfs/dbraw/zinc/52/15/51/562521551.db2.gz JFFKMAYWZGKZIM-SMDDNHRTSA-N 1 2 360.483 2.036 20 30 FEEDLO C[C@@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@H]1CCCOC1 ZINC000540938291 562597625 /nfs/dbraw/zinc/59/76/25/562597625.db2.gz QARFKDDLQRFZHF-APWZRJJASA-N 1 2 356.470 2.201 20 30 FEEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH2+][C@H](C)c1nnc(C)o1 ZINC000541691769 562617848 /nfs/dbraw/zinc/61/78/48/562617848.db2.gz SMSCKDSCUXULAW-CHWSQXEVSA-N 1 2 357.414 2.373 20 30 FEEDLO COc1cccc2c1CC[N@@H+]([C@H]1CC(=O)N(c3ccc(C#N)cc3)C1=O)C2 ZINC000542016254 562625643 /nfs/dbraw/zinc/62/56/43/562625643.db2.gz BJJDJQIFPWTJLI-SFHVURJKSA-N 1 2 361.401 2.257 20 30 FEEDLO COc1cccc2c1CC[N@H+]([C@H]1CC(=O)N(c3ccc(C#N)cc3)C1=O)C2 ZINC000542016254 562625644 /nfs/dbraw/zinc/62/56/44/562625644.db2.gz BJJDJQIFPWTJLI-SFHVURJKSA-N 1 2 361.401 2.257 20 30 FEEDLO C[C@H](CC#N)[NH2+][C@H](C)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 ZINC000602870459 568009038 /nfs/dbraw/zinc/00/90/38/568009038.db2.gz UFGSONIBUQEKTH-NXEZZACHSA-N 1 2 354.332 2.271 20 30 FEEDLO C[N@H+](CC(=O)NCc1ccccc1CN1CCCC1=O)[C@H]1CCC[C@H]1C#N ZINC000602976353 568035957 /nfs/dbraw/zinc/03/59/57/568035957.db2.gz OKQILZXUAOKPOW-LPHOPBHVSA-N 1 2 368.481 2.049 20 30 FEEDLO C[N@@H+](CC(=O)NCc1ccccc1CN1CCCC1=O)[C@H]1CCC[C@H]1C#N ZINC000602976353 568035958 /nfs/dbraw/zinc/03/59/58/568035958.db2.gz OKQILZXUAOKPOW-LPHOPBHVSA-N 1 2 368.481 2.049 20 30 FEEDLO C[N@H+](CC(=O)N1CCC(NC(=O)c2ccccc2)CC1)[C@@H]1CCC[C@H]1C#N ZINC000602980408 568037022 /nfs/dbraw/zinc/03/70/22/568037022.db2.gz PUOKMPDHJBDUKJ-PKOBYXMFSA-N 1 2 368.481 2.031 20 30 FEEDLO C[N@@H+](CC(=O)N1CCC(NC(=O)c2ccccc2)CC1)[C@@H]1CCC[C@H]1C#N ZINC000602980408 568037023 /nfs/dbraw/zinc/03/70/23/568037023.db2.gz PUOKMPDHJBDUKJ-PKOBYXMFSA-N 1 2 368.481 2.031 20 30 FEEDLO CCCn1nccc1NC(=O)C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000602823400 568045734 /nfs/dbraw/zinc/04/57/34/568045734.db2.gz KMLNWGZLVXFXFO-UHFFFAOYSA-N 1 2 352.442 2.184 20 30 FEEDLO CC#CC[NH2+]Cc1cn(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)nn1 ZINC000603230733 568075436 /nfs/dbraw/zinc/07/54/36/568075436.db2.gz GCJWUTZWKDZLHH-UHFFFAOYSA-N 1 2 353.304 2.366 20 30 FEEDLO Cc1ccc2c(c1)nc(C[NH2+]CCS(=O)(=O)c1cccc(C#N)c1)n2C ZINC000568977380 568257062 /nfs/dbraw/zinc/25/70/62/568257062.db2.gz WYDWBQNFABLZMC-UHFFFAOYSA-N 1 2 368.462 2.317 20 30 FEEDLO C[C@@H]1C[N@H+](C)[C@H](C)CN1S(=O)(=O)c1cccc(Br)c1C#N ZINC000557841553 674470125 /nfs/dbraw/zinc/47/01/25/674470125.db2.gz XAKJVLMHBPKKCM-GHMZBOCLSA-N 1 2 372.288 2.034 20 30 FEEDLO C[C@@H]1C[N@@H+](C)[C@H](C)CN1S(=O)(=O)c1cccc(Br)c1C#N ZINC000557841553 674470128 /nfs/dbraw/zinc/47/01/28/674470128.db2.gz XAKJVLMHBPKKCM-GHMZBOCLSA-N 1 2 372.288 2.034 20 30 FEEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2cc(F)ccc2-c2nn[nH]n2)c1 ZINC000819709567 607057883 /nfs/dbraw/zinc/05/78/83/607057883.db2.gz JNRXRVJMLYJDOH-UHFFFAOYSA-N 1 2 364.384 2.058 20 30 FEEDLO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2cc(F)ccc2-c2nn[nH]n2)c1 ZINC000819709567 607057885 /nfs/dbraw/zinc/05/78/85/607057885.db2.gz JNRXRVJMLYJDOH-UHFFFAOYSA-N 1 2 364.384 2.058 20 30 FEEDLO C[C@@H]1C[N@H+](Cc2cn(CCC#N)nc2-c2ccncc2)CC[S@@](=O)C1 ZINC000562427390 674754702 /nfs/dbraw/zinc/75/47/02/674754702.db2.gz BJQCEOAEJBIXEZ-SGANQWHYSA-N 1 2 357.483 2.059 20 30 FEEDLO C[C@@H]1C[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)CC[S@@](=O)C1 ZINC000562427390 674754705 /nfs/dbraw/zinc/75/47/05/674754705.db2.gz BJQCEOAEJBIXEZ-SGANQWHYSA-N 1 2 357.483 2.059 20 30 FEEDLO CC[C@@H](C(=O)NCc1cc(F)c(C#N)c(F)c1)[N@@H+]1CCO[C@H](CC)C1 ZINC000565201592 675102289 /nfs/dbraw/zinc/10/22/89/675102289.db2.gz NRMRJBHTHCPXKE-DYVFJYSZSA-N 1 2 351.397 2.342 20 30 FEEDLO CC[C@@H](C(=O)NCc1cc(F)c(C#N)c(F)c1)[N@H+]1CCO[C@H](CC)C1 ZINC000565201592 675102290 /nfs/dbraw/zinc/10/22/90/675102290.db2.gz NRMRJBHTHCPXKE-DYVFJYSZSA-N 1 2 351.397 2.342 20 30 FEEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN(Cc2csc(C)n2)CC1 ZINC000073741037 670506519 /nfs/dbraw/zinc/50/65/19/670506519.db2.gz IAESCTMLJCYEQM-HNNXBMFYSA-N 1 2 350.532 2.382 20 30 FEEDLO C[C@@H]1SCC[N@H+](CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)[C@H]1C ZINC000118382189 671885968 /nfs/dbraw/zinc/88/59/68/671885968.db2.gz CWJQTVFQQRLECN-ZJNRKIDTSA-N 1 2 358.467 2.109 20 30 FEEDLO C[C@@H]1SCC[N@@H+](CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)[C@H]1C ZINC000118382189 671885972 /nfs/dbraw/zinc/88/59/72/671885972.db2.gz CWJQTVFQQRLECN-ZJNRKIDTSA-N 1 2 358.467 2.109 20 30 FEEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1c1ncc(Br)cc1C#N ZINC000582587100 672015721 /nfs/dbraw/zinc/01/57/21/672015721.db2.gz ZZSSBYROXFZINK-FZMZJTMJSA-N 1 2 351.248 2.015 20 30 FEEDLO Cc1nc(CON=C(N)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)sc1C ZINC000181852181 672431910 /nfs/dbraw/zinc/43/19/10/672431910.db2.gz IORHULIDEOYRQM-INIZCTEOSA-N 1 2 360.483 2.450 20 30 FEEDLO Cc1nc(CON=C(N)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)sc1C ZINC000181852181 672431915 /nfs/dbraw/zinc/43/19/15/672431915.db2.gz IORHULIDEOYRQM-INIZCTEOSA-N 1 2 360.483 2.450 20 30 FEEDLO CC[N@@H+]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)C[C@@H]1C ZINC000611083692 676015970 /nfs/dbraw/zinc/01/59/70/676015970.db2.gz VQLHISVVBFENGH-NSHDSACASA-N 1 2 361.389 2.292 20 30 FEEDLO CC[N@H+]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)C[C@@H]1C ZINC000611083692 676015973 /nfs/dbraw/zinc/01/59/73/676015973.db2.gz VQLHISVVBFENGH-NSHDSACASA-N 1 2 361.389 2.292 20 30 FEEDLO Cc1cccn2cc(CCNS(=O)(=O)c3ccc(C#N)c(F)c3)[nH+]c12 ZINC000589898819 672545694 /nfs/dbraw/zinc/54/56/94/672545694.db2.gz UJOOTTILEKFAHJ-UHFFFAOYSA-N 1 2 358.398 2.175 20 30 FEEDLO C[C@@H]1CC[N@H+](CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C[C@@H]1F ZINC000611502220 676041047 /nfs/dbraw/zinc/04/10/47/676041047.db2.gz PLXAWBMZOCKBHG-PMPSAXMXSA-N 1 2 364.490 2.137 20 30 FEEDLO C[C@@H]1CC[N@@H+](CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C[C@@H]1F ZINC000611502220 676041052 /nfs/dbraw/zinc/04/10/52/676041052.db2.gz PLXAWBMZOCKBHG-PMPSAXMXSA-N 1 2 364.490 2.137 20 30 FEEDLO COc1c(C)c[nH+]c(CN(C)S(=O)(=O)c2ccsc2C#N)c1C ZINC000593539345 672937621 /nfs/dbraw/zinc/93/76/21/672937621.db2.gz WQBURRODWTZSGT-UHFFFAOYSA-N 1 2 351.453 2.461 20 30 FEEDLO Cn1cc[nH+]c1[C@@H]1CCN(S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)C1 ZINC000593567988 672946005 /nfs/dbraw/zinc/94/60/05/672946005.db2.gz RMBQXKGBPVJIJW-CQSZACIVSA-N 1 2 358.467 2.399 20 30 FEEDLO C[N@@H+]1CCO[C@H](CNC(=O)CCC(=O)N2CCSc3ccccc32)C1 ZINC000329271603 673074580 /nfs/dbraw/zinc/07/45/80/673074580.db2.gz HPNJGLXSCHPUPW-CQSZACIVSA-N 1 2 363.483 2.193 20 30 FEEDLO C[N@H+]1CCO[C@H](CNC(=O)CCC(=O)N2CCSc3ccccc32)C1 ZINC000329271603 673074585 /nfs/dbraw/zinc/07/45/85/673074585.db2.gz HPNJGLXSCHPUPW-CQSZACIVSA-N 1 2 363.483 2.193 20 30 FEEDLO C#Cc1cccc(NC(=S)N[NH+]=Cc2ccc(N(C)CCO)cc2)c1 ZINC000727262380 673163184 /nfs/dbraw/zinc/16/31/84/673163184.db2.gz XYKMBOIVZLWNEN-UHFFFAOYSA-N 1 2 352.463 2.417 20 30 FEEDLO COC(=O)C12CC(C1)C[N@@H+]2CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000595682945 673282972 /nfs/dbraw/zinc/28/29/72/673282972.db2.gz LNCQLCQUKSRXBF-UHFFFAOYSA-N 1 2 359.451 2.074 20 30 FEEDLO COC(=O)C12CC(C1)C[N@H+]2CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000595682945 673282973 /nfs/dbraw/zinc/28/29/73/673282973.db2.gz LNCQLCQUKSRXBF-UHFFFAOYSA-N 1 2 359.451 2.074 20 30 FEEDLO CN(C(=O)C[NH2+][C@H](CO)c1ccc(F)cc1F)C1(C#N)CCCCC1 ZINC000595867101 673332246 /nfs/dbraw/zinc/33/22/46/673332246.db2.gz LADUCGBBDBSRDD-MRXNPFEDSA-N 1 2 351.397 2.273 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC3CC2(c2ccccc2)C3)nc1 ZINC000595910823 673337552 /nfs/dbraw/zinc/33/75/52/673337552.db2.gz YEXMOJGEXSPWGG-UHFFFAOYSA-N 1 2 353.447 2.348 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC3CC2(c2ccccc2)C3)nc1 ZINC000595910823 673337556 /nfs/dbraw/zinc/33/75/56/673337556.db2.gz YEXMOJGEXSPWGG-UHFFFAOYSA-N 1 2 353.447 2.348 20 30 FEEDLO C=CCSc1ccccc1NC(=O)C[NH+]1CCC(OCCO)CC1 ZINC000536003239 673357818 /nfs/dbraw/zinc/35/78/18/673357818.db2.gz OHOYUCSCLBHKDH-UHFFFAOYSA-N 1 2 350.484 2.377 20 30 FEEDLO N#CC1(CC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)CCCCC1 ZINC000596894117 673423673 /nfs/dbraw/zinc/42/36/73/673423673.db2.gz GSUVHGXVEFKNTR-SFHVURJKSA-N 1 2 351.516 2.175 20 30 FEEDLO CS(=O)(=O)NC[C@H]1CCCC[N@@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000735308914 673490128 /nfs/dbraw/zinc/49/01/28/673490128.db2.gz YFKIDEPWJZQYHJ-OAHLLOKOSA-N 1 2 371.890 2.146 20 30 FEEDLO CS(=O)(=O)NC[C@H]1CCCC[N@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000735308914 673490130 /nfs/dbraw/zinc/49/01/30/673490130.db2.gz YFKIDEPWJZQYHJ-OAHLLOKOSA-N 1 2 371.890 2.146 20 30 FEEDLO CCOC(=O)c1sc([C@@H](C)[NH2+]CC(=O)N(CC)CCC#N)nc1C ZINC000544517285 673715606 /nfs/dbraw/zinc/71/56/06/673715606.db2.gz OERSRLNBKYYOEC-GFCCVEGCSA-N 1 2 352.460 2.041 20 30 FEEDLO C[C@H](OC(=O)[C@H]1CCCC[N@@H+]1C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000745083663 673824596 /nfs/dbraw/zinc/82/45/96/673824596.db2.gz DQCBAAMLKMIBEG-SMDDNHRTSA-N 1 2 361.467 2.463 20 30 FEEDLO C[C@H](OC(=O)[C@H]1CCCC[N@H+]1C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000745083663 673824598 /nfs/dbraw/zinc/82/45/98/673824598.db2.gz DQCBAAMLKMIBEG-SMDDNHRTSA-N 1 2 361.467 2.463 20 30 FEEDLO Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000601370660 673849672 /nfs/dbraw/zinc/84/96/72/673849672.db2.gz UGIUWHQTDPKOJD-LRDDRELGSA-N 1 2 362.430 2.474 20 30 FEEDLO Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000601370659 673849752 /nfs/dbraw/zinc/84/97/52/673849752.db2.gz UGIUWHQTDPKOJD-BLLLJJGKSA-N 1 2 362.430 2.474 20 30 FEEDLO Cc1ccc(I)cc1NC[C@@H](O)C[N@H+](C)CCC#N ZINC000567727303 675316530 /nfs/dbraw/zinc/31/65/30/675316530.db2.gz JWIHFDVKOYBCLQ-CYBMUJFWSA-N 1 2 373.238 2.218 20 30 FEEDLO Cc1ccc(I)cc1NC[C@@H](O)C[N@@H+](C)CCC#N ZINC000567727303 675316531 /nfs/dbraw/zinc/31/65/31/675316531.db2.gz JWIHFDVKOYBCLQ-CYBMUJFWSA-N 1 2 373.238 2.218 20 30 FEEDLO C[S@](=O)CC[NH+]1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000828583264 675831814 /nfs/dbraw/zinc/83/18/14/675831814.db2.gz UTSHTRJJNZUGHU-VFNWGFHPSA-N 1 2 370.316 2.010 20 30 FEEDLO N#C[C@@H](c1cccc(Cl)c1)N1CC[NH+](CCn2ccccc2=O)CC1 ZINC000619295449 676371540 /nfs/dbraw/zinc/37/15/40/676371540.db2.gz FJULVEIVODWXNI-SFHVURJKSA-N 1 2 356.857 2.384 20 30 FEEDLO C=CC(C)(C)CCNC(=O)NCC1([NH+]2CCOCC2)CC(OCC)C1 ZINC000623950468 676558191 /nfs/dbraw/zinc/55/81/91/676558191.db2.gz CGHBUIYVKXRWHG-UHFFFAOYSA-N 1 2 353.507 2.158 20 30 FEEDLO CC#CC[NH2+]Cc1cn(CC(=O)N(C)[C@H](C)c2ccc(Cl)cc2)nn1 ZINC000640971465 677192582 /nfs/dbraw/zinc/19/25/82/677192582.db2.gz LYMSNXBCFOGYSA-CQSZACIVSA-N 1 2 359.861 2.264 20 30 FEEDLO CC#CC[NH2+]Cc1cn(Cc2nc3cc(Br)ccc3o2)nn1 ZINC000641130380 677195186 /nfs/dbraw/zinc/19/51/86/677195186.db2.gz LAPRWCUGAAHVAZ-UHFFFAOYSA-N 1 2 360.215 2.343 20 30 FEEDLO CC#CC[NH2+]Cc1cn(C[C@@H](O)CO[C@@H](C)c2ccc(Cl)cc2)nn1 ZINC000641203988 677196740 /nfs/dbraw/zinc/19/67/40/677196740.db2.gz UQVBYTLXMARPJQ-KBXCAEBGSA-N 1 2 362.861 2.183 20 30 FEEDLO C=C(Br)C[N@H+]1CC=C(CNC(=O)[C@H]2OCC[C@H]2CC)CC1 ZINC001000796174 680439275 /nfs/dbraw/zinc/43/92/75/680439275.db2.gz OJFJCUXVRPZHPH-CABCVRRESA-N 1 2 357.292 2.458 20 30 FEEDLO C=C(Br)C[N@@H+]1CC=C(CNC(=O)[C@H]2OCC[C@H]2CC)CC1 ZINC001000796174 680439280 /nfs/dbraw/zinc/43/92/80/680439280.db2.gz OJFJCUXVRPZHPH-CABCVRRESA-N 1 2 357.292 2.458 20 30 FEEDLO C=C(Br)C[N@H+]1CC=C(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC001000971242 680444415 /nfs/dbraw/zinc/44/44/15/680444415.db2.gz SIZIDYCNEBKRNG-LEOABGAYSA-N 1 2 367.287 2.067 20 30 FEEDLO C=C(Br)C[N@@H+]1CC=C(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC001000971242 680444416 /nfs/dbraw/zinc/44/44/16/680444416.db2.gz SIZIDYCNEBKRNG-LEOABGAYSA-N 1 2 367.287 2.067 20 30 FEEDLO C=C(Cl)C(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]2C1 ZINC000986772754 680531288 /nfs/dbraw/zinc/53/12/88/680531288.db2.gz UNGAWRSFMKMUAT-KGLIPLIRSA-N 1 2 364.877 2.038 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1C[NH+](CCOc2ccc(Cl)cc2)C1 ZINC001043916500 680603158 /nfs/dbraw/zinc/60/31/58/680603158.db2.gz VQECHWNVPIDZJH-MSOLQXFVSA-N 1 2 364.873 2.453 20 30 FEEDLO C=C(Br)CN1CC[C@](C)(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001046634000 680651979 /nfs/dbraw/zinc/65/19/79/680651979.db2.gz BSBFGMKDCGNSSF-IOASZLSFSA-N 1 2 367.291 2.013 20 30 FEEDLO C[C@@H](O)CN(C)[NH+]=Cc1cc(Br)cc(Br)c1N ZINC000841652609 680904777 /nfs/dbraw/zinc/90/47/77/680904777.db2.gz YAJWJRNLUOGTMG-SSDOTTSWSA-N 1 2 365.069 2.440 20 30 FEEDLO C[N@@H+](CC(=O)Nc1nc2c(s1)CCC2)C[C@H](O)c1cccc(C#N)c1 ZINC000844365439 681054321 /nfs/dbraw/zinc/05/43/21/681054321.db2.gz GBGQTYONABKWPR-HNNXBMFYSA-N 1 2 356.451 2.107 20 30 FEEDLO C[N@H+](CC(=O)Nc1nc2c(s1)CCC2)C[C@H](O)c1cccc(C#N)c1 ZINC000844365439 681054324 /nfs/dbraw/zinc/05/43/24/681054324.db2.gz GBGQTYONABKWPR-HNNXBMFYSA-N 1 2 356.451 2.107 20 30 FEEDLO Cc1ccc(S(=O)(=O)NN=C2CCC[N@@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000848399411 681536049 /nfs/dbraw/zinc/53/60/49/681536049.db2.gz QQBLXLIWEGEQJV-OAHLLOKOSA-N 1 2 366.443 2.186 20 30 FEEDLO Cc1ccc(S(=O)(=O)NN=C2CCC[N@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000848399411 681536055 /nfs/dbraw/zinc/53/60/55/681536055.db2.gz QQBLXLIWEGEQJV-OAHLLOKOSA-N 1 2 366.443 2.186 20 30 FEEDLO N#Cc1ccc(NC(=S)N2CC[NH+]([C@@H]3CCOC3)CC2)cc1Cl ZINC000849288413 681679068 /nfs/dbraw/zinc/67/90/68/681679068.db2.gz AXXGLDWIPDADKY-CQSZACIVSA-N 1 2 350.875 2.315 20 30 FEEDLO C#CCOc1cccc(Cl)c1C[NH+]1CCC(N(C)S(C)(=O)=O)CC1 ZINC000779153699 681685673 /nfs/dbraw/zinc/68/56/73/681685673.db2.gz CDRLJOJJRDYTHA-UHFFFAOYSA-N 1 2 370.902 2.208 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[NH+](CCOc2cccc(Cl)c2)CC1 ZINC000950597729 681698758 /nfs/dbraw/zinc/69/87/58/681698758.db2.gz VVMAJLIOZAISMD-MSOLQXFVSA-N 1 2 364.873 2.454 20 30 FEEDLO C=C(Cl)C(C)(C)C(=O)N1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000950779792 681707284 /nfs/dbraw/zinc/70/72/84/681707284.db2.gz BMPLTZVENRJRLA-YNEHKIRRSA-N 1 2 350.850 2.009 20 30 FEEDLO C=C(Cl)C(C)(C)C(=O)N1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000950779792 681707290 /nfs/dbraw/zinc/70/72/90/681707290.db2.gz BMPLTZVENRJRLA-YNEHKIRRSA-N 1 2 350.850 2.009 20 30 FEEDLO C=c1[nH]c(=O)[nH]c(=O)c1=C(C)[NH2+]Nc1ccc(C(=O)OC)c(Cl)c1 ZINC000782241360 682020208 /nfs/dbraw/zinc/02/02/08/682020208.db2.gz RKVYAFIFZFDQTE-UHFFFAOYSA-N 1 2 350.762 2.472 20 30 FEEDLO C[C@@H]1CC[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC#Cc4ccccc4Cl)C[C@H]32)O1 ZINC000961830863 682100723 /nfs/dbraw/zinc/10/07/23/682100723.db2.gz KZQQBHNHOVHFQQ-HSAPRAMBSA-N 1 2 358.869 2.305 20 30 FEEDLO C[C@@H]1CC[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC#Cc4ccccc4Cl)C[C@H]32)O1 ZINC000961830863 682100737 /nfs/dbraw/zinc/10/07/37/682100737.db2.gz KZQQBHNHOVHFQQ-HSAPRAMBSA-N 1 2 358.869 2.305 20 30 FEEDLO C#CCOCCNC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000784317332 682215966 /nfs/dbraw/zinc/21/59/66/682215966.db2.gz XZPHZIYBVILAJQ-INIZCTEOSA-N 1 2 367.852 2.393 20 30 FEEDLO C#CCOCCNC(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000784317332 682215969 /nfs/dbraw/zinc/21/59/69/682215969.db2.gz XZPHZIYBVILAJQ-INIZCTEOSA-N 1 2 367.852 2.393 20 30 FEEDLO N#Cc1sccc1N1CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000852342160 682263914 /nfs/dbraw/zinc/26/39/14/682263914.db2.gz IAINBYIHFHPMGO-MRXNPFEDSA-N 1 2 358.423 2.384 20 30 FEEDLO C[C@@H](NC(=O)[C@]12C[C@H]1COC2)C1C[NH+](CC#Cc2ccccc2Cl)C1 ZINC000969712332 682274165 /nfs/dbraw/zinc/27/41/65/682274165.db2.gz BZOUXIYKPLVWSH-LIVBEALHSA-N 1 2 358.869 2.165 20 30 FEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCO[C@H]2c2ccnn2CC)C1 ZINC000969881689 682280787 /nfs/dbraw/zinc/28/07/87/682280787.db2.gz WGAUFGDCTWTDPP-YSVLISHTSA-N 1 2 366.893 2.170 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)C1C[NH+](Cc2cc(F)cc(F)c2)C1 ZINC000970446478 682298642 /nfs/dbraw/zinc/29/86/42/682298642.db2.gz FMWXSNBADBGUIN-PJSAGSTRSA-N 1 2 350.409 2.492 20 30 FEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H](C)C1C[NH+](Cc2snnc2C)C1 ZINC000970560945 682307387 /nfs/dbraw/zinc/30/73/87/682307387.db2.gz RAZXMGHFZSDKGJ-PVUWLOKVSA-N 1 2 364.515 2.154 20 30 FEEDLO C#CCOc1ccccc1CNC(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000918814430 685542437 /nfs/dbraw/zinc/54/24/37/685542437.db2.gz DBSUULWFJPRLHZ-UHFFFAOYSA-N 1 2 358.467 2.216 20 30 FEEDLO OC1CCN(c2ccc(C=[NH+]NC(=S)Nc3ccccn3)cc2)CC1 ZINC000853323304 682405673 /nfs/dbraw/zinc/40/56/73/682405673.db2.gz COSNCCQHSYUWHN-UHFFFAOYSA-N 1 2 355.467 2.363 20 30 FEEDLO C#CCCCOc1ccc[nH+]c1NCCNS(=O)(=O)c1cccs1 ZINC000853454264 682416111 /nfs/dbraw/zinc/41/61/11/682416111.db2.gz CSTUTHRMHUBFCW-UHFFFAOYSA-N 1 2 365.480 2.326 20 30 FEEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1c1cc(Br)cnc1C#N ZINC000853616143 682445670 /nfs/dbraw/zinc/44/56/70/682445670.db2.gz TXNJFOSXYVNQBS-DGCLKSJQSA-N 1 2 351.248 2.015 20 30 FEEDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)C#Cc1ccc(C(F)(F)F)cc1 ZINC000855408598 682666474 /nfs/dbraw/zinc/66/64/74/682666474.db2.gz WJNBVJXEDRQCQG-KGLIPLIRSA-N 1 2 354.372 2.282 20 30 FEEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)C#Cc1ccc(C(F)(F)F)cc1 ZINC000855408598 682666476 /nfs/dbraw/zinc/66/64/76/682666476.db2.gz WJNBVJXEDRQCQG-KGLIPLIRSA-N 1 2 354.372 2.282 20 30 FEEDLO C#CCNC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000794793172 682996371 /nfs/dbraw/zinc/99/63/71/682996371.db2.gz DWIFXECUVCHKJX-UHFFFAOYSA-N 1 2 351.204 2.084 20 30 FEEDLO C#CCC[C@@H](O)CNC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000799181428 683434356 /nfs/dbraw/zinc/43/43/56/683434356.db2.gz JXAVPOHFNBSBJR-UKRRQHHQSA-N 1 2 350.488 2.271 20 30 FEEDLO C#CCC[C@@H](O)CNC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000799181428 683434360 /nfs/dbraw/zinc/43/43/60/683434360.db2.gz JXAVPOHFNBSBJR-UKRRQHHQSA-N 1 2 350.488 2.271 20 30 FEEDLO C#CC[NH+]1CCC(NS(=O)(=O)c2cc(Cl)sc2Cl)CC1 ZINC000921439513 683468222 /nfs/dbraw/zinc/46/82/22/683468222.db2.gz BUUBNRZTCSMROG-UHFFFAOYSA-N 1 2 353.296 2.431 20 30 FEEDLO COC1(OC)CCOC[C@H]1[NH2+]Cc1ccc(Br)cc1C#N ZINC000931675438 684327144 /nfs/dbraw/zinc/32/71/44/684327144.db2.gz OHLWWXYRDDVABM-CQSZACIVSA-N 1 2 355.232 2.188 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2C[C@@H]3C[C@]3(c3ccccc3)C2)nc1 ZINC000931928524 684371634 /nfs/dbraw/zinc/37/16/34/684371634.db2.gz WFVTVQMYFMEXET-PKOBYXMFSA-N 1 2 353.447 2.000 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2C[C@@H]3C[C@]3(c3ccccc3)C2)nc1 ZINC000931928524 684371640 /nfs/dbraw/zinc/37/16/40/684371640.db2.gz WFVTVQMYFMEXET-PKOBYXMFSA-N 1 2 353.447 2.000 20 30 FEEDLO C=CC[C@H]1CCN(C(=O)NC2CC[NH+](CC(=O)OC(C)(C)C)CC2)C1 ZINC000869025596 684571875 /nfs/dbraw/zinc/57/18/75/684571875.db2.gz HYSJFXCMMZANPU-HNNXBMFYSA-N 1 2 351.491 2.400 20 30 FEEDLO C=CCS(=O)(=O)CC[NH2+]Cc1nc(Cl)ccc1Br ZINC000877194373 686338721 /nfs/dbraw/zinc/33/87/21/686338721.db2.gz JQDSIBLCFNLJBD-UHFFFAOYSA-N 1 2 353.669 2.188 20 30 FEEDLO C=C(Br)C[N@H+]1CCC[C@H](Oc2ccnc(C(=O)NC)c2)C1 ZINC000878785307 686658477 /nfs/dbraw/zinc/65/84/77/686658477.db2.gz OERRBYQUHXSMNM-ZDUSSCGKSA-N 1 2 354.248 2.193 20 30 FEEDLO C=C(Br)C[N@@H+]1CCC[C@H](Oc2ccnc(C(=O)NC)c2)C1 ZINC000878785307 686658479 /nfs/dbraw/zinc/65/84/79/686658479.db2.gz OERRBYQUHXSMNM-ZDUSSCGKSA-N 1 2 354.248 2.193 20 30 FEEDLO CC(C)CC(=O)N1CCC[N@@H+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000879758774 686902341 /nfs/dbraw/zinc/90/23/41/686902341.db2.gz ZQSASHYJNQEVAD-LPHOPBHVSA-N 1 2 350.507 2.010 20 30 FEEDLO CC(C)CC(=O)N1CCC[N@H+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000879758774 686902346 /nfs/dbraw/zinc/90/23/46/686902346.db2.gz ZQSASHYJNQEVAD-LPHOPBHVSA-N 1 2 350.507 2.010 20 30 FEEDLO CC(C)CC(=O)N1CCC[N@@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000879758768 686902459 /nfs/dbraw/zinc/90/24/59/686902459.db2.gz ZQSASHYJNQEVAD-APWZRJJASA-N 1 2 350.507 2.010 20 30 FEEDLO CC(C)CC(=O)N1CCC[N@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000879758768 686902461 /nfs/dbraw/zinc/90/24/61/686902461.db2.gz ZQSASHYJNQEVAD-APWZRJJASA-N 1 2 350.507 2.010 20 30 FEEDLO C[N@@H+]1CCc2c(cccc2S(=O)(=O)Oc2cccc(OCC#N)c2)C1 ZINC000882263445 687337342 /nfs/dbraw/zinc/33/73/42/687337342.db2.gz FLHWFCBJEIYFIF-UHFFFAOYSA-N 1 2 358.419 2.345 20 30 FEEDLO C[N@H+]1CCc2c(cccc2S(=O)(=O)Oc2cccc(OCC#N)c2)C1 ZINC000882263445 687337347 /nfs/dbraw/zinc/33/73/47/687337347.db2.gz FLHWFCBJEIYFIF-UHFFFAOYSA-N 1 2 358.419 2.345 20 30 FEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(CC)Cc1cccc(Br)c1 ZINC000884079939 687784493 /nfs/dbraw/zinc/78/44/93/687784493.db2.gz FUESRNGLCQZDHD-AWEZNQCLSA-N 1 2 369.259 2.244 20 30 FEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCc1nc2cc(Cl)ccc2s1 ZINC000884103437 687789550 /nfs/dbraw/zinc/78/95/50/687789550.db2.gz KLGSWWZIFYHBPQ-JTQLQIEISA-N 1 2 353.831 2.013 20 30 FEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@H](c2ccc(F)c(F)c2)C1 ZINC000884428410 687869007 /nfs/dbraw/zinc/86/90/07/687869007.db2.gz BZOZCBKGWYAJAY-BBRMVZONSA-N 1 2 352.381 2.117 20 30 FEEDLO C=CCC1(O)CC[NH+]([C@H]2CCN(c3sccc3C(=O)OC)C2=O)CC1 ZINC000886767003 688304758 /nfs/dbraw/zinc/30/47/58/688304758.db2.gz XMULIWGUHYYHCL-AWEZNQCLSA-N 1 2 364.467 2.043 20 30 FEEDLO C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000898810089 690253745 /nfs/dbraw/zinc/25/37/45/690253745.db2.gz IEBCWSMVNIFSNE-RYUDHWBXSA-N 1 2 354.838 2.480 20 30 FEEDLO Cn1c[nH+]cc1/C=C/C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000901427132 690646011 /nfs/dbraw/zinc/64/60/11/690646011.db2.gz BIXAWKJOEBCKKO-JXMROGBWSA-N 1 2 359.451 2.491 20 30 FEEDLO C=CCN(CCc1ccco1)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000492085038 887154129 /nfs/dbraw/zinc/15/41/29/887154129.db2.gz YEBRSTQSXAWOKZ-UHFFFAOYSA-N 1 2 373.457 2.071 20 30 FEEDLO N#CCCOCC[NH+]1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000549746445 674060504 /nfs/dbraw/zinc/06/05/04/674060504.db2.gz FHZXRSXIAURERW-UHFFFAOYSA-N 1 2 355.360 2.393 20 30 FEEDLO COC(=O)c1ccc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000017842936 539643760 /nfs/dbraw/zinc/64/37/60/539643760.db2.gz CIWIZGQHUYBJAN-UHFFFAOYSA-N 1 2 363.417 2.303 20 30 FEEDLO C[C@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN(Cc3ccccc3C#N)CC2)C1 ZINC000023257288 539710212 /nfs/dbraw/zinc/71/02/12/539710212.db2.gz CUHDPYBSAHXCGP-ROUUACIJSA-N 1 2 354.498 2.180 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C[C@H](O)COc3ccccc3)CC2)cc1 ZINC000023258969 539710446 /nfs/dbraw/zinc/71/04/46/539710446.db2.gz ABZZFSMIGLRGJW-FQEVSTJZSA-N 1 2 351.450 2.116 20 30 FEEDLO CCOc1ccc(N(CCC#N)C(=O)C[NH+]2CCC(C(=O)OC)CC2)cc1 ZINC000028928366 539839744 /nfs/dbraw/zinc/83/97/44/539839744.db2.gz PBEPOEHCXDTNEM-UHFFFAOYSA-N 1 2 373.453 2.217 20 30 FEEDLO N#Cc1ccccc1OCC(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000029086103 539842049 /nfs/dbraw/zinc/84/20/49/539842049.db2.gz HRMFPCXRVFRZFS-IBGZPJMESA-N 1 2 365.433 2.127 20 30 FEEDLO C[C@@H](C(=O)NCC1CCCCC1)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000029445063 539853619 /nfs/dbraw/zinc/85/36/19/539853619.db2.gz XGZMALNLKPYREN-INIZCTEOSA-N 1 2 355.486 2.160 20 30 FEEDLO C[C@](C#N)(NC(=O)CN1CC[NH+](Cc2ccc(Cl)cc2)CC1)C1CC1 ZINC000029640864 539860028 /nfs/dbraw/zinc/86/00/28/539860028.db2.gz SLXZDPKRMURMON-LJQANCHMSA-N 1 2 360.889 2.266 20 30 FEEDLO CNC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1CCC(=O)Nc1sccc1C#N ZINC000030707068 539890268 /nfs/dbraw/zinc/89/02/68/539890268.db2.gz JWBXDOAOKIZAIV-INIZCTEOSA-N 1 2 368.462 2.121 20 30 FEEDLO CNC(=O)[C@@H]1Cc2ccccc2C[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000030707068 539890270 /nfs/dbraw/zinc/89/02/70/539890270.db2.gz JWBXDOAOKIZAIV-INIZCTEOSA-N 1 2 368.462 2.121 20 30 FEEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)[C@@H]2CCN(c3ccccc3)[C@@H]2C)c1C#N ZINC000530405782 539962751 /nfs/dbraw/zinc/96/27/51/539962751.db2.gz VRPGBSLJQGDPGS-GDBMZVCRSA-N 1 2 366.469 2.287 20 30 FEEDLO COc1ccc(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)c(OC)c1OC ZINC000037133004 539995473 /nfs/dbraw/zinc/99/54/73/539995473.db2.gz RAOBBAFMBGJCOB-UHFFFAOYSA-N 1 2 368.437 2.301 20 30 FEEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN(Cc2cn3ccccc3n2)CC1 ZINC000042537879 540065990 /nfs/dbraw/zinc/06/59/90/540065990.db2.gz PFGLQILLSKEMCK-GOSISDBHSA-N 1 2 369.513 2.265 20 30 FEEDLO C=CCSCCNC(=O)C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000550421205 674094562 /nfs/dbraw/zinc/09/45/62/674094562.db2.gz QLIIEYCFGHJJSK-HNNXBMFYSA-N 1 2 369.918 2.094 20 30 FEEDLO N#Cc1ccc(CNC(=O)N2CC[NH+](CCOc3ccccc3)CC2)cc1 ZINC000046048168 540239082 /nfs/dbraw/zinc/23/90/82/540239082.db2.gz PQHROHOYADDYKQ-UHFFFAOYSA-N 1 2 364.449 2.464 20 30 FEEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)[C@@H](c2cccc(Cl)c2)N(C)C)c1C#N ZINC000534795707 540413492 /nfs/dbraw/zinc/41/34/92/540413492.db2.gz LKKQYRYXGDHIJH-MRXNPFEDSA-N 1 2 374.876 2.328 20 30 FEEDLO Cc1ncsc1C(=O)NC1CC[NH+](CC(=O)Nc2nccs2)CC1 ZINC000051099663 540422845 /nfs/dbraw/zinc/42/28/45/540422845.db2.gz MDJGMAKUMLPZDH-UHFFFAOYSA-N 1 2 365.484 2.390 20 30 FEEDLO COc1cc(C#N)ccc1OCC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000053306098 540525252 /nfs/dbraw/zinc/52/52/52/540525252.db2.gz VPNXHAFCHIZFIC-UHFFFAOYSA-N 1 2 371.462 2.352 20 30 FEEDLO CCCCNC(=O)CO[NH+]=C(N)c1ccc(OCc2cccnc2)cc1 ZINC000060197196 540869479 /nfs/dbraw/zinc/86/94/79/540869479.db2.gz GGCBRGNJOYIXCF-UHFFFAOYSA-N 1 2 356.426 2.214 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)CCc1nc2ccccc2s1 ZINC000060634018 541119798 /nfs/dbraw/zinc/11/97/98/541119798.db2.gz JWGFKJSNBLYEBZ-UHFFFAOYSA-N 1 2 372.494 2.303 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1cc(F)c(F)cc1Cl ZINC000060633975 541119947 /nfs/dbraw/zinc/11/99/47/541119947.db2.gz CSHQKMGIWPWSTA-UHFFFAOYSA-N 1 2 357.788 2.306 20 30 FEEDLO COc1cc(C(N)=[NH+]OCC(=O)N2CCCC[C@H]2C)cc(Cl)c1OC ZINC000063458315 541168839 /nfs/dbraw/zinc/16/88/39/541168839.db2.gz LSRQCRVUEXDVFK-LLVKDONJSA-N 1 2 369.849 2.395 20 30 FEEDLO CSc1[nH]c(=O)c(C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1C#N ZINC000068085597 541546775 /nfs/dbraw/zinc/54/67/75/541546775.db2.gz OKUJLANQOUNMKI-CHWSQXEVSA-N 1 2 362.499 2.479 20 30 FEEDLO N#CCCN(CCC#N)C(=O)C[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000069032603 541650355 /nfs/dbraw/zinc/65/03/55/541650355.db2.gz OQRIKFHDOLLEFW-UHFFFAOYSA-N 1 2 359.861 2.118 20 30 FEEDLO C=CC[NH+](CC=C)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000072590361 541835783 /nfs/dbraw/zinc/83/57/83/541835783.db2.gz PQFCTCLFQOCXHU-UHFFFAOYSA-N 1 2 371.890 2.203 20 30 FEEDLO C=CC[NH+](CC=C)CC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000072590340 541835997 /nfs/dbraw/zinc/83/59/97/541835997.db2.gz OMIXNDZLEXQXTP-UHFFFAOYSA-N 1 2 363.483 2.084 20 30 FEEDLO CCO[C@@H](C)c1noc(C[N@H+](C)CCC(=O)Nc2ccccc2C#N)n1 ZINC000072761706 541860892 /nfs/dbraw/zinc/86/08/92/541860892.db2.gz YIFVNSKNEMOSJZ-ZDUSSCGKSA-N 1 2 357.414 2.499 20 30 FEEDLO CCO[C@@H](C)c1noc(C[N@@H+](C)CCC(=O)Nc2ccccc2C#N)n1 ZINC000072761706 541860895 /nfs/dbraw/zinc/86/08/95/541860895.db2.gz YIFVNSKNEMOSJZ-ZDUSSCGKSA-N 1 2 357.414 2.499 20 30 FEEDLO N#Cc1ccc(CNC(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)c(F)c1 ZINC000072851505 541880119 /nfs/dbraw/zinc/88/01/19/541880119.db2.gz SLXFGTIJCJRGME-UHFFFAOYSA-N 1 2 363.352 2.138 20 30 FEEDLO CNC(=O)c1cccc(C[NH+]2CCN(c3cccc(F)c3C#N)CC2)c1 ZINC000072958954 541898560 /nfs/dbraw/zinc/89/85/60/541898560.db2.gz RBNKJAXBOJABOA-UHFFFAOYSA-N 1 2 352.413 2.379 20 30 FEEDLO CO[C@H](CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(C)(C)C ZINC000073150191 541925580 /nfs/dbraw/zinc/92/55/80/541925580.db2.gz UCZNCDYSRRUDIR-GOSISDBHSA-N 1 2 358.486 2.447 20 30 FEEDLO Cc1nc(CN2CC[NH+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC2)cs1 ZINC000073368579 541948263 /nfs/dbraw/zinc/94/82/63/541948263.db2.gz DNVYFZKFAGEZQU-RDTXWAMCSA-N 1 2 363.531 2.012 20 30 FEEDLO CC(C)CCC[C@@H](C)NC(=O)C[N@@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000247409708 549330685 /nfs/dbraw/zinc/33/06/85/549330685.db2.gz RPOMJWRGJLLBEQ-SJORKVTESA-N 1 2 372.517 2.190 20 30 FEEDLO COc1cc(C#N)ccc1OCC[NH+]1CCN(Cc2cc(C)on2)CC1 ZINC000077247494 542359224 /nfs/dbraw/zinc/35/92/24/542359224.db2.gz DHADUWVEAVIFDN-UHFFFAOYSA-N 1 2 356.426 2.060 20 30 FEEDLO CC(C)CCC[C@@H](C)NC(=O)C[N@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000247409708 549330690 /nfs/dbraw/zinc/33/06/90/549330690.db2.gz RPOMJWRGJLLBEQ-SJORKVTESA-N 1 2 372.517 2.190 20 30 FEEDLO COc1ccc(C#N)cc1NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000078099623 542441149 /nfs/dbraw/zinc/44/11/49/542441149.db2.gz SEUTYIVKTNQDHW-LJQANCHMSA-N 1 2 351.406 2.406 20 30 FEEDLO COc1ccc(C#N)cc1NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000078099623 542441152 /nfs/dbraw/zinc/44/11/52/542441152.db2.gz SEUTYIVKTNQDHW-LJQANCHMSA-N 1 2 351.406 2.406 20 30 FEEDLO C[C@@H](O[NH+]=C(N)c1ccc(N2CCCCC2)nc1)C(=O)N1CCCCCC1 ZINC000078696062 542476881 /nfs/dbraw/zinc/47/68/81/542476881.db2.gz UGCWXZJOVFWRMR-MRXNPFEDSA-N 1 2 373.501 2.500 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000060633934 221132858 /nfs/dbraw/zinc/13/28/58/221132858.db2.gz WYZYGQUJDYNCJT-UHFFFAOYSA-N 1 2 355.360 2.393 20 30 FEEDLO Cc1ccccc1Cc1nc(CN(CCC#N)CC[NH+]2CCOCC2)no1 ZINC000083221238 542694342 /nfs/dbraw/zinc/69/43/42/542694342.db2.gz VOMHDPLSZFQPAV-UHFFFAOYSA-N 1 2 369.469 2.017 20 30 FEEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCC(c2nc[nH]n2)CC1 ZINC000083446213 542697604 /nfs/dbraw/zinc/69/76/04/542697604.db2.gz JVSBXCACYHYXKA-XAUUPUKJSA-N 1 2 358.490 2.303 20 30 FEEDLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(CC(=O)N(CCC#N)CCC#N)CC1 ZINC000091981190 542835267 /nfs/dbraw/zinc/83/52/67/542835267.db2.gz BMBGCZIOSYDNOT-KRWDZBQOSA-N 1 2 371.460 2.160 20 30 FEEDLO N#Cc1ccc(OC2CCC(NC(=O)[C@H]3CCn4c[nH+]cc4C3)CC2)nc1 ZINC000092035166 542839666 /nfs/dbraw/zinc/83/96/66/542839666.db2.gz SPTDSBRWGNSNTK-HJOIGYKYSA-N 1 2 365.437 2.219 20 30 FEEDLO COc1ccc(OCc2ccccn2)c(C[NH+]2CCN(CC#N)CC2)c1 ZINC000092936157 542897096 /nfs/dbraw/zinc/89/70/96/542897096.db2.gz MDDQOBLZEZFXOJ-UHFFFAOYSA-N 1 2 352.438 2.310 20 30 FEEDLO Cc1cc(N2CCN(C(=O)c3ccc(C#N)cn3)CC2)nc(C(C)C)[nH+]1 ZINC000107542194 543272366 /nfs/dbraw/zinc/27/23/66/543272366.db2.gz BGYATPAEFFIXOB-UHFFFAOYSA-N 1 2 350.426 2.138 20 30 FEEDLO CC(C)C[N@H+](CC(N)=O)CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000108358209 543287818 /nfs/dbraw/zinc/28/78/18/543287818.db2.gz BMNXHHDRDOZFCY-AWEZNQCLSA-N 1 2 362.499 2.320 20 30 FEEDLO CC(C)C[N@@H+](CC(N)=O)CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000108358209 543287821 /nfs/dbraw/zinc/28/78/21/543287821.db2.gz BMNXHHDRDOZFCY-AWEZNQCLSA-N 1 2 362.499 2.320 20 30 FEEDLO N#Cc1ccccc1N1CCC[C@H](NC(=O)NCCCn2cc[nH+]c2)C1 ZINC000109163935 543316333 /nfs/dbraw/zinc/31/63/33/543316333.db2.gz IZIPCSGULSKHRS-KRWDZBQOSA-N 1 2 352.442 2.113 20 30 FEEDLO C=CCN1C(=O)c2ccc(C(=O)NCc3cn4c(cccc4C)[nH+]3)cc2C1=O ZINC000109307505 543320883 /nfs/dbraw/zinc/32/08/83/543320883.db2.gz OIKVXPPBWXFASO-UHFFFAOYSA-N 1 2 374.400 2.355 20 30 FEEDLO CCOCC[NH+]1CCN(C(=O)[C@H](Oc2ccccc2C#N)C(C)C)CC1 ZINC000110921425 543374143 /nfs/dbraw/zinc/37/41/43/543374143.db2.gz DSLYCZBFNQRQRI-LJQANCHMSA-N 1 2 359.470 2.142 20 30 FEEDLO CC[C@@H](C)NC(=O)c1cccc(C[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)c1 ZINC000115597279 543577502 /nfs/dbraw/zinc/57/75/02/543577502.db2.gz OWXYEIJYUOHEIB-AUUYWEPGSA-N 1 2 364.449 2.403 20 30 FEEDLO N#CCCCOc1cccc(C[NH+]2CCN(CC(=O)N3CCCC3)CC2)c1 ZINC000119634338 543669781 /nfs/dbraw/zinc/66/97/81/543669781.db2.gz DACHPLPZGIXDMY-UHFFFAOYSA-N 1 2 370.497 2.109 20 30 FEEDLO N#CCCCOc1cccc(CN2CC[NH+](CC(=O)N3CCCC3)CC2)c1 ZINC000119634338 543669783 /nfs/dbraw/zinc/66/97/83/543669783.db2.gz DACHPLPZGIXDMY-UHFFFAOYSA-N 1 2 370.497 2.109 20 30 FEEDLO C[C@@H](C1CCOCC1)N1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000123004107 543736752 /nfs/dbraw/zinc/73/67/52/543736752.db2.gz PMGUMNPODDXJHE-ZDUSSCGKSA-N 1 2 354.454 2.461 20 30 FEEDLO N#Cc1cnc2ccccc2c1N1CC[NH+](Cc2cc(=O)c(O)co2)CC1 ZINC000124267548 543810787 /nfs/dbraw/zinc/81/07/87/543810787.db2.gz PFLHKBWVXPHZJP-UHFFFAOYSA-N 1 2 362.389 2.087 20 30 FEEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+](C)Cc1cnn(C)c1 ZINC000126933609 543964268 /nfs/dbraw/zinc/96/42/68/543964268.db2.gz NTADGKSUMJRHIY-HNNXBMFYSA-N 1 2 355.442 2.196 20 30 FEEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+](C)Cc1cnn(C)c1 ZINC000126933609 543964271 /nfs/dbraw/zinc/96/42/71/543964271.db2.gz NTADGKSUMJRHIY-HNNXBMFYSA-N 1 2 355.442 2.196 20 30 FEEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000128513457 544056683 /nfs/dbraw/zinc/05/66/83/544056683.db2.gz GNUDTJKVUXKWLC-STQMWFEESA-N 1 2 351.834 2.193 20 30 FEEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000128513457 544056686 /nfs/dbraw/zinc/05/66/86/544056686.db2.gz GNUDTJKVUXKWLC-STQMWFEESA-N 1 2 351.834 2.193 20 30 FEEDLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(CC#Cc2ccc(Cl)cc2)CC1 ZINC000130330245 544147012 /nfs/dbraw/zinc/14/70/12/544147012.db2.gz OCDNHIIAXZHNTN-KRWDZBQOSA-N 1 2 359.901 2.320 20 30 FEEDLO CSc1[nH]c(=O)c(C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)cc1C#N ZINC000130797248 544165203 /nfs/dbraw/zinc/16/52/03/544165203.db2.gz BJIZZFVSOFKZPF-OAHLLOKOSA-N 1 2 374.441 2.140 20 30 FEEDLO C[C@H](c1nnnn1-c1ccccc1)[N@@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000098136905 222229300 /nfs/dbraw/zinc/22/93/00/222229300.db2.gz QFSLONHJFJEOCU-MRXNPFEDSA-N 1 2 374.452 2.202 20 30 FEEDLO C[C@H](c1nnnn1-c1ccccc1)[N@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000098136905 222229303 /nfs/dbraw/zinc/22/93/03/222229303.db2.gz QFSLONHJFJEOCU-MRXNPFEDSA-N 1 2 374.452 2.202 20 30 FEEDLO CCOc1ccccc1N1CC[NH+](CC(=O)N(CC)C[C@H](C)C#N)CC1 ZINC000132355011 544228094 /nfs/dbraw/zinc/22/80/94/544228094.db2.gz JGYLSWURIDNXJX-QGZVFWFLSA-N 1 2 358.486 2.215 20 30 FEEDLO O=C(C#Cc1ccc2c(c1)OCO2)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000134373792 544305743 /nfs/dbraw/zinc/30/57/43/544305743.db2.gz JRZGKSGDBGQAEE-UHFFFAOYSA-N 1 2 363.417 2.469 20 30 FEEDLO Cc1sc(NC(=O)C[N@@H+]2CCS[C@H]3COCC[C@@H]32)c(C#N)c1C ZINC000135546857 544351915 /nfs/dbraw/zinc/35/19/15/544351915.db2.gz HRLPHQYCFYNVFF-KBPBESRZSA-N 1 2 351.497 2.381 20 30 FEEDLO Cc1sc(NC(=O)C[N@H+]2CCS[C@H]3COCC[C@@H]32)c(C#N)c1C ZINC000135546857 544351918 /nfs/dbraw/zinc/35/19/18/544351918.db2.gz HRLPHQYCFYNVFF-KBPBESRZSA-N 1 2 351.497 2.381 20 30 FEEDLO Cc1cccc(NC(=O)C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1C#N ZINC000151455648 544544190 /nfs/dbraw/zinc/54/41/90/544544190.db2.gz KVMYCIQOLMRLAY-WMLDXEAASA-N 1 2 351.410 2.111 20 30 FEEDLO N#Cc1ccc2[nH+]cc(CNc3ccc(C[C@@H]4CC(=O)NC4=O)cc3)n2c1 ZINC000151659494 544567307 /nfs/dbraw/zinc/56/73/07/544567307.db2.gz MOBJNRQRXPMHFO-OAHLLOKOSA-N 1 2 359.389 2.023 20 30 FEEDLO Cc1ccc(C#N)cc1S(=O)(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000153923513 544840927 /nfs/dbraw/zinc/84/09/27/544840927.db2.gz KDKMNWOVVAWILO-UHFFFAOYSA-N 1 2 371.462 2.500 20 30 FEEDLO N#Cc1ccc(C(=O)NCc2ccc[nH+]c2N2CCOCC2)cc1Cl ZINC000154265196 544882987 /nfs/dbraw/zinc/88/29/87/544882987.db2.gz ANFJJOKVWKMLEW-UHFFFAOYSA-N 1 2 356.813 2.373 20 30 FEEDLO COc1cc(CN(CCC#N)CC[NH+]2CCOCC2)cc(Cl)c1OC ZINC000154801476 544950865 /nfs/dbraw/zinc/95/08/65/544950865.db2.gz QNDQLHRWOLVJPC-UHFFFAOYSA-N 1 2 367.877 2.405 20 30 FEEDLO COc1cc2c(c(CN(CCC#N)CC[NH+]3CCOCC3)c1)O[C@H](C)C2 ZINC000154813976 544952364 /nfs/dbraw/zinc/95/23/64/544952364.db2.gz ZHHJQUPVTLZITP-MRXNPFEDSA-N 1 2 359.470 2.066 20 30 FEEDLO Cc1[nH+]cc(CN(CCC#N)CCN2CCOCC2)n1-c1ccccc1 ZINC000154751979 544944613 /nfs/dbraw/zinc/94/46/13/544944613.db2.gz KFLHJOPDKOKDQP-UHFFFAOYSA-N 1 2 353.470 2.229 20 30 FEEDLO C[N@@H+]1CCN(S(=O)(=O)c2cccc(Br)c2C#N)C(C)(C)C1 ZINC000553868660 674290964 /nfs/dbraw/zinc/29/09/64/674290964.db2.gz ADBWKSXDQBXHOT-UHFFFAOYSA-N 1 2 372.288 2.035 20 30 FEEDLO C[N@H+]1CCN(S(=O)(=O)c2cccc(Br)c2C#N)C(C)(C)C1 ZINC000553868660 674290966 /nfs/dbraw/zinc/29/09/66/674290966.db2.gz ADBWKSXDQBXHOT-UHFFFAOYSA-N 1 2 372.288 2.035 20 30 FEEDLO C[N@@H+]1CCN(c2nc(Cl)c(C#N)s2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000804554871 674291976 /nfs/dbraw/zinc/29/19/76/674291976.db2.gz ILUWRLGSUNXSBF-SNVBAGLBSA-N 1 2 371.894 2.313 20 30 FEEDLO C[N@H+]1CCN(c2nc(Cl)c(C#N)s2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000804554871 674291979 /nfs/dbraw/zinc/29/19/79/674291979.db2.gz ILUWRLGSUNXSBF-SNVBAGLBSA-N 1 2 371.894 2.313 20 30 FEEDLO N#Cc1ccc(C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)cc1O ZINC000190735424 328228788 /nfs/dbraw/zinc/22/87/88/328228788.db2.gz AKANMFXBCRBZDM-UHFFFAOYSA-N 1 2 351.406 2.026 20 30 FEEDLO Cn1cc(C[N@H+](C)CC(=O)Nc2ccc(Br)cn2)cc1C#N ZINC000191311071 328259462 /nfs/dbraw/zinc/25/94/62/328259462.db2.gz CFPFQDSRSYLEDK-UHFFFAOYSA-N 1 2 362.231 2.125 20 30 FEEDLO Cn1cc(C[N@@H+](C)CC(=O)Nc2ccc(Br)cn2)cc1C#N ZINC000191311071 328259463 /nfs/dbraw/zinc/25/94/63/328259463.db2.gz CFPFQDSRSYLEDK-UHFFFAOYSA-N 1 2 362.231 2.125 20 30 FEEDLO Cn1cc(C[NH+]2CCN(c3nnc(C(F)(F)F)s3)CC2)cc1C#N ZINC000191516538 328269268 /nfs/dbraw/zinc/26/92/68/328269268.db2.gz ZSIWHBAYNJROSF-UHFFFAOYSA-N 1 2 356.377 2.089 20 30 FEEDLO Cc1ccc([C@H](CNC(=O)c2ccnc(C#N)c2)[NH+]2CCOCC2)cc1 ZINC000192806729 328341103 /nfs/dbraw/zinc/34/11/03/328341103.db2.gz AEPMNOODAROHII-IBGZPJMESA-N 1 2 350.422 2.065 20 30 FEEDLO CC(C)Cn1cc[nH+]c1CNC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000193024665 328352584 /nfs/dbraw/zinc/35/25/84/328352584.db2.gz GKDUOQOTXHSZBJ-UHFFFAOYSA-N 1 2 370.457 2.222 20 30 FEEDLO Cc1nc(C#N)c(N2CCC(C(=O)NCCCNc3cccc[nH+]3)CC2)o1 ZINC000193299564 328367582 /nfs/dbraw/zinc/36/75/82/328367582.db2.gz CDUCXIUMGFDZHD-UHFFFAOYSA-N 1 2 368.441 2.085 20 30 FEEDLO C[C@@H](C(=O)NCCC1=CCCCC1)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000193771201 328394221 /nfs/dbraw/zinc/39/42/21/328394221.db2.gz RMAYXVQPZYHPMU-KRWDZBQOSA-N 1 2 367.497 2.470 20 30 FEEDLO CC(C)CCC[C@@H](C)NC(=O)C[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000193771922 328394349 /nfs/dbraw/zinc/39/43/49/328394349.db2.gz GKHJSMVQRBXFNQ-QGZVFWFLSA-N 1 2 357.502 2.406 20 30 FEEDLO N#Cc1cccc(C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)c1 ZINC000022383693 324398439 /nfs/dbraw/zinc/39/84/39/324398439.db2.gz UIGKAVVXVIQTSZ-UHFFFAOYSA-N 1 2 362.433 2.391 20 30 FEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[NH+]1CCC(C(=O)N2CCCC2)CC1 ZINC000083132859 325213692 /nfs/dbraw/zinc/21/36/92/325213692.db2.gz JJRJAZHTMGHERJ-SFHVURJKSA-N 1 2 355.438 2.107 20 30 FEEDLO COC(=O)[C@@H](c1cccc(C#N)c1)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000083220622 325216947 /nfs/dbraw/zinc/21/69/47/325216947.db2.gz YTNHBBFHBZAXPB-HXUWFJFHSA-N 1 2 365.433 2.296 20 30 FEEDLO COC(=O)c1ccc(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)cc1F ZINC000089116839 325303763 /nfs/dbraw/zinc/30/37/63/325303763.db2.gz RYXLTCNPEUBMAO-UHFFFAOYSA-N 1 2 354.385 2.201 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)NCCCn2cc[nH+]c2)cc1C(F)(F)F ZINC000091212702 325380040 /nfs/dbraw/zinc/38/00/40/325380040.db2.gz QFJZHOBYEJHWKY-UHFFFAOYSA-N 1 2 358.345 2.142 20 30 FEEDLO N#Cc1nc(N2CC[NH+](CC(=O)NC3CCCCC3)CC2)ccc1Cl ZINC000109129399 325659475 /nfs/dbraw/zinc/65/94/75/325659475.db2.gz OCAAFOPFNAEWTJ-UHFFFAOYSA-N 1 2 361.877 2.178 20 30 FEEDLO N#Cc1cccc(NCC(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)c1 ZINC000121268558 326326101 /nfs/dbraw/zinc/32/61/01/326326101.db2.gz XGTQNBGJHKREFM-UHFFFAOYSA-N 1 2 352.413 2.454 20 30 FEEDLO N#Cc1csc(C[NH+]2CCN(Cc3nc(N)c4ccccc4n3)CC2)c1 ZINC000122567291 326401652 /nfs/dbraw/zinc/40/16/52/326401652.db2.gz SGUMSXJIGTXQDZ-UHFFFAOYSA-N 1 2 364.478 2.463 20 30 FEEDLO C[C@@H](Oc1ccccc1C#N)C(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000130926088 326565780 /nfs/dbraw/zinc/56/57/80/326565780.db2.gz KVWLCKSDBZNMQI-MRXNPFEDSA-N 1 2 365.433 2.376 20 30 FEEDLO COc1ccc(CN2CC[NH+]([C@@H](C)C(=O)NC3CCCC3)CC2)cc1C#N ZINC000135043433 326635268 /nfs/dbraw/zinc/63/52/68/326635268.db2.gz QMAAFSHORHASPP-INIZCTEOSA-N 1 2 370.497 2.132 20 30 FEEDLO Cc1oc(NC(=O)[C@H](C)[NH+]2CCC(Cn3ccnn3)CC2)c(C#N)c1C ZINC000155992759 326813475 /nfs/dbraw/zinc/81/34/75/326813475.db2.gz DVTRLDYNNCYHJM-ZDUSSCGKSA-N 1 2 356.430 2.099 20 30 FEEDLO CC(C)c1[nH+]c2c(n1C)CCN(S(=O)(=O)c1ccc(F)cc1C#N)C2 ZINC000157540165 326868253 /nfs/dbraw/zinc/86/82/53/326868253.db2.gz PFVDOYQUXZUKPE-UHFFFAOYSA-N 1 2 362.430 2.301 20 30 FEEDLO CC[N@@H+]1CCO[C@H](C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)C1 ZINC000174057058 327303787 /nfs/dbraw/zinc/30/37/87/327303787.db2.gz JCGQIJWMOAZLRJ-INIZCTEOSA-N 1 2 356.451 2.265 20 30 FEEDLO CC[N@H+]1CCO[C@H](C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)C1 ZINC000174057058 327303788 /nfs/dbraw/zinc/30/37/88/327303788.db2.gz JCGQIJWMOAZLRJ-INIZCTEOSA-N 1 2 356.451 2.265 20 30 FEEDLO N#Cc1ccsc1NC(=O)CN(CC[NH+]1CCOCC1)c1ccccc1 ZINC000177650728 327535613 /nfs/dbraw/zinc/53/56/13/327535613.db2.gz AMDOBLGSXIYECB-UHFFFAOYSA-N 1 2 370.478 2.397 20 30 FEEDLO C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)c1cc(C#N)c[nH]1 ZINC000177817097 327546801 /nfs/dbraw/zinc/54/68/01/327546801.db2.gz ZRVGBYALROLXFH-MRXNPFEDSA-N 1 2 352.438 2.249 20 30 FEEDLO Cc1c(C#N)cccc1NC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000178584503 327593709 /nfs/dbraw/zinc/59/37/09/327593709.db2.gz QTSQTNUYMVCCKI-SFHVURJKSA-N 1 2 360.483 2.196 20 30 FEEDLO C[C@@H](C(=O)NCC1CCCCC1)[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000253375945 328797878 /nfs/dbraw/zinc/79/78/78/328797878.db2.gz RNQLPGKRBQBJBY-INIZCTEOSA-N 1 2 355.486 2.160 20 30 FEEDLO CCN1CC[NH+]([C@@H]2CCN(C(=O)N[C@H](C)c3ccc(C#N)cc3)C2)CC1 ZINC000264370375 329015344 /nfs/dbraw/zinc/01/53/44/329015344.db2.gz GKODIRJTFYIGBB-VQIMIIECSA-N 1 2 355.486 2.041 20 30 FEEDLO Cc1ccc(C#N)cc1S(=O)(=O)N(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000265105602 329091506 /nfs/dbraw/zinc/09/15/06/329091506.db2.gz GEENJHIUWJPWLE-UHFFFAOYSA-N 1 2 372.372 2.446 20 30 FEEDLO CC1(C)[C@H](NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)[C@@H]2CCO[C@@H]21 ZINC000265983660 329179019 /nfs/dbraw/zinc/17/90/19/329179019.db2.gz PBCBUVPVAWDYDI-OTWHNJEPSA-N 1 2 368.481 2.199 20 30 FEEDLO CNc1cc(N2CCC[C@H]2CNC(=O)/C=C/c2ccc(C#N)cc2)nc[nH+]1 ZINC000266313063 329210545 /nfs/dbraw/zinc/21/05/45/329210545.db2.gz GOYUMALRCGEMPV-IJDCCNJMSA-N 1 2 362.437 2.188 20 30 FEEDLO CNc1cc(N2CCC[C@H]2CNC(=O)/C=C/c2ccc(C#N)cc2)[nH+]cn1 ZINC000266313063 329210546 /nfs/dbraw/zinc/21/05/46/329210546.db2.gz GOYUMALRCGEMPV-IJDCCNJMSA-N 1 2 362.437 2.188 20 30 FEEDLO Cc1sc(NC(=O)C[NH+]2CCC(NC(=O)C(C)C)CC2)c(C#N)c1C ZINC000267029664 329284800 /nfs/dbraw/zinc/28/48/00/329284800.db2.gz DPHVJGBTCGPSMV-UHFFFAOYSA-N 1 2 362.499 2.412 20 30 FEEDLO COCc1noc([C@H](C)[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)n1 ZINC000273301990 329853951 /nfs/dbraw/zinc/85/39/51/329853951.db2.gz HBTWBXUQBDQEJE-ZDUSSCGKSA-N 1 2 369.425 2.499 20 30 FEEDLO Cc1nnc([C@H](C)NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000273642743 329881105 /nfs/dbraw/zinc/88/11/05/329881105.db2.gz HRAWDQMFCUSTOB-ZDUSSCGKSA-N 1 2 370.482 2.307 20 30 FEEDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000369337735 330241506 /nfs/dbraw/zinc/24/15/06/330241506.db2.gz DJBUOJNFQJHXPE-UHFFFAOYSA-N 1 2 371.828 2.342 20 30 FEEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1nc2cc(F)ccc2o1 ZINC000155519845 545536862 /nfs/dbraw/zinc/53/68/62/545536862.db2.gz ZVGDZGKGXHBULO-LBPRGKRZSA-N 1 2 352.373 2.339 20 30 FEEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1nc2cc(F)ccc2o1 ZINC000155519845 545536863 /nfs/dbraw/zinc/53/68/63/545536863.db2.gz ZVGDZGKGXHBULO-LBPRGKRZSA-N 1 2 352.373 2.339 20 30 FEEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+](CCO)Cc1cccnc1 ZINC000156762930 545656395 /nfs/dbraw/zinc/65/63/95/545656395.db2.gz ROWAQQUAIDOYGH-INIZCTEOSA-N 1 2 370.428 2.350 20 30 FEEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+](CCO)Cc1cccnc1 ZINC000156762930 545656405 /nfs/dbraw/zinc/65/64/05/545656405.db2.gz ROWAQQUAIDOYGH-INIZCTEOSA-N 1 2 370.428 2.350 20 30 FEEDLO CO[C@]1(C)C[C@H]([N@H+](C)CCS(=O)(=O)c2cccc(C#N)c2)C1(C)C ZINC000156809053 545664352 /nfs/dbraw/zinc/66/43/52/545664352.db2.gz MUFLFNKJKHCAMZ-FUHWJXTLSA-N 1 2 350.484 2.467 20 30 FEEDLO CO[C@]1(C)C[C@H]([N@@H+](C)CCS(=O)(=O)c2cccc(C#N)c2)C1(C)C ZINC000156809053 545664357 /nfs/dbraw/zinc/66/43/57/545664357.db2.gz MUFLFNKJKHCAMZ-FUHWJXTLSA-N 1 2 350.484 2.467 20 30 FEEDLO CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000157400358 545736744 /nfs/dbraw/zinc/73/67/44/545736744.db2.gz RPRGTDPSORXCMP-UHFFFAOYSA-N 1 2 364.449 2.455 20 30 FEEDLO C=C(Br)C[NH+]1CCC(NS(=O)(=O)c2ccccc2)CC1 ZINC000157401675 545737470 /nfs/dbraw/zinc/73/74/70/545737470.db2.gz YHNDHRXCCZUPOW-UHFFFAOYSA-N 1 2 359.289 2.338 20 30 FEEDLO CC(C)COc1cccc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000478226594 561162529 /nfs/dbraw/zinc/16/25/29/561162529.db2.gz AKKKXHCUKWFVSX-UHFFFAOYSA-N 1 2 359.470 2.409 20 30 FEEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C[C@@H](CC)c2ccc(C)cc2)CC1 ZINC000159067768 545918498 /nfs/dbraw/zinc/91/84/98/545918498.db2.gz LMSGVZCBUIWUQK-LJQANCHMSA-N 1 2 369.509 2.162 20 30 FEEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C[C@@H](CC)c2ccc(C)cc2)CC1 ZINC000159067768 545918502 /nfs/dbraw/zinc/91/85/02/545918502.db2.gz LMSGVZCBUIWUQK-LJQANCHMSA-N 1 2 369.509 2.162 20 30 FEEDLO N#Cc1ccsc1NC(=O)C[NH+]1CCC(NC(=O)c2ccoc2)CC1 ZINC000166415192 546157327 /nfs/dbraw/zinc/15/73/27/546157327.db2.gz ZNWZYKRSKJAINR-UHFFFAOYSA-N 1 2 358.423 2.046 20 30 FEEDLO N#CCOc1ccc(CNc2cc(N3CCC[C@H](CO)C3)nc[nH+]2)cc1 ZINC000171920440 546230642 /nfs/dbraw/zinc/23/06/42/546230642.db2.gz VXCVKJALXPLWMY-INIZCTEOSA-N 1 2 353.426 2.200 20 30 FEEDLO N#CCOc1ccc(CNc2cc(N3CCC[C@H](CO)C3)[nH+]cn2)cc1 ZINC000171920440 546230645 /nfs/dbraw/zinc/23/06/45/546230645.db2.gz VXCVKJALXPLWMY-INIZCTEOSA-N 1 2 353.426 2.200 20 30 FEEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@H](OCCO)C1 ZINC000172294658 546244662 /nfs/dbraw/zinc/24/46/62/546244662.db2.gz NXYVKBVHISDDHI-HNNXBMFYSA-N 1 2 350.484 2.377 20 30 FEEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](OCCO)C1 ZINC000172294658 546244668 /nfs/dbraw/zinc/24/46/68/546244668.db2.gz NXYVKBVHISDDHI-HNNXBMFYSA-N 1 2 350.484 2.377 20 30 FEEDLO N#CCCn1ccc(NC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)n1 ZINC000173362441 546279792 /nfs/dbraw/zinc/27/97/92/546279792.db2.gz ZCDDJFLZBVYICQ-UHFFFAOYSA-N 1 2 353.361 2.443 20 30 FEEDLO CC(C)(C#N)CCC[NH+]1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000174808137 546303801 /nfs/dbraw/zinc/30/38/01/546303801.db2.gz NHIZBKNLAVBERZ-UHFFFAOYSA-N 1 2 353.463 2.462 20 30 FEEDLO Cc1nc(CON=C(N)c2cccc(C[NH+]3CCOCC3)c2)sc1C ZINC000176124284 546410326 /nfs/dbraw/zinc/41/03/26/546410326.db2.gz UMIBZRWVRKTONZ-UHFFFAOYSA-N 1 2 360.483 2.429 20 30 FEEDLO CCCNC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2sc(C)c(C)c2C#N)C1 ZINC000177270674 546583187 /nfs/dbraw/zinc/58/31/87/546583187.db2.gz WQUQGAWVTFFJCE-CQSZACIVSA-N 1 2 362.499 2.413 20 30 FEEDLO CCCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2sc(C)c(C)c2C#N)C1 ZINC000177270674 546583192 /nfs/dbraw/zinc/58/31/92/546583192.db2.gz WQUQGAWVTFFJCE-CQSZACIVSA-N 1 2 362.499 2.413 20 30 FEEDLO C=CCC[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000178029811 546726462 /nfs/dbraw/zinc/72/64/62/546726462.db2.gz FTGMGEXXGBBGIZ-GFCCVEGCSA-N 1 2 364.920 2.035 20 30 FEEDLO COc1ccc(C[N@@H+]2CCc3c(cccc3NS(C)(=O)=O)C2)cc1C#N ZINC000179202950 546914040 /nfs/dbraw/zinc/91/40/40/546914040.db2.gz ZWJOAAVGXDWYOV-UHFFFAOYSA-N 1 2 371.462 2.497 20 30 FEEDLO COc1ccc(C[N@H+]2CCc3c(cccc3NS(C)(=O)=O)C2)cc1C#N ZINC000179202950 546914043 /nfs/dbraw/zinc/91/40/43/546914043.db2.gz ZWJOAAVGXDWYOV-UHFFFAOYSA-N 1 2 371.462 2.497 20 30 FEEDLO C=CCc1cc(C[NH+]2CCN(C(=O)c3cccnc3)CC2)cc(OC)c1O ZINC000179492787 546964336 /nfs/dbraw/zinc/96/43/36/546964336.db2.gz SDTMHVTVOZHFOF-UHFFFAOYSA-N 1 2 367.449 2.482 20 30 FEEDLO CC[N@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)[C@@H](C)CS(C)(=O)=O ZINC000180153723 547058334 /nfs/dbraw/zinc/05/83/34/547058334.db2.gz PEFRWKSPZOVOQM-AWEZNQCLSA-N 1 2 360.483 2.214 20 30 FEEDLO CC[N@@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)[C@@H](C)CS(C)(=O)=O ZINC000180153723 547058337 /nfs/dbraw/zinc/05/83/37/547058337.db2.gz PEFRWKSPZOVOQM-AWEZNQCLSA-N 1 2 360.483 2.214 20 30 FEEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+](C)Cc2ccc(F)c(F)c2)CC1 ZINC000180538231 547126261 /nfs/dbraw/zinc/12/62/61/547126261.db2.gz KLGXKPDXJKYEGC-SFHVURJKSA-N 1 2 364.440 2.089 20 30 FEEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+](C)Cc2ccc(F)c(F)c2)CC1 ZINC000180538231 547126266 /nfs/dbraw/zinc/12/62/66/547126266.db2.gz KLGXKPDXJKYEGC-SFHVURJKSA-N 1 2 364.440 2.089 20 30 FEEDLO C=C(C)C[NH+]1CCC(NC(=O)C2=NN(c3ccc(OC)cc3)CC2=O)CC1 ZINC000181048812 547238862 /nfs/dbraw/zinc/23/88/62/547238862.db2.gz SCYDQDYZKGRZNA-UHFFFAOYSA-N 1 2 370.453 2.357 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(c3cccnn3)CC2)c(Br)c1 ZINC000181057705 547239883 /nfs/dbraw/zinc/23/98/83/547239883.db2.gz IGHUUYBPPVAVDX-UHFFFAOYSA-N 1 2 358.243 2.433 20 30 FEEDLO N#CC1(c2ccc(C(=O)NC[C@@]3([NH+]4CCOCC4)CCSC3)cc2)CC1 ZINC000181470610 547319595 /nfs/dbraw/zinc/31/95/95/547319595.db2.gz ANYMRHRRAAHRGF-FQEVSTJZSA-N 1 2 371.506 2.179 20 30 FEEDLO N#CC1(c2ccc(C(=O)NCc3ccc[nH+]c3N3CCOCC3)cc2)CC1 ZINC000182757807 547547752 /nfs/dbraw/zinc/54/77/52/547547752.db2.gz UIBATOYHMOXJOK-UHFFFAOYSA-N 1 2 362.433 2.403 20 30 FEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCCN(c2ccccn2)CC1 ZINC000183841998 547728680 /nfs/dbraw/zinc/72/86/80/547728680.db2.gz RBQCGSDBVPISEP-IBGZPJMESA-N 1 2 350.422 2.380 20 30 FEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCCN(c2ccccn2)CC1 ZINC000183841998 547728685 /nfs/dbraw/zinc/72/86/85/547728685.db2.gz RBQCGSDBVPISEP-IBGZPJMESA-N 1 2 350.422 2.380 20 30 FEEDLO N#CCCn1ccc(NC(=O)Nc2ccccc2C[NH+]2CCOCC2)n1 ZINC000186568986 548153163 /nfs/dbraw/zinc/15/31/63/548153163.db2.gz FZIFDRLAWOUYEB-UHFFFAOYSA-N 1 2 354.414 2.273 20 30 FEEDLO C[C@H]1CC[N@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)[C@H](C(N)=O)C1 ZINC000187436059 548256840 /nfs/dbraw/zinc/25/68/40/548256840.db2.gz RHQDMAFMNZPANL-BBRMVZONSA-N 1 2 362.861 2.172 20 30 FEEDLO C[C@H]1CC[N@@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)[C@H](C(N)=O)C1 ZINC000187436059 548256846 /nfs/dbraw/zinc/25/68/46/548256846.db2.gz RHQDMAFMNZPANL-BBRMVZONSA-N 1 2 362.861 2.172 20 30 FEEDLO C=C[C@](C)(CCOC)C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000188100027 548271696 /nfs/dbraw/zinc/27/16/96/548271696.db2.gz RNQPAOOHYVVCCA-OAQYLSRUSA-N 1 2 373.497 2.435 20 30 FEEDLO C[C@H]1CCC[C@@H](NC(=O)C[NH+]2CCN(CC#Cc3ccccc3)CC2)C1 ZINC000192103092 548358419 /nfs/dbraw/zinc/35/84/19/548358419.db2.gz IJDGRYUSPJZRSI-PZJWPPBQSA-N 1 2 353.510 2.351 20 30 FEEDLO C[C@H]1CCC[C@@H](NC(=O)CN2CC[NH+](CC#Cc3ccccc3)CC2)C1 ZINC000192103092 548358427 /nfs/dbraw/zinc/35/84/27/548358427.db2.gz IJDGRYUSPJZRSI-PZJWPPBQSA-N 1 2 353.510 2.351 20 30 FEEDLO Cc1[nH+]c2ccccc2n1CCNC(=O)C(=O)Nc1cc(C#N)ccc1C ZINC000195213067 548597716 /nfs/dbraw/zinc/59/77/16/548597716.db2.gz UOWYOROHJCSRBF-UHFFFAOYSA-N 1 2 361.405 2.280 20 30 FEEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000195302775 548617459 /nfs/dbraw/zinc/61/74/59/548617459.db2.gz MKHOTDNPZIOCLX-CEXWTWQISA-N 1 2 372.513 2.363 20 30 FEEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000195302775 548617465 /nfs/dbraw/zinc/61/74/65/548617465.db2.gz MKHOTDNPZIOCLX-CEXWTWQISA-N 1 2 372.513 2.363 20 30 FEEDLO C[N@@H+]1CCO[C@@H]([C@@H](NC(=O)CSCC#N)c2ccc(Cl)cc2)C1 ZINC000245793244 548995882 /nfs/dbraw/zinc/99/58/82/548995882.db2.gz XRICCCCEOKQTMV-ZBFHGGJFSA-N 1 2 353.875 2.085 20 30 FEEDLO C[N@H+]1CCO[C@@H]([C@@H](NC(=O)CSCC#N)c2ccc(Cl)cc2)C1 ZINC000245793244 548995885 /nfs/dbraw/zinc/99/58/85/548995885.db2.gz XRICCCCEOKQTMV-ZBFHGGJFSA-N 1 2 353.875 2.085 20 30 FEEDLO C[N@@H+]1CCO[C@H]([C@@H](NC(=O)c2c[nH]c(C#N)c2)c2ccc(Cl)cc2)C1 ZINC000245930915 549022415 /nfs/dbraw/zinc/02/24/15/549022415.db2.gz VDKLHRHUFHHWSV-IRXDYDNUSA-N 1 2 358.829 2.341 20 30 FEEDLO C[N@H+]1CCO[C@H]([C@@H](NC(=O)c2c[nH]c(C#N)c2)c2ccc(Cl)cc2)C1 ZINC000245930915 549022420 /nfs/dbraw/zinc/02/24/20/549022420.db2.gz VDKLHRHUFHHWSV-IRXDYDNUSA-N 1 2 358.829 2.341 20 30 FEEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+](C)C[C@@H](O)C(F)(F)F ZINC000245966441 549029014 /nfs/dbraw/zinc/02/90/14/549029014.db2.gz DYZDSXAJYTVMSN-SMDDNHRTSA-N 1 2 361.339 2.316 20 30 FEEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+](C)C[C@@H](O)C(F)(F)F ZINC000245966441 549029018 /nfs/dbraw/zinc/02/90/18/549029018.db2.gz DYZDSXAJYTVMSN-SMDDNHRTSA-N 1 2 361.339 2.316 20 30 FEEDLO CO[C@@H]1CC[C@H]2OCC[N@H+](CC(=O)Nc3ccc(C#N)c(Cl)c3)[C@H]2C1 ZINC000246074453 549046950 /nfs/dbraw/zinc/04/69/50/549046950.db2.gz BTYHBOFAJIFRTF-HYVNUMGLSA-N 1 2 363.845 2.418 20 30 FEEDLO CO[C@@H]1CC[C@H]2OCC[N@@H+](CC(=O)Nc3ccc(C#N)c(Cl)c3)[C@H]2C1 ZINC000246074453 549046952 /nfs/dbraw/zinc/04/69/52/549046952.db2.gz BTYHBOFAJIFRTF-HYVNUMGLSA-N 1 2 363.845 2.418 20 30 FEEDLO CN(CC(=O)Nc1ccc(C#N)cc1)Cc1[nH+]ccn1CC(F)(F)F ZINC000488342673 561388378 /nfs/dbraw/zinc/38/83/78/561388378.db2.gz HPHFYOPRJRYBSI-UHFFFAOYSA-N 1 2 351.332 2.388 20 30 FEEDLO COc1cccc([C@H]2C[N@H+](C[C@@H](O)COc3ccc(C#N)cc3)CCO2)c1 ZINC000247269549 549310006 /nfs/dbraw/zinc/31/00/06/549310006.db2.gz ZWFHJMSCFREDNZ-WIYYLYMNSA-N 1 2 368.433 2.380 20 30 FEEDLO COc1cccc([C@H]2C[N@@H+](C[C@@H](O)COc3ccc(C#N)cc3)CCO2)c1 ZINC000247269549 549310010 /nfs/dbraw/zinc/31/00/10/549310010.db2.gz ZWFHJMSCFREDNZ-WIYYLYMNSA-N 1 2 368.433 2.380 20 30 FEEDLO C=CCNc1ncc(C(=O)N2CCC[C@@H]2C[NH+]2C[C@H](C)O[C@@H](C)C2)s1 ZINC000247673146 549371707 /nfs/dbraw/zinc/37/17/07/549371707.db2.gz YUPSTXQJOMZUDR-SOUVJXGZSA-N 1 2 364.515 2.455 20 30 FEEDLO Cn1cnnc1[C@@H]1CCC[N@@H+]1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000248782502 549501694 /nfs/dbraw/zinc/50/16/94/549501694.db2.gz VOZDQZBKKNGPBN-IRXDYDNUSA-N 1 2 350.426 2.019 20 30 FEEDLO Cn1cnnc1[C@@H]1CCC[N@H+]1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000248782502 549501696 /nfs/dbraw/zinc/50/16/96/549501696.db2.gz VOZDQZBKKNGPBN-IRXDYDNUSA-N 1 2 350.426 2.019 20 30 FEEDLO COc1ccccc1[C@@H]1C[NH2+]CCN1S(=O)(=O)Cc1cccc(C#N)c1 ZINC000261824149 549759842 /nfs/dbraw/zinc/75/98/42/549759842.db2.gz YCAYJPBKGBRVSY-SFHVURJKSA-N 1 2 371.462 2.043 20 30 FEEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1ccccc1SCCC#N ZINC000264531880 549997303 /nfs/dbraw/zinc/99/73/03/549997303.db2.gz KHHXKCHWRQVWFU-CYBMUJFWSA-N 1 2 357.439 2.032 20 30 FEEDLO COc1ccc(OC)c(NC(=O)[C@@H](C)O[NH+]=C(N)[C@@H](C)OCC(C)C)c1 ZINC000266209788 550018533 /nfs/dbraw/zinc/01/85/33/550018533.db2.gz NRVFVSYDVQSIRS-CHWSQXEVSA-N 1 2 367.446 2.381 20 30 FEEDLO CC1(C)Oc2ccc(NC(=O)N(CCC#N)CC[NH+]3CCOCC3)cc2O1 ZINC000266979585 550025735 /nfs/dbraw/zinc/02/57/35/550025735.db2.gz SHYRIGORCFQHNK-UHFFFAOYSA-N 1 2 374.441 2.274 20 30 FEEDLO C=CCN(CC=C)C(=O)C[NH2+][C@](C)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000267407690 550030908 /nfs/dbraw/zinc/03/09/08/550030908.db2.gz SGCSLMLOSLTSLT-KRWDZBQOSA-N 1 2 369.387 2.196 20 30 FEEDLO COC(=O)c1cc(/C=C/C(=O)c2ccc(O)c(C[NH+]3CCOCC3)c2)c[nH]1 ZINC000267732393 550034274 /nfs/dbraw/zinc/03/42/74/550034274.db2.gz DDNHIGWWFWDYLA-DUXPYHPUSA-N 1 2 370.405 2.235 20 30 FEEDLO Cc1cc(C)n(Cc2cccc(C(N)=[NH+]OCCC3OCCCO3)c2)n1 ZINC000267913670 550035232 /nfs/dbraw/zinc/03/52/32/550035232.db2.gz NAKJSDDIIQRBHJ-UHFFFAOYSA-N 1 2 358.442 2.338 20 30 FEEDLO C=CC[N@@H+](CCc1ccco1)CC(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O ZINC000491298810 561444463 /nfs/dbraw/zinc/44/44/63/561444463.db2.gz XULZIZQIRPFWOH-UHFFFAOYSA-N 1 2 367.405 2.175 20 30 FEEDLO C=CC[N@H+](CCc1ccco1)CC(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O ZINC000491298810 561444464 /nfs/dbraw/zinc/44/44/64/561444464.db2.gz XULZIZQIRPFWOH-UHFFFAOYSA-N 1 2 367.405 2.175 20 30 FEEDLO CSC[C@H]1CCC[N@@H+]1CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000268952849 550135678 /nfs/dbraw/zinc/13/56/78/550135678.db2.gz FAZVUYHVCSHEFF-OCCSQVGLSA-N 1 2 356.451 2.339 20 30 FEEDLO CSC[C@H]1CCC[N@H+]1CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000268952849 550135681 /nfs/dbraw/zinc/13/56/81/550135681.db2.gz FAZVUYHVCSHEFF-OCCSQVGLSA-N 1 2 356.451 2.339 20 30 FEEDLO Cc1c(C[NH+]2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cnn1C ZINC000268956770 550136846 /nfs/dbraw/zinc/13/68/46/550136846.db2.gz YNYDMDPXHCVVAX-UHFFFAOYSA-N 1 2 352.398 2.170 20 30 FEEDLO N#Cc1ccc(NC(=O)C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c(Cl)c1 ZINC000269069267 550151463 /nfs/dbraw/zinc/15/14/63/550151463.db2.gz DVUUNVGOGDMAFE-UHFFFAOYSA-N 1 2 357.801 2.279 20 30 FEEDLO C[C@H]1CN(c2ccc(CNC(=O)c3ccc(CC#N)cc3)c[nH+]2)CCO1 ZINC000270281840 550258855 /nfs/dbraw/zinc/25/88/55/550258855.db2.gz UPTWHSSBJIISIR-HNNXBMFYSA-N 1 2 350.422 2.303 20 30 FEEDLO Cc1cc(NC(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)nn1CCC#N ZINC000272101967 550422754 /nfs/dbraw/zinc/42/27/54/550422754.db2.gz OWOZZLAKRPMBKJ-INIZCTEOSA-N 1 2 367.457 2.411 20 30 FEEDLO C[C@@H](C(=O)N(C)CCC#N)N1CCc2c([nH+]cn2-c2ccc(F)cc2)C1 ZINC000272716990 550466469 /nfs/dbraw/zinc/46/64/69/550466469.db2.gz IKZRVJUGAQUREN-AWEZNQCLSA-N 1 2 355.417 2.130 20 30 FEEDLO C=CCS(=O)(=O)CC[NH2+]Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000272781452 550470701 /nfs/dbraw/zinc/47/07/01/550470701.db2.gz ALSRABQQXJXFAN-UHFFFAOYSA-N 1 2 366.464 2.229 20 30 FEEDLO CN(C(=O)C[NH2+][C@H](CO)c1c(F)cccc1F)C1(C#N)CCCCC1 ZINC000273101237 550485310 /nfs/dbraw/zinc/48/53/10/550485310.db2.gz MAIKYNNVSRRRQF-OAHLLOKOSA-N 1 2 351.397 2.273 20 30 FEEDLO Cc1cnc2c(cccc2S(=O)(=O)N2CCC(C#N)([NH+](C)C)CC2)c1 ZINC000274729860 550550948 /nfs/dbraw/zinc/55/09/48/550550948.db2.gz QDQLVLPPXMBNRZ-UHFFFAOYSA-N 1 2 358.467 2.152 20 30 FEEDLO C#CCn1ccc(CN(CC)C(=O)[C@@H](C(CC)CC)[NH+]2CCOCC2)n1 ZINC000279107975 550855056 /nfs/dbraw/zinc/85/50/56/550855056.db2.gz KJTSILKMHXKALT-LJQANCHMSA-N 1 2 360.502 2.002 20 30 FEEDLO CC(C)OCC[NH+]1CCN(C(=O)c2cc(-c3cccc(C#N)c3)no2)CC1 ZINC000279139571 550858135 /nfs/dbraw/zinc/85/81/35/550858135.db2.gz XZGDPHQFWMQQTE-UHFFFAOYSA-N 1 2 368.437 2.396 20 30 FEEDLO CC(C)C[C@@H]1C(=O)NCC[N@H+]1Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000279485606 550895578 /nfs/dbraw/zinc/89/55/78/550895578.db2.gz XLDUUHASPCKWAZ-GOSISDBHSA-N 1 2 366.469 2.205 20 30 FEEDLO CC(C)C[C@@H]1C(=O)NCC[N@@H+]1Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000279485606 550895579 /nfs/dbraw/zinc/89/55/79/550895579.db2.gz XLDUUHASPCKWAZ-GOSISDBHSA-N 1 2 366.469 2.205 20 30 FEEDLO Cc1sc(NC(=O)C[N@H+](C)CCN2CCOC(C)(C)C2)c(C#N)c1C ZINC000279721733 550921322 /nfs/dbraw/zinc/92/13/22/550921322.db2.gz LVBBMRJGHJOTBA-UHFFFAOYSA-N 1 2 364.515 2.218 20 30 FEEDLO Cc1sc(NC(=O)C[N@@H+](C)CCN2CCOC(C)(C)C2)c(C#N)c1C ZINC000279721733 550921323 /nfs/dbraw/zinc/92/13/23/550921323.db2.gz LVBBMRJGHJOTBA-UHFFFAOYSA-N 1 2 364.515 2.218 20 30 FEEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCO[C@]3(CCO[C@H]3C)C2)c1C ZINC000280212167 550971740 /nfs/dbraw/zinc/97/17/40/550971740.db2.gz AEFKREUWYBXKHR-GHTZIAJQSA-N 1 2 371.481 2.430 20 30 FEEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCO[C@]3(CCO[C@H]3C)C2)c1C ZINC000280212167 550971742 /nfs/dbraw/zinc/97/17/42/550971742.db2.gz AEFKREUWYBXKHR-GHTZIAJQSA-N 1 2 371.481 2.430 20 30 FEEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)C(=O)Nc1ccc(C#N)cc1 ZINC000280552904 551006899 /nfs/dbraw/zinc/00/68/99/551006899.db2.gz IYGLQTUZIMCTNJ-INIZCTEOSA-N 1 2 351.410 2.467 20 30 FEEDLO C=CCN1CC[C@H](N(C)C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)C1=O ZINC000281249195 551078115 /nfs/dbraw/zinc/07/81/15/551078115.db2.gz DLGXQMVXWIKBSA-INIZCTEOSA-N 1 2 353.426 2.338 20 30 FEEDLO C=CCN1CC[C@H]([N@H+](C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1=O ZINC000281486802 551103718 /nfs/dbraw/zinc/10/37/18/551103718.db2.gz XATFGFPLQSLZIG-INIZCTEOSA-N 1 2 356.382 2.469 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1=O ZINC000281486802 551103720 /nfs/dbraw/zinc/10/37/20/551103720.db2.gz XATFGFPLQSLZIG-INIZCTEOSA-N 1 2 356.382 2.469 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC000281590789 551117362 /nfs/dbraw/zinc/11/73/62/551117362.db2.gz QLSBDDVXRCXQOC-RDJZCZTQSA-N 1 2 364.515 2.260 20 30 FEEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000281848590 551147844 /nfs/dbraw/zinc/14/78/44/551147844.db2.gz RTLPZGRXVVLFBJ-NVXWUHKLSA-N 1 2 364.515 2.342 20 30 FEEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000281848590 551147848 /nfs/dbraw/zinc/14/78/48/551147848.db2.gz RTLPZGRXVVLFBJ-NVXWUHKLSA-N 1 2 364.515 2.342 20 30 FEEDLO Cn1c2c([nH+]c1[C@H]1CCCN1S(=O)(=O)c1cccnc1C#N)CCCC2 ZINC000282252412 551201882 /nfs/dbraw/zinc/20/18/82/551201882.db2.gz JBZNSDOXDWVYTE-MRXNPFEDSA-N 1 2 371.466 2.091 20 30 FEEDLO Cn1c2c([nH+]c1[C@@H]1CCCN1S(=O)(=O)c1cccnc1C#N)CCCC2 ZINC000282252407 551201917 /nfs/dbraw/zinc/20/19/17/551201917.db2.gz JBZNSDOXDWVYTE-INIZCTEOSA-N 1 2 371.466 2.091 20 30 FEEDLO COCCCn1nccc1C[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000282710859 551262517 /nfs/dbraw/zinc/26/25/17/551262517.db2.gz BDHFWUFAVPTZID-HXUWFJFHSA-N 1 2 353.470 2.302 20 30 FEEDLO CS(=O)(=O)[C@H]1CC[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000282762618 551267721 /nfs/dbraw/zinc/26/77/21/551267721.db2.gz OWQFYVUQOVCHLQ-KRWDZBQOSA-N 1 2 358.467 2.083 20 30 FEEDLO CS(=O)(=O)[C@H]1CC[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000282762618 551267723 /nfs/dbraw/zinc/26/77/23/551267723.db2.gz OWQFYVUQOVCHLQ-KRWDZBQOSA-N 1 2 358.467 2.083 20 30 FEEDLO COC(=O)[C@H]1C[N@H+](Cc2ccc(OC)c(OCCCC#N)c2)C[C@@H](C)O1 ZINC000282971408 551291338 /nfs/dbraw/zinc/29/13/38/551291338.db2.gz IPOGNGKNBRMXBD-RDTXWAMCSA-N 1 2 362.426 2.140 20 30 FEEDLO COC(=O)[C@H]1C[N@@H+](Cc2ccc(OC)c(OCCCC#N)c2)C[C@@H](C)O1 ZINC000282971408 551291339 /nfs/dbraw/zinc/29/13/39/551291339.db2.gz IPOGNGKNBRMXBD-RDTXWAMCSA-N 1 2 362.426 2.140 20 30 FEEDLO N#Cc1ccc(C(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)nc1Cl ZINC000283197535 551327393 /nfs/dbraw/zinc/32/73/93/551327393.db2.gz YBXWLCYGIRKLFF-QGZVFWFLSA-N 1 2 370.840 2.410 20 30 FEEDLO C=C(C)Cn1c(C)nnc1N1CC[NH+](Cc2cnn(C(C)(C)C)c2)CC1 ZINC000283232070 551333077 /nfs/dbraw/zinc/33/30/77/551333077.db2.gz KCTWDKLUJJPJGN-UHFFFAOYSA-N 1 2 357.506 2.436 20 30 FEEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C)CC1 ZINC000283787494 551427319 /nfs/dbraw/zinc/42/73/19/551427319.db2.gz LWWBIIDTEULTTM-UHFFFAOYSA-N 1 2 369.469 2.033 20 30 FEEDLO N#CC1(C(=O)NCC[NH+]2CCN(C(=O)C3CCCCC3)CC2)CCCCC1 ZINC000498019654 561514017 /nfs/dbraw/zinc/51/40/17/561514017.db2.gz YKHMJJPOIRVUEA-UHFFFAOYSA-N 1 2 374.529 2.301 20 30 FEEDLO COC(=O)c1ccc(C[N@@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)nc1 ZINC000285342827 551740983 /nfs/dbraw/zinc/74/09/83/551740983.db2.gz YNOXDEWZCWOHIM-UHFFFAOYSA-N 1 2 364.449 2.448 20 30 FEEDLO COC(=O)c1ccc(C[N@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)nc1 ZINC000285342827 551740985 /nfs/dbraw/zinc/74/09/85/551740985.db2.gz YNOXDEWZCWOHIM-UHFFFAOYSA-N 1 2 364.449 2.448 20 30 FEEDLO N#Cc1ccc(Cl)c(C(=O)NCc2ccc[nH+]c2N2CCOCC2)c1 ZINC000285428513 551755063 /nfs/dbraw/zinc/75/50/63/551755063.db2.gz LLJKAHNMTYSDNF-UHFFFAOYSA-N 1 2 356.813 2.373 20 30 FEEDLO Cc1cccc(C)c1OCCC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000499341437 561549316 /nfs/dbraw/zinc/54/93/16/561549316.db2.gz FZMVUPPIQCBLSG-UHFFFAOYSA-N 1 2 359.470 2.147 20 30 FEEDLO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000499681380 561555949 /nfs/dbraw/zinc/55/59/49/561555949.db2.gz JTVATMUSEACCPZ-IBGZPJMESA-N 1 2 367.453 2.029 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Cn3ncc4ccccc43)CC2)cc1 ZINC000499736288 561557353 /nfs/dbraw/zinc/55/73/53/561557353.db2.gz DRTTURYOPMOFML-UHFFFAOYSA-N 1 2 359.433 2.252 20 30 FEEDLO C#C[C@@H](NC(=O)C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1)C(C)(C)C ZINC000288483099 552160884 /nfs/dbraw/zinc/16/08/84/552160884.db2.gz SUANIWOSCYFGQP-CRAIPNDOSA-N 1 2 371.481 2.182 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1cccc([C@@H]2CCCOC2)c1 ZINC000499947733 561562538 /nfs/dbraw/zinc/56/25/38/561562538.db2.gz SGUOPTAGEQWXAW-HXUWFJFHSA-N 1 2 371.481 2.269 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C(=O)N2c3ccccc3CC[C@@H]2C)C1=O ZINC000500020776 561564350 /nfs/dbraw/zinc/56/43/50/561564350.db2.gz SKGIQYOROKWZHB-FCEWJHQRSA-N 1 2 355.482 2.462 20 30 FEEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)C(=O)N2c3ccccc3CC[C@@H]2C)C1=O ZINC000500020776 561564351 /nfs/dbraw/zinc/56/43/51/561564351.db2.gz SKGIQYOROKWZHB-FCEWJHQRSA-N 1 2 355.482 2.462 20 30 FEEDLO C[C@@H](c1nc(N)nc(Cl)n1)[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000289996669 552411954 /nfs/dbraw/zinc/41/19/54/552411954.db2.gz KULDQUZTBOWKFX-LBPRGKRZSA-N 1 2 357.849 2.252 20 30 FEEDLO C[C@@H](c1nc(N)nc(Cl)n1)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000289996669 552411955 /nfs/dbraw/zinc/41/19/55/552411955.db2.gz KULDQUZTBOWKFX-LBPRGKRZSA-N 1 2 357.849 2.252 20 30 FEEDLO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN(c3cccnc3C#N)C2)CC1 ZINC000291088567 552585671 /nfs/dbraw/zinc/58/56/71/552585671.db2.gz IZHVWAGBEGNKHY-HNNXBMFYSA-N 1 2 357.458 2.085 20 30 FEEDLO Cc1ccccc1-n1cc(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)nn1 ZINC000292810032 552760761 /nfs/dbraw/zinc/76/07/61/552760761.db2.gz ONCFETQRDVWKAU-GOSISDBHSA-N 1 2 360.421 2.496 20 30 FEEDLO Cc1ccccc1-n1cc(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)nn1 ZINC000292810032 552760763 /nfs/dbraw/zinc/76/07/63/552760763.db2.gz ONCFETQRDVWKAU-GOSISDBHSA-N 1 2 360.421 2.496 20 30 FEEDLO COC(=O)N1CCN(c2ccc(NCc3ccc(C#N)cc3)c[nH+]2)CC1 ZINC000293021135 552781248 /nfs/dbraw/zinc/78/12/48/552781248.db2.gz OVGIXMJWMWJJLT-UHFFFAOYSA-N 1 2 351.410 2.454 20 30 FEEDLO C=CCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000295919053 553075788 /nfs/dbraw/zinc/07/57/88/553075788.db2.gz JSMCWNRNYOJXMC-INIZCTEOSA-N 1 2 354.458 2.427 20 30 FEEDLO C[N@@H+]1CCO[C@H]([C@H](NC(=O)c2cc(C#N)ccn2)c2ccc(Cl)cc2)C1 ZINC000502861985 561628092 /nfs/dbraw/zinc/62/80/92/561628092.db2.gz NNZWCBPWBKTXGA-ZWKOTPCHSA-N 1 2 370.840 2.408 20 30 FEEDLO C[N@H+]1CCO[C@H]([C@H](NC(=O)c2cc(C#N)ccn2)c2ccc(Cl)cc2)C1 ZINC000502861985 561628093 /nfs/dbraw/zinc/62/80/93/561628093.db2.gz NNZWCBPWBKTXGA-ZWKOTPCHSA-N 1 2 370.840 2.408 20 30 FEEDLO C[C@@H](CCC#N)[NH+]1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000297854693 553347889 /nfs/dbraw/zinc/34/78/89/553347889.db2.gz LOADPMKGIWTANJ-LBPRGKRZSA-N 1 2 359.854 2.478 20 30 FEEDLO Cc1csc(N2CC[NH+]([C@H](C)C(=O)NC3(C#N)CCCCC3)CC2)n1 ZINC000298591613 553445625 /nfs/dbraw/zinc/44/56/25/553445625.db2.gz UIXNEBAVUDZEGB-OAHLLOKOSA-N 1 2 361.515 2.305 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)NCc2cc[nH+]c(N3CCCCC3)c2)cc1 ZINC000298791861 553473846 /nfs/dbraw/zinc/47/38/46/553473846.db2.gz CSVAZUZQFLMOKS-UHFFFAOYSA-N 1 2 356.451 2.422 20 30 FEEDLO COc1ccc(CCCC(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1 ZINC000299524216 553575490 /nfs/dbraw/zinc/57/54/90/553575490.db2.gz MEWHXLYMERONGO-UHFFFAOYSA-N 1 2 359.470 2.092 20 30 FEEDLO CCc1nnc(N2CC[NH+](Cc3c(C)noc3C)CC2)c(C#N)c1CC ZINC000301615838 553666056 /nfs/dbraw/zinc/66/60/56/553666056.db2.gz JIRKYYQIEJJQLE-UHFFFAOYSA-N 1 2 354.458 2.400 20 30 FEEDLO C[C@@H]1CN(c2ccc(CNc3nccc(C#N)c3[N+](=O)[O-])c[nH+]2)C[C@@H](C)O1 ZINC000301641944 553667617 /nfs/dbraw/zinc/66/76/17/553667617.db2.gz MPRVFLVGLBNPRG-CHWSQXEVSA-N 1 2 368.397 2.482 20 30 FEEDLO Cc1cc([N@H+]2CCCC[C@H]2C)ccc1Nc1c(C#N)c(=O)n(C)c(=O)n1C ZINC000301663540 553669683 /nfs/dbraw/zinc/66/96/83/553669683.db2.gz YSUYHEFQRNPBOE-CQSZACIVSA-N 1 2 367.453 2.387 20 30 FEEDLO Cc1cc([N@@H+]2CCCC[C@H]2C)ccc1Nc1c(C#N)c(=O)n(C)c(=O)n1C ZINC000301663540 553669684 /nfs/dbraw/zinc/66/96/84/553669684.db2.gz YSUYHEFQRNPBOE-CQSZACIVSA-N 1 2 367.453 2.387 20 30 FEEDLO N#Cc1ccc2nc(N3CC[NH+](CC(=O)N4CCCCC4)CC3)ccc2c1 ZINC000301808331 553681559 /nfs/dbraw/zinc/68/15/59/553681559.db2.gz GCYFVEAUEFYZGF-UHFFFAOYSA-N 1 2 363.465 2.241 20 30 FEEDLO COc1ccccc1[C@@H]1CN(C(=O)CNc2cccc(C#N)c2)CC[NH2+]1 ZINC000505559064 561674001 /nfs/dbraw/zinc/67/40/01/561674001.db2.gz TURDRWKIZWPXJG-SFHVURJKSA-N 1 2 350.422 2.152 20 30 FEEDLO N#Cc1cccc(-c2cc(C(=O)N3CC[NH2+][C@H](c4ccncc4)C3)on2)c1 ZINC000505686218 561677585 /nfs/dbraw/zinc/67/75/85/561677585.db2.gz MGKXUSWAPGXBFV-SFHVURJKSA-N 1 2 359.389 2.395 20 30 FEEDLO C[C@H](N1CCN(C(=O)NC[C@@H]2CCCn3cc[nH+]c32)CC1)C(F)(F)F ZINC000328608960 553795746 /nfs/dbraw/zinc/79/57/46/553795746.db2.gz MHCHQQSLBCRSOX-STQMWFEESA-N 1 2 359.396 2.243 20 30 FEEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CCC[C@@H](C(=O)N3CCCC3)C1)CCC2 ZINC000328655276 553803217 /nfs/dbraw/zinc/80/32/17/553803217.db2.gz MQWNIPKUBVIRIT-DLBZAZTESA-N 1 2 373.501 2.317 20 30 FEEDLO O=C(CN1CCn2cc[nH+]c2C1)NCC1(c2ccccc2)CCOCC1 ZINC000328660171 553803625 /nfs/dbraw/zinc/80/36/25/553803625.db2.gz UXNVYOYDSGGTSQ-UHFFFAOYSA-N 1 2 354.454 2.404 20 30 FEEDLO C[C@H](C(=O)N1CCCCC1)[N@@H+]1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000328700761 553809250 /nfs/dbraw/zinc/80/92/50/553809250.db2.gz WHOUCRSKIILYEP-SXGZJXTBSA-N 1 2 352.438 2.382 20 30 FEEDLO C[C@H](C(=O)N1CCCCC1)[N@H+]1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000328700761 553809255 /nfs/dbraw/zinc/80/92/55/553809255.db2.gz WHOUCRSKIILYEP-SXGZJXTBSA-N 1 2 352.438 2.382 20 30 FEEDLO CC[C@@H](C(=O)Nc1ccc(N2CCOCC2)cn1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000328755945 553816999 /nfs/dbraw/zinc/81/69/99/553816999.db2.gz FOWJJWAMGIWYMM-IRXDYDNUSA-N 1 2 362.474 2.396 20 30 FEEDLO CC[C@@H](C(=O)Nc1ccc(N2CCOCC2)cn1)[N@H+]1CCO[C@@H](CC)C1 ZINC000328755945 553817001 /nfs/dbraw/zinc/81/70/01/553817001.db2.gz FOWJJWAMGIWYMM-IRXDYDNUSA-N 1 2 362.474 2.396 20 30 FEEDLO CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)NC[C@@H](C)[NH+]1CCN(C)CC1 ZINC000328782059 553821191 /nfs/dbraw/zinc/82/11/91/553821191.db2.gz NAMJSTAEOQMWIC-UZLBHIALSA-N 1 2 372.513 2.115 20 30 FEEDLO CC[C@H](C(=O)N[C@@H]1CCO[C@H](c2cncn2C)C1)[N@@H+]1CCO[C@H](CC)C1 ZINC000328790333 553822984 /nfs/dbraw/zinc/82/29/84/553822984.db2.gz QFYODXHNCCVGKG-KONPQCLYSA-N 1 2 364.490 2.486 20 30 FEEDLO CC[C@H](C(=O)N[C@@H]1CCO[C@H](c2cncn2C)C1)[N@H+]1CCO[C@H](CC)C1 ZINC000328790333 553822985 /nfs/dbraw/zinc/82/29/85/553822985.db2.gz QFYODXHNCCVGKG-KONPQCLYSA-N 1 2 364.490 2.486 20 30 FEEDLO O=C(N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCSCC1)C1CCCCC1 ZINC000328795503 553823624 /nfs/dbraw/zinc/82/36/24/553823624.db2.gz UDDDRADZDXHXEZ-HNNXBMFYSA-N 1 2 350.488 2.433 20 30 FEEDLO O=C(N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCSCC1)C1CCCCC1 ZINC000328795503 553823627 /nfs/dbraw/zinc/82/36/27/553823627.db2.gz UDDDRADZDXHXEZ-HNNXBMFYSA-N 1 2 350.488 2.433 20 30 FEEDLO N#C[C@@H]1CC[C@H](N2CC[NH+]([C@@H]3CCCN(Cc4ccccc4)C3=O)CC2)C1 ZINC000328873204 553836504 /nfs/dbraw/zinc/83/65/04/553836504.db2.gz YUDPSIPBEGKCQV-QHAWAJNXSA-N 1 2 366.509 2.487 20 30 FEEDLO Cn1cc[nH+]c1[C@H]1CCN(S(=O)(=O)c2cccc(C(=O)NC3CC3)c2)C1 ZINC000328876651 553837449 /nfs/dbraw/zinc/83/74/49/553837449.db2.gz SQIRXAWJIVVTOO-AWEZNQCLSA-N 1 2 374.466 2.065 20 30 FEEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)NCc3cccnc3OC3CCCC3)C[C@H]21 ZINC000328886149 553838566 /nfs/dbraw/zinc/83/85/66/553838566.db2.gz OSTVJNXUNVAVPY-QZTJIDSGSA-N 1 2 374.485 2.222 20 30 FEEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)NCc3cccnc3OC3CCCC3)C[C@H]21 ZINC000328886149 553838567 /nfs/dbraw/zinc/83/85/67/553838567.db2.gz OSTVJNXUNVAVPY-QZTJIDSGSA-N 1 2 374.485 2.222 20 30 FEEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)N[C@@H]3CCOc4c(Cl)cccc43)C[C@H]21 ZINC000328892434 553839719 /nfs/dbraw/zinc/83/97/19/553839719.db2.gz TWPNQIKNEVHBOR-BZUAXINKSA-N 1 2 365.861 2.483 20 30 FEEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)N[C@@H]3CCOc4c(Cl)cccc43)C[C@H]21 ZINC000328892434 553839721 /nfs/dbraw/zinc/83/97/21/553839721.db2.gz TWPNQIKNEVHBOR-BZUAXINKSA-N 1 2 365.861 2.483 20 30 FEEDLO Cc1noc([C@@H]2C[N@@H+](CCC(=O)Nc3sccc3C#N)CCN2C)n1 ZINC000328927330 553845842 /nfs/dbraw/zinc/84/58/42/553845842.db2.gz FTAHPHNZYUXGGY-ZDUSSCGKSA-N 1 2 360.443 2.278 20 30 FEEDLO Cc1noc([C@@H]2C[N@H+](CCC(=O)Nc3sccc3C#N)CCN2C)n1 ZINC000328927330 553845844 /nfs/dbraw/zinc/84/58/44/553845844.db2.gz FTAHPHNZYUXGGY-ZDUSSCGKSA-N 1 2 360.443 2.278 20 30 FEEDLO CO[C@H]1C[C@@H](C(=O)N2CCCC2)[N@H+](CC(=O)NCC2CCCCC2)C1 ZINC000328954531 553852694 /nfs/dbraw/zinc/85/26/94/553852694.db2.gz ONDZSWQJFQPNDA-IRXDYDNUSA-N 1 2 351.491 2.235 20 30 FEEDLO CO[C@H]1C[C@@H](C(=O)N2CCCC2)[N@@H+](CC(=O)NCC2CCCCC2)C1 ZINC000328954531 553852697 /nfs/dbraw/zinc/85/26/97/553852697.db2.gz ONDZSWQJFQPNDA-IRXDYDNUSA-N 1 2 351.491 2.235 20 30 FEEDLO Cn1nccc1[C@@H]1OCC[C@H]1C[N@@H+]1CCN(Cc2ccccc2)[C@H](C#N)C1 ZINC000329006448 553863536 /nfs/dbraw/zinc/86/35/36/553863536.db2.gz XVQTWZLSRBWDOB-QKNQBKEWSA-N 1 2 365.481 2.208 20 30 FEEDLO Cn1nccc1[C@@H]1OCC[C@H]1C[N@H+]1CCN(Cc2ccccc2)[C@H](C#N)C1 ZINC000329006448 553863540 /nfs/dbraw/zinc/86/35/40/553863540.db2.gz XVQTWZLSRBWDOB-QKNQBKEWSA-N 1 2 365.481 2.208 20 30 FEEDLO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)C1=O ZINC000329027173 553866898 /nfs/dbraw/zinc/86/68/98/553866898.db2.gz KBVQGJIFOFWFIA-ZIAGYGMSSA-N 1 2 369.450 2.475 20 30 FEEDLO N#Cc1ccsc1N1CC[C@@H]([N@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)C1=O ZINC000329027173 553866899 /nfs/dbraw/zinc/86/68/99/553866899.db2.gz KBVQGJIFOFWFIA-ZIAGYGMSSA-N 1 2 369.450 2.475 20 30 FEEDLO CC[C@H](C)Oc1cc(CNC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)ccn1 ZINC000329056858 553872482 /nfs/dbraw/zinc/87/24/82/553872482.db2.gz MJVBSWXJRKGMCM-XIRDDKMYSA-N 1 2 362.474 2.078 20 30 FEEDLO CC[C@H](C)Oc1cc(CNC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)ccn1 ZINC000329056858 553872486 /nfs/dbraw/zinc/87/24/86/553872486.db2.gz MJVBSWXJRKGMCM-XIRDDKMYSA-N 1 2 362.474 2.078 20 30 FEEDLO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)N[C@@H]1CCO[C@@]3(CCOC3)C1)C2 ZINC000329118827 553883702 /nfs/dbraw/zinc/88/37/02/553883702.db2.gz OTYYDTMIXDLPTF-KUHUBIRLSA-N 1 2 362.474 2.154 20 30 FEEDLO Cc1nn(C)c(C)c1[C@@H]1COCCN1C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000329147487 553889218 /nfs/dbraw/zinc/88/92/18/553889218.db2.gz OZIGJLUVFOKKDP-INIZCTEOSA-N 1 2 372.473 2.057 20 30 FEEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])N1CCC[C@H]1Cn1ccnn1)C2 ZINC000329150158 553889677 /nfs/dbraw/zinc/88/96/77/553889677.db2.gz ZHZBVOREYDYXBN-GJZGRUSLSA-N 1 2 371.489 2.166 20 30 FEEDLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C)cc1 ZINC000329179685 553896656 /nfs/dbraw/zinc/89/66/56/553896656.db2.gz NNGNEHNOPQYQQG-INIZCTEOSA-N 1 2 362.455 2.336 20 30 FEEDLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CCC(NC(=O)CC2CCCC2)CC1 ZINC000329359892 553931582 /nfs/dbraw/zinc/93/15/82/553931582.db2.gz GQRPUHRZCQGHPS-QGZVFWFLSA-N 1 2 351.491 2.235 20 30 FEEDLO CC[N@H+]1CCOC[C@@H]1C(=O)N1CCC(NC(=O)CC2CCCC2)CC1 ZINC000329359892 553931589 /nfs/dbraw/zinc/93/15/89/553931589.db2.gz GQRPUHRZCQGHPS-QGZVFWFLSA-N 1 2 351.491 2.235 20 30 FEEDLO CCN1CCOC[C@@H]1C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000329397234 553938630 /nfs/dbraw/zinc/93/86/30/553938630.db2.gz UWFYSSKIVWCLOO-RTBURBONSA-N 1 2 361.486 2.046 20 30 FEEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)N[C@@H]3CCO[C@@H]3c3ccc(Cl)cc3)C[C@H]21 ZINC000329401308 553939364 /nfs/dbraw/zinc/93/93/64/553939364.db2.gz WDIIUGSCWGMZNU-QBPKDAKJSA-N 1 2 365.861 2.099 20 30 FEEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)N[C@@H]3CCO[C@@H]3c3ccc(Cl)cc3)C[C@H]21 ZINC000329401308 553939369 /nfs/dbraw/zinc/93/93/69/553939369.db2.gz WDIIUGSCWGMZNU-QBPKDAKJSA-N 1 2 365.861 2.099 20 30 FEEDLO CC[C@@H]1C[C@H](C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)CC(=O)N1 ZINC000329431634 553945914 /nfs/dbraw/zinc/94/59/14/553945914.db2.gz KODHHIZQCDXPSO-JJRVBVJISA-N 1 2 355.504 2.296 20 30 FEEDLO CCCC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000329457841 553950854 /nfs/dbraw/zinc/95/08/54/553950854.db2.gz QVNIMZIMLFEJRT-WBVHZDCISA-N 1 2 351.491 2.377 20 30 FEEDLO CCCC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000329457841 553950855 /nfs/dbraw/zinc/95/08/55/553950855.db2.gz QVNIMZIMLFEJRT-WBVHZDCISA-N 1 2 351.491 2.377 20 30 FEEDLO CO[C@@H]1CCN(C(=O)N[C@H](c2[nH+]ccn2C)C2CCOCC2)[C@H](C)C1 ZINC000329493399 553957283 /nfs/dbraw/zinc/95/72/83/553957283.db2.gz UHEZTSQGCOFELB-BMFZPTHFSA-N 1 2 350.463 2.301 20 30 FEEDLO C[C@@]1(CNC(=O)NCc2ccc(N3CCOCC3)[nH+]c2)CCCS1 ZINC000329853612 554018711 /nfs/dbraw/zinc/01/87/11/554018711.db2.gz VQDCDIMSKYWTLO-KRWDZBQOSA-N 1 2 350.488 2.208 20 30 FEEDLO O=C(C1CCCCC1)N1CC[C@H]([NH+]=C([O-])NC[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000329905029 554028089 /nfs/dbraw/zinc/02/80/89/554028089.db2.gz JMGMCMRBGDLPDQ-WBVHZDCISA-N 1 2 373.501 2.130 20 30 FEEDLO O=C(C1CCCCC1)N1CC[C@H](NC([O-])=[NH+]C[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000329905029 554028091 /nfs/dbraw/zinc/02/80/91/554028091.db2.gz JMGMCMRBGDLPDQ-WBVHZDCISA-N 1 2 373.501 2.130 20 30 FEEDLO C[C@@H]1CCCC[C@H]1NC(=O)NC[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000329913006 554029688 /nfs/dbraw/zinc/02/96/88/554029688.db2.gz ONEHOAKXDPJUCU-FXUDXRNXSA-N 1 2 351.470 2.415 20 30 FEEDLO Cc1nccc(C[NH+]2CCN(c3oc(-c4ccco4)nc3C#N)CC2)n1 ZINC000507330616 561725271 /nfs/dbraw/zinc/72/52/71/561725271.db2.gz RCWYYOXRCUWKSH-UHFFFAOYSA-N 1 2 350.382 2.227 20 30 FEEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)Nc3ccc4c(c3)OC3(CCCC3)O4)C[C@@H]21 ZINC000329947231 554036881 /nfs/dbraw/zinc/03/68/81/554036881.db2.gz YFUPTRCORYUKOA-WMLDXEAASA-N 1 2 359.426 2.288 20 30 FEEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)Nc3ccc4c(c3)OC3(CCCC3)O4)C[C@@H]21 ZINC000329947231 554036883 /nfs/dbraw/zinc/03/68/83/554036883.db2.gz YFUPTRCORYUKOA-WMLDXEAASA-N 1 2 359.426 2.288 20 30 FEEDLO CO[C@@H]1CC[C@@H](NC(=O)N(C)C[C@@H]2C[C@H](F)C[N@@H+]2Cc2cc(C)no2)C1 ZINC000329950174 554037256 /nfs/dbraw/zinc/03/72/56/554037256.db2.gz MFOQNGLQAVPULL-XUWVNRHRSA-N 1 2 368.453 2.309 20 30 FEEDLO CO[C@@H]1CC[C@@H](NC(=O)N(C)C[C@@H]2C[C@H](F)C[N@H+]2Cc2cc(C)no2)C1 ZINC000329950174 554037262 /nfs/dbraw/zinc/03/72/62/554037262.db2.gz MFOQNGLQAVPULL-XUWVNRHRSA-N 1 2 368.453 2.309 20 30 FEEDLO COc1ccc(NC(=O)N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)c(C(F)(F)F)c1 ZINC000329976989 554042217 /nfs/dbraw/zinc/04/22/17/554042217.db2.gz ZFBBTEXAVTXPMC-KBPBESRZSA-N 1 2 359.348 2.274 20 30 FEEDLO COc1ccc(NC(=O)N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)c(C(F)(F)F)c1 ZINC000329976989 554042218 /nfs/dbraw/zinc/04/22/18/554042218.db2.gz ZFBBTEXAVTXPMC-KBPBESRZSA-N 1 2 359.348 2.274 20 30 FEEDLO Cn1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CNC(=O)CC2(O)CCCCC2)cn1 ZINC000329990662 554045260 /nfs/dbraw/zinc/04/52/60/554045260.db2.gz WHYZZRJYACZODW-HOTGVXAUSA-N 1 2 352.454 2.374 20 30 FEEDLO Cn1cc(C[N@H+]2C[C@@H](F)C[C@H]2CNC(=O)CC2(O)CCCCC2)cn1 ZINC000329990662 554045264 /nfs/dbraw/zinc/04/52/64/554045264.db2.gz WHYZZRJYACZODW-HOTGVXAUSA-N 1 2 352.454 2.374 20 30 FEEDLO CC(C)(CNC(=O)NC[C@H]1CCO[C@@H]1c1ccccc1)[NH+]1CCOCC1 ZINC000330058655 554056540 /nfs/dbraw/zinc/05/65/40/554056540.db2.gz ZHPPPBFSCGSIHC-QZTJIDSGSA-N 1 2 361.486 2.379 20 30 FEEDLO C[C@@H]1C[N@H+](CC(=O)NCCO[C@@H]2CCCC[C@@H]2C)C[C@@]2(CCOC2)O1 ZINC000330083833 554061764 /nfs/dbraw/zinc/06/17/64/554061764.db2.gz QSEJFAWTFFRKBZ-DODZYUBVSA-N 1 2 354.491 2.418 20 30 FEEDLO C[C@@H]1C[N@@H+](CC(=O)NCCO[C@@H]2CCCC[C@@H]2C)C[C@@]2(CCOC2)O1 ZINC000330083833 554061769 /nfs/dbraw/zinc/06/17/69/554061769.db2.gz QSEJFAWTFFRKBZ-DODZYUBVSA-N 1 2 354.491 2.418 20 30 FEEDLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1CC(=O)N(C(C)(C)C)[C@@H]1c1cnn(C)c1 ZINC000330113792 554066897 /nfs/dbraw/zinc/06/68/97/554066897.db2.gz SJPIKBMUCZLMIC-CZUORRHYSA-N 1 2 358.446 2.296 20 30 FEEDLO C[C@H]([C@H](C)NC(=O)N(C[C@@H]1CCCO1)C1CCCC1)[NH+]1CCOCC1 ZINC000330198328 554083776 /nfs/dbraw/zinc/08/37/76/554083776.db2.gz TWDQAJNPLMASLV-JZXOWHBKSA-N 1 2 353.507 2.433 20 30 FEEDLO CCn1cc[nH+]c1[C@@H](NC(=O)N1CC[C@H](O)C[C@@H]1C)C1CCOCC1 ZINC000330211059 554086298 /nfs/dbraw/zinc/08/62/98/554086298.db2.gz IVOHEWOOAOGEFU-BPUTZDHNSA-N 1 2 350.463 2.130 20 30 FEEDLO [O-]C(=[NH+][C@H]1CCn2cc[nH+]c2C1)N1CCc2c(ncn2-c2ccccc2)C1 ZINC000330280958 554098295 /nfs/dbraw/zinc/09/82/95/554098295.db2.gz TYLFKQOSRMEMQB-HNNXBMFYSA-N 1 2 362.437 2.356 20 30 FEEDLO Cc1ccc(NC(=O)NC(=O)[C@H](C)[N@@H+]2C[C@H]3OCCN(C)[C@H]3C2)c(C)c1 ZINC000330342840 554108403 /nfs/dbraw/zinc/10/84/03/554108403.db2.gz BGVYVCCPJOCNKZ-BHYGNILZSA-N 1 2 360.458 2.209 20 30 FEEDLO Cc1ccc(NC(=O)NC(=O)[C@H](C)[N@H+]2C[C@H]3OCCN(C)[C@H]3C2)c(C)c1 ZINC000330342840 554108404 /nfs/dbraw/zinc/10/84/04/554108404.db2.gz BGVYVCCPJOCNKZ-BHYGNILZSA-N 1 2 360.458 2.209 20 30 FEEDLO CCOc1ccc(NC(=O)N2CCN(C)[C@@H](c3[nH+]ccn3C)C2)cc1F ZINC000330356451 554110945 /nfs/dbraw/zinc/11/09/45/554110945.db2.gz RPIQQWLIBDGEEW-OAHLLOKOSA-N 1 2 361.421 2.492 20 30 FEEDLO O=C(NCc1[nH+]ccn1CC(F)(F)F)N1CCC(O)(C(F)(F)F)CC1 ZINC000330713846 554161940 /nfs/dbraw/zinc/16/19/40/554161940.db2.gz XCXKBZDPDUPEAL-UHFFFAOYSA-N 1 2 374.285 2.249 20 30 FEEDLO CCC(=O)N[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)NC(=O)Nc2ccc(C)cc2C)C1 ZINC000330748771 554166275 /nfs/dbraw/zinc/16/62/75/554166275.db2.gz HBKZVATWJVHMSW-JKSUJKDBSA-N 1 2 374.485 2.344 20 30 FEEDLO CCC(=O)N[C@@H]1CCC[N@H+]([C@@H](C)C(=O)NC(=O)Nc2ccc(C)cc2C)C1 ZINC000330748771 554166277 /nfs/dbraw/zinc/16/62/77/554166277.db2.gz HBKZVATWJVHMSW-JKSUJKDBSA-N 1 2 374.485 2.344 20 30 FEEDLO C=CCOc1ccc(CNC(=O)N2CCN(Cc3[nH+]ccn3C)CC2)cc1 ZINC000508434300 561762118 /nfs/dbraw/zinc/76/21/18/561762118.db2.gz XJGGCKCGFFUPLW-UHFFFAOYSA-N 1 2 369.469 2.012 20 30 FEEDLO Cc1nc(C(C)(C)C)sc1C(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000331124722 554217474 /nfs/dbraw/zinc/21/74/74/554217474.db2.gz YNMUNDMYULXTPV-KRWDZBQOSA-N 1 2 355.504 2.137 20 30 FEEDLO C[C@H](C(=O)N(C)C)[NH+]1CCN(C(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000331331258 554247903 /nfs/dbraw/zinc/24/79/03/554247903.db2.gz RQMIICDESHBWIR-GFCCVEGCSA-N 1 2 372.391 2.345 20 30 FEEDLO C[C@H](CC#N)N(C)S(=O)(=O)N1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000509204565 561789932 /nfs/dbraw/zinc/78/99/32/561789932.db2.gz XCYRHKPPNHYFRM-ZACQAIPSSA-N 1 2 364.515 2.060 20 30 FEEDLO C[C@H](CC#N)N(C)S(=O)(=O)N1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000509204565 561789933 /nfs/dbraw/zinc/78/99/33/561789933.db2.gz XCYRHKPPNHYFRM-ZACQAIPSSA-N 1 2 364.515 2.060 20 30 FEEDLO CC[C@@H]1CN(S(=O)(=O)N(C)[C@H](C)CC#N)CC[N@@H+]1Cc1ccccc1 ZINC000509299571 561794404 /nfs/dbraw/zinc/79/44/04/561794404.db2.gz ZREPNYLGDCEOBA-SJLPKXTDSA-N 1 2 364.515 2.062 20 30 FEEDLO CC[C@@H]1CN(S(=O)(=O)N(C)[C@H](C)CC#N)CC[N@H+]1Cc1ccccc1 ZINC000509299571 561794405 /nfs/dbraw/zinc/79/44/05/561794405.db2.gz ZREPNYLGDCEOBA-SJLPKXTDSA-N 1 2 364.515 2.062 20 30 FEEDLO C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000332067411 554373157 /nfs/dbraw/zinc/37/31/57/554373157.db2.gz SWBNFASMMLITGP-VXNCWWDNSA-N 1 2 369.513 2.405 20 30 FEEDLO Cc1nc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)ccc1C#N ZINC000332087640 554377387 /nfs/dbraw/zinc/37/73/87/554377387.db2.gz SOBXIPNGDIESQR-OKILXGFUSA-N 1 2 365.437 2.200 20 30 FEEDLO Cc1cc(N2CCN(C(=O)N[C@@H]3CC[C@H](C#N)C3)CC2)nc(C(C)C)[nH+]1 ZINC000332107947 554381759 /nfs/dbraw/zinc/38/17/59/554381759.db2.gz FHYFMJXKFNNWON-JKSUJKDBSA-N 1 2 356.474 2.432 20 30 FEEDLO Cc1ncc(S(=O)(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1C#N ZINC000332151352 554390664 /nfs/dbraw/zinc/39/06/64/554390664.db2.gz VOJNSZRVUAHZMP-OAHLLOKOSA-N 1 2 370.478 2.157 20 30 FEEDLO Cc1ncc(S(=O)(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1C#N ZINC000332151352 554390665 /nfs/dbraw/zinc/39/06/65/554390665.db2.gz VOJNSZRVUAHZMP-OAHLLOKOSA-N 1 2 370.478 2.157 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)NCc2cn3c([nH+]2)CCCC3)cc1Cl ZINC000332284843 554417593 /nfs/dbraw/zinc/41/75/93/554417593.db2.gz ILJGWVXUHKRGMB-UHFFFAOYSA-N 1 2 350.831 2.223 20 30 FEEDLO Cn1cc[nH+]c1[C@@H](NS(=O)(=O)c1ccc(Cl)cc1C#N)C1CC1 ZINC000510372701 561832580 /nfs/dbraw/zinc/83/25/80/561832580.db2.gz DUEVHSBQVWZOPO-AWEZNQCLSA-N 1 2 350.831 2.375 20 30 FEEDLO CN(CC(=O)Nc1ccccc1Cl)C(=O)C[NH+]1CCC(F)(C#N)CC1 ZINC000510947104 561851803 /nfs/dbraw/zinc/85/18/03/561851803.db2.gz MLPVATMNHFQVNC-UHFFFAOYSA-N 1 2 366.824 2.065 20 30 FEEDLO C=CCOC[C@@H]1NC(=O)N([C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)C1=O ZINC000348581955 554689385 /nfs/dbraw/zinc/68/93/85/554689385.db2.gz QQOFKIWWEGEKQE-ZWKOTPCHSA-N 1 2 368.437 2.364 20 30 FEEDLO CC[N@@H+]1CCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)[C@H](C)C1 ZINC000511279838 561863769 /nfs/dbraw/zinc/86/37/69/561863769.db2.gz KEWVICMGEGUOSA-LLVKDONJSA-N 1 2 372.288 2.035 20 30 FEEDLO CC[N@H+]1CCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)[C@H](C)C1 ZINC000511279838 561863770 /nfs/dbraw/zinc/86/37/70/561863770.db2.gz KEWVICMGEGUOSA-LLVKDONJSA-N 1 2 372.288 2.035 20 30 FEEDLO Cc1nc([C@H]2CCC[N@@H+]([C@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)no1 ZINC000360254740 554868975 /nfs/dbraw/zinc/86/89/75/554868975.db2.gz RBUDWOUWWAWOLD-RDJZCZTQSA-N 1 2 351.410 2.235 20 30 FEEDLO Cc1nc([C@H]2CCC[N@H+]([C@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)no1 ZINC000360254740 554868978 /nfs/dbraw/zinc/86/89/78/554868978.db2.gz RBUDWOUWWAWOLD-RDJZCZTQSA-N 1 2 351.410 2.235 20 30 FEEDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)C(=O)Nc1sccc1C#N ZINC000511931801 561885906 /nfs/dbraw/zinc/88/59/06/561885906.db2.gz YKDDEQLSGLFWCH-UHFFFAOYSA-N 1 2 367.434 2.423 20 30 FEEDLO Cc1nc([C@@H]2CCC[N@@H+]([C@@H]3CCN(c4sccc4C#N)C3=O)C2)no1 ZINC000363634119 555151371 /nfs/dbraw/zinc/15/13/71/555151371.db2.gz BJCPXDOUALSOGS-ZIAGYGMSSA-N 1 2 357.439 2.296 20 30 FEEDLO Cc1nc([C@@H]2CCC[N@H+]([C@@H]3CCN(c4sccc4C#N)C3=O)C2)no1 ZINC000363634119 555151372 /nfs/dbraw/zinc/15/13/72/555151372.db2.gz BJCPXDOUALSOGS-ZIAGYGMSSA-N 1 2 357.439 2.296 20 30 FEEDLO N#Cc1cc([N+](=O)[O-])ccc1N1CCC2(CC1)NC(=O)C1(CCCCC1)[NH2+]2 ZINC000364017581 555234169 /nfs/dbraw/zinc/23/41/69/555234169.db2.gz MNSYASMCTAXHAU-UHFFFAOYSA-N 1 2 369.425 2.185 20 30 FEEDLO C=C(C)C[N@H+](CC(=O)N1CCO[C@@H]2CCCC[C@H]21)Cc1ccc(CO)o1 ZINC000512203005 561895856 /nfs/dbraw/zinc/89/58/56/561895856.db2.gz LWOOPTFQXZUFMZ-RTBURBONSA-N 1 2 362.470 2.320 20 30 FEEDLO C=C(C)C[N@@H+](CC(=O)N1CCO[C@@H]2CCCC[C@H]21)Cc1ccc(CO)o1 ZINC000512203005 561895857 /nfs/dbraw/zinc/89/58/57/561895857.db2.gz LWOOPTFQXZUFMZ-RTBURBONSA-N 1 2 362.470 2.320 20 30 FEEDLO Cc1[nH+]c2n(c1CN1CCN(C(=O)NCCCCC#N)CC1)CCCC2 ZINC000364387149 555303892 /nfs/dbraw/zinc/30/38/92/555303892.db2.gz HDRAMRGZPVOVDO-UHFFFAOYSA-N 1 2 358.490 2.049 20 30 FEEDLO C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(c2nc(N(C)C)no2)CC1 ZINC000364512658 555327115 /nfs/dbraw/zinc/32/71/15/555327115.db2.gz XTDYIEFLLQSWPI-CYBMUJFWSA-N 1 2 368.441 2.214 20 30 FEEDLO N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000365487744 555588866 /nfs/dbraw/zinc/58/88/66/555588866.db2.gz SPVHDDRNZVMRNG-RTBURBONSA-N 1 2 368.481 2.333 20 30 FEEDLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)CSCc1ccc(C#N)cc1 ZINC000367957477 556182129 /nfs/dbraw/zinc/18/21/29/556182129.db2.gz QECALTKGMHPIHK-CRAIPNDOSA-N 1 2 359.495 2.113 20 30 FEEDLO N#C[C@@H]1CN(C(=O)Nc2ccn3cc[nH+]c3c2)C[C@]12C(=O)Nc1ccccc12 ZINC000368112765 556222372 /nfs/dbraw/zinc/22/23/72/556222372.db2.gz FWHKLDIPNOWFDL-XCLFUZPHSA-N 1 2 372.388 2.212 20 30 FEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](CCOC)[C@H]1CCCc2cccnc21 ZINC000368373059 556290613 /nfs/dbraw/zinc/29/06/13/556290613.db2.gz AVGUVJOVOQNLDP-AEFFLSMTSA-N 1 2 358.486 2.416 20 30 FEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](CCOC)[C@H]1CCCc2cccnc21 ZINC000368373059 556290619 /nfs/dbraw/zinc/29/06/19/556290619.db2.gz AVGUVJOVOQNLDP-AEFFLSMTSA-N 1 2 358.486 2.416 20 30 FEEDLO C=CC[C@H](C(=O)N1CC[NH+]([C@@H]2CCCCNC2=O)CC1)c1ccccc1 ZINC000368749872 556404942 /nfs/dbraw/zinc/40/49/42/556404942.db2.gz JZSNJBBMICUUOD-RBUKOAKNSA-N 1 2 355.482 2.159 20 30 FEEDLO C=CCCCCCNC(=O)N1CC[NH+](CC(=O)N2CCCC[C@H]2C)CC1 ZINC000515497583 562012902 /nfs/dbraw/zinc/01/29/02/562012902.db2.gz WRRONHYZSZLPJO-GOSISDBHSA-N 1 2 364.534 2.461 20 30 FEEDLO C=CCN(Cc1ccccc1)C(=O)C(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000515700680 562019907 /nfs/dbraw/zinc/01/99/07/562019907.db2.gz COKKLNRLXYBCPD-SFHVURJKSA-N 1 2 366.465 2.400 20 30 FEEDLO C=CCOc1cccc(NC(=O)N2CC[NH+](C3(C(N)=O)CCCC3)CC2)c1 ZINC000369098726 556504414 /nfs/dbraw/zinc/50/44/14/556504414.db2.gz RSWUCNHEUDOAHH-UHFFFAOYSA-N 1 2 372.469 2.199 20 30 FEEDLO C=CCN1CC[C@H](N(C)C(=O)NCc2cccc(-c3[nH+]ccn3C)c2)C1=O ZINC000369164829 556522984 /nfs/dbraw/zinc/52/29/84/556522984.db2.gz HAEHBBHWKRYYTO-KRWDZBQOSA-N 1 2 367.453 2.015 20 30 FEEDLO C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000515958767 562026377 /nfs/dbraw/zinc/02/63/77/562026377.db2.gz HLCIBGDGHDXHDV-IXDOHACOSA-N 1 2 355.486 2.253 20 30 FEEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCO[C@@]2(CCO[C@@H]2C)C1 ZINC000369318307 556573565 /nfs/dbraw/zinc/57/35/65/556573565.db2.gz BBYUBNUCTKPCOZ-UDHYTOICSA-N 1 2 363.502 2.186 20 30 FEEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCO[C@@]2(CCO[C@@H]2C)C1 ZINC000369318307 556573568 /nfs/dbraw/zinc/57/35/68/556573568.db2.gz BBYUBNUCTKPCOZ-UDHYTOICSA-N 1 2 363.502 2.186 20 30 FEEDLO C[C@@H]1CC[S@@](=O)CC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000369359722 556579545 /nfs/dbraw/zinc/57/95/45/556579545.db2.gz UJLSWLSUGHYCQJ-OIRASMEMSA-N 1 2 365.524 2.280 20 30 FEEDLO C[C@@H]1CC[S@@](=O)CC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000369359722 556579548 /nfs/dbraw/zinc/57/95/48/556579548.db2.gz UJLSWLSUGHYCQJ-OIRASMEMSA-N 1 2 365.524 2.280 20 30 FEEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](C(=O)N2CCCCC2)C1 ZINC000370226763 556816138 /nfs/dbraw/zinc/81/61/38/556816138.db2.gz DOJMKSJALQLATM-RTBURBONSA-N 1 2 369.465 2.497 20 30 FEEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](C(=O)N2CCCCC2)C1 ZINC000370226763 556816139 /nfs/dbraw/zinc/81/61/39/556816139.db2.gz DOJMKSJALQLATM-RTBURBONSA-N 1 2 369.465 2.497 20 30 FEEDLO Cc1cc(N2CCC(NC(=O)[C@@H](C)Oc3ccc(C#N)cc3)CC2)nc[nH+]1 ZINC000370273465 556826873 /nfs/dbraw/zinc/82/68/73/556826873.db2.gz WPLRFMAQKNVYCO-OAHLLOKOSA-N 1 2 365.437 2.209 20 30 FEEDLO Cc1nc(C(=O)N2CCCN(Cc3[nH+]ccn3C(C)C)CC2)ccc1C#N ZINC000370884887 557002060 /nfs/dbraw/zinc/00/20/60/557002060.db2.gz DEMBEVKJGRSSGQ-UHFFFAOYSA-N 1 2 366.469 2.387 20 30 FEEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@@H](N2CCCCC2=O)C1 ZINC000370905581 557010610 /nfs/dbraw/zinc/01/06/10/557010610.db2.gz QGJJTQMIVPDEGB-CRAIPNDOSA-N 1 2 354.454 2.362 20 30 FEEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@@H](N2CCCCC2=O)C1 ZINC000370905581 557010611 /nfs/dbraw/zinc/01/06/11/557010611.db2.gz QGJJTQMIVPDEGB-CRAIPNDOSA-N 1 2 354.454 2.362 20 30 FEEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000371409244 557177059 /nfs/dbraw/zinc/17/70/59/557177059.db2.gz KRLXBWZXKJDPBV-MRXNPFEDSA-N 1 2 354.454 2.078 20 30 FEEDLO Cc1cc(C)n2c(C[N@@H+]3C[C@@H](C#N)[C@@]4(C3)c3ccccc3NC4=O)cnc2n1 ZINC000371457037 557189896 /nfs/dbraw/zinc/18/98/96/557189896.db2.gz HXJJGFNWZQWFRR-VFNWGFHPSA-N 1 2 372.432 2.192 20 30 FEEDLO Cc1cc(C)n2c(C[N@H+]3C[C@@H](C#N)[C@@]4(C3)c3ccccc3NC4=O)cnc2n1 ZINC000371457037 557189902 /nfs/dbraw/zinc/18/99/02/557189902.db2.gz HXJJGFNWZQWFRR-VFNWGFHPSA-N 1 2 372.432 2.192 20 30 FEEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CC[C@H](Oc3ccccc3)C2)c1 ZINC000372220189 557413203 /nfs/dbraw/zinc/41/32/03/557413203.db2.gz YRAIZTNPKRHHAE-SFHVURJKSA-N 1 2 356.447 2.485 20 30 FEEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CC[C@H](Oc3ccccc3)C2)c1 ZINC000372220189 557413204 /nfs/dbraw/zinc/41/32/04/557413204.db2.gz YRAIZTNPKRHHAE-SFHVURJKSA-N 1 2 356.447 2.485 20 30 FEEDLO CO[C@H]1C[C@H](c2nc(C3CC3)no2)[N@H+](C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000372453199 557474503 /nfs/dbraw/zinc/47/45/03/557474503.db2.gz BYODSUOVTJNIFJ-GVDBMIGSSA-N 1 2 354.410 2.314 20 30 FEEDLO CO[C@H]1C[C@H](c2nc(C3CC3)no2)[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000372453199 557474506 /nfs/dbraw/zinc/47/45/06/557474506.db2.gz BYODSUOVTJNIFJ-GVDBMIGSSA-N 1 2 354.410 2.314 20 30 FEEDLO CC(C)(C#N)c1ccc(C(=O)NC[C@@]2([NH+]3CCOCC3)CCCOC2)cc1 ZINC000373544850 557715469 /nfs/dbraw/zinc/71/54/69/557715469.db2.gz GOUGLWDWDGZJPC-NRFANRHFSA-N 1 2 371.481 2.099 20 30 FEEDLO CCC[N@H+](Cc1ncc(-c2ccc(C#N)cc2)o1)[C@H]1CC(=O)N(C)C1=O ZINC000374570709 557901136 /nfs/dbraw/zinc/90/11/36/557901136.db2.gz CYXGNNDMVNNIAP-HNNXBMFYSA-N 1 2 352.394 2.183 20 30 FEEDLO CCC[N@@H+](Cc1ncc(-c2ccc(C#N)cc2)o1)[C@H]1CC(=O)N(C)C1=O ZINC000374570709 557901137 /nfs/dbraw/zinc/90/11/37/557901137.db2.gz CYXGNNDMVNNIAP-HNNXBMFYSA-N 1 2 352.394 2.183 20 30 FEEDLO CS(=O)(=O)c1ccc2c(c1)CC[N@@H+](CCOc1ccccc1C#N)CC2 ZINC000374813038 557934924 /nfs/dbraw/zinc/93/49/24/557934924.db2.gz XEASVPDHJHFCAM-UHFFFAOYSA-N 1 2 370.474 2.441 20 30 FEEDLO CS(=O)(=O)c1ccc2c(c1)CC[N@H+](CCOc1ccccc1C#N)CC2 ZINC000374813038 557934926 /nfs/dbraw/zinc/93/49/26/557934926.db2.gz XEASVPDHJHFCAM-UHFFFAOYSA-N 1 2 370.474 2.441 20 30 FEEDLO N#Cc1ccc(Br)c(C[N@@H+]2CCC[C@]3(CNC(=O)O3)C2)c1 ZINC000375429822 558025374 /nfs/dbraw/zinc/02/53/74/558025374.db2.gz SFWRVFPPDJPQQO-HNNXBMFYSA-N 1 2 350.216 2.395 20 30 FEEDLO N#Cc1ccc(Br)c(C[N@H+]2CCC[C@]3(CNC(=O)O3)C2)c1 ZINC000375429822 558025375 /nfs/dbraw/zinc/02/53/75/558025375.db2.gz SFWRVFPPDJPQQO-HNNXBMFYSA-N 1 2 350.216 2.395 20 30 FEEDLO COC(=O)[C@H](N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)c1cccc(C#N)c1 ZINC000375470338 558032879 /nfs/dbraw/zinc/03/28/79/558032879.db2.gz JJXARCIFJOXVQR-GUDVDZBRSA-N 1 2 357.454 2.005 20 30 FEEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000376195246 558139263 /nfs/dbraw/zinc/13/92/63/558139263.db2.gz JTVLBQKFYKSANG-WBVHZDCISA-N 1 2 357.454 2.037 20 30 FEEDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)[C@H](C#N)Cc2ccc(C#N)cc2)C1 ZINC000376496397 558180850 /nfs/dbraw/zinc/18/08/50/558180850.db2.gz WZBFOZAIEYJJOV-OALUTQOASA-N 1 2 361.449 2.455 20 30 FEEDLO N#Cc1cc(F)c(N2CCC(C(=O)NCCCn3cc[nH+]c3)CC2)c(F)c1 ZINC000376826755 558226516 /nfs/dbraw/zinc/22/65/16/558226516.db2.gz STJSZUFHYPMDNR-UHFFFAOYSA-N 1 2 373.407 2.456 20 30 FEEDLO CN(C1CCN(c2cccc[nH+]2)CC1)S(=O)(=O)CCC(C)(C)C#N ZINC000377924183 558449133 /nfs/dbraw/zinc/44/91/33/558449133.db2.gz RROPKKYQHKQOGU-UHFFFAOYSA-N 1 2 350.488 2.252 20 30 FEEDLO N#Cc1ccccc1N1CCN(C(=O)NCCCCn2cc[nH+]c2)CC1 ZINC000523488300 562214135 /nfs/dbraw/zinc/21/41/35/562214135.db2.gz KUYMLERYZXQRNO-UHFFFAOYSA-N 1 2 352.442 2.067 20 30 FEEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)c3cc4ccccc4o3)C2)C1=O ZINC000525709065 562252881 /nfs/dbraw/zinc/25/28/81/562252881.db2.gz JWHKRZWJRHTSJM-DLBZAZTESA-N 1 2 367.449 2.414 20 30 FEEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)c3cc4ccccc4o3)C2)C1=O ZINC000525709065 562252882 /nfs/dbraw/zinc/25/28/82/562252882.db2.gz JWHKRZWJRHTSJM-DLBZAZTESA-N 1 2 367.449 2.414 20 30 FEEDLO CCO[C@H]1C[C@]([NH2+]CCC(=O)Nc2cccc(C#N)c2)(C(=O)OC)C1(C)C ZINC000411621704 558930678 /nfs/dbraw/zinc/93/06/78/558930678.db2.gz XRJYVOGUMOWCST-JXFKEZNVSA-N 1 2 373.453 2.223 20 30 FEEDLO C[C@@H](O)CNc1cc(N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)nc[nH+]1 ZINC000413136498 559081619 /nfs/dbraw/zinc/08/16/19/559081619.db2.gz FNPQHUNKNVNQDH-HIFRSBDPSA-N 1 2 370.432 2.361 20 30 FEEDLO C[C@@H](O)CNc1cc(N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)[nH+]cn1 ZINC000413136498 559081620 /nfs/dbraw/zinc/08/16/20/559081620.db2.gz FNPQHUNKNVNQDH-HIFRSBDPSA-N 1 2 370.432 2.361 20 30 FEEDLO COc1cc(C[N@H+](C)CC(=O)NC2(C#N)CCC2)c(SC)cc1OC ZINC000526296041 562268261 /nfs/dbraw/zinc/26/82/61/562268261.db2.gz VJOZSEWCOGHKHM-UHFFFAOYSA-N 1 2 363.483 2.420 20 30 FEEDLO COc1cc(C[N@@H+](C)CC(=O)NC2(C#N)CCC2)c(SC)cc1OC ZINC000526296041 562268262 /nfs/dbraw/zinc/26/82/62/562268262.db2.gz VJOZSEWCOGHKHM-UHFFFAOYSA-N 1 2 363.483 2.420 20 30 FEEDLO CCCn1c(SC[C@@H](O)C[N@H+](C)CCC#N)nc2ccccc2c1=O ZINC000414102172 559149210 /nfs/dbraw/zinc/14/92/10/559149210.db2.gz VDUZUTRLXDJLPY-AWEZNQCLSA-N 1 2 360.483 2.105 20 30 FEEDLO CCCn1c(SC[C@@H](O)C[N@@H+](C)CCC#N)nc2ccccc2c1=O ZINC000414102172 559149211 /nfs/dbraw/zinc/14/92/11/559149211.db2.gz VDUZUTRLXDJLPY-AWEZNQCLSA-N 1 2 360.483 2.105 20 30 FEEDLO Cc1[nH+]c2cc(CNS(=O)(=O)N(C)C[C@@H](C)C#N)ccc2n1C1CC1 ZINC000416482473 559316495 /nfs/dbraw/zinc/31/64/95/559316495.db2.gz YCIJVYTVXYEBDA-LBPRGKRZSA-N 1 2 361.471 2.106 20 30 FEEDLO CCn1cccc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1=O ZINC000417275966 559355838 /nfs/dbraw/zinc/35/58/38/559355838.db2.gz WIMFFAOUGNHGBY-UHFFFAOYSA-N 1 2 365.437 2.090 20 30 FEEDLO C=CCC[C@@H]1NC(=O)N(C[C@@H](c2cccc(C)c2)[NH+]2CCOCC2)C1=O ZINC000419922348 559464713 /nfs/dbraw/zinc/46/47/13/559464713.db2.gz JZWFJSXIKVTSLO-ROUUACIJSA-N 1 2 357.454 2.255 20 30 FEEDLO C=CCC[C@@H]1NC(=O)N([C@H](c2[nH+]ccn2C)c2ccc(OC)cc2)C1=O ZINC000419930359 559465240 /nfs/dbraw/zinc/46/52/40/559465240.db2.gz YABNWFKTKVJCAT-HOTGVXAUSA-N 1 2 354.410 2.405 20 30 FEEDLO C[N@H+](CCS(=O)(=O)c1ccc(C#N)cn1)C1CC(OC(C)(C)C)C1 ZINC000421017881 559519908 /nfs/dbraw/zinc/51/99/08/559519908.db2.gz VSEXFNYOOBWXQQ-UHFFFAOYSA-N 1 2 351.472 2.005 20 30 FEEDLO C[N@@H+](CCS(=O)(=O)c1ccc(C#N)cn1)C1CC(OC(C)(C)C)C1 ZINC000421017881 559519909 /nfs/dbraw/zinc/51/99/09/559519909.db2.gz VSEXFNYOOBWXQQ-UHFFFAOYSA-N 1 2 351.472 2.005 20 30 FEEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000422527674 559593082 /nfs/dbraw/zinc/59/30/82/559593082.db2.gz MEBDOOPRUQPCQG-ROUUACIJSA-N 1 2 366.465 2.040 20 30 FEEDLO C=CCn1cc(CN[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)nn1 ZINC000424297282 559661037 /nfs/dbraw/zinc/66/10/37/559661037.db2.gz QBWRZENOVDMRKK-ZWKOTPCHSA-N 1 2 361.877 2.279 20 30 FEEDLO C=CCn1cc(CN[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)nn1 ZINC000424297282 559661038 /nfs/dbraw/zinc/66/10/38/559661038.db2.gz QBWRZENOVDMRKK-ZWKOTPCHSA-N 1 2 361.877 2.279 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000424524898 559668378 /nfs/dbraw/zinc/66/83/78/559668378.db2.gz ACMPEUHZSWURPS-ZRNYENFQSA-N 1 2 356.466 2.079 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000424524898 559668379 /nfs/dbraw/zinc/66/83/79/559668379.db2.gz ACMPEUHZSWURPS-ZRNYENFQSA-N 1 2 356.466 2.079 20 30 FEEDLO C=CCCn1cc(C(=O)N[C@@H](c2[nH+]ccn2C)c2ccc(OC)cc2)nn1 ZINC000424554239 559669179 /nfs/dbraw/zinc/66/91/79/559669179.db2.gz DWHGGJCXDYYTDB-QGZVFWFLSA-N 1 2 366.425 2.116 20 30 FEEDLO C=CCCn1cc(C(=O)NCc2ccc(N3CCC(C)CC3)[nH+]c2)nn1 ZINC000424598611 559670643 /nfs/dbraw/zinc/67/06/43/559670643.db2.gz VMHHQHPVXAQLQA-UHFFFAOYSA-N 1 2 354.458 2.416 20 30 FEEDLO COC(=O)c1cnc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cccc(C#N)c2)s1 ZINC000425484515 559704803 /nfs/dbraw/zinc/70/48/03/559704803.db2.gz JCAMOOGNJGOCSX-GHMZBOCLSA-N 1 2 358.423 2.479 20 30 FEEDLO N#Cc1ncccc1S(=O)(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000428401179 559774782 /nfs/dbraw/zinc/77/47/82/559774782.db2.gz PHXJQYHGJACWMH-UHFFFAOYSA-N 1 2 359.455 2.031 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)CO[C@H]1CCCc2ccccc21 ZINC000431956698 559849330 /nfs/dbraw/zinc/84/93/30/559849330.db2.gz UZLIAXFSSRACTD-FQEVSTJZSA-N 1 2 371.481 2.155 20 30 FEEDLO C[C@H]([NH2+]CC(=O)Nc1ccc(C#N)cc1)c1ncc(Br)cn1 ZINC000433010341 559869838 /nfs/dbraw/zinc/86/98/38/559869838.db2.gz XSPJFYVBTDRQCD-JTQLQIEISA-N 1 2 360.215 2.400 20 30 FEEDLO C=CCOc1ccc(C[NH+]2CCN(Cc3nc(COC)no3)CC2)cc1 ZINC000438550675 559980514 /nfs/dbraw/zinc/98/05/14/559980514.db2.gz JSYKCDCFKONDMR-UHFFFAOYSA-N 1 2 358.442 2.099 20 30 FEEDLO CC(C)(C)OC(=O)C[NH2+][C@@]1(C)CCN(C(=O)NCc2cccc(C#N)c2)C1 ZINC000441152431 560025239 /nfs/dbraw/zinc/02/52/39/560025239.db2.gz JJDFBCMTPWAVMJ-FQEVSTJZSA-N 1 2 372.469 2.164 20 30 FEEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC000442055541 560042921 /nfs/dbraw/zinc/04/29/21/560042921.db2.gz LEYDKAUXZQCYDY-LLVKDONJSA-N 1 2 372.347 2.299 20 30 FEEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC000442055541 560042923 /nfs/dbraw/zinc/04/29/23/560042923.db2.gz LEYDKAUXZQCYDY-LLVKDONJSA-N 1 2 372.347 2.299 20 30 FEEDLO N#Cc1ccc(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)cc1O ZINC000442896747 560061453 /nfs/dbraw/zinc/06/14/53/560061453.db2.gz ICACMQKNKDAOQA-UHFFFAOYSA-N 1 2 351.406 2.026 20 30 FEEDLO CC[C@@H](NC(=O)[C@H]1CCCN(c2nc(C)ccc2C#N)C1)c1[nH]cc[nH+]1 ZINC000443119043 560071432 /nfs/dbraw/zinc/07/14/32/560071432.db2.gz RAHPJCFZLIGCMO-JKSUJKDBSA-N 1 2 352.442 2.469 20 30 FEEDLO N#Cc1ccc(C(=O)Nc2ccc3[nH]c(N4CCOCC4)[nH+]c3c2)cc1O ZINC000443546237 560086818 /nfs/dbraw/zinc/08/68/18/560086818.db2.gz AZFAMAIJZFWZJQ-UHFFFAOYSA-N 1 2 363.377 2.229 20 30 FEEDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)c3ccc(C#N)n3C)CC2)c1 ZINC000448908120 560206027 /nfs/dbraw/zinc/20/60/27/560206027.db2.gz ITXVAAOCCMUVMT-OAHLLOKOSA-N 1 2 352.438 2.424 20 30 FEEDLO COc1cc2c(cc1OC)C[N@H+](CCNC(=O)c1cc(C#N)[nH]c1C)CC2 ZINC000449808941 560240627 /nfs/dbraw/zinc/24/06/27/560240627.db2.gz DIFMEPGVRASSMU-UHFFFAOYSA-N 1 2 368.437 2.000 20 30 FEEDLO COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)c1cc(C#N)[nH]c1C)CC2 ZINC000449808941 560240628 /nfs/dbraw/zinc/24/06/28/560240628.db2.gz DIFMEPGVRASSMU-UHFFFAOYSA-N 1 2 368.437 2.000 20 30 FEEDLO Cc1[nH]c(C#N)cc1C(=O)NC[C@H](c1cccs1)[N@H+]1CCO[C@@H](C)C1 ZINC000450040397 560248906 /nfs/dbraw/zinc/24/89/06/560248906.db2.gz HNUVRWKMXULANN-BLLLJJGKSA-N 1 2 358.467 2.448 20 30 FEEDLO Cc1[nH]c(C#N)cc1C(=O)NC[C@H](c1cccs1)[N@@H+]1CCO[C@@H](C)C1 ZINC000450040397 560248907 /nfs/dbraw/zinc/24/89/07/560248907.db2.gz HNUVRWKMXULANN-BLLLJJGKSA-N 1 2 358.467 2.448 20 30 FEEDLO CC[C@H](C)NC(=O)C[NH+]1CCN(c2nc3ccccc3c(C)c2C#N)CC1 ZINC000450247180 560255623 /nfs/dbraw/zinc/25/56/23/560255623.db2.gz SSZHGKXQNQPCJZ-HNNXBMFYSA-N 1 2 365.481 2.452 20 30 FEEDLO C=CCC1(C(=O)N2CC[C@H]([N@H+](C)Cc3nccc(N)n3)C2)CCCCC1 ZINC000450924524 560278745 /nfs/dbraw/zinc/27/87/45/560278745.db2.gz NDIWJZQAFZQQNS-INIZCTEOSA-N 1 2 357.502 2.618 20 30 FEEDLO C=CCC1(C(=O)N2CC[C@H]([N@@H+](C)Cc3nccc(N)n3)C2)CCCCC1 ZINC000450924524 560278746 /nfs/dbraw/zinc/27/87/46/560278746.db2.gz NDIWJZQAFZQQNS-INIZCTEOSA-N 1 2 357.502 2.618 20 30 FEEDLO Cn1cc[nH+]c1[C@H](NS(=O)(=O)CC1(CC#N)CC1)c1ccccc1F ZINC000451005312 560281932 /nfs/dbraw/zinc/28/19/32/560281932.db2.gz RTYINKPLGOYERM-OAHLLOKOSA-N 1 2 362.430 2.262 20 30 FEEDLO N#Cc1cccc(NC(=O)C[N@@H+]2C[C@@H](c3ccccc3)[C@@](F)(CO)C2)c1 ZINC000451256221 560296262 /nfs/dbraw/zinc/29/62/62/560296262.db2.gz DWBNZTDNGMEFCP-ICSRJNTNSA-N 1 2 353.397 2.297 20 30 FEEDLO N#Cc1cccc(NC(=O)C[N@H+]2C[C@@H](c3ccccc3)[C@@](F)(CO)C2)c1 ZINC000451256221 560296263 /nfs/dbraw/zinc/29/62/63/560296263.db2.gz DWBNZTDNGMEFCP-ICSRJNTNSA-N 1 2 353.397 2.297 20 30 FEEDLO CN(CCCn1cc[nH+]c1)S(=O)(=O)c1ccc(CC#N)cc1Cl ZINC000451328884 560300483 /nfs/dbraw/zinc/30/04/83/560300483.db2.gz JCBRQZDBHSTDKF-UHFFFAOYSA-N 1 2 352.847 2.313 20 30 FEEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC[C@@](O)(C(F)F)C1 ZINC000451427483 560306477 /nfs/dbraw/zinc/30/64/77/560306477.db2.gz JEJXPRBBBVGIJV-SJCJKPOMSA-N 1 2 355.360 2.163 20 30 FEEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CC[C@@](O)(C(F)F)C1 ZINC000451427483 560306478 /nfs/dbraw/zinc/30/64/78/560306478.db2.gz JEJXPRBBBVGIJV-SJCJKPOMSA-N 1 2 355.360 2.163 20 30 FEEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2C[C@H](C)C[C@@H](O)C2)c1C#N ZINC000452069883 560349373 /nfs/dbraw/zinc/34/93/73/560349373.db2.gz QNRGQOOCCZJFSA-CZUORRHYSA-N 1 2 370.453 2.259 20 30 FEEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2C[C@H](C)C[C@@H](O)C2)c1C#N ZINC000452069883 560349374 /nfs/dbraw/zinc/34/93/74/560349374.db2.gz QNRGQOOCCZJFSA-CZUORRHYSA-N 1 2 370.453 2.259 20 30 FEEDLO C=CCn1c(N2CC[NH+](Cc3ccco3)CC2)nnc1[C@@]1(C)CCCO1 ZINC000453439062 560386649 /nfs/dbraw/zinc/38/66/49/560386649.db2.gz KXYKDHRUZVBTLG-LJQANCHMSA-N 1 2 357.458 2.405 20 30 FEEDLO C=CC(C)(C)CNC(=O)C(=O)Nc1ccc(C[NH+]2CCN(CC)CC2)cc1 ZINC000453877861 560410138 /nfs/dbraw/zinc/41/01/38/560410138.db2.gz GCDWFJIVJZYGSU-UHFFFAOYSA-N 1 2 372.513 2.091 20 30 FEEDLO C=CCN1C(=O)c2ccc(C(=O)N[C@@H]3C[C@@H](C)n4cc[nH+]c43)cc2C1=O ZINC000456358139 560517230 /nfs/dbraw/zinc/51/72/30/560517230.db2.gz CEULFHBJFCRAIM-IAQYHMDHSA-N 1 2 350.378 2.101 20 30 FEEDLO Cc1cc(C)c(CNC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)c[nH+]1 ZINC000456864263 560534746 /nfs/dbraw/zinc/53/47/46/560534746.db2.gz SBVMEWUHWWTFPW-UHFFFAOYSA-N 1 2 362.437 2.479 20 30 FEEDLO C=CCNC(=O)C[NH+]1CCN(Cc2c(C)nc3scc(C4CC4)n23)CC1 ZINC000459310844 560679038 /nfs/dbraw/zinc/67/90/38/560679038.db2.gz RQJLTMJHRQAUAJ-UHFFFAOYSA-N 1 2 373.526 2.001 20 30 FEEDLO C[N@H+](Cc1c(C#N)cccc1[N+](=O)[O-])[C@@H]1CCCN(c2cccnn2)C1 ZINC000459329539 560680128 /nfs/dbraw/zinc/68/01/28/560680128.db2.gz AHOZEDCGSLNARY-OAHLLOKOSA-N 1 2 352.398 2.357 20 30 FEEDLO C[N@@H+](Cc1c(C#N)cccc1[N+](=O)[O-])[C@@H]1CCCN(c2cccnn2)C1 ZINC000459329539 560680129 /nfs/dbraw/zinc/68/01/29/560680129.db2.gz AHOZEDCGSLNARY-OAHLLOKOSA-N 1 2 352.398 2.357 20 30 FEEDLO COCC(=O)NC1C[NH+](Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000459607887 560697417 /nfs/dbraw/zinc/69/74/17/560697417.db2.gz FUXXSGSSZUWNIQ-UHFFFAOYSA-N 1 2 365.433 2.084 20 30 FEEDLO C=CCN(CC=C)C(=O)C(=O)N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000459819122 560710661 /nfs/dbraw/zinc/71/06/61/560710661.db2.gz SLFZFBGDDMMQCR-QGZVFWFLSA-N 1 2 371.481 2.101 20 30 FEEDLO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000459857520 560713991 /nfs/dbraw/zinc/71/39/91/560713991.db2.gz DRUONJXDZXNBRE-UHFFFAOYSA-N 1 2 367.902 2.223 20 30 FEEDLO CN(CC(=O)N(CCC#N)CCC#N)Cc1[nH+]ccn1Cc1ccccc1 ZINC000464725990 560849333 /nfs/dbraw/zinc/84/93/33/560849333.db2.gz PXJPVGWRNHXSLC-UHFFFAOYSA-N 1 2 364.453 2.019 20 30 FEEDLO COc1cccc(-c2noc([C@H](C)[NH2+][C@H](C)C(=O)NC3(C#N)CCC3)n2)c1 ZINC000469307842 560952261 /nfs/dbraw/zinc/95/22/61/560952261.db2.gz VPCYUHZWEXVTHZ-OLZOCXBDSA-N 1 2 369.425 2.347 20 30 FEEDLO N#Cc1ccc(F)c(CNC(=O)c2ccccc2C[NH+]2CCOCC2)c1 ZINC000469569286 560958675 /nfs/dbraw/zinc/95/86/75/560958675.db2.gz SKAZEECGHAHQGB-UHFFFAOYSA-N 1 2 353.397 2.460 20 30 FEEDLO C[C@@H](C[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1)CS(C)(=O)=O ZINC000471014449 560996374 /nfs/dbraw/zinc/99/63/74/560996374.db2.gz KMTMQLZMMHSJFP-YOEHRIQHSA-N 1 2 369.918 2.203 20 30 FEEDLO CCOC[C@@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(C)C ZINC000473969828 561062377 /nfs/dbraw/zinc/06/23/77/561062377.db2.gz YQBNEBDKKHMEMT-LJQANCHMSA-N 1 2 358.486 2.447 20 30 FEEDLO CCN1CCN(C(=O)NCc2cc(C#N)ccc2F)C[C@H]1c1[nH]cc[nH+]1 ZINC000474581664 561077401 /nfs/dbraw/zinc/07/74/01/561077401.db2.gz LZGLFWANIOIGCW-INIZCTEOSA-N 1 2 356.405 2.009 20 30 FEEDLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)c2cnn(C)c2C#N)CC1 ZINC000476119684 561111481 /nfs/dbraw/zinc/11/14/81/561111481.db2.gz IRNPDWACBMRBOX-CYBMUJFWSA-N 1 2 357.845 2.464 20 30 FEEDLO C=CCCC1(C(=O)N2CCO[C@H](C[N@@H+](C)CC(=O)OC(C)(C)C)C2)CC1 ZINC000477144675 561137859 /nfs/dbraw/zinc/13/78/59/561137859.db2.gz OLONURDCXCUAKW-MRXNPFEDSA-N 1 2 366.502 2.234 20 30 FEEDLO C=CCCC1(C(=O)N2CCO[C@H](C[N@H+](C)CC(=O)OC(C)(C)C)C2)CC1 ZINC000477144675 561137860 /nfs/dbraw/zinc/13/78/60/561137860.db2.gz OLONURDCXCUAKW-MRXNPFEDSA-N 1 2 366.502 2.234 20 30 FEEDLO N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCO[C@H](c2cccc(O)c2)C1 ZINC000528403303 562327150 /nfs/dbraw/zinc/32/71/50/562327150.db2.gz CPDSETXTXIDVGF-ICSRJNTNSA-N 1 2 354.406 2.077 20 30 FEEDLO N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CCO[C@H](c2cccc(O)c2)C1 ZINC000528403303 562327151 /nfs/dbraw/zinc/32/71/51/562327151.db2.gz CPDSETXTXIDVGF-ICSRJNTNSA-N 1 2 354.406 2.077 20 30 FEEDLO C=CCN(C(=O)CCc1c[nH+]cn1C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000530283388 562405256 /nfs/dbraw/zinc/40/52/56/562405256.db2.gz PLPLWZZOUZIYSV-HNNXBMFYSA-N 1 2 365.441 2.104 20 30 FEEDLO COC(=O)[C@H]1CC[N@H+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)C1 ZINC000532503475 562479733 /nfs/dbraw/zinc/47/97/33/562479733.db2.gz YMJRWVNSFQSBDV-KGLIPLIRSA-N 1 2 361.467 2.372 20 30 FEEDLO COC(=O)[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)C1 ZINC000532503475 562479734 /nfs/dbraw/zinc/47/97/34/562479734.db2.gz YMJRWVNSFQSBDV-KGLIPLIRSA-N 1 2 361.467 2.372 20 30 FEEDLO COCC[N@H+](CC(=O)Nc1ccc2c(c1)OCO2)Cc1ccc(C#N)cc1 ZINC000532524167 562480190 /nfs/dbraw/zinc/48/01/90/562480190.db2.gz VCMZDCTWQGZIGF-UHFFFAOYSA-N 1 2 367.405 2.374 20 30 FEEDLO COCC[N@@H+](CC(=O)Nc1ccc2c(c1)OCO2)Cc1ccc(C#N)cc1 ZINC000532524167 562480191 /nfs/dbraw/zinc/48/01/91/562480191.db2.gz VCMZDCTWQGZIGF-UHFFFAOYSA-N 1 2 367.405 2.374 20 30 FEEDLO C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)Nc2ccc(C#N)cc2Cl)C1 ZINC000534540241 562536353 /nfs/dbraw/zinc/53/63/53/562536353.db2.gz GIKVUPQBFDZTSF-QGZVFWFLSA-N 1 2 368.824 2.453 20 30 FEEDLO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)Nc2ccc(C#N)cc2Cl)C1 ZINC000534540241 562536354 /nfs/dbraw/zinc/53/63/54/562536354.db2.gz GIKVUPQBFDZTSF-QGZVFWFLSA-N 1 2 368.824 2.453 20 30 FEEDLO C[N@H+]1Cc2ccccc2[C@H](NS(=O)(=O)c2c(F)cc(C#N)cc2F)C1 ZINC000535266175 562554701 /nfs/dbraw/zinc/55/47/01/562554701.db2.gz OJSRKCAOEDIFND-MRXNPFEDSA-N 1 2 363.389 2.301 20 30 FEEDLO C[N@@H+]1Cc2ccccc2[C@H](NS(=O)(=O)c2c(F)cc(C#N)cc2F)C1 ZINC000535266175 562554702 /nfs/dbraw/zinc/55/47/02/562554702.db2.gz OJSRKCAOEDIFND-MRXNPFEDSA-N 1 2 363.389 2.301 20 30 FEEDLO COc1cc(NS(C)(=O)=O)ccc1NCc1c[nH+]c2ccc(C#N)cn12 ZINC000535835649 562569297 /nfs/dbraw/zinc/56/92/97/562569297.db2.gz HPEPSQGGKNENJG-UHFFFAOYSA-N 1 2 371.422 2.198 20 30 FEEDLO N#Cc1ccccc1N1CCCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)CC1 ZINC000536653250 562580412 /nfs/dbraw/zinc/58/04/12/562580412.db2.gz HMTPRYVXXGADTO-UHFFFAOYSA-N 1 2 372.432 2.491 20 30 FEEDLO N#Cc1ccc(C[C@H](C#N)C(=O)N2CC[NH+](Cc3ccc(O)cc3)CC2)cc1 ZINC000601730899 567820116 /nfs/dbraw/zinc/82/01/16/567820116.db2.gz YOOSHVCGIIEDNF-HXUWFJFHSA-N 1 2 374.444 2.291 20 30 FEEDLO COc1cc2c(cc1OC)C[N@H+](CC(=O)N(C)[C@@H]1CCC[C@H]1C#N)CC2 ZINC000601814896 567846692 /nfs/dbraw/zinc/84/66/92/567846692.db2.gz PXEJEZVJQVDUDA-DOTOQJQBSA-N 1 2 357.454 2.213 20 30 FEEDLO COc1cc2c(cc1OC)C[N@@H+](CC(=O)N(C)[C@@H]1CCC[C@H]1C#N)CC2 ZINC000601814896 567846694 /nfs/dbraw/zinc/84/66/94/567846694.db2.gz PXEJEZVJQVDUDA-DOTOQJQBSA-N 1 2 357.454 2.213 20 30 FEEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+](C)[C@H]1CCCCN(C)C1=O ZINC000601970243 567890507 /nfs/dbraw/zinc/89/05/07/567890507.db2.gz NHDBRIHUHBLSFY-AEFFLSMTSA-N 1 2 356.470 2.264 20 30 FEEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)[C@H]1CCCCN(C)C1=O ZINC000601970243 567890508 /nfs/dbraw/zinc/89/05/08/567890508.db2.gz NHDBRIHUHBLSFY-AEFFLSMTSA-N 1 2 356.470 2.264 20 30 FEEDLO N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000602042881 567910496 /nfs/dbraw/zinc/91/04/96/567910496.db2.gz OKVMULHZRDISQT-NUJGCVRESA-N 1 2 353.401 2.061 20 30 FEEDLO N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000602042881 567910497 /nfs/dbraw/zinc/91/04/97/567910497.db2.gz OKVMULHZRDISQT-NUJGCVRESA-N 1 2 353.401 2.061 20 30 FEEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)CC1 ZINC000602087273 567921553 /nfs/dbraw/zinc/92/15/53/567921553.db2.gz BYMNSPFPRQHPEA-ZIAGYGMSSA-N 1 2 357.380 2.069 20 30 FEEDLO COC(=O)c1ccc(C)c(NC(=O)[C@H](C)[NH+]2C[C@H](C)N(CC#N)[C@@H](C)C2)c1 ZINC000602857120 568002617 /nfs/dbraw/zinc/00/26/17/568002617.db2.gz PHRSNEQMARAPGB-JYJNAYRXSA-N 1 2 372.469 2.027 20 30 FEEDLO C[C@H](Oc1ccccc1C#N)C(=O)NCC1CC[NH+](CC(F)F)CC1 ZINC000568530523 568047154 /nfs/dbraw/zinc/04/71/54/568047154.db2.gz PUDHCJQBFHZMHB-ZDUSSCGKSA-N 1 2 351.397 2.419 20 30 FEEDLO CC(C)(C)c1nnc(C[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)s1 ZINC000568990355 568260415 /nfs/dbraw/zinc/26/04/15/568260415.db2.gz BIBPAZFZYKDSGL-UHFFFAOYSA-N 1 2 364.496 2.271 20 30 FEEDLO CC[N@@H+]1CCc2nc(NS(=O)(=O)c3ccc(C#N)c(F)c3)sc2C1 ZINC000569065748 568291876 /nfs/dbraw/zinc/29/18/76/568291876.db2.gz OVNKABXYGSULSC-UHFFFAOYSA-N 1 2 366.443 2.333 20 30 FEEDLO CC[N@H+]1CCc2nc(NS(=O)(=O)c3ccc(C#N)c(F)c3)sc2C1 ZINC000569065748 568291879 /nfs/dbraw/zinc/29/18/79/568291879.db2.gz OVNKABXYGSULSC-UHFFFAOYSA-N 1 2 366.443 2.333 20 30 FEEDLO C[C@@H]1C[C@@H]1c1ccc(CCC(=O)N(CCC#N)CC[NH+]2CCOCC2)o1 ZINC000604538443 568309183 /nfs/dbraw/zinc/30/91/83/568309183.db2.gz NFQVNEADIBCPEK-AEFFLSMTSA-N 1 2 359.470 2.410 20 30 FEEDLO CC(C)[C@H](C#N)N1CC[NH+](CC(=O)N[C@@H]2CCCc3ccccc32)CC1 ZINC000609486247 568346258 /nfs/dbraw/zinc/34/62/58/568346258.db2.gz GRWHYFLSFUXWEO-UXHICEINSA-N 1 2 354.498 2.346 20 30 FEEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000569353355 568395794 /nfs/dbraw/zinc/39/57/94/568395794.db2.gz QBHKPFRPMNVPPE-KTAKPFMOSA-N 1 2 353.426 2.361 20 30 FEEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000569353355 568395795 /nfs/dbraw/zinc/39/57/95/568395795.db2.gz QBHKPFRPMNVPPE-KTAKPFMOSA-N 1 2 353.426 2.361 20 30 FEEDLO COc1ccc(C#N)cc1C[N@@H+]1CCN(C)[C@@H](c2nc(C3CC3)no2)C1 ZINC000582860700 570766277 /nfs/dbraw/zinc/76/62/77/570766277.db2.gz NXEOSMZCMIJFBK-MRXNPFEDSA-N 1 2 353.426 2.316 20 30 FEEDLO COc1ccc(C#N)cc1C[N@H+]1CCN(C)[C@@H](c2nc(C3CC3)no2)C1 ZINC000582860700 570766278 /nfs/dbraw/zinc/76/62/78/570766278.db2.gz NXEOSMZCMIJFBK-MRXNPFEDSA-N 1 2 353.426 2.316 20 30 FEEDLO CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1)C(=O)C1(C#N)CCOCC1 ZINC000548681704 571273076 /nfs/dbraw/zinc/27/30/76/571273076.db2.gz LTNCJDVODWXDOL-GJZGRUSLSA-N 1 2 365.474 2.439 20 30 FEEDLO CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1)C(=O)C1(C#N)CCOCC1 ZINC000548681704 571273078 /nfs/dbraw/zinc/27/30/78/571273078.db2.gz LTNCJDVODWXDOL-GJZGRUSLSA-N 1 2 365.474 2.439 20 30 FEEDLO COc1ccc(CNc2c(-c3nn[nH]n3)c[nH+]c3ccccc32)cc1C#N ZINC000826203417 607559307 /nfs/dbraw/zinc/55/93/07/607559307.db2.gz NBOXAYWGYMGNFM-UHFFFAOYSA-N 1 2 357.377 2.329 20 30 FEEDLO CC1(C#N)CC[NH+](Cc2nnc(-c3ccc(-c4nn[nH]n4)cc3)o2)CC1 ZINC000824777943 609142526 /nfs/dbraw/zinc/14/25/26/609142526.db2.gz LOTODQKMNYJTEZ-UHFFFAOYSA-N 1 2 350.386 2.042 20 30 FEEDLO C=CCn1c(=S)n(CN2CCn3c[nH+]cc3C2)nc1-c1cccnc1 ZINC000811787629 674627425 /nfs/dbraw/zinc/62/74/25/674627425.db2.gz NLCJUBPBNARENY-UHFFFAOYSA-N 1 2 353.455 2.332 20 30 FEEDLO Cc1[nH+]ccn1-c1ccc(NS(=O)(=O)c2cccc(CC#N)c2)cn1 ZINC000811822789 674631307 /nfs/dbraw/zinc/63/13/07/674631307.db2.gz MMCMCPIFQLELMP-UHFFFAOYSA-N 1 2 353.407 2.443 20 30 FEEDLO Cc1sc(NC(=O)C[NH+]2CCC(O[C@H]3CCOC3)CC2)c(C#N)c1C ZINC000562342942 674743836 /nfs/dbraw/zinc/74/38/36/674743836.db2.gz NZXGOPYCJYTBKL-HNNXBMFYSA-N 1 2 363.483 2.445 20 30 FEEDLO CC(=O)NCC[N@@H+](C)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000563083494 674847557 /nfs/dbraw/zinc/84/75/57/674847557.db2.gz OGQNEXHFZGUHEC-GFCCVEGCSA-N 1 2 362.499 2.284 20 30 FEEDLO CC(=O)NCC[N@H+](C)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000563083494 674847558 /nfs/dbraw/zinc/84/75/58/674847558.db2.gz OGQNEXHFZGUHEC-GFCCVEGCSA-N 1 2 362.499 2.284 20 30 FEEDLO COc1ccc(Br)c(CN[NH+]=Cc2cnc(N(C)C)nc2)c1 ZINC000814911843 674887230 /nfs/dbraw/zinc/88/72/30/674887230.db2.gz FOUAZUFGGUJWGF-UHFFFAOYSA-N 1 2 364.247 2.437 20 30 FEEDLO CN(C(=O)[C@@H]1C[C@H]1C1CCC1)[C@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001047560229 674960198 /nfs/dbraw/zinc/96/01/98/674960198.db2.gz CCPIDNSLEKTZPB-MHORFTMASA-N 1 2 359.495 2.059 20 30 FEEDLO CN(C(=O)[C@@H]1C[C@H]1C1CCC1)[C@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001047560229 674960201 /nfs/dbraw/zinc/96/02/01/674960201.db2.gz CCPIDNSLEKTZPB-MHORFTMASA-N 1 2 359.495 2.059 20 30 FEEDLO CC[C@@H]1[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CCN1c1ncc(C#N)cc1Cl ZINC001048796717 675014906 /nfs/dbraw/zinc/01/49/06/675014906.db2.gz CPHRVOBZFYIXRQ-UONOGXRCSA-N 1 2 358.833 2.046 20 30 FEEDLO COc1cc(C#N)ccc1OCC[NH+]1CCN(C2=NC[C@H](C)S2)CC1 ZINC000079496963 670606245 /nfs/dbraw/zinc/60/62/45/670606245.db2.gz UTZVYHOKAMVBKU-AWEZNQCLSA-N 1 2 360.483 2.055 20 30 FEEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC000572396014 670996833 /nfs/dbraw/zinc/99/68/33/670996833.db2.gz ZQEOCXPJDZVHCO-AWEZNQCLSA-N 1 2 356.455 2.169 20 30 FEEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@H](n2ccnn2)C1 ZINC000572396014 670996835 /nfs/dbraw/zinc/99/68/35/670996835.db2.gz ZQEOCXPJDZVHCO-AWEZNQCLSA-N 1 2 356.455 2.169 20 30 FEEDLO N#Cc1cc(Br)cnc1N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000576193688 671350112 /nfs/dbraw/zinc/35/01/12/671350112.db2.gz STMRBGKZLRJWAO-HNNXBMFYSA-N 1 2 365.275 2.407 20 30 FEEDLO N#Cc1cc(S(=O)(=O)N2CCC[C@H](n3cc[nH+]c3)C2)ccc1Cl ZINC000609134744 675911285 /nfs/dbraw/zinc/91/12/85/675911285.db2.gz PBQWORZEJPMWKV-ZDUSSCGKSA-N 1 2 350.831 2.434 20 30 FEEDLO C=C[C@@H]1CCCCN1C(=O)NCC1([NH+]2CCOCC2)CC(OCC)C1 ZINC000582778802 672033191 /nfs/dbraw/zinc/03/31/91/672033191.db2.gz HZQBSOOSDHFCNP-LRYGQEGESA-N 1 2 351.491 2.006 20 30 FEEDLO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592149145 672764349 /nfs/dbraw/zinc/76/43/49/672764349.db2.gz JMAGKRBAJASUCQ-MRXNPFEDSA-N 1 2 356.253 2.302 20 30 FEEDLO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592149145 672764353 /nfs/dbraw/zinc/76/43/53/672764353.db2.gz JMAGKRBAJASUCQ-MRXNPFEDSA-N 1 2 356.253 2.302 20 30 FEEDLO N#CC[C@]1(O)CC[N@@H+]([C@@H]2CCN(c3ccccc3C(F)(F)F)C2=O)C1 ZINC000592151793 672764884 /nfs/dbraw/zinc/76/48/84/672764884.db2.gz PVDOKAODFKDSGN-ZBFHGGJFSA-N 1 2 353.344 2.161 20 30 FEEDLO N#CC[C@]1(O)CC[N@H+]([C@@H]2CCN(c3ccccc3C(F)(F)F)C2=O)C1 ZINC000592151793 672764885 /nfs/dbraw/zinc/76/48/85/672764885.db2.gz PVDOKAODFKDSGN-ZBFHGGJFSA-N 1 2 353.344 2.161 20 30 FEEDLO CC[C@H]1C[N@H+](CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)CCS1 ZINC000247510486 672850974 /nfs/dbraw/zinc/85/09/74/672850974.db2.gz YOVASAFJTVFIBY-YJBOKZPZSA-N 1 2 358.467 2.110 20 30 FEEDLO CC[C@H]1C[N@@H+](CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)CCS1 ZINC000247510486 672850977 /nfs/dbraw/zinc/85/09/77/672850977.db2.gz YOVASAFJTVFIBY-YJBOKZPZSA-N 1 2 358.467 2.110 20 30 FEEDLO N#Cc1ccc(Cl)cc1NC(=O)C[NH+]1CCC(Cn2cnnc2)CC1 ZINC000593075963 672872480 /nfs/dbraw/zinc/87/24/80/672872480.db2.gz KJQRKTDPTOLSMD-UHFFFAOYSA-N 1 2 358.833 2.154 20 30 FEEDLO CCN(CC)c1ccc(C=[NH+]Nc2ccc(S(N)(=O)=O)cc2)c(O)c1 ZINC000249828099 672875040 /nfs/dbraw/zinc/87/50/40/672875040.db2.gz NWZOOULQKHWLKP-UHFFFAOYSA-N 1 2 362.455 2.332 20 30 FEEDLO CCC(=O)N1CSC[C@H]1C(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000328875965 673068363 /nfs/dbraw/zinc/06/83/63/673068363.db2.gz JZQFIXAMEXJRTR-INIZCTEOSA-N 1 2 363.483 2.418 20 30 FEEDLO O=C(CN1CC[C@H]([NH+]2CCOCC2)C1)Nc1nc2c(s1)CCCC2 ZINC000329673387 673081297 /nfs/dbraw/zinc/08/12/97/673081297.db2.gz SUIATYYTWBGFDJ-ZDUSSCGKSA-N 1 2 350.488 2.016 20 30 FEEDLO CCc1nc(CON=C(N)c2ccc(C[NH+]3CCOCC3)cc2)cs1 ZINC000725792679 673091027 /nfs/dbraw/zinc/09/10/27/673091027.db2.gz OBLLMBQANARDKW-UHFFFAOYSA-N 1 2 360.483 2.375 20 30 FEEDLO C=CC[C@H](CO)CNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000537111537 673383010 /nfs/dbraw/zinc/38/30/10/673383010.db2.gz BJARSQDWDYFZDD-VUCTXSBTSA-N 1 2 353.413 2.194 20 30 FEEDLO C=CC[C@H](CO)CNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000537111537 673383012 /nfs/dbraw/zinc/38/30/12/673383012.db2.gz BJARSQDWDYFZDD-VUCTXSBTSA-N 1 2 353.413 2.194 20 30 FEEDLO COc1cc(C[N@H+](C[C@@H](C)C#N)C2CC2)cc(Cl)c1OCC(N)=O ZINC000538764007 673457277 /nfs/dbraw/zinc/45/72/77/673457277.db2.gz HWRZOSMCCNCEPX-NSHDSACASA-N 1 2 351.834 2.337 20 30 FEEDLO COc1cc(C[N@@H+](C[C@@H](C)C#N)C2CC2)cc(Cl)c1OCC(N)=O ZINC000538764007 673457279 /nfs/dbraw/zinc/45/72/79/673457279.db2.gz HWRZOSMCCNCEPX-NSHDSACASA-N 1 2 351.834 2.337 20 30 FEEDLO CC1(C)C[N@H+](C[C@@H](O)CC2(C#N)CCOCC2)C[C@@H](C(F)(F)F)O1 ZINC000599425377 673674350 /nfs/dbraw/zinc/67/43/50/673674350.db2.gz DLSFSFCAYGBYQE-STQMWFEESA-N 1 2 350.381 2.099 20 30 FEEDLO CC1(C)C[N@@H+](C[C@@H](O)CC2(C#N)CCOCC2)C[C@@H](C(F)(F)F)O1 ZINC000599425377 673674352 /nfs/dbraw/zinc/67/43/52/673674352.db2.gz DLSFSFCAYGBYQE-STQMWFEESA-N 1 2 350.381 2.099 20 30 FEEDLO COC(=O)[C@]1([NH2+]C[C@H](O)CC2(C#N)CCOCC2)CCCC(C)(C)C1 ZINC000599556610 673691390 /nfs/dbraw/zinc/69/13/90/673691390.db2.gz OFYXXGWNSAYTCP-BEFAXECRSA-N 1 2 352.475 2.159 20 30 FEEDLO Cc1nc(C)c(CON=C(N)c2ccc(C[NH+]3CCOCC3)cc2)s1 ZINC000742356533 673725229 /nfs/dbraw/zinc/72/52/29/673725229.db2.gz DCRWUXFQNADMBB-UHFFFAOYSA-N 1 2 360.483 2.429 20 30 FEEDLO Cc1cc(C#N)cnc1C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000601853697 673898962 /nfs/dbraw/zinc/89/89/62/673898962.db2.gz CDHDOXCPROCYGW-UHFFFAOYSA-N 1 2 353.451 2.140 20 30 FEEDLO C[N@@H+]1CC[C@H](NC(=O)N2CC[C@](F)(C#N)C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000615547688 676219105 /nfs/dbraw/zinc/21/91/05/676219105.db2.gz VVOZGQIHIVWVJR-ZOBUZTSGSA-N 1 2 352.360 2.357 20 30 FEEDLO C[N@H+]1CC[C@H](NC(=O)N2CC[C@](F)(C#N)C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000615547688 676219107 /nfs/dbraw/zinc/21/91/07/676219107.db2.gz VVOZGQIHIVWVJR-ZOBUZTSGSA-N 1 2 352.360 2.357 20 30 FEEDLO C=CC[C@@H]1CC[N@H+](CC(=O)N([C@H]2CCS(=O)(=O)C2)C2CCCCC2)C1 ZINC000625701650 676669338 /nfs/dbraw/zinc/66/93/38/676669338.db2.gz BCXIXQRFEIRQQK-AEFFLSMTSA-N 1 2 368.543 2.233 20 30 FEEDLO C=CC[C@@H]1CC[N@@H+](CC(=O)N([C@H]2CCS(=O)(=O)C2)C2CCCCC2)C1 ZINC000625701650 676669339 /nfs/dbraw/zinc/66/93/39/676669339.db2.gz BCXIXQRFEIRQQK-AEFFLSMTSA-N 1 2 368.543 2.233 20 30 FEEDLO C=CC[N@@H+]([C@@H]1CCc2cc(OC)c(OC)cc21)[C@H]1CCS(=O)(=O)C1 ZINC000637961890 677136947 /nfs/dbraw/zinc/13/69/47/677136947.db2.gz FUDGOQXIOWMIPM-GOEBONIOSA-N 1 2 351.468 2.366 20 30 FEEDLO C=CC[N@H+]([C@@H]1CCc2cc(OC)c(OC)cc21)[C@H]1CCS(=O)(=O)C1 ZINC000637961890 677136948 /nfs/dbraw/zinc/13/69/48/677136948.db2.gz FUDGOQXIOWMIPM-GOEBONIOSA-N 1 2 351.468 2.366 20 30 FEEDLO CC#CC[NH2+]Cc1cn([C@H](C)C(=O)N2CCSc3ccccc32)nn1 ZINC000640923527 677191831 /nfs/dbraw/zinc/19/18/31/677191831.db2.gz JZZALXXOHUEIQD-CQSZACIVSA-N 1 2 355.467 2.091 20 30 FEEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)n1cc(Cn2cc[nH+]c2)nn1 ZINC000640930932 677191985 /nfs/dbraw/zinc/19/19/85/677191985.db2.gz WNYBVYCFVWBFBM-CQSZACIVSA-N 1 2 356.455 2.360 20 30 FEEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)nn1 ZINC000641109709 677194540 /nfs/dbraw/zinc/19/45/40/677194540.db2.gz JIWZQNSQFJLTSR-INIZCTEOSA-N 1 2 361.808 2.162 20 30 FEEDLO C#C[C@@H]1COCCN1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000838536002 680699391 /nfs/dbraw/zinc/69/93/91/680699391.db2.gz OYDPEKGCHDPUQZ-XYPHTWIQSA-N 1 2 365.836 2.268 20 30 FEEDLO C#C[C@@H]1COCCN1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000838536002 680699393 /nfs/dbraw/zinc/69/93/93/680699393.db2.gz OYDPEKGCHDPUQZ-XYPHTWIQSA-N 1 2 365.836 2.268 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@]12CCC[C@@H]1[N@H+](Cc1nnc(C)s1)CC2 ZINC000992184062 680095239 /nfs/dbraw/zinc/09/52/39/680095239.db2.gz VXFWGHGOFMMUAM-LLDVTBCESA-N 1 2 362.499 2.051 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@]12CCC[C@@H]1[N@@H+](Cc1nnc(C)s1)CC2 ZINC000992184062 680095244 /nfs/dbraw/zinc/09/52/44/680095244.db2.gz VXFWGHGOFMMUAM-LLDVTBCESA-N 1 2 362.499 2.051 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1Cc1snnc1C ZINC001024443642 680289911 /nfs/dbraw/zinc/28/99/11/680289911.db2.gz NWHVVCQVWRTYOA-OAGGEKHMSA-N 1 2 364.515 2.298 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1snnc1C ZINC001024443642 680289913 /nfs/dbraw/zinc/28/99/13/680289913.db2.gz NWHVVCQVWRTYOA-OAGGEKHMSA-N 1 2 364.515 2.298 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1Cc1csnc1OC ZINC001024661862 680299351 /nfs/dbraw/zinc/29/93/51/680299351.db2.gz PVAALKWUZYWMRC-OAGGEKHMSA-N 1 2 365.499 2.214 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1csnc1OC ZINC001024661862 680299352 /nfs/dbraw/zinc/29/93/52/680299352.db2.gz PVAALKWUZYWMRC-OAGGEKHMSA-N 1 2 365.499 2.214 20 30 FEEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001027499154 680358922 /nfs/dbraw/zinc/35/89/22/680358922.db2.gz XJKZMYIUSREVGP-RDGWLKQMSA-N 1 2 369.303 2.241 20 30 FEEDLO C=C(Br)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001027499154 680358928 /nfs/dbraw/zinc/35/89/28/680358928.db2.gz XJKZMYIUSREVGP-RDGWLKQMSA-N 1 2 369.303 2.241 20 30 FEEDLO C=C(Br)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001027499153 680359047 /nfs/dbraw/zinc/35/90/47/680359047.db2.gz XJKZMYIUSREVGP-AYCBFJCHSA-N 1 2 369.303 2.241 20 30 FEEDLO C=C(Br)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001027499153 680359053 /nfs/dbraw/zinc/35/90/53/680359053.db2.gz XJKZMYIUSREVGP-AYCBFJCHSA-N 1 2 369.303 2.241 20 30 FEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CN(c2ccccn2)C[C@H]1C ZINC001027889313 680362238 /nfs/dbraw/zinc/36/22/38/680362238.db2.gz PYZLPERGAILZQF-DJIMGWMZSA-N 1 2 362.905 2.487 20 30 FEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CN(c2ccccn2)C[C@H]1C ZINC001027889313 680362241 /nfs/dbraw/zinc/36/22/41/680362241.db2.gz PYZLPERGAILZQF-DJIMGWMZSA-N 1 2 362.905 2.487 20 30 FEEDLO O=C(NC1CN(CC#Cc2ccc(Cl)cc2)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001030470176 680399055 /nfs/dbraw/zinc/39/90/55/680399055.db2.gz ZIABABJSOXBKRE-IAGOWNOFSA-N 1 2 354.841 2.019 20 30 FEEDLO O=C(NC1CN(CC#Cc2ccc(Cl)cc2)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001030470176 680399059 /nfs/dbraw/zinc/39/90/59/680399059.db2.gz ZIABABJSOXBKRE-IAGOWNOFSA-N 1 2 354.841 2.019 20 30 FEEDLO C=C(Cl)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001032409562 680412489 /nfs/dbraw/zinc/41/24/89/680412489.db2.gz SPDDOWCJDPHESP-BSWAZPDLSA-N 1 2 360.889 2.192 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC2(C[NH+](Cc3csc(C)n3)C2)CC1 ZINC001035800128 680452225 /nfs/dbraw/zinc/45/22/25/680452225.db2.gz VAAXNQZYVLBDMQ-SJORKVTESA-N 1 2 361.511 2.467 20 30 FEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC([N@H+](C)Cc2csnn2)CC1 ZINC000985692927 680470671 /nfs/dbraw/zinc/47/06/71/680470671.db2.gz PZULJPLFFQOOIZ-IRXDYDNUSA-N 1 2 364.515 2.332 20 30 FEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC([N@@H+](C)Cc2csnn2)CC1 ZINC000985692927 680470675 /nfs/dbraw/zinc/47/06/75/680470675.db2.gz PZULJPLFFQOOIZ-IRXDYDNUSA-N 1 2 364.515 2.332 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@]1(C)CC[N@@H+](Cc2csnc2OC)C1 ZINC001046327947 680645742 /nfs/dbraw/zinc/64/57/42/680645742.db2.gz SXDOAVPVBZEKEG-RVKKMQEKSA-N 1 2 365.499 2.214 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@]1(C)CC[N@H+](Cc2csnc2OC)C1 ZINC001046327947 680645744 /nfs/dbraw/zinc/64/57/44/680645744.db2.gz SXDOAVPVBZEKEG-RVKKMQEKSA-N 1 2 365.499 2.214 20 30 FEEDLO C#CCN1CCN(C(=O)C[N@H+]2CC=C(c3ccccc3Cl)CC2)CC1 ZINC000768789871 680958241 /nfs/dbraw/zinc/95/82/41/680958241.db2.gz AFMHWQBLMHAUEI-UHFFFAOYSA-N 1 2 357.885 2.207 20 30 FEEDLO C#CCN1CCN(C(=O)C[N@@H+]2CC=C(c3ccccc3Cl)CC2)CC1 ZINC000768789871 680958243 /nfs/dbraw/zinc/95/82/43/680958243.db2.gz AFMHWQBLMHAUEI-UHFFFAOYSA-N 1 2 357.885 2.207 20 30 FEEDLO C[N@H+](CC(=O)OCC(=O)Nc1ccc(C#N)c(Cl)c1)[C@H]1CCSC1 ZINC000772035380 681079561 /nfs/dbraw/zinc/07/95/61/681079561.db2.gz GNKJHTBCNGXJCC-ZDUSSCGKSA-N 1 2 367.858 2.131 20 30 FEEDLO C[N@@H+](CC(=O)OCC(=O)Nc1ccc(C#N)c(Cl)c1)[C@H]1CCSC1 ZINC000772035380 681079564 /nfs/dbraw/zinc/07/95/64/681079564.db2.gz GNKJHTBCNGXJCC-ZDUSSCGKSA-N 1 2 367.858 2.131 20 30 FEEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCCC[C@H]1C(F)(F)F)CO2 ZINC001053832190 681104219 /nfs/dbraw/zinc/10/42/19/681104219.db2.gz CMMHRYNQKTWPCY-RRFJBIMHSA-N 1 2 358.404 2.338 20 30 FEEDLO C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1CNc1nc(Cl)c(C#N)s1 ZINC001054418035 681107962 /nfs/dbraw/zinc/10/79/62/681107962.db2.gz IJJYHZIMNLLORG-GHMZBOCLSA-N 1 2 364.862 2.071 20 30 FEEDLO Cn1ccc(C2CC[NH+]([C@@H]3CCN(c4sccc4C#N)C3=O)CC2)n1 ZINC000932144540 681183856 /nfs/dbraw/zinc/18/38/56/681183856.db2.gz UEUGXLGFNNZNGZ-MRXNPFEDSA-N 1 2 355.467 2.338 20 30 FEEDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)N[C@@H](CC#N)C(F)(F)F)CC1 ZINC000932919406 681328383 /nfs/dbraw/zinc/32/83/83/681328383.db2.gz HZBQPBBWVOGTDJ-OCCSQVGLSA-N 1 2 355.364 2.314 20 30 FEEDLO O=C(C[NH+]1CCC2(CC1)CC(=O)C=CO2)N1CCSc2ccccc21 ZINC000933653384 681446223 /nfs/dbraw/zinc/44/62/23/681446223.db2.gz DVYSOPRNOUCTOZ-UHFFFAOYSA-N 1 2 358.463 2.463 20 30 FEEDLO C=C(Br)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC000961031359 682078426 /nfs/dbraw/zinc/07/84/26/682078426.db2.gz BHWJBOFCZHCACX-ZVDSWSACSA-N 1 2 369.303 2.004 20 30 FEEDLO C=C(Br)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC000961031359 682078433 /nfs/dbraw/zinc/07/84/33/682078433.db2.gz BHWJBOFCZHCACX-ZVDSWSACSA-N 1 2 369.303 2.004 20 30 FEEDLO NC(=[NH+]OCC(=O)NCc1ccccc1)c1ccc(Br)cc1 ZINC000782949179 682097852 /nfs/dbraw/zinc/09/78/52/682097852.db2.gz QQEMALNWJYONJP-UHFFFAOYSA-N 1 2 362.227 2.402 20 30 FEEDLO C#CCC[N@@H+](C)Cc1cccc(Br)c1OCCS(C)(=O)=O ZINC000785528620 682306871 /nfs/dbraw/zinc/30/68/71/682306871.db2.gz HTJSTLSDBGMEBP-UHFFFAOYSA-N 1 2 374.300 2.328 20 30 FEEDLO C#CCC[N@H+](C)Cc1cccc(Br)c1OCCS(C)(=O)=O ZINC000785528620 682306874 /nfs/dbraw/zinc/30/68/74/682306874.db2.gz HTJSTLSDBGMEBP-UHFFFAOYSA-N 1 2 374.300 2.328 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](C)C1C[NH+](Cc2cc(OC)ns2)C1 ZINC000970570246 682307911 /nfs/dbraw/zinc/30/79/11/682307911.db2.gz IHWPHAYNDQJYEK-PVUWLOKVSA-N 1 2 365.499 2.069 20 30 FEEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 ZINC000971964718 682383175 /nfs/dbraw/zinc/38/31/75/682383175.db2.gz ROISKOJJRYUUOP-ZQDZILKHSA-N 1 2 357.292 2.243 20 30 FEEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 ZINC000971964718 682383179 /nfs/dbraw/zinc/38/31/79/682383179.db2.gz ROISKOJJRYUUOP-ZQDZILKHSA-N 1 2 357.292 2.243 20 30 FEEDLO C=C(Cl)C(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C1 ZINC000971961293 682383404 /nfs/dbraw/zinc/38/34/04/682383404.db2.gz RKOADQNDBQPPJG-ZIAGYGMSSA-N 1 2 364.877 2.180 20 30 FEEDLO Cc1[nH+]cc(C=NN2C(=S)N=NC2[C@H]2COc3ccccc3O2)n1C ZINC000853271201 682400542 /nfs/dbraw/zinc/40/05/42/682400542.db2.gz CGDUWECXCRFJOD-CQSZACIVSA-N 1 2 356.411 2.003 20 30 FEEDLO COc1cc(C=NNc2[nH+]ccn2C)cc(I)c1O ZINC000790302087 682666532 /nfs/dbraw/zinc/66/65/32/682666532.db2.gz MSNNTFOMBWAHGH-UHFFFAOYSA-N 1 2 372.166 2.185 20 30 FEEDLO C=CCN1CC[C@@H]([N@H+]2CCN(C(=O)OC(C)(C)C)C[C@H]2C(C)C)C1=O ZINC000859480778 683116977 /nfs/dbraw/zinc/11/69/77/683116977.db2.gz OVIRFRFIIVPVCC-CVEARBPZSA-N 1 2 351.491 2.351 20 30 FEEDLO C=CCN1CC[C@@H]([N@@H+]2CCN(C(=O)OC(C)(C)C)C[C@H]2C(C)C)C1=O ZINC000859480778 683116980 /nfs/dbraw/zinc/11/69/80/683116980.db2.gz OVIRFRFIIVPVCC-CVEARBPZSA-N 1 2 351.491 2.351 20 30 FEEDLO N#CCc1cccc(S(=O)(=O)N2CCC(Nc3cccc[nH+]3)CC2)c1 ZINC000920615638 683355776 /nfs/dbraw/zinc/35/57/76/683355776.db2.gz MYDCNVZVJYDRGH-UHFFFAOYSA-N 1 2 356.451 2.413 20 30 FEEDLO C[NH+](C)Cc1csc(CNS(=O)(=O)c2ccc(CCC#N)cc2)n1 ZINC000921084313 683393668 /nfs/dbraw/zinc/39/36/68/683393668.db2.gz VUNCTMDGAIAWJN-UHFFFAOYSA-N 1 2 364.496 2.139 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)c(Cl)c1 ZINC000921321677 683422956 /nfs/dbraw/zinc/42/29/56/683422956.db2.gz ILBGJEOIGDGOQK-KGLIPLIRSA-N 1 2 371.915 2.070 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)N[C@@H]2CCC[N@H+]3CCSC[C@@H]23)c(Cl)c1 ZINC000921321677 683422961 /nfs/dbraw/zinc/42/29/61/683422961.db2.gz ILBGJEOIGDGOQK-KGLIPLIRSA-N 1 2 371.915 2.070 20 30 FEEDLO Cn1cc(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c(Br)n1 ZINC000862372890 683579164 /nfs/dbraw/zinc/57/91/64/683579164.db2.gz ALWVDDNHSVWNMV-ZDUSSCGKSA-N 1 2 362.231 2.103 20 30 FEEDLO Cn1cc(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c(Br)n1 ZINC000862372890 683579168 /nfs/dbraw/zinc/57/91/68/683579168.db2.gz ALWVDDNHSVWNMV-ZDUSSCGKSA-N 1 2 362.231 2.103 20 30 FEEDLO C[C@@H](c1ccc(Br)cc1)N1CC[NH+](C[C@H](O)CC#N)CC1 ZINC000929717449 683629680 /nfs/dbraw/zinc/62/96/80/683629680.db2.gz GTZWYBVNUGTUIJ-XJKSGUPXSA-N 1 2 352.276 2.402 20 30 FEEDLO N#C[C@H](NC(=O)/C=C/C[NH+]1CCOCC1)c1ccccc1Br ZINC000865832427 684034684 /nfs/dbraw/zinc/03/46/84/684034684.db2.gz QCHJOEOLWJILRL-VFQAQYNWSA-N 1 2 364.243 2.018 20 30 FEEDLO C=CC[C@H]1CCCC[C@@H]1NC(=O)C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000931669630 684325078 /nfs/dbraw/zinc/32/50/78/684325078.db2.gz XOZBIKUDXWMQLZ-ZFWWWQNUSA-N 1 2 364.515 2.072 20 30 FEEDLO CC[C@@H]([NH2+]C1CCN(S(=O)(=O)CC)CC1)c1cccc(C#N)c1O ZINC000924631511 684476382 /nfs/dbraw/zinc/47/63/82/684476382.db2.gz HHYCNNRKFQJSND-MRXNPFEDSA-N 1 2 351.472 2.119 20 30 FEEDLO N#Cc1ccc2ccccc2c1OS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000872661015 684999211 /nfs/dbraw/zinc/99/92/11/684999211.db2.gz DEMBCDGHOJOMLJ-UHFFFAOYSA-N 1 2 360.435 2.142 20 30 FEEDLO COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCC[N@@H+]1C[C@H](C)CCC#N ZINC000877524300 686401436 /nfs/dbraw/zinc/40/14/36/686401436.db2.gz UNZWSLJTIUCJNR-CABCVRRESA-N 1 2 353.463 2.411 20 30 FEEDLO COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCC[N@H+]1C[C@H](C)CCC#N ZINC000877524300 686401441 /nfs/dbraw/zinc/40/14/41/686401441.db2.gz UNZWSLJTIUCJNR-CABCVRRESA-N 1 2 353.463 2.411 20 30 FEEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC([C@@H](F)C(N)=O)CC1 ZINC000879044289 686723914 /nfs/dbraw/zinc/72/39/14/686723914.db2.gz LBRATEGNOKGXLE-ZUZCIYMTSA-N 1 2 366.824 2.074 20 30 FEEDLO CC(C)CC(=O)N1CCC[N@@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000879758777 686902101 /nfs/dbraw/zinc/90/21/01/686902101.db2.gz ZQSASHYJNQEVAD-VQIMIIECSA-N 1 2 350.507 2.010 20 30 FEEDLO CC(C)CC(=O)N1CCC[N@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000879758777 686902104 /nfs/dbraw/zinc/90/21/04/686902104.db2.gz ZQSASHYJNQEVAD-VQIMIIECSA-N 1 2 350.507 2.010 20 30 FEEDLO C[C@@]1(NC(=O)C(F)(F)F)CC[N@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000879763566 686903520 /nfs/dbraw/zinc/90/35/20/686903520.db2.gz OZZGESRIGBPPQP-CQSZACIVSA-N 1 2 374.388 2.091 20 30 FEEDLO C[C@@]1(NC(=O)C(F)(F)F)CC[N@@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000879763566 686903529 /nfs/dbraw/zinc/90/35/29/686903529.db2.gz OZZGESRIGBPPQP-CQSZACIVSA-N 1 2 374.388 2.091 20 30 FEEDLO C=CCSc1ccccc1NC(=O)C[NH+]1CCC(C(=O)NOC)CC1 ZINC000879923171 686946960 /nfs/dbraw/zinc/94/69/60/686946960.db2.gz SUEUIHZZKSHCTL-UHFFFAOYSA-N 1 2 363.483 2.293 20 30 FEEDLO Cc1nc(C#N)cc(N2CC[NH+]([C@H](CO)c3ccc(Cl)cc3)CC2)n1 ZINC000881975934 687275682 /nfs/dbraw/zinc/27/56/82/687275682.db2.gz RXRJPGUETKLXFG-QGZVFWFLSA-N 1 2 357.845 2.166 20 30 FEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1ccc(Br)cc1CC ZINC000884085168 687785113 /nfs/dbraw/zinc/78/51/13/687785113.db2.gz NWKHODTVISLMFP-LBPRGKRZSA-N 1 2 355.232 2.397 20 30 FEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCc2cc(Cl)cc(Cl)c2C1 ZINC000884164872 687805685 /nfs/dbraw/zinc/80/56/85/687805685.db2.gz SIWQPHMYZJFDGT-AWEZNQCLSA-N 1 2 357.237 2.325 20 30 FEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC(c2ccc(Cl)cc2)CC1 ZINC000884310650 687843948 /nfs/dbraw/zinc/84/39/48/687843948.db2.gz DLXLKHNDDUMBOJ-INIZCTEOSA-N 1 2 350.846 2.493 20 30 FEEDLO CSc1ccc(CNC(=O)N(C)[C@H](C)C[NH+]2CCOCC2)cc1C#N ZINC000890450703 688922111 /nfs/dbraw/zinc/92/21/11/688922111.db2.gz IPMCBJUBOKTBEX-CQSZACIVSA-N 1 2 362.499 2.142 20 30 FEEDLO CO[C@@H](C)c1noc(CN2CCC[N@H+](Cc3csc(C#N)c3)CC2)n1 ZINC000892213074 689165950 /nfs/dbraw/zinc/16/59/50/689165950.db2.gz VVQKFCYXWLIKAS-ZDUSSCGKSA-N 1 2 361.471 2.418 20 30 FEEDLO CO[C@@H](C)c1noc(CN2CCC[N@@H+](Cc3csc(C#N)c3)CC2)n1 ZINC000892213074 689165954 /nfs/dbraw/zinc/16/59/54/689165954.db2.gz VVQKFCYXWLIKAS-ZDUSSCGKSA-N 1 2 361.471 2.418 20 30 FEEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CC[C@H](Nc3ncccn3)C2)cc1Cl ZINC000903025428 690833640 /nfs/dbraw/zinc/83/36/40/690833640.db2.gz CQWRPCHZYYQONY-AWEZNQCLSA-N 1 2 356.817 2.127 20 30 FEEDLO N#Cc1ccc(NC(=O)C[N@H+]2CC[C@H](Nc3ncccn3)C2)cc1Cl ZINC000903025428 690833646 /nfs/dbraw/zinc/83/36/46/690833646.db2.gz CQWRPCHZYYQONY-AWEZNQCLSA-N 1 2 356.817 2.127 20 30 FEEDLO C=CCOC(=O)[C@@H]([NH3+])Cc1nc(-c2ccc(Br)c(C)c2)no1 ZINC000904081227 691001672 /nfs/dbraw/zinc/00/16/72/691001672.db2.gz BIQTVASPZUMQEY-LBPRGKRZSA-N 1 2 366.215 2.407 20 30 FEEDLO N#CCN(C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)c1ccc(Cl)cc1 ZINC000905972013 691204501 /nfs/dbraw/zinc/20/45/01/691204501.db2.gz BDYLKMKGSPEUHK-SJORKVTESA-N 1 2 363.845 2.076 20 30 FEEDLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1nc3c(cc1C#N)CCC3)C2 ZINC001165008278 721714205 /nfs/dbraw/zinc/71/42/05/721714205.db2.gz DMIWPPXLXQTSHI-UHFFFAOYSA-N 1 2 365.485 2.284 20 30 FEEDLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1nc3c(cc1C#N)CCC3)C2 ZINC001165008278 721714210 /nfs/dbraw/zinc/71/42/10/721714210.db2.gz DMIWPPXLXQTSHI-UHFFFAOYSA-N 1 2 365.485 2.284 20 30 FEEDLO N#Cc1c(F)cccc1-n1ccc(NC(=O)[C@H]2CCn3c[nH+]cc3C2)n1 ZINC000512139095 808425967 /nfs/dbraw/zinc/42/59/67/808425967.db2.gz OVMDTHWIZJIUPS-LBPRGKRZSA-N 1 2 350.357 2.281 20 30 FEEDLO C=CCOc1ccccc1C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000520187845 819249654 /nfs/dbraw/zinc/24/96/54/819249654.db2.gz IUXVDPBNQIIJHO-UHFFFAOYSA-N 1 2 356.426 2.032 20 30 FEEDLO Cc1cc(NC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)nn1CCC#N ZINC000491836370 888436847 /nfs/dbraw/zinc/43/68/47/888436847.db2.gz AYKNALVVJXMXCL-UHFFFAOYSA-N 1 2 350.386 2.389 20 30 FEEDLO Cn1cc[nH+]c1[C@H](NS(=O)(=O)c1ccc(C#N)cc1)c1ccc(F)cc1 ZINC000016975791 539638576 /nfs/dbraw/zinc/63/85/76/539638576.db2.gz FQKQUTDMMCSSJV-QGZVFWFLSA-N 1 2 370.409 2.499 20 30 FEEDLO N#Cc1ccccc1C[NH+]1CCN(Cc2nc(N)c3ccccc3n2)CC1 ZINC000021414261 539683696 /nfs/dbraw/zinc/68/36/96/539683696.db2.gz SNNULYGCFLPDLH-UHFFFAOYSA-N 1 2 358.449 2.401 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(CC(=O)NCc3ccccc3F)CC2)cc1 ZINC000022848568 539700934 /nfs/dbraw/zinc/70/09/34/539700934.db2.gz ZBEYDIUDXZTHSE-UHFFFAOYSA-N 1 2 366.440 2.131 20 30 FEEDLO CN(Cc1cccs1)C(=O)CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000023258395 539710385 /nfs/dbraw/zinc/71/03/85/539710385.db2.gz VOMUPJUZQHGVOD-UHFFFAOYSA-N 1 2 368.506 2.396 20 30 FEEDLO N#Cc1ccccc1S(=O)(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000024687335 539738818 /nfs/dbraw/zinc/73/88/18/539738818.db2.gz YHQKBAHUGVCUMZ-UHFFFAOYSA-N 1 2 352.419 2.282 20 30 FEEDLO C[N@H+](CC(=O)NCC(=O)Nc1ccc(F)c(F)c1)Cc1cccc(C#N)c1 ZINC000026327151 539783862 /nfs/dbraw/zinc/78/38/62/539783862.db2.gz HEIXGNKKKWPVAF-UHFFFAOYSA-N 1 2 372.375 2.023 20 30 FEEDLO C[N@@H+](CC(=O)NCC(=O)Nc1ccc(F)c(F)c1)Cc1cccc(C#N)c1 ZINC000026327151 539783864 /nfs/dbraw/zinc/78/38/64/539783864.db2.gz HEIXGNKKKWPVAF-UHFFFAOYSA-N 1 2 372.375 2.023 20 30 FEEDLO CCN(C(=O)C[NH+]1CCN(c2cc(C#N)ccn2)CC1)C1CCCCC1 ZINC000029447030 539853713 /nfs/dbraw/zinc/85/37/13/539853713.db2.gz BTHJFNUVPFAALE-UHFFFAOYSA-N 1 2 355.486 2.256 20 30 FEEDLO C[C@@H](C(=O)N1CCC(C)CC1)[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000029857137 539866974 /nfs/dbraw/zinc/86/69/74/539866974.db2.gz IDMBSPMOVKJTSW-INIZCTEOSA-N 1 2 358.461 2.466 20 30 FEEDLO Cc1[nH+]c(C(C)N=Nc2ncnc3c2c(Br)nn3C)cn1C ZINC000800811908 674077856 /nfs/dbraw/zinc/07/78/56/674077856.db2.gz NORRLYUELCQINJ-UHFFFAOYSA-N 1 2 363.223 2.004 20 30 FEEDLO N#Cc1ccc(N2CCCN(C(=O)c3ccc(-n4cc[nH+]c4)nc3)CC2)cc1 ZINC000047137308 540291710 /nfs/dbraw/zinc/29/17/10/540291710.db2.gz RCJIOALSKAIRNT-UHFFFAOYSA-N 1 2 372.432 2.491 20 30 FEEDLO N#Cc1ccc(CNC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC000047826842 540330084 /nfs/dbraw/zinc/33/00/84/540330084.db2.gz XCUMBGQNQQUIGC-FQEVSTJZSA-N 1 2 364.449 2.258 20 30 FEEDLO N#Cc1ccc(CNC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC000047826842 540330088 /nfs/dbraw/zinc/33/00/88/540330088.db2.gz XCUMBGQNQQUIGC-FQEVSTJZSA-N 1 2 364.449 2.258 20 30 FEEDLO C[C@@H](C1CC1)N(C(=O)CN1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CC1 ZINC000051621498 540439555 /nfs/dbraw/zinc/43/95/55/540439555.db2.gz BFSIKMOPCBPINW-KRWDZBQOSA-N 1 2 366.509 2.465 20 30 FEEDLO C[C@@H](C1CC1)N(C(=O)C[NH+]1CCN(Cc2ccc(C#N)cc2)CC1)C1CC1 ZINC000051621498 540439557 /nfs/dbraw/zinc/43/95/57/540439557.db2.gz BFSIKMOPCBPINW-KRWDZBQOSA-N 1 2 366.509 2.465 20 30 FEEDLO C=CC[NH+](CC=C)CC(=O)N1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000051767140 540444262 /nfs/dbraw/zinc/44/42/62/540444262.db2.gz TYICWJCUSBQMSF-UHFFFAOYSA-N 1 2 357.502 2.231 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)CC(=O)N(C)C1CCCCC1 ZINC000052675277 540481189 /nfs/dbraw/zinc/48/11/89/540481189.db2.gz AURWYZDOUAEHDE-BEFAXECRSA-N 1 2 350.507 2.152 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)CC(=O)N(C)C1CCCCC1 ZINC000052675277 540481193 /nfs/dbraw/zinc/48/11/93/540481193.db2.gz AURWYZDOUAEHDE-BEFAXECRSA-N 1 2 350.507 2.152 20 30 FEEDLO C[C@H]1CCCC[C@H]1N(C)C(=O)C[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000052508573 540469689 /nfs/dbraw/zinc/46/96/89/540469689.db2.gz NTMPYFHVUKLZSE-FUHWJXTLSA-N 1 2 355.486 2.112 20 30 FEEDLO CCCCNC(=O)CO[NH+]=C(N)c1cccc(OCc2cccnc2)c1 ZINC000060197472 540869476 /nfs/dbraw/zinc/86/94/76/540869476.db2.gz BAYJJVQODXHRLX-UHFFFAOYSA-N 1 2 356.426 2.214 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCN(c2ccc(Cl)cn2)CC1 ZINC000066869634 541384043 /nfs/dbraw/zinc/38/40/43/541384043.db2.gz PZGNOILWNXGQDW-RDTXWAMCSA-N 1 2 363.893 2.300 20 30 FEEDLO CCc1nc(CO[NH+]=C(N)c2cccc(Cn3nc(C)cc3C)c2)no1 ZINC000067099212 541417941 /nfs/dbraw/zinc/41/79/41/541417941.db2.gz DLYLIDMDFVFXSU-UHFFFAOYSA-N 1 2 354.414 2.331 20 30 FEEDLO C#CCC[NH+]1CCN(C(=O)[C@H](C)SCC(=O)Nc2ccc(C)cc2)CC1 ZINC000068445500 541593746 /nfs/dbraw/zinc/59/37/46/541593746.db2.gz BNEUMXNETQDJHH-KRWDZBQOSA-N 1 2 373.522 2.223 20 30 FEEDLO C=CC[N@@H+](CC(=O)N1CCC[C@H](C(=O)OCC)C1)Cc1cccc(C#N)c1 ZINC000068855580 541634935 /nfs/dbraw/zinc/63/49/35/541634935.db2.gz BAPVFHOEDPEYHM-IBGZPJMESA-N 1 2 369.465 2.348 20 30 FEEDLO C=CC[N@H+](CC(=O)N1CCC[C@H](C(=O)OCC)C1)Cc1cccc(C#N)c1 ZINC000068855580 541634940 /nfs/dbraw/zinc/63/49/40/541634940.db2.gz BAPVFHOEDPEYHM-IBGZPJMESA-N 1 2 369.465 2.348 20 30 FEEDLO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000068884428 541637431 /nfs/dbraw/zinc/63/74/31/541637431.db2.gz HWUVZDIAEFHCFO-HNNXBMFYSA-N 1 2 362.430 2.013 20 30 FEEDLO N#CCOc1ccc(CNC(=O)NC2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000069281557 541673951 /nfs/dbraw/zinc/67/39/51/541673951.db2.gz LJXHPPRHXSNLCC-UHFFFAOYSA-N 1 2 365.437 2.452 20 30 FEEDLO Cc1[nH+]c2ccccn2c1[C@@H]1C(=O)NCCN1C(=O)Nc1ccc(C#N)cc1 ZINC000071889344 541775103 /nfs/dbraw/zinc/77/51/03/541775103.db2.gz BXRQZEFYRZSSNJ-GOSISDBHSA-N 1 2 374.404 2.219 20 30 FEEDLO C[C@@H](C(=O)N1CCc2ccccc21)[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000073108350 541919530 /nfs/dbraw/zinc/91/95/30/541919530.db2.gz CGEBGKSHLHBDDW-INIZCTEOSA-N 1 2 361.449 2.053 20 30 FEEDLO C[N@@H+]1CCN(S(=O)(=O)CC2(C#N)CCCC2)C[C@H]1Cc1ccccc1 ZINC000551220126 674132157 /nfs/dbraw/zinc/13/21/57/674132157.db2.gz FNBHAYFXRPMXBY-GOSISDBHSA-N 1 2 361.511 2.259 20 30 FEEDLO C[N@H+]1CCN(S(=O)(=O)CC2(C#N)CCCC2)C[C@H]1Cc1ccccc1 ZINC000551220126 674132159 /nfs/dbraw/zinc/13/21/59/674132159.db2.gz FNBHAYFXRPMXBY-GOSISDBHSA-N 1 2 361.511 2.259 20 30 FEEDLO C[C@](C#N)(NC(=O)C[N@@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1)C1CC1 ZINC000076181139 542240491 /nfs/dbraw/zinc/24/04/91/542240491.db2.gz PWCNCXMSXZKDSK-JFGNBEQYSA-N 1 2 357.298 2.467 20 30 FEEDLO C[C@](C#N)(NC(=O)C[N@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1)C1CC1 ZINC000076181139 542240493 /nfs/dbraw/zinc/24/04/93/542240493.db2.gz PWCNCXMSXZKDSK-JFGNBEQYSA-N 1 2 357.298 2.467 20 30 FEEDLO CCO[C@@H](C)c1noc(C[N@@H+]2CCCN(c3ccc(C#N)cn3)CC2)n1 ZINC000078460269 542462255 /nfs/dbraw/zinc/46/22/55/542462255.db2.gz IBQFLAWGLKXUOF-AWEZNQCLSA-N 1 2 356.430 2.146 20 30 FEEDLO CCO[C@@H](C)c1noc(C[N@H+]2CCCN(c3ccc(C#N)cn3)CC2)n1 ZINC000078460269 542462258 /nfs/dbraw/zinc/46/22/58/542462258.db2.gz IBQFLAWGLKXUOF-AWEZNQCLSA-N 1 2 356.430 2.146 20 30 FEEDLO CCOCc1ccc(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1 ZINC000078633394 542473834 /nfs/dbraw/zinc/47/38/34/542473834.db2.gz XDUZOYUJYTXZJT-UHFFFAOYSA-N 1 2 360.458 2.303 20 30 FEEDLO Cc1ccc([C@@H](CNC(=O)c2ccc(C#N)c(C)n2)[NH+]2CCOCC2)cc1 ZINC000079147646 542503980 /nfs/dbraw/zinc/50/39/80/542503980.db2.gz VHFUQWWGBARXGT-HXUWFJFHSA-N 1 2 364.449 2.373 20 30 FEEDLO Cc1ccc(C)c(S(=O)(=O)N2CC[NH+](CCCSCC#N)CC2)c1 ZINC000080626318 542597941 /nfs/dbraw/zinc/59/79/41/542597941.db2.gz OLMDMCKNOMWBOL-UHFFFAOYSA-N 1 2 367.540 2.257 20 30 FEEDLO CC(=O)Nc1ccc(S(=O)(=O)CCC[N@H+](CCC#N)CC2CC2)cc1 ZINC000081044752 542627442 /nfs/dbraw/zinc/62/74/42/542627442.db2.gz XQMGBPRNMLTSOQ-UHFFFAOYSA-N 1 2 363.483 2.434 20 30 FEEDLO CC(=O)Nc1ccc(S(=O)(=O)CCC[N@@H+](CCC#N)CC2CC2)cc1 ZINC000081044752 542627444 /nfs/dbraw/zinc/62/74/44/542627444.db2.gz XQMGBPRNMLTSOQ-UHFFFAOYSA-N 1 2 363.483 2.434 20 30 FEEDLO C=CCOc1ccc(C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)cc1OC ZINC000080944755 542617295 /nfs/dbraw/zinc/61/72/95/542617295.db2.gz ZSEKDMLVROMSMT-KRWDZBQOSA-N 1 2 360.454 2.197 20 30 FEEDLO COc1cccc(-c2cnc(CN(CCC#N)CC[NH+]3CCOCC3)o2)c1 ZINC000081158323 542636900 /nfs/dbraw/zinc/63/69/00/542636900.db2.gz FVWZFIWKVZSMNY-UHFFFAOYSA-N 1 2 370.453 2.398 20 30 FEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[NH+]1CCC(C(=O)N(C)C(C)C)CC1 ZINC000083168574 542692745 /nfs/dbraw/zinc/69/27/45/542692745.db2.gz ZIEXASYGYMSMDY-SFHVURJKSA-N 1 2 357.454 2.351 20 30 FEEDLO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CCCC3(C2)OCCO3)cc1 ZINC000090562857 542786059 /nfs/dbraw/zinc/78/60/59/542786059.db2.gz LTBWKUKWUHEKJX-QGZVFWFLSA-N 1 2 357.454 2.469 20 30 FEEDLO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CCCC3(C2)OCCO3)cc1 ZINC000090562857 542786061 /nfs/dbraw/zinc/78/60/61/542786061.db2.gz LTBWKUKWUHEKJX-QGZVFWFLSA-N 1 2 357.454 2.469 20 30 FEEDLO Cc1cc(C(=O)N2CCN(Cc3c[nH+]c4ccc(C#N)cn34)CC2)c(C)o1 ZINC000092169063 542847577 /nfs/dbraw/zinc/84/75/77/542847577.db2.gz GANRLGCXQORDPL-UHFFFAOYSA-N 1 2 363.421 2.374 20 30 FEEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+](Cc2ccccc2F)C2CC2)CC1 ZINC000092616859 542875779 /nfs/dbraw/zinc/87/57/79/542875779.db2.gz ICHLARNECJTHAH-FQEVSTJZSA-N 1 2 372.488 2.482 20 30 FEEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+](Cc2ccccc2F)C2CC2)CC1 ZINC000092616859 542875782 /nfs/dbraw/zinc/87/57/82/542875782.db2.gz ICHLARNECJTHAH-FQEVSTJZSA-N 1 2 372.488 2.482 20 30 FEEDLO Cc1nsc(N2CCC[N@H+](Cc3cnc4ccc(C#N)cn34)CC2)n1 ZINC000093716815 542938956 /nfs/dbraw/zinc/93/89/56/542938956.db2.gz SWXLTUDUJQUHHV-UHFFFAOYSA-N 1 2 353.455 2.078 20 30 FEEDLO Cc1nsc(N2CCC[N@@H+](Cc3cnc4ccc(C#N)cn34)CC2)n1 ZINC000093716815 542938960 /nfs/dbraw/zinc/93/89/60/542938960.db2.gz SWXLTUDUJQUHHV-UHFFFAOYSA-N 1 2 353.455 2.078 20 30 FEEDLO Cc1ncc(C[NH+]2CCN([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC2)s1 ZINC000106091568 543194630 /nfs/dbraw/zinc/19/46/30/543194630.db2.gz DQHZBNCVQVHNDG-KSSFIOAISA-N 1 2 363.531 2.012 20 30 FEEDLO CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000106581850 543239465 /nfs/dbraw/zinc/23/94/65/543239465.db2.gz CHMAWCHAZSQSCP-KRWDZBQOSA-N 1 2 357.502 2.114 20 30 FEEDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)Cc2ccc(OCC#N)cc2)CC1 ZINC000114704433 543530899 /nfs/dbraw/zinc/53/08/99/543530899.db2.gz JJBAVFIAAFNGEA-QGZVFWFLSA-N 1 2 364.449 2.432 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Nc1nc2ccccc2s1 ZINC000115632857 543578426 /nfs/dbraw/zinc/57/84/26/543578426.db2.gz OTRFMQYSQIMXPY-UHFFFAOYSA-N 1 2 359.455 2.376 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1cc2ccccc2cc1O ZINC000120925128 543686667 /nfs/dbraw/zinc/68/66/67/543686667.db2.gz SYHWTTKZDLQHEC-UHFFFAOYSA-N 1 2 353.422 2.233 20 30 FEEDLO C#CC[NH+]1CCC(C(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)CC1 ZINC000122307746 543705797 /nfs/dbraw/zinc/70/57/97/543705797.db2.gz MORYMLHSWGWPJG-UHFFFAOYSA-N 1 2 354.859 2.027 20 30 FEEDLO C=C(C)CN(CC)C(=O)C[NH+]1CCN(c2ncnc3sccc32)CC1 ZINC000123886939 543789024 /nfs/dbraw/zinc/78/90/24/543789024.db2.gz YCKPOKREZWURHF-UHFFFAOYSA-N 1 2 359.499 2.238 20 30 FEEDLO COc1cc(C#N)ccc1OCC[NH+]1CCN(Cc2ccncc2)CC1 ZINC000124526798 543827673 /nfs/dbraw/zinc/82/76/73/543827673.db2.gz XAWOKZREEBGDGN-UHFFFAOYSA-N 1 2 352.438 2.158 20 30 FEEDLO COc1cc(C#N)ccc1OCCN1CC[NH+](Cc2ccncc2)CC1 ZINC000124526798 543827677 /nfs/dbraw/zinc/82/76/77/543827677.db2.gz XAWOKZREEBGDGN-UHFFFAOYSA-N 1 2 352.438 2.158 20 30 FEEDLO N#CCNC(=O)c1cccnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000126675101 543950078 /nfs/dbraw/zinc/95/00/78/543950078.db2.gz PUDOHGSWIGZMOA-UHFFFAOYSA-N 1 2 369.856 2.311 20 30 FEEDLO COc1cccc(C(=O)N2CC[NH+](C[C@@H](O)c3ccc(C#N)cc3)CC2)c1 ZINC000127009231 543967878 /nfs/dbraw/zinc/96/78/78/543967878.db2.gz IZOIOGNBAPDDLT-HXUWFJFHSA-N 1 2 365.433 2.058 20 30 FEEDLO CC[NH+](CC)CCOc1ccccc1NS(=O)(=O)c1ccc(C#N)nc1 ZINC000127347703 543987496 /nfs/dbraw/zinc/98/74/96/543987496.db2.gz YOKXRIVCCMNPQJ-UHFFFAOYSA-N 1 2 374.466 2.475 20 30 FEEDLO C=CCCOCCNC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1OC ZINC000127474192 543995175 /nfs/dbraw/zinc/99/51/75/543995175.db2.gz AWAXJCQARYZLHJ-KRWDZBQOSA-N 1 2 358.442 2.410 20 30 FEEDLO C=CCCS(=O)(=O)N[C@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1 ZINC000129965590 544133781 /nfs/dbraw/zinc/13/37/81/544133781.db2.gz PLBWFDFLEGXAES-INIZCTEOSA-N 1 2 365.455 2.022 20 30 FEEDLO Cc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)c(C)[nH+]1 ZINC000130806297 544165793 /nfs/dbraw/zinc/16/57/93/544165793.db2.gz LYDCTVWBPOIGQK-UHFFFAOYSA-N 1 2 358.423 2.061 20 30 FEEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCOC2(CCOCC2)C1 ZINC000135630755 544357103 /nfs/dbraw/zinc/35/71/03/544357103.db2.gz ADMVHIHXQNCHPV-KRWDZBQOSA-N 1 2 357.454 2.203 20 30 FEEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCOC2(CCOCC2)C1 ZINC000135630755 544357105 /nfs/dbraw/zinc/35/71/05/544357105.db2.gz ADMVHIHXQNCHPV-KRWDZBQOSA-N 1 2 357.454 2.203 20 30 FEEDLO C=CC[N@@H+](CCC(=O)Nc1ccccc1OCC)[C@@H]1CCS(=O)(=O)C1 ZINC000137279849 544388165 /nfs/dbraw/zinc/38/81/65/544388165.db2.gz QBQMGSLIFHAQFH-OAHLLOKOSA-N 1 2 366.483 2.089 20 30 FEEDLO C=CC[N@H+](CCC(=O)Nc1ccccc1OCC)[C@@H]1CCS(=O)(=O)C1 ZINC000137279849 544388167 /nfs/dbraw/zinc/38/81/67/544388167.db2.gz QBQMGSLIFHAQFH-OAHLLOKOSA-N 1 2 366.483 2.089 20 30 FEEDLO N#CC1(C(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)CCCCC1 ZINC000139854606 544405548 /nfs/dbraw/zinc/40/55/48/544405548.db2.gz QDEDABXRBGOQJQ-UHFFFAOYSA-N 1 2 371.481 2.488 20 30 FEEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000152419689 544651684 /nfs/dbraw/zinc/65/16/84/544651684.db2.gz IUSNOXQYMQLJRW-NEWSRXKRSA-N 1 2 357.454 2.202 20 30 FEEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000152419689 544651688 /nfs/dbraw/zinc/65/16/88/544651688.db2.gz IUSNOXQYMQLJRW-NEWSRXKRSA-N 1 2 357.454 2.202 20 30 FEEDLO N#Cc1ccc(Nc2cccc(C(=O)N3CC[NH+](CCO)CC3)c2)cc1 ZINC000154807610 544951941 /nfs/dbraw/zinc/95/19/41/544951941.db2.gz VYKXOOGHWVSCEG-UHFFFAOYSA-N 1 2 350.422 2.052 20 30 FEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN(C(=O)Cc2ccccc2C)CC1 ZINC000155127891 544993100 /nfs/dbraw/zinc/99/31/00/544993100.db2.gz MKSZULOCHAOFNZ-LJQANCHMSA-N 1 2 369.509 2.271 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccnc(-c2ccc(F)cc2)n1 ZINC000154849548 544957113 /nfs/dbraw/zinc/95/71/13/544957113.db2.gz LCBCDQQXOXIPKA-UHFFFAOYSA-N 1 2 369.444 2.331 20 30 FEEDLO CSc1ccccc1NC(=O)CN(C)C(=O)C[NH+]1CCC(C#N)CC1 ZINC000155181250 544998879 /nfs/dbraw/zinc/99/88/79/544998879.db2.gz LOMMQELGDWMWIR-UHFFFAOYSA-N 1 2 360.483 2.041 20 30 FEEDLO Cc1oc(NC(=O)[C@H](C)[NH+]2CCC(CC(=O)N(C)C)CC2)c(C#N)c1C ZINC000182168705 327764016 /nfs/dbraw/zinc/76/40/16/327764016.db2.gz JSIYZOKDUBDUCU-ZDUSSCGKSA-N 1 2 360.458 2.285 20 30 FEEDLO CN(C)C(=O)CC1CC[NH+](CC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000182236822 327767137 /nfs/dbraw/zinc/76/71/37/327767137.db2.gz TYFLQIQDQLDUGH-UHFFFAOYSA-N 1 2 362.861 2.340 20 30 FEEDLO Cc1cccc([C@H](CNC(=O)c2ccnc(C#N)c2)[NH+]2CCOCC2)c1 ZINC000192679256 328332645 /nfs/dbraw/zinc/33/26/45/328332645.db2.gz LBIHBQPVGUCIAN-IBGZPJMESA-N 1 2 350.422 2.065 20 30 FEEDLO C[C@@H](NC(=O)C[NH+]1CCN(c2cc(C#N)ccn2)CC1)c1ccc(F)cc1 ZINC000029445231 324448068 /nfs/dbraw/zinc/44/80/68/324448068.db2.gz GDXVTSRRJRJHLU-OAHLLOKOSA-N 1 2 367.428 2.092 20 30 FEEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000091936556 325398867 /nfs/dbraw/zinc/39/88/67/325398867.db2.gz LQGFBSXXMNNNON-CSPWOOARSA-N 1 2 364.409 2.480 20 30 FEEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000091936556 325398870 /nfs/dbraw/zinc/39/88/70/325398870.db2.gz LQGFBSXXMNNNON-CSPWOOARSA-N 1 2 364.409 2.480 20 30 FEEDLO COc1ccc(OC)c2c1CN(Cc1c[nH+]c3ccc(C#N)cn13)C[C@@H]2O ZINC000121093075 326312634 /nfs/dbraw/zinc/31/26/34/326312634.db2.gz VWQIWNDSXBXOSR-INIZCTEOSA-N 1 2 364.405 2.272 20 30 FEEDLO COc1cc(C#N)ccc1C[NH+]1CCN(C(=O)c2ccc(O)cc2)CC1 ZINC000121302612 326328023 /nfs/dbraw/zinc/32/80/23/326328023.db2.gz BCPFEZXGGQLJAF-UHFFFAOYSA-N 1 2 351.406 2.230 20 30 FEEDLO Cn1cc[nH+]c1C[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2C#N)C1 ZINC000122113288 326384234 /nfs/dbraw/zinc/38/42/34/326384234.db2.gz FJKJHOVGRLFCAK-CYBMUJFWSA-N 1 2 362.430 2.074 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(Cc3nc(N)c4ccccc4n3)CC2)s1 ZINC000122564729 326401663 /nfs/dbraw/zinc/40/16/63/326401663.db2.gz XZNOSFREPJAPJZ-UHFFFAOYSA-N 1 2 364.478 2.463 20 30 FEEDLO C[C@@H](CNS(=O)(=O)c1c(F)cc(C#N)cc1F)[NH+]1CCC(C)CC1 ZINC000124622102 326457335 /nfs/dbraw/zinc/45/73/35/326457335.db2.gz HQESTLDKOPAYFI-LBPRGKRZSA-N 1 2 357.426 2.235 20 30 FEEDLO N#Cc1cc(Cl)ccc1S(=O)(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000156380568 326829093 /nfs/dbraw/zinc/82/90/93/326829093.db2.gz LDUHHRWDXAWBCQ-UHFFFAOYSA-N 1 2 364.858 2.265 20 30 FEEDLO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCO[C@@H](c3cccc(O)c3)C2)cc1 ZINC000164256841 327067463 /nfs/dbraw/zinc/06/74/63/327067463.db2.gz QDNBWLAMDHSURB-AZUAARDMSA-N 1 2 354.406 2.077 20 30 FEEDLO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCO[C@@H](c3cccc(O)c3)C2)cc1 ZINC000164256841 327067465 /nfs/dbraw/zinc/06/74/65/327067465.db2.gz QDNBWLAMDHSURB-AZUAARDMSA-N 1 2 354.406 2.077 20 30 FEEDLO Cc1ccc(C#N)cc1NC(=O)C(=O)NCCCCNc1cccc[nH+]1 ZINC000172338951 327196626 /nfs/dbraw/zinc/19/66/26/327196626.db2.gz IUKXYIFGLXVZJI-UHFFFAOYSA-N 1 2 351.410 2.209 20 30 FEEDLO Cc1ccc(S(=O)(=O)NCC[N@@H+](C)Cc2cc(C#N)ccc2F)cc1 ZINC000174291186 327317676 /nfs/dbraw/zinc/31/76/76/327317676.db2.gz QRABNNUYVGDMGC-UHFFFAOYSA-N 1 2 361.442 2.416 20 30 FEEDLO Cc1ccc(S(=O)(=O)NCC[N@H+](C)Cc2cc(C#N)ccc2F)cc1 ZINC000174291186 327317677 /nfs/dbraw/zinc/31/76/77/327317677.db2.gz QRABNNUYVGDMGC-UHFFFAOYSA-N 1 2 361.442 2.416 20 30 FEEDLO N#Cc1ccc(CSCC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)cc1 ZINC000174475051 327329092 /nfs/dbraw/zinc/32/90/92/327329092.db2.gz CFVIKHMQQHCKJV-SFHVURJKSA-N 1 2 359.495 2.115 20 30 FEEDLO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)Cc1nnc[nH]1 ZINC000174812663 327352959 /nfs/dbraw/zinc/35/29/59/327352959.db2.gz UKJJSEXVFNTJNM-UHFFFAOYSA-N 1 2 358.471 2.467 20 30 FEEDLO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)Cc1nnc[nH]1 ZINC000174812663 327352960 /nfs/dbraw/zinc/35/29/60/327352960.db2.gz UKJJSEXVFNTJNM-UHFFFAOYSA-N 1 2 358.471 2.467 20 30 FEEDLO C[NH+](C)Cc1ccnc(NS(=O)(=O)c2ccc(C#N)c(Cl)c2)c1 ZINC000176420258 327454668 /nfs/dbraw/zinc/45/46/68/327454668.db2.gz YLSKTAPFRFDRDM-UHFFFAOYSA-N 1 2 350.831 2.469 20 30 FEEDLO N#Cc1ccc(NC(=O)CN2CC[NH+](Cc3cccc(F)c3)CC2)cc1 ZINC000178162296 327569371 /nfs/dbraw/zinc/56/93/71/327569371.db2.gz PYPZYCOVMDBBCA-UHFFFAOYSA-N 1 2 352.413 2.454 20 30 FEEDLO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000247020115 328663178 /nfs/dbraw/zinc/66/31/78/328663178.db2.gz PBOLDVOQRNXCFQ-POAQFYNOSA-N 1 2 371.481 2.141 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Cn3cnc4ccccc43)CC2)cc1 ZINC000265092169 329089828 /nfs/dbraw/zinc/08/98/28/329089828.db2.gz UEDWKFVSIHEZSS-UHFFFAOYSA-N 1 2 359.433 2.252 20 30 FEEDLO COc1cc(C[NH+]2CCN(c3ccc(C#N)nc3)CC2)cc(OC)c1OC ZINC000267370554 329320027 /nfs/dbraw/zinc/32/00/27/329320027.db2.gz JUIMYODCAMLSMW-UHFFFAOYSA-N 1 2 368.437 2.301 20 30 FEEDLO CC1(C)C[C@@H](NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCO1 ZINC000269969319 329564504 /nfs/dbraw/zinc/56/45/04/329564504.db2.gz DLWXIXBTZIEFGG-SFHVURJKSA-N 1 2 356.470 2.343 20 30 FEEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000286425249 330183935 /nfs/dbraw/zinc/18/39/35/330183935.db2.gz INUAYTMACWBZKF-UXIGCNINSA-N 1 2 355.360 2.378 20 30 FEEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000286425249 330183937 /nfs/dbraw/zinc/18/39/37/330183937.db2.gz INUAYTMACWBZKF-UXIGCNINSA-N 1 2 355.360 2.378 20 30 FEEDLO C#C[C@H](NC(=O)N[C@H](C)C[NH+]1CCOCC1)c1ccc(Cl)cc1F ZINC000804915600 674306353 /nfs/dbraw/zinc/30/63/53/674306353.db2.gz AVUPEVVUEUVBAC-WBMJQRKESA-N 1 2 353.825 2.173 20 30 FEEDLO C#C[C@H](NC(=O)NCC[N@H+]1CCOC[C@H]1C)c1ccc(Cl)cc1F ZINC000805187786 674324954 /nfs/dbraw/zinc/32/49/54/674324954.db2.gz VVFPYENINMOQIM-WBMJQRKESA-N 1 2 353.825 2.173 20 30 FEEDLO C#C[C@H](NC(=O)NCC[N@@H+]1CCOC[C@H]1C)c1ccc(Cl)cc1F ZINC000805187786 674324956 /nfs/dbraw/zinc/32/49/56/674324956.db2.gz VVFPYENINMOQIM-WBMJQRKESA-N 1 2 353.825 2.173 20 30 FEEDLO COc1ccc(N2CC[NH+](CC(=O)Nc3cccc(C#N)c3)CC2)cc1 ZINC000057548445 536694407 /nfs/dbraw/zinc/69/44/07/536694407.db2.gz UWJOPWFHKAMWCY-UHFFFAOYSA-N 1 2 350.422 2.328 20 30 FEEDLO COc1ccc(OC)c(C[N@@H+]2CCN(c3nccnc3C#N)C[C@H]2C)c1 ZINC000155702436 545560338 /nfs/dbraw/zinc/56/03/38/545560338.db2.gz XACBBLNSCZVXNE-CQSZACIVSA-N 1 2 353.426 2.076 20 30 FEEDLO COc1ccc(OC)c(C[N@H+]2CCN(c3nccnc3C#N)C[C@H]2C)c1 ZINC000155702436 545560339 /nfs/dbraw/zinc/56/03/39/545560339.db2.gz XACBBLNSCZVXNE-CQSZACIVSA-N 1 2 353.426 2.076 20 30 FEEDLO CC[C@@H]1C(=O)NCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000156524371 545633086 /nfs/dbraw/zinc/63/30/86/545633086.db2.gz PKTJAPMVHJSDEB-OAHLLOKOSA-N 1 2 374.510 2.428 20 30 FEEDLO CC[C@@H]1C(=O)NCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000156524371 545633088 /nfs/dbraw/zinc/63/30/88/545633088.db2.gz PKTJAPMVHJSDEB-OAHLLOKOSA-N 1 2 374.510 2.428 20 30 FEEDLO CO[C@]1(C)C[C@@H]([N@H+](C)CCS(=O)(=O)c2cccc(C#N)c2)C1(C)C ZINC000156808902 545664682 /nfs/dbraw/zinc/66/46/82/545664682.db2.gz MUFLFNKJKHCAMZ-SJLPKXTDSA-N 1 2 350.484 2.467 20 30 FEEDLO CO[C@]1(C)C[C@@H]([N@@H+](C)CCS(=O)(=O)c2cccc(C#N)c2)C1(C)C ZINC000156808902 545664684 /nfs/dbraw/zinc/66/46/84/545664684.db2.gz MUFLFNKJKHCAMZ-SJLPKXTDSA-N 1 2 350.484 2.467 20 30 FEEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000157269326 545721717 /nfs/dbraw/zinc/72/17/17/545721717.db2.gz HURUPXUTJXIERM-UKRRQHHQSA-N 1 2 358.442 2.484 20 30 FEEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000157269326 545721721 /nfs/dbraw/zinc/72/17/21/545721721.db2.gz HURUPXUTJXIERM-UKRRQHHQSA-N 1 2 358.442 2.484 20 30 FEEDLO N#Cc1ccc2[nH+]cc(CN3CCN(Cc4ccccc4)[C@@H](C#N)C3)n2c1 ZINC000157312445 545725706 /nfs/dbraw/zinc/72/57/06/545725706.db2.gz RKFWKQWMCYNRSH-IBGZPJMESA-N 1 2 356.433 2.416 20 30 FEEDLO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3nnc(-c4ccc(C#N)cc4)o3)[C@@H]2C1 ZINC000158180873 545832026 /nfs/dbraw/zinc/83/20/26/545832026.db2.gz NCQKWIRBCQWUMR-ZACQAIPSSA-N 1 2 354.410 2.377 20 30 FEEDLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3nnc(-c4ccc(C#N)cc4)o3)[C@@H]2C1 ZINC000158180873 545832032 /nfs/dbraw/zinc/83/20/32/545832032.db2.gz NCQKWIRBCQWUMR-ZACQAIPSSA-N 1 2 354.410 2.377 20 30 FEEDLO CC(C)n1cc(C#N)c(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000161032405 546094184 /nfs/dbraw/zinc/09/41/84/546094184.db2.gz ZWLKGAKHTFYBSP-KRWDZBQOSA-N 1 2 353.426 2.175 20 30 FEEDLO CC(C)n1cc(C#N)c(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000161032405 546094190 /nfs/dbraw/zinc/09/41/90/546094190.db2.gz ZWLKGAKHTFYBSP-KRWDZBQOSA-N 1 2 353.426 2.175 20 30 FEEDLO CC1CCC(NC(=O)C[NH+]2CCN(CC#Cc3ccc(F)cc3)CC2)CC1 ZINC000161060011 546097392 /nfs/dbraw/zinc/09/73/92/546097392.db2.gz JZXVQZUJMBDWNR-UHFFFAOYSA-N 1 2 371.500 2.490 20 30 FEEDLO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[NH2+]Cc2nnc3n2CCCC3)cc1 ZINC000173638512 546284784 /nfs/dbraw/zinc/28/47/84/546284784.db2.gz NUNGYJQQJMIDDN-MRXNPFEDSA-N 1 2 366.469 2.348 20 30 FEEDLO COc1cccc(-c2noc([C@@H](C)[NH2+][C@H](C)C(=O)N(C)CCC#N)n2)c1 ZINC000174325140 546294453 /nfs/dbraw/zinc/29/44/53/546294453.db2.gz YYQWQGCWZPASKN-CHWSQXEVSA-N 1 2 357.414 2.156 20 30 FEEDLO N#C[C@H](c1ccccc1)N1CC[NH+](Cc2cc(=O)n3ccccc3n2)CC1 ZINC000174576927 546299301 /nfs/dbraw/zinc/29/93/01/546299301.db2.gz DCCWOCAGUIPYCJ-LJQANCHMSA-N 1 2 359.433 2.077 20 30 FEEDLO Cc1noc([C@H]2CCC[N@@H+]([C@@H]3CCN(c4sccc4C#N)C3=O)C2)n1 ZINC000177018700 546525372 /nfs/dbraw/zinc/52/53/72/546525372.db2.gz IKXIZZLJCJGHLN-UONOGXRCSA-N 1 2 357.439 2.296 20 30 FEEDLO Cc1noc([C@H]2CCC[N@H+]([C@@H]3CCN(c4sccc4C#N)C3=O)C2)n1 ZINC000177018700 546525376 /nfs/dbraw/zinc/52/53/76/546525376.db2.gz IKXIZZLJCJGHLN-UONOGXRCSA-N 1 2 357.439 2.296 20 30 FEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000177078065 546540954 /nfs/dbraw/zinc/54/09/54/546540954.db2.gz LRYPUYQKQBAYGB-WMZOPIPTSA-N 1 2 365.437 2.190 20 30 FEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000177078065 546540958 /nfs/dbraw/zinc/54/09/58/546540958.db2.gz LRYPUYQKQBAYGB-WMZOPIPTSA-N 1 2 365.437 2.190 20 30 FEEDLO CN(Cc1cn2c([nH+]1)CCCC2)S(=O)(=O)Cc1ccc(C#N)cc1F ZINC000480697524 561214611 /nfs/dbraw/zinc/21/46/11/561214611.db2.gz LKUNWRITPUCJMZ-UHFFFAOYSA-N 1 2 362.430 2.192 20 30 FEEDLO C=CC[NH+]1CCC(NS(=O)(=O)c2cc(C(C)=O)ccc2Cl)CC1 ZINC000177850486 546695723 /nfs/dbraw/zinc/69/57/23/546695723.db2.gz UYIOJSAHPQFWLZ-UHFFFAOYSA-N 1 2 356.875 2.471 20 30 FEEDLO Cc1[nH+]c2ccccc2n1CC(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 ZINC000177995784 546719782 /nfs/dbraw/zinc/71/97/82/546719782.db2.gz DLLGOPLQVJFWQX-UHFFFAOYSA-N 1 2 371.404 2.495 20 30 FEEDLO COc1cccc(OCC[NH+]2CCN(C(=O)c3cc(C#N)cs3)CC2)c1 ZINC000178257101 546764447 /nfs/dbraw/zinc/76/44/47/546764447.db2.gz BDYHSIWKVZNQRY-UHFFFAOYSA-N 1 2 371.462 2.465 20 30 FEEDLO N#Cc1ccc(OC[C@H](O)CN2CC[NH+](Cc3cccc(F)c3)CC2)cc1 ZINC000178448422 546795498 /nfs/dbraw/zinc/79/54/98/546795498.db2.gz DROIRYOYAAEOOB-HXUWFJFHSA-N 1 2 369.440 2.255 20 30 FEEDLO C=CC[N@@H+](Cc1ccc(OC(F)F)c(OC)c1)[C@H]1CCS(=O)(=O)C1 ZINC000178858554 546862292 /nfs/dbraw/zinc/86/22/92/546862292.db2.gz FXMHODLHVDKAFT-ZDUSSCGKSA-N 1 2 361.410 2.472 20 30 FEEDLO C=CC[N@H+](Cc1ccc(OC(F)F)c(OC)c1)[C@H]1CCS(=O)(=O)C1 ZINC000178858554 546862297 /nfs/dbraw/zinc/86/22/97/546862297.db2.gz FXMHODLHVDKAFT-ZDUSSCGKSA-N 1 2 361.410 2.472 20 30 FEEDLO N#Cc1ccc(Cl)cc1NC(=O)C[NH+]1CCC(O[C@H]2CCOC2)CC1 ZINC000483035417 561265628 /nfs/dbraw/zinc/26/56/28/561265628.db2.gz JYRIQOHMAHWHFP-INIZCTEOSA-N 1 2 363.845 2.420 20 30 FEEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCc3ccc(Cl)cc3C2)CC1 ZINC000181164195 547262295 /nfs/dbraw/zinc/26/22/95/547262295.db2.gz ZATDMWGZUPMMCF-IBGZPJMESA-N 1 2 374.916 2.390 20 30 FEEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCc3ccc(Cl)cc3C2)CC1 ZINC000181164195 547262303 /nfs/dbraw/zinc/26/23/03/547262303.db2.gz ZATDMWGZUPMMCF-IBGZPJMESA-N 1 2 374.916 2.390 20 30 FEEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+](C)C[C@H](O)C(F)(F)F ZINC000181249491 547280464 /nfs/dbraw/zinc/28/04/64/547280464.db2.gz HIDWSGKNGADWDN-UFBFGSQYSA-N 1 2 361.389 2.290 20 30 FEEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+](C)C[C@H](O)C(F)(F)F ZINC000181249491 547280468 /nfs/dbraw/zinc/28/04/68/547280468.db2.gz HIDWSGKNGADWDN-UFBFGSQYSA-N 1 2 361.389 2.290 20 30 FEEDLO CCN(C)c1ccc(C[N@@H+]2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)cn1 ZINC000483248394 561271790 /nfs/dbraw/zinc/27/17/90/561271790.db2.gz QFLYVODAWOSKPJ-KKSFZXQISA-N 1 2 361.449 2.383 20 30 FEEDLO CCN(C)c1ccc(C[N@H+]2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)cn1 ZINC000483248394 561271791 /nfs/dbraw/zinc/27/17/91/561271791.db2.gz QFLYVODAWOSKPJ-KKSFZXQISA-N 1 2 361.449 2.383 20 30 FEEDLO Cc1ccc(C[N@H+](CCO)CCS(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000181979422 547416426 /nfs/dbraw/zinc/41/64/26/547416426.db2.gz FRNCURACSMVVHB-UHFFFAOYSA-N 1 2 358.463 2.135 20 30 FEEDLO Cc1ccc(C[N@@H+](CCO)CCS(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000181979422 547416429 /nfs/dbraw/zinc/41/64/29/547416429.db2.gz FRNCURACSMVVHB-UHFFFAOYSA-N 1 2 358.463 2.135 20 30 FEEDLO Cn1cc([C@@H]([NH2+]CC(=O)N[C@@](C)(C#N)C2CC2)c2ccc(F)cc2)cn1 ZINC000184585066 547850101 /nfs/dbraw/zinc/85/01/01/547850101.db2.gz CNAHNFSTKSVXQW-OALUTQOASA-N 1 2 355.417 2.047 20 30 FEEDLO CC[C@@H]1CCCC[C@@H]1OCC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000184909829 547897591 /nfs/dbraw/zinc/89/75/91/547897591.db2.gz AWQNCDQMCYJAPZ-MSOLQXFVSA-N 1 2 351.491 2.046 20 30 FEEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCCC[C@]2(C)C(N)=O)c1C ZINC000185934600 548061540 /nfs/dbraw/zinc/06/15/40/548061540.db2.gz GWPOOJZNGLPXDM-HXUWFJFHSA-N 1 2 356.470 2.280 20 30 FEEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCCC[C@]2(C)C(N)=O)c1C ZINC000185934600 548061544 /nfs/dbraw/zinc/06/15/44/548061544.db2.gz GWPOOJZNGLPXDM-HXUWFJFHSA-N 1 2 356.470 2.280 20 30 FEEDLO C#CCOc1ccccc1NC(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000188090117 548272027 /nfs/dbraw/zinc/27/20/27/548272027.db2.gz JVMRNWCTAPMABK-UHFFFAOYSA-N 1 2 351.410 2.151 20 30 FEEDLO C=C(C)CS(=O)(=O)NCc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000189534944 548304584 /nfs/dbraw/zinc/30/45/84/548304584.db2.gz BJTDWXTYSITPTC-HOTGVXAUSA-N 1 2 352.500 2.291 20 30 FEEDLO C=CCN(CCOC)C(=O)Nc1ccccc1C[NH+]1CCN(C(C)=O)CC1 ZINC000190837204 548335323 /nfs/dbraw/zinc/33/53/23/548335323.db2.gz ZKLWAHJOBZFAEI-UHFFFAOYSA-N 1 2 374.485 2.017 20 30 FEEDLO CN(C(=O)C[NH+]1CCN(CC#Cc2ccccc2)CC1)C1CCCCC1 ZINC000191991991 548354675 /nfs/dbraw/zinc/35/46/75/548354675.db2.gz FWJVTSHSETXJLY-UHFFFAOYSA-N 1 2 353.510 2.447 20 30 FEEDLO Cc1ccc(C#N)cc1NC(=O)C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000195223808 548599458 /nfs/dbraw/zinc/59/94/58/548599458.db2.gz IADMCMCTSRTOAW-UHFFFAOYSA-N 1 2 368.462 2.041 20 30 FEEDLO Cc1ccc(C#N)cc1NC(=O)C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000195223808 548599463 /nfs/dbraw/zinc/59/94/63/548599463.db2.gz IADMCMCTSRTOAW-UHFFFAOYSA-N 1 2 368.462 2.041 20 30 FEEDLO Cc1nc(N2CC[NH+](CC(=O)N(C)C3CCCCC3)CC2)ccc1C#N ZINC000488051537 561382292 /nfs/dbraw/zinc/38/22/92/561382292.db2.gz QTYIBUQIZNWEOB-UHFFFAOYSA-N 1 2 355.486 2.175 20 30 FEEDLO CCCCNC(=O)[C@@H]1CCC[N@@H+]([C@@H](C(=O)OC)c2cccc(C#N)c2)C1 ZINC000246345008 549111069 /nfs/dbraw/zinc/11/10/69/549111069.db2.gz FPVKOWHPTUCQCU-QZTJIDSGSA-N 1 2 357.454 2.401 20 30 FEEDLO CCCCNC(=O)[C@@H]1CCC[N@H+]([C@@H](C(=O)OC)c2cccc(C#N)c2)C1 ZINC000246345008 549111072 /nfs/dbraw/zinc/11/10/72/549111072.db2.gz FPVKOWHPTUCQCU-QZTJIDSGSA-N 1 2 357.454 2.401 20 30 FEEDLO Cc1cc(C)c(C#N)c(NCc2ccc[nH+]c2N2CCC(C(N)=O)CC2)n1 ZINC000264140835 549984305 /nfs/dbraw/zinc/98/43/05/549984305.db2.gz QMVODOUNDXKKLS-UHFFFAOYSA-N 1 2 364.453 2.279 20 30 FEEDLO Cn1cc[nH+]c1[C@H](NC(=O)N1CCO[C@@H](C#N)C1)c1ccc(Cl)cc1 ZINC000264398926 549995145 /nfs/dbraw/zinc/99/51/45/549995145.db2.gz OOMWYRPGSRCYAA-LSDHHAIUSA-N 1 2 359.817 2.097 20 30 FEEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000264631697 549999198 /nfs/dbraw/zinc/99/91/98/549999198.db2.gz VJXZMIBLTCYWMS-ZIAGYGMSSA-N 1 2 371.466 2.421 20 30 FEEDLO CCN(CCC#N)C(=O)C[N@@H+](Cc1ccccc1OC)C[C@H]1CCCO1 ZINC000264845271 550002090 /nfs/dbraw/zinc/00/20/90/550002090.db2.gz XMSMCYJNFLPJBD-GOSISDBHSA-N 1 2 359.470 2.438 20 30 FEEDLO CCN(CCC#N)C(=O)C[N@H+](Cc1ccccc1OC)C[C@H]1CCCO1 ZINC000264845271 550002091 /nfs/dbraw/zinc/00/20/91/550002091.db2.gz XMSMCYJNFLPJBD-GOSISDBHSA-N 1 2 359.470 2.438 20 30 FEEDLO N#CCCn1ccc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000265429875 550010093 /nfs/dbraw/zinc/01/00/93/550010093.db2.gz MPAFJVSXZJPPJJ-UHFFFAOYSA-N 1 2 363.425 2.018 20 30 FEEDLO Cc1cnc(N2CC[NH+]([C@@H](C)C(=O)NC3(C#N)CCCCC3)CC2)s1 ZINC000265447481 550010219 /nfs/dbraw/zinc/01/02/19/550010219.db2.gz SIXFVAGYSISKBT-HNNXBMFYSA-N 1 2 361.515 2.305 20 30 FEEDLO CCN(CC)C(=O)C[N@H+](C)[C@H](C)C(=O)N(CCC#N)c1ccccc1OC ZINC000266661771 550022512 /nfs/dbraw/zinc/02/25/12/550022512.db2.gz LYHUWMZVJUKPNZ-MRXNPFEDSA-N 1 2 374.485 2.131 20 30 FEEDLO CCN(CC)C(=O)C[N@@H+](C)[C@H](C)C(=O)N(CCC#N)c1ccccc1OC ZINC000266661771 550022515 /nfs/dbraw/zinc/02/25/15/550022515.db2.gz LYHUWMZVJUKPNZ-MRXNPFEDSA-N 1 2 374.485 2.131 20 30 FEEDLO C#CCOc1ccccc1CNC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000266868655 550025185 /nfs/dbraw/zinc/02/51/85/550025185.db2.gz WNNFYTPFTJUISZ-UHFFFAOYSA-N 1 2 364.445 2.461 20 30 FEEDLO N#CCCn1cc(C(=O)C[N@@H+]2CCC[C@@H]2C(=O)NC2CC2)c2ccccc21 ZINC000266885345 550025261 /nfs/dbraw/zinc/02/52/61/550025261.db2.gz BVMQRUGXOBSIKL-LJQANCHMSA-N 1 2 364.449 2.481 20 30 FEEDLO N#CCCn1cc(C(=O)C[N@H+]2CCC[C@@H]2C(=O)NC2CC2)c2ccccc21 ZINC000266885345 550025265 /nfs/dbraw/zinc/02/52/65/550025265.db2.gz BVMQRUGXOBSIKL-LJQANCHMSA-N 1 2 364.449 2.481 20 30 FEEDLO CCOCc1ccc(CNC(=O)CO[NH+]=C(N)[C@@H](C)OCC(C)C)cc1 ZINC000268542049 550084755 /nfs/dbraw/zinc/08/47/55/550084755.db2.gz ABUYYROSRIZCDZ-OAHLLOKOSA-N 1 2 365.474 2.189 20 30 FEEDLO N#Cc1ccc(NC(=O)C(=O)N2CCC(n3cc[nH+]c3)CC2)c(Cl)c1 ZINC000269071132 550151252 /nfs/dbraw/zinc/15/12/52/550151252.db2.gz FHXAPVZFNWIBCU-UHFFFAOYSA-N 1 2 357.801 2.210 20 30 FEEDLO CCS(=O)(=O)CC[N@H+](C)Cc1ccc(OC)c(OCCCC#N)c1 ZINC000271204236 550352786 /nfs/dbraw/zinc/35/27/86/550352786.db2.gz QVVPGLGHFAHATM-UHFFFAOYSA-N 1 2 354.472 2.244 20 30 FEEDLO CCS(=O)(=O)CC[N@@H+](C)Cc1ccc(OC)c(OCCCC#N)c1 ZINC000271204236 550352789 /nfs/dbraw/zinc/35/27/89/550352789.db2.gz QVVPGLGHFAHATM-UHFFFAOYSA-N 1 2 354.472 2.244 20 30 FEEDLO COC(=O)c1ccc2c(c1)C[N@@H+](CC(=O)NCc1ccc(C#N)cc1)CC2 ZINC000271411820 550373282 /nfs/dbraw/zinc/37/32/82/550373282.db2.gz YVSJVFPWKSQKKS-UHFFFAOYSA-N 1 2 363.417 2.019 20 30 FEEDLO COC(=O)c1ccc2c(c1)C[N@H+](CC(=O)NCc1ccc(C#N)cc1)CC2 ZINC000271411820 550373283 /nfs/dbraw/zinc/37/32/83/550373283.db2.gz YVSJVFPWKSQKKS-UHFFFAOYSA-N 1 2 363.417 2.019 20 30 FEEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@@H](C)c1nc(-c2ccccc2OC)no1 ZINC000273442366 550498931 /nfs/dbraw/zinc/49/89/31/550498931.db2.gz ZSFVHGFBWFIICR-KBPBESRZSA-N 1 2 371.441 2.404 20 30 FEEDLO C=CCCS(=O)(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000273670700 550507436 /nfs/dbraw/zinc/50/74/36/550507436.db2.gz ZGDCPXAIPPRGCK-UHFFFAOYSA-N 1 2 358.261 2.401 20 30 FEEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)C1=O ZINC000277881401 550724797 /nfs/dbraw/zinc/72/47/97/550724797.db2.gz VJUGRGVSVKMQQK-AVGNSLFASA-N 1 2 373.400 2.360 20 30 FEEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)C1=O ZINC000277881401 550724798 /nfs/dbraw/zinc/72/47/98/550724798.db2.gz VJUGRGVSVKMQQK-AVGNSLFASA-N 1 2 373.400 2.360 20 30 FEEDLO Cc1cc(S(=O)(=O)NCc2cc[nH+]c(N3CCCC3)c2)ccc1C#N ZINC000278047878 550742924 /nfs/dbraw/zinc/74/29/24/550742924.db2.gz RCQCSYBMCGUZHL-UHFFFAOYSA-N 1 2 356.451 2.340 20 30 FEEDLO Cn1ncc2c1nc(NC1CCC(Oc3ccc(C#N)cn3)CC1)[nH+]c2N ZINC000278158110 550755429 /nfs/dbraw/zinc/75/54/29/550755429.db2.gz BVJKPNSEEWJFBQ-UHFFFAOYSA-N 1 2 364.413 2.014 20 30 FEEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000278184011 550758466 /nfs/dbraw/zinc/75/84/66/550758466.db2.gz SQJILYQFZAZCGA-UHFFFAOYSA-N 1 2 358.442 2.332 20 30 FEEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000278631281 550806173 /nfs/dbraw/zinc/80/61/73/550806173.db2.gz YFGYXKNUSPBMKE-VAMGGRTRSA-N 1 2 358.482 2.466 20 30 FEEDLO C=CCc1cc(C[NH2+]Cc2ncccc2S(C)(=O)=O)cc(OC)c1O ZINC000278838865 550827675 /nfs/dbraw/zinc/82/76/75/550827675.db2.gz VVPVMJNWPIJKHO-UHFFFAOYSA-N 1 2 362.451 2.218 20 30 FEEDLO CO[C@]1(C)CCC[N@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000279395190 550885130 /nfs/dbraw/zinc/88/51/30/550885130.db2.gz URKCLXMCZOZKCQ-AUUYWEPGSA-N 1 2 354.410 2.013 20 30 FEEDLO CO[C@]1(C)CCC[N@@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000279395190 550885132 /nfs/dbraw/zinc/88/51/32/550885132.db2.gz URKCLXMCZOZKCQ-AUUYWEPGSA-N 1 2 354.410 2.013 20 30 FEEDLO C#CCn1ccc(C[N@@H+](CC)[C@H](C)C(=O)NC(=O)Nc2ccccc2F)n1 ZINC000279668493 550914698 /nfs/dbraw/zinc/91/46/98/550914698.db2.gz DVFMQECYNQBMCF-CQSZACIVSA-N 1 2 371.416 2.214 20 30 FEEDLO C#CCn1ccc(C[N@H+](CC)[C@H](C)C(=O)NC(=O)Nc2ccccc2F)n1 ZINC000279668493 550914700 /nfs/dbraw/zinc/91/47/00/550914700.db2.gz DVFMQECYNQBMCF-CQSZACIVSA-N 1 2 371.416 2.214 20 30 FEEDLO C#CCn1ccc(C[N@H+](CC)CCC(=O)c2ccc3c(c2)OCCO3)n1 ZINC000279713094 550920024 /nfs/dbraw/zinc/92/00/24/550920024.db2.gz KNQLARQWJWUOEL-UHFFFAOYSA-N 1 2 353.422 2.382 20 30 FEEDLO C#CCn1ccc(C[N@@H+](CC)CCC(=O)c2ccc3c(c2)OCCO3)n1 ZINC000279713094 550920026 /nfs/dbraw/zinc/92/00/26/550920026.db2.gz KNQLARQWJWUOEL-UHFFFAOYSA-N 1 2 353.422 2.382 20 30 FEEDLO C[C@H](O)C[C@@H]1CCCC[N@@H+]1CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000279829191 550933697 /nfs/dbraw/zinc/93/36/97/550933697.db2.gz QYXJDRBQKCQACI-DZKIICNBSA-N 1 2 368.437 2.137 20 30 FEEDLO C[C@H](O)C[C@@H]1CCCC[N@H+]1CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000279829191 550933698 /nfs/dbraw/zinc/93/36/98/550933698.db2.gz QYXJDRBQKCQACI-DZKIICNBSA-N 1 2 368.437 2.137 20 30 FEEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2C[C@@H](C)O[C@]3(CCOC3)C2)c1C ZINC000280325049 550980889 /nfs/dbraw/zinc/98/08/89/550980889.db2.gz HHEMOODCSBMRJR-DYESRHJHSA-N 1 2 371.481 2.430 20 30 FEEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2C[C@@H](C)O[C@]3(CCOC3)C2)c1C ZINC000280325049 550980891 /nfs/dbraw/zinc/98/08/91/550980891.db2.gz HHEMOODCSBMRJR-DYESRHJHSA-N 1 2 371.481 2.430 20 30 FEEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCO[C@@]2(CCO[C@H]2C)C1 ZINC000280488729 550999357 /nfs/dbraw/zinc/99/93/57/550999357.db2.gz QCSCXYNQNIVNHS-UWVAXJGDSA-N 1 2 357.454 2.202 20 30 FEEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCO[C@@]2(CCO[C@H]2C)C1 ZINC000280488729 550999358 /nfs/dbraw/zinc/99/93/58/550999358.db2.gz QCSCXYNQNIVNHS-UWVAXJGDSA-N 1 2 357.454 2.202 20 30 FEEDLO COc1ccc([C@H](CNc2nc(C)cc(C#N)n2)[NH+]2CCOCC2)cc1 ZINC000281054136 551058868 /nfs/dbraw/zinc/05/88/68/551058868.db2.gz XOLUEEDDBNXKGP-SFHVURJKSA-N 1 2 353.426 2.151 20 30 FEEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C1=O ZINC000281407877 551093565 /nfs/dbraw/zinc/09/35/65/551093565.db2.gz QXROJKVTXLBOKC-PKOBYXMFSA-N 1 2 368.481 2.349 20 30 FEEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C1=O ZINC000281407877 551093566 /nfs/dbraw/zinc/09/35/66/551093566.db2.gz QXROJKVTXLBOKC-PKOBYXMFSA-N 1 2 368.481 2.349 20 30 FEEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O ZINC000281419046 551094951 /nfs/dbraw/zinc/09/49/51/551094951.db2.gz RROYPWRTWMJTEY-SWLSCSKDSA-N 1 2 371.397 2.425 20 30 FEEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O ZINC000281419046 551094952 /nfs/dbraw/zinc/09/49/52/551094952.db2.gz RROYPWRTWMJTEY-SWLSCSKDSA-N 1 2 371.397 2.425 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1=O ZINC000281455908 551099527 /nfs/dbraw/zinc/09/95/27/551099527.db2.gz VADTWFQTGZZBJH-WBMJQRKESA-N 1 2 360.845 2.257 20 30 FEEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1=O ZINC000281455908 551099528 /nfs/dbraw/zinc/09/95/28/551099528.db2.gz VADTWFQTGZZBJH-WBMJQRKESA-N 1 2 360.845 2.257 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C(=O)Nc2nc3ccccc3s2)C1=O ZINC000281516583 551107910 /nfs/dbraw/zinc/10/79/10/551107910.db2.gz ZBYYLWWKKOQNRO-OCCSQVGLSA-N 1 2 358.467 2.342 20 30 FEEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)C(=O)Nc2nc3ccccc3s2)C1=O ZINC000281516583 551107911 /nfs/dbraw/zinc/10/79/11/551107911.db2.gz ZBYYLWWKKOQNRO-OCCSQVGLSA-N 1 2 358.467 2.342 20 30 FEEDLO C=CCN1CC[C@@H](N(C)C(=O)/C=C/c2ccc(-n3cc[nH+]c3)cc2)C1=O ZINC000281599348 551118945 /nfs/dbraw/zinc/11/89/45/551118945.db2.gz DANLDEBNUQXEMS-AHKGRUIUSA-N 1 2 350.422 2.131 20 30 FEEDLO N#Cc1cccnc1N1CC[NH+](C[C@@H](O)COc2ccccc2Cl)CC1 ZINC000281920844 551158167 /nfs/dbraw/zinc/15/81/67/551158167.db2.gz WCFPOFAPLSVAMK-MRXNPFEDSA-N 1 2 372.856 2.169 20 30 FEEDLO C=CCn1c(CC2CC2)nnc1N1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000282708529 551262291 /nfs/dbraw/zinc/26/22/91/551262291.db2.gz VMQFGNWHBVITMT-UHFFFAOYSA-N 1 2 356.474 2.344 20 30 FEEDLO C#CC[NH+]1CCN(c2nnc(-c3ccccn3)n2Cc2cccs2)CC1 ZINC000282996996 551295080 /nfs/dbraw/zinc/29/50/80/551295080.db2.gz MXFMAGBZXIHTLY-UHFFFAOYSA-N 1 2 364.478 2.205 20 30 FEEDLO C#CC[NH+]1CCN(c2nnc(-c3ccccc3C)n2C[C@@H]2CCCO2)CC1 ZINC000283196217 551327207 /nfs/dbraw/zinc/32/72/07/551327207.db2.gz AXBMBSHVKGJDKC-SFHVURJKSA-N 1 2 365.481 2.188 20 30 FEEDLO Cn1[nH]c(C[N@H+](Cc2ccc(C#N)cc2)Cc2cccc(F)c2)nc1=O ZINC000497750310 561507964 /nfs/dbraw/zinc/50/79/64/561507964.db2.gz MDRHHDIOJOERNO-UHFFFAOYSA-N 1 2 351.385 2.322 20 30 FEEDLO Cn1[nH]c(C[N@@H+](Cc2ccc(C#N)cc2)Cc2cccc(F)c2)nc1=O ZINC000497750310 561507965 /nfs/dbraw/zinc/50/79/65/561507965.db2.gz MDRHHDIOJOERNO-UHFFFAOYSA-N 1 2 351.385 2.322 20 30 FEEDLO C#CC[NH+]1CCN(c2nnc(CSc3ccccc3OC)n2CC)CC1 ZINC000284254057 551508078 /nfs/dbraw/zinc/50/80/78/551508078.db2.gz CXBDGXJOFVGJLS-UHFFFAOYSA-N 1 2 371.510 2.354 20 30 FEEDLO Cc1ccc(C#N)cc1S(=O)(=O)N[C@@H](c1[nH+]ccn1C)C1CCOCC1 ZINC000284917421 551666746 /nfs/dbraw/zinc/66/67/46/551666746.db2.gz ILGUXRQMTNICAL-QGZVFWFLSA-N 1 2 374.466 2.046 20 30 FEEDLO N#C[C@H](C(=O)C[N@@H+]1CCC[C@H]1[C@@H]1CCCO1)c1nc2ccccc2c(=O)[nH]1 ZINC000284977828 551681850 /nfs/dbraw/zinc/68/18/50/551681850.db2.gz XYCBOHLQZBGRRJ-HFTRVMKXSA-N 1 2 366.421 2.155 20 30 FEEDLO N#C[C@H](C(=O)C[N@H+]1CCC[C@H]1[C@@H]1CCCO1)c1nc2ccccc2c(=O)[nH]1 ZINC000284977828 551681853 /nfs/dbraw/zinc/68/18/53/551681853.db2.gz XYCBOHLQZBGRRJ-HFTRVMKXSA-N 1 2 366.421 2.155 20 30 FEEDLO COc1ccc(C(=O)CC[NH+]2CCN(c3ncccc3C#N)CC2)cc1 ZINC000285125816 551708257 /nfs/dbraw/zinc/70/82/57/551708257.db2.gz IXOKCPIFWXDVLT-UHFFFAOYSA-N 1 2 350.422 2.357 20 30 FEEDLO CCOc1cccc(/C=[NH+]/C[C@@H]2CCCC[C@H]2NS(C)(=O)=O)c1O ZINC000285290471 551732682 /nfs/dbraw/zinc/73/26/82/551732682.db2.gz IVAMHZZZTDJWSN-LVJAFBKBSA-N 1 2 354.472 2.318 20 30 FEEDLO COc1cc[nH+]c(CN2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1OC ZINC000285557010 551774471 /nfs/dbraw/zinc/77/44/71/551774471.db2.gz RIIRNOVPGWSHBW-ZDUSSCGKSA-N 1 2 362.430 2.044 20 30 FEEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000286488271 551891648 /nfs/dbraw/zinc/89/16/48/551891648.db2.gz LRXBXOVWRXEGIU-XBFCOCLRSA-N 1 2 355.360 2.378 20 30 FEEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000286488271 551891649 /nfs/dbraw/zinc/89/16/49/551891649.db2.gz LRXBXOVWRXEGIU-XBFCOCLRSA-N 1 2 355.360 2.378 20 30 FEEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CC[C@@H](C(F)(F)F)[C@H](CO)C2)C1=O ZINC000286529877 551896736 /nfs/dbraw/zinc/89/67/36/551896736.db2.gz NNSLXOLNDODWET-XQQFMLRXSA-N 1 2 373.400 2.218 20 30 FEEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CC[C@@H](C(F)(F)F)[C@H](CO)C2)C1=O ZINC000286529877 551896737 /nfs/dbraw/zinc/89/67/37/551896737.db2.gz NNSLXOLNDODWET-XQQFMLRXSA-N 1 2 373.400 2.218 20 30 FEEDLO C#CCOc1cc(F)ccc1NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000287191647 551974747 /nfs/dbraw/zinc/97/47/47/551974747.db2.gz QANBMNYONNKJPE-GOEBONIOSA-N 1 2 361.417 2.165 20 30 FEEDLO N#Cc1cccc(NC(=O)C2CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)c1 ZINC000287360058 551994095 /nfs/dbraw/zinc/99/40/95/551994095.db2.gz JUMISPUQXXZGKG-UHFFFAOYSA-N 1 2 351.410 2.091 20 30 FEEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000287530781 552015983 /nfs/dbraw/zinc/01/59/83/552015983.db2.gz VOTNVOQOPXYKTM-WMLDXEAASA-N 1 2 366.421 2.148 20 30 FEEDLO CCO[C@@H]1C[C@]([NH2+]CCCC2(C#N)CCOCC2)(C(=O)OC)C1(C)C ZINC000499702880 561556364 /nfs/dbraw/zinc/55/63/64/561556364.db2.gz FZDUHGYOXJRWIE-BEFAXECRSA-N 1 2 352.475 2.423 20 30 FEEDLO C=CCN1CC[C@@H]([N@H+](CCO)Cc2ccc(Br)s2)C1=O ZINC000499717950 561556850 /nfs/dbraw/zinc/55/68/50/561556850.db2.gz IVTNCXRUZBYVAZ-GFCCVEGCSA-N 1 2 359.289 2.092 20 30 FEEDLO C=CCN1CC[C@@H]([N@@H+](CCO)Cc2ccc(Br)s2)C1=O ZINC000499717950 561556851 /nfs/dbraw/zinc/55/68/51/561556851.db2.gz IVTNCXRUZBYVAZ-GFCCVEGCSA-N 1 2 359.289 2.092 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)C1=O ZINC000499986332 561563500 /nfs/dbraw/zinc/56/35/00/561563500.db2.gz IMLLMZAARIXOBZ-JKSUJKDBSA-N 1 2 365.836 2.303 20 30 FEEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)C1=O ZINC000499986332 561563501 /nfs/dbraw/zinc/56/35/01/561563501.db2.gz IMLLMZAARIXOBZ-JKSUJKDBSA-N 1 2 365.836 2.303 20 30 FEEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N2CCC(Cc3ccccc3)CC2)C1=O ZINC000499992072 561563597 /nfs/dbraw/zinc/56/35/97/561563597.db2.gz UKMJDVBULMNTPK-FQEVSTJZSA-N 1 2 369.509 2.186 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N2CCC(Cc3ccccc3)CC2)C1=O ZINC000499992072 561563598 /nfs/dbraw/zinc/56/35/98/561563598.db2.gz UKMJDVBULMNTPK-FQEVSTJZSA-N 1 2 369.509 2.186 20 30 FEEDLO C#Cc1ccccc1CC(=O)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000289313353 552300090 /nfs/dbraw/zinc/30/00/90/552300090.db2.gz FILZGIGARUDXMD-GOSISDBHSA-N 1 2 354.475 2.462 20 30 FEEDLO O=c1nc([C@@H]2CCC[N@@H+](CC#Cc3ccc(C(F)(F)F)cc3)C2)[nH][nH]1 ZINC000289366428 552308414 /nfs/dbraw/zinc/30/84/14/552308414.db2.gz HXGITPHGSSYZLJ-CYBMUJFWSA-N 1 2 350.344 2.348 20 30 FEEDLO O=c1nc([C@@H]2CCC[N@H+](CC#Cc3ccc(C(F)(F)F)cc3)C2)[nH][nH]1 ZINC000289366428 552308415 /nfs/dbraw/zinc/30/84/15/552308415.db2.gz HXGITPHGSSYZLJ-CYBMUJFWSA-N 1 2 350.344 2.348 20 30 FEEDLO Cc1nsc(N2CC[NH+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)CC2)c1C#N ZINC000289393682 552313815 /nfs/dbraw/zinc/31/38/15/552313815.db2.gz DULAMRVJSLXJJR-MRXNPFEDSA-N 1 2 373.438 2.087 20 30 FEEDLO N#Cc1cncc(S(=O)(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000290080625 552424056 /nfs/dbraw/zinc/42/40/56/552424056.db2.gz GYQOPYOBVFBUQQ-HNNXBMFYSA-N 1 2 371.466 2.054 20 30 FEEDLO CCO[C@H]1C[C@@H]([N@H+](C)CCS(=O)(=O)c2ccc(C#N)cn2)C12CCC2 ZINC000290262947 552450259 /nfs/dbraw/zinc/45/02/59/552450259.db2.gz KVSWFDVGISNROL-CVEARBPZSA-N 1 2 363.483 2.006 20 30 FEEDLO CCO[C@H]1C[C@@H]([N@@H+](C)CCS(=O)(=O)c2ccc(C#N)cn2)C12CCC2 ZINC000290262947 552450261 /nfs/dbraw/zinc/45/02/61/552450261.db2.gz KVSWFDVGISNROL-CVEARBPZSA-N 1 2 363.483 2.006 20 30 FEEDLO C[C@@H](c1cccc(NS(=O)(=O)c2cncc(C#N)c2)c1)[NH+]1CCOCC1 ZINC000290975495 552570902 /nfs/dbraw/zinc/57/09/02/552570902.db2.gz QPGVNMQMAHYQFY-AWEZNQCLSA-N 1 2 372.450 2.147 20 30 FEEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000291638777 552646417 /nfs/dbraw/zinc/64/64/17/552646417.db2.gz DQLXZWQCTJTPJK-PWSUYJOCSA-N 1 2 357.788 2.488 20 30 FEEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000291638777 552646419 /nfs/dbraw/zinc/64/64/19/552646419.db2.gz DQLXZWQCTJTPJK-PWSUYJOCSA-N 1 2 357.788 2.488 20 30 FEEDLO C[C@@H](C(=O)NCc1cccs1)[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292042914 552687509 /nfs/dbraw/zinc/68/75/09/552687509.db2.gz ASDYDOLESLKHFE-ZFWWWQNUSA-N 1 2 356.451 2.173 20 30 FEEDLO C[C@@H](C(=O)NCc1cccs1)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292042914 552687511 /nfs/dbraw/zinc/68/75/11/552687511.db2.gz ASDYDOLESLKHFE-ZFWWWQNUSA-N 1 2 356.451 2.173 20 30 FEEDLO Cn1cc[nH+]c1[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)CCCC#N ZINC000292165170 552700221 /nfs/dbraw/zinc/70/02/21/552700221.db2.gz FNTUUMMFSNIWEU-AWEZNQCLSA-N 1 2 361.446 2.234 20 30 FEEDLO C=CCn1c(=O)c2ccc(C(=O)NC(C)(C)CCC[NH3+])cc2[nH]c1=S ZINC000293680569 552846655 /nfs/dbraw/zinc/84/66/55/552846655.db2.gz NYHJTJNMWQLYOL-UHFFFAOYSA-N 1 2 360.483 2.119 20 30 FEEDLO C=CCc1cc(C[N@@H+]2CCC[C@@H](CS(C)(=O)=O)C2)cc(OC)c1O ZINC000294069398 552879413 /nfs/dbraw/zinc/87/94/13/552879413.db2.gz YHYGAUUTARKHGB-CQSZACIVSA-N 1 2 353.484 2.386 20 30 FEEDLO C=CCc1cc(C[N@H+]2CCC[C@@H](CS(C)(=O)=O)C2)cc(OC)c1O ZINC000294069398 552879415 /nfs/dbraw/zinc/87/94/15/552879415.db2.gz YHYGAUUTARKHGB-CQSZACIVSA-N 1 2 353.484 2.386 20 30 FEEDLO CC(C)(CC#N)CS(=O)(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000295505022 553017535 /nfs/dbraw/zinc/01/75/35/553017535.db2.gz SUYVMCYSSYDHSX-UHFFFAOYSA-N 1 2 350.419 2.371 20 30 FEEDLO N#CC[C@@H]1CC[C@H](NC(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)C1 ZINC000297605624 553314887 /nfs/dbraw/zinc/31/48/87/553314887.db2.gz ZQXSYFRLXRRUQI-YTQUADARSA-N 1 2 356.470 2.441 20 30 FEEDLO C=CCCN(C)C(=O)C(=O)N1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000297809499 553341699 /nfs/dbraw/zinc/34/16/99/553341699.db2.gz KNAREMJAGIQUAG-INIZCTEOSA-N 1 2 354.454 2.370 20 30 FEEDLO C#CC[N@H+](Cc1ccccc1)C[C@@](C)(O)c1ccc(S(C)(=O)=O)cc1 ZINC000298563852 553441272 /nfs/dbraw/zinc/44/12/72/553441272.db2.gz PSAFOFTXQJNSAR-HXUWFJFHSA-N 1 2 357.475 2.433 20 30 FEEDLO C#CC[N@@H+](Cc1ccccc1)C[C@@](C)(O)c1ccc(S(C)(=O)=O)cc1 ZINC000298563852 553441274 /nfs/dbraw/zinc/44/12/74/553441274.db2.gz PSAFOFTXQJNSAR-HXUWFJFHSA-N 1 2 357.475 2.433 20 30 FEEDLO Cc1ccn2cc(CNC(=O)CCc3c(C)[nH]c(=O)c(C#N)c3C)[nH+]c2c1 ZINC000298911774 553488308 /nfs/dbraw/zinc/48/83/08/553488308.db2.gz DUMXCUFKQMOCDW-UHFFFAOYSA-N 1 2 363.421 2.481 20 30 FEEDLO C=CCN(CCc1ccccc1)C(=O)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000298942837 553492868 /nfs/dbraw/zinc/49/28/68/553492868.db2.gz DVNMMGNGMWPGEA-SFHVURJKSA-N 1 2 366.465 2.373 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)N2CC[NH+](C3CC3)CC2)c(C(F)(F)F)c1 ZINC000299354995 553552107 /nfs/dbraw/zinc/55/21/07/553552107.db2.gz SFONMBVUUVPNKC-UHFFFAOYSA-N 1 2 359.373 2.046 20 30 FEEDLO N#Cc1ccc(N2CC[C@H]([NH+]3CCC(O)(C(F)(F)F)CC3)C2=O)cc1 ZINC000299578253 553583909 /nfs/dbraw/zinc/58/39/09/553583909.db2.gz HMPCCABPNQSHQR-AWEZNQCLSA-N 1 2 353.344 2.053 20 30 FEEDLO N#Cc1ccc(N2CC[C@@H]([NH+]3CCN(c4cncc(F)c4)CC3)C2=O)cc1 ZINC000299734797 553609990 /nfs/dbraw/zinc/60/99/90/553609990.db2.gz ZXOGDRJYDHOGSQ-LJQANCHMSA-N 1 2 365.412 2.020 20 30 FEEDLO C#CC[NH+]1CCN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)CC1 ZINC000302191788 553709526 /nfs/dbraw/zinc/70/95/26/553709526.db2.gz ZJPUTWWASSFNKL-UHFFFAOYSA-N 1 2 352.394 2.324 20 30 FEEDLO CO[C@H](C)c1noc(C[N@@H+]2CCCN(c3c(C#N)cccc3C#N)CC2)n1 ZINC000302905228 553741214 /nfs/dbraw/zinc/74/12/14/553741214.db2.gz VROOFDMXBFOSHY-CQSZACIVSA-N 1 2 366.425 2.233 20 30 FEEDLO CO[C@H](C)c1noc(C[N@H+]2CCCN(c3c(C#N)cccc3C#N)CC2)n1 ZINC000302905228 553741215 /nfs/dbraw/zinc/74/12/15/553741215.db2.gz VROOFDMXBFOSHY-CQSZACIVSA-N 1 2 366.425 2.233 20 30 FEEDLO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000321360669 553766548 /nfs/dbraw/zinc/76/65/48/553766548.db2.gz YKIZGMYGKHRFCA-TZMCWYRMSA-N 1 2 353.875 2.459 20 30 FEEDLO C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000321360669 553766550 /nfs/dbraw/zinc/76/65/50/553766550.db2.gz YKIZGMYGKHRFCA-TZMCWYRMSA-N 1 2 353.875 2.459 20 30 FEEDLO CCOC1CC(CNC(=O)Nc2sc(C)nc2C)([NH+]2CCOCC2)C1 ZINC000328613912 553796257 /nfs/dbraw/zinc/79/62/57/553796257.db2.gz QSHQLRPFPNHYNX-UHFFFAOYSA-N 1 2 368.503 2.356 20 30 FEEDLO Cc1nc(C[N@@H+](C)[C@@H]2CCCN(C(=O)c3sccc3C#N)CC2)no1 ZINC000328631755 553799444 /nfs/dbraw/zinc/79/94/44/553799444.db2.gz KVVQSSVABUQXOE-CQSZACIVSA-N 1 2 359.455 2.438 20 30 FEEDLO Cc1nc(C[N@H+](C)[C@@H]2CCCN(C(=O)c3sccc3C#N)CC2)no1 ZINC000328631755 553799446 /nfs/dbraw/zinc/79/94/46/553799446.db2.gz KVVQSSVABUQXOE-CQSZACIVSA-N 1 2 359.455 2.438 20 30 FEEDLO Cc1nc2c(cccc2C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)[nH]1 ZINC000328685847 553807153 /nfs/dbraw/zinc/80/71/53/553807153.db2.gz FWASTRGCLZJMPQ-SFHVURJKSA-N 1 2 360.483 2.384 20 30 FEEDLO O=C(NC[C@@H]1CCC2(CCOCC2)[C@@H]1O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000328701520 553809066 /nfs/dbraw/zinc/80/90/66/553809066.db2.gz NJWHFOFCLLQJDP-RCCFBDPRSA-N 1 2 366.502 2.012 20 30 FEEDLO O=C(NC[C@@H]1CCC2(CCOCC2)[C@@H]1O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000328701520 553809067 /nfs/dbraw/zinc/80/90/67/553809067.db2.gz NJWHFOFCLLQJDP-RCCFBDPRSA-N 1 2 366.502 2.012 20 30 FEEDLO Cn1cc[nH+]c1[C@@H]1CN(C(=O)Nc2nccn2-c2ccccc2)CCN1C ZINC000328713759 553811210 /nfs/dbraw/zinc/81/12/10/553811210.db2.gz CBTAIRNHIRGVCI-INIZCTEOSA-N 1 2 365.441 2.140 20 30 FEEDLO CC[C@@H](C(=O)Nc1ccc(N2CCOCC2)cn1)[N@@H+]1CCO[C@H](CC)C1 ZINC000328755946 553816813 /nfs/dbraw/zinc/81/68/13/553816813.db2.gz FOWJJWAMGIWYMM-SJORKVTESA-N 1 2 362.474 2.396 20 30 FEEDLO CC[C@@H](C(=O)Nc1ccc(N2CCOCC2)cn1)[N@H+]1CCO[C@H](CC)C1 ZINC000328755946 553816817 /nfs/dbraw/zinc/81/68/17/553816817.db2.gz FOWJJWAMGIWYMM-SJORKVTESA-N 1 2 362.474 2.396 20 30 FEEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)NC[C@@H]3CCCO[C@@H]3C(C)(C)C)C[C@@H]21 ZINC000328881289 553837907 /nfs/dbraw/zinc/83/79/07/553837907.db2.gz MEVUFZIKQFALHF-NXOAAHMSSA-N 1 2 353.507 2.147 20 30 FEEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)NC[C@@H]3CCCO[C@@H]3C(C)(C)C)C[C@@H]21 ZINC000328881289 553837911 /nfs/dbraw/zinc/83/79/11/553837911.db2.gz MEVUFZIKQFALHF-NXOAAHMSSA-N 1 2 353.507 2.147 20 30 FEEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)N[C@H](c3ccccc3)c3ccccn3)C[C@H]21 ZINC000328991463 553860145 /nfs/dbraw/zinc/86/01/45/553860145.db2.gz VKZKCZMUXFFHNN-VAMGGRTRSA-N 1 2 366.465 2.490 20 30 FEEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)N[C@H](c3ccccc3)c3ccccn3)C[C@H]21 ZINC000328991463 553860148 /nfs/dbraw/zinc/86/01/48/553860148.db2.gz VKZKCZMUXFFHNN-VAMGGRTRSA-N 1 2 366.465 2.490 20 30 FEEDLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N[C@H]1CCO[C@@H]1c1nccn1C ZINC000329049750 553871557 /nfs/dbraw/zinc/87/15/57/553871557.db2.gz QXDTWWVWGRMYNV-AIANPOQGSA-N 1 2 355.442 2.374 20 30 FEEDLO Cn1c[nH+]cc1[C@H]1[C@H](NC(=O)c2cccc(C#N)c2)CCC(=O)N1C1CC1 ZINC000329058075 553873274 /nfs/dbraw/zinc/87/32/74/553873274.db2.gz YIGDGRRBOQDLOZ-VQIMIIECSA-N 1 2 363.421 2.491 20 30 FEEDLO C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[N@@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000329083633 553877448 /nfs/dbraw/zinc/87/74/48/553877448.db2.gz STZZNFBPYCLFRB-AOIWGVFYSA-N 1 2 354.491 2.420 20 30 FEEDLO C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[N@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000329083633 553877449 /nfs/dbraw/zinc/87/74/49/553877449.db2.gz STZZNFBPYCLFRB-AOIWGVFYSA-N 1 2 354.491 2.420 20 30 FEEDLO O=C(NCc1cn2c([nH+]1)CCCC2)N[C@H]1CC(=O)N(C2CCCCC2)C1 ZINC000329145698 553889062 /nfs/dbraw/zinc/88/90/62/553889062.db2.gz NWXVYFMHTVFMHH-AWEZNQCLSA-N 1 2 359.474 2.157 20 30 FEEDLO CCc1nc2n(n1)C[C@@H]([NH+]=C([O-])N1CCC(Cc3ccc[nH+]c3)CC1)CC2 ZINC000329161726 553892105 /nfs/dbraw/zinc/89/21/05/553892105.db2.gz ZETRHCXVVXVZCC-KRWDZBQOSA-N 1 2 368.485 2.419 20 30 FEEDLO Cc1ncc(C(=O)Nc2ccc3[nH]c(N4CCOCC4)[nH+]c3c2)c(C)n1 ZINC000329220239 553905425 /nfs/dbraw/zinc/90/54/25/553905425.db2.gz BERWMPPSUOGYSK-UHFFFAOYSA-N 1 2 352.398 2.443 20 30 FEEDLO C[C@H](NC(=O)N[C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1)c1nnc2n1CCC2 ZINC000329244158 553909997 /nfs/dbraw/zinc/90/99/97/553909997.db2.gz UGXZZKQIUCEVKB-QWHCGFSZSA-N 1 2 371.489 2.298 20 30 FEEDLO O=C(NCC[NH+]1CCN(C(=O)C2CCC2)CC1)c1cccnc1C1CC1 ZINC000329305287 553921767 /nfs/dbraw/zinc/92/17/67/553921767.db2.gz ARQYEOARJNKMAA-UHFFFAOYSA-N 1 2 356.470 2.208 20 30 FEEDLO C[C@H]1CN(C(=O)Nc2csc(-c3ccccn3)n2)C[C@@H]1[NH+]1CCOCC1 ZINC000329403760 553939770 /nfs/dbraw/zinc/93/97/70/553939770.db2.gz CFWBYPGIHGVDAQ-ZFWWWQNUSA-N 1 2 373.482 2.403 20 30 FEEDLO [O-]C(=[NH+]c1cc(F)c(F)cc1N1CCOCC1)N1CCn2cc[nH+]c2C1 ZINC000329415123 553942004 /nfs/dbraw/zinc/94/20/04/553942004.db2.gz FFPOBAFCYOIFDF-UHFFFAOYSA-N 1 2 363.368 2.059 20 30 FEEDLO CC1(C)COCC[N@@H+]1CCNC(=O)N1CCO[C@@H](C2CCCCC2)C1 ZINC000329555470 553966723 /nfs/dbraw/zinc/96/67/23/553966723.db2.gz DTABMBVAPKJNAK-QGZVFWFLSA-N 1 2 353.507 2.292 20 30 FEEDLO CC1(C)COCC[N@H+]1CCNC(=O)N1CCO[C@@H](C2CCCCC2)C1 ZINC000329555470 553966726 /nfs/dbraw/zinc/96/67/26/553966726.db2.gz DTABMBVAPKJNAK-QGZVFWFLSA-N 1 2 353.507 2.292 20 30 FEEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)N[C@H]3c4ccccc4CC34CCOCC4)C[C@@H]21 ZINC000329628236 553978778 /nfs/dbraw/zinc/97/87/78/553978778.db2.gz UNUYXWMZSRRMJW-OTWHNJEPSA-N 1 2 371.481 2.009 20 30 FEEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)N[C@H]3c4ccccc4CC34CCOCC4)C[C@@H]21 ZINC000329628236 553978780 /nfs/dbraw/zinc/97/87/80/553978780.db2.gz UNUYXWMZSRRMJW-OTWHNJEPSA-N 1 2 371.481 2.009 20 30 FEEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N[C@H]1CS(=O)(=O)c3ccccc31)CCC2 ZINC000329643751 553981255 /nfs/dbraw/zinc/98/12/55/553981255.db2.gz IHKSIBWHJUQCKP-ZFWWWQNUSA-N 1 2 374.466 2.101 20 30 FEEDLO Cc1nc([C@@H]2CCCN(C(=O)NC[C@H]3C[N@H+](C)CCO3)C2)sc1C ZINC000329748311 553998953 /nfs/dbraw/zinc/99/89/53/553998953.db2.gz SVGAVLKMIYCIQM-CABCVRRESA-N 1 2 352.504 2.184 20 30 FEEDLO Cc1nc([C@@H]2CCCN(C(=O)NC[C@H]3C[N@@H+](C)CCO3)C2)sc1C ZINC000329748311 553998954 /nfs/dbraw/zinc/99/89/54/553998954.db2.gz SVGAVLKMIYCIQM-CABCVRRESA-N 1 2 352.504 2.184 20 30 FEEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)C[C@@H]21 ZINC000329770347 554002799 /nfs/dbraw/zinc/00/27/99/554002799.db2.gz FXONYTNZVMUTIU-UONOGXRCSA-N 1 2 354.332 2.137 20 30 FEEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)C[C@@H]21 ZINC000329770347 554002802 /nfs/dbraw/zinc/00/28/02/554002802.db2.gz FXONYTNZVMUTIU-UONOGXRCSA-N 1 2 354.332 2.137 20 30 FEEDLO O=C(Nc1ccc2[nH]c(N3CCOCC3)[nH+]c2c1)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC000329781943 554004664 /nfs/dbraw/zinc/00/46/64/554004664.db2.gz NODLWMRAXBMFHT-RVSPLBMKSA-N 1 2 372.425 2.039 20 30 FEEDLO O=C(Nc1ccc2[nH]c(N3CCOCC3)[nH+]c2c1)[C@@H]1OC[C@H]2COCC[C@@H]21 ZINC000329781942 554004684 /nfs/dbraw/zinc/00/46/84/554004684.db2.gz NODLWMRAXBMFHT-HACGYAERSA-N 1 2 372.425 2.039 20 30 FEEDLO CCC[C@@H]1C[C@@H]1NC(=O)N1CC[NH+](CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000329805923 554009239 /nfs/dbraw/zinc/00/92/39/554009239.db2.gz NKSOQJNILBUIOZ-BBWFWOEESA-N 1 2 350.507 2.108 20 30 FEEDLO COCCn1cc2c(n1)[C@@H](NC(=O)NCc1cn3c([nH+]1)CCCC3)CCC2 ZINC000329825631 554013104 /nfs/dbraw/zinc/01/31/04/554013104.db2.gz IFNQVWBAWRUGDR-INIZCTEOSA-N 1 2 372.473 2.144 20 30 FEEDLO Cn1cc[nH+]c1[C@H](NC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1)C1CC1 ZINC000507402809 561728118 /nfs/dbraw/zinc/72/81/18/561728118.db2.gz MVRFJIDQWHCSFN-MRXNPFEDSA-N 1 2 365.437 2.427 20 30 FEEDLO CC[N@@H+](CC(=O)N[C@@H]1CCS(=O)(=O)C1)C[C@@H]1CCC2(CCCCC2)O1 ZINC000329850408 554018249 /nfs/dbraw/zinc/01/82/49/554018249.db2.gz SEUCTMHOGDZETL-CVEARBPZSA-N 1 2 372.531 2.334 20 30 FEEDLO CC[N@H+](CC(=O)N[C@@H]1CCS(=O)(=O)C1)C[C@@H]1CCC2(CCCCC2)O1 ZINC000329850408 554018253 /nfs/dbraw/zinc/01/82/53/554018253.db2.gz SEUCTMHOGDZETL-CVEARBPZSA-N 1 2 372.531 2.334 20 30 FEEDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)C1 ZINC000507293412 561723988 /nfs/dbraw/zinc/72/39/88/561723988.db2.gz ZUOYLPARVIOGIX-MGPUTAFESA-N 1 2 374.485 2.463 20 30 FEEDLO C[C@@H]1CCCC[C@H]1NC(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1 ZINC000329904270 554028584 /nfs/dbraw/zinc/02/85/84/554028584.db2.gz JAIZVHXCZJFIJP-BSWAZPDLSA-N 1 2 351.470 2.415 20 30 FEEDLO C[C@@H]1CCCC[C@H]1NC(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1 ZINC000329904270 554028587 /nfs/dbraw/zinc/02/85/87/554028587.db2.gz JAIZVHXCZJFIJP-BSWAZPDLSA-N 1 2 351.470 2.415 20 30 FEEDLO O=C(C[NH+]1CCN(c2ccc3ccccc3n2)CC1)NC1CCOCC1 ZINC000329915892 554030998 /nfs/dbraw/zinc/03/09/98/554030998.db2.gz PZJCTTJNRBTVFD-UHFFFAOYSA-N 1 2 354.454 2.492 20 30 FEEDLO C[C@@H]1OCC[C@]12C[N@H+](CC(=O)Nc1ccc3c(c1)OCCCO3)CCO2 ZINC000329925993 554032812 /nfs/dbraw/zinc/03/28/12/554032812.db2.gz VWYYIRMOGOKVFX-LIRRHRJNSA-N 1 2 362.426 2.316 20 30 FEEDLO C[C@@H]1OCC[C@]12C[N@@H+](CC(=O)Nc1ccc3c(c1)OCCCO3)CCO2 ZINC000329925993 554032814 /nfs/dbraw/zinc/03/28/14/554032814.db2.gz VWYYIRMOGOKVFX-LIRRHRJNSA-N 1 2 362.426 2.316 20 30 FEEDLO C[C@H](C(=O)Nc1ccccc1OC(F)F)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000329933344 554034308 /nfs/dbraw/zinc/03/43/08/554034308.db2.gz PYPVZEWBWPEPSN-KYOSRNDESA-N 1 2 355.385 2.279 20 30 FEEDLO C[C@H](C(=O)Nc1ccccc1OC(F)F)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000329933344 554034310 /nfs/dbraw/zinc/03/43/10/554034310.db2.gz PYPVZEWBWPEPSN-KYOSRNDESA-N 1 2 355.385 2.279 20 30 FEEDLO C[C@H](C(=O)Nc1ccccc1OC(F)F)[N@H+]1C[C@@H]2[C@H](C1)OCCN2C ZINC000329933344 554034312 /nfs/dbraw/zinc/03/43/12/554034312.db2.gz PYPVZEWBWPEPSN-KYOSRNDESA-N 1 2 355.385 2.279 20 30 FEEDLO C[C@H](C(=O)Nc1ccccc1OC(F)F)[N@@H+]1C[C@@H]2[C@H](C1)OCCN2C ZINC000329933344 554034314 /nfs/dbraw/zinc/03/43/14/554034314.db2.gz PYPVZEWBWPEPSN-KYOSRNDESA-N 1 2 355.385 2.279 20 30 FEEDLO Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNC(=O)NCC1CCOCC1 ZINC000329935642 554034923 /nfs/dbraw/zinc/03/49/23/554034923.db2.gz KMVXJNIXKODNSJ-HOTGVXAUSA-N 1 2 368.453 2.134 20 30 FEEDLO Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNC(=O)NCC1CCOCC1 ZINC000329935642 554034926 /nfs/dbraw/zinc/03/49/26/554034926.db2.gz KMVXJNIXKODNSJ-HOTGVXAUSA-N 1 2 368.453 2.134 20 30 FEEDLO Cc1nc(C)c(C(=O)NC[C@@H]2C[C@H](F)CN2Cc2[nH+]ccn2C)nc1C ZINC000329937705 554035292 /nfs/dbraw/zinc/03/52/92/554035292.db2.gz LRRYXGAOYGYEPL-GJZGRUSLSA-N 1 2 360.437 2.053 20 30 FEEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)Nc3ccc4c(c3)OC3(CCCC3)O4)C[C@@H]21 ZINC000329947232 554036905 /nfs/dbraw/zinc/03/69/05/554036905.db2.gz YFUPTRCORYUKOA-YOEHRIQHSA-N 1 2 359.426 2.288 20 30 FEEDLO C[N@H+]1CCO[C@H]2CN(C(=O)Nc3ccc4c(c3)OC3(CCCC3)O4)C[C@@H]21 ZINC000329947232 554036906 /nfs/dbraw/zinc/03/69/06/554036906.db2.gz YFUPTRCORYUKOA-YOEHRIQHSA-N 1 2 359.426 2.288 20 30 FEEDLO C[C@H]1CN(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C[C@@H](CO)O1 ZINC000329960405 554038876 /nfs/dbraw/zinc/03/88/76/554038876.db2.gz RCNRDJBFRSGYJK-HOCLYGCPSA-N 1 2 368.437 2.229 20 30 FEEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)Nc3cccc(-c4noc(C5CC5)n4)c3)C[C@H]21 ZINC000329984214 554044073 /nfs/dbraw/zinc/04/40/73/554044073.db2.gz QEPVXIKVIHSBHT-CVEARBPZSA-N 1 2 369.425 2.174 20 30 FEEDLO C[N@H+]1CCO[C@H]2CN(C(=O)Nc3cccc(-c4noc(C5CC5)n4)c3)C[C@H]21 ZINC000329984214 554044074 /nfs/dbraw/zinc/04/40/74/554044074.db2.gz QEPVXIKVIHSBHT-CVEARBPZSA-N 1 2 369.425 2.174 20 30 FEEDLO C[C@@H]1C[N@H+](CC(=O)NCCO[C@@H]2CCCC[C@@H]2C)C[C@]2(CCOC2)O1 ZINC000330083834 554061957 /nfs/dbraw/zinc/06/19/57/554061957.db2.gz QSEJFAWTFFRKBZ-FAJBIJEISA-N 1 2 354.491 2.418 20 30 FEEDLO C[C@@H]1C[N@@H+](CC(=O)NCCO[C@@H]2CCCC[C@@H]2C)C[C@]2(CCOC2)O1 ZINC000330083834 554061958 /nfs/dbraw/zinc/06/19/58/554061958.db2.gz QSEJFAWTFFRKBZ-FAJBIJEISA-N 1 2 354.491 2.418 20 30 FEEDLO C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)N[C@@H]2CCCc3cn[nH]c32)C[C@@H](C)O1 ZINC000330147263 554073748 /nfs/dbraw/zinc/07/37/48/554073748.db2.gz UAGIIEZLWXBCSM-TXCZRRACSA-N 1 2 361.490 2.275 20 30 FEEDLO CC[C@@H]1C[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C[C@@]2(CCOC2)O1 ZINC000330166928 554077389 /nfs/dbraw/zinc/07/73/89/554077389.db2.gz YLYQMYDIKIRYLB-VQIMIIECSA-N 1 2 354.410 2.378 20 30 FEEDLO CC[C@@H]1C[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C[C@@]2(CCOC2)O1 ZINC000330166928 554077390 /nfs/dbraw/zinc/07/73/90/554077390.db2.gz YLYQMYDIKIRYLB-VQIMIIECSA-N 1 2 354.410 2.378 20 30 FEEDLO Cc1nc(CN2CCCN(C([O-])=[NH+][C@H]3CCn4cc[nH+]c4C3)CC2)cs1 ZINC000330202414 554084306 /nfs/dbraw/zinc/08/43/06/554084306.db2.gz ZGLROFPSPHKKEJ-HNNXBMFYSA-N 1 2 374.514 2.085 20 30 FEEDLO CCn1cc[nH+]c1[C@@H](NC(=O)N1CC2(C1)CCOCC2)C1CCOCC1 ZINC000330209908 554085656 /nfs/dbraw/zinc/08/56/56/554085656.db2.gz HXYXFLULKGJOCU-INIZCTEOSA-N 1 2 362.474 2.397 20 30 FEEDLO C[C@H](NC(=O)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1)c1nc(C(F)(F)F)cs1 ZINC000330246854 554092357 /nfs/dbraw/zinc/09/23/57/554092357.db2.gz YMIBZMNODYPILW-GUBZILKMSA-N 1 2 364.393 2.152 20 30 FEEDLO C[C@H](NC(=O)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1)c1nc(C(F)(F)F)cs1 ZINC000330246854 554092360 /nfs/dbraw/zinc/09/23/60/554092360.db2.gz YMIBZMNODYPILW-GUBZILKMSA-N 1 2 364.393 2.152 20 30 FEEDLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)N[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000330277263 554097776 /nfs/dbraw/zinc/09/77/76/554097776.db2.gz NZPHLOUYCSXHRO-YTQUADARSA-N 1 2 370.497 2.085 20 30 FEEDLO CCO[C@@H]1C[C@H](NC(=O)N[C@@H]2CCO[C@@H](c3c[nH+]cn3C)C2)C12CCC2 ZINC000330322490 554105088 /nfs/dbraw/zinc/10/50/88/554105088.db2.gz GWZFBAZBICMHNM-MXASKKJJSA-N 1 2 362.474 2.492 20 30 FEEDLO CSC1(CNC(=O)N[C@@H]2CCO[C@H](c3c[nH+]cn3C)C2)CCOCC1 ZINC000330340774 554108167 /nfs/dbraw/zinc/10/81/67/554108167.db2.gz YKFZSBRTBALLHL-HIFRSBDPSA-N 1 2 368.503 2.056 20 30 FEEDLO CC(C)C(=O)NC[C@@H]1CCCN(C(=O)NCc2ccc[nH+]c2N(C)C)C1 ZINC000330452633 554123117 /nfs/dbraw/zinc/12/31/17/554123117.db2.gz UZMWEUATDMCLDR-HNNXBMFYSA-N 1 2 361.490 2.046 20 30 FEEDLO CC(C)CNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2noc(C(C)C)n2)C1 ZINC000330498653 554129988 /nfs/dbraw/zinc/12/99/88/554129988.db2.gz CEXNCVGEKJTSEZ-KBPBESRZSA-N 1 2 365.478 2.447 20 30 FEEDLO CC(C)CNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H](c2noc(C(C)C)n2)C1 ZINC000330498653 554129991 /nfs/dbraw/zinc/12/99/91/554129991.db2.gz CEXNCVGEKJTSEZ-KBPBESRZSA-N 1 2 365.478 2.447 20 30 FEEDLO Cc1cc(N2CCN(C(=O)N[C@H]3CCC[C@@H]3C#N)CC2)nc(C(C)C)[nH+]1 ZINC000332197252 554398831 /nfs/dbraw/zinc/39/88/31/554398831.db2.gz ZCDIUUCZYGLRAE-CVEARBPZSA-N 1 2 356.474 2.432 20 30 FEEDLO Cc1cc[nH+]cc1N1CCN(S(=O)(=O)Cc2cc(C#N)ccc2F)CC1 ZINC000332548421 554469336 /nfs/dbraw/zinc/46/93/36/554469336.db2.gz OHOYOTQGZMPWOP-UHFFFAOYSA-N 1 2 374.441 2.053 20 30 FEEDLO N#Cc1ccc2[nH+]cc(CN3CCN(C(=O)c4ccsc4)CC3)n2c1 ZINC000510214262 561828414 /nfs/dbraw/zinc/82/84/14/561828414.db2.gz PXJIHJZQNMHEIW-UHFFFAOYSA-N 1 2 351.435 2.225 20 30 FEEDLO CC(C)(C#N)CNC(=O)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000510664419 561842632 /nfs/dbraw/zinc/84/26/32/561842632.db2.gz FUBFOZLRDRZEED-UHFFFAOYSA-N 1 2 365.437 2.491 20 30 FEEDLO CC(C)(C#N)CNC(=O)C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000510687279 561843349 /nfs/dbraw/zinc/84/33/49/561843349.db2.gz WQWYLHLVJROWIH-UHFFFAOYSA-N 1 2 353.426 2.367 20 30 FEEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H](C(=O)Nc3nccs3)C2)cc1 ZINC000363157821 555042774 /nfs/dbraw/zinc/04/27/74/555042774.db2.gz OBLGNEIRUOMHBD-AWEZNQCLSA-N 1 2 369.450 2.304 20 30 FEEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@H](C(=O)Nc3nccs3)C2)cc1 ZINC000363157821 555042775 /nfs/dbraw/zinc/04/27/75/555042775.db2.gz OBLGNEIRUOMHBD-AWEZNQCLSA-N 1 2 369.450 2.304 20 30 FEEDLO CC(C)(C)C(=O)N1CCC[N@@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000363230248 555059320 /nfs/dbraw/zinc/05/93/20/555059320.db2.gz FSJDYTOGUNFUNI-GOSISDBHSA-N 1 2 368.481 2.244 20 30 FEEDLO CC(C)(C)C(=O)N1CCC[N@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000363230248 555059324 /nfs/dbraw/zinc/05/93/24/555059324.db2.gz FSJDYTOGUNFUNI-GOSISDBHSA-N 1 2 368.481 2.244 20 30 FEEDLO Cc1nc([C@H]2CCC[N@@H+]([C@@H]3CCN(c4sccc4C#N)C3=O)C2)no1 ZINC000363634118 555151248 /nfs/dbraw/zinc/15/12/48/555151248.db2.gz BJCPXDOUALSOGS-UONOGXRCSA-N 1 2 357.439 2.296 20 30 FEEDLO Cc1nc([C@H]2CCC[N@H+]([C@@H]3CCN(c4sccc4C#N)C3=O)C2)no1 ZINC000363634118 555151251 /nfs/dbraw/zinc/15/12/51/555151251.db2.gz BJCPXDOUALSOGS-UONOGXRCSA-N 1 2 357.439 2.296 20 30 FEEDLO C=C(C)C[N@H+](CC(=O)NCc1ccc2c(c1)OCO2)Cc1ccc(CO)o1 ZINC000512214438 561896156 /nfs/dbraw/zinc/89/61/56/561896156.db2.gz WBKDDNOXBSZBRE-UHFFFAOYSA-N 1 2 372.421 2.195 20 30 FEEDLO C=C(C)C[N@@H+](CC(=O)NCc1ccc2c(c1)OCO2)Cc1ccc(CO)o1 ZINC000512214438 561896157 /nfs/dbraw/zinc/89/61/57/561896157.db2.gz WBKDDNOXBSZBRE-UHFFFAOYSA-N 1 2 372.421 2.195 20 30 FEEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000512215804 561896476 /nfs/dbraw/zinc/89/64/76/561896476.db2.gz XXHIQVRJVSXCKU-AWEZNQCLSA-N 1 2 371.437 2.276 20 30 FEEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000512215804 561896477 /nfs/dbraw/zinc/89/64/77/561896477.db2.gz XXHIQVRJVSXCKU-AWEZNQCLSA-N 1 2 371.437 2.276 20 30 FEEDLO N#C[C@]1(C(=O)N2CC[NH+](Cc3ccccn3)CC2)CCc2ccccc2C1 ZINC000364658076 555365322 /nfs/dbraw/zinc/36/53/22/555365322.db2.gz IGMFDNZOHQYBIL-QFIPXVFZSA-N 1 2 360.461 2.425 20 30 FEEDLO C[C@H]([C@H]1Cc2ccccc2O1)[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000367298240 556011970 /nfs/dbraw/zinc/01/19/70/556011970.db2.gz BRKYPMZMINIEIQ-RDTXWAMCSA-N 1 2 371.462 2.051 20 30 FEEDLO C[C@H]([C@H]1Cc2ccccc2O1)[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000367298240 556011972 /nfs/dbraw/zinc/01/19/72/556011972.db2.gz BRKYPMZMINIEIQ-RDTXWAMCSA-N 1 2 371.462 2.051 20 30 FEEDLO C=CCOCCCC(=O)N1CCN(Cc2c(C)[nH+]c3n2CCCC3)CC1 ZINC000367448105 556052066 /nfs/dbraw/zinc/05/20/66/556052066.db2.gz KZPJGFDJVLQPPU-UHFFFAOYSA-N 1 2 360.502 2.155 20 30 FEEDLO N#Cc1ccc(-c2nnc(C[NH+]3CCN(c4ccc(F)cn4)CC3)o2)cc1 ZINC000367661394 556107758 /nfs/dbraw/zinc/10/77/58/556107758.db2.gz QORBOAZQDCFESG-UHFFFAOYSA-N 1 2 364.384 2.465 20 30 FEEDLO C=CCC[C@H](NC(=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000515245718 562002357 /nfs/dbraw/zinc/00/23/57/562002357.db2.gz ZTNRTSXLMMQQNT-IRXDYDNUSA-N 1 2 352.438 2.138 20 30 FEEDLO N#Cc1cccnc1N1CCC[N@H+](Cc2nnc(C3CC3)n2C2CC2)CC1 ZINC000368620834 556365812 /nfs/dbraw/zinc/36/58/12/556365812.db2.gz FGVDAYURBGFWJJ-UHFFFAOYSA-N 1 2 363.469 2.469 20 30 FEEDLO N#Cc1cccnc1N1CCC[N@@H+](Cc2nnc(C3CC3)n2C2CC2)CC1 ZINC000368620834 556365817 /nfs/dbraw/zinc/36/58/17/556365817.db2.gz FGVDAYURBGFWJJ-UHFFFAOYSA-N 1 2 363.469 2.469 20 30 FEEDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)NCCOc2ccc(C#N)cc2)C1 ZINC000368916559 556447758 /nfs/dbraw/zinc/44/77/58/556447758.db2.gz ZSDJPHSAJVXEPH-INIZCTEOSA-N 1 2 353.426 2.260 20 30 FEEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000368975487 556464644 /nfs/dbraw/zinc/46/46/44/556464644.db2.gz RKJBMDTUVSDACE-FTYZYXLQSA-N 1 2 360.845 2.124 20 30 FEEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000368975487 556464647 /nfs/dbraw/zinc/46/46/47/556464647.db2.gz RKJBMDTUVSDACE-FTYZYXLQSA-N 1 2 360.845 2.124 20 30 FEEDLO Cc1cn2c([nH+]1)CN(S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1)CC2 ZINC000369201485 556534480 /nfs/dbraw/zinc/53/44/80/556534480.db2.gz AMGPKLPKLUOEND-UHFFFAOYSA-N 1 2 370.356 2.287 20 30 FEEDLO CCc1nc(C[NH+]2C[C@@H]3CN(c4ncc(C#N)cc4Cl)C[C@H]3C2)no1 ZINC000369384028 556586496 /nfs/dbraw/zinc/58/64/96/556586496.db2.gz AAWGTVKYUXMOHU-CHWSQXEVSA-N 1 2 358.833 2.120 20 30 FEEDLO CC[C@@H]1C[N@H+](CC(=O)N(C)C2(C#N)CCCCC2)C[C@]2(CCCOC2)O1 ZINC000369537550 556624518 /nfs/dbraw/zinc/62/45/18/556624518.db2.gz RSKJISJXHBPGKN-XLIONFOSSA-N 1 2 363.502 2.331 20 30 FEEDLO CC[C@@H]1C[N@@H+](CC(=O)N(C)C2(C#N)CCCCC2)C[C@]2(CCCOC2)O1 ZINC000369537550 556624519 /nfs/dbraw/zinc/62/45/19/556624519.db2.gz RSKJISJXHBPGKN-XLIONFOSSA-N 1 2 363.502 2.331 20 30 FEEDLO CC(C)Cn1cnnc1[C@H]1CCC[N@@H+]1C[C@@H](O)COc1ccc(C#N)cc1 ZINC000369543387 556626230 /nfs/dbraw/zinc/62/62/30/556626230.db2.gz GEBYAEIVQSYXIZ-IEBWSBKVSA-N 1 2 369.469 2.383 20 30 FEEDLO CC(C)Cn1cnnc1[C@H]1CCC[N@H+]1C[C@@H](O)COc1ccc(C#N)cc1 ZINC000369543387 556626232 /nfs/dbraw/zinc/62/62/32/556626232.db2.gz GEBYAEIVQSYXIZ-IEBWSBKVSA-N 1 2 369.469 2.383 20 30 FEEDLO C[C@H](CNC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1)[NH+]1CCOCC1 ZINC000369748300 556684607 /nfs/dbraw/zinc/68/46/07/556684607.db2.gz JMZMRFWZIZLIQA-NEWSRXKRSA-N 1 2 356.470 2.188 20 30 FEEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[NH+]1CCC(CN2CCCC2=O)CC1 ZINC000370228813 556816394 /nfs/dbraw/zinc/81/63/94/556816394.db2.gz ZTSYWVLJIKGHHT-LJQANCHMSA-N 1 2 355.438 2.107 20 30 FEEDLO N#CCCN(C(=O)C[NH+]1CCN(c2cnccc2C#N)CC1)c1ccccc1 ZINC000516860440 562061040 /nfs/dbraw/zinc/06/10/40/562061040.db2.gz QHBAAJKAVSCPCM-UHFFFAOYSA-N 1 2 374.448 2.022 20 30 FEEDLO CN(C)c1ccc(NC(=O)C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000370730549 556951534 /nfs/dbraw/zinc/95/15/34/556951534.db2.gz OZPYSUWRXQYLKI-SFHVURJKSA-N 1 2 365.437 2.111 20 30 FEEDLO CN(C)c1ccc(NC(=O)C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000370730549 556951536 /nfs/dbraw/zinc/95/15/36/556951536.db2.gz OZPYSUWRXQYLKI-SFHVURJKSA-N 1 2 365.437 2.111 20 30 FEEDLO C=CCCCC[NH+]1CCN(C(=O)c2cccc(S(C)(=O)=O)c2)CC1 ZINC000517071767 562074752 /nfs/dbraw/zinc/07/47/52/562074752.db2.gz GAMDTCFRXXTCGC-UHFFFAOYSA-N 1 2 350.484 2.204 20 30 FEEDLO C=C[C@H](CC(=O)N1CC[NH+](C2(C(N)=O)CCCC2)CC1)c1ccccc1 ZINC000371156196 557091505 /nfs/dbraw/zinc/09/15/05/557091505.db2.gz SWPJOSARMDRDTH-QGZVFWFLSA-N 1 2 355.482 2.289 20 30 FEEDLO C=C[C@H](CC(=O)NC[C@]1([NH+]2CCOCC2)CCCOC1)c1ccccc1 ZINC000371301191 557137331 /nfs/dbraw/zinc/13/73/31/557137331.db2.gz SQKISGFEDWVJTO-WIYYLYMNSA-N 1 2 358.482 2.344 20 30 FEEDLO N#Cc1ccsc1NC(=O)C[NH+]1CCC2(C[C@@H]2C(=O)N2CCCC2)CC1 ZINC000371388499 557170127 /nfs/dbraw/zinc/17/01/27/557170127.db2.gz NMBDMYQKHQLDMD-OAHLLOKOSA-N 1 2 372.494 2.283 20 30 FEEDLO C[C@@H](CS(C)(=O)=O)[N@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)C1CC1 ZINC000371526684 557210020 /nfs/dbraw/zinc/21/00/20/557210020.db2.gz SFSUDXBQZYMLTG-AWEZNQCLSA-N 1 2 372.494 2.356 20 30 FEEDLO C[C@@H](CS(C)(=O)=O)[N@@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)C1CC1 ZINC000371526684 557210023 /nfs/dbraw/zinc/21/00/23/557210023.db2.gz SFSUDXBQZYMLTG-AWEZNQCLSA-N 1 2 372.494 2.356 20 30 FEEDLO N#Cc1ccc(N2CCN(C(=O)[C@H]3CCn4cc[nH+]c4C3)CC2)c(Cl)c1 ZINC000373117127 557632274 /nfs/dbraw/zinc/63/22/74/557632274.db2.gz CKICKZXUENBOTE-HNNXBMFYSA-N 1 2 369.856 2.319 20 30 FEEDLO N#Cc1cccc(CNC(=O)C[NH+]2CCC(Oc3ncccc3F)CC2)c1 ZINC000373179424 557645467 /nfs/dbraw/zinc/64/54/67/557645467.db2.gz KXTFSLZGEQGTBY-UHFFFAOYSA-N 1 2 368.412 2.252 20 30 FEEDLO CCOC(=O)C1(COC)CC[NH+]([C@@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000373809025 557763980 /nfs/dbraw/zinc/76/39/80/557763980.db2.gz HLIOJJZKHSHJON-HNNXBMFYSA-N 1 2 373.453 2.177 20 30 FEEDLO Cc1nn(CCC#N)c(C)c1CCC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000374331688 557867230 /nfs/dbraw/zinc/86/72/30/557867230.db2.gz LMEPLFJDXDZPHF-MRXNPFEDSA-N 1 2 354.458 2.096 20 30 FEEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)C1 ZINC000374334003 557867414 /nfs/dbraw/zinc/86/74/14/557867414.db2.gz SRNODUYTVVRZFH-AWEZNQCLSA-N 1 2 365.437 2.176 20 30 FEEDLO COc1ccccc1[C@@H]1CN(C(=O)COc2ccccc2C#N)CC[NH2+]1 ZINC000374346555 557869322 /nfs/dbraw/zinc/86/93/22/557869322.db2.gz SMWSTKBLCIOUBK-KRWDZBQOSA-N 1 2 351.406 2.119 20 30 FEEDLO Cn1cc[nH+]c1[C@H]1CCN(S(=O)(=O)c2cccc(Cl)c2C#N)C1 ZINC000374353754 557870433 /nfs/dbraw/zinc/87/04/33/557870433.db2.gz SCUZNOHSPIVVNX-NSHDSACASA-N 1 2 350.831 2.123 20 30 FEEDLO O=C(C#Cc1ccc2c(c1)OCO2)N1CC[NH2+][C@H](c2cccc(F)c2)C1 ZINC000374374627 557874021 /nfs/dbraw/zinc/87/40/21/557874021.db2.gz NNMHTMRHCYTZLP-KRWDZBQOSA-N 1 2 352.365 2.079 20 30 FEEDLO Cn1cc[nH+]c1[C@@H]1CCCN(S(=O)(=O)c2c(F)cc(C#N)cc2F)C1 ZINC000375932591 558101807 /nfs/dbraw/zinc/10/18/07/558101807.db2.gz MSPBLCYLVFDQIC-GFCCVEGCSA-N 1 2 366.393 2.138 20 30 FEEDLO CCc1nn(C)c(Cl)c1C[N@@H+]1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000376640396 558202010 /nfs/dbraw/zinc/20/20/10/558202010.db2.gz GEYOUBSAHOVKPW-HXPMCKFVSA-N 1 2 369.856 2.481 20 30 FEEDLO CCc1nn(C)c(Cl)c1C[N@H+]1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000376640396 558202011 /nfs/dbraw/zinc/20/20/11/558202011.db2.gz GEYOUBSAHOVKPW-HXPMCKFVSA-N 1 2 369.856 2.481 20 30 FEEDLO C#CCCS(=O)(=O)NC1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1 ZINC000377341585 558319940 /nfs/dbraw/zinc/31/99/40/558319940.db2.gz GLKORXPBAUGNGQ-UHFFFAOYSA-N 1 2 373.478 2.249 20 30 FEEDLO Cc1nc(C)n(C[C@H]2CCCC[N@@H+]2CC(=O)Nc2oc(C)c(C)c2C#N)n1 ZINC000377570289 558367590 /nfs/dbraw/zinc/36/75/90/558367590.db2.gz YDIWDYLUGZORDX-MRXNPFEDSA-N 1 2 370.457 2.470 20 30 FEEDLO Cc1nc(C)n(C[C@H]2CCCC[N@H+]2CC(=O)Nc2oc(C)c(C)c2C#N)n1 ZINC000377570289 558367591 /nfs/dbraw/zinc/36/75/91/558367591.db2.gz YDIWDYLUGZORDX-MRXNPFEDSA-N 1 2 370.457 2.470 20 30 FEEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+]Cc1nnc2n1C[C@H](C(F)(F)F)CC2 ZINC000377824432 558427521 /nfs/dbraw/zinc/42/75/21/558427521.db2.gz RWRNUEXJHAZKPB-CHWSQXEVSA-N 1 2 373.423 2.306 20 30 FEEDLO C[C@@H](C(=O)NCC(F)(F)F)[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000378208995 558503351 /nfs/dbraw/zinc/50/33/51/558503351.db2.gz VAQLWPHLCPHTAR-ZDUSSCGKSA-N 1 2 354.376 2.137 20 30 FEEDLO C[C@@H](C(=O)NCC(F)(F)F)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000378208995 558503353 /nfs/dbraw/zinc/50/33/53/558503353.db2.gz VAQLWPHLCPHTAR-ZDUSSCGKSA-N 1 2 354.376 2.137 20 30 FEEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](N3CCNC3=O)C2)c(Br)c1 ZINC000378485920 558567787 /nfs/dbraw/zinc/56/77/87/558567787.db2.gz QYYOCEMQQRATRG-AWEZNQCLSA-N 1 2 363.259 2.310 20 30 FEEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](N3CCNC3=O)C2)c(Br)c1 ZINC000378485920 558567788 /nfs/dbraw/zinc/56/77/88/558567788.db2.gz QYYOCEMQQRATRG-AWEZNQCLSA-N 1 2 363.259 2.310 20 30 FEEDLO C=CCN1CC[C@@H]([N@H+](CCC(=O)OC)Cc2cccc(F)c2F)C1=O ZINC000410395170 558754886 /nfs/dbraw/zinc/75/48/86/558754886.db2.gz MOSZXKRPFUYBFR-OAHLLOKOSA-N 1 2 352.381 2.117 20 30 FEEDLO C=CCN1CC[C@@H]([N@@H+](CCC(=O)OC)Cc2cccc(F)c2F)C1=O ZINC000410395170 558754889 /nfs/dbraw/zinc/75/48/89/558754889.db2.gz MOSZXKRPFUYBFR-OAHLLOKOSA-N 1 2 352.381 2.117 20 30 FEEDLO C=C(C)CN(C)C(=O)C(=O)N1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000410892676 558820334 /nfs/dbraw/zinc/82/03/34/558820334.db2.gz OXGXTKWXZYFFNJ-MRXNPFEDSA-N 1 2 354.454 2.370 20 30 FEEDLO C[C@H](c1cccc(NC(=O)C(=O)NCC(C)(C)CC#N)c1)[NH+]1CCOCC1 ZINC000411637829 558933655 /nfs/dbraw/zinc/93/36/55/558933655.db2.gz DAKACYQORKOYTL-OAHLLOKOSA-N 1 2 372.469 2.074 20 30 FEEDLO COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)Cc2ccc(C#N)cc2)C1 ZINC000412360930 559030625 /nfs/dbraw/zinc/03/06/25/559030625.db2.gz SHLVCOIGZSJLOA-GOSISDBHSA-N 1 2 371.481 2.128 20 30 FEEDLO COC(=O)C[N@H+]1CCC[C@H](CNC(=O)C(C)(C)Cc2ccc(C#N)cc2)C1 ZINC000412360930 559030626 /nfs/dbraw/zinc/03/06/26/559030626.db2.gz SHLVCOIGZSJLOA-GOSISDBHSA-N 1 2 371.481 2.128 20 30 FEEDLO Cc1nn(C)c(N2CC[NH+](Cc3cccc4c3OCCCO4)CC2)c1C#N ZINC000526074235 562266153 /nfs/dbraw/zinc/26/61/53/562266153.db2.gz WKGAZFDACMFUGS-UHFFFAOYSA-N 1 2 367.453 2.084 20 30 FEEDLO Cn1cc(C[NH+]2CCN(c3cc(C(F)(F)F)cnc3C#N)CC2)cn1 ZINC000413129572 559081235 /nfs/dbraw/zinc/08/12/35/559081235.db2.gz PLGVZNUMMXOKEE-UHFFFAOYSA-N 1 2 350.348 2.028 20 30 FEEDLO CC[C@@H](Oc1cccc(C)c1)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000413281922 559095104 /nfs/dbraw/zinc/09/51/04/559095104.db2.gz OFHCQHISDWEEAI-LJQANCHMSA-N 1 2 359.470 2.227 20 30 FEEDLO CC(C)(C[NH+]1CCOCC1)NC(=O)c1cccc(C#N)c1Br ZINC000413963578 559143646 /nfs/dbraw/zinc/14/36/46/559143646.db2.gz XNEYBPKGPPQXAM-UHFFFAOYSA-N 1 2 366.259 2.161 20 30 FEEDLO N#CC1(NC(=O)C[N@@H+](CCO)Cc2ccc(Cl)c(Cl)c2)CCC1 ZINC000527127796 562277312 /nfs/dbraw/zinc/27/73/12/562277312.db2.gz XCBGMANVCIBIKS-UHFFFAOYSA-N 1 2 356.253 2.350 20 30 FEEDLO N#CC1(NC(=O)C[N@H+](CCO)Cc2ccc(Cl)c(Cl)c2)CCC1 ZINC000527127796 562277313 /nfs/dbraw/zinc/27/73/13/562277313.db2.gz XCBGMANVCIBIKS-UHFFFAOYSA-N 1 2 356.253 2.350 20 30 FEEDLO COc1ccc(C[NH+]2CCN(C(=O)NCC3(C#N)CCC3)CC2)cc1F ZINC000419654771 559452039 /nfs/dbraw/zinc/45/20/39/559452039.db2.gz VJVBDDOINCXMIO-UHFFFAOYSA-N 1 2 360.433 2.355 20 30 FEEDLO Cc1cc(Cl)cc(C#N)c1OCC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000421860318 559555046 /nfs/dbraw/zinc/55/50/46/559555046.db2.gz ULHPNDDJEPBXGA-UHFFFAOYSA-N 1 2 365.861 2.126 20 30 FEEDLO C=CC[N@@H+](CC[C@@H](C(=O)OC)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000425410926 559700779 /nfs/dbraw/zinc/70/07/79/559700779.db2.gz CEUBHMVALZMUMI-IAGOWNOFSA-N 1 2 351.468 2.008 20 30 FEEDLO C=CC[N@H+](CC[C@@H](C(=O)OC)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000425410926 559700780 /nfs/dbraw/zinc/70/07/80/559700780.db2.gz CEUBHMVALZMUMI-IAGOWNOFSA-N 1 2 351.468 2.008 20 30 FEEDLO COc1ccc(C[NH+]2CCN(C(=O)N[C@@H]3CC[C@H](C#N)C3)CC2)cc1F ZINC000425613484 559711663 /nfs/dbraw/zinc/71/16/63/559711663.db2.gz SNRUXOJZLSZOGX-GOEBONIOSA-N 1 2 360.433 2.354 20 30 FEEDLO Cc1cc(CNC(=O)C(=O)N(C)[C@@H](C)c2cccc(C#N)c2)cc(C)[nH+]1 ZINC000425909633 559724972 /nfs/dbraw/zinc/72/49/72/559724972.db2.gz QFILLWBYDJRIEH-HNNXBMFYSA-N 1 2 350.422 2.406 20 30 FEEDLO C=CC[C@@H](C(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1)c1ccccc1 ZINC000426858084 559743082 /nfs/dbraw/zinc/74/30/82/559743082.db2.gz KUTWDLWRNKNYST-HXUWFJFHSA-N 1 2 369.509 2.407 20 30 FEEDLO C=CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(Oc2cc[nH+]cc2)c(C)c1 ZINC000427292725 559752444 /nfs/dbraw/zinc/75/24/44/559752444.db2.gz TWILWJNWVWPLGN-HNNXBMFYSA-N 1 2 355.394 2.174 20 30 FEEDLO C=CC[C@@H](C(=O)N1CC[C@H](OCC[NH+]2CCOCC2)C1)c1ccccc1 ZINC000427756705 559761691 /nfs/dbraw/zinc/76/16/91/559761691.db2.gz XAWCJFZEDVQDFJ-VQTJNVASSA-N 1 2 358.482 2.296 20 30 FEEDLO C=CCOc1ccc(C(=O)Nc2ccc3c(c2)C[N@H+](CC(N)=O)CC3)cc1 ZINC000433960364 559891437 /nfs/dbraw/zinc/89/14/37/559891437.db2.gz DNKJQSOYROYJQH-UHFFFAOYSA-N 1 2 365.433 2.347 20 30 FEEDLO C=CCOc1ccc(C(=O)Nc2ccc3c(c2)C[N@@H+](CC(N)=O)CC3)cc1 ZINC000433960364 559891438 /nfs/dbraw/zinc/89/14/38/559891438.db2.gz DNKJQSOYROYJQH-UHFFFAOYSA-N 1 2 365.433 2.347 20 30 FEEDLO C=CCNC(=O)C[NH+]1CCN(CCc2cccc(Cl)c2Cl)CC1 ZINC000434536632 559901942 /nfs/dbraw/zinc/90/19/42/559901942.db2.gz VIAYMEYIOWIOJA-UHFFFAOYSA-N 1 2 356.297 2.456 20 30 FEEDLO N#Cc1ccc2[nH+]cc(CNCc3ncn(Cc4cccc(F)c4)n3)n2c1 ZINC000436415103 559941206 /nfs/dbraw/zinc/94/12/06/559941206.db2.gz WGBVMGXZVWVGIE-UHFFFAOYSA-N 1 2 361.384 2.275 20 30 FEEDLO COCCC[N@H+](Cc1ccc(C#N)cc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000439436457 559993848 /nfs/dbraw/zinc/99/38/48/559993848.db2.gz GKLUFICHAOOWCA-HNNXBMFYSA-N 1 2 356.875 2.237 20 30 FEEDLO COCCC[N@@H+](Cc1ccc(C#N)cc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000439436457 559993849 /nfs/dbraw/zinc/99/38/49/559993849.db2.gz GKLUFICHAOOWCA-HNNXBMFYSA-N 1 2 356.875 2.237 20 30 FEEDLO C=CCN(CCc1ccco1)C(=O)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000441872566 560040107 /nfs/dbraw/zinc/04/01/07/560040107.db2.gz NTMXDBLFSPHDLT-UHFFFAOYSA-N 1 2 352.394 2.432 20 30 FEEDLO CCNC(=O)C[NH+]1CCN(c2c(C#N)cnc3ccc(C(C)C)cc32)CC1 ZINC000447670335 560166372 /nfs/dbraw/zinc/16/63/72/560166372.db2.gz MVHQMCRCKSFQDE-UHFFFAOYSA-N 1 2 365.481 2.488 20 30 FEEDLO C=CCNC(=O)C[NH+]1CCN(Cc2cccc(Br)c2F)CC1 ZINC000449009467 560211815 /nfs/dbraw/zinc/21/18/15/560211815.db2.gz NNVAJVQPJIXYHE-UHFFFAOYSA-N 1 2 370.266 2.008 20 30 FEEDLO Cn1nc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c2c1CCCC2 ZINC000449039981 560213956 /nfs/dbraw/zinc/21/39/56/560213956.db2.gz GCGGOPCRIIHSHN-UHFFFAOYSA-N 1 2 363.465 2.129 20 30 FEEDLO C=CCC1(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCCC1 ZINC000449822443 560241401 /nfs/dbraw/zinc/24/14/01/560241401.db2.gz VRQLYFYOBFCLCV-UHFFFAOYSA-N 1 2 370.497 2.373 20 30 FEEDLO COc1cc(C[NH+]2CCN(C(=O)c3cc(C#N)[nH]c3C)CC2)cc(OC)c1 ZINC000450033312 560248653 /nfs/dbraw/zinc/24/86/53/560248653.db2.gz PRNQINXVMILUMC-UHFFFAOYSA-N 1 2 368.437 2.170 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccn(CCc2ccccc2)n1 ZINC000450463752 560263164 /nfs/dbraw/zinc/26/31/64/560263164.db2.gz RTVNDZXKWMJSBX-UHFFFAOYSA-N 1 2 367.497 2.174 20 30 FEEDLO CCOC1CC(CNc2cccc(C#N)c2[N+](=O)[O-])([NH+]2CCOCC2)C1 ZINC000450489741 560263821 /nfs/dbraw/zinc/26/38/21/560263821.db2.gz YFJPYXPVQBRGRH-UHFFFAOYSA-N 1 2 360.414 2.148 20 30 FEEDLO CN(C)c1[nH+]cccc1O[C@H]1CCN(c2nc3c(cc2C#N)COCC3)C1 ZINC000450503341 560264354 /nfs/dbraw/zinc/26/43/54/560264354.db2.gz VGZLUFTTZRJONI-INIZCTEOSA-N 1 2 365.437 2.145 20 30 FEEDLO COc1ccc([C@H](NS(=O)(=O)CC2(CC#N)CC2)c2[nH+]ccn2C)cc1 ZINC000451018047 560282700 /nfs/dbraw/zinc/28/27/00/560282700.db2.gz WZQKYGSMSGCWAL-INIZCTEOSA-N 1 2 374.466 2.131 20 30 FEEDLO CN(C)c1[nH+]cccc1CNS(=O)(=O)c1ccc(CC#N)cc1Cl ZINC000451053575 560284855 /nfs/dbraw/zinc/28/48/55/560284855.db2.gz YXSDVMYEGCQVHP-UHFFFAOYSA-N 1 2 364.858 2.346 20 30 FEEDLO N#CCc1ccc(S(=O)(=O)N2CC[NH+](C3CCC3)CC2)c(Cl)c1 ZINC000451191695 560292424 /nfs/dbraw/zinc/29/24/24/560292424.db2.gz NAMXXGWUDHTVSP-UHFFFAOYSA-N 1 2 353.875 2.265 20 30 FEEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC[C@H]([C@@H](O)C(F)(F)F)C2)c(C#N)c1C ZINC000451899440 560335777 /nfs/dbraw/zinc/33/57/77/560335777.db2.gz ZBFDNBLDXGPSNP-XHVZSJERSA-N 1 2 359.348 2.340 20 30 FEEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CC[C@H]([C@@H](O)C(F)(F)F)C2)c(C#N)c1C ZINC000451899440 560335778 /nfs/dbraw/zinc/33/57/78/560335778.db2.gz ZBFDNBLDXGPSNP-XHVZSJERSA-N 1 2 359.348 2.340 20 30 FEEDLO CCOc1cccc(C[N@H+](CCO)CC(=O)NC2(C#N)CCCCC2)c1 ZINC000452053541 560348303 /nfs/dbraw/zinc/34/83/03/560348303.db2.gz PBALDVZKGRQPNW-UHFFFAOYSA-N 1 2 359.470 2.222 20 30 FEEDLO CCOc1cccc(C[N@@H+](CCO)CC(=O)NC2(C#N)CCCCC2)c1 ZINC000452053541 560348304 /nfs/dbraw/zinc/34/83/04/560348304.db2.gz PBALDVZKGRQPNW-UHFFFAOYSA-N 1 2 359.470 2.222 20 30 FEEDLO N#CCc1ccc(NC(=O)C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c(Cl)c1 ZINC000453731159 560400232 /nfs/dbraw/zinc/40/02/32/560400232.db2.gz UVTARJGDQNNQIF-ZDUSSCGKSA-N 1 2 371.828 2.474 20 30 FEEDLO C=CCC1(CNC(=O)N[C@H]2CCCN(Cc3[nH+]ccn3C)C2=O)CCCC1 ZINC000454825480 560459763 /nfs/dbraw/zinc/45/97/63/560459763.db2.gz UYURNUXSGNFBPQ-INIZCTEOSA-N 1 2 373.501 2.347 20 30 FEEDLO CC#CCCNC(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000455955596 560501904 /nfs/dbraw/zinc/50/19/04/560501904.db2.gz NYQNVYFBQJYHHQ-UHFFFAOYSA-N 1 2 367.247 2.216 20 30 FEEDLO N#Cc1ccc(CC(=O)N(CC[NH+]2CCOCC2)Cc2ccco2)cc1 ZINC000457030789 560544765 /nfs/dbraw/zinc/54/47/65/560544765.db2.gz URCIIYMSZWGQIJ-UHFFFAOYSA-N 1 2 353.422 2.055 20 30 FEEDLO Cc1cccc([C@H](CNC(=O)c2cc(C)c(C#N)cn2)[NH+]2CCOCC2)c1 ZINC000457441625 560566958 /nfs/dbraw/zinc/56/69/58/560566958.db2.gz MDNNUZIZFMVAJP-FQEVSTJZSA-N 1 2 364.449 2.373 20 30 FEEDLO CC(C)(CC#N)CNC(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000458367938 560617514 /nfs/dbraw/zinc/61/75/14/560617514.db2.gz MTCKEMXUEDLIDZ-GOSISDBHSA-N 1 2 358.486 2.169 20 30 FEEDLO CC(C)(C)OC(=O)C[NH2+][C@]1(C)CCN(Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000459441602 560686669 /nfs/dbraw/zinc/68/66/69/560686669.db2.gz YVWIWWHWFXKSJB-LJQANCHMSA-N 1 2 374.441 2.362 20 30 FEEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCN(C(=O)c2cscn2)[C@@H](C)C1 ZINC000459501126 560690229 /nfs/dbraw/zinc/69/02/29/560690229.db2.gz BRFLCUZKFBYRKO-LSDHHAIUSA-N 1 2 364.515 2.103 20 30 FEEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCN(C(=O)c2cscn2)[C@@H](C)C1 ZINC000459501126 560690227 /nfs/dbraw/zinc/69/02/27/560690227.db2.gz BRFLCUZKFBYRKO-LSDHHAIUSA-N 1 2 364.515 2.103 20 30 FEEDLO N#Cc1cccc([N+](=O)[O-])c1CN(CC[NH+]1CCOCC1)Cc1ccco1 ZINC000459525022 560692083 /nfs/dbraw/zinc/69/20/83/560692083.db2.gz WSAWUMAUIBPGEU-UHFFFAOYSA-N 1 2 370.409 2.394 20 30 FEEDLO C=C[C@H](CO)NC(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000460276055 560740284 /nfs/dbraw/zinc/74/02/84/560740284.db2.gz KAADGPPSQIBRFB-CABCVRRESA-N 1 2 355.841 2.290 20 30 FEEDLO C=C[C@H](CO)NC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000460276055 560740285 /nfs/dbraw/zinc/74/02/85/560740285.db2.gz KAADGPPSQIBRFB-CABCVRRESA-N 1 2 355.841 2.290 20 30 FEEDLO COc1cccc(OCC[NH+]2CCN(C(=O)N[C@@H]3CCC[C@H]3C#N)CC2)c1 ZINC000461961415 560789951 /nfs/dbraw/zinc/78/99/51/560789951.db2.gz URBFNORYVYYAEI-QFBILLFUSA-N 1 2 372.469 2.093 20 30 FEEDLO N#Cc1cccnc1-n1cc(NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cn1 ZINC000462094648 560796763 /nfs/dbraw/zinc/79/67/63/560796763.db2.gz SEFVCYIPWHHDCG-UHFFFAOYSA-N 1 2 362.397 2.274 20 30 FEEDLO COc1cc(C#N)ccc1S(=O)(=O)NCCn1c(C)[nH+]c2ccccc21 ZINC000463689456 560821346 /nfs/dbraw/zinc/82/13/46/560821346.db2.gz NZLMKHKMZZUDDN-UHFFFAOYSA-N 1 2 370.434 2.204 20 30 FEEDLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)CSCc1ccc(C#N)cc1 ZINC000468892380 560941609 /nfs/dbraw/zinc/94/16/09/560941609.db2.gz KVMRQGXITXJONZ-UHFFFAOYSA-N 1 2 361.511 2.361 20 30 FEEDLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)CSCc1ccc(C#N)cc1 ZINC000468892380 560941610 /nfs/dbraw/zinc/94/16/10/560941610.db2.gz KVMRQGXITXJONZ-UHFFFAOYSA-N 1 2 361.511 2.361 20 30 FEEDLO CCOc1ccccc1N1CC[NH+]([C@H](C)C(=O)NC2(C#N)CCC2)CC1 ZINC000468934193 560942629 /nfs/dbraw/zinc/94/26/29/560942629.db2.gz KXELVHMMQCPVRU-MRXNPFEDSA-N 1 2 356.470 2.158 20 30 FEEDLO N#Cc1ccc(OCCNC(=O)c2ccccc2C[NH+]2CCOCC2)cc1 ZINC000469611103 560959550 /nfs/dbraw/zinc/95/95/50/560959550.db2.gz KKDNDUWKASPOKC-UHFFFAOYSA-N 1 2 365.433 2.199 20 30 FEEDLO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCc3n[nH]nc3C1)CCCC2 ZINC000472748941 561034386 /nfs/dbraw/zinc/03/43/86/561034386.db2.gz IXMMNUVMQWNDBV-UHFFFAOYSA-N 1 2 356.455 2.004 20 30 FEEDLO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCc3n[nH]nc3C1)CCCC2 ZINC000472748941 561034387 /nfs/dbraw/zinc/03/43/87/561034387.db2.gz IXMMNUVMQWNDBV-UHFFFAOYSA-N 1 2 356.455 2.004 20 30 FEEDLO Cn1cc[nH+]c1[C@H](NC(=O)c1cnn(C)c1C#N)c1ccc(Cl)cc1 ZINC000474425344 561073814 /nfs/dbraw/zinc/07/38/14/561073814.db2.gz HKAKHAJLSDXEGX-OAHLLOKOSA-N 1 2 354.801 2.198 20 30 FEEDLO CS(=O)(=O)c1cc(CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)co1 ZINC000528341814 562323704 /nfs/dbraw/zinc/32/37/04/562323704.db2.gz XTCVFCUDONFKKD-UHFFFAOYSA-N 1 2 373.478 2.263 20 30 FEEDLO CS(=O)(=O)c1cc(CN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)co1 ZINC000528341814 562323705 /nfs/dbraw/zinc/32/37/05/562323705.db2.gz XTCVFCUDONFKKD-UHFFFAOYSA-N 1 2 373.478 2.263 20 30 FEEDLO CC(C)c1ncc2c(n1)CC[N@@H+](C[C@@H](O)COc1ccccc1C#N)C2 ZINC000528590614 562337547 /nfs/dbraw/zinc/33/75/47/562337547.db2.gz FZAFBLRXGVGQHI-QGZVFWFLSA-N 1 2 352.438 2.270 20 30 FEEDLO CC(C)c1ncc2c(n1)CC[N@H+](C[C@@H](O)COc1ccccc1C#N)C2 ZINC000528590614 562337548 /nfs/dbraw/zinc/33/75/48/562337548.db2.gz FZAFBLRXGVGQHI-QGZVFWFLSA-N 1 2 352.438 2.270 20 30 FEEDLO COCc1ccc(NC(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)cc1C#N ZINC000529217489 562365321 /nfs/dbraw/zinc/36/53/21/562365321.db2.gz SGWXICVGKZZNRF-LJQANCHMSA-N 1 2 372.469 2.423 20 30 FEEDLO CCOC[C@H]1C[N@H+](Cc2cn(CCC#N)nc2-c2ccncc2)CCO1 ZINC000529667484 562380542 /nfs/dbraw/zinc/38/05/42/562380542.db2.gz WWMXFTKWJHHTDZ-GOSISDBHSA-N 1 2 355.442 2.096 20 30 FEEDLO CCOC[C@H]1C[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)CCO1 ZINC000529667484 562380543 /nfs/dbraw/zinc/38/05/43/562380543.db2.gz WWMXFTKWJHHTDZ-GOSISDBHSA-N 1 2 355.442 2.096 20 30 FEEDLO Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000530605786 562417606 /nfs/dbraw/zinc/41/76/06/562417606.db2.gz MPZFQFYSGIUZMD-SFHVURJKSA-N 1 2 373.416 2.445 20 30 FEEDLO C[C@@H](C#N)C(=O)N1CC[NH+](CCCc2nc(-c3cccs3)no2)CC1 ZINC000531252006 562439699 /nfs/dbraw/zinc/43/96/99/562439699.db2.gz NYKVXUQZVHVORB-ZDUSSCGKSA-N 1 2 359.455 2.035 20 30 FEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC000532352613 562474965 /nfs/dbraw/zinc/47/49/65/562474965.db2.gz XXVDRTKJZMXZDE-INIZCTEOSA-N 1 2 351.454 2.239 20 30 FEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC000532352613 562474966 /nfs/dbraw/zinc/47/49/66/562474966.db2.gz XXVDRTKJZMXZDE-INIZCTEOSA-N 1 2 351.454 2.239 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000532727460 562487101 /nfs/dbraw/zinc/48/71/01/562487101.db2.gz YBQMURKZTPVFKT-LMNJBCLMSA-N 1 2 367.497 2.312 20 30 FEEDLO Cc1cnc(N2CC[NH+]([C@H](C)C(=O)Nc3cccc(C#N)c3)CC2)s1 ZINC000533058900 562497151 /nfs/dbraw/zinc/49/71/51/562497151.db2.gz UBEFYOXEOYSTNM-CQSZACIVSA-N 1 2 355.467 2.472 20 30 FEEDLO N#CCC[C@@H](NC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1)c1ccccc1 ZINC000533510824 562511240 /nfs/dbraw/zinc/51/12/40/562511240.db2.gz IDHLOTZKPSZVRV-QGZVFWFLSA-N 1 2 352.442 2.282 20 30 FEEDLO C=C(C)[C@H](CC(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1)OCC ZINC000535156839 562552146 /nfs/dbraw/zinc/55/21/46/562552146.db2.gz GCGQJAIBCVRZCE-UXHICEINSA-N 1 2 360.498 2.417 20 30 FEEDLO C[C@@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000536129748 562573077 /nfs/dbraw/zinc/57/30/77/562573077.db2.gz CSLSBCAQQBTPCA-WDEREUQCSA-N 1 2 361.389 2.290 20 30 FEEDLO C[C@@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000536129748 562573078 /nfs/dbraw/zinc/57/30/78/562573078.db2.gz CSLSBCAQQBTPCA-WDEREUQCSA-N 1 2 361.389 2.290 20 30 FEEDLO CCn1c2nnc(C[NH+]3CCC(CC#N)CC3)n2c2ccccc2c1=O ZINC000541024969 562600678 /nfs/dbraw/zinc/60/06/78/562600678.db2.gz VKBAQNQDVDIJKR-UHFFFAOYSA-N 1 2 350.426 2.190 20 30 FEEDLO COc1cc(C#N)ccc1NC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000546002872 562632591 /nfs/dbraw/zinc/63/25/91/562632591.db2.gz RTFCFJVPWRGELJ-MRXNPFEDSA-N 1 2 358.442 2.285 20 30 FEEDLO CC[N@@H+](Cc1ccc(S(N)(=O)=O)c(Br)c1)C[C@@H](C)C#N ZINC000602447031 567981249 /nfs/dbraw/zinc/98/12/49/567981249.db2.gz KPOSOUFVVUMRAB-JTQLQIEISA-N 1 2 360.277 2.078 20 30 FEEDLO CC[N@H+](Cc1ccc(S(N)(=O)=O)c(Br)c1)C[C@@H](C)C#N ZINC000602447031 567981250 /nfs/dbraw/zinc/98/12/50/567981250.db2.gz KPOSOUFVVUMRAB-JTQLQIEISA-N 1 2 360.277 2.078 20 30 FEEDLO N#CCC(=O)N1CCN(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)CC1 ZINC000602846149 568000387 /nfs/dbraw/zinc/00/03/87/568000387.db2.gz NFHNWBUMDRIPMZ-UHFFFAOYSA-N 1 2 365.393 2.464 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH+]2C[C@H](C)N(CC#N)[C@@H](C)C2)c1 ZINC000602854550 568002011 /nfs/dbraw/zinc/00/20/11/568002011.db2.gz BTYRYAQVPMUXCZ-OALUTQOASA-N 1 2 367.497 2.468 20 30 FEEDLO C[C@H](C(=O)Nc1ccc2c(c1)OCCCO2)[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602856087 568002336 /nfs/dbraw/zinc/00/23/36/568002336.db2.gz KAEYJBQFVWAECE-BZUAXINKSA-N 1 2 372.469 2.093 20 30 FEEDLO COc1ccc([C@@H](NC(=O)C[N@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)C(C)C)cc1 ZINC000602856693 568002553 /nfs/dbraw/zinc/00/25/53/568002553.db2.gz MCIRJXVJVNAORR-FVJLSDCUSA-N 1 2 372.513 2.427 20 30 FEEDLO COc1ccc([C@@H](NC(=O)C[N@@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)C(C)C)cc1 ZINC000602856693 568002554 /nfs/dbraw/zinc/00/25/54/568002554.db2.gz MCIRJXVJVNAORR-FVJLSDCUSA-N 1 2 372.513 2.427 20 30 FEEDLO CCN(Cc1ccc2c(c1)OCCO2)C(=O)C[N@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602975363 568035868 /nfs/dbraw/zinc/03/58/68/568035868.db2.gz ABAXIMIMIRKMSP-DLBZAZTESA-N 1 2 357.454 2.430 20 30 FEEDLO CCN(Cc1ccc2c(c1)OCCO2)C(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602975363 568035870 /nfs/dbraw/zinc/03/58/70/568035870.db2.gz ABAXIMIMIRKMSP-DLBZAZTESA-N 1 2 357.454 2.430 20 30 FEEDLO C[N@H+](CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)[C@H]1CCC[C@H]1C#N ZINC000602981087 568037141 /nfs/dbraw/zinc/03/71/41/568037141.db2.gz ZKLDEEMLCQFYJH-YESZJQIVSA-N 1 2 371.510 2.081 20 30 FEEDLO C[N@@H+](CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)[C@H]1CCC[C@H]1C#N ZINC000602981087 568037142 /nfs/dbraw/zinc/03/71/42/568037142.db2.gz ZKLDEEMLCQFYJH-YESZJQIVSA-N 1 2 371.510 2.081 20 30 FEEDLO Cc1ccc(NC(=O)NC(=O)[C@H](C)[N@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)c(C)c1 ZINC000602859970 568049338 /nfs/dbraw/zinc/04/93/38/568049338.db2.gz ZYXLYCZVTFDKOK-BBWFWOEESA-N 1 2 371.485 2.258 20 30 FEEDLO Cc1ccc(NC(=O)NC(=O)[C@H](C)[N@@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)c(C)c1 ZINC000602859970 568049339 /nfs/dbraw/zinc/04/93/39/568049339.db2.gz ZYXLYCZVTFDKOK-BBWFWOEESA-N 1 2 371.485 2.258 20 30 FEEDLO CC(C)OCc1cccc(CNC(=O)C[N@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)c1 ZINC000602861866 568049719 /nfs/dbraw/zinc/04/97/19/568049719.db2.gz MGGAVWQRXAVIJB-HDICACEKSA-N 1 2 372.513 2.146 20 30 FEEDLO CC(C)OCc1cccc(CNC(=O)C[N@@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)c1 ZINC000602861866 568049721 /nfs/dbraw/zinc/04/97/21/568049721.db2.gz MGGAVWQRXAVIJB-HDICACEKSA-N 1 2 372.513 2.146 20 30 FEEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@@H](CF)c2ccc(F)cc2)CC1 ZINC000603017609 568052053 /nfs/dbraw/zinc/05/20/53/568052053.db2.gz JFAVPNMCDLLKFN-ROUUACIJSA-N 1 2 364.440 2.118 20 30 FEEDLO C[C@@H]1CN(C(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)C[C@H](C)N1CC#N ZINC000603089506 568059589 /nfs/dbraw/zinc/05/95/89/568059589.db2.gz KCYKRMFCODZAQY-JZXOWHBKSA-N 1 2 351.454 2.376 20 30 FEEDLO C[C@H]1CN(S(=O)(=O)c2ccc(C#N)s2)c2cc(F)ccc2C[NH2+]1 ZINC000569238114 568317295 /nfs/dbraw/zinc/31/72/95/568317295.db2.gz OWIRMFWFDQIGAL-JTQLQIEISA-N 1 2 351.428 2.446 20 30 FEEDLO C[C@H]1C[N@H+](CCNc2c(C#N)cnc3c(F)c(F)c(F)cc32)CCO1 ZINC000557569658 674454375 /nfs/dbraw/zinc/45/43/75/674454375.db2.gz IQTGHLPFCVSJSO-JTQLQIEISA-N 1 2 350.344 2.078 20 30 FEEDLO C[C@H]1C[N@@H+](CCNc2c(C#N)cnc3c(F)c(F)c(F)cc32)CCO1 ZINC000557569658 674454376 /nfs/dbraw/zinc/45/43/76/674454376.db2.gz IQTGHLPFCVSJSO-JTQLQIEISA-N 1 2 350.344 2.078 20 30 FEEDLO C[C@@H](Nc1[nH+]cnc2c1cnn2CCC#N)c1cccc(-c2nn[nH]n2)c1 ZINC000820461655 599355043 /nfs/dbraw/zinc/35/50/43/599355043.db2.gz OZQHLIMXFZTAPX-LLVKDONJSA-N 1 2 360.385 2.093 20 30 FEEDLO CC(=O)NCC[C@H]1CCC[N@H+](CC(=O)Nc2sc(C)c(C)c2C#N)C1 ZINC000558155635 674485752 /nfs/dbraw/zinc/48/57/52/674485752.db2.gz IKTGNRYXOFMYKV-OAHLLOKOSA-N 1 2 362.499 2.413 20 30 FEEDLO CC(=O)NCC[C@H]1CCC[N@@H+](CC(=O)Nc2sc(C)c(C)c2C#N)C1 ZINC000558155635 674485753 /nfs/dbraw/zinc/48/57/53/674485753.db2.gz IKTGNRYXOFMYKV-OAHLLOKOSA-N 1 2 362.499 2.413 20 30 FEEDLO C#CCOc1cccc(Cl)c1C[N@H+]1CCC[C@H](S(=O)(=O)N(C)C)C1 ZINC000809688475 674504932 /nfs/dbraw/zinc/50/49/32/674504932.db2.gz KFOXFSDCPXABHL-AWEZNQCLSA-N 1 2 370.902 2.208 20 30 FEEDLO C#CCOc1cccc(Cl)c1C[N@@H+]1CCC[C@H](S(=O)(=O)N(C)C)C1 ZINC000809688475 674504934 /nfs/dbraw/zinc/50/49/34/674504934.db2.gz KFOXFSDCPXABHL-AWEZNQCLSA-N 1 2 370.902 2.208 20 30 FEEDLO N#Cc1csc(C[NH+]2CCN(c3ccc(-c4nn[nH]n4)cc3F)CC2)c1 ZINC000826387824 608641017 /nfs/dbraw/zinc/64/10/17/608641017.db2.gz SUDBWWPSOTVHTA-UHFFFAOYSA-N 1 2 369.429 2.261 20 30 FEEDLO C#CCNC(=O)CC[N@@H+]1CCO[C@H](c2cccc(OC(F)(F)F)c2)C1 ZINC000815120051 674921315 /nfs/dbraw/zinc/92/13/15/674921315.db2.gz NDSGZPTVITUHLE-HNNXBMFYSA-N 1 2 356.344 2.098 20 30 FEEDLO C#CCNC(=O)CC[N@H+]1CCO[C@H](c2cccc(OC(F)(F)F)c2)C1 ZINC000815120051 674921319 /nfs/dbraw/zinc/92/13/19/674921319.db2.gz NDSGZPTVITUHLE-HNNXBMFYSA-N 1 2 356.344 2.098 20 30 FEEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN(CCOc2ccccc2Cl)CC1 ZINC000054259672 670334207 /nfs/dbraw/zinc/33/42/07/670334207.db2.gz DQTYUELLPIMATD-OAHLLOKOSA-N 1 2 351.878 2.027 20 30 FEEDLO CN(C)S(=O)(=O)c1ccc(CO[NH+]=C(N)Cc2ccc(Cl)cc2)o1 ZINC000106067134 670808368 /nfs/dbraw/zinc/80/83/68/670808368.db2.gz XQXDMAAGMVOTPA-UHFFFAOYSA-N 1 2 371.846 2.215 20 30 FEEDLO N#Cc1ccsc1N1CC[C@@H](N2CC[C@@H](Oc3cc[nH+]cc3)C2)C1=O ZINC000580700825 671825520 /nfs/dbraw/zinc/82/55/20/671825520.db2.gz YDYFUVUVUDCEQU-HZPDHXFCSA-N 1 2 354.435 2.273 20 30 FEEDLO C#CCC[NH+]1CCN(C(=O)CSCc2cn3cc(C)ccc3n2)CC1 ZINC000128445765 672049225 /nfs/dbraw/zinc/04/92/25/672049225.db2.gz AUYXFOJHWDCVIJ-UHFFFAOYSA-N 1 2 356.495 2.043 20 30 FEEDLO C#CCC[NH+]1CCN(S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000133657804 672113147 /nfs/dbraw/zinc/11/31/47/672113147.db2.gz CUPHRCBFAKZGFE-UHFFFAOYSA-N 1 2 361.294 2.464 20 30 FEEDLO CC#CC[N@H+](C)CC(=O)N1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000584127141 672158348 /nfs/dbraw/zinc/15/83/48/672158348.db2.gz NLVAZGJQKMNQCU-UHFFFAOYSA-N 1 2 351.853 2.078 20 30 FEEDLO CC#CC[N@@H+](C)CC(=O)N1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000584127141 672158351 /nfs/dbraw/zinc/15/83/51/672158351.db2.gz NLVAZGJQKMNQCU-UHFFFAOYSA-N 1 2 351.853 2.078 20 30 FEEDLO Cn1cc[nH+]c1C[C@@H](NS(=O)(=O)CC1(CC#N)CC1)c1ccccc1 ZINC000590748418 672609360 /nfs/dbraw/zinc/60/93/60/672609360.db2.gz PYHHHEUBDOLNKN-MRXNPFEDSA-N 1 2 358.467 2.317 20 30 FEEDLO C[N@H+](CCC#N)C[C@H](O)CNc1cccc2c1CN(c1nccs1)C2 ZINC000591774514 672710229 /nfs/dbraw/zinc/71/02/29/672710229.db2.gz XWBIHXPPTWGUDY-OAHLLOKOSA-N 1 2 357.483 2.282 20 30 FEEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1cccc2c1CN(c1nccs1)C2 ZINC000591774514 672710234 /nfs/dbraw/zinc/71/02/34/672710234.db2.gz XWBIHXPPTWGUDY-OAHLLOKOSA-N 1 2 357.483 2.282 20 30 FEEDLO N#CC[C@@]1(O)CCN(C(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)C1 ZINC000592026544 672735986 /nfs/dbraw/zinc/73/59/86/672735986.db2.gz AXXIJIMYSNELIQ-QGZVFWFLSA-N 1 2 359.817 2.086 20 30 FEEDLO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592148582 672764038 /nfs/dbraw/zinc/76/40/38/672764038.db2.gz WXXXWQZTKMCKPU-MRXNPFEDSA-N 1 2 356.253 2.302 20 30 FEEDLO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592148582 672764041 /nfs/dbraw/zinc/76/40/41/672764041.db2.gz WXXXWQZTKMCKPU-MRXNPFEDSA-N 1 2 356.253 2.302 20 30 FEEDLO COC(=O)c1ccc(-c2nc(C[N@@H+]3CC[C@](O)(CC#N)C3)cs2)cc1 ZINC000592152200 672764874 /nfs/dbraw/zinc/76/48/74/672764874.db2.gz UXSDVPRYZGKRGY-GOSISDBHSA-N 1 2 357.435 2.447 20 30 FEEDLO COC(=O)c1ccc(-c2nc(C[N@H+]3CC[C@](O)(CC#N)C3)cs2)cc1 ZINC000592152200 672764877 /nfs/dbraw/zinc/76/48/77/672764877.db2.gz UXSDVPRYZGKRGY-GOSISDBHSA-N 1 2 357.435 2.447 20 30 FEEDLO C=CCn1c(=O)c2ccc(C(=O)NC[C@@H]3CCC[N@H+]3C)cc2[nH]c1=S ZINC000194731160 672766978 /nfs/dbraw/zinc/76/69/78/672766978.db2.gz SVJJEAFUBIEYEH-ZDUSSCGKSA-N 1 2 358.467 2.069 20 30 FEEDLO C=CCn1c(=O)c2ccc(C(=O)NC[C@@H]3CCC[N@@H+]3C)cc2[nH]c1=S ZINC000194731160 672766980 /nfs/dbraw/zinc/76/69/80/672766980.db2.gz SVJJEAFUBIEYEH-ZDUSSCGKSA-N 1 2 358.467 2.069 20 30 FEEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000246759804 672841906 /nfs/dbraw/zinc/84/19/06/672841906.db2.gz NRENMKFXMHMEBO-QLFBSQMISA-N 1 2 352.479 2.077 20 30 FEEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000246759804 672841912 /nfs/dbraw/zinc/84/19/12/672841912.db2.gz NRENMKFXMHMEBO-QLFBSQMISA-N 1 2 352.479 2.077 20 30 FEEDLO O=C(N[C@@H]1CCO[C@]2(CCOC2)C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000329101117 673072277 /nfs/dbraw/zinc/07/22/77/673072277.db2.gz DXZZBYLBSLBMEM-CRAIPNDOSA-N 1 2 365.499 2.118 20 30 FEEDLO N#Cc1csc(CNC2(C[NH+]3CCN(c4ccccc4)CC3)CC2)n1 ZINC000594987238 673183395 /nfs/dbraw/zinc/18/33/95/673183395.db2.gz JAVWKEVHTYWODE-UHFFFAOYSA-N 1 2 353.495 2.459 20 30 FEEDLO C=CCCSCCNC(=O)C(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000595149916 673200664 /nfs/dbraw/zinc/20/06/64/673200664.db2.gz GWUVEAAURUASFY-UHFFFAOYSA-N 1 2 365.499 2.091 20 30 FEEDLO Cc1c(Cl)cccc1NC(=O)CNC(=O)C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595616559 673273808 /nfs/dbraw/zinc/27/38/08/673273808.db2.gz RVGFZQOGOZQOQY-AWEZNQCLSA-N 1 2 362.861 2.329 20 30 FEEDLO Cc1c(Cl)cccc1NC(=O)CNC(=O)C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595616559 673273812 /nfs/dbraw/zinc/27/38/12/673273812.db2.gz RVGFZQOGOZQOQY-AWEZNQCLSA-N 1 2 362.861 2.329 20 30 FEEDLO Cc1sc(NC(=O)C[N@H+]2CCC[C@H](C(=O)NC(C)C)C2)c(C#N)c1C ZINC000595848162 673329842 /nfs/dbraw/zinc/32/98/42/673329842.db2.gz AXYIPUGQKTXGLI-AWEZNQCLSA-N 1 2 362.499 2.412 20 30 FEEDLO Cc1sc(NC(=O)C[N@@H+]2CCC[C@H](C(=O)NC(C)C)C2)c(C#N)c1C ZINC000595848162 673329845 /nfs/dbraw/zinc/32/98/45/673329845.db2.gz AXYIPUGQKTXGLI-AWEZNQCLSA-N 1 2 362.499 2.412 20 30 FEEDLO C=CCCn1cc(C[N@H+]2CCC[C@@H](c3ncc(C(=O)OC)s3)C2)nn1 ZINC000595913348 673338493 /nfs/dbraw/zinc/33/84/93/673338493.db2.gz SNKFVQJJPBQECU-CYBMUJFWSA-N 1 2 361.471 2.477 20 30 FEEDLO C=CCCn1cc(C[N@@H+]2CCC[C@@H](c3ncc(C(=O)OC)s3)C2)nn1 ZINC000595913348 673338496 /nfs/dbraw/zinc/33/84/96/673338496.db2.gz SNKFVQJJPBQECU-CYBMUJFWSA-N 1 2 361.471 2.477 20 30 FEEDLO N#Cc1cccc(CNC(=O)CN2CC[NH+](Cc3ccsc3)CC2)c1 ZINC000536014920 673358384 /nfs/dbraw/zinc/35/83/84/673358384.db2.gz GJEJRSXNUWYPKB-UHFFFAOYSA-N 1 2 354.479 2.054 20 30 FEEDLO C=CCOc1ccc(C[N@H+]2CCC[C@@H](S(=O)(=O)NC)C2)cc1Cl ZINC000539831374 673508641 /nfs/dbraw/zinc/50/86/41/673508641.db2.gz BNXNLBGAXBVLPD-CQSZACIVSA-N 1 2 358.891 2.418 20 30 FEEDLO C=CCOc1ccc(C[N@@H+]2CCC[C@@H](S(=O)(=O)NC)C2)cc1Cl ZINC000539831374 673508646 /nfs/dbraw/zinc/50/86/46/673508646.db2.gz BNXNLBGAXBVLPD-CQSZACIVSA-N 1 2 358.891 2.418 20 30 FEEDLO N#Cc1cc(Cl)c(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)c(Cl)c1 ZINC000598151024 673541478 /nfs/dbraw/zinc/54/14/78/673541478.db2.gz NGUANBCLAAWSEE-GFCCVEGCSA-N 1 2 354.237 2.412 20 30 FEEDLO C[C@@H](CNS(=O)(=O)CC1(C#N)CCCC1)[N@@H+]1CCc2sccc2C1 ZINC000545388573 673765141 /nfs/dbraw/zinc/76/51/41/673765141.db2.gz XHYPCIQTPUPZNK-AWEZNQCLSA-N 1 2 367.540 2.498 20 30 FEEDLO C[C@@H](CNS(=O)(=O)CC1(C#N)CCCC1)[N@H+]1CCc2sccc2C1 ZINC000545388573 673765145 /nfs/dbraw/zinc/76/51/45/673765145.db2.gz XHYPCIQTPUPZNK-AWEZNQCLSA-N 1 2 367.540 2.498 20 30 FEEDLO N#Cc1cnc(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)c(Cl)c1 ZINC000601850859 673898821 /nfs/dbraw/zinc/89/88/21/673898821.db2.gz HQEFGTUNKJJAFV-UHFFFAOYSA-N 1 2 373.869 2.485 20 30 FEEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1cc(F)ccc1OC[C@H]1CCCO1 ZINC000819436886 675290390 /nfs/dbraw/zinc/29/03/90/675290390.db2.gz GTJRTAARYPZYFO-JKSUJKDBSA-N 1 2 351.422 2.002 20 30 FEEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1cc(F)ccc1OC[C@H]1CCCO1 ZINC000819436886 675290391 /nfs/dbraw/zinc/29/03/91/675290391.db2.gz GTJRTAARYPZYFO-JKSUJKDBSA-N 1 2 351.422 2.002 20 30 FEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1nc2cc(Br)ccc2o1 ZINC000820772393 675386644 /nfs/dbraw/zinc/38/66/44/675386644.db2.gz GACNJGVWAFRYOP-ZDUSSCGKSA-N 1 2 362.227 2.304 20 30 FEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1nc2cc(Br)ccc2o1 ZINC000820772393 675386645 /nfs/dbraw/zinc/38/66/45/675386645.db2.gz GACNJGVWAFRYOP-ZDUSSCGKSA-N 1 2 362.227 2.304 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000633281720 677040713 /nfs/dbraw/zinc/04/07/13/677040713.db2.gz ADCAXYMLUDHGIR-CVEARBPZSA-N 1 2 362.499 2.168 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000633318174 677042815 /nfs/dbraw/zinc/04/28/15/677042815.db2.gz NATMKXHWJXCLCE-HOTGVXAUSA-N 1 2 362.499 2.025 20 30 FEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2OCCO[C@@H]2c2ccccc2)C1 ZINC001014794150 680043864 /nfs/dbraw/zinc/04/38/64/680043864.db2.gz ZNDQGLMRHURZDD-BRWVUGGUSA-N 1 2 350.846 2.086 20 30 FEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2OCCO[C@@H]2c2ccccc2)C1 ZINC001014794150 680043868 /nfs/dbraw/zinc/04/38/68/680043868.db2.gz ZNDQGLMRHURZDD-BRWVUGGUSA-N 1 2 350.846 2.086 20 30 FEEDLO COc1cccc(N[NH+]=Cc2c(Cl)nc(N)nc2N2CCOCC2)c1 ZINC000874099511 685295524 /nfs/dbraw/zinc/29/55/24/685295524.db2.gz SUWPHZMOQRJJRX-UHFFFAOYSA-N 1 2 362.821 2.003 20 30 FEEDLO C=C(Cl)C(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000982799347 680287994 /nfs/dbraw/zinc/28/79/94/680287994.db2.gz FBLLXDCISKKAAM-MGPQQGTHSA-N 1 2 364.877 2.257 20 30 FEEDLO C=C(Cl)C(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000982799347 680287995 /nfs/dbraw/zinc/28/79/95/680287995.db2.gz FBLLXDCISKKAAM-MGPQQGTHSA-N 1 2 364.877 2.257 20 30 FEEDLO Cn1c[nH+]cc1CCOC(=O)COc1cccc(Br)c1C#N ZINC000835324218 680318794 /nfs/dbraw/zinc/31/87/94/680318794.db2.gz RAQSKRPGGYKFKT-UHFFFAOYSA-N 1 2 364.199 2.219 20 30 FEEDLO N#Cc1c(Br)cccc1OCC(=O)O[C@@H]1CC[N@@H+](CCF)C1 ZINC000835372134 680324805 /nfs/dbraw/zinc/32/48/05/680324805.db2.gz SCPNQPIQUUJMFC-LLVKDONJSA-N 1 2 371.206 2.287 20 30 FEEDLO N#Cc1c(Br)cccc1OCC(=O)O[C@@H]1CC[N@H+](CCF)C1 ZINC000835372134 680324807 /nfs/dbraw/zinc/32/48/07/680324807.db2.gz SCPNQPIQUUJMFC-LLVKDONJSA-N 1 2 371.206 2.287 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@H]1CCC[N@H+](Cc2nncs2)CC1 ZINC000998130880 680376777 /nfs/dbraw/zinc/37/67/77/680376777.db2.gz PPPWLBYAXITNTJ-XHSDSOJGSA-N 1 2 364.515 2.332 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@H]1CCC[N@@H+](Cc2nncs2)CC1 ZINC000998130880 680376780 /nfs/dbraw/zinc/37/67/80/680376780.db2.gz PPPWLBYAXITNTJ-XHSDSOJGSA-N 1 2 364.515 2.332 20 30 FEEDLO N#Cc1c(Nc2ccc(N3CCCCC3)[nH+]c2)cccc1S(N)(=O)=O ZINC000754980609 680391653 /nfs/dbraw/zinc/39/16/53/680391653.db2.gz SCWKNIWBURERNF-UHFFFAOYSA-N 1 2 357.439 2.335 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2csc(C)c2)CCO1 ZINC001035370860 680445272 /nfs/dbraw/zinc/44/52/72/680445272.db2.gz QPOJOJRZFSLYPJ-KURKYZTESA-N 1 2 364.511 2.355 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2csc(C)c2)CCO1 ZINC001035370860 680445276 /nfs/dbraw/zinc/44/52/76/680445276.db2.gz QPOJOJRZFSLYPJ-KURKYZTESA-N 1 2 364.511 2.355 20 30 FEEDLO C[S@@](=O)CC[NH+]1CCN(CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000755949136 680447455 /nfs/dbraw/zinc/44/74/55/680447455.db2.gz GYRDNPZCLDIUOW-XMMPIXPASA-N 1 2 358.429 2.053 20 30 FEEDLO NC(=NOCc1cnc(Cl)s1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000760351029 680683893 /nfs/dbraw/zinc/68/38/93/680683893.db2.gz LXNMNHQXEFIZJU-UHFFFAOYSA-N 1 2 366.874 2.466 20 30 FEEDLO C#CC[C@@H]1CCC[N@@H+](Cn2nc(CCC(N)=O)n(CC(C)C)c2=S)C1 ZINC000842627107 680955703 /nfs/dbraw/zinc/95/57/03/680955703.db2.gz FCVVWQCYPOJQJB-OAHLLOKOSA-N 1 2 363.531 2.181 20 30 FEEDLO C#CC[C@@H]1CCC[N@H+](Cn2nc(CCC(N)=O)n(CC(C)C)c2=S)C1 ZINC000842627107 680955704 /nfs/dbraw/zinc/95/57/04/680955704.db2.gz FCVVWQCYPOJQJB-OAHLLOKOSA-N 1 2 363.531 2.181 20 30 FEEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000769975975 681002060 /nfs/dbraw/zinc/00/20/60/681002060.db2.gz RIEOLBOOUVKKRF-NSHDSACASA-N 1 2 351.332 2.178 20 30 FEEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000769975975 681002061 /nfs/dbraw/zinc/00/20/61/681002061.db2.gz RIEOLBOOUVKKRF-NSHDSACASA-N 1 2 351.332 2.178 20 30 FEEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCN(c2snc(Cl)c2C#N)[C@@H]1C ZINC001050502778 681048939 /nfs/dbraw/zinc/04/89/39/681048939.db2.gz OSAPCBHPJRYWAV-KOLCDFICSA-N 1 2 364.862 2.026 20 30 FEEDLO Cc1nsc(N[C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)c1C#N ZINC001057773294 681164465 /nfs/dbraw/zinc/16/44/65/681164465.db2.gz HHNUJTCUBLBCMH-JHJVBQTASA-N 1 2 356.455 2.253 20 30 FEEDLO Cc1nsc(N[C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)c1C#N ZINC001057773294 681164468 /nfs/dbraw/zinc/16/44/68/681164468.db2.gz HHNUJTCUBLBCMH-JHJVBQTASA-N 1 2 356.455 2.253 20 30 FEEDLO CCOC(=O)[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000932645585 681276064 /nfs/dbraw/zinc/27/60/64/681276064.db2.gz XVAVWRPERYSNQD-NEPJUHHUSA-N 1 2 361.467 2.320 20 30 FEEDLO CCOC(=O)[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000932645585 681276068 /nfs/dbraw/zinc/27/60/68/681276068.db2.gz XVAVWRPERYSNQD-NEPJUHHUSA-N 1 2 361.467 2.320 20 30 FEEDLO N#Cc1ccc(Cl)cc1NC(=O)C[NH+]1CCC2(CCNC(=O)O2)CC1 ZINC000932764163 681304344 /nfs/dbraw/zinc/30/43/44/681304344.db2.gz YNAYOMFMLFZCOL-UHFFFAOYSA-N 1 2 362.817 2.115 20 30 FEEDLO C[C@H]1CSCCC[N@@H+]1CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000934300377 681547183 /nfs/dbraw/zinc/54/71/83/681547183.db2.gz CTRGZRHAWLRXJP-JSGCOSHPSA-N 1 2 356.451 2.339 20 30 FEEDLO C[C@H]1CSCCC[N@H+]1CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000934300377 681547188 /nfs/dbraw/zinc/54/71/88/681547188.db2.gz CTRGZRHAWLRXJP-JSGCOSHPSA-N 1 2 356.451 2.339 20 30 FEEDLO COc1ccc(C(N)=[NH+]OCc2ccc(OCC(F)(F)F)nn2)cc1 ZINC000848509093 681566461 /nfs/dbraw/zinc/56/64/61/681566461.db2.gz KREYVUOWRZRPBD-UHFFFAOYSA-N 1 2 356.304 2.263 20 30 FEEDLO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CC[C@@H](O)[C@H](F)C3)sc2C1 ZINC000934578326 681595655 /nfs/dbraw/zinc/59/56/55/681595655.db2.gz SHMYITQCPZJDFF-KCPJHIHWSA-N 1 2 365.474 2.478 20 30 FEEDLO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CC[C@@H](O)[C@H](F)C3)sc2C1 ZINC000934578326 681595662 /nfs/dbraw/zinc/59/56/62/681595662.db2.gz SHMYITQCPZJDFF-KCPJHIHWSA-N 1 2 365.474 2.478 20 30 FEEDLO N#Cc1ccc(NC(=S)N2CC[NH+]([C@H]3CCOC3)CC2)cc1Cl ZINC000849288412 681678848 /nfs/dbraw/zinc/67/88/48/681678848.db2.gz AXXGLDWIPDADKY-AWEZNQCLSA-N 1 2 350.875 2.315 20 30 FEEDLO C#C[C@@H](NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)c1ccc(Cl)cc1 ZINC000936049844 681884686 /nfs/dbraw/zinc/88/46/86/681884686.db2.gz SJOUPEDCNYJPTJ-KURKYZTESA-N 1 2 362.857 2.010 20 30 FEEDLO C=C(Cl)C(C)(C)C(=O)N1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000941262348 682117318 /nfs/dbraw/zinc/11/73/18/682117318.db2.gz OHHCIEJFOVYWSE-JHJVBQTASA-N 1 2 350.850 2.009 20 30 FEEDLO C=C(Cl)C(C)(C)C(=O)N1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000941262348 682117322 /nfs/dbraw/zinc/11/73/22/682117322.db2.gz OHHCIEJFOVYWSE-JHJVBQTASA-N 1 2 350.850 2.009 20 30 FEEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CCN(C(=O)CCn3cc[nH+]c3)C[C@H]21 ZINC000972339384 682407437 /nfs/dbraw/zinc/40/74/37/682407437.db2.gz DQIDQGAKOKRIOW-HUUCEWRRSA-N 1 2 364.877 2.111 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]([N@H+](C)CC(=C)Br)C1 ZINC000972528984 682420098 /nfs/dbraw/zinc/42/00/98/682420098.db2.gz FDDIXDBXPWCAAG-ILXRZTDVSA-N 1 2 357.292 2.409 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]([N@@H+](C)CC(=C)Br)C1 ZINC000972528984 682420103 /nfs/dbraw/zinc/42/01/03/682420103.db2.gz FDDIXDBXPWCAAG-ILXRZTDVSA-N 1 2 357.292 2.409 20 30 FEEDLO C#CCC[N@@H+](CCOC)Cn1c2cc(Br)c(F)cc2oc1=O ZINC000853620860 682446411 /nfs/dbraw/zinc/44/64/11/682446411.db2.gz HOZUYPHHIGAUFA-UHFFFAOYSA-N 1 2 371.206 2.425 20 30 FEEDLO C#CCC[N@H+](CCOC)Cn1c2cc(Br)c(F)cc2oc1=O ZINC000853620860 682446413 /nfs/dbraw/zinc/44/64/13/682446413.db2.gz HOZUYPHHIGAUFA-UHFFFAOYSA-N 1 2 371.206 2.425 20 30 FEEDLO C[C@@H](C[N@H+](C)CC(=O)Nc1sccc1C#N)NC(=O)OC(C)(C)C ZINC000860093929 683201468 /nfs/dbraw/zinc/20/14/68/683201468.db2.gz JPEMXPGUULQICX-NSHDSACASA-N 1 2 352.460 2.403 20 30 FEEDLO C[C@@H](C[N@@H+](C)CC(=O)Nc1sccc1C#N)NC(=O)OC(C)(C)C ZINC000860093929 683201470 /nfs/dbraw/zinc/20/14/70/683201470.db2.gz JPEMXPGUULQICX-NSHDSACASA-N 1 2 352.460 2.403 20 30 FEEDLO Cc1cc(F)cc(C#N)c1S(=O)(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000921084097 683393751 /nfs/dbraw/zinc/39/37/51/683393751.db2.gz SYJGKSPPTYIRKT-UHFFFAOYSA-N 1 2 368.459 2.002 20 30 FEEDLO CC(C)OCCS(=O)(=O)N1CC[NH+](CCCCC2(C#N)CCC2)CC1 ZINC000929773549 683637626 /nfs/dbraw/zinc/63/76/26/683637626.db2.gz ZTYHHQSFTWFGBZ-UHFFFAOYSA-N 1 2 371.547 2.223 20 30 FEEDLO CC(C)(C)OC(=O)N1CCC(F)(F)[C@H]([NH2+]C[C@H](O)CC2(C#N)CC2)C1 ZINC000863556897 683742007 /nfs/dbraw/zinc/74/20/07/683742007.db2.gz JCNYFTLNDTVYDZ-CHWSQXEVSA-N 1 2 359.417 2.275 20 30 FEEDLO C[C@@H]([NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1)c1cccc(C#N)c1O ZINC000866295508 684089973 /nfs/dbraw/zinc/08/99/73/684089973.db2.gz DTEBWLRNOSKVDQ-LLVKDONJSA-N 1 2 373.425 2.179 20 30 FEEDLO CC[C@H]([NH2+]C1CCN(S(=O)(=O)C2CC2)CC1)c1cccc(C#N)c1O ZINC000925511053 684566730 /nfs/dbraw/zinc/56/67/30/684566730.db2.gz FIDLDRPWMUACMJ-KRWDZBQOSA-N 1 2 363.483 2.261 20 30 FEEDLO C#CCC1(O)CC[NH+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000880480343 687052464 /nfs/dbraw/zinc/05/24/64/687052464.db2.gz PMWUPZXKFLNERI-UHFFFAOYSA-N 1 2 351.790 2.037 20 30 FEEDLO N#Cc1cc(NC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)c(F)cc1F ZINC000880712504 687077372 /nfs/dbraw/zinc/07/73/72/687077372.db2.gz PMHCQAGLOAKZAD-ZDUSSCGKSA-N 1 2 350.369 2.165 20 30 FEEDLO NC(=NOCCCOC(F)(F)F)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000882962371 687535089 /nfs/dbraw/zinc/53/50/89/687535089.db2.gz QUPKHLUREBMISU-UHFFFAOYSA-N 1 2 361.364 2.082 20 30 FEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCCc1nc2cc(Cl)ccc2s1 ZINC000884064156 687782296 /nfs/dbraw/zinc/78/22/96/687782296.db2.gz YKNWZKXIALYKQT-NSHDSACASA-N 1 2 367.858 2.055 20 30 FEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCCc1nc(C2CCCCC2)cs1 ZINC000884220341 687822295 /nfs/dbraw/zinc/82/22/95/687822295.db2.gz PBFGVBHHGZCXJD-AWEZNQCLSA-N 1 2 365.499 2.296 20 30 FEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1C[C@@H](c2cccc(Cl)c2)OC[C@H]1C ZINC000884325642 687849148 /nfs/dbraw/zinc/84/91/48/687849148.db2.gz WSDUPLUJJOZAQW-KCXAZCMYSA-N 1 2 366.845 2.075 20 30 FEEDLO CC(C)OCC[NH+]1CCN(C(=O)Nc2nc(Cl)c(C#N)s2)CC1 ZINC000888413627 688607567 /nfs/dbraw/zinc/60/75/67/688607567.db2.gz AOBZBGQIASSXAA-UHFFFAOYSA-N 1 2 357.867 2.243 20 30 FEEDLO Cc1cnc(N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)c(C=NO)c1 ZINC001165010093 721710525 /nfs/dbraw/zinc/71/05/25/721710525.db2.gz ZXRFCNZMEKAJMA-UHFFFAOYSA-N 1 2 357.462 2.040 20 30 FEEDLO Cc1cnc(N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)c(C=NO)c1 ZINC001165010093 721710526 /nfs/dbraw/zinc/71/05/26/721710526.db2.gz ZXRFCNZMEKAJMA-UHFFFAOYSA-N 1 2 357.462 2.040 20 30 FEEDLO COc1c(C)c[nH+]c(Cn2cnc(NC(=O)c3ccc(C#N)o3)n2)c1C ZINC000509238936 884173975 /nfs/dbraw/zinc/17/39/75/884173975.db2.gz ZIRQLAHVEQKVAU-UHFFFAOYSA-N 1 2 352.354 2.064 20 30 FEEDLO N#Cc1cccc(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)c1 ZINC000023786943 539720669 /nfs/dbraw/zinc/72/06/69/539720669.db2.gz QFZBLSPKWBVRAZ-UHFFFAOYSA-N 1 2 363.417 2.287 20 30 FEEDLO CO/N=C/c1ccc(C(=O)NCc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000024379419 539730831 /nfs/dbraw/zinc/73/08/31/539730831.db2.gz UQVGEHWGOHIYMZ-OEAKJJBVSA-N 1 2 367.449 2.429 20 30 FEEDLO N#CCc1ccc(OC[C@H](O)C[NH+]2CCN(Cc3cccs3)CC2)cc1 ZINC000025232298 539752196 /nfs/dbraw/zinc/75/21/96/539752196.db2.gz OIYMCAZAPQBMAN-GOSISDBHSA-N 1 2 371.506 2.372 20 30 FEEDLO C=CCNC(=O)C[N@H+]1CCC[C@@H]1C(=O)Nc1ccc(Br)cc1 ZINC000026944232 539798457 /nfs/dbraw/zinc/79/84/57/539798457.db2.gz HWCCPDWPNJSMAA-CQSZACIVSA-N 1 2 366.259 2.154 20 30 FEEDLO C=CCNC(=O)C[N@@H+]1CCC[C@@H]1C(=O)Nc1ccc(Br)cc1 ZINC000026944232 539798459 /nfs/dbraw/zinc/79/84/59/539798459.db2.gz HWCCPDWPNJSMAA-CQSZACIVSA-N 1 2 366.259 2.154 20 30 FEEDLO C[C@H]1CCCCN1C(=O)C[NH+]1CCN(Cc2cc(C#N)ccc2F)CC1 ZINC000029682340 539860548 /nfs/dbraw/zinc/86/05/48/539860548.db2.gz GOIFVWHXWPCSKU-INIZCTEOSA-N 1 2 358.461 2.216 20 30 FEEDLO N#CCOc1ccc(/C=C/C(=O)N2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000033237380 539972287 /nfs/dbraw/zinc/97/22/87/539972287.db2.gz XGNXNEAIAHDPQA-RMKNXTFCSA-N 1 2 362.433 2.342 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)CN1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000034887006 539978448 /nfs/dbraw/zinc/97/84/48/539978448.db2.gz IXKOUIUAWBIUKP-CLNPQZTCSA-N 1 2 354.498 2.372 20 30 FEEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1Br ZINC000043631842 540105639 /nfs/dbraw/zinc/10/56/39/540105639.db2.gz QIWWZWLKLHRGOK-LLVKDONJSA-N 1 2 354.248 2.281 20 30 FEEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1Br ZINC000043631842 540105642 /nfs/dbraw/zinc/10/56/42/540105642.db2.gz QIWWZWLKLHRGOK-LLVKDONJSA-N 1 2 354.248 2.281 20 30 FEEDLO COc1cc(OC)cc([C@@H](NC(=O)N(C)C[C@H](C)C#N)c2[nH+]ccn2C)c1 ZINC000045310885 540209667 /nfs/dbraw/zinc/20/96/67/540209667.db2.gz VOVGYPOJFCPYFQ-CXAGYDPISA-N 1 2 371.441 2.328 20 30 FEEDLO Cc1cccn2cc(CS(=O)(=O)CC(=O)Nc3cccc(C#N)c3)[nH+]c12 ZINC000046184157 540246949 /nfs/dbraw/zinc/24/69/49/540246949.db2.gz VBEDSUBNISYJDL-UHFFFAOYSA-N 1 2 368.418 2.068 20 30 FEEDLO Cc1[nH+]c2cc(NC(=O)C(=O)NCc3ccc(C#N)cc3F)ccc2n1C ZINC000076282872 542254727 /nfs/dbraw/zinc/25/47/27/542254727.db2.gz XFRHDRAYGLCMQP-UHFFFAOYSA-N 1 2 365.368 2.147 20 30 FEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000047744909 540327035 /nfs/dbraw/zinc/32/70/35/540327035.db2.gz AGQUUPAHKQNZDR-MRXNPFEDSA-N 1 2 358.442 2.306 20 30 FEEDLO N#CCOc1cccc(NC(=O)NCc2cc[nH+]c(N3CCOCC3)c2)c1 ZINC000048510219 540365472 /nfs/dbraw/zinc/36/54/72/540365472.db2.gz CUQHDSOSJVIEEZ-UHFFFAOYSA-N 1 2 367.409 2.142 20 30 FEEDLO N#Cc1ccsc1C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000052148393 540455642 /nfs/dbraw/zinc/45/56/42/540455642.db2.gz GAAIGLRVSJUTFO-UHFFFAOYSA-N 1 2 371.462 2.261 20 30 FEEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@H]1Cc1c(F)cccc1Cl ZINC000052038122 540452586 /nfs/dbraw/zinc/45/25/86/540452586.db2.gz GGKYYLCCNXZWKC-LBPRGKRZSA-N 1 2 353.825 2.498 20 30 FEEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H]1Cc1c(F)cccc1Cl ZINC000052038122 540452589 /nfs/dbraw/zinc/45/25/89/540452589.db2.gz GGKYYLCCNXZWKC-LBPRGKRZSA-N 1 2 353.825 2.498 20 30 FEEDLO C=CC[N@@H+](CC(=O)N[C@@H](C(=O)NC)c1ccccc1)Cc1ccccc1 ZINC000052579343 540474873 /nfs/dbraw/zinc/47/48/73/540474873.db2.gz ADXKJHXQDRMXFQ-HXUWFJFHSA-N 1 2 351.450 2.278 20 30 FEEDLO C=CC[N@H+](CC(=O)N[C@@H](C(=O)NC)c1ccccc1)Cc1ccccc1 ZINC000052579343 540474875 /nfs/dbraw/zinc/47/48/75/540474875.db2.gz ADXKJHXQDRMXFQ-HXUWFJFHSA-N 1 2 351.450 2.278 20 30 FEEDLO N#Cc1ccsc1NC(=O)C[NH+]1CCC(C(=O)Nc2ccccn2)CC1 ZINC000052828439 540491417 /nfs/dbraw/zinc/49/14/17/540491417.db2.gz FEESPFIKWNYHOK-UHFFFAOYSA-N 1 2 369.450 2.304 20 30 FEEDLO N#Cc1cccc(S(=O)(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000054534171 540594471 /nfs/dbraw/zinc/59/44/71/540594471.db2.gz POLLXBMDACNDLA-UHFFFAOYSA-N 1 2 352.419 2.282 20 30 FEEDLO COCCN(Cc1ccc(C#N)cc1)C(=O)NCCCCn1cc[nH+]c1 ZINC000057617370 540804805 /nfs/dbraw/zinc/80/48/05/540804805.db2.gz GZJDFSFRFSQCKE-UHFFFAOYSA-N 1 2 355.442 2.393 20 30 FEEDLO CN(Cc1[nH+]ccn1CC(F)(F)F)S(=O)(=O)c1ccc(C#N)cc1 ZINC000057874555 540821364 /nfs/dbraw/zinc/82/13/64/540821364.db2.gz LAQLFWSSOJMPEC-UHFFFAOYSA-N 1 2 358.345 2.138 20 30 FEEDLO COCC[N@H+](CC(=O)NC1(C#N)CCCCC1)Cc1ccc(C#N)cc1 ZINC000058397978 540842069 /nfs/dbraw/zinc/84/20/69/540842069.db2.gz RCYDBQNISOCZEQ-UHFFFAOYSA-N 1 2 354.454 2.349 20 30 FEEDLO COCC[N@@H+](CC(=O)NC1(C#N)CCCCC1)Cc1ccc(C#N)cc1 ZINC000058397978 540842075 /nfs/dbraw/zinc/84/20/75/540842075.db2.gz RCYDBQNISOCZEQ-UHFFFAOYSA-N 1 2 354.454 2.349 20 30 FEEDLO Cc1noc(C)c1C[NH+]1CCN([C@H](C)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000065682160 541252987 /nfs/dbraw/zinc/25/29/87/541252987.db2.gz PGNPJGHRULHFDX-OAHLLOKOSA-N 1 2 367.453 2.308 20 30 FEEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCCCn1cc[nH+]c1 ZINC000066981104 541402913 /nfs/dbraw/zinc/40/29/13/541402913.db2.gz ZTQHUMRTQTVHOO-CQSZACIVSA-N 1 2 371.466 2.422 20 30 FEEDLO C=CC[N@@H+](CCC(=O)Nc1ccccc1SC)[C@@H]1CCS(=O)(=O)C1 ZINC000067400072 541456973 /nfs/dbraw/zinc/45/69/73/541456973.db2.gz ULMMYCBHSGFDOO-CQSZACIVSA-N 1 2 368.524 2.412 20 30 FEEDLO C=CC[N@H+](CCC(=O)Nc1ccccc1SC)[C@@H]1CCS(=O)(=O)C1 ZINC000067400072 541456976 /nfs/dbraw/zinc/45/69/76/541456976.db2.gz ULMMYCBHSGFDOO-CQSZACIVSA-N 1 2 368.524 2.412 20 30 FEEDLO NC(=[NH+]OCC(=O)N1CCCCCC1)c1ccc(N2CCCCC2)nc1 ZINC000068270704 541570573 /nfs/dbraw/zinc/57/05/73/541570573.db2.gz ICKSLPRIZIPINM-UHFFFAOYSA-N 1 2 359.474 2.111 20 30 FEEDLO N#Cc1cc(NC(=O)C(=O)NCC[NH+]2Cc3ccccc3C2)ccc1Cl ZINC000068686676 541619926 /nfs/dbraw/zinc/61/99/26/541619926.db2.gz ZJGHMOPJMPKLGR-UHFFFAOYSA-N 1 2 368.824 2.282 20 30 FEEDLO N#Cc1cccc(NC(=O)CC[N@@H+]2CCNC(=O)[C@@H]2c2cccs2)c1 ZINC000072800568 541868719 /nfs/dbraw/zinc/86/87/19/541868719.db2.gz YKGUZALXXDJMFW-KRWDZBQOSA-N 1 2 354.435 2.121 20 30 FEEDLO N#Cc1cccc(NC(=O)CC[N@H+]2CCNC(=O)[C@@H]2c2cccs2)c1 ZINC000072800568 541868723 /nfs/dbraw/zinc/86/87/23/541868723.db2.gz YKGUZALXXDJMFW-KRWDZBQOSA-N 1 2 354.435 2.121 20 30 FEEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CC(=O)N1CCC2(CC1)OCCO2 ZINC000072898245 541890386 /nfs/dbraw/zinc/89/03/86/541890386.db2.gz IJZIWQONYLNCHN-MOPGFXCFSA-N 1 2 369.465 2.124 20 30 FEEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CC(=O)N1CCC2(CC1)OCCO2 ZINC000072898245 541890390 /nfs/dbraw/zinc/89/03/90/541890390.db2.gz IJZIWQONYLNCHN-MOPGFXCFSA-N 1 2 369.465 2.124 20 30 FEEDLO COc1ccccc1C[NH+]1CCN([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000076343301 542266150 /nfs/dbraw/zinc/26/61/50/542266150.db2.gz UHMDXIACCYAFRF-LAUBAEHRSA-N 1 2 372.513 2.256 20 30 FEEDLO COc1cc[nH+]cc1NC(=O)C(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000076731283 542318688 /nfs/dbraw/zinc/31/86/88/542318688.db2.gz ZLFQMCDASVTMMK-NVXWUHKLSA-N 1 2 364.405 2.327 20 30 FEEDLO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1S(=O)(=O)c1cccc(C#N)c1 ZINC000076854960 542327259 /nfs/dbraw/zinc/32/72/59/542327259.db2.gz YFYSABNIQKCLJN-MRXNPFEDSA-N 1 2 355.463 2.453 20 30 FEEDLO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1S(=O)(=O)c1cccc(C#N)c1 ZINC000076854960 542327261 /nfs/dbraw/zinc/32/72/61/542327261.db2.gz YFYSABNIQKCLJN-MRXNPFEDSA-N 1 2 355.463 2.453 20 30 FEEDLO CCc1ccc(-c2noc(CN(CCC#N)CC[NH+]3CCOCC3)n2)cc1 ZINC000078688318 542476463 /nfs/dbraw/zinc/47/64/63/542476463.db2.gz DQRSIQSIUDMPLU-UHFFFAOYSA-N 1 2 369.469 2.347 20 30 FEEDLO Cc1cc(C)c(C#N)c(N2CC[NH+](CC(=O)N3CCCC[C@@H]3C)CC2)n1 ZINC000079024426 542494641 /nfs/dbraw/zinc/49/46/41/542494641.db2.gz OOVXPBVLEVAKEU-KRWDZBQOSA-N 1 2 355.486 2.093 20 30 FEEDLO Cc1ccccc1Cc1noc(CN(CCC#N)CC[NH+]2CCOCC2)n1 ZINC000079464518 542520425 /nfs/dbraw/zinc/52/04/25/542520425.db2.gz VFJZJFVLVJLWSF-UHFFFAOYSA-N 1 2 369.469 2.017 20 30 FEEDLO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)C1 ZINC000081337806 542649896 /nfs/dbraw/zinc/64/98/96/542649896.db2.gz JYNLZHKTYIAQJM-VQTJNVASSA-N 1 2 365.433 2.277 20 30 FEEDLO C[N@H+]1CCO[C@@H](C(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)C1 ZINC000081337806 542649900 /nfs/dbraw/zinc/64/99/00/542649900.db2.gz JYNLZHKTYIAQJM-VQTJNVASSA-N 1 2 365.433 2.277 20 30 FEEDLO O=C(Nc1nc2ccc(F)cn2n1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000085740978 542731886 /nfs/dbraw/zinc/73/18/86/542731886.db2.gz XEOQLKSIVWGXDD-HNNXBMFYSA-N 1 2 355.373 2.357 20 30 FEEDLO O=C(Nc1nc2ccc(F)cn2n1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000085740978 542731890 /nfs/dbraw/zinc/73/18/90/542731890.db2.gz XEOQLKSIVWGXDD-HNNXBMFYSA-N 1 2 355.373 2.357 20 30 FEEDLO C=CC[N@@H+](CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)Cc1cccs1 ZINC000091516095 542811812 /nfs/dbraw/zinc/81/18/12/542811812.db2.gz MPHZPSLMPSYPOB-SFHVURJKSA-N 1 2 360.527 2.428 20 30 FEEDLO C=CC[N@H+](CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)Cc1cccs1 ZINC000091516095 542811814 /nfs/dbraw/zinc/81/18/14/542811814.db2.gz MPHZPSLMPSYPOB-SFHVURJKSA-N 1 2 360.527 2.428 20 30 FEEDLO N#Cc1ccc(OC2CCC(NC(=O)[C@H]3CCn4cc[nH+]c4C3)CC2)nc1 ZINC000092046209 542841111 /nfs/dbraw/zinc/84/11/11/542841111.db2.gz FTNKCBRZZHJKKS-GTPINHCMSA-N 1 2 365.437 2.219 20 30 FEEDLO N#Cc1cc(NC(=O)C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)ccc1F ZINC000102962629 543086991 /nfs/dbraw/zinc/08/69/91/543086991.db2.gz DOXXNGAOQYKALU-UHFFFAOYSA-N 1 2 371.759 2.253 20 30 FEEDLO CCOC(=O)C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)C1CC1 ZINC000103469946 543109758 /nfs/dbraw/zinc/10/97/58/543109758.db2.gz LFFIBVLJSFBWAK-UHFFFAOYSA-N 1 2 361.467 2.465 20 30 FEEDLO CCOC(=O)C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)C1CC1 ZINC000103469946 543109762 /nfs/dbraw/zinc/10/97/62/543109762.db2.gz LFFIBVLJSFBWAK-UHFFFAOYSA-N 1 2 361.467 2.465 20 30 FEEDLO COc1cc(OC)cc([C@@H](Nc2cnc(C#N)cn2)c2[nH+]ccn2C)c1 ZINC000106463328 543231428 /nfs/dbraw/zinc/23/14/28/543231428.db2.gz GWWWZTWTKGLXSH-QGZVFWFLSA-N 1 2 350.382 2.300 20 30 FEEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000106868961 543251356 /nfs/dbraw/zinc/25/13/56/543251356.db2.gz IFFKYZRRNRTAFW-BBRMVZONSA-N 1 2 358.442 2.484 20 30 FEEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000106868961 543251359 /nfs/dbraw/zinc/25/13/59/543251359.db2.gz IFFKYZRRNRTAFW-BBRMVZONSA-N 1 2 358.442 2.484 20 30 FEEDLO CC(C)(C)C[N@H+](CCC#N)CC(=O)NCc1cccc(C(=O)NC2CC2)c1 ZINC000109812371 543339814 /nfs/dbraw/zinc/33/98/14/543339814.db2.gz RJZXLUFKKGNULU-UHFFFAOYSA-N 1 2 370.497 2.457 20 30 FEEDLO CC(C)(C)C[N@@H+](CCC#N)CC(=O)NCc1cccc(C(=O)NC2CC2)c1 ZINC000109812371 543339816 /nfs/dbraw/zinc/33/98/16/543339816.db2.gz RJZXLUFKKGNULU-UHFFFAOYSA-N 1 2 370.497 2.457 20 30 FEEDLO N#CCCN(C(=O)CN1CCCC[C@@H]1C[NH+]1CCOCC1)c1ccccc1 ZINC000109820036 543340934 /nfs/dbraw/zinc/34/09/34/543340934.db2.gz VLWNMJVYLJWWCG-HXUWFJFHSA-N 1 2 370.497 2.120 20 30 FEEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)CCC(=O)N(CCC#N)c1ccccc1 ZINC000111043885 543379659 /nfs/dbraw/zinc/37/96/59/543379659.db2.gz ZBLSEIKMGDSDLT-MRXNPFEDSA-N 1 2 353.426 2.115 20 30 FEEDLO N#Cc1ccc(N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)cc1 ZINC000112504270 543449961 /nfs/dbraw/zinc/44/99/61/543449961.db2.gz PWNZEAXSNPEMGD-GOSISDBHSA-N 1 2 364.453 2.266 20 30 FEEDLO N#Cc1ccc(N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)cc1 ZINC000112504270 543449963 /nfs/dbraw/zinc/44/99/63/543449963.db2.gz PWNZEAXSNPEMGD-GOSISDBHSA-N 1 2 364.453 2.266 20 30 FEEDLO N#Cc1c2c(n(-c3ccccc3)c1NC(=O)C[N@H+]1CC[C@H](O)C1)CCCC2 ZINC000114470082 543519306 /nfs/dbraw/zinc/51/93/06/543519306.db2.gz IUVMIHAZRHLJRV-INIZCTEOSA-N 1 2 364.449 2.233 20 30 FEEDLO N#Cc1c2c(n(-c3ccccc3)c1NC(=O)C[N@@H+]1CC[C@H](O)C1)CCCC2 ZINC000114470082 543519309 /nfs/dbraw/zinc/51/93/09/543519309.db2.gz IUVMIHAZRHLJRV-INIZCTEOSA-N 1 2 364.449 2.233 20 30 FEEDLO C[C@@H]([NH2+][C@@H](C)c1nnnn1-c1ccccc1)C(=O)Nc1ccccc1C#N ZINC000115604744 543578175 /nfs/dbraw/zinc/57/81/75/543578175.db2.gz TVLVGBBHSDGGFO-UONOGXRCSA-N 1 2 361.409 2.212 20 30 FEEDLO COc1cc(C#N)ccc1OCC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000123921993 543791509 /nfs/dbraw/zinc/79/15/09/543791509.db2.gz ZYOPQHRNERPAEB-HOCLYGCPSA-N 1 2 354.410 2.252 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(Cc3nc4ccccc4c(=O)[nH]3)CC2)s1 ZINC000123531893 543767827 /nfs/dbraw/zinc/76/78/27/543767827.db2.gz VMGNGQFFIBLOHR-UHFFFAOYSA-N 1 2 365.462 2.174 20 30 FEEDLO CC(C)(CNS(=O)(=O)c1c(F)cc(C#N)cc1F)[NH+]1CCCCC1 ZINC000124214243 543807466 /nfs/dbraw/zinc/80/74/66/543807466.db2.gz UQSVLEOQBKEURX-UHFFFAOYSA-N 1 2 357.426 2.379 20 30 FEEDLO C=CCOc1ccc(CN2CC[NH+]([C@@H](C)C(=O)NC3CC3)CC2)cc1OC ZINC000126312451 543929460 /nfs/dbraw/zinc/92/94/60/543929460.db2.gz FSVQDVFJOABIIN-INIZCTEOSA-N 1 2 373.497 2.045 20 30 FEEDLO C=CCOc1ccc(C[NH+]2CCN([C@@H](C)C(=O)NC3CC3)CC2)cc1OC ZINC000126312451 543929464 /nfs/dbraw/zinc/92/94/64/543929464.db2.gz FSVQDVFJOABIIN-INIZCTEOSA-N 1 2 373.497 2.045 20 30 FEEDLO C[C@@](C#N)(NC(=O)C[NH+]1CCC(c2ncc(C(F)(F)F)[nH]2)CC1)C1CC1 ZINC000125651936 543894012 /nfs/dbraw/zinc/89/40/12/543894012.db2.gz ZTKSVNWKJCHCCK-INIZCTEOSA-N 1 2 369.391 2.416 20 30 FEEDLO CC(=O)NC1CC[NH+](CC(=O)N(CCC#N)c2cccc(Cl)c2)CC1 ZINC000126882638 543961419 /nfs/dbraw/zinc/96/14/19/543961419.db2.gz XPCDPNUGPKZFEB-UHFFFAOYSA-N 1 2 362.861 2.187 20 30 FEEDLO CN(CCCn1cc[nH+]c1)C(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000129879656 544130566 /nfs/dbraw/zinc/13/05/66/544130566.db2.gz XBPJOTZODKUBHJ-UHFFFAOYSA-N 1 2 353.426 2.171 20 30 FEEDLO CCC(=O)N[C@H]1CCC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000130477087 544152552 /nfs/dbraw/zinc/15/25/52/544152552.db2.gz ZSIVHHXGALDNKQ-IRXDYDNUSA-N 1 2 356.470 2.312 20 30 FEEDLO CCC(=O)N[C@H]1CCC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000130477087 544152553 /nfs/dbraw/zinc/15/25/53/544152553.db2.gz ZSIVHHXGALDNKQ-IRXDYDNUSA-N 1 2 356.470 2.312 20 30 FEEDLO CC1CCC(NC(=O)CN2CC[NH+](Cc3ccc(C#N)s3)CC2)CC1 ZINC000131272030 544183009 /nfs/dbraw/zinc/18/30/09/544183009.db2.gz LBDGGFQCZSDUQY-UHFFFAOYSA-N 1 2 360.527 2.432 20 30 FEEDLO C=CCC[C@H](NC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)c1ccccc1 ZINC000131037227 544174892 /nfs/dbraw/zinc/17/48/92/544174892.db2.gz KMYJSYIRMUFHIZ-OALUTQOASA-N 1 2 361.486 2.028 20 30 FEEDLO NC(CCO)=[NH+]OCC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000136074094 544366419 /nfs/dbraw/zinc/36/64/19/544366419.db2.gz VIJFQIZHDJVUKA-UHFFFAOYSA-N 1 2 373.253 2.334 20 30 FEEDLO C=CCCOCC(=O)N[C@@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1 ZINC000144982958 544432288 /nfs/dbraw/zinc/43/22/88/544432288.db2.gz LSNNLWUOZYANFE-GOSISDBHSA-N 1 2 359.426 2.236 20 30 FEEDLO N#Cc1ccc([C@@H]([NH2+][C@H]2CCN(c3ccc(Cl)cc3)C2=O)C(N)=O)cc1 ZINC000151847986 544587620 /nfs/dbraw/zinc/58/76/20/544587620.db2.gz HHWBMUCIKXJGSW-DLBZAZTESA-N 1 2 368.824 2.133 20 30 FEEDLO CC[C@@H](C#N)Oc1cc(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)ccc1OC ZINC000152596798 544671729 /nfs/dbraw/zinc/67/17/29/544671729.db2.gz XXGVPZNDAWIDLM-WBVHZDCISA-N 1 2 368.437 2.451 20 30 FEEDLO CN(CCC#N)c1ccc(CN(CCC#N)CC[NH+]2CCOCC2)cc1 ZINC000154802103 544951407 /nfs/dbraw/zinc/95/14/07/544951407.db2.gz RWUYTHZLCQEVSC-UHFFFAOYSA-N 1 2 355.486 2.084 20 30 FEEDLO CN(CCC#N)c1ccc(C[N@H+](CCC#N)CCN2CCOCC2)cc1 ZINC000154802103 544951412 /nfs/dbraw/zinc/95/14/12/544951412.db2.gz RWUYTHZLCQEVSC-UHFFFAOYSA-N 1 2 355.486 2.084 20 30 FEEDLO CN(CCC#N)c1ccc(C[N@@H+](CCC#N)CCN2CCOCC2)cc1 ZINC000154802103 544951416 /nfs/dbraw/zinc/95/14/16/544951416.db2.gz RWUYTHZLCQEVSC-UHFFFAOYSA-N 1 2 355.486 2.084 20 30 FEEDLO COc1cccc(CN(CCC#N)CC[NH+]2CCOCC2)c1OC(F)F ZINC000154761300 544946188 /nfs/dbraw/zinc/94/61/88/544946188.db2.gz MMVQPOYZQILOKB-UHFFFAOYSA-N 1 2 369.412 2.344 20 30 FEEDLO CC#CCC[NH+]1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000155086688 544987750 /nfs/dbraw/zinc/98/77/50/544987750.db2.gz BLAMNRVUTMYQMT-UHFFFAOYSA-N 1 2 371.300 2.169 20 30 FEEDLO N#Cc1cc(C(=O)N2CCN(Cc3cn4cc(Cl)ccc4[nH+]3)CC2)c[nH]1 ZINC000181257431 327722459 /nfs/dbraw/zinc/72/24/59/327722459.db2.gz GULSZYBIIYMTEL-UHFFFAOYSA-N 1 2 368.828 2.145 20 30 FEEDLO N#Cc1ccccc1Oc1ccccc1C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000183428767 327817453 /nfs/dbraw/zinc/81/74/53/327817453.db2.gz KHPWPYDFNFLDAB-QGZVFWFLSA-N 1 2 362.433 2.080 20 30 FEEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccc(C#N)c(O)c3)CC2)cc1 ZINC000189975306 328180205 /nfs/dbraw/zinc/18/02/05/328180205.db2.gz HNFFGOSDPWQIBW-UHFFFAOYSA-N 1 2 360.417 2.484 20 30 FEEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(C#N)c(O)c3)CC2)cc1 ZINC000189975306 328180207 /nfs/dbraw/zinc/18/02/07/328180207.db2.gz HNFFGOSDPWQIBW-UHFFFAOYSA-N 1 2 360.417 2.484 20 30 FEEDLO N#Cc1ccc(Br)c(CN2CC[C@H]([NH+]3CCOCC3)C2)c1 ZINC000191795266 328282259 /nfs/dbraw/zinc/28/22/59/328282259.db2.gz ARIKDEUFYWBTGX-HNNXBMFYSA-N 1 2 350.260 2.227 20 30 FEEDLO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(Cc2ccc(C#N)c(F)c2)CC1 ZINC000191994351 328292442 /nfs/dbraw/zinc/29/24/42/328292442.db2.gz YJGZZDIPPMRPOZ-HNNXBMFYSA-N 1 2 358.461 2.262 20 30 FEEDLO COC(=O)[C@@H](NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1)c1cccc(C#N)c1 ZINC000083029774 325211426 /nfs/dbraw/zinc/21/14/26/325211426.db2.gz IYBAMOHNODLOOS-RKVPGOIHSA-N 1 2 359.470 2.250 20 30 FEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[NH+]1CCC(C(=O)N2CCCCC2)CC1 ZINC000083128411 325213520 /nfs/dbraw/zinc/21/35/20/325213520.db2.gz QDEKCXXKILMWFE-IBGZPJMESA-N 1 2 369.465 2.497 20 30 FEEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCCN(CC(F)F)CC1 ZINC000091083976 325373785 /nfs/dbraw/zinc/37/37/85/325373785.db2.gz KGHXODRIIWUUCK-UHFFFAOYSA-N 1 2 356.804 2.423 20 30 FEEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCCN(CC(F)F)CC1 ZINC000091083976 325373787 /nfs/dbraw/zinc/37/37/87/325373787.db2.gz KGHXODRIIWUUCK-UHFFFAOYSA-N 1 2 356.804 2.423 20 30 FEEDLO C[C@H](C(=O)NCCc1ccccc1)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000101728789 325478396 /nfs/dbraw/zinc/47/83/96/325478396.db2.gz YVKCWRHJGPMDRV-GOSISDBHSA-N 1 2 362.477 2.428 20 30 FEEDLO N#Cc1ccccc1OCc1cccc(C(=O)NCC[NH+]2CCOCC2)c1 ZINC000114675199 325911682 /nfs/dbraw/zinc/91/16/82/325911682.db2.gz HMIYQBACDKUGTJ-UHFFFAOYSA-N 1 2 365.433 2.199 20 30 FEEDLO N#Cc1ccc(NC(=O)C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)cc1 ZINC000120110462 326231294 /nfs/dbraw/zinc/23/12/94/326231294.db2.gz XMHNITWIAHPRLH-UHFFFAOYSA-N 1 2 363.421 2.198 20 30 FEEDLO COc1cc(C#N)ccc1C[N@@H+](CC(=O)N1CCCC1)C[C@H]1CCCO1 ZINC000121088783 326312341 /nfs/dbraw/zinc/31/23/41/326312341.db2.gz REBNISLWVKMSIO-GOSISDBHSA-N 1 2 357.454 2.170 20 30 FEEDLO COc1cc(C#N)ccc1C[N@H+](CC(=O)N1CCCC1)C[C@H]1CCCO1 ZINC000121088783 326312343 /nfs/dbraw/zinc/31/23/43/326312343.db2.gz REBNISLWVKMSIO-GOSISDBHSA-N 1 2 357.454 2.170 20 30 FEEDLO Cc1oc(NC(=O)C[NH2+][C@@](C)(C(N)=O)c2cccc(Cl)c2)c(C#N)c1C ZINC000127247179 326502751 /nfs/dbraw/zinc/50/27/51/326502751.db2.gz SJZUCYRZNLFDOV-GOSISDBHSA-N 1 2 374.828 2.350 20 30 FEEDLO N#Cc1ccsc1C(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000128146832 326518735 /nfs/dbraw/zinc/51/87/35/326518735.db2.gz ZIRFMXQYMQOQLK-UHFFFAOYSA-N 1 2 351.435 2.225 20 30 FEEDLO CC(C)[C@H](CNC(=O)C(C)(C)Oc1ccc(C#N)cc1)[NH+]1CCOCC1 ZINC000161925617 327012615 /nfs/dbraw/zinc/01/26/15/327012615.db2.gz SHAOVQLUNCHZPT-SFHVURJKSA-N 1 2 359.470 2.189 20 30 FEEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000162067487 327016065 /nfs/dbraw/zinc/01/60/65/327016065.db2.gz ACSOMZFKGIHWJC-CYBMUJFWSA-N 1 2 356.455 2.364 20 30 FEEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000162067487 327016067 /nfs/dbraw/zinc/01/60/67/327016067.db2.gz ACSOMZFKGIHWJC-CYBMUJFWSA-N 1 2 356.455 2.364 20 30 FEEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000163024096 327040725 /nfs/dbraw/zinc/04/07/25/327040725.db2.gz FSURLUCUYWMQRI-HIFRSBDPSA-N 1 2 358.467 2.034 20 30 FEEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000163024096 327040727 /nfs/dbraw/zinc/04/07/27/327040727.db2.gz FSURLUCUYWMQRI-HIFRSBDPSA-N 1 2 358.467 2.034 20 30 FEEDLO N#Cc1ccc(OCC[NH+]2CCN(CC(=O)NC3CCCCC3)CC2)cc1 ZINC000171395423 327136689 /nfs/dbraw/zinc/13/66/89/327136689.db2.gz ILFAWQYBBDALQC-UHFFFAOYSA-N 1 2 370.497 2.004 20 30 FEEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173468312 327259432 /nfs/dbraw/zinc/25/94/32/327259432.db2.gz DOTGZQKELAOSBK-LBPRGKRZSA-N 1 2 372.410 2.048 20 30 FEEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173468312 327259433 /nfs/dbraw/zinc/25/94/33/327259433.db2.gz DOTGZQKELAOSBK-LBPRGKRZSA-N 1 2 372.410 2.048 20 30 FEEDLO C[C@@]([NH2+]CC(=O)Nc1sccc1C#N)(C(N)=O)c1cccc(Cl)c1 ZINC000177402474 327519881 /nfs/dbraw/zinc/51/98/81/327519881.db2.gz OMXBZJKIMRQOAG-INIZCTEOSA-N 1 2 362.842 2.202 20 30 FEEDLO C[C@H](C(=O)N(C)C1CCCCC1)[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000248052268 328708330 /nfs/dbraw/zinc/70/83/30/328708330.db2.gz NQIUHSQHNNJPIT-MRXNPFEDSA-N 1 2 355.486 2.255 20 30 FEEDLO N#Cc1ccccc1N1CCN(C(=O)NCc2cn3c([nH+]2)CCCC3)CC1 ZINC000263797286 328963474 /nfs/dbraw/zinc/96/34/74/328963474.db2.gz PCZIOHVBYDLAOF-UHFFFAOYSA-N 1 2 364.453 2.123 20 30 FEEDLO Cc1cc(C#N)ccc1S(=O)(=O)N(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000265894876 329170374 /nfs/dbraw/zinc/17/03/74/329170374.db2.gz SQUTWIKYYAHRKJ-UHFFFAOYSA-N 1 2 372.372 2.446 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3cnn(CC(F)F)c3)CC2)cc1 ZINC000266768334 329258010 /nfs/dbraw/zinc/25/80/10/329258010.db2.gz RUZNMWXJIBUIPW-UHFFFAOYSA-N 1 2 374.395 2.370 20 30 FEEDLO CO[C@@H](C)c1noc(C[N@@H+]2CCCN(c3nc(C)cc(C)c3C#N)CC2)n1 ZINC000267400764 329323175 /nfs/dbraw/zinc/32/31/75/329323175.db2.gz PIUQWDZCVXSXJJ-HNNXBMFYSA-N 1 2 370.457 2.373 20 30 FEEDLO CO[C@@H](C)c1noc(C[N@H+]2CCCN(c3nc(C)cc(C)c3C#N)CC2)n1 ZINC000267400764 329323177 /nfs/dbraw/zinc/32/31/77/329323177.db2.gz PIUQWDZCVXSXJJ-HNNXBMFYSA-N 1 2 370.457 2.373 20 30 FEEDLO C[C@@H](Cn1cc[nH+]c1)NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000267576659 329339721 /nfs/dbraw/zinc/33/97/21/329339721.db2.gz JUXSUNXYKSCRBW-JTQLQIEISA-N 1 2 358.345 2.141 20 30 FEEDLO C[C@@H]1CN(c2ccc(CNc3nccc(C#N)c3[N+](=O)[O-])c[nH+]2)CCO1 ZINC000268445217 329420692 /nfs/dbraw/zinc/42/06/92/329420692.db2.gz DTIGMYXBTVFDJB-GFCCVEGCSA-N 1 2 354.370 2.094 20 30 FEEDLO Cc1cccc(S(=O)(=O)N(C)Cc2[nH+]ccn2CC(F)(F)F)c1C#N ZINC000269649401 329537195 /nfs/dbraw/zinc/53/71/95/329537195.db2.gz HGEWDQQREAIRNA-UHFFFAOYSA-N 1 2 372.372 2.446 20 30 FEEDLO N#Cc1ccc(N2CCC[C@H](c3n[nH]cc3C[NH+]3CCOCC3)C2)cc1 ZINC000275736672 330082934 /nfs/dbraw/zinc/08/29/34/330082934.db2.gz VAXMDWMFVYOQIW-KRWDZBQOSA-N 1 2 351.454 2.498 20 30 FEEDLO C[C@H]1C[N@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)CC2(CCOCC2)O1 ZINC000279070266 330172411 /nfs/dbraw/zinc/17/24/11/330172411.db2.gz JXOUOXFHBVWGBJ-ZDUSSCGKSA-N 1 2 363.845 2.420 20 30 FEEDLO C[C@H]1C[N@@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)CC2(CCOCC2)O1 ZINC000279070266 330172412 /nfs/dbraw/zinc/17/24/12/330172412.db2.gz JXOUOXFHBVWGBJ-ZDUSSCGKSA-N 1 2 363.845 2.420 20 30 FEEDLO Cc1cccn2c(=O)cc(C[N@@H+]3CCO[C@H](c4cccc(C#N)c4)C3)nc12 ZINC000367128706 330220377 /nfs/dbraw/zinc/22/03/77/330220377.db2.gz FWTLSBZTWRJMBH-IBGZPJMESA-N 1 2 360.417 2.448 20 30 FEEDLO Cc1cccn2c(=O)cc(C[N@H+]3CCO[C@H](c4cccc(C#N)c4)C3)nc12 ZINC000367128706 330220378 /nfs/dbraw/zinc/22/03/78/330220378.db2.gz FWTLSBZTWRJMBH-IBGZPJMESA-N 1 2 360.417 2.448 20 30 FEEDLO CN(C(=O)CSCc1ccc(C#N)cc1)C(C)(C)C[NH+]1CCOCC1 ZINC000414052676 330257733 /nfs/dbraw/zinc/25/77/33/330257733.db2.gz QPYCBGLLERHUHH-UHFFFAOYSA-N 1 2 361.511 2.361 20 30 FEEDLO N#Cc1ccc(OC[C@@H](O)C[NH+]2CCN(c3ncccc3Cl)CC2)cc1 ZINC000155930316 545584411 /nfs/dbraw/zinc/58/44/11/545584411.db2.gz MLTCDIIKOLLFPD-INIZCTEOSA-N 1 2 372.856 2.169 20 30 FEEDLO Cc1ccc(OCCC(=O)N(CCC#N)CC[NH+]2CCOCC2)c(C)c1 ZINC000478219727 561162402 /nfs/dbraw/zinc/16/24/02/561162402.db2.gz JZDUJOOQUXAZQH-UHFFFAOYSA-N 1 2 359.470 2.147 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1Cl ZINC000159371538 545947812 /nfs/dbraw/zinc/94/78/12/545947812.db2.gz HBWSLBDZGDOKEF-ZDUSSCGKSA-N 1 2 362.842 2.164 20 30 FEEDLO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(CC#Cc2ccc(F)cc2)CC1 ZINC000159837310 545985428 /nfs/dbraw/zinc/98/54/28/545985428.db2.gz PVMDKODDTVYTMY-KRWDZBQOSA-N 1 2 357.473 2.242 20 30 FEEDLO Cc1cc(N2CC[C@@H](O[NH+]=C(N)Cc3ccc(Cl)cc3)C2=O)n(C)n1 ZINC000174145902 546292463 /nfs/dbraw/zinc/29/24/63/546292463.db2.gz CTZHBCWVNNHHQM-CQSZACIVSA-N 1 2 361.833 2.019 20 30 FEEDLO Cc1ccc(CNC(=O)C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)cc1 ZINC000174579071 546298988 /nfs/dbraw/zinc/29/89/88/546298988.db2.gz MPPNSMCDRUQJNU-OAQYLSRUSA-N 1 2 362.477 2.494 20 30 FEEDLO N#Cc1cc(F)ccc1NC(=O)C(=O)NCCCCNc1cccc[nH+]1 ZINC000175992668 546386505 /nfs/dbraw/zinc/38/65/05/546386505.db2.gz PYDWVBYEOQBGTI-UHFFFAOYSA-N 1 2 355.373 2.039 20 30 FEEDLO O=C(CN1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)CC1)N1CCCC1 ZINC000177015302 546523896 /nfs/dbraw/zinc/52/38/96/546523896.db2.gz VSXZAQXPTHMSJU-UHFFFAOYSA-N 1 2 359.901 2.322 20 30 FEEDLO O=C(CN1CCC[N@H+](CC#Cc2ccc(Cl)cc2)CC1)N1CCCC1 ZINC000177015302 546523901 /nfs/dbraw/zinc/52/39/01/546523901.db2.gz VSXZAQXPTHMSJU-UHFFFAOYSA-N 1 2 359.901 2.322 20 30 FEEDLO CNC(=O)Cc1nc(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)cs1 ZINC000481764296 561241297 /nfs/dbraw/zinc/24/12/97/561241297.db2.gz PUXLTZPFFQVVAK-UHFFFAOYSA-N 1 2 370.478 2.347 20 30 FEEDLO CC[N@H+](CC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1ccc(C#N)o1 ZINC000179572739 546978781 /nfs/dbraw/zinc/97/87/81/546978781.db2.gz CZWBVKZVHLVKHE-UHFFFAOYSA-N 1 2 368.437 2.448 20 30 FEEDLO CC[N@@H+](CC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1ccc(C#N)o1 ZINC000179572739 546978787 /nfs/dbraw/zinc/97/87/87/546978787.db2.gz CZWBVKZVHLVKHE-UHFFFAOYSA-N 1 2 368.437 2.448 20 30 FEEDLO CCOC(=O)N1CC[NH+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000179868874 547023091 /nfs/dbraw/zinc/02/30/91/547023091.db2.gz PSPLBJJHSGYYEJ-UHFFFAOYSA-N 1 2 353.426 2.233 20 30 FEEDLO Cc1ccc(C#N)cc1S(=O)(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000180156203 547059596 /nfs/dbraw/zinc/05/95/96/547059596.db2.gz WCGAISIHEJGDTE-UHFFFAOYSA-N 1 2 371.462 2.500 20 30 FEEDLO COc1cnc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000483051837 561265989 /nfs/dbraw/zinc/26/59/89/561265989.db2.gz ZTNIBGGBDYLYDJ-UHFFFAOYSA-N 1 2 357.439 2.373 20 30 FEEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCc3ccc(Cl)cc3C2)CC1 ZINC000181164175 547261886 /nfs/dbraw/zinc/26/18/86/547261886.db2.gz ZATDMWGZUPMMCF-LJQANCHMSA-N 1 2 374.916 2.390 20 30 FEEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CCc3ccc(Cl)cc3C2)CC1 ZINC000181164175 547261889 /nfs/dbraw/zinc/26/18/89/547261889.db2.gz ZATDMWGZUPMMCF-LJQANCHMSA-N 1 2 374.916 2.390 20 30 FEEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1CCC(=O)c1ccc(F)cc1 ZINC000182453862 547496597 /nfs/dbraw/zinc/49/65/97/547496597.db2.gz YJRIEAFJSSLCGJ-AWEZNQCLSA-N 1 2 353.401 2.271 20 30 FEEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1CCC(=O)c1ccc(F)cc1 ZINC000182453862 547496603 /nfs/dbraw/zinc/49/66/03/547496603.db2.gz YJRIEAFJSSLCGJ-AWEZNQCLSA-N 1 2 353.401 2.271 20 30 FEEDLO N#CCC[N@@H+](CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)CC1CC1 ZINC000183183832 547616901 /nfs/dbraw/zinc/61/69/01/547616901.db2.gz YWBHGJXCRYBDSH-KRWDZBQOSA-N 1 2 371.510 2.083 20 30 FEEDLO N#CCC[N@H+](CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)CC1CC1 ZINC000183183832 547616905 /nfs/dbraw/zinc/61/69/05/547616905.db2.gz YWBHGJXCRYBDSH-KRWDZBQOSA-N 1 2 371.510 2.083 20 30 FEEDLO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000183424780 547656774 /nfs/dbraw/zinc/65/67/74/547656774.db2.gz JANGWAJOYBIDQI-UHFFFAOYSA-N 1 2 368.393 2.376 20 30 FEEDLO N#Cc1cccnc1-n1cc(NC(=O)NCc2ccn3cc[nH+]c3c2)cn1 ZINC000184626803 547856431 /nfs/dbraw/zinc/85/64/31/547856431.db2.gz HKYUAGGOCOMOAH-UHFFFAOYSA-N 1 2 358.365 2.108 20 30 FEEDLO CCc1nc([C@H](C)[NH2+]CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)cs1 ZINC000184722630 547870734 /nfs/dbraw/zinc/87/07/34/547870734.db2.gz QRPKHVUJNIZKJJ-HOCLYGCPSA-N 1 2 363.531 2.048 20 30 FEEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCN(c2ccc3ccccc3n2)CC1 ZINC000485125715 561313250 /nfs/dbraw/zinc/31/32/50/561313250.db2.gz UEWJZFSAGYHERY-KRWDZBQOSA-N 1 2 365.481 2.365 20 30 FEEDLO CCN(CCC#N)C(=O)C[NH2+][C@@H](C)c1nc(-c2cccc(OC)c2)no1 ZINC000185133824 547938940 /nfs/dbraw/zinc/93/89/40/547938940.db2.gz KUEXJUDDBJEPMV-ZDUSSCGKSA-N 1 2 357.414 2.158 20 30 FEEDLO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCO[C@@]3(CCOC3)C2)cc1C ZINC000185183255 547947467 /nfs/dbraw/zinc/94/74/67/547947467.db2.gz KOLGSOXTMVSXLC-FQEVSTJZSA-N 1 2 357.454 2.041 20 30 FEEDLO Cc1ccc(N(CCC#N)C(=O)C[N@H+]2CCO[C@@]3(CCOC3)C2)cc1C ZINC000185183255 547947472 /nfs/dbraw/zinc/94/74/72/547947472.db2.gz KOLGSOXTMVSXLC-FQEVSTJZSA-N 1 2 357.454 2.041 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@@H](C)c1nc(Cc2ccccc2)no1 ZINC000185377500 547976604 /nfs/dbraw/zinc/97/66/04/547976604.db2.gz ZHYPXGTXOXAXAT-LIRRHRJNSA-N 1 2 355.442 2.365 20 30 FEEDLO C[C@@H]([NH2+]CC(=O)N[C@](C)(C#N)C1CC1)c1nc(Cc2ccccc2)no1 ZINC000185383712 547977625 /nfs/dbraw/zinc/97/76/25/547977625.db2.gz YSJKMPYTFQOJOK-BFUOFWGJSA-N 1 2 353.426 2.119 20 30 FEEDLO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H](C)c1nc(Cc2ccccc2)no1 ZINC000185416007 547982098 /nfs/dbraw/zinc/98/20/98/547982098.db2.gz JODFVZIFBMWRJS-CABCVRRESA-N 1 2 355.442 2.319 20 30 FEEDLO C[NH+](C)Cc1ccnc(NS(=O)(=O)c2ccc(C#N)cc2Cl)c1 ZINC000186598960 548156966 /nfs/dbraw/zinc/15/69/66/548156966.db2.gz AMWCINGVMRWGIP-UHFFFAOYSA-N 1 2 350.831 2.469 20 30 FEEDLO C=CCn1c(=O)c2ccc(C(=O)N(C)CC[N@H+](C)C3CC3)cc2[nH]c1=S ZINC000186730801 548181435 /nfs/dbraw/zinc/18/14/35/548181435.db2.gz JXGDEXHHEQBASN-UHFFFAOYSA-N 1 2 372.494 2.037 20 30 FEEDLO C=CCn1c(=O)c2ccc(C(=O)N(C)CC[N@@H+](C)C3CC3)cc2[nH]c1=S ZINC000186730801 548181436 /nfs/dbraw/zinc/18/14/36/548181436.db2.gz JXGDEXHHEQBASN-UHFFFAOYSA-N 1 2 372.494 2.037 20 30 FEEDLO C=C(C)CS(=O)(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000189784557 548310400 /nfs/dbraw/zinc/31/04/00/548310400.db2.gz CIRWXIKINSPHRZ-HZPDHXFCSA-N 1 2 358.891 2.207 20 30 FEEDLO C=C(C)CS(=O)(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000189784557 548310404 /nfs/dbraw/zinc/31/04/04/548310404.db2.gz CIRWXIKINSPHRZ-HZPDHXFCSA-N 1 2 358.891 2.207 20 30 FEEDLO C=CCC[C@H](O)C[N@@H+]1CCNC(=O)[C@@H]1c1ccc(OC(F)(F)F)cc1 ZINC000190141137 548319400 /nfs/dbraw/zinc/31/94/00/548319400.db2.gz PPEGWOOTRNVLPC-ZFWWWQNUSA-N 1 2 358.360 2.385 20 30 FEEDLO C=CCC[C@H](O)C[N@H+]1CCNC(=O)[C@@H]1c1ccc(OC(F)(F)F)cc1 ZINC000190141137 548319404 /nfs/dbraw/zinc/31/94/04/548319404.db2.gz PPEGWOOTRNVLPC-ZFWWWQNUSA-N 1 2 358.360 2.385 20 30 FEEDLO C=CC[N@@H+](CCOC)CC(=O)N1c2ccccc2NC(=O)C12CCCC2 ZINC000191147609 548342036 /nfs/dbraw/zinc/34/20/36/548342036.db2.gz ZGXWATYZVAGFMZ-UHFFFAOYSA-N 1 2 357.454 2.419 20 30 FEEDLO C=CC[N@H+](CCOC)CC(=O)N1c2ccccc2NC(=O)C12CCCC2 ZINC000191147609 548342039 /nfs/dbraw/zinc/34/20/39/548342039.db2.gz ZGXWATYZVAGFMZ-UHFFFAOYSA-N 1 2 357.454 2.419 20 30 FEEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1c[nH+]ccc1OC ZINC000195043974 548568140 /nfs/dbraw/zinc/56/81/40/548568140.db2.gz ILLNKEKGHMERTQ-UHFFFAOYSA-N 1 2 352.394 2.339 20 30 FEEDLO CO[C@@H]1C[NH+](CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)C[C@H]1OC ZINC000487983541 561380696 /nfs/dbraw/zinc/38/06/96/561380696.db2.gz VUSBSIQMQHTASZ-IAGOWNOFSA-N 1 2 365.861 2.241 20 30 FEEDLO Cc1nc(N2CC[NH+](CC(=O)N[C@@H]3CCC[C@H](C)C3)CC2)ccc1C#N ZINC000488069963 561382804 /nfs/dbraw/zinc/38/28/04/561382804.db2.gz OMRAAJLCAIFAEO-MAUKXSAKSA-N 1 2 355.486 2.079 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)NCc2cccc(-n3cc[nH+]c3)c2)cc1F ZINC000489443262 561411418 /nfs/dbraw/zinc/41/14/18/561411418.db2.gz BZBSFEKDVREQIR-UHFFFAOYSA-N 1 2 356.382 2.362 20 30 FEEDLO C=CCOc1ccc(/C=C/C(=O)N(C)CC[NH+]2CCOCC2)cc1OC ZINC000263888502 549951515 /nfs/dbraw/zinc/95/15/15/549951515.db2.gz SUVABXPANAWLLC-SOFGYWHQSA-N 1 2 360.454 2.064 20 30 FEEDLO CC[N@@H+](CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1)C[C@@H]1CCCO1 ZINC000265137676 550006866 /nfs/dbraw/zinc/00/68/66/550006866.db2.gz PBSRJZQTGGZFAF-ZFWWWQNUSA-N 1 2 354.410 2.013 20 30 FEEDLO CC[N@H+](CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1)C[C@@H]1CCCO1 ZINC000265137676 550006869 /nfs/dbraw/zinc/00/68/69/550006869.db2.gz PBSRJZQTGGZFAF-ZFWWWQNUSA-N 1 2 354.410 2.013 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+](C)[C@@H]2CCN(C)C2=O)c1 ZINC000265658815 550013397 /nfs/dbraw/zinc/01/33/97/550013397.db2.gz RLRBWWMRIKKPKO-SJLPKXTDSA-N 1 2 356.470 2.101 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)[C@@H]2CCN(C)C2=O)c1 ZINC000265658815 550013399 /nfs/dbraw/zinc/01/33/99/550013399.db2.gz RLRBWWMRIKKPKO-SJLPKXTDSA-N 1 2 356.470 2.101 20 30 FEEDLO CC(C)CO[C@H](C)C(N)=[NH+]O[C@H](C)C(=O)N[C@H]1CCOc2ccccc21 ZINC000266216408 550018387 /nfs/dbraw/zinc/01/83/87/550018387.db2.gz PZYMMKXEYQLWER-FMKPAKJESA-N 1 2 363.458 2.365 20 30 FEEDLO N#CCOc1ccc(C[NH+]2CCN(C(=O)c3ccccc3O)CC2)cc1 ZINC000266961836 550025640 /nfs/dbraw/zinc/02/56/40/550025640.db2.gz WRXLLVUNHBXFJO-UHFFFAOYSA-N 1 2 351.406 2.253 20 30 FEEDLO C#CCC[NH+]1CCN(C(=O)CSCC(=O)c2ccc(Cl)cc2)CC1 ZINC000266984408 550026019 /nfs/dbraw/zinc/02/60/19/550026019.db2.gz GZDOGESQJWVGQW-UHFFFAOYSA-N 1 2 364.898 2.423 20 30 FEEDLO C=C(C)CN(CC)C(=O)CO[NH+]=C(N)c1cc(Cl)c(OC)c(OC)c1 ZINC000266992919 550026466 /nfs/dbraw/zinc/02/64/66/550026466.db2.gz CAFAHDSJPSCERO-UHFFFAOYSA-N 1 2 369.849 2.419 20 30 FEEDLO CCC[N@H+](CC(=O)Nc1ccccc1C)CC(=O)N(CCC#N)CCC#N ZINC000268184077 550037700 /nfs/dbraw/zinc/03/77/00/550037700.db2.gz CTYAAAXBDYVQBU-UHFFFAOYSA-N 1 2 369.469 2.301 20 30 FEEDLO CCC[N@@H+](CC(=O)Nc1ccccc1C)CC(=O)N(CCC#N)CCC#N ZINC000268184077 550037704 /nfs/dbraw/zinc/03/77/04/550037704.db2.gz CTYAAAXBDYVQBU-UHFFFAOYSA-N 1 2 369.469 2.301 20 30 FEEDLO Cc1nc2sccn2c1C[N@H+](C)CC(=O)NCc1ccc(C#N)cc1 ZINC000268483130 550074198 /nfs/dbraw/zinc/07/41/98/550074198.db2.gz LUYMINWDZXJISA-UHFFFAOYSA-N 1 2 353.451 2.324 20 30 FEEDLO Cc1nc2sccn2c1C[N@@H+](C)CC(=O)NCc1ccc(C#N)cc1 ZINC000268483130 550074200 /nfs/dbraw/zinc/07/42/00/550074200.db2.gz LUYMINWDZXJISA-UHFFFAOYSA-N 1 2 353.451 2.324 20 30 FEEDLO Cc1oc(NC(=O)C[N@H+](Cc2ccc(C(N)=O)cc2)C2CC2)c(C#N)c1C ZINC000269367070 550186094 /nfs/dbraw/zinc/18/60/94/550186094.db2.gz QXMUPHIHDFRKEA-UHFFFAOYSA-N 1 2 366.421 2.470 20 30 FEEDLO Cc1oc(NC(=O)C[N@@H+](Cc2ccc(C(N)=O)cc2)C2CC2)c(C#N)c1C ZINC000269367070 550186097 /nfs/dbraw/zinc/18/60/97/550186097.db2.gz QXMUPHIHDFRKEA-UHFFFAOYSA-N 1 2 366.421 2.470 20 30 FEEDLO N#CC1(c2ccc(C(=O)NCc3ccc(N4CCOCC4)[nH+]c3)cc2)CC1 ZINC000271924254 550411027 /nfs/dbraw/zinc/41/10/27/550411027.db2.gz FXGVTXSDSWWKJI-UHFFFAOYSA-N 1 2 362.433 2.403 20 30 FEEDLO Cc1cc(NC(=O)N2CC[NH+](Cc3cnc(C)s3)CC2)nn1CCC#N ZINC000272131901 550424368 /nfs/dbraw/zinc/42/43/68/550424368.db2.gz VBWOEBCLJNQEBP-UHFFFAOYSA-N 1 2 373.486 2.220 20 30 FEEDLO CC1(C#N)CC[NH+](CC(=O)Nc2sc3c(c2C(N)=O)CCCC3)CC1 ZINC000272589887 550459689 /nfs/dbraw/zinc/45/96/89/550459689.db2.gz PIKZUXQOUKLPMS-UHFFFAOYSA-N 1 2 360.483 2.290 20 30 FEEDLO C=CCSc1ccccc1NC(=O)C[N@@H+](CCCO)CC(OC)OC ZINC000272758446 550469230 /nfs/dbraw/zinc/46/92/30/550469230.db2.gz OODSTNWXIFOGPN-UHFFFAOYSA-N 1 2 368.499 2.207 20 30 FEEDLO C=CCSc1ccccc1NC(=O)C[N@H+](CCCO)CC(OC)OC ZINC000272758446 550469231 /nfs/dbraw/zinc/46/92/31/550469231.db2.gz OODSTNWXIFOGPN-UHFFFAOYSA-N 1 2 368.499 2.207 20 30 FEEDLO COc1cc(OC)cc([C@H](NC(=O)NCCCC#N)c2[nH+]ccn2C)c1 ZINC000273568617 550503502 /nfs/dbraw/zinc/50/35/02/550503502.db2.gz OBUZHLJPGNIDCZ-INIZCTEOSA-N 1 2 357.414 2.130 20 30 FEEDLO C=CCc1cc(C[NH+]2CCN(c3ncc(F)cn3)CC2)cc(OC)c1O ZINC000273792689 550511624 /nfs/dbraw/zinc/51/16/24/550511624.db2.gz VOYUDSZXUHYLOG-UHFFFAOYSA-N 1 2 358.417 2.381 20 30 FEEDLO N#Cc1ccc(Cl)c(S(=O)(=O)NCc2cn3c([nH+]2)CCCC3)c1 ZINC000274647115 550547633 /nfs/dbraw/zinc/54/76/33/550547633.db2.gz GNKXOBZUHMFQED-UHFFFAOYSA-N 1 2 350.831 2.223 20 30 FEEDLO C[NH+](C)C1(C#N)CCN(C(=O)NC2CCN(c3ccccc3)CC2)CC1 ZINC000274898467 550563336 /nfs/dbraw/zinc/56/33/36/550563336.db2.gz CWRJTDDZSAQBAP-UHFFFAOYSA-N 1 2 355.486 2.285 20 30 FEEDLO C[NH+](C)C1(C#N)CCN(C(=O)N[C@@H]2CCCN(c3ccccc3)C2)CC1 ZINC000274896208 550563384 /nfs/dbraw/zinc/56/33/84/550563384.db2.gz CFMXZDMEDQIINS-QGZVFWFLSA-N 1 2 355.486 2.285 20 30 FEEDLO C[C@@H](c1nnnn1C1CC1)[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000276936377 550612995 /nfs/dbraw/zinc/61/29/95/550612995.db2.gz JMDUORWIEVCGRG-ZDUSSCGKSA-N 1 2 365.441 2.291 20 30 FEEDLO CC(C)[NH+]1CCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)CC1 ZINC000279062187 550852131 /nfs/dbraw/zinc/85/21/31/550852131.db2.gz KXRMGMGCQFMNEA-UHFFFAOYSA-N 1 2 372.288 2.035 20 30 FEEDLO C=CC[N@@H+](C[C@@H](O)Cc1ccc2ccccc2c1)[C@H]1CCS(=O)(=O)C1 ZINC000279688786 550917047 /nfs/dbraw/zinc/91/70/47/550917047.db2.gz HSHDGVKMGSMOQZ-PMACEKPBSA-N 1 2 359.491 2.418 20 30 FEEDLO C=CC[N@H+](C[C@@H](O)Cc1ccc2ccccc2c1)[C@H]1CCS(=O)(=O)C1 ZINC000279688786 550917049 /nfs/dbraw/zinc/91/70/49/550917049.db2.gz HSHDGVKMGSMOQZ-PMACEKPBSA-N 1 2 359.491 2.418 20 30 FEEDLO C#CCn1ccc(C[N@@H+](CC)[C@@H](C)C(=O)N2CCc3ccccc3C2)n1 ZINC000279718366 550920774 /nfs/dbraw/zinc/92/07/74/550920774.db2.gz LJUBAUJPUJTCLW-KRWDZBQOSA-N 1 2 350.466 2.312 20 30 FEEDLO C#CCn1ccc(C[N@H+](CC)[C@@H](C)C(=O)N2CCc3ccccc3C2)n1 ZINC000279718366 550920775 /nfs/dbraw/zinc/92/07/75/550920775.db2.gz LJUBAUJPUJTCLW-KRWDZBQOSA-N 1 2 350.466 2.312 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1cc(C2CC2)cnc1Cl ZINC000279851804 550935751 /nfs/dbraw/zinc/93/57/51/550935751.db2.gz RWTIBVKATYXUKZ-UHFFFAOYSA-N 1 2 362.861 2.300 20 30 FEEDLO Cc1ccc(N(CCC#N)C(=O)C[N@H+]2C[C@@H](C)O[C@]3(CCOC3)C2)cc1C ZINC000280235331 550973573 /nfs/dbraw/zinc/97/35/73/550973573.db2.gz AQILTAVZXJBTOZ-WIYYLYMNSA-N 1 2 371.481 2.430 20 30 FEEDLO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2C[C@@H](C)O[C@]3(CCOC3)C2)cc1C ZINC000280235331 550973574 /nfs/dbraw/zinc/97/35/74/550973574.db2.gz AQILTAVZXJBTOZ-WIYYLYMNSA-N 1 2 371.481 2.430 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N(C)Cc2ccc(SC)cc2)C1=O ZINC000281206512 551074062 /nfs/dbraw/zinc/07/40/62/551074062.db2.gz CVGCDXHQCRBSQS-KRWDZBQOSA-N 1 2 361.511 2.086 20 30 FEEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N(C)Cc2ccc(SC)cc2)C1=O ZINC000281206512 551074064 /nfs/dbraw/zinc/07/40/64/551074064.db2.gz CVGCDXHQCRBSQS-KRWDZBQOSA-N 1 2 361.511 2.086 20 30 FEEDLO C=CC[C@H](CC)NC(=O)C(=O)Nc1ccc(C[NH+]2CCN(CC)CC2)cc1 ZINC000281522498 551108531 /nfs/dbraw/zinc/10/85/31/551108531.db2.gz SMBLUSRAIUUWMT-SFHVURJKSA-N 1 2 372.513 2.234 20 30 FEEDLO N#CC1CCC(CNC(=O)NCc2cc[nH+]c(N3CCOCC3)c2)CC1 ZINC000282017648 551170080 /nfs/dbraw/zinc/17/00/80/551170080.db2.gz YLXJALFAQLJCBX-UHFFFAOYSA-N 1 2 357.458 2.047 20 30 FEEDLO CS(=O)(=O)N1CCC([N@@H+](Cc2cccc(C#N)c2)CC(F)F)CC1 ZINC000282524708 551241874 /nfs/dbraw/zinc/24/18/74/551241874.db2.gz UHCWZOPKDWWTJR-UHFFFAOYSA-N 1 2 357.426 2.049 20 30 FEEDLO CS(=O)(=O)N1CCC([N@H+](Cc2cccc(C#N)c2)CC(F)F)CC1 ZINC000282524708 551241876 /nfs/dbraw/zinc/24/18/76/551241876.db2.gz UHCWZOPKDWWTJR-UHFFFAOYSA-N 1 2 357.426 2.049 20 30 FEEDLO C[C@H]1CN(c2ccc(CNc3cc(N)c([N+](=O)[O-])c(C#N)c3)c[nH+]2)CCO1 ZINC000283503427 551377681 /nfs/dbraw/zinc/37/76/81/551377681.db2.gz IWKNESINNKUMRI-LBPRGKRZSA-N 1 2 368.397 2.281 20 30 FEEDLO C=C(C)Cn1c(-c2ccc[nH]2)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC000283702466 551412347 /nfs/dbraw/zinc/41/23/47/551412347.db2.gz VLAVZXGEQFOPRG-UHFFFAOYSA-N 1 2 367.457 2.468 20 30 FEEDLO COCC[NH+]1CCN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)CC1 ZINC000498470293 561525024 /nfs/dbraw/zinc/52/50/24/561525024.db2.gz MOQBOSBTWONDJE-UHFFFAOYSA-N 1 2 366.421 2.150 20 30 FEEDLO Cc1onc(CC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)c1C#N ZINC000498561279 561528408 /nfs/dbraw/zinc/52/84/08/561528408.db2.gz DZZDOBTVWOJYTJ-CRAIPNDOSA-N 1 2 360.364 2.237 20 30 FEEDLO Cc1onc(CC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)c1C#N ZINC000498561279 561528409 /nfs/dbraw/zinc/52/84/09/561528409.db2.gz DZZDOBTVWOJYTJ-CRAIPNDOSA-N 1 2 360.364 2.237 20 30 FEEDLO N#Cc1ccc(N2CC[C@H]([N@H+]3CC[C@@H](C(F)(F)F)[C@H](CO)C3)C2=O)cc1 ZINC000286631059 551908658 /nfs/dbraw/zinc/90/86/58/551908658.db2.gz SNUINIVEOFNEKI-IMJJTQAJSA-N 1 2 367.371 2.156 20 30 FEEDLO N#Cc1ccc(N2CC[C@H]([N@@H+]3CC[C@@H](C(F)(F)F)[C@H](CO)C3)C2=O)cc1 ZINC000286631059 551908659 /nfs/dbraw/zinc/90/86/59/551908659.db2.gz SNUINIVEOFNEKI-IMJJTQAJSA-N 1 2 367.371 2.156 20 30 FEEDLO C#CCC(CC#C)C(=O)N1CC[NH+](Cc2c(C)nc3cc(C)ccn32)CC1 ZINC000287068801 551959495 /nfs/dbraw/zinc/95/94/95/551959495.db2.gz LEIYTODXZUVZJY-UHFFFAOYSA-N 1 2 362.477 2.258 20 30 FEEDLO C#CCC(CC#C)C(=O)N1CCN(Cc2c(C)[nH+]c3cc(C)ccn32)CC1 ZINC000287068801 551959496 /nfs/dbraw/zinc/95/94/96/551959496.db2.gz LEIYTODXZUVZJY-UHFFFAOYSA-N 1 2 362.477 2.258 20 30 FEEDLO C#CCOc1ccc(F)cc1NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000287140117 551968670 /nfs/dbraw/zinc/96/86/70/551968670.db2.gz NRKWJEQFKINOMS-HOCLYGCPSA-N 1 2 361.417 2.165 20 30 FEEDLO N#Cc1ccc(N2CC[C@H](C(=O)NCc3cn4ccccc4[nH+]3)C2)c(F)c1 ZINC000288101039 552091199 /nfs/dbraw/zinc/09/11/99/552091199.db2.gz ARLRLKKYKCNTNH-HNNXBMFYSA-N 1 2 363.396 2.488 20 30 FEEDLO C=CCN(CCc1ccccc1)C(=O)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000499634597 561555028 /nfs/dbraw/zinc/55/50/28/561555028.db2.gz GWJPOKNWLLSBGH-UHFFFAOYSA-N 1 2 362.433 2.208 20 30 FEEDLO CC(=O)NC(C)(C)C(N)=[NH+]OCc1ccc(Br)cc1C#N ZINC000288663306 552194406 /nfs/dbraw/zinc/19/44/06/552194406.db2.gz RPFWHIXHGTZHRW-UHFFFAOYSA-N 1 2 353.220 2.024 20 30 FEEDLO O=c1nc([C@@H]2CCC[N@H+](CC#Cc3ccc(OC(F)(F)F)cc3)C2)[nH][nH]1 ZINC000289458438 552324701 /nfs/dbraw/zinc/32/47/01/552324701.db2.gz PVGCTHCWNAKWBX-CYBMUJFWSA-N 1 2 366.343 2.228 20 30 FEEDLO Cc1ccc(NS(=O)(=O)c2cncc(C#N)c2)c(OCC[NH+](C)C)c1 ZINC000290937272 552565116 /nfs/dbraw/zinc/56/51/16/552565116.db2.gz KTKPCLARPQVIIP-UHFFFAOYSA-N 1 2 360.439 2.003 20 30 FEEDLO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000292227224 552706425 /nfs/dbraw/zinc/70/64/25/552706425.db2.gz PHZWPUNCYZOTFP-GOSISDBHSA-N 1 2 366.421 2.444 20 30 FEEDLO CCOc1ccc(NC(=O)C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000292227224 552706426 /nfs/dbraw/zinc/70/64/26/552706426.db2.gz PHZWPUNCYZOTFP-GOSISDBHSA-N 1 2 366.421 2.444 20 30 FEEDLO Cc1ccccc1-n1cc(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)nn1 ZINC000292810035 552760811 /nfs/dbraw/zinc/76/08/11/552760811.db2.gz ONCFETQRDVWKAU-SFHVURJKSA-N 1 2 360.421 2.496 20 30 FEEDLO Cc1ccccc1-n1cc(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)nn1 ZINC000292810035 552760813 /nfs/dbraw/zinc/76/08/13/552760813.db2.gz ONCFETQRDVWKAU-SFHVURJKSA-N 1 2 360.421 2.496 20 30 FEEDLO C=CCC(F)(F)C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000293199208 552798253 /nfs/dbraw/zinc/79/82/53/552798253.db2.gz WWPGFVYYSBZQHO-UHFFFAOYSA-N 1 2 351.397 2.417 20 30 FEEDLO C=CC[N@@H+](Cc1ccc(C(=O)OC)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000294874306 552940477 /nfs/dbraw/zinc/94/04/77/552940477.db2.gz FIDJUEJQEMBDGF-ZDUSSCGKSA-N 1 2 357.859 2.302 20 30 FEEDLO C=CC[N@H+](Cc1ccc(C(=O)OC)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000294874306 552940478 /nfs/dbraw/zinc/94/04/78/552940478.db2.gz FIDJUEJQEMBDGF-ZDUSSCGKSA-N 1 2 357.859 2.302 20 30 FEEDLO COC[C@@]1(C(=O)OC)CC[N@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000295103047 552959220 /nfs/dbraw/zinc/95/92/20/552959220.db2.gz GRJBOHCRRJVLJW-MRXNPFEDSA-N 1 2 367.243 2.332 20 30 FEEDLO COC[C@@]1(C(=O)OC)CC[N@@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000295103047 552959221 /nfs/dbraw/zinc/95/92/21/552959221.db2.gz GRJBOHCRRJVLJW-MRXNPFEDSA-N 1 2 367.243 2.332 20 30 FEEDLO N#Cc1ccc(Br)c(C[N@@H+]2CCC[C@@H](c3n[nH]c(=O)o3)C2)c1 ZINC000295356578 552992757 /nfs/dbraw/zinc/99/27/57/552992757.db2.gz OFIGQOVTAZSMKL-LLVKDONJSA-N 1 2 363.215 2.377 20 30 FEEDLO N#Cc1ccc(Br)c(C[N@H+]2CCC[C@@H](c3n[nH]c(=O)o3)C2)c1 ZINC000295356578 552992761 /nfs/dbraw/zinc/99/27/61/552992761.db2.gz OFIGQOVTAZSMKL-LLVKDONJSA-N 1 2 363.215 2.377 20 30 FEEDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)C(=O)Nc2ccc(C#N)cc2Cl)CC1(C)C ZINC000296328647 553142170 /nfs/dbraw/zinc/14/21/70/553142170.db2.gz XOVPTDGJWAGDCQ-AWEZNQCLSA-N 1 2 371.828 2.493 20 30 FEEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CC[C@H](OC(=O)N(C)C)C2)cc1 ZINC000296590656 553183925 /nfs/dbraw/zinc/18/39/25/553183925.db2.gz FLSSKBDCISOUCX-WMZOPIPTSA-N 1 2 372.469 2.403 20 30 FEEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CC[C@H](OC(=O)N(C)C)C2)cc1 ZINC000296590656 553183926 /nfs/dbraw/zinc/18/39/26/553183926.db2.gz FLSSKBDCISOUCX-WMZOPIPTSA-N 1 2 372.469 2.403 20 30 FEEDLO C[C@H]1C[NH+]=C(N2CCN(c3ncc(Br)cc3C#N)CC2)S1 ZINC000297280655 553272771 /nfs/dbraw/zinc/27/27/71/553272771.db2.gz XHQBEVXTNJIMKW-JTQLQIEISA-N 1 2 366.288 2.329 20 30 FEEDLO C=CC[N@H+](Cc1ccccc1)[C@H](C)C(=O)N(CC)[C@@H]1CCS(=O)(=O)C1 ZINC000298291311 553408726 /nfs/dbraw/zinc/40/87/26/553408726.db2.gz HHZLWCISSBCQOV-SJLPKXTDSA-N 1 2 364.511 2.099 20 30 FEEDLO C=CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)N(CC)[C@@H]1CCS(=O)(=O)C1 ZINC000298291311 553408729 /nfs/dbraw/zinc/40/87/29/553408729.db2.gz HHZLWCISSBCQOV-SJLPKXTDSA-N 1 2 364.511 2.099 20 30 FEEDLO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[NH2+][C@]3(C)CCOC3=O)sc2C1 ZINC000298488821 553431296 /nfs/dbraw/zinc/43/12/96/553431296.db2.gz JLVNMTYXOYHKDR-ADLMAVQZSA-N 1 2 361.467 2.368 20 30 FEEDLO N#Cc1cccnc1N1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000298740189 553466731 /nfs/dbraw/zinc/46/67/31/553466731.db2.gz RFXXBDQJVGPDRX-UHFFFAOYSA-N 1 2 353.382 2.062 20 30 FEEDLO C[C@@H](C(=O)N1CCc2ccccc21)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000299000456 553501569 /nfs/dbraw/zinc/50/15/69/553501569.db2.gz ASFNTJOYWWPMGF-INIZCTEOSA-N 1 2 361.449 2.053 20 30 FEEDLO C[C@@H](O)CNc1cc(N2CCN(c3ccc(C#N)cc3Cl)CC2)nc[nH+]1 ZINC000299041848 553507455 /nfs/dbraw/zinc/50/74/55/553507455.db2.gz UGVCQZQTLIGXQV-CYBMUJFWSA-N 1 2 372.860 2.121 20 30 FEEDLO C[C@@H](O)CNc1cc(N2CCN(c3ccc(C#N)cc3Cl)CC2)[nH+]cn1 ZINC000299041848 553507456 /nfs/dbraw/zinc/50/74/56/553507456.db2.gz UGVCQZQTLIGXQV-CYBMUJFWSA-N 1 2 372.860 2.121 20 30 FEEDLO CC(C)Oc1cccc(CC(=O)N(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000299489602 553570684 /nfs/dbraw/zinc/57/06/84/553570684.db2.gz CENCYMBAKIIOIG-UHFFFAOYSA-N 1 2 359.470 2.091 20 30 FEEDLO N#Cc1cc(NC[C@@H]2C[N@@H+](C3CC3)CCO2)nc2ccc([N+](=O)[O-])cc12 ZINC000301392292 553648124 /nfs/dbraw/zinc/64/81/24/553648124.db2.gz HXJBLHZORIGUSI-OAHLLOKOSA-N 1 2 353.382 2.290 20 30 FEEDLO N#Cc1cc(NC[C@@H]2C[N@H+](C3CC3)CCO2)nc2ccc([N+](=O)[O-])cc12 ZINC000301392292 553648126 /nfs/dbraw/zinc/64/81/26/553648126.db2.gz HXJBLHZORIGUSI-OAHLLOKOSA-N 1 2 353.382 2.290 20 30 FEEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+](C)Cc1cnc(N(C)C)nc1 ZINC000505481844 561671850 /nfs/dbraw/zinc/67/18/50/561671850.db2.gz XJJCVMPMQBQKKY-MRXNPFEDSA-N 1 2 366.469 2.310 20 30 FEEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)Cc1cnc(N(C)C)nc1 ZINC000505481844 561671851 /nfs/dbraw/zinc/67/18/51/561671851.db2.gz XJJCVMPMQBQKKY-MRXNPFEDSA-N 1 2 366.469 2.310 20 30 FEEDLO C=CCc1cc(CNc2nc3c(cnn3C)c(N)[nH+]2)cc(OC)c1OC ZINC000302872083 553738287 /nfs/dbraw/zinc/73/82/87/553738287.db2.gz CFOGWQWILQLONN-UHFFFAOYSA-N 1 2 354.414 2.303 20 30 FEEDLO CC(C)(C)n1ncnc1CN1CC[NH+](CC(=O)NC2CCCCC2)CC1 ZINC000328708256 553810738 /nfs/dbraw/zinc/81/07/38/553810738.db2.gz ZTPHMSFTNXAQGZ-UHFFFAOYSA-N 1 2 362.522 2.440 20 30 FEEDLO C[N@@H+]1CCO[C@H](CN(CC2CC2)C(=O)N[C@@H]2CCCC23CCOCC3)C1 ZINC000328722092 553812722 /nfs/dbraw/zinc/81/27/22/553812722.db2.gz RQFNXBIAOGJEIF-ZWKOTPCHSA-N 1 2 365.518 2.292 20 30 FEEDLO C[N@H+]1CCO[C@H](CN(CC2CC2)C(=O)N[C@@H]2CCCC23CCOCC3)C1 ZINC000328722092 553812725 /nfs/dbraw/zinc/81/27/25/553812725.db2.gz RQFNXBIAOGJEIF-ZWKOTPCHSA-N 1 2 365.518 2.292 20 30 FEEDLO O=C(N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCSCC1)C1CCCCC1 ZINC000328795504 553823678 /nfs/dbraw/zinc/82/36/78/553823678.db2.gz UDDDRADZDXHXEZ-OAHLLOKOSA-N 1 2 350.488 2.433 20 30 FEEDLO O=C(N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCSCC1)C1CCCCC1 ZINC000328795504 553823680 /nfs/dbraw/zinc/82/36/80/553823680.db2.gz UDDDRADZDXHXEZ-OAHLLOKOSA-N 1 2 350.488 2.433 20 30 FEEDLO O=C(NCc1ccc(N2CCOCC2)[nH+]c1)c1coc(C2CCOCC2)n1 ZINC000328831552 553829554 /nfs/dbraw/zinc/82/95/54/553829554.db2.gz VHLAGPABQYQCQY-UHFFFAOYSA-N 1 2 372.425 2.305 20 30 FEEDLO CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000328836587 553830013 /nfs/dbraw/zinc/83/00/13/553830013.db2.gz SQLVXJDYBNSPNO-HUUCEWRRSA-N 1 2 368.503 2.230 20 30 FEEDLO C[N@@H+]1CC[C@H](NC(=O)N2CC[C@H](CCO)C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000328952350 553852063 /nfs/dbraw/zinc/85/20/63/553852063.db2.gz NUHZAADFBVYMNX-DQYPLSBCSA-N 1 2 353.413 2.328 20 30 FEEDLO C[N@H+]1CC[C@H](NC(=O)N2CC[C@H](CCO)C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000328952350 553852064 /nfs/dbraw/zinc/85/20/64/553852064.db2.gz NUHZAADFBVYMNX-DQYPLSBCSA-N 1 2 353.413 2.328 20 30 FEEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+](C)Cc1cnc(N(C)C)nc1 ZINC000506027978 561687614 /nfs/dbraw/zinc/68/76/14/561687614.db2.gz PXNICIUOWAXJQT-LFDOHDQPSA-N 1 2 372.517 2.294 20 30 FEEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+](C)Cc1cnc(N(C)C)nc1 ZINC000506027978 561687616 /nfs/dbraw/zinc/68/76/16/561687616.db2.gz PXNICIUOWAXJQT-LFDOHDQPSA-N 1 2 372.517 2.294 20 30 FEEDLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CCC(NC(=O)c2ccccc2C)CC1 ZINC000329000092 553862213 /nfs/dbraw/zinc/86/22/13/553862213.db2.gz HJNATKNQWQWAMY-GOSISDBHSA-N 1 2 359.470 2.011 20 30 FEEDLO CC[N@H+]1CCOC[C@@H]1C(=O)N1CCC(NC(=O)c2ccccc2C)CC1 ZINC000329000092 553862214 /nfs/dbraw/zinc/86/22/14/553862214.db2.gz HJNATKNQWQWAMY-GOSISDBHSA-N 1 2 359.470 2.011 20 30 FEEDLO CC[N@@H+]1CCOC[C@H]1C(=O)N1CCC(NC(=O)c2ccccc2C)CC1 ZINC000329000095 553862217 /nfs/dbraw/zinc/86/22/17/553862217.db2.gz HJNATKNQWQWAMY-SFHVURJKSA-N 1 2 359.470 2.011 20 30 FEEDLO CC[N@H+]1CCOC[C@H]1C(=O)N1CCC(NC(=O)c2ccccc2C)CC1 ZINC000329000095 553862218 /nfs/dbraw/zinc/86/22/18/553862218.db2.gz HJNATKNQWQWAMY-SFHVURJKSA-N 1 2 359.470 2.011 20 30 FEEDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)COc2ccsc2Cl)CC1 ZINC000329005286 553862655 /nfs/dbraw/zinc/86/26/55/553862655.db2.gz MNZYFOQCWOEDMY-UHFFFAOYSA-N 1 2 359.879 2.291 20 30 FEEDLO CCNC(=O)C[N@H+]1CCCN(C(=O)COc2ccsc2Cl)CC1 ZINC000329005286 553862657 /nfs/dbraw/zinc/86/26/57/553862657.db2.gz MNZYFOQCWOEDMY-UHFFFAOYSA-N 1 2 359.879 2.291 20 30 FEEDLO CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000329031434 553867829 /nfs/dbraw/zinc/86/78/29/553867829.db2.gz PTSOXTBBPXXBRH-QKPAOTATSA-N 1 2 350.463 2.046 20 30 FEEDLO Cn1c[nH+]cc1[C@H]1[C@H](NC(=O)[C@@H]2CCCOCC2)CCC(=O)N1C1CC1 ZINC000329046860 553871191 /nfs/dbraw/zinc/87/11/91/553871191.db2.gz VGVDXLLPTILWKR-DDUZABMNSA-N 1 2 360.458 2.388 20 30 FEEDLO COc1cc(Br)cc(NC(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)c1 ZINC000329130007 553885898 /nfs/dbraw/zinc/88/58/98/553885898.db2.gz OCPDTBJNLGCAPV-UONOGXRCSA-N 1 2 370.247 2.018 20 30 FEEDLO COc1cc(Br)cc(NC(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)c1 ZINC000329130007 553885900 /nfs/dbraw/zinc/88/59/00/553885900.db2.gz OCPDTBJNLGCAPV-UONOGXRCSA-N 1 2 370.247 2.018 20 30 FEEDLO CC(C)(C)CC(=O)N1CSC[C@H]1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000329135149 553886888 /nfs/dbraw/zinc/88/68/88/553886888.db2.gz BZJASHOOGUJUEL-AWEZNQCLSA-N 1 2 371.547 2.391 20 30 FEEDLO CC(C)(C)CC(=O)N1CSC[C@H]1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000329135149 553886891 /nfs/dbraw/zinc/88/68/91/553886891.db2.gz BZJASHOOGUJUEL-AWEZNQCLSA-N 1 2 371.547 2.391 20 30 FEEDLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)N[C@@H]1CCO[C@]2(CCOC2)C1 ZINC000329148182 553889800 /nfs/dbraw/zinc/88/98/00/553889800.db2.gz PNTHKIVXUYLANQ-VQIMIIECSA-N 1 2 356.426 2.214 20 30 FEEDLO C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000329172297 553894958 /nfs/dbraw/zinc/89/49/58/553894958.db2.gz KYVPDKBIMSTCLV-OSAQELSMSA-N 1 2 356.875 2.304 20 30 FEEDLO C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000329172297 553894960 /nfs/dbraw/zinc/89/49/60/553894960.db2.gz KYVPDKBIMSTCLV-OSAQELSMSA-N 1 2 356.875 2.304 20 30 FEEDLO C[C@@]1(NC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCCOC1 ZINC000329196039 553899869 /nfs/dbraw/zinc/89/98/69/553899869.db2.gz VRAHBCMWWJUDIG-LJQANCHMSA-N 1 2 360.458 2.036 20 30 FEEDLO CC(C)O[C@@H]1C[C@H](NC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)C1(C)C ZINC000329234829 553908087 /nfs/dbraw/zinc/90/80/87/553908087.db2.gz MZQKFIHAPZTSQM-VVLHAWIVSA-N 1 2 353.507 2.288 20 30 FEEDLO C[C@@H]1CN(c2ccc(CNC(=O)Cc3c(F)cccc3C#N)c[nH+]2)CCO1 ZINC000506511062 561700576 /nfs/dbraw/zinc/70/05/76/561700576.db2.gz MKFTVLQXTXMXDH-CQSZACIVSA-N 1 2 368.412 2.176 20 30 FEEDLO CC[C@@H]1CN(C(=O)N[C@H](c2[nH+]ccn2C)C2CCOCC2)C[C@H](C)O1 ZINC000329420172 553943001 /nfs/dbraw/zinc/94/30/01/553943001.db2.gz FDVZKOMBWJFTIC-IMJJTQAJSA-N 1 2 350.463 2.301 20 30 FEEDLO COc1ccc([C@H](NC(=O)C[N@@H+]2CCN3CCOC[C@@H]3C2)C2CC2)cc1 ZINC000329469623 553952589 /nfs/dbraw/zinc/95/25/89/553952589.db2.gz XQUXEIKNLBNSCB-FXAWDEMLSA-N 1 2 359.470 2.119 20 30 FEEDLO COc1ccc([C@H](NC(=O)C[N@H+]2CCN3CCOC[C@@H]3C2)C2CC2)cc1 ZINC000329469623 553952591 /nfs/dbraw/zinc/95/25/91/553952591.db2.gz XQUXEIKNLBNSCB-FXAWDEMLSA-N 1 2 359.470 2.119 20 30 FEEDLO COc1c2cnn(C)c2ncc1C(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000329501608 553958351 /nfs/dbraw/zinc/95/83/51/553958351.db2.gz GIOQONBFAXGDDI-GFCCVEGCSA-N 1 2 354.414 2.364 20 30 FEEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)NCc3nc4cc(Cl)ccc4s3)C[C@@H]21 ZINC000329500535 553958443 /nfs/dbraw/zinc/95/84/43/553958443.db2.gz AACBOZGDRBIVBR-QWHCGFSZSA-N 1 2 366.874 2.379 20 30 FEEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)NCc3nc4cc(Cl)ccc4s3)C[C@@H]21 ZINC000329500535 553958444 /nfs/dbraw/zinc/95/84/44/553958444.db2.gz AACBOZGDRBIVBR-QWHCGFSZSA-N 1 2 366.874 2.379 20 30 FEEDLO Cc1ccn2cc(CNC(=O)N3CCCN(c4cccnn4)CC3)[nH+]c2c1 ZINC000329502895 553959113 /nfs/dbraw/zinc/95/91/13/553959113.db2.gz IAKCCBNTBCINAR-UHFFFAOYSA-N 1 2 365.441 2.059 20 30 FEEDLO [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CCC(OC[C@H]2CCCCO2)CC1 ZINC000329548869 553965645 /nfs/dbraw/zinc/96/56/45/553965645.db2.gz BIWCOPPWSOEISQ-GDBMZVCRSA-N 1 2 362.474 2.231 20 30 FEEDLO [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1CCC(OC[C@H]2CCCCO2)CC1 ZINC000329548869 553965649 /nfs/dbraw/zinc/96/56/49/553965649.db2.gz BIWCOPPWSOEISQ-GDBMZVCRSA-N 1 2 362.474 2.231 20 30 FEEDLO CC(C)Oc1c(F)cc(NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)cc1F ZINC000329552248 553966243 /nfs/dbraw/zinc/96/62/43/553966243.db2.gz JSHSWXODIWOPHC-CABCVRRESA-N 1 2 355.385 2.312 20 30 FEEDLO CC(C)Oc1c(F)cc(NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)cc1F ZINC000329552248 553966244 /nfs/dbraw/zinc/96/62/44/553966244.db2.gz JSHSWXODIWOPHC-CABCVRRESA-N 1 2 355.385 2.312 20 30 FEEDLO O=C(NCC1(C[NH+]2CCOCC2)CCCCC1)[C@H]1CCCCS1(=O)=O ZINC000329583852 553971752 /nfs/dbraw/zinc/97/17/52/553971752.db2.gz LUPUDPNVITYQKZ-MRXNPFEDSA-N 1 2 372.531 2.193 20 30 FEEDLO C[N@@H+](CC(=O)NC12CC3CC(CC(C3)C1)C2)C[C@H]1CCS(=O)(=O)C1 ZINC000329597666 553974589 /nfs/dbraw/zinc/97/45/89/553974589.db2.gz WDXJENMOSXYESI-ZZFFKQLHSA-N 1 2 354.516 2.278 20 30 FEEDLO C[N@H+](CC(=O)NC12CC3CC(CC(C3)C1)C2)C[C@H]1CCS(=O)(=O)C1 ZINC000329597666 553974590 /nfs/dbraw/zinc/97/45/90/553974590.db2.gz WDXJENMOSXYESI-ZZFFKQLHSA-N 1 2 354.516 2.278 20 30 FEEDLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000329650850 553982630 /nfs/dbraw/zinc/98/26/30/553982630.db2.gz KQXDBUABIMTERS-CFVMTHIKSA-N 1 2 350.488 2.377 20 30 FEEDLO Cn1cc[nH+]c1[C@H](NC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C)C1CC1 ZINC000507395059 561727973 /nfs/dbraw/zinc/72/79/73/561727973.db2.gz WHKDICFYFHJMOU-OAHLLOKOSA-N 1 2 368.441 2.054 20 30 FEEDLO Cc1nc2ccc(NC(=O)N3CC[NH+]([C@H](C)c4cccnc4)CC3)cn2n1 ZINC000329790252 554007098 /nfs/dbraw/zinc/00/70/98/554007098.db2.gz SYBHIECLSZEYSY-CQSZACIVSA-N 1 2 365.441 2.357 20 30 FEEDLO Cc1nsc(N2CC[NH+](CC(=O)N3[C@H](C)CCC[C@H]3C)CC2)c1C#N ZINC000329814446 554011194 /nfs/dbraw/zinc/01/11/94/554011194.db2.gz DRPWYUUVFHHMPI-ZIAGYGMSSA-N 1 2 361.515 2.235 20 30 FEEDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)C1 ZINC000507293411 561723970 /nfs/dbraw/zinc/72/39/70/561723970.db2.gz ZUOYLPARVIOGIX-FOIQADDNSA-N 1 2 374.485 2.463 20 30 FEEDLO Cc1ncsc1C[N@H+]1C[C@@H](F)C[C@H]1CN(C)C(=O)N[C@H]1CCCOC1 ZINC000329917445 554031189 /nfs/dbraw/zinc/03/11/89/554031189.db2.gz QUGFJVMCCAKZQZ-KKUMJFAQSA-N 1 2 370.494 2.389 20 30 FEEDLO Cc1ncsc1C[N@@H+]1C[C@@H](F)C[C@H]1CN(C)C(=O)N[C@H]1CCCOC1 ZINC000329917445 554031193 /nfs/dbraw/zinc/03/11/93/554031193.db2.gz QUGFJVMCCAKZQZ-KKUMJFAQSA-N 1 2 370.494 2.389 20 30 FEEDLO Cc1nn(-c2ccccc2)c(C)c1NC(=O)N1C[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000329919607 554031669 /nfs/dbraw/zinc/03/16/69/554031669.db2.gz RUFUJUNSVTYQEI-IAGOWNOFSA-N 1 2 355.442 2.049 20 30 FEEDLO Cc1nn(-c2ccccc2)c(C)c1NC(=O)N1C[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000329919607 554031672 /nfs/dbraw/zinc/03/16/72/554031672.db2.gz RUFUJUNSVTYQEI-IAGOWNOFSA-N 1 2 355.442 2.049 20 30 FEEDLO CCO[C@@H]1C[C@](O)(CNC(=O)NC[C@H]2CCCn3cc(C)[nH+]c32)C1(C)C ZINC000329945528 554036557 /nfs/dbraw/zinc/03/65/57/554036557.db2.gz XGQBQAUVCMPRIW-CLCXKQKWSA-N 1 2 364.490 2.139 20 30 FEEDLO COc1ccc(Cl)cc1NC(=O)[C@H](C)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000329968639 554041080 /nfs/dbraw/zinc/04/10/80/554041080.db2.gz UAKZJZFZEAADKX-HZUKXOBISA-N 1 2 353.850 2.340 20 30 FEEDLO COc1ccc(Cl)cc1NC(=O)[C@H](C)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000329968639 554041085 /nfs/dbraw/zinc/04/10/85/554041085.db2.gz UAKZJZFZEAADKX-HZUKXOBISA-N 1 2 353.850 2.340 20 30 FEEDLO COc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+]1C[C@H]2OCCN(C)[C@H]2C1 ZINC000329968639 554041090 /nfs/dbraw/zinc/04/10/90/554041090.db2.gz UAKZJZFZEAADKX-HZUKXOBISA-N 1 2 353.850 2.340 20 30 FEEDLO COc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+]1C[C@H]2OCCN(C)[C@H]2C1 ZINC000329968639 554041094 /nfs/dbraw/zinc/04/10/94/554041094.db2.gz UAKZJZFZEAADKX-HZUKXOBISA-N 1 2 353.850 2.340 20 30 FEEDLO Cn1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CNC(=O)NC[C@@]2(C)CCCS2)cn1 ZINC000329971482 554041384 /nfs/dbraw/zinc/04/13/84/554041384.db2.gz YMOBGOAXTCJXAA-YQQAZPJKSA-N 1 2 369.510 2.122 20 30 FEEDLO Cn1cc(C[N@H+]2C[C@@H](F)C[C@H]2CNC(=O)NC[C@@]2(C)CCCS2)cn1 ZINC000329971482 554041387 /nfs/dbraw/zinc/04/13/87/554041387.db2.gz YMOBGOAXTCJXAA-YQQAZPJKSA-N 1 2 369.510 2.122 20 30 FEEDLO CN1CC[C@H](C(=O)NC[C@@H]2C[C@H](F)C[N@@H+]2Cc2cccs2)CC1=O ZINC000329985132 554044677 /nfs/dbraw/zinc/04/46/77/554044677.db2.gz QWZICEAQCQQRBT-IHRRRGAJSA-N 1 2 353.463 2.485 20 30 FEEDLO CN1CC[C@H](C(=O)NC[C@@H]2C[C@H](F)C[N@H+]2Cc2cccs2)CC1=O ZINC000329985132 554044682 /nfs/dbraw/zinc/04/46/82/554044682.db2.gz QWZICEAQCQQRBT-IHRRRGAJSA-N 1 2 353.463 2.485 20 30 FEEDLO C[C@@H]1CCC[C@H](NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000329994306 554046024 /nfs/dbraw/zinc/04/60/24/554046024.db2.gz MCXPXXMETDISFG-ZACQAIPSSA-N 1 2 351.491 2.092 20 30 FEEDLO Cc1ccc(NC(=O)[C@H]2CCn3cc[nH+]c3C2)cc1N1C(=O)CNC1=O ZINC000330041334 554053545 /nfs/dbraw/zinc/05/35/45/554053545.db2.gz CXVTUSKZMCZKFQ-LBPRGKRZSA-N 1 2 353.382 2.303 20 30 FEEDLO C[C@@H]1C[N@H+](CC(=O)NC(=O)N[C@@H]2CCCC[C@@H]2C)C[C@@]2(CCOC2)O1 ZINC000330082326 554061879 /nfs/dbraw/zinc/06/18/79/554061879.db2.gz ARYIIUWAGURRGU-LUXYFRNMSA-N 1 2 353.463 2.315 20 30 FEEDLO C[C@@H]1C[N@@H+](CC(=O)NC(=O)N[C@@H]2CCCC[C@@H]2C)C[C@@]2(CCOC2)O1 ZINC000330082326 554061881 /nfs/dbraw/zinc/06/18/81/554061881.db2.gz ARYIIUWAGURRGU-LUXYFRNMSA-N 1 2 353.463 2.315 20 30 FEEDLO O=C(N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1)N[C@@H]1CCCSC1 ZINC000330102231 554064481 /nfs/dbraw/zinc/06/44/81/554064481.db2.gz FZROPCQDRCRKKK-MSOLQXFVSA-N 1 2 363.527 2.329 20 30 FEEDLO CC1(C)C[N@H+](CCNC(=O)NC[C@H]2CCO[C@@H]2c2ccccc2)CCO1 ZINC000330140333 554072357 /nfs/dbraw/zinc/07/23/57/554072357.db2.gz JEABUFWGGKNBQJ-QZTJIDSGSA-N 1 2 361.486 2.379 20 30 FEEDLO CC1(C)C[N@@H+](CCNC(=O)NC[C@H]2CCO[C@@H]2c2ccccc2)CCO1 ZINC000330140333 554072359 /nfs/dbraw/zinc/07/23/59/554072359.db2.gz JEABUFWGGKNBQJ-QZTJIDSGSA-N 1 2 361.486 2.379 20 30 FEEDLO Cc1nccc(NC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)[nH+]c2)n1 ZINC000330161606 554076208 /nfs/dbraw/zinc/07/62/08/554076208.db2.gz TXCVTKOYHTVKRV-STQMWFEESA-N 1 2 356.430 2.320 20 30 FEEDLO CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)NC[C@H]2CCCn3cc(C)[nH+]c32)C1 ZINC000330195848 554082972 /nfs/dbraw/zinc/08/29/72/554082972.db2.gz ZWMCKPDUJZKHDA-QLFBSQMISA-N 1 2 374.445 2.136 20 30 FEEDLO Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)c2cc3n(n2)CCCO3)cc1 ZINC000330300030 554101825 /nfs/dbraw/zinc/10/18/25/554101825.db2.gz MTWGQIUHCSCZLI-SFHVURJKSA-N 1 2 370.453 2.352 20 30 FEEDLO CCNC(=O)C[N@@H+]1CCCN(S(=O)(=O)CC23CCC(CC2)CC3)CC1 ZINC000330354143 554110728 /nfs/dbraw/zinc/11/07/28/554110728.db2.gz PFTFSYYUFDRABI-UHFFFAOYSA-N 1 2 371.547 2.271 20 30 FEEDLO CCNC(=O)C[N@H+]1CCCN(S(=O)(=O)CC23CCC(CC2)CC3)CC1 ZINC000330354143 554110730 /nfs/dbraw/zinc/11/07/30/554110730.db2.gz PFTFSYYUFDRABI-UHFFFAOYSA-N 1 2 371.547 2.271 20 30 FEEDLO CC(C)(C)OC(=O)C1CCN(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000330497944 554129867 /nfs/dbraw/zinc/12/98/67/554129867.db2.gz ZKCSJABOLXIYJO-UHFFFAOYSA-N 1 2 369.506 2.065 20 30 FEEDLO CC(C)(C)OC(=O)C1CCN(C(=O)NCC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000330497944 554129870 /nfs/dbraw/zinc/12/98/70/554129870.db2.gz ZKCSJABOLXIYJO-UHFFFAOYSA-N 1 2 369.506 2.065 20 30 FEEDLO C[C@H](NC(=O)N1CCC(C(=O)OC(C)(C)C)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000330631055 554148259 /nfs/dbraw/zinc/14/82/59/554148259.db2.gz FCODRXJONBJUMP-GJZGRUSLSA-N 1 2 369.506 2.063 20 30 FEEDLO CC1(C)CN(S(=O)(=O)c2ccc(C#N)o2)CC[N@@H+]1Cc1ccccc1 ZINC000330660214 554152578 /nfs/dbraw/zinc/15/25/78/554152578.db2.gz BFFILXLYJAWVON-UHFFFAOYSA-N 1 2 359.451 2.436 20 30 FEEDLO CC1(C)CN(S(=O)(=O)c2ccc(C#N)o2)CC[N@H+]1Cc1ccccc1 ZINC000330660214 554152581 /nfs/dbraw/zinc/15/25/81/554152581.db2.gz BFFILXLYJAWVON-UHFFFAOYSA-N 1 2 359.451 2.436 20 30 FEEDLO C[C@H](C(=O)NC(=O)NCC(F)(F)F)[N@@H+]1CCO[C@@H](C2CCCCC2)C1 ZINC000330897905 554184572 /nfs/dbraw/zinc/18/45/72/554184572.db2.gz UPJYZTDDJDLTEV-DGCLKSJQSA-N 1 2 365.396 2.249 20 30 FEEDLO C[C@H](C(=O)NC(=O)NCC(F)(F)F)[N@H+]1CCO[C@@H](C2CCCCC2)C1 ZINC000330897905 554184574 /nfs/dbraw/zinc/18/45/74/554184574.db2.gz UPJYZTDDJDLTEV-DGCLKSJQSA-N 1 2 365.396 2.249 20 30 FEEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000331308859 554245288 /nfs/dbraw/zinc/24/52/88/554245288.db2.gz XLAWEGWGLYKBEM-VXGBXAGGSA-N 1 2 357.380 2.368 20 30 FEEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000331308859 554245291 /nfs/dbraw/zinc/24/52/91/554245291.db2.gz XLAWEGWGLYKBEM-VXGBXAGGSA-N 1 2 357.380 2.368 20 30 FEEDLO CC[C@H](C)NC(=O)CN1CCN(C(=O)Nc2c(C)cc(C)[nH+]c2C)CC1 ZINC000331341570 554248947 /nfs/dbraw/zinc/24/89/47/554248947.db2.gz SQBRXEWJIBKUDO-AWEZNQCLSA-N 1 2 361.490 2.085 20 30 FEEDLO C[NH+](C)C1(C#N)CCN(C(=O)C(=O)N2CCCC3(CCCCC3)C2)CC1 ZINC000331441174 554265206 /nfs/dbraw/zinc/26/52/06/554265206.db2.gz RQQAPHQEXHPDRC-UHFFFAOYSA-N 1 2 360.502 2.006 20 30 FEEDLO N#Cc1cccc(CN2CC[NH+](CC(=O)NC3CCCCC3)CC2)c1F ZINC000331943086 554350106 /nfs/dbraw/zinc/35/01/06/554350106.db2.gz GUZMZIGSPOPRHQ-UHFFFAOYSA-N 1 2 358.461 2.264 20 30 FEEDLO Cn1cc[nH+]c1[C@H](NS(=O)(=O)c1ccc(Cl)c(C#N)c1)C1CC1 ZINC000510448674 561834927 /nfs/dbraw/zinc/83/49/27/561834927.db2.gz WXIIYZZUHCGSCT-CQSZACIVSA-N 1 2 350.831 2.375 20 30 FEEDLO C[C@H]1C[C@H](NC(=O)N2CCN(c3ccccc3C#N)CC2)c2[nH+]ccn21 ZINC000333065472 554567139 /nfs/dbraw/zinc/56/71/39/554567139.db2.gz DYOGENUSGZDRTG-HOCLYGCPSA-N 1 2 350.426 2.292 20 30 FEEDLO Cc1nnc([C@H]2CC[N@@H+]([C@@H](C)C(=O)N(C)C3(C#N)CCC(C)CC3)C2)[nH]1 ZINC000333119856 554575388 /nfs/dbraw/zinc/57/53/88/554575388.db2.gz HZTAIZCEQRZAES-IJSAUFJJSA-N 1 2 358.490 2.222 20 30 FEEDLO Cc1nnc([C@H]2CC[N@H+]([C@@H](C)C(=O)N(C)C3(C#N)CCC(C)CC3)C2)[nH]1 ZINC000333119856 554575389 /nfs/dbraw/zinc/57/53/89/554575389.db2.gz HZTAIZCEQRZAES-IJSAUFJJSA-N 1 2 358.490 2.222 20 30 FEEDLO Cc1n[nH]c([C@H]2CC[N@@H+]([C@@H](C)C(=O)N(C)C3(C#N)CCC(C)CC3)C2)n1 ZINC000333119856 554575390 /nfs/dbraw/zinc/57/53/90/554575390.db2.gz HZTAIZCEQRZAES-IJSAUFJJSA-N 1 2 358.490 2.222 20 30 FEEDLO Cc1n[nH]c([C@H]2CC[N@H+]([C@@H](C)C(=O)N(C)C3(C#N)CCC(C)CC3)C2)n1 ZINC000333119856 554575391 /nfs/dbraw/zinc/57/53/91/554575391.db2.gz HZTAIZCEQRZAES-IJSAUFJJSA-N 1 2 358.490 2.222 20 30 FEEDLO Cc1nc([C@H]2CC[N@@H+]([C@@H](C)C(=O)N(C)C3(C#N)CCC(C)CC3)C2)n[nH]1 ZINC000333119856 554575392 /nfs/dbraw/zinc/57/53/92/554575392.db2.gz HZTAIZCEQRZAES-IJSAUFJJSA-N 1 2 358.490 2.222 20 30 FEEDLO Cc1nc([C@H]2CC[N@H+]([C@@H](C)C(=O)N(C)C3(C#N)CCC(C)CC3)C2)n[nH]1 ZINC000333119856 554575393 /nfs/dbraw/zinc/57/53/93/554575393.db2.gz HZTAIZCEQRZAES-IJSAUFJJSA-N 1 2 358.490 2.222 20 30 FEEDLO C[C@H]1C[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)CC2(CCOCC2)O1 ZINC000333248816 554594279 /nfs/dbraw/zinc/59/42/79/554594279.db2.gz CWJCLSQYPQFZGL-AWEZNQCLSA-N 1 2 354.410 2.378 20 30 FEEDLO C[C@H]1C[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)CC2(CCOCC2)O1 ZINC000333248816 554594280 /nfs/dbraw/zinc/59/42/80/554594280.db2.gz CWJCLSQYPQFZGL-AWEZNQCLSA-N 1 2 354.410 2.378 20 30 FEEDLO N#Cc1cc(Cl)ccc1C[NH+]1CCC(N2CCCS2(=O)=O)CC1 ZINC000334024434 554669956 /nfs/dbraw/zinc/66/99/56/554669956.db2.gz GFBWCEIMMMXRHW-UHFFFAOYSA-N 1 2 353.875 2.212 20 30 FEEDLO Cc1cn2c([nH+]1)CC[C@H](NS(=O)(=O)c1ccc(C#N)c(Cl)c1)C2 ZINC000363167391 555044455 /nfs/dbraw/zinc/04/44/55/555044455.db2.gz ITKCCOZDUBHFJB-LBPRGKRZSA-N 1 2 350.831 2.010 20 30 FEEDLO C=CCN(CCc1ccccc1)C(=O)c1cnn(CC[NH+]2CCOCC2)c1 ZINC000363407706 555098237 /nfs/dbraw/zinc/09/82/37/555098237.db2.gz DHCNVZZYUPMGND-UHFFFAOYSA-N 1 2 368.481 2.086 20 30 FEEDLO N#Cc1cc(S(=O)(=O)NC2CCN(c3cccc[nH+]3)CC2)ccc1F ZINC000363476619 555115005 /nfs/dbraw/zinc/11/50/05/555115005.db2.gz YAAMSIZYMWUNDB-UHFFFAOYSA-N 1 2 360.414 2.040 20 30 FEEDLO Cc1nc(N2CCN(C(=O)[C@]3(C#N)CCc4ccccc4C3)CC2)cc[nH+]1 ZINC000363972417 555224663 /nfs/dbraw/zinc/22/46/63/555224663.db2.gz IGPOYEUDGUFKPJ-OAQYLSRUSA-N 1 2 361.449 2.133 20 30 FEEDLO N#Cc1ccc(CNC(=O)C[NH+]2CCC(c3noc(C4CC4)n3)CC2)cc1 ZINC000364045182 555239444 /nfs/dbraw/zinc/23/94/44/555239444.db2.gz KZWXIMBZTLHQDJ-UHFFFAOYSA-N 1 2 365.437 2.314 20 30 FEEDLO Cc1[nH+]c2ccccn2c1[C@@H]1C(=O)NCCN1Cc1ccc(C#N)c(F)c1 ZINC000364471966 555320008 /nfs/dbraw/zinc/32/00/08/555320008.db2.gz JWBUXKYZQKKCSC-LJQANCHMSA-N 1 2 363.396 2.327 20 30 FEEDLO COC(=O)[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC12CCC2 ZINC000365709649 555647061 /nfs/dbraw/zinc/64/70/61/555647061.db2.gz FIFBUANQIKFGNS-DOMZBBRYSA-N 1 2 359.426 2.370 20 30 FEEDLO COC(=O)[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC12CCC2 ZINC000365709649 555647062 /nfs/dbraw/zinc/64/70/62/555647062.db2.gz FIFBUANQIKFGNS-DOMZBBRYSA-N 1 2 359.426 2.370 20 30 FEEDLO N#Cc1ccc(Cn2cnc(NC(=O)[C@@H]3CC[N@@H+]3Cc3ccccc3)n2)cc1 ZINC000366505798 555862777 /nfs/dbraw/zinc/86/27/77/555862777.db2.gz LSAWKEHGKDPYLL-IBGZPJMESA-N 1 2 372.432 2.411 20 30 FEEDLO N#Cc1ccc(Cn2cnc(NC(=O)[C@@H]3CC[N@H+]3Cc3ccccc3)n2)cc1 ZINC000366505798 555862783 /nfs/dbraw/zinc/86/27/83/555862783.db2.gz LSAWKEHGKDPYLL-IBGZPJMESA-N 1 2 372.432 2.411 20 30 FEEDLO C=CCCO[C@@H](C)C(=O)N1CCN(Cc2c(C)[nH+]c3n2CCCC3)CC1 ZINC000367535492 556076441 /nfs/dbraw/zinc/07/64/41/556076441.db2.gz IMRYCCLLYDRKOY-KRWDZBQOSA-N 1 2 360.502 2.153 20 30 FEEDLO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN(C[C@@H](C#N)CCC#N)C2)CC1 ZINC000367552210 556080914 /nfs/dbraw/zinc/08/09/14/556080914.db2.gz MTSDLMXFOKSMSS-SJORKVTESA-N 1 2 361.490 2.057 20 30 FEEDLO Cc1cc(Br)cc([N+](=O)[O-])c1OC[C@@H](O)C[N@H+](C)CCC#N ZINC000514824060 561981431 /nfs/dbraw/zinc/98/14/31/561981431.db2.gz SKXWLEHVFQBPSJ-LBPRGKRZSA-N 1 2 372.219 2.251 20 30 FEEDLO Cc1cc(Br)cc([N+](=O)[O-])c1OC[C@@H](O)C[N@@H+](C)CCC#N ZINC000514824060 561981432 /nfs/dbraw/zinc/98/14/32/561981432.db2.gz SKXWLEHVFQBPSJ-LBPRGKRZSA-N 1 2 372.219 2.251 20 30 FEEDLO Cc1noc(C)c1CO[C@H]1CC[N@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000368854165 556429885 /nfs/dbraw/zinc/42/98/85/556429885.db2.gz MRHYGYPXIWZCKS-KRWDZBQOSA-N 1 2 354.410 2.393 20 30 FEEDLO Cc1noc(C)c1CO[C@H]1CC[N@@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000368854165 556429887 /nfs/dbraw/zinc/42/98/87/556429887.db2.gz MRHYGYPXIWZCKS-KRWDZBQOSA-N 1 2 354.410 2.393 20 30 FEEDLO Cc1oc(NC(=O)[C@@H](C)[NH+]2CCC(NC(=O)C3CCC3)CC2)c(C#N)c1C ZINC000368923271 556449123 /nfs/dbraw/zinc/44/91/23/556449123.db2.gz VGUKNSBHFTVFGA-CYBMUJFWSA-N 1 2 372.469 2.476 20 30 FEEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCCN(C(=O)c2ccoc2)CC1 ZINC000369386093 556586626 /nfs/dbraw/zinc/58/66/26/556586626.db2.gz OSIDPXAFANGSNM-INIZCTEOSA-N 1 2 372.469 2.159 20 30 FEEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCCN(C(=O)c2ccoc2)CC1 ZINC000369386093 556586628 /nfs/dbraw/zinc/58/66/28/556586628.db2.gz OSIDPXAFANGSNM-INIZCTEOSA-N 1 2 372.469 2.159 20 30 FEEDLO Cc1oc(NC(=O)C[NH+]2CCC(c3nc(N(C)C)no3)CC2)c(C#N)c1C ZINC000369400355 556591209 /nfs/dbraw/zinc/59/12/09/556591209.db2.gz XEIIQHRHOSZPFR-UHFFFAOYSA-N 1 2 372.429 2.035 20 30 FEEDLO CC[C@H]1C[N@H+](CC(=O)N(C)C2(C#N)CCCCC2)C[C@]2(CCCOC2)O1 ZINC000369537549 556624618 /nfs/dbraw/zinc/62/46/18/556624618.db2.gz RSKJISJXHBPGKN-PXNSSMCTSA-N 1 2 363.502 2.331 20 30 FEEDLO CC[C@H]1C[N@@H+](CC(=O)N(C)C2(C#N)CCCCC2)C[C@]2(CCCOC2)O1 ZINC000369537549 556624621 /nfs/dbraw/zinc/62/46/21/556624621.db2.gz RSKJISJXHBPGKN-PXNSSMCTSA-N 1 2 363.502 2.331 20 30 FEEDLO N#Cc1ccsc1N1CC[C@@H]([NH+]2CCC(Oc3cnccn3)CC2)C1=O ZINC000369696667 556671605 /nfs/dbraw/zinc/67/16/05/556671605.db2.gz YAHOCEQBZAJAQH-OAHLLOKOSA-N 1 2 369.450 2.058 20 30 FEEDLO C[C@@H]1C[C@]2(C[C@H]2C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCO1 ZINC000369900230 556725156 /nfs/dbraw/zinc/72/51/56/556725156.db2.gz AIFRITRRLCHZEP-PBEJRMEISA-N 1 2 353.466 2.408 20 30 FEEDLO N#Cc1nc(N2CCC3(CC2)NC(=O)C2(CCCCC2)[NH2+]3)ccc1Cl ZINC000370088172 556777484 /nfs/dbraw/zinc/77/74/84/556777484.db2.gz ATJJWNANPOFLAY-UHFFFAOYSA-N 1 2 359.861 2.325 20 30 FEEDLO C[C@@H](C(=O)Nc1ccc(F)cc1F)[NH+]1CCC(n2cnc(C#N)n2)CC1 ZINC000370121900 556786692 /nfs/dbraw/zinc/78/66/92/556786692.db2.gz MBESEUAFCZXXKK-NSHDSACASA-N 1 2 360.368 2.092 20 30 FEEDLO CC(=O)c1cccc(NC(=O)C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000370730853 556951498 /nfs/dbraw/zinc/95/14/98/556951498.db2.gz QYZNLLJDWHFBQH-SFHVURJKSA-N 1 2 364.405 2.248 20 30 FEEDLO CC(=O)c1cccc(NC(=O)C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000370730853 556951502 /nfs/dbraw/zinc/95/15/02/556951502.db2.gz QYZNLLJDWHFBQH-SFHVURJKSA-N 1 2 364.405 2.248 20 30 FEEDLO Cc1oc(NC(=O)C[N@@H+]2CCCC[C@H]2CN2CCCC2=O)c(C#N)c1C ZINC000370898556 557007714 /nfs/dbraw/zinc/00/77/14/557007714.db2.gz DSEWQQFIPRDNJJ-HNNXBMFYSA-N 1 2 358.442 2.184 20 30 FEEDLO Cc1oc(NC(=O)C[N@H+]2CCCC[C@H]2CN2CCCC2=O)c(C#N)c1C ZINC000370898556 557007718 /nfs/dbraw/zinc/00/77/18/557007718.db2.gz DSEWQQFIPRDNJJ-HNNXBMFYSA-N 1 2 358.442 2.184 20 30 FEEDLO COc1cc(/C=C/C(=O)N2CCn3c(C)c(C)[nH+]c3C2)ccc1OCC#N ZINC000370935512 557021907 /nfs/dbraw/zinc/02/19/07/557021907.db2.gz QUDZVHZHNBRIBV-FNORWQNLSA-N 1 2 366.421 2.467 20 30 FEEDLO N#Cc1csc(CN2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)n1 ZINC000517446976 562090626 /nfs/dbraw/zinc/09/06/26/562090626.db2.gz XAKUMTDGZLOBRJ-UHFFFAOYSA-N 1 2 356.451 2.104 20 30 FEEDLO Cc1cccc2ncc(C[N@@H+]3C[C@H](C#N)[C@@]4(C3)c3ccccc3NC4=O)n21 ZINC000371456161 557190188 /nfs/dbraw/zinc/19/01/88/557190188.db2.gz FUOVREYPPNTYBP-BTYIYWSLSA-N 1 2 357.417 2.488 20 30 FEEDLO Cc1cccc2ncc(C[N@H+]3C[C@H](C#N)[C@@]4(C3)c3ccccc3NC4=O)n21 ZINC000371456161 557190190 /nfs/dbraw/zinc/19/01/90/557190190.db2.gz FUOVREYPPNTYBP-BTYIYWSLSA-N 1 2 357.417 2.488 20 30 FEEDLO N#C[C@@H]1CN(C(=O)NCCCCn2cc[nH+]c2)CCN1Cc1ccccc1 ZINC000517990845 562102145 /nfs/dbraw/zinc/10/21/45/562102145.db2.gz BJVHSQSTQBYBHZ-LJQANCHMSA-N 1 2 366.469 2.083 20 30 FEEDLO Cc1cc(C)c(C#N)c(N2CC[NH+](CC(=O)N[C@H]3CCC[C@H](C)C3)CC2)n1 ZINC000518201736 562106322 /nfs/dbraw/zinc/10/63/22/562106322.db2.gz CWJPVSHBLROGSP-YJBOKZPZSA-N 1 2 369.513 2.387 20 30 FEEDLO CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCC(c2ccc(C)[nH+]c2)CC1 ZINC000374439299 557884156 /nfs/dbraw/zinc/88/41/56/557884156.db2.gz AHPFAIYWLDDJIT-AWEZNQCLSA-N 1 2 350.488 2.296 20 30 FEEDLO C#CCOCCC(=O)N[C@H]1CC[N@@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000374657079 557912826 /nfs/dbraw/zinc/91/28/26/557912826.db2.gz CSWNLYSQIIQNDN-YJBOKZPZSA-N 1 2 354.372 2.395 20 30 FEEDLO C#CCOCCC(=O)N[C@H]1CC[N@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000374657079 557912828 /nfs/dbraw/zinc/91/28/28/557912828.db2.gz CSWNLYSQIIQNDN-YJBOKZPZSA-N 1 2 354.372 2.395 20 30 FEEDLO Cc1cn2c([nH+]1)CC[C@H](NS(=O)(=O)c1cc(C#N)ccc1Cl)C2 ZINC000375370672 558016819 /nfs/dbraw/zinc/01/68/19/558016819.db2.gz QQAKSPYFJPNHLH-LBPRGKRZSA-N 1 2 350.831 2.010 20 30 FEEDLO N#Cc1cccc(CN2C(=O)CC[C@@H]2C(=O)Nc2cccc3[nH+]ccn32)c1 ZINC000375467305 558032427 /nfs/dbraw/zinc/03/24/27/558032427.db2.gz HZSNJLFBZDBXHC-MRXNPFEDSA-N 1 2 359.389 2.336 20 30 FEEDLO C=CCc1ccc(OCC(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)c(OC)c1 ZINC000521491057 562177560 /nfs/dbraw/zinc/17/75/60/562177560.db2.gz INVBHDNRZGMGOG-HZPDHXFCSA-N 1 2 362.470 2.028 20 30 FEEDLO N#Cc1ncn(C2CC[NH+](Cc3cn(-c4ccc(Cl)cc4)nn3)CC2)n1 ZINC000375923296 558100290 /nfs/dbraw/zinc/10/02/90/558100290.db2.gz ZYEBLKVENOCUMP-UHFFFAOYSA-N 1 2 368.832 2.221 20 30 FEEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000376195203 558139403 /nfs/dbraw/zinc/13/94/03/558139403.db2.gz JTVLBQKFYKSANG-NVXWUHKLSA-N 1 2 357.454 2.037 20 30 FEEDLO C=CCCO[C@H](C)C(=O)N1CCC[C@H]([N@H+](C)Cc2noc(C)n2)CC1 ZINC000376244576 558146946 /nfs/dbraw/zinc/14/69/46/558146946.db2.gz LFNGWHPKPSNLLM-ZBFHGGJFSA-N 1 2 350.463 2.172 20 30 FEEDLO C=CCCO[C@H](C)C(=O)N1CCC[C@H]([N@@H+](C)Cc2noc(C)n2)CC1 ZINC000376244576 558146947 /nfs/dbraw/zinc/14/69/47/558146947.db2.gz LFNGWHPKPSNLLM-ZBFHGGJFSA-N 1 2 350.463 2.172 20 30 FEEDLO C#CCCCS(=O)(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000376328862 558158579 /nfs/dbraw/zinc/15/85/79/558158579.db2.gz WMLPGDMVAOBVJX-IAGOWNOFSA-N 1 2 370.902 2.045 20 30 FEEDLO C#CCCCS(=O)(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000376328862 558158581 /nfs/dbraw/zinc/15/85/81/558158581.db2.gz WMLPGDMVAOBVJX-IAGOWNOFSA-N 1 2 370.902 2.045 20 30 FEEDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)C1 ZINC000376496398 558180977 /nfs/dbraw/zinc/18/09/77/558180977.db2.gz WZBFOZAIEYJJOV-RBUKOAKNSA-N 1 2 361.449 2.455 20 30 FEEDLO N#CC1(c2ccccn2)CC[NH+](CC(=O)NC(=O)NC2CCCCC2)CC1 ZINC000376739404 558215486 /nfs/dbraw/zinc/21/54/86/558215486.db2.gz YUSPIOQSTCVWMC-UHFFFAOYSA-N 1 2 369.469 2.097 20 30 FEEDLO Cc1ccc(N2CCC[C@H](C(=O)N=c3[nH][nH]c(C4CC4)c3C#N)C2)[nH+]c1 ZINC000377127287 558271993 /nfs/dbraw/zinc/27/19/93/558271993.db2.gz ISYFZIDSMBMNHP-AWEZNQCLSA-N 1 2 350.426 2.717 20 30 FEEDLO C#CCCS(=O)(=O)N[C@H]1CC[N@H+](C2CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000377297074 558309161 /nfs/dbraw/zinc/30/91/61/558309161.db2.gz PORIEOIALDMAAJ-IRXDYDNUSA-N 1 2 354.422 2.185 20 30 FEEDLO C#CCCS(=O)(=O)N[C@H]1CC[N@@H+](C2CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000377297074 558309164 /nfs/dbraw/zinc/30/91/64/558309164.db2.gz PORIEOIALDMAAJ-IRXDYDNUSA-N 1 2 354.422 2.185 20 30 FEEDLO C[N@@H+]1CCN(C(=O)N=c2ccn(CCC#N)[nH]2)C[C@@H]1c1ccccc1Cl ZINC000377601055 558375091 /nfs/dbraw/zinc/37/50/91/558375091.db2.gz KBFSEWQCZXIDPB-MRXNPFEDSA-N 1 2 372.860 2.971 20 30 FEEDLO C[N@H+]1CCN(C(=O)N=c2ccn(CCC#N)[nH]2)C[C@@H]1c1ccccc1Cl ZINC000377601055 558375094 /nfs/dbraw/zinc/37/50/94/558375094.db2.gz KBFSEWQCZXIDPB-MRXNPFEDSA-N 1 2 372.860 2.971 20 30 FEEDLO CC(C)(O)c1cn(C2C[NH+](Cc3cccc(OCCCC#N)c3)C2)nn1 ZINC000378536890 558578066 /nfs/dbraw/zinc/57/80/66/558578066.db2.gz IFULBLJVYOTLDX-UHFFFAOYSA-N 1 2 355.442 2.245 20 30 FEEDLO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1S(=O)(=O)c1cccc(Cl)c1C#N ZINC000408182554 558654875 /nfs/dbraw/zinc/65/48/75/558654875.db2.gz LAFRNOHODDCDLZ-STQMWFEESA-N 1 2 353.875 2.459 20 30 FEEDLO C[C@H]1C[N@H+]2CCCC[C@H]2CN1S(=O)(=O)c1cccc(Cl)c1C#N ZINC000408182554 558654878 /nfs/dbraw/zinc/65/48/78/558654878.db2.gz LAFRNOHODDCDLZ-STQMWFEESA-N 1 2 353.875 2.459 20 30 FEEDLO Cc1ccc(C#N)cc1S(=O)(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000524450859 562228797 /nfs/dbraw/zinc/22/87/97/562228797.db2.gz JCTXGKDPAWOLML-UHFFFAOYSA-N 1 2 361.492 2.265 20 30 FEEDLO Cc1ccc(C#N)cc1S(=O)(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000524450859 562228798 /nfs/dbraw/zinc/22/87/98/562228798.db2.gz JCTXGKDPAWOLML-UHFFFAOYSA-N 1 2 361.492 2.265 20 30 FEEDLO CCN(CCC#N)S(=O)(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000409557379 558702800 /nfs/dbraw/zinc/70/28/00/558702800.db2.gz YSGITYSIAYUNFG-OAHLLOKOSA-N 1 2 358.895 2.013 20 30 FEEDLO C=CCN1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)C1=O ZINC000410177198 558744129 /nfs/dbraw/zinc/74/41/29/558744129.db2.gz CAXXYFMFSSHKHF-MOPGFXCFSA-N 1 2 373.472 2.426 20 30 FEEDLO C=CCN1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)C1=O ZINC000410177198 558744131 /nfs/dbraw/zinc/74/41/31/558744131.db2.gz CAXXYFMFSSHKHF-MOPGFXCFSA-N 1 2 373.472 2.426 20 30 FEEDLO C=CCN(C)C(=O)C(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000410880034 558819151 /nfs/dbraw/zinc/81/91/51/558819151.db2.gz SVNMMBNQYULHBG-UHFFFAOYSA-N 1 2 360.845 2.210 20 30 FEEDLO O=S1(=O)CCCN1C1CC[NH+](CC#Cc2ccccc2Cl)CC1 ZINC000411837861 558973535 /nfs/dbraw/zinc/97/35/35/558973535.db2.gz YDOXTTBSOYRQNJ-UHFFFAOYSA-N 1 2 352.887 2.191 20 30 FEEDLO COCC(COC)[NH+]1CCN(c2ccc(C#N)cc2Br)CC1 ZINC000413477647 559110990 /nfs/dbraw/zinc/11/09/90/559110990.db2.gz NPPCPKNXCRTYCD-UHFFFAOYSA-N 1 2 368.275 2.104 20 30 FEEDLO C[C@@H]1C[C@@H](CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)[C@@H](C)O1 ZINC000413781967 559129974 /nfs/dbraw/zinc/12/99/74/559129974.db2.gz XPSXWQVNCGLAIL-MDZRGWNJSA-N 1 2 356.470 2.199 20 30 FEEDLO CC(C)c1nnc(SC[C@H](O)C[N@H+](C)CCC#N)n1Cc1ccco1 ZINC000414113547 559149624 /nfs/dbraw/zinc/14/96/24/559149624.db2.gz RYHTULTUUXKFCU-CQSZACIVSA-N 1 2 363.487 2.341 20 30 FEEDLO CC(C)c1nnc(SC[C@H](O)C[N@@H+](C)CCC#N)n1Cc1ccco1 ZINC000414113547 559149625 /nfs/dbraw/zinc/14/96/25/559149625.db2.gz RYHTULTUUXKFCU-CQSZACIVSA-N 1 2 363.487 2.341 20 30 FEEDLO CCn1c(SC[C@H](O)C[N@H+](C)CCC#N)nnc1-c1ccc(F)cc1 ZINC000414163756 559151305 /nfs/dbraw/zinc/15/13/05/559151305.db2.gz NQGPVVMQAJKRLI-OAHLLOKOSA-N 1 2 363.462 2.403 20 30 FEEDLO CCn1c(SC[C@H](O)C[N@@H+](C)CCC#N)nnc1-c1ccc(F)cc1 ZINC000414163756 559151306 /nfs/dbraw/zinc/15/13/06/559151306.db2.gz NQGPVVMQAJKRLI-OAHLLOKOSA-N 1 2 363.462 2.403 20 30 FEEDLO C[C@H](CNS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1)Cn1cc[nH+]c1 ZINC000414468197 559166558 /nfs/dbraw/zinc/16/65/58/559166558.db2.gz JXYSOHCXUYTGRD-LLVKDONJSA-N 1 2 372.372 2.388 20 30 FEEDLO N#Cc1cccnc1OC1CCC(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000527114164 562276883 /nfs/dbraw/zinc/27/68/83/562276883.db2.gz SKLIZTUGEUCGAR-MXWWQKGMSA-N 1 2 365.437 2.219 20 30 FEEDLO C[N@@H+]1CCN(S(=O)(=O)c2cc(Br)ccc2C#N)C(C)(C)C1 ZINC000416447676 559313540 /nfs/dbraw/zinc/31/35/40/559313540.db2.gz DEWWBTOUGKGMFH-UHFFFAOYSA-N 1 2 372.288 2.035 20 30 FEEDLO C[N@H+]1CCN(S(=O)(=O)c2cc(Br)ccc2C#N)C(C)(C)C1 ZINC000416447676 559313541 /nfs/dbraw/zinc/31/35/41/559313541.db2.gz DEWWBTOUGKGMFH-UHFFFAOYSA-N 1 2 372.288 2.035 20 30 FEEDLO CC(=O)N[C@@H]1CC[N@H+](CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)C1 ZINC000420979496 559516532 /nfs/dbraw/zinc/51/65/32/559516532.db2.gz DGRQVTBQRWZRGK-OAHLLOKOSA-N 1 2 362.861 2.106 20 30 FEEDLO CC(=O)N[C@@H]1CC[N@@H+](CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)C1 ZINC000420979496 559516533 /nfs/dbraw/zinc/51/65/33/559516533.db2.gz DGRQVTBQRWZRGK-OAHLLOKOSA-N 1 2 362.861 2.106 20 30 FEEDLO Cc1cc(NCc2ccc(S(=O)(=O)N3CCCC3)cc2)c(C#N)c[nH+]1 ZINC000425211103 559691566 /nfs/dbraw/zinc/69/15/66/559691566.db2.gz WSJSWJGANNEFRN-UHFFFAOYSA-N 1 2 356.451 2.080 20 30 FEEDLO CCNC(=O)[C@H]1Cc2ccccc2CN1Cc1c[nH+]c2ccc(C#N)cn12 ZINC000425366757 559698294 /nfs/dbraw/zinc/69/82/94/559698294.db2.gz QWDOARWJHNLXHS-LJQANCHMSA-N 1 2 359.433 2.269 20 30 FEEDLO COC(=O)c1cnc([C@H](C)[NH2+][C@H](C)C(=O)N[C@](C)(C#N)C(C)C)s1 ZINC000425481183 559704687 /nfs/dbraw/zinc/70/46/87/559704687.db2.gz FUKWJJGZCPIWRZ-OHUAYANFSA-N 1 2 352.460 2.023 20 30 FEEDLO C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C[C@H](O)C[NH+]1CCOCC1 ZINC000425529851 559708096 /nfs/dbraw/zinc/70/80/96/559708096.db2.gz CTKCNXMLELOHLC-WMLDXEAASA-N 1 2 371.403 2.113 20 30 FEEDLO CC(C)(C)[C@@H](C#N)NC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000427485515 559756480 /nfs/dbraw/zinc/75/64/80/559756480.db2.gz DIZGZLMMAHAPSI-HZPDHXFCSA-N 1 2 359.474 2.072 20 30 FEEDLO CC(C)(C)[C@@H](C#N)NC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000427485515 559756481 /nfs/dbraw/zinc/75/64/81/559756481.db2.gz DIZGZLMMAHAPSI-HZPDHXFCSA-N 1 2 359.474 2.072 20 30 FEEDLO Cc1ncc(S(=O)(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)cc1C#N ZINC000427783481 559762479 /nfs/dbraw/zinc/76/24/79/559762479.db2.gz VIRZFMRQKIPCIW-UHFFFAOYSA-N 1 2 357.370 2.387 20 30 FEEDLO N#CCCN(C(=O)CCC(=O)N[C@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000428004895 559767365 /nfs/dbraw/zinc/76/73/65/559767365.db2.gz IMFJKLAEKULHEA-INIZCTEOSA-N 1 2 365.437 2.041 20 30 FEEDLO N#Cc1c(F)cccc1CN1CC[NH+](CC(=O)NC2CCCCC2)CC1 ZINC000428360331 559773932 /nfs/dbraw/zinc/77/39/32/559773932.db2.gz CUFFNIVVHWUQCX-UHFFFAOYSA-N 1 2 358.461 2.264 20 30 FEEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCC2(CC1)CCS(=O)(=O)CC2 ZINC000428698904 559781318 /nfs/dbraw/zinc/78/13/18/559781318.db2.gz GAKSUCREESBBCF-INIZCTEOSA-N 1 2 356.532 2.090 20 30 FEEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)nc1 ZINC000428804231 559783754 /nfs/dbraw/zinc/78/37/54/559783754.db2.gz KPBFILKFFPQXOV-CQSZACIVSA-N 1 2 364.365 2.391 20 30 FEEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)nc1 ZINC000428804231 559783755 /nfs/dbraw/zinc/78/37/55/559783755.db2.gz KPBFILKFFPQXOV-CQSZACIVSA-N 1 2 364.365 2.391 20 30 FEEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCN(c2ccc(Cl)c(F)c2)C[C@@H]1C ZINC000428996170 559787848 /nfs/dbraw/zinc/78/78/48/559787848.db2.gz IAXMQCSBKOSIDS-LBPRGKRZSA-N 1 2 368.840 2.001 20 30 FEEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCN(c2ccc(Cl)c(F)c2)C[C@@H]1C ZINC000428996170 559787849 /nfs/dbraw/zinc/78/78/49/559787849.db2.gz IAXMQCSBKOSIDS-LBPRGKRZSA-N 1 2 368.840 2.001 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1C[C@H](C)O[C@@]2(CCO[C@H](C)C2)C1 ZINC000430275648 559816747 /nfs/dbraw/zinc/81/67/47/559816747.db2.gz BEWKOVKWBFAFDF-LMCLKVLCSA-N 1 2 351.491 2.088 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1C[C@H](C)O[C@@]2(CCO[C@H](C)C2)C1 ZINC000430275648 559816748 /nfs/dbraw/zinc/81/67/48/559816748.db2.gz BEWKOVKWBFAFDF-LMCLKVLCSA-N 1 2 351.491 2.088 20 30 FEEDLO N#CCCN(CCC#N)C(=O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000441240377 560026933 /nfs/dbraw/zinc/02/69/33/560026933.db2.gz AXENNPGLUKPQBG-UHFFFAOYSA-N 1 2 355.398 2.215 20 30 FEEDLO N#CCCN(CCC#N)C(=O)C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000441240377 560026934 /nfs/dbraw/zinc/02/69/34/560026934.db2.gz AXENNPGLUKPQBG-UHFFFAOYSA-N 1 2 355.398 2.215 20 30 FEEDLO C[C@H]1C[N@H+](CC#Cc2ccccc2Cl)CCN1c1nccn2cnnc12 ZINC000441259719 560027321 /nfs/dbraw/zinc/02/73/21/560027321.db2.gz FDMCNKQKLNPUCY-HNNXBMFYSA-N 1 2 366.856 2.340 20 30 FEEDLO C[C@H]1C[N@@H+](CC#Cc2ccccc2Cl)CCN1c1nccn2cnnc12 ZINC000441259719 560027322 /nfs/dbraw/zinc/02/73/22/560027322.db2.gz FDMCNKQKLNPUCY-HNNXBMFYSA-N 1 2 366.856 2.340 20 30 FEEDLO C=CCCS(=O)(=O)N1CC[N@@H+](Cc2ccccc2OCC)C[C@@H]1C ZINC000443085798 560070123 /nfs/dbraw/zinc/07/01/23/560070123.db2.gz DBTBWGPQRVLOKI-INIZCTEOSA-N 1 2 352.500 2.497 20 30 FEEDLO C=CCCS(=O)(=O)N1CC[N@H+](Cc2ccccc2OCC)C[C@@H]1C ZINC000443085798 560070124 /nfs/dbraw/zinc/07/01/24/560070124.db2.gz DBTBWGPQRVLOKI-INIZCTEOSA-N 1 2 352.500 2.497 20 30 FEEDLO CC[C@@H](NC(=O)[C@@H]1CCCN(c2nc(C)ccc2C#N)C1)c1[nH]cc[nH+]1 ZINC000443119041 560071499 /nfs/dbraw/zinc/07/14/99/560071499.db2.gz RAHPJCFZLIGCMO-HZPDHXFCSA-N 1 2 352.442 2.469 20 30 FEEDLO Cc1[nH]c(C#N)cc1C(=O)N[C@@H](C[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000448599925 560192235 /nfs/dbraw/zinc/19/22/35/560192235.db2.gz AUZDYNJMYWOKGZ-IBGZPJMESA-N 1 2 352.438 2.307 20 30 FEEDLO C/C=C/COc1cccc(CC(=O)N(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000448834324 560201755 /nfs/dbraw/zinc/20/17/55/560201755.db2.gz GPSPUDXVCOSKGU-NSCUHMNNSA-N 1 2 371.481 2.258 20 30 FEEDLO COc1ccc(-n2cc(C[NH+]3CCN(c4cc(C#N)ccn4)CC3)cn2)cc1 ZINC000449011312 560211796 /nfs/dbraw/zinc/21/17/96/560211796.db2.gz YXFDVZNWVCBXKZ-UHFFFAOYSA-N 1 2 374.448 2.470 20 30 FEEDLO C=CCOc1ccc(CC(=O)N2CCN(CC)[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000450859228 560275921 /nfs/dbraw/zinc/27/59/21/560275921.db2.gz AZTBLMMHFAZUQW-SFHVURJKSA-N 1 2 354.454 2.422 20 30 FEEDLO C[C@@]1(F)CCC[N@H+](CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C1 ZINC000451113398 560287898 /nfs/dbraw/zinc/28/78/98/560287898.db2.gz JTMXIFDZGCGCFT-MAUKXSAKSA-N 1 2 364.490 2.281 20 30 FEEDLO C[C@@]1(F)CCC[N@@H+](CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C1 ZINC000451113398 560287899 /nfs/dbraw/zinc/28/78/99/560287899.db2.gz JTMXIFDZGCGCFT-MAUKXSAKSA-N 1 2 364.490 2.281 20 30 FEEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451395845 560304186 /nfs/dbraw/zinc/30/41/86/560304186.db2.gz XOGWFEPMGJZQFH-RHSMWYFYSA-N 1 2 356.382 2.492 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCN(CC(F)(F)F)C[C@@H](C)C1 ZINC000451877726 560333713 /nfs/dbraw/zinc/33/37/13/560333713.db2.gz JXTCJVWNMYTNLB-IIAWOOMASA-N 1 2 362.440 2.245 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCN(CC(F)(F)F)C[C@@H](C)C1 ZINC000451877726 560333714 /nfs/dbraw/zinc/33/37/14/560333714.db2.gz JXTCJVWNMYTNLB-IIAWOOMASA-N 1 2 362.440 2.245 20 30 FEEDLO N#CCc1ccc(NC(=O)C(=O)N2CCC(n3cc[nH+]c3)CC2)c(Cl)c1 ZINC000453721108 560399561 /nfs/dbraw/zinc/39/95/61/560399561.db2.gz MPUYJBQDLWKTFO-UHFFFAOYSA-N 1 2 371.828 2.405 20 30 FEEDLO Cc1nc2ccccc2cc1C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000455223317 560474554 /nfs/dbraw/zinc/47/45/54/560474554.db2.gz PMOWKQRZPGKWNV-UHFFFAOYSA-N 1 2 352.438 2.231 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Nc1ccc([C@@H]2CCOC2)cc1 ZINC000455662190 560491000 /nfs/dbraw/zinc/49/10/00/560491000.db2.gz JYRDSYUEBYVUFS-GOSISDBHSA-N 1 2 372.469 2.270 20 30 FEEDLO C[N@@H+]1CCO[C@@H](CN(CC2CC2)C(=O)Nc2cnc(C#N)c(Cl)c2)C1 ZINC000455751673 560493784 /nfs/dbraw/zinc/49/37/84/560493784.db2.gz AWYRCENZZIHWFI-CQSZACIVSA-N 1 2 363.849 2.181 20 30 FEEDLO C[N@H+]1CCO[C@@H](CN(CC2CC2)C(=O)Nc2cnc(C#N)c(Cl)c2)C1 ZINC000455751673 560493785 /nfs/dbraw/zinc/49/37/85/560493785.db2.gz AWYRCENZZIHWFI-CQSZACIVSA-N 1 2 363.849 2.181 20 30 FEEDLO Cn1cc[nH+]c1[C@@H]1CN(C(=O)C(C)(C)Cc2ccc(C#N)cc2)CCN1C ZINC000456026088 560504897 /nfs/dbraw/zinc/50/48/97/560504897.db2.gz QLUZRJZTLQVCOR-SFHVURJKSA-N 1 2 365.481 2.376 20 30 FEEDLO C=CCC[C@@H](CO)NC(=O)NC[C@H](c1ccc(C)s1)[NH+]1CCOCC1 ZINC000458480937 560625914 /nfs/dbraw/zinc/62/59/14/560625914.db2.gz BBVLCNNUCBRYQA-JKSUJKDBSA-N 1 2 367.515 2.056 20 30 FEEDLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)N[C@@H](CCCC#N)c2ccccc2)CC1 ZINC000458808355 560649496 /nfs/dbraw/zinc/64/94/96/560649496.db2.gz ZAWQQXXMVMEOAM-KRWDZBQOSA-N 1 2 371.485 2.013 20 30 FEEDLO N#Cc1c(F)cccc1N1CC[NH+](Cc2cc(=O)[nH]c(C3CC3)n2)CC1 ZINC000459281557 560677525 /nfs/dbraw/zinc/67/75/25/560677525.db2.gz OJENLIXEJWAQFV-UHFFFAOYSA-N 1 2 353.401 2.393 20 30 FEEDLO COc1cc(CNC(=O)N[C@H]2CCO[C@H](c3c[nH+]cn3C)C2)ccc1C#N ZINC000462473143 560811405 /nfs/dbraw/zinc/81/14/05/560811405.db2.gz NHFCBVLHBLHAFZ-YJBOKZPZSA-N 1 2 369.425 2.020 20 30 FEEDLO COC(=O)[C@@H]1C[C@H](C2CCCCC2)C[N@@H+]1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000464819163 560852490 /nfs/dbraw/zinc/85/24/90/560852490.db2.gz RJUGEYXBFDSCNZ-KNBMTAEXSA-N 1 2 361.486 2.239 20 30 FEEDLO COC(=O)[C@@H]1C[C@H](C2CCCCC2)C[N@H+]1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000464819163 560852492 /nfs/dbraw/zinc/85/24/92/560852492.db2.gz RJUGEYXBFDSCNZ-KNBMTAEXSA-N 1 2 361.486 2.239 20 30 FEEDLO C[C@H]([NH2+][C@@H](C)c1nc(Cc2ccccc2)no1)C(=O)NC1(C#N)CCC1 ZINC000469771279 560964279 /nfs/dbraw/zinc/96/42/79/560964279.db2.gz ZENVBQKGZJINTF-KBPBESRZSA-N 1 2 353.426 2.262 20 30 FEEDLO CC[C@@H]1C[N@H+](CC(=O)N(C)C2(C#N)CCCCC2)[C@@H](CC)CN1C(C)=O ZINC000472352798 561024948 /nfs/dbraw/zinc/02/49/48/561024948.db2.gz VKVSZRAHKAWARG-ZWKOTPCHSA-N 1 2 362.518 2.393 20 30 FEEDLO CC[C@@H]1C[N@@H+](CC(=O)N(C)C2(C#N)CCCCC2)[C@@H](CC)CN1C(C)=O ZINC000472352798 561024949 /nfs/dbraw/zinc/02/49/49/561024949.db2.gz VKVSZRAHKAWARG-ZWKOTPCHSA-N 1 2 362.518 2.393 20 30 FEEDLO CN1CC[N@H+](C)[C@H](CNC(=O)Nc2ccccc2C#Cc2ccccc2)C1 ZINC000472875193 561036966 /nfs/dbraw/zinc/03/69/66/561036966.db2.gz BBCPIVCAJUFGAR-HXUWFJFHSA-N 1 2 362.477 2.454 20 30 FEEDLO CN1CC[N@@H+](C)[C@H](CNC(=O)Nc2ccccc2C#Cc2ccccc2)C1 ZINC000472875193 561036967 /nfs/dbraw/zinc/03/69/67/561036967.db2.gz BBCPIVCAJUFGAR-HXUWFJFHSA-N 1 2 362.477 2.454 20 30 FEEDLO CC1(C)CN(CC(F)(F)F)CC[N@@H+]1C[C@H](O)COc1ccccc1C#N ZINC000528437537 562329308 /nfs/dbraw/zinc/32/93/08/562329308.db2.gz LMKWSRZVYMYXRP-HNNXBMFYSA-N 1 2 371.403 2.256 20 30 FEEDLO CC1(C)CN(CC(F)(F)F)CC[N@H+]1C[C@H](O)COc1ccccc1C#N ZINC000528437537 562329309 /nfs/dbraw/zinc/32/93/09/562329309.db2.gz LMKWSRZVYMYXRP-HNNXBMFYSA-N 1 2 371.403 2.256 20 30 FEEDLO CCOC[C@H]1C[N@@H+]([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)CCO1 ZINC000528723575 562343945 /nfs/dbraw/zinc/34/39/45/562343945.db2.gz QUZKMNGXFUBLQA-DHADLLTHSA-N 1 2 351.491 2.043 20 30 FEEDLO CCOC[C@H]1C[N@H+]([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)CCO1 ZINC000528723575 562343946 /nfs/dbraw/zinc/34/39/46/562343946.db2.gz QUZKMNGXFUBLQA-DHADLLTHSA-N 1 2 351.491 2.043 20 30 FEEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000528787467 562348032 /nfs/dbraw/zinc/34/80/32/562348032.db2.gz MXOFSVYKNYLSKW-XXAQJILISA-N 1 2 351.859 2.136 20 30 FEEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000528787467 562348033 /nfs/dbraw/zinc/34/80/33/562348033.db2.gz MXOFSVYKNYLSKW-XXAQJILISA-N 1 2 351.859 2.136 20 30 FEEDLO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000530391797 562409479 /nfs/dbraw/zinc/40/94/79/562409479.db2.gz HAOLWJMABLRLGY-INIZCTEOSA-N 1 2 373.497 2.314 20 30 FEEDLO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000530391797 562409480 /nfs/dbraw/zinc/40/94/80/562409480.db2.gz HAOLWJMABLRLGY-INIZCTEOSA-N 1 2 373.497 2.314 20 30 FEEDLO COc1cc2c(cc1OC)C[N@H+](CC(=O)N(C[C@H](C)C#N)C1CC1)CC2 ZINC000533140899 562499726 /nfs/dbraw/zinc/49/97/26/562499726.db2.gz HENRMNPCAUINHR-CQSZACIVSA-N 1 2 357.454 2.213 20 30 FEEDLO COc1cc2c(cc1OC)C[N@@H+](CC(=O)N(C[C@H](C)C#N)C1CC1)CC2 ZINC000533140899 562499727 /nfs/dbraw/zinc/49/97/27/562499727.db2.gz HENRMNPCAUINHR-CQSZACIVSA-N 1 2 357.454 2.213 20 30 FEEDLO Cc1ccc2nc(C[NH+]3CCN([C@@H](C#N)c4ccccc4)CC3)cc(=O)n2c1 ZINC000533529168 562511687 /nfs/dbraw/zinc/51/16/87/562511687.db2.gz OKDKJWNFRDXQEQ-FQEVSTJZSA-N 1 2 373.460 2.385 20 30 FEEDLO COC(=O)c1cccc(C[N@@H+]2CCCN(CC(F)(F)F)CC2)c1C#N ZINC000534488894 562535061 /nfs/dbraw/zinc/53/50/61/562535061.db2.gz XISWKXTXIWZCMN-UHFFFAOYSA-N 1 2 355.360 2.415 20 30 FEEDLO COC(=O)c1cccc(C[N@H+]2CCCN(CC(F)(F)F)CC2)c1C#N ZINC000534488894 562535062 /nfs/dbraw/zinc/53/50/62/562535062.db2.gz XISWKXTXIWZCMN-UHFFFAOYSA-N 1 2 355.360 2.415 20 30 FEEDLO N#Cc1cc(NC(=O)C(=O)N2CC[NH+](Cc3ccsc3)CC2)ccc1F ZINC000535257182 562554279 /nfs/dbraw/zinc/55/42/79/562554279.db2.gz HPESHDCPVCUKHI-UHFFFAOYSA-N 1 2 372.425 2.042 20 30 FEEDLO N#Cc1ccc([C@H]([NH2+]CCOc2cccc(C(F)(F)F)n2)C(N)=O)cc1 ZINC000535402206 562557840 /nfs/dbraw/zinc/55/78/40/562557840.db2.gz QUMBOKSFINLCMO-HNNXBMFYSA-N 1 2 364.327 2.167 20 30 FEEDLO C[C@@H]1[C@H](C)N(S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CC[N@H+]1C ZINC000536129744 562573140 /nfs/dbraw/zinc/57/31/40/562573140.db2.gz CSLSBCAQQBTPCA-MNOVXSKESA-N 1 2 361.389 2.290 20 30 FEEDLO C[C@@H]1[C@H](C)N(S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CC[N@@H+]1C ZINC000536129744 562573141 /nfs/dbraw/zinc/57/31/41/562573141.db2.gz CSLSBCAQQBTPCA-MNOVXSKESA-N 1 2 361.389 2.290 20 30 FEEDLO C=C(C)C[C@H](NC(=O)CSCc1cn2cc(C)ccc2[nH+]1)C(=O)OC ZINC000601777651 567838785 /nfs/dbraw/zinc/83/87/85/567838785.db2.gz JEDBRGZKSCPKJV-HNNXBMFYSA-N 1 2 361.467 2.500 20 30 FEEDLO Cc1ncc(C(F)(F)F)cc1C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000602085109 567920950 /nfs/dbraw/zinc/92/09/50/567920950.db2.gz GQOTZPMBBHQEID-UHFFFAOYSA-N 1 2 370.375 2.097 20 30 FEEDLO N#C[C@@H]1CN(Cc2cc3c(c[nH+]2)OCCO3)CCN1Cc1ccccc1 ZINC000602427926 567979296 /nfs/dbraw/zinc/97/92/96/567979296.db2.gz LOSZRKLLTOOJHA-GOSISDBHSA-N 1 2 350.422 2.063 20 30 FEEDLO C[C@@H]1C[N@@H+](CC(=O)N(C)[C@H]2CCCc3ccccc32)C[C@H](C)N1CC#N ZINC000602857580 568002716 /nfs/dbraw/zinc/00/27/16/568002716.db2.gz SXRIYOPMGHLODS-QKLQHJQFSA-N 1 2 354.498 2.441 20 30 FEEDLO C[C@@H]1C[N@H+](CC(=O)N(C)[C@H]2CCCc3ccccc32)C[C@H](C)N1CC#N ZINC000602857580 568002717 /nfs/dbraw/zinc/00/27/17/568002717.db2.gz SXRIYOPMGHLODS-QKLQHJQFSA-N 1 2 354.498 2.441 20 30 FEEDLO Cc1cc(I)ccc1NC(=O)C[NH2+][C@H](C)CC#N ZINC000602867520 568008565 /nfs/dbraw/zinc/00/85/65/568008565.db2.gz DMVZHLDBIAVTEO-SNVBAGLBSA-N 1 2 357.195 2.430 20 30 FEEDLO COc1cccc(-c2nc(CN(CCC#N)CC[NH+]3CCOCC3)co2)c1 ZINC000602782223 568039276 /nfs/dbraw/zinc/03/92/76/568039276.db2.gz MIYYPSGIRDUCRP-UHFFFAOYSA-N 1 2 370.453 2.398 20 30 FEEDLO Cc1ccc(NC(=O)NC(=O)[C@H](C)[NH+]2C[C@H](C)N(CC#N)[C@@H](C)C2)c(C)c1 ZINC000602859975 568049313 /nfs/dbraw/zinc/04/93/13/568049313.db2.gz ZYXLYCZVTFDKOK-ULQDDVLXSA-N 1 2 371.485 2.258 20 30 FEEDLO CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC(Cc2nnc(C(C)C)[nH]2)CC1 ZINC000602860857 568049381 /nfs/dbraw/zinc/04/93/81/568049381.db2.gz GULKEZUPSGMDFN-OAHLLOKOSA-N 1 2 360.506 2.191 20 30 FEEDLO CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC(Cc2n[nH]c(C(C)C)n2)CC1 ZINC000602860857 568049383 /nfs/dbraw/zinc/04/93/83/568049383.db2.gz GULKEZUPSGMDFN-OAHLLOKOSA-N 1 2 360.506 2.191 20 30 FEEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602860873 568049476 /nfs/dbraw/zinc/04/94/76/568049476.db2.gz JQIUSWYBZWLIAD-FGTMMUONSA-N 1 2 353.470 2.240 20 30 FEEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602860873 568049477 /nfs/dbraw/zinc/04/94/77/568049477.db2.gz JQIUSWYBZWLIAD-FGTMMUONSA-N 1 2 353.470 2.240 20 30 FEEDLO C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602863122 568049988 /nfs/dbraw/zinc/04/99/88/568049988.db2.gz OQXPTNJWUOMCCC-ZNMIVQPWSA-N 1 2 364.440 2.402 20 30 FEEDLO C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602863122 568049989 /nfs/dbraw/zinc/04/99/89/568049989.db2.gz OQXPTNJWUOMCCC-ZNMIVQPWSA-N 1 2 364.440 2.402 20 30 FEEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)n1cc(Cn2cc[nH+]c2)nn1 ZINC000603195028 568072511 /nfs/dbraw/zinc/07/25/11/568072511.db2.gz HSUXXZJUNMJTRZ-AWEZNQCLSA-N 1 2 367.388 2.170 20 30 FEEDLO N#Cc1cnc2ccc(OC(F)F)cc2c1NCC1([NH+]2CCOCC2)CC1 ZINC000568830615 568234089 /nfs/dbraw/zinc/23/40/89/568234089.db2.gz KGECJEHIZIACQS-UHFFFAOYSA-N 1 2 374.391 2.406 20 30 FEEDLO COC(=O)c1cccc(C[N@@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)c1C#N ZINC000569071293 568270567 /nfs/dbraw/zinc/27/05/67/568270567.db2.gz OEAGSBIJOGSLCP-WFASDCNBSA-N 1 2 356.344 2.480 20 30 FEEDLO COC(=O)c1cccc(C[N@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)c1C#N ZINC000569071293 568270569 /nfs/dbraw/zinc/27/05/69/568270569.db2.gz OEAGSBIJOGSLCP-WFASDCNBSA-N 1 2 356.344 2.480 20 30 FEEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@@H](C)C(=O)NC[C@@H](C)c2ccccc2)CC1 ZINC000609485779 568346152 /nfs/dbraw/zinc/34/61/52/568346152.db2.gz XJRAYBYXYISDRH-HBFSDRIKSA-N 1 2 356.514 2.461 20 30 FEEDLO COC(=O)c1cccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)c1C#N ZINC000556829116 674423160 /nfs/dbraw/zinc/42/31/60/674423160.db2.gz XFXGNGCEIXEXRX-DOMZBBRYSA-N 1 2 356.344 2.338 20 30 FEEDLO COC(=O)c1cccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)c1C#N ZINC000556829116 674423161 /nfs/dbraw/zinc/42/31/61/674423161.db2.gz XFXGNGCEIXEXRX-DOMZBBRYSA-N 1 2 356.344 2.338 20 30 FEEDLO C#CCCS(=O)(=O)N1CC[N@@H+](Cc2ccc(C)nc2)C[C@@H]1[C@H](C)CC ZINC000808302139 674450967 /nfs/dbraw/zinc/45/09/67/674450967.db2.gz CVSFXVVPVAKGIH-VQIMIIECSA-N 1 2 363.527 2.275 20 30 FEEDLO C#CCCS(=O)(=O)N1CC[N@H+](Cc2ccc(C)nc2)C[C@@H]1[C@H](C)CC ZINC000808302139 674450970 /nfs/dbraw/zinc/45/09/70/674450970.db2.gz CVSFXVVPVAKGIH-VQIMIIECSA-N 1 2 363.527 2.275 20 30 FEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](Cc1cccs1)[C@@H]1C=C[C@H](CO)C1 ZINC000558132624 674484314 /nfs/dbraw/zinc/48/43/14/674484314.db2.gz QJJXCPUXTCULSC-YESZJQIVSA-N 1 2 361.511 2.495 20 30 FEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](Cc1cccs1)[C@@H]1C=C[C@H](CO)C1 ZINC000558132624 674484317 /nfs/dbraw/zinc/48/43/17/674484317.db2.gz QJJXCPUXTCULSC-YESZJQIVSA-N 1 2 361.511 2.495 20 30 FEEDLO COc1ccccc1[C@@H](CNS(=O)(=O)CCC(C)(C)C#N)[NH+](C)C ZINC000558426711 674494922 /nfs/dbraw/zinc/49/49/22/674494922.db2.gz AWUQSQNSAYKLAG-OAHLLOKOSA-N 1 2 353.488 2.157 20 30 FEEDLO CC(C)(C#N)CCCN1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000819892017 606110804 /nfs/dbraw/zinc/11/08/04/606110804.db2.gz QKZGCSWTHFRRGA-UHFFFAOYSA-N 1 2 353.474 2.314 20 30 FEEDLO C=C(CC)C[NH+]1CCN(c2oc(-c3ccco3)nc2-c2nn[nH]n2)CC1 ZINC000823878454 608315974 /nfs/dbraw/zinc/31/59/74/608315974.db2.gz ZYFZZQZNBFCYEF-UHFFFAOYSA-N 1 2 355.402 2.203 20 30 FEEDLO CN1C(=O)C[C@H]([NH2+]Cc2ncc(C#N)cn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000561239188 674649320 /nfs/dbraw/zinc/64/93/20/674649320.db2.gz AHEPKZLDAFSSKE-YOEHRIQHSA-N 1 2 359.792 2.202 20 30 FEEDLO CN1C(=O)C[C@@H]([NH2+]Cc2ncc(C#N)cn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000561239185 674649577 /nfs/dbraw/zinc/64/95/77/674649577.db2.gz AHEPKZLDAFSSKE-PBHICJAKSA-N 1 2 359.792 2.202 20 30 FEEDLO CC[C@@H]1[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CCN1c1nc(Cl)c(C#N)s1 ZINC001049021674 675021281 /nfs/dbraw/zinc/02/12/81/675021281.db2.gz BYSKJEAOEIKAGT-WDEREUQCSA-N 1 2 364.862 2.107 20 30 FEEDLO N#CC1(CS(=O)(=O)N2CCC(CCCn3cc[nH+]c3)CC2)CCC1 ZINC000569888432 670628474 /nfs/dbraw/zinc/62/84/74/670628474.db2.gz JOHVOQZWKWJHHM-UHFFFAOYSA-N 1 2 350.488 2.399 20 30 FEEDLO C=C(Br)CNC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000114787070 670893591 /nfs/dbraw/zinc/89/35/91/670893591.db2.gz RTEOOBHCXHYHJI-ZDUSSCGKSA-N 1 2 353.264 2.378 20 30 FEEDLO C[N@H+](CCC#N)C[C@H](O)CNc1ccc2c(c1)N(CC(F)F)CCS2 ZINC000565888049 675158355 /nfs/dbraw/zinc/15/83/55/675158355.db2.gz IJVRQIXTZBJIJF-CQSZACIVSA-N 1 2 370.469 2.482 20 30 FEEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1ccc2c(c1)N(CC(F)F)CCS2 ZINC000565888049 675158356 /nfs/dbraw/zinc/15/83/56/675158356.db2.gz IJVRQIXTZBJIJF-CQSZACIVSA-N 1 2 370.469 2.482 20 30 FEEDLO C[C@@H]1[C@H](C)SCC[N@@H+]1CN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O ZINC000118382187 671885780 /nfs/dbraw/zinc/88/57/80/671885780.db2.gz CWJQTVFQQRLECN-FHSNZYRGSA-N 1 2 358.467 2.109 20 30 FEEDLO C[C@@H]1[C@H](C)SCC[N@H+]1CN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O ZINC000118382187 671885783 /nfs/dbraw/zinc/88/57/83/671885783.db2.gz CWJQTVFQQRLECN-FHSNZYRGSA-N 1 2 358.467 2.109 20 30 FEEDLO CCCCCCCC[NH+]1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 ZINC000122724835 671970636 /nfs/dbraw/zinc/97/06/36/671970636.db2.gz XHFGFHKUQXZDRN-UHFFFAOYSA-N 1 2 356.536 2.395 20 30 FEEDLO Cc1cc(C(N)=[NH+]OCCOc2cccc(S(C)(=O)=O)c2)ccc1F ZINC000153703845 672203414 /nfs/dbraw/zinc/20/34/14/672203414.db2.gz BOERCXIXBQTANZ-UHFFFAOYSA-N 1 2 366.414 2.254 20 30 FEEDLO CC[C@H]1C[N@H+](CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)CCS1 ZINC000173511320 672352673 /nfs/dbraw/zinc/35/26/73/672352673.db2.gz CBGMKZYWOGENBG-INIZCTEOSA-N 1 2 358.467 2.107 20 30 FEEDLO CC[C@H]1C[N@@H+](CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)CCS1 ZINC000173511320 672352675 /nfs/dbraw/zinc/35/26/75/672352675.db2.gz CBGMKZYWOGENBG-INIZCTEOSA-N 1 2 358.467 2.107 20 30 FEEDLO CCc1nc(CON=C(N)[C@H]2C[N@H+](Cc3ccccc3)CCO2)cs1 ZINC000181851418 672432053 /nfs/dbraw/zinc/43/20/53/672432053.db2.gz VRMNZASXHPHMBH-MRXNPFEDSA-N 1 2 360.483 2.395 20 30 FEEDLO CCc1nc(CON=C(N)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cs1 ZINC000181851418 672432055 /nfs/dbraw/zinc/43/20/55/672432055.db2.gz VRMNZASXHPHMBH-MRXNPFEDSA-N 1 2 360.483 2.395 20 30 FEEDLO C=CC[N@@H+](CC(=O)Nc1sc(C(=O)OC)c(C)c1C(=O)OC)C1CC1 ZINC000611324416 676032129 /nfs/dbraw/zinc/03/21/29/676032129.db2.gz AESJQZGIKGLYRS-UHFFFAOYSA-N 1 2 366.439 2.219 20 30 FEEDLO C=CC[N@H+](CC(=O)Nc1sc(C(=O)OC)c(C)c1C(=O)OC)C1CC1 ZINC000611324416 676032131 /nfs/dbraw/zinc/03/21/31/676032131.db2.gz AESJQZGIKGLYRS-UHFFFAOYSA-N 1 2 366.439 2.219 20 30 FEEDLO COc1ccc(C[N@@H+]2CC[C@@](O)(CC#N)C2)c(Br)c1OC ZINC000592148091 672763942 /nfs/dbraw/zinc/76/39/42/672763942.db2.gz VUPQOLIXXHMACH-HNNXBMFYSA-N 1 2 355.232 2.317 20 30 FEEDLO COc1ccc(C[N@H+]2CC[C@@](O)(CC#N)C2)c(Br)c1OC ZINC000592148091 672763944 /nfs/dbraw/zinc/76/39/44/672763944.db2.gz VUPQOLIXXHMACH-HNNXBMFYSA-N 1 2 355.232 2.317 20 30 FEEDLO N#Cc1cc(Br)ccc1CC(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000593697880 672980273 /nfs/dbraw/zinc/98/02/73/672980273.db2.gz GWCRVBMAOTYOCK-CQSZACIVSA-N 1 2 359.227 2.191 20 30 FEEDLO C[N@H+](CC(=O)N[C@@H]1CCS(=O)(=O)c2ccccc21)[C@H]1CCSC1 ZINC000328936766 673069989 /nfs/dbraw/zinc/06/99/89/673069989.db2.gz QXAPMQLVXZVYME-GXTWGEPZSA-N 1 2 354.497 2.299 20 30 FEEDLO C[N@@H+](CC(=O)N[C@@H]1CCS(=O)(=O)c2ccccc21)[C@H]1CCSC1 ZINC000328936766 673069994 /nfs/dbraw/zinc/06/99/94/673069994.db2.gz QXAPMQLVXZVYME-GXTWGEPZSA-N 1 2 354.497 2.299 20 30 FEEDLO O=C(Nc1csc(-c2ccccn2)n1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000329816924 673084033 /nfs/dbraw/zinc/08/40/33/673084033.db2.gz FPUAVOTTYLKUAY-CYBMUJFWSA-N 1 2 359.455 2.157 20 30 FEEDLO C[N@H+](CCC#N)C[C@H](O)CN1CC(Oc2cccc(Cl)c2Cl)C1 ZINC000594716697 673121882 /nfs/dbraw/zinc/12/18/82/673121882.db2.gz SWECKSMAEYOTEU-LBPRGKRZSA-N 1 2 358.269 2.263 20 30 FEEDLO C[N@@H+](CCC#N)C[C@H](O)CN1CC(Oc2cccc(Cl)c2Cl)C1 ZINC000594716697 673121886 /nfs/dbraw/zinc/12/18/86/673121886.db2.gz SWECKSMAEYOTEU-LBPRGKRZSA-N 1 2 358.269 2.263 20 30 FEEDLO COc1cccc(OC)c1C[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000594718432 673122297 /nfs/dbraw/zinc/12/22/97/673122297.db2.gz QAGVGLHAORNGPJ-UHFFFAOYSA-N 1 2 360.435 2.139 20 30 FEEDLO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000595111377 673194937 /nfs/dbraw/zinc/19/49/37/673194937.db2.gz IUKGONMHCNPOFW-MRXNPFEDSA-N 1 2 367.471 2.404 20 30 FEEDLO Cn1cc[nH+]c1[C@H]1CCCN(S(=O)(=O)Cc2cc(C#N)ccc2F)C1 ZINC000443993405 673225404 /nfs/dbraw/zinc/22/54/04/673225404.db2.gz PVGJOGWGJKSYJJ-AWEZNQCLSA-N 1 2 362.430 2.140 20 30 FEEDLO C[C@@](C#N)(NC(=O)C[NH2+][C@@H](CO)c1cccc(Cl)c1Cl)C1CC1 ZINC000595828583 673328305 /nfs/dbraw/zinc/32/83/05/673328305.db2.gz LGUYVZNHMVRYTG-BBRMVZONSA-N 1 2 356.253 2.425 20 30 FEEDLO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCc3nccnc3C1)CCC2 ZINC000595865899 673332090 /nfs/dbraw/zinc/33/20/90/673332090.db2.gz ZZJVBYGVXNRZIU-UHFFFAOYSA-N 1 2 353.451 2.285 20 30 FEEDLO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCc3nccnc3C1)CCC2 ZINC000595865899 673332093 /nfs/dbraw/zinc/33/20/93/673332093.db2.gz ZZJVBYGVXNRZIU-UHFFFAOYSA-N 1 2 353.451 2.285 20 30 FEEDLO N#Cc1ccc(CS(=O)(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1 ZINC000600087232 673739838 /nfs/dbraw/zinc/73/98/38/673739838.db2.gz LAARUPIYRAVXKI-UHFFFAOYSA-N 1 2 356.451 2.173 20 30 FEEDLO N#Cc1cccc(-c2nnc(C[N@H+]3C[C@@H](CO)[C@H](C(F)(F)F)C3)o2)c1 ZINC000602987826 673914846 /nfs/dbraw/zinc/91/48/46/673914846.db2.gz SHMKLCRGMPICLR-QWHCGFSZSA-N 1 2 352.316 2.211 20 30 FEEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3C[C@@H](CO)[C@H](C(F)(F)F)C3)o2)c1 ZINC000602987826 673914849 /nfs/dbraw/zinc/91/48/49/673914849.db2.gz SHMKLCRGMPICLR-QWHCGFSZSA-N 1 2 352.316 2.211 20 30 FEEDLO C=C(Br)CN1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001008581951 679918420 /nfs/dbraw/zinc/91/84/20/679918420.db2.gz KQJJYIXHPAFEDH-BFHYXJOUSA-N 1 2 367.291 2.013 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cc(O)ccc2Cl)C1 ZINC001015726494 680050419 /nfs/dbraw/zinc/05/04/19/680050419.db2.gz NXJOCZHVOBEDOP-LXZKKBNFSA-N 1 2 350.846 2.327 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2cc(O)ccc2Cl)C1 ZINC001015726494 680050424 /nfs/dbraw/zinc/05/04/24/680050424.db2.gz NXJOCZHVOBEDOP-LXZKKBNFSA-N 1 2 350.846 2.327 20 30 FEEDLO C=C(Cl)CN1CCCN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)CC1 ZINC000981181294 680219076 /nfs/dbraw/zinc/21/90/76/680219076.db2.gz ARJQBVRXDQTGPC-NVXWUHKLSA-N 1 2 362.905 2.441 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1C[NH+](Cc2nsc3ccccc23)C1 ZINC001031988480 680410674 /nfs/dbraw/zinc/41/06/74/680410674.db2.gz ZQUCIBXWFIMWFX-WBVHZDCISA-N 1 2 357.479 2.435 20 30 FEEDLO CN(C(=O)[C@]12C[C@H]1COC2)[C@H]1CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC001033092430 680417006 /nfs/dbraw/zinc/41/70/06/680417006.db2.gz AZJDJCOFZZEIHX-ZWOKBUDYSA-N 1 2 358.869 2.261 20 30 FEEDLO CN(C(=O)[C@]12C[C@H]1COC2)[C@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC001033092430 680417008 /nfs/dbraw/zinc/41/70/08/680417008.db2.gz AZJDJCOFZZEIHX-ZWOKBUDYSA-N 1 2 358.869 2.261 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2c(C)nn(C)c2Cl)C1 ZINC001033432642 680423191 /nfs/dbraw/zinc/42/31/91/680423191.db2.gz QBJUVJQKUISVGW-FMKPAKJESA-N 1 2 366.893 2.006 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2c(C)nn(C)c2Cl)C1 ZINC001033432642 680423195 /nfs/dbraw/zinc/42/31/95/680423195.db2.gz QBJUVJQKUISVGW-FMKPAKJESA-N 1 2 366.893 2.006 20 30 FEEDLO C=C(Br)C[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001033911687 680428314 /nfs/dbraw/zinc/42/83/14/680428314.db2.gz SSOSDUXQGRTILS-AYCBFJCHSA-N 1 2 369.303 2.241 20 30 FEEDLO C=C(Br)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001033911687 680428316 /nfs/dbraw/zinc/42/83/16/680428316.db2.gz SSOSDUXQGRTILS-AYCBFJCHSA-N 1 2 369.303 2.241 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCc1ccc(C[NH2+]Cc2nncs2)cc1 ZINC001034828904 680440764 /nfs/dbraw/zinc/44/07/64/680440764.db2.gz MLQOMYQQDHMOGS-CVEARBPZSA-N 1 2 358.467 2.035 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1CCc1c(F)cccc1F ZINC001038714668 680459758 /nfs/dbraw/zinc/45/97/58/680459758.db2.gz RZIVGVUUNKTEDX-SIIHOXLZSA-N 1 2 350.409 2.289 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1CCc1c(F)cccc1F ZINC001038714668 680459760 /nfs/dbraw/zinc/45/97/60/680459760.db2.gz RZIVGVUUNKTEDX-SIIHOXLZSA-N 1 2 350.409 2.289 20 30 FEEDLO N#Cc1c(Cl)nsc1N[C@@H]1CCCC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001045575626 680635459 /nfs/dbraw/zinc/63/54/59/680635459.db2.gz ZAFWLYCJFLXLNI-GHMZBOCLSA-N 1 2 364.862 2.473 20 30 FEEDLO C=C[C@H](OC(=O)C1CC[NH+](Cc2csc(C)n2)CC1)C(=O)OCC ZINC000842979010 680979872 /nfs/dbraw/zinc/97/98/72/680979872.db2.gz IVGOZSLMFVKYHV-HNNXBMFYSA-N 1 2 352.456 2.324 20 30 FEEDLO C=C(C)COc1cc(CN2CC[NH+](CC[S@@](C)=O)CC2)ccc1OC ZINC000769480644 680984304 /nfs/dbraw/zinc/98/43/04/680984304.db2.gz NSXZFNRDETVTEE-RUZDIDTESA-N 1 2 366.527 2.146 20 30 FEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC001051101312 681062312 /nfs/dbraw/zinc/06/23/12/681062312.db2.gz PZSMKKSMBWLJGR-RBSFLKMASA-N 1 2 350.409 2.461 20 30 FEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC001051101312 681062314 /nfs/dbraw/zinc/06/23/14/681062314.db2.gz PZSMKKSMBWLJGR-RBSFLKMASA-N 1 2 350.409 2.461 20 30 FEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC001051254603 681066513 /nfs/dbraw/zinc/06/65/13/681066513.db2.gz KUDBOBBODHHSFD-VNQPRFMTSA-N 1 2 350.409 2.461 20 30 FEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC001051254603 681066517 /nfs/dbraw/zinc/06/65/17/681066517.db2.gz KUDBOBBODHHSFD-VNQPRFMTSA-N 1 2 350.409 2.461 20 30 FEEDLO Cc1nsc(NC2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)c1C#N ZINC001057448960 681160831 /nfs/dbraw/zinc/16/08/31/681160831.db2.gz NKYKCJBQRMVFPG-CHWSQXEVSA-N 1 2 356.455 2.253 20 30 FEEDLO Cc1nsc(NC2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)c1C#N ZINC001057448960 681160833 /nfs/dbraw/zinc/16/08/33/681160833.db2.gz NKYKCJBQRMVFPG-CHWSQXEVSA-N 1 2 356.455 2.253 20 30 FEEDLO C[N@H+](CC(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1)[C@H]1CCSC1 ZINC000773977212 681162995 /nfs/dbraw/zinc/16/29/95/681162995.db2.gz UYYSHTYZPDMFNP-KBPBESRZSA-N 1 2 351.859 2.425 20 30 FEEDLO C[N@@H+](CC(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1)[C@H]1CCSC1 ZINC000773977212 681162996 /nfs/dbraw/zinc/16/29/96/681162996.db2.gz UYYSHTYZPDMFNP-KBPBESRZSA-N 1 2 351.859 2.425 20 30 FEEDLO C=C(Cl)C(C)(C)C(=O)N1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000944040514 681191207 /nfs/dbraw/zinc/19/12/07/681191207.db2.gz HMXMEUHPXSZQGC-MGPQQGTHSA-N 1 2 364.877 2.399 20 30 FEEDLO C=C(Cl)C(C)(C)C(=O)N1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000944040514 681191234 /nfs/dbraw/zinc/19/12/34/681191234.db2.gz HMXMEUHPXSZQGC-MGPQQGTHSA-N 1 2 364.877 2.399 20 30 FEEDLO C=CC1(CC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CCCCC1 ZINC000932452347 681249238 /nfs/dbraw/zinc/24/92/38/681249238.db2.gz CEGMQZCFTTZKDN-UHFFFAOYSA-N 1 2 356.532 2.138 20 30 FEEDLO O=C1C=COC2(CC[NH+](Cc3ccc(OCC(F)(F)F)nn3)CC2)C1 ZINC000933644934 681445349 /nfs/dbraw/zinc/44/53/49/681445349.db2.gz HJZQBVLIUQCFRG-UHFFFAOYSA-N 1 2 357.332 2.255 20 30 FEEDLO C#C[C@@H]1CCC[N@@H+](CN2C(=O)N[C@@](C)(c3ccc(Cl)s3)C2=O)C1 ZINC000848493371 681561357 /nfs/dbraw/zinc/56/13/57/681561357.db2.gz MKGLQZXOQYBVGU-BZNIZROVSA-N 1 2 351.859 2.471 20 30 FEEDLO C#C[C@@H]1CCC[N@H+](CN2C(=O)N[C@@](C)(c3ccc(Cl)s3)C2=O)C1 ZINC000848493371 681561358 /nfs/dbraw/zinc/56/13/58/681561358.db2.gz MKGLQZXOQYBVGU-BZNIZROVSA-N 1 2 351.859 2.471 20 30 FEEDLO C=C(Cl)C(C)(C)C(=O)N1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000952175354 681769804 /nfs/dbraw/zinc/76/98/04/681769804.db2.gz FJTPKNRZXSQFDV-BFHYXJOUSA-N 1 2 364.877 2.019 20 30 FEEDLO CC1(C)C[C@H](N[NH+]=Cc2c(Cl)nc(N)nc2N2CCCC2)CCO1 ZINC000780241390 681808483 /nfs/dbraw/zinc/80/84/83/681808483.db2.gz PGIALYCCIQPTAY-LLVKDONJSA-N 1 2 352.870 2.194 20 30 FEEDLO C#CCCCCCC(=O)N1CC[N@@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000780649958 681856964 /nfs/dbraw/zinc/85/69/64/681856964.db2.gz RYZLBRJAHITFMF-MRXNPFEDSA-N 1 2 351.491 2.237 20 30 FEEDLO C#CCCCCCC(=O)N1CC[N@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000780649958 681856971 /nfs/dbraw/zinc/85/69/71/681856971.db2.gz RYZLBRJAHITFMF-MRXNPFEDSA-N 1 2 351.491 2.237 20 30 FEEDLO Cc1[nH+]c2n(c1C)CCN(S(=O)(=O)Cc1c(C)cc(C#N)cc1C)C2 ZINC000914134586 685495714 /nfs/dbraw/zinc/49/57/14/685495714.db2.gz KNSQPZZGIOJMLH-UHFFFAOYSA-N 1 2 358.467 2.334 20 30 FEEDLO C=CC[N@H+](CC(=O)N([C@@H]1CCS(=O)(=O)C1)C1CCCCC1)C(C)C ZINC000917071363 685529359 /nfs/dbraw/zinc/52/93/59/685529359.db2.gz RSMSKYNJLILMIQ-QGZVFWFLSA-N 1 2 356.532 2.231 20 30 FEEDLO C=CC[N@@H+](CC(=O)N([C@@H]1CCS(=O)(=O)C1)C1CCCCC1)C(C)C ZINC000917071363 685529360 /nfs/dbraw/zinc/52/93/60/685529360.db2.gz RSMSKYNJLILMIQ-QGZVFWFLSA-N 1 2 356.532 2.231 20 30 FEEDLO N#Cc1sccc1N1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000852342724 682263934 /nfs/dbraw/zinc/26/39/34/682263934.db2.gz UBUFZTZRGKJECX-INIZCTEOSA-N 1 2 358.423 2.384 20 30 FEEDLO N#Cc1ccccc1S(=O)(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccccc1 ZINC000919332135 685546364 /nfs/dbraw/zinc/54/63/64/685546364.db2.gz WZWJMTPSNSZYBX-ROUUACIJSA-N 1 2 353.447 2.206 20 30 FEEDLO N#Cc1ccccc1S(=O)(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccccc1 ZINC000919332135 685546365 /nfs/dbraw/zinc/54/63/65/685546365.db2.gz WZWJMTPSNSZYBX-ROUUACIJSA-N 1 2 353.447 2.206 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@]2(C1)C[N@H+](Cc1ccsc1)CCO2 ZINC000972561379 682421786 /nfs/dbraw/zinc/42/17/86/682421786.db2.gz PSHHJZAMOUHRQY-ZIFCJYIRSA-N 1 2 362.495 2.143 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@]2(C1)C[N@@H+](Cc1ccsc1)CCO2 ZINC000972561379 682421788 /nfs/dbraw/zinc/42/17/88/682421788.db2.gz PSHHJZAMOUHRQY-ZIFCJYIRSA-N 1 2 362.495 2.143 20 30 FEEDLO CC[C@@H]([NH2+]CC1CCN(S(=O)(=O)CC)CC1)c1cccc(C#N)c1O ZINC000926160098 683085064 /nfs/dbraw/zinc/08/50/64/683085064.db2.gz NLSGJFBODJOYBA-QGZVFWFLSA-N 1 2 365.499 2.366 20 30 FEEDLO C=CC[C@H](CC)NC(=O)N1CC[N@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000798495700 683359112 /nfs/dbraw/zinc/35/91/12/683359112.db2.gz IZODKSDLSURLKL-GJZGRUSLSA-N 1 2 354.495 2.191 20 30 FEEDLO C=CC[C@H](CC)NC(=O)N1CC[N@@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000798495700 683359116 /nfs/dbraw/zinc/35/91/16/683359116.db2.gz IZODKSDLSURLKL-GJZGRUSLSA-N 1 2 354.495 2.191 20 30 FEEDLO C#CC[NH+]1CCC(NS(=O)(=O)c2cc3nc(Cl)ccc3s2)CC1 ZINC000921437477 683467695 /nfs/dbraw/zinc/46/76/95/683467695.db2.gz YDSHMULAIHNRQA-UHFFFAOYSA-N 1 2 369.899 2.326 20 30 FEEDLO C#CC1(O)CCN(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)CC1 ZINC000929331713 683580276 /nfs/dbraw/zinc/58/02/76/683580276.db2.gz KAFKLPIDOFQWDO-CQSZACIVSA-N 1 2 362.499 2.367 20 30 FEEDLO C#CC1(O)CCN(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)CC1 ZINC000929331713 683580281 /nfs/dbraw/zinc/58/02/81/683580281.db2.gz KAFKLPIDOFQWDO-CQSZACIVSA-N 1 2 362.499 2.367 20 30 FEEDLO CC(C)CC[N@H+](CCC#N)C[C@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1 ZINC000929781643 683638914 /nfs/dbraw/zinc/63/89/14/683638914.db2.gz UCWUEYNANWJLMQ-INIZCTEOSA-N 1 2 373.563 2.250 20 30 FEEDLO CC(C)CC[N@@H+](CCC#N)C[C@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1 ZINC000929781643 683638917 /nfs/dbraw/zinc/63/89/17/683638917.db2.gz UCWUEYNANWJLMQ-INIZCTEOSA-N 1 2 373.563 2.250 20 30 FEEDLO COCCC[N@H+](Cc1cc(Cl)cc(C#N)c1)[C@H]1CCS(=O)(=O)C1 ZINC000929970220 683663308 /nfs/dbraw/zinc/66/33/08/683663308.db2.gz IUSHTFSPRJKRQM-INIZCTEOSA-N 1 2 356.875 2.237 20 30 FEEDLO COCCC[N@@H+](Cc1cc(Cl)cc(C#N)c1)[C@H]1CCS(=O)(=O)C1 ZINC000929970220 683663313 /nfs/dbraw/zinc/66/33/13/683663313.db2.gz IUSHTFSPRJKRQM-INIZCTEOSA-N 1 2 356.875 2.237 20 30 FEEDLO O=C(/C=C/C[NH+]1CCOCC1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000864684730 683879702 /nfs/dbraw/zinc/87/97/02/683879702.db2.gz VHKPJZLFDWOBGN-XVNBXDOJSA-N 1 2 352.356 2.062 20 30 FEEDLO C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000868968038 684564901 /nfs/dbraw/zinc/56/49/01/684564901.db2.gz ZUUUQFRPIYJTDH-IINYFYTJSA-N 1 2 352.316 2.403 20 30 FEEDLO Cn1c[nH+]c(CCNC(=O)N[C@H](c2cccc(C#N)c2)C(F)(F)F)c1 ZINC000875658686 686058594 /nfs/dbraw/zinc/05/85/94/686058594.db2.gz BXWGGHYPDAWFJH-CQSZACIVSA-N 1 2 351.332 2.437 20 30 FEEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC([C@@H](F)C(N)=O)CC1 ZINC000879044287 686723982 /nfs/dbraw/zinc/72/39/82/686723982.db2.gz LBRATEGNOKGXLE-MEBBXXQBSA-N 1 2 366.824 2.074 20 30 FEEDLO N#Cc1ncn(CC[NH2+]Cc2cc(Cl)cc(Br)c2O)n1 ZINC000883118483 687570334 /nfs/dbraw/zinc/57/03/34/687570334.db2.gz XTVCXARVYZCISJ-UHFFFAOYSA-N 1 2 356.611 2.061 20 30 FEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000884144330 687799740 /nfs/dbraw/zinc/79/97/40/687799740.db2.gz HJZHOOVTQIUUCY-GJZGRUSLSA-N 1 2 368.886 2.403 20 30 FEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC(c1cccs1)c1cccs1 ZINC000884148331 687800464 /nfs/dbraw/zinc/80/04/64/687800464.db2.gz IELHSLGJMXEIGB-NSHDSACASA-N 1 2 350.465 2.462 20 30 FEEDLO C#CCC[NH+]1CCN(C(=O)c2ccc(Cn3cc(Cl)cn3)s2)CC1 ZINC000906484235 691276049 /nfs/dbraw/zinc/27/60/49/691276049.db2.gz UUPYPLSLSQMWSN-UHFFFAOYSA-N 1 2 362.886 2.427 20 30 FEEDLO COc1ccccc1C[NH+]1CCN(C(=O)COc2ccccc2C#N)CC1 ZINC000076227640 542247833 /nfs/dbraw/zinc/24/78/33/542247833.db2.gz XTBVRXLQNPIKGP-UHFFFAOYSA-N 1 2 365.433 2.290 20 30 FEEDLO COc1ccc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(O)c1 ZINC000017842983 539644151 /nfs/dbraw/zinc/64/41/51/539644151.db2.gz KRGVQYIMVQOMDW-UHFFFAOYSA-N 1 2 351.406 2.230 20 30 FEEDLO Cn1cc[nH+]c1[C@@H](NS(=O)(=O)c1cccc(C#N)c1)c1cccc(F)c1 ZINC000017521961 539642018 /nfs/dbraw/zinc/64/20/18/539642018.db2.gz BCMJMJNTJWPLJF-KRWDZBQOSA-N 1 2 370.409 2.499 20 30 FEEDLO C[C@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN(Cc3cc(C#N)ccc3F)CC2)C1 ZINC000022848204 539700577 /nfs/dbraw/zinc/70/05/77/539700577.db2.gz XOLZTFQPPSWPNI-IRXDYDNUSA-N 1 2 372.488 2.319 20 30 FEEDLO C[C@H](C(=O)NC(C)(C)C)[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000027105285 539800713 /nfs/dbraw/zinc/80/07/13/539800713.db2.gz USFVJQJCPYWIPN-CYBMUJFWSA-N 1 2 371.441 2.231 20 30 FEEDLO CC[C@@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000029445013 539853627 /nfs/dbraw/zinc/85/36/27/539853627.db2.gz XXNVZGDMHOOGQJ-SJLPKXTDSA-N 1 2 355.486 2.255 20 30 FEEDLO CC(=O)c1ccccc1OCC[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000029445276 539853694 /nfs/dbraw/zinc/85/36/94/539853694.db2.gz UCKHEUVPFITWTP-UHFFFAOYSA-N 1 2 350.422 2.357 20 30 FEEDLO C[C@@H]1C[NH+](Cc2ccc(C(=O)Nc3nc(C#N)c(C#N)[nH]3)cc2)C[C@@H](C)O1 ZINC000029711650 539862232 /nfs/dbraw/zinc/86/22/32/539862232.db2.gz XJIPLNSKUNFVIB-CHWSQXEVSA-N 1 2 364.409 2.015 20 30 FEEDLO N#Cc1ccc(NC(=O)C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000041550538 540024799 /nfs/dbraw/zinc/02/47/99/540024799.db2.gz LRQAQANHEPZPTL-UHFFFAOYSA-N 1 2 359.389 2.058 20 30 FEEDLO C#CCNC(=O)[C@H](C)Sc1nnc(C[NH+]2CCCC2)n1-c1ccccc1 ZINC000042101143 540050965 /nfs/dbraw/zinc/05/09/65/540050965.db2.gz UDZRTZPODIPBGF-HNNXBMFYSA-N 1 2 369.494 2.093 20 30 FEEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000042354557 540060001 /nfs/dbraw/zinc/06/00/01/540060001.db2.gz UDIXBBUKPQNZBT-GOSISDBHSA-N 1 2 354.498 2.489 20 30 FEEDLO C=C(C)CN(CC)C(=O)[C@@H](C)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000042354557 540060003 /nfs/dbraw/zinc/06/00/03/540060003.db2.gz UDIXBBUKPQNZBT-GOSISDBHSA-N 1 2 354.498 2.489 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCC(n2c3ccccc3[nH]c2=O)CC1 ZINC000045513402 540215588 /nfs/dbraw/zinc/21/55/88/540215588.db2.gz CLRYGRJMKNISDP-FQEVSTJZSA-N 1 2 369.469 2.021 20 30 FEEDLO C[C@H](NC(=O)NCc1ccc(N2CCOCC2)[nH+]c1)c1ccc(C#N)cc1 ZINC000047955940 540337014 /nfs/dbraw/zinc/33/70/14/540337014.db2.gz YUGMPSLPHXCRKM-HNNXBMFYSA-N 1 2 365.437 2.350 20 30 FEEDLO N#Cc1ccsc1C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000052029746 540452037 /nfs/dbraw/zinc/45/20/37/540452037.db2.gz XFWRRXUHURAHEI-UHFFFAOYSA-N 1 2 368.462 2.453 20 30 FEEDLO Cc1nc(CC(N)=[NH+]OCC(=O)N(Cc2ccccc2)C2CC2)cs1 ZINC000063456773 541168777 /nfs/dbraw/zinc/16/87/77/541168777.db2.gz VWIPIIJMXRWWKX-UHFFFAOYSA-N 1 2 358.467 2.474 20 30 FEEDLO C[C@@H]1CCC[C@H](NC(=O)C[NH+]2CCN(Cc3ccccc3C#N)CC2)C1 ZINC000066566623 541337529 /nfs/dbraw/zinc/33/75/29/541337529.db2.gz SWAYFGFOGRFOIV-XLIONFOSSA-N 1 2 354.498 2.371 20 30 FEEDLO CC(=O)NC[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000067413958 541459953 /nfs/dbraw/zinc/45/99/53/541459953.db2.gz HIBSORSWAXKPCN-TZMCWYRMSA-N 1 2 374.510 2.284 20 30 FEEDLO CC(=O)NC[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000067413958 541459955 /nfs/dbraw/zinc/45/99/55/541459955.db2.gz HIBSORSWAXKPCN-TZMCWYRMSA-N 1 2 374.510 2.284 20 30 FEEDLO C=CCOc1cccc(NC(=O)C(=O)NCC[NH+]2Cc3ccccc3C2)c1 ZINC000068686164 541619983 /nfs/dbraw/zinc/61/99/83/541619983.db2.gz NLILMEAVOXKCPY-UHFFFAOYSA-N 1 2 365.433 2.322 20 30 FEEDLO C=CC[N@H+](CC(=O)NC1CCC2(CC1)OCCO2)Cc1cccc(C#N)c1 ZINC000068826840 541633204 /nfs/dbraw/zinc/63/32/04/541633204.db2.gz VMHCTQMSKWWBPV-UHFFFAOYSA-N 1 2 369.465 2.348 20 30 FEEDLO C=CC[N@@H+](CC(=O)NC1CCC2(CC1)OCCO2)Cc1cccc(C#N)c1 ZINC000068826840 541633206 /nfs/dbraw/zinc/63/32/06/541633206.db2.gz VMHCTQMSKWWBPV-UHFFFAOYSA-N 1 2 369.465 2.348 20 30 FEEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CCN(c2ncccn2)CC1 ZINC000071832614 541773760 /nfs/dbraw/zinc/77/37/60/541773760.db2.gz BKYJAWWKCXIJKI-MRXNPFEDSA-N 1 2 371.510 2.263 20 30 FEEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3CCCN(c4ncccn4)CC3)o2)cc1 ZINC000072631964 541841279 /nfs/dbraw/zinc/84/12/79/541841279.db2.gz XSCSYLIFHUOVIG-UHFFFAOYSA-N 1 2 361.409 2.111 20 30 FEEDLO N#Cc1ccc(-c2nnc(C[N@H+]3CCCN(c4ncccn4)CC3)o2)cc1 ZINC000072631964 541841283 /nfs/dbraw/zinc/84/12/83/541841283.db2.gz XSCSYLIFHUOVIG-UHFFFAOYSA-N 1 2 361.409 2.111 20 30 FEEDLO C=CC[NH+](CC=C)CC(=O)NCC(=O)Nc1ccccc1Br ZINC000072938974 541894615 /nfs/dbraw/zinc/89/46/15/541894615.db2.gz RLGOMMSXALKFSW-UHFFFAOYSA-N 1 2 366.259 2.178 20 30 FEEDLO C=C(C)C[NH+]1CCN(S(=O)(=O)c2ccc(OCC)c(OCC)c2)CC1 ZINC000073108126 541919032 /nfs/dbraw/zinc/91/90/32/541919032.db2.gz NJXYXYZOZWUASS-UHFFFAOYSA-N 1 2 368.499 2.366 20 30 FEEDLO N#Cc1cccnc1N1CC[NH+]([C@H](C(=O)NC2CC2)c2ccccc2)CC1 ZINC000073108528 541919481 /nfs/dbraw/zinc/91/94/81/541919481.db2.gz QEQISRNQOOBRSR-IBGZPJMESA-N 1 2 361.449 2.095 20 30 FEEDLO Cc1cccn2cc(CN3C(=O)N[C@@](C)(c4ccc(C#N)cc4)C3=O)[nH+]c12 ZINC000073415408 541951275 /nfs/dbraw/zinc/95/12/75/541951275.db2.gz UXYQQSCCRIRILC-FQEVSTJZSA-N 1 2 359.389 2.482 20 30 FEEDLO N#Cc1cccc(-c2nnc(C[N@H+]3CCC[C@H](N4CCCC4=O)C3)o2)c1 ZINC000075738333 542201511 /nfs/dbraw/zinc/20/15/11/542201511.db2.gz BZXGMZOVEJHLEJ-INIZCTEOSA-N 1 2 351.410 2.195 20 30 FEEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3CCC[C@H](N4CCCC4=O)C3)o2)c1 ZINC000075738333 542201514 /nfs/dbraw/zinc/20/15/14/542201514.db2.gz BZXGMZOVEJHLEJ-INIZCTEOSA-N 1 2 351.410 2.195 20 30 FEEDLO C[C@H]1CN(c2ccc(CNc3ncc([N+](=O)[O-])cc3C#N)c[nH+]2)C[C@H](C)O1 ZINC000076777354 542322033 /nfs/dbraw/zinc/32/20/33/542322033.db2.gz WTSZNRXGEXSEOX-STQMWFEESA-N 1 2 368.397 2.482 20 30 FEEDLO CC1CCC(NC(=O)CN2CC[NH+](Cc3cccc(C#N)c3)CC2)CC1 ZINC000077382232 542375718 /nfs/dbraw/zinc/37/57/18/542375718.db2.gz UHHJQTNDAXVFCR-UHFFFAOYSA-N 1 2 354.498 2.371 20 30 FEEDLO CCC(=O)N1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000077388875 542376966 /nfs/dbraw/zinc/37/69/66/542376966.db2.gz XKNMXYJDNKETDI-CYBMUJFWSA-N 1 2 362.861 2.483 20 30 FEEDLO CCC(=O)N1CCC[N@H+]([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000077388875 542376971 /nfs/dbraw/zinc/37/69/71/542376971.db2.gz XKNMXYJDNKETDI-CYBMUJFWSA-N 1 2 362.861 2.483 20 30 FEEDLO C[C@H](C#N)OCC[NH+]1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000801911365 674154369 /nfs/dbraw/zinc/15/43/69/674154369.db2.gz YHQHYHABQXLXNZ-CYBMUJFWSA-N 1 2 355.360 2.392 20 30 FEEDLO C=CCOCCCC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000079399918 542516017 /nfs/dbraw/zinc/51/60/17/542516017.db2.gz VEWMQSLHRCATTM-UHFFFAOYSA-N 1 2 359.470 2.189 20 30 FEEDLO N#CCSc1cccc(C(=O)NCc2cc[nH+]c(N3CCOCC3)c2)c1 ZINC000079400675 542517008 /nfs/dbraw/zinc/51/70/08/542517008.db2.gz LLAUGAVEFPYMJE-UHFFFAOYSA-N 1 2 368.462 2.464 20 30 FEEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000079850556 542545343 /nfs/dbraw/zinc/54/53/43/542545343.db2.gz SJKQKHZZDLOIIJ-INIZCTEOSA-N 1 2 362.905 2.466 20 30 FEEDLO CCN(C[C@@H](C)C#N)C(=O)CN1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000079850556 542545347 /nfs/dbraw/zinc/54/53/47/542545347.db2.gz SJKQKHZZDLOIIJ-INIZCTEOSA-N 1 2 362.905 2.466 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000081515520 542661982 /nfs/dbraw/zinc/66/19/82/542661982.db2.gz OVDBPWPVQGDHLR-UHFFFAOYSA-N 1 2 352.822 2.296 20 30 FEEDLO N#CCC[N@@H+](CCC(=O)NC(=O)NCc1ccccc1)Cc1ccco1 ZINC000081518280 542663009 /nfs/dbraw/zinc/66/30/09/542663009.db2.gz LCRHCYZZFCJRDX-UHFFFAOYSA-N 1 2 354.410 2.411 20 30 FEEDLO N#CCC[N@H+](CCC(=O)NC(=O)NCc1ccccc1)Cc1ccco1 ZINC000081518280 542663012 /nfs/dbraw/zinc/66/30/12/542663012.db2.gz LCRHCYZZFCJRDX-UHFFFAOYSA-N 1 2 354.410 2.411 20 30 FEEDLO CO/N=C/c1ccc(C(=O)N2CC[NH+](Cc3cccc(O)c3)CC2)cc1 ZINC000086247252 542734624 /nfs/dbraw/zinc/73/46/24/542734624.db2.gz ZOFMRGYUFGRXRZ-KGENOOAVSA-N 1 2 353.422 2.331 20 30 FEEDLO N#Cc1ccc(OC2CCC(NC(=O)[C@@H]3CCn4c[nH+]cc4C3)CC2)nc1 ZINC000092035165 542839296 /nfs/dbraw/zinc/83/92/96/542839296.db2.gz SPTDSBRWGNSNTK-KLHKWILBSA-N 1 2 365.437 2.219 20 30 FEEDLO CC1(C)CN(S(=O)(=O)c2ccc(C#N)nc2)CC[N@@H+]1Cc1ccccc1 ZINC000104765741 543143154 /nfs/dbraw/zinc/14/31/54/543143154.db2.gz BORNYFFWAWQDHD-UHFFFAOYSA-N 1 2 370.478 2.238 20 30 FEEDLO CC1(C)CN(S(=O)(=O)c2ccc(C#N)nc2)CC[N@H+]1Cc1ccccc1 ZINC000104765741 543143157 /nfs/dbraw/zinc/14/31/57/543143157.db2.gz BORNYFFWAWQDHD-UHFFFAOYSA-N 1 2 370.478 2.238 20 30 FEEDLO CNC(=O)[C@@H]1CCCC[N@@H+]1CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000104950927 543152434 /nfs/dbraw/zinc/15/24/34/543152434.db2.gz NWTNOURKSUZMBN-SFHVURJKSA-N 1 2 356.470 2.151 20 30 FEEDLO CNC(=O)[C@@H]1CCCC[N@H+]1CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000104950927 543152435 /nfs/dbraw/zinc/15/24/35/543152435.db2.gz NWTNOURKSUZMBN-SFHVURJKSA-N 1 2 356.470 2.151 20 30 FEEDLO C=CCn1c(C)cc(C(=O)CN2CCN(Cc3[nH+]ccn3C)CC2)c1C ZINC000106440820 543230125 /nfs/dbraw/zinc/23/01/25/543230125.db2.gz IYWZVDYKKLWWRX-UHFFFAOYSA-N 1 2 355.486 2.025 20 30 FEEDLO CCOc1cccc(N2CC[NH+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC2)n1 ZINC000106873572 543252557 /nfs/dbraw/zinc/25/25/57/543252557.db2.gz ALXWAOLULZJRQD-OXQOHEQNSA-N 1 2 373.501 2.045 20 30 FEEDLO CC[NH+]1CCN(C(=O)C(=O)Nc2ccccc2SC[C@@H](C)C#N)CC1 ZINC000108608474 543297474 /nfs/dbraw/zinc/29/74/74/543297474.db2.gz DQYDYCVXLZZNSO-AWEZNQCLSA-N 1 2 360.483 2.041 20 30 FEEDLO C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)[N@@H+]1CC(=O)N(CCC#N)CCC#N ZINC000110033633 543347007 /nfs/dbraw/zinc/34/70/07/543347007.db2.gz BWVGBXNKEBBOOB-UWVAXJGDSA-N 1 2 354.454 2.493 20 30 FEEDLO C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)[N@H+]1CC(=O)N(CCC#N)CCC#N ZINC000110033633 543347010 /nfs/dbraw/zinc/34/70/10/543347010.db2.gz BWVGBXNKEBBOOB-UWVAXJGDSA-N 1 2 354.454 2.493 20 30 FEEDLO N#CCOc1ccc(CC(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1 ZINC000110193363 543351304 /nfs/dbraw/zinc/35/13/04/543351304.db2.gz IKLPTNWELPTOOU-UHFFFAOYSA-N 1 2 350.422 2.443 20 30 FEEDLO N#Cc1ccc(CNC(=O)c2cccc(C[NH+]3CCOCC3)c2)c(F)c1 ZINC000110719881 543366238 /nfs/dbraw/zinc/36/62/38/543366238.db2.gz PIEWTHBPCWCBRT-UHFFFAOYSA-N 1 2 353.397 2.460 20 30 FEEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H](N3CCCC3=O)C2)cc1Cl ZINC000111293316 543393435 /nfs/dbraw/zinc/39/34/35/543393435.db2.gz XNUFGDGIQBMVBU-HNNXBMFYSA-N 1 2 360.845 2.237 20 30 FEEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@H](N3CCCC3=O)C2)cc1Cl ZINC000111293316 543393437 /nfs/dbraw/zinc/39/34/37/543393437.db2.gz XNUFGDGIQBMVBU-HNNXBMFYSA-N 1 2 360.845 2.237 20 30 FEEDLO C[N@H+](CCN1CCCC1=O)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000112995183 543471766 /nfs/dbraw/zinc/47/17/66/543471766.db2.gz UBUSCSZOISGPGA-UHFFFAOYSA-N 1 2 352.438 2.292 20 30 FEEDLO C[N@@H+](CCN1CCCC1=O)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000112995183 543471770 /nfs/dbraw/zinc/47/17/70/543471770.db2.gz UBUSCSZOISGPGA-UHFFFAOYSA-N 1 2 352.438 2.292 20 30 FEEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC(C)C)CC1 ZINC000802665056 674190980 /nfs/dbraw/zinc/19/09/80/674190980.db2.gz KVSRAAZDSFMBFJ-UHFFFAOYSA-N 1 2 358.877 2.405 20 30 FEEDLO C=CCCO[C@H](C)C(=O)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000115998643 543595537 /nfs/dbraw/zinc/59/55/37/543595537.db2.gz OZLQXBUEAFSZKP-MRXNPFEDSA-N 1 2 360.454 2.083 20 30 FEEDLO C=CCCC[N@@H+](C)CC(=O)N([C@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000121082116 543688338 /nfs/dbraw/zinc/68/83/38/543688338.db2.gz UHKQRCACMHJDQK-KRWDZBQOSA-N 1 2 356.532 2.233 20 30 FEEDLO C=CCCC[N@H+](C)CC(=O)N([C@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000121082116 543688341 /nfs/dbraw/zinc/68/83/41/543688341.db2.gz UHKQRCACMHJDQK-KRWDZBQOSA-N 1 2 356.532 2.233 20 30 FEEDLO C=CCCS(=O)(=O)N[C@@H](CC)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000121634412 543697862 /nfs/dbraw/zinc/69/78/62/543697862.db2.gz ZOLOAHSOKRUBDY-ROUUACIJSA-N 1 2 352.500 2.162 20 30 FEEDLO C=CCCS(=O)(=O)N[C@@H](CC)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000121634412 543697865 /nfs/dbraw/zinc/69/78/65/543697865.db2.gz ZOLOAHSOKRUBDY-ROUUACIJSA-N 1 2 352.500 2.162 20 30 FEEDLO COc1cc(C[NH+]2CCN(c3ncccc3C#N)CC2)cc2c1OCO2 ZINC000122901562 543730320 /nfs/dbraw/zinc/73/03/20/543730320.db2.gz WYNZMLCKTYPGFX-UHFFFAOYSA-N 1 2 352.394 2.013 20 30 FEEDLO COc1ccccc1NC(=O)CN1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000124153091 543803927 /nfs/dbraw/zinc/80/39/27/543803927.db2.gz UOZLYRRZEQLKKC-UHFFFAOYSA-N 1 2 364.449 2.323 20 30 FEEDLO C=CCCOCCNC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(OC)cc1 ZINC000127394315 543990363 /nfs/dbraw/zinc/99/03/63/543990363.db2.gz ADPDBSXKIUXHII-KRWDZBQOSA-N 1 2 358.442 2.410 20 30 FEEDLO CC[N@H+](CC(=O)Nc1c(C)cccc1C)CC(=O)N(CCC#N)CCC#N ZINC000130036208 544136102 /nfs/dbraw/zinc/13/61/02/544136102.db2.gz ATIBFAPPBMMCDT-UHFFFAOYSA-N 1 2 369.469 2.220 20 30 FEEDLO CC[N@@H+](CC(=O)Nc1c(C)cccc1C)CC(=O)N(CCC#N)CCC#N ZINC000130036208 544136105 /nfs/dbraw/zinc/13/61/05/544136105.db2.gz ATIBFAPPBMMCDT-UHFFFAOYSA-N 1 2 369.469 2.220 20 30 FEEDLO N#CCOc1cccc(CC(=O)N[C@H]2CCCN(c3cccc[nH+]3)C2)c1 ZINC000130266034 544144861 /nfs/dbraw/zinc/14/48/61/544144861.db2.gz SFTCIEDPBAKHDZ-KRWDZBQOSA-N 1 2 350.422 2.312 20 30 FEEDLO CSc1[nH]c(=O)c(C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)cc1C#N ZINC000132383706 544229493 /nfs/dbraw/zinc/22/94/93/544229493.db2.gz HGGVNFMOILTPAC-AWEZNQCLSA-N 1 2 360.483 2.059 20 30 FEEDLO C=C(C)COCCNC(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000134999202 544330764 /nfs/dbraw/zinc/33/07/64/544330764.db2.gz BADJRGXKDRCNBJ-HNNXBMFYSA-N 1 2 353.488 2.013 20 30 FEEDLO N#Cc1ccsc1N1CC[C@H]([NH+]2CCC([C@@H](O)C(F)(F)F)CC2)C1=O ZINC000141104845 544411205 /nfs/dbraw/zinc/41/12/05/544411205.db2.gz LIEFVPBXTYFTOO-QWHCGFSZSA-N 1 2 373.400 2.360 20 30 FEEDLO CCC[C@@H]1C(=O)NCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000152355706 544642769 /nfs/dbraw/zinc/64/27/69/544642769.db2.gz TYUGVWPKEOJDTJ-OAHLLOKOSA-N 1 2 374.510 2.428 20 30 FEEDLO CCC[C@@H]1C(=O)NCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000152355706 544642773 /nfs/dbraw/zinc/64/27/73/544642773.db2.gz TYUGVWPKEOJDTJ-OAHLLOKOSA-N 1 2 374.510 2.428 20 30 FEEDLO CC#CCC[NH+]1CCN(S(=O)(=O)c2cccc3cc(C)cnc32)CC1 ZINC000155061529 544983439 /nfs/dbraw/zinc/98/34/39/544983439.db2.gz UVPQFRNBZMOWOB-UHFFFAOYSA-N 1 2 357.479 2.263 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)Cc1cn(C)nc1C(F)(F)F ZINC000155068836 544983723 /nfs/dbraw/zinc/98/37/23/544983723.db2.gz XPKBTRFPTOZADY-ABAIWWIYSA-N 1 2 359.396 2.314 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)Cc1cn(C)nc1C(F)(F)F ZINC000155068836 544983728 /nfs/dbraw/zinc/98/37/28/544983728.db2.gz XPKBTRFPTOZADY-ABAIWWIYSA-N 1 2 359.396 2.314 20 30 FEEDLO C[C@H]1CN(c2ccc(CNC(=O)c3cccc(F)c3C#N)c[nH+]2)CCO1 ZINC000186727397 327978722 /nfs/dbraw/zinc/97/87/22/327978722.db2.gz TXCGUZLFHTXAGD-ZDUSSCGKSA-N 1 2 354.385 2.247 20 30 FEEDLO CCOC(=O)CNC(=O)C1CC[NH+](Cc2ccc(Cl)cc2C#N)CC1 ZINC000187303710 328014692 /nfs/dbraw/zinc/01/46/92/328014692.db2.gz PVFGAPNOHBHXCN-UHFFFAOYSA-N 1 2 363.845 2.103 20 30 FEEDLO COCC(=O)N1CCc2cc(NCc3c[nH+]c4ccc(C#N)cn34)ccc21 ZINC000189311067 328140422 /nfs/dbraw/zinc/14/04/22/328140422.db2.gz FWDKAZQMIARTPD-UHFFFAOYSA-N 1 2 361.405 2.354 20 30 FEEDLO C[C@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN(Cc3ccc(C#N)c(F)c3)CC2)C1 ZINC000191918102 328288644 /nfs/dbraw/zinc/28/86/44/328288644.db2.gz OCHGSSCPPLJARZ-IRXDYDNUSA-N 1 2 372.488 2.319 20 30 FEEDLO COc1cc(OC)c(OC)cc1C[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000193853547 328399060 /nfs/dbraw/zinc/39/90/60/328399060.db2.gz AYXWFBILNJJLRG-UHFFFAOYSA-N 1 2 368.437 2.301 20 30 FEEDLO Cc1cccc2[nH+]c(CN3C(=O)N[C@@](C)(c4ccc(C#N)cc4)C3=O)cn21 ZINC000076422195 324942846 /nfs/dbraw/zinc/94/28/46/324942846.db2.gz TWWDDGPDUGIOIS-FQEVSTJZSA-N 1 2 359.389 2.482 20 30 FEEDLO C[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)Cc1ccc2c(c1)OCO2 ZINC000081512359 325179449 /nfs/dbraw/zinc/17/94/49/325179449.db2.gz IZEVBWGIMCMLKI-UHFFFAOYSA-N 1 2 358.419 2.193 20 30 FEEDLO C[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)Cc1ccc2c(c1)OCO2 ZINC000081512359 325179451 /nfs/dbraw/zinc/17/94/51/325179451.db2.gz IZEVBWGIMCMLKI-UHFFFAOYSA-N 1 2 358.419 2.193 20 30 FEEDLO COC(=O)[C@H](c1cccc(C#N)c1)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000083220624 325216549 /nfs/dbraw/zinc/21/65/49/325216549.db2.gz YTNHBBFHBZAXPB-FQEVSTJZSA-N 1 2 365.433 2.296 20 30 FEEDLO CSc1[nH]c(=O)c(C(=O)N(CC[NH+](C)C)Cc2ccco2)cc1C#N ZINC000088463356 325294956 /nfs/dbraw/zinc/29/49/56/325294956.db2.gz RHPPSCPZAHRBRP-UHFFFAOYSA-N 1 2 360.439 2.178 20 30 FEEDLO N#Cc1ccc(N2CC[NH+](CC(=O)N3CCc4ccccc43)CC2)c(F)c1 ZINC000110195924 325684969 /nfs/dbraw/zinc/68/49/69/325684969.db2.gz GMNSHPABVHRAJI-UHFFFAOYSA-N 1 2 364.424 2.409 20 30 FEEDLO N#Cc1cnn(-c2ccc(C(=O)N3CC[C@H](Oc4cc[nH+]cc4)C3)cc2)c1N ZINC000121188980 326320360 /nfs/dbraw/zinc/32/03/60/326320360.db2.gz OFXQYMYIUBHSSU-SFHVURJKSA-N 1 2 374.404 2.015 20 30 FEEDLO C[C@H](c1nc(-c2ccccc2)no1)[NH+]1CCN(c2cnc(C#N)cn2)CC1 ZINC000121406092 326336454 /nfs/dbraw/zinc/33/64/54/326336454.db2.gz VBRRMKSSSLXANQ-CQSZACIVSA-N 1 2 361.409 2.281 20 30 FEEDLO Cc1oc(NC(=O)[C@@H](C)N2CC[NH+](Cc3ccncc3)CC2)c(C#N)c1C ZINC000124442740 326454017 /nfs/dbraw/zinc/45/40/17/326454017.db2.gz OTMJLYMOJDNVHX-OAHLLOKOSA-N 1 2 367.453 2.308 20 30 FEEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCN(c2cccnn2)CC1 ZINC000170649893 327091146 /nfs/dbraw/zinc/09/11/46/327091146.db2.gz PUWCCXZFLXGAFP-ZDUSSCGKSA-N 1 2 370.844 2.151 20 30 FEEDLO N#Cc1ccc(CNC(=O)N2CCC[N@H+](Cc3cscn3)CC2)cc1 ZINC000171158214 327121283 /nfs/dbraw/zinc/12/12/83/327121283.db2.gz HBDYISGQNPGFHN-UHFFFAOYSA-N 1 2 355.467 2.432 20 30 FEEDLO N#Cc1ccc(CNC(=O)N2CCC[N@@H+](Cc3cscn3)CC2)cc1 ZINC000171158214 327121285 /nfs/dbraw/zinc/12/12/85/327121285.db2.gz HBDYISGQNPGFHN-UHFFFAOYSA-N 1 2 355.467 2.432 20 30 FEEDLO N#Cc1cc(F)ccc1CN1CC[NH+](CC(=O)NC2CCCCC2)CC1 ZINC000171392792 327136481 /nfs/dbraw/zinc/13/64/81/327136481.db2.gz CQYRWTQSISOTHV-UHFFFAOYSA-N 1 2 358.461 2.264 20 30 FEEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000266409511 329220195 /nfs/dbraw/zinc/22/01/95/329220195.db2.gz QSWWVVNMHGDVTL-NSHDSACASA-N 1 2 356.348 2.419 20 30 FEEDLO CC[N@@H+]1CCO[C@@H](C(=O)OCc2ccc(C#N)cc2Br)C1 ZINC000805470430 674338526 /nfs/dbraw/zinc/33/85/26/674338526.db2.gz SHRBLPJIVCKVDL-CQSZACIVSA-N 1 2 353.216 2.085 20 30 FEEDLO CC[N@H+]1CCO[C@@H](C(=O)OCc2ccc(C#N)cc2Br)C1 ZINC000805470430 674338528 /nfs/dbraw/zinc/33/85/28/674338528.db2.gz SHRBLPJIVCKVDL-CQSZACIVSA-N 1 2 353.216 2.085 20 30 FEEDLO Cn1c2c([nH+]c1[C@@H]1CCCN1CC(=O)N[C@](C)(C#N)C1CC1)CCCC2 ZINC000275569602 527093298 /nfs/dbraw/zinc/09/32/98/527093298.db2.gz FFRUBXQRFZIFLJ-FXAWDEMLSA-N 1 2 355.486 2.244 20 30 FEEDLO N#Cc1ccc(NCC(=O)N2CC[NH+](Cc3ccc(Cl)cc3)CC2)nc1 ZINC000498076853 538807427 /nfs/dbraw/zinc/80/74/27/538807427.db2.gz UCTQHGUGGNFJTH-UHFFFAOYSA-N 1 2 369.856 2.363 20 30 FEEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+](CCO)[C@@H]2CCc3ccccc32)c1 ZINC000156828197 545665759 /nfs/dbraw/zinc/66/57/59/545665759.db2.gz VJHTZUGBCXMNNQ-HXUWFJFHSA-N 1 2 370.474 2.314 20 30 FEEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+](CCO)[C@@H]2CCc3ccccc32)c1 ZINC000156828197 545665765 /nfs/dbraw/zinc/66/57/65/545665765.db2.gz VJHTZUGBCXMNNQ-HXUWFJFHSA-N 1 2 370.474 2.314 20 30 FEEDLO Cc1cc(C)n(-c2ccc(C(N)=[NH+]OCCCOCC(F)(F)F)cn2)n1 ZINC000156963241 545683073 /nfs/dbraw/zinc/68/30/73/545683073.db2.gz NLWIEPHXUQJZLW-UHFFFAOYSA-N 1 2 371.363 2.490 20 30 FEEDLO C=CCOc1ccc(C[N@H+](C2CC2)[C@H]2CCS(=O)(=O)C2)cc1OC ZINC000157052080 545694232 /nfs/dbraw/zinc/69/42/32/545694232.db2.gz GUJOKONISFBFGW-INIZCTEOSA-N 1 2 351.468 2.412 20 30 FEEDLO C=CCOc1ccc(C[N@@H+](C2CC2)[C@H]2CCS(=O)(=O)C2)cc1OC ZINC000157052080 545694235 /nfs/dbraw/zinc/69/42/35/545694235.db2.gz GUJOKONISFBFGW-INIZCTEOSA-N 1 2 351.468 2.412 20 30 FEEDLO C=CCNC(=O)C[NH+]1CCN(Cc2csc(-c3ccccc3F)n2)CC1 ZINC000477684229 561151060 /nfs/dbraw/zinc/15/10/60/561151060.db2.gz XDTVXJSKZXQNIP-UHFFFAOYSA-N 1 2 374.485 2.369 20 30 FEEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCO[C@H](COCC)C1 ZINC000528724693 562344039 /nfs/dbraw/zinc/34/40/39/562344039.db2.gz USZJGMVICTUYDC-HOTGVXAUSA-N 1 2 352.500 2.389 20 30 FEEDLO C=CC1CCN(C(=O)C(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)CC1 ZINC000478046799 561159091 /nfs/dbraw/zinc/15/90/91/561159091.db2.gz DTADZYOSXPVIEM-INIZCTEOSA-N 1 2 371.481 2.443 20 30 FEEDLO COc1cc2c(cc1C[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)O[C@H](C)C2 ZINC000158882910 545902916 /nfs/dbraw/zinc/90/29/16/545902916.db2.gz NRJWYERWDROVBS-CWTRNNRKSA-N 1 2 351.406 2.206 20 30 FEEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C[C@H](C)c2ccc(CC)cc2)CC1 ZINC000159069196 545918598 /nfs/dbraw/zinc/91/85/98/545918598.db2.gz HQGWTDAYMRQWKV-SFHVURJKSA-N 1 2 369.509 2.026 20 30 FEEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C[C@H](C)c2ccc(CC)cc2)CC1 ZINC000159069196 545918601 /nfs/dbraw/zinc/91/86/01/545918601.db2.gz HQGWTDAYMRQWKV-SFHVURJKSA-N 1 2 369.509 2.026 20 30 FEEDLO N#CCCN(C(=O)CN1CC[NH+](Cc2ccncc2)CC1)c1ccccc1 ZINC000161145421 546103917 /nfs/dbraw/zinc/10/39/17/546103917.db2.gz OLIZTBKJWOPHPT-UHFFFAOYSA-N 1 2 363.465 2.146 20 30 FEEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000170836940 546179731 /nfs/dbraw/zinc/17/97/31/546179731.db2.gz AIBKPMYAHKILEN-UHFFFAOYSA-N 1 2 356.470 2.367 20 30 FEEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000170836940 546179736 /nfs/dbraw/zinc/17/97/36/546179736.db2.gz AIBKPMYAHKILEN-UHFFFAOYSA-N 1 2 356.470 2.367 20 30 FEEDLO COc1ccccc1C[NH+]1CCN(C(=O)c2ccc(C#N)c(C)n2)CC1 ZINC000171110914 546190446 /nfs/dbraw/zinc/19/04/46/546190446.db2.gz NDNYBCOUYZSDFX-UHFFFAOYSA-N 1 2 350.422 2.228 20 30 FEEDLO C[C@H](ON=C(N)c1cccc(C[NH+]2CCOCC2)c1)c1nc(C2CC2)no1 ZINC000174131804 546291721 /nfs/dbraw/zinc/29/17/21/546291721.db2.gz LIVIJUVPQOHDPU-ZDUSSCGKSA-N 1 2 371.441 2.177 20 30 FEEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cc(F)cc2c1OCOC2 ZINC000176374521 546437210 /nfs/dbraw/zinc/43/72/10/546437210.db2.gz NVGXMAPAZHHESL-CYBMUJFWSA-N 1 2 369.400 2.065 20 30 FEEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cc(F)cc2c1OCOC2 ZINC000176374521 546437213 /nfs/dbraw/zinc/43/72/13/546437213.db2.gz NVGXMAPAZHHESL-CYBMUJFWSA-N 1 2 369.400 2.065 20 30 FEEDLO C[N@H+](C[C@@H]1COc2ccccc2O1)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000176985940 546519586 /nfs/dbraw/zinc/51/95/86/546519586.db2.gz PDBLHNDRTWJIKP-HUUCEWRRSA-N 1 2 369.446 2.497 20 30 FEEDLO C[N@@H+](C[C@@H]1COc2ccccc2O1)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000176985940 546519592 /nfs/dbraw/zinc/51/95/92/546519592.db2.gz PDBLHNDRTWJIKP-HUUCEWRRSA-N 1 2 369.446 2.497 20 30 FEEDLO CS(=O)(=O)N1CCC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000177245223 546578343 /nfs/dbraw/zinc/57/83/43/546578343.db2.gz OZBDNCALSKHWRB-UHFFFAOYSA-N 1 2 360.401 2.024 20 30 FEEDLO CS(=O)(=O)N1CCC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000177245223 546578344 /nfs/dbraw/zinc/57/83/44/546578344.db2.gz OZBDNCALSKHWRB-UHFFFAOYSA-N 1 2 360.401 2.024 20 30 FEEDLO Cc1sc(NC(=O)C[N@@H+]2CCC[C@H](C(=O)NCC3CC3)C2)c(C#N)c1C ZINC000177257893 546581252 /nfs/dbraw/zinc/58/12/52/546581252.db2.gz YEEMWXHCQMMFCI-HNNXBMFYSA-N 1 2 374.510 2.413 20 30 FEEDLO Cc1sc(NC(=O)C[N@H+]2CCC[C@H](C(=O)NCC3CC3)C2)c(C#N)c1C ZINC000177257893 546581255 /nfs/dbraw/zinc/58/12/55/546581255.db2.gz YEEMWXHCQMMFCI-HNNXBMFYSA-N 1 2 374.510 2.413 20 30 FEEDLO C[C@]([NH2+]CC(=O)Nc1sccc1C#N)(C(N)=O)c1cccc(Cl)c1 ZINC000177402459 546611498 /nfs/dbraw/zinc/61/14/98/546611498.db2.gz OMXBZJKIMRQOAG-MRXNPFEDSA-N 1 2 362.842 2.202 20 30 FEEDLO Cc1cccn2cc(-c3ccc(NC(=O)Cn4cnc(C#N)n4)cc3)[nH+]c12 ZINC000178421058 546791072 /nfs/dbraw/zinc/79/10/72/546791072.db2.gz KEQICLGSWPTDAM-UHFFFAOYSA-N 1 2 357.377 2.412 20 30 FEEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)c1 ZINC000179502482 546966728 /nfs/dbraw/zinc/96/67/28/546966728.db2.gz GPGZVLDLQZNLIO-OAHLLOKOSA-N 1 2 350.426 2.372 20 30 FEEDLO N#Cc1cccc(NC(=O)C[N@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)c1 ZINC000179502482 546966733 /nfs/dbraw/zinc/96/67/33/546966733.db2.gz GPGZVLDLQZNLIO-OAHLLOKOSA-N 1 2 350.426 2.372 20 30 FEEDLO O=[N+]([O-])c1ccc(O)c(/C=N/Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)c1 ZINC000180422715 547105287 /nfs/dbraw/zinc/10/52/87/547105287.db2.gz UCQXEMXEMFTJOM-JLWFYQMASA-N 1 2 355.394 2.486 20 30 FEEDLO O=[N+]([O-])c1ccc(O)c(/C=N/Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000180422715 547105292 /nfs/dbraw/zinc/10/52/92/547105292.db2.gz UCQXEMXEMFTJOM-JLWFYQMASA-N 1 2 355.394 2.486 20 30 FEEDLO C=CCNC(=O)C[NH2+]Cc1csc(N(C(C)=O)c2ccc(F)cc2)n1 ZINC000181132038 547255214 /nfs/dbraw/zinc/25/52/14/547255214.db2.gz NEFPACXKTKKVSA-UHFFFAOYSA-N 1 2 362.430 2.359 20 30 FEEDLO C=CCCC[C@H](C)NC(=O)N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC000181381199 547304225 /nfs/dbraw/zinc/30/42/25/547304225.db2.gz ZRWYWZLEKNHVOF-DLBZAZTESA-N 1 2 350.507 2.069 20 30 FEEDLO N#Cc1ccc(N2CCC[C@H]([NH+]3CCN(c4nccs4)CC3)C2=O)cc1 ZINC000182623467 547523985 /nfs/dbraw/zinc/52/39/85/547523985.db2.gz FGLLWJPLJZXMAT-KRWDZBQOSA-N 1 2 367.478 2.332 20 30 FEEDLO C[C@@H](C#N)CNC(=O)N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000182860958 547562906 /nfs/dbraw/zinc/56/29/06/547562906.db2.gz FYRGTACPAPZAGS-AWEZNQCLSA-N 1 2 350.850 2.206 20 30 FEEDLO COC(=O)[C@H]1C[C@@H](C(=O)OC)CC[N@@H+]1Cc1ccccc1C(C)(C)C#N ZINC000183124051 547606032 /nfs/dbraw/zinc/60/60/32/547606032.db2.gz VBLUCXCJBHIPEP-WMLDXEAASA-N 1 2 358.438 2.414 20 30 FEEDLO COC(=O)[C@H]1C[C@@H](C(=O)OC)CC[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000183124051 547606037 /nfs/dbraw/zinc/60/60/37/547606037.db2.gz VBLUCXCJBHIPEP-WMLDXEAASA-N 1 2 358.438 2.414 20 30 FEEDLO Cc1nc(N2CCN(C(=O)C(C)(C)Oc3ccc(C#N)cc3)CC2)cc[nH+]1 ZINC000185451897 547986993 /nfs/dbraw/zinc/98/69/93/547986993.db2.gz VGQQYZQLFLXNDE-UHFFFAOYSA-N 1 2 365.437 2.163 20 30 FEEDLO C=CCn1c(SCC[N@H+]2CCOC[C@H]2C)nc2sccc2c1=O ZINC000188230927 548275561 /nfs/dbraw/zinc/27/55/61/548275561.db2.gz GWRJOOUCIJVSJU-GFCCVEGCSA-N 1 2 351.497 2.457 20 30 FEEDLO C=CCn1c(SCC[N@@H+]2CCOC[C@H]2C)nc2sccc2c1=O ZINC000188230927 548275564 /nfs/dbraw/zinc/27/55/64/548275564.db2.gz GWRJOOUCIJVSJU-GFCCVEGCSA-N 1 2 351.497 2.457 20 30 FEEDLO COCc1noc(CN2CC[NH+](CC#Cc3ccc(Cl)cc3)CC2)n1 ZINC000189618458 548305722 /nfs/dbraw/zinc/30/57/22/548305722.db2.gz CMZYJNLDJSRIPH-UHFFFAOYSA-N 1 2 360.845 2.039 20 30 FEEDLO C=C(C)CS(=O)(=O)N[C@@H](CC)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000189728029 548309727 /nfs/dbraw/zinc/30/97/27/548309727.db2.gz FMRWVBRYGQZWSQ-ROUUACIJSA-N 1 2 352.500 2.162 20 30 FEEDLO C=C(C)CS(=O)(=O)N[C@@H](CC)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000189728029 548309733 /nfs/dbraw/zinc/30/97/33/548309733.db2.gz FMRWVBRYGQZWSQ-ROUUACIJSA-N 1 2 352.500 2.162 20 30 FEEDLO CCc1n[nH]c(C2CC[NH+](CC(=O)N(CCC#N)c3ccccc3)CC2)n1 ZINC000190683064 548332128 /nfs/dbraw/zinc/33/21/28/548332128.db2.gz IKAKXYJZYSVLOT-UHFFFAOYSA-N 1 2 366.469 2.493 20 30 FEEDLO CCc1nc(C2CC[NH+](CC(=O)N(CCC#N)c3ccccc3)CC2)n[nH]1 ZINC000190683064 548332135 /nfs/dbraw/zinc/33/21/35/548332135.db2.gz IKAKXYJZYSVLOT-UHFFFAOYSA-N 1 2 366.469 2.493 20 30 FEEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCc3cc(Cl)ccc3C2)CC1 ZINC000192247259 548361715 /nfs/dbraw/zinc/36/17/15/548361715.db2.gz GJCNGNPTYBNNCX-IBGZPJMESA-N 1 2 374.916 2.390 20 30 FEEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCc3cc(Cl)ccc3C2)CC1 ZINC000192247259 548361716 /nfs/dbraw/zinc/36/17/16/548361716.db2.gz GJCNGNPTYBNNCX-IBGZPJMESA-N 1 2 374.916 2.390 20 30 FEEDLO CCCCCCCS(=O)(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000195081211 548574770 /nfs/dbraw/zinc/57/47/70/548574770.db2.gz ZTWUYOKSROXTEV-UHFFFAOYSA-N 1 2 355.504 2.308 20 30 FEEDLO C[C@@]([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)(C(N)=O)c1ccccc1 ZINC000195225017 548598892 /nfs/dbraw/zinc/59/88/92/548598892.db2.gz CKVSNLCEJNYDFK-SFHVURJKSA-N 1 2 356.813 2.140 20 30 FEEDLO C=CCn1c(=O)c2ccc(C(=O)N[C@@H](C[NH3+])CCCC)cc2[nH]c1=S ZINC000236729509 548775734 /nfs/dbraw/zinc/77/57/34/548775734.db2.gz LFHKNTJGXVFZTM-CYBMUJFWSA-N 1 2 360.483 2.119 20 30 FEEDLO CCCC(=O)N[C@@H]1CCC[N@@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000245201490 548900482 /nfs/dbraw/zinc/90/04/82/548900482.db2.gz QRNSSIYRBWFGQR-AEFFLSMTSA-N 1 2 354.454 2.044 20 30 FEEDLO CCCC(=O)N[C@@H]1CCC[N@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000245201490 548900486 /nfs/dbraw/zinc/90/04/86/548900486.db2.gz QRNSSIYRBWFGQR-AEFFLSMTSA-N 1 2 354.454 2.044 20 30 FEEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000246162438 549067072 /nfs/dbraw/zinc/06/70/72/549067072.db2.gz ISVFJCBSFDQQCJ-FQSHHYAASA-N 1 2 361.408 2.305 20 30 FEEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000246162438 549067076 /nfs/dbraw/zinc/06/70/76/549067076.db2.gz ISVFJCBSFDQQCJ-FQSHHYAASA-N 1 2 361.408 2.305 20 30 FEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000246437593 549133377 /nfs/dbraw/zinc/13/33/77/549133377.db2.gz LRYPUYQKQBAYGB-AEFFLSMTSA-N 1 2 365.437 2.190 20 30 FEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000246437593 549133381 /nfs/dbraw/zinc/13/33/81/549133381.db2.gz LRYPUYQKQBAYGB-AEFFLSMTSA-N 1 2 365.437 2.190 20 30 FEEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000246437600 549133391 /nfs/dbraw/zinc/13/33/91/549133391.db2.gz LRYPUYQKQBAYGB-SJLPKXTDSA-N 1 2 365.437 2.190 20 30 FEEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000246437600 549133395 /nfs/dbraw/zinc/13/33/95/549133395.db2.gz LRYPUYQKQBAYGB-SJLPKXTDSA-N 1 2 365.437 2.190 20 30 FEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+](C)[C@H]1CCN(c2ccccc2F)C1=O ZINC000246595997 549169812 /nfs/dbraw/zinc/16/98/12/549169812.db2.gz PNMVRKFLUIWVFX-QAPCUYQASA-N 1 2 359.445 2.452 20 30 FEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](C)[C@H]1CCN(c2ccccc2F)C1=O ZINC000246595997 549169815 /nfs/dbraw/zinc/16/98/15/549169815.db2.gz PNMVRKFLUIWVFX-QAPCUYQASA-N 1 2 359.445 2.452 20 30 FEEDLO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N([C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)CC1=O ZINC000246737983 549200459 /nfs/dbraw/zinc/20/04/59/549200459.db2.gz FDXLWGDKQMMADO-RZAIGCCYSA-N 1 2 366.465 2.460 20 30 FEEDLO CC(C)(C)OC1CC(CC(=O)N(CCC#N)CC[NH+]2CCOCC2)C1 ZINC000488950088 561400286 /nfs/dbraw/zinc/40/02/86/561400286.db2.gz HHWCJCWIIDQVAV-UHFFFAOYSA-N 1 2 351.491 2.045 20 30 FEEDLO N#Cc1ccc([C@H](C(N)=O)[N@@H+]2CCC[C@H](Oc3ncccc3F)C2)cc1 ZINC000489012151 561401581 /nfs/dbraw/zinc/40/15/81/561401581.db2.gz GVHXVEAFDLJPRA-DOTOQJQBSA-N 1 2 354.385 2.162 20 30 FEEDLO N#Cc1ccc([C@H](C(N)=O)[N@H+]2CCC[C@H](Oc3ncccc3F)C2)cc1 ZINC000489012151 561401582 /nfs/dbraw/zinc/40/15/82/561401582.db2.gz GVHXVEAFDLJPRA-DOTOQJQBSA-N 1 2 354.385 2.162 20 30 FEEDLO C[N@@H+]1CC[C@H](NC(=O)N2CCO[C@@H](C#N)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000247209278 549299655 /nfs/dbraw/zinc/29/96/55/549299655.db2.gz YUFPTJZYIZZVRH-RCBQFDQVSA-N 1 2 366.824 2.158 20 30 FEEDLO C[N@H+]1CC[C@H](NC(=O)N2CCO[C@@H](C#N)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000247209278 549299657 /nfs/dbraw/zinc/29/96/57/549299657.db2.gz YUFPTJZYIZZVRH-RCBQFDQVSA-N 1 2 366.824 2.158 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)NC2CCN(c3cccc[nH+]3)CC2)cc1F ZINC000489117320 561403859 /nfs/dbraw/zinc/40/38/59/561403859.db2.gz PNSDBMLXNDMJDF-UHFFFAOYSA-N 1 2 360.414 2.040 20 30 FEEDLO C=CC[N@@H+](C[C@@H](O)COc1cc(C)ccc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000248591573 549465136 /nfs/dbraw/zinc/46/51/36/549465136.db2.gz RKZAHFQRJJWDOI-LSDHHAIUSA-N 1 2 373.902 2.063 20 30 FEEDLO C=CC[N@H+](C[C@@H](O)COc1cc(C)ccc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000248591573 549465139 /nfs/dbraw/zinc/46/51/39/549465139.db2.gz RKZAHFQRJJWDOI-LSDHHAIUSA-N 1 2 373.902 2.063 20 30 FEEDLO COCC[N@H+](CC(=O)NCc1cccc(C#N)c1)Cc1scnc1C ZINC000489456707 561411778 /nfs/dbraw/zinc/41/17/78/561411778.db2.gz ARYYMZTVERBHPV-UHFFFAOYSA-N 1 2 358.467 2.088 20 30 FEEDLO COCC[N@@H+](CC(=O)NCc1cccc(C#N)c1)Cc1scnc1C ZINC000489456707 561411779 /nfs/dbraw/zinc/41/17/79/561411779.db2.gz ARYYMZTVERBHPV-UHFFFAOYSA-N 1 2 358.467 2.088 20 30 FEEDLO Cc1ncc(S(=O)(=O)N2CCC(CCCn3cc[nH+]c3)CC2)cc1C#N ZINC000489627711 561415802 /nfs/dbraw/zinc/41/58/02/561415802.db2.gz MARCBWRNHAGWBG-UHFFFAOYSA-N 1 2 373.482 2.339 20 30 FEEDLO CCC[N@H+](CC(=O)N(CCC#N)CCC#N)[C@H](C)C(=O)Nc1ccccc1 ZINC000263645279 549912560 /nfs/dbraw/zinc/91/25/60/549912560.db2.gz ALEGWZYDKZBLCX-QGZVFWFLSA-N 1 2 369.469 2.382 20 30 FEEDLO CCC[N@@H+](CC(=O)N(CCC#N)CCC#N)[C@H](C)C(=O)Nc1ccccc1 ZINC000263645279 549912564 /nfs/dbraw/zinc/91/25/64/549912564.db2.gz ALEGWZYDKZBLCX-QGZVFWFLSA-N 1 2 369.469 2.382 20 30 FEEDLO COc1ccc(NC(=O)[C@@H](C)O[NH+]=C(N)[C@H](C)OCC(C)C)c(OC)c1 ZINC000266198716 550018555 /nfs/dbraw/zinc/01/85/55/550018555.db2.gz KLTVAIZRKCPULJ-QWHCGFSZSA-N 1 2 367.446 2.381 20 30 FEEDLO COc1ccc(CN(C)C(=O)CO[NH+]=C(N)[C@H](C)OCC(C)C)cc1 ZINC000266997259 550026368 /nfs/dbraw/zinc/02/63/68/550026368.db2.gz FBSUQWVYRCNXGG-AWEZNQCLSA-N 1 2 351.447 2.004 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@H]3CCCc4c[nH]nc43)CC2)cc1 ZINC000268932482 550133053 /nfs/dbraw/zinc/13/30/53/550133053.db2.gz ANPAAKHDYPVMSZ-SFHVURJKSA-N 1 2 364.453 2.186 20 30 FEEDLO C#CC[C@@H](NC(=O)N1CC[C@H]([NH+]2CCN(CC)CC2)C1)c1ccccc1 ZINC000270375324 550266737 /nfs/dbraw/zinc/26/67/37/550266737.db2.gz UVDIYLTVVFDEDH-VQTJNVASSA-N 1 2 354.498 2.172 20 30 FEEDLO C#CC[C@H](NC(=O)NCc1cc[nH+]c(N2CCOCC2)c1)c1ccccc1 ZINC000270476565 550276083 /nfs/dbraw/zinc/27/60/83/550276083.db2.gz WCCPKWJTWVXKEO-IBGZPJMESA-N 1 2 364.449 2.482 20 30 FEEDLO CN(CC(=O)Nc1ccccc1Cl)C(=O)C[NH+]1CCC(C)(C#N)CC1 ZINC000272482101 550452073 /nfs/dbraw/zinc/45/20/73/550452073.db2.gz BEGWQWNLBAYBFM-UHFFFAOYSA-N 1 2 362.861 2.363 20 30 FEEDLO C[C@@](C#N)(NC(=O)C[NH+]1CCN(c2cncc3ccccc32)CC1)C1CC1 ZINC000276480351 550578759 /nfs/dbraw/zinc/57/87/59/550578759.db2.gz RYTIJJVSNVABNB-NRFANRHFSA-N 1 2 363.465 2.165 20 30 FEEDLO CO[C@@H]1C[N@H+](CC(=O)Nc2ccccc2S[C@H](C)CC#N)C[C@@H]1OC ZINC000276871140 550605746 /nfs/dbraw/zinc/60/57/46/550605746.db2.gz LNZKQHGMGUYPJK-BMFZPTHFSA-N 1 2 363.483 2.365 20 30 FEEDLO CO[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2S[C@H](C)CC#N)C[C@@H]1OC ZINC000276871140 550605747 /nfs/dbraw/zinc/60/57/47/550605747.db2.gz LNZKQHGMGUYPJK-BMFZPTHFSA-N 1 2 363.483 2.365 20 30 FEEDLO C#CCC(CC#C)C(=O)N[C@@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1 ZINC000277310276 550654968 /nfs/dbraw/zinc/65/49/68/550654968.db2.gz FBDYMIVFEVKYSX-LJQANCHMSA-N 1 2 365.433 2.306 20 30 FEEDLO C#CCn1ccc(CN(CC)C(=O)NCc2ccc(N(CC)CC)[nH+]c2)n1 ZINC000279267215 550871709 /nfs/dbraw/zinc/87/17/09/550871709.db2.gz RKGIIEPNRJLFLQ-UHFFFAOYSA-N 1 2 368.485 2.489 20 30 FEEDLO CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1)C(=O)C1(C#N)CCCCC1 ZINC000279423164 550888821 /nfs/dbraw/zinc/88/88/21/550888821.db2.gz AONXDQJCGWERMK-IRXDYDNUSA-N 1 2 361.465 2.265 20 30 FEEDLO CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1)C(=O)C1(C#N)CCCCC1 ZINC000279423164 550888823 /nfs/dbraw/zinc/88/88/23/550888823.db2.gz AONXDQJCGWERMK-IRXDYDNUSA-N 1 2 361.465 2.265 20 30 FEEDLO C#CCn1ccc(C[N@@H+](CC)[C@H](C)C(=O)NCCc2ccc(F)cc2)n1 ZINC000279773409 550927568 /nfs/dbraw/zinc/92/75/68/550927568.db2.gz TVDAMQHIEYEOFF-MRXNPFEDSA-N 1 2 356.445 2.225 20 30 FEEDLO C#CCn1ccc(C[N@H+](CC)[C@H](C)C(=O)NCCc2ccc(F)cc2)n1 ZINC000279773409 550927570 /nfs/dbraw/zinc/92/75/70/550927570.db2.gz TVDAMQHIEYEOFF-MRXNPFEDSA-N 1 2 356.445 2.225 20 30 FEEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+](C)CCN2CCOC(C)(C)C2)c(C#N)c1C ZINC000279779190 550928173 /nfs/dbraw/zinc/92/81/73/550928173.db2.gz UDWQRWFJSXSPDD-CQSZACIVSA-N 1 2 362.474 2.138 20 30 FEEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+](C)CCN2CCOC(C)(C)C2)c(C#N)c1C ZINC000279779190 550928175 /nfs/dbraw/zinc/92/81/75/550928175.db2.gz UDWQRWFJSXSPDD-CQSZACIVSA-N 1 2 362.474 2.138 20 30 FEEDLO C[C@H](O)C[C@@H]1CCCC[N@@H+]1CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000279829202 550933579 /nfs/dbraw/zinc/93/35/79/550933579.db2.gz QYXJDRBQKCQACI-OFQRWUPVSA-N 1 2 368.437 2.137 20 30 FEEDLO C[C@H](O)C[C@@H]1CCCC[N@H+]1CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000279829202 550933580 /nfs/dbraw/zinc/93/35/80/550933580.db2.gz QYXJDRBQKCQACI-OFQRWUPVSA-N 1 2 368.437 2.137 20 30 FEEDLO C[C@@H]1OCC[C@@]12C[N@H+](CC(=O)N(CCC#N)c1ccccc1)C[C@@H](C)O2 ZINC000279912258 550942177 /nfs/dbraw/zinc/94/21/77/550942177.db2.gz VSEFOYBOOYRDKM-FUHIMQAGSA-N 1 2 357.454 2.202 20 30 FEEDLO C[C@@H]1OCC[C@@]12C[N@@H+](CC(=O)N(CCC#N)c1ccccc1)C[C@@H](C)O2 ZINC000279912258 550942179 /nfs/dbraw/zinc/94/21/79/550942179.db2.gz VSEFOYBOOYRDKM-FUHIMQAGSA-N 1 2 357.454 2.202 20 30 FEEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000280252852 550974573 /nfs/dbraw/zinc/97/45/73/550974573.db2.gz BQKSDGBMSZKYOM-UWVAXJGDSA-N 1 2 357.454 2.202 20 30 FEEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000280252852 550974574 /nfs/dbraw/zinc/97/45/74/550974574.db2.gz BQKSDGBMSZKYOM-UWVAXJGDSA-N 1 2 357.454 2.202 20 30 FEEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1=O ZINC000281170024 551070028 /nfs/dbraw/zinc/07/00/28/551070028.db2.gz ADWYKOGIFVWDEB-MAUKXSAKSA-N 1 2 372.444 2.180 20 30 FEEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1=O ZINC000281170024 551070029 /nfs/dbraw/zinc/07/00/29/551070029.db2.gz ADWYKOGIFVWDEB-MAUKXSAKSA-N 1 2 372.444 2.180 20 30 FEEDLO CC[C@@H]1C[N@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)CCCO1 ZINC000281217277 551074736 /nfs/dbraw/zinc/07/47/36/551074736.db2.gz BLTIEJPDDLSWRR-UKRRQHHQSA-N 1 2 354.410 2.013 20 30 FEEDLO CC[C@@H]1C[N@@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)CCCO1 ZINC000281217277 551074737 /nfs/dbraw/zinc/07/47/37/551074737.db2.gz BLTIEJPDDLSWRR-UKRRQHHQSA-N 1 2 354.410 2.013 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)Nc2cc(C)c(Cl)cc2OC)C1=O ZINC000281399254 551092594 /nfs/dbraw/zinc/09/25/94/551092594.db2.gz QJFTUJJFKCVQOL-HNNXBMFYSA-N 1 2 365.861 2.314 20 30 FEEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)Nc2cc(C)c(Cl)cc2OC)C1=O ZINC000281399254 551092595 /nfs/dbraw/zinc/09/25/95/551092595.db2.gz QJFTUJJFKCVQOL-HNNXBMFYSA-N 1 2 365.861 2.314 20 30 FEEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)N(C)[C@H]2CCCc3ccccc32)C1=O ZINC000281514072 551107573 /nfs/dbraw/zinc/10/75/73/551107573.db2.gz YXKXYESXIVIDOI-RBUKOAKNSA-N 1 2 355.482 2.241 20 30 FEEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)N(C)[C@H]2CCCc3ccccc32)C1=O ZINC000281514072 551107575 /nfs/dbraw/zinc/10/75/75/551107575.db2.gz YXKXYESXIVIDOI-RBUKOAKNSA-N 1 2 355.482 2.241 20 30 FEEDLO C=CCN1CC[C@@H]([NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)C1=O ZINC000282063628 551175676 /nfs/dbraw/zinc/17/56/76/551175676.db2.gz SIISUGCKHDUWEF-LJQANCHMSA-N 1 2 361.449 2.015 20 30 FEEDLO CN(CC[NH+]1CCOCC1)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC000283105927 551312701 /nfs/dbraw/zinc/31/27/01/551312701.db2.gz WWKWRRHDQRRCJA-UHFFFAOYSA-N 1 2 372.347 2.253 20 30 FEEDLO C=C(C)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC[NH+]1CCOCC1 ZINC000283693860 551411100 /nfs/dbraw/zinc/41/11/00/551411100.db2.gz UEXUDPFATOSNKT-UHFFFAOYSA-N 1 2 366.469 2.161 20 30 FEEDLO C#CCCCC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1[nH+]ccn1C ZINC000283892647 551445381 /nfs/dbraw/zinc/44/53/81/551445381.db2.gz APTDNWJIQUSTGD-OAHLLOKOSA-N 1 2 360.458 2.344 20 30 FEEDLO C[N@@H+]1CCO[C@@H]2CCN(Cc3cn(CCC#N)nc3-c3ccccc3)C[C@H]21 ZINC000284233165 551506480 /nfs/dbraw/zinc/50/64/80/551506480.db2.gz DPKYMUQDNHAIDR-WOJBJXKFSA-N 1 2 365.481 2.369 20 30 FEEDLO C[N@H+]1CCO[C@@H]2CCN(Cc3cn(CCC#N)nc3-c3ccccc3)C[C@H]21 ZINC000284233165 551506483 /nfs/dbraw/zinc/50/64/83/551506483.db2.gz DPKYMUQDNHAIDR-WOJBJXKFSA-N 1 2 365.481 2.369 20 30 FEEDLO Cc1onc(CC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)c1C#N ZINC000498561280 561528492 /nfs/dbraw/zinc/52/84/92/561528492.db2.gz DZZDOBTVWOJYTJ-MAUKXSAKSA-N 1 2 360.364 2.237 20 30 FEEDLO Cc1onc(CC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)c1C#N ZINC000498561280 561528493 /nfs/dbraw/zinc/52/84/93/561528493.db2.gz DZZDOBTVWOJYTJ-MAUKXSAKSA-N 1 2 360.364 2.237 20 30 FEEDLO C[C@H]1CCSCC[N@@H+]1CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000285077066 551701072 /nfs/dbraw/zinc/70/10/72/551701072.db2.gz PLXSFUYJYRSASQ-JSGCOSHPSA-N 1 2 356.451 2.339 20 30 FEEDLO C[C@H]1CCSCC[N@H+]1CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000285077066 551701074 /nfs/dbraw/zinc/70/10/74/551701074.db2.gz PLXSFUYJYRSASQ-JSGCOSHPSA-N 1 2 356.451 2.339 20 30 FEEDLO Cc1cc(C[NH+]2CCN(c3nc4cc(Cl)ccn4c3C#N)CC2)on1 ZINC000286008817 551837938 /nfs/dbraw/zinc/83/79/38/551837938.db2.gz FACCACNZYBGZIA-UHFFFAOYSA-N 1 2 356.817 2.478 20 30 FEEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cc(=O)oc3cc(O)c(Cl)cc23)C1=O ZINC000286200676 551860409 /nfs/dbraw/zinc/86/04/09/551860409.db2.gz PZRUJGVQOXTWTC-AWEZNQCLSA-N 1 2 362.813 2.371 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cc(=O)oc3cc(O)c(Cl)cc23)C1=O ZINC000286200676 551860410 /nfs/dbraw/zinc/86/04/10/551860410.db2.gz PZRUJGVQOXTWTC-AWEZNQCLSA-N 1 2 362.813 2.371 20 30 FEEDLO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(c3ccc(C#N)cn3)C2)CC1 ZINC000286296540 551871304 /nfs/dbraw/zinc/87/13/04/551871304.db2.gz HDYCJAYTKVDGBX-MRXNPFEDSA-N 1 2 357.458 2.085 20 30 FEEDLO C=CCOc1ccccc1CNC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000286598588 551904418 /nfs/dbraw/zinc/90/44/18/551904418.db2.gz GVTJPGGMYRFXDY-FUHWJXTLSA-N 1 2 359.470 2.256 20 30 FEEDLO CCn1c(C)nc([N+](=O)[O-])c1N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000288263860 552121985 /nfs/dbraw/zinc/12/19/85/552121985.db2.gz YPLLLLQTLIKGMQ-UHFFFAOYSA-N 1 2 354.414 2.314 20 30 FEEDLO C=CCCCNC(=O)C(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000288599782 552182812 /nfs/dbraw/zinc/18/28/12/552182812.db2.gz NWFAWVJVZLYTLU-UHFFFAOYSA-N 1 2 358.486 2.229 20 30 FEEDLO C[N@@H+]1CCN(S(=O)(=O)Cc2ccc(C#N)cc2)[C@H](c2ccccc2)C1 ZINC000288906228 552234079 /nfs/dbraw/zinc/23/40/79/552234079.db2.gz QQNKOYTWXYPKRE-IBGZPJMESA-N 1 2 355.463 2.377 20 30 FEEDLO C[N@H+]1CCN(S(=O)(=O)Cc2ccc(C#N)cc2)[C@H](c2ccccc2)C1 ZINC000288906228 552234080 /nfs/dbraw/zinc/23/40/80/552234080.db2.gz QQNKOYTWXYPKRE-IBGZPJMESA-N 1 2 355.463 2.377 20 30 FEEDLO Cc1nsc(N2CC[NH+](C[C@H](O)c3c(F)cccc3F)CC2)c1C#N ZINC000289463623 552325847 /nfs/dbraw/zinc/32/58/47/552325847.db2.gz MGJYCHGSMRNXQA-HNNXBMFYSA-N 1 2 364.421 2.457 20 30 FEEDLO C=C[C@](C)(O)CC(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000290346098 552464237 /nfs/dbraw/zinc/46/42/37/552464237.db2.gz CXLDYIBNOHSRQO-HNNXBMFYSA-N 1 2 352.232 2.349 20 30 FEEDLO N#Cc1ccnc(C(=O)NCC[NH+]2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000501166243 561591790 /nfs/dbraw/zinc/59/17/90/561591790.db2.gz WXROUVFAAOKIAN-UHFFFAOYSA-N 1 2 369.856 2.159 20 30 FEEDLO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(c3cccnc3C#N)C2)CC1 ZINC000291088570 552585703 /nfs/dbraw/zinc/58/57/03/552585703.db2.gz IZHVWAGBEGNKHY-OAHLLOKOSA-N 1 2 357.458 2.085 20 30 FEEDLO C[C@H](NC(=O)C[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1)c1cccs1 ZINC000292055728 552688878 /nfs/dbraw/zinc/68/88/78/552688878.db2.gz BQOZGMLQQUJEJX-DZGCQCFKSA-N 1 2 356.451 2.345 20 30 FEEDLO C[C@H](NC(=O)C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1)c1cccs1 ZINC000292055728 552688880 /nfs/dbraw/zinc/68/88/80/552688880.db2.gz BQOZGMLQQUJEJX-DZGCQCFKSA-N 1 2 356.451 2.345 20 30 FEEDLO CN(C)c1ncnc(Cl)c1C[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292090976 552693069 /nfs/dbraw/zinc/69/30/69/552693069.db2.gz FNEFRKQFUUPXRT-ZDUSSCGKSA-N 1 2 358.833 2.116 20 30 FEEDLO CN(C)c1ncnc(Cl)c1C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292090976 552693071 /nfs/dbraw/zinc/69/30/71/552693071.db2.gz FNEFRKQFUUPXRT-ZDUSSCGKSA-N 1 2 358.833 2.116 20 30 FEEDLO C[C@H](NC(=O)N1CCC(C#N)([NH+](C)C)CC1)[C@@H]1OCCc2sccc21 ZINC000292307959 552714518 /nfs/dbraw/zinc/71/45/18/552714518.db2.gz WAGAPDQZVZMJAB-BBRMVZONSA-N 1 2 362.499 2.380 20 30 FEEDLO C[C@@H]1CN(C(=O)C(C)(C)C)C[C@H](C)[N@H+]1CC(=O)NCc1ccc(C#N)cc1 ZINC000292316961 552715546 /nfs/dbraw/zinc/71/55/46/552715546.db2.gz NTSNGONXZWSUPD-IYBDPMFKSA-N 1 2 370.497 2.142 20 30 FEEDLO C[C@@H]1CN(C(=O)C(C)(C)C)C[C@H](C)[N@@H+]1CC(=O)NCc1ccc(C#N)cc1 ZINC000292316961 552715548 /nfs/dbraw/zinc/71/55/48/552715548.db2.gz NTSNGONXZWSUPD-IYBDPMFKSA-N 1 2 370.497 2.142 20 30 FEEDLO CC(C)[C@@]1(CO)CCC[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000292916508 552770788 /nfs/dbraw/zinc/77/07/88/552770788.db2.gz BMFZICURTJXJSB-SFHVURJKSA-N 1 2 350.484 2.062 20 30 FEEDLO CC(C)[C@@]1(CO)CCC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000292916508 552770790 /nfs/dbraw/zinc/77/07/90/552770790.db2.gz BMFZICURTJXJSB-SFHVURJKSA-N 1 2 350.484 2.062 20 30 FEEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502165264 561613177 /nfs/dbraw/zinc/61/31/77/561613177.db2.gz CRRWOZPOBJLTIG-INIZCTEOSA-N 1 2 354.454 2.078 20 30 FEEDLO C[C@H]1COCC[N@H+]1CCNC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502165264 561613178 /nfs/dbraw/zinc/61/31/78/561613178.db2.gz CRRWOZPOBJLTIG-INIZCTEOSA-N 1 2 354.454 2.078 20 30 FEEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000295755316 553054866 /nfs/dbraw/zinc/05/48/66/553054866.db2.gz XOHJIVZOZYNHRT-NVXWUHKLSA-N 1 2 357.454 2.386 20 30 FEEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000295755316 553054867 /nfs/dbraw/zinc/05/48/67/553054867.db2.gz XOHJIVZOZYNHRT-NVXWUHKLSA-N 1 2 357.454 2.386 20 30 FEEDLO Cc1[nH+]c2ccccc2n1C1CCN(C(=O)C(=O)N(C)C[C@@H](C)C#N)CC1 ZINC000297912578 553356366 /nfs/dbraw/zinc/35/63/66/553356366.db2.gz XBKZTWYTLHPFMR-AWEZNQCLSA-N 1 2 367.453 2.126 20 30 FEEDLO C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000299009561 553502787 /nfs/dbraw/zinc/50/27/87/553502787.db2.gz CSGFYORVFGTUAK-RYRKJORJSA-N 1 2 355.486 2.159 20 30 FEEDLO C#C[C@@H](NC(=O)C(=O)Nc1ccccc1OCCn1cc[nH+]c1)C(C)(C)C ZINC000299188257 553527212 /nfs/dbraw/zinc/52/72/12/553527212.db2.gz CFJQNVJAKGORMW-QGZVFWFLSA-N 1 2 368.437 2.065 20 30 FEEDLO NC(=O)c1cccc(CO[NH+]=C(N)c2ccc(N3CCCCC3)nc2)c1 ZINC000299353787 553552298 /nfs/dbraw/zinc/55/22/98/553552298.db2.gz ZWGPGEOZSJXFGZ-UHFFFAOYSA-N 1 2 353.426 2.008 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cc(N)nc(Cl)c3)CC2)cc1 ZINC000299533261 553577009 /nfs/dbraw/zinc/57/70/09/553577009.db2.gz HDRNEZMIERPBFD-UHFFFAOYSA-N 1 2 355.829 2.147 20 30 FEEDLO CCN(c1ccc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)cn1)C(C)C ZINC000504647678 561660763 /nfs/dbraw/zinc/66/07/63/561660763.db2.gz PNSBODJHNGGCKJ-UHFFFAOYSA-N 1 2 373.501 2.004 20 30 FEEDLO C#CCNC(=O)c1ccc(NC[C@@H](c2c(F)cccc2F)[NH+](C)C)nc1 ZINC000301260537 553636724 /nfs/dbraw/zinc/63/67/24/553636724.db2.gz FIAJCGZEQHUXMP-INIZCTEOSA-N 1 2 358.392 2.438 20 30 FEEDLO Cc1cccc2[nH]cc(CC(=O)N(CCC#N)CC[NH+]3CCOCC3)c21 ZINC000505106366 561666187 /nfs/dbraw/zinc/66/61/87/561666187.db2.gz XVPTUDHGQLPPIY-UHFFFAOYSA-N 1 2 354.454 2.093 20 30 FEEDLO Cc1ccc(N2CC[NH+](CC(=O)N[C@@H]3CCC[C@@H](C)C3)CC2)nc1C#N ZINC000302640022 553723560 /nfs/dbraw/zinc/72/35/60/553723560.db2.gz LASPGDGKFVXQIK-NVXWUHKLSA-N 1 2 355.486 2.079 20 30 FEEDLO C[NH+]1CCN(CCCCNc2cc(C#N)c(Br)cn2)CC1 ZINC000603274793 553750726 /nfs/dbraw/zinc/75/07/26/553750726.db2.gz IRHWYFVNLPNYHX-UHFFFAOYSA-N 1 2 352.280 2.155 20 30 FEEDLO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000321644994 553766823 /nfs/dbraw/zinc/76/68/23/553766823.db2.gz BMGBEOIMEAICBZ-GXTWGEPZSA-N 1 2 353.875 2.459 20 30 FEEDLO C[C@H]1C[N@H+]2CCCC[C@@H]2CN1S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000321644994 553766824 /nfs/dbraw/zinc/76/68/24/553766824.db2.gz BMGBEOIMEAICBZ-GXTWGEPZSA-N 1 2 353.875 2.459 20 30 FEEDLO Cc1cn2cc(NC(=O)N3CCC[C@H](S(C)(=O)=O)CC3)ccc2[nH+]1 ZINC000328654992 553803074 /nfs/dbraw/zinc/80/30/74/553803074.db2.gz MJGIWBKRXIHBCX-AWEZNQCLSA-N 1 2 350.444 2.087 20 30 FEEDLO N#C[C@@H]1CC[C@H]([NH+]2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)C1 ZINC000328719448 553812094 /nfs/dbraw/zinc/81/20/94/553812094.db2.gz GHUFJNUURFUVMU-QAPCUYQASA-N 1 2 359.495 2.174 20 30 FEEDLO O=C(C[NH+]1CCN(C([O-])=[NH+][C@@H]2CCc3ccccc3C2)CC1)NC1CC1 ZINC000328843733 553831058 /nfs/dbraw/zinc/83/10/58/553831058.db2.gz WKKGHJJTWSXFJG-GOSISDBHSA-N 1 2 356.470 2.194 20 30 FEEDLO C[N@@H+]1CCN(S(=O)(=O)c2ccc(F)c(C#N)c2)C[C@H]1Cc1ccccc1 ZINC000328887964 553839240 /nfs/dbraw/zinc/83/92/40/553839240.db2.gz PVHXANDXQINJNC-QGZVFWFLSA-N 1 2 373.453 2.245 20 30 FEEDLO C[N@H+]1CCN(S(=O)(=O)c2ccc(F)c(C#N)c2)C[C@H]1Cc1ccccc1 ZINC000328887964 553839242 /nfs/dbraw/zinc/83/92/42/553839242.db2.gz PVHXANDXQINJNC-QGZVFWFLSA-N 1 2 373.453 2.245 20 30 FEEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)N[C@@H]3CCOc4c(Cl)cccc43)C[C@@H]21 ZINC000328892435 553839689 /nfs/dbraw/zinc/83/96/89/553839689.db2.gz TWPNQIKNEVHBOR-OWCLPIDISA-N 1 2 365.861 2.483 20 30 FEEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)N[C@@H]3CCOc4c(Cl)cccc43)C[C@@H]21 ZINC000328892435 553839691 /nfs/dbraw/zinc/83/96/91/553839691.db2.gz TWPNQIKNEVHBOR-OWCLPIDISA-N 1 2 365.861 2.483 20 30 FEEDLO Cn1c[nH+]cc1[C@H]1[C@H](NC(=O)NC2CCCCC2)CCC(=O)N1C1CC1 ZINC000328961849 553853470 /nfs/dbraw/zinc/85/34/70/553853470.db2.gz QHLUEZPSXUMVPD-CRAIPNDOSA-N 1 2 359.474 2.451 20 30 FEEDLO C[C@@H]1C[C@@H](C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCC1=O ZINC000328959982 553853694 /nfs/dbraw/zinc/85/36/94/553853694.db2.gz PFTXDVSQVCPFKT-CVEARBPZSA-N 1 2 372.469 2.082 20 30 FEEDLO Cn1cc[nH+]c1[C@H](NC(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)C1CCOCC1 ZINC000329086197 553878149 /nfs/dbraw/zinc/87/81/49/553878149.db2.gz UQAFXNUYEWSUIO-YLFCFFPRSA-N 1 2 374.485 2.349 20 30 FEEDLO CCC(CC)[C@H](C(=O)N[C@@H]1CCO[C@@]2(CCOC2)C1)[NH+]1CCOCC1 ZINC000329092637 553879110 /nfs/dbraw/zinc/87/91/10/553879110.db2.gz AGQWCDHOVLCXOS-LMMKCTJWSA-N 1 2 354.491 2.418 20 30 FEEDLO COc1cc(Br)cc(NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)c1 ZINC000329130006 553886048 /nfs/dbraw/zinc/88/60/48/553886048.db2.gz OCPDTBJNLGCAPV-KGLIPLIRSA-N 1 2 370.247 2.018 20 30 FEEDLO COc1cc(Br)cc(NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)c1 ZINC000329130006 553886050 /nfs/dbraw/zinc/88/60/50/553886050.db2.gz OCPDTBJNLGCAPV-KGLIPLIRSA-N 1 2 370.247 2.018 20 30 FEEDLO CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1)C(=O)NCC1CCCC1 ZINC000329208886 553902480 /nfs/dbraw/zinc/90/24/80/553902480.db2.gz YVDGMGJXIVILGW-IRXDYDNUSA-N 1 2 351.470 2.369 20 30 FEEDLO CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1)C(=O)NCC1CCCC1 ZINC000329208886 553902482 /nfs/dbraw/zinc/90/24/82/553902482.db2.gz YVDGMGJXIVILGW-IRXDYDNUSA-N 1 2 351.470 2.369 20 30 FEEDLO CC(C)C[C@@H]1C[C@H](NC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)CCO1 ZINC000329252597 553910968 /nfs/dbraw/zinc/91/09/68/553910968.db2.gz YQMIWGLEGOSJPO-BRSBDYLESA-N 1 2 353.507 2.289 20 30 FEEDLO O=C(N[C@@H]1CCN(Cc2ccccc2)C1=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000329410826 553941103 /nfs/dbraw/zinc/94/11/03/553941103.db2.gz DBTVKTRSIQZTFM-MOPGFXCFSA-N 1 2 371.481 2.387 20 30 FEEDLO O=C(N[C@@H]1CCN(Cc2ccccc2)C1=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000329410826 553941106 /nfs/dbraw/zinc/94/11/06/553941106.db2.gz DBTVKTRSIQZTFM-MOPGFXCFSA-N 1 2 371.481 2.387 20 30 FEEDLO Cc1ccc(NC(=O)NC(=O)C[N@H+](C)C[C@@H]2CCS(=O)(=O)C2)c(C)c1 ZINC000329566607 553968616 /nfs/dbraw/zinc/96/86/16/553968616.db2.gz KVRVOLFHWNFKSL-AWEZNQCLSA-N 1 2 367.471 2.172 20 30 FEEDLO Cc1ccc(NC(=O)NC(=O)C[N@@H+](C)C[C@@H]2CCS(=O)(=O)C2)c(C)c1 ZINC000329566607 553968619 /nfs/dbraw/zinc/96/86/19/553968619.db2.gz KVRVOLFHWNFKSL-AWEZNQCLSA-N 1 2 367.471 2.172 20 30 FEEDLO CC[C@@H]1C[C@@H](C(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)CC(=O)N1 ZINC000329655775 553983446 /nfs/dbraw/zinc/98/34/46/553983446.db2.gz FYIJNADQGLVNGV-HZPDHXFCSA-N 1 2 364.490 2.032 20 30 FEEDLO CC(=O)N1CCC[C@@H]1C(=O)N[C@@H](C[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000329713283 553993612 /nfs/dbraw/zinc/99/36/12/553993612.db2.gz RHTIYTHWHBTDHZ-RBUKOAKNSA-N 1 2 359.470 2.336 20 30 FEEDLO CCN1CCN(C(=O)Nc2c[nH+]c(N3CCCC[C@@H]3C)c(C)c2)CC1=O ZINC000329819429 554011365 /nfs/dbraw/zinc/01/13/65/554011365.db2.gz GNLYPBXYKIDZKF-HNNXBMFYSA-N 1 2 359.474 2.478 20 30 FEEDLO Cc1nnc(CN(C)CC(=O)N[C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)n1C ZINC000329820750 554011994 /nfs/dbraw/zinc/01/19/94/554011994.db2.gz AHIMVIXTXZCNMN-AWEZNQCLSA-N 1 2 373.505 2.021 20 30 FEEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N(C)C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cc(C)no1 ZINC000329916186 554030912 /nfs/dbraw/zinc/03/09/12/554030912.db2.gz DNDJESMMKYFFSQ-CWLKWCNXSA-N 1 2 365.449 2.335 20 30 FEEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N(C)C[C@@H]1C[C@H](F)C[N@H+]1Cc1cc(C)no1 ZINC000329916186 554030914 /nfs/dbraw/zinc/03/09/14/554030914.db2.gz DNDJESMMKYFFSQ-CWLKWCNXSA-N 1 2 365.449 2.335 20 30 FEEDLO Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNC(=O)c1csc(=O)[nH]1 ZINC000329919726 554031495 /nfs/dbraw/zinc/03/14/95/554031495.db2.gz DLBXVSHWOHHVPU-QWRGUYRKSA-N 1 2 354.407 2.371 20 30 FEEDLO Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNC(=O)c1csc(=O)[nH]1 ZINC000329919726 554031497 /nfs/dbraw/zinc/03/14/97/554031497.db2.gz DLBXVSHWOHHVPU-QWRGUYRKSA-N 1 2 354.407 2.371 20 30 FEEDLO COc1ccc(NC(=O)N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)cc1Br ZINC000329931247 554033989 /nfs/dbraw/zinc/03/39/89/554033989.db2.gz OYHCWQHMUHJHAE-JSGCOSHPSA-N 1 2 370.247 2.018 20 30 FEEDLO COc1ccc(NC(=O)N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)cc1Br ZINC000329931247 554033990 /nfs/dbraw/zinc/03/39/90/554033990.db2.gz OYHCWQHMUHJHAE-JSGCOSHPSA-N 1 2 370.247 2.018 20 30 FEEDLO CC[C@@H]1C[C@H](C(=O)NC[C@@H]2C[C@H](F)CN2Cc2[nH+]ccn2C)CC(=O)N1 ZINC000329931213 554034185 /nfs/dbraw/zinc/03/41/85/554034185.db2.gz IERGWHBUWYJBCD-XQLPTFJDSA-N 1 2 365.453 2.434 20 30 FEEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)Nc3ccc4c(c3)OC3(CCCC3)O4)C[C@H]21 ZINC000329947230 554036914 /nfs/dbraw/zinc/03/69/14/554036914.db2.gz YFUPTRCORYUKOA-RHSMWYFYSA-N 1 2 359.426 2.288 20 30 FEEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)Nc3ccc4c(c3)OC3(CCCC3)O4)C[C@H]21 ZINC000329947230 554036915 /nfs/dbraw/zinc/03/69/15/554036915.db2.gz YFUPTRCORYUKOA-RHSMWYFYSA-N 1 2 359.426 2.288 20 30 FEEDLO Cc1cc(CN2C[C@@H](F)C[C@H]2CNC(=O)[C@H]2CCn3cc[nH+]c3C2)on1 ZINC000329956466 554038353 /nfs/dbraw/zinc/03/83/53/554038353.db2.gz POXRRFWLZOUDGU-KKUMJFAQSA-N 1 2 361.421 2.311 20 30 FEEDLO CNC(=O)C1(C(=O)N(C)C[C@@H]2C[C@H](F)C[N@@H+]2Cc2cccs2)CC1 ZINC000329971746 554041802 /nfs/dbraw/zinc/04/18/02/554041802.db2.gz YPVJYLLIAKXNQC-STQMWFEESA-N 1 2 353.463 2.485 20 30 FEEDLO CNC(=O)C1(C(=O)N(C)C[C@@H]2C[C@H](F)C[N@H+]2Cc2cccs2)CC1 ZINC000329971746 554041805 /nfs/dbraw/zinc/04/18/05/554041805.db2.gz YPVJYLLIAKXNQC-STQMWFEESA-N 1 2 353.463 2.485 20 30 FEEDLO N#Cc1cccc(CS(=O)(=O)N2CC[NH+](Cc3cccs3)CC2)c1 ZINC000507383857 561727318 /nfs/dbraw/zinc/72/73/18/561727318.db2.gz RVFHPJQNTMCRQI-UHFFFAOYSA-N 1 2 361.492 2.267 20 30 FEEDLO CCN1CCN(C(=O)N[C@H](C)c2ccc3c(c2)OCO3)C[C@H]1c1[nH]cc[nH+]1 ZINC000329985127 554044732 /nfs/dbraw/zinc/04/47/32/554044732.db2.gz CWJOZKMORMUNKE-HIFRSBDPSA-N 1 2 371.441 2.492 20 30 FEEDLO Cc1nc(CC2CC2)oc1C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000330015648 554049572 /nfs/dbraw/zinc/04/95/72/554049572.db2.gz OHNRZTNHKUMYRW-GOSISDBHSA-N 1 2 365.499 2.448 20 30 FEEDLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)c1cn([C@@H]2CCOC2)nn1 ZINC000330046382 554054580 /nfs/dbraw/zinc/05/45/80/554054580.db2.gz GWDFQXQJZKQMOW-OAHLLOKOSA-N 1 2 356.430 2.130 20 30 FEEDLO O=C(NCc1cn2cc(Cl)ccc2[nH+]1)N1CCC(Cn2cncn2)CC1 ZINC000330175718 554078473 /nfs/dbraw/zinc/07/84/73/554078473.db2.gz JIZGAQPYXVHGBK-UHFFFAOYSA-N 1 2 373.848 2.405 20 30 FEEDLO CC(C)(CNC(=O)N(C[C@H]1CCCO1)C1CCCC1)[NH+]1CCOCC1 ZINC000330211606 554086373 /nfs/dbraw/zinc/08/63/73/554086373.db2.gz JKEILGNNROSWHD-QGZVFWFLSA-N 1 2 353.507 2.435 20 30 FEEDLO CC(=O)Nc1ccc(F)c(NC(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)c1 ZINC000330937611 554191346 /nfs/dbraw/zinc/19/13/46/554191346.db2.gz AQYLOCCXAXTGCZ-UHFFFAOYSA-N 1 2 365.409 2.261 20 30 FEEDLO CC(C)[C@H](NC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1)C(N)=O ZINC000330982360 554196695 /nfs/dbraw/zinc/19/66/95/554196695.db2.gz JTUGWBCRDYGAQD-IOASZLSFSA-N 1 2 363.462 2.259 20 30 FEEDLO CCc1cnc(N2CC[NH+]([C@H](C)C(=O)NC(=O)NC(C)(C)C)CC2)s1 ZINC000331298162 554243559 /nfs/dbraw/zinc/24/35/59/554243559.db2.gz TUHXRRDZAMIRNX-GFCCVEGCSA-N 1 2 367.519 2.045 20 30 FEEDLO N#CC1CC[NH+]([C@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)CC1 ZINC000331678706 554307316 /nfs/dbraw/zinc/30/73/16/554307316.db2.gz PIEDSLCMVNDRQN-AWEZNQCLSA-N 1 2 362.227 2.317 20 30 FEEDLO COc1cc(CN2CC[NH+]([C@H](C)C(=O)NC3CCCC3)CC2)ccc1C#N ZINC000331913387 554345169 /nfs/dbraw/zinc/34/51/69/554345169.db2.gz MBHMCQMUENZILX-MRXNPFEDSA-N 1 2 370.497 2.132 20 30 FEEDLO COc1cc(C[NH+]2CCN([C@H](C)C(=O)NC3CCCC3)CC2)ccc1C#N ZINC000331913387 554345170 /nfs/dbraw/zinc/34/51/70/554345170.db2.gz MBHMCQMUENZILX-MRXNPFEDSA-N 1 2 370.497 2.132 20 30 FEEDLO CC[C@H]1C(=O)NCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000331951260 554351281 /nfs/dbraw/zinc/35/12/81/554351281.db2.gz OFOMMNBKPRJFOR-DOMZBBRYSA-N 1 2 374.510 2.284 20 30 FEEDLO CC[C@H]1C(=O)NCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000331951260 554351283 /nfs/dbraw/zinc/35/12/83/554351283.db2.gz OFOMMNBKPRJFOR-DOMZBBRYSA-N 1 2 374.510 2.284 20 30 FEEDLO CC(C)[C@H]1OCC[C@@H]1CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000331956458 554352191 /nfs/dbraw/zinc/35/21/91/554352191.db2.gz RUDDBKMPXNMUNY-WOJBJXKFSA-N 1 2 370.497 2.447 20 30 FEEDLO Cc1onc(CC(=O)N2CC[NH+]([C@@H](C)c3cccc(F)c3)CC2)c1C#N ZINC000332273781 554414844 /nfs/dbraw/zinc/41/48/44/554414844.db2.gz JFBQICSAAWFKRF-ZDUSSCGKSA-N 1 2 356.401 2.442 20 30 FEEDLO Cn1ncc(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)c1C(F)(F)F ZINC000332431386 554445567 /nfs/dbraw/zinc/44/55/67/554445567.db2.gz JATUNGOTGAHPBB-UHFFFAOYSA-N 1 2 350.348 2.028 20 30 FEEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+]C2(C(F)F)CCCCC2)CC1 ZINC000510077788 561824128 /nfs/dbraw/zinc/82/41/28/561824128.db2.gz CWPKEUPCFZKARM-HNNXBMFYSA-N 1 2 356.461 2.236 20 30 FEEDLO Cc1ccc(C#N)cc1S(=O)(=O)N1CC([N@H+](C)Cc2ccccc2)C1 ZINC000510555839 561838695 /nfs/dbraw/zinc/83/86/95/561838695.db2.gz WDBLSQQZQURPRY-UHFFFAOYSA-N 1 2 355.463 2.372 20 30 FEEDLO Cc1ccc(C#N)cc1S(=O)(=O)N1CC([N@@H+](C)Cc2ccccc2)C1 ZINC000510555839 561838697 /nfs/dbraw/zinc/83/86/97/561838697.db2.gz WDBLSQQZQURPRY-UHFFFAOYSA-N 1 2 355.463 2.372 20 30 FEEDLO C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2)[NH+]1CCC(F)(C#N)CC1 ZINC000510913245 561850457 /nfs/dbraw/zinc/85/04/57/561850457.db2.gz CPASHHJAGHPJDP-UONOGXRCSA-N 1 2 361.417 2.351 20 30 FEEDLO C[C@@H](NC(=O)[C@H](C)[NH+]1CCC(F)(C#N)CC1)c1ccc2c(c1)OCCO2 ZINC000510913244 561850480 /nfs/dbraw/zinc/85/04/80/561850480.db2.gz CPASHHJAGHPJDP-KGLIPLIRSA-N 1 2 361.417 2.351 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCC(N3CCCS3(=O)=O)CC2)c(Cl)c1 ZINC000334031464 554670316 /nfs/dbraw/zinc/67/03/16/554670316.db2.gz LLEZIZKHUOFUGW-UHFFFAOYSA-N 1 2 353.875 2.212 20 30 FEEDLO CC[N@@H+]1CCN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)[C@H](C)C1 ZINC000511219771 561861812 /nfs/dbraw/zinc/86/18/12/561861812.db2.gz GEKMBXMSDIDBAP-LLVKDONJSA-N 1 2 361.389 2.292 20 30 FEEDLO CC[N@H+]1CCN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)[C@H](C)C1 ZINC000511219771 561861813 /nfs/dbraw/zinc/86/18/13/561861813.db2.gz GEKMBXMSDIDBAP-LLVKDONJSA-N 1 2 361.389 2.292 20 30 FEEDLO N#Cc1ccc(CS(=O)(=O)NC2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000361694802 554930187 /nfs/dbraw/zinc/93/01/87/554930187.db2.gz RLRHQPSULJHAAC-UHFFFAOYSA-N 1 2 356.451 2.042 20 30 FEEDLO COc1cc(C#N)ccc1C[N@@H+]1CCN(S(C)(=O)=O)c2ccccc2C1 ZINC000363152336 555041273 /nfs/dbraw/zinc/04/12/73/555041273.db2.gz UVTJVPPYICJVDU-UHFFFAOYSA-N 1 2 371.462 2.349 20 30 FEEDLO COc1cc(C#N)ccc1C[N@H+]1CCN(S(C)(=O)=O)c2ccccc2C1 ZINC000363152336 555041274 /nfs/dbraw/zinc/04/12/74/555041274.db2.gz UVTJVPPYICJVDU-UHFFFAOYSA-N 1 2 371.462 2.349 20 30 FEEDLO Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)NCc3ccn4cc[nH+]c4c3)C2)n1 ZINC000364396674 555305564 /nfs/dbraw/zinc/30/55/64/555305564.db2.gz CSSGHVUTHKLELP-GOSISDBHSA-N 1 2 374.448 2.442 20 30 FEEDLO N#Cc1cccc(CS(=O)(=O)NCc2ccccc2-n2cc[nH+]c2)c1 ZINC000364454845 555317018 /nfs/dbraw/zinc/31/70/18/555317018.db2.gz RAKIOMQWRDZIMV-UHFFFAOYSA-N 1 2 352.419 2.364 20 30 FEEDLO N#Cc1ccc(Br)c(C[NH+]2CCN(c3ccc(=O)[nH]n3)CC2)c1 ZINC000365180116 555503366 /nfs/dbraw/zinc/50/33/66/555503366.db2.gz KQFAJRQTMZRWHL-UHFFFAOYSA-N 1 2 374.242 2.139 20 30 FEEDLO N#Cc1ncn(C2CC[NH+](Cc3nc(-c4ccc(F)cc4)no3)CC2)n1 ZINC000366391067 555831260 /nfs/dbraw/zinc/83/12/60/555831260.db2.gz LNBUIGZEPNKBGH-UHFFFAOYSA-N 1 2 353.361 2.176 20 30 FEEDLO COCC[N@H+](CC(=O)Nc1cccc(C#N)c1)Cc1ccc2c(c1)OCO2 ZINC000514177558 561962538 /nfs/dbraw/zinc/96/25/38/561962538.db2.gz FJDODRZQSSJVDM-UHFFFAOYSA-N 1 2 367.405 2.374 20 30 FEEDLO COCC[N@@H+](CC(=O)Nc1cccc(C#N)c1)Cc1ccc2c(c1)OCO2 ZINC000514177558 561962540 /nfs/dbraw/zinc/96/25/40/561962540.db2.gz FJDODRZQSSJVDM-UHFFFAOYSA-N 1 2 367.405 2.374 20 30 FEEDLO Cn1c(C[NH+]2CCC(C#N)(c3ccccn3)CC2)nc2ccccc2c1=O ZINC000367057550 556000826 /nfs/dbraw/zinc/00/08/26/556000826.db2.gz KPCGVJATAMJSMO-UHFFFAOYSA-N 1 2 359.433 2.386 20 30 FEEDLO C[C@@H]1C[C@H](c2cccnc2)[N@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000367360729 556027858 /nfs/dbraw/zinc/02/78/58/556027858.db2.gz KDTPNJQZIPFZKG-RHSMWYFYSA-N 1 2 356.451 2.205 20 30 FEEDLO C[C@@H]1C[C@H](c2cccnc2)[N@@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000367360729 556027861 /nfs/dbraw/zinc/02/78/61/556027861.db2.gz KDTPNJQZIPFZKG-RHSMWYFYSA-N 1 2 356.451 2.205 20 30 FEEDLO C#CC[C@]1(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)CCCN1C(=O)OC(C)(C)C ZINC000367723675 556123374 /nfs/dbraw/zinc/12/33/74/556123374.db2.gz CSDHAKWZYNPAAL-VBKZILBWSA-N 1 2 372.469 2.176 20 30 FEEDLO C#CC[C@]1(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)CCCN1C(=O)OC(C)(C)C ZINC000367723675 556123378 /nfs/dbraw/zinc/12/33/78/556123378.db2.gz CSDHAKWZYNPAAL-VBKZILBWSA-N 1 2 372.469 2.176 20 30 FEEDLO CCCC[N@@H+]1CCOC[C@H]1C(=O)NCc1nc(-c2cccc(C#N)c2)c[nH]1 ZINC000367918254 556172571 /nfs/dbraw/zinc/17/25/71/556172571.db2.gz WSNKKWKTMCJSFU-SFHVURJKSA-N 1 2 367.453 2.065 20 30 FEEDLO CCCC[N@H+]1CCOC[C@H]1C(=O)NCc1nc(-c2cccc(C#N)c2)c[nH]1 ZINC000367918254 556172573 /nfs/dbraw/zinc/17/25/73/556172573.db2.gz WSNKKWKTMCJSFU-SFHVURJKSA-N 1 2 367.453 2.065 20 30 FEEDLO C=C(Cl)CNC(=O)N1CC[NH+]([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000367948313 556179837 /nfs/dbraw/zinc/17/98/37/556179837.db2.gz RUQIANXFIKIBPK-AWEZNQCLSA-N 1 2 372.897 2.076 20 30 FEEDLO N#C[C@@H]1CN(C(=O)Nc2ccn3cc[nH+]c3c2)C[C@@]12C(=O)Nc1ccccc12 ZINC000368112767 556222361 /nfs/dbraw/zinc/22/23/61/556222361.db2.gz FWHKLDIPNOWFDL-ZUOKHONESA-N 1 2 372.388 2.212 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCN([C@H]3CCCc4ccccc43)C2=O)C1=O ZINC000368505509 556329953 /nfs/dbraw/zinc/32/99/53/556329953.db2.gz WBXTZGNBGURYGU-UFYCRDLUSA-N 1 2 367.493 2.384 20 30 FEEDLO C=CCN1CC[C@H]([N@H+](C)[C@H]2CCN([C@H]3CCCc4ccccc43)C2=O)C1=O ZINC000368505509 556329954 /nfs/dbraw/zinc/32/99/54/556329954.db2.gz WBXTZGNBGURYGU-UFYCRDLUSA-N 1 2 367.493 2.384 20 30 FEEDLO CN(C(=O)C[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1)C1(C#N)CCCCC1 ZINC000369012587 556475945 /nfs/dbraw/zinc/47/59/45/556475945.db2.gz WEPSKXUSDUOKBX-HNNXBMFYSA-N 1 2 374.445 2.113 20 30 FEEDLO CN(C(=O)C[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1)C1(C#N)CCCCC1 ZINC000369012587 556475946 /nfs/dbraw/zinc/47/59/46/556475946.db2.gz WEPSKXUSDUOKBX-HNNXBMFYSA-N 1 2 374.445 2.113 20 30 FEEDLO C[C@@H]1CC[S@](=O)CC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000369359723 556579633 /nfs/dbraw/zinc/57/96/33/556579633.db2.gz UJLSWLSUGHYCQJ-YYUOZPCZSA-N 1 2 365.524 2.280 20 30 FEEDLO C[C@@H]1CC[S@](=O)CC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000369359723 556579635 /nfs/dbraw/zinc/57/96/35/556579635.db2.gz UJLSWLSUGHYCQJ-YYUOZPCZSA-N 1 2 365.524 2.280 20 30 FEEDLO N#Cc1ccc(C[C@@H](C#N)C(=O)N[C@H]2CCCN(c3cccc[nH+]3)C2)cc1 ZINC000369406167 556593253 /nfs/dbraw/zinc/59/32/53/556593253.db2.gz IKFBZXTWVIMVHQ-OALUTQOASA-N 1 2 359.433 2.421 20 30 FEEDLO COc1ccc(C#N)cc1C[N@@H+]1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000369514953 556616557 /nfs/dbraw/zinc/61/65/57/556616557.db2.gz FULPJLOYFMSDRG-KKSFZXQISA-N 1 2 358.401 2.412 20 30 FEEDLO COc1ccc(C#N)cc1C[N@H+]1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000369514953 556616559 /nfs/dbraw/zinc/61/65/59/556616559.db2.gz FULPJLOYFMSDRG-KKSFZXQISA-N 1 2 358.401 2.412 20 30 FEEDLO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)NC2(C#N)CCCCC2)C[C@@]2(CCCOC2)O1 ZINC000369549029 556628214 /nfs/dbraw/zinc/62/82/14/556628214.db2.gz HFIKQTKZKJXHAU-MBOZVWFJSA-N 1 2 363.502 2.378 20 30 FEEDLO CC[C@@H]1C[N@H+]([C@H](C)C(=O)NC2(C#N)CCCCC2)C[C@@]2(CCCOC2)O1 ZINC000369549029 556628217 /nfs/dbraw/zinc/62/82/17/556628217.db2.gz HFIKQTKZKJXHAU-MBOZVWFJSA-N 1 2 363.502 2.378 20 30 FEEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@@H](c1nc(C)no1)C1CCOCC1 ZINC000370171540 556801688 /nfs/dbraw/zinc/80/16/88/556801688.db2.gz HPZOMPFXPHDBFP-CZUORRHYSA-N 1 2 350.463 2.248 20 30 FEEDLO CN1CC[NH+]([C@@H](CNC(=O)N[C@@H]2CC[C@H](C#N)C2)c2cccs2)CC1 ZINC000516967480 562068317 /nfs/dbraw/zinc/06/83/17/562068317.db2.gz ZQFSQWVJDOMNIR-XHSDSOJGSA-N 1 2 361.515 2.028 20 30 FEEDLO C=CCN(Cc1ccccc1)C(=O)c1cnn(CC[NH+]2CCOCC2)c1 ZINC000371639065 557247966 /nfs/dbraw/zinc/24/79/66/557247966.db2.gz CHIWHLSZFHWGQJ-UHFFFAOYSA-N 1 2 354.454 2.044 20 30 FEEDLO Cc1ccc(N(CCC#N)C(=O)c2cnn(CC[NH+]3CCOCC3)c2)cc1 ZINC000371820501 557303380 /nfs/dbraw/zinc/30/33/80/557303380.db2.gz LIVAHZGZACLVES-UHFFFAOYSA-N 1 2 367.453 2.084 20 30 FEEDLO N#Cc1ccc(Cl)c(S(=O)(=O)N2CC[NH+]([C@@H]3CCSC3)CC2)c1 ZINC000372775062 557559994 /nfs/dbraw/zinc/55/99/94/557559994.db2.gz FEOGISLZOQWTHT-CYBMUJFWSA-N 1 2 371.915 2.023 20 30 FEEDLO COC(=O)c1cn([C@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3Cl)C2)nn1 ZINC000373012352 557609997 /nfs/dbraw/zinc/60/99/97/557609997.db2.gz IDEBLCHLQIAFME-NSHDSACASA-N 1 2 363.780 2.176 20 30 FEEDLO COC(=O)c1cn([C@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3Cl)C2)nn1 ZINC000373012352 557609999 /nfs/dbraw/zinc/60/99/99/557609999.db2.gz IDEBLCHLQIAFME-NSHDSACASA-N 1 2 363.780 2.176 20 30 FEEDLO C=CCN(CCC#N)C(=O)[C@@H]1CCC(=O)N(CCC)[C@H]1c1c[nH+]cn1C ZINC000520440958 562156497 /nfs/dbraw/zinc/15/64/97/562156497.db2.gz BRQVGCUKBLNQGH-CRAIPNDOSA-N 1 2 357.458 2.038 20 30 FEEDLO C=CC[C@@H](CC)NC(=O)N1CCNC(=O)[C@H]1c1c(C)[nH+]c2ccccn21 ZINC000373963012 557797194 /nfs/dbraw/zinc/79/71/94/557797194.db2.gz RQICAARXLFLMSQ-RHSMWYFYSA-N 1 2 355.442 2.180 20 30 FEEDLO N#CCOc1cccc(CC(=O)N2CC[NH2+][C@H](c3cccc(F)c3)C2)c1 ZINC000374311545 557863615 /nfs/dbraw/zinc/86/36/15/557863615.db2.gz CDLZINKWURVGFJ-IBGZPJMESA-N 1 2 353.397 2.444 20 30 FEEDLO COc1cc(OC)cc([C@@]2(F)CC[N@@H+]([C@H](C)C(=O)N(C)CCC#N)C2)c1 ZINC000374634982 557909840 /nfs/dbraw/zinc/90/98/40/557909840.db2.gz FPPQZTNXBSBUTA-AUUYWEPGSA-N 1 2 363.433 2.335 20 30 FEEDLO COc1cc(OC)cc([C@@]2(F)CC[N@H+]([C@H](C)C(=O)N(C)CCC#N)C2)c1 ZINC000374634982 557909841 /nfs/dbraw/zinc/90/98/41/557909841.db2.gz FPPQZTNXBSBUTA-AUUYWEPGSA-N 1 2 363.433 2.335 20 30 FEEDLO C=CCc1ccc(OC[C@@H](O)CN2CCn3cc(C)[nH+]c3C2)c(OC)c1 ZINC000374658571 557913122 /nfs/dbraw/zinc/91/31/22/557913122.db2.gz GXVHFAIMXHIFJD-KRWDZBQOSA-N 1 2 357.454 2.184 20 30 FEEDLO N#Cc1cccc(S(=O)(=O)CC[NH+]2CCC([C@@H]3CCCOC3)CC2)c1 ZINC000374737948 557923630 /nfs/dbraw/zinc/92/36/30/557923630.db2.gz UTCXQEPFMGCWDZ-GOSISDBHSA-N 1 2 362.495 2.471 20 30 FEEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000375652082 558062645 /nfs/dbraw/zinc/06/26/45/558062645.db2.gz JWHXPZZAWOVMNR-RZMNMVRNSA-N 1 2 363.502 2.187 20 30 FEEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000375652082 558062647 /nfs/dbraw/zinc/06/26/47/558062647.db2.gz JWHXPZZAWOVMNR-RZMNMVRNSA-N 1 2 363.502 2.187 20 30 FEEDLO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000375743813 558076089 /nfs/dbraw/zinc/07/60/89/558076089.db2.gz MEDONIQHNAWSAA-UHFFFAOYSA-N 1 2 359.361 2.382 20 30 FEEDLO N#Cc1ncn(C2CC[NH+]([C@H]3CCN(c4ccccc4Cl)C3=O)CC2)n1 ZINC000375927473 558100983 /nfs/dbraw/zinc/10/09/83/558100983.db2.gz MGEWIBUQBCMWHS-INIZCTEOSA-N 1 2 370.844 2.246 20 30 FEEDLO C=CCCCC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000376234717 558145292 /nfs/dbraw/zinc/14/52/92/558145292.db2.gz JEBFETBYBONXPH-MRXNPFEDSA-N 1 2 351.491 2.496 20 30 FEEDLO C#CCC(CC#C)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000376976232 558247160 /nfs/dbraw/zinc/24/71/60/558247160.db2.gz BHTUKFDWXXWIMA-MOPGFXCFSA-N 1 2 358.869 2.491 20 30 FEEDLO C#CCC(CC#C)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000376976232 558247162 /nfs/dbraw/zinc/24/71/62/558247162.db2.gz BHTUKFDWXXWIMA-MOPGFXCFSA-N 1 2 358.869 2.491 20 30 FEEDLO Cc1nsc(N2CCC[C@@H](c3n[nH]cc3C[NH+]3CCOCC3)C2)c1C#N ZINC000377157988 558278407 /nfs/dbraw/zinc/27/84/07/558278407.db2.gz NHXNZKGUEBSMKY-CQSZACIVSA-N 1 2 372.498 2.263 20 30 FEEDLO N#Cc1ccc(CS(=O)(=O)N[C@H]2CCCN(c3cccc[nH+]3)C2)cc1 ZINC000377296261 558308567 /nfs/dbraw/zinc/30/85/67/558308567.db2.gz LWKNXDOGBPDKAQ-KRWDZBQOSA-N 1 2 356.451 2.042 20 30 FEEDLO CC[N@@H+]1CCO[C@@H](c2noc([C@@H]3CCN(c4ccc(C#N)cc4F)C3)n2)C1 ZINC000377518835 558356068 /nfs/dbraw/zinc/35/60/68/558356068.db2.gz ZJOJHUBPVYAFTK-RHSMWYFYSA-N 1 2 371.416 2.467 20 30 FEEDLO CC[N@H+]1CCO[C@@H](c2noc([C@@H]3CCN(c4ccc(C#N)cc4F)C3)n2)C1 ZINC000377518835 558356071 /nfs/dbraw/zinc/35/60/71/558356071.db2.gz ZJOJHUBPVYAFTK-RHSMWYFYSA-N 1 2 371.416 2.467 20 30 FEEDLO COC(=O)C[C@@H]1COCC[N@@H+]1Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000377834896 558431377 /nfs/dbraw/zinc/43/13/77/558431377.db2.gz PDMWUTGXNFSOQM-GOSISDBHSA-N 1 2 368.437 2.228 20 30 FEEDLO COC(=O)C[C@@H]1COCC[N@H+]1Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000377834896 558431378 /nfs/dbraw/zinc/43/13/78/558431378.db2.gz PDMWUTGXNFSOQM-GOSISDBHSA-N 1 2 368.437 2.228 20 30 FEEDLO CC(=O)N1CC[N@@H+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC12CCCCC2 ZINC000408044970 558640961 /nfs/dbraw/zinc/64/09/61/558640961.db2.gz DAMVXJFAZHBEPW-QFBILLFUSA-N 1 2 362.518 2.296 20 30 FEEDLO CC(=O)N1CC[N@H+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC12CCCCC2 ZINC000408044970 558640965 /nfs/dbraw/zinc/64/09/65/558640965.db2.gz DAMVXJFAZHBEPW-QFBILLFUSA-N 1 2 362.518 2.296 20 30 FEEDLO C=CCCCN(C)C(=O)C(=O)N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000410487646 558767028 /nfs/dbraw/zinc/76/70/28/558767028.db2.gz DFCMXEXMEAACKD-QGZVFWFLSA-N 1 2 373.497 2.325 20 30 FEEDLO C[C@@H](c1cccc(NC(=O)C(=O)NCC(C)(C)CC#N)c1)[NH+]1CCOCC1 ZINC000411637825 558933704 /nfs/dbraw/zinc/93/37/04/558933704.db2.gz DAKACYQORKOYTL-HNNXBMFYSA-N 1 2 372.469 2.074 20 30 FEEDLO CC1(C)C[C@H](C(=O)N(CCC#N)CC[NH+]2CCOCC2)c2ccccc2O1 ZINC000412122582 559015804 /nfs/dbraw/zinc/01/58/04/559015804.db2.gz GKWMRUXYFZWIIA-SFHVURJKSA-N 1 2 371.481 2.406 20 30 FEEDLO CC[C@@H](OC1CCCCC1)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000413282380 559095303 /nfs/dbraw/zinc/09/53/03/559095303.db2.gz PLSVOYKSBOFJOH-GOSISDBHSA-N 1 2 351.491 2.189 20 30 FEEDLO CC(C)Cn1c(SC[C@@H](O)C[N@H+](C)CCC#N)nnc1-c1ccco1 ZINC000414094719 559149050 /nfs/dbraw/zinc/14/90/50/559149050.db2.gz IVTZYXUUNHDEJF-AWEZNQCLSA-N 1 2 363.487 2.493 20 30 FEEDLO CC(C)Cn1c(SC[C@@H](O)C[N@@H+](C)CCC#N)nnc1-c1ccco1 ZINC000414094719 559149051 /nfs/dbraw/zinc/14/90/51/559149051.db2.gz IVTZYXUUNHDEJF-AWEZNQCLSA-N 1 2 363.487 2.493 20 30 FEEDLO CCCCn1c(SC[C@H](O)C[N@H+](C)CCC#N)nc2ccccc2c1=O ZINC000414098333 559149224 /nfs/dbraw/zinc/14/92/24/559149224.db2.gz OPLHYCIGWJBLEK-OAHLLOKOSA-N 1 2 374.510 2.495 20 30 FEEDLO CCCCn1c(SC[C@H](O)C[N@@H+](C)CCC#N)nc2ccccc2c1=O ZINC000414098333 559149225 /nfs/dbraw/zinc/14/92/25/559149225.db2.gz OPLHYCIGWJBLEK-OAHLLOKOSA-N 1 2 374.510 2.495 20 30 FEEDLO CC(C)c1ccc([C@@]2(C)CC(=O)N(C[C@@H](O)C[N@H+](C)CCC#N)C2=O)cc1 ZINC000414120844 559150157 /nfs/dbraw/zinc/15/01/57/559150157.db2.gz DVNAZHBKWFRZGU-GHTZIAJQSA-N 1 2 371.481 2.033 20 30 FEEDLO CC(C)c1ccc([C@@]2(C)CC(=O)N(C[C@@H](O)C[N@@H+](C)CCC#N)C2=O)cc1 ZINC000414120844 559150158 /nfs/dbraw/zinc/15/01/58/559150158.db2.gz DVNAZHBKWFRZGU-GHTZIAJQSA-N 1 2 371.481 2.033 20 30 FEEDLO COCC(COC)[NH+]1CCN(C(=O)Nc2ccc(C#N)cc2Cl)CC1 ZINC000416912178 559337956 /nfs/dbraw/zinc/33/79/56/559337956.db2.gz CHWKSOACQNYVOC-UHFFFAOYSA-N 1 2 366.849 2.023 20 30 FEEDLO CCn1c[nH+]cc1CN1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000417720169 559373836 /nfs/dbraw/zinc/37/38/36/559373836.db2.gz RFWRYGQVMDHNSH-UHFFFAOYSA-N 1 2 352.398 2.345 20 30 FEEDLO CC[C@H]1C[C@@H](NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCO1 ZINC000420883960 559509261 /nfs/dbraw/zinc/50/92/61/559509261.db2.gz APGBYUKWUMBKRS-OALUTQOASA-N 1 2 356.470 2.343 20 30 FEEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000420953408 559513718 /nfs/dbraw/zinc/51/37/18/559513718.db2.gz ZMJXENUZFHJFMN-CABCVRRESA-N 1 2 352.500 2.123 20 30 FEEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000420953408 559513719 /nfs/dbraw/zinc/51/37/19/559513719.db2.gz ZMJXENUZFHJFMN-CABCVRRESA-N 1 2 352.500 2.123 20 30 FEEDLO CC(=O)N[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000420991034 559518085 /nfs/dbraw/zinc/51/80/85/559518085.db2.gz VJOFVZSHACGBJC-JSGCOSHPSA-N 1 2 374.510 2.426 20 30 FEEDLO CC(=O)N[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000420991034 559518086 /nfs/dbraw/zinc/51/80/86/559518086.db2.gz VJOFVZSHACGBJC-JSGCOSHPSA-N 1 2 374.510 2.426 20 30 FEEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)NCc1ccc(C#N)s1 ZINC000421069511 559522674 /nfs/dbraw/zinc/52/26/74/559522674.db2.gz PDWKRHNGGQKLOR-UHFFFAOYSA-N 1 2 357.439 2.482 20 30 FEEDLO C=C(C)C(C)(C)C(=O)N1CC[NH+](CCNC(=O)c2ccccc2F)CC1 ZINC000424665001 559672987 /nfs/dbraw/zinc/67/29/87/559672987.db2.gz QCNLTJKKDBXWSF-UHFFFAOYSA-N 1 2 361.461 2.302 20 30 FEEDLO C=CCn1cc(CNC(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)nn1 ZINC000424909759 559679734 /nfs/dbraw/zinc/67/97/34/559679734.db2.gz VYUFVNXWCOPRPH-SFHVURJKSA-N 1 2 357.433 2.274 20 30 FEEDLO C=CCn1cc(CNC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)nn1 ZINC000424909759 559679735 /nfs/dbraw/zinc/67/97/35/559679735.db2.gz VYUFVNXWCOPRPH-SFHVURJKSA-N 1 2 357.433 2.274 20 30 FEEDLO C[C@H](c1cccc(C#N)c1)N(C)C(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000425134732 559688299 /nfs/dbraw/zinc/68/82/99/559688299.db2.gz UVKOVQHVLTXIGN-QGZVFWFLSA-N 1 2 363.465 2.295 20 30 FEEDLO Cc1cc(N2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)c(C#N)c[nH+]1 ZINC000425201851 559690902 /nfs/dbraw/zinc/69/09/02/559690902.db2.gz BARZOWISEDNLFA-UHFFFAOYSA-N 1 2 374.441 2.348 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000425425788 559701435 /nfs/dbraw/zinc/70/14/35/559701435.db2.gz RDSCYPFNSXIDIW-ROUUACIJSA-N 1 2 354.454 2.364 20 30 FEEDLO COc1ccc(OC)c(C[NH+]2CCN(C(=O)N[C@@H]3CC[C@H](C#N)C3)CC2)c1 ZINC000425615648 559711671 /nfs/dbraw/zinc/71/16/71/559711671.db2.gz YWFUBBPKWTVPGW-DOTOQJQBSA-N 1 2 372.469 2.223 20 30 FEEDLO C=CC[C@H](C(=O)N1CC[C@@H](OCC[NH+]2CCOCC2)C1)c1ccccc1 ZINC000427756703 559761731 /nfs/dbraw/zinc/76/17/31/559761731.db2.gz XAWCJFZEDVQDFJ-UXHICEINSA-N 1 2 358.482 2.296 20 30 FEEDLO C[C@@H]1CN(c2ccc(CNC(=O)c3ncc(C#N)cc3Cl)c[nH+]2)CCO1 ZINC000427908328 559765227 /nfs/dbraw/zinc/76/52/27/559765227.db2.gz NDMDIJXSOWFCPV-GFCCVEGCSA-N 1 2 371.828 2.157 20 30 FEEDLO Cn1ncc(Br)c1C[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000430188807 559815101 /nfs/dbraw/zinc/81/51/01/559815101.db2.gz UFTVNGUTNNTZBI-LBPRGKRZSA-N 1 2 362.231 2.103 20 30 FEEDLO Cn1ncc(Br)c1C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000430188807 559815102 /nfs/dbraw/zinc/81/51/02/559815102.db2.gz UFTVNGUTNNTZBI-LBPRGKRZSA-N 1 2 362.231 2.103 20 30 FEEDLO COc1cc(OC)cc([C@H](NC(=O)c2ccc(C#N)o2)c2[nH+]ccn2C)c1 ZINC000431758804 559845447 /nfs/dbraw/zinc/84/54/47/559845447.db2.gz RRUSPAQBZHMXAT-KRWDZBQOSA-N 1 2 366.377 2.421 20 30 FEEDLO CCOC(=O)C[N@@H+]1CCCN(c2c(C#N)cnc3c(F)cc(F)cc32)CC1 ZINC000433778481 559887749 /nfs/dbraw/zinc/88/77/49/559887749.db2.gz YPTXXBKHNKTBAI-UHFFFAOYSA-N 1 2 374.391 2.460 20 30 FEEDLO CCOC(=O)C[N@H+]1CCCN(c2c(C#N)cnc3c(F)cc(F)cc32)CC1 ZINC000433778481 559887750 /nfs/dbraw/zinc/88/77/50/559887750.db2.gz YPTXXBKHNKTBAI-UHFFFAOYSA-N 1 2 374.391 2.460 20 30 FEEDLO CCC(CC)[C@@H](CNS(=O)(=O)c1ccc(C#N)s1)[NH+]1CCOCC1 ZINC000435435546 559923079 /nfs/dbraw/zinc/92/30/79/559923079.db2.gz YLHSYBAMDPFWML-OAHLLOKOSA-N 1 2 371.528 2.035 20 30 FEEDLO CC[C@H](C#N)Sc1nnc([C@H](CC)[NH+](C)C)n1CCN1CCOCC1 ZINC000436058058 559934421 /nfs/dbraw/zinc/93/44/21/559934421.db2.gz JKTQVTPCOLXBAE-CABCVRRESA-N 1 2 366.535 2.017 20 30 FEEDLO C=C(C)[C@@H](CC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1)OCC ZINC000437983514 559972391 /nfs/dbraw/zinc/97/23/91/559972391.db2.gz YJCRHZFKAIWTFX-AQNXPRMDSA-N 1 2 358.482 2.470 20 30 FEEDLO C=C(C)[C@@H](CC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1)OCC ZINC000437983514 559972392 /nfs/dbraw/zinc/97/23/92/559972392.db2.gz YJCRHZFKAIWTFX-AQNXPRMDSA-N 1 2 358.482 2.470 20 30 FEEDLO CCS(=O)(=O)N(C)C1CC[NH+](Cc2ccc(C#N)cc2Cl)CC1 ZINC000439442973 559994005 /nfs/dbraw/zinc/99/40/05/559994005.db2.gz SQRMKUKAQNPEEE-UHFFFAOYSA-N 1 2 355.891 2.458 20 30 FEEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CC[N@H+](C)C[C@H]1C ZINC000440266057 560007622 /nfs/dbraw/zinc/00/76/22/560007622.db2.gz CIXBJBSQEFEAIN-UONOGXRCSA-N 1 2 360.483 2.039 20 30 FEEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000440266057 560007623 /nfs/dbraw/zinc/00/76/23/560007623.db2.gz CIXBJBSQEFEAIN-UONOGXRCSA-N 1 2 360.483 2.039 20 30 FEEDLO CC(C)(C)OC(=O)C[NH2+][C@@]1(C)CCN(C(=O)NCc2ccc(C#N)cc2)C1 ZINC000441135650 560025007 /nfs/dbraw/zinc/02/50/07/560025007.db2.gz UAIHYNWPMNWWPL-FQEVSTJZSA-N 1 2 372.469 2.164 20 30 FEEDLO CC(C)(C)OC(=O)C[NH2+][C@@]1(C)CCN(C(=O)c2cccc(F)c2C#N)C1 ZINC000442829628 560058933 /nfs/dbraw/zinc/05/89/33/560058933.db2.gz VTJXRIBGCKSTKL-IBGZPJMESA-N 1 2 361.417 2.233 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Cn3ccc(C(F)F)n3)CC2)cc1 ZINC000527688766 562300345 /nfs/dbraw/zinc/30/03/45/562300345.db2.gz RXVHYTDENXZILK-UHFFFAOYSA-N 1 2 359.380 2.037 20 30 FEEDLO C=CCc1ccc(OCC(=O)NC[C@@H]2CC[NH2+]CC2(F)F)c(OC)c1 ZINC000449647175 560235495 /nfs/dbraw/zinc/23/54/95/560235495.db2.gz CXYKFBKIQWDQPO-AWEZNQCLSA-N 1 2 354.397 2.164 20 30 FEEDLO CC(C)N1CCO[C@@H](C[NH+]2CCN(c3cccc(Cl)c3C#N)CC2)C1 ZINC000450316595 560258253 /nfs/dbraw/zinc/25/82/53/560258253.db2.gz ZGRDAOLYMSODLH-INIZCTEOSA-N 1 2 362.905 2.443 20 30 FEEDLO Cn1c(C#N)ccc1C(=O)N1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000450872395 560276222 /nfs/dbraw/zinc/27/62/22/560276222.db2.gz BVUPMXJPGJEXQR-MRXNPFEDSA-N 1 2 365.437 2.185 20 30 FEEDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)c1cccc(C#N)c1Br ZINC000451288587 560298413 /nfs/dbraw/zinc/29/84/13/560298413.db2.gz UGKCITMVVNPCLI-LBPRGKRZSA-N 1 2 366.259 2.113 20 30 FEEDLO C[C@H](O)C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)CC(F)F ZINC000451838008 560331723 /nfs/dbraw/zinc/33/17/23/560331723.db2.gz QIXCLZKADUQZRX-JTQLQIEISA-N 1 2 357.426 2.385 20 30 FEEDLO C[C@H](O)C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)CC(F)F ZINC000451838008 560331724 /nfs/dbraw/zinc/33/17/24/560331724.db2.gz QIXCLZKADUQZRX-JTQLQIEISA-N 1 2 357.426 2.385 20 30 FEEDLO C[C@H]1CN(CC(F)(F)F)CC[N@H+](CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000451865720 560333252 /nfs/dbraw/zinc/33/32/52/560333252.db2.gz AHULPXIXMNVYSB-OAHLLOKOSA-N 1 2 374.451 2.487 20 30 FEEDLO C[C@H]1CN(CC(F)(F)F)CC[N@@H+](CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000451865720 560333253 /nfs/dbraw/zinc/33/32/53/560333253.db2.gz AHULPXIXMNVYSB-OAHLLOKOSA-N 1 2 374.451 2.487 20 30 FEEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000451918520 560337252 /nfs/dbraw/zinc/33/72/52/560337252.db2.gz YKBLAPDMHYOETC-YGRLFVJLSA-N 1 2 361.751 2.395 20 30 FEEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000451918520 560337253 /nfs/dbraw/zinc/33/72/53/560337253.db2.gz YKBLAPDMHYOETC-YGRLFVJLSA-N 1 2 361.751 2.395 20 30 FEEDLO CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cccc(CC#N)c2)c[nH+]1 ZINC000453572095 560389098 /nfs/dbraw/zinc/38/90/98/560389098.db2.gz NNZCLFKJRIMHJJ-UHFFFAOYSA-N 1 2 365.437 2.249 20 30 FEEDLO Cc1cc(C#N)cc(NC(=O)C(=O)NCCCCNc2cccc[nH+]2)c1 ZINC000453646078 560393126 /nfs/dbraw/zinc/39/31/26/560393126.db2.gz BGWNVGZRYXYNRB-UHFFFAOYSA-N 1 2 351.410 2.209 20 30 FEEDLO N#Cc1ncc(NC(=O)NCc2cc[nH+]c(N3CCOCC3)c2)cc1Cl ZINC000455761724 560494126 /nfs/dbraw/zinc/49/41/26/560494126.db2.gz XXRBOEQPUSLNOH-UHFFFAOYSA-N 1 2 372.816 2.160 20 30 FEEDLO C[N@H+](Cc1ncccn1)[C@H]1CCN(C(=O)Nc2cnc(C#N)c(Cl)c2)C1 ZINC000455766860 560494286 /nfs/dbraw/zinc/49/42/86/560494286.db2.gz UMIYZTQRKJLEPA-ZDUSSCGKSA-N 1 2 371.832 2.135 20 30 FEEDLO C[N@@H+](Cc1ncccn1)[C@H]1CCN(C(=O)Nc2cnc(C#N)c(Cl)c2)C1 ZINC000455766860 560494287 /nfs/dbraw/zinc/49/42/87/560494287.db2.gz UMIYZTQRKJLEPA-ZDUSSCGKSA-N 1 2 371.832 2.135 20 30 FEEDLO Cc1cc(C#N)cc(NC(=O)[C@@H](Cc2c[nH+]c[nH]2)NC(=O)CC(C)C)c1 ZINC000456962543 560540679 /nfs/dbraw/zinc/54/06/79/560540679.db2.gz JXZNFRRXJOSNTI-QGZVFWFLSA-N 1 2 353.426 2.302 20 30 FEEDLO Cc1cc(C#N)cc(NC(=O)[C@@H](Cc2c[nH]c[nH+]2)NC(=O)CC(C)C)c1 ZINC000456962543 560540680 /nfs/dbraw/zinc/54/06/80/560540680.db2.gz JXZNFRRXJOSNTI-QGZVFWFLSA-N 1 2 353.426 2.302 20 30 FEEDLO Cc1cc(C(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)ncc1C#N ZINC000457393062 560564980 /nfs/dbraw/zinc/56/49/80/560564980.db2.gz RBYIVSGMNPXBDL-IBGZPJMESA-N 1 2 350.422 2.065 20 30 FEEDLO C=CCC[C@H](CO)NC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(OC)cc1 ZINC000457554351 560574270 /nfs/dbraw/zinc/57/42/70/560574270.db2.gz FEUSUUQIVBLKLO-NVXWUHKLSA-N 1 2 358.442 2.144 20 30 FEEDLO C=CCC[C@@H](CO)NC(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000457938312 560595189 /nfs/dbraw/zinc/59/51/89/560595189.db2.gz GQINATPHRTZFNZ-LBPRGKRZSA-N 1 2 367.247 2.223 20 30 FEEDLO C=CCC[C@H](CO)NC(=O)NC[C@@H](c1cccs1)[N@H+]1CCO[C@H](C)C1 ZINC000458517048 560628928 /nfs/dbraw/zinc/62/89/28/560628928.db2.gz QKUVUYMIAJFABV-OAGGEKHMSA-N 1 2 367.515 2.136 20 30 FEEDLO C=CCC[C@H](CO)NC(=O)NC[C@@H](c1cccs1)[N@@H+]1CCO[C@H](C)C1 ZINC000458517048 560628930 /nfs/dbraw/zinc/62/89/30/560628930.db2.gz QKUVUYMIAJFABV-OAGGEKHMSA-N 1 2 367.515 2.136 20 30 FEEDLO CSc1ccccc1NC(=O)CN(C)C(=O)C[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000459444778 560686931 /nfs/dbraw/zinc/68/69/31/560686931.db2.gz ARTQCPGHZLFFRH-ZIAGYGMSSA-N 1 2 360.483 2.087 20 30 FEEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000459457847 560687622 /nfs/dbraw/zinc/68/76/22/560687622.db2.gz DUZSJGWESYRULU-NVXWUHKLSA-N 1 2 357.458 2.234 20 30 FEEDLO CCCN(CC(=O)Nc1ccccc1OC)C(=O)C[NH2+][C@@H]1CCC[C@H]1C#N ZINC000459477003 560688795 /nfs/dbraw/zinc/68/87/95/560688795.db2.gz YDWNMRDBWJRJLB-JKSUJKDBSA-N 1 2 372.469 2.154 20 30 FEEDLO Cc1cc(C(=O)N2CC[N@H+](CCCOc3cccc(C#N)c3)[C@H](C)C2)n[nH]1 ZINC000459579752 560695606 /nfs/dbraw/zinc/69/56/06/560695606.db2.gz AEXNKZLDMADWOE-MRXNPFEDSA-N 1 2 367.453 2.205 20 30 FEEDLO Cc1cc(C(=O)N2CC[N@@H+](CCCOc3cccc(C#N)c3)[C@H](C)C2)n[nH]1 ZINC000459579752 560695607 /nfs/dbraw/zinc/69/56/07/560695607.db2.gz AEXNKZLDMADWOE-MRXNPFEDSA-N 1 2 367.453 2.205 20 30 FEEDLO C=C[C@@H](CO)NC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000460179039 560737230 /nfs/dbraw/zinc/73/72/30/560737230.db2.gz XBRVQSPIALBVMF-SWLSCSKDSA-N 1 2 355.841 2.462 20 30 FEEDLO Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000461732780 560780764 /nfs/dbraw/zinc/78/07/64/560780764.db2.gz OCFFVRJFKFOQAG-SFHVURJKSA-N 1 2 372.432 2.660 20 30 FEEDLO Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000461732780 560780765 /nfs/dbraw/zinc/78/07/65/560780765.db2.gz OCFFVRJFKFOQAG-SFHVURJKSA-N 1 2 372.432 2.660 20 30 FEEDLO Cc1ccc2c(CCC(=O)N(CCC#N)CC[NH+]3CCOCC3)c[nH]c2c1 ZINC000465172972 560859738 /nfs/dbraw/zinc/85/97/38/560859738.db2.gz DGCBLNGRQBSZDH-UHFFFAOYSA-N 1 2 368.481 2.483 20 30 FEEDLO C[NH+](C)Cc1nc(C2(NC(=O)CSCC#N)CCCCCC2)no1 ZINC000467186549 560905847 /nfs/dbraw/zinc/90/58/47/560905847.db2.gz NFNHTCKWRIMBFA-UHFFFAOYSA-N 1 2 351.476 2.054 20 30 FEEDLO CC(C)n1cc(C#N)c(=NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)[nH]1 ZINC000468912637 560942113 /nfs/dbraw/zinc/94/21/13/560942113.db2.gz HIAFBCZYKJAMBC-UHFFFAOYSA-N 1 2 365.353 2.682 20 30 FEEDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C ZINC000469990098 560971005 /nfs/dbraw/zinc/97/10/05/560971005.db2.gz FJJAREPXHYLDGZ-IBGZPJMESA-N 1 2 360.458 2.439 20 30 FEEDLO C=CCOCCC[NH+]1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000470721329 560988093 /nfs/dbraw/zinc/98/80/93/560988093.db2.gz CKRDIELFBDJGRC-UHFFFAOYSA-N 1 2 358.891 2.239 20 30 FEEDLO CC(C)c1nnc(CCC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)o1 ZINC000473481690 561050767 /nfs/dbraw/zinc/05/07/67/561050767.db2.gz RBQPWMJQFHEGKF-UHFFFAOYSA-N 1 2 367.453 2.342 20 30 FEEDLO C=CCCC1(C(=O)N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)CC1 ZINC000476063661 561110589 /nfs/dbraw/zinc/11/05/89/561110589.db2.gz MUQOCVNUARLTSQ-GOSISDBHSA-N 1 2 358.482 2.317 20 30 FEEDLO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)c2cnn(C)c2C#N)CC1 ZINC000476119685 561111508 /nfs/dbraw/zinc/11/15/08/561111508.db2.gz IRNPDWACBMRBOX-ZDUSSCGKSA-N 1 2 357.845 2.464 20 30 FEEDLO N#Cc1ncccc1OCC(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000477059278 561135535 /nfs/dbraw/zinc/13/55/35/561135535.db2.gz QWMHMAFOPHAMME-UHFFFAOYSA-N 1 2 370.840 2.330 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCC[C@H]3CCCOC3)CC2)cc1 ZINC000528096985 562314017 /nfs/dbraw/zinc/31/40/17/562314017.db2.gz VJPPFIOAWVDMAW-LJQANCHMSA-N 1 2 356.470 2.202 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCC[C@@H]3CCCOC3)CC2)cc1 ZINC000528096872 562314115 /nfs/dbraw/zinc/31/41/15/562314115.db2.gz VJPPFIOAWVDMAW-IBGZPJMESA-N 1 2 356.470 2.202 20 30 FEEDLO N#Cc1ccccc1OC[C@H](O)C[NH+]1CCN(c2cccc(F)c2F)CC1 ZINC000528385187 562326037 /nfs/dbraw/zinc/32/60/37/562326037.db2.gz XPFBYPFBSMOSIB-MRXNPFEDSA-N 1 2 373.403 2.398 20 30 FEEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCO[C@H](COCC)C1 ZINC000528724693 562344038 /nfs/dbraw/zinc/34/40/38/562344038.db2.gz USZJGMVICTUYDC-HOTGVXAUSA-N 1 2 352.500 2.389 20 30 FEEDLO N#Cc1ccc(C2(NC(=O)[C@H]3CCn4c[nH+]cc4C3)CCOCC2)cc1 ZINC000530061303 562396537 /nfs/dbraw/zinc/39/65/37/562396537.db2.gz SUVJBIXEEOXKKR-INIZCTEOSA-N 1 2 350.422 2.139 20 30 FEEDLO C[C@@H]1CN(c2ccc(CNC(=O)Cc3cccc(C#N)c3)c[nH+]2)CCO1 ZINC000531384694 562444077 /nfs/dbraw/zinc/44/40/77/562444077.db2.gz UATAPQCABVJHOY-OAHLLOKOSA-N 1 2 350.422 2.037 20 30 FEEDLO N#Cc1ccc(Nc2cccc(C(=O)NC[C@@H]3C[NH+]4CCN3CC4)c2)cc1 ZINC000532638553 562484201 /nfs/dbraw/zinc/48/42/01/562484201.db2.gz YIKBXWONXDNAIH-HXUWFJFHSA-N 1 2 361.449 2.031 20 30 FEEDLO C[N@H+]1Cc2ccccc2[C@@H](NS(=O)(=O)Cc2cc(C#N)ccc2F)C1 ZINC000534305009 562530831 /nfs/dbraw/zinc/53/08/31/562530831.db2.gz IQFCLYSDJXGZJU-SFHVURJKSA-N 1 2 359.426 2.303 20 30 FEEDLO C[N@@H+]1Cc2ccccc2[C@@H](NS(=O)(=O)Cc2cc(C#N)ccc2F)C1 ZINC000534305009 562530832 /nfs/dbraw/zinc/53/08/32/562530832.db2.gz IQFCLYSDJXGZJU-SFHVURJKSA-N 1 2 359.426 2.303 20 30 FEEDLO C=CC[C@H](CO)CNC(=O)C1CCN(c2ccc3cccc(O)c3[nH+]2)CC1 ZINC000541892005 562622353 /nfs/dbraw/zinc/62/23/53/562622353.db2.gz SYVGWHFTVPDNHE-HNNXBMFYSA-N 1 2 369.465 2.458 20 30 FEEDLO N#CC[C@H](CC(=O)N1CC[NH+](CCc2cnccn2)CC1)c1ccccc1 ZINC000601888092 567866024 /nfs/dbraw/zinc/86/60/24/567866024.db2.gz PIRVTDMDNNCVKG-LJQANCHMSA-N 1 2 363.465 2.251 20 30 FEEDLO CC(C)OC(=O)Cc1nc(C[NH+]2C[C@H](C)N(CC#N)[C@@H](C)C2)cs1 ZINC000602856423 568002427 /nfs/dbraw/zinc/00/24/27/568002427.db2.gz LLBOMWXLUCZPMC-KBPBESRZSA-N 1 2 350.488 2.055 20 30 FEEDLO CC(C)[C@H](CNC(=O)C[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1)c1ccccc1 ZINC000602858469 568002870 /nfs/dbraw/zinc/00/28/70/568002870.db2.gz BHLZYWJHZHOJNI-GGPKGHCWSA-N 1 2 356.514 2.461 20 30 FEEDLO Cc1cc(C)cc(OCCN(C)C(=O)C[N@@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)c1 ZINC000602864210 568007800 /nfs/dbraw/zinc/00/78/00/568007800.db2.gz QCDDRPBVONUPCT-KDURUIRLSA-N 1 2 372.513 2.059 20 30 FEEDLO Cc1cc(C)cc(OCCN(C)C(=O)C[N@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)c1 ZINC000602864210 568007801 /nfs/dbraw/zinc/00/78/01/568007801.db2.gz QCDDRPBVONUPCT-KDURUIRLSA-N 1 2 372.513 2.059 20 30 FEEDLO CCCn1c(C[NH2+][C@@H](C)CC#N)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000602864537 568007949 /nfs/dbraw/zinc/00/79/49/568007949.db2.gz RUVDGJWKSJAUMT-ZDUSSCGKSA-N 1 2 363.487 2.088 20 30 FEEDLO C[N@H+](CC(=O)NCc1ccc(C(=O)N2CCCC2)cc1)[C@H]1CCC[C@@H]1C#N ZINC000602975379 568035920 /nfs/dbraw/zinc/03/59/20/568035920.db2.gz AETOOMGBNMPNOO-MOPGFXCFSA-N 1 2 368.481 2.163 20 30 FEEDLO C[N@@H+](CC(=O)NCc1ccc(C(=O)N2CCCC2)cc1)[C@H]1CCC[C@@H]1C#N ZINC000602975379 568035922 /nfs/dbraw/zinc/03/59/22/568035922.db2.gz AETOOMGBNMPNOO-MOPGFXCFSA-N 1 2 368.481 2.163 20 30 FEEDLO C[C@H](c1cccc(NC(=O)N2CCN(CCC#N)CC2)c1)[NH+]1CCOCC1 ZINC000602831819 568048025 /nfs/dbraw/zinc/04/80/25/568048025.db2.gz IIIWJQNUBVCNJU-QGZVFWFLSA-N 1 2 371.485 2.143 20 30 FEEDLO Cc1nc([C@H]2CCCC[N@@H+]2C[C@@H](O)COc2ccc(CC#N)cc2)no1 ZINC000603844415 568156319 /nfs/dbraw/zinc/15/63/19/568156319.db2.gz GAGULEYKOKGIHT-SJLPKXTDSA-N 1 2 356.426 2.411 20 30 FEEDLO Cc1nc([C@H]2CCCC[N@H+]2C[C@@H](O)COc2ccc(CC#N)cc2)no1 ZINC000603844415 568156320 /nfs/dbraw/zinc/15/63/20/568156320.db2.gz GAGULEYKOKGIHT-SJLPKXTDSA-N 1 2 356.426 2.411 20 30 FEEDLO Cn1cc(C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)c([C@H]2CCOC2)n1 ZINC000330343644 568268000 /nfs/dbraw/zinc/26/80/00/568268000.db2.gz CDVDPKIMWUOCQQ-INIZCTEOSA-N 1 2 370.453 2.393 20 30 FEEDLO COC(=O)c1cccc(C[N@@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)c1C#N ZINC000569071291 568270501 /nfs/dbraw/zinc/27/05/01/568270501.db2.gz OEAGSBIJOGSLCP-IUODEOHRSA-N 1 2 356.344 2.480 20 30 FEEDLO COC(=O)c1cccc(C[N@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)c1C#N ZINC000569071291 568270502 /nfs/dbraw/zinc/27/05/02/568270502.db2.gz OEAGSBIJOGSLCP-IUODEOHRSA-N 1 2 356.344 2.480 20 30 FEEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)s2)c2cc(F)ccc2C[NH2+]1 ZINC000569238118 568317309 /nfs/dbraw/zinc/31/73/09/568317309.db2.gz OWIRMFWFDQIGAL-SNVBAGLBSA-N 1 2 351.428 2.446 20 30 FEEDLO CC(=O)NCC[N@@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 ZINC000570159802 568457254 /nfs/dbraw/zinc/45/72/54/568457254.db2.gz ORGKFUIJQZPOCK-UHFFFAOYSA-N 1 2 373.501 2.488 20 30 FEEDLO CC(=O)NCC[N@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 ZINC000570159802 568457255 /nfs/dbraw/zinc/45/72/55/568457255.db2.gz ORGKFUIJQZPOCK-UHFFFAOYSA-N 1 2 373.501 2.488 20 30 FEEDLO Fc1ccc(C#CC[NH+]2CCN(c3ccccc3-c3nn[nH]n3)CC2)cc1 ZINC000826373176 607525449 /nfs/dbraw/zinc/52/54/49/607525449.db2.gz CDUASEMZLQOUJW-UHFFFAOYSA-N 1 2 362.412 2.180 20 30 FEEDLO Clc1cc(-c2nn[nH]n2)cc(N=NC2CCN(c3cccc[nH+]3)CC2)n1 ZINC000826350275 608539187 /nfs/dbraw/zinc/53/91/87/608539187.db2.gz OWVQWGODFWYIHT-UHFFFAOYSA-N 1 2 369.820 2.378 20 30 FEEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CC[C@H](c2nnc[nH]2)C1 ZINC000563022174 674836141 /nfs/dbraw/zinc/83/61/41/674836141.db2.gz PGDMTQDXUBHQBW-MNOVXSKESA-N 1 2 356.455 2.043 20 30 FEEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CC[C@H](c2nnc[nH]2)C1 ZINC000563022174 674836144 /nfs/dbraw/zinc/83/61/44/674836144.db2.gz PGDMTQDXUBHQBW-MNOVXSKESA-N 1 2 356.455 2.043 20 30 FEEDLO N#CCCOCC[NH+]1CCC(O)(c2scnc2Br)CC1 ZINC000815105317 674919216 /nfs/dbraw/zinc/91/92/16/674919216.db2.gz KVELKNYECUQXPW-UHFFFAOYSA-N 1 2 360.277 2.119 20 30 FEEDLO COC(=O)c1ccc(C[NH+]2CCN(c3snc(C)c3C#N)CC2)cc1 ZINC000571091999 670815180 /nfs/dbraw/zinc/81/51/80/670815180.db2.gz GWRFQYDNBQGKQK-UHFFFAOYSA-N 1 2 356.451 2.432 20 30 FEEDLO CC(C)(C#N)CCS(=O)(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000572079938 670958598 /nfs/dbraw/zinc/95/85/98/670958598.db2.gz ANRLFSBENNBHBN-UHFFFAOYSA-N 1 2 360.483 2.333 20 30 FEEDLO NC(=NOCc1ccc(Cl)cn1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000120324460 671922805 /nfs/dbraw/zinc/92/28/05/671922805.db2.gz NOBJNYHHSNPCQC-QGZVFWFLSA-N 1 2 360.845 2.425 20 30 FEEDLO NC(=NOCc1ccc(Cl)cn1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000120324460 671922808 /nfs/dbraw/zinc/92/28/08/671922808.db2.gz NOBJNYHHSNPCQC-QGZVFWFLSA-N 1 2 360.845 2.425 20 30 FEEDLO NC(Cc1cccnc1)=[NH+]OCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000137637804 672142530 /nfs/dbraw/zinc/14/25/30/672142530.db2.gz NHAUYMNZHGOKAI-UHFFFAOYSA-N 1 2 363.761 2.113 20 30 FEEDLO CC[C@H]1C[N@H+](CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)CCS1 ZINC000173508145 672352710 /nfs/dbraw/zinc/35/27/10/672352710.db2.gz YOVASAFJTVFIBY-MAUKXSAKSA-N 1 2 358.467 2.110 20 30 FEEDLO CC[C@H]1C[N@@H+](CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)CCS1 ZINC000173508145 672352715 /nfs/dbraw/zinc/35/27/15/672352715.db2.gz YOVASAFJTVFIBY-MAUKXSAKSA-N 1 2 358.467 2.110 20 30 FEEDLO Cc1[nH+]c[nH]c1CNC(=O)C1CN(c2ccc(Br)cc2C#N)C1 ZINC000592768941 672836061 /nfs/dbraw/zinc/83/60/61/672836061.db2.gz ASVFTYSVEVICRO-UHFFFAOYSA-N 1 2 374.242 2.105 20 30 FEEDLO C=C(C)[C@@H](CO)[N@H+](C)Cc1cn(-c2cccc(Br)c2)nn1 ZINC000684628767 672951141 /nfs/dbraw/zinc/95/11/41/672951141.db2.gz UAQIYLSYIAVZPQ-OAHLLOKOSA-N 1 2 351.248 2.399 20 30 FEEDLO C=C(C)[C@@H](CO)[N@@H+](C)Cc1cn(-c2cccc(Br)c2)nn1 ZINC000684628767 672951144 /nfs/dbraw/zinc/95/11/44/672951144.db2.gz UAQIYLSYIAVZPQ-OAHLLOKOSA-N 1 2 351.248 2.399 20 30 FEEDLO N#Cc1cc(Br)ccc1CC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000593619026 672959482 /nfs/dbraw/zinc/95/94/82/672959482.db2.gz ZZCVHMNPSBXCLG-AWEZNQCLSA-N 1 2 359.227 2.191 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)N2CC3(C2)C[NH+](Cc2ccccc2)C3)s1 ZINC000706937341 673063282 /nfs/dbraw/zinc/06/32/82/673063282.db2.gz JPDNGLOYTKFWRE-UHFFFAOYSA-N 1 2 359.476 2.126 20 30 FEEDLO CN(CC(=O)Nc1ccccc1Cl)C(=O)C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595609420 673273506 /nfs/dbraw/zinc/27/35/06/673273506.db2.gz JMKDUPZMKGOZDK-AWEZNQCLSA-N 1 2 362.861 2.363 20 30 FEEDLO CN(CC(=O)Nc1ccccc1Cl)C(=O)C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595609420 673273510 /nfs/dbraw/zinc/27/35/10/673273510.db2.gz JMKDUPZMKGOZDK-AWEZNQCLSA-N 1 2 362.861 2.363 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[NH+]2CCC([C@@H]3CCCCO3)CC2)nc1 ZINC000595782132 673324966 /nfs/dbraw/zinc/32/49/66/673324966.db2.gz HMMNNAQMGASPJT-KRWDZBQOSA-N 1 2 363.483 2.008 20 30 FEEDLO C[C@@H](c1ccsc1)[NH+]1CCN(C[C@H](O)CC2(C#N)CCOCC2)CC1 ZINC000599360005 673663379 /nfs/dbraw/zinc/66/33/79/673663379.db2.gz IZQZPGDSPZRROU-FUHWJXTLSA-N 1 2 363.527 2.498 20 30 FEEDLO N#CC1(C[C@@H](O)C[N@@H+]2CCSC[C@H]2c2nccs2)CCOCC1 ZINC000599373490 673665521 /nfs/dbraw/zinc/66/55/21/673665521.db2.gz XFBPTKBFZUOURG-KGLIPLIRSA-N 1 2 353.513 2.304 20 30 FEEDLO N#CC1(C[C@@H](O)C[N@H+]2CCSC[C@H]2c2nccs2)CCOCC1 ZINC000599373490 673665522 /nfs/dbraw/zinc/66/55/22/673665522.db2.gz XFBPTKBFZUOURG-KGLIPLIRSA-N 1 2 353.513 2.304 20 30 FEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC000741710973 673694920 /nfs/dbraw/zinc/69/49/20/673694920.db2.gz KOEPCUQKXIPDEJ-WBVHZDCISA-N 1 2 359.857 2.049 20 30 FEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC000741710973 673694923 /nfs/dbraw/zinc/69/49/23/673694923.db2.gz KOEPCUQKXIPDEJ-WBVHZDCISA-N 1 2 359.857 2.049 20 30 FEEDLO N#Cc1cc(S(N)(=O)=O)ccc1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC000742175133 673709506 /nfs/dbraw/zinc/70/95/06/673709506.db2.gz UCICTJWCFNOWEM-UHFFFAOYSA-N 1 2 357.439 2.335 20 30 FEEDLO C=C[C@H](O)C(=O)N(CCn1cc[nH+]c1)Cc1ccccc1Br ZINC000614440870 676174872 /nfs/dbraw/zinc/17/48/72/676174872.db2.gz SAIBLBMFYDHLDL-HNNXBMFYSA-N 1 2 364.243 2.221 20 30 FEEDLO N#Cc1cccc(NC(=O)NCc2cc[nH+]c(N3CCSCC3)c2)n1 ZINC000603044605 673915785 /nfs/dbraw/zinc/91/57/85/673915785.db2.gz QKPGOVGXEIVSBK-UHFFFAOYSA-N 1 2 354.439 2.223 20 30 FEEDLO CC1CC[NH+](Cc2csc(NC(=O)CN3CC[C@](F)(C#N)C3)n2)CC1 ZINC000615638988 676222606 /nfs/dbraw/zinc/22/26/06/676222606.db2.gz KMWZNNLTQGYNKL-KRWDZBQOSA-N 1 2 365.478 2.251 20 30 FEEDLO N#Cc1ccc(CSCC(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000603681421 675800747 /nfs/dbraw/zinc/80/07/47/675800747.db2.gz ILKLUZGHDUXMIA-GOSISDBHSA-N 1 2 359.495 2.115 20 30 FEEDLO C#CC[C@@H]1CCC[N@@H+](Cc2nc(=O)c3c(C)c(C(=O)OC)sc3[nH]2)C1 ZINC000829788948 675890963 /nfs/dbraw/zinc/89/09/63/675890963.db2.gz KHQZKDPFLBOWHE-GFCCVEGCSA-N 1 2 359.451 2.315 20 30 FEEDLO C#CC[C@@H]1CCC[N@H+](Cc2nc(=O)c3c(C)c(C(=O)OC)sc3[nH]2)C1 ZINC000829788948 675890967 /nfs/dbraw/zinc/89/09/67/675890967.db2.gz KHQZKDPFLBOWHE-GFCCVEGCSA-N 1 2 359.451 2.315 20 30 FEEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1C[C@H](OC)C[C@@]1(C)CO ZINC000640007650 677171202 /nfs/dbraw/zinc/17/12/02/677171202.db2.gz FPFBLCHQBUMMBC-KDOFPFPSSA-N 1 2 350.484 2.375 20 30 FEEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1C[C@H](OC)C[C@@]1(C)CO ZINC000640007650 677171203 /nfs/dbraw/zinc/17/12/03/677171203.db2.gz FPFBLCHQBUMMBC-KDOFPFPSSA-N 1 2 350.484 2.375 20 30 FEEDLO CC#CC[NH2+]Cc1cn([C@H](C)C(=O)Nc2cc(Cl)ccc2OC)nn1 ZINC000640802627 677189064 /nfs/dbraw/zinc/18/90/64/677189064.db2.gz QVDFAEQVXMTDJD-GFCCVEGCSA-N 1 2 361.833 2.253 20 30 FEEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)n1cc(Cn2cc[nH+]c2)nn1 ZINC000640930931 677191992 /nfs/dbraw/zinc/19/19/92/677191992.db2.gz WNYBVYCFVWBFBM-AWEZNQCLSA-N 1 2 356.455 2.360 20 30 FEEDLO CC#CC[NH2+]Cc1cn(CC(=O)Nc2nc(-c3cccs3)cs2)nn1 ZINC000640969411 677192562 /nfs/dbraw/zinc/19/25/62/677192562.db2.gz CKEIGSAGHIWWIH-UHFFFAOYSA-N 1 2 372.479 2.215 20 30 FEEDLO CC#CC[C@H](CO)NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000645391146 677258702 /nfs/dbraw/zinc/25/87/02/677258702.db2.gz HOWPUFLWGNVFBS-XYPHTWIQSA-N 1 2 367.852 2.298 20 30 FEEDLO CC#CC[C@H](CO)NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000645391146 677258703 /nfs/dbraw/zinc/25/87/03/677258703.db2.gz HOWPUFLWGNVFBS-XYPHTWIQSA-N 1 2 367.852 2.298 20 30 FEEDLO CCOC(=O)CC(C)(C)C[NH+]1CCN(c2snc(C)c2C#N)CC1 ZINC000839107551 680738443 /nfs/dbraw/zinc/73/84/43/680738443.db2.gz HRNATIZOTYXRMX-UHFFFAOYSA-N 1 2 350.488 2.425 20 30 FEEDLO C#CC[N@@H+](CC(=O)N(C)CCOc1ccc(Br)cc1)C1CC1 ZINC000763955596 680796585 /nfs/dbraw/zinc/79/65/85/680796585.db2.gz DEVCPZFWGPQEAJ-UHFFFAOYSA-N 1 2 365.271 2.384 20 30 FEEDLO C#CC[N@H+](CC(=O)N(C)CCOc1ccc(Br)cc1)C1CC1 ZINC000763955596 680796586 /nfs/dbraw/zinc/79/65/86/680796586.db2.gz DEVCPZFWGPQEAJ-UHFFFAOYSA-N 1 2 365.271 2.384 20 30 FEEDLO C=C(Cl)C(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3)[C@@H]2C1 ZINC000974635308 679968354 /nfs/dbraw/zinc/96/83/54/679968354.db2.gz YDZFNRZSYWSJMG-HUUCEWRRSA-N 1 2 364.877 2.111 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@]12CCC[C@@H]1[N@H+](Cc1cnns1)CC2 ZINC000990745054 680071571 /nfs/dbraw/zinc/07/15/71/680071571.db2.gz XBEQJOFUVQQFHM-MUQADHOPSA-N 1 2 362.499 2.133 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@]12CCC[C@@H]1[N@@H+](Cc1cnns1)CC2 ZINC000990745054 680071576 /nfs/dbraw/zinc/07/15/76/680071576.db2.gz XBEQJOFUVQQFHM-MUQADHOPSA-N 1 2 362.499 2.133 20 30 FEEDLO O=C(N1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)CC1)[C@]12C[C@H]1COC2 ZINC000981202271 680220586 /nfs/dbraw/zinc/22/05/86/680220586.db2.gz DUYQTNBXWKYWKL-PXNSSMCTSA-N 1 2 358.869 2.262 20 30 FEEDLO O=C(N1CCC[N@H+](CC#Cc2ccc(Cl)cc2)CC1)[C@]12C[C@H]1COC2 ZINC000981202271 680220587 /nfs/dbraw/zinc/22/05/87/680220587.db2.gz DUYQTNBXWKYWKL-PXNSSMCTSA-N 1 2 358.869 2.262 20 30 FEEDLO C[C@H]1C[N@@H+](C)CC1N=Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000752169773 680226225 /nfs/dbraw/zinc/22/62/25/680226225.db2.gz YXOVOIWFVFWOIF-NSHDSACASA-N 1 2 365.484 2.293 20 30 FEEDLO C=C(Br)C[N@H+]1CCCC2(CN(C(=O)[C@H]3OCC[C@H]3C)C2)C1 ZINC000982018944 680263517 /nfs/dbraw/zinc/26/35/17/680263517.db2.gz NLGXJZUZRYDVDH-OCCSQVGLSA-N 1 2 357.292 2.244 20 30 FEEDLO C=C(Br)C[N@@H+]1CCCC2(CN(C(=O)[C@H]3OCC[C@H]3C)C2)C1 ZINC000982018944 680263520 /nfs/dbraw/zinc/26/35/20/680263520.db2.gz NLGXJZUZRYDVDH-OCCSQVGLSA-N 1 2 357.292 2.244 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2nnsc2Cl)C1 ZINC000983697171 680322141 /nfs/dbraw/zinc/32/21/41/680322141.db2.gz ADFYINYXDJTGSZ-BYNQJWBRSA-N 1 2 370.906 2.157 20 30 FEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@H]([NH2+]Cc2cnsn2)C(C)(C)C1 ZINC000996394768 680331296 /nfs/dbraw/zinc/33/12/96/680331296.db2.gz PEXLBBZXRNJQLP-JYJNAYRXSA-N 1 2 364.515 2.236 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC1CCC([NH2+]Cc2nnsc2Cl)CC1 ZINC001026564131 680347183 /nfs/dbraw/zinc/34/71/83/680347183.db2.gz SOUISEGVRDKKTQ-YZVRNYIASA-N 1 2 370.906 2.300 20 30 FEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2OCCO[C@@H]2c2ccccc2)C1 ZINC001033156164 680418571 /nfs/dbraw/zinc/41/85/71/680418571.db2.gz QBNSRFZDZDEHFP-KZNAEPCWSA-N 1 2 364.873 2.428 20 30 FEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2OCCO[C@@H]2c2ccccc2)C1 ZINC001033156164 680418572 /nfs/dbraw/zinc/41/85/72/680418572.db2.gz QBNSRFZDZDEHFP-KZNAEPCWSA-N 1 2 364.873 2.428 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC1CC[NH+]([C@H](C)c2nnc(C)s2)CC1 ZINC001002848450 680510560 /nfs/dbraw/zinc/51/05/60/680510560.db2.gz KLPCWRWZSIBYCI-WQVCFCJDSA-N 1 2 364.515 2.469 20 30 FEEDLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@H](Nc2ncc(C#N)cc2Cl)C1 ZINC001043272597 680570898 /nfs/dbraw/zinc/57/08/98/680570898.db2.gz BXQCBMMXGYFNMW-MEBBXXQBSA-N 1 2 358.833 2.140 20 30 FEEDLO N#CCCCS(=O)(=O)c1ccc(C(=O)OCC[NH+]2CCCCC2)cc1 ZINC000770357926 681013680 /nfs/dbraw/zinc/01/36/80/681013680.db2.gz GNKRQPHHUNXVIE-UHFFFAOYSA-N 1 2 364.467 2.407 20 30 FEEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3sccc3C)C2)CC1 ZINC001052029067 681071033 /nfs/dbraw/zinc/07/10/33/681071033.db2.gz XBJJBCDRIUQLGB-KZNAEPCWSA-N 1 2 357.523 2.012 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](Cc2nnc(C)s2)CC1 ZINC001052785890 681086092 /nfs/dbraw/zinc/08/60/92/681086092.db2.gz LDYZWBIMXULXIA-ZOBUZTSGSA-N 1 2 364.515 2.298 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2nnc(C)s2)CC1 ZINC001052785890 681086096 /nfs/dbraw/zinc/08/60/96/681086096.db2.gz LDYZWBIMXULXIA-ZOBUZTSGSA-N 1 2 364.515 2.298 20 30 FEEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1)CO2 ZINC001053905548 681104933 /nfs/dbraw/zinc/10/49/33/681104933.db2.gz JMLKFXCOFJOISE-MGPQQGTHSA-N 1 2 364.898 2.488 20 30 FEEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1)CO2 ZINC001053950319 681105450 /nfs/dbraw/zinc/10/54/50/681105450.db2.gz ZQXIAGWJUVNXPQ-FGTMMUONSA-N 1 2 358.869 2.426 20 30 FEEDLO C[N@H+](Cc1cc(C#N)cs1)C[C@](C)(O)c1ccc(S(C)(=O)=O)cc1 ZINC000933774150 681466636 /nfs/dbraw/zinc/46/66/36/681466636.db2.gz XJSHLRFYEMYUJJ-KRWDZBQOSA-N 1 2 364.492 2.363 20 30 FEEDLO C[N@@H+](Cc1cc(C#N)cs1)C[C@](C)(O)c1ccc(S(C)(=O)=O)cc1 ZINC000933774150 681466637 /nfs/dbraw/zinc/46/66/37/681466637.db2.gz XJSHLRFYEMYUJJ-KRWDZBQOSA-N 1 2 364.492 2.363 20 30 FEEDLO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CC[C@@H](O)[C@@H](F)C3)sc2C1 ZINC000934578319 681595808 /nfs/dbraw/zinc/59/58/08/681595808.db2.gz SHMYITQCPZJDFF-BYCMXARLSA-N 1 2 365.474 2.478 20 30 FEEDLO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CC[C@@H](O)[C@@H](F)C3)sc2C1 ZINC000934578319 681595816 /nfs/dbraw/zinc/59/58/16/681595816.db2.gz SHMYITQCPZJDFF-BYCMXARLSA-N 1 2 365.474 2.478 20 30 FEEDLO COc1cc(C=NNC2=[NH+]C[C@H](C)N2)ccc1OC(=O)c1cccs1 ZINC000779792145 681753158 /nfs/dbraw/zinc/75/31/58/681753158.db2.gz JQZDVPIFGUTXDU-NSHDSACASA-N 1 2 358.423 2.247 20 30 FEEDLO N#CCC1CC[NH+](CC(=O)Nc2sc3c(c2C(N)=O)CCCC3)CC1 ZINC000782088885 682005752 /nfs/dbraw/zinc/00/57/52/682005752.db2.gz OOZQXDGOULLBLO-UHFFFAOYSA-N 1 2 360.483 2.290 20 30 FEEDLO CC(C)(C#N)CS(=O)(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000915066308 685511718 /nfs/dbraw/zinc/51/17/18/685511718.db2.gz IKADJESQZUQXAP-UHFFFAOYSA-N 1 2 350.488 2.278 20 30 FEEDLO C=C(Cl)C(C)(C)C(=O)N1CC(N(CC)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000968091246 682230591 /nfs/dbraw/zinc/23/05/91/682230591.db2.gz GQXPTJUGTONBGF-ZIAGYGMSSA-N 1 2 364.877 2.351 20 30 FEEDLO C=C(Cl)C(C)(C)C(=O)N1CC(N(CC)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000968091246 682230594 /nfs/dbraw/zinc/23/05/94/682230594.db2.gz GQXPTJUGTONBGF-ZIAGYGMSSA-N 1 2 364.877 2.351 20 30 FEEDLO C#C[C@@H](NC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(Cl)cc1F ZINC000852322664 682260579 /nfs/dbraw/zinc/26/05/79/682260579.db2.gz PCPMTOZKCHKMQG-RHSMWYFYSA-N 1 2 365.836 2.270 20 30 FEEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C1 ZINC000852759526 682338136 /nfs/dbraw/zinc/33/81/36/682338136.db2.gz QEXOUUKDWVMBIJ-RDBSUJKOSA-N 1 2 363.424 2.188 20 30 FEEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C1 ZINC000852759526 682338139 /nfs/dbraw/zinc/33/81/39/682338139.db2.gz QEXOUUKDWVMBIJ-RDBSUJKOSA-N 1 2 363.424 2.188 20 30 FEEDLO COCCN(C)c1ccc(C=[NH+]Nc2ccc(S(C)(=O)=O)cc2)cn1 ZINC000790158544 682658772 /nfs/dbraw/zinc/65/87/72/682658772.db2.gz RXBOGZIMVOTOFJ-UHFFFAOYSA-N 1 2 362.455 2.014 20 30 FEEDLO C[C@H]1C[N@H+](CCNC(=O)C#Cc2ccc(C(F)(F)F)cc2)[C@@H](C)CO1 ZINC000855408597 682666740 /nfs/dbraw/zinc/66/67/40/682666740.db2.gz WJNBVJXEDRQCQG-KBPBESRZSA-N 1 2 354.372 2.282 20 30 FEEDLO C[C@H]1C[N@@H+](CCNC(=O)C#Cc2ccc(C(F)(F)F)cc2)[C@@H](C)CO1 ZINC000855408597 682666741 /nfs/dbraw/zinc/66/67/41/682666741.db2.gz WJNBVJXEDRQCQG-KBPBESRZSA-N 1 2 354.372 2.282 20 30 FEEDLO CC(C)CC[N@H+](CCC#N)C[C@@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1 ZINC000929781644 683638670 /nfs/dbraw/zinc/63/86/70/683638670.db2.gz UCWUEYNANWJLMQ-MRXNPFEDSA-N 1 2 373.563 2.250 20 30 FEEDLO CC(C)CC[N@@H+](CCC#N)C[C@@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1 ZINC000929781644 683638675 /nfs/dbraw/zinc/63/86/75/683638675.db2.gz UCWUEYNANWJLMQ-MRXNPFEDSA-N 1 2 373.563 2.250 20 30 FEEDLO CCS(=O)(=O)N(C)C1CC[NH+](Cc2cc(Cl)cc(C#N)c2)CC1 ZINC000929970697 683663347 /nfs/dbraw/zinc/66/33/47/683663347.db2.gz GAHQPXKZQARQCO-UHFFFAOYSA-N 1 2 355.891 2.458 20 30 FEEDLO C#CC1(O)CC[NH+](CC(=O)N[C@H](c2cccs2)c2ccccc2)CC1 ZINC000931144314 683840910 /nfs/dbraw/zinc/84/09/10/683840910.db2.gz YZPBYOGXLGABOD-IBGZPJMESA-N 1 2 354.475 2.414 20 30 FEEDLO C=C(C)[C@H](CC(=O)NC1CC[NH+](CC(=O)OC(C)(C)C)CC1)OCC ZINC000871542518 684827291 /nfs/dbraw/zinc/82/72/91/684827291.db2.gz GIFAZKCKLFLBBP-INIZCTEOSA-N 1 2 354.491 2.280 20 30 FEEDLO CC(=O)[C@](C#N)(CC[N@@H+]1CCCC[C@@H](S(C)(=O)=O)C1)c1ccccc1 ZINC000878519056 686600062 /nfs/dbraw/zinc/60/00/62/686600062.db2.gz ZJAAOHVGWRCQKD-RTBURBONSA-N 1 2 362.495 2.326 20 30 FEEDLO CC(=O)[C@](C#N)(CC[N@H+]1CCCC[C@@H](S(C)(=O)=O)C1)c1ccccc1 ZINC000878519056 686600068 /nfs/dbraw/zinc/60/00/68/686600068.db2.gz ZJAAOHVGWRCQKD-RTBURBONSA-N 1 2 362.495 2.326 20 30 FEEDLO C[C@]1(NC(=O)C(F)(F)F)CC[N@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000879763564 686903919 /nfs/dbraw/zinc/90/39/19/686903919.db2.gz OZZGESRIGBPPQP-AWEZNQCLSA-N 1 2 374.388 2.091 20 30 FEEDLO C[C@]1(NC(=O)C(F)(F)F)CC[N@@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000879763564 686903925 /nfs/dbraw/zinc/90/39/25/686903925.db2.gz OZZGESRIGBPPQP-AWEZNQCLSA-N 1 2 374.388 2.091 20 30 FEEDLO C#CCC1(O)CC[NH+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000880481507 687052851 /nfs/dbraw/zinc/05/28/51/687052851.db2.gz KALKNXFTAHSGAP-ZDUSSCGKSA-N 1 2 357.479 2.286 20 30 FEEDLO C=C(Br)C[N@@H+]1CC[C@]2(C1)CN(Cc1ccccc1)C(=O)CO2 ZINC000880496229 687054340 /nfs/dbraw/zinc/05/43/40/687054340.db2.gz UBNRZDQBFGCVLR-KRWDZBQOSA-N 1 2 365.271 2.399 20 30 FEEDLO C=C(Br)C[N@H+]1CC[C@]2(C1)CN(Cc1ccccc1)C(=O)CO2 ZINC000880496229 687054344 /nfs/dbraw/zinc/05/43/44/687054344.db2.gz UBNRZDQBFGCVLR-KRWDZBQOSA-N 1 2 365.271 2.399 20 30 FEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1nc(C)c(Cc2ccccc2)s1 ZINC000884095532 687788346 /nfs/dbraw/zinc/78/83/46/687788346.db2.gz RIDMGADDHCTSDG-AWEZNQCLSA-N 1 2 359.451 2.427 20 30 FEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCc1c(C)cc(Br)cc1C ZINC000884111720 687791830 /nfs/dbraw/zinc/79/18/30/687791830.db2.gz RCNXSCGECPWGMS-AWEZNQCLSA-N 1 2 369.259 2.129 20 30 FEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC1(c2cccc(Cl)c2)CCC1 ZINC000884469119 687876915 /nfs/dbraw/zinc/87/69/15/687876915.db2.gz XGTVERZPOOTIHM-HNNXBMFYSA-N 1 2 350.846 2.325 20 30 FEEDLO COC(=O)C[N@@H+](Cc1cc(Cl)ccc1O)C[C@@H](O)CC1(C#N)CCC1 ZINC000886065055 688198865 /nfs/dbraw/zinc/19/88/65/688198865.db2.gz OLVLYMIWEQSOSC-HNNXBMFYSA-N 1 2 366.845 2.465 20 30 FEEDLO COC(=O)C[N@H+](Cc1cc(Cl)ccc1O)C[C@@H](O)CC1(C#N)CCC1 ZINC000886065055 688198867 /nfs/dbraw/zinc/19/88/67/688198867.db2.gz OLVLYMIWEQSOSC-HNNXBMFYSA-N 1 2 366.845 2.465 20 30 FEEDLO COC(=O)C1([C@]2(O)CCC[N@H+](Cc3cc(C#N)cnc3Cl)C2)CCC1 ZINC000897702500 690067338 /nfs/dbraw/zinc/06/73/38/690067338.db2.gz PGZACRJQPXBFET-SFHVURJKSA-N 1 2 363.845 2.277 20 30 FEEDLO COC(=O)C1([C@]2(O)CCC[N@@H+](Cc3cc(C#N)cnc3Cl)C2)CCC1 ZINC000897702500 690067340 /nfs/dbraw/zinc/06/73/40/690067340.db2.gz PGZACRJQPXBFET-SFHVURJKSA-N 1 2 363.845 2.277 20 30 FEEDLO CN(C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)c1cc(Cl)ccc1C#N ZINC000903797331 690973163 /nfs/dbraw/zinc/97/31/63/690973163.db2.gz GBADAIUJWMARQQ-WBVHZDCISA-N 1 2 363.845 2.054 20 30 FEEDLO C[NH+]1CCN(CCCCNc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000526953212 887640331 /nfs/dbraw/zinc/64/03/31/887640331.db2.gz NPKOZQFYVGHLDB-UHFFFAOYSA-N 1 2 368.441 2.454 20 30 FEEDLO CCC[N@H+](CC(=O)Nc1ccccc1OC)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000011221070 539525826 /nfs/dbraw/zinc/52/58/26/539525826.db2.gz SADYABZOHLBUHG-HXUWFJFHSA-N 1 2 372.469 2.154 20 30 FEEDLO CCC[N@@H+](CC(=O)Nc1ccccc1OC)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000011221070 539525831 /nfs/dbraw/zinc/52/58/31/539525831.db2.gz SADYABZOHLBUHG-HXUWFJFHSA-N 1 2 372.469 2.154 20 30 FEEDLO N#Cc1ccc(CCC(=O)NCc2ccc(N3CCOCC3)[nH+]c2)cc1 ZINC000011153627 539525421 /nfs/dbraw/zinc/52/54/21/539525421.db2.gz VCTCYLKSEFPRPW-UHFFFAOYSA-N 1 2 350.422 2.039 20 30 FEEDLO N#Cc1cc(NCC[NH+]2CCN(C(=O)C3CCC3)CC2)nc2ccccc12 ZINC000522904358 539587493 /nfs/dbraw/zinc/58/74/93/539587493.db2.gz MSWVMPHZVSHZKP-UHFFFAOYSA-N 1 2 363.465 2.463 20 30 FEEDLO Cc1oc(NC(=O)C[N@@H+](C)Cc2cccc(C#N)c2)c2c1c(C)n[nH]c2=O ZINC000026328599 539783478 /nfs/dbraw/zinc/78/34/78/539783478.db2.gz MUMOQWLTKSVKBO-UHFFFAOYSA-N 1 2 365.393 2.075 20 30 FEEDLO Cc1oc(NC(=O)C[N@H+](C)Cc2cccc(C#N)c2)c2c1c(C)n[nH]c2=O ZINC000026328599 539783481 /nfs/dbraw/zinc/78/34/81/539783481.db2.gz MUMOQWLTKSVKBO-UHFFFAOYSA-N 1 2 365.393 2.075 20 30 FEEDLO CC(C)COCCCNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000026265734 539781968 /nfs/dbraw/zinc/78/19/68/539781968.db2.gz VPXVLZLKPKASDQ-UHFFFAOYSA-N 1 2 358.486 2.448 20 30 FEEDLO C#CC[NH+]1CCN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2C)CC1 ZINC000800734223 674072888 /nfs/dbraw/zinc/07/28/88/674072888.db2.gz GVKAHXUILMOJAF-CQSZACIVSA-N 1 2 355.511 2.424 20 30 FEEDLO C[C@@H]1C[C@@H](C)CN(C(=O)C[NH+]2CCN(c3cccc(F)c3C#N)CC2)C1 ZINC000030967925 539895275 /nfs/dbraw/zinc/89/52/75/539895275.db2.gz CZSIYAKUMQSPRF-HZPDHXFCSA-N 1 2 358.461 2.324 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)NCc2ccccc2Cn2cc[nH+]c2)cc1 ZINC000031559971 539911151 /nfs/dbraw/zinc/91/11/51/539911151.db2.gz IEOOITZSURIFRF-UHFFFAOYSA-N 1 2 352.419 2.282 20 30 FEEDLO N#Cc1cccc(NC(=O)C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000041550647 540024806 /nfs/dbraw/zinc/02/48/06/540024806.db2.gz KEEZNWGGZAFBKS-UHFFFAOYSA-N 1 2 359.389 2.058 20 30 FEEDLO CC[NH+](CC)[C@H](CNS(=O)(=O)N(C)CCC#N)c1ccccc1Cl ZINC000045797953 540228587 /nfs/dbraw/zinc/22/85/87/540228587.db2.gz YGSGWGLNPOWNNI-MRXNPFEDSA-N 1 2 372.922 2.403 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3csc([N+](=O)[O-])c3)CC2)cc1 ZINC000046896107 540275975 /nfs/dbraw/zinc/27/59/75/540275975.db2.gz HPBLCLFXZJFTJB-UHFFFAOYSA-N 1 2 356.407 2.486 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000047744682 540326942 /nfs/dbraw/zinc/32/69/42/540326942.db2.gz VEFVDLSXDUAWFS-HNAYVOBHSA-N 1 2 373.457 2.160 20 30 FEEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000048426035 540361994 /nfs/dbraw/zinc/36/19/94/540361994.db2.gz ZLUURVMZRNAXNY-CQSZACIVSA-N 1 2 369.387 2.077 20 30 FEEDLO C=CCNC(=O)C[NH+]1CCN(Cc2csc(Cc3ccccc3)n2)CC1 ZINC000051148194 540424111 /nfs/dbraw/zinc/42/41/11/540424111.db2.gz GNFXKORUVHOULY-UHFFFAOYSA-N 1 2 370.522 2.154 20 30 FEEDLO C=CC[N@@H+](CC(=O)N[C@H](C(=O)NC)c1ccccc1)Cc1cccs1 ZINC000051824590 540445911 /nfs/dbraw/zinc/44/59/11/540445911.db2.gz BNDPGAUTNWHQNX-SFHVURJKSA-N 1 2 357.479 2.340 20 30 FEEDLO C=CC[N@H+](CC(=O)N[C@H](C(=O)NC)c1ccccc1)Cc1cccs1 ZINC000051824590 540445914 /nfs/dbraw/zinc/44/59/14/540445914.db2.gz BNDPGAUTNWHQNX-SFHVURJKSA-N 1 2 357.479 2.340 20 30 FEEDLO C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000052442373 540466600 /nfs/dbraw/zinc/46/66/00/540466600.db2.gz ITGBPIFTHMGORC-IXDOHACOSA-N 1 2 355.486 2.253 20 30 FEEDLO C[C@H]1CN(c2ccc(CNC(=O)N3CCC(C#N)CC3)c[nH+]2)C[C@H](C)O1 ZINC000057993185 540826599 /nfs/dbraw/zinc/82/65/99/540826599.db2.gz XNFJNWRPFLRFAW-GJZGRUSLSA-N 1 2 357.458 2.140 20 30 FEEDLO C=CCNC(=O)CN1CC[NH+](Cc2ccccc2Oc2cccnc2)CC1 ZINC000063517721 541172256 /nfs/dbraw/zinc/17/22/56/541172256.db2.gz JTGFEFDTRNXANG-UHFFFAOYSA-N 1 2 366.465 2.294 20 30 FEEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000064634260 541213643 /nfs/dbraw/zinc/21/36/43/541213643.db2.gz XSBXFTDWKJPDPM-MRXNPFEDSA-N 1 2 374.448 2.364 20 30 FEEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000064634260 541213648 /nfs/dbraw/zinc/21/36/48/541213648.db2.gz XSBXFTDWKJPDPM-MRXNPFEDSA-N 1 2 374.448 2.364 20 30 FEEDLO C[C@H]1CCCC[C@H]1NC(=O)C[N@@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000066437812 541318121 /nfs/dbraw/zinc/31/81/21/541318121.db2.gz AQAPMWDSESDEKN-FUHWJXTLSA-N 1 2 355.486 2.160 20 30 FEEDLO C[C@H]1CCCC[C@H]1NC(=O)C[N@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000066437812 541318124 /nfs/dbraw/zinc/31/81/24/541318124.db2.gz AQAPMWDSESDEKN-FUHWJXTLSA-N 1 2 355.486 2.160 20 30 FEEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@H]2C(=O)N(C)C)c1C ZINC000051591537 205183597 /nfs/dbraw/zinc/18/35/97/205183597.db2.gz XWHMUYUJQHGDBO-SFHVURJKSA-N 1 2 356.470 2.103 20 30 FEEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H]2C(=O)N(C)C)c1C ZINC000051591537 205183600 /nfs/dbraw/zinc/18/36/00/205183600.db2.gz XWHMUYUJQHGDBO-SFHVURJKSA-N 1 2 356.470 2.103 20 30 FEEDLO N#Cc1cccc(NC(=O)C(=O)NCCNc2ccc3ccccc3[nH+]2)c1 ZINC000077821328 542424265 /nfs/dbraw/zinc/42/42/65/542424265.db2.gz VLRZGSJJWVRSFC-UHFFFAOYSA-N 1 2 359.389 2.273 20 30 FEEDLO Cc1cc2oc(=O)cc(CN(CCC#N)CC[NH+]3CCOCC3)c2cc1C ZINC000078687136 542476657 /nfs/dbraw/zinc/47/66/57/542476657.db2.gz LDNZVOFZIIZQEH-UHFFFAOYSA-N 1 2 369.465 2.458 20 30 FEEDLO N#CCCN(CCCc1nc(-c2ccccc2)no1)CC[NH+]1CCOCC1 ZINC000078719846 542477618 /nfs/dbraw/zinc/47/76/18/542477618.db2.gz OFYKAVVOZPTLHG-UHFFFAOYSA-N 1 2 369.469 2.217 20 30 FEEDLO N#CCC[N@H+](CCCc1nc(-c2ccccc2)no1)CCN1CCOCC1 ZINC000078719846 542477623 /nfs/dbraw/zinc/47/76/23/542477623.db2.gz OFYKAVVOZPTLHG-UHFFFAOYSA-N 1 2 369.469 2.217 20 30 FEEDLO N#CCC[N@@H+](CCCc1nc(-c2ccccc2)no1)CCN1CCOCC1 ZINC000078719846 542477626 /nfs/dbraw/zinc/47/76/26/542477626.db2.gz OFYKAVVOZPTLHG-UHFFFAOYSA-N 1 2 369.469 2.217 20 30 FEEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCC(c2nc[nH]n2)CC1 ZINC000083446216 542698286 /nfs/dbraw/zinc/69/82/86/542698286.db2.gz JVSBXCACYHYXKA-HVEKOLDVSA-N 1 2 358.490 2.303 20 30 FEEDLO CS(=O)(=O)CC[NH+]1CCC(Nc2ccc3cc(C#N)ccc3n2)CC1 ZINC000092897113 542894641 /nfs/dbraw/zinc/89/46/41/542894641.db2.gz JSEXMOCPFATDOI-UHFFFAOYSA-N 1 2 358.467 2.027 20 30 FEEDLO C[C@H]1CCC[C@@H](NC(=O)CN2CC[NH+](Cc3cc(C#N)cs3)CC2)C1 ZINC000093053561 542905983 /nfs/dbraw/zinc/90/59/83/542905983.db2.gz NVPNBEZLDPJPRM-DOTOQJQBSA-N 1 2 360.527 2.432 20 30 FEEDLO N#C[C@]1(NC(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)CCSC1 ZINC000098150473 543023620 /nfs/dbraw/zinc/02/36/20/543023620.db2.gz ASVXWWIEKISZET-GOSISDBHSA-N 1 2 369.450 2.041 20 30 FEEDLO C#CCC[NH+]1CCN(C(=O)c2cnc(-c3ccc4c(c3)OCO4)s2)CC1 ZINC000103079203 543091061 /nfs/dbraw/zinc/09/10/61/543091061.db2.gz GVSSXNYMNOFVHS-UHFFFAOYSA-N 1 2 369.446 2.320 20 30 FEEDLO CC(=O)[C@H](NC(=O)C[NH+]1CCC(Oc2cccc(C#N)c2)CC1)C(C)C ZINC000104713622 543138397 /nfs/dbraw/zinc/13/83/97/543138397.db2.gz ICLTVOUPBISJCI-HXUWFJFHSA-N 1 2 357.454 2.131 20 30 FEEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH+]1CCC(C(N)=O)CC1 ZINC000108355862 543287592 /nfs/dbraw/zinc/28/75/92/543287592.db2.gz UJRWUNLJSIIGRB-CYBMUJFWSA-N 1 2 360.483 2.074 20 30 FEEDLO CN(C(=O)C[N@H+](C)[C@H]1CCN(c2ccccc2)C1=O)C1(C#N)CCCCC1 ZINC000109814550 543339770 /nfs/dbraw/zinc/33/97/70/543339770.db2.gz GNWYFQAACBBCEC-SFHVURJKSA-N 1 2 368.481 2.409 20 30 FEEDLO CN(C(=O)C[N@@H+](C)[C@H]1CCN(c2ccccc2)C1=O)C1(C#N)CCCCC1 ZINC000109814550 543339773 /nfs/dbraw/zinc/33/97/73/543339773.db2.gz GNWYFQAACBBCEC-SFHVURJKSA-N 1 2 368.481 2.409 20 30 FEEDLO CC(C)c1[nH+]c2c(n1C)CCN(S(=O)(=O)Cc1cccc(C#N)c1)C2 ZINC000113299625 543483192 /nfs/dbraw/zinc/48/31/92/543483192.db2.gz ZDGRHVAYGJWXAK-UHFFFAOYSA-N 1 2 358.467 2.303 20 30 FEEDLO C[N@H+](Cc1ccccc1N1CCOCC1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115532854 543571498 /nfs/dbraw/zinc/57/14/98/543571498.db2.gz PFRLJGKUPNYLJJ-HXUWFJFHSA-N 1 2 364.449 2.053 20 30 FEEDLO C[N@@H+](Cc1ccccc1N1CCOCC1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115532854 543571500 /nfs/dbraw/zinc/57/15/00/543571500.db2.gz PFRLJGKUPNYLJJ-HXUWFJFHSA-N 1 2 364.449 2.053 20 30 FEEDLO COc1cc(C#N)ccc1OCC(=O)NCc1cn2cc(C)ccc2[nH+]1 ZINC000117693623 543637255 /nfs/dbraw/zinc/63/72/55/543637255.db2.gz QOJVRMUFEIJVGT-UHFFFAOYSA-N 1 2 350.378 2.218 20 30 FEEDLO CN(C(=O)C[NH+]1CCN(c2cccc(O)c2)CC1)C1(C#N)CCCCC1 ZINC000121080313 543688805 /nfs/dbraw/zinc/68/88/05/543688805.db2.gz ITVDVIBNCPOCAX-UHFFFAOYSA-N 1 2 356.470 2.199 20 30 FEEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCCN(C(=O)C2CC2)CC1 ZINC000121214411 543690507 /nfs/dbraw/zinc/69/05/07/543690507.db2.gz ZHAJKCAYIIAXJM-BATSVXPKSA-N 1 2 374.529 2.250 20 30 FEEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCCN(C(=O)C2CC2)CC1 ZINC000121214411 543690510 /nfs/dbraw/zinc/69/05/10/543690510.db2.gz ZHAJKCAYIIAXJM-BATSVXPKSA-N 1 2 374.529 2.250 20 30 FEEDLO CCNC(=O)N1CC[NH+](Cc2ccc(OC)c(OCCCC#N)c2)CC1 ZINC000121604052 543696870 /nfs/dbraw/zinc/69/68/70/543696870.db2.gz LTRCUPTUUFURQB-UHFFFAOYSA-N 1 2 360.458 2.225 20 30 FEEDLO C=CCNC(=O)CN1CC[NH+](Cc2ccc(-c3ccncc3)cc2F)CC1 ZINC000122211353 543704343 /nfs/dbraw/zinc/70/43/43/543704343.db2.gz ADOZFXLGEGYTRD-UHFFFAOYSA-N 1 2 368.456 2.308 20 30 FEEDLO COCCN(c1cc[nH+]cc1)S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000126622475 543947543 /nfs/dbraw/zinc/94/75/43/543947543.db2.gz WBYGOFIOZHFFCL-UHFFFAOYSA-N 1 2 351.815 2.448 20 30 FEEDLO C=C[C@H](CC(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1)c1ccccc1 ZINC000126849730 543959822 /nfs/dbraw/zinc/95/98/22/543959822.db2.gz ZMLCDLNFILPPBP-DLBZAZTESA-N 1 2 355.482 2.158 20 30 FEEDLO N#Cc1cccc(OCCCCC(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)c1 ZINC000127292872 543983648 /nfs/dbraw/zinc/98/36/48/543983648.db2.gz WRTRKECFQKKFTQ-IBGZPJMESA-N 1 2 357.454 2.087 20 30 FEEDLO N#Cc1cccc(OCCCCC(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)c1 ZINC000127292872 543983651 /nfs/dbraw/zinc/98/36/51/543983651.db2.gz WRTRKECFQKKFTQ-IBGZPJMESA-N 1 2 357.454 2.087 20 30 FEEDLO C=CCOc1cc(OC)ccc1C(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000128626633 544063120 /nfs/dbraw/zinc/06/31/20/544063120.db2.gz LMGFITZMLLUWQS-UHFFFAOYSA-N 1 2 362.470 2.443 20 30 FEEDLO N#Cc1ccc(OCCNC(=O)N[C@H]2CCCN(c3cccc[nH+]3)C2)cc1 ZINC000128621716 544063246 /nfs/dbraw/zinc/06/32/46/544063246.db2.gz APWSBFPMBSDSCS-KRWDZBQOSA-N 1 2 365.437 2.300 20 30 FEEDLO Cc1nnc([C@@H]2Cc3ccccc3C[N@H+]2CCC(=O)N(C)CCC#N)o1 ZINC000131205939 544180758 /nfs/dbraw/zinc/18/07/58/544180758.db2.gz PEWFKCRXFGDSIL-KRWDZBQOSA-N 1 2 353.426 2.240 20 30 FEEDLO Cc1nnc([C@@H]2Cc3ccccc3C[N@@H+]2CCC(=O)N(C)CCC#N)o1 ZINC000131205939 544180761 /nfs/dbraw/zinc/18/07/61/544180761.db2.gz PEWFKCRXFGDSIL-KRWDZBQOSA-N 1 2 353.426 2.240 20 30 FEEDLO N#Cc1ccccc1OCC[NH+]1CCN(C(=O)c2ccc(O)cc2)CC1 ZINC000130991581 544173220 /nfs/dbraw/zinc/17/32/20/544173220.db2.gz DQTYSXJTEVBXPJ-UHFFFAOYSA-N 1 2 351.406 2.101 20 30 FEEDLO C=CCC[C@@H](NC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)c1ccccc1 ZINC000131037815 544174701 /nfs/dbraw/zinc/17/47/01/544174701.db2.gz KMYJSYIRMUFHIZ-RTBURBONSA-N 1 2 361.486 2.028 20 30 FEEDLO CC(=O)NC(C)(C)C(N)=[NH+]OCCOc1ccccc1Br ZINC000133688458 544280008 /nfs/dbraw/zinc/28/00/08/544280008.db2.gz JITKHOGUAZNFPF-UHFFFAOYSA-N 1 2 358.236 2.031 20 30 FEEDLO COc1cc(-c2noc(C[NH+]3CCC(C#N)CC3)n2)cc(OC)c1OC ZINC000135161116 544336483 /nfs/dbraw/zinc/33/64/83/544336483.db2.gz BJWRXACKXSDPBH-UHFFFAOYSA-N 1 2 358.398 2.498 20 30 FEEDLO COc1ccc(C[N@@H+](CC(=O)N2CCCC2)C[C@@H]2CCCO2)cc1C#N ZINC000135109717 544334758 /nfs/dbraw/zinc/33/47/58/544334758.db2.gz KXQJKWNVAFPHRS-SFHVURJKSA-N 1 2 357.454 2.170 20 30 FEEDLO COc1ccc(C[N@H+](CC(=O)N2CCCC2)C[C@@H]2CCCO2)cc1C#N ZINC000135109717 544334760 /nfs/dbraw/zinc/33/47/60/544334760.db2.gz KXQJKWNVAFPHRS-SFHVURJKSA-N 1 2 357.454 2.170 20 30 FEEDLO C[C@H](C#N)CN(C)C(=O)c1ccc(S(=O)(=O)Nc2cc[nH+]cc2)cc1 ZINC000148121641 544448406 /nfs/dbraw/zinc/44/84/06/544448406.db2.gz JLLXDTLTCVICOK-CYBMUJFWSA-N 1 2 358.423 2.114 20 30 FEEDLO C#CCOc1ccc(C(=O)NCc2ccc(N3CCO[C@@H](C)C3)[nH+]c2)cc1 ZINC000151138885 544508471 /nfs/dbraw/zinc/50/84/71/544508471.db2.gz ZDKVUANWTZJPOD-INIZCTEOSA-N 1 2 365.433 2.249 20 30 FEEDLO N#CCCN(C(=O)[C@@H]1CCn2c[nH+]cc2C1)c1ccc2c(c1)OCCO2 ZINC000152138730 544616872 /nfs/dbraw/zinc/61/68/72/544616872.db2.gz BIUJYTLZNZAWLL-CQSZACIVSA-N 1 2 352.394 2.164 20 30 FEEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CCC[C@@H](c3nncn3C3CC3)C2)c1 ZINC000152417753 544650233 /nfs/dbraw/zinc/65/02/33/544650233.db2.gz ODXFQEWLRRBULI-OAHLLOKOSA-N 1 2 350.426 2.303 20 30 FEEDLO N#Cc1cccc(NC(=O)C[N@H+]2CCC[C@@H](c3nncn3C3CC3)C2)c1 ZINC000152417753 544650236 /nfs/dbraw/zinc/65/02/36/544650236.db2.gz ODXFQEWLRRBULI-OAHLLOKOSA-N 1 2 350.426 2.303 20 30 FEEDLO C=C(C)COCCNC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000152726123 544687694 /nfs/dbraw/zinc/68/76/94/544687694.db2.gz VRMMQSHOYZNHKD-UHFFFAOYSA-N 1 2 356.426 2.234 20 30 FEEDLO COc1cc2c(c(CN(CCC#N)CC[NH+]3CCOCC3)c1)O[C@@H](C)C2 ZINC000154814085 544952397 /nfs/dbraw/zinc/95/23/97/544952397.db2.gz ZHHJQUPVTLZITP-INIZCTEOSA-N 1 2 359.470 2.066 20 30 FEEDLO N#Cc1ccccc1Oc1ccccc1C(=O)N1CC[NH+](CCO)CC1 ZINC000181330325 327725234 /nfs/dbraw/zinc/72/52/34/327725234.db2.gz JGYGKRQIVISHKT-UHFFFAOYSA-N 1 2 351.406 2.101 20 30 FEEDLO Cc1cccc(NC(=O)CN2CC[NH+](Cc3cc(C#N)n(C)c3)CC2)c1C ZINC000191185931 328253120 /nfs/dbraw/zinc/25/31/20/328253120.db2.gz UMOMLDOZWYXKGM-UHFFFAOYSA-N 1 2 365.481 2.270 20 30 FEEDLO Cn1cc(C[NH+]2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cc1C#N ZINC000191240305 328255697 /nfs/dbraw/zinc/25/56/97/328255697.db2.gz BWKYHKWNYMQUQU-UHFFFAOYSA-N 1 2 362.393 2.339 20 30 FEEDLO CCO[C@@H](C)c1noc(CN2CC[NH+](Cc3ccc(C#N)c(F)c3)CC2)n1 ZINC000192044756 328296398 /nfs/dbraw/zinc/29/63/98/328296398.db2.gz NMTYLMSDRHGXRW-AWEZNQCLSA-N 1 2 373.432 2.496 20 30 FEEDLO Cn1cnnc1[C@@H]1CCC[N@@H+]1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192716711 328335036 /nfs/dbraw/zinc/33/50/36/328335036.db2.gz VOZDQZBKKNGPBN-DLBZAZTESA-N 1 2 350.426 2.019 20 30 FEEDLO Cn1cnnc1[C@@H]1CCC[N@H+]1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192716711 328335037 /nfs/dbraw/zinc/33/50/37/328335037.db2.gz VOZDQZBKKNGPBN-DLBZAZTESA-N 1 2 350.426 2.019 20 30 FEEDLO COC(=O)[C@H](C)[N@H+](C1CCC1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192811529 328340905 /nfs/dbraw/zinc/34/09/05/328340905.db2.gz IUIZMCSSUYDEQX-KBXCAEBGSA-N 1 2 355.438 2.470 20 30 FEEDLO COC(=O)[C@H](C)[N@@H+](C1CCC1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192811529 328340906 /nfs/dbraw/zinc/34/09/06/328340906.db2.gz IUIZMCSSUYDEQX-KBXCAEBGSA-N 1 2 355.438 2.470 20 30 FEEDLO COc1cccc2c1CC[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)CC2 ZINC000193714166 328391141 /nfs/dbraw/zinc/39/11/41/328391141.db2.gz ITVMVWZGBPOEQS-UHFFFAOYSA-N 1 2 370.474 2.441 20 30 FEEDLO COc1cccc2c1CC[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)CC2 ZINC000193714166 328391142 /nfs/dbraw/zinc/39/11/42/328391142.db2.gz ITVMVWZGBPOEQS-UHFFFAOYSA-N 1 2 370.474 2.441 20 30 FEEDLO N#Cc1ccc(NC(=O)CC[NH+]2CCN(C(=O)c3cccs3)CC2)cc1 ZINC000024674213 324411539 /nfs/dbraw/zinc/41/15/39/324411539.db2.gz ZLZSSZXLARYBBW-UHFFFAOYSA-N 1 2 368.462 2.406 20 30 FEEDLO N#Cc1ccc(CNC(=O)NC[C@@H](c2cccs2)[NH+]2CCOCC2)cc1 ZINC000047740693 324643535 /nfs/dbraw/zinc/64/35/35/324643535.db2.gz CTVXQXPMXWUTJA-KRWDZBQOSA-N 1 2 370.478 2.492 20 30 FEEDLO Cn1cc[nH+]c1-c1cccc(NC(=O)NCCCc2[nH]nc(N)c2C#N)c1 ZINC000077445431 324991462 /nfs/dbraw/zinc/99/14/62/324991462.db2.gz HDXBOIBHWMGHCP-UHFFFAOYSA-N 1 2 364.413 2.018 20 30 FEEDLO CN(CC[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1)c1ccccc1 ZINC000081513288 325179497 /nfs/dbraw/zinc/17/94/97/325179497.db2.gz DOYOWMJTSWAMNK-UHFFFAOYSA-N 1 2 357.479 2.400 20 30 FEEDLO CN(CC[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1)c1ccccc1 ZINC000081513288 325179499 /nfs/dbraw/zinc/17/94/99/325179499.db2.gz DOYOWMJTSWAMNK-UHFFFAOYSA-N 1 2 357.479 2.400 20 30 FEEDLO Cn1ncc2c1nc[nH+]c2S[C@H]1CCN(c2sccc2C#N)C1=O ZINC000083091798 325213719 /nfs/dbraw/zinc/21/37/19/325213719.db2.gz DYPJRTQGISWLEF-NSHDSACASA-N 1 2 356.436 2.194 20 30 FEEDLO CC(C)C(=O)NC[C@H]1CCC[N@@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000083170225 325214315 /nfs/dbraw/zinc/21/43/15/325214315.db2.gz WAAUJLUITPZVBJ-GDBMZVCRSA-N 1 2 374.510 2.209 20 30 FEEDLO CC(C)C(=O)NC[C@H]1CCC[N@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000083170225 325214319 /nfs/dbraw/zinc/21/43/19/325214319.db2.gz WAAUJLUITPZVBJ-GDBMZVCRSA-N 1 2 374.510 2.209 20 30 FEEDLO N#Cc1csc(C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)c1 ZINC000084074174 325228095 /nfs/dbraw/zinc/22/80/95/325228095.db2.gz LWDXOWFGDVCCCP-UHFFFAOYSA-N 1 2 368.462 2.453 20 30 FEEDLO C[C@H](NC(=O)Nc1cc(C#N)ccc1OC(F)F)[C@H](C)[NH+]1CCOCC1 ZINC000105036508 325554527 /nfs/dbraw/zinc/55/45/27/325554527.db2.gz MFEWXTJFNSLGSU-RYUDHWBXSA-N 1 2 368.384 2.390 20 30 FEEDLO N#Cc1ccc([C@@H](C(N)=O)[NH+]2CCC(Oc3cccc(C#N)c3)CC2)cc1 ZINC000115542181 325964221 /nfs/dbraw/zinc/96/42/21/325964221.db2.gz YDMRXUZIGWCYLS-FQEVSTJZSA-N 1 2 360.417 2.500 20 30 FEEDLO Cc1cc(C)c(NC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)c(C)[nH+]1 ZINC000121122199 326314983 /nfs/dbraw/zinc/31/49/83/326314983.db2.gz FCFDASGFXJTGCL-UHFFFAOYSA-N 1 2 372.450 2.138 20 30 FEEDLO CSc1[nH]c(=O)c(C(=O)N(CC[NH+](C)C)Cc2ccc(C)o2)cc1C#N ZINC000150763903 326667281 /nfs/dbraw/zinc/66/72/81/326667281.db2.gz HRXBSORITPZATN-UHFFFAOYSA-N 1 2 374.466 2.074 20 30 FEEDLO N#Cc1cccc(OC2CCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)CC2)c1 ZINC000152221004 326701982 /nfs/dbraw/zinc/70/19/82/326701982.db2.gz QTRNRDJNAAPDSN-MRXNPFEDSA-N 1 2 350.422 2.387 20 30 FEEDLO COc1ccccc1C[NH+]1CCN(CC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000170817478 327100392 /nfs/dbraw/zinc/10/03/92/327100392.db2.gz FGXHITVZUUQTNJ-UHFFFAOYSA-N 1 2 364.449 2.323 20 30 FEEDLO Cc1cccc(NC(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)c1C#N ZINC000174780765 327350466 /nfs/dbraw/zinc/35/04/66/327350466.db2.gz STCKLQBSGUIJFI-UHFFFAOYSA-N 1 2 368.462 2.041 20 30 FEEDLO Cc1cccc(NC(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)c1C#N ZINC000174780765 327350468 /nfs/dbraw/zinc/35/04/68/327350468.db2.gz STCKLQBSGUIJFI-UHFFFAOYSA-N 1 2 368.462 2.041 20 30 FEEDLO N#Cc1ccc([C@H](O)C[NH+]2CCN(C(=O)c3cccc(F)c3)CC2)cc1 ZINC000177993806 327557516 /nfs/dbraw/zinc/55/75/16/327557516.db2.gz JYFLNCJCRVHQDZ-LJQANCHMSA-N 1 2 353.397 2.189 20 30 FEEDLO Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178068631 327563052 /nfs/dbraw/zinc/56/30/52/327563052.db2.gz BDFKGQXTSTZESN-UHFFFAOYSA-N 1 2 373.420 2.115 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCc3cccc(CO)c3)CC2)cc1 ZINC000264454466 329025030 /nfs/dbraw/zinc/02/50/30/329025030.db2.gz WGMQGQNUZKJDHG-UHFFFAOYSA-N 1 2 364.449 2.078 20 30 FEEDLO C[C@@H](c1nc(-c2cccnc2)no1)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000264958847 329078624 /nfs/dbraw/zinc/07/86/24/329078624.db2.gz YUNZVJMMZORTEF-AWEZNQCLSA-N 1 2 361.409 2.281 20 30 FEEDLO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000265603430 329142204 /nfs/dbraw/zinc/14/22/04/329142204.db2.gz JXPRNMTZMGZIPJ-FLXNLOQFSA-N 1 2 365.524 2.278 20 30 FEEDLO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000265603430 329142206 /nfs/dbraw/zinc/14/22/06/329142206.db2.gz JXPRNMTZMGZIPJ-FLXNLOQFSA-N 1 2 365.524 2.278 20 30 FEEDLO CO[C@H](C)c1noc(CN2CCC[N@H+](Cc3ccc(C#N)cc3F)CC2)n1 ZINC000267331296 329315557 /nfs/dbraw/zinc/31/55/57/329315557.db2.gz AFFVCVZTDDZSDL-CQSZACIVSA-N 1 2 373.432 2.496 20 30 FEEDLO CO[C@H](C)c1noc(CN2CCC[N@@H+](Cc3ccc(C#N)cc3F)CC2)n1 ZINC000267331296 329315558 /nfs/dbraw/zinc/31/55/58/329315558.db2.gz AFFVCVZTDDZSDL-CQSZACIVSA-N 1 2 373.432 2.496 20 30 FEEDLO CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000267353210 329317889 /nfs/dbraw/zinc/31/78/89/329317889.db2.gz KDABHBCEYXIIGW-UHFFFAOYSA-N 1 2 367.409 2.025 20 30 FEEDLO C#C[C@@H](NC(=O)N[C@@H](C)C[NH+]1CCOCC1)c1ccc(Cl)cc1F ZINC000804915597 674306383 /nfs/dbraw/zinc/30/63/83/674306383.db2.gz AVUPEVVUEUVBAC-BLLLJJGKSA-N 1 2 353.825 2.173 20 30 FEEDLO CCCCN(CCCC)C(=O)C[N@@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000155565403 545543618 /nfs/dbraw/zinc/54/36/18/545543618.db2.gz UNLWFFUVHCAEMT-KRWDZBQOSA-N 1 2 372.517 2.288 20 30 FEEDLO CCCCN(CCCC)C(=O)C[N@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000155565403 545543619 /nfs/dbraw/zinc/54/36/19/545543619.db2.gz UNLWFFUVHCAEMT-KRWDZBQOSA-N 1 2 372.517 2.288 20 30 FEEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cn2ccccc2c1C#N ZINC000155706047 545559962 /nfs/dbraw/zinc/55/99/62/545559962.db2.gz HCLHAVLKQFHDLT-OAHLLOKOSA-N 1 2 357.421 2.183 20 30 FEEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cn2ccccc2c1C#N ZINC000155706047 545559966 /nfs/dbraw/zinc/55/99/66/545559966.db2.gz HCLHAVLKQFHDLT-OAHLLOKOSA-N 1 2 357.421 2.183 20 30 FEEDLO N#Cc1ccc(OC[C@H](O)C[NH+]2CCN(c3ncccc3Cl)CC2)cc1 ZINC000155930439 545584360 /nfs/dbraw/zinc/58/43/60/545584360.db2.gz MLTCDIIKOLLFPD-MRXNPFEDSA-N 1 2 372.856 2.169 20 30 FEEDLO CC[C@H]1C(=O)NCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000156524506 545633258 /nfs/dbraw/zinc/63/32/58/545633258.db2.gz PKTJAPMVHJSDEB-HNNXBMFYSA-N 1 2 374.510 2.428 20 30 FEEDLO CC[C@H]1C(=O)NCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000156524506 545633260 /nfs/dbraw/zinc/63/32/60/545633260.db2.gz PKTJAPMVHJSDEB-HNNXBMFYSA-N 1 2 374.510 2.428 20 30 FEEDLO C[C@@H](O[NH+]=C(N)c1ccc2c(c1)CCO2)C(=O)NCCc1cccs1 ZINC000158228822 545837535 /nfs/dbraw/zinc/83/75/35/545837535.db2.gz UGEMUIJNROMCMM-GFCCVEGCSA-N 1 2 359.451 2.067 20 30 FEEDLO N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CC[NH+](CC2CC2)CC1 ZINC000158789675 545896070 /nfs/dbraw/zinc/89/60/70/545896070.db2.gz RBUYWMPBMALJNZ-UHFFFAOYSA-N 1 2 373.400 2.293 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)CCc1cc2ccccc2o1 ZINC000478218347 561162329 /nfs/dbraw/zinc/16/23/29/561162329.db2.gz AKHYOFXCVYZEIS-UHFFFAOYSA-N 1 2 355.438 2.440 20 30 FEEDLO N#Cc1ccc(N2CC[NH+](Cc3ccc(Br)cc3)CC2)nn1 ZINC000160648993 546059111 /nfs/dbraw/zinc/05/91/11/546059111.db2.gz XBRYFSNFQRTJKK-UHFFFAOYSA-N 1 2 358.243 2.433 20 30 FEEDLO N#CC1(CS(=O)(=O)N2CCc3c([nH+]cn3CCc3ccccc3)C2)CC1 ZINC000166283973 546156560 /nfs/dbraw/zinc/15/65/60/546156560.db2.gz SZGGUFUZTKIGKM-UHFFFAOYSA-N 1 2 370.478 2.117 20 30 FEEDLO C=CC[N@@H+](CCCS(N)(=O)=O)Cc1cc(Br)ccc1F ZINC000170914366 546182810 /nfs/dbraw/zinc/18/28/10/546182810.db2.gz NDIJBXYFHBAALH-UHFFFAOYSA-N 1 2 365.268 2.255 20 30 FEEDLO C=CC[N@H+](CCCS(N)(=O)=O)Cc1cc(Br)ccc1F ZINC000170914366 546182813 /nfs/dbraw/zinc/18/28/13/546182813.db2.gz NDIJBXYFHBAALH-UHFFFAOYSA-N 1 2 365.268 2.255 20 30 FEEDLO N#CCOc1ccc(CNc2cc(N3CCC[C@@H](CO)C3)nc[nH+]2)cc1 ZINC000171920443 546230385 /nfs/dbraw/zinc/23/03/85/546230385.db2.gz VXCVKJALXPLWMY-MRXNPFEDSA-N 1 2 353.426 2.200 20 30 FEEDLO N#CCOc1ccc(CNc2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)cc1 ZINC000171920443 546230391 /nfs/dbraw/zinc/23/03/91/546230391.db2.gz VXCVKJALXPLWMY-MRXNPFEDSA-N 1 2 353.426 2.200 20 30 FEEDLO COc1ccc(C[NH+]2CCN(C(=O)CN(CC#N)C3CCCC3)CC2)cc1 ZINC000172570572 546258714 /nfs/dbraw/zinc/25/87/14/546258714.db2.gz XEWBGEXOKIKVAH-UHFFFAOYSA-N 1 2 370.497 2.108 20 30 FEEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](CCn2cnc3ccccc3c2=O)CC1 ZINC000174576573 546298964 /nfs/dbraw/zinc/29/89/64/546298964.db2.gz UODDIURNYQLWQA-NRFANRHFSA-N 1 2 373.460 2.279 20 30 FEEDLO N#CCC[N@@H+](CC(=O)NC1CCN(C(=O)C2CCCCC2)CC1)CC1CC1 ZINC000174690618 546302302 /nfs/dbraw/zinc/30/23/02/546302302.db2.gz JYQKKHBTXNJPHO-UHFFFAOYSA-N 1 2 374.529 2.300 20 30 FEEDLO N#CCC[N@H+](CC(=O)NC1CCN(C(=O)C2CCCCC2)CC1)CC1CC1 ZINC000174690618 546302305 /nfs/dbraw/zinc/30/23/05/546302305.db2.gz JYQKKHBTXNJPHO-UHFFFAOYSA-N 1 2 374.529 2.300 20 30 FEEDLO CC(C)(C#N)CCC[NH+]1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000174809516 546303695 /nfs/dbraw/zinc/30/36/95/546303695.db2.gz GVSAPYUUODCBCO-UHFFFAOYSA-N 1 2 360.483 2.195 20 30 FEEDLO CCC[C@H](C)NC(=O)[C@H](C)O[NH+]=C(N)c1ccc(N2CCCCC2)nc1 ZINC000177479213 546628100 /nfs/dbraw/zinc/62/81/00/546628100.db2.gz RVTZRMMSFKVTNM-GJZGRUSLSA-N 1 2 361.490 2.402 20 30 FEEDLO N#Cc1ccc([C@H](O)C[NH+]2CCN(C(=O)NC3CCCCC3)CC2)cc1 ZINC000177703626 546670215 /nfs/dbraw/zinc/67/02/15/546670215.db2.gz DZOZENPVGCZTOU-LJQANCHMSA-N 1 2 356.470 2.252 20 30 FEEDLO N#Cc1ccccc1N1CCN(C(=O)NCc2ccn3cc[nH+]c3c2)CC1 ZINC000177765277 546681881 /nfs/dbraw/zinc/68/18/81/546681881.db2.gz KUHCSCLOWKOVJS-UHFFFAOYSA-N 1 2 360.421 2.238 20 30 FEEDLO N#Cc1ccc([C@@H](C(N)=O)N2CCc3c([nH+]cn3-c3ccccc3)C2)cc1 ZINC000481268029 561229225 /nfs/dbraw/zinc/22/92/25/561229225.db2.gz IZAAHAXQQUFIDP-FQEVSTJZSA-N 1 2 357.417 2.329 20 30 FEEDLO N#Cc1ccc([C@H](C(N)=O)[NH+]2CCC(O)(Cc3ccc(F)cc3)CC2)cc1 ZINC000481602491 561237150 /nfs/dbraw/zinc/23/71/50/561237150.db2.gz VZFGVEZTSKGBMR-LJQANCHMSA-N 1 2 367.424 2.293 20 30 FEEDLO C=CCOC[C@@H]([NH2+][C@@H]1CCc2[nH]c3ccc(OC)cc3c2C1)C(=O)OC ZINC000482452115 561254156 /nfs/dbraw/zinc/25/41/56/561254156.db2.gz JZUZIGPEVPPIAT-BFUOFWGJSA-N 1 2 358.438 2.368 20 30 FEEDLO C=CCCC[C@H](C)NC(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000181381163 547303810 /nfs/dbraw/zinc/30/38/10/547303810.db2.gz ZRWYWZLEKNHVOF-IRXDYDNUSA-N 1 2 350.507 2.069 20 30 FEEDLO Cc1ccc(C(=O)N2CCN(Cc3c[nH+]c4ccc(C#N)cn34)CC2)cc1 ZINC000181413372 547311025 /nfs/dbraw/zinc/31/10/25/547311025.db2.gz KDLRGYNWRPQWJR-UHFFFAOYSA-N 1 2 359.433 2.472 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1ccc(F)c(Cl)c1F ZINC000181928451 547407666 /nfs/dbraw/zinc/40/76/66/547407666.db2.gz IRMZDOWKYAERFC-UHFFFAOYSA-N 1 2 357.788 2.306 20 30 FEEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCOCC3(CCOCC3)C2)cc1Cl ZINC000184097563 547769703 /nfs/dbraw/zinc/76/97/03/547769703.db2.gz OPPBNPKOBFPDQU-UHFFFAOYSA-N 1 2 363.845 2.279 20 30 FEEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCOCC3(CCOCC3)C2)cc1Cl ZINC000184097563 547769706 /nfs/dbraw/zinc/76/97/06/547769706.db2.gz OPPBNPKOBFPDQU-UHFFFAOYSA-N 1 2 363.845 2.279 20 30 FEEDLO CC1(C)C[C@@]1(C#N)NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000484901429 561308179 /nfs/dbraw/zinc/30/81/79/561308179.db2.gz SJABMOHRRSCNRF-IBGZPJMESA-N 1 2 351.410 2.334 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000184600912 547852351 /nfs/dbraw/zinc/85/23/51/547852351.db2.gz USQQUNPKQDIHAT-MOPGFXCFSA-N 1 2 357.433 2.293 20 30 FEEDLO Cn1cc(-c2cc(C[NH+]3CCN([C@@H](C#N)c4ccccc4)CC3)on2)cn1 ZINC000185034739 547920088 /nfs/dbraw/zinc/92/00/88/547920088.db2.gz VNFADKWPGKFTGF-FQEVSTJZSA-N 1 2 362.437 2.458 20 30 FEEDLO C[C@H]([NH2+]CC(=O)N[C@](C)(C#N)C1CC1)c1nc(-c2cccc(F)c2)no1 ZINC000185079095 547929058 /nfs/dbraw/zinc/92/90/58/547929058.db2.gz CDOOZXWBHJHDKL-BBATYDOGSA-N 1 2 357.389 2.335 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCO[C@]3(CCOC3)C2)c1 ZINC000185194312 547949611 /nfs/dbraw/zinc/94/96/11/547949611.db2.gz YYWYUXAUVYONJW-GHTZIAJQSA-N 1 2 371.481 2.430 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CCO[C@]3(CCOC3)C2)c1 ZINC000185194312 547949612 /nfs/dbraw/zinc/94/96/12/547949612.db2.gz YYWYUXAUVYONJW-GHTZIAJQSA-N 1 2 371.481 2.430 20 30 FEEDLO C[C@H](C(=O)N(CCC#N)CC[NH+]1CCOCC1)c1cn(C)c2ccccc12 ZINC000185242204 547958022 /nfs/dbraw/zinc/95/80/22/547958022.db2.gz QCMUMEULHIRCSD-KRWDZBQOSA-N 1 2 368.481 2.356 20 30 FEEDLO N#Cc1ccc(C[N@H+]2CCCN(S(=O)(=O)c3ccc(N)cc3)CC2)cc1 ZINC000185811162 548038806 /nfs/dbraw/zinc/03/88/06/548038806.db2.gz BWFYIRNPCUOQBC-UHFFFAOYSA-N 1 2 370.478 2.037 20 30 FEEDLO N#Cc1ccc(C[N@@H+]2CCCN(S(=O)(=O)c3ccc(N)cc3)CC2)cc1 ZINC000185811162 548038808 /nfs/dbraw/zinc/03/88/08/548038808.db2.gz BWFYIRNPCUOQBC-UHFFFAOYSA-N 1 2 370.478 2.037 20 30 FEEDLO C=C(C)CS(=O)(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000189784521 548311348 /nfs/dbraw/zinc/31/13/48/548311348.db2.gz CIRWXIKINSPHRZ-JKSUJKDBSA-N 1 2 358.891 2.207 20 30 FEEDLO C=C(C)CS(=O)(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000189784521 548311352 /nfs/dbraw/zinc/31/13/52/548311352.db2.gz CIRWXIKINSPHRZ-JKSUJKDBSA-N 1 2 358.891 2.207 20 30 FEEDLO C#CCN1C(=O)c2ccccc2N[C@H]1c1ccc(N(C)CCOC)[nH+]c1 ZINC000190364933 548323820 /nfs/dbraw/zinc/32/38/20/548323820.db2.gz AGKMKUJYXTZJAK-LJQANCHMSA-N 1 2 350.422 2.364 20 30 FEEDLO COc1cc[nH+]c(CN2CCN([C@@H](C#N)c3ccccc3)CC2)c1OC ZINC000190880886 548336267 /nfs/dbraw/zinc/33/62/67/548336267.db2.gz VKTVURPCPWLPFM-SFHVURJKSA-N 1 2 352.438 2.481 20 30 FEEDLO C=CCNC(=O)c1ccc(NC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)cc1 ZINC000192808952 548373957 /nfs/dbraw/zinc/37/39/57/548373957.db2.gz TVSUNNZFXCTHNB-SFHVURJKSA-N 1 2 357.454 2.184 20 30 FEEDLO C=CCNC(=O)c1ccc(NC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)cc1 ZINC000192808952 548373961 /nfs/dbraw/zinc/37/39/61/548373961.db2.gz TVSUNNZFXCTHNB-SFHVURJKSA-N 1 2 357.454 2.184 20 30 FEEDLO CO[C@@H]1C[N@H+](CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)C[C@@H]1OC ZINC000487983540 561380648 /nfs/dbraw/zinc/38/06/48/561380648.db2.gz VUSBSIQMQHTASZ-CALCHBBNSA-N 1 2 365.861 2.241 20 30 FEEDLO CO[C@@H]1C[N@@H+](CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)C[C@@H]1OC ZINC000487983540 561380649 /nfs/dbraw/zinc/38/06/49/561380649.db2.gz VUSBSIQMQHTASZ-CALCHBBNSA-N 1 2 365.861 2.241 20 30 FEEDLO C[N@@H+]1CC[C@@H](NS(=O)(=O)CCCCC#N)[C@H]1c1ccc(F)c(F)c1 ZINC000245701818 548978501 /nfs/dbraw/zinc/97/85/01/548978501.db2.gz QXHNYWVNLUMBKK-HZPDHXFCSA-N 1 2 357.426 2.323 20 30 FEEDLO C[N@H+]1CC[C@@H](NS(=O)(=O)CCCCC#N)[C@H]1c1ccc(F)c(F)c1 ZINC000245701818 548978503 /nfs/dbraw/zinc/97/85/03/548978503.db2.gz QXHNYWVNLUMBKK-HZPDHXFCSA-N 1 2 357.426 2.323 20 30 FEEDLO CC(C)(C)OC(=O)[C@H]1CC[N@@H+]([C@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000246553375 549159982 /nfs/dbraw/zinc/15/99/82/549159982.db2.gz UFMXGJJEDOFFLQ-KBPBESRZSA-N 1 2 361.467 2.389 20 30 FEEDLO CC(C)(C)OC(=O)[C@H]1CC[N@H+]([C@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000246553375 549159988 /nfs/dbraw/zinc/15/99/88/549159988.db2.gz UFMXGJJEDOFFLQ-KBPBESRZSA-N 1 2 361.467 2.389 20 30 FEEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 ZINC000488728896 561395527 /nfs/dbraw/zinc/39/55/27/561395527.db2.gz YMUUDTBAMQQBJG-KRWDZBQOSA-N 1 2 372.469 2.023 20 30 FEEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 ZINC000488728896 561395528 /nfs/dbraw/zinc/39/55/28/561395528.db2.gz YMUUDTBAMQQBJG-KRWDZBQOSA-N 1 2 372.469 2.023 20 30 FEEDLO N#Cc1cc(S(=O)(=O)NCC[N@@H+]2CCc3sccc3C2)ccc1F ZINC000488967876 561400496 /nfs/dbraw/zinc/40/04/96/561400496.db2.gz IYVSWTFXRAMWIN-UHFFFAOYSA-N 1 2 365.455 2.095 20 30 FEEDLO N#Cc1cc(S(=O)(=O)NCC[N@H+]2CCc3sccc3C2)ccc1F ZINC000488967876 561400497 /nfs/dbraw/zinc/40/04/97/561400497.db2.gz IYVSWTFXRAMWIN-UHFFFAOYSA-N 1 2 365.455 2.095 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CCO[C@@]3(CCOC3)C2)c1 ZINC000249063505 549545144 /nfs/dbraw/zinc/54/51/44/549545144.db2.gz YYWYUXAUVYONJW-NQIIRXRSSA-N 1 2 371.481 2.430 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CCO[C@@]3(CCOC3)C2)c1 ZINC000249063505 549545145 /nfs/dbraw/zinc/54/51/45/549545145.db2.gz YYWYUXAUVYONJW-NQIIRXRSSA-N 1 2 371.481 2.430 20 30 FEEDLO COC[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C[C@@H](C)O1 ZINC000251997885 549660677 /nfs/dbraw/zinc/66/06/77/549660677.db2.gz WJDMENANZROOQN-VKJFTORMSA-N 1 2 363.433 2.197 20 30 FEEDLO COC[C@@H]1C[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C[C@@H](C)O1 ZINC000251997885 549660681 /nfs/dbraw/zinc/66/06/81/549660681.db2.gz WJDMENANZROOQN-VKJFTORMSA-N 1 2 363.433 2.197 20 30 FEEDLO COC[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C[C@@H](C)O1 ZINC000252003212 549661006 /nfs/dbraw/zinc/66/10/06/549661006.db2.gz WTPYQWNMTYDCKM-ASLPWWTFSA-N 1 2 351.491 2.041 20 30 FEEDLO COC[C@@H]1C[N@H+]([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C[C@@H](C)O1 ZINC000252003212 549661013 /nfs/dbraw/zinc/66/10/13/549661013.db2.gz WTPYQWNMTYDCKM-ASLPWWTFSA-N 1 2 351.491 2.041 20 30 FEEDLO C=CCNC(=O)c1ccc(NCc2ccc(N3CCO[C@H](C)C3)[nH+]c2)nc1 ZINC000264864867 550002850 /nfs/dbraw/zinc/00/28/50/550002850.db2.gz MXYUHKWJQZWEOD-OAHLLOKOSA-N 1 2 367.453 2.230 20 30 FEEDLO C=CCNC(=O)c1ccc(N2CC[NH+](Cc3ccc(Cl)nc3)CC2)nc1 ZINC000265400617 550009432 /nfs/dbraw/zinc/00/94/32/550009432.db2.gz YAVNSSVVNISLDZ-UHFFFAOYSA-N 1 2 371.872 2.368 20 30 FEEDLO CC(C)CO[C@H](C)C(N)=[NH+]O[C@@H](C)C(=O)N[C@H]1CCOc2ccccc21 ZINC000266216421 550018630 /nfs/dbraw/zinc/01/86/30/550018630.db2.gz PZYMMKXEYQLWER-YCPHGPKFSA-N 1 2 363.458 2.365 20 30 FEEDLO N#Cc1ccc(/C=C2\SC(=S)N(CCC[NH+]3CCOCC3)C2=O)o1 ZINC000266597431 550021915 /nfs/dbraw/zinc/02/19/15/550021915.db2.gz OXHSYQQFLYDVDP-UVTDQMKNSA-N 1 2 363.464 2.075 20 30 FEEDLO COc1ccc(CC(N)=[NH+]OCC(=O)N(C)Cc2cccc(OC)c2)cc1 ZINC000267021380 550026586 /nfs/dbraw/zinc/02/65/86/550026586.db2.gz RDZSTNLWJMNSEJ-UHFFFAOYSA-N 1 2 371.437 2.194 20 30 FEEDLO N#CCC[N@@H+](CC(=O)NC(=O)Nc1ccc2c(c1)OCCCO2)CC1CC1 ZINC000267061547 550027180 /nfs/dbraw/zinc/02/71/80/550027180.db2.gz IQQLEISECSDBTG-UHFFFAOYSA-N 1 2 372.425 2.122 20 30 FEEDLO N#CCC[N@H+](CC(=O)NC(=O)Nc1ccc2c(c1)OCCCO2)CC1CC1 ZINC000267061547 550027183 /nfs/dbraw/zinc/02/71/83/550027183.db2.gz IQQLEISECSDBTG-UHFFFAOYSA-N 1 2 372.425 2.122 20 30 FEEDLO CCOCCO[C@H]1CC[N@H+](CC(=O)Nc2ccccc2SCC#N)C1 ZINC000269732205 550221352 /nfs/dbraw/zinc/22/13/52/550221352.db2.gz XVGXNGPNQQLNJX-HNNXBMFYSA-N 1 2 363.483 2.368 20 30 FEEDLO CCOCCO[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2SCC#N)C1 ZINC000269732205 550221355 /nfs/dbraw/zinc/22/13/55/550221355.db2.gz XVGXNGPNQQLNJX-HNNXBMFYSA-N 1 2 363.483 2.368 20 30 FEEDLO C=CCNC(=O)NC(=O)[C@@H](C)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000270154746 550252204 /nfs/dbraw/zinc/25/22/04/550252204.db2.gz WNJYFDFZZULGIQ-CQSZACIVSA-N 1 2 365.437 2.414 20 30 FEEDLO C#CC[C@@H](NC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)c1ccccc1 ZINC000270168535 550253506 /nfs/dbraw/zinc/25/35/06/550253506.db2.gz BEUZPJNCWAOVFP-LJQANCHMSA-N 1 2 367.453 2.101 20 30 FEEDLO C=CC[N@@H+](CCc1ccco1)Cc1nnc2n1c1ccccc1c(=O)n2C ZINC000272310396 550436626 /nfs/dbraw/zinc/43/66/26/550436626.db2.gz RMDJDYAANYLFRM-UHFFFAOYSA-N 1 2 363.421 2.405 20 30 FEEDLO C=CC[N@H+](CCc1ccco1)Cc1nnc2n1c1ccccc1c(=O)n2C ZINC000272310396 550436628 /nfs/dbraw/zinc/43/66/28/550436628.db2.gz RMDJDYAANYLFRM-UHFFFAOYSA-N 1 2 363.421 2.405 20 30 FEEDLO CC(=O)c1ccc(C#N)c(NCCC[NH+]2CCN(c3ncccn3)CC2)c1 ZINC000272609422 550460872 /nfs/dbraw/zinc/46/08/72/550460872.db2.gz ZBZMPXUKUVGOLV-UHFFFAOYSA-N 1 2 364.453 2.175 20 30 FEEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000273922980 550515948 /nfs/dbraw/zinc/51/59/48/550515948.db2.gz DRCDGZQUJNHJMD-OAHLLOKOSA-N 1 2 374.510 2.439 20 30 FEEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000273922980 550515950 /nfs/dbraw/zinc/51/59/50/550515950.db2.gz DRCDGZQUJNHJMD-OAHLLOKOSA-N 1 2 374.510 2.439 20 30 FEEDLO C=CCNC(=O)c1ccc(N2CC[NH+]([C@@H](C)c3nccs3)CC2)nc1 ZINC000274259359 550530099 /nfs/dbraw/zinc/53/00/99/550530099.db2.gz AXVKWSWCRXLUPX-AWEZNQCLSA-N 1 2 357.483 2.337 20 30 FEEDLO C=CCn1c(C)cc(C(=O)C[N@@H+](C)CCOCCOCCOC)c1C ZINC000276130102 550577136 /nfs/dbraw/zinc/57/71/36/550577136.db2.gz CSISLRIDFZGYFA-UHFFFAOYSA-N 1 2 352.475 2.085 20 30 FEEDLO C=CCn1c(C)cc(C(=O)C[N@H+](C)CCOCCOCCOC)c1C ZINC000276130102 550577137 /nfs/dbraw/zinc/57/71/37/550577137.db2.gz CSISLRIDFZGYFA-UHFFFAOYSA-N 1 2 352.475 2.085 20 30 FEEDLO C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000277621016 550692786 /nfs/dbraw/zinc/69/27/86/550692786.db2.gz AHVRAXPUPFTEOH-AWEZNQCLSA-N 1 2 359.861 2.094 20 30 FEEDLO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C)c1nc(C(F)(F)F)cs1 ZINC000278842594 550827917 /nfs/dbraw/zinc/82/79/17/550827917.db2.gz FAFFYBSHQQFQCS-HTQZYQBOSA-N 1 2 350.366 2.213 20 30 FEEDLO C=CCOc1ccc(/C=C/C(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)cc1OC ZINC000279068041 550852872 /nfs/dbraw/zinc/85/28/72/550852872.db2.gz DVXOPZCBMPTCAA-LKUPDRCFSA-N 1 2 374.481 2.452 20 30 FEEDLO C=C[C@](C)(O)CC(=O)NC1(c2noc(C[NH+](CC)CC)n2)CCCC1 ZINC000279195574 550863832 /nfs/dbraw/zinc/86/38/32/550863832.db2.gz KEVFLBMBQBFUPF-KRWDZBQOSA-N 1 2 350.463 2.124 20 30 FEEDLO C[N@@H+]1CCc2nc(NC(=O)[C@@H](C#N)Cc3ccc(C#N)cc3)sc2C1 ZINC000279563223 550903579 /nfs/dbraw/zinc/90/35/79/550903579.db2.gz OZCVTOCYRJWIND-CQSZACIVSA-N 1 2 351.435 2.324 20 30 FEEDLO C[N@H+]1CCc2nc(NC(=O)[C@@H](C#N)Cc3ccc(C#N)cc3)sc2C1 ZINC000279563223 550903580 /nfs/dbraw/zinc/90/35/80/550903580.db2.gz OZCVTOCYRJWIND-CQSZACIVSA-N 1 2 351.435 2.324 20 30 FEEDLO Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1CNC(=O)/C=C/c1cccc(C#N)c1 ZINC000280141836 550964633 /nfs/dbraw/zinc/96/46/33/550964633.db2.gz AVTFLUZCRXJWOZ-ZBKUBXTQSA-N 1 2 367.428 2.034 20 30 FEEDLO C=CCN1CC[C@@H](N(C)C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)C1=O ZINC000281249197 551077936 /nfs/dbraw/zinc/07/79/36/551077936.db2.gz DLGXQMVXWIKBSA-MRXNPFEDSA-N 1 2 353.426 2.338 20 30 FEEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)N[C@@H](c2ccc(OC)cc2)C(C)C)C1=O ZINC000281327969 551085088 /nfs/dbraw/zinc/08/50/88/551085088.db2.gz LSLVYVJLCWMJMM-UYAOXDASSA-N 1 2 373.497 2.227 20 30 FEEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)N[C@@H](c2ccc(OC)cc2)C(C)C)C1=O ZINC000281327969 551085090 /nfs/dbraw/zinc/08/50/90/551085090.db2.gz LSLVYVJLCWMJMM-UYAOXDASSA-N 1 2 373.497 2.227 20 30 FEEDLO CC[C@H](C(=O)N(CCC#N)CC[NH+]1CCOCC1)c1ccc(OC)cc1 ZINC000281554015 551112294 /nfs/dbraw/zinc/11/22/94/551112294.db2.gz JKXOGCKIPZWJFE-IBGZPJMESA-N 1 2 359.470 2.263 20 30 FEEDLO N#Cc1ccc(-c2nnc(C[NH2+][C@]3(CO)CCOc4ccccc43)o2)cc1 ZINC000281793702 551144421 /nfs/dbraw/zinc/14/44/21/551144421.db2.gz UUJRQCIJNAQSRL-FQEVSTJZSA-N 1 2 362.389 2.368 20 30 FEEDLO C#CC[NH+]1CCN(c2nnc(-c3ccccc3OC)n2CC(=C)C)CC1 ZINC000282831017 551275163 /nfs/dbraw/zinc/27/51/63/551275163.db2.gz JSEUMXGJZNEMKS-UHFFFAOYSA-N 1 2 351.454 2.285 20 30 FEEDLO COc1cc(N2CC[NH+](CC(=O)N[C@](C)(C#N)C(C)C)CC2)ccc1F ZINC000282898369 551283235 /nfs/dbraw/zinc/28/32/35/551283235.db2.gz WQSAKJZYUUOVDZ-LJQANCHMSA-N 1 2 362.449 2.011 20 30 FEEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(C)o3)n2CCCOCC)CC1 ZINC000283091395 551310010 /nfs/dbraw/zinc/31/00/10/551310010.db2.gz UAJREZXJCNIXAP-UHFFFAOYSA-N 1 2 357.458 2.028 20 30 FEEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(C)s3)n2C[C@H]2CCOC2)CC1 ZINC000283345792 551351344 /nfs/dbraw/zinc/35/13/44/551351344.db2.gz KLDUSYRISUWSDX-MRXNPFEDSA-N 1 2 371.510 2.107 20 30 FEEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000284830854 551645617 /nfs/dbraw/zinc/64/56/17/551645617.db2.gz OVFXJMIBTMYGRZ-WMZOPIPTSA-N 1 2 358.442 2.282 20 30 FEEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000284830854 551645621 /nfs/dbraw/zinc/64/56/21/551645621.db2.gz OVFXJMIBTMYGRZ-WMZOPIPTSA-N 1 2 358.442 2.282 20 30 FEEDLO CN(C[C@@H]1OCC[N@H+](C)[C@H]1c1ccccc1)C(=O)c1ccnc(C#N)c1 ZINC000284941302 551672445 /nfs/dbraw/zinc/67/24/45/551672445.db2.gz VHBCAIAFYJZFHC-OALUTQOASA-N 1 2 350.422 2.097 20 30 FEEDLO CN(C[C@@H]1OCC[N@@H+](C)[C@H]1c1ccccc1)C(=O)c1ccnc(C#N)c1 ZINC000284941302 551672449 /nfs/dbraw/zinc/67/24/49/551672449.db2.gz VHBCAIAFYJZFHC-OALUTQOASA-N 1 2 350.422 2.097 20 30 FEEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)CCCCOc1cccc(C#N)c1 ZINC000285848021 551818371 /nfs/dbraw/zinc/81/83/71/551818371.db2.gz PDURCWBKUPPUNX-MJGOQNOKSA-N 1 2 371.481 2.429 20 30 FEEDLO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(c3cccc(C#N)n3)C2)CC1 ZINC000286267829 551867542 /nfs/dbraw/zinc/86/75/42/551867542.db2.gz FKTZYCHHPDFLMU-MRXNPFEDSA-N 1 2 357.458 2.085 20 30 FEEDLO CCOC(=O)C1(S(C)(=O)=O)CC[NH+]([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000286441077 551885825 /nfs/dbraw/zinc/88/58/25/551885825.db2.gz LSDYJPOJZJVNMS-AWEZNQCLSA-N 1 2 364.467 2.062 20 30 FEEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000286488260 551891695 /nfs/dbraw/zinc/89/16/95/551891695.db2.gz LRXBXOVWRXEGIU-KWCYVHTRSA-N 1 2 355.360 2.378 20 30 FEEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000286488260 551891696 /nfs/dbraw/zinc/89/16/96/551891696.db2.gz LRXBXOVWRXEGIU-KWCYVHTRSA-N 1 2 355.360 2.378 20 30 FEEDLO CCn1cc[nH+]c1[C@H](NC(=O)c1ccc(C#N)c(C)n1)C1CCOCC1 ZINC000286875006 551935469 /nfs/dbraw/zinc/93/54/69/551935469.db2.gz OARLWKNVFKUWTC-QGZVFWFLSA-N 1 2 353.426 2.376 20 30 FEEDLO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)Cc3nncn3C)sc2C1 ZINC000287090040 551962288 /nfs/dbraw/zinc/96/22/88/551962288.db2.gz XAIABJMJBGOFJI-GFCCVEGCSA-N 1 2 372.498 2.334 20 30 FEEDLO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+](C)Cc3nncn3C)sc2C1 ZINC000287090040 551962289 /nfs/dbraw/zinc/96/22/89/551962289.db2.gz XAIABJMJBGOFJI-GFCCVEGCSA-N 1 2 372.498 2.334 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)o1 ZINC000287604355 552024361 /nfs/dbraw/zinc/02/43/61/552024361.db2.gz ZHJPWIQGGFIIDF-ZDUSSCGKSA-N 1 2 360.439 2.252 20 30 FEEDLO Cc1onc(CC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c1C#N ZINC000499606261 561554505 /nfs/dbraw/zinc/55/45/05/561554505.db2.gz VCANBMMZZGJPQA-VMPITWQZSA-N 1 2 350.422 2.255 20 30 FEEDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)Cc3noc(C)c3C#N)CC2)c1 ZINC000499966262 561563122 /nfs/dbraw/zinc/56/31/22/561563122.db2.gz AYEFWZMLHITBPD-CQSZACIVSA-N 1 2 368.437 2.311 20 30 FEEDLO N#Cc1cc(Oc2ccc(NC(=O)NCC[NH+]3CCOCC3)cc2)ccn1 ZINC000289945423 552403622 /nfs/dbraw/zinc/40/36/22/552403622.db2.gz VXUIVGAGAMWAKZ-UHFFFAOYSA-N 1 2 367.409 2.199 20 30 FEEDLO COc1ccc([C@@H]2CC[N@H+](CCS(=O)(=O)c3ccc(C#N)cn3)C2)cc1 ZINC000290174766 552438125 /nfs/dbraw/zinc/43/81/25/552438125.db2.gz DZSGZOZFLIFGNT-QGZVFWFLSA-N 1 2 371.462 2.225 20 30 FEEDLO COc1ccc([C@@H]2CC[N@@H+](CCS(=O)(=O)c3ccc(C#N)cn3)C2)cc1 ZINC000290174766 552438127 /nfs/dbraw/zinc/43/81/27/552438127.db2.gz DZSGZOZFLIFGNT-QGZVFWFLSA-N 1 2 371.462 2.225 20 30 FEEDLO C[N@@H+]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)C(C)(C)C1 ZINC000501192233 561592250 /nfs/dbraw/zinc/59/22/50/561592250.db2.gz PFAWJVXRWUIPIT-UHFFFAOYSA-N 1 2 361.389 2.292 20 30 FEEDLO C[N@H+]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)C(C)(C)C1 ZINC000501192233 561592251 /nfs/dbraw/zinc/59/22/51/561592251.db2.gz PFAWJVXRWUIPIT-UHFFFAOYSA-N 1 2 361.389 2.292 20 30 FEEDLO C[C@@H](c1nnnn1-c1ccccc1)[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292354152 552718824 /nfs/dbraw/zinc/71/88/24/552718824.db2.gz XPIWLALAEMAOEP-WMLDXEAASA-N 1 2 361.409 2.143 20 30 FEEDLO C[C@@H](c1nnnn1-c1ccccc1)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292354152 552718826 /nfs/dbraw/zinc/71/88/26/552718826.db2.gz XPIWLALAEMAOEP-WMLDXEAASA-N 1 2 361.409 2.143 20 30 FEEDLO C=CCC(F)(F)C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000293138106 552792391 /nfs/dbraw/zinc/79/23/91/552792391.db2.gz COAQJZGXAJHBLQ-UHFFFAOYSA-N 1 2 354.397 2.225 20 30 FEEDLO Cc1ccc2snc(C(=O)N(CCC#N)CC[NH+]3CCOCC3)c2c1 ZINC000293278720 552806457 /nfs/dbraw/zinc/80/64/57/552806457.db2.gz CJZUNAUYEOGCJE-UHFFFAOYSA-N 1 2 358.467 2.293 20 30 FEEDLO C=CCOCCN1CCN(C(=O)OC(C)(C)C)C[C@H]1c1[nH+]ccn1C ZINC000294040512 552877566 /nfs/dbraw/zinc/87/75/66/552877566.db2.gz IQMZEBCYZZSWOM-HNNXBMFYSA-N 1 2 350.463 2.217 20 30 FEEDLO N#C[C@@]1(C(=O)N2CCN(Cc3cn4ccccc4[nH+]3)CC2)CC12CCCC2 ZINC000294513394 552912097 /nfs/dbraw/zinc/91/20/97/552912097.db2.gz SQVZUNVPPRIHEZ-OAQYLSRUSA-N 1 2 363.465 2.453 20 30 FEEDLO Cc1cc(N(CCC#N)C(=O)C[N@@H+](C)C(C)(C)C(N)=O)ccc1Cl ZINC000295791106 553059504 /nfs/dbraw/zinc/05/95/04/553059504.db2.gz VEMJUUWIBBYXIL-UHFFFAOYSA-N 1 2 350.850 2.091 20 30 FEEDLO Cc1cc(N(CCC#N)C(=O)C[N@H+](C)C(C)(C)C(N)=O)ccc1Cl ZINC000295791106 553059505 /nfs/dbraw/zinc/05/95/05/553059505.db2.gz VEMJUUWIBBYXIL-UHFFFAOYSA-N 1 2 350.850 2.091 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H](c3ccncc3)C2)nc1 ZINC000295908977 553074607 /nfs/dbraw/zinc/07/46/07/553074607.db2.gz ITPICTPHXMXAGB-QGZVFWFLSA-N 1 2 356.451 2.002 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@@H](c3ccncc3)C2)nc1 ZINC000295908977 553074609 /nfs/dbraw/zinc/07/46/09/553074609.db2.gz ITPICTPHXMXAGB-QGZVFWFLSA-N 1 2 356.451 2.002 20 30 FEEDLO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CC[C@@H](OC(=O)N(C)C)C2)cc1 ZINC000296590651 553183831 /nfs/dbraw/zinc/18/38/31/553183831.db2.gz FLSSKBDCISOUCX-SJLPKXTDSA-N 1 2 372.469 2.403 20 30 FEEDLO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CC[C@@H](OC(=O)N(C)C)C2)cc1 ZINC000296590651 553183832 /nfs/dbraw/zinc/18/38/32/553183832.db2.gz FLSSKBDCISOUCX-SJLPKXTDSA-N 1 2 372.469 2.403 20 30 FEEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@@H](OC(=O)N(C)C)C1 ZINC000296680487 553197209 /nfs/dbraw/zinc/19/72/09/553197209.db2.gz LIJNXFWXFTWWEU-NVXWUHKLSA-N 1 2 358.442 2.094 20 30 FEEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@@H](OC(=O)N(C)C)C1 ZINC000296680487 553197211 /nfs/dbraw/zinc/19/72/11/553197211.db2.gz LIJNXFWXFTWWEU-NVXWUHKLSA-N 1 2 358.442 2.094 20 30 FEEDLO Cc1cccn2cc(CNS(=O)(=O)Cc3cc(C#N)ccc3F)[nH+]c12 ZINC000503777628 561648099 /nfs/dbraw/zinc/64/80/99/561648099.db2.gz UWCRCBNVHAHSHE-UHFFFAOYSA-N 1 2 358.398 2.273 20 30 FEEDLO CC[NH+](CC)Cc1nc(C2(NC(=O)CSCC#N)CCCC2)no1 ZINC000299292653 553543541 /nfs/dbraw/zinc/54/35/41/553543541.db2.gz JVMCFVYZUKFVJX-UHFFFAOYSA-N 1 2 351.476 2.054 20 30 FEEDLO C#CCCN1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000299541392 553578298 /nfs/dbraw/zinc/57/82/98/553578298.db2.gz FLCUAMLODLOILE-UHFFFAOYSA-N 1 2 356.495 2.078 20 30 FEEDLO N#Cc1cccc(N2CC[NH+](CC(=O)N3CCCc4ccccc43)CC2)n1 ZINC000301252416 553635540 /nfs/dbraw/zinc/63/55/40/553635540.db2.gz BVWFFEKAOZLCFO-UHFFFAOYSA-N 1 2 361.449 2.055 20 30 FEEDLO CCN(CC)c1ccc(CNc2ccc(S(N)(=O)=O)cc2C#N)c[nH+]1 ZINC000301388627 553648027 /nfs/dbraw/zinc/64/80/27/553648027.db2.gz YRBYYSIQMJTJTQ-UHFFFAOYSA-N 1 2 359.455 2.059 20 30 FEEDLO C[C@@H]1CN(c2ccc(CNc3nccc(C#N)c3[N+](=O)[O-])c[nH+]2)C[C@H](C)O1 ZINC000301641942 553667673 /nfs/dbraw/zinc/66/76/73/553667673.db2.gz MPRVFLVGLBNPRG-BETUJISGSA-N 1 2 368.397 2.482 20 30 FEEDLO Cc1ccc(N2CC[NH+](CC(=O)Nc3ccc(F)cc3)CC2)nc1C#N ZINC000302706018 553727607 /nfs/dbraw/zinc/72/76/07/553727607.db2.gz JTVSPFMEFHDTRW-UHFFFAOYSA-N 1 2 353.401 2.162 20 30 FEEDLO C=C(C)CN(CC)C(=O)C[NH+]1CCN(Cc2cc(F)ccc2OC)CC1 ZINC000302759611 553731095 /nfs/dbraw/zinc/73/10/95/553731095.db2.gz OUKNGYFSQXQKEV-UHFFFAOYSA-N 1 2 363.477 2.377 20 30 FEEDLO CN(C)c1ncc(C[N@H+](C)CC(=O)Nc2cc(Cl)ccc2C#N)cn1 ZINC000505470413 561671673 /nfs/dbraw/zinc/67/16/73/561671673.db2.gz ALULJWBHMVLAHX-UHFFFAOYSA-N 1 2 358.833 2.138 20 30 FEEDLO CN(C)c1ncc(C[N@@H+](C)CC(=O)Nc2cc(Cl)ccc2C#N)cn1 ZINC000505470413 561671674 /nfs/dbraw/zinc/67/16/74/561671674.db2.gz ALULJWBHMVLAHX-UHFFFAOYSA-N 1 2 358.833 2.138 20 30 FEEDLO C=CCCc1ccccc1NC(=O)C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000505599992 561675041 /nfs/dbraw/zinc/67/50/41/561675041.db2.gz RCPMGSTZZIDYQL-MRXNPFEDSA-N 1 2 352.438 2.493 20 30 FEEDLO CN(Cc1cn2c([nH+]1)CCCC2)S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000328644844 553801093 /nfs/dbraw/zinc/80/10/93/553801093.db2.gz ZLNFJVKBOMDGEB-UHFFFAOYSA-N 1 2 366.393 2.190 20 30 FEEDLO CC(=O)N1CC[NH+](CCNC(=O)Cc2csc(C(C)(C)C)n2)CC1 ZINC000328744160 553815221 /nfs/dbraw/zinc/81/52/21/553815221.db2.gz KJGQDWUFERMJQD-UHFFFAOYSA-N 1 2 352.504 2.104 20 30 FEEDLO O=C(N[C@@H]1CCO[C@H]1C1CC1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000328822700 553827796 /nfs/dbraw/zinc/82/77/96/553827796.db2.gz GHZAODOUZPBTLU-MOPGFXCFSA-N 1 2 359.470 2.165 20 30 FEEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)Nc3nc4c(s3)CCCCC4)C[C@@H]21 ZINC000328827529 553829061 /nfs/dbraw/zinc/82/90/61/553829061.db2.gz ILYNGEDTDVEDMY-UONOGXRCSA-N 1 2 350.488 2.362 20 30 FEEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)Nc3nc4c(s3)CCCCC4)C[C@@H]21 ZINC000328827529 553829064 /nfs/dbraw/zinc/82/90/64/553829064.db2.gz ILYNGEDTDVEDMY-UONOGXRCSA-N 1 2 350.488 2.362 20 30 FEEDLO O=C(NCc1ccc(N2CCOCC2)[nH+]c1)N1CC[C@H](C2CCOCC2)C1 ZINC000328836432 553830006 /nfs/dbraw/zinc/83/00/06/553830006.db2.gz MRZMQCGTGJCUHD-SFHVURJKSA-N 1 2 374.485 2.081 20 30 FEEDLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1CCC(=O)N(C2CC2)[C@@H]1c1ccnn1C ZINC000328868272 553835735 /nfs/dbraw/zinc/83/57/35/553835735.db2.gz CMQZPPSFBQOCCQ-DYVFJYSZSA-N 1 2 356.430 2.050 20 30 FEEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)NCc3ccccc3OC3CCC3)C[C@H]21 ZINC000328893603 553840101 /nfs/dbraw/zinc/84/01/01/553840101.db2.gz UMCTYLMZDMLLGI-IEBWSBKVSA-N 1 2 359.470 2.437 20 30 FEEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)NCc3ccccc3OC3CCC3)C[C@H]21 ZINC000328893603 553840104 /nfs/dbraw/zinc/84/01/04/553840104.db2.gz UMCTYLMZDMLLGI-IEBWSBKVSA-N 1 2 359.470 2.437 20 30 FEEDLO C[N@@H+]1CC[C@H](NC(=O)NC[C@@H]2CCC[C@@H]2O)[C@H]1c1ccc(F)c(F)c1 ZINC000328932242 553847981 /nfs/dbraw/zinc/84/79/81/553847981.db2.gz DHIIAWRWVCTGMG-OSMBCOQSSA-N 1 2 353.413 2.375 20 30 FEEDLO C[N@H+]1CC[C@H](NC(=O)NC[C@@H]2CCC[C@@H]2O)[C@H]1c1ccc(F)c(F)c1 ZINC000328932242 553847983 /nfs/dbraw/zinc/84/79/83/553847983.db2.gz DHIIAWRWVCTGMG-OSMBCOQSSA-N 1 2 353.413 2.375 20 30 FEEDLO Cn1cc[nH+]c1[C@H](NC(=O)N[C@H]1CCOC2(CCC2)C1)C1CCOCC1 ZINC000328978003 553857557 /nfs/dbraw/zinc/85/75/57/553857557.db2.gz DNRARJLTJVOBLF-JKSUJKDBSA-N 1 2 362.474 2.493 20 30 FEEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CC[C@H](c3nc(C4CC4)no3)C2)C1=O ZINC000329027167 553867122 /nfs/dbraw/zinc/86/71/22/553867122.db2.gz KBVQGJIFOFWFIA-KBPBESRZSA-N 1 2 369.450 2.475 20 30 FEEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CC[C@H](c3nc(C4CC4)no3)C2)C1=O ZINC000329027167 553867125 /nfs/dbraw/zinc/86/71/25/553867125.db2.gz KBVQGJIFOFWFIA-KBPBESRZSA-N 1 2 369.450 2.475 20 30 FEEDLO CCN1CCOC[C@@H]1C(=O)NC[C@@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000329100840 553880556 /nfs/dbraw/zinc/88/05/56/553880556.db2.gz ZOZYOBKFAJMHNR-RBUKOAKNSA-N 1 2 361.486 2.046 20 30 FEEDLO Cc1ccc(-n2cccn2)cc1NC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000329130035 553885902 /nfs/dbraw/zinc/88/59/02/553885902.db2.gz ODDFZJCYRUYDLO-MSOLQXFVSA-N 1 2 355.442 2.131 20 30 FEEDLO Cc1ccc(-n2cccn2)cc1NC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000329130035 553885903 /nfs/dbraw/zinc/88/59/03/553885903.db2.gz ODDFZJCYRUYDLO-MSOLQXFVSA-N 1 2 355.442 2.131 20 30 FEEDLO C[C@H](C(=O)NC[C@@H](C)c1ccccc1)[N@@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000329165355 553893350 /nfs/dbraw/zinc/89/33/50/553893350.db2.gz HLXKCHPGBXVMAX-TXCZRRACSA-N 1 2 350.484 2.254 20 30 FEEDLO C[C@H](C(=O)NC[C@@H](C)c1ccccc1)[N@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000329165355 553893351 /nfs/dbraw/zinc/89/33/51/553893351.db2.gz HLXKCHPGBXVMAX-TXCZRRACSA-N 1 2 350.484 2.254 20 30 FEEDLO CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000329224762 553906130 /nfs/dbraw/zinc/90/61/30/553906130.db2.gz CPUFOBPHDDQFNZ-TVFCKZIOSA-N 1 2 353.507 2.147 20 30 FEEDLO CC1(CNC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CCCCCC1 ZINC000329240859 553908621 /nfs/dbraw/zinc/90/86/21/553908621.db2.gz RHTWYHAQNLNINK-UHFFFAOYSA-N 1 2 363.506 2.902 20 30 FEEDLO Cc1[nH+]ccn1C[C@@H](C)C[NH+]=C([O-])N1CCC(C(=O)N2CCCC2)CC1 ZINC000329299115 553920520 /nfs/dbraw/zinc/92/05/20/553920520.db2.gz URPVXBAISJIYLQ-HNNXBMFYSA-N 1 2 361.490 2.076 20 30 FEEDLO Cc1noc([C@H](NC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)C2CCOCC2)n1 ZINC000329396050 553938480 /nfs/dbraw/zinc/93/84/80/553938480.db2.gz VWYHNBYBMIMBFT-HZPDHXFCSA-N 1 2 374.445 2.121 20 30 FEEDLO O=C(NC[C@@H]1CCCn2cc[nH+]c21)N1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000329518699 553961255 /nfs/dbraw/zinc/96/12/55/553961255.db2.gz FBJWUAOHLRATKO-WFASDCNBSA-N 1 2 360.380 2.454 20 30 FEEDLO COc1ccc(NC(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)cc1Br ZINC000329521575 553961875 /nfs/dbraw/zinc/96/18/75/553961875.db2.gz OYHCWQHMUHJHAE-GXTWGEPZSA-N 1 2 370.247 2.018 20 30 FEEDLO COc1ccc(NC(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)cc1Br ZINC000329521575 553961876 /nfs/dbraw/zinc/96/18/76/553961876.db2.gz OYHCWQHMUHJHAE-GXTWGEPZSA-N 1 2 370.247 2.018 20 30 FEEDLO O=C1CC[C@H]([NH+]=C([O-])N2CCC(n3cc[nH+]c3)CC2)[C@@H]([C@@H]2CCCO2)N1 ZINC000329736432 553997188 /nfs/dbraw/zinc/99/71/88/553997188.db2.gz LLPVDSJEVYODEU-ZOBUZTSGSA-N 1 2 361.446 2.101 20 30 FEEDLO O=C(N[C@H]1CCC(=O)N[C@@H]1[C@@H]1CCCO1)N1CCC(n2cc[nH+]c2)CC1 ZINC000329736432 553997190 /nfs/dbraw/zinc/99/71/90/553997190.db2.gz LLPVDSJEVYODEU-ZOBUZTSGSA-N 1 2 361.446 2.101 20 30 FEEDLO O=C(NC[C@@H]1CCCCS1(=O)=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000329750348 553999640 /nfs/dbraw/zinc/99/96/40/553999640.db2.gz IAZBXHOJRWJKRB-KRWDZBQOSA-N 1 2 371.547 2.066 20 30 FEEDLO CC(=O)N1CCC(NC(=O)C[NH2+]C2(c3nc(C)cs3)CCC2)CC1 ZINC000329764751 554001703 /nfs/dbraw/zinc/00/17/03/554001703.db2.gz WCNKVNKNOWEYBL-UHFFFAOYSA-N 1 2 350.488 2.388 20 30 FEEDLO CC(=O)N1CCC(NC(=O)C[N@@H+](C)Cc2c(C)nc3sccn23)CC1 ZINC000329805357 554009268 /nfs/dbraw/zinc/00/92/68/554009268.db2.gz KQYWQEZOQRIDGF-UHFFFAOYSA-N 1 2 363.487 2.103 20 30 FEEDLO CC(=O)N1CCC(NC(=O)C[N@H+](C)Cc2c(C)nc3sccn23)CC1 ZINC000329805357 554009269 /nfs/dbraw/zinc/00/92/69/554009269.db2.gz KQYWQEZOQRIDGF-UHFFFAOYSA-N 1 2 363.487 2.103 20 30 FEEDLO C[C@H](C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000329815063 554010830 /nfs/dbraw/zinc/01/08/30/554010830.db2.gz DJTQZVRJPIGUKR-BNOWGMLFSA-N 1 2 361.398 2.212 20 30 FEEDLO C[C@H](C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000329815063 554010833 /nfs/dbraw/zinc/01/08/33/554010833.db2.gz DJTQZVRJPIGUKR-BNOWGMLFSA-N 1 2 361.398 2.212 20 30 FEEDLO CCN1CCN([C@H](C)C(=O)Nc2c(C)nn(C)c2C)C[C@H]1c1[nH]cc[nH+]1 ZINC000329934112 554034688 /nfs/dbraw/zinc/03/46/88/554034688.db2.gz JPKZIXSRMJGGRU-CABCVRRESA-N 1 2 359.478 2.115 20 30 FEEDLO CC[C@H](NC(=O)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1)C1CCOCC1 ZINC000329967280 554040950 /nfs/dbraw/zinc/04/09/50/554040950.db2.gz VMQPIPBMRVFVPB-PBHICJAKSA-N 1 2 366.506 2.231 20 30 FEEDLO COC1(CC(=O)N2CC[NH+]([C@H](C)C(=O)NC3CCCC3)CC2)CCC1 ZINC000330055133 554056217 /nfs/dbraw/zinc/05/62/17/554056217.db2.gz TWOUWDYCVVJJJL-OAHLLOKOSA-N 1 2 351.491 2.377 20 30 FEEDLO CCn1cc([C@@H]2CN(C(=O)NC[C@H]3CCCn4cc(C)[nH+]c43)CCO2)cn1 ZINC000330057304 554056643 /nfs/dbraw/zinc/05/66/43/554056643.db2.gz XGNIQVRSDLNOTG-WBVHZDCISA-N 1 2 372.473 2.273 20 30 FEEDLO Cc1ccc(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)cc1N1C(=O)CNC1=O ZINC000330067541 554058547 /nfs/dbraw/zinc/05/85/47/554058547.db2.gz UOEYYTAEQAVFMN-GFCCVEGCSA-N 1 2 353.382 2.303 20 30 FEEDLO C[C@H]1C[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C[C@@]2(CCCOC2)O1 ZINC000330105127 554064961 /nfs/dbraw/zinc/06/49/61/554064961.db2.gz IDMDNUSVOWSSBU-IFXJQAMLSA-N 1 2 354.410 2.378 20 30 FEEDLO C[C@H]1C[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C[C@@]2(CCCOC2)O1 ZINC000330105127 554064965 /nfs/dbraw/zinc/06/49/65/554064965.db2.gz IDMDNUSVOWSSBU-IFXJQAMLSA-N 1 2 354.410 2.378 20 30 FEEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])N1CC[C@H](N3CCCC3=O)C1)C2 ZINC000330110116 554066033 /nfs/dbraw/zinc/06/60/33/554066033.db2.gz QDRARJSDQLPSJW-GJZGRUSLSA-N 1 2 373.501 2.106 20 30 FEEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)c2ccnc(O[C@H]3CCOC3)c2)CCO1 ZINC000330338900 554107853 /nfs/dbraw/zinc/10/78/53/554107853.db2.gz VZUBXYATEJIVTD-VYDXJSESSA-N 1 2 372.425 2.208 20 30 FEEDLO CCN1CCN(C(=O)Nc2cccc(N(C)C(C)=O)c2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000330357034 554111198 /nfs/dbraw/zinc/11/11/98/554111198.db2.gz SKAPOAGBDQMNFD-QGZVFWFLSA-N 1 2 370.457 2.317 20 30 FEEDLO C[C@@H]1CN(c2ccc(CNC(=O)NCC(C)(C)C(N)=O)c[nH+]2)C[C@H](C)O1 ZINC000330398017 554116416 /nfs/dbraw/zinc/11/64/16/554116416.db2.gz SNIOILPKAKSGDX-BETUJISGSA-N 1 2 363.462 2.260 20 30 FEEDLO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)C(=O)Nc1c[nH+]ccc1OC ZINC000508006577 561748652 /nfs/dbraw/zinc/74/86/52/561748652.db2.gz RLYUYTAAYKTPNG-UHFFFAOYSA-N 1 2 371.441 2.411 20 30 FEEDLO CNC(=O)N[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cc(C)c(Cl)cc2OC)C1 ZINC000330940699 554191743 /nfs/dbraw/zinc/19/17/43/554191743.db2.gz DYZBSTXGXNPGGE-NWDGAFQWSA-N 1 2 368.865 2.192 20 30 FEEDLO CNC(=O)N[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cc(C)c(Cl)cc2OC)C1 ZINC000330940699 554191745 /nfs/dbraw/zinc/19/17/45/554191745.db2.gz DYZBSTXGXNPGGE-NWDGAFQWSA-N 1 2 368.865 2.192 20 30 FEEDLO CCN(CC(C)(C)O)C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000330942459 554191795 /nfs/dbraw/zinc/19/17/95/554191795.db2.gz ZMRANJFRVMPGJW-GASCZTMLSA-N 1 2 364.490 2.202 20 30 FEEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1S(=O)(=O)c1cnc(C)c(C#N)c1 ZINC000331964539 554353685 /nfs/dbraw/zinc/35/36/85/554353685.db2.gz VNRSGPVSLSYNNZ-INIZCTEOSA-N 1 2 359.455 2.394 20 30 FEEDLO Cc1cccc(S(=O)(=O)N2CCN(c3c[nH+]ccc3C)CC2)c1C#N ZINC000332402193 554439757 /nfs/dbraw/zinc/43/97/57/554439757.db2.gz UKBXCLXDGIKQBU-UHFFFAOYSA-N 1 2 356.451 2.081 20 30 FEEDLO C[C@@H]1C[C@@H](NC(=O)N2CCN(c3cccc(F)c3C#N)CC2)c2[nH+]ccn21 ZINC000333190038 554586402 /nfs/dbraw/zinc/58/64/02/554586402.db2.gz NXZRUDHQRYDTLV-CZUORRHYSA-N 1 2 368.416 2.431 20 30 FEEDLO C=CCOC[C@H]1NC(=O)N([C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)C1=O ZINC000348581953 554689365 /nfs/dbraw/zinc/68/93/65/554689365.db2.gz QQOFKIWWEGEKQE-QZTJIDSGSA-N 1 2 368.437 2.364 20 30 FEEDLO CN(C)S(=O)(=O)[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000511058876 561855347 /nfs/dbraw/zinc/85/53/47/561855347.db2.gz IQEDKMKKIQRZFN-AWEZNQCLSA-N 1 2 373.425 2.015 20 30 FEEDLO CN(C)S(=O)(=O)[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000511058876 561855348 /nfs/dbraw/zinc/85/53/48/561855348.db2.gz IQEDKMKKIQRZFN-AWEZNQCLSA-N 1 2 373.425 2.015 20 30 FEEDLO CC[N@@H+]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)[C@H](C)C1 ZINC000511241444 561862487 /nfs/dbraw/zinc/86/24/87/561862487.db2.gz PFKXTUYUISAOFZ-LLVKDONJSA-N 1 2 361.389 2.292 20 30 FEEDLO CC[N@H+]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)[C@H](C)C1 ZINC000511241444 561862489 /nfs/dbraw/zinc/86/24/89/561862489.db2.gz PFKXTUYUISAOFZ-LLVKDONJSA-N 1 2 361.389 2.292 20 30 FEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(OC)cc1 ZINC000360829427 554891550 /nfs/dbraw/zinc/89/15/50/554891550.db2.gz NPVCMKSXCCDHQB-YJBOKZPZSA-N 1 2 372.469 2.106 20 30 FEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@H]1C(=O)Nc1ccc(OC)cc1 ZINC000360829427 554891551 /nfs/dbraw/zinc/89/15/51/554891551.db2.gz NPVCMKSXCCDHQB-YJBOKZPZSA-N 1 2 372.469 2.106 20 30 FEEDLO N#CCCN(CCC#N)C(=O)C[N@H+]1CC=C(c2ccc(Cl)nc2)CC1 ZINC000362639976 554977384 /nfs/dbraw/zinc/97/73/84/554977384.db2.gz NTXNWTCCVALVRY-UHFFFAOYSA-N 1 2 357.845 2.480 20 30 FEEDLO N#CCCN(CCC#N)C(=O)C[N@@H+]1CC=C(c2ccc(Cl)nc2)CC1 ZINC000362639976 554977387 /nfs/dbraw/zinc/97/73/87/554977387.db2.gz NTXNWTCCVALVRY-UHFFFAOYSA-N 1 2 357.845 2.480 20 30 FEEDLO N#CCOc1ccc(CC(=O)NC2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000362988861 555006112 /nfs/dbraw/zinc/00/61/12/555006112.db2.gz GOGYVXQPTBLATR-UHFFFAOYSA-N 1 2 350.422 2.312 20 30 FEEDLO N#Cc1ccc(CNC(=O)C[N@H+]2Cc3ccccc3[C@H](n3cccn3)C2)cc1 ZINC000363229726 555059439 /nfs/dbraw/zinc/05/94/39/555059439.db2.gz HWNNSMMVLHHFMR-OAQYLSRUSA-N 1 2 371.444 2.476 20 30 FEEDLO N#Cc1ccc(CNC(=O)C[N@@H+]2Cc3ccccc3[C@H](n3cccn3)C2)cc1 ZINC000363229726 555059442 /nfs/dbraw/zinc/05/94/42/555059442.db2.gz HWNNSMMVLHHFMR-OAQYLSRUSA-N 1 2 371.444 2.476 20 30 FEEDLO N#Cc1c(Cl)cccc1S(=O)(=O)N1CC[NH+]([C@H]2CCSC2)CC1 ZINC000364134815 555256685 /nfs/dbraw/zinc/25/66/85/555256685.db2.gz HUMYSFJYUJMLRX-LBPRGKRZSA-N 1 2 371.915 2.023 20 30 FEEDLO C=CC[C@@H](C(=O)N1CCC[N@@H+](CC(=O)NC(C)C)CC1)c1ccccc1 ZINC000364441084 555314965 /nfs/dbraw/zinc/31/49/65/555314965.db2.gz BPIPMIZHKRVDRN-LJQANCHMSA-N 1 2 357.498 2.405 20 30 FEEDLO C=CC[C@@H](C(=O)N1CCC[N@H+](CC(=O)NC(C)C)CC1)c1ccccc1 ZINC000364441084 555314967 /nfs/dbraw/zinc/31/49/67/555314967.db2.gz BPIPMIZHKRVDRN-LJQANCHMSA-N 1 2 357.498 2.405 20 30 FEEDLO Cc1noc([C@H]([NH2+][C@H](C)C(=O)Nc2cccc(C#N)c2)C2CCOCC2)n1 ZINC000364554173 555337025 /nfs/dbraw/zinc/33/70/25/555337025.db2.gz IKJGULZSFLRQFY-SJKOYZFVSA-N 1 2 369.425 2.334 20 30 FEEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1C[C@@H](CC)[S@@](=O)[C@@H](C)C1 ZINC000512438161 561904841 /nfs/dbraw/zinc/90/48/41/561904841.db2.gz APJMYLMBKHSUPD-MDXXILDGSA-N 1 2 351.512 2.386 20 30 FEEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1C[C@@H](CC)[S@@](=O)[C@@H](C)C1 ZINC000512438161 561904842 /nfs/dbraw/zinc/90/48/42/561904842.db2.gz APJMYLMBKHSUPD-MDXXILDGSA-N 1 2 351.512 2.386 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)N2CC[NH+]([C@H]3CCSC3)CC2)cc1Cl ZINC000364758138 555395535 /nfs/dbraw/zinc/39/55/35/555395535.db2.gz RGGSHAKHQAGHEZ-ZDUSSCGKSA-N 1 2 371.915 2.023 20 30 FEEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCC[C@]2(CNC(=O)O2)C1 ZINC000364794740 555405292 /nfs/dbraw/zinc/40/52/92/555405292.db2.gz WYBNFFCGYYOAHO-GTNSWQLSSA-N 1 2 362.817 2.113 20 30 FEEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCC[C@]2(CNC(=O)O2)C1 ZINC000364794740 555405294 /nfs/dbraw/zinc/40/52/94/555405294.db2.gz WYBNFFCGYYOAHO-GTNSWQLSSA-N 1 2 362.817 2.113 20 30 FEEDLO COc1ccccc1[C@H]1CN(C(=O)c2cc(C#N)cc(N(C)C)c2)CC[NH2+]1 ZINC000512723043 561913461 /nfs/dbraw/zinc/91/34/61/561913461.db2.gz NROMHLSDVNFILN-LJQANCHMSA-N 1 2 364.449 2.420 20 30 FEEDLO N#Cc1ccc(C[C@H](C#N)C(=O)NCc2ccc(-n3cc[nH+]c3)nc2)cc1 ZINC000365304453 555537119 /nfs/dbraw/zinc/53/71/19/555537119.db2.gz IACAKWWKHXIBQR-GOSISDBHSA-N 1 2 356.389 2.138 20 30 FEEDLO CC[N@H+](CC(=O)N1CCCCCC1)[C@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000513182555 561928276 /nfs/dbraw/zinc/92/82/76/561928276.db2.gz HCIGKZPQWFJXGG-VQIMIIECSA-N 1 2 350.507 2.154 20 30 FEEDLO CC[N@@H+](CC(=O)N1CCCCCC1)[C@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000513182555 561928277 /nfs/dbraw/zinc/92/82/77/561928277.db2.gz HCIGKZPQWFJXGG-VQIMIIECSA-N 1 2 350.507 2.154 20 30 FEEDLO CC(C)[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)CC(=O)N1CCCCCC1 ZINC000513263191 561931452 /nfs/dbraw/zinc/93/14/52/561931452.db2.gz XMJGONFKMVXMJR-IBGZPJMESA-N 1 2 350.507 2.154 20 30 FEEDLO CC(C)[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)CC(=O)N1CCCCCC1 ZINC000513263191 561931454 /nfs/dbraw/zinc/93/14/54/561931454.db2.gz XMJGONFKMVXMJR-IBGZPJMESA-N 1 2 350.507 2.154 20 30 FEEDLO CNc1cc(N2CCC[C@H]2CNC(=O)c2cccc(C#N)c2C)nc[nH+]1 ZINC000513832991 561951854 /nfs/dbraw/zinc/95/18/54/561951854.db2.gz UATPYCGUHBTIGG-HNNXBMFYSA-N 1 2 350.426 2.097 20 30 FEEDLO CNc1cc(N2CCC[C@H]2CNC(=O)c2cccc(C#N)c2C)[nH+]cn1 ZINC000513832991 561951855 /nfs/dbraw/zinc/95/18/55/561951855.db2.gz UATPYCGUHBTIGG-HNNXBMFYSA-N 1 2 350.426 2.097 20 30 FEEDLO C#CC[C@]1(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)CCCN1C(=O)OC(C)(C)C ZINC000367723674 556123491 /nfs/dbraw/zinc/12/34/91/556123491.db2.gz CSDHAKWZYNPAAL-JLTOFOAXSA-N 1 2 372.469 2.176 20 30 FEEDLO C#CC[C@]1(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)CCCN1C(=O)OC(C)(C)C ZINC000367723674 556123493 /nfs/dbraw/zinc/12/34/93/556123493.db2.gz CSDHAKWZYNPAAL-JLTOFOAXSA-N 1 2 372.469 2.176 20 30 FEEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2C(=O)N2CCSCC2)c([N+](=O)[O-])c1 ZINC000514865595 561984261 /nfs/dbraw/zinc/98/42/61/561984261.db2.gz YOZWFBVMEJVQOZ-OAHLLOKOSA-N 1 2 360.439 2.006 20 30 FEEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H]2C(=O)N2CCSCC2)c([N+](=O)[O-])c1 ZINC000514865595 561984262 /nfs/dbraw/zinc/98/42/62/561984262.db2.gz YOZWFBVMEJVQOZ-OAHLLOKOSA-N 1 2 360.439 2.006 20 30 FEEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000368169436 556235995 /nfs/dbraw/zinc/23/59/95/556235995.db2.gz YHAYSCXIRLGOQZ-LJQANCHMSA-N 1 2 354.454 2.119 20 30 FEEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000368169436 556235997 /nfs/dbraw/zinc/23/59/97/556235997.db2.gz YHAYSCXIRLGOQZ-LJQANCHMSA-N 1 2 354.454 2.119 20 30 FEEDLO CCN1C(=O)[C@H]2C[N@H+](CC#Cc3ccc(C(F)(F)F)cc3)CCN2C1=O ZINC000369453125 556603967 /nfs/dbraw/zinc/60/39/67/556603967.db2.gz SKRLGIRXYKHSOC-OAHLLOKOSA-N 1 2 365.355 2.025 20 30 FEEDLO CCN1C(=O)[C@H]2C[N@@H+](CC#Cc3ccc(C(F)(F)F)cc3)CCN2C1=O ZINC000369453125 556603968 /nfs/dbraw/zinc/60/39/68/556603968.db2.gz SKRLGIRXYKHSOC-OAHLLOKOSA-N 1 2 365.355 2.025 20 30 FEEDLO Cn1cc[nH+]c1CNC(=O)NCC1CCN(c2ccccc2C#N)CC1 ZINC000369863875 556716138 /nfs/dbraw/zinc/71/61/38/556716138.db2.gz SXBCQULGMLDXLI-UHFFFAOYSA-N 1 2 352.442 2.008 20 30 FEEDLO Cc1cc(NC(=O)c2ccc(-n3cc[nH+]c3)nc2)nn1-c1cccc(C#N)c1 ZINC000369975731 556746318 /nfs/dbraw/zinc/74/63/18/556746318.db2.gz UIJADYCTQIHGQJ-UHFFFAOYSA-N 1 2 369.388 2.885 20 30 FEEDLO C[C@H](C(=O)Nc1ccc(F)cc1F)[NH+]1CCC(n2cnc(C#N)n2)CC1 ZINC000370121898 556786557 /nfs/dbraw/zinc/78/65/57/556786557.db2.gz MBESEUAFCZXXKK-LLVKDONJSA-N 1 2 360.368 2.092 20 30 FEEDLO CC(C)(C)CC(=O)N1CC[C@H]2C[N@H+](CC(=O)Nc3cccc(C#N)c3)C[C@H]21 ZINC000370796000 556970953 /nfs/dbraw/zinc/97/09/53/556970953.db2.gz OKKQMRNIMBEEJT-FUHWJXTLSA-N 1 2 368.481 2.466 20 30 FEEDLO CC(C)(C)CC(=O)N1CC[C@H]2C[N@@H+](CC(=O)Nc3cccc(C#N)c3)C[C@H]21 ZINC000370796000 556970955 /nfs/dbraw/zinc/97/09/55/556970955.db2.gz OKKQMRNIMBEEJT-FUHWJXTLSA-N 1 2 368.481 2.466 20 30 FEEDLO C=CCN(Cc1ccccc1)C(=O)NC[C@@]1([NH+]2CCOCC2)CCCOC1 ZINC000371165407 557094760 /nfs/dbraw/zinc/09/47/60/557094760.db2.gz MOSGUPWGCRYTAT-NRFANRHFSA-N 1 2 373.497 2.266 20 30 FEEDLO C[C@H](NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000371334367 557150009 /nfs/dbraw/zinc/15/00/09/557150009.db2.gz FIXZAYPNOZLDIW-IRXDYDNUSA-N 1 2 368.481 2.466 20 30 FEEDLO Cn1cc[nH+]c1[C@H](NS(=O)(=O)CCCC#N)c1ccc(Cl)cc1 ZINC000517713780 562096034 /nfs/dbraw/zinc/09/60/34/562096034.db2.gz VAFCMOGJJUBEIP-CQSZACIVSA-N 1 2 352.847 2.386 20 30 FEEDLO Cc1c(C#N)cccc1NC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000372101644 557380328 /nfs/dbraw/zinc/38/03/28/557380328.db2.gz KMUPTUJHYCZZLR-UHFFFAOYSA-N 1 2 354.414 2.039 20 30 FEEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)C(=O)Nc1cc(C#N)ccc1C)CCC2 ZINC000372224359 557414258 /nfs/dbraw/zinc/41/42/58/557414258.db2.gz RGADWHJGEWJAFL-OAHLLOKOSA-N 1 2 351.410 2.004 20 30 FEEDLO N#C[C@@H]1C[N@@H+](C[C@H](O)c2cc(F)ccc2F)C[C@@]12C(=O)Nc1ccccc12 ZINC000372229525 557416190 /nfs/dbraw/zinc/41/61/90/557416190.db2.gz WLEULBIDCCLPDV-CCMJGWDWSA-N 1 2 369.371 2.344 20 30 FEEDLO N#C[C@@H]1C[N@H+](C[C@H](O)c2cc(F)ccc2F)C[C@@]12C(=O)Nc1ccccc12 ZINC000372229525 557416194 /nfs/dbraw/zinc/41/61/94/557416194.db2.gz WLEULBIDCCLPDV-CCMJGWDWSA-N 1 2 369.371 2.344 20 30 FEEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372272026 557426686 /nfs/dbraw/zinc/42/66/86/557426686.db2.gz FTTQPSJRSJEZQB-LBPRGKRZSA-N 1 2 360.399 2.000 20 30 FEEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372272026 557426688 /nfs/dbraw/zinc/42/66/88/557426688.db2.gz FTTQPSJRSJEZQB-LBPRGKRZSA-N 1 2 360.399 2.000 20 30 FEEDLO N#Cc1ncn(C2CC[NH+](Cc3noc(-c4ccc(F)cc4F)n3)CC2)n1 ZINC000373400894 557687318 /nfs/dbraw/zinc/68/73/18/557687318.db2.gz SMMXPSSZNXTEHJ-UHFFFAOYSA-N 1 2 371.351 2.315 20 30 FEEDLO CC(=O)c1ccc(NC(=O)[C@H](C)[NH+]2CCC(n3cnc(C#N)n3)CC2)cc1 ZINC000373412828 557689015 /nfs/dbraw/zinc/68/90/15/557689015.db2.gz OBMPYVMCOGFKNR-ZDUSSCGKSA-N 1 2 366.425 2.016 20 30 FEEDLO C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000374325011 557865893 /nfs/dbraw/zinc/86/58/93/557865893.db2.gz CJMOTIVHZMMZOW-QGZVFWFLSA-N 1 2 368.824 2.453 20 30 FEEDLO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000374325011 557865894 /nfs/dbraw/zinc/86/58/94/557865894.db2.gz CJMOTIVHZMMZOW-QGZVFWFLSA-N 1 2 368.824 2.453 20 30 FEEDLO Cc1cn2c([nH+]1)CN(C(=O)CCC(=O)N(CCC#N)c1ccccc1)CC2 ZINC000374644303 557911246 /nfs/dbraw/zinc/91/12/46/557911246.db2.gz HAWZXSODEUZTFY-UHFFFAOYSA-N 1 2 365.437 2.261 20 30 FEEDLO C#Cc1cc(F)c(NC(=O)C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)c(F)c1 ZINC000375000366 557962235 /nfs/dbraw/zinc/96/22/35/557962235.db2.gz IYWJSOOZUAFPJC-QGZVFWFLSA-N 1 2 369.371 2.188 20 30 FEEDLO C#Cc1cc(F)c(NC(=O)C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)c(F)c1 ZINC000375000366 557962236 /nfs/dbraw/zinc/96/22/36/557962236.db2.gz IYWJSOOZUAFPJC-QGZVFWFLSA-N 1 2 369.371 2.188 20 30 FEEDLO C=CCCCCNC(=O)N1CCNC(=O)[C@H]1c1c(C)[nH+]c2ccccn21 ZINC000375217862 557993562 /nfs/dbraw/zinc/99/35/62/557993562.db2.gz KIWAQLBFSUHXHK-QGZVFWFLSA-N 1 2 355.442 2.182 20 30 FEEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000521491842 562177616 /nfs/dbraw/zinc/17/76/16/562177616.db2.gz WXNRGJXFQNRMLH-OAHLLOKOSA-N 1 2 369.421 2.181 20 30 FEEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000521491842 562177617 /nfs/dbraw/zinc/17/76/17/562177617.db2.gz WXNRGJXFQNRMLH-OAHLLOKOSA-N 1 2 369.421 2.181 20 30 FEEDLO C=CCCCS(=O)(=O)N[C@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000521522409 562177959 /nfs/dbraw/zinc/17/79/59/562177959.db2.gz KVHRTKZTICCMMO-AEFFLSMTSA-N 1 2 352.500 2.162 20 30 FEEDLO C=CCCCS(=O)(=O)N[C@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000521522409 562177960 /nfs/dbraw/zinc/17/79/60/562177960.db2.gz KVHRTKZTICCMMO-AEFFLSMTSA-N 1 2 352.500 2.162 20 30 FEEDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)C1 ZINC000375719194 558072518 /nfs/dbraw/zinc/07/25/18/558072518.db2.gz NTWNJZIXMNPSPR-GFCCVEGCSA-N 1 2 371.828 2.290 20 30 FEEDLO CN(C)c1[nH+]cccc1CNC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000375944158 558103514 /nfs/dbraw/zinc/10/35/14/558103514.db2.gz DTCJNMDGRCUFDR-MRXNPFEDSA-N 1 2 367.428 2.301 20 30 FEEDLO CC[C@H]1C[N@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@]2(CCOC2)O1 ZINC000376009331 558113423 /nfs/dbraw/zinc/11/34/23/558113423.db2.gz WTQKATGOWKGFFP-YJBOKZPZSA-N 1 2 363.845 2.420 20 30 FEEDLO CC[C@H]1C[N@@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@]2(CCOC2)O1 ZINC000376009331 558113425 /nfs/dbraw/zinc/11/34/25/558113425.db2.gz WTQKATGOWKGFFP-YJBOKZPZSA-N 1 2 363.845 2.420 20 30 FEEDLO CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1ccnn1C)c1ccc([N+](=O)[O-])c(C#N)c1 ZINC000377143392 558275167 /nfs/dbraw/zinc/27/51/67/558275167.db2.gz UTUVQSNMHJPYDE-YOEHRIQHSA-N 1 2 372.404 2.249 20 30 FEEDLO CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1ccnn1C)c1ccc([N+](=O)[O-])c(C#N)c1 ZINC000377143392 558275170 /nfs/dbraw/zinc/27/51/70/558275170.db2.gz UTUVQSNMHJPYDE-YOEHRIQHSA-N 1 2 372.404 2.249 20 30 FEEDLO Cn1cc[nH+]c1C[C@H]1CCCN(S(=O)(=O)Cc2ccc(C#N)cc2)C1 ZINC000377341685 558319882 /nfs/dbraw/zinc/31/98/82/558319882.db2.gz FKNQEIZUUNMHBC-QGZVFWFLSA-N 1 2 358.467 2.076 20 30 FEEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CC[C@H](n3cc(Cl)cn3)C2)c1 ZINC000377770143 558416678 /nfs/dbraw/zinc/41/66/78/558416678.db2.gz BVYJATMGUBNYMH-HNNXBMFYSA-N 1 2 364.858 2.129 20 30 FEEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CC[C@H](n3cc(Cl)cn3)C2)c1 ZINC000377770143 558416679 /nfs/dbraw/zinc/41/66/79/558416679.db2.gz BVYJATMGUBNYMH-HNNXBMFYSA-N 1 2 364.858 2.129 20 30 FEEDLO N#CCCSc1ccccc1NC(=O)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000377956862 558451821 /nfs/dbraw/zinc/45/18/21/558451821.db2.gz CKKFQHZCHMGJCC-LBPRGKRZSA-N 1 2 369.450 2.028 20 30 FEEDLO N#CCCSc1ccccc1NC(=O)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000377956862 558451823 /nfs/dbraw/zinc/45/18/23/558451823.db2.gz CKKFQHZCHMGJCC-LBPRGKRZSA-N 1 2 369.450 2.028 20 30 FEEDLO N#Cc1ccc2[nH+]cc(CN3C[C@H](C#N)[C@]4(C3)C(=O)Nc3ccccc34)n2c1 ZINC000378372933 558543112 /nfs/dbraw/zinc/54/31/12/558543112.db2.gz SGULWHMHZANUAB-BTYIYWSLSA-N 1 2 368.400 2.051 20 30 FEEDLO COCC[NH+]1CCN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)CC1 ZINC000523664655 562217161 /nfs/dbraw/zinc/21/71/61/562217161.db2.gz OYRYTIRVVXVBDC-UHFFFAOYSA-N 1 2 369.421 2.134 20 30 FEEDLO Cc1c(Cl)cnc(NC[C@@]2([NH+]3CCOCC3)CCCOC2)c1C#N ZINC000378654000 558601433 /nfs/dbraw/zinc/60/14/33/558601433.db2.gz UVWGRTFOABTBIF-KRWDZBQOSA-N 1 2 350.850 2.208 20 30 FEEDLO C[C@@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000408080080 558644422 /nfs/dbraw/zinc/64/44/22/558644422.db2.gz BCDAJOPZSXXLEQ-WDEREUQCSA-N 1 2 361.389 2.290 20 30 FEEDLO C[C@@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000408080080 558644424 /nfs/dbraw/zinc/64/44/24/558644424.db2.gz BCDAJOPZSXXLEQ-WDEREUQCSA-N 1 2 361.389 2.290 20 30 FEEDLO C[C@@H]1[C@@H](C)[N@H+](C)CCN1S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000408084464 558644708 /nfs/dbraw/zinc/64/47/08/558644708.db2.gz QFFIJXQAAYPZJU-GHMZBOCLSA-N 1 2 361.389 2.290 20 30 FEEDLO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000408084464 558644711 /nfs/dbraw/zinc/64/47/11/558644711.db2.gz QFFIJXQAAYPZJU-GHMZBOCLSA-N 1 2 361.389 2.290 20 30 FEEDLO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1S(=O)(=O)c1cccc(Cl)c1C#N ZINC000408182548 558654465 /nfs/dbraw/zinc/65/44/65/558654465.db2.gz LAFRNOHODDCDLZ-CHWSQXEVSA-N 1 2 353.875 2.459 20 30 FEEDLO C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1S(=O)(=O)c1cccc(Cl)c1C#N ZINC000408182548 558654469 /nfs/dbraw/zinc/65/44/69/558654469.db2.gz LAFRNOHODDCDLZ-CHWSQXEVSA-N 1 2 353.875 2.459 20 30 FEEDLO CCN(C[C@@H](C)C#N)S(=O)(=O)NCCCn1c(C)[nH+]c2ccccc21 ZINC000409554810 558703053 /nfs/dbraw/zinc/70/30/53/558703053.db2.gz LZJMODBBQZKBPG-AWEZNQCLSA-N 1 2 363.487 2.051 20 30 FEEDLO C=CCN1CC[C@H]([NH+]2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)C1=O ZINC000410298981 558750427 /nfs/dbraw/zinc/75/04/27/558750427.db2.gz IBJFXRPSBXRXAJ-ONUXSRJRSA-N 1 2 371.525 2.134 20 30 FEEDLO C=C[C@H]1CCCCN1C(=O)C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000411471512 558900746 /nfs/dbraw/zinc/90/07/46/558900746.db2.gz FXXIENHYOLDNED-INIZCTEOSA-N 1 2 368.437 2.468 20 30 FEEDLO C[C@@H]1CN(C(=O)C(=O)Nc2sccc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000411817543 558969096 /nfs/dbraw/zinc/96/90/96/558969096.db2.gz GYLUVLGWOORVGA-CQSZACIVSA-N 1 2 368.462 2.291 20 30 FEEDLO C[C@@H]1CN(C(=O)C(=O)Nc2sccc2C#N)CC[N@H+]1Cc1ccccc1 ZINC000411817543 558969097 /nfs/dbraw/zinc/96/90/97/558969097.db2.gz GYLUVLGWOORVGA-CQSZACIVSA-N 1 2 368.462 2.291 20 30 FEEDLO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000411820119 558969653 /nfs/dbraw/zinc/96/96/53/558969653.db2.gz MZLAWTYTLBCCPZ-MRXNPFEDSA-N 1 2 362.433 2.230 20 30 FEEDLO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000411820119 558969655 /nfs/dbraw/zinc/96/96/55/558969655.db2.gz MZLAWTYTLBCCPZ-MRXNPFEDSA-N 1 2 362.433 2.230 20 30 FEEDLO Cc1nn(C)c(N2CC[NH+](Cc3c[nH]nc3-c3cccs3)CC2)c1C#N ZINC000526074208 562266139 /nfs/dbraw/zinc/26/61/39/562266139.db2.gz LHWWPQSDMTXUPQ-UHFFFAOYSA-N 1 2 367.482 2.374 20 30 FEEDLO C=C(C)CN(Cc1ccc(CO)o1)c1cc(N2CC[C@@H]([C@@H](C)O)C2)[nH+]cn1 ZINC000413277420 559094966 /nfs/dbraw/zinc/09/49/66/559094966.db2.gz DUSZPTSAUIWQSN-HZPDHXFCSA-N 1 2 372.469 2.352 20 30 FEEDLO C=C(C)CN(Cc1ccc(CO)o1)c1cc(N2CC[C@@H]([C@@H](C)O)C2)nc[nH+]1 ZINC000413277420 559094968 /nfs/dbraw/zinc/09/49/68/559094968.db2.gz DUSZPTSAUIWQSN-HZPDHXFCSA-N 1 2 372.469 2.352 20 30 FEEDLO C[N@H+](CCC#N)C[C@H](O)CSc1nncn1-c1cccc(Cl)c1 ZINC000414096047 559149043 /nfs/dbraw/zinc/14/90/43/559149043.db2.gz KWDQNOHWMLXHRF-AWEZNQCLSA-N 1 2 351.863 2.219 20 30 FEEDLO C[N@@H+](CCC#N)C[C@H](O)CSc1nncn1-c1cccc(Cl)c1 ZINC000414096047 559149044 /nfs/dbraw/zinc/14/90/44/559149044.db2.gz KWDQNOHWMLXHRF-AWEZNQCLSA-N 1 2 351.863 2.219 20 30 FEEDLO Cc1cc(OC[C@H](O)C[N@H+](C)CCC#N)ccc1I ZINC000414130390 559150318 /nfs/dbraw/zinc/15/03/18/559150318.db2.gz WUEOJADFPZLDIH-GFCCVEGCSA-N 1 2 374.222 2.185 20 30 FEEDLO Cc1cc(OC[C@H](O)C[N@@H+](C)CCC#N)ccc1I ZINC000414130390 559150319 /nfs/dbraw/zinc/15/03/19/559150319.db2.gz WUEOJADFPZLDIH-GFCCVEGCSA-N 1 2 374.222 2.185 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cccc2c1OC(F)(F)O2 ZINC000414372309 559159232 /nfs/dbraw/zinc/15/92/32/559159232.db2.gz ZQOIIBUEOYVDTF-UHFFFAOYSA-N 1 2 353.369 2.056 20 30 FEEDLO Cc1[nH+]c2cc(CNS(=O)(=O)N(C)[C@H](C)CC#N)ccc2n1C1CC1 ZINC000416480035 559316307 /nfs/dbraw/zinc/31/63/07/559316307.db2.gz ODWWANXBXYNEHU-GFCCVEGCSA-N 1 2 361.471 2.248 20 30 FEEDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000419628004 559450512 /nfs/dbraw/zinc/45/05/12/559450512.db2.gz YRMGGFMJZYNCFT-HNAYVOBHSA-N 1 2 356.470 2.298 20 30 FEEDLO N#Cc1cncc(N2CC[NH+](Cc3ccc(Br)s3)CC2)n1 ZINC000420578565 559492586 /nfs/dbraw/zinc/49/25/86/559492586.db2.gz CWBMRVKPIGQUAD-UHFFFAOYSA-N 1 2 364.272 2.494 20 30 FEEDLO CC(=O)N[C@@H]1CC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)C1 ZINC000420992546 559518330 /nfs/dbraw/zinc/51/83/30/559518330.db2.gz YFGNPOUJUJCRIR-MRXNPFEDSA-N 1 2 371.485 2.241 20 30 FEEDLO CC(=O)N[C@@H]1CC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)C1 ZINC000420992546 559518331 /nfs/dbraw/zinc/51/83/31/559518331.db2.gz YFGNPOUJUJCRIR-MRXNPFEDSA-N 1 2 371.485 2.241 20 30 FEEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+](C)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000527298317 562284356 /nfs/dbraw/zinc/28/43/56/562284356.db2.gz ASOVSZGKWMNKMK-DOTOQJQBSA-N 1 2 354.454 2.065 20 30 FEEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000527298317 562284357 /nfs/dbraw/zinc/28/43/57/562284357.db2.gz ASOVSZGKWMNKMK-DOTOQJQBSA-N 1 2 354.454 2.065 20 30 FEEDLO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1cnn([C@]2(C)CCS(=O)(=O)C2)c1 ZINC000425368098 559698263 /nfs/dbraw/zinc/69/82/63/559698263.db2.gz VSNBVTSZXIAGHV-HNAYVOBHSA-N 1 2 372.494 2.481 20 30 FEEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cnn([C@]2(C)CCS(=O)(=O)C2)c1 ZINC000425368098 559698264 /nfs/dbraw/zinc/69/82/64/559698264.db2.gz VSNBVTSZXIAGHV-HNAYVOBHSA-N 1 2 372.494 2.481 20 30 FEEDLO COC(=O)c1cnc([C@H](C)[NH2+]CC(=O)Nc2sccc2C#N)s1 ZINC000425488248 559705263 /nfs/dbraw/zinc/70/52/63/559705263.db2.gz MMAJORAYVNOBKU-QMMMGPOBSA-N 1 2 350.425 2.152 20 30 FEEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000425556079 559709669 /nfs/dbraw/zinc/70/96/69/559709669.db2.gz ZKYIWYYOTJNSHL-ZIAGYGMSSA-N 1 2 370.482 2.484 20 30 FEEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000425556079 559709670 /nfs/dbraw/zinc/70/96/70/559709670.db2.gz ZKYIWYYOTJNSHL-ZIAGYGMSSA-N 1 2 370.482 2.484 20 30 FEEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](CC(=O)NCc3cccc(Cl)c3)C2)nc1 ZINC000428812537 559783843 /nfs/dbraw/zinc/78/38/43/559783843.db2.gz NBSFZEYMEFYNGH-QGZVFWFLSA-N 1 2 370.840 2.376 20 30 FEEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](CC(=O)NCc3cccc(Cl)c3)C2)nc1 ZINC000428812537 559783844 /nfs/dbraw/zinc/78/38/44/559783844.db2.gz NBSFZEYMEFYNGH-QGZVFWFLSA-N 1 2 370.840 2.376 20 30 FEEDLO C[C@H]1CN(c2cccc(F)c2)CC[N@@H+]1[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000429228712 559793370 /nfs/dbraw/zinc/79/33/70/559793370.db2.gz AULJXTZFVOTZIF-IFXJQAMLSA-N 1 2 352.413 2.434 20 30 FEEDLO C[C@H]1CN(c2cccc(F)c2)CC[N@H+]1[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000429228712 559793371 /nfs/dbraw/zinc/79/33/71/559793371.db2.gz AULJXTZFVOTZIF-IFXJQAMLSA-N 1 2 352.413 2.434 20 30 FEEDLO N#Cc1cscc1C(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000432047114 559850870 /nfs/dbraw/zinc/85/08/70/559850870.db2.gz GMARHPHYEKAQSL-UHFFFAOYSA-N 1 2 351.435 2.225 20 30 FEEDLO C=CCNC(=O)C[NH+]1CCN(c2cc(C(C)(C)C)nc(C(C)(C)C)n2)CC1 ZINC000432124009 559852417 /nfs/dbraw/zinc/85/24/17/559852417.db2.gz XIJCUEKCONHABF-UHFFFAOYSA-N 1 2 373.545 2.496 20 30 FEEDLO CCN(C[C@@H](C)C#N)S(=O)(=O)N(C)[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000432279278 559855407 /nfs/dbraw/zinc/85/54/07/559855407.db2.gz CQYBMBUHXVIWDE-GOEBONIOSA-N 1 2 361.471 2.157 20 30 FEEDLO CN([C@H](c1[nH]cc[nH+]1)c1ccccc1)S(=O)(=O)c1cncc(C#N)c1 ZINC000432301657 559855843 /nfs/dbraw/zinc/85/58/43/559855843.db2.gz KERGSZBGOIBBIW-INIZCTEOSA-N 1 2 353.407 2.086 20 30 FEEDLO C[C@@H](C(=O)NCC(=O)Nc1ccc(F)c(F)c1F)[N@H+](C)CC(C)(C)C#N ZINC000433298388 559876118 /nfs/dbraw/zinc/87/61/18/559876118.db2.gz OLAZXSSEQIYXTM-JTQLQIEISA-N 1 2 370.375 2.029 20 30 FEEDLO C[C@@H](C(=O)NCC(=O)Nc1ccc(F)c(F)c1F)[N@@H+](C)CC(C)(C)C#N ZINC000433298388 559876119 /nfs/dbraw/zinc/87/61/19/559876119.db2.gz OLAZXSSEQIYXTM-JTQLQIEISA-N 1 2 370.375 2.029 20 30 FEEDLO C=CCNC(=O)c1cccc(S(=O)(=O)Nc2ccc3c(c2)[nH+]cn3C)c1 ZINC000435196058 559917858 /nfs/dbraw/zinc/91/78/58/559917858.db2.gz BLORYEJGWQMGQB-UHFFFAOYSA-N 1 2 370.434 2.290 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)NCc2cccc(Cn3cc[nH+]c3)c2)s1 ZINC000435427934 559922705 /nfs/dbraw/zinc/92/27/05/559922705.db2.gz PMLQZLAUQVRYAK-UHFFFAOYSA-N 1 2 358.448 2.343 20 30 FEEDLO N#Cc1cc(F)ccc1NC(=O)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000435627599 559926869 /nfs/dbraw/zinc/92/68/69/559926869.db2.gz NEPACWYNIOPKPU-UHFFFAOYSA-N 1 2 363.352 2.138 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccc(C#N)cc1OC(F)F ZINC000437909499 559971398 /nfs/dbraw/zinc/97/13/98/559971398.db2.gz LYRBEVYKXSMZFY-UHFFFAOYSA-N 1 2 364.396 2.208 20 30 FEEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000438017615 559973122 /nfs/dbraw/zinc/97/31/22/559973122.db2.gz XPSMDSCVYUNMDV-VQIMIIECSA-N 1 2 354.454 2.927 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000438201890 559975547 /nfs/dbraw/zinc/97/55/47/559975547.db2.gz NCKGQQWISUBQET-ZCNNSNEGSA-N 1 2 373.497 2.168 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000438201890 559975548 /nfs/dbraw/zinc/97/55/48/559975548.db2.gz NCKGQQWISUBQET-ZCNNSNEGSA-N 1 2 373.497 2.168 20 30 FEEDLO CCCS(=O)(=O)NC1CC[NH+](CC#Cc2ccccc2Cl)CC1 ZINC000441137249 560025067 /nfs/dbraw/zinc/02/50/67/560025067.db2.gz BULOCSRXEXLGNO-UHFFFAOYSA-N 1 2 354.903 2.485 20 30 FEEDLO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(Cl)cc1C#N)c1ccco1 ZINC000443106668 560070953 /nfs/dbraw/zinc/07/09/53/560070953.db2.gz WOQKEMJZIWRXOA-ZDUSSCGKSA-N 1 2 353.831 2.386 20 30 FEEDLO N#Cc1nc(NCc2cc[nH+]c(N3CCOCC3)c2)ccc1C(F)(F)F ZINC000443523576 560086301 /nfs/dbraw/zinc/08/63/01/560086301.db2.gz QACAGBAXBORNKZ-UHFFFAOYSA-N 1 2 363.343 2.816 20 30 FEEDLO N#Cc1ccc(Cl)c(NC(=O)C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)c1 ZINC000447225604 560158200 /nfs/dbraw/zinc/15/82/00/560158200.db2.gz DZPMQMYKFLEIOL-UHFFFAOYSA-N 1 2 357.801 2.279 20 30 FEEDLO N#Cc1ccc(Cl)c(NC(=O)C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000447225604 560158201 /nfs/dbraw/zinc/15/82/01/560158201.db2.gz DZPMQMYKFLEIOL-UHFFFAOYSA-N 1 2 357.801 2.279 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(Cc1ccccc1)[C@@H](C)C[NH+]1CCOCC1 ZINC000448897065 560205462 /nfs/dbraw/zinc/20/54/62/560205462.db2.gz GKDFXBWIIZFKEY-SXLOBPIMSA-N 1 2 358.482 2.327 20 30 FEEDLO CN(C)c1ncccc1O[C@@H]1CC[N@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000451031204 560283475 /nfs/dbraw/zinc/28/34/75/560283475.db2.gz VUXHBKOVFSPPOA-QGZVFWFLSA-N 1 2 365.437 2.111 20 30 FEEDLO CN(C)c1ncccc1O[C@@H]1CC[N@@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000451031204 560283476 /nfs/dbraw/zinc/28/34/76/560283476.db2.gz VUXHBKOVFSPPOA-QGZVFWFLSA-N 1 2 365.437 2.111 20 30 FEEDLO N#Cc1cc(F)ccc1CS(=O)(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000451061157 560285232 /nfs/dbraw/zinc/28/52/32/560285232.db2.gz XLOFYBNENGYGDX-UHFFFAOYSA-N 1 2 374.441 2.181 20 30 FEEDLO CN(C(=O)C[N@@H+]1C[C@@H](c2ccccc2)[C@@](F)(CO)C1)C1(C#N)CCCCC1 ZINC000451272305 560297434 /nfs/dbraw/zinc/29/74/34/560297434.db2.gz VUMZSKPJXJSEQC-RXVVDRJESA-N 1 2 373.472 2.471 20 30 FEEDLO CN(C(=O)C[N@H+]1C[C@@H](c2ccccc2)[C@@](F)(CO)C1)C1(C#N)CCCCC1 ZINC000451272305 560297435 /nfs/dbraw/zinc/29/74/35/560297435.db2.gz VUMZSKPJXJSEQC-RXVVDRJESA-N 1 2 373.472 2.471 20 30 FEEDLO CN(C(=O)C[N@@H+]1C[C@H](c2ccccc2)[C@](F)(CO)C1)C1(C#N)CCCCC1 ZINC000451272306 560297547 /nfs/dbraw/zinc/29/75/47/560297547.db2.gz VUMZSKPJXJSEQC-WIYYLYMNSA-N 1 2 373.472 2.471 20 30 FEEDLO CN(C(=O)C[N@H+]1C[C@H](c2ccccc2)[C@](F)(CO)C1)C1(C#N)CCCCC1 ZINC000451272306 560297548 /nfs/dbraw/zinc/29/75/48/560297548.db2.gz VUMZSKPJXJSEQC-WIYYLYMNSA-N 1 2 373.472 2.471 20 30 FEEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CC[C@](O)(C(F)F)C1 ZINC000451430258 560306542 /nfs/dbraw/zinc/30/65/42/560306542.db2.gz MDLLRPMLTNCJAB-SCLBCKFNSA-N 1 2 367.396 2.032 20 30 FEEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1CC[C@](O)(C(F)F)C1 ZINC000451430258 560306543 /nfs/dbraw/zinc/30/65/43/560306543.db2.gz MDLLRPMLTNCJAB-SCLBCKFNSA-N 1 2 367.396 2.032 20 30 FEEDLO COc1ccc(C#N)cc1C[N@H+](CCN1CCOCC1)Cc1ccco1 ZINC000452052273 560348223 /nfs/dbraw/zinc/34/82/23/560348223.db2.gz VFSNPOTUIQVYNR-UHFFFAOYSA-N 1 2 355.438 2.494 20 30 FEEDLO COc1ccc(C#N)cc1C[N@@H+](CCN1CCOCC1)Cc1ccco1 ZINC000452052273 560348224 /nfs/dbraw/zinc/34/82/24/560348224.db2.gz VFSNPOTUIQVYNR-UHFFFAOYSA-N 1 2 355.438 2.494 20 30 FEEDLO Cn1cc[nH+]c1CN1CCN(C(=O)C(C)(C)Cc2ccc(C#N)cc2)CC1 ZINC000455489541 560484273 /nfs/dbraw/zinc/48/42/73/560484273.db2.gz OVFJGULURLJKFA-UHFFFAOYSA-N 1 2 365.481 2.205 20 30 FEEDLO CC(C)(Cc1ccc(C#N)cc1)C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000455642017 560490303 /nfs/dbraw/zinc/49/03/03/560490303.db2.gz AUFGWPHMZMXHEW-UHFFFAOYSA-N 1 2 351.454 2.194 20 30 FEEDLO N#Cc1ncc(NC(=O)N2CC[NH+](Cc3cccnc3)CC2)cc1Cl ZINC000455750008 560493846 /nfs/dbraw/zinc/49/38/46/560493846.db2.gz GMQKIJBSSYMSGI-UHFFFAOYSA-N 1 2 356.817 2.351 20 30 FEEDLO N#Cc1cccc(CNC(=O)N(CC[NH+]2CCOCC2)Cc2ccco2)c1 ZINC000457652938 560580061 /nfs/dbraw/zinc/58/00/61/560580061.db2.gz BAJQRYGFODMYPM-UHFFFAOYSA-N 1 2 368.437 2.195 20 30 FEEDLO CC(C)(CC#N)CNC(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000459229637 560675209 /nfs/dbraw/zinc/67/52/09/560675209.db2.gz IKCFXZFTXFGLHH-UHFFFAOYSA-N 1 2 354.458 2.101 20 30 FEEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000459375252 560683210 /nfs/dbraw/zinc/68/32/10/560683210.db2.gz YPXNWNRYAWOPGU-YOEHRIQHSA-N 1 2 354.410 2.442 20 30 FEEDLO COc1ccc(C[NH+]2CCN(C(=O)N[C@H]3CCC[C@H]3C#N)CC2)cc1F ZINC000461963184 560789824 /nfs/dbraw/zinc/78/98/24/560789824.db2.gz YVDIPFXBIQFKLG-RDJZCZTQSA-N 1 2 360.433 2.354 20 30 FEEDLO CCN1CCN(C(=O)N[C@H](C)c2ccc(C#N)cc2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000474236854 561069031 /nfs/dbraw/zinc/06/90/31/561069031.db2.gz YHBCLMQYPYRVMO-RHSMWYFYSA-N 1 2 352.442 2.431 20 30 FEEDLO COc1cc(OC)cc([C@@H](NC(=O)NCC(C)(C)C#N)c2[nH+]ccn2C)c1 ZINC000476715936 561126812 /nfs/dbraw/zinc/12/68/12/561126812.db2.gz WLTBJTPREAZGHI-MRXNPFEDSA-N 1 2 371.441 2.376 20 30 FEEDLO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000528283417 562320611 /nfs/dbraw/zinc/32/06/11/562320611.db2.gz OCKKHGZAGYJKDI-YYAJDYIMSA-N 1 2 356.470 2.197 20 30 FEEDLO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCNC(=O)[C@H]1CC1CCCCC1 ZINC000528526003 562334070 /nfs/dbraw/zinc/33/40/70/562334070.db2.gz HTLDENPJJXCNPK-RTBURBONSA-N 1 2 371.481 2.069 20 30 FEEDLO N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCNC(=O)[C@H]1CC1CCCCC1 ZINC000528526003 562334071 /nfs/dbraw/zinc/33/40/71/562334071.db2.gz HTLDENPJJXCNPK-RTBURBONSA-N 1 2 371.481 2.069 20 30 FEEDLO COCc1ccc(NC(=O)N[C@@H]2CCO[C@H](c3c[nH+]cn3C)C2)cc1C#N ZINC000529210802 562365044 /nfs/dbraw/zinc/36/50/44/562365044.db2.gz IIEXDWNAQASCGV-AEFFLSMTSA-N 1 2 369.425 2.480 20 30 FEEDLO C=CCc1cc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)S3(=O)=O)cc(OC)c1O ZINC000529674534 562380779 /nfs/dbraw/zinc/38/07/79/562380779.db2.gz OZKBBPVBOBXOLW-CVEARBPZSA-N 1 2 351.468 2.281 20 30 FEEDLO C=CCc1cc(C[N@H+]2CC[C@H]3CC[C@@H](C2)S3(=O)=O)cc(OC)c1O ZINC000529674534 562380780 /nfs/dbraw/zinc/38/07/80/562380780.db2.gz OZKBBPVBOBXOLW-CVEARBPZSA-N 1 2 351.468 2.281 20 30 FEEDLO COc1cccc2c1CN(C[N@@H+]1CC[C@H](Oc3ccc(C#N)cn3)C1)C2=O ZINC000530095514 562397993 /nfs/dbraw/zinc/39/79/93/562397993.db2.gz NTAODCFCPFYULU-HNNXBMFYSA-N 1 2 364.405 2.028 20 30 FEEDLO COc1cccc2c1CN(C[N@H+]1CC[C@H](Oc3ccc(C#N)cn3)C1)C2=O ZINC000530095514 562397994 /nfs/dbraw/zinc/39/79/94/562397994.db2.gz NTAODCFCPFYULU-HNNXBMFYSA-N 1 2 364.405 2.028 20 30 FEEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2C[C@@H](O)C[C@@H]2C)c1C#N ZINC000530519698 562414259 /nfs/dbraw/zinc/41/42/59/562414259.db2.gz QZFMLDPFURIDLY-WFASDCNBSA-N 1 2 356.426 2.012 20 30 FEEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2C[C@@H](O)C[C@@H]2C)c1C#N ZINC000530519698 562414260 /nfs/dbraw/zinc/41/42/60/562414260.db2.gz QZFMLDPFURIDLY-WFASDCNBSA-N 1 2 356.426 2.012 20 30 FEEDLO N#CCN1CCC[C@@H](CNC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)C1 ZINC000530639777 562418642 /nfs/dbraw/zinc/41/86/42/562418642.db2.gz XDGWLPSQAKHHHJ-HKUYNNGSSA-N 1 2 372.538 2.128 20 30 FEEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1=O ZINC000532204651 562470518 /nfs/dbraw/zinc/47/05/18/562470518.db2.gz XRXICWVUHQLXCF-IUODEOHRSA-N 1 2 372.494 2.154 20 30 FEEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1=O ZINC000532204651 562470519 /nfs/dbraw/zinc/47/05/19/562470519.db2.gz XRXICWVUHQLXCF-IUODEOHRSA-N 1 2 372.494 2.154 20 30 FEEDLO N#Cc1ccc(N2CC[NH+](CCCn3c4ccccc4[nH]c3=O)CC2)nc1 ZINC000532926951 562492797 /nfs/dbraw/zinc/49/27/97/562492797.db2.gz NDVQYADXRCAJJQ-UHFFFAOYSA-N 1 2 362.437 2.221 20 30 FEEDLO C[C@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000536129746 562573104 /nfs/dbraw/zinc/57/31/04/562573104.db2.gz CSLSBCAQQBTPCA-QWRGUYRKSA-N 1 2 361.389 2.290 20 30 FEEDLO C[C@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000536129746 562573105 /nfs/dbraw/zinc/57/31/05/562573105.db2.gz CSLSBCAQQBTPCA-QWRGUYRKSA-N 1 2 361.389 2.290 20 30 FEEDLO N#Cc1cccc(N2CC[NH+]([C@@H]3CCCN(c4ccccc4)C3=O)CC2)n1 ZINC000545506109 562628501 /nfs/dbraw/zinc/62/85/01/562628501.db2.gz JXCRVUKUJVJCIU-LJQANCHMSA-N 1 2 361.449 2.271 20 30 FEEDLO C=CCSCCNC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000549895254 562641017 /nfs/dbraw/zinc/64/10/17/562641017.db2.gz CPPBAENQPYNEIL-MRXNPFEDSA-N 1 2 364.515 2.053 20 30 FEEDLO C=CCSCCNC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000549895254 562641018 /nfs/dbraw/zinc/64/10/18/562641018.db2.gz CPPBAENQPYNEIL-MRXNPFEDSA-N 1 2 364.515 2.053 20 30 FEEDLO C[C@@H]1C[N@@H+](CC(=O)NCCCSc2ccccc2)C[C@H](C)N1CC#N ZINC000602855646 568002179 /nfs/dbraw/zinc/00/21/79/568002179.db2.gz IEXUTARJIMALGR-CALCHBBNSA-N 1 2 360.527 2.203 20 30 FEEDLO C[C@@H]1C[N@H+](CC(=O)NCCCSc2ccccc2)C[C@H](C)N1CC#N ZINC000602855646 568002181 /nfs/dbraw/zinc/00/21/81/568002181.db2.gz IEXUTARJIMALGR-CALCHBBNSA-N 1 2 360.527 2.203 20 30 FEEDLO N#CCC1(CN2CC[NH+]([C@H]3CCCN(Cc4ccccc4)C3=O)CC2)CC1 ZINC000602801696 568036881 /nfs/dbraw/zinc/03/68/81/568036881.db2.gz MBJHOPIKWKLPTR-FQEVSTJZSA-N 1 2 366.509 2.489 20 30 FEEDLO N#CCC1(C[NH+]2CCN([C@H]3CCCN(Cc4ccccc4)C3=O)CC2)CC1 ZINC000602801696 568036883 /nfs/dbraw/zinc/03/68/83/568036883.db2.gz MBJHOPIKWKLPTR-FQEVSTJZSA-N 1 2 366.509 2.489 20 30 FEEDLO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000602802700 568037072 /nfs/dbraw/zinc/03/70/72/568037072.db2.gz SVNFLWODVZEZKQ-QGZVFWFLSA-N 1 2 372.404 2.121 20 30 FEEDLO C[N@H+](CCOCc1ccc(C#N)cc1)CC(=O)NCC(=O)c1ccccc1 ZINC000568438462 568038253 /nfs/dbraw/zinc/03/82/53/568038253.db2.gz USTFROHQFLXQRH-UHFFFAOYSA-N 1 2 365.433 2.006 20 30 FEEDLO C[N@@H+](CCOCc1ccc(C#N)cc1)CC(=O)NCC(=O)c1ccccc1 ZINC000568438462 568038254 /nfs/dbraw/zinc/03/82/54/568038254.db2.gz USTFROHQFLXQRH-UHFFFAOYSA-N 1 2 365.433 2.006 20 30 FEEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000603088792 568059524 /nfs/dbraw/zinc/05/95/24/568059524.db2.gz HKVXYHXZKMGYNS-VXGBXAGGSA-N 1 2 361.396 2.068 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)n1cc(C[NH2+]Cc2ccc(F)cc2)nn1 ZINC000603175625 568067997 /nfs/dbraw/zinc/06/79/97/568067997.db2.gz LWZLAZOZIXOJRG-AUUYWEPGSA-N 1 2 372.448 2.322 20 30 FEEDLO CCOCc1ccc(CNC(=O)C[NH+]2CCN([C@@H](C#N)C(C)C)CC2)cc1 ZINC000609485536 568346071 /nfs/dbraw/zinc/34/60/71/568346071.db2.gz RYOFWAFDHHEBNU-FQEVSTJZSA-N 1 2 372.513 2.005 20 30 FEEDLO N#CCC[C@@H](C#N)C[NH+]1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000737682306 598789004 /nfs/dbraw/zinc/78/90/04/598789004.db2.gz HDWHEQOOJPPNLH-AWEZNQCLSA-N 1 2 351.414 2.153 20 30 FEEDLO C=CCN(C(=O)[C@@H](CC)[N@H+](C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000559267700 674534568 /nfs/dbraw/zinc/53/45/68/674534568.db2.gz RIYKBYDPFUATRN-ZWKOTPCHSA-N 1 2 364.511 2.099 20 30 FEEDLO C=CCN(C(=O)[C@@H](CC)[N@@H+](C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000559267700 674534571 /nfs/dbraw/zinc/53/45/71/674534571.db2.gz RIYKBYDPFUATRN-ZWKOTPCHSA-N 1 2 364.511 2.099 20 30 FEEDLO N#Cc1ccc(CN2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)o3)CC2)cc1 ZINC000826384866 608507616 /nfs/dbraw/zinc/50/76/16/608507616.db2.gz MSPJUCXAWAFWPN-UHFFFAOYSA-N 1 2 363.425 2.039 20 30 FEEDLO N#Cc1ccc(CN2CCC[N@@H+](Cc3ccc(-c4nn[nH]n4)o3)CC2)cc1 ZINC000826384866 608507618 /nfs/dbraw/zinc/50/76/18/608507618.db2.gz MSPJUCXAWAFWPN-UHFFFAOYSA-N 1 2 363.425 2.039 20 30 FEEDLO N#Cc1ccc(C[N@@H+]2CCCN(Cc3ccc(-c4nn[nH]n4)o3)CC2)cc1 ZINC000826384866 608507620 /nfs/dbraw/zinc/50/76/20/608507620.db2.gz MSPJUCXAWAFWPN-UHFFFAOYSA-N 1 2 363.425 2.039 20 30 FEEDLO N#Cc1ccc(C[N@H+]2CCCN(Cc3ccc(-c4nn[nH]n4)o3)CC2)cc1 ZINC000826384866 608507622 /nfs/dbraw/zinc/50/76/22/608507622.db2.gz MSPJUCXAWAFWPN-UHFFFAOYSA-N 1 2 363.425 2.039 20 30 FEEDLO N#Cc1ccccc1N1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2F)CC1 ZINC000826387492 608649113 /nfs/dbraw/zinc/64/91/13/608649113.db2.gz XVHUHOLERBGMGI-UHFFFAOYSA-N 1 2 363.400 2.200 20 30 FEEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN(Cc2ccc(Cl)nc2)CC1 ZINC000116308028 670904556 /nfs/dbraw/zinc/90/45/56/670904556.db2.gz XXBBLUITMAQHLH-INIZCTEOSA-N 1 2 362.905 2.442 20 30 FEEDLO N#Cc1cccc(S(=O)(=O)CC[NH2+]Cc2ccn(C3CCCC3)n2)c1 ZINC000573358995 671113229 /nfs/dbraw/zinc/11/32/29/671113229.db2.gz QHQKAESDRUJDBS-UHFFFAOYSA-N 1 2 358.467 2.433 20 30 FEEDLO CCC(CC)c1cc(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)on1 ZINC000574566304 671255088 /nfs/dbraw/zinc/25/50/88/671255088.db2.gz ORPGAQOZTJWIQN-UHFFFAOYSA-N 1 2 362.455 2.408 20 30 FEEDLO C[N@@H+]1CC[C@@H](NS(=O)(=O)CC2(C#N)CCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000578063460 671637642 /nfs/dbraw/zinc/63/76/42/671637642.db2.gz LMUSIHYFQOJVJH-HZPDHXFCSA-N 1 2 369.437 2.323 20 30 FEEDLO C[N@H+]1CC[C@@H](NS(=O)(=O)CC2(C#N)CCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000578063460 671637643 /nfs/dbraw/zinc/63/76/43/671637643.db2.gz LMUSIHYFQOJVJH-HZPDHXFCSA-N 1 2 369.437 2.323 20 30 FEEDLO C[C@](C#N)(NC(=O)C[NH+]1CCC(Oc2cncc(Cl)c2)CC1)C1CC1 ZINC000578949557 671700771 /nfs/dbraw/zinc/70/07/71/671700771.db2.gz HRBYVECAQDCGGZ-GOSISDBHSA-N 1 2 362.861 2.387 20 30 FEEDLO C=CCn1c(CC(F)(F)F)nnc1N1CC[NH+](Cc2ccco2)CC1 ZINC000580311115 671797094 /nfs/dbraw/zinc/79/70/94/671797094.db2.gz XCHBMLKVPCGFNR-UHFFFAOYSA-N 1 2 355.364 2.484 20 30 FEEDLO N#Cc1cccc(CNC(=O)C[N@H+]2CCC[C@@H](OCC(F)(F)F)C2)c1 ZINC000610002211 675946678 /nfs/dbraw/zinc/94/66/78/675946678.db2.gz PJKUPXRWMKOOSP-OAHLLOKOSA-N 1 2 355.360 2.218 20 30 FEEDLO N#Cc1cccc(CNC(=O)C[N@@H+]2CCC[C@@H](OCC(F)(F)F)C2)c1 ZINC000610002211 675946682 /nfs/dbraw/zinc/94/66/82/675946682.db2.gz PJKUPXRWMKOOSP-OAHLLOKOSA-N 1 2 355.360 2.218 20 30 FEEDLO N#CC[C@@]1(O)CC[N@H+](Cc2cc3c(cc2Br)OCCCO3)C1 ZINC000592152528 672764710 /nfs/dbraw/zinc/76/47/10/672764710.db2.gz YRTZBCQJTYNPGF-MRXNPFEDSA-N 1 2 367.243 2.461 20 30 FEEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2cc3c(cc2Br)OCCCO3)C1 ZINC000592152528 672764715 /nfs/dbraw/zinc/76/47/15/672764715.db2.gz YRTZBCQJTYNPGF-MRXNPFEDSA-N 1 2 367.243 2.461 20 30 FEEDLO C#CCSCCNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000245672143 672822765 /nfs/dbraw/zinc/82/27/65/672822765.db2.gz KHJDXBZEIZSHED-HZPDHXFCSA-N 1 2 353.438 2.376 20 30 FEEDLO C#CCSCCNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000245672143 672822767 /nfs/dbraw/zinc/82/27/67/672822767.db2.gz KHJDXBZEIZSHED-HZPDHXFCSA-N 1 2 353.438 2.376 20 30 FEEDLO CC(C)(C)C(=O)N1CSC[C@@H]1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000329188689 673073415 /nfs/dbraw/zinc/07/34/15/673073415.db2.gz REXFZALOKUYMTF-CYBMUJFWSA-N 1 2 357.520 2.001 20 30 FEEDLO CC(C)(C)C(=O)N1CSC[C@@H]1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000329188689 673073419 /nfs/dbraw/zinc/07/34/19/673073419.db2.gz REXFZALOKUYMTF-CYBMUJFWSA-N 1 2 357.520 2.001 20 30 FEEDLO O=C(Nc1csc(-c2ccccn2)n1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000329816925 673084140 /nfs/dbraw/zinc/08/41/40/673084140.db2.gz FPUAVOTTYLKUAY-ZDUSSCGKSA-N 1 2 359.455 2.157 20 30 FEEDLO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000595111376 673194823 /nfs/dbraw/zinc/19/48/23/673194823.db2.gz IUKGONMHCNPOFW-INIZCTEOSA-N 1 2 367.471 2.404 20 30 FEEDLO N#CC[C@H]1CCC[N@@H+](CC(=O)Nc2cc(Cl)ccc2-n2cncn2)C1 ZINC000595614425 673273399 /nfs/dbraw/zinc/27/33/99/673273399.db2.gz HUCVMGCEAQTDDP-CYBMUJFWSA-N 1 2 358.833 2.485 20 30 FEEDLO N#CC[C@H]1CCC[N@H+](CC(=O)Nc2cc(Cl)ccc2-n2cncn2)C1 ZINC000595614425 673273403 /nfs/dbraw/zinc/27/34/03/673273403.db2.gz HUCVMGCEAQTDDP-CYBMUJFWSA-N 1 2 358.833 2.485 20 30 FEEDLO CN(C)C(=O)N(C)[C@H]1CC[N@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000595826825 673328440 /nfs/dbraw/zinc/32/84/40/673328440.db2.gz PDYMPIWYEDARKK-AWEZNQCLSA-N 1 2 352.385 2.347 20 30 FEEDLO CN(C)C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000595826825 673328444 /nfs/dbraw/zinc/32/84/44/673328444.db2.gz PDYMPIWYEDARKK-AWEZNQCLSA-N 1 2 352.385 2.347 20 30 FEEDLO CN(C1CC[NH+](Cc2cc(Cl)ccc2OCC#N)CC1)S(C)(=O)=O ZINC000735310186 673490068 /nfs/dbraw/zinc/49/00/68/673490068.db2.gz SNTICAZGJTYROD-UHFFFAOYSA-N 1 2 371.890 2.098 20 30 FEEDLO C[C@@H]1C[N@H+](CCNC(=O)c2ccc(Br)cc2C#N)[C@H](C)CO1 ZINC000597996544 673528138 /nfs/dbraw/zinc/52/81/38/673528138.db2.gz QCGNPWORIOOETG-VXGBXAGGSA-N 1 2 366.259 2.160 20 30 FEEDLO C[C@@H]1C[N@@H+](CCNC(=O)c2ccc(Br)cc2C#N)[C@H](C)CO1 ZINC000597996544 673528139 /nfs/dbraw/zinc/52/81/39/673528139.db2.gz QCGNPWORIOOETG-VXGBXAGGSA-N 1 2 366.259 2.160 20 30 FEEDLO C#CCSCCNC(=O)N1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC000740076272 673642095 /nfs/dbraw/zinc/64/20/95/673642095.db2.gz VKQWQTKNEVHOQN-UHFFFAOYSA-N 1 2 361.511 2.197 20 30 FEEDLO N#CC1(C[C@H](O)C[N@@H+]2CCSC[C@@H]2c2nccs2)CCOCC1 ZINC000599373491 673665666 /nfs/dbraw/zinc/66/56/66/673665666.db2.gz XFBPTKBFZUOURG-UONOGXRCSA-N 1 2 353.513 2.304 20 30 FEEDLO N#CC1(C[C@H](O)C[N@H+]2CCSC[C@@H]2c2nccs2)CCOCC1 ZINC000599373491 673665667 /nfs/dbraw/zinc/66/56/67/673665667.db2.gz XFBPTKBFZUOURG-UONOGXRCSA-N 1 2 353.513 2.304 20 30 FEEDLO N#Cc1ccc(CC(=O)N(CCn2cc[nH+]c2)C2CCSCC2)cn1 ZINC000599927627 673728365 /nfs/dbraw/zinc/72/83/65/673728365.db2.gz DMOHZMAPMHLECV-UHFFFAOYSA-N 1 2 355.467 2.117 20 30 FEEDLO CN(C)c1c(F)c(F)ccc1CN(CCC#N)CC[NH+]1CCOCC1 ZINC000600104841 673741102 /nfs/dbraw/zinc/74/11/02/673741102.db2.gz RAKBQAMDLXIALY-UHFFFAOYSA-N 1 2 352.429 2.079 20 30 FEEDLO CC#CCS(=O)(=O)c1cccc(C(=O)NCc2c[nH+]c(C)cc2C)c1 ZINC000822012142 675464873 /nfs/dbraw/zinc/46/48/73/675464873.db2.gz LQXRNEIKJUVFML-UHFFFAOYSA-N 1 2 356.447 2.425 20 30 FEEDLO C#CCN(CC(=O)OC(C)(C)C)C(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000824447477 675603290 /nfs/dbraw/zinc/60/32/90/675603290.db2.gz LUSUPUHEHWXGQG-GFCCVEGCSA-N 1 2 359.348 2.180 20 30 FEEDLO C#CCN(CC(=O)OC(C)(C)C)C(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000824447478 675603330 /nfs/dbraw/zinc/60/33/30/675603330.db2.gz LUSUPUHEHWXGQG-LBPRGKRZSA-N 1 2 359.348 2.180 20 30 FEEDLO CC#CC[NH2+]Cc1cn(C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)nn1 ZINC000641225543 677197396 /nfs/dbraw/zinc/19/73/96/677197396.db2.gz CNLBIJISEFWNQN-INIZCTEOSA-N 1 2 352.360 2.013 20 30 FEEDLO C=CC[C@H]1CCCN(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000660447001 678341148 /nfs/dbraw/zinc/34/11/48/678341148.db2.gz JZSXNHFLAKQEPN-WMZOPIPTSA-N 1 2 353.532 2.192 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](C)C1CC[NH+](Cc2nncs2)CC1 ZINC000997340641 680352337 /nfs/dbraw/zinc/35/23/37/680352337.db2.gz RKAPGDHQHFUVGY-KMFMINBZSA-N 1 2 364.515 2.236 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)C1CC[NH+](Cc2nncs2)CC1 ZINC000997794435 680366884 /nfs/dbraw/zinc/36/68/84/680366884.db2.gz RKAPGDHQHFUVGY-QRTARXTBSA-N 1 2 364.515 2.236 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2nnc(C(C)C)s2)C1 ZINC001028812601 680383715 /nfs/dbraw/zinc/38/37/15/680383715.db2.gz HMTHZNZRAHTFFY-KFWWJZLASA-N 1 2 364.515 2.191 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[N@H+](Cc2nnc(C(C)C)s2)C1 ZINC001028812601 680383720 /nfs/dbraw/zinc/38/37/20/680383720.db2.gz HMTHZNZRAHTFFY-KFWWJZLASA-N 1 2 364.515 2.191 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1C[NH+](CC#Cc2ccc(Cl)cc2)C1 ZINC001031987268 680410480 /nfs/dbraw/zinc/41/04/80/680410480.db2.gz FRTUYSJCVHNWFL-MOPGFXCFSA-N 1 2 358.869 2.331 20 30 FEEDLO Fc1ccc(-n2cc(C=NNC3=[NH+][C@H]4CCCC[C@@H]4N3)nn2)c(Cl)c1 ZINC000755816159 680438094 /nfs/dbraw/zinc/43/80/94/680438094.db2.gz YKDVPXCEXGIVLX-KBPBESRZSA-N 1 2 361.812 2.254 20 30 FEEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)[C@@H]2C[C@H]2C2CCOCC2)s1 ZINC001038509403 680458160 /nfs/dbraw/zinc/45/81/60/680458160.db2.gz YFFNTBVSHNUGRL-FHLIZLRMSA-N 1 2 359.495 2.373 20 30 FEEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)[C@@H]2C[C@H]2C2CCOCC2)s1 ZINC001038509403 680458164 /nfs/dbraw/zinc/45/81/64/680458164.db2.gz YFFNTBVSHNUGRL-FHLIZLRMSA-N 1 2 359.495 2.373 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CCc1c(F)cccc1F ZINC001038714667 680459774 /nfs/dbraw/zinc/45/97/74/680459774.db2.gz RZIVGVUUNKTEDX-JOQOYGCGSA-N 1 2 350.409 2.289 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1CCc1c(F)cccc1F ZINC001038714667 680459775 /nfs/dbraw/zinc/45/97/75/680459775.db2.gz RZIVGVUUNKTEDX-JOQOYGCGSA-N 1 2 350.409 2.289 20 30 FEEDLO C#C[C@H](C)[N@H+](C)CC(=O)N(C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000769961199 681001683 /nfs/dbraw/zinc/00/16/83/681001683.db2.gz PXKOTIUZDZNAKO-LBPRGKRZSA-N 1 2 355.360 2.056 20 30 FEEDLO C#C[C@H](C)[N@@H+](C)CC(=O)N(C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000769961199 681001684 /nfs/dbraw/zinc/00/16/84/681001684.db2.gz PXKOTIUZDZNAKO-LBPRGKRZSA-N 1 2 355.360 2.056 20 30 FEEDLO C#CC[C@H]1CCC[N@@H+](Cc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2Cl)C1 ZINC000843423580 681003239 /nfs/dbraw/zinc/00/32/39/681003239.db2.gz GOTRQGGYGQCJFQ-GJZGRUSLSA-N 1 2 369.918 2.440 20 30 FEEDLO C#CC[C@H]1CCC[N@H+](Cc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2Cl)C1 ZINC000843423580 681003242 /nfs/dbraw/zinc/00/32/42/681003242.db2.gz GOTRQGGYGQCJFQ-GJZGRUSLSA-N 1 2 369.918 2.440 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2Cc1cnns1 ZINC001049779784 681038724 /nfs/dbraw/zinc/03/87/24/681038724.db2.gz WVPDQFATAADDSP-NXOAAHMSSA-N 1 2 362.499 2.085 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2Cc1cnns1 ZINC001049779784 681038726 /nfs/dbraw/zinc/03/87/26/681038726.db2.gz WVPDQFATAADDSP-NXOAAHMSSA-N 1 2 362.499 2.085 20 30 FEEDLO CC(C)c1nnc(NC(=O)C[N@H+](C)C[C@@H](O)c2cccc(C#N)c2)s1 ZINC000844365113 681054191 /nfs/dbraw/zinc/05/41/91/681054191.db2.gz AVHANAUNUVRIFD-CQSZACIVSA-N 1 2 359.455 2.137 20 30 FEEDLO CC(C)c1nnc(NC(=O)C[N@@H+](C)C[C@@H](O)c2cccc(C#N)c2)s1 ZINC000844365113 681054193 /nfs/dbraw/zinc/05/41/93/681054193.db2.gz AVHANAUNUVRIFD-CQSZACIVSA-N 1 2 359.455 2.137 20 30 FEEDLO C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3ccsc3)C2)CC1 ZINC001052042355 681071038 /nfs/dbraw/zinc/07/10/38/681071038.db2.gz BFBCPLWYRMJNNU-CEXWTWQISA-N 1 2 357.523 2.093 20 30 FEEDLO N#Cc1c(Cl)nsc1N[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001059454347 681180785 /nfs/dbraw/zinc/18/07/85/681180785.db2.gz KXAXXFAAMDAZJK-ZYUZMQFOSA-N 1 2 362.846 2.254 20 30 FEEDLO N#Cc1c(Cl)nsc1N[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001059454347 681180787 /nfs/dbraw/zinc/18/07/87/681180787.db2.gz KXAXXFAAMDAZJK-ZYUZMQFOSA-N 1 2 362.846 2.254 20 30 FEEDLO C#CCCN1CC[NH+](C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000776593105 681412566 /nfs/dbraw/zinc/41/25/66/681412566.db2.gz REOLOZJEOMDVHU-HNNXBMFYSA-N 1 2 357.281 2.374 20 30 FEEDLO C=C(Cl)CN1CC(N(CC)C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC000950342803 681682822 /nfs/dbraw/zinc/68/28/22/681682822.db2.gz DLHMWDOCUAUOJU-RHSMWYFYSA-N 1 2 362.905 2.439 20 30 FEEDLO CO[C@H](C)c1noc(CO[NH+]=C(N)c2ccc(Br)cc2)n1 ZINC000782949499 682097572 /nfs/dbraw/zinc/09/75/72/682097572.db2.gz WEIBIZDNXKVYCT-MRVPVSSYSA-N 1 2 355.192 2.377 20 30 FEEDLO C#CCOCC[NH+]1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1 ZINC000851974269 682195789 /nfs/dbraw/zinc/19/57/89/682195789.db2.gz AACXIQCBTITAOD-UHFFFAOYSA-N 1 2 371.264 2.166 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](Cc2cccc(F)c2F)C1 ZINC000970448309 682298921 /nfs/dbraw/zinc/29/89/21/682298921.db2.gz XZYCOBJVHWFISY-MJEQTWJJSA-N 1 2 350.409 2.492 20 30 FEEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC000852734934 682331036 /nfs/dbraw/zinc/33/10/36/682331036.db2.gz FTGLTODNLWVDDO-HUUCEWRRSA-N 1 2 357.470 2.348 20 30 FEEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC000852734934 682331038 /nfs/dbraw/zinc/33/10/38/682331038.db2.gz FTGLTODNLWVDDO-HUUCEWRRSA-N 1 2 357.470 2.348 20 30 FEEDLO Cc1ccc2c(c1Br)NC(=O)C2=NNCCCn1cc[nH+]c1 ZINC000853372184 682409145 /nfs/dbraw/zinc/40/91/45/682409145.db2.gz JMXBGQIKMJEEBM-UHFFFAOYSA-N 1 2 362.231 2.290 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2c(C)nn(C)c2Cl)C1 ZINC000972371773 682410945 /nfs/dbraw/zinc/41/09/45/682410945.db2.gz AZKHWHRMIFARKU-LZWOXQAQSA-N 1 2 366.893 2.006 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2c(C)nn(C)c2Cl)C1 ZINC000972371773 682410946 /nfs/dbraw/zinc/41/09/46/682410946.db2.gz AZKHWHRMIFARKU-LZWOXQAQSA-N 1 2 366.893 2.006 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@]2(C1)C[N@H+](Cc1ccsc1)CCO2 ZINC000972561378 682421774 /nfs/dbraw/zinc/42/17/74/682421774.db2.gz PSHHJZAMOUHRQY-AOIWGVFYSA-N 1 2 362.495 2.143 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@]2(C1)C[N@@H+](Cc1ccsc1)CCO2 ZINC000972561378 682421777 /nfs/dbraw/zinc/42/17/77/682421777.db2.gz PSHHJZAMOUHRQY-AOIWGVFYSA-N 1 2 362.495 2.143 20 30 FEEDLO Cc1cc(Br)cn2cc(CCNC(=O)NCCC#N)[nH+]c12 ZINC000787351569 682452926 /nfs/dbraw/zinc/45/29/26/682452926.db2.gz MEDJDTQAATUVCS-UHFFFAOYSA-N 1 2 350.220 2.161 20 30 FEEDLO N#Cc1ccc(Cl)c(S(=O)(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)c1 ZINC000921322097 683423138 /nfs/dbraw/zinc/42/31/38/683423138.db2.gz NPGVMHSRAWTNBM-KBPBESRZSA-N 1 2 371.915 2.070 20 30 FEEDLO N#Cc1ccc(Cl)c(S(=O)(=O)N[C@H]2CCC[N@H+]3CCSC[C@@H]23)c1 ZINC000921322097 683423139 /nfs/dbraw/zinc/42/31/39/683423139.db2.gz NPGVMHSRAWTNBM-KBPBESRZSA-N 1 2 371.915 2.070 20 30 FEEDLO N#Cc1ccc(Cl)c(S(=O)(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)c1 ZINC000921322100 683423160 /nfs/dbraw/zinc/42/31/60/683423160.db2.gz NPGVMHSRAWTNBM-ZIAGYGMSSA-N 1 2 371.915 2.070 20 30 FEEDLO N#Cc1ccc(Cl)c(S(=O)(=O)N[C@@H]2CCC[N@H+]3CCSC[C@H]23)c1 ZINC000921322100 683423163 /nfs/dbraw/zinc/42/31/63/683423163.db2.gz NPGVMHSRAWTNBM-ZIAGYGMSSA-N 1 2 371.915 2.070 20 30 FEEDLO CC(C)(C)C[N@H+](CCC#N)C[C@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1 ZINC000929691857 683627509 /nfs/dbraw/zinc/62/75/09/683627509.db2.gz MXNIWCKXUKCYPM-HNNXBMFYSA-N 1 2 373.563 2.250 20 30 FEEDLO CC(C)(C)C[N@@H+](CCC#N)C[C@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1 ZINC000929691857 683627511 /nfs/dbraw/zinc/62/75/11/683627511.db2.gz MXNIWCKXUKCYPM-HNNXBMFYSA-N 1 2 373.563 2.250 20 30 FEEDLO N#Cc1ccc(C[N@H+]2CCCC[C@@H]2CS(N)(=O)=O)c(C(F)(F)F)c1 ZINC000931233080 684246382 /nfs/dbraw/zinc/24/63/82/684246382.db2.gz WLWBPGISXBAECS-CYBMUJFWSA-N 1 2 361.389 2.220 20 30 FEEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2CS(N)(=O)=O)c(C(F)(F)F)c1 ZINC000931233080 684246386 /nfs/dbraw/zinc/24/63/86/684246386.db2.gz WLWBPGISXBAECS-CYBMUJFWSA-N 1 2 361.389 2.220 20 30 FEEDLO N#Cc1cc(NC(=O)/C=C\C[NH+]2CCOCC2)ccc1OC(F)(F)F ZINC000868056763 684444673 /nfs/dbraw/zinc/44/46/73/684444673.db2.gz JDKUZNSWSREYOB-UPHRSURJSA-N 1 2 355.316 2.284 20 30 FEEDLO CC(=O)[C@](C#N)(CC[N@@H+]1CCC[C@@H](CS(C)(=O)=O)C1)c1ccccc1 ZINC000878648838 686627478 /nfs/dbraw/zinc/62/74/78/686627478.db2.gz TVRCBTLCRRGPLA-IEBWSBKVSA-N 1 2 362.495 2.184 20 30 FEEDLO CC(=O)[C@](C#N)(CC[N@H+]1CCC[C@@H](CS(C)(=O)=O)C1)c1ccccc1 ZINC000878648838 686627481 /nfs/dbraw/zinc/62/74/81/686627481.db2.gz TVRCBTLCRRGPLA-IEBWSBKVSA-N 1 2 362.495 2.184 20 30 FEEDLO C[C@H]1C[N@H+](CC(=O)NCc2cccc(C#N)c2)CC[C@@H](C(F)(F)F)O1 ZINC000880057919 686989147 /nfs/dbraw/zinc/98/91/47/686989147.db2.gz AHFAHUUQUNWVHB-WFASDCNBSA-N 1 2 355.360 2.216 20 30 FEEDLO C[C@H]1C[N@@H+](CC(=O)NCc2cccc(C#N)c2)CC[C@@H](C(F)(F)F)O1 ZINC000880057919 686989151 /nfs/dbraw/zinc/98/91/51/686989151.db2.gz AHFAHUUQUNWVHB-WFASDCNBSA-N 1 2 355.360 2.216 20 30 FEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1ccc(F)cc1OCC(F)(F)F ZINC000884137709 687798412 /nfs/dbraw/zinc/79/84/12/687798412.db2.gz UFTZOARSLSFLSC-JTQLQIEISA-N 1 2 364.295 2.152 20 30 FEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1ccc(OCC(F)(F)F)c(C)c1 ZINC000884145563 687799834 /nfs/dbraw/zinc/79/98/34/687799834.db2.gz NDVZIHBCNPADNI-LBPRGKRZSA-N 1 2 360.332 2.321 20 30 FEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC1(c2ccc(F)cc2Cl)CC1 ZINC000884319887 687846730 /nfs/dbraw/zinc/84/67/30/687846730.db2.gz GFGIWPNJUPUTHH-AWEZNQCLSA-N 1 2 354.809 2.074 20 30 FEEDLO N#Cc1ccc(NCC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)nc1 ZINC000502083213 688241625 /nfs/dbraw/zinc/24/16/25/688241625.db2.gz OLYAEDOBPCPFEB-UHFFFAOYSA-N 1 2 356.455 2.446 20 30 FEEDLO Cn1nc2c(c1C[NH+]1CCN(c3ccccc3C#N)CC1)CSCC2 ZINC000893922040 689430386 /nfs/dbraw/zinc/43/03/86/689430386.db2.gz YKCULMQYAAFSAM-UHFFFAOYSA-N 1 2 353.495 2.403 20 30 FEEDLO C=C(Cl)C[C@H]([NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1)C(=O)[O-] ZINC000901940678 690717717 /nfs/dbraw/zinc/71/77/17/690717717.db2.gz PUWBVHWGGOVGRL-KRWDZBQOSA-N 1 2 368.861 2.083 20 30 FEEDLO C=C(Cl)C[C@@H]([NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1)C(=O)[O-] ZINC000901940679 690717828 /nfs/dbraw/zinc/71/78/28/690717828.db2.gz PUWBVHWGGOVGRL-QGZVFWFLSA-N 1 2 368.861 2.083 20 30 FEEDLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1cc(C#N)cc(Cl)n1)C2 ZINC001165010315 721692772 /nfs/dbraw/zinc/69/27/72/721692772.db2.gz VGVUSQIDUZQYCC-UHFFFAOYSA-N 1 2 359.865 2.449 20 30 FEEDLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1cc(C#N)cc(Cl)n1)C2 ZINC001165010315 721692777 /nfs/dbraw/zinc/69/27/77/721692777.db2.gz VGVUSQIDUZQYCC-UHFFFAOYSA-N 1 2 359.865 2.449 20 30 FEEDLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1nccc(Cl)c1C#N)C2 ZINC001165010380 721698621 /nfs/dbraw/zinc/69/86/21/721698621.db2.gz HTDNFXKSLQGSHI-UHFFFAOYSA-N 1 2 359.865 2.449 20 30 FEEDLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1nccc(Cl)c1C#N)C2 ZINC001165010380 721698623 /nfs/dbraw/zinc/69/86/23/721698623.db2.gz HTDNFXKSLQGSHI-UHFFFAOYSA-N 1 2 359.865 2.449 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ccc4c(c3)OCCO4)CC2)cc1 ZINC000017843447 539643968 /nfs/dbraw/zinc/64/39/68/539643968.db2.gz ADYVSRXXPDEJPL-UHFFFAOYSA-N 1 2 363.417 2.287 20 30 FEEDLO Cn1cc[nH+]c1[C@@H](NS(=O)(=O)c1cccc(C#N)c1)c1ccccc1 ZINC000017521601 539641998 /nfs/dbraw/zinc/64/19/98/539641998.db2.gz MIKOXEWRTUNARJ-KRWDZBQOSA-N 1 2 352.419 2.360 20 30 FEEDLO Cn1cc[nH+]c1[C@@H](NS(=O)(=O)c1ccccc1C#N)c1ccc(F)cc1 ZINC000017521718 539642337 /nfs/dbraw/zinc/64/23/37/539642337.db2.gz YBMXTVVPLNMCQX-KRWDZBQOSA-N 1 2 370.409 2.499 20 30 FEEDLO C[N@@H+](CC(=O)Nc1cccc(F)c1)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000017741152 539643038 /nfs/dbraw/zinc/64/30/38/539643038.db2.gz YCFQTKRJXHTIFM-QGZVFWFLSA-N 1 2 357.385 2.008 20 30 FEEDLO C[N@H+](CC(=O)Nc1cccc(F)c1)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000017741152 539643042 /nfs/dbraw/zinc/64/30/42/539643042.db2.gz YCFQTKRJXHTIFM-QGZVFWFLSA-N 1 2 357.385 2.008 20 30 FEEDLO Cc1cc(C[NH+]2CCN(CC(=O)Nc3ccc(C#N)c(Cl)c3)CC2)on1 ZINC000022252069 539693473 /nfs/dbraw/zinc/69/34/73/539693473.db2.gz IVSOKVSCTCKIEE-UHFFFAOYSA-N 1 2 373.844 2.264 20 30 FEEDLO C[C@@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN(Cc3ccccc3C#N)CC2)C1 ZINC000023257285 539710029 /nfs/dbraw/zinc/71/00/29/539710029.db2.gz CUHDPYBSAHXCGP-HDICACEKSA-N 1 2 354.498 2.180 20 30 FEEDLO C=CCNC(=O)C[NH+]1CCN(Cc2coc(-c3cccc(Cl)c3)n2)CC1 ZINC000026910289 539796623 /nfs/dbraw/zinc/79/66/23/539796623.db2.gz QVUAVCPIRMZIOB-UHFFFAOYSA-N 1 2 374.872 2.415 20 30 FEEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000027542554 539809616 /nfs/dbraw/zinc/80/96/16/539809616.db2.gz NOELUEKPRKVEAG-HNNXBMFYSA-N 1 2 351.878 2.027 20 30 FEEDLO N#Cc1ccc(N2CC[C@@H]([NH+]3CCN(c4ccc(O)cc4)CC3)C2=O)cc1 ZINC000028708695 539835931 /nfs/dbraw/zinc/83/59/31/539835931.db2.gz WGPVGUIAQMRQTC-HXUWFJFHSA-N 1 2 362.433 2.191 20 30 FEEDLO COc1ccc(C[NH+]2CCN(c3ncccc3C#N)CC2)c(OC)c1OC ZINC000029843950 539865834 /nfs/dbraw/zinc/86/58/34/539865834.db2.gz DDEAFNNWOIPBOE-UHFFFAOYSA-N 1 2 368.437 2.301 20 30 FEEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)c2cc(OC(F)F)ccc2F)c1C#N ZINC000530260694 539923004 /nfs/dbraw/zinc/92/30/04/539923004.db2.gz AYWMXJJWCCULAY-UHFFFAOYSA-N 1 2 367.331 2.426 20 30 FEEDLO COc1cccc(C(=O)N2CC[NH+](CCOc3ccc(C#N)cc3)CC2)c1 ZINC000044588543 540132211 /nfs/dbraw/zinc/13/22/11/540132211.db2.gz INWFHYXUAZWVRT-UHFFFAOYSA-N 1 2 365.433 2.404 20 30 FEEDLO C[C@H](C(=O)N(C)CCC#N)[NH+]1CCN(C(=O)CCC2CCCCC2)CC1 ZINC000054292419 540581933 /nfs/dbraw/zinc/58/19/33/540581933.db2.gz ONGPSSCENCOTDM-QGZVFWFLSA-N 1 2 362.518 2.252 20 30 FEEDLO C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CCN(c2ccc(O)cc2)CC1 ZINC000057406128 540794087 /nfs/dbraw/zinc/79/40/87/540794087.db2.gz VWSCLVZLRSTSHP-OAHLLOKOSA-N 1 2 350.422 2.413 20 30 FEEDLO NC(=[NH+]OCC(=O)NCc1ccccc1)c1ccc(N2CCCCC2)nc1 ZINC000058498683 540845972 /nfs/dbraw/zinc/84/59/72/540845972.db2.gz ODQXYNOBVGFWFZ-UHFFFAOYSA-N 1 2 367.453 2.025 20 30 FEEDLO CC[C@H](C)Oc1cc(C(=O)N=c2[nH][nH]c(CCC[NH2+]C)c2C#N)ccn1 ZINC000540820320 541099502 /nfs/dbraw/zinc/09/95/02/541099502.db2.gz XVVJEHVGLFZNRV-LBPRGKRZSA-N 1 2 356.430 2.258 20 30 FEEDLO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000063401930 541167171 /nfs/dbraw/zinc/16/71/71/541167171.db2.gz HWUVZDIAEFHCFO-OAHLLOKOSA-N 1 2 362.430 2.013 20 30 FEEDLO C[C@H](C(=O)NCc1cccs1)[N@@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000066437548 541318050 /nfs/dbraw/zinc/31/80/50/541318050.db2.gz GPDJDEOKGUENRL-OAHLLOKOSA-N 1 2 369.494 2.232 20 30 FEEDLO C[C@H](C(=O)NCc1cccs1)[N@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000066437548 541318055 /nfs/dbraw/zinc/31/80/55/541318055.db2.gz GPDJDEOKGUENRL-OAHLLOKOSA-N 1 2 369.494 2.232 20 30 FEEDLO CN(C(=O)C[N@@H+]1CCCN(C(=O)C(C)(C)C)CC1)C1(C#N)CCCCC1 ZINC000067229316 541433853 /nfs/dbraw/zinc/43/38/53/541433853.db2.gz JVVGOSOPDHVHJI-UHFFFAOYSA-N 1 2 362.518 2.252 20 30 FEEDLO CN(C(=O)C[N@H+]1CCCN(C(=O)C(C)(C)C)CC1)C1(C#N)CCCCC1 ZINC000067229316 541433859 /nfs/dbraw/zinc/43/38/59/541433859.db2.gz JVVGOSOPDHVHJI-UHFFFAOYSA-N 1 2 362.518 2.252 20 30 FEEDLO N#Cc1ccccc1OCC(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000068197886 541562151 /nfs/dbraw/zinc/56/21/51/541562151.db2.gz YAQITJCVWYPEKQ-UHFFFAOYSA-N 1 2 351.406 2.408 20 30 FEEDLO COc1cccc([C@H](C)[NH+]2CCN(S(=O)(=O)CCCCC#N)CC2)c1 ZINC000068915046 541640671 /nfs/dbraw/zinc/64/06/71/541640671.db2.gz DEMUASUVOMPXPB-INIZCTEOSA-N 1 2 365.499 2.397 20 30 FEEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCC[C@@]2(CNC(=O)C2)C1 ZINC000072832534 541875488 /nfs/dbraw/zinc/87/54/88/541875488.db2.gz NBHBBTKURKFJEK-CWTRNNRKSA-N 1 2 372.494 2.038 20 30 FEEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCC[C@@]2(CNC(=O)C2)C1 ZINC000072832534 541875492 /nfs/dbraw/zinc/87/54/92/541875492.db2.gz NBHBBTKURKFJEK-CWTRNNRKSA-N 1 2 372.494 2.038 20 30 FEEDLO C[C@H](C(=O)N1CCc2ccccc21)[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000073108353 541919998 /nfs/dbraw/zinc/91/99/98/541919998.db2.gz CGEBGKSHLHBDDW-MRXNPFEDSA-N 1 2 361.449 2.053 20 30 FEEDLO Cc1nn(CCC#N)c(C)c1CCC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000075713388 542199704 /nfs/dbraw/zinc/19/97/04/542199704.db2.gz RRIOLLSFFCKDOK-UHFFFAOYSA-N 1 2 368.485 2.238 20 30 FEEDLO COc1ccccc1C[NH+]1CCN([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000076343299 542266039 /nfs/dbraw/zinc/26/60/39/542266039.db2.gz UHMDXIACCYAFRF-DYESRHJHSA-N 1 2 372.513 2.256 20 30 FEEDLO C=CC[NH+]1CCC(NC(=O)c2cc(S(C)(=O)=O)ccc2Cl)CC1 ZINC000076994600 542340307 /nfs/dbraw/zinc/34/03/07/542340307.db2.gz OHNXMWCRNMNRQB-UHFFFAOYSA-N 1 2 356.875 2.124 20 30 FEEDLO C=CCCCN(C)C(=O)C(=O)Nc1ccc(C[NH+]2CCN(CC)CC2)cc1 ZINC000077861905 542428143 /nfs/dbraw/zinc/42/81/43/542428143.db2.gz SVJKKCMSZCOZBG-UHFFFAOYSA-N 1 2 372.513 2.187 20 30 FEEDLO CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC(C(=O)c2ccc(O)cc2)CC1 ZINC000079949310 542552482 /nfs/dbraw/zinc/55/24/82/542552482.db2.gz VXHVWWORNFYDCT-OAHLLOKOSA-N 1 2 357.454 2.295 20 30 FEEDLO CCOc1ccc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)cc1OC ZINC000091936892 542833626 /nfs/dbraw/zinc/83/36/26/542833626.db2.gz JBFGOBOTLHNLDQ-HNNXBMFYSA-N 1 2 367.453 2.466 20 30 FEEDLO CCOc1ccc(C[N@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)cc1OC ZINC000091936892 542833628 /nfs/dbraw/zinc/83/36/28/542833628.db2.gz JBFGOBOTLHNLDQ-HNNXBMFYSA-N 1 2 367.453 2.466 20 30 FEEDLO C[C@@H](CS(C)(=O)=O)[N@H+](C)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000093384345 542929142 /nfs/dbraw/zinc/92/91/42/542929142.db2.gz XYWIOLBAPCNSJM-HNNXBMFYSA-N 1 2 360.483 2.329 20 30 FEEDLO C[C@@H](CS(C)(=O)=O)[N@@H+](C)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000093384345 542929144 /nfs/dbraw/zinc/92/91/44/542929144.db2.gz XYWIOLBAPCNSJM-HNNXBMFYSA-N 1 2 360.483 2.329 20 30 FEEDLO Cc1ccsc1CNC(=O)C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000101554349 543032742 /nfs/dbraw/zinc/03/27/42/543032742.db2.gz ZQHFUICTLSONOY-UHFFFAOYSA-N 1 2 354.479 2.367 20 30 FEEDLO Cc1ncc(C[NH+]2CCN([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC2)s1 ZINC000106091573 543194736 /nfs/dbraw/zinc/19/47/36/543194736.db2.gz DQHZBNCVQVHNDG-KBXCAEBGSA-N 1 2 363.531 2.012 20 30 FEEDLO CCCCCNC(=O)C1CC[NH+]([C@@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000115535610 543572156 /nfs/dbraw/zinc/57/21/56/543572156.db2.gz TZHMHGALQZIOAQ-GOSISDBHSA-N 1 2 356.470 2.103 20 30 FEEDLO CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)c1 ZINC000115597278 543577553 /nfs/dbraw/zinc/57/75/53/543577553.db2.gz OWXYEIJYUOHEIB-LIRRHRJNSA-N 1 2 364.449 2.403 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000120471429 543681173 /nfs/dbraw/zinc/68/11/73/543681173.db2.gz DVKMNPHQDRKSEX-QKLQHJQFSA-N 1 2 357.502 2.203 20 30 FEEDLO C=CCNC(=O)C[NH+]1CCN(Cc2cc(C)c(C)cc2OC(F)F)CC1 ZINC000122248874 543705023 /nfs/dbraw/zinc/70/50/23/543705023.db2.gz NJQHJDKHDHUKPR-UHFFFAOYSA-N 1 2 367.440 2.325 20 30 FEEDLO C=CCNC(=O)CN1CC[NH+](Cc2cc(C)c(C)cc2OC(F)F)CC1 ZINC000122248874 543705025 /nfs/dbraw/zinc/70/50/25/543705025.db2.gz NJQHJDKHDHUKPR-UHFFFAOYSA-N 1 2 367.440 2.325 20 30 FEEDLO C=CCNC(=O)CN1CC[NH+](Cc2c[nH]nc2-c2cccc(Cl)c2)CC1 ZINC000122239206 543705101 /nfs/dbraw/zinc/70/51/01/543705101.db2.gz SUXVZCTWCWJSTN-UHFFFAOYSA-N 1 2 373.888 2.150 20 30 FEEDLO C=CCNC(=O)C[NH+]1CCN(Cc2c[nH]nc2-c2cccc(Cl)c2)CC1 ZINC000122239206 543705104 /nfs/dbraw/zinc/70/51/04/543705104.db2.gz SUXVZCTWCWJSTN-UHFFFAOYSA-N 1 2 373.888 2.150 20 30 FEEDLO N#Cc1cccc(C[NH+]2CCN(CC(=O)Nc3ccccc3F)CC2)c1 ZINC000124051659 543798331 /nfs/dbraw/zinc/79/83/31/543798331.db2.gz DJWLXRFEXRXWTR-UHFFFAOYSA-N 1 2 352.413 2.454 20 30 FEEDLO C=C(C)Cn1c(SCC(=O)NCc2[nH]cc[nH+]2)nnc1-c1ccco1 ZINC000125379987 543878517 /nfs/dbraw/zinc/87/85/17/543878517.db2.gz CVAGIJYQCLGSKK-UHFFFAOYSA-N 1 2 358.427 2.246 20 30 FEEDLO CC[C@@](C)(C#N)NC(=O)c1ccc(S(=O)(=O)Nc2cc[nH+]cc2)cc1 ZINC000127235198 543980000 /nfs/dbraw/zinc/98/00/00/543980000.db2.gz NDZJTLOZPQTADH-KRWDZBQOSA-N 1 2 358.423 2.304 20 30 FEEDLO C=C[C@H](CC(=O)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1)c1ccccc1 ZINC000126849932 543959806 /nfs/dbraw/zinc/95/98/06/543959806.db2.gz ZMLCDLNFILPPBP-IAGOWNOFSA-N 1 2 355.482 2.158 20 30 FEEDLO Cc1ccc(CC(=O)N2CC[NH+](C[C@H](O)c3ccc(C#N)cc3)CC2)cc1 ZINC000127385366 543989575 /nfs/dbraw/zinc/98/95/75/543989575.db2.gz AHOXPTKVHPAVMA-NRFANRHFSA-N 1 2 363.461 2.287 20 30 FEEDLO CSc1[nH]c(=O)c(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1C#N ZINC000127647435 544005487 /nfs/dbraw/zinc/00/54/87/544005487.db2.gz VECSJJDYYMESFD-BLLLJJGKSA-N 1 2 372.494 2.057 20 30 FEEDLO CSc1[nH]c(=O)c(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1C#N ZINC000127647435 544005491 /nfs/dbraw/zinc/00/54/91/544005491.db2.gz VECSJJDYYMESFD-BLLLJJGKSA-N 1 2 372.494 2.057 20 30 FEEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN(Cc2cc(Cl)ccc2OC)CC1 ZINC000130590647 544157080 /nfs/dbraw/zinc/15/70/80/544157080.db2.gz CZOKJNDRYWIJDM-AWEZNQCLSA-N 1 2 351.878 2.157 20 30 FEEDLO C=CCCS(=O)(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000133344397 544265867 /nfs/dbraw/zinc/26/58/67/544265867.db2.gz JZEBJPWKOVDMCY-HZPDHXFCSA-N 1 2 358.891 2.207 20 30 FEEDLO C=CCCS(=O)(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000133344397 544265869 /nfs/dbraw/zinc/26/58/69/544265869.db2.gz JZEBJPWKOVDMCY-HZPDHXFCSA-N 1 2 358.891 2.207 20 30 FEEDLO CCNC(=O)C[N@H+](CC)[C@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000133509434 544273268 /nfs/dbraw/zinc/27/32/68/544273268.db2.gz RGGYVVOQIQMXIP-QGZVFWFLSA-N 1 2 358.486 2.397 20 30 FEEDLO CCNC(=O)C[N@@H+](CC)[C@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000133509434 544273270 /nfs/dbraw/zinc/27/32/70/544273270.db2.gz RGGYVVOQIQMXIP-QGZVFWFLSA-N 1 2 358.486 2.397 20 30 FEEDLO COc1ccc(C[NH+]2CCN(C(=O)N(C)C)CC2)cc1OCCCC#N ZINC000133638663 544278151 /nfs/dbraw/zinc/27/81/51/544278151.db2.gz MHSQVPRRXNULJO-UHFFFAOYSA-N 1 2 360.458 2.177 20 30 FEEDLO C=C(C)COCCNC(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000135002083 544330530 /nfs/dbraw/zinc/33/05/30/544330530.db2.gz IYOIOXMUKQEGDV-LJQANCHMSA-N 1 2 361.486 2.260 20 30 FEEDLO CC(=O)N(C)C1CC[NH+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000143661409 544423369 /nfs/dbraw/zinc/42/33/69/544423369.db2.gz AEJZBIUSXRNQQP-GFCCVEGCSA-N 1 2 374.510 2.378 20 30 FEEDLO COCc1ccc(CNC(=O)CO[NH+]=C(N)c2ccc(F)c(C)c2)cc1 ZINC000151295189 544525456 /nfs/dbraw/zinc/52/54/56/544525456.db2.gz JMXRRRMMGJBWRP-UHFFFAOYSA-N 1 2 359.401 2.234 20 30 FEEDLO CC[NH+](CC)[C@H](CNC(=O)c1cc(C#N)c(SC)[nH]c1=O)CC(C)C ZINC000151346211 544531146 /nfs/dbraw/zinc/53/11/46/544531146.db2.gz NCMVLHBNCMYDOH-AWEZNQCLSA-N 1 2 364.515 2.455 20 30 FEEDLO COc1ccc(OC(F)F)c(C[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)c1 ZINC000151693528 544570276 /nfs/dbraw/zinc/57/02/76/544570276.db2.gz GGIVAFXPJJGOQI-INIZCTEOSA-N 1 2 361.348 2.484 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)Cc1cn(C)nc1C(F)(F)F ZINC000155068949 544984084 /nfs/dbraw/zinc/98/40/84/544984084.db2.gz XPKBTRFPTOZADY-XHDPSFHLSA-N 1 2 359.396 2.314 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@@H+](C)Cc1cn(C)nc1C(F)(F)F ZINC000155068949 544984090 /nfs/dbraw/zinc/98/40/90/544984090.db2.gz XPKBTRFPTOZADY-XHDPSFHLSA-N 1 2 359.396 2.314 20 30 FEEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2)CC1 ZINC000184771620 327882751 /nfs/dbraw/zinc/88/27/51/327882751.db2.gz HANXMJGWEMJXRS-CQSZACIVSA-N 1 2 368.462 2.464 20 30 FEEDLO CCN(C1CC[NH+](Cc2ccc(Cl)cc2C#N)CC1)S(C)(=O)=O ZINC000187248959 328011139 /nfs/dbraw/zinc/01/11/39/328011139.db2.gz APVILWGOLKYOAK-UHFFFAOYSA-N 1 2 355.891 2.458 20 30 FEEDLO C[C@@H](CNC(=O)c1ccc(C#N)c(O)c1)[NH+]1CCN(c2ccccc2)CC1 ZINC000190533110 328214535 /nfs/dbraw/zinc/21/45/35/328214535.db2.gz DAXRMAAHZQLEJX-INIZCTEOSA-N 1 2 364.449 2.204 20 30 FEEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)C(=O)Nc1ccc(F)cc1C#N ZINC000192130030 328301424 /nfs/dbraw/zinc/30/14/24/328301424.db2.gz YDDIUVOTRMQLOH-UHFFFAOYSA-N 1 2 371.416 2.334 20 30 FEEDLO Cc1oc(NC(=O)[C@@H](C)[NH+]2CCC(NC(=O)C3CC3)CC2)c(C#N)c1C ZINC000030285329 324457555 /nfs/dbraw/zinc/45/75/55/324457555.db2.gz QXELPEPSZRNXSB-GFCCVEGCSA-N 1 2 358.442 2.086 20 30 FEEDLO N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)NCc2[nH]cc[nH+]2)CC1 ZINC000114123668 325873059 /nfs/dbraw/zinc/87/30/59/325873059.db2.gz DMKLUDMHJNMRJK-UHFFFAOYSA-N 1 2 366.381 2.062 20 30 FEEDLO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(Cc2ccc(F)c(C#N)c2)CC1 ZINC000119934615 326213947 /nfs/dbraw/zinc/21/39/47/326213947.db2.gz MYYLXEIABYAKGS-HNNXBMFYSA-N 1 2 358.461 2.262 20 30 FEEDLO C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(N2CCCCC2=O)CC1 ZINC000120497257 326263522 /nfs/dbraw/zinc/26/35/22/326263522.db2.gz HNHDAUKZGLZFNN-OAHLLOKOSA-N 1 2 354.454 2.362 20 30 FEEDLO CSc1[nH]c(=O)c(C(=O)NC[C@@H]2CCCC[N@@H+]2CC(C)C)cc1C#N ZINC000121079141 326311789 /nfs/dbraw/zinc/31/17/89/326311789.db2.gz AMXODFBUHYUJQK-AWEZNQCLSA-N 1 2 362.499 2.209 20 30 FEEDLO CSc1[nH]c(=O)c(C(=O)NC[C@@H]2CCCC[N@H+]2CC(C)C)cc1C#N ZINC000121079141 326311791 /nfs/dbraw/zinc/31/17/91/326311791.db2.gz AMXODFBUHYUJQK-AWEZNQCLSA-N 1 2 362.499 2.209 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)N2CC[NH+](CCc3ccccc3F)CC2)cc1 ZINC000121309017 326328490 /nfs/dbraw/zinc/32/84/90/326328490.db2.gz XEUNLAICYNOMCJ-UHFFFAOYSA-N 1 2 373.453 2.246 20 30 FEEDLO Cc1ccc(CC(=O)N2CC[NH+](C[C@@H](O)c3ccc(C#N)cc3)CC2)cc1 ZINC000127385566 326505447 /nfs/dbraw/zinc/50/54/47/326505447.db2.gz AHOXPTKVHPAVMA-OAQYLSRUSA-N 1 2 363.461 2.287 20 30 FEEDLO N#Cc1ccc2[nH+]cc(CN3CCN(C(=O)c4ccc(F)cc4)CC3)n2c1 ZINC000128754728 326529242 /nfs/dbraw/zinc/52/92/42/326529242.db2.gz NAWJWIFKJXEIRX-UHFFFAOYSA-N 1 2 363.396 2.303 20 30 FEEDLO N#Cc1cccc(NCC(=O)NC[C@H](c2cccs2)[NH+]2CCOCC2)c1 ZINC000151143967 326675779 /nfs/dbraw/zinc/67/57/79/326675779.db2.gz RSIUMOWZLINYFR-QGZVFWFLSA-N 1 2 370.478 2.221 20 30 FEEDLO CC(C)Cn1cc[nH+]c1CNC(=O)N1CCN(c2ccccc2C#N)CC1 ZINC000173440490 327257119 /nfs/dbraw/zinc/25/71/19/327257119.db2.gz FEQMBOHSPFTWIQ-UHFFFAOYSA-N 1 2 366.469 2.443 20 30 FEEDLO COc1ccccc1[C@H]1C[NH2+]CCN1S(=O)(=O)c1ccc(C#N)c(C)c1 ZINC000262236002 328853377 /nfs/dbraw/zinc/85/33/77/328853377.db2.gz HIXRWGNWQFLELX-GOSISDBHSA-N 1 2 371.462 2.211 20 30 FEEDLO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)COc1ccccc1C#N ZINC000264194555 328998604 /nfs/dbraw/zinc/99/86/04/328998604.db2.gz QWCDVVRZLTWAIO-UHFFFAOYSA-N 1 2 352.316 2.354 20 30 FEEDLO CN(Cc1[nH+]ccn1CC(F)(F)F)S(=O)(=O)Cc1ccc(C#N)cc1 ZINC000265587259 329141073 /nfs/dbraw/zinc/14/10/73/329141073.db2.gz HHDQZOAMIGKIPT-UHFFFAOYSA-N 1 2 372.372 2.279 20 30 FEEDLO Cc1cc(F)cc2c1ncc(C#N)c2N1CC[NH+](CC(=O)NC(C)C)CC1 ZINC000266042335 329184510 /nfs/dbraw/zinc/18/45/10/329184510.db2.gz AYPDNIHCIFZLHZ-UHFFFAOYSA-N 1 2 369.444 2.201 20 30 FEEDLO N#Cc1ccc(N2CCC[C@H]([NH2+][C@@H](C(N)=O)c3ccc(F)cc3)C2=O)cc1 ZINC000272425703 329780255 /nfs/dbraw/zinc/78/02/55/329780255.db2.gz IRPSKCCHUGLCHL-ZWKOTPCHSA-N 1 2 366.396 2.009 20 30 FEEDLO COC(=O)[C@]1(C(F)(F)F)CC[N@@H+]([C@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000375768037 330248552 /nfs/dbraw/zinc/24/85/52/330248552.db2.gz LEKUXXQBCPXADX-BZNIZROVSA-N 1 2 369.343 2.313 20 30 FEEDLO COC(=O)[C@]1(C(F)(F)F)CC[N@H+]([C@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000375768037 330248554 /nfs/dbraw/zinc/24/85/54/330248554.db2.gz LEKUXXQBCPXADX-BZNIZROVSA-N 1 2 369.343 2.313 20 30 FEEDLO C[C@](C#N)(NC(=O)C[N@H+](Cc1cccs1)[C@@H]1C=C[C@H](CO)C1)C1CC1 ZINC000553938576 674295541 /nfs/dbraw/zinc/29/55/41/674295541.db2.gz JBDPLWLJXUJVDE-ZSZQSSIHSA-N 1 2 359.495 2.296 20 30 FEEDLO C[C@](C#N)(NC(=O)C[N@@H+](Cc1cccs1)[C@@H]1C=C[C@H](CO)C1)C1CC1 ZINC000553938576 674295543 /nfs/dbraw/zinc/29/55/43/674295543.db2.gz JBDPLWLJXUJVDE-ZSZQSSIHSA-N 1 2 359.495 2.296 20 30 FEEDLO N#Cc1c(Cl)cccc1S(=O)(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000156389739 545623977 /nfs/dbraw/zinc/62/39/77/545623977.db2.gz GXKGIGOHAWREPJ-UHFFFAOYSA-N 1 2 373.825 2.271 20 30 FEEDLO COc1ccc([C@@H](CO)[N@H+](C)CCS(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000156750243 545654764 /nfs/dbraw/zinc/65/47/64/545654764.db2.gz PZKTZMBIIWVHJV-LJQANCHMSA-N 1 2 374.462 2.006 20 30 FEEDLO COc1ccc([C@@H](CO)[N@@H+](C)CCS(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000156750243 545654771 /nfs/dbraw/zinc/65/47/71/545654771.db2.gz PZKTZMBIIWVHJV-LJQANCHMSA-N 1 2 374.462 2.006 20 30 FEEDLO CC[N@H+](CC#Cc1ccc(OC(F)(F)F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000157434284 545740576 /nfs/dbraw/zinc/74/05/76/545740576.db2.gz GPISRFAMDQBFQD-AWEZNQCLSA-N 1 2 361.385 2.446 20 30 FEEDLO CC[N@@H+](CC#Cc1ccc(OC(F)(F)F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000157434284 545740582 /nfs/dbraw/zinc/74/05/82/545740582.db2.gz GPISRFAMDQBFQD-AWEZNQCLSA-N 1 2 361.385 2.446 20 30 FEEDLO Cc1nc(N2CC[NH+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC2)sc1C ZINC000157466488 545745254 /nfs/dbraw/zinc/74/52/54/545745254.db2.gz LRIZPSBTLFCYQD-KSSFIOAISA-N 1 2 363.531 2.325 20 30 FEEDLO CCCc1ccc([C@H](C)[N@H+](CC(N)=O)CC(=O)N[C@](C)(C#N)C2CC2)cc1 ZINC000477655359 561150619 /nfs/dbraw/zinc/15/06/19/561150619.db2.gz WYADOFHUYOKNOQ-YCRPNKLZSA-N 1 2 370.497 2.296 20 30 FEEDLO CCCc1ccc([C@H](C)[N@@H+](CC(N)=O)CC(=O)N[C@](C)(C#N)C2CC2)cc1 ZINC000477655359 561150620 /nfs/dbraw/zinc/15/06/20/561150620.db2.gz WYADOFHUYOKNOQ-YCRPNKLZSA-N 1 2 370.497 2.296 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)COc1ccc2c(c1)CCCC2 ZINC000157561814 545754590 /nfs/dbraw/zinc/75/45/90/545754590.db2.gz NVKXERWJLGRFAO-UHFFFAOYSA-N 1 2 371.481 2.019 20 30 FEEDLO N#CCCN(CCC#N)C(=O)C[N@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000157598825 545759775 /nfs/dbraw/zinc/75/97/75/545759775.db2.gz SHAXSIXGWLHJEY-KRWDZBQOSA-N 1 2 370.428 2.376 20 30 FEEDLO N#CCCN(CCC#N)C(=O)C[N@@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000157598825 545759782 /nfs/dbraw/zinc/75/97/82/545759782.db2.gz SHAXSIXGWLHJEY-KRWDZBQOSA-N 1 2 370.428 2.376 20 30 FEEDLO C=CCNC(=O)CN1CC[NH+](CCOc2cc(Cl)cc(Cl)c2)CC1 ZINC000158711310 545887541 /nfs/dbraw/zinc/88/75/41/545887541.db2.gz UEKWHVNBKJXFKW-UHFFFAOYSA-N 1 2 372.296 2.292 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)CCOc1ccc(Cl)cc1 ZINC000478220008 561162358 /nfs/dbraw/zinc/16/23/58/561162358.db2.gz NIHMKFPZFXXJPE-UHFFFAOYSA-N 1 2 365.861 2.183 20 30 FEEDLO Cc1cc(C)cc(OCCC(=O)N(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000478228653 561162614 /nfs/dbraw/zinc/16/26/14/561162614.db2.gz YYDGESKUTOALJL-UHFFFAOYSA-N 1 2 359.470 2.147 20 30 FEEDLO CC[N@H+](Cc1ccc(OC)c(OCCCC#N)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000160579521 546053493 /nfs/dbraw/zinc/05/34/93/546053493.db2.gz ITEDYWPCWUVEPJ-MRXNPFEDSA-N 1 2 366.483 2.387 20 30 FEEDLO CC[N@@H+](Cc1ccc(OC)c(OCCCC#N)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000160579521 546053499 /nfs/dbraw/zinc/05/34/99/546053499.db2.gz ITEDYWPCWUVEPJ-MRXNPFEDSA-N 1 2 366.483 2.387 20 30 FEEDLO CC[C@H](C#N)Oc1cc(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)ccc1OC ZINC000161636719 546133053 /nfs/dbraw/zinc/13/30/53/546133053.db2.gz IHZLINFNCBHRRA-HZPDHXFCSA-N 1 2 368.437 2.451 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@H]1C[C@H]1c1cccc(F)c1F ZINC000162595451 546140427 /nfs/dbraw/zinc/14/04/27/546140427.db2.gz AFPSTMFUASUFBE-HOTGVXAUSA-N 1 2 363.408 2.143 20 30 FEEDLO COC(=O)c1coc(CO[NH+]=C(N)c2ccc(N3CCCCC3)nc2)c1 ZINC000171028169 546187103 /nfs/dbraw/zinc/18/71/03/546187103.db2.gz URDORWOYLZPBQU-UHFFFAOYSA-N 1 2 358.398 2.289 20 30 FEEDLO CC[N@H+](CCCNC(=O)CNC(=O)c1ccc(C#N)cc1)c1ccccc1 ZINC000171107350 546190772 /nfs/dbraw/zinc/19/07/72/546190772.db2.gz DCXYPEGAAISOJZ-UHFFFAOYSA-N 1 2 364.449 2.321 20 30 FEEDLO CC[N@@H+](CCCNC(=O)CNC(=O)c1ccc(C#N)cc1)c1ccccc1 ZINC000171107350 546190777 /nfs/dbraw/zinc/19/07/77/546190777.db2.gz DCXYPEGAAISOJZ-UHFFFAOYSA-N 1 2 364.449 2.321 20 30 FEEDLO C[NH+](C)[C@@H](CNC(=O)Nc1ccn(CCC#N)n1)c1c(F)cccc1F ZINC000173338681 546278322 /nfs/dbraw/zinc/27/83/22/546278322.db2.gz ZBYYNGFIYIZCPZ-AWEZNQCLSA-N 1 2 362.384 2.499 20 30 FEEDLO N#C[C@H](c1ccccc1)N1CC[NH+](CCn2cnc3ccccc3c2=O)CC1 ZINC000174576562 546298941 /nfs/dbraw/zinc/29/89/41/546298941.db2.gz UODDIURNYQLWQA-OAQYLSRUSA-N 1 2 373.460 2.279 20 30 FEEDLO COc1ccc([C@@H](CO)[N@H+](C)CCS(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000176243469 546423706 /nfs/dbraw/zinc/42/37/06/546423706.db2.gz IBCZSGOTCJOGTC-LJQANCHMSA-N 1 2 374.462 2.006 20 30 FEEDLO COc1ccc([C@@H](CO)[N@@H+](C)CCS(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000176243469 546423709 /nfs/dbraw/zinc/42/37/09/546423709.db2.gz IBCZSGOTCJOGTC-LJQANCHMSA-N 1 2 374.462 2.006 20 30 FEEDLO CC(C)(C)n1cc(C[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)nn1 ZINC000480305477 561206782 /nfs/dbraw/zinc/20/67/82/561206782.db2.gz DQHDPPXJMDAFFM-QGZVFWFLSA-N 1 2 352.442 2.190 20 30 FEEDLO C=CCn1c(=O)c2ccc(C(=O)N3CCC([C@@H](C)[NH3+])CC3)cc2[nH]c1=S ZINC000178837939 546859417 /nfs/dbraw/zinc/85/94/17/546859417.db2.gz CJQIIGHAXQCHOL-GFCCVEGCSA-N 1 2 372.494 2.071 20 30 FEEDLO COc1ccc(C#N)cc1C[N@@H+]1CCc2c(cccc2NS(C)(=O)=O)C1 ZINC000178923509 546874117 /nfs/dbraw/zinc/87/41/17/546874117.db2.gz KPIYRQMDYNBQKF-UHFFFAOYSA-N 1 2 371.462 2.497 20 30 FEEDLO COc1ccc(C#N)cc1C[N@H+]1CCc2c(cccc2NS(C)(=O)=O)C1 ZINC000178923509 546874120 /nfs/dbraw/zinc/87/41/20/546874120.db2.gz KPIYRQMDYNBQKF-UHFFFAOYSA-N 1 2 371.462 2.497 20 30 FEEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1CC=C(COC)CC1 ZINC000481844011 561243854 /nfs/dbraw/zinc/24/38/54/561243854.db2.gz SBLPCHGSOIINSG-UHFFFAOYSA-N 1 2 374.485 2.230 20 30 FEEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1CC=C(COC)CC1 ZINC000481844011 561243855 /nfs/dbraw/zinc/24/38/55/561243855.db2.gz SBLPCHGSOIINSG-UHFFFAOYSA-N 1 2 374.485 2.230 20 30 FEEDLO C=CCOC[C@H]([NH2+]C1CCN(c2ccc(F)cc2F)CC1)C(=O)OC ZINC000482449199 561254231 /nfs/dbraw/zinc/25/42/31/561254231.db2.gz PJSGQYOSNYTPTJ-INIZCTEOSA-N 1 2 354.397 2.267 20 30 FEEDLO C[C@H]1C[NH+]=C(N2CCN(C(=O)c3ccc(C4(C#N)CC4)cc3)CC2)S1 ZINC000180467618 547113726 /nfs/dbraw/zinc/11/37/26/547113726.db2.gz FQTOWULDWDHXDK-AWEZNQCLSA-N 1 2 354.479 2.491 20 30 FEEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+](C)C[C@H](O)C(F)(F)F ZINC000181257497 547281444 /nfs/dbraw/zinc/28/14/44/547281444.db2.gz DYZDSXAJYTVMSN-FZMZJTMJSA-N 1 2 361.339 2.316 20 30 FEEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+](C)C[C@H](O)C(F)(F)F ZINC000181257497 547281449 /nfs/dbraw/zinc/28/14/49/547281449.db2.gz DYZDSXAJYTVMSN-FZMZJTMJSA-N 1 2 361.339 2.316 20 30 FEEDLO N#CCCCS(=O)(=O)N1CCc2c([nH+]cn2CCc2ccccc2)C1 ZINC000181378929 547303472 /nfs/dbraw/zinc/30/34/72/547303472.db2.gz LCNFUBUBWSDTNS-UHFFFAOYSA-N 1 2 358.467 2.117 20 30 FEEDLO CC[N@@H+](CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)C[C@H](C)C#N ZINC000183169663 547615016 /nfs/dbraw/zinc/61/50/16/547615016.db2.gz HLSRAAZWFBMQNZ-APWZRJJASA-N 1 2 371.460 2.016 20 30 FEEDLO CC[N@H+](CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)C[C@H](C)C#N ZINC000183169663 547615021 /nfs/dbraw/zinc/61/50/21/547615021.db2.gz HLSRAAZWFBMQNZ-APWZRJJASA-N 1 2 371.460 2.016 20 30 FEEDLO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCO[C@@H](COc3ccccc3)C2)cc1 ZINC000484541924 561299508 /nfs/dbraw/zinc/29/95/08/561299508.db2.gz GNYYQXGBNLJEDT-WIYYLYMNSA-N 1 2 368.433 2.078 20 30 FEEDLO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCO[C@@H](COc3ccccc3)C2)cc1 ZINC000484541924 561299509 /nfs/dbraw/zinc/29/95/09/561299509.db2.gz GNYYQXGBNLJEDT-WIYYLYMNSA-N 1 2 368.433 2.078 20 30 FEEDLO CSCC[C@@H]([NH2+]CC(=O)N[C@](C)(C#N)C(C)C)c1nnc2ccccn21 ZINC000184599140 547852433 /nfs/dbraw/zinc/85/24/33/547852433.db2.gz QUBSRAFRVGTKNR-RDTXWAMCSA-N 1 2 374.514 2.168 20 30 FEEDLO C[C@@H](C(=O)N(CCC#N)CC[NH+]1CCOCC1)c1cn(C)c2ccccc12 ZINC000185242222 547958713 /nfs/dbraw/zinc/95/87/13/547958713.db2.gz QCMUMEULHIRCSD-QGZVFWFLSA-N 1 2 368.481 2.356 20 30 FEEDLO CN(C)c1noc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)n1 ZINC000186413893 548132232 /nfs/dbraw/zinc/13/22/32/548132232.db2.gz AWNAYZRXEPHHNZ-UHFFFAOYSA-N 1 2 351.414 2.203 20 30 FEEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC(O)(c2c(F)cccc2F)CC1 ZINC000186496878 548143780 /nfs/dbraw/zinc/14/37/80/548143780.db2.gz KXNHQOMEFFSTDA-AWEZNQCLSA-N 1 2 365.424 2.256 20 30 FEEDLO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000188033591 548269120 /nfs/dbraw/zinc/26/91/20/548269120.db2.gz QVEWPKQJKNIZQD-UHFFFAOYSA-N 1 2 373.497 2.268 20 30 FEEDLO C=C[C@@](C)(CCOC)C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000188100004 548271515 /nfs/dbraw/zinc/27/15/15/548271515.db2.gz RNQPAOOHYVVCCA-NRFANRHFSA-N 1 2 373.497 2.435 20 30 FEEDLO C[C@@H]1C[N@@H+](CCN(C)C(=O)C(C)(C)Oc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000194763795 548528253 /nfs/dbraw/zinc/52/82/53/548528253.db2.gz JZWNJNGVCRZMTL-IYBDPMFKSA-N 1 2 359.470 2.283 20 30 FEEDLO C[C@@H]1C[N@H+](CCN(C)C(=O)C(C)(C)Oc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000194763795 548528255 /nfs/dbraw/zinc/52/82/55/548528255.db2.gz JZWNJNGVCRZMTL-IYBDPMFKSA-N 1 2 359.470 2.283 20 30 FEEDLO CCn1cc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)c2ccccc21 ZINC000195147850 548584626 /nfs/dbraw/zinc/58/46/26/548584626.db2.gz WTSFQSLIAHWNRT-UHFFFAOYSA-N 1 2 354.454 2.349 20 30 FEEDLO N#Cc1c(N)n[nH]c1CCCNc1cc(N2CCc3ccccc32)nc[nH+]1 ZINC000487896888 561378120 /nfs/dbraw/zinc/37/81/20/561378120.db2.gz LMEFOQQNBZULMR-UHFFFAOYSA-N 1 2 360.425 2.392 20 30 FEEDLO Cc1nc(N2CC[NH+](CC(=O)NC3CCC(C)CC3)CC2)ccc1C#N ZINC000488056013 561382396 /nfs/dbraw/zinc/38/23/96/561382396.db2.gz XZLBZVCMYXISPJ-UHFFFAOYSA-N 1 2 355.486 2.079 20 30 FEEDLO CCOC(=O)c1ccc(N2CCC[N@H+](C[C@@H](C#N)CCC#N)CC2)nc1 ZINC000245934422 549023848 /nfs/dbraw/zinc/02/38/48/549023848.db2.gz KIJHENAAHMHWMS-MRXNPFEDSA-N 1 2 355.442 2.214 20 30 FEEDLO CCOC(=O)c1ccc(N2CCC[N@@H+](C[C@@H](C#N)CCC#N)CC2)nc1 ZINC000245934422 549023853 /nfs/dbraw/zinc/02/38/53/549023853.db2.gz KIJHENAAHMHWMS-MRXNPFEDSA-N 1 2 355.442 2.214 20 30 FEEDLO CCCC(=O)NC[C@H]1CCC[N@@H+]([C@@H](C(=O)OC)c2cccc(C#N)c2)C1 ZINC000246523057 549151780 /nfs/dbraw/zinc/15/17/80/549151780.db2.gz RIWZHJZLYAZTQL-VQIMIIECSA-N 1 2 357.454 2.401 20 30 FEEDLO CCCC(=O)NC[C@H]1CCC[N@H+]([C@@H](C(=O)OC)c2cccc(C#N)c2)C1 ZINC000246523057 549151783 /nfs/dbraw/zinc/15/17/83/549151783.db2.gz RIWZHJZLYAZTQL-VQIMIIECSA-N 1 2 357.454 2.401 20 30 FEEDLO Cc1sc(NC(=O)C[N@@H+]2CCS[C@H]3COCC[C@H]32)c(C#N)c1C ZINC000246760539 549206933 /nfs/dbraw/zinc/20/69/33/549206933.db2.gz HRLPHQYCFYNVFF-KGLIPLIRSA-N 1 2 351.497 2.381 20 30 FEEDLO Cc1sc(NC(=O)C[N@H+]2CCS[C@H]3COCC[C@H]32)c(C#N)c1C ZINC000246760539 549206938 /nfs/dbraw/zinc/20/69/38/549206938.db2.gz HRLPHQYCFYNVFF-KGLIPLIRSA-N 1 2 351.497 2.381 20 30 FEEDLO COC(=O)c1cc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@H]2C)c(C)s1 ZINC000246997442 549259770 /nfs/dbraw/zinc/25/97/70/549259770.db2.gz GTDAGGABFGPKIX-GFCCVEGCSA-N 1 2 371.466 2.216 20 30 FEEDLO COC(=O)c1cc(C[N@H+]2CCN(c3nccnc3C#N)C[C@H]2C)c(C)s1 ZINC000246997442 549259774 /nfs/dbraw/zinc/25/97/74/549259774.db2.gz GTDAGGABFGPKIX-GFCCVEGCSA-N 1 2 371.466 2.216 20 30 FEEDLO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000248875703 549519242 /nfs/dbraw/zinc/51/92/42/549519242.db2.gz VWTKJZHSLJHDQL-WDYCEAGBSA-N 1 2 355.438 2.207 20 30 FEEDLO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000248875703 549519243 /nfs/dbraw/zinc/51/92/43/549519243.db2.gz VWTKJZHSLJHDQL-WDYCEAGBSA-N 1 2 355.438 2.207 20 30 FEEDLO CC(=O)N[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000249683469 549615058 /nfs/dbraw/zinc/61/50/58/549615058.db2.gz IQUWVVYSEWEERW-DGCLKSJQSA-N 1 2 360.483 2.036 20 30 FEEDLO CC(=O)N[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000249683469 549615061 /nfs/dbraw/zinc/61/50/61/549615061.db2.gz IQUWVVYSEWEERW-DGCLKSJQSA-N 1 2 360.483 2.036 20 30 FEEDLO Cc1oc(NC(=O)C[N@H+]2CCC[C@H](CNC(=O)C(C)C)C2)c(C#N)c1C ZINC000263787846 549937333 /nfs/dbraw/zinc/93/73/33/549937333.db2.gz WRGSJRNAFJVGMY-OAHLLOKOSA-N 1 2 360.458 2.191 20 30 FEEDLO Cc1oc(NC(=O)C[N@@H+]2CCC[C@H](CNC(=O)C(C)C)C2)c(C#N)c1C ZINC000263787846 549937336 /nfs/dbraw/zinc/93/73/36/549937336.db2.gz WRGSJRNAFJVGMY-OAHLLOKOSA-N 1 2 360.458 2.191 20 30 FEEDLO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CC[S@](=O)[C@H](C)[C@H]2C)c(OC)c1 ZINC000265652217 550012709 /nfs/dbraw/zinc/01/27/09/550012709.db2.gz VMBATPHOGIDTQR-MBAJFKDKSA-N 1 2 367.511 2.005 20 30 FEEDLO C=CCc1ccc(OC[C@H](O)C[N@H+]2CC[S@](=O)[C@H](C)[C@H]2C)c(OC)c1 ZINC000265652217 550012711 /nfs/dbraw/zinc/01/27/11/550012711.db2.gz VMBATPHOGIDTQR-MBAJFKDKSA-N 1 2 367.511 2.005 20 30 FEEDLO C=CCc1ccc(OC[C@H](O)C[NH2+]C(C)(C)C(=O)OCC)c(OC)c1 ZINC000266012417 550015990 /nfs/dbraw/zinc/01/59/90/550015990.db2.gz SODTUAGESKANPX-OAHLLOKOSA-N 1 2 351.443 2.095 20 30 FEEDLO COc1ccc(NC(=O)[C@@H](C)O[NH+]=C(N)[C@H](C)OCC(C)C)cc1OC ZINC000266225146 550018538 /nfs/dbraw/zinc/01/85/38/550018538.db2.gz SFZUKTUQMLPMDU-QWHCGFSZSA-N 1 2 367.446 2.381 20 30 FEEDLO COc1ccccc1-c1noc([C@H](C)[NH2+][C@@H](C)C(=O)N(C)CCC#N)n1 ZINC000266576067 550021609 /nfs/dbraw/zinc/02/16/09/550021609.db2.gz LHIVLZKJBVTFED-STQMWFEESA-N 1 2 357.414 2.156 20 30 FEEDLO CCN(CC)C(=O)C[N@H+](C)[C@@H](C)C(=O)N(CCC#N)c1ccccc1OC ZINC000266661769 550022715 /nfs/dbraw/zinc/02/27/15/550022715.db2.gz LYHUWMZVJUKPNZ-INIZCTEOSA-N 1 2 374.485 2.131 20 30 FEEDLO CCN(CC)C(=O)C[N@@H+](C)[C@@H](C)C(=O)N(CCC#N)c1ccccc1OC ZINC000266661769 550022719 /nfs/dbraw/zinc/02/27/19/550022719.db2.gz LYHUWMZVJUKPNZ-INIZCTEOSA-N 1 2 374.485 2.131 20 30 FEEDLO C[C@H]1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000491582079 561446737 /nfs/dbraw/zinc/44/67/37/561446737.db2.gz TZFMUELSKDPQGH-BLLLJJGKSA-N 1 2 371.828 2.456 20 30 FEEDLO CC1(C2CC[NH+]([C@H]3CCN(c4sccc4C#N)C3=O)CC2)OCCO1 ZINC000268505993 550077822 /nfs/dbraw/zinc/07/78/22/550077822.db2.gz WKZOSINDGLZVNP-HNNXBMFYSA-N 1 2 361.467 2.200 20 30 FEEDLO N#CCc1ccc(C(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)cc1 ZINC000270410429 550270212 /nfs/dbraw/zinc/27/02/12/550270212.db2.gz HSDWMBDXNOVUFK-NRFANRHFSA-N 1 2 363.461 2.426 20 30 FEEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CCCC2(C1)OCCO2 ZINC000270586167 550286647 /nfs/dbraw/zinc/28/66/47/550286647.db2.gz RZCRLQOFQPCIEG-INIZCTEOSA-N 1 2 373.453 2.169 20 30 FEEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1CCCC2(C1)OCCO2 ZINC000270586167 550286650 /nfs/dbraw/zinc/28/66/50/550286650.db2.gz RZCRLQOFQPCIEG-INIZCTEOSA-N 1 2 373.453 2.169 20 30 FEEDLO C=CCc1cc(C[NH+]2CCN(C(=O)c3ccccn3)CC2)cc(OC)c1O ZINC000271062232 550336610 /nfs/dbraw/zinc/33/66/10/550336610.db2.gz GJDWGRPHFLQUEI-UHFFFAOYSA-N 1 2 367.449 2.482 20 30 FEEDLO C#CCCN1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC1 ZINC000271995574 550415050 /nfs/dbraw/zinc/41/50/50/550415050.db2.gz FXLMABJIDDDBIJ-UHFFFAOYSA-N 1 2 370.522 2.468 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)CN1CCc2c([nH+]cn2-c2ccc(F)cc2)C1 ZINC000272762589 550469258 /nfs/dbraw/zinc/46/92/58/550469258.db2.gz PCONZBYTEOEWGH-FQEVSTJZSA-N 1 2 369.444 2.424 20 30 FEEDLO CCC[N@H+](CC(=O)Nc1ccccc1OC)[C@H](C)C(=O)N(C)CCC#N ZINC000274074144 550522076 /nfs/dbraw/zinc/52/20/76/550522076.db2.gz KNPMMPWHWZEUTP-OAHLLOKOSA-N 1 2 360.458 2.106 20 30 FEEDLO CCC[N@@H+](CC(=O)Nc1ccccc1OC)[C@H](C)C(=O)N(C)CCC#N ZINC000274074144 550522078 /nfs/dbraw/zinc/52/20/78/550522078.db2.gz KNPMMPWHWZEUTP-OAHLLOKOSA-N 1 2 360.458 2.106 20 30 FEEDLO COc1ccc(C[N@@H+]2CCC[C@@H](S(C)(=O)=O)C2)cc1OCCCC#N ZINC000274156756 550525512 /nfs/dbraw/zinc/52/55/12/550525512.db2.gz UCXBEMHIENIBAI-MRXNPFEDSA-N 1 2 366.483 2.387 20 30 FEEDLO COc1ccc(C[N@H+]2CCC[C@@H](S(C)(=O)=O)C2)cc1OCCCC#N ZINC000274156756 550525514 /nfs/dbraw/zinc/52/55/14/550525514.db2.gz UCXBEMHIENIBAI-MRXNPFEDSA-N 1 2 366.483 2.387 20 30 FEEDLO CCn1nc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@H]2C)c2ccccc21 ZINC000274439616 550537802 /nfs/dbraw/zinc/53/78/02/550537802.db2.gz BOGUZWIPHCQOHI-OAHLLOKOSA-N 1 2 361.453 2.429 20 30 FEEDLO CCn1nc(C[N@H+]2CCN(c3nccnc3C#N)C[C@H]2C)c2ccccc21 ZINC000274439616 550537804 /nfs/dbraw/zinc/53/78/04/550537804.db2.gz BOGUZWIPHCQOHI-OAHLLOKOSA-N 1 2 361.453 2.429 20 30 FEEDLO C=C(C)CN(CC)C(=O)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000275379582 550572007 /nfs/dbraw/zinc/57/20/07/550572007.db2.gz CVZPUMUSMHWXPR-INIZCTEOSA-N 1 2 359.470 2.443 20 30 FEEDLO Cn1c2c([nH+]c1[C@H]1CCCN1CC(=O)N[C@@](C)(C#N)C1CC1)CCCC2 ZINC000275569608 550572942 /nfs/dbraw/zinc/57/29/42/550572942.db2.gz FFRUBXQRFZIFLJ-XLIONFOSSA-N 1 2 355.486 2.244 20 30 FEEDLO CCN(CCC#N)C(=O)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000275777088 550574325 /nfs/dbraw/zinc/57/43/25/550574325.db2.gz WORJZRPODZXENZ-UHFFFAOYSA-N 1 2 363.421 2.302 20 30 FEEDLO C#CCN(C(=O)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)C1CC1 ZINC000276078074 550576586 /nfs/dbraw/zinc/57/65/86/550576586.db2.gz DJFSFJAOJFZHIX-UHFFFAOYSA-N 1 2 362.433 2.449 20 30 FEEDLO Cc1cc(S(=O)(=O)N(C)Cc2[nH+]ccn2CC(F)(F)F)ccc1C#N ZINC000278013254 550738954 /nfs/dbraw/zinc/73/89/54/550738954.db2.gz OIRDQJXPXIVQDM-UHFFFAOYSA-N 1 2 372.372 2.446 20 30 FEEDLO N#CC1(NC(=O)C[NH+]2CCC(Oc3ncccc3F)CC2)CCCCC1 ZINC000278048719 550742987 /nfs/dbraw/zinc/74/29/87/550742987.db2.gz DCTXTAWYGIRYJA-UHFFFAOYSA-N 1 2 360.433 2.407 20 30 FEEDLO C#CCn1ccc(C[N@@H+](CC)[C@@H](C)C(=O)NC(=O)Nc2ccccc2)n1 ZINC000279657592 550913379 /nfs/dbraw/zinc/91/33/79/550913379.db2.gz CIRABGLXJPNWQJ-HNNXBMFYSA-N 1 2 353.426 2.075 20 30 FEEDLO C#CCn1ccc(C[N@H+](CC)[C@@H](C)C(=O)NC(=O)Nc2ccccc2)n1 ZINC000279657592 550913380 /nfs/dbraw/zinc/91/33/80/550913380.db2.gz CIRABGLXJPNWQJ-HNNXBMFYSA-N 1 2 353.426 2.075 20 30 FEEDLO C#CCn1ccc(C[N@@H+](CC)[C@H](C)C(=O)N[C@H]2CCOc3ccccc32)n1 ZINC000279668527 550914764 /nfs/dbraw/zinc/91/47/64/550914764.db2.gz DWTLSVVPMQMJOY-APWZRJJASA-N 1 2 366.465 2.367 20 30 FEEDLO C#CCn1ccc(C[N@H+](CC)[C@H](C)C(=O)N[C@H]2CCOc3ccccc32)n1 ZINC000279668527 550914766 /nfs/dbraw/zinc/91/47/66/550914766.db2.gz DWTLSVVPMQMJOY-APWZRJJASA-N 1 2 366.465 2.367 20 30 FEEDLO CC[C@H]1C[N@H+](CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)CCCO1 ZINC000281217283 551074756 /nfs/dbraw/zinc/07/47/56/551074756.db2.gz BLTIEJPDDLSWRR-ZFWWWQNUSA-N 1 2 354.410 2.013 20 30 FEEDLO CC[C@H]1C[N@@H+](CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)CCCO1 ZINC000281217283 551074758 /nfs/dbraw/zinc/07/47/58/551074758.db2.gz BLTIEJPDDLSWRR-ZFWWWQNUSA-N 1 2 354.410 2.013 20 30 FEEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)Nc2ccc(N3CCCCC3)cc2)C1=O ZINC000281219709 551075167 /nfs/dbraw/zinc/07/51/67/551075167.db2.gz DSLXXHWMZONTAL-LJQANCHMSA-N 1 2 370.497 2.334 20 30 FEEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccc(N3CCCCC3)cc2)C1=O ZINC000281219709 551075169 /nfs/dbraw/zinc/07/51/69/551075169.db2.gz DSLXXHWMZONTAL-LJQANCHMSA-N 1 2 370.497 2.334 20 30 FEEDLO C=CCn1c(-c2ccccn2)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC000282441271 551229369 /nfs/dbraw/zinc/22/93/69/551229369.db2.gz ZKJFFHSJDAGFCF-UHFFFAOYSA-N 1 2 365.441 2.145 20 30 FEEDLO Cc1[nH]c(C=O)cc1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000283114718 551313671 /nfs/dbraw/zinc/31/36/71/551313671.db2.gz YHIYRFQCJTWPDM-UHFFFAOYSA-N 1 2 350.422 2.355 20 30 FEEDLO Cc1[nH]c(C=O)cc1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000283114718 551313673 /nfs/dbraw/zinc/31/36/73/551313673.db2.gz YHIYRFQCJTWPDM-UHFFFAOYSA-N 1 2 350.422 2.355 20 30 FEEDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)C(=O)NCc1cccc(C#N)c1 ZINC000283498070 551377024 /nfs/dbraw/zinc/37/70/24/551377024.db2.gz ALWHIUVNBPLPIH-QGZVFWFLSA-N 1 2 365.437 2.145 20 30 FEEDLO C[C@@H](O[NH+]=C(N)[C@H]1CCCO1)C(=O)Nc1cccc(Br)c1 ZINC000284378389 551536847 /nfs/dbraw/zinc/53/68/47/551536847.db2.gz LWZCSNKMUXECKA-BXKDBHETSA-N 1 2 356.220 2.244 20 30 FEEDLO Cc1onc(CC(=O)N2CC[NH+](Cc3cccc(Cl)c3)CC2)c1C#N ZINC000498529012 561526976 /nfs/dbraw/zinc/52/69/76/561526976.db2.gz WYBQJVFTCVEOGD-UHFFFAOYSA-N 1 2 358.829 2.395 20 30 FEEDLO COc1cc(C#N)ccc1C[N@@H+]1CCN(C)[C@@H](c2nc(C3CC3)no2)C1 ZINC000284811984 551639507 /nfs/dbraw/zinc/63/95/07/551639507.db2.gz IXZMQLDETPFSDJ-MRXNPFEDSA-N 1 2 353.426 2.316 20 30 FEEDLO COc1cc(C#N)ccc1C[N@H+]1CCN(C)[C@@H](c2nc(C3CC3)no2)C1 ZINC000284811984 551639509 /nfs/dbraw/zinc/63/95/09/551639509.db2.gz IXZMQLDETPFSDJ-MRXNPFEDSA-N 1 2 353.426 2.316 20 30 FEEDLO COc1ccccc1O[C@H]1CCC[N@H+](CC(=O)N[C@](C)(C#N)C2CC2)C1 ZINC000286331177 551875422 /nfs/dbraw/zinc/87/54/22/551875422.db2.gz FYCBNLWBEKZLCO-OXJNMPFZSA-N 1 2 357.454 2.347 20 30 FEEDLO COc1ccccc1O[C@H]1CCC[N@@H+](CC(=O)N[C@](C)(C#N)C2CC2)C1 ZINC000286331177 551875423 /nfs/dbraw/zinc/87/54/23/551875423.db2.gz FYCBNLWBEKZLCO-OXJNMPFZSA-N 1 2 357.454 2.347 20 30 FEEDLO C=CCN1CC[C@H]([N@H+]2CCCC[C@H]2c2nnc(CC(F)(F)F)o2)C1=O ZINC000287217046 551977279 /nfs/dbraw/zinc/97/72/79/551977279.db2.gz FGHNAMQZYANHCP-RYUDHWBXSA-N 1 2 358.364 2.488 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+]2CCCC[C@H]2c2nnc(CC(F)(F)F)o2)C1=O ZINC000287217046 551977281 /nfs/dbraw/zinc/97/72/81/551977281.db2.gz FGHNAMQZYANHCP-RYUDHWBXSA-N 1 2 358.364 2.488 20 30 FEEDLO C=CCCCCCCNC(=O)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000288354136 552139068 /nfs/dbraw/zinc/13/90/68/552139068.db2.gz VUFPJTWVSNKOEI-UHFFFAOYSA-N 1 2 374.485 2.418 20 30 FEEDLO C#C[C@@H](NC(=O)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1)C(C)(C)C ZINC000288483104 552160800 /nfs/dbraw/zinc/16/08/00/552160800.db2.gz SUANIWOSCYFGQP-MAUKXSAKSA-N 1 2 371.481 2.182 20 30 FEEDLO CC[NH+]1CCN(c2ccc(NS(=O)(=O)c3ccc(C#N)o3)c(C)c2)CC1 ZINC000288593739 552181637 /nfs/dbraw/zinc/18/16/37/552181637.db2.gz NFTHRNFOEQZSRP-UHFFFAOYSA-N 1 2 374.466 2.402 20 30 FEEDLO N#CC1(NC(=O)C[NH2+][C@H](CO)c2cccc(Cl)c2F)CCCCC1 ZINC000499967819 561563226 /nfs/dbraw/zinc/56/32/26/561563226.db2.gz WJQHSIIAHJLRON-CQSZACIVSA-N 1 2 353.825 2.445 20 30 FEEDLO C=CC[N@@H+](Cc1ccc(COCCOC)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000289242416 552287846 /nfs/dbraw/zinc/28/78/46/552287846.db2.gz ZRGRZVOLRXZBNC-SFHVURJKSA-N 1 2 353.484 2.025 20 30 FEEDLO C=CC[N@H+](Cc1ccc(COCCOC)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000289242416 552287848 /nfs/dbraw/zinc/28/78/48/552287848.db2.gz ZRGRZVOLRXZBNC-SFHVURJKSA-N 1 2 353.484 2.025 20 30 FEEDLO N#Cc1ccc(Br)c(C[N@H+]2CCC[C@H](c3nc(=O)[nH][nH]3)C2)c1 ZINC000289504626 552332110 /nfs/dbraw/zinc/33/21/10/552332110.db2.gz UMJMBUHHJKYLPA-NSHDSACASA-N 1 2 362.231 2.112 20 30 FEEDLO N#Cc1ccc(Br)c(C[N@@H+]2CCC[C@H](c3nc(=O)[nH][nH]3)C2)c1 ZINC000289504626 552332107 /nfs/dbraw/zinc/33/21/07/552332107.db2.gz UMJMBUHHJKYLPA-NSHDSACASA-N 1 2 362.231 2.112 20 30 FEEDLO C=CCCCN(C)C(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000289513293 552333882 /nfs/dbraw/zinc/33/38/82/552333882.db2.gz CLFSTJMTPKGXIB-DLBZAZTESA-N 1 2 365.424 2.251 20 30 FEEDLO C=CCCCN(C)C(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000289513293 552333885 /nfs/dbraw/zinc/33/38/85/552333885.db2.gz CLFSTJMTPKGXIB-DLBZAZTESA-N 1 2 365.424 2.251 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@H](c3ccccc3F)C2)nc1 ZINC000290450701 552480712 /nfs/dbraw/zinc/48/07/12/552480712.db2.gz WBMSDTLGSQTHCU-HNNXBMFYSA-N 1 2 359.426 2.356 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@H](c3ccccc3F)C2)nc1 ZINC000290450701 552480714 /nfs/dbraw/zinc/48/07/14/552480714.db2.gz WBMSDTLGSQTHCU-HNNXBMFYSA-N 1 2 359.426 2.356 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000291111640 552588175 /nfs/dbraw/zinc/58/81/75/552588175.db2.gz KLJRRXIFKLOCSZ-KRWDZBQOSA-N 1 2 371.403 2.287 20 30 FEEDLO C[C@@H](NC(=O)C[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1)c1cccs1 ZINC000292055730 552688883 /nfs/dbraw/zinc/68/88/83/552688883.db2.gz BQOZGMLQQUJEJX-HIFRSBDPSA-N 1 2 356.451 2.345 20 30 FEEDLO C[C@@H](NC(=O)C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1)c1cccs1 ZINC000292055730 552688885 /nfs/dbraw/zinc/68/88/85/552688885.db2.gz BQOZGMLQQUJEJX-HIFRSBDPSA-N 1 2 356.451 2.345 20 30 FEEDLO CN(C)c1cc(C#N)cc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000293023092 552781608 /nfs/dbraw/zinc/78/16/08/552781608.db2.gz KRFKNVNPBIONEJ-UHFFFAOYSA-N 1 2 373.460 2.454 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCN([C@H](C)c3ccc(F)cc3)C2=O)C1=O ZINC000294101716 552882048 /nfs/dbraw/zinc/88/20/48/552882048.db2.gz MLHSGAIDPVNAPV-JLSDUUJJSA-N 1 2 359.445 2.206 20 30 FEEDLO C=CCN1CC[C@H]([N@H+](C)[C@H]2CCN([C@H](C)c3ccc(F)cc3)C2=O)C1=O ZINC000294101716 552882050 /nfs/dbraw/zinc/88/20/50/552882050.db2.gz MLHSGAIDPVNAPV-JLSDUUJJSA-N 1 2 359.445 2.206 20 30 FEEDLO N#Cc1cc(F)ccc1CS(=O)(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000294266891 552892530 /nfs/dbraw/zinc/89/25/30/552892530.db2.gz FSRFSPZZHVSWQA-UHFFFAOYSA-N 1 2 374.441 2.312 20 30 FEEDLO CCOCC[NH+]1CCN(C(=O)c2ccc(Br)cc2C#N)CC1 ZINC000294712388 552928559 /nfs/dbraw/zinc/92/85/59/552928559.db2.gz UMBSGKKKDJVIRU-UHFFFAOYSA-N 1 2 366.259 2.115 20 30 FEEDLO N#Cc1cc(Br)cnc1N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000295035673 552952961 /nfs/dbraw/zinc/95/29/61/552952961.db2.gz NJUBKKNIZYILFM-CQSZACIVSA-N 1 2 351.248 2.017 20 30 FEEDLO C=CCn1c([C@H]2CCCCO2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000295919055 553075746 /nfs/dbraw/zinc/07/57/46/553075746.db2.gz JSMCWNRNYOJXMC-MRXNPFEDSA-N 1 2 354.458 2.427 20 30 FEEDLO N#Cc1cnc(NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)c([N+](=O)[O-])c1 ZINC000296544013 553177014 /nfs/dbraw/zinc/17/70/14/553177014.db2.gz OCJHVWARODOFRJ-INIZCTEOSA-N 1 2 353.382 2.174 20 30 FEEDLO N#Cc1cnc(NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c([N+](=O)[O-])c1 ZINC000296544013 553177015 /nfs/dbraw/zinc/17/70/15/553177015.db2.gz OCJHVWARODOFRJ-INIZCTEOSA-N 1 2 353.382 2.174 20 30 FEEDLO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CC[C@H](OC(=O)N(C)C)C2)cc1 ZINC000296590640 553183954 /nfs/dbraw/zinc/18/39/54/553183954.db2.gz FLSSKBDCISOUCX-AEFFLSMTSA-N 1 2 372.469 2.403 20 30 FEEDLO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CC[C@H](OC(=O)N(C)C)C2)cc1 ZINC000296590640 553183957 /nfs/dbraw/zinc/18/39/57/553183957.db2.gz FLSSKBDCISOUCX-AEFFLSMTSA-N 1 2 372.469 2.403 20 30 FEEDLO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CC[S@](=O)CC2(C)C)c(OC)c1 ZINC000502915007 561629899 /nfs/dbraw/zinc/62/98/99/561629899.db2.gz RWIKJZJZNLHLHW-LMKMVOKYSA-N 1 2 367.511 2.006 20 30 FEEDLO C=CCc1ccc(OC[C@@H](O)C[N@H+]2CC[S@](=O)CC2(C)C)c(OC)c1 ZINC000502915007 561629900 /nfs/dbraw/zinc/62/99/00/561629900.db2.gz RWIKJZJZNLHLHW-LMKMVOKYSA-N 1 2 367.511 2.006 20 30 FEEDLO N#CC[C@@H]1CC[C@H](NC(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)C1 ZINC000297304582 553275875 /nfs/dbraw/zinc/27/58/75/553275875.db2.gz QNQSNSAGEONFQV-UFYCRDLUSA-N 1 2 370.497 2.311 20 30 FEEDLO C=CCCCCCN(C)C(=O)C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000297599955 553314083 /nfs/dbraw/zinc/31/40/83/553314083.db2.gz CYQQTMOQYQSUMC-SFHVURJKSA-N 1 2 372.513 2.492 20 30 FEEDLO COc1cc[nH+]cc1CNC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 ZINC000298007739 553370111 /nfs/dbraw/zinc/37/01/11/553370111.db2.gz OLJJELFMJMWIEF-SFHVURJKSA-N 1 2 365.437 2.010 20 30 FEEDLO C#CCOc1cc(F)ccc1NC(=O)N[C@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000298532591 553436946 /nfs/dbraw/zinc/43/69/46/553436946.db2.gz SFHWHTKUBHDONE-MRXNPFEDSA-N 1 2 374.416 2.453 20 30 FEEDLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)c2ccc(C#N)o2)CC1 ZINC000504099100 561653197 /nfs/dbraw/zinc/65/31/97/561653197.db2.gz UTALRPAAWDMKJM-UHFFFAOYSA-N 1 2 352.394 2.068 20 30 FEEDLO N#Cc1ccc(CNC(=O)C[N@@H+](Cc2ccco2)C[C@H]2CCCO2)cc1 ZINC000299144306 553521238 /nfs/dbraw/zinc/52/12/38/553521238.db2.gz VAOFGAYZQYYXTQ-LJQANCHMSA-N 1 2 353.422 2.449 20 30 FEEDLO N#Cc1ccc(CNC(=O)C[N@H+](Cc2ccco2)C[C@H]2CCCO2)cc1 ZINC000299144306 553521242 /nfs/dbraw/zinc/52/12/42/553521242.db2.gz VAOFGAYZQYYXTQ-LJQANCHMSA-N 1 2 353.422 2.449 20 30 FEEDLO COCc1cnc(C[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)s1 ZINC000503947685 561650522 /nfs/dbraw/zinc/65/05/22/561650522.db2.gz UJQJJYHTDGKILG-MRXNPFEDSA-N 1 2 356.451 2.446 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)CCCOc1cccc(F)c1 ZINC000299498691 553571899 /nfs/dbraw/zinc/57/18/99/553571899.db2.gz FPIIXGRUJHORMJ-UHFFFAOYSA-N 1 2 363.433 2.059 20 30 FEEDLO CCOc1ccc(CCC(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1 ZINC000299529878 553576542 /nfs/dbraw/zinc/57/65/42/553576542.db2.gz NQZUFBPRCCDFPM-UHFFFAOYSA-N 1 2 359.470 2.092 20 30 FEEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCN(c2ccc(C(=O)OC)cc2)C[C@@H]1C ZINC000504476730 561658732 /nfs/dbraw/zinc/65/87/32/561658732.db2.gz HTXPSXNTJUCWPI-KRWDZBQOSA-N 1 2 373.497 2.408 20 30 FEEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCN(c2ccc(C(=O)OC)cc2)C[C@@H]1C ZINC000504476730 561658733 /nfs/dbraw/zinc/65/87/33/561658733.db2.gz HTXPSXNTJUCWPI-KRWDZBQOSA-N 1 2 373.497 2.408 20 30 FEEDLO CC(C)NC(=O)C[NH+]1CCN(c2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000301331081 553642802 /nfs/dbraw/zinc/64/28/02/553642802.db2.gz LJEJJRAEXJRGTI-UHFFFAOYSA-N 1 2 354.376 2.224 20 30 FEEDLO Cn1cc(C#N)c(=NC(=O)N2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)[nH]1 ZINC000602879621 553658230 /nfs/dbraw/zinc/65/82/30/553658230.db2.gz CSFNQCZTNIVAEV-UHFFFAOYSA-N 1 2 363.425 2.123 20 30 FEEDLO Cc1ccc(N2CC[NH+](CC(=O)N[C@@H]3CCC[C@H](C)C3)CC2)nc1C#N ZINC000302640019 553723491 /nfs/dbraw/zinc/72/34/91/553723491.db2.gz LASPGDGKFVXQIK-DOTOQJQBSA-N 1 2 355.486 2.079 20 30 FEEDLO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000321645000 553766998 /nfs/dbraw/zinc/76/69/98/553766998.db2.gz BMGBEOIMEAICBZ-OCCSQVGLSA-N 1 2 353.875 2.459 20 30 FEEDLO C[C@@H]1C[N@H+]2CCCC[C@H]2CN1S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000321645000 553767000 /nfs/dbraw/zinc/76/70/00/553767000.db2.gz BMGBEOIMEAICBZ-OCCSQVGLSA-N 1 2 353.875 2.459 20 30 FEEDLO Cn1cc(C#N)cc1C(=O)N1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000328631667 553799670 /nfs/dbraw/zinc/79/96/70/553799670.db2.gz RGGUHKHPNGQVNP-INIZCTEOSA-N 1 2 365.437 2.185 20 30 FEEDLO Cc1n[nH]cc1CNC(=O)N1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000328640125 553800735 /nfs/dbraw/zinc/80/07/35/553800735.db2.gz XDYNPQOCGKXHBS-MRXNPFEDSA-N 1 2 370.457 2.281 20 30 FEEDLO C[N@@H+]1CCO[C@H]2CCN(C(=O)Nc3ncc(C(F)(F)F)s3)C[C@H]21 ZINC000328936022 553848399 /nfs/dbraw/zinc/84/83/99/553848399.db2.gz ANMBWDFDERBWPY-BDAKNGLRSA-N 1 2 350.366 2.112 20 30 FEEDLO C[N@H+]1CCO[C@H]2CCN(C(=O)Nc3ncc(C(F)(F)F)s3)C[C@H]21 ZINC000328936022 553848402 /nfs/dbraw/zinc/84/84/02/553848402.db2.gz ANMBWDFDERBWPY-BDAKNGLRSA-N 1 2 350.366 2.112 20 30 FEEDLO CC(C)n1nccc1[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000329047154 553871301 /nfs/dbraw/zinc/87/13/01/553871301.db2.gz VIMIMVRTHHVVGB-BFYDXBDKSA-N 1 2 350.463 2.219 20 30 FEEDLO CC(C)n1nccc1[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000329047154 553871305 /nfs/dbraw/zinc/87/13/05/553871305.db2.gz VIMIMVRTHHVVGB-BFYDXBDKSA-N 1 2 350.463 2.219 20 30 FEEDLO CCn1cc[nH+]c1[C@H](NC(=O)[C@@H]1CCCCS1(=O)=O)C1CCOCC1 ZINC000329074205 553875548 /nfs/dbraw/zinc/87/55/48/553875548.db2.gz BGMQYBJPHFTSTJ-LSDHHAIUSA-N 1 2 369.487 2.295 20 30 FEEDLO Cn1cc[nH+]c1[C@H](NC(=O)N[C@@H]1CCC[C@@H]2OCC[C@H]21)C1CCOCC1 ZINC000329077303 553876079 /nfs/dbraw/zinc/87/60/79/553876079.db2.gz QANXCSKFGFCHPP-VVLHAWIVSA-N 1 2 362.474 2.349 20 30 FEEDLO Cc1nc2n(n1)C[C@@H]([NH+]=C([O-])N1CCC(Cc3ccc[nH+]c3)CC1)CC2 ZINC000329105275 553881541 /nfs/dbraw/zinc/88/15/41/553881541.db2.gz GYQHFFCBOWCBKT-KRWDZBQOSA-N 1 2 354.458 2.165 20 30 FEEDLO O=C(NCc1cn2c([nH+]1)CCCC2)N[C@@H]1CC(=O)N(C2CCCCC2)C1 ZINC000329145699 553889075 /nfs/dbraw/zinc/88/90/75/553889075.db2.gz NWXVYFMHTVFMHH-CQSZACIVSA-N 1 2 359.474 2.157 20 30 FEEDLO CC(C)(C)C(=O)N1CSC[C@H]1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000329178607 553896667 /nfs/dbraw/zinc/89/66/67/553896667.db2.gz NMGWINNVOFDJNR-ZDUSSCGKSA-N 1 2 357.520 2.001 20 30 FEEDLO CC(C)(C)C(=O)N1CSC[C@H]1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000329178607 553896668 /nfs/dbraw/zinc/89/66/68/553896668.db2.gz NMGWINNVOFDJNR-ZDUSSCGKSA-N 1 2 357.520 2.001 20 30 FEEDLO O=C(NCc1ccccc1-n1cc[nH+]c1)N1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000329286655 553917643 /nfs/dbraw/zinc/91/76/43/553917643.db2.gz PJGBEZITHLVQSU-MSOLQXFVSA-N 1 2 356.426 2.166 20 30 FEEDLO CC(C)[C@@H]1C[C@H](CC(=O)N2CC[NH+]([C@@H](C)C(=O)NC3CC3)CC2)CCO1 ZINC000329296926 553919894 /nfs/dbraw/zinc/91/98/94/553919894.db2.gz KSQKJUYANJWJSZ-JZXOWHBKSA-N 1 2 365.518 2.479 20 30 FEEDLO O=C(N[C@H]1CC(=O)N(c2ccccc2)C1)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000329404116 553940275 /nfs/dbraw/zinc/94/02/75/553940275.db2.gz BIJGQQOKNVTTNL-MAUKXSAKSA-N 1 2 357.454 2.392 20 30 FEEDLO O=C(N[C@H]1CC(=O)N(c2ccccc2)C1)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000329404116 553940277 /nfs/dbraw/zinc/94/02/77/553940277.db2.gz BIJGQQOKNVTTNL-MAUKXSAKSA-N 1 2 357.454 2.392 20 30 FEEDLO C[C@H]1CCN(C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)C[C@@H](C)C1 ZINC000329443281 553947907 /nfs/dbraw/zinc/94/79/07/553947907.db2.gz NKPCMHREUGZKBU-HOTGVXAUSA-N 1 2 373.501 2.383 20 30 FEEDLO COc1ccc([C@H](NC(=O)C[N@@H+]2CCN3CCOC[C@H]3C2)C2CC2)cc1 ZINC000329469737 553952498 /nfs/dbraw/zinc/95/24/98/553952498.db2.gz XQUXEIKNLBNSCB-YLJYHZDGSA-N 1 2 359.470 2.119 20 30 FEEDLO COc1ccc([C@H](NC(=O)C[N@H+]2CCN3CCOC[C@H]3C2)C2CC2)cc1 ZINC000329469737 553952501 /nfs/dbraw/zinc/95/25/01/553952501.db2.gz XQUXEIKNLBNSCB-YLJYHZDGSA-N 1 2 359.470 2.119 20 30 FEEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)Nc3nc4c(s3)CCCC4(C)C)C[C@@H]21 ZINC000329510273 553959937 /nfs/dbraw/zinc/95/99/37/553959937.db2.gz JYVUPGNIUMRKGR-RYUDHWBXSA-N 1 2 350.488 2.317 20 30 FEEDLO C[N@H+]1CCO[C@H]2CN(C(=O)Nc3nc4c(s3)CCCC4(C)C)C[C@@H]21 ZINC000329510273 553959938 /nfs/dbraw/zinc/95/99/38/553959938.db2.gz JYVUPGNIUMRKGR-RYUDHWBXSA-N 1 2 350.488 2.317 20 30 FEEDLO O=C(C[N@@H+]1CCOCC2(CCOCC2)C1)Nc1nc2c(s1)CCC2 ZINC000329559568 553967380 /nfs/dbraw/zinc/96/73/80/553967380.db2.gz LXMLUEVSOONUBV-UHFFFAOYSA-N 1 2 351.472 2.349 20 30 FEEDLO O=C(C[N@H+]1CCOCC2(CCOCC2)C1)Nc1nc2c(s1)CCC2 ZINC000329559568 553967382 /nfs/dbraw/zinc/96/73/82/553967382.db2.gz LXMLUEVSOONUBV-UHFFFAOYSA-N 1 2 351.472 2.349 20 30 FEEDLO [O-]C(=[NH+]C[C@@H]1CCc2[nH+]ccn2C1)N1CCCN2c3ccccc3C[C@H]2C1 ZINC000329637209 553981029 /nfs/dbraw/zinc/98/10/29/553981029.db2.gz YOEZWFIEBOECED-WMZOPIPTSA-N 1 2 365.481 2.497 20 30 FEEDLO C[C@@H]1CCCN(c2cc(N3CCC([C@@H](O)C(=O)NC4CC4)CC3)[nH+]cn2)C1 ZINC000329643296 553981406 /nfs/dbraw/zinc/98/14/06/553981406.db2.gz DANBAZXBTLVXHU-AUUYWEPGSA-N 1 2 373.501 2.409 20 30 FEEDLO C[C@@H]1CCCN(c2cc(N3CCC([C@@H](O)C(=O)NC4CC4)CC3)nc[nH+]2)C1 ZINC000329643296 553981412 /nfs/dbraw/zinc/98/14/12/553981412.db2.gz DANBAZXBTLVXHU-AUUYWEPGSA-N 1 2 373.501 2.409 20 30 FEEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)NC[C@H]1CCCS(=O)(=O)C1 ZINC000329699337 553991337 /nfs/dbraw/zinc/99/13/37/553991337.db2.gz GCOCXLCAGOCTHU-CABCVRRESA-N 1 2 368.503 2.169 20 30 FEEDLO [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CCCN2c3ccccc3C[C@H]2C1 ZINC000329741602 553998315 /nfs/dbraw/zinc/99/83/15/553998315.db2.gz WAIVXOMZBJPEPF-CVEARBPZSA-N 1 2 351.454 2.318 20 30 FEEDLO [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1CCCN2c3ccccc3C[C@H]2C1 ZINC000329741602 553998317 /nfs/dbraw/zinc/99/83/17/553998317.db2.gz WAIVXOMZBJPEPF-CVEARBPZSA-N 1 2 351.454 2.318 20 30 FEEDLO CN(C(=O)C[NH+]1CCN(c2ccc(C#N)cc2F)CC1)c1ccccc1 ZINC000507177826 561719993 /nfs/dbraw/zinc/71/99/93/561719993.db2.gz HCSSUQVKENCQBM-UHFFFAOYSA-N 1 2 352.413 2.482 20 30 FEEDLO C[NH+]1CCN(C(=O)c2cc(NC(=O)NC[C@H]3CC=CCC3)ccn2)CC1 ZINC000329836495 554015709 /nfs/dbraw/zinc/01/57/09/554015709.db2.gz LTXNABNEJIWZLU-HNNXBMFYSA-N 1 2 357.458 2.151 20 30 FEEDLO C[C@]1(CNC(=O)NCc2ccc(N3CCOCC3)[nH+]c2)CCCS1 ZINC000329853613 554019118 /nfs/dbraw/zinc/01/91/18/554019118.db2.gz VQDCDIMSKYWTLO-QGZVFWFLSA-N 1 2 350.488 2.208 20 30 FEEDLO C[C@H](C(=O)NCC[N@@H+]1CCCC(C)(C)C1)S(=O)(=O)C1CCOCC1 ZINC000329905248 554028430 /nfs/dbraw/zinc/02/84/30/554028430.db2.gz RKXBRNRKJSQKEX-CQSZACIVSA-N 1 2 360.520 2.047 20 30 FEEDLO C[C@H](C(=O)NCC[N@H+]1CCCC(C)(C)C1)S(=O)(=O)C1CCOCC1 ZINC000329905248 554028435 /nfs/dbraw/zinc/02/84/35/554028435.db2.gz RKXBRNRKJSQKEX-CQSZACIVSA-N 1 2 360.520 2.047 20 30 FEEDLO CC[C@@H]1C[C@@H](C(=O)NC[C@@H]2C[C@H](F)CN2Cc2[nH+]ccn2C)CC(=O)N1 ZINC000329931211 554034005 /nfs/dbraw/zinc/03/40/05/554034005.db2.gz IERGWHBUWYJBCD-BARDWOONSA-N 1 2 365.453 2.434 20 30 FEEDLO C[C@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)NCCC2(C)CC2)CC1 ZINC000329931816 554034212 /nfs/dbraw/zinc/03/42/12/554034212.db2.gz IKOQBZDICGYKEF-INIZCTEOSA-N 1 2 350.507 2.109 20 30 FEEDLO Cc1cc(C[N@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)NCC2CCOCC2)on1 ZINC000329934486 554034835 /nfs/dbraw/zinc/03/48/35/554034835.db2.gz JURITVHGKPEZAN-HOTGVXAUSA-N 1 2 368.453 2.168 20 30 FEEDLO Cc1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)NCC2CCOCC2)on1 ZINC000329934486 554034838 /nfs/dbraw/zinc/03/48/38/554034838.db2.gz JURITVHGKPEZAN-HOTGVXAUSA-N 1 2 368.453 2.168 20 30 FEEDLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)c1ccc2nc(C(F)(F)F)cn2c1 ZINC000329940529 554035959 /nfs/dbraw/zinc/03/59/59/554035959.db2.gz UOXILCSAPLEASP-LBPRGKRZSA-N 1 2 369.391 2.294 20 30 FEEDLO Cc1ncsc1C[N@@H+]1C[C@@H](F)C[C@H]1CN(C)C(=O)NC[C@@H]1CCCO1 ZINC000329951937 554037891 /nfs/dbraw/zinc/03/78/91/554037891.db2.gz MYMYOOOZFXMVLA-KKUMJFAQSA-N 1 2 370.494 2.389 20 30 FEEDLO Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1CNC(=O)CC1(O)CCCCC1 ZINC000329953293 554037834 /nfs/dbraw/zinc/03/78/34/554037834.db2.gz NTEMESSZQRXWIQ-GJZGRUSLSA-N 1 2 352.454 2.374 20 30 FEEDLO Cc1ncsc1C[N@H+]1C[C@@H](F)C[C@H]1CN(C)C(=O)NC[C@@H]1CCCO1 ZINC000329951937 554037890 /nfs/dbraw/zinc/03/78/90/554037890.db2.gz MYMYOOOZFXMVLA-KKUMJFAQSA-N 1 2 370.494 2.389 20 30 FEEDLO C[C@@H]1CN(C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)C[C@@]2(CCOC2)O1 ZINC000329973321 554042152 /nfs/dbraw/zinc/04/21/52/554042152.db2.gz WVGDDUWVPVASRM-SJKOYZFVSA-N 1 2 364.833 2.282 20 30 FEEDLO Cc1oncc1CN1C[C@@H](F)C[C@H]1CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000329993183 554045754 /nfs/dbraw/zinc/04/57/54/554045754.db2.gz YETFXTPUOYRIAT-BPUTZDHNSA-N 1 2 361.421 2.311 20 30 FEEDLO Cc1nc(N2CCN(C(=O)C3CCC(NC(=O)C4CC4)CC3)CC2)cc[nH+]1 ZINC000330013108 554048956 /nfs/dbraw/zinc/04/89/56/554048956.db2.gz LQLUDEUHKIMSOE-UHFFFAOYSA-N 1 2 371.485 2.359 20 30 FEEDLO CCN1CCN(C(=O)Nc2cccnc2N2CCCC2)C[C@H]1c1[nH]cc[nH+]1 ZINC000330064260 554058008 /nfs/dbraw/zinc/05/80/08/554058008.db2.gz QXQTTXLYIXPBDX-INIZCTEOSA-N 1 2 369.473 2.329 20 30 FEEDLO C[N@H+](Cc1ncccn1)[C@H]1CCN(C(=O)NC2CCC(F)(F)CC2)C1 ZINC000330068536 554058397 /nfs/dbraw/zinc/05/83/97/554058397.db2.gz VLGANVIHWIATNJ-AWEZNQCLSA-N 1 2 353.417 2.475 20 30 FEEDLO C[N@@H+](Cc1ncccn1)[C@H]1CCN(C(=O)NC2CCC(F)(F)CC2)C1 ZINC000330068536 554058401 /nfs/dbraw/zinc/05/84/01/554058401.db2.gz VLGANVIHWIATNJ-AWEZNQCLSA-N 1 2 353.417 2.475 20 30 FEEDLO C[C@H]1C[N@H+](CC(=O)Nc2ccc3c(c2)OCCCO3)C[C@]2(CCOC2)O1 ZINC000330077730 554060507 /nfs/dbraw/zinc/06/05/07/554060507.db2.gz NEVSQMWGTDXWLC-LIRRHRJNSA-N 1 2 362.426 2.316 20 30 FEEDLO C[C@H]1C[N@@H+](CC(=O)Nc2ccc3c(c2)OCCCO3)C[C@]2(CCOC2)O1 ZINC000330077730 554060511 /nfs/dbraw/zinc/06/05/11/554060511.db2.gz NEVSQMWGTDXWLC-LIRRHRJNSA-N 1 2 362.426 2.316 20 30 FEEDLO C[C@@H]1C[N@H+](CC(=O)NCCOc2ccc(F)cc2)C[C@]2(CCCOC2)O1 ZINC000330128697 554070323 /nfs/dbraw/zinc/07/03/23/554070323.db2.gz NVSUEPXFEVYEOH-BEFAXECRSA-N 1 2 366.433 2.431 20 30 FEEDLO C[C@@H]1C[N@@H+](CC(=O)NCCOc2ccc(F)cc2)C[C@]2(CCCOC2)O1 ZINC000330128697 554070325 /nfs/dbraw/zinc/07/03/25/554070325.db2.gz NVSUEPXFEVYEOH-BEFAXECRSA-N 1 2 366.433 2.431 20 30 FEEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)NC[C@@H]1CCCCS1(=O)=O ZINC000330268644 554096452 /nfs/dbraw/zinc/09/64/52/554096452.db2.gz IUBIEOJGHPMKAP-GJZGRUSLSA-N 1 2 368.503 2.311 20 30 FEEDLO CC(=O)Nc1ccc(F)c(NC(=O)NCC[N@@H+]2CCOC(C)(C)C2)c1 ZINC000330434980 554121047 /nfs/dbraw/zinc/12/10/47/554121047.db2.gz LRJNJVAXHKVLEI-UHFFFAOYSA-N 1 2 352.410 2.221 20 30 FEEDLO CC(=O)Nc1ccc(F)c(NC(=O)NCC[N@H+]2CCOC(C)(C)C2)c1 ZINC000330434980 554121050 /nfs/dbraw/zinc/12/10/50/554121050.db2.gz LRJNJVAXHKVLEI-UHFFFAOYSA-N 1 2 352.410 2.221 20 30 FEEDLO CC(C)(C)OC(=O)C1CCN(C(=O)NCC[N@@H+]2CCOCC2(C)C)CC1 ZINC000330529325 554133609 /nfs/dbraw/zinc/13/36/09/554133609.db2.gz ZFQCKNHFVLWANT-UHFFFAOYSA-N 1 2 369.506 2.065 20 30 FEEDLO CC(C)(C)OC(=O)C1CCN(C(=O)NCC[N@H+]2CCOCC2(C)C)CC1 ZINC000330529325 554133610 /nfs/dbraw/zinc/13/36/10/554133610.db2.gz ZFQCKNHFVLWANT-UHFFFAOYSA-N 1 2 369.506 2.065 20 30 FEEDLO CC(C)(C)NC(=O)N1CCC(NC(=O)C2CC[NH+](CC(F)F)CC2)CC1 ZINC000330673556 554155277 /nfs/dbraw/zinc/15/52/77/554155277.db2.gz PKRHQCVPLUDHRG-UHFFFAOYSA-N 1 2 374.476 2.257 20 30 FEEDLO CCN(CC)C(=O)C[NH+]1CCN(C(=O)Nc2ccc(C)c(F)c2)CC1 ZINC000330856955 554179303 /nfs/dbraw/zinc/17/93/03/554179303.db2.gz ZKVAVRVEVOMYDA-UHFFFAOYSA-N 1 2 350.438 2.166 20 30 FEEDLO C=CCOc1ccccc1CNc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000508488335 561763636 /nfs/dbraw/zinc/76/36/36/561763636.db2.gz IWNNJQDDQWLLAY-UHFFFAOYSA-N 1 2 366.465 2.068 20 30 FEEDLO CCNC(=O)NC(=O)[C@H](C)[N@H+]1[C@H](C(=O)OC(C)(C)C)C[C@@H]2CCCC[C@@H]21 ZINC000331110033 554214676 /nfs/dbraw/zinc/21/46/76/554214676.db2.gz ILQNUWKOPQHKHD-AJNGGQMLSA-N 1 2 367.490 2.400 20 30 FEEDLO CCNC(=O)NC(=O)[C@H](C)[N@@H+]1[C@H](C(=O)OC(C)(C)C)C[C@@H]2CCCC[C@@H]21 ZINC000331110033 554214680 /nfs/dbraw/zinc/21/46/80/554214680.db2.gz ILQNUWKOPQHKHD-AJNGGQMLSA-N 1 2 367.490 2.400 20 30 FEEDLO N#Cc1ccc(-c2nnc(C[N@H+]3CCC[C@@](O)(C(F)(F)F)C3)o2)cc1 ZINC000331269816 554239207 /nfs/dbraw/zinc/23/92/07/554239207.db2.gz LXJCKYDXZMRFNM-HNNXBMFYSA-N 1 2 352.316 2.497 20 30 FEEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3CCC[C@@](O)(C(F)(F)F)C3)o2)cc1 ZINC000331269816 554239208 /nfs/dbraw/zinc/23/92/08/554239208.db2.gz LXJCKYDXZMRFNM-HNNXBMFYSA-N 1 2 352.316 2.497 20 30 FEEDLO C=CCn1c([C@@H](C)CC)nnc1N1CC[NH+](CC(=O)N[C@H](C)CC)CC1 ZINC000508825343 561774044 /nfs/dbraw/zinc/77/40/44/561774044.db2.gz JYQZLNGBCVLBLE-JKSUJKDBSA-N 1 2 362.522 2.014 20 30 FEEDLO C[C@H](Cn1ccc2ccccc21)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000509502904 561802836 /nfs/dbraw/zinc/80/28/36/561802836.db2.gz ZSEWWGHTMZPNPA-GOSISDBHSA-N 1 2 368.481 2.352 20 30 FEEDLO CCN1CC[NH+]([C@H]2CCN(C(=O)C[C@H](CC#N)c3ccccc3)C2)CC1 ZINC000332328891 554426037 /nfs/dbraw/zinc/42/60/37/554426037.db2.gz UATBYEBDQYBPJI-PMACEKPBSA-N 1 2 354.498 2.312 20 30 FEEDLO Cn1nccc1[C@H]1CCC[N@@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000333156664 554581083 /nfs/dbraw/zinc/58/10/83/554581083.db2.gz MRBLCPIDDWVVSN-GOEBONIOSA-N 1 2 355.467 2.338 20 30 FEEDLO Cn1nccc1[C@H]1CCC[N@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000333156664 554581084 /nfs/dbraw/zinc/58/10/84/554581084.db2.gz MRBLCPIDDWVVSN-GOEBONIOSA-N 1 2 355.467 2.338 20 30 FEEDLO COc1ccc(C(=O)CC[NH+]2CCN(c3c(C#N)c(C)nn3C)CC2)cc1 ZINC000510791539 561846490 /nfs/dbraw/zinc/84/64/90/561846490.db2.gz MZWGTCUCAKJMNY-UHFFFAOYSA-N 1 2 367.453 2.004 20 30 FEEDLO Cc1ccc(-c2noc([C@@H](C)n3cnc(C#N)n3)n2)c(N2CCCC2)[nH+]1 ZINC000350010622 554753764 /nfs/dbraw/zinc/75/37/64/554753764.db2.gz RENODCPBKWHKEO-GFCCVEGCSA-N 1 2 350.386 2.113 20 30 FEEDLO Cc1nc(NCc2cccc(C(=O)NC3CCN(CC#N)CC3)c2)cc[nH+]1 ZINC000612539571 554801905 /nfs/dbraw/zinc/80/19/05/554801905.db2.gz ONDVJARKFAOCGQ-UHFFFAOYSA-N 1 2 364.453 2.115 20 30 FEEDLO N#Cc1cccc(OCCC[NH+]2CCN(C3(C(N)=O)CCCCC3)CC2)c1 ZINC000361300748 554915829 /nfs/dbraw/zinc/91/58/29/554915829.db2.gz XCFDUQQDVBHRTO-UHFFFAOYSA-N 1 2 370.497 2.133 20 30 FEEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](C(=O)Nc3nccs3)C2)cc1 ZINC000363157822 555042675 /nfs/dbraw/zinc/04/26/75/555042675.db2.gz OBLGNEIRUOMHBD-CQSZACIVSA-N 1 2 369.450 2.304 20 30 FEEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H](C(=O)Nc3nccs3)C2)cc1 ZINC000363157822 555042678 /nfs/dbraw/zinc/04/26/78/555042678.db2.gz OBLGNEIRUOMHBD-CQSZACIVSA-N 1 2 369.450 2.304 20 30 FEEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCCN(C(=O)C(C)(C)C)CC1 ZINC000363229123 555059159 /nfs/dbraw/zinc/05/91/59/555059159.db2.gz ALRZBDHTAPDETP-OAHLLOKOSA-N 1 2 356.470 2.466 20 30 FEEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCCN(C(=O)C(C)(C)C)CC1 ZINC000363229123 555059160 /nfs/dbraw/zinc/05/91/60/555059160.db2.gz ALRZBDHTAPDETP-OAHLLOKOSA-N 1 2 356.470 2.466 20 30 FEEDLO Cn1c(CC[N@@H+]2CCN(Cc3ccc(C#N)cc3)C(=O)C2)nc2ccccc21 ZINC000363254008 555064342 /nfs/dbraw/zinc/06/43/42/555064342.db2.gz WSVKIVFLNMEOTK-UHFFFAOYSA-N 1 2 373.460 2.332 20 30 FEEDLO Cn1c(CC[N@H+]2CCN(Cc3ccc(C#N)cc3)C(=O)C2)nc2ccccc21 ZINC000363254008 555064344 /nfs/dbraw/zinc/06/43/44/555064344.db2.gz WSVKIVFLNMEOTK-UHFFFAOYSA-N 1 2 373.460 2.332 20 30 FEEDLO N#CCCN(C(=O)C[N@@H+]1CCC[C@H](N2CCCCC2=O)C1)c1ccccc1 ZINC000363501077 555121550 /nfs/dbraw/zinc/12/15/50/555121550.db2.gz UENVILHMLRYORD-IBGZPJMESA-N 1 2 368.481 2.410 20 30 FEEDLO N#CCCN(C(=O)C[N@H+]1CCC[C@H](N2CCCCC2=O)C1)c1ccccc1 ZINC000363501077 555121553 /nfs/dbraw/zinc/12/15/53/555121553.db2.gz UENVILHMLRYORD-IBGZPJMESA-N 1 2 368.481 2.410 20 30 FEEDLO Cc1nc([C@@H]2CCC[N@@H+]([C@H]3CCN(c4sccc4C#N)C3=O)C2)no1 ZINC000363634117 555151549 /nfs/dbraw/zinc/15/15/49/555151549.db2.gz BJCPXDOUALSOGS-KGLIPLIRSA-N 1 2 357.439 2.296 20 30 FEEDLO Cc1nc([C@@H]2CCC[N@H+]([C@H]3CCN(c4sccc4C#N)C3=O)C2)no1 ZINC000363634117 555151550 /nfs/dbraw/zinc/15/15/50/555151550.db2.gz BJCPXDOUALSOGS-KGLIPLIRSA-N 1 2 357.439 2.296 20 30 FEEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H]1CCCN(c2cnn(C)c2)C1=O ZINC000512221160 561896459 /nfs/dbraw/zinc/89/64/59/561896459.db2.gz WLBQSGLALNWWFZ-SFHVURJKSA-N 1 2 358.442 2.079 20 30 FEEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H]1CCCN(c2cnn(C)c2)C1=O ZINC000512221160 561896460 /nfs/dbraw/zinc/89/64/60/561896460.db2.gz WLBQSGLALNWWFZ-SFHVURJKSA-N 1 2 358.442 2.079 20 30 FEEDLO COc1cccc(-n2cc(C[NH2+]Cc3cnc4ccc(C#N)cn34)nn2)c1 ZINC000364281976 555284193 /nfs/dbraw/zinc/28/41/93/555284193.db2.gz CYXCWCRLJSRJNI-UHFFFAOYSA-N 1 2 359.393 2.085 20 30 FEEDLO C(#Cc1ccccc1)Cn1nnc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000365053654 555474750 /nfs/dbraw/zinc/47/47/50/555474750.db2.gz OCQVVLRDOREOKI-FQEVSTJZSA-N 1 2 359.433 2.298 20 30 FEEDLO C(#Cc1ccccc1)Cn1nnc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000365053654 555474752 /nfs/dbraw/zinc/47/47/52/555474752.db2.gz OCQVVLRDOREOKI-FQEVSTJZSA-N 1 2 359.433 2.298 20 30 FEEDLO COc1ccc(OC)c(C[NH+]2CCN(C(=O)NCC(C)(C)C#N)CC2)c1 ZINC000512901833 561919315 /nfs/dbraw/zinc/91/93/15/561919315.db2.gz KZSISOGSAHEYNL-UHFFFAOYSA-N 1 2 360.458 2.081 20 30 FEEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(Oc2cnccn2)CC1 ZINC000365847696 555682500 /nfs/dbraw/zinc/68/25/00/555682500.db2.gz MJUFZFJLIZTJLR-AWEZNQCLSA-N 1 2 351.410 2.219 20 30 FEEDLO CNc1cc(N2CCC[C@@H]2CNC(=O)c2cccc(C#N)c2C)nc[nH+]1 ZINC000513832992 561951950 /nfs/dbraw/zinc/95/19/50/561951950.db2.gz UATPYCGUHBTIGG-OAHLLOKOSA-N 1 2 350.426 2.097 20 30 FEEDLO CNc1cc(N2CCC[C@@H]2CNC(=O)c2cccc(C#N)c2C)[nH+]cn1 ZINC000513832992 561951952 /nfs/dbraw/zinc/95/19/52/561951952.db2.gz UATPYCGUHBTIGG-OAHLLOKOSA-N 1 2 350.426 2.097 20 30 FEEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000366562130 555876732 /nfs/dbraw/zinc/87/67/32/555876732.db2.gz AFUGUKLZUDMPMR-MRXNPFEDSA-N 1 2 358.442 2.330 20 30 FEEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000366562130 555876735 /nfs/dbraw/zinc/87/67/35/555876735.db2.gz AFUGUKLZUDMPMR-MRXNPFEDSA-N 1 2 358.442 2.330 20 30 FEEDLO C[C@@H]1C[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C[C@]2(CCCOC2)O1 ZINC000366578964 555881983 /nfs/dbraw/zinc/88/19/83/555881983.db2.gz QPPRIIQQLXYFKI-KUHUBIRLSA-N 1 2 354.410 2.378 20 30 FEEDLO C[C@@H]1C[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C[C@]2(CCCOC2)O1 ZINC000366578964 555881985 /nfs/dbraw/zinc/88/19/85/555881985.db2.gz QPPRIIQQLXYFKI-KUHUBIRLSA-N 1 2 354.410 2.378 20 30 FEEDLO CC[C@@H]1C[N@H+](CC(=O)N(CCC#N)c2ccccc2)C[C@]2(CCOC2)O1 ZINC000366591180 555884999 /nfs/dbraw/zinc/88/49/99/555884999.db2.gz NDLLHPGNNZDLNY-QUCCMNQESA-N 1 2 357.454 2.203 20 30 FEEDLO CC[C@@H]1C[N@@H+](CC(=O)N(CCC#N)c2ccccc2)C[C@]2(CCOC2)O1 ZINC000366591180 555885002 /nfs/dbraw/zinc/88/50/02/555885002.db2.gz NDLLHPGNNZDLNY-QUCCMNQESA-N 1 2 357.454 2.203 20 30 FEEDLO CC[C@@H]1C[N@H+](CC(=O)N(CCC#N)c2ccccc2)C[C@@]2(CCOC2)O1 ZINC000366591182 555885066 /nfs/dbraw/zinc/88/50/66/555885066.db2.gz NDLLHPGNNZDLNY-UYAOXDASSA-N 1 2 357.454 2.203 20 30 FEEDLO CC[C@@H]1C[N@@H+](CC(=O)N(CCC#N)c2ccccc2)C[C@@]2(CCOC2)O1 ZINC000366591182 555885067 /nfs/dbraw/zinc/88/50/67/555885067.db2.gz NDLLHPGNNZDLNY-UYAOXDASSA-N 1 2 357.454 2.203 20 30 FEEDLO C#CC[C@@H](NC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1)c1ccccc1 ZINC000366765324 555928793 /nfs/dbraw/zinc/92/87/93/555928793.db2.gz OXERGTZOMZZLOB-UYAOXDASSA-N 1 2 373.522 2.258 20 30 FEEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)N2CCC[C@@H]2c2cccc(OC)c2)C1=O ZINC000366910403 555966263 /nfs/dbraw/zinc/96/62/63/555966263.db2.gz HUDFDALKKIMFSG-RTBURBONSA-N 1 2 371.481 2.077 20 30 FEEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)N2CCC[C@@H]2c2cccc(OC)c2)C1=O ZINC000366910403 555966265 /nfs/dbraw/zinc/96/62/65/555966265.db2.gz HUDFDALKKIMFSG-RTBURBONSA-N 1 2 371.481 2.077 20 30 FEEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000367362727 556028462 /nfs/dbraw/zinc/02/84/62/556028462.db2.gz ZCGSLAAFETUJCF-BIWSTMPVSA-N 1 2 374.489 2.009 20 30 FEEDLO Cc1cn2c([nH+]1)CC[C@H](NC(=O)[C@H]1CCN(c3ccc(C#N)cc3F)C1)C2 ZINC000367721006 556122851 /nfs/dbraw/zinc/12/28/51/556122851.db2.gz NCEDXFIWYUAIEP-HOTGVXAUSA-N 1 2 367.428 2.160 20 30 FEEDLO N#C[C@@]1(C(=O)N2CC[NH+](Cc3ccncc3)CC2)CCc2ccccc2C1 ZINC000367774107 556135646 /nfs/dbraw/zinc/13/56/46/556135646.db2.gz VJAOUQTZACNISX-JOCHJYFZSA-N 1 2 360.461 2.425 20 30 FEEDLO Cc1[nH+]c2ccccn2c1[C@H]1C(=O)NCCN1CC#Cc1ccc(F)cc1 ZINC000368567533 556347918 /nfs/dbraw/zinc/34/79/18/556347918.db2.gz VWIPSAWKRICCQK-FQEVSTJZSA-N 1 2 362.408 2.306 20 30 FEEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CC[C@H](NC(=O)C3CCC3)C2)cc1Cl ZINC000369065904 556494962 /nfs/dbraw/zinc/49/49/62/556494962.db2.gz PUSTZPJUSLCGJY-HNNXBMFYSA-N 1 2 360.845 2.141 20 30 FEEDLO N#Cc1ccc(NC(=O)C[N@H+]2CC[C@H](NC(=O)C3CCC3)C2)cc1Cl ZINC000369065904 556494964 /nfs/dbraw/zinc/49/49/64/556494964.db2.gz PUSTZPJUSLCGJY-HNNXBMFYSA-N 1 2 360.845 2.141 20 30 FEEDLO N#Cc1c(NC(=O)C[N@@H+]2CC[C@]3(CNC(=O)C3)C2)sc2c1CCCCC2 ZINC000369303332 556569307 /nfs/dbraw/zinc/56/93/07/556569307.db2.gz OVKSUQHFTNRKGA-IBGZPJMESA-N 1 2 372.494 2.039 20 30 FEEDLO N#Cc1c(NC(=O)C[N@H+]2CC[C@]3(CNC(=O)C3)C2)sc2c1CCCCC2 ZINC000369303332 556569309 /nfs/dbraw/zinc/56/93/09/556569309.db2.gz OVKSUQHFTNRKGA-IBGZPJMESA-N 1 2 372.494 2.039 20 30 FEEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCN(Cc2c(C)[nH+]c3n2CCCC3)CC1 ZINC000369489799 556610068 /nfs/dbraw/zinc/61/00/68/556610068.db2.gz JYSUBYIOECSUFW-YLJYHZDGSA-N 1 2 372.513 2.153 20 30 FEEDLO C[C@H](CNC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1)[NH+]1CCOCC1 ZINC000369748296 556684525 /nfs/dbraw/zinc/68/45/25/556684525.db2.gz JMZMRFWZIZLIQA-BHIYHBOVSA-N 1 2 356.470 2.188 20 30 FEEDLO CC(C)(C#N)c1ccc(NC(=O)c2cnn(CC[NH+]3CCOCC3)c2)cc1 ZINC000369945234 556738147 /nfs/dbraw/zinc/73/81/47/556738147.db2.gz VHJVDDUHQYSGNK-UHFFFAOYSA-N 1 2 367.453 2.269 20 30 FEEDLO C=CCNC(=O)c1ccc(NC(=O)C2([NH+]3CCN(C)CC3)CCCC2)cc1 ZINC000369951914 556739943 /nfs/dbraw/zinc/73/99/43/556739943.db2.gz MVYXSOHKALKRTG-UHFFFAOYSA-N 1 2 370.497 2.101 20 30 FEEDLO COc1ccccc1CNC(=O)C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000370313362 556837554 /nfs/dbraw/zinc/83/75/54/556837554.db2.gz JMWGZDSMUMMDGF-UHFFFAOYSA-N 1 2 364.449 2.264 20 30 FEEDLO C=C[C@@H](CC(=O)N1CCC[N@@H+](CC(=O)NC(C)C)CC1)c1ccccc1 ZINC000371164262 557094140 /nfs/dbraw/zinc/09/41/40/557094140.db2.gz MSLHLGSFBOMQIB-SFHVURJKSA-N 1 2 357.498 2.405 20 30 FEEDLO C=C[C@@H](CC(=O)N1CCC[N@H+](CC(=O)NC(C)C)CC1)c1ccccc1 ZINC000371164262 557094143 /nfs/dbraw/zinc/09/41/43/557094143.db2.gz MSLHLGSFBOMQIB-SFHVURJKSA-N 1 2 357.498 2.405 20 30 FEEDLO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)C1 ZINC000371323896 557146238 /nfs/dbraw/zinc/14/62/38/557146238.db2.gz RXAWPVCKGYOMBP-KRWDZBQOSA-N 1 2 368.824 2.453 20 30 FEEDLO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)C1 ZINC000371323896 557146244 /nfs/dbraw/zinc/14/62/44/557146244.db2.gz RXAWPVCKGYOMBP-KRWDZBQOSA-N 1 2 368.824 2.453 20 30 FEEDLO CC[C@@H](C)[C@H](NC(=O)N(CCC#N)CC[NH+]1CCOCC1)C(F)(F)F ZINC000517494816 562091235 /nfs/dbraw/zinc/09/12/35/562091235.db2.gz LYLADDDJUGADFQ-KGLIPLIRSA-N 1 2 364.412 2.221 20 30 FEEDLO Cc1cn2c([nH+]1)CN(C(=O)CCCC(=O)Nc1ccccc1C#N)CC2 ZINC000371728044 557276144 /nfs/dbraw/zinc/27/61/44/557276144.db2.gz NVUGPFYGVSYSIQ-UHFFFAOYSA-N 1 2 351.410 2.214 20 30 FEEDLO CO[C@@H](C)c1noc(CN2CCC[N@H+](Cc3cc(C#N)ccc3F)CC2)n1 ZINC000371866357 557314357 /nfs/dbraw/zinc/31/43/57/557314357.db2.gz IRCGBPXOHFDAJV-AWEZNQCLSA-N 1 2 373.432 2.496 20 30 FEEDLO CO[C@@H](C)c1noc(CN2CCC[N@@H+](Cc3cc(C#N)ccc3F)CC2)n1 ZINC000371866357 557314360 /nfs/dbraw/zinc/31/43/60/557314360.db2.gz IRCGBPXOHFDAJV-AWEZNQCLSA-N 1 2 373.432 2.496 20 30 FEEDLO CC(C)COc1cn(-c2ccccc2)nc1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000518986352 562122675 /nfs/dbraw/zinc/12/26/75/562122675.db2.gz LACIGGAAHNNSPD-FQEVSTJZSA-N 1 2 369.469 2.481 20 30 FEEDLO N#Cc1ccc(N2CCN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)CC2)c(Cl)c1 ZINC000373117693 557632417 /nfs/dbraw/zinc/63/24/17/557632417.db2.gz JFBJLBFKVIZCCK-OAHLLOKOSA-N 1 2 369.856 2.319 20 30 FEEDLO Cc1oc(NC(=O)C[N@H+]2CCC[C@H](c3nc(N(C)C)no3)C2)c(C#N)c1C ZINC000374617693 557907422 /nfs/dbraw/zinc/90/74/22/557907422.db2.gz DCWTWVUZFOUVBO-ZDUSSCGKSA-N 1 2 372.429 2.035 20 30 FEEDLO Cc1oc(NC(=O)C[N@@H+]2CCC[C@H](c3nc(N(C)C)no3)C2)c(C#N)c1C ZINC000374617693 557907423 /nfs/dbraw/zinc/90/74/23/557907423.db2.gz DCWTWVUZFOUVBO-ZDUSSCGKSA-N 1 2 372.429 2.035 20 30 FEEDLO N#CCC(=O)N1CC[NH+](Cc2ccc(OCc3ccccn3)cc2)CC1 ZINC000521266313 562173166 /nfs/dbraw/zinc/17/31/66/562173166.db2.gz BHFVFGCGUHPOJX-UHFFFAOYSA-N 1 2 350.422 2.218 20 30 FEEDLO CC(=O)NCc1ccc([C@H]2CCC[N@H+]2CC(=O)N[C@@](C)(C#N)C(C)C)o1 ZINC000375139230 557982821 /nfs/dbraw/zinc/98/28/21/557982821.db2.gz DUHNQVUWEHMPLG-APWZRJJASA-N 1 2 360.458 2.107 20 30 FEEDLO CC(=O)NCc1ccc([C@H]2CCC[N@@H+]2CC(=O)N[C@@](C)(C#N)C(C)C)o1 ZINC000375139230 557982822 /nfs/dbraw/zinc/98/28/22/557982822.db2.gz DUHNQVUWEHMPLG-APWZRJJASA-N 1 2 360.458 2.107 20 30 FEEDLO CC(=O)NCc1ccc([C@H]2CCC[N@H+]2CC(=O)N[C@](C)(C#N)C(C)C)o1 ZINC000375139233 557982877 /nfs/dbraw/zinc/98/28/77/557982877.db2.gz DUHNQVUWEHMPLG-VQIMIIECSA-N 1 2 360.458 2.107 20 30 FEEDLO CC(=O)NCc1ccc([C@H]2CCC[N@@H+]2CC(=O)N[C@](C)(C#N)C(C)C)o1 ZINC000375139233 557982879 /nfs/dbraw/zinc/98/28/79/557982879.db2.gz DUHNQVUWEHMPLG-VQIMIIECSA-N 1 2 360.458 2.107 20 30 FEEDLO CC(=O)NCc1ccc([C@@H]2CCC[N@H+]2CC(=O)N[C@@](C)(C#N)C(C)C)o1 ZINC000375139231 557982899 /nfs/dbraw/zinc/98/28/99/557982899.db2.gz DUHNQVUWEHMPLG-LPHOPBHVSA-N 1 2 360.458 2.107 20 30 FEEDLO CC(=O)NCc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N[C@@](C)(C#N)C(C)C)o1 ZINC000375139231 557982900 /nfs/dbraw/zinc/98/29/00/557982900.db2.gz DUHNQVUWEHMPLG-LPHOPBHVSA-N 1 2 360.458 2.107 20 30 FEEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CC[C@@]2(C1)C(=O)Nc1ccccc12 ZINC000375319986 558008585 /nfs/dbraw/zinc/00/85/85/558008585.db2.gz ONUVCRQDAKMJAO-SFHVURJKSA-N 1 2 352.419 2.154 20 30 FEEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CC[C@@]2(C1)C(=O)Nc1ccccc12 ZINC000375319986 558008586 /nfs/dbraw/zinc/00/85/86/558008586.db2.gz ONUVCRQDAKMJAO-SFHVURJKSA-N 1 2 352.419 2.154 20 30 FEEDLO C=C[C@@](C)(CCOC)C(=O)N1CCC[C@@H]([N@H+](C)Cc2noc(C)n2)CC1 ZINC000375345734 558012891 /nfs/dbraw/zinc/01/28/91/558012891.db2.gz RBRKGNHSIVAUGY-APWZRJJASA-N 1 2 364.490 2.420 20 30 FEEDLO C=C[C@@](C)(CCOC)C(=O)N1CCC[C@@H]([N@@H+](C)Cc2noc(C)n2)CC1 ZINC000375345734 558012892 /nfs/dbraw/zinc/01/28/92/558012892.db2.gz RBRKGNHSIVAUGY-APWZRJJASA-N 1 2 364.490 2.420 20 30 FEEDLO N#Cc1cccc(CN2C(=O)CC[C@H]2C(=O)Nc2cccc3[nH+]ccn32)c1 ZINC000375467303 558032432 /nfs/dbraw/zinc/03/24/32/558032432.db2.gz HZSNJLFBZDBXHC-INIZCTEOSA-N 1 2 359.389 2.336 20 30 FEEDLO C=C(Br)Cn1nnc([C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000375785711 558079589 /nfs/dbraw/zinc/07/95/89/558079589.db2.gz BQLZIVKLEUEFLX-CQSZACIVSA-N 1 2 364.247 2.155 20 30 FEEDLO C=C(Br)Cn1nnc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000375785711 558079590 /nfs/dbraw/zinc/07/95/90/558079590.db2.gz BQLZIVKLEUEFLX-CQSZACIVSA-N 1 2 364.247 2.155 20 30 FEEDLO C=CCc1ccc(OCC(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)c(OC)c1 ZINC000521491051 562177585 /nfs/dbraw/zinc/17/75/85/562177585.db2.gz INVBHDNRZGMGOG-CVEARBPZSA-N 1 2 362.470 2.028 20 30 FEEDLO COC(=O)c1ccccc1C[N@@H+]1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000376645284 558202533 /nfs/dbraw/zinc/20/25/33/558202533.db2.gz UJEFMFLOORURFR-BTYIYWSLSA-N 1 2 361.401 2.319 20 30 FEEDLO COC(=O)c1ccccc1C[N@H+]1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000376645284 558202535 /nfs/dbraw/zinc/20/25/35/558202535.db2.gz UJEFMFLOORURFR-BTYIYWSLSA-N 1 2 361.401 2.319 20 30 FEEDLO C=CCN(C(=O)CCn1cc[nH+]c1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000521800795 562183702 /nfs/dbraw/zinc/18/37/02/562183702.db2.gz MVSXZJQKSLMCLL-HNNXBMFYSA-N 1 2 351.414 2.025 20 30 FEEDLO C=C(CNC(=O)N1CCCN(Cc2[nH+]ccn2C)CC1)c1ccccc1 ZINC000377041072 558255013 /nfs/dbraw/zinc/25/50/13/558255013.db2.gz GHFLNJXEAXWYAR-UHFFFAOYSA-N 1 2 353.470 2.351 20 30 FEEDLO C=C(CNC(=O)N1CCC[N@@H+](Cc2nccn2C)CC1)c1ccccc1 ZINC000377041072 558255014 /nfs/dbraw/zinc/25/50/14/558255014.db2.gz GHFLNJXEAXWYAR-UHFFFAOYSA-N 1 2 353.470 2.351 20 30 FEEDLO C=C(CNC(=O)N1CCC[N@H+](Cc2nccn2C)CC1)c1ccccc1 ZINC000377041072 558255016 /nfs/dbraw/zinc/25/50/16/558255016.db2.gz GHFLNJXEAXWYAR-UHFFFAOYSA-N 1 2 353.470 2.351 20 30 FEEDLO N#Cc1cc(NC[C@@H]2C[C@H](F)C[N@H+]2Cc2cncnc2)nc2ccccc12 ZINC000377158238 558278326 /nfs/dbraw/zinc/27/83/26/558278326.db2.gz PHAPQCRBQMTQKE-IRXDYDNUSA-N 1 2 362.412 2.921 20 30 FEEDLO N#Cc1cc(NC[C@@H]2C[C@H](F)C[N@@H+]2Cc2cncnc2)nc2ccccc12 ZINC000377158238 558278328 /nfs/dbraw/zinc/27/83/28/558278328.db2.gz PHAPQCRBQMTQKE-IRXDYDNUSA-N 1 2 362.412 2.921 20 30 FEEDLO Cn1cc[nH+]c1-c1cccc(NC(=O)C(=O)NCC(C)(C)CCC#N)c1 ZINC000377218775 558291656 /nfs/dbraw/zinc/29/16/56/558291656.db2.gz XSJOBVBLVIZBDE-UHFFFAOYSA-N 1 2 353.426 2.472 20 30 FEEDLO Cn1c[nH+]cc1CNC(=O)NCC1CCN(c2ccccc2C#N)CC1 ZINC000377305166 558310643 /nfs/dbraw/zinc/31/06/43/558310643.db2.gz LDZCZNUSEXUMIO-UHFFFAOYSA-N 1 2 352.442 2.008 20 30 FEEDLO CCc1nc([C@H]2CCC[N@H+](CC(=O)N(C)C3(C#N)CCCCC3)C2)no1 ZINC000377494322 558351050 /nfs/dbraw/zinc/35/10/50/558351050.db2.gz LIKFTAMWHCGQGO-HNNXBMFYSA-N 1 2 359.474 2.496 20 30 FEEDLO CCc1nc([C@H]2CCC[N@@H+](CC(=O)N(C)C3(C#N)CCCCC3)C2)no1 ZINC000377494322 558351051 /nfs/dbraw/zinc/35/10/51/558351051.db2.gz LIKFTAMWHCGQGO-HNNXBMFYSA-N 1 2 359.474 2.496 20 30 FEEDLO C[N@H+](CCS(=O)(=O)c1ccc(C#N)cn1)[C@H]1CCCc2cccnc21 ZINC000377607768 558376355 /nfs/dbraw/zinc/37/63/55/558376355.db2.gz PDPFZRCSUGLOSK-INIZCTEOSA-N 1 2 356.451 2.131 20 30 FEEDLO C[N@@H+](CCS(=O)(=O)c1ccc(C#N)cn1)[C@H]1CCCc2cccnc21 ZINC000377607768 558376356 /nfs/dbraw/zinc/37/63/56/558376356.db2.gz PDPFZRCSUGLOSK-INIZCTEOSA-N 1 2 356.451 2.131 20 30 FEEDLO COC(=O)c1ccc(C[N@@H+]2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)cc1 ZINC000378285133 558519570 /nfs/dbraw/zinc/51/95/70/558519570.db2.gz HTGDTVLZDALJNL-IIBYNOLFSA-N 1 2 361.401 2.319 20 30 FEEDLO COC(=O)c1ccc(C[N@H+]2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)cc1 ZINC000378285133 558519574 /nfs/dbraw/zinc/51/95/74/558519574.db2.gz HTGDTVLZDALJNL-IIBYNOLFSA-N 1 2 361.401 2.319 20 30 FEEDLO N#CCOc1ccc(CNC(=O)N[C@H]2CCCN(c3cccc[nH+]3)C2)cc1 ZINC000378330289 558531285 /nfs/dbraw/zinc/53/12/85/558531285.db2.gz GFZKYNMBBRSAFU-KRWDZBQOSA-N 1 2 365.437 2.452 20 30 FEEDLO C=CCCCCCN(C)C(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000523520261 562214623 /nfs/dbraw/zinc/21/46/23/562214623.db2.gz MLIVZODHLZUQOL-UHFFFAOYSA-N 1 2 364.534 2.319 20 30 FEEDLO Cc1noc(C2(C)CC[NH+](CCS(=O)(=O)c3cccc(C#N)c3)CC2)n1 ZINC000378581001 558588002 /nfs/dbraw/zinc/58/80/02/558588002.db2.gz MJBOXCYMZNPRLI-UHFFFAOYSA-N 1 2 374.466 2.077 20 30 FEEDLO C[C@H](C(=O)N1CC[NH+]([C@@H](C)c2ccc(Cl)cc2)CC1)n1cnc(C#N)n1 ZINC000409752153 558718175 /nfs/dbraw/zinc/71/81/75/558718175.db2.gz HQVMPNYSZGAFDX-UONOGXRCSA-N 1 2 372.860 2.270 20 30 FEEDLO C=C(C)CN(C)C(=O)C(=O)N1CC[N@@H+](Cc2ccccc2OCC)C[C@H]1C ZINC000410942493 558826305 /nfs/dbraw/zinc/82/63/05/558826305.db2.gz GDHOFYVUSUQAPX-QGZVFWFLSA-N 1 2 373.497 2.153 20 30 FEEDLO C=C(C)CN(C)C(=O)C(=O)N1CC[N@H+](Cc2ccccc2OCC)C[C@H]1C ZINC000410942493 558826306 /nfs/dbraw/zinc/82/63/06/558826306.db2.gz GDHOFYVUSUQAPX-QGZVFWFLSA-N 1 2 373.497 2.153 20 30 FEEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000411199003 558852154 /nfs/dbraw/zinc/85/21/54/558852154.db2.gz YMARUKYLLRYAMW-KRWDZBQOSA-N 1 2 355.398 2.122 20 30 FEEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000411199003 558852156 /nfs/dbraw/zinc/85/21/56/558852156.db2.gz YMARUKYLLRYAMW-KRWDZBQOSA-N 1 2 355.398 2.122 20 30 FEEDLO COC(=O)c1cc(C[N@@H+]2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)cs1 ZINC000411398189 558887913 /nfs/dbraw/zinc/88/79/13/558887913.db2.gz BBICOFLPTDEZFV-ORAYPTAESA-N 1 2 367.430 2.380 20 30 FEEDLO COC(=O)c1cc(C[N@H+]2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)cs1 ZINC000411398189 558887914 /nfs/dbraw/zinc/88/79/14/558887914.db2.gz BBICOFLPTDEZFV-ORAYPTAESA-N 1 2 367.430 2.380 20 30 FEEDLO O=S1(=O)CCCN1C1CC[NH+](CC#Cc2cccc(Cl)c2)CC1 ZINC000411834155 558973135 /nfs/dbraw/zinc/97/31/35/558973135.db2.gz MYUWIGNYBVCVER-UHFFFAOYSA-N 1 2 352.887 2.191 20 30 FEEDLO N#CC1(NC(=O)C[N@@H+]2CCCC[C@H]2CNC(=O)Nc2ccccc2)CCC1 ZINC000525886232 562258637 /nfs/dbraw/zinc/25/86/37/562258637.db2.gz ITOBJXMIADAMDX-KRWDZBQOSA-N 1 2 369.469 2.225 20 30 FEEDLO N#CC1(NC(=O)C[N@H+]2CCCC[C@H]2CNC(=O)Nc2ccccc2)CCC1 ZINC000525886232 562258638 /nfs/dbraw/zinc/25/86/38/562258638.db2.gz ITOBJXMIADAMDX-KRWDZBQOSA-N 1 2 369.469 2.225 20 30 FEEDLO CC[C@H](Oc1cccc(C)c1)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000413281920 559095109 /nfs/dbraw/zinc/09/51/09/559095109.db2.gz OFHCQHISDWEEAI-IBGZPJMESA-N 1 2 359.470 2.227 20 30 FEEDLO C=CC[C@H](Cc1ccccc1)Nc1cc(N2CCN(C)C(=O)C2)nc[nH+]1 ZINC000413577415 559117776 /nfs/dbraw/zinc/11/77/76/559117776.db2.gz NAGGAXPXKZDMJT-QGZVFWFLSA-N 1 2 351.454 2.354 20 30 FEEDLO C=CC[C@H](Cc1ccccc1)Nc1cc(N2CCN(C)C(=O)C2)[nH+]cn1 ZINC000413577415 559117777 /nfs/dbraw/zinc/11/77/77/559117777.db2.gz NAGGAXPXKZDMJT-QGZVFWFLSA-N 1 2 351.454 2.354 20 30 FEEDLO CCCCn1c(SC[C@@H](O)C[N@H+](C)CCC#N)nc2ccccc2c1=O ZINC000414098331 559149228 /nfs/dbraw/zinc/14/92/28/559149228.db2.gz OPLHYCIGWJBLEK-HNNXBMFYSA-N 1 2 374.510 2.495 20 30 FEEDLO CCCCn1c(SC[C@@H](O)C[N@@H+](C)CCC#N)nc2ccccc2c1=O ZINC000414098331 559149229 /nfs/dbraw/zinc/14/92/29/559149229.db2.gz OPLHYCIGWJBLEK-HNNXBMFYSA-N 1 2 374.510 2.495 20 30 FEEDLO CCN1CCN(Cc2nnc(-c3cccc(C#N)c3)o2)C[C@H]1c1[nH]cc[nH+]1 ZINC000527068524 562275412 /nfs/dbraw/zinc/27/54/12/562275412.db2.gz WURPPJDCXIFPQD-INIZCTEOSA-N 1 2 363.425 2.210 20 30 FEEDLO C=CCNC(=O)C[NH+]1CCN(Cc2cc(-c3ccccc3Cl)on2)CC1 ZINC000419172006 559431248 /nfs/dbraw/zinc/43/12/48/559431248.db2.gz JRMKEMARSMXYEE-UHFFFAOYSA-N 1 2 374.872 2.415 20 30 FEEDLO C[C@@H]1CN(c2ccc(CNC(=O)NCC3(C#N)CCC3)c[nH+]2)C[C@@H](C)O1 ZINC000419418373 559441344 /nfs/dbraw/zinc/44/13/44/559441344.db2.gz YFMKIESFTFCMLR-HUUCEWRRSA-N 1 2 357.458 2.188 20 30 FEEDLO N#Cc1ccc(CNC(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)s1 ZINC000420756370 559502585 /nfs/dbraw/zinc/50/25/85/559502585.db2.gz DUACERREVWFWPS-SFHVURJKSA-N 1 2 370.478 2.492 20 30 FEEDLO CCOC(=O)c1c(NC(=O)NCCNc2cccc[nH+]2)c(C#N)cn1CC ZINC000421164746 559528132 /nfs/dbraw/zinc/52/81/32/559528132.db2.gz LERHCOFRVQTLFP-UHFFFAOYSA-N 1 2 370.413 2.185 20 30 FEEDLO C=CCn1cc(CN[C@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)nn1 ZINC000424297278 559661140 /nfs/dbraw/zinc/66/11/40/559661140.db2.gz QBWRZENOVDMRKK-QZTJIDSGSA-N 1 2 361.877 2.279 20 30 FEEDLO C=CCn1cc(CN[C@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)nn1 ZINC000424297278 559661141 /nfs/dbraw/zinc/66/11/41/559661141.db2.gz QBWRZENOVDMRKK-QZTJIDSGSA-N 1 2 361.877 2.279 20 30 FEEDLO CC[C@](C)(C(=O)OC)[N@@H+](CC(=O)NCc1cccc(C#N)c1)CC1CC1 ZINC000425518204 559707363 /nfs/dbraw/zinc/70/73/63/559707363.db2.gz YESZOMNUQAOJGE-HXUWFJFHSA-N 1 2 357.454 2.228 20 30 FEEDLO CC[C@](C)(C(=O)OC)[N@H+](CC(=O)NCc1cccc(C#N)c1)CC1CC1 ZINC000425518204 559707364 /nfs/dbraw/zinc/70/73/64/559707364.db2.gz YESZOMNUQAOJGE-HXUWFJFHSA-N 1 2 357.454 2.228 20 30 FEEDLO Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)N[C@@H]2CC[C@H](C#N)C2)cc1 ZINC000425611962 559711660 /nfs/dbraw/zinc/71/16/60/559711660.db2.gz PGJRGWPOSSCLHQ-QXAKKESOSA-N 1 2 356.470 2.360 20 30 FEEDLO COc1cccc(OCC[NH+]2CCN(C(=O)N[C@@H]3CC[C@H](C#N)C3)CC2)c1 ZINC000425853606 559722910 /nfs/dbraw/zinc/72/29/10/559722910.db2.gz WGPVMFAZIKKFOW-DLBZAZTESA-N 1 2 372.469 2.093 20 30 FEEDLO CC(C)Cn1cc[nH+]c1CNC(=O)C(=O)N(C)[C@H](C)c1cccc(C#N)c1 ZINC000425882554 559723890 /nfs/dbraw/zinc/72/38/90/559723890.db2.gz IJAWIZHALQZBLP-OAHLLOKOSA-N 1 2 367.453 2.247 20 30 FEEDLO C=CCC[C@@H](C(=O)N1CC[NH+](CCn2cncn2)CC1)c1ccccc1 ZINC000427456070 559755819 /nfs/dbraw/zinc/75/58/19/559755819.db2.gz FMFZZZURCIGRTD-LJQANCHMSA-N 1 2 353.470 2.172 20 30 FEEDLO COC(=O)c1cc(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)cn1C ZINC000428458788 559776062 /nfs/dbraw/zinc/77/60/62/559776062.db2.gz JKVNHMLHAAKYOF-UHFFFAOYSA-N 1 2 356.401 2.145 20 30 FEEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc2[nH]c(N3CCOCC3)[nH+]c2c1 ZINC000429110824 559790999 /nfs/dbraw/zinc/79/09/99/559790999.db2.gz REPQLNMTUJCNSB-RHSMWYFYSA-N 1 2 356.426 2.319 20 30 FEEDLO Cc1c(C#N)cccc1NC(=O)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000431960096 559849388 /nfs/dbraw/zinc/84/93/88/559849388.db2.gz ZKOKVUPXLLXRCR-UHFFFAOYSA-N 1 2 359.389 2.307 20 30 FEEDLO N#Cc1cscc1C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000432068878 559851331 /nfs/dbraw/zinc/85/13/31/559851331.db2.gz ZUBKTWBCXGQBNY-UHFFFAOYSA-N 1 2 368.462 2.453 20 30 FEEDLO C[N@H+](CC(=O)N1CCC(C(=O)N2CCCCCC2)CC1)CC(C)(C)C#N ZINC000433303049 559876421 /nfs/dbraw/zinc/87/64/21/559876421.db2.gz KHTBPXLHDJLGFY-UHFFFAOYSA-N 1 2 362.518 2.109 20 30 FEEDLO C[N@@H+](CC(=O)N1CCC(C(=O)N2CCCCCC2)CC1)CC(C)(C)C#N ZINC000433303049 559876422 /nfs/dbraw/zinc/87/64/22/559876422.db2.gz KHTBPXLHDJLGFY-UHFFFAOYSA-N 1 2 362.518 2.109 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000438201886 559975656 /nfs/dbraw/zinc/97/56/56/559975656.db2.gz NCKGQQWISUBQET-AQNXPRMDSA-N 1 2 373.497 2.168 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000438201886 559975657 /nfs/dbraw/zinc/97/56/57/559975657.db2.gz NCKGQQWISUBQET-AQNXPRMDSA-N 1 2 373.497 2.168 20 30 FEEDLO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000438822692 559984174 /nfs/dbraw/zinc/98/41/74/559984174.db2.gz HPKZGGFUISOFLI-SFHVURJKSA-N 1 2 360.498 2.486 20 30 FEEDLO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000438822692 559984175 /nfs/dbraw/zinc/98/41/75/559984175.db2.gz HPKZGGFUISOFLI-SFHVURJKSA-N 1 2 360.498 2.486 20 30 FEEDLO C[C@@H](C[NH+]1CCOCC1)Nc1c(C#N)cnc2c(F)c(F)c(F)cc21 ZINC000439101683 559988490 /nfs/dbraw/zinc/98/84/90/559988490.db2.gz RLLQXAJYMKCOPL-JTQLQIEISA-N 1 2 350.344 2.078 20 30 FEEDLO C[C@H]1C[N@H+](Cc2ccc(C#N)cc2Cl)CCN1c1nccn2cnnc12 ZINC000439453164 559994358 /nfs/dbraw/zinc/99/43/58/559994358.db2.gz KIRRMDAWQZIHHG-ZDUSSCGKSA-N 1 2 367.844 2.360 20 30 FEEDLO C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2Cl)CCN1c1nccn2cnnc12 ZINC000439453164 559994359 /nfs/dbraw/zinc/99/43/59/559994359.db2.gz KIRRMDAWQZIHHG-ZDUSSCGKSA-N 1 2 367.844 2.360 20 30 FEEDLO N#Cc1cccc(C2(C(=O)Nc3ccc4c(c3)C[N@H+](CC(N)=O)CC4)CC2)c1 ZINC000447687405 560167305 /nfs/dbraw/zinc/16/73/05/560167305.db2.gz IVCDPPPPJFOOHP-UHFFFAOYSA-N 1 2 374.444 2.072 20 30 FEEDLO N#Cc1cccc(C2(C(=O)Nc3ccc4c(c3)C[N@@H+](CC(N)=O)CC4)CC2)c1 ZINC000447687405 560167306 /nfs/dbraw/zinc/16/73/06/560167306.db2.gz IVCDPPPPJFOOHP-UHFFFAOYSA-N 1 2 374.444 2.072 20 30 FEEDLO CC(C)(C)CCC1(O)CC(C(=O)N(CCC#N)CC[NH+]2CCOCC2)C1 ZINC000448837546 560201685 /nfs/dbraw/zinc/20/16/85/560201685.db2.gz UGEKFKXIAIIFJN-UHFFFAOYSA-N 1 2 365.518 2.028 20 30 FEEDLO CC1(C)COCC[N@@H+]1CCNC(=O)c1ccc(Br)cc1C#N ZINC000448894002 560205038 /nfs/dbraw/zinc/20/50/38/560205038.db2.gz GTECWWCKYDGJGK-UHFFFAOYSA-N 1 2 366.259 2.161 20 30 FEEDLO CC1(C)COCC[N@H+]1CCNC(=O)c1ccc(Br)cc1C#N ZINC000448894002 560205039 /nfs/dbraw/zinc/20/50/39/560205039.db2.gz GTECWWCKYDGJGK-UHFFFAOYSA-N 1 2 366.259 2.161 20 30 FEEDLO C[C@@H]1CN(c2ccc(CNc3ncc(C#N)cc3[N+](=O)[O-])c[nH+]2)C[C@@H](C)O1 ZINC000450258023 560256024 /nfs/dbraw/zinc/25/60/24/560256024.db2.gz YVTCATLYCSLLAD-CHWSQXEVSA-N 1 2 368.397 2.482 20 30 FEEDLO N#Cc1ccc(N(CC[NH+]2CCOCC2)Cc2ccco2)c([N+](=O)[O-])c1 ZINC000450937069 560279341 /nfs/dbraw/zinc/27/93/41/560279341.db2.gz HNJWZPLVFPYRBB-UHFFFAOYSA-N 1 2 356.382 2.398 20 30 FEEDLO CC(C)[N@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C1COC1 ZINC000451119562 560288180 /nfs/dbraw/zinc/28/81/80/560288180.db2.gz GAWAHNIHBJCEID-UHFFFAOYSA-N 1 2 354.372 2.282 20 30 FEEDLO CC(C)[N@@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C1COC1 ZINC000451119562 560288181 /nfs/dbraw/zinc/28/81/81/560288181.db2.gz GAWAHNIHBJCEID-UHFFFAOYSA-N 1 2 354.372 2.282 20 30 FEEDLO COc1cc(C[N@@H+]2CCN(C(=O)c3cscn3)[C@@H](C)C2)ccc1C#N ZINC000453574861 560389163 /nfs/dbraw/zinc/38/91/63/560389163.db2.gz MLBDNUMSHPORPH-ZDUSSCGKSA-N 1 2 356.451 2.370 20 30 FEEDLO COc1cc(C[N@H+]2CCN(C(=O)c3cscn3)[C@@H](C)C2)ccc1C#N ZINC000453574861 560389164 /nfs/dbraw/zinc/38/91/64/560389164.db2.gz MLBDNUMSHPORPH-ZDUSSCGKSA-N 1 2 356.451 2.370 20 30 FEEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 ZINC000453604670 560390781 /nfs/dbraw/zinc/39/07/81/560390781.db2.gz WAIBAJQCIUQXIC-ZDUSSCGKSA-N 1 2 369.425 2.075 20 30 FEEDLO C=CCC[C@H](NC(=O)[C@H](C(C)C)[NH+]1C[C@@H](C)O[C@H](C)C1)C(=O)OCC ZINC000456636745 560526691 /nfs/dbraw/zinc/52/66/91/560526691.db2.gz YHMYBIXNPZTDBJ-NCOADZHNSA-N 1 2 354.491 2.134 20 30 FEEDLO Cc1cc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)ncc1C#N ZINC000457419335 560565842 /nfs/dbraw/zinc/56/58/42/560565842.db2.gz NDUOQSBTEZAGAG-LJQANCHMSA-N 1 2 350.422 2.065 20 30 FEEDLO CC(C)(CC#N)CNC(=O)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000457430270 560566320 /nfs/dbraw/zinc/56/63/20/560566320.db2.gz GWFYCVPJODJGQF-CQSZACIVSA-N 1 2 350.488 2.360 20 30 FEEDLO Cc1cc(NC(=O)C2CC[NH+](Cc3c(C#N)cccc3[N+](=O)[O-])CC2)no1 ZINC000459356493 560682118 /nfs/dbraw/zinc/68/21/18/560682118.db2.gz XUDYPPMALYPZCO-UHFFFAOYSA-N 1 2 369.381 2.614 20 30 FEEDLO C=C[C@@H](CO)NC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000460179040 560737252 /nfs/dbraw/zinc/73/72/52/560737252.db2.gz XBRVQSPIALBVMF-WFASDCNBSA-N 1 2 355.841 2.462 20 30 FEEDLO COc1cc(C[NH+]2CCN(C(=O)N[C@@H]3CCC[C@H]3C#N)CC2)cc(OC)c1 ZINC000461960954 560789906 /nfs/dbraw/zinc/78/99/06/560789906.db2.gz WXKURPBJRFWWPW-QFBILLFUSA-N 1 2 372.469 2.223 20 30 FEEDLO COc1ccccc1-c1noc([C@@H](C)[NH2+][C@H](C)C(=O)NC2(C#N)CCC2)n1 ZINC000469020961 560945084 /nfs/dbraw/zinc/94/50/84/560945084.db2.gz OYXXTZHBXOAJKI-CHWSQXEVSA-N 1 2 369.425 2.347 20 30 FEEDLO COc1cccc(-c2noc([C@@H](C)[NH2+][C@H](C)C(=O)NC3(C#N)CCC3)n2)c1 ZINC000469307829 560952270 /nfs/dbraw/zinc/95/22/70/560952270.db2.gz VPCYUHZWEXVTHZ-CHWSQXEVSA-N 1 2 369.425 2.347 20 30 FEEDLO CCN(CCC#N)C(=O)C[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000471019376 560996472 /nfs/dbraw/zinc/99/64/72/560996472.db2.gz RQABILHLBTUCJI-SFHVURJKSA-N 1 2 373.888 2.284 20 30 FEEDLO Cc1nn(C)c(N2CC[NH+](CCC(=O)c3ccc(F)cc3)CC2)c1C#N ZINC000472158287 561019874 /nfs/dbraw/zinc/01/98/74/561019874.db2.gz QCCDOGZFLDPRCM-UHFFFAOYSA-N 1 2 355.417 2.134 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ccc(-c4nc[nH]n4)cc3)CC2)cc1 ZINC000473496488 561051175 /nfs/dbraw/zinc/05/11/75/561051175.db2.gz NYGPZSPZDKZMSY-UHFFFAOYSA-N 1 2 372.432 2.301 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)C[C@@H](CC#N)c1ccccc1 ZINC000475460887 561097953 /nfs/dbraw/zinc/09/79/53/561097953.db2.gz QWNILBHGCGCWAZ-LJQANCHMSA-N 1 2 354.454 2.148 20 30 FEEDLO N#Cc1ccc2[nH+]cc(CNc3ccc(F)c(N4C(=O)CNC4=O)c3)n2c1 ZINC000475617028 561100928 /nfs/dbraw/zinc/10/09/28/561100928.db2.gz IUKQLEYZJIHSPC-UHFFFAOYSA-N 1 2 364.340 2.013 20 30 FEEDLO C[C@]1(CO)C[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C[C@@]1(C)CO ZINC000528748531 562345624 /nfs/dbraw/zinc/34/56/24/562345624.db2.gz PSZYXRJRBRXANM-OYRHEFFESA-N 1 2 369.465 2.050 20 30 FEEDLO C[C@]1(CO)C[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C[C@@]1(C)CO ZINC000528748531 562345625 /nfs/dbraw/zinc/34/56/25/562345625.db2.gz PSZYXRJRBRXANM-OYRHEFFESA-N 1 2 369.465 2.050 20 30 FEEDLO N#Cc1ccc(C2(NC(=O)[C@H]3CCc4[nH+]c[nH]c4C3)CCOCC2)cc1 ZINC000530060648 562396379 /nfs/dbraw/zinc/39/63/79/562396379.db2.gz NEPPPDXYWZPETQ-HNNXBMFYSA-N 1 2 350.422 2.208 20 30 FEEDLO N#Cc1ccc(C2(NC(=O)[C@H]3CCc4[nH]c[nH+]c4C3)CCOCC2)cc1 ZINC000530060648 562396380 /nfs/dbraw/zinc/39/63/80/562396380.db2.gz NEPPPDXYWZPETQ-HNNXBMFYSA-N 1 2 350.422 2.208 20 30 FEEDLO N#Cc1cccc(CC(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)c1 ZINC000531153440 562436568 /nfs/dbraw/zinc/43/65/68/562436568.db2.gz ZBMVFEGBWMIDRS-OAQYLSRUSA-N 1 2 363.461 2.160 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)C1=O ZINC000531700481 562454274 /nfs/dbraw/zinc/45/42/74/562454274.db2.gz GXUIRXRBLBLYLO-OKGBLQAJSA-N 1 2 359.514 2.179 20 30 FEEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)C1=O ZINC000531700481 562454275 /nfs/dbraw/zinc/45/42/75/562454275.db2.gz GXUIRXRBLBLYLO-OKGBLQAJSA-N 1 2 359.514 2.179 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ccc(-n4ccnn4)cc3)CC2)cc1 ZINC000534142137 562526434 /nfs/dbraw/zinc/52/64/34/562526434.db2.gz ZGYDIAZTDXRULO-UHFFFAOYSA-N 1 2 372.432 2.097 20 30 FEEDLO C[C@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@H]1CCCOC1 ZINC000540938292 562597606 /nfs/dbraw/zinc/59/76/06/562597606.db2.gz QARFKDDLQRFZHF-LPHOPBHVSA-N 1 2 356.470 2.201 20 30 FEEDLO N#Cc1ccc(C[N@H+]2CCCN(S(=O)(=O)c3cccc(N)c3)CC2)cc1 ZINC000545972544 562631897 /nfs/dbraw/zinc/63/18/97/562631897.db2.gz ZOLSRBJDENTNFP-UHFFFAOYSA-N 1 2 370.478 2.037 20 30 FEEDLO N#Cc1ccc(C[N@@H+]2CCCN(S(=O)(=O)c3cccc(N)c3)CC2)cc1 ZINC000545972544 562631898 /nfs/dbraw/zinc/63/18/98/562631898.db2.gz ZOLSRBJDENTNFP-UHFFFAOYSA-N 1 2 370.478 2.037 20 30 FEEDLO COc1cc(C#N)ccc1NC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000546002871 562632499 /nfs/dbraw/zinc/63/24/99/562632499.db2.gz RTFCFJVPWRGELJ-INIZCTEOSA-N 1 2 358.442 2.285 20 30 FEEDLO N#Cc1c(Br)cccc1S(=O)(=O)N1CCc2c[nH+]ccc21 ZINC000555948019 674382934 /nfs/dbraw/zinc/38/29/34/674382934.db2.gz OKUXCGBNRVRAOJ-UHFFFAOYSA-N 1 2 364.224 2.467 20 30 FEEDLO COc1cc2c(cc1OC)C[N@H+](CC(=O)N(C)[C@H]1CCC[C@H]1C#N)CC2 ZINC000601814907 567846618 /nfs/dbraw/zinc/84/66/18/567846618.db2.gz PXEJEZVJQVDUDA-RDJZCZTQSA-N 1 2 357.454 2.213 20 30 FEEDLO COc1cc2c(cc1OC)C[N@@H+](CC(=O)N(C)[C@H]1CCC[C@H]1C#N)CC2 ZINC000601814907 567846620 /nfs/dbraw/zinc/84/66/20/567846620.db2.gz PXEJEZVJQVDUDA-RDJZCZTQSA-N 1 2 357.454 2.213 20 30 FEEDLO COC(=O)c1ccc(C)c(NC(=O)[C@H](C)[N@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)c1 ZINC000602857125 568002603 /nfs/dbraw/zinc/00/26/03/568002603.db2.gz PHRSNEQMARAPGB-XHSDSOJGSA-N 1 2 372.469 2.027 20 30 FEEDLO COC(=O)c1ccc(C)c(NC(=O)[C@H](C)[N@@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)c1 ZINC000602857125 568002604 /nfs/dbraw/zinc/00/26/04/568002604.db2.gz PHRSNEQMARAPGB-XHSDSOJGSA-N 1 2 372.469 2.027 20 30 FEEDLO C[C@H](C(=O)N1CCSc2ccccc21)[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602861899 568049766 /nfs/dbraw/zinc/04/97/66/568049766.db2.gz MPBYCXUYRVAHIB-OWCLPIDISA-N 1 2 358.511 2.432 20 30 FEEDLO C[C@H](C(=O)N1CCSc2ccccc21)[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602861899 568049767 /nfs/dbraw/zinc/04/97/67/568049767.db2.gz MPBYCXUYRVAHIB-OWCLPIDISA-N 1 2 358.511 2.432 20 30 FEEDLO CC#CC[NH2+]Cc1cn([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)nn1 ZINC000603197660 568072765 /nfs/dbraw/zinc/07/27/65/568072765.db2.gz OESZJSMUNVHCEA-OAHLLOKOSA-N 1 2 368.416 2.038 20 30 FEEDLO CC#CC[NH2+]Cc1cn([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)nn1 ZINC000603204536 568073354 /nfs/dbraw/zinc/07/33/54/568073354.db2.gz UYWVDLAWUPRTDH-LBPRGKRZSA-N 1 2 368.466 2.013 20 30 FEEDLO CC#CC[NH2+]Cc1cn(Cc2c3ccccc3sc2C(=O)OC)nn1 ZINC000603215720 568076711 /nfs/dbraw/zinc/07/67/11/568076711.db2.gz QUVZUNJPXWPYST-UHFFFAOYSA-N 1 2 354.435 2.441 20 30 FEEDLO CN(C(=O)NC1CCN(CC#N)CC1)[C@@H](c1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000603429063 568096869 /nfs/dbraw/zinc/09/68/69/568096869.db2.gz SXMYRUXBMUAQTN-QGZVFWFLSA-N 1 2 370.432 2.268 20 30 FEEDLO Cc1cccn2cc(CC(=O)Nc3ccccc3-n3cnc(C#N)n3)[nH+]c12 ZINC000584713124 568372355 /nfs/dbraw/zinc/37/23/55/568372355.db2.gz ZXBQDYFEGYOLGX-UHFFFAOYSA-N 1 2 357.377 2.276 20 30 FEEDLO C[N@@H+]1CCN(C(=O)CCCCCC#N)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000807078340 674403960 /nfs/dbraw/zinc/40/39/60/674403960.db2.gz QBXWZRBGLJIBJN-HNNXBMFYSA-N 1 2 352.479 2.128 20 30 FEEDLO C[N@H+]1CCN(C(=O)CCCCCC#N)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000807078340 674403961 /nfs/dbraw/zinc/40/39/61/674403961.db2.gz QBXWZRBGLJIBJN-HNNXBMFYSA-N 1 2 352.479 2.128 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(c3ccccc3-c3nn[nH]n3)CC2)c(F)c1 ZINC000737711331 598253931 /nfs/dbraw/zinc/25/39/31/598253931.db2.gz IQZUGBVDBDNWQH-UHFFFAOYSA-N 1 2 363.400 2.200 20 30 FEEDLO C[N@H+](Cc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1)Cc1ccc(C#N)cc1 ZINC000821609875 599559068 /nfs/dbraw/zinc/55/90/68/599559068.db2.gz PPPGXXHPXQTPHP-UHFFFAOYSA-N 1 2 372.392 2.420 20 30 FEEDLO C[N@@H+](Cc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1)Cc1ccc(C#N)cc1 ZINC000821609875 599559069 /nfs/dbraw/zinc/55/90/69/599559069.db2.gz PPPGXXHPXQTPHP-UHFFFAOYSA-N 1 2 372.392 2.420 20 30 FEEDLO C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)CN1C[C@H](C2CC2)CC1=O ZINC000823914668 608096639 /nfs/dbraw/zinc/09/66/39/608096639.db2.gz LLGUSBZKBYVLDM-QGZVFWFLSA-N 1 2 352.442 2.071 20 30 FEEDLO C=CC[N@H+](Cc1cccc(-c2nn[nH]n2)c1)CN1C[C@H](C2CC2)CC1=O ZINC000823914668 608096640 /nfs/dbraw/zinc/09/66/40/608096640.db2.gz LLGUSBZKBYVLDM-QGZVFWFLSA-N 1 2 352.442 2.071 20 30 FEEDLO C=CC[N@@H+](Cc1c(C)nn(C)c1OC)Cc1cccc(-c2nn[nH]n2)c1 ZINC000823914811 608632517 /nfs/dbraw/zinc/63/25/17/608632517.db2.gz NXITYSPMTSIBHD-UHFFFAOYSA-N 1 2 353.430 2.105 20 30 FEEDLO C=CC[N@H+](Cc1c(C)nn(C)c1OC)Cc1cccc(-c2nn[nH]n2)c1 ZINC000823914811 608632519 /nfs/dbraw/zinc/63/25/19/608632519.db2.gz NXITYSPMTSIBHD-UHFFFAOYSA-N 1 2 353.430 2.105 20 30 FEEDLO Cc1c(C(=O)C=Cc2cccc3[nH+]ccn32)c(-c2nn[nH]n2)c2n1CCC2 ZINC000826234313 608753363 /nfs/dbraw/zinc/75/33/63/608753363.db2.gz QFWBIQFUIGTAOR-FPLPWBNLSA-N 1 2 359.393 2.467 20 30 FEEDLO C[C@@H](C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)[NH+]1CCC(C)(C#N)CC1 ZINC000824045627 609141927 /nfs/dbraw/zinc/14/19/27/609141927.db2.gz NPFWIWNYHYTGCB-NSHDSACASA-N 1 2 373.848 2.473 20 30 FEEDLO C#CCNC(=O)CC[N@@H+](CC)[C@H](C(=O)OCC)c1ccc(Cl)cc1 ZINC000815079166 674913419 /nfs/dbraw/zinc/91/34/19/674913419.db2.gz OJRVDPCGWMBPAS-KRWDZBQOSA-N 1 2 350.846 2.406 20 30 FEEDLO C#CCNC(=O)CC[N@H+](CC)[C@H](C(=O)OCC)c1ccc(Cl)cc1 ZINC000815079166 674913422 /nfs/dbraw/zinc/91/34/22/674913422.db2.gz OJRVDPCGWMBPAS-KRWDZBQOSA-N 1 2 350.846 2.406 20 30 FEEDLO CC[C@@H]1C[C@H]1C(=O)N(C)[C@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@@H]1O ZINC001047535562 674959357 /nfs/dbraw/zinc/95/93/57/674959357.db2.gz GEKFGJXSZSVXDF-YSHGAJCASA-N 1 2 360.885 2.241 20 30 FEEDLO CC[C@@H]1C[C@H]1C(=O)N(C)[C@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@@H]1O ZINC001047535562 674959359 /nfs/dbraw/zinc/95/93/59/674959359.db2.gz GEKFGJXSZSVXDF-YSHGAJCASA-N 1 2 360.885 2.241 20 30 FEEDLO C=C[C@@](C)(O)CC(=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000576987014 671409011 /nfs/dbraw/zinc/40/90/11/671409011.db2.gz IPFAGMONCASNHU-GOSISDBHSA-N 1 2 352.862 2.190 20 30 FEEDLO N#Cc1cccc(CNC(=O)C[N@H+]2CCC[C@H](OCC(F)(F)F)C2)c1 ZINC000610002210 675946643 /nfs/dbraw/zinc/94/66/43/675946643.db2.gz PJKUPXRWMKOOSP-HNNXBMFYSA-N 1 2 355.360 2.218 20 30 FEEDLO N#Cc1cccc(CNC(=O)C[N@@H+]2CCC[C@H](OCC(F)(F)F)C2)c1 ZINC000610002210 675946647 /nfs/dbraw/zinc/94/66/47/675946647.db2.gz PJKUPXRWMKOOSP-HNNXBMFYSA-N 1 2 355.360 2.218 20 30 FEEDLO N#Cc1cc(Cl)ccc1S(=O)(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000611018866 676011334 /nfs/dbraw/zinc/01/13/34/676011334.db2.gz ZCNTYUIQAKNAAC-AWEZNQCLSA-N 1 2 350.831 2.434 20 30 FEEDLO Cn1cc[nH+]c1C[C@H](NS(=O)(=O)c1ccc(C#N)o1)c1ccccc1 ZINC000588116977 672450660 /nfs/dbraw/zinc/45/06/60/672450660.db2.gz HARSBMZQCNMUBG-HNNXBMFYSA-N 1 2 356.407 2.147 20 30 FEEDLO C[C@@H]1CC[N@H+](CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C[C@H]1F ZINC000611502218 676041076 /nfs/dbraw/zinc/04/10/76/676041076.db2.gz PLXAWBMZOCKBHG-OAGGEKHMSA-N 1 2 364.490 2.137 20 30 FEEDLO C[C@@H]1CC[N@@H+](CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C[C@H]1F ZINC000611502218 676041079 /nfs/dbraw/zinc/04/10/79/676041079.db2.gz PLXAWBMZOCKBHG-OAGGEKHMSA-N 1 2 364.490 2.137 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C)Cc1ccc2c(c1)OC(F)(F)O2 ZINC000594035802 673023664 /nfs/dbraw/zinc/02/36/64/673023664.db2.gz WHJRMISSIIEPQT-MRXNPFEDSA-N 1 2 353.369 2.494 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)Cc1ccc2c(c1)OC(F)(F)O2 ZINC000594035802 673023669 /nfs/dbraw/zinc/02/36/69/673023669.db2.gz WHJRMISSIIEPQT-MRXNPFEDSA-N 1 2 353.369 2.494 20 30 FEEDLO C[C@@H]1CCC[C@H](CC(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000329619561 673080507 /nfs/dbraw/zinc/08/05/07/673080507.db2.gz TZBOHVBIZSKBID-IKGGRYGDSA-N 1 2 351.491 2.092 20 30 FEEDLO C#Cc1cccc(NC(=S)NC[C@]2([NH+]3CCOCC3)CCSC2)c1 ZINC000726476456 673125736 /nfs/dbraw/zinc/12/57/36/673125736.db2.gz HEJRWVFVCPEYJE-GOSISDBHSA-N 1 2 361.536 2.162 20 30 FEEDLO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)NCCc1cn(C)c[nH+]1 ZINC000594785609 673141569 /nfs/dbraw/zinc/14/15/69/673141569.db2.gz TVWWWHLBNRMZOE-UHFFFAOYSA-N 1 2 360.464 2.336 20 30 FEEDLO Cc1cc(=O)[nH]c(C(C)(C)[NH2+]CC(=O)Nc2cc(Cl)ccc2C#N)n1 ZINC000595524913 673261352 /nfs/dbraw/zinc/26/13/52/673261352.db2.gz ALTMDJGODDHDJS-UHFFFAOYSA-N 1 2 359.817 2.479 20 30 FEEDLO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](CO)c1cccc(Cl)c1Cl ZINC000595828264 673328449 /nfs/dbraw/zinc/32/84/49/673328449.db2.gz JOCDSTDTVTXOCC-JOYOIKCWSA-N 1 2 360.241 2.017 20 30 FEEDLO Cc1sc(NC(=O)C[N@H+]2CCC[C@@H](C(=O)NC(C)C)C2)c(C#N)c1C ZINC000595848447 673329654 /nfs/dbraw/zinc/32/96/54/673329654.db2.gz AXYIPUGQKTXGLI-CQSZACIVSA-N 1 2 362.499 2.412 20 30 FEEDLO Cc1sc(NC(=O)C[N@@H+]2CCC[C@@H](C(=O)NC(C)C)C2)c(C#N)c1C ZINC000595848447 673329659 /nfs/dbraw/zinc/32/96/59/673329659.db2.gz AXYIPUGQKTXGLI-CQSZACIVSA-N 1 2 362.499 2.412 20 30 FEEDLO C#CCC[NH+]1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000731445962 673330957 /nfs/dbraw/zinc/33/09/57/673330957.db2.gz LNFDHQGMSDLTSS-UHFFFAOYSA-N 1 2 361.294 2.464 20 30 FEEDLO C[C@@H]1C[N@H+](CCNC(=O)NCc2ccc(C#N)c(Cl)c2)[C@@H](C)CO1 ZINC000596593254 673396135 /nfs/dbraw/zinc/39/61/35/673396135.db2.gz CXNLBFJNLASXJM-QWHCGFSZSA-N 1 2 350.850 2.120 20 30 FEEDLO C[C@@H]1C[N@@H+](CCNC(=O)NCc2ccc(C#N)c(Cl)c2)[C@@H](C)CO1 ZINC000596593254 673396138 /nfs/dbraw/zinc/39/61/38/673396138.db2.gz CXNLBFJNLASXJM-QWHCGFSZSA-N 1 2 350.850 2.120 20 30 FEEDLO CC(=CS(C)(=O)=O)NNc1cc(C(F)(F)F)nc(-c2cccnc2)[nH+]1 ZINC000733080574 673397304 /nfs/dbraw/zinc/39/73/04/673397304.db2.gz QXHMXIFMPWXVRX-UHFFFAOYSA-N 1 2 373.360 2.390 20 30 FEEDLO CSc1nc(C2CC2)cc(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)c1C#N ZINC000548639884 673982830 /nfs/dbraw/zinc/98/28/30/673982830.db2.gz HHYRTFPMBAFGEW-GFCCVEGCSA-N 1 2 353.451 2.494 20 30 FEEDLO C=CCc1ccccc1OC[C@H](O)C[NH2+]Cc1n[nH]cc1Br ZINC000567678819 675311498 /nfs/dbraw/zinc/31/14/98/675311498.db2.gz AQFIBWMABQQYSZ-CYBMUJFWSA-N 1 2 366.259 2.430 20 30 FEEDLO C[S@@](=O)CC[NH+]1CCN(c2c(C#N)cnc3c(Cl)cccc32)CC1 ZINC000825770904 675668378 /nfs/dbraw/zinc/66/83/78/675668378.db2.gz SFAOEQROTOOFMX-XMMPIXPASA-N 1 2 362.886 2.260 20 30 FEEDLO N#Cc1ccc(CNc2nc(NCCO)c3ccccc3[nH+]2)cc1Cl ZINC000619747385 676393001 /nfs/dbraw/zinc/39/30/01/676393001.db2.gz YDKFORFDALYFKA-UHFFFAOYSA-N 1 2 353.813 2.015 20 30 FEEDLO C=CCNS(=O)(=O)c1ccccc1N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000641435336 677206082 /nfs/dbraw/zinc/20/60/82/677206082.db2.gz GNJHYSAVWUTYQQ-WBVHZDCISA-N 1 2 360.483 2.435 20 30 FEEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)nn1 ZINC000648840184 677321501 /nfs/dbraw/zinc/32/15/01/677321501.db2.gz GCVJDVUAUZSNOM-GDBMZVCRSA-N 1 2 363.824 2.432 20 30 FEEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)nn1 ZINC000648840184 677321502 /nfs/dbraw/zinc/32/15/02/677321502.db2.gz GCVJDVUAUZSNOM-GDBMZVCRSA-N 1 2 363.824 2.432 20 30 FEEDLO C=CC[C@@H]1CCC[N@@H+](CC(=O)Nc2cc(S(N)(=O)=O)ccc2Cl)C1 ZINC000661381320 678472554 /nfs/dbraw/zinc/47/25/54/678472554.db2.gz IXTNZDZWNBQQKL-GFCCVEGCSA-N 1 2 371.890 2.214 20 30 FEEDLO C=CC[C@@H]1CCC[N@H+](CC(=O)Nc2cc(S(N)(=O)=O)ccc2Cl)C1 ZINC000661381320 678472556 /nfs/dbraw/zinc/47/25/56/678472556.db2.gz IXTNZDZWNBQQKL-GFCCVEGCSA-N 1 2 371.890 2.214 20 30 FEEDLO C=CCN1CCN(C[NH+]2CCC(N(C)C(=O)OC(C)(C)C)CC2)C1=O ZINC000839994956 680791715 /nfs/dbraw/zinc/79/17/15/680791715.db2.gz TZILKZQFJHPDCD-UHFFFAOYSA-N 1 2 352.479 2.199 20 30 FEEDLO C#CCNC(=O)C1CC[NH+]([C@H](C)C(=O)Nc2cc(Cl)ccc2F)CC1 ZINC000747818043 679904774 /nfs/dbraw/zinc/90/47/74/679904774.db2.gz FVAUPTLYECAFLU-GFCCVEGCSA-N 1 2 365.836 2.268 20 30 FEEDLO Cn1c[nH+]cc1COC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 ZINC000835194432 680305792 /nfs/dbraw/zinc/30/57/92/680305792.db2.gz RKNFDVATIWNOAA-LBPRGKRZSA-N 1 2 358.785 2.041 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([NH2+]Cc2nnsc2Cl)CC1 ZINC000996599868 680336382 /nfs/dbraw/zinc/33/63/82/680336382.db2.gz DFGRJHVXDDPKEY-OCCSQVGLSA-N 1 2 370.906 2.253 20 30 FEEDLO C=C(Cl)C(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@H]2C1 ZINC000986572748 680520278 /nfs/dbraw/zinc/52/02/78/680520278.db2.gz AQTDJLZLCHSXML-KGLIPLIRSA-N 1 2 364.877 2.038 20 30 FEEDLO CSCCNC(=S)NN=C(C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000769604809 680988701 /nfs/dbraw/zinc/98/87/01/680988701.db2.gz KWORGRHHIHNMIM-INIZCTEOSA-N 1 2 366.556 2.090 20 30 FEEDLO CSCCNC(=S)NN=C(C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000769604809 680988702 /nfs/dbraw/zinc/98/87/02/680988702.db2.gz KWORGRHHIHNMIM-INIZCTEOSA-N 1 2 366.556 2.090 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1COCC[N@@H+]1CCc1cccs1 ZINC001050924579 681058110 /nfs/dbraw/zinc/05/81/10/681058110.db2.gz GVHUNSRUTXWYLB-NXHRZFHOSA-N 1 2 364.511 2.089 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1COCC[N@H+]1CCc1cccs1 ZINC001050924579 681058111 /nfs/dbraw/zinc/05/81/11/681058111.db2.gz GVHUNSRUTXWYLB-NXHRZFHOSA-N 1 2 364.511 2.089 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1COCC[N@@H+]1CCc1cccs1 ZINC001050924576 681058201 /nfs/dbraw/zinc/05/82/01/681058201.db2.gz GVHUNSRUTXWYLB-JQHSSLGASA-N 1 2 364.511 2.089 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1COCC[N@H+]1CCc1cccs1 ZINC001050924576 681058203 /nfs/dbraw/zinc/05/82/03/681058203.db2.gz GVHUNSRUTXWYLB-JQHSSLGASA-N 1 2 364.511 2.089 20 30 FEEDLO C=C(Br)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC1 ZINC001052461655 681079080 /nfs/dbraw/zinc/07/90/80/681079080.db2.gz WZBIHMBXEQWWIC-MGPQQGTHSA-N 1 2 367.291 2.393 20 30 FEEDLO C=C(Br)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC1 ZINC001052461655 681079085 /nfs/dbraw/zinc/07/90/85/681079085.db2.gz WZBIHMBXEQWWIC-MGPQQGTHSA-N 1 2 367.291 2.393 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2nnc(CC)s2)CC1 ZINC001052723483 681084359 /nfs/dbraw/zinc/08/43/59/681084359.db2.gz SBZIHISEKDFDSD-KFWWJZLASA-N 1 2 364.515 2.162 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2nnc(CC)s2)CC1 ZINC001052723483 681084360 /nfs/dbraw/zinc/08/43/60/681084360.db2.gz SBZIHISEKDFDSD-KFWWJZLASA-N 1 2 364.515 2.162 20 30 FEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](Cc2nncs2)CC1 ZINC001052780343 681085981 /nfs/dbraw/zinc/08/59/81/681085981.db2.gz UDDFIEANFPRZEA-ZOBUZTSGSA-N 1 2 364.515 2.380 20 30 FEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2nncs2)CC1 ZINC001052780343 681085983 /nfs/dbraw/zinc/08/59/83/681085983.db2.gz UDDFIEANFPRZEA-ZOBUZTSGSA-N 1 2 364.515 2.380 20 30 FEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2nncs2)CC1 ZINC001052780340 681086189 /nfs/dbraw/zinc/08/61/89/681086189.db2.gz UDDFIEANFPRZEA-VYDXJSESSA-N 1 2 364.515 2.380 20 30 FEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2nncs2)CC1 ZINC001052780340 681086193 /nfs/dbraw/zinc/08/61/93/681086193.db2.gz UDDFIEANFPRZEA-VYDXJSESSA-N 1 2 364.515 2.380 20 30 FEEDLO C[N@H+](CC(=O)[C@@H](C#N)C(=O)Nc1ccccc1Cl)[C@@H]1CCSC1 ZINC000773979585 681163209 /nfs/dbraw/zinc/16/32/09/681163209.db2.gz INYMRHLEAKWJBI-VXGBXAGGSA-N 1 2 351.859 2.425 20 30 FEEDLO C[N@@H+](CC(=O)[C@@H](C#N)C(=O)Nc1ccccc1Cl)[C@@H]1CCSC1 ZINC000773979585 681163210 /nfs/dbraw/zinc/16/32/10/681163210.db2.gz INYMRHLEAKWJBI-VXGBXAGGSA-N 1 2 351.859 2.425 20 30 FEEDLO N#Cc1c(Cl)nsc1N[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001059870948 681188021 /nfs/dbraw/zinc/18/80/21/681188021.db2.gz KXAXXFAAMDAZJK-UTINFBMNSA-N 1 2 362.846 2.254 20 30 FEEDLO N#Cc1c(Cl)nsc1N[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001059870948 681188025 /nfs/dbraw/zinc/18/80/25/681188025.db2.gz KXAXXFAAMDAZJK-UTINFBMNSA-N 1 2 362.846 2.254 20 30 FEEDLO FC1(F)[C@H]2C[NH+](CC3OCCO3)C[C@@H]2C(F)(F)C(F)(F)C1(F)F ZINC000932949210 681334343 /nfs/dbraw/zinc/33/43/43/681334343.db2.gz OHOJOQDWEIQPLU-BQBZGAKWSA-N 1 2 355.225 2.462 20 30 FEEDLO COC(=O)N(C)CC[N@H+](C)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000852571661 682302365 /nfs/dbraw/zinc/30/23/65/682302365.db2.gz AFEYEXSQXRYEFB-UHFFFAOYSA-N 1 2 366.849 2.217 20 30 FEEDLO COC(=O)N(C)CC[N@@H+](C)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000852571661 682302372 /nfs/dbraw/zinc/30/23/72/682302372.db2.gz AFEYEXSQXRYEFB-UHFFFAOYSA-N 1 2 366.849 2.217 20 30 FEEDLO C=C[C@H](C(=O)OC)[NH+]1CCC([C@H]2CCCN(C(=O)C(F)(F)F)C2)CC1 ZINC000852600259 682306523 /nfs/dbraw/zinc/30/65/23/682306523.db2.gz GCJCADWNGJYIOA-UONOGXRCSA-N 1 2 362.392 2.227 20 30 FEEDLO C#CCCCOc1ccc[nH+]c1NC1CCN(S(=O)(=O)CCC)CC1 ZINC000853160531 682384774 /nfs/dbraw/zinc/38/47/74/682384774.db2.gz BVMSIXIPQKPVCJ-UHFFFAOYSA-N 1 2 365.499 2.490 20 30 FEEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCC[C@H]3C(F)(F)F)C2)C1 ZINC000972421788 682414319 /nfs/dbraw/zinc/41/43/19/682414319.db2.gz KCNZDYVEUXZYQL-BFYDXBDKSA-N 1 2 358.404 2.292 20 30 FEEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCC[C@H]3C(F)(F)F)C2)C1 ZINC000972421788 682414321 /nfs/dbraw/zinc/41/43/21/682414321.db2.gz KCNZDYVEUXZYQL-BFYDXBDKSA-N 1 2 358.404 2.292 20 30 FEEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3ccc(C)s3)C2)C1 ZINC000972594698 682425163 /nfs/dbraw/zinc/42/51/63/682425163.db2.gz UZIALGAVNUWFOT-MBOZVWFJSA-N 1 2 358.507 2.487 20 30 FEEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3ccc(C)s3)C2)C1 ZINC000972594698 682425166 /nfs/dbraw/zinc/42/51/66/682425166.db2.gz UZIALGAVNUWFOT-MBOZVWFJSA-N 1 2 358.507 2.487 20 30 FEEDLO C#CCC[N@@H+](CCOC)CN1Cc2c(cccc2Br)C1=O ZINC000853620909 682446480 /nfs/dbraw/zinc/44/64/80/682446480.db2.gz JIBPTCGQVNRBCM-UHFFFAOYSA-N 1 2 351.244 2.334 20 30 FEEDLO C#CCC[N@H+](CCOC)CN1Cc2c(cccc2Br)C1=O ZINC000853620909 682446482 /nfs/dbraw/zinc/44/64/82/682446482.db2.gz JIBPTCGQVNRBCM-UHFFFAOYSA-N 1 2 351.244 2.334 20 30 FEEDLO C[NH+](C)CCCOC(=O)CSc1[nH]c(=O)cc(C(F)(F)F)c1C#N ZINC000791536079 682749504 /nfs/dbraw/zinc/74/95/04/682749504.db2.gz KCQWZRHMMHLEJJ-UHFFFAOYSA-N 1 2 363.361 2.265 20 30 FEEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](CCS(=O)(=O)C3CCCCC3)C2)nc1 ZINC000856744861 682803553 /nfs/dbraw/zinc/80/35/53/682803553.db2.gz WPAKRAWOIZSWTK-MRXNPFEDSA-N 1 2 363.483 2.154 20 30 FEEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](CCS(=O)(=O)C3CCCCC3)C2)nc1 ZINC000856744861 682803558 /nfs/dbraw/zinc/80/35/58/682803558.db2.gz WPAKRAWOIZSWTK-MRXNPFEDSA-N 1 2 363.483 2.154 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)c(Cl)c1 ZINC000921321679 683423094 /nfs/dbraw/zinc/42/30/94/683423094.db2.gz ILBGJEOIGDGOQK-ZIAGYGMSSA-N 1 2 371.915 2.070 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)N[C@@H]2CCC[N@H+]3CCSC[C@H]23)c(Cl)c1 ZINC000921321679 683423097 /nfs/dbraw/zinc/42/30/97/683423097.db2.gz ILBGJEOIGDGOQK-ZIAGYGMSSA-N 1 2 371.915 2.070 20 30 FEEDLO C[C@H]1C[N@H+](CCNC(=O)Nc2cc(C#N)ccc2OC(F)F)CCO1 ZINC000930180156 683689417 /nfs/dbraw/zinc/68/94/17/683689417.db2.gz MCPANVOHDOGXDM-NSHDSACASA-N 1 2 354.357 2.002 20 30 FEEDLO C[C@H]1C[N@@H+](CCNC(=O)Nc2cc(C#N)ccc2OC(F)F)CCO1 ZINC000930180156 683689421 /nfs/dbraw/zinc/68/94/21/683689421.db2.gz MCPANVOHDOGXDM-NSHDSACASA-N 1 2 354.357 2.002 20 30 FEEDLO Cc1nsc(N2CC[NH+](CCOC3CCSCC3)CC2)c1C#N ZINC000930517960 683746127 /nfs/dbraw/zinc/74/61/27/683746127.db2.gz UAGGUADMDUPMPO-UHFFFAOYSA-N 1 2 352.529 2.357 20 30 FEEDLO C[C@@H]1C(=O)N[C@@H](C)[C@H](C)[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000930835369 683790941 /nfs/dbraw/zinc/79/09/41/683790941.db2.gz PUNTUTWLLADNDP-SDDRHHMPSA-N 1 2 360.483 2.034 20 30 FEEDLO C[C@@H]1C(=O)N[C@@H](C)[C@H](C)[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000930835369 683790943 /nfs/dbraw/zinc/79/09/43/683790943.db2.gz PUNTUTWLLADNDP-SDDRHHMPSA-N 1 2 360.483 2.034 20 30 FEEDLO C#CCC[NH+]1CCN(C(=O)c2nc(C(C)C)ncc2Br)CC1 ZINC000931345088 684265381 /nfs/dbraw/zinc/26/53/81/684265381.db2.gz ZULUINRXWBITQF-UHFFFAOYSA-N 1 2 365.275 2.144 20 30 FEEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2c[nH]c(=NC(=O)OC(C)(C)C)s2)C1 ZINC000923598823 684311919 /nfs/dbraw/zinc/31/19/19/684311919.db2.gz XRGFNINNCRSURW-LBPRGKRZSA-N 1 2 364.471 2.318 20 30 FEEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2c[nH]c(=NC(=O)OC(C)(C)C)s2)C1 ZINC000923598823 684311922 /nfs/dbraw/zinc/31/19/22/684311922.db2.gz XRGFNINNCRSURW-LBPRGKRZSA-N 1 2 364.471 2.318 20 30 FEEDLO C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000868968037 684565027 /nfs/dbraw/zinc/56/50/27/684565027.db2.gz ZUUUQFRPIYJTDH-HZMBPMFUSA-N 1 2 352.316 2.403 20 30 FEEDLO C=CC[C@@H](C(=O)OC)[N@@H+]1CCCN(Cc2csc([C@@H](C)OC)n2)CC1 ZINC000878178213 686535429 /nfs/dbraw/zinc/53/54/29/686535429.db2.gz KNZIQEWNWRTSOK-ZBFHGGJFSA-N 1 2 367.515 2.476 20 30 FEEDLO C=CC[C@@H](C(=O)OC)[N@H+]1CCCN(Cc2csc([C@@H](C)OC)n2)CC1 ZINC000878178213 686535431 /nfs/dbraw/zinc/53/54/31/686535431.db2.gz KNZIQEWNWRTSOK-ZBFHGGJFSA-N 1 2 367.515 2.476 20 30 FEEDLO CC(C)(C)S(=O)(=O)CCC[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000878640143 686625911 /nfs/dbraw/zinc/62/59/11/686625911.db2.gz ACCRQIQZAMUZAB-HNNXBMFYSA-N 1 2 351.472 2.010 20 30 FEEDLO CC(C)(C)S(=O)(=O)CCC[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000878640143 686625915 /nfs/dbraw/zinc/62/59/15/686625915.db2.gz ACCRQIQZAMUZAB-HNNXBMFYSA-N 1 2 351.472 2.010 20 30 FEEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC([C@H](F)C(N)=O)CC1 ZINC000879044275 686724021 /nfs/dbraw/zinc/72/40/21/686724021.db2.gz LBRATEGNOKGXLE-BMIGLBTASA-N 1 2 366.824 2.074 20 30 FEEDLO CN(C[C@@H](O)C[N@H+](C)Cc1ccc(F)cc1C#N)C(=O)OC(C)(C)C ZINC000879084217 686735074 /nfs/dbraw/zinc/73/50/74/686735074.db2.gz PVDSHAAEXFRXAR-INIZCTEOSA-N 1 2 351.422 2.357 20 30 FEEDLO CN(C[C@@H](O)C[N@@H+](C)Cc1ccc(F)cc1C#N)C(=O)OC(C)(C)C ZINC000879084217 686735076 /nfs/dbraw/zinc/73/50/76/686735076.db2.gz PVDSHAAEXFRXAR-INIZCTEOSA-N 1 2 351.422 2.357 20 30 FEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1ccc(N(C)C)cc1C(F)(F)F ZINC000884194361 687814171 /nfs/dbraw/zinc/81/41/71/687814171.db2.gz HPNFHPLDDVUTIU-LBPRGKRZSA-N 1 2 359.348 2.157 20 30 FEEDLO Cc1ccccc1[C@@H](CO)[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000886433734 688256280 /nfs/dbraw/zinc/25/62/80/688256280.db2.gz SLOWOXMGPHFNGW-LJQANCHMSA-N 1 2 358.463 2.306 20 30 FEEDLO Cc1ccccc1[C@@H](CO)[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000886433734 688256284 /nfs/dbraw/zinc/25/62/84/688256284.db2.gz SLOWOXMGPHFNGW-LJQANCHMSA-N 1 2 358.463 2.306 20 30 FEEDLO C=CCC1(O)CC[NH+](CC(=O)Nc2ccnn2Cc2cccs2)CC1 ZINC000886759356 688303116 /nfs/dbraw/zinc/30/31/16/688303116.db2.gz CYFMLVJKAKPBKM-UHFFFAOYSA-N 1 2 360.483 2.334 20 30 FEEDLO C#CC[C@@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)C(=O)OC ZINC000894988476 689635531 /nfs/dbraw/zinc/63/55/31/689635531.db2.gz ZJXDFEMGTDFXKR-WTXIUTQJSA-N 1 2 350.459 2.319 20 30 FEEDLO C=CCN1CCN(C[N@H+]2CC[C@H](c3nccc(C(F)(F)F)n3)C2)C1=O ZINC000902617569 690787149 /nfs/dbraw/zinc/78/71/49/690787149.db2.gz AASSVACSGLZSNI-LBPRGKRZSA-N 1 2 355.364 2.166 20 30 FEEDLO C=CCN1CCN(C[N@@H+]2CC[C@H](c3nccc(C(F)(F)F)n3)C2)C1=O ZINC000902617569 690787154 /nfs/dbraw/zinc/78/71/54/690787154.db2.gz AASSVACSGLZSNI-LBPRGKRZSA-N 1 2 355.364 2.166 20 30 FEEDLO N#Cc1ccccc1N1CCN(c2nc(NCCO)c3ccccc3[nH+]2)CC1 ZINC000522275778 539555071 /nfs/dbraw/zinc/55/50/71/539555071.db2.gz VNQUHBNBMGOTGJ-UHFFFAOYSA-N 1 2 374.448 2.232 20 30 FEEDLO COc1ccc([C@H](C/N=C/c2ccc(O)c(O)c2O)[NH+]2CCOCC2)cc1 ZINC000022728687 539697669 /nfs/dbraw/zinc/69/76/69/539697669.db2.gz DAYNDADZIDSGFD-RHLNUJDMSA-N 1 2 372.421 2.304 20 30 FEEDLO C[C@@H]1C[C@@H](C)CN(C(=O)CN2CC[NH+](Cc3cccc(C#N)c3)CC2)C1 ZINC000023257488 539710627 /nfs/dbraw/zinc/71/06/27/539710627.db2.gz LCZDWUVIOGTDHN-QZTJIDSGSA-N 1 2 354.498 2.180 20 30 FEEDLO C[C@@H]1C[C@@H](C)CN(C(=O)C[NH+]2CCN(Cc3cccc(C#N)c3)CC2)C1 ZINC000023257488 539710630 /nfs/dbraw/zinc/71/06/30/539710630.db2.gz LCZDWUVIOGTDHN-QZTJIDSGSA-N 1 2 354.498 2.180 20 30 FEEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)Cc1ccc(Br)s1 ZINC000024598241 539735781 /nfs/dbraw/zinc/73/57/81/539735781.db2.gz GCGYVOSZFPXWNB-VIFPVBQESA-N 1 2 360.277 2.343 20 30 FEEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(Br)s1 ZINC000024598241 539735784 /nfs/dbraw/zinc/73/57/84/539735784.db2.gz GCGYVOSZFPXWNB-VIFPVBQESA-N 1 2 360.277 2.343 20 30 FEEDLO N#Cc1ccnc(N2CC[NH+](CC(=O)N3CCC[C@H]4CCCC[C@@H]43)CC2)c1 ZINC000025940810 539772956 /nfs/dbraw/zinc/77/29/56/539772956.db2.gz XURCMBVBDGISKP-MOPGFXCFSA-N 1 2 367.497 2.256 20 30 FEEDLO COC(=O)c1ccc2c(c1)nc(C[N@H+](C)Cc1cccc(C#N)c1)[nH]c2=O ZINC000026325108 539783175 /nfs/dbraw/zinc/78/31/75/539783175.db2.gz GCPNMFKWZLUTRZ-UHFFFAOYSA-N 1 2 362.389 2.213 20 30 FEEDLO COC(=O)c1ccc2c(c1)nc(C[N@@H+](C)Cc1cccc(C#N)c1)[nH]c2=O ZINC000026325108 539783177 /nfs/dbraw/zinc/78/31/77/539783177.db2.gz GCPNMFKWZLUTRZ-UHFFFAOYSA-N 1 2 362.389 2.213 20 30 FEEDLO C[C@H](C(=O)N(C)CCC#N)[NH+]1CCN(Cc2ccc(Cl)s2)CC1 ZINC000052660178 540480290 /nfs/dbraw/zinc/48/02/90/540480290.db2.gz KOHAVDWGHWGYTE-CYBMUJFWSA-N 1 2 354.907 2.280 20 30 FEEDLO C=CCNC(=O)CN1CC[NH+](Cc2cccc(OCC(F)(F)F)c2)CC1 ZINC000056267851 540714973 /nfs/dbraw/zinc/71/49/73/540714973.db2.gz GDOLFCWSOURJTH-UHFFFAOYSA-N 1 2 371.403 2.048 20 30 FEEDLO N#Cc1c(F)cccc1N1CCN(C(=O)NCCCCn2cc[nH+]c2)CC1 ZINC000057374306 540792106 /nfs/dbraw/zinc/79/21/06/540792106.db2.gz TUSNVOXKYBKFLG-UHFFFAOYSA-N 1 2 370.432 2.206 20 30 FEEDLO N#Cc1ccc(N2CC[NH+](Cc3cc(F)cc4c3OCOC4)CC2)nc1 ZINC000060481145 541113966 /nfs/dbraw/zinc/11/39/66/541113966.db2.gz GKRVPRPDIPPEDP-UHFFFAOYSA-N 1 2 354.385 2.281 20 30 FEEDLO Cc1csc(N2CC[NH+]([C@@H](C)C(=O)NC3(C#N)CCCCC3)CC2)n1 ZINC000061159615 541126987 /nfs/dbraw/zinc/12/69/87/541126987.db2.gz UIXNEBAVUDZEGB-HNNXBMFYSA-N 1 2 361.515 2.305 20 30 FEEDLO C=C(C)C[N@@H+](CC)CC(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000066560086 541335272 /nfs/dbraw/zinc/33/52/72/541335272.db2.gz LSECNENHULCDFM-HNNXBMFYSA-N 1 2 370.540 2.162 20 30 FEEDLO C=C(C)C[N@H+](CC)CC(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000066560086 541335275 /nfs/dbraw/zinc/33/52/75/541335275.db2.gz LSECNENHULCDFM-HNNXBMFYSA-N 1 2 370.540 2.162 20 30 FEEDLO C[C@@H]1CCC[C@H](NC(=O)CN2CC[NH+](Cc3cccc(C#N)c3)CC2)C1 ZINC000066566739 541337560 /nfs/dbraw/zinc/33/75/60/541337560.db2.gz ZGMVHLSQHDJVEH-XLIONFOSSA-N 1 2 354.498 2.371 20 30 FEEDLO C=CC[N@@H+](CC(=O)N(CC)[C@H]1CCS(=O)(=O)C1)CC1CCCCC1 ZINC000069859775 541719311 /nfs/dbraw/zinc/71/93/11/541719311.db2.gz DLHMWHDKHTWXPR-KRWDZBQOSA-N 1 2 356.532 2.090 20 30 FEEDLO C=CC[N@H+](CC(=O)N(CC)[C@H]1CCS(=O)(=O)C1)CC1CCCCC1 ZINC000069859775 541719315 /nfs/dbraw/zinc/71/93/15/541719315.db2.gz DLHMWHDKHTWXPR-KRWDZBQOSA-N 1 2 356.532 2.090 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1ccccc1Br ZINC000071797688 541772250 /nfs/dbraw/zinc/77/22/50/541772250.db2.gz MSJGLWWZAJGJIO-UHFFFAOYSA-N 1 2 366.259 2.137 20 30 FEEDLO N#Cc1cccnc1N1CC[NH+](CC(=O)N2CCC[C@@H]3CCCC[C@@H]32)CC1 ZINC000073108567 541919716 /nfs/dbraw/zinc/91/97/16/541919716.db2.gz XOLFMKHRJZYWST-HKUYNNGSSA-N 1 2 367.497 2.256 20 30 FEEDLO C[C@H](CC(=O)N(CCC#N)CC[NH+]1CCOCC1)Cc1cccc(F)c1 ZINC000073210764 541930053 /nfs/dbraw/zinc/93/00/53/541930053.db2.gz WEVOOJNRNXUNIE-KRWDZBQOSA-N 1 2 361.461 2.469 20 30 FEEDLO CCC(=O)N[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2SCC#N)C1 ZINC000109802595 206063003 /nfs/dbraw/zinc/06/30/03/206063003.db2.gz UGPASLTZXAGTNT-CQSZACIVSA-N 1 2 360.483 2.231 20 30 FEEDLO CCC(=O)N[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2SCC#N)C1 ZINC000109802595 206063005 /nfs/dbraw/zinc/06/30/05/206063005.db2.gz UGPASLTZXAGTNT-CQSZACIVSA-N 1 2 360.483 2.231 20 30 FEEDLO N#Cc1cccc(CS(=O)(=O)N2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000073803008 542002172 /nfs/dbraw/zinc/00/21/72/542002172.db2.gz ZQHVTKCAMGGREC-UHFFFAOYSA-N 1 2 369.490 2.248 20 30 FEEDLO Cc1oc(NC(=O)C[N@H+](C)C[C@@H](O)COCc2ccccc2)c(C#N)c1C ZINC000074289486 542063784 /nfs/dbraw/zinc/06/37/84/542063784.db2.gz SZTRAFHKMDUIEW-QGZVFWFLSA-N 1 2 371.437 2.216 20 30 FEEDLO Cc1oc(NC(=O)C[N@@H+](C)C[C@@H](O)COCc2ccccc2)c(C#N)c1C ZINC000074289486 542063787 /nfs/dbraw/zinc/06/37/87/542063787.db2.gz SZTRAFHKMDUIEW-QGZVFWFLSA-N 1 2 371.437 2.216 20 30 FEEDLO C=CCN1C(=O)c2ccc(C(=O)N3CCC[C@H](c4[nH]cc[nH+]4)C3)cc2C1=O ZINC000075554510 542187156 /nfs/dbraw/zinc/18/71/56/542187156.db2.gz RGWJHWHYGWLJNC-AWEZNQCLSA-N 1 2 364.405 2.212 20 30 FEEDLO C=CCc1ccccc1OC[C@@H](O)C[NH+]1CCN(C(=O)C(C)(C)C)CC1 ZINC000075673114 542197052 /nfs/dbraw/zinc/19/70/52/542197052.db2.gz YNLGIJQIFDQZDD-SFHVURJKSA-N 1 2 360.498 2.345 20 30 FEEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000076201956 542243136 /nfs/dbraw/zinc/24/31/36/542243136.db2.gz CTFOIGWYOPALGN-HNNXBMFYSA-N 1 2 369.421 2.181 20 30 FEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCCN(Cc2ccc(F)cc2)CC1 ZINC000076842728 542325954 /nfs/dbraw/zinc/32/59/54/542325954.db2.gz SKCIZVXTUJYODG-QGZVFWFLSA-N 1 2 360.477 2.342 20 30 FEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCCN(Cc2ccc(F)cc2)CC1 ZINC000076842728 542325958 /nfs/dbraw/zinc/32/59/58/542325958.db2.gz SKCIZVXTUJYODG-QGZVFWFLSA-N 1 2 360.477 2.342 20 30 FEEDLO CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(F)c(C#N)c2)c[nH+]1 ZINC000077538699 542394571 /nfs/dbraw/zinc/39/45/71/542394571.db2.gz NPDDWIFSAMKKNT-UHFFFAOYSA-N 1 2 369.400 2.193 20 30 FEEDLO CC1(C)C[NH+]=C(N2CCN(C(=O)Cc3ccc(OCC#N)cc3)CC2)S1 ZINC000085264027 542724338 /nfs/dbraw/zinc/72/43/38/542724338.db2.gz GAANYWNQMMWKGC-UHFFFAOYSA-N 1 2 372.494 2.157 20 30 FEEDLO CCOc1ccccc1N1CC[NH+](CC(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000078797778 132192145 /nfs/dbraw/zinc/19/21/45/132192145.db2.gz XPBGLFUAOOHETR-FQEVSTJZSA-N 1 2 358.486 2.262 20 30 FEEDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)Cc2cccc(OCC#N)c2)CC1 ZINC000089828388 542771794 /nfs/dbraw/zinc/77/17/94/542771794.db2.gz WQDVIHDXJIFXIS-KRWDZBQOSA-N 1 2 364.449 2.432 20 30 FEEDLO N#CCCN(C(=O)CN1CC[NH+](Cc2cccnc2)CC1)c1ccccc1 ZINC000091077073 542793619 /nfs/dbraw/zinc/79/36/19/542793619.db2.gz QLXGKIUPLKDODD-UHFFFAOYSA-N 1 2 363.465 2.146 20 30 FEEDLO N#Cc1ccc(OC2CCC(NC(=O)CCCn3cc[nH+]c3)CC2)nc1 ZINC000092045844 542841545 /nfs/dbraw/zinc/84/15/45/542841545.db2.gz FDUHDGXTVHGJEF-UHFFFAOYSA-N 1 2 353.426 2.436 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1ccc2ccccc2c1O ZINC000094074154 542950221 /nfs/dbraw/zinc/95/02/21/542950221.db2.gz JBDHBIAGZJAJNO-UHFFFAOYSA-N 1 2 353.422 2.233 20 30 FEEDLO C=CCNC(=O)C[NH+]1CCN(Cc2cc(F)ccc2Br)CC1 ZINC000104663995 543136686 /nfs/dbraw/zinc/13/66/86/543136686.db2.gz HVEIVFULWUNXHT-UHFFFAOYSA-N 1 2 370.266 2.008 20 30 FEEDLO CNC(=O)[C@H]1CCCC[N@@H+]1CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000104950924 543152390 /nfs/dbraw/zinc/15/23/90/543152390.db2.gz NWTNOURKSUZMBN-GOSISDBHSA-N 1 2 356.470 2.151 20 30 FEEDLO CNC(=O)[C@H]1CCCC[N@H+]1CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000104950924 543152393 /nfs/dbraw/zinc/15/23/93/543152393.db2.gz NWTNOURKSUZMBN-GOSISDBHSA-N 1 2 356.470 2.151 20 30 FEEDLO CNC(=O)[C@@H]1CCCC[N@@H+]1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000104950504 543151963 /nfs/dbraw/zinc/15/19/63/543151963.db2.gz NLFNHNLOSPWMSV-INIZCTEOSA-N 1 2 362.861 2.187 20 30 FEEDLO CNC(=O)[C@@H]1CCCC[N@H+]1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000104950504 543151967 /nfs/dbraw/zinc/15/19/67/543151967.db2.gz NLFNHNLOSPWMSV-INIZCTEOSA-N 1 2 362.861 2.187 20 30 FEEDLO COc1ccc([C@H](NC(=O)N2CCC(C#N)CC2)c2[nH+]ccn2C)cc1 ZINC000105097143 543158474 /nfs/dbraw/zinc/15/84/74/543158474.db2.gz OLCNZFILLKZELQ-KRWDZBQOSA-N 1 2 353.426 2.463 20 30 FEEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000106868964 543251377 /nfs/dbraw/zinc/25/13/77/543251377.db2.gz IFFKYZRRNRTAFW-CJNGLKHVSA-N 1 2 358.442 2.484 20 30 FEEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000106868964 543251378 /nfs/dbraw/zinc/25/13/78/543251378.db2.gz IFFKYZRRNRTAFW-CJNGLKHVSA-N 1 2 358.442 2.484 20 30 FEEDLO N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CC[NH+](CCO)CC2)cc1 ZINC000106929296 543256761 /nfs/dbraw/zinc/25/67/61/543256761.db2.gz JQGOCWMNOITTRR-UHFFFAOYSA-N 1 2 369.396 2.240 20 30 FEEDLO CNC(=O)C1CC[NH+](CC(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1 ZINC000108357503 543287829 /nfs/dbraw/zinc/28/78/29/543287829.db2.gz BDPDUHAVFKSJAO-AWEZNQCLSA-N 1 2 374.510 2.477 20 30 FEEDLO N#Cc1cnc2ccccc2c1N1CC[NH+](CC(=O)NCC2CCC2)CC1 ZINC000108857872 543305738 /nfs/dbraw/zinc/30/57/38/543305738.db2.gz PYBNREXVVXMGCS-UHFFFAOYSA-N 1 2 363.465 2.145 20 30 FEEDLO CC[C@H](C)[N@H+](CC(=O)NCC#N)CC(=O)Nc1ccccc1C(F)(F)F ZINC000108917176 543308379 /nfs/dbraw/zinc/30/83/79/543308379.db2.gz SVBTVHVHJAOFJL-LBPRGKRZSA-N 1 2 370.375 2.384 20 30 FEEDLO CC[C@H](C)[N@@H+](CC(=O)NCC#N)CC(=O)Nc1ccccc1C(F)(F)F ZINC000108917176 543308382 /nfs/dbraw/zinc/30/83/82/543308382.db2.gz SVBTVHVHJAOFJL-LBPRGKRZSA-N 1 2 370.375 2.384 20 30 FEEDLO Cc1noc(C)c1C[NH+]1CCN(C(=O)Cc2ccc(OCC#N)cc2)CC1 ZINC000110631175 543363293 /nfs/dbraw/zinc/36/32/93/543363293.db2.gz SAWCTZXINLLJJT-UHFFFAOYSA-N 1 2 368.437 2.081 20 30 FEEDLO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCC[C@H]1C(=O)Nc1nccs1 ZINC000114194598 543507605 /nfs/dbraw/zinc/50/76/05/543507605.db2.gz GMOLFUNBOXFVFV-HNNXBMFYSA-N 1 2 369.450 2.446 20 30 FEEDLO N#Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@H]1C(=O)Nc1nccs1 ZINC000114194598 543507606 /nfs/dbraw/zinc/50/76/06/543507606.db2.gz GMOLFUNBOXFVFV-HNNXBMFYSA-N 1 2 369.450 2.446 20 30 FEEDLO C[C@@H]([NH2+][C@@H](C)c1nnnn1-c1ccccc1)C(=O)Nc1cccc(C#N)c1 ZINC000115604956 543578279 /nfs/dbraw/zinc/57/82/79/543578279.db2.gz JOXJFPSBPAWPRH-UONOGXRCSA-N 1 2 361.409 2.212 20 30 FEEDLO C=CCNC(=O)c1cccc(S(=O)(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)c1 ZINC000121422880 543694198 /nfs/dbraw/zinc/69/41/98/543694198.db2.gz HTPQKRTTZDORGM-MRXNPFEDSA-N 1 2 374.466 2.241 20 30 FEEDLO CN(Cc1[nH+]ccn1C)C(=O)C(=O)Nc1ccccc1SCCC#N ZINC000119669697 543670873 /nfs/dbraw/zinc/67/08/73/543670873.db2.gz MRXDRFZUILGQJE-UHFFFAOYSA-N 1 2 357.439 2.023 20 30 FEEDLO CS(=O)(=O)CCc1ccc(NCc2c[nH+]c3ccc(C#N)cn23)cc1 ZINC000122540170 543708949 /nfs/dbraw/zinc/70/89/49/543708949.db2.gz OTNHHWYPGFTGJN-UHFFFAOYSA-N 1 2 354.435 2.405 20 30 FEEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CCSC[C@H]2CC(=O)OC)c1C ZINC000123314561 543754733 /nfs/dbraw/zinc/75/47/33/543754733.db2.gz PAORILCTQKLFRO-OAHLLOKOSA-N 1 2 350.484 2.454 20 30 FEEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CCSC[C@H]2CC(=O)OC)c1C ZINC000123314561 543754736 /nfs/dbraw/zinc/75/47/36/543754736.db2.gz PAORILCTQKLFRO-OAHLLOKOSA-N 1 2 350.484 2.454 20 30 FEEDLO C=CCN(CC=C)C(=O)C[NH+]1CCN(c2ncnc3ccsc32)CC1 ZINC000124431943 543820882 /nfs/dbraw/zinc/82/08/82/543820882.db2.gz YXZDVYBNHRRULB-UHFFFAOYSA-N 1 2 357.483 2.014 20 30 FEEDLO N#Cc1ccc(OCC[N@H+]2CCN(Cc3cccc(F)c3)C(=O)C2)cc1 ZINC000125802787 543902538 /nfs/dbraw/zinc/90/25/38/543902538.db2.gz HFDNXSVZSKHBCQ-UHFFFAOYSA-N 1 2 353.397 2.421 20 30 FEEDLO N#Cc1ccc(OCC[N@@H+]2CCN(Cc3cccc(F)c3)C(=O)C2)cc1 ZINC000125802787 543902540 /nfs/dbraw/zinc/90/25/40/543902540.db2.gz HFDNXSVZSKHBCQ-UHFFFAOYSA-N 1 2 353.397 2.421 20 30 FEEDLO N#Cc1cccc(OCC[N@H+]2CCN(Cc3cccc(F)c3)C(=O)C2)c1 ZINC000125872601 543906390 /nfs/dbraw/zinc/90/63/90/543906390.db2.gz UCWCGONZGONBPD-UHFFFAOYSA-N 1 2 353.397 2.421 20 30 FEEDLO N#Cc1cccc(OCC[N@@H+]2CCN(Cc3cccc(F)c3)C(=O)C2)c1 ZINC000125872601 543906394 /nfs/dbraw/zinc/90/63/94/543906394.db2.gz UCWCGONZGONBPD-UHFFFAOYSA-N 1 2 353.397 2.421 20 30 FEEDLO C=C(C)CNC(=O)C(=O)Nc1cccc(C[N@H+](C)Cc2cscn2)c1 ZINC000126691522 543951047 /nfs/dbraw/zinc/95/10/47/543951047.db2.gz AYFCPSDZSZJVMS-UHFFFAOYSA-N 1 2 358.467 2.406 20 30 FEEDLO C=C(C)CNC(=O)C(=O)Nc1cccc(C[N@@H+](C)Cc2cscn2)c1 ZINC000126691522 543951049 /nfs/dbraw/zinc/95/10/49/543951049.db2.gz AYFCPSDZSZJVMS-UHFFFAOYSA-N 1 2 358.467 2.406 20 30 FEEDLO O=S(=O)([C@@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C1)N1CCCC1 ZINC000135164400 544336812 /nfs/dbraw/zinc/33/68/12/544336812.db2.gz UAGMLTQGXFWGAV-MRXNPFEDSA-N 1 2 352.887 2.191 20 30 FEEDLO O=S(=O)([C@@H]1CC[N@H+](CC#Cc2ccccc2Cl)C1)N1CCCC1 ZINC000135164400 544336813 /nfs/dbraw/zinc/33/68/13/544336813.db2.gz UAGMLTQGXFWGAV-MRXNPFEDSA-N 1 2 352.887 2.191 20 30 FEEDLO CC(C)OC(=O)c1ccc(CN(CCC#N)CC[NH+]2CCOCC2)cc1 ZINC000135119270 544334719 /nfs/dbraw/zinc/33/47/19/544334719.db2.gz SICPPODYMZGKDT-UHFFFAOYSA-N 1 2 359.470 2.300 20 30 FEEDLO C=CCNc1ncc(C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)s1 ZINC000136310972 544370850 /nfs/dbraw/zinc/37/08/50/544370850.db2.gz KQJWENGGCYGYTN-CQSZACIVSA-N 1 2 350.488 2.068 20 30 FEEDLO C[C@H]1OCC[N@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)[C@H]1C ZINC000139371604 544401982 /nfs/dbraw/zinc/40/19/82/544401982.db2.gz GPOIZODTFDNBBE-UONOGXRCSA-N 1 2 354.372 2.282 20 30 FEEDLO C[C@H]1OCC[N@@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)[C@H]1C ZINC000139371604 544401984 /nfs/dbraw/zinc/40/19/84/544401984.db2.gz GPOIZODTFDNBBE-UONOGXRCSA-N 1 2 354.372 2.282 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C)Cc1cc(Br)cn1C ZINC000151524001 544552685 /nfs/dbraw/zinc/55/26/85/544552685.db2.gz BVYGCVCZKLHJMA-OAHLLOKOSA-N 1 2 355.280 2.274 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)Cc1cc(Br)cn1C ZINC000151524001 544552688 /nfs/dbraw/zinc/55/26/88/544552688.db2.gz BVYGCVCZKLHJMA-OAHLLOKOSA-N 1 2 355.280 2.274 20 30 FEEDLO N#Cc1ccc(NC(=O)CC[N@H+]2CCOC[C@@H]2C[C@@H](O)c2ccco2)cc1 ZINC000151728001 544573884 /nfs/dbraw/zinc/57/38/84/544573884.db2.gz NRBKEWLZQOKOKX-ZWKOTPCHSA-N 1 2 369.421 2.304 20 30 FEEDLO N#Cc1ccc(NC(=O)CC[N@@H+]2CCOC[C@@H]2C[C@@H](O)c2ccco2)cc1 ZINC000151728001 544573887 /nfs/dbraw/zinc/57/38/87/544573887.db2.gz NRBKEWLZQOKOKX-ZWKOTPCHSA-N 1 2 369.421 2.304 20 30 FEEDLO CCOC(=O)c1sc([C@@H](C)[NH2+][C@H](C)C(=O)N(C)CCC#N)nc1C ZINC000151741046 544574287 /nfs/dbraw/zinc/57/42/87/544574287.db2.gz MWMRGEPRZAPRRM-VXGBXAGGSA-N 1 2 352.460 2.039 20 30 FEEDLO N#Cc1cccc(OC2CCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)CC2)c1 ZINC000152221084 544626824 /nfs/dbraw/zinc/62/68/24/544626824.db2.gz QTRNRDJNAAPDSN-INIZCTEOSA-N 1 2 350.422 2.387 20 30 FEEDLO COc1ccc(-c2n[nH]cc2CN(CCC#N)CC[NH+]2CCOCC2)cc1 ZINC000154750862 544944674 /nfs/dbraw/zinc/94/46/74/544944674.db2.gz UTMPKOUQCGYSPP-UHFFFAOYSA-N 1 2 369.469 2.133 20 30 FEEDLO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)c1ccc(C#N)c(O)c1 ZINC000188521747 328092483 /nfs/dbraw/zinc/09/24/83/328092483.db2.gz ZJFATMVXLJCEPT-MRXNPFEDSA-N 1 2 364.449 2.204 20 30 FEEDLO N#Cc1nc(-c2ccco2)oc1N1CC[NH+](CCOCC(F)F)CC1 ZINC000189593065 328157077 /nfs/dbraw/zinc/15/70/77/328157077.db2.gz KUZBZSPYEYFQTQ-UHFFFAOYSA-N 1 2 352.341 2.210 20 30 FEEDLO CCc1ccccc1NC(=O)CN1CC[NH+](Cc2cc(C#N)n(C)c2)CC1 ZINC000191185348 328253045 /nfs/dbraw/zinc/25/30/45/328253045.db2.gz GCWPNQJZPMLTBJ-UHFFFAOYSA-N 1 2 365.481 2.215 20 30 FEEDLO CCS(=O)(=O)C1CC[NH+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000193255530 328365451 /nfs/dbraw/zinc/36/54/51/328365451.db2.gz CBNCTSHWKVJPBY-UHFFFAOYSA-N 1 2 372.494 2.358 20 30 FEEDLO N#Cc1cccc(S(=O)(=O)NCCc2[nH+]ccn2Cc2ccccc2)c1 ZINC000030005021 324454475 /nfs/dbraw/zinc/45/44/75/324454475.db2.gz SEUHLJOIPGNSKZ-UHFFFAOYSA-N 1 2 366.446 2.324 20 30 FEEDLO CCOc1ccc(C[NH+]2CCN(C(=O)c3cc(C#N)cn3C)CC2)cc1 ZINC000081588883 325186733 /nfs/dbraw/zinc/18/67/33/325186733.db2.gz OPZVACCLHPIZNE-UHFFFAOYSA-N 1 2 352.438 2.253 20 30 FEEDLO N#Cc1cccc(OCc2cccc(C(=O)NCC[NH+]3CCOCC3)c2)c1 ZINC000115315820 325950383 /nfs/dbraw/zinc/95/03/83/325950383.db2.gz QYEIZKCEGLJHNV-UHFFFAOYSA-N 1 2 365.433 2.199 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(CC(=O)N3CCc4ccccc43)CC2)s1 ZINC000119050365 326122051 /nfs/dbraw/zinc/12/20/51/326122051.db2.gz GFQQULQOJAIQCT-UHFFFAOYSA-N 1 2 366.490 2.327 20 30 FEEDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)NCCOc2ccc(C#N)cc2)C1 ZINC000119318011 326149091 /nfs/dbraw/zinc/14/90/91/326149091.db2.gz NZXFOCJLMUKIEC-KRWDZBQOSA-N 1 2 367.453 2.335 20 30 FEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000119932286 326213628 /nfs/dbraw/zinc/21/36/28/326213628.db2.gz LXXGMNDSGURKJB-POAQFYNOSA-N 1 2 367.449 2.248 20 30 FEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000119932286 326213629 /nfs/dbraw/zinc/21/36/29/326213629.db2.gz LXXGMNDSGURKJB-POAQFYNOSA-N 1 2 367.449 2.248 20 30 FEEDLO COc1cc(C#N)ccc1CN1CC[NH+](CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000120480855 326262454 /nfs/dbraw/zinc/26/24/54/326262454.db2.gz SYBYIWOJFGRRQP-KRWDZBQOSA-N 1 2 370.497 2.085 20 30 FEEDLO COCCOc1cc(C)ccc1C[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000125292195 326468903 /nfs/dbraw/zinc/46/89/03/326468903.db2.gz GLPDGMQWQBRADB-LJQANCHMSA-N 1 2 353.422 2.208 20 30 FEEDLO COCCN(c1cc[nH+]cc1)S(=O)(=O)c1cccc(Cl)c1C#N ZINC000126622754 326492252 /nfs/dbraw/zinc/49/22/52/326492252.db2.gz NZHKEPGUUUAYIG-UHFFFAOYSA-N 1 2 351.815 2.448 20 30 FEEDLO Cc1cccc(S(=O)(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1C#N ZINC000151302794 326679077 /nfs/dbraw/zinc/67/90/77/326679077.db2.gz YJDOSEKDKZZFAA-HNNXBMFYSA-N 1 2 358.467 2.244 20 30 FEEDLO COCCN(c1cc[nH+]cc1)S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000152006461 326696664 /nfs/dbraw/zinc/69/66/64/326696664.db2.gz FSMRAOLDENJRKO-UHFFFAOYSA-N 1 2 353.350 2.073 20 30 FEEDLO N#Cc1cccc(CS(=O)(=O)N[C@@H]2CCCN(c3cccc[nH+]3)C2)c1 ZINC000166141979 327080533 /nfs/dbraw/zinc/08/05/33/327080533.db2.gz GMYYQMNKRGDSFN-QGZVFWFLSA-N 1 2 356.451 2.042 20 30 FEEDLO C[C@@H](c1nc(-c2cccnc2)no1)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000171990932 327174834 /nfs/dbraw/zinc/17/48/34/327174834.db2.gz AKXJVRKMWHUREX-AWEZNQCLSA-N 1 2 361.409 2.281 20 30 FEEDLO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000171994906 327175210 /nfs/dbraw/zinc/17/52/10/327175210.db2.gz VLSKRCXGLLKCGX-INIZCTEOSA-N 1 2 362.861 2.483 20 30 FEEDLO CCN(CC)C(=O)[C@@H]1CCC[N@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000171994906 327175211 /nfs/dbraw/zinc/17/52/11/327175211.db2.gz VLSKRCXGLLKCGX-INIZCTEOSA-N 1 2 362.861 2.483 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)N2C[C@@H](n3cc[nH+]c3)Cc3ccccc32)cn1 ZINC000173690421 327277362 /nfs/dbraw/zinc/27/73/62/327277362.db2.gz FLKXZOZVUMOYGN-INIZCTEOSA-N 1 2 365.418 2.142 20 30 FEEDLO Cn1cc[nH+]c1-c1cccc(NC(=O)C(=O)NCc2cccc(C#N)c2)c1 ZINC000176942584 327486187 /nfs/dbraw/zinc/48/61/87/327486187.db2.gz PHFSHCUQLVXSHI-UHFFFAOYSA-N 1 2 359.389 2.214 20 30 FEEDLO CN(C)c1ccc(CNC(=O)N2CCN(c3ccccc3C#N)CC2)c[nH+]1 ZINC000263659710 328949887 /nfs/dbraw/zinc/94/98/87/328949887.db2.gz FZDRMQQHPJIWBB-UHFFFAOYSA-N 1 2 364.453 2.051 20 30 FEEDLO COC(=O)[C@@H]1CC12CC[NH+]([C@H](C)C(=O)Nc1oc(C)c(C)c1C#N)CC2 ZINC000264979875 329080469 /nfs/dbraw/zinc/08/04/69/329080469.db2.gz AERNEFPVJUDNLB-DOMZBBRYSA-N 1 2 359.426 2.370 20 30 FEEDLO COC(=O)[C@H](c1ccccc1)[N@H+](C)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000265488164 329132143 /nfs/dbraw/zinc/13/21/43/329132143.db2.gz JPFFHBGOMOXECW-MJGOQNOKSA-N 1 2 354.406 2.144 20 30 FEEDLO COC(=O)[C@H](c1ccccc1)[N@@H+](C)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000265488164 329132144 /nfs/dbraw/zinc/13/21/44/329132144.db2.gz JPFFHBGOMOXECW-MJGOQNOKSA-N 1 2 354.406 2.144 20 30 FEEDLO COc1cc(C[N@H+](C)CCS(=O)(=O)c2ccc(C#N)cc2)cc(OC)c1 ZINC000267115283 329293511 /nfs/dbraw/zinc/29/35/11/329293511.db2.gz YVKCWVJJKKPONI-UHFFFAOYSA-N 1 2 374.462 2.481 20 30 FEEDLO COc1cc(C[N@@H+](C)CCS(=O)(=O)c2ccc(C#N)cc2)cc(OC)c1 ZINC000267115283 329293512 /nfs/dbraw/zinc/29/35/12/329293512.db2.gz YVKCWVJJKKPONI-UHFFFAOYSA-N 1 2 374.462 2.481 20 30 FEEDLO Cc1c(Cl)cnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)c1C#N ZINC000273324585 329855724 /nfs/dbraw/zinc/85/57/24/329855724.db2.gz KYIVWSCXCACEKC-CQSZACIVSA-N 1 2 361.877 2.048 20 30 FEEDLO C=C[C@H](CC(=O)N1CC[C@@H]([N@H+](C)Cc2nccc(N)n2)C1)c1ccccc1 ZINC000276647966 519299950 /nfs/dbraw/zinc/29/99/50/519299950.db2.gz YANBNHMVBNKZOK-SJLPKXTDSA-N 1 2 365.481 2.451 20 30 FEEDLO C=C[C@H](CC(=O)N1CC[C@@H]([N@@H+](C)Cc2nccc(N)n2)C1)c1ccccc1 ZINC000276647966 519299956 /nfs/dbraw/zinc/29/99/56/519299956.db2.gz YANBNHMVBNKZOK-SJLPKXTDSA-N 1 2 365.481 2.451 20 30 FEEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]1C ZINC000805788779 674354359 /nfs/dbraw/zinc/35/43/59/674354359.db2.gz TZAYVTGKNGTFNY-YDHLFZDLSA-N 1 2 363.424 2.188 20 30 FEEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]1C ZINC000805788779 674354357 /nfs/dbraw/zinc/35/43/57/674354357.db2.gz TZAYVTGKNGTFNY-YDHLFZDLSA-N 1 2 363.424 2.188 20 30 FEEDLO N#Cc1ccc(N2CC[C@@H]([N@@H+]3CCCN(CC(F)(F)F)CC3)C2=O)cc1 ZINC000155898519 545581783 /nfs/dbraw/zinc/58/17/83/545581783.db2.gz JKVWRSZHNBVBHZ-MRXNPFEDSA-N 1 2 366.387 2.234 20 30 FEEDLO N#Cc1ccc(N2CC[C@@H]([N@H+]3CCCN(CC(F)(F)F)CC3)C2=O)cc1 ZINC000155898519 545581785 /nfs/dbraw/zinc/58/17/85/545581785.db2.gz JKVWRSZHNBVBHZ-MRXNPFEDSA-N 1 2 366.387 2.234 20 30 FEEDLO Cc1cccc(S(=O)(=O)NCC[N@@H+]2CCc3ccccc3C2)c1C#N ZINC000156368165 545622284 /nfs/dbraw/zinc/62/22/84/545622284.db2.gz QJXDNTZDZQOTEI-UHFFFAOYSA-N 1 2 355.463 2.203 20 30 FEEDLO Cc1cccc(S(=O)(=O)NCC[N@H+]2CCc3ccccc3C2)c1C#N ZINC000156368165 545622286 /nfs/dbraw/zinc/62/22/86/545622286.db2.gz QJXDNTZDZQOTEI-UHFFFAOYSA-N 1 2 355.463 2.203 20 30 FEEDLO CCO[C@H]1C[C@H]([N@H+](C)CCS(=O)(=O)c2cccc(C#N)c2)C1(C)C ZINC000156782422 545658024 /nfs/dbraw/zinc/65/80/24/545658024.db2.gz MTFFVOWEXGSHHZ-IRXDYDNUSA-N 1 2 350.484 2.467 20 30 FEEDLO CCO[C@H]1C[C@H]([N@@H+](C)CCS(=O)(=O)c2cccc(C#N)c2)C1(C)C ZINC000156782422 545658030 /nfs/dbraw/zinc/65/80/30/545658030.db2.gz MTFFVOWEXGSHHZ-IRXDYDNUSA-N 1 2 350.484 2.467 20 30 FEEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+](CCO)Cc1cccnc1 ZINC000157043879 545692977 /nfs/dbraw/zinc/69/29/77/545692977.db2.gz LFVSEGPLBQWGOK-ZDUSSCGKSA-N 1 2 358.829 2.428 20 30 FEEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+](CCO)Cc1cccnc1 ZINC000157043879 545692984 /nfs/dbraw/zinc/69/29/84/545692984.db2.gz LFVSEGPLBQWGOK-ZDUSSCGKSA-N 1 2 358.829 2.428 20 30 FEEDLO COc1cc(C#N)ccc1OCC[NH+]1CCN(C(=O)c2cccs2)CC1 ZINC000157339013 545729747 /nfs/dbraw/zinc/72/97/47/545729747.db2.gz WYQJXDONNMGWHB-UHFFFAOYSA-N 1 2 371.462 2.465 20 30 FEEDLO COc1ccccc1C[NH+]1CCN(C(=O)CNc2cccc(C#N)c2)CC1 ZINC000157985840 545808453 /nfs/dbraw/zinc/80/84/53/545808453.db2.gz QWRYPZZCFFJHTD-UHFFFAOYSA-N 1 2 364.449 2.323 20 30 FEEDLO N#Cc1ccc(N2C(=O)C[C@@H]([NH+]3CCN(c4cccs4)CC3)C2=O)cc1 ZINC000158229063 545837500 /nfs/dbraw/zinc/83/75/00/545837500.db2.gz APTIYEFIMFHTHL-MRXNPFEDSA-N 1 2 366.446 2.074 20 30 FEEDLO Cc1nc(C[N@@H+](C)[C@H]2CCCN(C(=O)Cc3ccc(C#N)cc3)CC2)no1 ZINC000478378506 561165492 /nfs/dbraw/zinc/16/54/92/561165492.db2.gz NIBVIFUPSWWLOF-SFHVURJKSA-N 1 2 367.453 2.305 20 30 FEEDLO Cc1nc(C[N@H+](C)[C@H]2CCCN(C(=O)Cc3ccc(C#N)cc3)CC2)no1 ZINC000478378506 561165493 /nfs/dbraw/zinc/16/54/93/561165493.db2.gz NIBVIFUPSWWLOF-SFHVURJKSA-N 1 2 367.453 2.305 20 30 FEEDLO C=CCN(CCOC)C(=O)N[C@H](C[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000478432959 561166684 /nfs/dbraw/zinc/16/66/84/561166684.db2.gz IKXOTOOHDBQJLW-LJQANCHMSA-N 1 2 361.486 2.212 20 30 FEEDLO CS(=O)(=O)CCCC[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000162021050 546136414 /nfs/dbraw/zinc/13/64/14/546136414.db2.gz BYYPGRDASHTXKO-UHFFFAOYSA-N 1 2 372.494 2.053 20 30 FEEDLO C[N@@H+]1CC[C@@H](NS(=O)(=O)CC2(C#N)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000166201421 546156332 /nfs/dbraw/zinc/15/63/32/546156332.db2.gz WVJDNWVXMRLPOY-CABCVRRESA-N 1 2 353.875 2.308 20 30 FEEDLO C[N@H+]1CC[C@@H](NS(=O)(=O)CC2(C#N)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000166201421 546156338 /nfs/dbraw/zinc/15/63/38/546156338.db2.gz WVJDNWVXMRLPOY-CABCVRRESA-N 1 2 353.875 2.308 20 30 FEEDLO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)c2cccc(CC#N)c2)CC1 ZINC000172224515 546242179 /nfs/dbraw/zinc/24/21/79/546242179.db2.gz ZKTLOQMTZCILOA-UHFFFAOYSA-N 1 2 351.454 2.061 20 30 FEEDLO COC(=O)[C@H]1CCCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000177624279 546655784 /nfs/dbraw/zinc/65/57/84/546655784.db2.gz OQXVWRFKZJKPFK-CQSZACIVSA-N 1 2 361.467 2.465 20 30 FEEDLO COC(=O)[C@H]1CCCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000177624279 546655788 /nfs/dbraw/zinc/65/57/88/546655788.db2.gz OQXVWRFKZJKPFK-CQSZACIVSA-N 1 2 361.467 2.465 20 30 FEEDLO Cn1cc(C[NH+]2CCN(Cc3ccc(C#N)cc3Br)CC2)cn1 ZINC000481104319 561225278 /nfs/dbraw/zinc/22/52/78/561225278.db2.gz IXKVWAGZNIRFMU-UHFFFAOYSA-N 1 2 374.286 2.372 20 30 FEEDLO N#CCN1CC[NH+](Cc2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC000179357674 546939226 /nfs/dbraw/zinc/93/92/26/546939226.db2.gz DRWSFJQHFCYMRG-UHFFFAOYSA-N 1 2 360.259 2.276 20 30 FEEDLO C=CCCC[C@H](C)NC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000179799079 547014412 /nfs/dbraw/zinc/01/44/12/547014412.db2.gz JWKHVPIXSCAITM-KRWDZBQOSA-N 1 2 358.486 2.371 20 30 FEEDLO Cn1cc(C[N@@H+]2Cc3ccccc3C[C@@H]2C(N)=O)c(-c2ccc(C#N)cc2)n1 ZINC000179888344 547024395 /nfs/dbraw/zinc/02/43/95/547024395.db2.gz YGKNLSIMNFYDLL-HXUWFJFHSA-N 1 2 371.444 2.371 20 30 FEEDLO Cn1cc(C[N@H+]2Cc3ccccc3C[C@@H]2C(N)=O)c(-c2ccc(C#N)cc2)n1 ZINC000179888344 547024399 /nfs/dbraw/zinc/02/43/99/547024399.db2.gz YGKNLSIMNFYDLL-HXUWFJFHSA-N 1 2 371.444 2.371 20 30 FEEDLO CC(C)[C@H](C#N)N1CCN(C(=O)CSc2[nH+]cc3ccccn32)CC1 ZINC000180494373 547119496 /nfs/dbraw/zinc/11/94/96/547119496.db2.gz ZPIGITFWNFDCMT-INIZCTEOSA-N 1 2 357.483 2.119 20 30 FEEDLO N#CCCN(CCC#N)C(=O)C[NH2+][C@@H](CO)c1c(Cl)cccc1Cl ZINC000483226349 561271201 /nfs/dbraw/zinc/27/12/01/561271201.db2.gz AJVMDPMWQXTKMW-AWEZNQCLSA-N 1 2 369.252 2.272 20 30 FEEDLO N#C[C@@H](c1ccc(Br)cc1)N1CC[NH+](CC2OCCO2)CC1 ZINC000181438677 547315883 /nfs/dbraw/zinc/31/58/83/547315883.db2.gz OCSDEPMYRUABMI-HNNXBMFYSA-N 1 2 366.259 2.004 20 30 FEEDLO C=CC[C@H](CO)NC(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000183408036 547652946 /nfs/dbraw/zinc/65/29/46/547652946.db2.gz DTIDEGDRRKOXHN-ZIAGYGMSSA-N 1 2 353.413 2.165 20 30 FEEDLO C=CC[C@H](CO)NC(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000183408036 547652949 /nfs/dbraw/zinc/65/29/49/547652949.db2.gz DTIDEGDRRKOXHN-ZIAGYGMSSA-N 1 2 353.413 2.165 20 30 FEEDLO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCO[C@H](COc3ccccc3)C2)cc1 ZINC000484541923 561299572 /nfs/dbraw/zinc/29/95/72/561299572.db2.gz GNYYQXGBNLJEDT-RXVVDRJESA-N 1 2 368.433 2.078 20 30 FEEDLO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCO[C@H](COc3ccccc3)C2)cc1 ZINC000484541923 561299573 /nfs/dbraw/zinc/29/95/73/561299573.db2.gz GNYYQXGBNLJEDT-RXVVDRJESA-N 1 2 368.433 2.078 20 30 FEEDLO C[C@H](C#N)Oc1ccccc1NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000184345116 547811277 /nfs/dbraw/zinc/81/12/77/547811277.db2.gz LKFBNXNCJZUSAJ-HZPDHXFCSA-N 1 2 358.442 2.306 20 30 FEEDLO N#CCSc1cccc(C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)c1 ZINC000485174618 561314265 /nfs/dbraw/zinc/31/42/65/561314265.db2.gz VEXIGRBZBDZTMF-UHFFFAOYSA-N 1 2 368.462 2.464 20 30 FEEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CCSC3(CCOCC3)C2)C1=O ZINC000186852841 548206928 /nfs/dbraw/zinc/20/69/28/548206928.db2.gz ASDUUKRFEKNFKL-AWEZNQCLSA-N 1 2 363.508 2.323 20 30 FEEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CCSC3(CCOCC3)C2)C1=O ZINC000186852841 548206932 /nfs/dbraw/zinc/20/69/32/548206932.db2.gz ASDUUKRFEKNFKL-AWEZNQCLSA-N 1 2 363.508 2.323 20 30 FEEDLO C[C@@H](CC#N)NC(=O)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000190101290 548317918 /nfs/dbraw/zinc/31/79/18/548317918.db2.gz HOKRDTGHUFHDHT-ZDUSSCGKSA-N 1 2 351.410 2.243 20 30 FEEDLO CCO[C@@H](C)c1noc(CN2CC[NH+](CC#Cc3ccccc3)CC2)n1 ZINC000192044627 548357443 /nfs/dbraw/zinc/35/74/43/548357443.db2.gz SMAYWRGEZOBWTM-KRWDZBQOSA-N 1 2 354.454 2.336 20 30 FEEDLO C[C@@H]1CCC[C@H](NC(=O)C[NH+]2CCN(CC#Cc3ccccc3)CC2)C1 ZINC000192103076 548358725 /nfs/dbraw/zinc/35/87/25/548358725.db2.gz IJDGRYUSPJZRSI-CTNGQTDRSA-N 1 2 353.510 2.351 20 30 FEEDLO C[C@@H]1CCC[C@H](NC(=O)CN2CC[NH+](CC#Cc3ccccc3)CC2)C1 ZINC000192103076 548358730 /nfs/dbraw/zinc/35/87/30/548358730.db2.gz IJDGRYUSPJZRSI-CTNGQTDRSA-N 1 2 353.510 2.351 20 30 FEEDLO C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(O)(c2ccccc2Cl)CC1 ZINC000193132586 548380569 /nfs/dbraw/zinc/38/05/69/548380569.db2.gz BQHUBDCGQVNKEJ-ZDUSSCGKSA-N 1 2 365.861 2.024 20 30 FEEDLO C=C[C@H]1CCCCN1c1nc(NCCOC)[nH+]c(N2CCCC[C@@H]2C=C)n1 ZINC000486484294 561348667 /nfs/dbraw/zinc/34/86/67/561348667.db2.gz FDCHBOKAUYYHBR-IRXDYDNUSA-N 1 2 372.517 2.442 20 30 FEEDLO C=C[C@H]1CCCCN1c1nc(NCCOC)nc(N2CCCC[C@@H]2C=C)[nH+]1 ZINC000486484294 561348669 /nfs/dbraw/zinc/34/86/69/561348669.db2.gz FDCHBOKAUYYHBR-IRXDYDNUSA-N 1 2 372.517 2.442 20 30 FEEDLO COc1cc(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)ccc1Cl ZINC000194412415 548477945 /nfs/dbraw/zinc/47/79/45/548477945.db2.gz YXJPDQHPCVJZDT-UHFFFAOYSA-N 1 2 366.849 2.428 20 30 FEEDLO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H]2c2nncn2C)c(OC)c1 ZINC000245563730 548948242 /nfs/dbraw/zinc/94/82/42/548948242.db2.gz CZWZGUCALZYPSS-SJORKVTESA-N 1 2 372.469 2.129 20 30 FEEDLO C=CCc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H]2c2nncn2C)c(OC)c1 ZINC000245563730 548948247 /nfs/dbraw/zinc/94/82/47/548948247.db2.gz CZWZGUCALZYPSS-SJORKVTESA-N 1 2 372.469 2.129 20 30 FEEDLO CCCN(CCC)S(=O)(=O)N1CC[NH+](Cc2cc(C#N)cs2)CC1 ZINC000488513471 561391100 /nfs/dbraw/zinc/39/11/00/561391100.db2.gz KRSMBKKWKCYPCE-UHFFFAOYSA-N 1 2 370.544 2.104 20 30 FEEDLO N#Cc1cc(S(=O)(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)ccc1F ZINC000488889029 561398930 /nfs/dbraw/zinc/39/89/30/561398930.db2.gz WYDAZHGSQMBYMK-MRXNPFEDSA-N 1 2 363.414 2.406 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C)[C@H]1CCCN(c2ccccc2)C1=O ZINC000247117123 549286459 /nfs/dbraw/zinc/28/64/59/549286459.db2.gz GEHZQAYSLPVXNJ-FXAWDEMLSA-N 1 2 356.470 2.168 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)[C@H]1CCCN(c2ccccc2)C1=O ZINC000247117123 549286464 /nfs/dbraw/zinc/28/64/64/549286464.db2.gz GEHZQAYSLPVXNJ-FXAWDEMLSA-N 1 2 356.470 2.168 20 30 FEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 ZINC000248778391 549500109 /nfs/dbraw/zinc/50/01/09/549500109.db2.gz UOMBGIOFSUMAFO-ZBFHGGJFSA-N 1 2 360.454 2.142 20 30 FEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 ZINC000248778391 549500113 /nfs/dbraw/zinc/50/01/13/549500113.db2.gz UOMBGIOFSUMAFO-ZBFHGGJFSA-N 1 2 360.454 2.142 20 30 FEEDLO COCCO[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000249322648 549581555 /nfs/dbraw/zinc/58/15/55/549581555.db2.gz GJQXSNRMHYPUDC-CHWSQXEVSA-N 1 2 363.483 2.173 20 30 FEEDLO COCCO[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000249322648 549581561 /nfs/dbraw/zinc/58/15/61/549581561.db2.gz GJQXSNRMHYPUDC-CHWSQXEVSA-N 1 2 363.483 2.173 20 30 FEEDLO Cc1cc(C)n(Cc2cccc(C(N)=[NH+]OCC(=O)NC3CCCC3)c2)n1 ZINC000263737139 549928937 /nfs/dbraw/zinc/92/89/37/549928937.db2.gz QTGXVUDWKVNSRJ-UHFFFAOYSA-N 1 2 369.469 2.244 20 30 FEEDLO CCN(CCC#N)C(=O)C[N@H+](CCC(=O)OC)Cc1ccc(F)c(F)c1 ZINC000264758176 550000746 /nfs/dbraw/zinc/00/07/46/550000746.db2.gz XBAABWJZHGBJOM-UHFFFAOYSA-N 1 2 367.396 2.092 20 30 FEEDLO CCN(CCC#N)C(=O)C[N@@H+](CCC(=O)OC)Cc1ccc(F)c(F)c1 ZINC000264758176 550000748 /nfs/dbraw/zinc/00/07/48/550000748.db2.gz XBAABWJZHGBJOM-UHFFFAOYSA-N 1 2 367.396 2.092 20 30 FEEDLO CC(C)CO[C@@H](C)C(N)=[NH+]OCCCOc1ccc(S(C)(=O)=O)cc1 ZINC000266175323 550018030 /nfs/dbraw/zinc/01/80/30/550018030.db2.gz DKUAEAOBFFMKOL-AWEZNQCLSA-N 1 2 372.487 2.209 20 30 FEEDLO COc1ccc(NC(=O)[C@H](C)O[NH+]=C(N)[C@H](C)OCC(C)C)c(OC)c1 ZINC000266198719 550018306 /nfs/dbraw/zinc/01/83/06/550018306.db2.gz KLTVAIZRKCPULJ-STQMWFEESA-N 1 2 367.446 2.381 20 30 FEEDLO Cn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1CC(=O)N(CCC#N)CCC#N ZINC000267606243 550033761 /nfs/dbraw/zinc/03/37/61/550033761.db2.gz WEPSOYKWADZWNQ-SFHVURJKSA-N 1 2 364.453 2.366 20 30 FEEDLO Cn1c2ccccc2nc1[C@@H]1CCC[N@H+]1CC(=O)N(CCC#N)CCC#N ZINC000267606243 550033763 /nfs/dbraw/zinc/03/37/63/550033763.db2.gz WEPSOYKWADZWNQ-SFHVURJKSA-N 1 2 364.453 2.366 20 30 FEEDLO Nc1nsc(N2CC[NH+](CC#Cc3ccc(C(F)(F)F)cc3)CC2)n1 ZINC000268309788 550047475 /nfs/dbraw/zinc/04/74/75/550047475.db2.gz PRBIGRIYOWZJOO-UHFFFAOYSA-N 1 2 367.400 2.313 20 30 FEEDLO C=CCN1C(=O)N[C@@H](c2ccc(N3CCCC3)[nH+]c2)C(C(=O)N(C)C)=C1C ZINC000268343286 550051848 /nfs/dbraw/zinc/05/18/48/550051848.db2.gz YTMQVCVDOPVIID-SFHVURJKSA-N 1 2 369.469 2.296 20 30 FEEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1CCS[C@H]2COCC[C@H]21 ZINC000268964457 550137760 /nfs/dbraw/zinc/13/77/60/550137760.db2.gz KLFCKPIKFMFEPR-ZBFHGGJFSA-N 1 2 363.508 2.447 20 30 FEEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1CCS[C@H]2COCC[C@H]21 ZINC000268964457 550137763 /nfs/dbraw/zinc/13/77/63/550137763.db2.gz KLFCKPIKFMFEPR-ZBFHGGJFSA-N 1 2 363.508 2.447 20 30 FEEDLO N#CCOc1cccc(CC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000270427682 550271695 /nfs/dbraw/zinc/27/16/95/550271695.db2.gz FJPUNWHADWASKG-UHFFFAOYSA-N 1 2 374.444 2.348 20 30 FEEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCN(c2cncc(F)c2)CC1 ZINC000270839112 550312798 /nfs/dbraw/zinc/31/27/98/550312798.db2.gz DVGDFDKMVJNVFQ-CQSZACIVSA-N 1 2 353.401 2.242 20 30 FEEDLO CC(C)(C)OC(=O)Nc1cccc(CO[NH+]=C(N)CN2CCOCC2)c1 ZINC000271728794 550398066 /nfs/dbraw/zinc/39/80/66/550398066.db2.gz MMVXWUWMXDGRRH-UHFFFAOYSA-N 1 2 364.446 2.155 20 30 FEEDLO Cc1ccc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(O)c1O ZINC000272662272 550463874 /nfs/dbraw/zinc/46/38/74/550463874.db2.gz NEXFYNKVHZVWMY-UHFFFAOYSA-N 1 2 351.406 2.236 20 30 FEEDLO COc1ccccc1S(=O)(=O)CCCO[NH+]=C(N)[C@@H](C)OCC(C)C ZINC000274296390 550531670 /nfs/dbraw/zinc/53/16/70/550531670.db2.gz MJNSSMJLQYTOEB-CQSZACIVSA-N 1 2 372.487 2.209 20 30 FEEDLO C=CCN(C(=O)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1)C1CC1 ZINC000276106431 550576815 /nfs/dbraw/zinc/57/68/15/550576815.db2.gz OAIBUGVDTGNXAX-HNNXBMFYSA-N 1 2 357.454 2.195 20 30 FEEDLO C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](c2[nH]cc[nH+]2)C(C)C)cc1 ZINC000276554530 550578986 /nfs/dbraw/zinc/57/89/86/550578986.db2.gz GQYLMODNQFGONR-OAHLLOKOSA-N 1 2 362.455 2.001 20 30 FEEDLO CC1(C)COCC[N@@H+]1CCNC(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000279294882 550874773 /nfs/dbraw/zinc/87/47/73/550874773.db2.gz UVZIGXFCQBHSBJ-UHFFFAOYSA-N 1 2 354.410 2.054 20 30 FEEDLO CC1(C)COCC[N@H+]1CCNC(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000279294882 550874775 /nfs/dbraw/zinc/87/47/75/550874775.db2.gz UVZIGXFCQBHSBJ-UHFFFAOYSA-N 1 2 354.410 2.054 20 30 FEEDLO C#CCn1ccc(CN(CC)C(=O)NCc2ccc(N3CCCC3)[nH+]c2)n1 ZINC000279319700 550877180 /nfs/dbraw/zinc/87/71/80/550877180.db2.gz YCKMBRLBAQIBKF-UHFFFAOYSA-N 1 2 366.469 2.243 20 30 FEEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCO[C@@]3(CCO[C@@H]3C)C2)c1C ZINC000280212171 550971872 /nfs/dbraw/zinc/97/18/72/550971872.db2.gz AEFKREUWYBXKHR-NQIIRXRSSA-N 1 2 371.481 2.430 20 30 FEEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCO[C@@]3(CCO[C@@H]3C)C2)c1C ZINC000280212171 550971873 /nfs/dbraw/zinc/97/18/73/550971873.db2.gz AEFKREUWYBXKHR-NQIIRXRSSA-N 1 2 371.481 2.430 20 30 FEEDLO CC1(C)C[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C[C@@]2(CCOC2)O1 ZINC000280584403 551010194 /nfs/dbraw/zinc/01/01/94/551010194.db2.gz TVCCQYFDZXIQOO-LJQANCHMSA-N 1 2 354.410 2.378 20 30 FEEDLO CC1(C)C[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C[C@@]2(CCOC2)O1 ZINC000280584403 551010195 /nfs/dbraw/zinc/01/01/95/551010195.db2.gz TVCCQYFDZXIQOO-LJQANCHMSA-N 1 2 354.410 2.378 20 30 FEEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2csc3cc(C)ccc23)CC1 ZINC000280737177 551026655 /nfs/dbraw/zinc/02/66/55/551026655.db2.gz NZINDDUDQQMXMJ-UHFFFAOYSA-N 1 2 369.490 2.107 20 30 FEEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2csc3cc(C)ccc23)CC1 ZINC000280737177 551026656 /nfs/dbraw/zinc/02/66/56/551026656.db2.gz NZINDDUDQQMXMJ-UHFFFAOYSA-N 1 2 369.490 2.107 20 30 FEEDLO CCOC(=O)[C@]1(COC)CCC[N@@H+]([C@H](C(=O)OC)c2cccc(C#N)c2)C1 ZINC000281282573 551081062 /nfs/dbraw/zinc/08/10/62/551081062.db2.gz GKJXXAMWNGNFPX-FXAWDEMLSA-N 1 2 374.437 2.064 20 30 FEEDLO CCOC(=O)[C@]1(COC)CCC[N@H+]([C@H](C(=O)OC)c2cccc(C#N)c2)C1 ZINC000281282573 551081064 /nfs/dbraw/zinc/08/10/64/551081064.db2.gz GKJXXAMWNGNFPX-FXAWDEMLSA-N 1 2 374.437 2.064 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000281621637 551121693 /nfs/dbraw/zinc/12/16/93/551121693.db2.gz XALVTIJDONKLRA-AABGKKOBSA-N 1 2 373.497 2.340 20 30 FEEDLO Cn1cc[nH+]c1-c1cccc(NC(=O)C(=O)NCC2CCC(C#N)CC2)c1 ZINC000281845880 551147565 /nfs/dbraw/zinc/14/75/65/551147565.db2.gz FXZWOCHIAXQNQB-UHFFFAOYSA-N 1 2 365.437 2.472 20 30 FEEDLO Cn1c2c([nH+]c1[C@@H]1CCCN1S(=O)(=O)c1ccc(C#N)nc1)CCCC2 ZINC000282482275 551235005 /nfs/dbraw/zinc/23/50/05/551235005.db2.gz XQWCVRPCPOUQMF-KRWDZBQOSA-N 1 2 371.466 2.091 20 30 FEEDLO C=C[C@H](CC(=O)N1CCC(c2nnc3n2CC[NH2+]C3)CC1)c1ccccc1 ZINC000283015080 551297901 /nfs/dbraw/zinc/29/79/01/551297901.db2.gz OFZSONFCDKVRDP-MRXNPFEDSA-N 1 2 365.481 2.447 20 30 FEEDLO C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)c1cc(C#N)ccn1 ZINC000283026033 551299764 /nfs/dbraw/zinc/29/97/64/551299764.db2.gz KEPFRGVMNUQCSH-QGZVFWFLSA-N 1 2 364.449 2.316 20 30 FEEDLO CCOc1cc(CN(CCC#N)CC[NH+]2CCOCC2)cc(Cl)c1O ZINC000284330353 551525311 /nfs/dbraw/zinc/52/53/11/551525311.db2.gz XBSXANYOXXYAMW-UHFFFAOYSA-N 1 2 367.877 2.492 20 30 FEEDLO C=CCC[C@H](NC(=O)C(=O)NCC(C)(C)[NH+]1CCOCC1)c1ccccc1 ZINC000284630688 551594317 /nfs/dbraw/zinc/59/43/17/551594317.db2.gz YYOKWBBKBGHTLP-SFHVURJKSA-N 1 2 373.497 2.037 20 30 FEEDLO C=CCN(CCc1ccccc1)C(=O)C(=O)NCCCNc1cccc[nH+]1 ZINC000285277725 551730867 /nfs/dbraw/zinc/73/08/67/551730867.db2.gz RCUZMAAEOKNBRT-UHFFFAOYSA-N 1 2 366.465 2.257 20 30 FEEDLO C[C@](C#N)(NC(=O)C[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1)C1CC1 ZINC000285453747 551759207 /nfs/dbraw/zinc/75/92/07/551759207.db2.gz JHLNKXWCXYAJCJ-HXUWFJFHSA-N 1 2 370.428 2.349 20 30 FEEDLO CN(C)c1ccc(CNC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)c[nH+]1 ZINC000286043852 551842248 /nfs/dbraw/zinc/84/22/48/551842248.db2.gz OGDDHMJLPDIODL-MRXNPFEDSA-N 1 2 367.428 2.301 20 30 FEEDLO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(C#N)o1)c1ccccc1Cl ZINC000286450020 551886688 /nfs/dbraw/zinc/88/66/88/551886688.db2.gz ILFHSAGQRWWWPD-AWEZNQCLSA-N 1 2 353.831 2.386 20 30 FEEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCC[C@](F)(CO)C1 ZINC000286737334 551920520 /nfs/dbraw/zinc/92/05/20/551920520.db2.gz DIQSEFMIQHKGQG-RDTXWAMCSA-N 1 2 351.397 2.257 20 30 FEEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCC[C@](F)(CO)C1 ZINC000286737334 551920522 /nfs/dbraw/zinc/92/05/22/551920522.db2.gz DIQSEFMIQHKGQG-RDTXWAMCSA-N 1 2 351.397 2.257 20 30 FEEDLO C=CCOc1ccc(CNC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)cc1 ZINC000286954096 551944429 /nfs/dbraw/zinc/94/44/29/551944429.db2.gz OOBVWGIVGDGODH-SJLPKXTDSA-N 1 2 359.470 2.256 20 30 FEEDLO CCOc1ccc(C[NH+]2CCN(C(=O)c3cc(C#N)ccn3)CC2)cc1 ZINC000286957298 551944677 /nfs/dbraw/zinc/94/46/77/551944677.db2.gz DHHWNSHJVDQCRH-UHFFFAOYSA-N 1 2 350.422 2.310 20 30 FEEDLO C[C@H](c1nccs1)[NH+]1CCN(c2cc(N)c([N+](=O)[O-])c(C#N)c2)CC1 ZINC000286990037 551948864 /nfs/dbraw/zinc/94/88/64/551948864.db2.gz UCYBFFBKODNLPW-LLVKDONJSA-N 1 2 358.427 2.388 20 30 FEEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)Nc1ccc(C#N)c(Br)c1 ZINC000287091031 551962177 /nfs/dbraw/zinc/96/21/77/551962177.db2.gz CYLBYOPBNVBVJT-NSHDSACASA-N 1 2 367.247 2.163 20 30 FEEDLO N#Cc1ccc(N2CC[C@H](C(=O)NCc3ccn4cc[nH+]c4c3)C2)c(F)c1 ZINC000287336291 551991232 /nfs/dbraw/zinc/99/12/32/551991232.db2.gz MUOYWWRFZFFDDE-INIZCTEOSA-N 1 2 363.396 2.488 20 30 FEEDLO C#CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000288126533 552096063 /nfs/dbraw/zinc/09/60/63/552096063.db2.gz KJLPSYXFENHNMD-UXHICEINSA-N 1 2 355.482 2.127 20 30 FEEDLO C=CCN1CC[C@H]([N@H+](CCO)Cc2ccc(Br)s2)C1=O ZINC000499717951 561556757 /nfs/dbraw/zinc/55/67/57/561556757.db2.gz IVTNCXRUZBYVAZ-LBPRGKRZSA-N 1 2 359.289 2.092 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+](CCO)Cc2ccc(Br)s2)C1=O ZINC000499717951 561556758 /nfs/dbraw/zinc/55/67/58/561556758.db2.gz IVTNCXRUZBYVAZ-LBPRGKRZSA-N 1 2 359.289 2.092 20 30 FEEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)C(=O)Nc2ccccc2OC(F)F)C1=O ZINC000499935725 561562219 /nfs/dbraw/zinc/56/22/19/561562219.db2.gz MPVRLQCEGMHDSX-TZMCWYRMSA-N 1 2 367.396 2.334 20 30 FEEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](C)C(=O)Nc2ccccc2OC(F)F)C1=O ZINC000499935725 561562220 /nfs/dbraw/zinc/56/22/20/561562220.db2.gz MPVRLQCEGMHDSX-TZMCWYRMSA-N 1 2 367.396 2.334 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N(C)Cc2ccc(Cl)s2)C1=O ZINC000499939475 561562451 /nfs/dbraw/zinc/56/24/51/561562451.db2.gz PKNDHNYNVNVQDJ-ZDUSSCGKSA-N 1 2 355.891 2.079 20 30 FEEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N(C)Cc2ccc(Cl)s2)C1=O ZINC000499939475 561562452 /nfs/dbraw/zinc/56/24/52/561562452.db2.gz PKNDHNYNVNVQDJ-ZDUSSCGKSA-N 1 2 355.891 2.079 20 30 FEEDLO C[C@]12CC[N@H+](CCS(=O)(=O)c3ccc(C#N)cn3)C[C@H]1C2(Cl)Cl ZINC000289435409 552321342 /nfs/dbraw/zinc/32/13/42/552321342.db2.gz OAAZHTWNFANYNE-OCCSQVGLSA-N 1 2 374.293 2.243 20 30 FEEDLO C[C@]12CC[N@@H+](CCS(=O)(=O)c3ccc(C#N)cn3)C[C@H]1C2(Cl)Cl ZINC000289435409 552321344 /nfs/dbraw/zinc/32/13/44/552321344.db2.gz OAAZHTWNFANYNE-OCCSQVGLSA-N 1 2 374.293 2.243 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)cc1 ZINC000289622885 552351523 /nfs/dbraw/zinc/35/15/23/552351523.db2.gz RNNPIZSZAWTTMC-MSOLQXFVSA-N 1 2 360.479 2.365 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)cc1 ZINC000289622885 552351524 /nfs/dbraw/zinc/35/15/24/552351524.db2.gz RNNPIZSZAWTTMC-MSOLQXFVSA-N 1 2 360.479 2.365 20 30 FEEDLO C=CCN(CC=C)C(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000289764395 552375069 /nfs/dbraw/zinc/37/50/69/552375069.db2.gz VSPJSFMERKWWRF-IRXDYDNUSA-N 1 2 363.408 2.027 20 30 FEEDLO C=CCN(CC=C)C(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000289764395 552375072 /nfs/dbraw/zinc/37/50/72/552375072.db2.gz VSPJSFMERKWWRF-IRXDYDNUSA-N 1 2 363.408 2.027 20 30 FEEDLO Cc1csc(C(C)(C)[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)n1 ZINC000290058878 552421142 /nfs/dbraw/zinc/42/11/42/552421142.db2.gz VMBUURFOOJSXLQ-UHFFFAOYSA-N 1 2 350.469 2.017 20 30 FEEDLO Cn1cccc1[C@@H]1CCCC[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000290244585 552447624 /nfs/dbraw/zinc/44/76/24/552447624.db2.gz JLQYJYUZCAPDDF-KRWDZBQOSA-N 1 2 358.467 2.293 20 30 FEEDLO Cn1cccc1[C@@H]1CCCC[N@H+]1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000290244585 552447628 /nfs/dbraw/zinc/44/76/28/552447628.db2.gz JLQYJYUZCAPDDF-KRWDZBQOSA-N 1 2 358.467 2.293 20 30 FEEDLO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nc(C)c(C#N)cc2Cl)CC1 ZINC000290964346 552569620 /nfs/dbraw/zinc/56/96/20/552569620.db2.gz NVKOILZRQAMWAN-UHFFFAOYSA-N 1 2 363.893 2.296 20 30 FEEDLO CCN(CC)C(=O)C[N@H+]1CCCN(c2nc(C)c(C#N)cc2Cl)CC1 ZINC000290964346 552569621 /nfs/dbraw/zinc/56/96/21/552569621.db2.gz NVKOILZRQAMWAN-UHFFFAOYSA-N 1 2 363.893 2.296 20 30 FEEDLO C=CC[N@@H+](C[C@@H](O)c1ccc(C(F)(F)F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000291178962 552596688 /nfs/dbraw/zinc/59/66/88/552596688.db2.gz NZWLDMPZBADBDJ-LSDHHAIUSA-N 1 2 363.401 2.414 20 30 FEEDLO C=CC[N@H+](C[C@@H](O)c1ccc(C(F)(F)F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000291178962 552596691 /nfs/dbraw/zinc/59/66/91/552596691.db2.gz NZWLDMPZBADBDJ-LSDHHAIUSA-N 1 2 363.401 2.414 20 30 FEEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@](CO)(c2ccccc2)C1 ZINC000291378708 552620461 /nfs/dbraw/zinc/62/04/61/552620461.db2.gz ARLIGXBKXCBSLX-TZIWHRDSSA-N 1 2 350.418 2.408 20 30 FEEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@@](CO)(c2ccccc2)C1 ZINC000291378708 552620463 /nfs/dbraw/zinc/62/04/63/552620463.db2.gz ARLIGXBKXCBSLX-TZIWHRDSSA-N 1 2 350.418 2.408 20 30 FEEDLO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CC[C@@](CO)(c3ccccc3)C2)C1=O ZINC000291604990 552642563 /nfs/dbraw/zinc/64/25/63/552642563.db2.gz CAUJXZSXRQRZPM-YLJYHZDGSA-N 1 2 367.474 2.361 20 30 FEEDLO N#Cc1ccsc1N1CC[C@@H]([N@H+]2CC[C@@](CO)(c3ccccc3)C2)C1=O ZINC000291604990 552642564 /nfs/dbraw/zinc/64/25/64/552642564.db2.gz CAUJXZSXRQRZPM-YLJYHZDGSA-N 1 2 367.474 2.361 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCC(F)(F)[C@H](CO)C2)c1 ZINC000292003218 552683321 /nfs/dbraw/zinc/68/33/21/552683321.db2.gz XMGNTJALTMPCKB-INIZCTEOSA-N 1 2 365.424 2.500 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCC(F)(F)[C@H](CO)C2)c1 ZINC000292003218 552683323 /nfs/dbraw/zinc/68/33/23/552683323.db2.gz XMGNTJALTMPCKB-INIZCTEOSA-N 1 2 365.424 2.500 20 30 FEEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000502619271 561622281 /nfs/dbraw/zinc/62/22/81/561622281.db2.gz CSWODKGJTGURIU-UHFFFAOYSA-N 1 2 368.441 2.418 20 30 FEEDLO Cc1oc(NC(=O)C[N@H+](Cc2cccc(C(N)=O)c2)C2CC2)c(C#N)c1C ZINC000296891991 553226198 /nfs/dbraw/zinc/22/61/98/553226198.db2.gz VLAFMVULVCVTHW-UHFFFAOYSA-N 1 2 366.421 2.470 20 30 FEEDLO Cc1oc(NC(=O)C[N@@H+](Cc2cccc(C(N)=O)c2)C2CC2)c(C#N)c1C ZINC000296891991 553226199 /nfs/dbraw/zinc/22/61/99/553226199.db2.gz VLAFMVULVCVTHW-UHFFFAOYSA-N 1 2 366.421 2.470 20 30 FEEDLO C[C@@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC(=O)N1C ZINC000502920011 561630081 /nfs/dbraw/zinc/63/00/81/561630081.db2.gz OJMAQPVHGDWRSV-CYBMUJFWSA-N 1 2 374.510 2.380 20 30 FEEDLO C[C@@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC(=O)N1C ZINC000502920011 561630082 /nfs/dbraw/zinc/63/00/82/561630082.db2.gz OJMAQPVHGDWRSV-CYBMUJFWSA-N 1 2 374.510 2.380 20 30 FEEDLO C[C@H]1CCN(C(=O)C(=O)N2CCC(C#N)([NH+](C)C)CC2)[C@@H](c2ccco2)C1 ZINC000297667436 553322445 /nfs/dbraw/zinc/32/24/45/553322445.db2.gz GDGOVSBTZLWFFC-JKSUJKDBSA-N 1 2 372.469 2.026 20 30 FEEDLO N#Cc1cccc(OCC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000298071967 553380410 /nfs/dbraw/zinc/38/04/10/553380410.db2.gz FDVIEJBAQBYDAJ-UHFFFAOYSA-N 1 2 351.406 2.408 20 30 FEEDLO CC[C@H]1c2ccsc2CCN1C(=O)C(=O)N1CCC(C#N)([NH+](C)C)CC1 ZINC000298226747 553400505 /nfs/dbraw/zinc/40/05/05/553400505.db2.gz ASMSNFZZCPKHBO-HNNXBMFYSA-N 1 2 374.510 2.030 20 30 FEEDLO CC(C)c1noc(CCC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000298385709 553419335 /nfs/dbraw/zinc/41/93/35/553419335.db2.gz BMTCZBCOGUKZKJ-UHFFFAOYSA-N 1 2 367.453 2.342 20 30 FEEDLO N#Cc1ccc(Cc2cnc(NC(=O)NCC[NH+]3CCOCC3)s2)cc1 ZINC000298422827 553423334 /nfs/dbraw/zinc/42/33/34/553423334.db2.gz AQRQDUOVKCIFBR-UHFFFAOYSA-N 1 2 371.466 2.059 20 30 FEEDLO C[C@H]1CCc2c(C#N)c(NC(=O)CC[NH2+][C@@]3(C)CCOC3=O)sc2C1 ZINC000298488833 553431162 /nfs/dbraw/zinc/43/11/62/553431162.db2.gz JLVNMTYXOYHKDR-VOJFVSQTSA-N 1 2 361.467 2.368 20 30 FEEDLO C[NH+]1CCN(Cc2cccc(C(=O)N=c3[nH][nH]c(C4CC4)c3C#N)c2)CC1 ZINC000601735440 553465372 /nfs/dbraw/zinc/46/53/72/553465372.db2.gz DNGCUDNWDVTSEO-UHFFFAOYSA-N 1 2 364.453 2.158 20 30 FEEDLO Cc1[nH][nH]c(=NC(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@@]23CCOC3)c1C#N ZINC000602191797 553536394 /nfs/dbraw/zinc/53/63/94/553536394.db2.gz ZWAXZNMSYNTEJR-YLJYHZDGSA-N 1 2 365.437 2.067 20 30 FEEDLO Cc1[nH][nH]c(=NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@@]23CCOC3)c1C#N ZINC000602191797 553536395 /nfs/dbraw/zinc/53/63/95/553536395.db2.gz ZWAXZNMSYNTEJR-YLJYHZDGSA-N 1 2 365.437 2.067 20 30 FEEDLO CCOC(=O)N1CCC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)CC1 ZINC000299543881 553578762 /nfs/dbraw/zinc/57/87/62/553578762.db2.gz JSOHGMIDVOCMEZ-QGZVFWFLSA-N 1 2 372.469 2.486 20 30 FEEDLO CCOC(=O)N1CCC[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)CC1 ZINC000299543881 553578763 /nfs/dbraw/zinc/57/87/63/553578763.db2.gz JSOHGMIDVOCMEZ-QGZVFWFLSA-N 1 2 372.469 2.486 20 30 FEEDLO CC[C@@H](C)NC(=O)C[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000299642740 553594982 /nfs/dbraw/zinc/59/49/82/553594982.db2.gz QKCGTHAUVLRHLC-OAHLLOKOSA-N 1 2 351.454 2.143 20 30 FEEDLO N#Cc1nc(N2CC[NH+](CC(=O)NCc3ccccc3)CC2)ccc1Cl ZINC000299664644 553599535 /nfs/dbraw/zinc/59/95/35/553599535.db2.gz QWQPYNFWODGNEJ-UHFFFAOYSA-N 1 2 369.856 2.045 20 30 FEEDLO Cc1[nH+]c2ccccc2n1CCC(=O)N1CCN(c2cccc(C#N)n2)CC1 ZINC000504904139 561663839 /nfs/dbraw/zinc/66/38/39/561663839.db2.gz VHELVJZMXVSLDW-UHFFFAOYSA-N 1 2 374.448 2.350 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cnc([C@H]2CCCO2)s1 ZINC000505268124 561668879 /nfs/dbraw/zinc/66/88/79/561668879.db2.gz YVSRBVUIGNHTBW-MRXNPFEDSA-N 1 2 350.488 2.042 20 30 FEEDLO C#Cc1cccc(NC(=O)CN(C)c2cc(N3CCSCC3)[nH+]cn2)c1 ZINC000302859182 553737294 /nfs/dbraw/zinc/73/72/94/553737294.db2.gz UBOJJWWPDPDAOA-UHFFFAOYSA-N 1 2 367.478 2.086 20 30 FEEDLO C#Cc1cccc(NC(=O)CN(C)c2cc(N3CCSCC3)nc[nH+]2)c1 ZINC000302859182 553737296 /nfs/dbraw/zinc/73/72/96/553737296.db2.gz UBOJJWWPDPDAOA-UHFFFAOYSA-N 1 2 367.478 2.086 20 30 FEEDLO O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)c1cn2c(n1)CCCC2 ZINC000328653109 553802532 /nfs/dbraw/zinc/80/25/32/553802532.db2.gz CAZBVKKDKBAAMI-UHFFFAOYSA-N 1 2 371.460 2.485 20 30 FEEDLO C[C@H](C(=O)N1CCCCC1)[N@@H+]1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000328700760 553809390 /nfs/dbraw/zinc/80/93/90/553809390.db2.gz WHOUCRSKIILYEP-STXHMFSFSA-N 1 2 352.438 2.382 20 30 FEEDLO C[C@H](C(=O)N1CCCCC1)[N@H+]1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000328700760 553809392 /nfs/dbraw/zinc/80/93/92/553809392.db2.gz WHOUCRSKIILYEP-STXHMFSFSA-N 1 2 352.438 2.382 20 30 FEEDLO NC(=O)N1CCC[N@H+](CC(=O)Nc2cccc(C(=O)NC3CC3)c2)CC1 ZINC000328719780 553812246 /nfs/dbraw/zinc/81/22/46/553812246.db2.gz VTONPELNAWIVRU-UHFFFAOYSA-N 1 2 359.430 2.242 20 30 FEEDLO NC(=O)N1CCC[N@@H+](CC(=O)Nc2cccc(C(=O)NC3CC3)c2)CC1 ZINC000328719780 553812249 /nfs/dbraw/zinc/81/22/49/553812249.db2.gz VTONPELNAWIVRU-UHFFFAOYSA-N 1 2 359.430 2.242 20 30 FEEDLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)[C@@H]1CC12CCS(=O)(=O)CC2 ZINC000328812782 553825884 /nfs/dbraw/zinc/82/58/84/553825884.db2.gz BMAZCMPHNDSTHX-HNNXBMFYSA-N 1 2 363.483 2.353 20 30 FEEDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cnc([C@@H]3CCCO3)s2)CC1 ZINC000328811992 553825952 /nfs/dbraw/zinc/82/59/52/553825952.db2.gz BDUNGNYUONSUOK-ZDUSSCGKSA-N 1 2 366.487 2.119 20 30 FEEDLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2cnc([C@@H]3CCCO3)s2)CC1 ZINC000328811992 553825957 /nfs/dbraw/zinc/82/59/57/553825957.db2.gz BDUNGNYUONSUOK-ZDUSSCGKSA-N 1 2 366.487 2.119 20 30 FEEDLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)[C@H]1CC12CCS(=O)(=O)CC2 ZINC000328812783 553826222 /nfs/dbraw/zinc/82/62/22/553826222.db2.gz BMAZCMPHNDSTHX-OAHLLOKOSA-N 1 2 363.483 2.353 20 30 FEEDLO Cc1cn2cc(NC(=O)[C@@H]3CC(=O)N(C)[C@@H]3c3ccnn3C)ccc2[nH+]1 ZINC000328852222 553832661 /nfs/dbraw/zinc/83/26/61/553832661.db2.gz ISJSGAYTXMQSBE-DYVFJYSZSA-N 1 2 352.398 2.184 20 30 FEEDLO CCO[C@H](CCNC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1)C1CCCC1 ZINC000328885607 553838615 /nfs/dbraw/zinc/83/86/15/553838615.db2.gz OKHQCHKDIQPPKK-KURKYZTESA-N 1 2 353.507 2.291 20 30 FEEDLO CCO[C@H](CCNC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1)C1CCCC1 ZINC000328885607 553838617 /nfs/dbraw/zinc/83/86/17/553838617.db2.gz OKHQCHKDIQPPKK-KURKYZTESA-N 1 2 353.507 2.291 20 30 FEEDLO CN1CCO[C@H]2CC[N@H+](CC(=O)Nc3ccc(N4CCCCC4)nc3)C[C@@H]21 ZINC000328913266 553843687 /nfs/dbraw/zinc/84/36/87/553843687.db2.gz PKVANCBRVWREFY-ROUUACIJSA-N 1 2 373.501 2.065 20 30 FEEDLO CN1CCO[C@H]2CC[N@@H+](CC(=O)Nc3ccc(N4CCCCC4)nc3)C[C@@H]21 ZINC000328913266 553843690 /nfs/dbraw/zinc/84/36/90/553843690.db2.gz PKVANCBRVWREFY-ROUUACIJSA-N 1 2 373.501 2.065 20 30 FEEDLO C[N@@H+]1CCO[C@H]2CCN(CC(=O)Nc3ccc(N4CCCCC4)nc3)C[C@@H]21 ZINC000328913266 553843693 /nfs/dbraw/zinc/84/36/93/553843693.db2.gz PKVANCBRVWREFY-ROUUACIJSA-N 1 2 373.501 2.065 20 30 FEEDLO C[N@H+]1CCO[C@H]2CCN(CC(=O)Nc3ccc(N4CCCCC4)nc3)C[C@@H]21 ZINC000328913266 553843697 /nfs/dbraw/zinc/84/36/97/553843697.db2.gz PKVANCBRVWREFY-ROUUACIJSA-N 1 2 373.501 2.065 20 30 FEEDLO COc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C ZINC000328968870 553855798 /nfs/dbraw/zinc/85/57/98/553855798.db2.gz NYSGRRUONGLAPY-OLZOCXBDSA-N 1 2 352.822 2.239 20 30 FEEDLO COc1ccc(Cl)cc1NC(=O)C[N@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C ZINC000328968870 553855799 /nfs/dbraw/zinc/85/57/99/553855799.db2.gz NYSGRRUONGLAPY-OLZOCXBDSA-N 1 2 352.822 2.239 20 30 FEEDLO CC[N@H+](C[C@H](C)C#N)[C@@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000506059891 561688788 /nfs/dbraw/zinc/68/87/88/561688788.db2.gz CDSOAJFCDNDEOV-ZBFHGGJFSA-N 1 2 369.469 2.293 20 30 FEEDLO CC[N@@H+](C[C@H](C)C#N)[C@@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000506059891 561688790 /nfs/dbraw/zinc/68/87/90/561688790.db2.gz CDSOAJFCDNDEOV-ZBFHGGJFSA-N 1 2 369.469 2.293 20 30 FEEDLO Cc1ncc(C(=O)N[C@@H]2CCC(=O)N(C3CC3)[C@H]2c2c[nH+]cn2C)s1 ZINC000329064290 553873731 /nfs/dbraw/zinc/87/37/31/553873731.db2.gz OMIQSJSQVLOUDQ-MLGOLLRUSA-N 1 2 359.455 2.384 20 30 FEEDLO COc1ccc(CNC(=O)C[N@@H+]2CCO[C@]3(CCCOC3)C2)cc1OC ZINC000329081105 553877202 /nfs/dbraw/zinc/87/72/02/553877202.db2.gz RSBMCVVKZRSBSV-LJQANCHMSA-N 1 2 364.442 2.042 20 30 FEEDLO COc1ccc(CNC(=O)C[N@H+]2CCO[C@]3(CCCOC3)C2)cc1OC ZINC000329081105 553877204 /nfs/dbraw/zinc/87/72/04/553877204.db2.gz RSBMCVVKZRSBSV-LJQANCHMSA-N 1 2 364.442 2.042 20 30 FEEDLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)N[C@@H]1CCO[C@]2(CCOC2)C1 ZINC000329121271 553884303 /nfs/dbraw/zinc/88/43/03/553884303.db2.gz QJDXVCPLCPXCFB-UYAOXDASSA-N 1 2 370.453 2.273 20 30 FEEDLO Cn1cc[nH+]c1[C@H](NC(=O)CN1C(=O)NC(=O)C1(C)C)C1CCOCC1 ZINC000329190634 553898784 /nfs/dbraw/zinc/89/87/84/553898784.db2.gz QCUXWRLBNSCYNH-CYBMUJFWSA-N 1 2 363.418 2.015 20 30 FEEDLO Cc1cc(NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)cnc1N1CCCC[C@H]1C ZINC000329249230 553910589 /nfs/dbraw/zinc/91/05/89/553910589.db2.gz AREYQKYKHFQLMZ-NXHRZFHOSA-N 1 2 373.501 2.329 20 30 FEEDLO Cc1cc(NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)cnc1N1CCCC[C@H]1C ZINC000329249230 553910591 /nfs/dbraw/zinc/91/05/91/553910591.db2.gz AREYQKYKHFQLMZ-NXHRZFHOSA-N 1 2 373.501 2.329 20 30 FEEDLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)N1CCO[C@@]2(CCCOC2)C1 ZINC000329262160 553912977 /nfs/dbraw/zinc/91/29/77/553912977.db2.gz GANIMSWHTUAQBT-IBGZPJMESA-N 1 2 356.426 2.168 20 30 FEEDLO C[C@H](NC(=O)N[C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1)C(=O)N1CCCC1 ZINC000329289711 553918702 /nfs/dbraw/zinc/91/87/02/553918702.db2.gz AGNGOYPQVHXIBO-KBPBESRZSA-N 1 2 361.490 2.010 20 30 FEEDLO Cc1nnc([C@@H]2CCC[N@H+](CC(=O)Nc3ccc4c(c3)OCCO4)C2)[nH]1 ZINC000329411114 553941315 /nfs/dbraw/zinc/94/13/15/553941315.db2.gz BRHPROPZKAYZEJ-CYBMUJFWSA-N 1 2 357.414 2.352 20 30 FEEDLO Cc1nnc([C@@H]2CCC[N@@H+](CC(=O)Nc3ccc4c(c3)OCCO4)C2)[nH]1 ZINC000329411114 553941317 /nfs/dbraw/zinc/94/13/17/553941317.db2.gz BRHPROPZKAYZEJ-CYBMUJFWSA-N 1 2 357.414 2.352 20 30 FEEDLO Cc1n[nH]c([C@@H]2CCC[N@H+](CC(=O)Nc3ccc4c(c3)OCCO4)C2)n1 ZINC000329411114 553941319 /nfs/dbraw/zinc/94/13/19/553941319.db2.gz BRHPROPZKAYZEJ-CYBMUJFWSA-N 1 2 357.414 2.352 20 30 FEEDLO Cc1n[nH]c([C@@H]2CCC[N@@H+](CC(=O)Nc3ccc4c(c3)OCCO4)C2)n1 ZINC000329411114 553941321 /nfs/dbraw/zinc/94/13/21/553941321.db2.gz BRHPROPZKAYZEJ-CYBMUJFWSA-N 1 2 357.414 2.352 20 30 FEEDLO CCO[C@@H]1C[C@H]([NH+]=C([O-])N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)[C@]12CCCO2 ZINC000329444609 553948343 /nfs/dbraw/zinc/94/83/43/553948343.db2.gz BDCTUVKGMXYZHM-HTBDUDNFSA-N 1 2 362.474 2.407 20 30 FEEDLO CCO[C@@H]1C[C@H](NC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)[C@]12CCCO2 ZINC000329444609 553948344 /nfs/dbraw/zinc/94/83/44/553948344.db2.gz BDCTUVKGMXYZHM-HTBDUDNFSA-N 1 2 362.474 2.407 20 30 FEEDLO COCCn1cc2c(n1)[C@H](NC(=O)N1CCC[C@H](c3[nH]cc[nH+]3)C1)CCC2 ZINC000329451523 553949839 /nfs/dbraw/zinc/94/98/39/553949839.db2.gz CTJRBASDIITZOI-JKSUJKDBSA-N 1 2 372.473 2.424 20 30 FEEDLO CCCC(=O)N[C@@H]1CCCN(C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC000329470498 553952401 /nfs/dbraw/zinc/95/24/01/553952401.db2.gz YWXIXRLMNZAKKZ-IAGOWNOFSA-N 1 2 351.491 2.235 20 30 FEEDLO CCCC(=O)N[C@@H]1CCCN(C(=O)[C@H]2COCC[N@H+]2CC2CCC2)C1 ZINC000329470498 553952403 /nfs/dbraw/zinc/95/24/03/553952403.db2.gz YWXIXRLMNZAKKZ-IAGOWNOFSA-N 1 2 351.491 2.235 20 30 FEEDLO CNC(=O)[C@]1(C)CCN(C(=O)N[C@H](c2[nH+]ccn2C)C2CCOCC2)C1 ZINC000329516661 553961007 /nfs/dbraw/zinc/96/10/07/553961007.db2.gz YVRJOFGSWMLVJZ-KBXCAEBGSA-N 1 2 363.462 2.100 20 30 FEEDLO O=C(NCCc1cn2c(n1)SCC2)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000329535924 553963917 /nfs/dbraw/zinc/96/39/17/553963917.db2.gz ZTGDGRNUJRWUTQ-HNNXBMFYSA-N 1 2 350.488 2.131 20 30 FEEDLO O=C(NCCc1cn2c(n1)SCC2)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000329535924 553963914 /nfs/dbraw/zinc/96/39/14/553963914.db2.gz ZTGDGRNUJRWUTQ-HNNXBMFYSA-N 1 2 350.488 2.131 20 30 FEEDLO O=C(N[C@H]1CCCN(c2cccnc2)C1=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000329576176 553970277 /nfs/dbraw/zinc/97/02/77/553970277.db2.gz SGCGFZSRPMHHFZ-INIZCTEOSA-N 1 2 368.441 2.094 20 30 FEEDLO O=C(N[C@H]1CCCN(c2cccnc2)C1=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000329576176 553970279 /nfs/dbraw/zinc/97/02/79/553970279.db2.gz SGCGFZSRPMHHFZ-INIZCTEOSA-N 1 2 368.441 2.094 20 30 FEEDLO [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1CCCN2c3ccccc3C[C@H]2C1 ZINC000329632141 553979578 /nfs/dbraw/zinc/97/95/78/553979578.db2.gz WDYVUUOGPVYBCC-SJORKVTESA-N 1 2 351.454 2.249 20 30 FEEDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)N1CCCN2c3ccccc3C[C@H]2C1 ZINC000329632141 553979581 /nfs/dbraw/zinc/97/95/81/553979581.db2.gz WDYVUUOGPVYBCC-SJORKVTESA-N 1 2 351.454 2.249 20 30 FEEDLO CC(C)(CNC(=O)CN1CCC=C(c2cccnc2)C1)[NH+]1CCOCC1 ZINC000329656274 553983528 /nfs/dbraw/zinc/98/35/28/553983528.db2.gz GFUUFYRVTCVPCW-UHFFFAOYSA-N 1 2 358.486 2.238 20 30 FEEDLO Cc1sccc1C[NH+]1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000507039820 561715019 /nfs/dbraw/zinc/71/50/19/561715019.db2.gz QWVMIVCDNJVSKS-UHFFFAOYSA-N 1 2 361.492 2.435 20 30 FEEDLO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)NC[C@@H]2CCCSC2)CC1 ZINC000329705050 553992559 /nfs/dbraw/zinc/99/25/59/553992559.db2.gz JWGYWOAQGMIXPP-INIZCTEOSA-N 1 2 365.547 2.212 20 30 FEEDLO CC[C@@H]1CC[C@@H](C)N1C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000329860320 554020408 /nfs/dbraw/zinc/02/04/08/554020408.db2.gz XGKOEVLDZOTRJN-GDBMZVCRSA-N 1 2 359.474 2.278 20 30 FEEDLO Cn1cc[nH+]c1[C@@H]1CN(C(=O)N[C@@H]2CCOc3ccccc32)CCN1C ZINC000329966631 554040595 /nfs/dbraw/zinc/04/05/95/554040595.db2.gz RXUHYOFPDRIBOG-CVEARBPZSA-N 1 2 355.442 2.146 20 30 FEEDLO C[C@H]1CC[C@H](NC(=O)NC[C@@H]2C[C@H](F)CN2Cc2[nH+]ccn2C)CC1 ZINC000329969921 554041041 /nfs/dbraw/zinc/04/10/41/554041041.db2.gz XPRJLKQWQBILCK-VGWMRTNUSA-N 1 2 351.470 2.415 20 30 FEEDLO Cn1cc[nH+]c1[C@H]1CN(C(=O)N[C@@H]2CCc3c2cccc3F)CCN1C ZINC000329985871 554044528 /nfs/dbraw/zinc/04/45/28/554044528.db2.gz DSNMLHMVAOKTSU-IAGOWNOFSA-N 1 2 357.433 2.449 20 30 FEEDLO CCC1(CC)[C@H](NC(=O)N2CCN(C)[C@H](c3[nH+]ccn3C)C2)C[C@H]1OC ZINC000329993591 554045719 /nfs/dbraw/zinc/04/57/19/554045719.db2.gz LOBWFPOMCSTITF-ARFHVFGLSA-N 1 2 363.506 2.216 20 30 FEEDLO CN1CCc2ccc(NC(=O)N3CCC(c4c[nH+]c[nH]4)CC3)cc2C1=O ZINC000329994931 554046396 /nfs/dbraw/zinc/04/63/96/554046396.db2.gz MRLBWUPRLQGHII-UHFFFAOYSA-N 1 2 353.426 2.463 20 30 FEEDLO CN1CCc2ccc(NC(=O)N3CCC(c4c[nH]c[nH+]4)CC3)cc2C1=O ZINC000329994931 554046399 /nfs/dbraw/zinc/04/63/99/554046399.db2.gz MRLBWUPRLQGHII-UHFFFAOYSA-N 1 2 353.426 2.463 20 30 FEEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@@H]1CCCS(=O)(=O)C1 ZINC000330002612 554047518 /nfs/dbraw/zinc/04/75/18/554047518.db2.gz BDPRDDVKXFXSBI-SNVBAGLBSA-N 1 2 357.382 2.157 20 30 FEEDLO Cc1nc(CC2CC2)oc1C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000330015649 554049565 /nfs/dbraw/zinc/04/95/65/554049565.db2.gz OHNRZTNHKUMYRW-SFHVURJKSA-N 1 2 365.499 2.448 20 30 FEEDLO O=C(N[C@H](Cc1ccccc1)C[NH+]1CCOCC1)N[C@@H]1CCCSC1 ZINC000330102232 554064584 /nfs/dbraw/zinc/06/45/84/554064584.db2.gz FZROPCQDRCRKKK-QZTJIDSGSA-N 1 2 363.527 2.329 20 30 FEEDLO O=C(NCc1ccc(N2CCCCC2)[nH+]c1)c1cn([C@H]2CCOC2)nn1 ZINC000330118917 554067691 /nfs/dbraw/zinc/06/76/91/554067691.db2.gz ZFAOLWLOMYDBTP-HNNXBMFYSA-N 1 2 356.430 2.130 20 30 FEEDLO O=C(N[C@@H]1CCN(c2cccc(Cl)c2)C1=O)N1CCn2cc[nH+]c2C1 ZINC000330261490 554095031 /nfs/dbraw/zinc/09/50/31/554095031.db2.gz UGYBIQFMZQMQFQ-CQSZACIVSA-N 1 2 359.817 2.072 20 30 FEEDLO C[C@@H](NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)c1nncn1C ZINC000330320963 554104920 /nfs/dbraw/zinc/10/49/20/554104920.db2.gz FOUFCRPABNTPIC-CYBMUJFWSA-N 1 2 357.462 2.203 20 30 FEEDLO CC(=O)N[C@@H](C)C1CC[NH+](CC(=O)Nc2sc(C)c(C)c2C#N)CC1 ZINC000331124847 554217285 /nfs/dbraw/zinc/21/72/85/554217285.db2.gz OGMBVTHILLUEEP-LBPRGKRZSA-N 1 2 362.499 2.412 20 30 FEEDLO Cc1cc([C@H](C)NC(=O)N2CCO[C@H](C[N@H+](C)CC(N)=O)C2)c(C)o1 ZINC000331253972 554237172 /nfs/dbraw/zinc/23/71/72/554237172.db2.gz WFOWAEXETTVFJU-GXTWGEPZSA-N 1 2 352.435 2.039 20 30 FEEDLO Cc1cc([C@H](C)NC(=O)N2CCO[C@H](C[N@@H+](C)CC(N)=O)C2)c(C)o1 ZINC000331253972 554237174 /nfs/dbraw/zinc/23/71/74/554237174.db2.gz WFOWAEXETTVFJU-GXTWGEPZSA-N 1 2 352.435 2.039 20 30 FEEDLO C=CCN(CCc1ccco1)C(=O)C(=O)NCc1[nH+]ccn1CC(C)C ZINC000508782608 561772700 /nfs/dbraw/zinc/77/27/00/561772700.db2.gz CVLGVOKUHFEPGF-UHFFFAOYSA-N 1 2 358.442 2.006 20 30 FEEDLO CCc1cnc(N2CC[NH+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC2)s1 ZINC000331276665 554240105 /nfs/dbraw/zinc/24/01/05/554240105.db2.gz RDFZVHJUFVUOTB-KBXCAEBGSA-N 1 2 363.531 2.270 20 30 FEEDLO C[C@@H](C(=O)NC(C)(C)C)[N@H+](C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000331326251 554247388 /nfs/dbraw/zinc/24/73/88/554247388.db2.gz OQXUKIWSLGRBTO-YOEHRIQHSA-N 1 2 356.470 2.289 20 30 FEEDLO C[C@@H](C(=O)NC(C)(C)C)[N@@H+](C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000331326251 554247394 /nfs/dbraw/zinc/24/73/94/554247394.db2.gz OQXUKIWSLGRBTO-YOEHRIQHSA-N 1 2 356.470 2.289 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCN(c2nc3ccccc3o2)CC1 ZINC000331429239 554262557 /nfs/dbraw/zinc/26/25/57/554262557.db2.gz AQILQIXIVVYNLY-YWZLYKJASA-N 1 2 369.469 2.393 20 30 FEEDLO CCN1CCN([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C[C@H]1c1[nH]cc[nH+]1 ZINC000331479487 554271447 /nfs/dbraw/zinc/27/14/47/554271447.db2.gz NVTITEPKIGLRHY-CJNGLKHVSA-N 1 2 370.457 2.197 20 30 FEEDLO CC[C@H]1CN(S(=O)(=O)N(C)[C@H](C)CC#N)CC[N@@H+]1Cc1ccccc1 ZINC000509299561 561794392 /nfs/dbraw/zinc/79/43/92/561794392.db2.gz ZREPNYLGDCEOBA-AEFFLSMTSA-N 1 2 364.515 2.062 20 30 FEEDLO CC[C@H]1CN(S(=O)(=O)N(C)[C@H](C)CC#N)CC[N@H+]1Cc1ccccc1 ZINC000509299561 561794393 /nfs/dbraw/zinc/79/43/93/561794393.db2.gz ZREPNYLGDCEOBA-AEFFLSMTSA-N 1 2 364.515 2.062 20 30 FEEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1ccc2c(c1)OC(F)(F)O2 ZINC000509401006 561797974 /nfs/dbraw/zinc/79/79/74/561797974.db2.gz RVVYILVFWUALCR-GFCCVEGCSA-N 1 2 373.363 2.380 20 30 FEEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1ccc2c(c1)OC(F)(F)O2 ZINC000509401006 561797975 /nfs/dbraw/zinc/79/79/75/561797975.db2.gz RVVYILVFWUALCR-GFCCVEGCSA-N 1 2 373.363 2.380 20 30 FEEDLO CCN1CC[NH+]([C@H]2CCN(C(=O)C[C@@H](CC#N)c3ccccc3)C2)CC1 ZINC000332328893 554426112 /nfs/dbraw/zinc/42/61/12/554426112.db2.gz UATBYEBDQYBPJI-UXHICEINSA-N 1 2 354.498 2.312 20 30 FEEDLO CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000332526272 554462964 /nfs/dbraw/zinc/46/29/64/554462964.db2.gz FFHUFTWSRGEAPN-FUHWJXTLSA-N 1 2 355.486 2.255 20 30 FEEDLO Cc1c(C#N)cccc1C(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000510491741 561836587 /nfs/dbraw/zinc/83/65/87/561836587.db2.gz MTKLMJNFZMYOPR-CQSZACIVSA-N 1 2 350.422 2.417 20 30 FEEDLO Cn1cc(C#N)c(=NC(=O)N2CC[NH+](Cc3ccc(Cl)cc3)CC2)[nH]1 ZINC000610564991 554530919 /nfs/dbraw/zinc/53/09/19/554530919.db2.gz VAHBDKVYESWJFD-UHFFFAOYSA-N 1 2 358.833 2.295 20 30 FEEDLO Cc1nnc([C@H]2CC[N@@H+]([C@H](C)C(=O)N(C)C3(C#N)CCC(C)CC3)C2)[nH]1 ZINC000333119861 554575238 /nfs/dbraw/zinc/57/52/38/554575238.db2.gz HZTAIZCEQRZAES-XLMXBGDPSA-N 1 2 358.490 2.222 20 30 FEEDLO Cc1nnc([C@H]2CC[N@H+]([C@H](C)C(=O)N(C)C3(C#N)CCC(C)CC3)C2)[nH]1 ZINC000333119861 554575241 /nfs/dbraw/zinc/57/52/41/554575241.db2.gz HZTAIZCEQRZAES-XLMXBGDPSA-N 1 2 358.490 2.222 20 30 FEEDLO Cc1n[nH]c([C@H]2CC[N@@H+]([C@H](C)C(=O)N(C)C3(C#N)CCC(C)CC3)C2)n1 ZINC000333119861 554575245 /nfs/dbraw/zinc/57/52/45/554575245.db2.gz HZTAIZCEQRZAES-XLMXBGDPSA-N 1 2 358.490 2.222 20 30 FEEDLO Cc1n[nH]c([C@H]2CC[N@H+]([C@H](C)C(=O)N(C)C3(C#N)CCC(C)CC3)C2)n1 ZINC000333119861 554575248 /nfs/dbraw/zinc/57/52/48/554575248.db2.gz HZTAIZCEQRZAES-XLMXBGDPSA-N 1 2 358.490 2.222 20 30 FEEDLO Cc1nc([C@H]2CC[N@@H+]([C@H](C)C(=O)N(C)C3(C#N)CCC(C)CC3)C2)n[nH]1 ZINC000333119861 554575251 /nfs/dbraw/zinc/57/52/51/554575251.db2.gz HZTAIZCEQRZAES-XLMXBGDPSA-N 1 2 358.490 2.222 20 30 FEEDLO Cc1nc([C@H]2CC[N@H+]([C@H](C)C(=O)N(C)C3(C#N)CCC(C)CC3)C2)n[nH]1 ZINC000333119861 554575254 /nfs/dbraw/zinc/57/52/54/554575254.db2.gz HZTAIZCEQRZAES-XLMXBGDPSA-N 1 2 358.490 2.222 20 30 FEEDLO CCN(C[C@@H]1COc2ccccc2O1)C(=O)C[NH+]1CCC(F)(C#N)CC1 ZINC000510934742 561851142 /nfs/dbraw/zinc/85/11/42/561851142.db2.gz REJAJCVBOXQLGB-OAHLLOKOSA-N 1 2 361.417 2.003 20 30 FEEDLO N#Cc1cc(Oc2ccc(N3C(=O)N[C@@H](Cc4c[nH+]c[nH]4)C3=O)cc2)ccn1 ZINC000348983978 554707588 /nfs/dbraw/zinc/70/75/88/554707588.db2.gz NBPDTFVFISVSDH-KRWDZBQOSA-N 1 2 374.360 2.136 20 30 FEEDLO CN(C)S(=O)(=O)[C@H]1CCC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000511095206 561856609 /nfs/dbraw/zinc/85/66/09/561856609.db2.gz JNGVZAJMLQPBGZ-INIZCTEOSA-N 1 2 374.428 2.413 20 30 FEEDLO CN(C)S(=O)(=O)[C@H]1CCC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000511095206 561856610 /nfs/dbraw/zinc/85/66/10/561856610.db2.gz JNGVZAJMLQPBGZ-INIZCTEOSA-N 1 2 374.428 2.413 20 30 FEEDLO CC[N@@H+]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)[C@@H](C)C1 ZINC000511272570 561863613 /nfs/dbraw/zinc/86/36/13/561863613.db2.gz QBGCSZJEIAQKIR-NSHDSACASA-N 1 2 361.389 2.292 20 30 FEEDLO CC[N@H+]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)[C@@H](C)C1 ZINC000511272570 561863614 /nfs/dbraw/zinc/86/36/14/561863614.db2.gz QBGCSZJEIAQKIR-NSHDSACASA-N 1 2 361.389 2.292 20 30 FEEDLO N#Cc1ccc(Cl)cc1NC(=O)C[NH+]1CCC(C(=O)NC2CC2)CC1 ZINC000361799996 554935727 /nfs/dbraw/zinc/93/57/27/554935727.db2.gz SOVRSAFEPKHNOC-UHFFFAOYSA-N 1 2 360.845 2.141 20 30 FEEDLO Cc1cc(N2CC[C@@H]([N@H+]3CC=C(c4ccc(C#N)cc4)CC3)C2=O)n(C)n1 ZINC000362103314 554950320 /nfs/dbraw/zinc/95/03/20/554950320.db2.gz ROABJFMTPJZYSS-LJQANCHMSA-N 1 2 361.449 2.495 20 30 FEEDLO Cc1cc(N2CC[C@@H]([N@@H+]3CC=C(c4ccc(C#N)cc4)CC3)C2=O)n(C)n1 ZINC000362103314 554950321 /nfs/dbraw/zinc/95/03/21/554950321.db2.gz ROABJFMTPJZYSS-LJQANCHMSA-N 1 2 361.449 2.495 20 30 FEEDLO CN(CC(F)(F)F)C(=O)C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000363483467 555116986 /nfs/dbraw/zinc/11/69/86/555116986.db2.gz XGVVQSITRSOLLN-UHFFFAOYSA-N 1 2 355.360 2.422 20 30 FEEDLO N#CCCN(C(=O)C[N@@H+]1CCC[C@@H](N2CCCCC2=O)C1)c1ccccc1 ZINC000363501078 555121731 /nfs/dbraw/zinc/12/17/31/555121731.db2.gz UENVILHMLRYORD-LJQANCHMSA-N 1 2 368.481 2.410 20 30 FEEDLO N#CCCN(C(=O)C[N@H+]1CCC[C@@H](N2CCCCC2=O)C1)c1ccccc1 ZINC000363501078 555121733 /nfs/dbraw/zinc/12/17/33/555121733.db2.gz UENVILHMLRYORD-LJQANCHMSA-N 1 2 368.481 2.410 20 30 FEEDLO COC(=O)CC[N@H+](Cc1ncc(-c2ccc(C#N)cc2)o1)CC(OC)OC ZINC000364057473 555242178 /nfs/dbraw/zinc/24/21/78/555242178.db2.gz QLHSFDKVEOZXSQ-UHFFFAOYSA-N 1 2 373.409 2.197 20 30 FEEDLO COC(=O)CC[N@@H+](Cc1ncc(-c2ccc(C#N)cc2)o1)CC(OC)OC ZINC000364057473 555242179 /nfs/dbraw/zinc/24/21/79/555242179.db2.gz QLHSFDKVEOZXSQ-UHFFFAOYSA-N 1 2 373.409 2.197 20 30 FEEDLO N#Cc1ccc(NC2CCN(C(=O)c3cccc(-n4cc[nH+]c4)c3)CC2)nc1 ZINC000364169529 555262533 /nfs/dbraw/zinc/26/25/33/555262533.db2.gz PKHDGTWZPQIHQU-UHFFFAOYSA-N 1 2 372.432 2.856 20 30 FEEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCCN(C(=O)C(C)(C)C)CC1 ZINC000364595779 555348052 /nfs/dbraw/zinc/34/80/52/555348052.db2.gz QDCYIFVLPKEQCZ-OAHLLOKOSA-N 1 2 356.470 2.466 20 30 FEEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCCN(C(=O)C(C)(C)C)CC1 ZINC000364595779 555348054 /nfs/dbraw/zinc/34/80/54/555348054.db2.gz QDCYIFVLPKEQCZ-OAHLLOKOSA-N 1 2 356.470 2.466 20 30 FEEDLO CS(=O)(=O)CC1(C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)CC1 ZINC000512826934 561916876 /nfs/dbraw/zinc/91/68/76/561916876.db2.gz HJGHPQTZKKJTGP-UHFFFAOYSA-N 1 2 366.458 2.365 20 30 FEEDLO Cc1cc(N2CCC(NC(=O)Cc3cccc(OCC#N)c3)CC2)nc[nH+]1 ZINC000366883169 555959673 /nfs/dbraw/zinc/95/96/73/555959673.db2.gz MVDKWXYGKACREZ-UHFFFAOYSA-N 1 2 365.437 2.015 20 30 FEEDLO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N([C@@H]2CCO[C@@H]2C2CC2)CC1=O ZINC000367012978 555997510 /nfs/dbraw/zinc/99/75/10/555997510.db2.gz HKTZHEXBCRHQOZ-CRAIPNDOSA-N 1 2 352.438 2.214 20 30 FEEDLO CN1c2ccccc2N(C)C1=C1C(=O)CN([C@H]2CCO[C@@H]2C2CC2)C1=[NH2+] ZINC000367012979 555997594 /nfs/dbraw/zinc/99/75/94/555997594.db2.gz HKTZHEXBCRHQOZ-MAUKXSAKSA-N 1 2 352.438 2.214 20 30 FEEDLO Cc1cc(F)ccc1[C@H]1C(=O)NCCN1Cc1c[nH+]c2ccc(C#N)cn12 ZINC000367438927 556049024 /nfs/dbraw/zinc/04/90/24/556049024.db2.gz QHYDDRVSTDNSPF-IBGZPJMESA-N 1 2 363.396 2.327 20 30 FEEDLO C[C@@H]1C[C@@H](N2CCOCC2)C[N@@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000367602529 556094502 /nfs/dbraw/zinc/09/45/02/556094502.db2.gz UHTKDMBSTSWYCM-HZPDHXFCSA-N 1 2 374.510 2.036 20 30 FEEDLO C[C@@H]1C[C@@H](N2CCOCC2)C[N@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000367602529 556094506 /nfs/dbraw/zinc/09/45/06/556094506.db2.gz UHTKDMBSTSWYCM-HZPDHXFCSA-N 1 2 374.510 2.036 20 30 FEEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1CC(=O)Nc1ccccc1SCC#N ZINC000367602529 556094510 /nfs/dbraw/zinc/09/45/10/556094510.db2.gz UHTKDMBSTSWYCM-HZPDHXFCSA-N 1 2 374.510 2.036 20 30 FEEDLO O=C1[C@H]2C[N@H+](CC#Cc3ccc(F)cc3)CCN2C(=O)N1c1ccccc1 ZINC000367772106 556135209 /nfs/dbraw/zinc/13/52/09/556135209.db2.gz XNXYXGSIYPQIGQ-LJQANCHMSA-N 1 2 363.392 2.330 20 30 FEEDLO O=C1[C@H]2C[N@@H+](CC#Cc3ccc(F)cc3)CCN2C(=O)N1c1ccccc1 ZINC000367772106 556135212 /nfs/dbraw/zinc/13/52/12/556135212.db2.gz XNXYXGSIYPQIGQ-LJQANCHMSA-N 1 2 363.392 2.330 20 30 FEEDLO N#Cc1ccc(OC(F)F)c(NC(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)c1 ZINC000367923030 556173430 /nfs/dbraw/zinc/17/34/30/556173430.db2.gz AOCURYCJHOHFKU-ZDUSSCGKSA-N 1 2 366.368 2.144 20 30 FEEDLO N#Cc1ccc(OC(F)F)c(NC(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)c1 ZINC000367923030 556173432 /nfs/dbraw/zinc/17/34/32/556173432.db2.gz AOCURYCJHOHFKU-ZDUSSCGKSA-N 1 2 366.368 2.144 20 30 FEEDLO CCC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000368670157 556381156 /nfs/dbraw/zinc/38/11/56/556381156.db2.gz RAJUVTVLUIZARX-HUUCEWRRSA-N 1 2 360.483 2.424 20 30 FEEDLO CCC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1CC(=O)Nc1sccc1C#N ZINC000368670157 556381158 /nfs/dbraw/zinc/38/11/58/556381158.db2.gz RAJUVTVLUIZARX-HUUCEWRRSA-N 1 2 360.483 2.424 20 30 FEEDLO C=CCCCCCNC(=O)N1CC[NH+](CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000515497584 562012954 /nfs/dbraw/zinc/01/29/54/562012954.db2.gz WRRONHYZSZLPJO-SFHVURJKSA-N 1 2 364.534 2.461 20 30 FEEDLO Cc1ccc(C#N)cc1NC(=O)N1CCC[N@H+](CC(=O)NC(C)(C)C)CC1 ZINC000368804107 556417407 /nfs/dbraw/zinc/41/74/07/556417407.db2.gz ZZPAWPKIRZFRHU-UHFFFAOYSA-N 1 2 371.485 2.321 20 30 FEEDLO Cc1ccc(C#N)cc1NC(=O)N1CCC[N@@H+](CC(=O)NC(C)(C)C)CC1 ZINC000368804107 556417409 /nfs/dbraw/zinc/41/74/09/556417409.db2.gz ZZPAWPKIRZFRHU-UHFFFAOYSA-N 1 2 371.485 2.321 20 30 FEEDLO Cc1ccc(N2CCC[C@@H](C(=O)N=c3[nH]n(C(C)C)cc3C#N)C2)[nH+]c1 ZINC000369140446 556514156 /nfs/dbraw/zinc/51/41/56/556514156.db2.gz SEWIHNVYTCNKOP-OAHLLOKOSA-N 1 2 352.442 2.894 20 30 FEEDLO N#CC1(c2ccccn2)CC[NH+](Cc2cc(=O)n3ccsc3n2)CC1 ZINC000369208211 556536251 /nfs/dbraw/zinc/53/62/51/556536251.db2.gz VVOMOLFJXZBHDT-UHFFFAOYSA-N 1 2 351.435 2.208 20 30 FEEDLO N#Cc1ccccc1Cn1nnc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000369257397 556552533 /nfs/dbraw/zinc/55/25/33/556552533.db2.gz ZUDYQBUZPOATRW-IBGZPJMESA-N 1 2 360.421 2.167 20 30 FEEDLO N#Cc1ccccc1Cn1nnc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000369257397 556552536 /nfs/dbraw/zinc/55/25/36/556552536.db2.gz ZUDYQBUZPOATRW-IBGZPJMESA-N 1 2 360.421 2.167 20 30 FEEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCCN(C(=O)c2ccoc2)CC1 ZINC000369384440 556586503 /nfs/dbraw/zinc/58/65/03/556586503.db2.gz CWMBPJCKZDKFOF-OAHLLOKOSA-N 1 2 366.421 2.326 20 30 FEEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCCN(C(=O)c2ccoc2)CC1 ZINC000369384440 556586504 /nfs/dbraw/zinc/58/65/04/556586504.db2.gz CWMBPJCKZDKFOF-OAHLLOKOSA-N 1 2 366.421 2.326 20 30 FEEDLO Cc1cc(CNC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc(C)[nH+]1 ZINC000516172651 562033984 /nfs/dbraw/zinc/03/39/84/562033984.db2.gz MSTBWFUWQUDBBZ-QGZVFWFLSA-N 1 2 351.410 2.328 20 30 FEEDLO C#CCSCCNC(=O)N[C@H](c1[nH+]ccn1C)c1cccc(OC)c1 ZINC000369603743 556644532 /nfs/dbraw/zinc/64/45/32/556644532.db2.gz ZWTVJOQOCVVYJS-INIZCTEOSA-N 1 2 358.467 2.184 20 30 FEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369684182 556668042 /nfs/dbraw/zinc/66/80/42/556668042.db2.gz RYAUIISZDIAUQV-KRWDZBQOSA-N 1 2 369.381 2.214 20 30 FEEDLO C[C@@H]1C[C@@]2(C[C@H]2C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCO1 ZINC000369900228 556725000 /nfs/dbraw/zinc/72/50/00/556725000.db2.gz AIFRITRRLCHZEP-LKUPVBHCSA-N 1 2 353.466 2.408 20 30 FEEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000371409243 557177031 /nfs/dbraw/zinc/17/70/31/557177031.db2.gz KRLXBWZXKJDPBV-INIZCTEOSA-N 1 2 354.454 2.078 20 30 FEEDLO N#Cc1cc(C[NH+]2CCOCC2)cn(Cc2ccc(Cl)c(F)c2)c1=O ZINC000517758792 562097420 /nfs/dbraw/zinc/09/74/20/562097420.db2.gz FGKRCELCJTXIAM-UHFFFAOYSA-N 1 2 361.804 2.393 20 30 FEEDLO Cc1cc(C)c(C#N)c(N2CC[NH+](CC(=O)N[C@H]3CCC[C@@H](C)C3)CC2)n1 ZINC000518201735 562106372 /nfs/dbraw/zinc/10/63/72/562106372.db2.gz CWJPVSHBLROGSP-QAPCUYQASA-N 1 2 369.513 2.387 20 30 FEEDLO N#CCC1(CS(=O)(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)CC1 ZINC000518312748 562108287 /nfs/dbraw/zinc/10/82/87/562108287.db2.gz DGICPSHWEQGYFK-UHFFFAOYSA-N 1 2 367.902 2.311 20 30 FEEDLO N#CCC1(CS(=O)(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)CC1 ZINC000518312748 562108288 /nfs/dbraw/zinc/10/82/88/562108288.db2.gz DGICPSHWEQGYFK-UHFFFAOYSA-N 1 2 367.902 2.311 20 30 FEEDLO CC(C)c1nc2n(n1)CCC[C@@H]2[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000518964734 562121948 /nfs/dbraw/zinc/12/19/48/562121948.db2.gz DAZXNOZPRMZXPE-INIZCTEOSA-N 1 2 373.482 2.172 20 30 FEEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@H]2C(=O)Nc2cc(C)ccc2OC)C1=O ZINC000374163680 557834891 /nfs/dbraw/zinc/83/48/91/557834891.db2.gz PWHHICSEFYMRPP-DLBZAZTESA-N 1 2 357.454 2.193 20 30 FEEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H]2C(=O)Nc2cc(C)ccc2OC)C1=O ZINC000374163680 557834892 /nfs/dbraw/zinc/83/48/92/557834892.db2.gz PWHHICSEFYMRPP-DLBZAZTESA-N 1 2 357.454 2.193 20 30 FEEDLO COc1cc(C[N@@H+]2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)ccc1C#N ZINC000374210980 557844373 /nfs/dbraw/zinc/84/43/73/557844373.db2.gz MFFRWPWCODOTBV-IERDGZPVSA-N 1 2 358.401 2.412 20 30 FEEDLO COc1cc(C[N@H+]2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)ccc1C#N ZINC000374210980 557844374 /nfs/dbraw/zinc/84/43/74/557844374.db2.gz MFFRWPWCODOTBV-IERDGZPVSA-N 1 2 358.401 2.412 20 30 FEEDLO CC(=O)Oc1ccc(C[N@@H+]2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)cc1 ZINC000374348364 557869651 /nfs/dbraw/zinc/86/96/51/557869651.db2.gz FXKNCDJYHKOHCT-KKSFZXQISA-N 1 2 361.401 2.457 20 30 FEEDLO CC(=O)Oc1ccc(C[N@H+]2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)cc1 ZINC000374348364 557869652 /nfs/dbraw/zinc/86/96/52/557869652.db2.gz FXKNCDJYHKOHCT-KKSFZXQISA-N 1 2 361.401 2.457 20 30 FEEDLO COC(=O)c1cc(C[N@@H+]2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)oc1C ZINC000374364814 557872452 /nfs/dbraw/zinc/87/24/52/557872452.db2.gz HUAMSQGCASGGGO-ZUOKHONESA-N 1 2 365.389 2.220 20 30 FEEDLO COC(=O)c1cc(C[N@H+]2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)oc1C ZINC000374364814 557872454 /nfs/dbraw/zinc/87/24/54/557872454.db2.gz HUAMSQGCASGGGO-ZUOKHONESA-N 1 2 365.389 2.220 20 30 FEEDLO COc1cc(OC)cc([C@]2(F)CC[N@@H+]([C@@H](C)C(=O)N(C)CCC#N)C2)c1 ZINC000374634988 557909809 /nfs/dbraw/zinc/90/98/09/557909809.db2.gz FPPQZTNXBSBUTA-LIRRHRJNSA-N 1 2 363.433 2.335 20 30 FEEDLO COc1cc(OC)cc([C@]2(F)CC[N@H+]([C@@H](C)C(=O)N(C)CCC#N)C2)c1 ZINC000374634988 557909811 /nfs/dbraw/zinc/90/98/11/557909811.db2.gz FPPQZTNXBSBUTA-LIRRHRJNSA-N 1 2 363.433 2.335 20 30 FEEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@@H](c2nc(N(C)C)no2)C1 ZINC000374636902 557910047 /nfs/dbraw/zinc/91/00/47/557910047.db2.gz OZCSKMWPDGYLNI-UKRRQHHQSA-N 1 2 368.441 2.214 20 30 FEEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@@H](c2nc(N(C)C)no2)C1 ZINC000374636902 557910049 /nfs/dbraw/zinc/91/00/49/557910049.db2.gz OZCSKMWPDGYLNI-UKRRQHHQSA-N 1 2 368.441 2.214 20 30 FEEDLO Cc1[nH+]c2ccc(C(=O)N3CCN(c4ccc(C#N)nc4)CC3)cc2n1C ZINC000374875199 557944355 /nfs/dbraw/zinc/94/43/55/557944355.db2.gz LDTNOYOSTYYAEG-UHFFFAOYSA-N 1 2 360.421 2.111 20 30 FEEDLO C#Cc1cc(F)c(NC(=O)C(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)c(F)c1 ZINC000374923585 557951855 /nfs/dbraw/zinc/95/18/55/557951855.db2.gz FIZWGEVFIYGUQB-CYBMUJFWSA-N 1 2 372.375 2.024 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@H](c3nc(C4CC4)no3)C2)cc1 ZINC000375467963 558032571 /nfs/dbraw/zinc/03/25/71/558032571.db2.gz ZECSBVUKGUDHKK-HNNXBMFYSA-N 1 2 372.450 2.082 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@H](c3nc(C4CC4)no3)C2)cc1 ZINC000375467963 558032573 /nfs/dbraw/zinc/03/25/73/558032573.db2.gz ZECSBVUKGUDHKK-HNNXBMFYSA-N 1 2 372.450 2.082 20 30 FEEDLO Cc1nnc([C@H]2CC[N@@H+]([C@H](C)C(=O)N(CCC#N)c3ccccc3)C2)[nH]1 ZINC000521574542 562178964 /nfs/dbraw/zinc/17/89/64/562178964.db2.gz NBQWXYJUZWOQPG-ZBFHGGJFSA-N 1 2 352.442 2.238 20 30 FEEDLO Cc1nnc([C@H]2CC[N@H+]([C@H](C)C(=O)N(CCC#N)c3ccccc3)C2)[nH]1 ZINC000521574542 562178965 /nfs/dbraw/zinc/17/89/65/562178965.db2.gz NBQWXYJUZWOQPG-ZBFHGGJFSA-N 1 2 352.442 2.238 20 30 FEEDLO Cc1n[nH]c([C@H]2CC[N@@H+]([C@H](C)C(=O)N(CCC#N)c3ccccc3)C2)n1 ZINC000521574542 562178966 /nfs/dbraw/zinc/17/89/66/562178966.db2.gz NBQWXYJUZWOQPG-ZBFHGGJFSA-N 1 2 352.442 2.238 20 30 FEEDLO Cc1n[nH]c([C@H]2CC[N@H+]([C@H](C)C(=O)N(CCC#N)c3ccccc3)C2)n1 ZINC000521574542 562178967 /nfs/dbraw/zinc/17/89/67/562178967.db2.gz NBQWXYJUZWOQPG-ZBFHGGJFSA-N 1 2 352.442 2.238 20 30 FEEDLO Cc1nc([C@H]2CC[N@@H+]([C@H](C)C(=O)N(CCC#N)c3ccccc3)C2)n[nH]1 ZINC000521574542 562178968 /nfs/dbraw/zinc/17/89/68/562178968.db2.gz NBQWXYJUZWOQPG-ZBFHGGJFSA-N 1 2 352.442 2.238 20 30 FEEDLO Cc1nc([C@H]2CC[N@H+]([C@H](C)C(=O)N(CCC#N)c3ccccc3)C2)n[nH]1 ZINC000521574542 562178969 /nfs/dbraw/zinc/17/89/69/562178969.db2.gz NBQWXYJUZWOQPG-ZBFHGGJFSA-N 1 2 352.442 2.238 20 30 FEEDLO N#CC1(c2ccccn2)CC[NH+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000376739992 558215472 /nfs/dbraw/zinc/21/54/72/558215472.db2.gz OYIGWIRGGGRCMX-UHFFFAOYSA-N 1 2 365.393 2.146 20 30 FEEDLO C[N@@H+]1CCN(CC(=O)N[C@](C)(C#N)C2CC2)C[C@H]1c1ccccc1Cl ZINC000377526758 558357483 /nfs/dbraw/zinc/35/74/83/558357483.db2.gz XHUUZMOQPUMUIE-PKOBYXMFSA-N 1 2 360.889 2.437 20 30 FEEDLO C[N@H+]1CCN(CC(=O)N[C@](C)(C#N)C2CC2)C[C@H]1c1ccccc1Cl ZINC000377526758 558357485 /nfs/dbraw/zinc/35/74/85/558357485.db2.gz XHUUZMOQPUMUIE-PKOBYXMFSA-N 1 2 360.889 2.437 20 30 FEEDLO CC(C)n1cc(C[N@@H+]2CCCN(C(=O)c3ccc(C#N)nc3)CC2)cn1 ZINC000377738669 558408836 /nfs/dbraw/zinc/40/88/36/558408836.db2.gz HUCXLWFTAVODOQ-UHFFFAOYSA-N 1 2 352.442 2.079 20 30 FEEDLO CC(C)n1cc(C[N@H+]2CCCN(C(=O)c3ccc(C#N)nc3)CC2)cn1 ZINC000377738669 558408841 /nfs/dbraw/zinc/40/88/41/558408841.db2.gz HUCXLWFTAVODOQ-UHFFFAOYSA-N 1 2 352.442 2.079 20 30 FEEDLO CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000409554942 558702794 /nfs/dbraw/zinc/70/27/94/558702794.db2.gz RAOGOBJEVNNCOB-CJNGLKHVSA-N 1 2 372.922 2.259 20 30 FEEDLO CCN(C[C@H](C)C#N)S(=O)(=O)NCCCn1c(C)[nH+]c2ccccc21 ZINC000409554811 558703039 /nfs/dbraw/zinc/70/30/39/558703039.db2.gz LZJMODBBQZKBPG-CQSZACIVSA-N 1 2 363.487 2.051 20 30 FEEDLO Cc1cc(NC(=O)[C@@H](C)n2cnc(C#N)n2)c[nH+]c1N1CCCC[C@H]1C ZINC000409912527 558727107 /nfs/dbraw/zinc/72/71/07/558727107.db2.gz QEHRTHGTEXLIDP-ZIAGYGMSSA-N 1 2 353.430 2.432 20 30 FEEDLO C=CC[C@@H]1N(C(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)CCCC1(C)C ZINC000411004819 558831181 /nfs/dbraw/zinc/83/11/81/558831181.db2.gz SFSIWHSTURJJSR-KRWDZBQOSA-N 1 2 370.497 2.324 20 30 FEEDLO C[C@@H](C(=O)OC(C)(C)C)[N@H+](C[C@@H](O)COc1ccc(C#N)cc1)C1CC1 ZINC000411911508 558986677 /nfs/dbraw/zinc/98/66/77/558986677.db2.gz HJLUWMDPQXMBPU-WMLDXEAASA-N 1 2 360.454 2.493 20 30 FEEDLO C[C@@H](C(=O)OC(C)(C)C)[N@@H+](C[C@@H](O)COc1ccc(C#N)cc1)C1CC1 ZINC000411911508 558986678 /nfs/dbraw/zinc/98/66/78/558986678.db2.gz HJLUWMDPQXMBPU-WMLDXEAASA-N 1 2 360.454 2.493 20 30 FEEDLO C[C@H]([NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1csnn1 ZINC000412038411 559005315 /nfs/dbraw/zinc/00/53/15/559005315.db2.gz KTALULLYLBDKJL-NSHDSACASA-N 1 2 368.384 2.375 20 30 FEEDLO C[C@@H]([NH2+][C@@H](C)C(=O)NC1(C#N)CCC1)c1nc(-c2cccc(F)c2)no1 ZINC000526057749 562265399 /nfs/dbraw/zinc/26/53/99/562265399.db2.gz VQKOAJXCTXXVJB-NWDGAFQWSA-N 1 2 357.389 2.477 20 30 FEEDLO C[C@H](C(=O)OC(C)(C)C)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000413041624 559071850 /nfs/dbraw/zinc/07/18/50/559071850.db2.gz BHPSWSGHUXJDTN-HNNXBMFYSA-N 1 2 357.454 2.180 20 30 FEEDLO C=CCCn1cc(C(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)nn1 ZINC000424529413 559668505 /nfs/dbraw/zinc/66/85/05/559668505.db2.gz GAKVKWBYJLJKLD-YFHOEESVSA-N 1 2 351.454 2.325 20 30 FEEDLO C[C@H]1CCC[N@H+](CC(=O)N(CCC#N)CCC#N)[C@H]1C(=O)OC(C)(C)C ZINC000425524648 559707721 /nfs/dbraw/zinc/70/77/21/559707721.db2.gz RJPIILJJVJGKIQ-DOTOQJQBSA-N 1 2 362.474 2.085 20 30 FEEDLO C[C@H]1CCC[N@@H+](CC(=O)N(CCC#N)CCC#N)[C@H]1C(=O)OC(C)(C)C ZINC000425524648 559707722 /nfs/dbraw/zinc/70/77/22/559707722.db2.gz RJPIILJJVJGKIQ-DOTOQJQBSA-N 1 2 362.474 2.085 20 30 FEEDLO N#Cc1cccc(-c2nnc(C[NH+]3CCC(NC(=O)C4CC4)CC3)o2)c1 ZINC000426454104 559734661 /nfs/dbraw/zinc/73/46/61/559734661.db2.gz MIMVMWCYMICINP-UHFFFAOYSA-N 1 2 351.410 2.099 20 30 FEEDLO Cc1oc2nc(C[N@@H+]3CC[C@@H](Oc4ccc(C#N)cn4)C3)nc(N)c2c1C ZINC000428796049 559783580 /nfs/dbraw/zinc/78/35/80/559783580.db2.gz ZXVGKDQEESHRFL-CQSZACIVSA-N 1 2 364.409 2.342 20 30 FEEDLO Cc1oc2nc(C[N@H+]3CC[C@@H](Oc4ccc(C#N)cn4)C3)nc(N)c2c1C ZINC000428796049 559783581 /nfs/dbraw/zinc/78/35/81/559783581.db2.gz ZXVGKDQEESHRFL-CQSZACIVSA-N 1 2 364.409 2.342 20 30 FEEDLO C[C@@](C#N)(NC(=O)C[N@H+](CCc1ccccn1)Cc1cccnc1)C1CC1 ZINC000430336560 559817992 /nfs/dbraw/zinc/81/79/92/559817992.db2.gz JVKWWMRNGXSDLE-NRFANRHFSA-N 1 2 363.465 2.330 20 30 FEEDLO C[C@@](C#N)(NC(=O)C[N@@H+](CCc1ccccn1)Cc1cccnc1)C1CC1 ZINC000430336560 559817993 /nfs/dbraw/zinc/81/79/93/559817993.db2.gz JVKWWMRNGXSDLE-NRFANRHFSA-N 1 2 363.465 2.330 20 30 FEEDLO C[C@@H]([NH2+]CC(=O)Nc1cccc(C#N)c1)c1ncc(Br)cn1 ZINC000432996256 559869642 /nfs/dbraw/zinc/86/96/42/559869642.db2.gz ZIULMBVIAPOGBH-SNVBAGLBSA-N 1 2 360.215 2.400 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)CN(C)[C@H](C)C[NH+]2CCOCC2)c1 ZINC000434698246 559906227 /nfs/dbraw/zinc/90/62/27/559906227.db2.gz DIMUMBMUDCRWCP-LJQANCHMSA-N 1 2 372.513 2.203 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)NCc2cc[nH+]c(N3CCCCC3)c2)s1 ZINC000435431472 559922835 /nfs/dbraw/zinc/92/28/35/559922835.db2.gz DLEGMUGUMCKGRJ-UHFFFAOYSA-N 1 2 362.480 2.484 20 30 FEEDLO C=C(C)CS(=O)(=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000435442380 559923238 /nfs/dbraw/zinc/92/32/38/559923238.db2.gz ICRZYNTZTYTAHR-UHFFFAOYSA-N 1 2 358.891 2.242 20 30 FEEDLO Cc1cccn2cc(C[S@](=O)CC(=O)NCc3ccc(C#N)cc3)[nH+]c12 ZINC000437164071 559961158 /nfs/dbraw/zinc/96/11/58/559961158.db2.gz AENQKRNUBILZKK-SANMLTNESA-N 1 2 366.446 2.080 20 30 FEEDLO C=C(C)[C@H](CC(=O)N1CC[C@](C)([NH2+]CC(=O)OC(C)(C)C)C1)OCC ZINC000442842585 560059337 /nfs/dbraw/zinc/05/93/37/560059337.db2.gz BWXXTTPXUVMPAY-KXBFYZLASA-N 1 2 354.491 2.280 20 30 FEEDLO C=CC[C@H](CO)CNC(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000443547531 560086928 /nfs/dbraw/zinc/08/69/28/560086928.db2.gz AYENMZWFPPWTTF-AWEZNQCLSA-N 1 2 351.878 2.182 20 30 FEEDLO C=CC[C@H](CO)CNC(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000443547531 560086930 /nfs/dbraw/zinc/08/69/30/560086930.db2.gz AYENMZWFPPWTTF-AWEZNQCLSA-N 1 2 351.878 2.182 20 30 FEEDLO Cc1cc(NS(=O)(=O)c2ccc(C#N)c(C)c2)n(C2CC[NH+](C)CC2)n1 ZINC000446787489 560151723 /nfs/dbraw/zinc/15/17/23/560151723.db2.gz RRUOFXKIQXVSMW-UHFFFAOYSA-N 1 2 373.482 2.439 20 30 FEEDLO C[C@H](c1nc(-c2ccccc2)no1)[NH+]1CCN(c2nccc(C#N)n2)CC1 ZINC000450240625 560255254 /nfs/dbraw/zinc/25/52/54/560255254.db2.gz IOWITPMEYLISLG-CQSZACIVSA-N 1 2 361.409 2.281 20 30 FEEDLO Cc1[nH]c(C#N)cc1C(=O)N1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000450884054 560276614 /nfs/dbraw/zinc/27/66/14/560276614.db2.gz RCJCBALNEUXKNL-MRXNPFEDSA-N 1 2 365.437 2.484 20 30 FEEDLO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000450911305 560278114 /nfs/dbraw/zinc/27/81/14/560278114.db2.gz WQZDNRMRBRDJJT-HOTGVXAUSA-N 1 2 359.426 2.123 20 30 FEEDLO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000450911305 560278115 /nfs/dbraw/zinc/27/81/15/560278115.db2.gz WQZDNRMRBRDJJT-HOTGVXAUSA-N 1 2 359.426 2.123 20 30 FEEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000450911306 560278208 /nfs/dbraw/zinc/27/82/08/560278208.db2.gz WQZDNRMRBRDJJT-HZPDHXFCSA-N 1 2 359.426 2.123 20 30 FEEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000450911306 560278209 /nfs/dbraw/zinc/27/82/09/560278209.db2.gz WQZDNRMRBRDJJT-HZPDHXFCSA-N 1 2 359.426 2.123 20 30 FEEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1CC[C@@](O)(C(F)F)C1 ZINC000451430256 560306588 /nfs/dbraw/zinc/30/65/88/560306588.db2.gz MDLLRPMLTNCJAB-ACJLOTCBSA-N 1 2 367.396 2.032 20 30 FEEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+]1CC[C@@](O)(C(F)F)C1 ZINC000451430256 560306589 /nfs/dbraw/zinc/30/65/89/560306589.db2.gz MDLLRPMLTNCJAB-ACJLOTCBSA-N 1 2 367.396 2.032 20 30 FEEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](c2cccc(Br)c2)C1 ZINC000451568193 560315207 /nfs/dbraw/zinc/31/52/07/560315207.db2.gz MRIFSDLYNUWTFD-ZDUSSCGKSA-N 1 2 366.259 2.250 20 30 FEEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](c2cccc(Br)c2)C1 ZINC000451568193 560315208 /nfs/dbraw/zinc/31/52/08/560315208.db2.gz MRIFSDLYNUWTFD-ZDUSSCGKSA-N 1 2 366.259 2.250 20 30 FEEDLO Cc1[nH]c(C#N)cc1C(=O)N(C)C[C@@H]1OCC[N@H+](C)[C@H]1c1ccccc1 ZINC000451624191 560317819 /nfs/dbraw/zinc/31/78/19/560317819.db2.gz PGZQCXZWIJCFIS-OALUTQOASA-N 1 2 352.438 2.339 20 30 FEEDLO Cc1[nH]c(C#N)cc1C(=O)N(C)C[C@@H]1OCC[N@@H+](C)[C@H]1c1ccccc1 ZINC000451624191 560317820 /nfs/dbraw/zinc/31/78/20/560317820.db2.gz PGZQCXZWIJCFIS-OALUTQOASA-N 1 2 352.438 2.339 20 30 FEEDLO COc1ccc(N2CC[NH+]([C@H](C)C(=O)Nc3cccc(C#N)c3)CC2)nc1 ZINC000452060648 560348788 /nfs/dbraw/zinc/34/87/88/560348788.db2.gz RMYJHFOOBRRMNQ-OAHLLOKOSA-N 1 2 365.437 2.111 20 30 FEEDLO CC(C)(C)c1cc(C#N)c(NC(=O)C(=O)N[C@@H]2CCn3cc[nH+]c3C2)s1 ZINC000453712400 560398850 /nfs/dbraw/zinc/39/88/50/560398850.db2.gz HZNYJBOMHRGOLB-GFCCVEGCSA-N 1 2 371.466 2.183 20 30 FEEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)N1CCN(c2ccccc2C#N)CC1 ZINC000455454286 560482884 /nfs/dbraw/zinc/48/28/84/560482884.db2.gz CAVSRJOZXIUSSX-OAHLLOKOSA-N 1 2 352.442 2.367 20 30 FEEDLO C[N@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)Nc2cnc(C#N)c(Cl)c2)C1 ZINC000455766859 560494381 /nfs/dbraw/zinc/49/43/81/560494381.db2.gz UMIYZTQRKJLEPA-CYBMUJFWSA-N 1 2 371.832 2.135 20 30 FEEDLO C[N@@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)Nc2cnc(C#N)c(Cl)c2)C1 ZINC000455766859 560494382 /nfs/dbraw/zinc/49/43/82/560494382.db2.gz UMIYZTQRKJLEPA-CYBMUJFWSA-N 1 2 371.832 2.135 20 30 FEEDLO C=CC[C@@H](CO)CNC(=O)Nc1cc(N(C)C)c(Br)c[nH+]1 ZINC000455863162 560498072 /nfs/dbraw/zinc/49/80/72/560498072.db2.gz IZNXIIMYOPHJOC-SNVBAGLBSA-N 1 2 357.252 2.216 20 30 FEEDLO Cn1cc[nH+]c1[C@H]1CN(C(=O)C(C)(C)Cc2ccc(C#N)cc2)CCN1C ZINC000456026086 560504899 /nfs/dbraw/zinc/50/48/99/560504899.db2.gz QLUZRJZTLQVCOR-GOSISDBHSA-N 1 2 365.481 2.376 20 30 FEEDLO CO[C@H]1C[C@H](NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C12CCC2 ZINC000459300436 560678391 /nfs/dbraw/zinc/67/83/91/560678391.db2.gz KDCSQSBDCQFHLK-OALUTQOASA-N 1 2 368.481 2.343 20 30 FEEDLO CCOC(=O)c1noc(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)n1 ZINC000459340108 560680838 /nfs/dbraw/zinc/68/08/38/560680838.db2.gz OXKQJZKMKFKBMF-UHFFFAOYSA-N 1 2 356.382 2.161 20 30 FEEDLO CN(C)c1noc([C@@H]2CCC[N@H+](Cc3c(C#N)cccc3[N+](=O)[O-])C2)n1 ZINC000459429849 560686049 /nfs/dbraw/zinc/68/60/49/560686049.db2.gz CVTHNYCLUITCSN-CYBMUJFWSA-N 1 2 356.386 2.295 20 30 FEEDLO CN(C)c1noc([C@@H]2CCC[N@@H+](Cc3c(C#N)cccc3[N+](=O)[O-])C2)n1 ZINC000459429849 560686050 /nfs/dbraw/zinc/68/60/50/560686050.db2.gz CVTHNYCLUITCSN-CYBMUJFWSA-N 1 2 356.386 2.295 20 30 FEEDLO COc1cc(C#N)ccc1C[N@@H+]1CCN(C(=O)c2cscn2)[C@@H](C)C1 ZINC000459505448 560690568 /nfs/dbraw/zinc/69/05/68/560690568.db2.gz OLBAWZNELIKRTI-ZDUSSCGKSA-N 1 2 356.451 2.370 20 30 FEEDLO COc1cc(C#N)ccc1C[N@H+]1CCN(C(=O)c2cscn2)[C@@H](C)C1 ZINC000459505448 560690570 /nfs/dbraw/zinc/69/05/70/560690570.db2.gz OLBAWZNELIKRTI-ZDUSSCGKSA-N 1 2 356.451 2.370 20 30 FEEDLO COc1ccc(C#N)cc1C[N@@H+]1CCN(C(=O)c2cscn2)[C@@H](C)C1 ZINC000459511987 560691098 /nfs/dbraw/zinc/69/10/98/560691098.db2.gz ZAABEXFRCOPHBX-ZDUSSCGKSA-N 1 2 356.451 2.370 20 30 FEEDLO COc1ccc(C#N)cc1C[N@H+]1CCN(C(=O)c2cscn2)[C@@H](C)C1 ZINC000459511987 560691100 /nfs/dbraw/zinc/69/11/00/560691100.db2.gz ZAABEXFRCOPHBX-ZDUSSCGKSA-N 1 2 356.451 2.370 20 30 FEEDLO COc1ccc(C[NH+]2CCN(C(=O)N[C@H]3CCC[C@@H]3C#N)CC2)cc1F ZINC000461963186 560789846 /nfs/dbraw/zinc/78/98/46/560789846.db2.gz YVDIPFXBIQFKLG-WBVHZDCISA-N 1 2 360.433 2.354 20 30 FEEDLO COc1cc(C#N)ccc1S(=O)(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000464416713 560841034 /nfs/dbraw/zinc/84/10/34/560841034.db2.gz DLPSNYDIHMYPPG-UHFFFAOYSA-N 1 2 356.407 2.002 20 30 FEEDLO COC(=O)[C@@H]1C[C@@H](C2CCCCC2)C[N@@H+]1CC(=O)N[C@](C)(C#N)C(C)C ZINC000464817568 560852035 /nfs/dbraw/zinc/85/20/35/560852035.db2.gz HCFKZNOZEYUIIR-FUHIMQAGSA-N 1 2 363.502 2.485 20 30 FEEDLO COC(=O)[C@@H]1C[C@@H](C2CCCCC2)C[N@H+]1CC(=O)N[C@](C)(C#N)C(C)C ZINC000464817568 560852036 /nfs/dbraw/zinc/85/20/36/560852036.db2.gz HCFKZNOZEYUIIR-FUHIMQAGSA-N 1 2 363.502 2.485 20 30 FEEDLO N#C[C@@H](CCc1ccccc1)C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000469523005 560957169 /nfs/dbraw/zinc/95/71/69/560957169.db2.gz BRYMYWJBKLVIRY-LJQANCHMSA-N 1 2 364.449 2.307 20 30 FEEDLO N#Cc1ccc(Cl)c(NC(=O)C(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000469545418 560957697 /nfs/dbraw/zinc/95/76/97/560957697.db2.gz SRUXGDKGXDXOLV-AWEZNQCLSA-N 1 2 370.796 2.225 20 30 FEEDLO CC[C@@H]1C[N@H+](CC(=O)N(C)C2(C#N)CCCCC2)[C@H](CC)CN1C(C)=O ZINC000472352793 561024897 /nfs/dbraw/zinc/02/48/97/561024897.db2.gz VKVSZRAHKAWARG-QZTJIDSGSA-N 1 2 362.518 2.393 20 30 FEEDLO CC[C@@H]1C[N@@H+](CC(=O)N(C)C2(C#N)CCCCC2)[C@H](CC)CN1C(C)=O ZINC000472352793 561024898 /nfs/dbraw/zinc/02/48/98/561024898.db2.gz VKVSZRAHKAWARG-QZTJIDSGSA-N 1 2 362.518 2.393 20 30 FEEDLO N#Cc1ccccc1OC[C@@H](O)C[NH+]1CCN(Cc2cccs2)CC1 ZINC000528350645 562324122 /nfs/dbraw/zinc/32/41/22/562324122.db2.gz RHQHTGUVFORXOV-KRWDZBQOSA-N 1 2 357.479 2.177 20 30 FEEDLO N#Cc1ccccc1OC[C@H](O)C[NH+]1CCN(c2cc(F)ccc2F)CC1 ZINC000528393527 562326760 /nfs/dbraw/zinc/32/67/60/562326760.db2.gz GCZFMSWXNVTCRL-QGZVFWFLSA-N 1 2 373.403 2.398 20 30 FEEDLO COc1cccc([C@H]2C[N@H+](C[C@@H](O)COc3ccccc3C#N)CCO2)c1 ZINC000528405533 562327279 /nfs/dbraw/zinc/32/72/79/562327279.db2.gz LOCAOHHDBTWDQJ-WIYYLYMNSA-N 1 2 368.433 2.380 20 30 FEEDLO COc1cccc([C@H]2C[N@@H+](C[C@@H](O)COc3ccccc3C#N)CCO2)c1 ZINC000528405533 562327280 /nfs/dbraw/zinc/32/72/80/562327280.db2.gz LOCAOHHDBTWDQJ-WIYYLYMNSA-N 1 2 368.433 2.380 20 30 FEEDLO C[C@@](C#N)(NC(=O)C[NH+]1CCN(c2cccc3[nH]ccc32)CC1)C1CC1 ZINC000528763513 562346475 /nfs/dbraw/zinc/34/64/75/562346475.db2.gz SFVSBXMODVPEGY-FQEVSTJZSA-N 1 2 351.454 2.098 20 30 FEEDLO C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CCN(c2cccc3[nH]ccc32)CC1 ZINC000528765653 562346497 /nfs/dbraw/zinc/34/64/97/562346497.db2.gz VETKMCJMTUUTMD-OAHLLOKOSA-N 1 2 351.454 2.241 20 30 FEEDLO C=CCn1cc(CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)nn1 ZINC000529501385 562375528 /nfs/dbraw/zinc/37/55/28/562375528.db2.gz FTSWHBYVCVUKON-KRWDZBQOSA-N 1 2 359.861 2.398 20 30 FEEDLO C=CCn1cc(CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)nn1 ZINC000529501385 562375529 /nfs/dbraw/zinc/37/55/29/562375529.db2.gz FTSWHBYVCVUKON-KRWDZBQOSA-N 1 2 359.861 2.398 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cc2c(c(Cl)c1)OCO2 ZINC000530665419 562419909 /nfs/dbraw/zinc/41/99/09/562419909.db2.gz ZCLYAZMUBYNMED-UHFFFAOYSA-N 1 2 351.834 2.117 20 30 FEEDLO N#Cc1ccc([C@@H](C(N)=O)[NH+]2CCC(NC(=O)c3ccsc3)CC2)cc1 ZINC000532487022 562479280 /nfs/dbraw/zinc/47/92/80/562479280.db2.gz XBKOTQRLMWTIMZ-KRWDZBQOSA-N 1 2 368.462 2.041 20 30 FEEDLO N#Cc1cccc(C[N@@H+]2CCO[C@@H](CN3C(=O)c4ccccc4C3=O)C2)c1 ZINC000533536709 562511922 /nfs/dbraw/zinc/51/19/22/562511922.db2.gz DGVVOSGEUDQVQO-QGZVFWFLSA-N 1 2 361.401 2.055 20 30 FEEDLO N#Cc1cccc(C[N@H+]2CCO[C@@H](CN3C(=O)c4ccccc4C3=O)C2)c1 ZINC000533536709 562511923 /nfs/dbraw/zinc/51/19/23/562511923.db2.gz DGVVOSGEUDQVQO-QGZVFWFLSA-N 1 2 361.401 2.055 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cccc(-n4ccnn4)c3)CC2)cc1 ZINC000535969659 562571378 /nfs/dbraw/zinc/57/13/78/562571378.db2.gz QRXUEDQYGRZFFB-UHFFFAOYSA-N 1 2 372.432 2.097 20 30 FEEDLO Cc1ccc(C#N)cc1S(=O)(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000536969957 562583404 /nfs/dbraw/zinc/58/34/04/562583404.db2.gz JNSYIMPBRQSEJB-UHFFFAOYSA-N 1 2 358.345 2.104 20 30 FEEDLO C=C(C)Cn1c(-c2cc(C)oc2C)nnc1N(C)CC[NH+]1CCOCC1 ZINC000549734883 562638809 /nfs/dbraw/zinc/63/88/09/562638809.db2.gz YWSZFRTZIHNOBF-UHFFFAOYSA-N 1 2 359.474 2.499 20 30 FEEDLO N#Cc1ccsc1NC(=O)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000555939030 674382019 /nfs/dbraw/zinc/38/20/19/674382019.db2.gz YYIJFVZTIDHXOJ-UHFFFAOYSA-N 1 2 351.391 2.060 20 30 FEEDLO CN(C(=O)c1ccc(NCC[NH+]2CCOCC2)c(F)c1)[C@@H]1CCC[C@H]1C#N ZINC000601803907 567851052 /nfs/dbraw/zinc/85/10/52/567851052.db2.gz IMPXZXYQAMPYDC-QFBILLFUSA-N 1 2 374.460 2.334 20 30 FEEDLO N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000602042879 567910440 /nfs/dbraw/zinc/91/04/40/567910440.db2.gz OKVMULHZRDISQT-JFIYKMOQSA-N 1 2 353.401 2.061 20 30 FEEDLO N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000602042879 567910442 /nfs/dbraw/zinc/91/04/42/567910442.db2.gz OKVMULHZRDISQT-JFIYKMOQSA-N 1 2 353.401 2.061 20 30 FEEDLO CCN(Cc1ccc2c(c1)OCCO2)C(=O)C[N@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602975366 568035891 /nfs/dbraw/zinc/03/58/91/568035891.db2.gz ABAXIMIMIRKMSP-SJORKVTESA-N 1 2 357.454 2.430 20 30 FEEDLO CCN(Cc1ccc2c(c1)OCCO2)C(=O)C[N@@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602975366 568035893 /nfs/dbraw/zinc/03/58/93/568035893.db2.gz ABAXIMIMIRKMSP-SJORKVTESA-N 1 2 357.454 2.430 20 30 FEEDLO CC(C)CCNC(=O)C1CCN(C(=O)C[N@H+](C)[C@H]2CCC[C@H]2C#N)CC1 ZINC000602977544 568036262 /nfs/dbraw/zinc/03/62/62/568036262.db2.gz COAZUSPKCRIFQQ-ROUUACIJSA-N 1 2 362.518 2.011 20 30 FEEDLO CC(C)CCNC(=O)C1CCN(C(=O)C[N@@H+](C)[C@H]2CCC[C@H]2C#N)CC1 ZINC000602977544 568036263 /nfs/dbraw/zinc/03/62/63/568036263.db2.gz COAZUSPKCRIFQQ-ROUUACIJSA-N 1 2 362.518 2.011 20 30 FEEDLO C[N@H+](CC(=O)N1CCC(NC(=O)c2ccccc2)CC1)[C@@H]1CCC[C@@H]1C#N ZINC000602980406 568036992 /nfs/dbraw/zinc/03/69/92/568036992.db2.gz PUOKMPDHJBDUKJ-IEBWSBKVSA-N 1 2 368.481 2.031 20 30 FEEDLO C[N@@H+](CC(=O)N1CCC(NC(=O)c2ccccc2)CC1)[C@@H]1CCC[C@@H]1C#N ZINC000602980406 568036993 /nfs/dbraw/zinc/03/69/93/568036993.db2.gz PUOKMPDHJBDUKJ-IEBWSBKVSA-N 1 2 368.481 2.031 20 30 FEEDLO C=CCSCCNC(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000604488230 568302703 /nfs/dbraw/zinc/30/27/03/568302703.db2.gz BDTCNEXBSZHALM-UHFFFAOYSA-N 1 2 362.499 2.115 20 30 FEEDLO CCOCc1ccc(CNC(=O)C[NH+]2CCN([C@H](C#N)C(C)C)CC2)cc1 ZINC000609485537 568346076 /nfs/dbraw/zinc/34/60/76/568346076.db2.gz RYOFWAFDHHEBNU-HXUWFJFHSA-N 1 2 372.513 2.005 20 30 FEEDLO NC(=[NH+]OCCOc1ccc(-c2nn[nH]n2)cc1)c1ccc(Cl)cc1 ZINC000737732117 598472222 /nfs/dbraw/zinc/47/22/22/598472222.db2.gz WBBTVCLCHQSKPO-UHFFFAOYSA-N 1 2 358.789 2.236 20 30 FEEDLO N#CCc1ccc(CN2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000826382703 609516705 /nfs/dbraw/zinc/51/67/05/609516705.db2.gz REJGNIQMZDCIAT-UHFFFAOYSA-N 1 2 373.464 2.251 20 30 FEEDLO N#CCc1ccc(C[NH+]2CCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000826382703 609516706 /nfs/dbraw/zinc/51/67/06/609516706.db2.gz REJGNIQMZDCIAT-UHFFFAOYSA-N 1 2 373.464 2.251 20 30 FEEDLO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@@H](C)C#N ZINC000564776346 675060727 /nfs/dbraw/zinc/06/07/27/675060727.db2.gz VJYLCIAUOPIAFG-WDEREUQCSA-N 1 2 354.248 2.212 20 30 FEEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000570582316 670735799 /nfs/dbraw/zinc/73/57/99/670735799.db2.gz SXNZNJVPDVVBMI-ZDUSSCGKSA-N 1 2 357.845 2.462 20 30 FEEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000570582316 670735803 /nfs/dbraw/zinc/73/58/03/670735803.db2.gz SXNZNJVPDVVBMI-ZDUSSCGKSA-N 1 2 357.845 2.462 20 30 FEEDLO C=C(Br)CNC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000114787072 670893780 /nfs/dbraw/zinc/89/37/80/670893780.db2.gz RTEOOBHCXHYHJI-CYBMUJFWSA-N 1 2 353.264 2.378 20 30 FEEDLO C#CCN1CCN(C(=O)C[N@@H+](C)[C@H](C)c2sc(C(C)C)nc2C)CC1 ZINC000121079058 671941981 /nfs/dbraw/zinc/94/19/81/671941981.db2.gz MDYLMVJZKPGNJA-MRXNPFEDSA-N 1 2 362.543 2.345 20 30 FEEDLO C#CCN1CCN(C(=O)C[N@H+](C)[C@H](C)c2sc(C(C)C)nc2C)CC1 ZINC000121079058 671941987 /nfs/dbraw/zinc/94/19/87/671941987.db2.gz MDYLMVJZKPGNJA-MRXNPFEDSA-N 1 2 362.543 2.345 20 30 FEEDLO NC(Cc1cccnc1)=[NH+]OCC(=O)Nc1ccc(Br)cc1 ZINC000137656156 672142829 /nfs/dbraw/zinc/14/28/29/672142829.db2.gz UUKOYTVSYXKEEI-UHFFFAOYSA-N 1 2 363.215 2.314 20 30 FEEDLO C[N@@H+](Cc1ccc(C#N)cc1)Cn1cc(I)cn1 ZINC000151394350 672161640 /nfs/dbraw/zinc/16/16/40/672161640.db2.gz QQDMGALUMLRKKV-UHFFFAOYSA-N 1 2 352.179 2.449 20 30 FEEDLO C[N@H+](Cc1ccc(C#N)cc1)Cn1cc(I)cn1 ZINC000151394350 672161641 /nfs/dbraw/zinc/16/16/41/672161641.db2.gz QQDMGALUMLRKKV-UHFFFAOYSA-N 1 2 352.179 2.449 20 30 FEEDLO C=CCn1c(CC(F)(F)F)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000584469485 672191379 /nfs/dbraw/zinc/19/13/79/672191379.db2.gz HYYLWSBAFSZPPD-UHFFFAOYSA-N 1 2 352.364 2.291 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000174240571 672359107 /nfs/dbraw/zinc/35/91/07/672359107.db2.gz NDNGPYZYRYDMOM-RDTXWAMCSA-N 1 2 352.479 2.030 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000174240571 672359109 /nfs/dbraw/zinc/35/91/09/672359109.db2.gz NDNGPYZYRYDMOM-RDTXWAMCSA-N 1 2 352.479 2.030 20 30 FEEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1cccc2c1CN(c1nccs1)C2 ZINC000591774513 672710289 /nfs/dbraw/zinc/71/02/89/672710289.db2.gz XWBIHXPPTWGUDY-HNNXBMFYSA-N 1 2 357.483 2.282 20 30 FEEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1cccc2c1CN(c1nccs1)C2 ZINC000591774513 672710293 /nfs/dbraw/zinc/71/02/93/672710293.db2.gz XWBIHXPPTWGUDY-HNNXBMFYSA-N 1 2 357.483 2.282 20 30 FEEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CCC[C@H](c3ccncn3)C2)C1=O ZINC000370235048 673149404 /nfs/dbraw/zinc/14/94/04/673149404.db2.gz CJSXWVKFHIHBSL-HOCLYGCPSA-N 1 2 353.451 2.395 20 30 FEEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CCC[C@H](c3ccncn3)C2)C1=O ZINC000370235048 673149406 /nfs/dbraw/zinc/14/94/06/673149406.db2.gz CJSXWVKFHIHBSL-HOCLYGCPSA-N 1 2 353.451 2.395 20 30 FEEDLO N#CCc1cccc(S(=O)(=O)NC[C@@H]2CC[N@@H+]2Cc2ccccc2)c1 ZINC000595394436 673241699 /nfs/dbraw/zinc/24/16/99/673241699.db2.gz XOISDGGDMZYXGR-SFHVURJKSA-N 1 2 355.463 2.305 20 30 FEEDLO N#CCc1cccc(S(=O)(=O)NC[C@@H]2CC[N@H+]2Cc2ccccc2)c1 ZINC000595394436 673241703 /nfs/dbraw/zinc/24/17/03/673241703.db2.gz XOISDGGDMZYXGR-SFHVURJKSA-N 1 2 355.463 2.305 20 30 FEEDLO CC(=O)Nc1ccc(S(=O)(=O)CCC[N@@H+]2CCC[C@@H](CC#N)C2)cc1 ZINC000595614671 673273747 /nfs/dbraw/zinc/27/37/47/673273747.db2.gz MHYBOQJHHOPHLJ-INIZCTEOSA-N 1 2 363.483 2.434 20 30 FEEDLO CC(=O)Nc1ccc(S(=O)(=O)CCC[N@H+]2CCC[C@@H](CC#N)C2)cc1 ZINC000595614671 673273749 /nfs/dbraw/zinc/27/37/49/673273749.db2.gz MHYBOQJHHOPHLJ-INIZCTEOSA-N 1 2 363.483 2.434 20 30 FEEDLO C[C@H]([NH2+][C@H](CO)c1ccc(F)cc1F)C(=O)NC1(C#N)CCCCC1 ZINC000595865593 673332117 /nfs/dbraw/zinc/33/21/17/673332117.db2.gz BPDBSHHNSCHJPM-BLLLJJGKSA-N 1 2 351.397 2.319 20 30 FEEDLO C[N@H+](CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)Cc1ccoc1 ZINC000540512473 673544433 /nfs/dbraw/zinc/54/44/33/673544433.db2.gz KMYLHKOUWLYPKU-MRXNPFEDSA-N 1 2 358.467 2.182 20 30 FEEDLO C[N@@H+](CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)Cc1ccoc1 ZINC000540512473 673544437 /nfs/dbraw/zinc/54/44/37/673544437.db2.gz KMYLHKOUWLYPKU-MRXNPFEDSA-N 1 2 358.467 2.182 20 30 FEEDLO N#Cc1ccc(CN2CC[N@H+](Cc3ccc(C#N)s3)CC(O)C2)s1 ZINC000567401912 675290647 /nfs/dbraw/zinc/29/06/47/675290647.db2.gz ANHYWLWEXMYCHG-UHFFFAOYSA-N 1 2 358.492 2.232 20 30 FEEDLO N#Cc1ccc(CN2CC[N@@H+](Cc3ccc(C#N)s3)CC(O)C2)s1 ZINC000567401912 675290652 /nfs/dbraw/zinc/29/06/52/675290652.db2.gz ANHYWLWEXMYCHG-UHFFFAOYSA-N 1 2 358.492 2.232 20 30 FEEDLO CC(C)n1c[nH+]cc1CN=Nc1ccc(S(=O)(=O)NC(C)(C)C)cn1 ZINC000819806708 675316161 /nfs/dbraw/zinc/31/61/61/675316161.db2.gz YFSLPNLCIVSFSK-UHFFFAOYSA-N 1 2 364.475 2.382 20 30 FEEDLO Cc1ccc(I)cc1NC[C@H](O)C[N@H+](C)CCC#N ZINC000567727304 675316429 /nfs/dbraw/zinc/31/64/29/675316429.db2.gz JWIHFDVKOYBCLQ-ZDUSSCGKSA-N 1 2 373.238 2.218 20 30 FEEDLO Cc1ccc(I)cc1NC[C@H](O)C[N@@H+](C)CCC#N ZINC000567727304 675316430 /nfs/dbraw/zinc/31/64/30/675316430.db2.gz JWIHFDVKOYBCLQ-ZDUSSCGKSA-N 1 2 373.238 2.218 20 30 FEEDLO N#CCc1ccccc1S(=O)(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000619572423 676385696 /nfs/dbraw/zinc/38/56/96/676385696.db2.gz CALVAGPBWYLWHY-UHFFFAOYSA-N 1 2 352.419 2.417 20 30 FEEDLO CC#CC[NH2+]Cc1cn(CC(=O)Nc2ccccc2C(F)(F)F)nn1 ZINC000640771502 677188270 /nfs/dbraw/zinc/18/82/70/677188270.db2.gz YHMDVTJPKDAZEI-UHFFFAOYSA-N 1 2 351.332 2.049 20 30 FEEDLO CC#CC[NH2+]Cc1cn([C@@H](C)c2nc3sc(C)c(C)c3c(N)n2)nn1 ZINC000640900496 677191346 /nfs/dbraw/zinc/19/13/46/677191346.db2.gz PZJPEQMBCKZGTB-NSHDSACASA-N 1 2 355.471 2.204 20 30 FEEDLO C=CC[C@@H]1CCC[N@H+](CC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)C1 ZINC000661377800 678472685 /nfs/dbraw/zinc/47/26/85/678472685.db2.gz VZIGKCJLAZTHIB-AEFFLSMTSA-N 1 2 368.543 2.233 20 30 FEEDLO C=CC[C@@H]1CCC[N@@H+](CC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)C1 ZINC000661377800 678472689 /nfs/dbraw/zinc/47/26/89/678472689.db2.gz VZIGKCJLAZTHIB-AEFFLSMTSA-N 1 2 368.543 2.233 20 30 FEEDLO C=CC[N@H+](CC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1)C(C)(C)C ZINC000661755684 678530093 /nfs/dbraw/zinc/53/00/93/678530093.db2.gz OLIBEEOAEPOHAG-INIZCTEOSA-N 1 2 356.532 2.231 20 30 FEEDLO C=CC[N@@H+](CC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1)C(C)(C)C ZINC000661755684 678530095 /nfs/dbraw/zinc/53/00/95/678530095.db2.gz OLIBEEOAEPOHAG-INIZCTEOSA-N 1 2 356.532 2.231 20 30 FEEDLO N#Cc1cccn(C[N@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)c1=O ZINC000840164692 680803612 /nfs/dbraw/zinc/80/36/12/680803612.db2.gz SZAXFGKHDALHKH-AWEZNQCLSA-N 1 2 355.360 2.358 20 30 FEEDLO N#Cc1cccn(C[N@@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)c1=O ZINC000840164692 680803615 /nfs/dbraw/zinc/80/36/15/680803615.db2.gz SZAXFGKHDALHKH-AWEZNQCLSA-N 1 2 355.360 2.358 20 30 FEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+](Cc2cnns2)C1 ZINC001023638019 680268162 /nfs/dbraw/zinc/26/81/62/680268162.db2.gz XEGICFYDBUADOW-PVAVHDDUSA-N 1 2 364.515 2.238 20 30 FEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+](Cc2cnns2)C1 ZINC001023638019 680268165 /nfs/dbraw/zinc/26/81/65/680268165.db2.gz XEGICFYDBUADOW-PVAVHDDUSA-N 1 2 364.515 2.238 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccc(F)cc2F)C1 ZINC001032047043 680412115 /nfs/dbraw/zinc/41/21/15/680412115.db2.gz MWTSYTXFJDUTDK-WMZOPIPTSA-N 1 2 350.409 2.494 20 30 FEEDLO C=C(Br)C[N@H+]1CC=C(CNC(=O)[C@@H]2CCO[C@H]2C2CC2)CC1 ZINC001000986111 680445350 /nfs/dbraw/zinc/44/53/50/680445350.db2.gz UHUWHXMMYBXJMO-CVEARBPZSA-N 1 2 369.303 2.458 20 30 FEEDLO C=C(Br)C[N@@H+]1CC=C(CNC(=O)[C@@H]2CCO[C@H]2C2CC2)CC1 ZINC001000986111 680445352 /nfs/dbraw/zinc/44/53/52/680445352.db2.gz UHUWHXMMYBXJMO-CVEARBPZSA-N 1 2 369.303 2.458 20 30 FEEDLO C=CC[NH+]1CCC(NC(=O)c2ccccc2S(=O)(=O)C(F)F)CC1 ZINC000841390214 680876773 /nfs/dbraw/zinc/87/67/73/680876773.db2.gz HSXIIAJGFDSOLV-UHFFFAOYSA-N 1 2 358.410 2.063 20 30 FEEDLO CN(C)c1ncc(C=[NH+]Nc2cc(CO)ccc2Br)n1C ZINC000841653804 680904765 /nfs/dbraw/zinc/90/47/65/680904765.db2.gz JUCKDYPRNCSGSO-UHFFFAOYSA-N 1 2 352.236 2.187 20 30 FEEDLO C#CC1CC[NH+](CN2C(=O)N[C@](C)(c3ccc(Cl)s3)C2=O)CC1 ZINC000842634288 680956068 /nfs/dbraw/zinc/95/60/68/680956068.db2.gz SAZVUPWXFZXMLW-MRXNPFEDSA-N 1 2 351.859 2.471 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1COCC[N@@H+]1CCCC1CCCC1 ZINC001051114181 681062674 /nfs/dbraw/zinc/06/26/74/681062674.db2.gz GLFMSHAKFFLRFS-QRVBRYPASA-N 1 2 350.503 2.365 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1COCC[N@H+]1CCCC1CCCC1 ZINC001051114181 681062677 /nfs/dbraw/zinc/06/26/77/681062677.db2.gz GLFMSHAKFFLRFS-QRVBRYPASA-N 1 2 350.503 2.365 20 30 FEEDLO Cc1ccc(S(=O)(=O)CCC[NH+]2CCC3(CC2)CC(=O)C=CO3)cc1 ZINC000933647913 681445777 /nfs/dbraw/zinc/44/57/77/681445777.db2.gz KIHHCKXFLKHLOM-UHFFFAOYSA-N 1 2 363.479 2.497 20 30 FEEDLO Cn1cc([C@H]2CSCCC[N@@H+]2CC(=O)NC2(C#N)CCCCC2)cn1 ZINC000933987318 681492781 /nfs/dbraw/zinc/49/27/81/681492781.db2.gz LLYBYCYTPONGHL-MRXNPFEDSA-N 1 2 361.515 2.243 20 30 FEEDLO Cn1cc([C@H]2CSCCC[N@H+]2CC(=O)NC2(C#N)CCCCC2)cn1 ZINC000933987318 681492785 /nfs/dbraw/zinc/49/27/85/681492785.db2.gz LLYBYCYTPONGHL-MRXNPFEDSA-N 1 2 361.515 2.243 20 30 FEEDLO CN(C)[S@@](C)(=O)=NCC1CC[NH+](Cc2cccc(F)c2C#N)CC1 ZINC000934752035 681621776 /nfs/dbraw/zinc/62/17/76/681621776.db2.gz MXLCTMBPUVNIJO-DEOSSOPVSA-N 1 2 352.479 2.484 20 30 FEEDLO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC000850588281 681919874 /nfs/dbraw/zinc/91/98/74/681919874.db2.gz ZFCDYFUHAVEVMX-GFCCVEGCSA-N 1 2 371.434 2.309 20 30 FEEDLO COc1cccc(NC(=S)N[NH+]=Cc2ccc(N(C)CCO)cc2)c1 ZINC000916298396 685523349 /nfs/dbraw/zinc/52/33/49/685523349.db2.gz JOICHKYPVPXXBI-UHFFFAOYSA-N 1 2 358.467 2.444 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)C1C[NH+](Cc2c(F)cccc2F)C1 ZINC000970446383 682298355 /nfs/dbraw/zinc/29/83/55/682298355.db2.gz DRAAMAXZTPGXRG-DFHBCGBQSA-N 1 2 350.409 2.492 20 30 FEEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CC=CC[C@H]3C(F)(F)F)C2)C1 ZINC000972434490 682414563 /nfs/dbraw/zinc/41/45/63/682414563.db2.gz HEQNDBYFFQGVCC-BFYDXBDKSA-N 1 2 356.388 2.068 20 30 FEEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CC=CC[C@H]3C(F)(F)F)C2)C1 ZINC000972434490 682414566 /nfs/dbraw/zinc/41/45/66/682414566.db2.gz HEQNDBYFFQGVCC-BFYDXBDKSA-N 1 2 356.388 2.068 20 30 FEEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCC[C@@H]3C(F)(F)F)C2)C1 ZINC000972434991 682414676 /nfs/dbraw/zinc/41/46/76/682414676.db2.gz KCNZDYVEUXZYQL-VYDXJSESSA-N 1 2 358.404 2.292 20 30 FEEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCC[C@@H]3C(F)(F)F)C2)C1 ZINC000972434991 682414681 /nfs/dbraw/zinc/41/46/81/682414681.db2.gz KCNZDYVEUXZYQL-VYDXJSESSA-N 1 2 358.404 2.292 20 30 FEEDLO C[NH+](C)Cc1csc(CNC(=O)C(F)(F)c2ccccc2C#N)n1 ZINC000927763252 683306010 /nfs/dbraw/zinc/30/60/10/683306010.db2.gz AZAYQUAJOQHDKU-UHFFFAOYSA-N 1 2 350.394 2.485 20 30 FEEDLO N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCC=C(Br)C2)cc1 ZINC000799328728 683446024 /nfs/dbraw/zinc/44/60/24/683446024.db2.gz RQZGWTFCGQNPGQ-OAHLLOKOSA-N 1 2 351.244 2.477 20 30 FEEDLO N#CCc1ccc(OC[C@H](O)C[N@H+]2CCC=C(Br)C2)cc1 ZINC000799328728 683446028 /nfs/dbraw/zinc/44/60/28/683446028.db2.gz RQZGWTFCGQNPGQ-OAHLLOKOSA-N 1 2 351.244 2.477 20 30 FEEDLO COC(=O)C1(C#N)CC[NH+](Cc2c(O)cccc2Br)CC1 ZINC000862385831 683581949 /nfs/dbraw/zinc/58/19/49/683581949.db2.gz QNKOJKJZRIBBSE-UHFFFAOYSA-N 1 2 353.216 2.433 20 30 FEEDLO C#CC[C@H]1CC[N@@H+](Cc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2Cl)C1 ZINC000862443273 683592288 /nfs/dbraw/zinc/59/22/88/683592288.db2.gz NLEVKHPPCSNWLN-KBPBESRZSA-N 1 2 355.891 2.050 20 30 FEEDLO C#CC[C@H]1CC[N@H+](Cc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2Cl)C1 ZINC000862443273 683592293 /nfs/dbraw/zinc/59/22/93/683592293.db2.gz NLEVKHPPCSNWLN-KBPBESRZSA-N 1 2 355.891 2.050 20 30 FEEDLO C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000931669628 684325122 /nfs/dbraw/zinc/32/51/22/684325122.db2.gz XOZBIKUDXWMQLZ-HIFRSBDPSA-N 1 2 364.515 2.072 20 30 FEEDLO N#Cc1cc(Cl)ccc1COC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000923774925 684348808 /nfs/dbraw/zinc/34/88/08/684348808.db2.gz FJFUMIIOBJAAJC-SJORKVTESA-N 1 2 364.829 2.135 20 30 FEEDLO C=C(Br)CNC(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000868153637 684458194 /nfs/dbraw/zinc/45/81/94/684458194.db2.gz CBUNFLLLWJSNDJ-UHFFFAOYSA-N 1 2 371.304 2.343 20 30 FEEDLO C=C[C@@](C)(CCOC)C(=O)NC1CC[NH+](CC(=O)OC(C)(C)C)CC1 ZINC000871542475 684827372 /nfs/dbraw/zinc/82/73/72/684827372.db2.gz ILAFQPMKTWQRRW-IBGZPJMESA-N 1 2 354.491 2.138 20 30 FEEDLO C=CC[C@H](C(=O)OC)N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000877915597 686481478 /nfs/dbraw/zinc/48/14/78/686481478.db2.gz XAZRXSOOTYJBNJ-MRXNPFEDSA-N 1 2 352.862 2.454 20 30 FEEDLO C=CCNC(=O)C[NH+]1CCC(c2nc(C)c(C(=O)OCC)s2)CC1 ZINC000879679886 686887270 /nfs/dbraw/zinc/88/72/70/686887270.db2.gz WKEVAAUOEOOLRV-UHFFFAOYSA-N 1 2 351.472 2.110 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCCc3ccns3)CC2)cc1 ZINC000883785105 687725989 /nfs/dbraw/zinc/72/59/89/687725989.db2.gz ISVZQNFRVQUGPQ-UHFFFAOYSA-N 1 2 355.467 2.085 20 30 FEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000884092094 687787254 /nfs/dbraw/zinc/78/72/54/687787254.db2.gz SATSLIXUHNQAAX-FZMZJTMJSA-N 1 2 358.360 2.199 20 30 FEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCO[C@H](c2cccc(Cl)c2)[C@H]1C ZINC000884413596 687866685 /nfs/dbraw/zinc/86/66/85/687866685.db2.gz XPTKGZGGQYAEJB-PVUWLOKVSA-N 1 2 366.845 2.075 20 30 FEEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2ccc(-c3coc(C)n3)cc2)C1 ZINC000885511207 688088330 /nfs/dbraw/zinc/08/83/30/688088330.db2.gz CSTFIXKJXYUILC-MRXNPFEDSA-N 1 2 359.451 2.026 20 30 FEEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2ccc(-c3coc(C)n3)cc2)C1 ZINC000885511207 688088333 /nfs/dbraw/zinc/08/83/33/688088333.db2.gz CSTFIXKJXYUILC-MRXNPFEDSA-N 1 2 359.451 2.026 20 30 FEEDLO C[C@@H]1C[C@@H](N[NH+]=Cc2c(Cl)nc(N)nc2N2CCCC2)C[C@H](C)O1 ZINC000901310173 690634574 /nfs/dbraw/zinc/63/45/74/690634574.db2.gz HYQUMYWXJUGPIA-ZSBIGDGJSA-N 1 2 352.870 2.192 20 30 FEEDLO FC1(F)[C@H]2C[N@H+](Cn3cnnc3)C[C@H]2C(F)(F)C(F)(F)C1(F)F ZINC000902524595 690774394 /nfs/dbraw/zinc/77/43/94/690774394.db2.gz SKZRZEPONOGUFH-KNVOCYPGSA-N 1 2 350.213 2.338 20 30 FEEDLO FC1(F)[C@H]2C[N@@H+](Cn3cnnc3)C[C@H]2C(F)(F)C(F)(F)C1(F)F ZINC000902524595 690774396 /nfs/dbraw/zinc/77/43/96/690774396.db2.gz SKZRZEPONOGUFH-KNVOCYPGSA-N 1 2 350.213 2.338 20 30 FEEDLO O=C1C[C@@H]([N@@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)C(=O)N1CC(F)(F)F ZINC000905026117 691058428 /nfs/dbraw/zinc/05/84/28/691058428.db2.gz UQHWTWPBYDRALJ-GMSGAONNSA-N 1 2 362.245 2.043 20 30 FEEDLO O=C1C[C@@H]([N@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)C(=O)N1CC(F)(F)F ZINC000905026117 691058430 /nfs/dbraw/zinc/05/84/30/691058430.db2.gz UQHWTWPBYDRALJ-GMSGAONNSA-N 1 2 362.245 2.043 20 30 FEEDLO COc1cccc(N2CC[NH+](CC(=O)Nc3ccc(C#N)cc3)CC2)c1 ZINC000003584558 539371539 /nfs/dbraw/zinc/37/15/39/539371539.db2.gz XWRYHFPZCVRKBR-UHFFFAOYSA-N 1 2 350.422 2.328 20 30 FEEDLO Cn1cc[nH+]c1[C@H](NS(=O)(=O)c1cccc(C#N)c1)c1cccc(F)c1 ZINC000017521962 539642111 /nfs/dbraw/zinc/64/21/11/539642111.db2.gz BCMJMJNTJWPLJF-QGZVFWFLSA-N 1 2 370.409 2.499 20 30 FEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1COc2cc(F)c(Br)cc21 ZINC000800659913 674068401 /nfs/dbraw/zinc/06/84/01/674068401.db2.gz GIXJTRXSYSVAQV-KBPBESRZSA-N 1 2 367.218 2.236 20 30 FEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1COc2cc(F)c(Br)cc21 ZINC000800659913 674068402 /nfs/dbraw/zinc/06/84/02/674068402.db2.gz GIXJTRXSYSVAQV-KBPBESRZSA-N 1 2 367.218 2.236 20 30 FEEDLO N#CCc1ccc(OC[C@H](O)CN2CC[NH+](Cc3ccsc3)CC2)cc1 ZINC000025700444 539766598 /nfs/dbraw/zinc/76/65/98/539766598.db2.gz KDKJDRXZPMMWBL-LJQANCHMSA-N 1 2 371.506 2.372 20 30 FEEDLO CCc1ccccc1NC(=O)CNC(=O)C[N@H+](C)Cc1cccc(C#N)c1 ZINC000026327143 539784005 /nfs/dbraw/zinc/78/40/05/539784005.db2.gz LPINPUQZROVTQJ-UHFFFAOYSA-N 1 2 364.449 2.307 20 30 FEEDLO CCc1ccccc1NC(=O)CNC(=O)C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000026327143 539784009 /nfs/dbraw/zinc/78/40/09/539784009.db2.gz LPINPUQZROVTQJ-UHFFFAOYSA-N 1 2 364.449 2.307 20 30 FEEDLO Cc1csc(NC(=O)CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000026903742 539796878 /nfs/dbraw/zinc/79/68/78/539796878.db2.gz IUXLUDPSXHZMTF-UHFFFAOYSA-N 1 2 355.467 2.080 20 30 FEEDLO C[C@H](NC(=O)C[NH+]1CCN(c2cc(C#N)ccn2)CC1)c1ccc(F)cc1 ZINC000029445235 539853674 /nfs/dbraw/zinc/85/36/74/539853674.db2.gz GDXVTSRRJRJHLU-HNNXBMFYSA-N 1 2 367.428 2.092 20 30 FEEDLO C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(Cc2cc(C#N)ccc2F)CC1 ZINC000029682336 539860503 /nfs/dbraw/zinc/86/05/03/539860503.db2.gz GOIFVWHXWPCSKU-MRXNPFEDSA-N 1 2 358.461 2.216 20 30 FEEDLO N#CC1(NC(=O)C[N@@H+]2CCCN(C(=O)c3ccccc3)CC2)CCCCC1 ZINC000029707307 539862099 /nfs/dbraw/zinc/86/20/99/539862099.db2.gz IXCOHGNPSYVWKR-UHFFFAOYSA-N 1 2 368.481 2.177 20 30 FEEDLO N#CC1(NC(=O)C[N@H+]2CCCN(C(=O)c3ccccc3)CC2)CCCCC1 ZINC000029707307 539862102 /nfs/dbraw/zinc/86/21/02/539862102.db2.gz IXCOHGNPSYVWKR-UHFFFAOYSA-N 1 2 368.481 2.177 20 30 FEEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000029253591 539848468 /nfs/dbraw/zinc/84/84/68/539848468.db2.gz OAQOFWBQCCOJSN-HNNXBMFYSA-N 1 2 371.485 2.359 20 30 FEEDLO Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)N2CC[NH+](C)CC2)n1 ZINC000039323913 540001502 /nfs/dbraw/zinc/00/15/02/540001502.db2.gz RLQYRLVTXLZAJO-UHFFFAOYSA-N 1 2 358.389 2.147 20 30 FEEDLO N#Cc1ccc(OC[C@H](O)Cn2c3ccccc3[nH+]c2CCCO)cc1 ZINC000045023453 540147018 /nfs/dbraw/zinc/14/70/18/540147018.db2.gz MZPDUIIPTMPHGO-MRXNPFEDSA-N 1 2 351.406 2.273 20 30 FEEDLO Cc1ccc(NC(=O)CN(C)C(=O)C[N@H+](C)Cc2ccc(C#N)cc2)cc1 ZINC000046526400 540260746 /nfs/dbraw/zinc/26/07/46/540260746.db2.gz NJINRDVJWUYEPT-UHFFFAOYSA-N 1 2 364.449 2.396 20 30 FEEDLO Cc1ccc(NC(=O)CN(C)C(=O)C[N@@H+](C)Cc2ccc(C#N)cc2)cc1 ZINC000046526400 540260749 /nfs/dbraw/zinc/26/07/49/540260749.db2.gz NJINRDVJWUYEPT-UHFFFAOYSA-N 1 2 364.449 2.396 20 30 FEEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH+]1CCSCC1 ZINC000047992428 540338932 /nfs/dbraw/zinc/33/89/32/540338932.db2.gz HQRFAHXGAXRLDC-UHFFFAOYSA-N 1 2 350.488 2.000 20 30 FEEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN([C@H](C)c2nc(-c3ccccc3)no2)CC1 ZINC000052775764 540488501 /nfs/dbraw/zinc/48/85/01/540488501.db2.gz GDPWHYYHEYIGEM-JKSUJKDBSA-N 1 2 369.469 2.106 20 30 FEEDLO N#Cc1cccc(NC(=O)C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000052844424 540493533 /nfs/dbraw/zinc/49/35/33/540493533.db2.gz PRIFMMJUMCUDGT-UHFFFAOYSA-N 1 2 365.393 2.227 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCC(NC(=O)c2ccccc2F)CC1 ZINC000052725253 540485511 /nfs/dbraw/zinc/48/55/11/540485511.db2.gz FYQSTEOOHAOTMV-HXUWFJFHSA-N 1 2 374.460 2.074 20 30 FEEDLO C#CCC[NH+]1CCN(C(=O)c2cnn(C(C)(C)C)c2Br)CC1 ZINC000825078348 675635890 /nfs/dbraw/zinc/63/58/90/675635890.db2.gz YRALRBFFRQKIMA-UHFFFAOYSA-N 1 2 367.291 2.182 20 30 FEEDLO Cc1ccc(C#N)cc1NC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000058451817 540843881 /nfs/dbraw/zinc/84/38/81/540843881.db2.gz ZANUPEWPUUCYFH-GOSISDBHSA-N 1 2 360.483 2.196 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)COCCc3ccccc3)CC2)cc1 ZINC000058782605 540855741 /nfs/dbraw/zinc/85/57/41/540855741.db2.gz LAMWNXAUJIRYFP-UHFFFAOYSA-N 1 2 363.461 2.462 20 30 FEEDLO C[C@H]1CN(S(=O)(=O)c2ccccc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000062690680 541152915 /nfs/dbraw/zinc/15/29/15/541152915.db2.gz HRTCOGHPCWTOIU-INIZCTEOSA-N 1 2 355.463 2.453 20 30 FEEDLO C[C@H]1CN(S(=O)(=O)c2ccccc2C#N)CC[N@H+]1Cc1ccccc1 ZINC000062690680 541152919 /nfs/dbraw/zinc/15/29/19/541152919.db2.gz HRTCOGHPCWTOIU-INIZCTEOSA-N 1 2 355.463 2.453 20 30 FEEDLO CC(=O)Nc1nc(C[N@@H+]2CCCN(c3ncccc3C#N)CC2)cs1 ZINC000064634044 541213332 /nfs/dbraw/zinc/21/33/32/541213332.db2.gz OWESQLBNIMTGKL-UHFFFAOYSA-N 1 2 356.455 2.080 20 30 FEEDLO CC(=O)Nc1nc(C[N@H+]2CCCN(c3ncccc3C#N)CC2)cs1 ZINC000064634044 541213337 /nfs/dbraw/zinc/21/33/37/541213337.db2.gz OWESQLBNIMTGKL-UHFFFAOYSA-N 1 2 356.455 2.080 20 30 FEEDLO N#CC1(NC(=O)C[NH+]2CCC(NC(=O)c3cccs3)CC2)CCCCC1 ZINC000064802716 541218350 /nfs/dbraw/zinc/21/83/50/541218350.db2.gz CTTBUYOQPWJZJD-UHFFFAOYSA-N 1 2 374.510 2.285 20 30 FEEDLO CC[N@@H+](CC(=O)NC1CCN(C(=O)C2CCCCC2)CC1)C[C@@H](C)C#N ZINC000066424643 541316222 /nfs/dbraw/zinc/31/62/22/541316222.db2.gz SPMNXIIWNLPIAU-INIZCTEOSA-N 1 2 362.518 2.155 20 30 FEEDLO CC[N@H+](CC(=O)NC1CCN(C(=O)C2CCCCC2)CC1)C[C@@H](C)C#N ZINC000066424643 541316226 /nfs/dbraw/zinc/31/62/26/541316226.db2.gz SPMNXIIWNLPIAU-INIZCTEOSA-N 1 2 362.518 2.155 20 30 FEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN(C(=O)Cc2ccccc2F)CC1 ZINC000066867753 541384053 /nfs/dbraw/zinc/38/40/53/541384053.db2.gz YEIXKUXGLXFPSM-QGZVFWFLSA-N 1 2 373.472 2.102 20 30 FEEDLO Cc1noc(C)c1C[NH+]1CCN([C@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000067411017 541458945 /nfs/dbraw/zinc/45/89/45/541458945.db2.gz VAMNMVZXRQFFLC-OAHLLOKOSA-N 1 2 367.453 2.308 20 30 FEEDLO N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)NCCn2cc[nH+]c2)n1 ZINC000542959112 541509073 /nfs/dbraw/zinc/50/90/73/541509073.db2.gz OCLJXJIGGCLLGR-UHFFFAOYSA-N 1 2 355.789 2.416 20 30 FEEDLO Cc1cc(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)nn1[C@@H](C)C1CC1 ZINC000543314699 541570810 /nfs/dbraw/zinc/57/08/10/541570810.db2.gz DMTZZVCMAVKHON-INIZCTEOSA-N 1 2 374.489 2.242 20 30 FEEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000069078444 541654486 /nfs/dbraw/zinc/65/44/86/541654486.db2.gz FDLIEFZZGHQFEI-HOCLYGCPSA-N 1 2 370.432 2.251 20 30 FEEDLO Cc1cc(C)c(C#N)c(N2CC[NH+](CC(=O)N3CCCCCC3)CC2)n1 ZINC000072883469 541888821 /nfs/dbraw/zinc/88/88/21/541888821.db2.gz FVRYGGSTWCTWBM-UHFFFAOYSA-N 1 2 355.486 2.095 20 30 FEEDLO N#Cc1cccc(S(=O)(=O)NCc2ccccc2Cn2cc[nH+]c2)c1 ZINC000073635958 541978386 /nfs/dbraw/zinc/97/83/86/541978386.db2.gz NWBKQVDPANUQGO-UHFFFAOYSA-N 1 2 352.419 2.282 20 30 FEEDLO CCCNC(=O)C1CC[NH+](CC(=O)Nc2cc(Cl)ccc2C#N)CC1 ZINC000073780368 541998644 /nfs/dbraw/zinc/99/86/44/541998644.db2.gz XKKMKKRASXYTKY-UHFFFAOYSA-N 1 2 362.861 2.388 20 30 FEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN(c2ncnc3sccc32)CC1 ZINC000074158373 542044512 /nfs/dbraw/zinc/04/45/12/542044512.db2.gz HBGDYWIKRRWTSL-OAHLLOKOSA-N 1 2 371.510 2.402 20 30 FEEDLO C[C@H]1C[N@H+](Cc2ccccc2)CCN1S(=O)(=O)c1cccc(C#N)c1 ZINC000076854965 542326638 /nfs/dbraw/zinc/32/66/38/542326638.db2.gz YFYSABNIQKCLJN-INIZCTEOSA-N 1 2 355.463 2.453 20 30 FEEDLO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1S(=O)(=O)c1cccc(C#N)c1 ZINC000076854965 542326640 /nfs/dbraw/zinc/32/66/40/542326640.db2.gz YFYSABNIQKCLJN-INIZCTEOSA-N 1 2 355.463 2.453 20 30 FEEDLO COc1cc[nH+]cc1NC(=O)C(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000076731279 542318733 /nfs/dbraw/zinc/31/87/33/542318733.db2.gz ZLFQMCDASVTMMK-RDJZCZTQSA-N 1 2 364.405 2.327 20 30 FEEDLO COc1cc(C#N)ccc1OCC[NH+]1CCN(Cc2cc(C)no2)CC1 ZINC000077247945 542358750 /nfs/dbraw/zinc/35/87/50/542358750.db2.gz VBDKGQKJGIESTN-UHFFFAOYSA-N 1 2 356.426 2.060 20 30 FEEDLO COc1cc(C#N)ccc1OCCN1CC[NH+](Cc2cc(C)no2)CC1 ZINC000077247945 542358752 /nfs/dbraw/zinc/35/87/52/542358752.db2.gz VBDKGQKJGIESTN-UHFFFAOYSA-N 1 2 356.426 2.060 20 30 FEEDLO N#Cc1cccc(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000077359336 542372954 /nfs/dbraw/zinc/37/29/54/542372954.db2.gz CVBAEKBETVNLOA-UHFFFAOYSA-N 1 2 350.378 2.424 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cccc(Br)c1 ZINC000078687293 542476826 /nfs/dbraw/zinc/47/68/26/542476826.db2.gz KREABWGKMFDUBF-UHFFFAOYSA-N 1 2 352.276 2.497 20 30 FEEDLO N#CCC[N@@H+](CC(=O)NCc1ccc(C(=O)N2CCCC2)cc1)CC1CC1 ZINC000081044482 542627718 /nfs/dbraw/zinc/62/77/18/542627718.db2.gz IHVZFOPYWYWDFL-UHFFFAOYSA-N 1 2 368.481 2.164 20 30 FEEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000081010774 542624262 /nfs/dbraw/zinc/62/42/62/542624262.db2.gz CXUUOYIIVZXROS-KRWDZBQOSA-N 1 2 370.497 2.241 20 30 FEEDLO N#CCC[N@H+](CC(=O)NCc1ccc(C(=O)N2CCCC2)cc1)CC1CC1 ZINC000081044482 542627721 /nfs/dbraw/zinc/62/77/21/542627721.db2.gz IHVZFOPYWYWDFL-UHFFFAOYSA-N 1 2 368.481 2.164 20 30 FEEDLO Cc1ccc2[nH]cc(CCC(=O)N(CCC#N)CC[NH+]3CCOCC3)c2c1 ZINC000081309923 542647357 /nfs/dbraw/zinc/64/73/57/542647357.db2.gz RVYINITUDMXPPZ-UHFFFAOYSA-N 1 2 368.481 2.483 20 30 FEEDLO COC(=O)[C@@H](NC1CC[NH+](Cc2cscn2)CC1)c1cccc(C#N)c1 ZINC000083031221 542690543 /nfs/dbraw/zinc/69/05/43/542690543.db2.gz XBQNIFDWQKXYER-SFHVURJKSA-N 1 2 370.478 2.483 20 30 FEEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN(Cc2nccn2C(F)F)CC1 ZINC000086230454 542734853 /nfs/dbraw/zinc/73/48/53/542734853.db2.gz WGGHJWJUBLDABR-OAHLLOKOSA-N 1 2 369.460 2.209 20 30 FEEDLO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCCC3(C2)OCCO3)cc1C ZINC000090563767 542786925 /nfs/dbraw/zinc/78/69/25/542786925.db2.gz BHYYWESIVVMKGQ-UHFFFAOYSA-N 1 2 357.454 2.389 20 30 FEEDLO Cc1ccc(N(CCC#N)C(=O)C[N@H+]2CCCC3(C2)OCCO3)cc1C ZINC000090563767 542786929 /nfs/dbraw/zinc/78/69/29/542786929.db2.gz BHYYWESIVVMKGQ-UHFFFAOYSA-N 1 2 357.454 2.389 20 30 FEEDLO N#Cc1ccsc1NC(=O)CC[NH+]1CCN(c2ncccc2F)CC1 ZINC000090631061 542787299 /nfs/dbraw/zinc/78/72/99/542787299.db2.gz RULJFZFYLCXEIE-UHFFFAOYSA-N 1 2 359.430 2.305 20 30 FEEDLO COc1cc(C[NH+]2CCN(c3cnccc3C#N)CC2)cc(OC)c1OC ZINC000091733873 542822152 /nfs/dbraw/zinc/82/21/52/542822152.db2.gz BPJJJMDKPPCSSF-UHFFFAOYSA-N 1 2 368.437 2.301 20 30 FEEDLO COc1ccc(C[N@H+](C)[C@@H](C)CS(C)(=O)=O)cc1OCCCC#N ZINC000093385004 542930266 /nfs/dbraw/zinc/93/02/66/542930266.db2.gz YQKWVIYZQQEFDT-AWEZNQCLSA-N 1 2 354.472 2.243 20 30 FEEDLO COc1ccc(C[N@@H+](C)[C@@H](C)CS(C)(=O)=O)cc1OCCCC#N ZINC000093385004 542930268 /nfs/dbraw/zinc/93/02/68/542930268.db2.gz YQKWVIYZQQEFDT-AWEZNQCLSA-N 1 2 354.472 2.243 20 30 FEEDLO COC(=O)C[C@@H]1C[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)CCO1 ZINC000093458269 542931398 /nfs/dbraw/zinc/93/13/98/542931398.db2.gz HEFFYOVLSRFXOK-GOSISDBHSA-N 1 2 368.437 2.228 20 30 FEEDLO COC(=O)C[C@@H]1C[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)CCO1 ZINC000093458269 542931402 /nfs/dbraw/zinc/93/14/02/542931402.db2.gz HEFFYOVLSRFXOK-GOSISDBHSA-N 1 2 368.437 2.228 20 30 FEEDLO CCNC(=O)C[N@H+](CC)CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC000096994345 543001882 /nfs/dbraw/zinc/00/18/82/543001882.db2.gz VEFYOMMXLBZRNS-UHFFFAOYSA-N 1 2 364.877 2.353 20 30 FEEDLO CCNC(=O)C[N@@H+](CC)CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC000096994345 543001883 /nfs/dbraw/zinc/00/18/83/543001883.db2.gz VEFYOMMXLBZRNS-UHFFFAOYSA-N 1 2 364.877 2.353 20 30 FEEDLO C=CCn1c(=O)c2ccc(C(=O)NC[C@@H]3CC[N@@H+](CC)C3)cc2[nH]c1=S ZINC000107888234 543281069 /nfs/dbraw/zinc/28/10/69/543281069.db2.gz GYTXQGQZXXDSAV-ZDUSSCGKSA-N 1 2 372.494 2.317 20 30 FEEDLO C=CCn1c(=O)c2ccc(C(=O)NC[C@@H]3CC[N@H+](CC)C3)cc2[nH]c1=S ZINC000107888234 543281071 /nfs/dbraw/zinc/28/10/71/543281071.db2.gz GYTXQGQZXXDSAV-ZDUSSCGKSA-N 1 2 372.494 2.317 20 30 FEEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)[C@@H]1CCCCNC1=O ZINC000108363882 543287865 /nfs/dbraw/zinc/28/78/65/543287865.db2.gz IAXYDJOZLANZCS-GDBMZVCRSA-N 1 2 374.510 2.477 20 30 FEEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)[C@@H]1CCCCNC1=O ZINC000108363882 543287868 /nfs/dbraw/zinc/28/78/68/543287868.db2.gz IAXYDJOZLANZCS-GDBMZVCRSA-N 1 2 374.510 2.477 20 30 FEEDLO C#CCOc1cccc(NC(=O)NCc2ccc[nH+]c2N2CCOCC2)c1 ZINC000108518185 543292467 /nfs/dbraw/zinc/29/24/67/543292467.db2.gz XUGPDHATFOJVMG-UHFFFAOYSA-N 1 2 366.421 2.252 20 30 FEEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](N3CCCC3=O)C2)c(C#N)c1C ZINC000111295428 543393873 /nfs/dbraw/zinc/39/38/73/543393873.db2.gz CFGSKEPEWLXMHI-ZFWWWQNUSA-N 1 2 358.442 2.182 20 30 FEEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](N3CCCC3=O)C2)c(C#N)c1C ZINC000111295428 543393876 /nfs/dbraw/zinc/39/38/76/543393876.db2.gz CFGSKEPEWLXMHI-ZFWWWQNUSA-N 1 2 358.442 2.182 20 30 FEEDLO Cc1cc(N2CCN(C(=O)c3ccc(C#N)nc3)CC2)nc(C(C)C)[nH+]1 ZINC000115323204 543560286 /nfs/dbraw/zinc/56/02/86/543560286.db2.gz JISTVPRIKDCISO-UHFFFAOYSA-N 1 2 350.426 2.138 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000116185118 543603093 /nfs/dbraw/zinc/60/30/93/543603093.db2.gz KDRIAFKKQLTOIT-HUUCEWRRSA-N 1 2 363.408 2.143 20 30 FEEDLO C=CCNC(=O)CN1CC[NH+](Cc2cnc(-c3ccc(C)o3)s2)CC1 ZINC000122251392 543705261 /nfs/dbraw/zinc/70/52/61/543705261.db2.gz LOJFCVZBCDDBBP-UHFFFAOYSA-N 1 2 360.483 2.131 20 30 FEEDLO COc1ccc(Cl)cc1S(=O)(=O)N1CC[NH+](CCCCC#N)CC1 ZINC000123446657 543762635 /nfs/dbraw/zinc/76/26/35/543762635.db2.gz NZTJVJDDSPYFLF-UHFFFAOYSA-N 1 2 371.890 2.349 20 30 FEEDLO C[NH+](C)[C@@H](CNS(=O)(=O)c1c(F)cc(C#N)cc1F)c1ccccc1 ZINC000123983408 543794603 /nfs/dbraw/zinc/79/46/03/543794603.db2.gz YRZKRYJMPRIEQT-INIZCTEOSA-N 1 2 365.405 2.418 20 30 FEEDLO N#Cc1cc(C(F)(F)F)ccc1NCCCCN1CC[NH+](CCO)CC1 ZINC000126553559 543943546 /nfs/dbraw/zinc/94/35/46/543943546.db2.gz BXTPKRXJLAPDQQ-UHFFFAOYSA-N 1 2 370.419 2.379 20 30 FEEDLO C[N@@H+]1CCO[C@H]([C@H](NC(=O)c2ccc(C#N)nc2)c2ccc(Cl)cc2)C1 ZINC000126985294 543967086 /nfs/dbraw/zinc/96/70/86/543967086.db2.gz KRSIGUSURDRTMU-ZWKOTPCHSA-N 1 2 370.840 2.408 20 30 FEEDLO C[N@H+]1CCO[C@H]([C@H](NC(=O)c2ccc(C#N)nc2)c2ccc(Cl)cc2)C1 ZINC000126985294 543967087 /nfs/dbraw/zinc/96/70/87/543967087.db2.gz KRSIGUSURDRTMU-ZWKOTPCHSA-N 1 2 370.840 2.408 20 30 FEEDLO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)Nc1cccc(C#N)c1 ZINC000130622835 544158136 /nfs/dbraw/zinc/15/81/36/544158136.db2.gz YLNULIOMIGWAKP-MRXNPFEDSA-N 1 2 362.433 2.230 20 30 FEEDLO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)Nc1cccc(C#N)c1 ZINC000130622835 544158139 /nfs/dbraw/zinc/15/81/39/544158139.db2.gz YLNULIOMIGWAKP-MRXNPFEDSA-N 1 2 362.433 2.230 20 30 FEEDLO CC(C)(C)[N@H+](CC(N)=O)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000131113138 544177243 /nfs/dbraw/zinc/17/72/43/544177243.db2.gz IPVYGZJZWDWLIL-UHFFFAOYSA-N 1 2 350.850 2.172 20 30 FEEDLO CC(C)(C)[N@@H+](CC(N)=O)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000131113138 544177244 /nfs/dbraw/zinc/17/72/44/544177244.db2.gz IPVYGZJZWDWLIL-UHFFFAOYSA-N 1 2 350.850 2.172 20 30 FEEDLO C[C@@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN(CC#Cc3ccc(F)cc3)CC2)C1 ZINC000132492251 544233031 /nfs/dbraw/zinc/23/30/31/544233031.db2.gz QZEHESUEACKOOD-KDURUIRLSA-N 1 2 371.500 2.299 20 30 FEEDLO C[N@@H+]1CCO[C@@H]([C@H](NC(=O)c2cc(C#N)c[nH]2)c2ccc(Cl)cc2)C1 ZINC000133461977 544271074 /nfs/dbraw/zinc/27/10/74/544271074.db2.gz IGEKOYFOCSOSQK-IAGOWNOFSA-N 1 2 358.829 2.341 20 30 FEEDLO C[N@H+]1CCO[C@@H]([C@H](NC(=O)c2cc(C#N)c[nH]2)c2ccc(Cl)cc2)C1 ZINC000133461977 544271075 /nfs/dbraw/zinc/27/10/75/544271075.db2.gz IGEKOYFOCSOSQK-IAGOWNOFSA-N 1 2 358.829 2.341 20 30 FEEDLO C=C(C)COCCNC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000135000238 544330732 /nfs/dbraw/zinc/33/07/32/544330732.db2.gz ZMWNEXNCQTZVNZ-IYBDPMFKSA-N 1 2 362.474 2.087 20 30 FEEDLO O=C(C[NH+]1CCN(CC#Cc2ccccc2Cl)CC1)N1CCCCC1 ZINC000134949579 544329096 /nfs/dbraw/zinc/32/90/96/544329096.db2.gz HZGUHMFFFGJLPW-UHFFFAOYSA-N 1 2 359.901 2.322 20 30 FEEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCOC2(CCOCC2)C1 ZINC000135597446 544355249 /nfs/dbraw/zinc/35/52/49/544355249.db2.gz DMLCRYPVFZLWEO-CYBMUJFWSA-N 1 2 363.845 2.420 20 30 FEEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCOC2(CCOCC2)C1 ZINC000135597446 544355252 /nfs/dbraw/zinc/35/52/52/544355252.db2.gz DMLCRYPVFZLWEO-CYBMUJFWSA-N 1 2 363.845 2.420 20 30 FEEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCOC2(CCOCC2)C1 ZINC000135605746 544355833 /nfs/dbraw/zinc/35/58/33/544355833.db2.gz JHWPQNMTHGIETQ-TVRKMHQQSA-N 1 2 363.502 2.187 20 30 FEEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCOC2(CCOCC2)C1 ZINC000135605746 544355834 /nfs/dbraw/zinc/35/58/34/544355834.db2.gz JHWPQNMTHGIETQ-TVRKMHQQSA-N 1 2 363.502 2.187 20 30 FEEDLO C=CCNc1ncc(C(=O)NCc2ccc(N3CCO[C@@H](C)C3)[nH+]c2)s1 ZINC000136170302 544368390 /nfs/dbraw/zinc/36/83/90/544368390.db2.gz DKEHFWAAZXICBY-ZDUSSCGKSA-N 1 2 373.482 2.291 20 30 FEEDLO Cc1nn(-c2ccccc2)cc1CN(CCC#N)CC[NH+]1CCOCC1 ZINC000154780787 544948727 /nfs/dbraw/zinc/94/87/27/544948727.db2.gz XWKUNBFPJYVHRO-UHFFFAOYSA-N 1 2 353.470 2.229 20 30 FEEDLO COc1ccc(C(N)=[NH+]OCC(=O)Nc2ccnn2C2CCCC2)cc1 ZINC000154502125 544913507 /nfs/dbraw/zinc/91/35/07/544913507.db2.gz XUNOVOMQNVOOCB-UHFFFAOYSA-N 1 2 357.414 2.282 20 30 FEEDLO N#Cc1ccc(Cl)c(NC(=O)C(=O)NCCCNc2cccc[nH+]2)c1 ZINC000154866755 544959385 /nfs/dbraw/zinc/95/93/85/544959385.db2.gz XPVDWBITDPBBGU-UHFFFAOYSA-N 1 2 357.801 2.164 20 30 FEEDLO CCc1n[nH]c(C2CC[NH+]([C@H](C)C(=O)Nc3ccccc3C#N)CC2)n1 ZINC000190682698 328224464 /nfs/dbraw/zinc/22/44/64/328224464.db2.gz ZRXCVTSSHYAUEX-CYBMUJFWSA-N 1 2 352.442 2.445 20 30 FEEDLO CCc1nc(C2CC[NH+]([C@H](C)C(=O)Nc3ccccc3C#N)CC2)n[nH]1 ZINC000190682698 328224465 /nfs/dbraw/zinc/22/44/65/328224465.db2.gz ZRXCVTSSHYAUEX-CYBMUJFWSA-N 1 2 352.442 2.445 20 30 FEEDLO CC[N@H+](CC(=O)Nc1ccc2c(c1)OCCO2)Cc1cc(C#N)n(C)c1 ZINC000191173596 328252732 /nfs/dbraw/zinc/25/27/32/328252732.db2.gz IXGLXCCGYABPIH-UHFFFAOYSA-N 1 2 354.410 2.129 20 30 FEEDLO CC[N@@H+](CC(=O)Nc1ccc2c(c1)OCCO2)Cc1cc(C#N)n(C)c1 ZINC000191173596 328252733 /nfs/dbraw/zinc/25/27/33/328252733.db2.gz IXGLXCCGYABPIH-UHFFFAOYSA-N 1 2 354.410 2.129 20 30 FEEDLO COC(C[N@H+](CCCO)Cc1cc(C#N)ccc1Br)OC ZINC000191823678 328283944 /nfs/dbraw/zinc/28/39/44/328283944.db2.gz WHBVNBIAHMKZGS-UHFFFAOYSA-N 1 2 357.248 2.124 20 30 FEEDLO COC(C[N@@H+](CCCO)Cc1cc(C#N)ccc1Br)OC ZINC000191823678 328283945 /nfs/dbraw/zinc/28/39/45/328283945.db2.gz WHBVNBIAHMKZGS-UHFFFAOYSA-N 1 2 357.248 2.124 20 30 FEEDLO N#Cc1ccc(N2CCC[C@@H]([N@H+](CC(N)=O)Cc3ccccc3)C2=O)cc1 ZINC000192587750 328327312 /nfs/dbraw/zinc/32/73/12/328327312.db2.gz OFGZAFNNNKPSCV-LJQANCHMSA-N 1 2 362.433 2.041 20 30 FEEDLO N#Cc1ccc(N2CCC[C@@H]([N@@H+](CC(N)=O)Cc3ccccc3)C2=O)cc1 ZINC000192587750 328327314 /nfs/dbraw/zinc/32/73/14/328327314.db2.gz OFGZAFNNNKPSCV-LJQANCHMSA-N 1 2 362.433 2.041 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)NCCc2[nH+]ccn2Cc2ccccc2)cc1 ZINC000030005023 324454749 /nfs/dbraw/zinc/45/47/49/324454749.db2.gz HEQPPWLOUZGLFI-UHFFFAOYSA-N 1 2 366.446 2.324 20 30 FEEDLO CCCCNC(=O)C1CC[NH+]([C@@H](C(=O)OC)c2cccc(C#N)c2)CC1 ZINC000083188260 325215297 /nfs/dbraw/zinc/21/52/97/325215297.db2.gz SWWOKNXOMUBUDW-GOSISDBHSA-N 1 2 357.454 2.401 20 30 FEEDLO CN(Cc1cccc(C#N)c1)C(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000113639883 325859163 /nfs/dbraw/zinc/85/91/63/325859163.db2.gz POQJIQGAAPERRE-UHFFFAOYSA-N 1 2 359.389 2.341 20 30 FEEDLO C[C@H]1CN(c2nccnc2C#N)CCN1Cc1cn2cc(Cl)ccc2[nH+]1 ZINC000155532511 326792193 /nfs/dbraw/zinc/79/21/93/326792193.db2.gz JKFACXFPTBQHBN-ZDUSSCGKSA-N 1 2 367.844 2.360 20 30 FEEDLO N#Cc1ccc(OCC[NH+]2CCN(C(=O)c3cccc(O)c3)CC2)cc1 ZINC000174668223 327342478 /nfs/dbraw/zinc/34/24/78/327342478.db2.gz DPMIQKPDBXZGQU-UHFFFAOYSA-N 1 2 351.406 2.101 20 30 FEEDLO N#Cc1ccc(OCCNC(=O)NCc2cccnc2-n2cc[nH+]c2)cc1 ZINC000174900539 327359480 /nfs/dbraw/zinc/35/94/80/327359480.db2.gz UPNHSAQMGFUZHO-UHFFFAOYSA-N 1 2 362.393 2.017 20 30 FEEDLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000265581582 329140489 /nfs/dbraw/zinc/14/04/89/329140489.db2.gz GLUUSEYVGJIXSV-WCBZVUCDSA-N 1 2 353.875 2.382 20 30 FEEDLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000265581582 329140490 /nfs/dbraw/zinc/14/04/90/329140490.db2.gz GLUUSEYVGJIXSV-WCBZVUCDSA-N 1 2 353.875 2.382 20 30 FEEDLO CCc1nn(C)c(Cl)c1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000270914961 329644423 /nfs/dbraw/zinc/64/44/23/329644423.db2.gz IEGOOKNMAJLXEB-UHFFFAOYSA-N 1 2 371.872 2.466 20 30 FEEDLO COCCC(C)(C)CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000273616276 329879342 /nfs/dbraw/zinc/87/93/42/329879342.db2.gz ZTCDYJXBLVKUHD-UHFFFAOYSA-N 1 2 358.486 2.448 20 30 FEEDLO CC(C)OC(=O)CCCNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000274180947 329923526 /nfs/dbraw/zinc/92/35/26/329923526.db2.gz FOUFEKZKFMOVRI-UHFFFAOYSA-N 1 2 372.469 2.117 20 30 FEEDLO Cc1nc(C(=O)N2CC[C@@H](Oc3ccc[nH+]c3N(C)C)C2)ccc1C#N ZINC000275760373 330085541 /nfs/dbraw/zinc/08/55/41/330085541.db2.gz WXNHQOWHTBIQKM-OAHLLOKOSA-N 1 2 351.410 2.016 20 30 FEEDLO N#Cc1cc(F)ccc1S(=O)(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000156365894 545621803 /nfs/dbraw/zinc/62/18/03/545621803.db2.gz JXXBBKWRIIADNL-UHFFFAOYSA-N 1 2 360.414 2.171 20 30 FEEDLO N#Cc1cc(F)ccc1S(=O)(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000156705571 545651110 /nfs/dbraw/zinc/65/11/10/545651110.db2.gz NJVVZRGAJBAHDC-UHFFFAOYSA-N 1 2 365.455 2.095 20 30 FEEDLO N#Cc1cc(F)ccc1S(=O)(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000156705571 545651116 /nfs/dbraw/zinc/65/11/16/545651116.db2.gz NJVVZRGAJBAHDC-UHFFFAOYSA-N 1 2 365.455 2.095 20 30 FEEDLO CC(C)C(=O)NCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000157438065 545742455 /nfs/dbraw/zinc/74/24/55/545742455.db2.gz JAMRPYWOSDETPZ-LBPRGKRZSA-N 1 2 350.850 2.243 20 30 FEEDLO CC(C)C(=O)NCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000157438065 545742461 /nfs/dbraw/zinc/74/24/61/545742461.db2.gz JAMRPYWOSDETPZ-LBPRGKRZSA-N 1 2 350.850 2.243 20 30 FEEDLO CN1CC[N@H+](C)[C@@H](CNC(=O)Nc2cccc(C#Cc3ccccc3)c2)C1 ZINC000477656976 561150543 /nfs/dbraw/zinc/15/05/43/561150543.db2.gz BXNSRKYNANPRTE-NRFANRHFSA-N 1 2 362.477 2.454 20 30 FEEDLO CN1CC[N@@H+](C)[C@@H](CNC(=O)Nc2cccc(C#Cc3ccccc3)c2)C1 ZINC000477656976 561150544 /nfs/dbraw/zinc/15/05/44/561150544.db2.gz BXNSRKYNANPRTE-NRFANRHFSA-N 1 2 362.477 2.454 20 30 FEEDLO Cc1c2cc(C)ccc2[nH]c1C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000157560906 545755534 /nfs/dbraw/zinc/75/55/34/545755534.db2.gz ADYSUDBWXRJYJU-UHFFFAOYSA-N 1 2 354.454 2.473 20 30 FEEDLO C[N@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)C2(c3cccc(C#N)c3)CC2)C1 ZINC000477904449 561156188 /nfs/dbraw/zinc/15/61/88/561156188.db2.gz PIQCNMFKPJZIEP-GOSISDBHSA-N 1 2 361.449 2.113 20 30 FEEDLO C[N@@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)C2(c3cccc(C#N)c3)CC2)C1 ZINC000477904449 561156189 /nfs/dbraw/zinc/15/61/89/561156189.db2.gz PIQCNMFKPJZIEP-GOSISDBHSA-N 1 2 361.449 2.113 20 30 FEEDLO Cc1nc(C[N@@H+](C)[C@@H]2CCCN(C(=O)c3ccc(C#N)s3)CC2)no1 ZINC000478379927 561165495 /nfs/dbraw/zinc/16/54/95/561165495.db2.gz QRECGRLTTKCYFW-CYBMUJFWSA-N 1 2 359.455 2.438 20 30 FEEDLO Cc1nc(C[N@H+](C)[C@@H]2CCCN(C(=O)c3ccc(C#N)s3)CC2)no1 ZINC000478379927 561165496 /nfs/dbraw/zinc/16/54/96/561165496.db2.gz QRECGRLTTKCYFW-CYBMUJFWSA-N 1 2 359.455 2.438 20 30 FEEDLO C=CCNC(=O)c1ccc(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000161113875 546101897 /nfs/dbraw/zinc/10/18/97/546101897.db2.gz IWZPLRDZJCKWMN-QGZVFWFLSA-N 1 2 365.437 2.398 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000162595908 546140674 /nfs/dbraw/zinc/14/06/74/546140674.db2.gz MQKMXENNWZDBBR-RDJZCZTQSA-N 1 2 363.408 2.143 20 30 FEEDLO Cc1cc(C(=O)NC2CC[NH+](CC(=O)N[C@@](C)(C#N)C(C)C)CC2)c(C)o1 ZINC000170777158 546176067 /nfs/dbraw/zinc/17/60/67/546176067.db2.gz OFIUNDMEWBDQGW-FQEVSTJZSA-N 1 2 374.485 2.145 20 30 FEEDLO C=CCC[NH+]1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000172618790 546260972 /nfs/dbraw/zinc/26/09/72/546260972.db2.gz MXABWBXHPJFOFF-UHFFFAOYSA-N 1 2 359.289 2.332 20 30 FEEDLO C=CC[N@@H+](CCNS(=O)(=O)c1cnn(C)c1)Cc1ccc(Cl)s1 ZINC000173455804 546281950 /nfs/dbraw/zinc/28/19/50/546281950.db2.gz IQCNRZIZYLZJPS-UHFFFAOYSA-N 1 2 374.919 2.102 20 30 FEEDLO C=CC[N@H+](CCNS(=O)(=O)c1cnn(C)c1)Cc1ccc(Cl)s1 ZINC000173455804 546281955 /nfs/dbraw/zinc/28/19/55/546281955.db2.gz IQCNRZIZYLZJPS-UHFFFAOYSA-N 1 2 374.919 2.102 20 30 FEEDLO CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(F)cc2C#N)c[nH+]1 ZINC000175947039 546378052 /nfs/dbraw/zinc/37/80/52/546378052.db2.gz AINBAQLUESFKSU-UHFFFAOYSA-N 1 2 369.400 2.193 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000176265660 546425723 /nfs/dbraw/zinc/42/57/23/546425723.db2.gz HTBAVRALRBBAEW-UHFFFAOYSA-N 1 2 352.822 2.296 20 30 FEEDLO CO[C@@]1(C)C[C@@H]([N@H+](C)CCS(=O)(=O)c2ccc(C#N)cc2)C1(C)C ZINC000176286960 546427630 /nfs/dbraw/zinc/42/76/30/546427630.db2.gz WVQIZMSNXKMZLA-AEFFLSMTSA-N 1 2 350.484 2.467 20 30 FEEDLO CO[C@@]1(C)C[C@@H]([N@@H+](C)CCS(=O)(=O)c2ccc(C#N)cc2)C1(C)C ZINC000176286960 546427634 /nfs/dbraw/zinc/42/76/34/546427634.db2.gz WVQIZMSNXKMZLA-AEFFLSMTSA-N 1 2 350.484 2.467 20 30 FEEDLO CC(=O)c1ccccc1OCC[N@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000176372654 546437160 /nfs/dbraw/zinc/43/71/60/546437160.db2.gz KKXNBXQSHDSCMA-OAHLLOKOSA-N 1 2 365.437 2.140 20 30 FEEDLO CC(=O)c1ccccc1OCC[N@@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000176372654 546437165 /nfs/dbraw/zinc/43/71/65/546437165.db2.gz KKXNBXQSHDSCMA-OAHLLOKOSA-N 1 2 365.437 2.140 20 30 FEEDLO Cc1nc(C[C@H]2CCC[N@@H+]([C@@H]3CCN(c4sccc4C#N)C3=O)C2)no1 ZINC000177035054 546528635 /nfs/dbraw/zinc/52/86/35/546528635.db2.gz XKBHAJOLLVMWJW-UKRRQHHQSA-N 1 2 371.466 2.371 20 30 FEEDLO Cc1nc(C[C@H]2CCC[N@H+]([C@@H]3CCN(c4sccc4C#N)C3=O)C2)no1 ZINC000177035054 546528644 /nfs/dbraw/zinc/52/86/44/546528644.db2.gz XKBHAJOLLVMWJW-UKRRQHHQSA-N 1 2 371.466 2.371 20 30 FEEDLO C[C@]([NH2+]CC(=O)Nc1cccc(C#N)c1)(C(N)=O)c1cccc(Cl)c1 ZINC000177398433 546609132 /nfs/dbraw/zinc/60/91/32/546609132.db2.gz IXDJXPVMGHHDAG-GOSISDBHSA-N 1 2 356.813 2.140 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)N2CC[NH+](CC3CC3)CC2)cc1C(F)(F)F ZINC000177630424 546656783 /nfs/dbraw/zinc/65/67/83/546656783.db2.gz JHPPKPRUPCQTQU-UHFFFAOYSA-N 1 2 373.400 2.293 20 30 FEEDLO C=CCNC(=O)C[NH+]1CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC000177678623 546665243 /nfs/dbraw/zinc/66/52/43/546665243.db2.gz CVDBHJPJKNHBCV-UHFFFAOYSA-N 1 2 370.266 2.008 20 30 FEEDLO N#Cc1ccsc1NC(=O)CN1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000177785615 546687317 /nfs/dbraw/zinc/68/73/17/546687317.db2.gz IPIHVHPBDPYOLK-UHFFFAOYSA-N 1 2 356.451 2.082 20 30 FEEDLO C=CCOc1cccc(NC(=O)C(=O)NCc2ccn3cc[nH+]c3c2)c1 ZINC000178032293 546725818 /nfs/dbraw/zinc/72/58/18/546725818.db2.gz CZTBCSSPOWNXFP-UHFFFAOYSA-N 1 2 350.378 2.154 20 30 FEEDLO C=CCCS(=O)(=O)NCc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000178299877 546772007 /nfs/dbraw/zinc/77/20/07/546772007.db2.gz PDMWZNJCWLGAOQ-IYBDPMFKSA-N 1 2 352.500 2.291 20 30 FEEDLO C=CCCS(=O)(=O)NCc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000178299877 546772013 /nfs/dbraw/zinc/77/20/13/546772013.db2.gz PDMWZNJCWLGAOQ-IYBDPMFKSA-N 1 2 352.500 2.291 20 30 FEEDLO COC(=O)c1ccc(F)c(C[NH+]2CCN(c3ncccc3C#N)CC2)c1 ZINC000181868756 547394850 /nfs/dbraw/zinc/39/48/50/547394850.db2.gz OFIGITSKDLVRKW-UHFFFAOYSA-N 1 2 354.385 2.201 20 30 FEEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1)C1CC1 ZINC000182817045 547557233 /nfs/dbraw/zinc/55/72/33/547557233.db2.gz DVACTZJRYRTAGX-XJKSGUPXSA-N 1 2 369.391 2.347 20 30 FEEDLO C[C@](C#N)(NC(=O)C[N@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1)C1CC1 ZINC000182817045 547557235 /nfs/dbraw/zinc/55/72/35/547557235.db2.gz DVACTZJRYRTAGX-XJKSGUPXSA-N 1 2 369.391 2.347 20 30 FEEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@@H](C)c1nc(-c2cccc(OC)c2)no1 ZINC000185134513 547939063 /nfs/dbraw/zinc/93/90/63/547939063.db2.gz WFWOVIUJOSYPOJ-KBPBESRZSA-N 1 2 371.441 2.404 20 30 FEEDLO C=C(C)C[C@H](C)C(=O)Nc1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC000185284907 547964229 /nfs/dbraw/zinc/96/42/29/547964229.db2.gz DSTAEDAWBWTDOI-HNNXBMFYSA-N 1 2 365.499 2.164 20 30 FEEDLO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000185710169 548022897 /nfs/dbraw/zinc/02/28/97/548022897.db2.gz CRCHAPXFTKCDAV-FOCLMDBBSA-N 1 2 372.425 2.073 20 30 FEEDLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C#N)c1ccccc1F ZINC000485854141 561329860 /nfs/dbraw/zinc/32/98/60/561329860.db2.gz VMMJSOVUCVVWHF-SJORKVTESA-N 1 2 371.416 2.003 20 30 FEEDLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C#N)c1ccccc1F ZINC000485854141 561329861 /nfs/dbraw/zinc/32/98/61/561329861.db2.gz VMMJSOVUCVVWHF-SJORKVTESA-N 1 2 371.416 2.003 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CC[C@@H](C)C[C@@H]2C(N)=O)c1 ZINC000187448830 548257347 /nfs/dbraw/zinc/25/73/47/548257347.db2.gz YTCJSYGNEXMZLB-RDTXWAMCSA-N 1 2 356.470 2.136 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H](C)C[C@@H]2C(N)=O)c1 ZINC000187448830 548257354 /nfs/dbraw/zinc/25/73/54/548257354.db2.gz YTCJSYGNEXMZLB-RDTXWAMCSA-N 1 2 356.470 2.136 20 30 FEEDLO C=C[C@@](C)(CC)C(=O)N1CC[NH+](CCNC(=O)c2ccc(OC)cc2)CC1 ZINC000188367687 548277777 /nfs/dbraw/zinc/27/77/77/548277777.db2.gz DPHVBMKSEVPADW-NRFANRHFSA-N 1 2 373.497 2.172 20 30 FEEDLO CCCN1CCC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)CC1=O ZINC000189410662 548301618 /nfs/dbraw/zinc/30/16/18/548301618.db2.gz OZXZLQYPKZUGOV-KRWDZBQOSA-N 1 2 356.470 2.266 20 30 FEEDLO CCCN1CCC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)CC1=O ZINC000189410662 548301622 /nfs/dbraw/zinc/30/16/22/548301622.db2.gz OZXZLQYPKZUGOV-KRWDZBQOSA-N 1 2 356.470 2.266 20 30 FEEDLO C=C(C)CS(=O)(=O)NCc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000189534923 548305199 /nfs/dbraw/zinc/30/51/99/548305199.db2.gz BJTDWXTYSITPTC-IYBDPMFKSA-N 1 2 352.500 2.291 20 30 FEEDLO C=C(C)CS(=O)(=O)NCc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000189534923 548305201 /nfs/dbraw/zinc/30/52/01/548305201.db2.gz BJTDWXTYSITPTC-IYBDPMFKSA-N 1 2 352.500 2.291 20 30 FEEDLO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000191926080 548352756 /nfs/dbraw/zinc/35/27/56/548352756.db2.gz RFPNSOBXGKQQML-INIZCTEOSA-N 1 2 373.497 2.314 20 30 FEEDLO C#CCCCC(=O)N1CC[NH+](Cc2cc(OC)c(OC)c(OC)c2)CC1 ZINC000192147521 548359956 /nfs/dbraw/zinc/35/99/56/548359956.db2.gz LSSRRIHVSLBRRI-UHFFFAOYSA-N 1 2 360.454 2.160 20 30 FEEDLO Cc1oc(NC(=O)[C@H](C)[N@H+](C)CCN2C[C@@H](C)O[C@@H](C)C2)c(C#N)c1C ZINC000195321286 548622281 /nfs/dbraw/zinc/62/22/81/548622281.db2.gz SEVKPIFBTJLVCV-GUTXKFCHSA-N 1 2 362.474 2.136 20 30 FEEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+](C)CCN2C[C@@H](C)O[C@@H](C)C2)c(C#N)c1C ZINC000195321286 548622287 /nfs/dbraw/zinc/62/22/87/548622287.db2.gz SEVKPIFBTJLVCV-GUTXKFCHSA-N 1 2 362.474 2.136 20 30 FEEDLO Cc1[nH+]c2ccccc2n1CCC(=O)N1CCN(c2ccc(C#N)cn2)CC1 ZINC000487577186 561372194 /nfs/dbraw/zinc/37/21/94/561372194.db2.gz SSCABPWEDSRNSD-UHFFFAOYSA-N 1 2 374.448 2.350 20 30 FEEDLO C=CCCC[C@@H](C)NC(=O)C(=O)N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000487815943 561376516 /nfs/dbraw/zinc/37/65/16/561376516.db2.gz INAOJPFEGCCPLC-QGZVFWFLSA-N 1 2 373.497 2.200 20 30 FEEDLO CO[C@@H]1C[NH+](CC(=O)Nc2ccccc2SC[C@@H](C)C#N)C[C@H]1OC ZINC000488057240 561382362 /nfs/dbraw/zinc/38/23/62/561382362.db2.gz WGQQCEREXCTXGB-NUEKZKHPSA-N 1 2 363.483 2.222 20 30 FEEDLO CC[C@H]1C[N@@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CCN1CC(F)F ZINC000245791779 548994592 /nfs/dbraw/zinc/99/45/92/548994592.db2.gz XKOPGWBKKOWMGH-RDJZCZTQSA-N 1 2 362.424 2.325 20 30 FEEDLO CC[C@H]1C[N@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CCN1CC(F)F ZINC000245791779 548994595 /nfs/dbraw/zinc/99/45/95/548994595.db2.gz XKOPGWBKKOWMGH-RDJZCZTQSA-N 1 2 362.424 2.325 20 30 FEEDLO CC[N@H+](CC(=O)Nc1cccc(OC)c1)[C@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000488725823 561395397 /nfs/dbraw/zinc/39/53/97/561395397.db2.gz NENNQQRLTKLFMV-FOIQADDNSA-N 1 2 374.485 2.399 20 30 FEEDLO CC[N@@H+](CC(=O)Nc1cccc(OC)c1)[C@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000488725823 561395398 /nfs/dbraw/zinc/39/53/98/561395398.db2.gz NENNQQRLTKLFMV-FOIQADDNSA-N 1 2 374.485 2.399 20 30 FEEDLO N#Cc1cc(S(=O)(=O)NCc2cc[nH+]c(N3CCCC3)c2)ccc1F ZINC000488973798 561400660 /nfs/dbraw/zinc/40/06/60/561400660.db2.gz MDRKKOHWYKMEQA-UHFFFAOYSA-N 1 2 360.414 2.171 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)[C@H]1CCCN(c2ccccc2)C1=O ZINC000247117147 549286684 /nfs/dbraw/zinc/28/66/84/549286684.db2.gz GEHZQAYSLPVXNJ-PXNSSMCTSA-N 1 2 356.470 2.168 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)[C@H]1CCCN(c2ccccc2)C1=O ZINC000247117147 549286688 /nfs/dbraw/zinc/28/66/88/549286688.db2.gz GEHZQAYSLPVXNJ-PXNSSMCTSA-N 1 2 356.470 2.168 20 30 FEEDLO CC[N@H+](C[C@@H](O)C(F)(F)F)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000248719845 549490973 /nfs/dbraw/zinc/49/09/73/549490973.db2.gz GCZAOXJVBZWNII-LSDHHAIUSA-N 1 2 355.360 2.299 20 30 FEEDLO CC[N@@H+](C[C@@H](O)C(F)(F)F)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000248719845 549490976 /nfs/dbraw/zinc/49/09/76/549490976.db2.gz GCZAOXJVBZWNII-LSDHHAIUSA-N 1 2 355.360 2.299 20 30 FEEDLO Cn1cc[nH+]c1C[C@H]1CCCN(S(=O)(=O)c2ccc(C#N)c(F)c2)C1 ZINC000489679015 561416821 /nfs/dbraw/zinc/41/68/21/561416821.db2.gz AMIBCYYQYOBQNE-CYBMUJFWSA-N 1 2 362.430 2.074 20 30 FEEDLO CCN(C[C@H](C)C#N)C(=O)CN1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000255694003 549708081 /nfs/dbraw/zinc/70/80/81/549708081.db2.gz FIXWZDNHHPNUDM-JNLAIUADSA-N 1 2 354.498 2.326 20 30 FEEDLO CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCN(C/C=C\c2ccccc2)CC1 ZINC000255694003 549708083 /nfs/dbraw/zinc/70/80/83/549708083.db2.gz FIXWZDNHHPNUDM-JNLAIUADSA-N 1 2 354.498 2.326 20 30 FEEDLO CCC[N@H+](CC(=O)N(CCC#N)CCC#N)[C@@H](C)C(=O)Nc1ccccc1 ZINC000263645277 549912277 /nfs/dbraw/zinc/91/22/77/549912277.db2.gz ALEGWZYDKZBLCX-KRWDZBQOSA-N 1 2 369.469 2.382 20 30 FEEDLO CCC[N@@H+](CC(=O)N(CCC#N)CCC#N)[C@@H](C)C(=O)Nc1ccccc1 ZINC000263645277 549912280 /nfs/dbraw/zinc/91/22/80/549912280.db2.gz ALEGWZYDKZBLCX-KRWDZBQOSA-N 1 2 369.469 2.382 20 30 FEEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000264584793 549998265 /nfs/dbraw/zinc/99/82/65/549998265.db2.gz YTQQQDHGBPGQEH-UONOGXRCSA-N 1 2 371.466 2.278 20 30 FEEDLO CCN(CCC#N)C(=O)C[N@H+](C)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000265987163 550016210 /nfs/dbraw/zinc/01/62/10/550016210.db2.gz IBVMEFNANRNXGN-UHFFFAOYSA-N 1 2 369.368 2.211 20 30 FEEDLO CCN(CCC#N)C(=O)C[N@@H+](C)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000265987163 550016212 /nfs/dbraw/zinc/01/62/12/550016212.db2.gz IBVMEFNANRNXGN-UHFFFAOYSA-N 1 2 369.368 2.211 20 30 FEEDLO C[N@H+](CCC1CCOCC1)CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000268196660 550037785 /nfs/dbraw/zinc/03/77/85/550037785.db2.gz QMJOLJREDQIVHP-MRXNPFEDSA-N 1 2 368.437 2.260 20 30 FEEDLO C[N@@H+](CCC1CCOCC1)CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000268196660 550037788 /nfs/dbraw/zinc/03/77/88/550037788.db2.gz QMJOLJREDQIVHP-MRXNPFEDSA-N 1 2 368.437 2.260 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H](O)CCc3ccccc3)CC2)cc1 ZINC000492982095 561453922 /nfs/dbraw/zinc/45/39/22/561453922.db2.gz ARCKWKWJOLPLHZ-NRFANRHFSA-N 1 2 363.461 2.196 20 30 FEEDLO Cn1cnc2cc(C(=O)N3CC[NH+](Cc4ccc(C#N)cc4)CC3)ccc21 ZINC000269913691 550235890 /nfs/dbraw/zinc/23/58/90/550235890.db2.gz PPVZQTOGFUAIKB-UHFFFAOYSA-N 1 2 359.433 2.403 20 30 FEEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC[C@H](N2CCCC2=O)C1 ZINC000270483790 550276458 /nfs/dbraw/zinc/27/64/58/550276458.db2.gz ACRANRCLZPLAMK-DOMZBBRYSA-N 1 2 360.845 2.235 20 30 FEEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@H](N2CCCC2=O)C1 ZINC000270483790 550276460 /nfs/dbraw/zinc/27/64/60/550276460.db2.gz ACRANRCLZPLAMK-DOMZBBRYSA-N 1 2 360.845 2.235 20 30 FEEDLO CC(=O)Nc1ccc(S(=O)(=O)CCC[NH+]2CCC(C)(C#N)CC2)cc1 ZINC000272523614 550455841 /nfs/dbraw/zinc/45/58/41/550455841.db2.gz HOLHAMVTFLZENO-UHFFFAOYSA-N 1 2 363.483 2.434 20 30 FEEDLO Cc1cc(C)c(NC(=O)CNC(=O)C[NH+]2CCC(C)(C#N)CC2)c(C)c1 ZINC000272575679 550458837 /nfs/dbraw/zinc/45/88/37/550458837.db2.gz NPKFANFRGVZNNJ-UHFFFAOYSA-N 1 2 356.470 2.292 20 30 FEEDLO C[C@H](C#N)Oc1ccccc1NC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000272688862 550465402 /nfs/dbraw/zinc/46/54/02/550465402.db2.gz PWBAGTSJFGLAMC-MRXNPFEDSA-N 1 2 371.441 2.057 20 30 FEEDLO Cc1cc(Br)cn2cc(CNC(=O)CSCC#N)[nH+]c12 ZINC000274020785 550520048 /nfs/dbraw/zinc/52/00/48/550520048.db2.gz RJYQFEZGBDAMCK-UHFFFAOYSA-N 1 2 353.245 2.278 20 30 FEEDLO C#CC[N@@H+](CC(=O)N(C)c1ccccc1C(=O)NCc1ccco1)C1CC1 ZINC000274227638 550528706 /nfs/dbraw/zinc/52/87/06/550528706.db2.gz WEORBIXLOZDPJC-UHFFFAOYSA-N 1 2 365.433 2.270 20 30 FEEDLO C#CC[N@H+](CC(=O)N(C)c1ccccc1C(=O)NCc1ccco1)C1CC1 ZINC000274227638 550528707 /nfs/dbraw/zinc/52/87/07/550528707.db2.gz WEORBIXLOZDPJC-UHFFFAOYSA-N 1 2 365.433 2.270 20 30 FEEDLO C=C(C)[C@@H](NC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C)c1ccc(F)c(F)c1 ZINC000274712171 550550437 /nfs/dbraw/zinc/55/04/37/550550437.db2.gz AVDPAPVUSAPBSY-RHSMWYFYSA-N 1 2 352.429 2.127 20 30 FEEDLO C=C(C)[C@@H](NC(=O)NC[C@@H]1CN(C)CC[N@H+]1C)c1ccc(F)c(F)c1 ZINC000274712171 550550439 /nfs/dbraw/zinc/55/04/39/550550439.db2.gz AVDPAPVUSAPBSY-RHSMWYFYSA-N 1 2 352.429 2.127 20 30 FEEDLO CO[C@@H]1C[N@H+](CC(=O)Nc2ccccc2S[C@@H](C)CC#N)C[C@@H]1OC ZINC000276871144 550605621 /nfs/dbraw/zinc/60/56/21/550605621.db2.gz LNZKQHGMGUYPJK-CWRNSKLLSA-N 1 2 363.483 2.365 20 30 FEEDLO CO[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2S[C@@H](C)CC#N)C[C@@H]1OC ZINC000276871144 550605623 /nfs/dbraw/zinc/60/56/23/550605623.db2.gz LNZKQHGMGUYPJK-CWRNSKLLSA-N 1 2 363.483 2.365 20 30 FEEDLO N#Cc1ccc(N2CC[NH+](CC3CCS(=O)(=O)CC3)CC2)c(Cl)c1 ZINC000277807943 550716462 /nfs/dbraw/zinc/71/64/62/550716462.db2.gz PUYVCJDLDLTAGE-UHFFFAOYSA-N 1 2 367.902 2.158 20 30 FEEDLO CCOC1CC(CNc2ccc(Cl)c(C#N)n2)([NH+]2CCOCC2)C1 ZINC000277809792 550716650 /nfs/dbraw/zinc/71/66/50/550716650.db2.gz HYLPXJGBHNFTGJ-UHFFFAOYSA-N 1 2 350.850 2.288 20 30 FEEDLO N#C[C@@H]1CC[C@@H]([NH+]2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C1 ZINC000278746415 550817566 /nfs/dbraw/zinc/81/75/66/550817566.db2.gz WUKQOJQGCHVHQV-UKRRQHHQSA-N 1 2 353.875 2.339 20 30 FEEDLO C=CCOc1ccc(/C=C/C(=O)N(C)[C@H](C)C[NH+]2CCOCC2)cc1OC ZINC000279068046 550852852 /nfs/dbraw/zinc/85/28/52/550852852.db2.gz DVXOPZCBMPTCAA-UGAXZCSASA-N 1 2 374.481 2.452 20 30 FEEDLO C[C@@H]1CN(C(=O)c2cc(-c3cccc(C#N)c3)no2)C[C@H]1[NH+]1CCOCC1 ZINC000279132325 550857309 /nfs/dbraw/zinc/85/73/09/550857309.db2.gz XGMFJCKZKNLBKB-RDTXWAMCSA-N 1 2 366.421 2.006 20 30 FEEDLO C#CCn1ccc(C[N@@H+](CC)[C@H](C)C(=O)NCc2cccc(OC)c2)n1 ZINC000279730653 550922148 /nfs/dbraw/zinc/92/21/48/550922148.db2.gz NFIVBTWYKDSQNI-MRXNPFEDSA-N 1 2 354.454 2.052 20 30 FEEDLO C#CCn1ccc(C[N@H+](CC)[C@H](C)C(=O)NCc2cccc(OC)c2)n1 ZINC000279730653 550922149 /nfs/dbraw/zinc/92/21/49/550922149.db2.gz NFIVBTWYKDSQNI-MRXNPFEDSA-N 1 2 354.454 2.052 20 30 FEEDLO C[N@H+](CCN1CCOC(C)(C)C1)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000279810485 550931630 /nfs/dbraw/zinc/93/16/30/550931630.db2.gz XNCIWQFIGQJFLO-UHFFFAOYSA-N 1 2 355.442 2.151 20 30 FEEDLO C[N@@H+](CCN1CCOC(C)(C)C1)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000279810485 550931631 /nfs/dbraw/zinc/93/16/31/550931631.db2.gz XNCIWQFIGQJFLO-UHFFFAOYSA-N 1 2 355.442 2.151 20 30 FEEDLO Cc1nc(N2CCN(C(=O)c3cc(-c4cccc(C#N)c4)no3)CC2)cc[nH+]1 ZINC000279863328 550937321 /nfs/dbraw/zinc/93/73/21/550937321.db2.gz XPBZYDZNUZQHLR-UHFFFAOYSA-N 1 2 374.404 2.274 20 30 FEEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCO[C@@]2(CCO[C@@H]2C)C1 ZINC000280488722 550999481 /nfs/dbraw/zinc/99/94/81/550999481.db2.gz QCSCXYNQNIVNHS-HLIPFELVSA-N 1 2 357.454 2.202 20 30 FEEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCO[C@@]2(CCO[C@@H]2C)C1 ZINC000280488722 550999483 /nfs/dbraw/zinc/99/94/83/550999483.db2.gz QCSCXYNQNIVNHS-HLIPFELVSA-N 1 2 357.454 2.202 20 30 FEEDLO C=CCNC(=O)CN1CC[NH+](CCOc2ccccc2C(F)(F)F)CC1 ZINC000496147437 561492685 /nfs/dbraw/zinc/49/26/85/561492685.db2.gz KWXAMPZYXRTMHQ-UHFFFAOYSA-N 1 2 371.403 2.004 20 30 FEEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)NCCCSc2ccccc2)C1=O ZINC000281445021 551098592 /nfs/dbraw/zinc/09/85/92/551098592.db2.gz UHPDXOZLZOIGSU-QGZVFWFLSA-N 1 2 361.511 2.004 20 30 FEEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)NCCCSc2ccccc2)C1=O ZINC000281445021 551098595 /nfs/dbraw/zinc/09/85/95/551098595.db2.gz UHPDXOZLZOIGSU-QGZVFWFLSA-N 1 2 361.511 2.004 20 30 FEEDLO CC[N@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@@H]1CCNC1=O ZINC000281511836 551106985 /nfs/dbraw/zinc/10/69/85/551106985.db2.gz ABXRNHZKAJPQTF-CQSZACIVSA-N 1 2 360.483 2.038 20 30 FEEDLO CC[N@@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@@H]1CCNC1=O ZINC000281511836 551106987 /nfs/dbraw/zinc/10/69/87/551106987.db2.gz ABXRNHZKAJPQTF-CQSZACIVSA-N 1 2 360.483 2.038 20 30 FEEDLO CC[C@@H](C(=O)N(CCC#N)CC[NH+]1CCOCC1)c1ccc(OC)cc1 ZINC000281554021 551112198 /nfs/dbraw/zinc/11/21/98/551112198.db2.gz JKXOGCKIPZWJFE-LJQANCHMSA-N 1 2 359.470 2.263 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000281848598 551147755 /nfs/dbraw/zinc/14/77/55/551147755.db2.gz RTLPZGRXVVLFBJ-RDJZCZTQSA-N 1 2 364.515 2.342 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000281848598 551147758 /nfs/dbraw/zinc/14/77/58/551147758.db2.gz RTLPZGRXVVLFBJ-RDJZCZTQSA-N 1 2 364.515 2.342 20 30 FEEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)Nc2ccccc2C(F)(F)F)C1=O ZINC000281936401 551159861 /nfs/dbraw/zinc/15/98/61/551159861.db2.gz INOWSLKRDMTVBJ-AWEZNQCLSA-N 1 2 355.360 2.363 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)Nc2ccccc2C(F)(F)F)C1=O ZINC000281936401 551159862 /nfs/dbraw/zinc/15/98/62/551159862.db2.gz INOWSLKRDMTVBJ-AWEZNQCLSA-N 1 2 355.360 2.363 20 30 FEEDLO C[C@H](CC#N)N(C)S(=O)(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000283037619 551301555 /nfs/dbraw/zinc/30/15/55/551301555.db2.gz QZBHTWKTPZEWGU-DOMZBBRYSA-N 1 2 358.895 2.011 20 30 FEEDLO CC(C)(C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)[NH+]1CCOCC1 ZINC000283181918 551324931 /nfs/dbraw/zinc/32/49/31/551324931.db2.gz LNIHRFYDOGMRON-UHFFFAOYSA-N 1 2 357.454 2.039 20 30 FEEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(C)s3)n2C[C@@H]2CCCO2)CC1 ZINC000283616095 551397122 /nfs/dbraw/zinc/39/71/22/551397122.db2.gz XTSWABKAGDQWTC-INIZCTEOSA-N 1 2 371.510 2.249 20 30 FEEDLO C[C@H](NC(=O)C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)c1ccc(C#N)cc1 ZINC000283928699 551451627 /nfs/dbraw/zinc/45/16/27/551451627.db2.gz JJAQWIBRKIOOIE-RLFYNMQTSA-N 1 2 365.437 2.042 20 30 FEEDLO N#Cc1ccc(N2CC[NH+](C[C@H]3CCCS(=O)(=O)C3)CC2)c(Cl)c1 ZINC000284091909 551482073 /nfs/dbraw/zinc/48/20/73/551482073.db2.gz LYFQKNGPASXURP-OAHLLOKOSA-N 1 2 367.902 2.158 20 30 FEEDLO C=CCCCN(C)C(=O)C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1F ZINC000284264648 551510645 /nfs/dbraw/zinc/51/06/45/551510645.db2.gz IWJQCGRKPBKJFG-INIZCTEOSA-N 1 2 358.417 2.189 20 30 FEEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000284830835 551645760 /nfs/dbraw/zinc/64/57/60/551645760.db2.gz OVFXJMIBTMYGRZ-FUHWJXTLSA-N 1 2 358.442 2.282 20 30 FEEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000284830835 551645761 /nfs/dbraw/zinc/64/57/61/551645761.db2.gz OVFXJMIBTMYGRZ-FUHWJXTLSA-N 1 2 358.442 2.282 20 30 FEEDLO N#CCCN(C(=O)C[N@@H+](CCCO)Cc1ccccn1)c1ccccc1 ZINC000287667265 552032293 /nfs/dbraw/zinc/03/22/93/552032293.db2.gz HKHQFLPFAPKNAQ-UHFFFAOYSA-N 1 2 352.438 2.213 20 30 FEEDLO N#CCCN(C(=O)C[N@H+](CCCO)Cc1ccccn1)c1ccccc1 ZINC000287667265 552032295 /nfs/dbraw/zinc/03/22/95/552032295.db2.gz HKHQFLPFAPKNAQ-UHFFFAOYSA-N 1 2 352.438 2.213 20 30 FEEDLO C#C[C@@H](NC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1)C(C)(C)C ZINC000288530363 552169971 /nfs/dbraw/zinc/16/99/71/552169971.db2.gz HKBXWDFRVRVRKZ-GOSISDBHSA-N 1 2 370.497 2.437 20 30 FEEDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)c3cc(C#N)ccn3)CC2)c1 ZINC000288731130 552202513 /nfs/dbraw/zinc/20/25/13/552202513.db2.gz AYDRCRYOZYOQRE-HNNXBMFYSA-N 1 2 350.422 2.481 20 30 FEEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)NC[C@@H](c2ccccc2)C(C)C)C1=O ZINC000499994866 561563657 /nfs/dbraw/zinc/56/36/57/561563657.db2.gz HYWINSOUJPXNEM-RTBURBONSA-N 1 2 357.498 2.261 20 30 FEEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)NC[C@@H](c2ccccc2)C(C)C)C1=O ZINC000499994866 561563658 /nfs/dbraw/zinc/56/36/58/561563658.db2.gz HYWINSOUJPXNEM-RTBURBONSA-N 1 2 357.498 2.261 20 30 FEEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCCN(c3ccc(F)cc3C)C2=O)C1=O ZINC000500012369 561563981 /nfs/dbraw/zinc/56/39/81/561563981.db2.gz OJJVHQPNMFUECA-ZWKOTPCHSA-N 1 2 359.445 2.348 20 30 FEEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H]2CCCN(c3ccc(F)cc3C)C2=O)C1=O ZINC000500012369 561563982 /nfs/dbraw/zinc/56/39/82/561563982.db2.gz OJJVHQPNMFUECA-ZWKOTPCHSA-N 1 2 359.445 2.348 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCCN(c3cc(C)ccc3F)C2=O)C1=O ZINC000500017513 561564253 /nfs/dbraw/zinc/56/42/53/561564253.db2.gz JNBVOXVJIGYLKC-SJORKVTESA-N 1 2 359.445 2.348 20 30 FEEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCCN(c3cc(C)ccc3F)C2=O)C1=O ZINC000500017513 561564254 /nfs/dbraw/zinc/56/42/54/561564254.db2.gz JNBVOXVJIGYLKC-SJORKVTESA-N 1 2 359.445 2.348 20 30 FEEDLO COCCOCC[N@H+](C)CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000289092844 552264998 /nfs/dbraw/zinc/26/49/98/552264998.db2.gz UQIYFEBEJLDLMQ-UHFFFAOYSA-N 1 2 365.499 2.422 20 30 FEEDLO COCCOCC[N@@H+](C)CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000289092844 552264999 /nfs/dbraw/zinc/26/49/99/552264999.db2.gz UQIYFEBEJLDLMQ-UHFFFAOYSA-N 1 2 365.499 2.422 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)cc1 ZINC000289622903 552351648 /nfs/dbraw/zinc/35/16/48/552351648.db2.gz RNNPIZSZAWTTMC-ZWKOTPCHSA-N 1 2 360.479 2.365 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)cc1 ZINC000289622903 552351651 /nfs/dbraw/zinc/35/16/51/552351651.db2.gz RNNPIZSZAWTTMC-ZWKOTPCHSA-N 1 2 360.479 2.365 20 30 FEEDLO C=CCN(CC=C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000289764400 552374895 /nfs/dbraw/zinc/37/48/95/552374895.db2.gz VSPJSFMERKWWRF-SJORKVTESA-N 1 2 363.408 2.027 20 30 FEEDLO C=CCN(CC=C)C(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000289764400 552374898 /nfs/dbraw/zinc/37/48/98/552374898.db2.gz VSPJSFMERKWWRF-SJORKVTESA-N 1 2 363.408 2.027 20 30 FEEDLO N#Cc1ccc(N2CC[C@@H]([N@@H+]3CC[C@@H](n4cc(Cl)cn4)C3)C2=O)cc1 ZINC000289965868 552406732 /nfs/dbraw/zinc/40/67/32/552406732.db2.gz QVOSOUHDNPHJHH-IAGOWNOFSA-N 1 2 355.829 2.460 20 30 FEEDLO N#Cc1ccc(N2CC[C@@H]([N@H+]3CC[C@@H](n4cc(Cl)cn4)C3)C2=O)cc1 ZINC000289965868 552406733 /nfs/dbraw/zinc/40/67/33/552406733.db2.gz QVOSOUHDNPHJHH-IAGOWNOFSA-N 1 2 355.829 2.460 20 30 FEEDLO N#Cc1ccc(N2CC[C@H]([N@@H+]3CC[C@H](n4cc(Cl)cn4)C3)C2=O)cc1 ZINC000289965870 552406909 /nfs/dbraw/zinc/40/69/09/552406909.db2.gz QVOSOUHDNPHJHH-IRXDYDNUSA-N 1 2 355.829 2.460 20 30 FEEDLO N#Cc1ccc(N2CC[C@H]([N@H+]3CC[C@H](n4cc(Cl)cn4)C3)C2=O)cc1 ZINC000289965870 552406910 /nfs/dbraw/zinc/40/69/10/552406910.db2.gz QVOSOUHDNPHJHH-IRXDYDNUSA-N 1 2 355.829 2.460 20 30 FEEDLO Cc1cc[nH+]cc1N1CCN(C(=O)[C@H](C)Oc2ccccc2C#N)CC1 ZINC000500663538 561579003 /nfs/dbraw/zinc/57/90/03/561579003.db2.gz MKJPSUDZGGJXRN-INIZCTEOSA-N 1 2 350.422 2.378 20 30 FEEDLO N#Cc1cncc(S(=O)(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)c1 ZINC000289995421 552411545 /nfs/dbraw/zinc/41/15/45/552411545.db2.gz YRUXNMMSZZKWLJ-MRXNPFEDSA-N 1 2 360.439 2.052 20 30 FEEDLO CCO[C@@H]1C[C@@H]([N@H+](C)CCS(=O)(=O)c2ccc(C#N)cn2)C12CCC2 ZINC000290262949 552450207 /nfs/dbraw/zinc/45/02/07/552450207.db2.gz KVSWFDVGISNROL-HZPDHXFCSA-N 1 2 363.483 2.006 20 30 FEEDLO CCO[C@@H]1C[C@@H]([N@@H+](C)CCS(=O)(=O)c2ccc(C#N)cn2)C12CCC2 ZINC000290262949 552450209 /nfs/dbraw/zinc/45/02/09/552450209.db2.gz KVSWFDVGISNROL-HZPDHXFCSA-N 1 2 363.483 2.006 20 30 FEEDLO CC(C)CCOC1CC[NH+](CCS(=O)(=O)c2ccc(C#N)cn2)CC1 ZINC000290267595 552451074 /nfs/dbraw/zinc/45/10/74/552451074.db2.gz LDQXAZUTMNQYAS-UHFFFAOYSA-N 1 2 365.499 2.254 20 30 FEEDLO COc1cc(F)c(F)cc1NC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000290589783 552502918 /nfs/dbraw/zinc/50/29/18/552502918.db2.gz OKENXZFWFVJMGA-UHFFFAOYSA-N 1 2 368.384 2.053 20 30 FEEDLO CC(=O)c1ccc(NC(=O)C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000292231540 552706768 /nfs/dbraw/zinc/70/67/68/552706768.db2.gz PQEZELONZVHXIB-SFHVURJKSA-N 1 2 364.405 2.248 20 30 FEEDLO CC(=O)c1ccc(NC(=O)C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000292231540 552706770 /nfs/dbraw/zinc/70/67/70/552706770.db2.gz PQEZELONZVHXIB-SFHVURJKSA-N 1 2 364.405 2.248 20 30 FEEDLO CC(C)[C@@H]1C[N@H+](CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)CCCO1 ZINC000293224477 552800838 /nfs/dbraw/zinc/80/08/38/552800838.db2.gz RXHJCFOVAQVPEE-YJBOKZPZSA-N 1 2 368.437 2.259 20 30 FEEDLO CC(C)[C@@H]1C[N@@H+](CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)CCCO1 ZINC000293224477 552800841 /nfs/dbraw/zinc/80/08/41/552800841.db2.gz RXHJCFOVAQVPEE-YJBOKZPZSA-N 1 2 368.437 2.259 20 30 FEEDLO CC(C)[C@H]1C[N@H+](CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)CCCO1 ZINC000293224467 552800915 /nfs/dbraw/zinc/80/09/15/552800915.db2.gz RXHJCFOVAQVPEE-MAUKXSAKSA-N 1 2 368.437 2.259 20 30 FEEDLO CC(C)[C@H]1C[N@@H+](CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)CCCO1 ZINC000293224467 552800916 /nfs/dbraw/zinc/80/09/16/552800916.db2.gz RXHJCFOVAQVPEE-MAUKXSAKSA-N 1 2 368.437 2.259 20 30 FEEDLO C=CCn1c(=O)c2ccc(C(=O)N3CC[C@H](C)C[C@H]3C[NH3+])cc2[nH]c1=S ZINC000293691018 552847792 /nfs/dbraw/zinc/84/77/92/552847792.db2.gz PCFLGSJMADAUGA-JSGCOSHPSA-N 1 2 372.494 2.071 20 30 FEEDLO C#CCCOc1ccc(C[N@@H+](C)Cc2ccccc2S(N)(=O)=O)cc1 ZINC000293890195 552865461 /nfs/dbraw/zinc/86/54/61/552865461.db2.gz KHRUZPDNGHXDNF-UHFFFAOYSA-N 1 2 358.463 2.368 20 30 FEEDLO C#CCCOc1ccc(C[N@H+](C)Cc2ccccc2S(N)(=O)=O)cc1 ZINC000293890195 552865463 /nfs/dbraw/zinc/86/54/63/552865463.db2.gz KHRUZPDNGHXDNF-UHFFFAOYSA-N 1 2 358.463 2.368 20 30 FEEDLO CN(C)c1cc(C#N)cc(C(=O)N2CCN(C3=[NH+]CC(C)(C)S3)CC2)c1 ZINC000294285952 552894088 /nfs/dbraw/zinc/89/40/88/552894088.db2.gz PYVKAJVVYKWSIP-UHFFFAOYSA-N 1 2 371.510 2.263 20 30 FEEDLO C=CCc1ccccc1OC[C@@H](O)C[NH+]1CCN(CC(F)(F)F)CC1 ZINC000501808196 561605763 /nfs/dbraw/zinc/60/57/63/561605763.db2.gz XPKGKSLHBFPXTO-INIZCTEOSA-N 1 2 358.404 2.335 20 30 FEEDLO N#Cc1ccc(SCC(=O)N2CC[NH+](Cc3ccsc3)CC2)nc1 ZINC000501977940 561609267 /nfs/dbraw/zinc/60/92/67/561609267.db2.gz SNELURGBBNCZBJ-UHFFFAOYSA-N 1 2 358.492 2.451 20 30 FEEDLO N#CC[C@@H]1CC[C@H](NC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000296166300 553115310 /nfs/dbraw/zinc/11/53/10/553115310.db2.gz KXEYEUCBYLSGJA-LPHOPBHVSA-N 1 2 356.470 2.400 20 30 FEEDLO Cc1cc(NCCNC(=O)C(=O)Nc2sccc2C#N)nc(C(C)C)[nH+]1 ZINC000600034992 553205953 /nfs/dbraw/zinc/20/59/53/553205953.db2.gz BBWCETNJEBKMBL-UHFFFAOYSA-N 1 2 372.454 2.008 20 30 FEEDLO CN(C)C(=O)O[C@H]1CC[N@H+](CC(=O)Nc2ccccc2SCC#N)C1 ZINC000296773057 553209870 /nfs/dbraw/zinc/20/98/70/553209870.db2.gz PTSNCTRDIXCUEL-ZDUSSCGKSA-N 1 2 362.455 2.013 20 30 FEEDLO CN(C)C(=O)O[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2SCC#N)C1 ZINC000296773057 553209871 /nfs/dbraw/zinc/20/98/71/553209871.db2.gz PTSNCTRDIXCUEL-ZDUSSCGKSA-N 1 2 362.455 2.013 20 30 FEEDLO C=CCOc1ccccc1CNC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000503009729 561632176 /nfs/dbraw/zinc/63/21/76/561632176.db2.gz PMXZXQKIWVJRNF-UHFFFAOYSA-N 1 2 355.442 2.002 20 30 FEEDLO COC1(CCNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCC1 ZINC000297666611 553322396 /nfs/dbraw/zinc/32/23/96/553322396.db2.gz FQRQSWRYKJLYHP-UHFFFAOYSA-N 1 2 356.470 2.345 20 30 FEEDLO C[C@@H](O)CNc1cc(N2CCC(Oc3cccc(C#N)c3)CC2)nc[nH+]1 ZINC000298323643 553412123 /nfs/dbraw/zinc/41/21/23/553412123.db2.gz RMDVIAMWKXRCLH-CQSZACIVSA-N 1 2 353.426 2.189 20 30 FEEDLO C[C@@H](O)CNc1cc(N2CCC(Oc3cccc(C#N)c3)CC2)[nH+]cn1 ZINC000298323643 553412126 /nfs/dbraw/zinc/41/21/26/553412126.db2.gz RMDVIAMWKXRCLH-CQSZACIVSA-N 1 2 353.426 2.189 20 30 FEEDLO N#Cc1cc2c(nc1N1CCN(Cc3cn4ccccc4[nH+]3)CC1)CCC2 ZINC000298688761 553459054 /nfs/dbraw/zinc/45/90/54/553459054.db2.gz COCFLBGXEPHNOB-UHFFFAOYSA-N 1 2 358.449 2.412 20 30 FEEDLO COCC[N@@H+](CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1)CC(C)C ZINC000298746121 553467578 /nfs/dbraw/zinc/46/75/78/553467578.db2.gz LALVHZBEVLOLFX-HNNXBMFYSA-N 1 2 356.426 2.116 20 30 FEEDLO COCC[N@H+](CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1)CC(C)C ZINC000298746121 553467580 /nfs/dbraw/zinc/46/75/80/553467580.db2.gz LALVHZBEVLOLFX-HNNXBMFYSA-N 1 2 356.426 2.116 20 30 FEEDLO N#Cc1cc(F)ccc1N1CC[NH+](CC(=O)N2CCc3ccccc32)CC1 ZINC000301354314 553645168 /nfs/dbraw/zinc/64/51/68/553645168.db2.gz JXGCUODUQIFCGX-UHFFFAOYSA-N 1 2 364.424 2.409 20 30 FEEDLO N#Cc1ccc(OCCNc2cc(N3CCC[C@H](CO)C3)nc[nH+]2)cc1 ZINC000301420516 553650535 /nfs/dbraw/zinc/65/05/35/553650535.db2.gz BYBCKTJKSBHOGA-INIZCTEOSA-N 1 2 353.426 2.048 20 30 FEEDLO N#Cc1ccc(OCCNc2cc(N3CCC[C@H](CO)C3)[nH+]cn2)cc1 ZINC000301420516 553650538 /nfs/dbraw/zinc/65/05/38/553650538.db2.gz BYBCKTJKSBHOGA-INIZCTEOSA-N 1 2 353.426 2.048 20 30 FEEDLO N#Cc1cccc(C#N)c1NCc1ccc[nH+]c1N1CCC(C(N)=O)CC1 ZINC000302385580 553715910 /nfs/dbraw/zinc/71/59/10/553715910.db2.gz AQBONVUKDMHQSL-UHFFFAOYSA-N 1 2 360.421 2.139 20 30 FEEDLO CS(=O)(=O)c1cccnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000302397923 553715928 /nfs/dbraw/zinc/71/59/28/553715928.db2.gz DFZKSGZECRTJDA-UHFFFAOYSA-N 1 2 370.478 2.069 20 30 FEEDLO CS(=O)(=O)c1cccnc1N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000302397923 553715931 /nfs/dbraw/zinc/71/59/31/553715931.db2.gz DFZKSGZECRTJDA-UHFFFAOYSA-N 1 2 370.478 2.069 20 30 FEEDLO CC(C)N1CCC[C@H]([N@@H+]2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)C1=O ZINC000328673924 553805418 /nfs/dbraw/zinc/80/54/18/553805418.db2.gz JKIKOAFCRURNSJ-VHFSOBRXSA-N 1 2 352.438 2.381 20 30 FEEDLO CC(C)N1CCC[C@H]([N@H+]2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)C1=O ZINC000328673924 553805419 /nfs/dbraw/zinc/80/54/19/553805419.db2.gz JKIKOAFCRURNSJ-VHFSOBRXSA-N 1 2 352.438 2.381 20 30 FEEDLO CC[C@H](C(=O)N[C@H]1CCCN(c2cccnc2)C1=O)[N@@H+]1CCO[C@H](CC)C1 ZINC000328764893 553818845 /nfs/dbraw/zinc/81/88/45/553818845.db2.gz GPVDWOQOONLHSP-FGTMMUONSA-N 1 2 374.485 2.423 20 30 FEEDLO CC[C@H](C(=O)N[C@H]1CCCN(c2cccnc2)C1=O)[N@H+]1CCO[C@H](CC)C1 ZINC000328764893 553818847 /nfs/dbraw/zinc/81/88/47/553818847.db2.gz GPVDWOQOONLHSP-FGTMMUONSA-N 1 2 374.485 2.423 20 30 FEEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)Nc3nc4c(s3)CCCCC4)C[C@H]21 ZINC000328827532 553829103 /nfs/dbraw/zinc/82/91/03/553829103.db2.gz ILYNGEDTDVEDMY-ZIAGYGMSSA-N 1 2 350.488 2.362 20 30 FEEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)Nc3nc4c(s3)CCCCC4)C[C@H]21 ZINC000328827532 553829105 /nfs/dbraw/zinc/82/91/05/553829105.db2.gz ILYNGEDTDVEDMY-ZIAGYGMSSA-N 1 2 350.488 2.362 20 30 FEEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)NC[C@@H]3CCC4(CCCCC4)O3)C[C@@H]21 ZINC000328867894 553835968 /nfs/dbraw/zinc/83/59/68/553835968.db2.gz HCFQFQIDLBCUAF-YESZJQIVSA-N 1 2 351.491 2.187 20 30 FEEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)NC[C@@H]3CCC4(CCCCC4)O3)C[C@@H]21 ZINC000328867894 553835970 /nfs/dbraw/zinc/83/59/70/553835970.db2.gz HCFQFQIDLBCUAF-YESZJQIVSA-N 1 2 351.491 2.187 20 30 FEEDLO N#C[C@@H]1CC[C@@H](N2CC[NH+]([C@H]3CCCN(Cc4ccccc4)C3=O)CC2)C1 ZINC000328873203 553836418 /nfs/dbraw/zinc/83/64/18/553836418.db2.gz YUDPSIPBEGKCQV-NJYVYQBISA-N 1 2 366.509 2.487 20 30 FEEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)NCc3nc(C(C)(C)C)cs3)C[C@@H]21 ZINC000328887110 553839274 /nfs/dbraw/zinc/83/92/74/553839274.db2.gz PFTWFQUOXODMPA-QWHCGFSZSA-N 1 2 352.504 2.260 20 30 FEEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)NCc3nc(C(C)(C)C)cs3)C[C@@H]21 ZINC000328887110 553839276 /nfs/dbraw/zinc/83/92/76/553839276.db2.gz PFTWFQUOXODMPA-QWHCGFSZSA-N 1 2 352.504 2.260 20 30 FEEDLO CCC(CC)[C@@H]1C[C@H](NC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)CCO1 ZINC000328899108 553841490 /nfs/dbraw/zinc/84/14/90/553841490.db2.gz XCTBEJLKVRXADJ-BDXSIMOUSA-N 1 2 353.507 2.289 20 30 FEEDLO CCC(CC)[C@@H]1C[C@H](NC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)CCO1 ZINC000328899108 553841493 /nfs/dbraw/zinc/84/14/93/553841493.db2.gz XCTBEJLKVRXADJ-BDXSIMOUSA-N 1 2 353.507 2.289 20 30 FEEDLO C[C@@H]1CN(C(=O)NC[C@@H]2CCCn3cc[nH+]c32)CCN1CC(F)(F)F ZINC000328910421 553843116 /nfs/dbraw/zinc/84/31/16/553843116.db2.gz NLDJFHZZPNABEM-OLZOCXBDSA-N 1 2 359.396 2.243 20 30 FEEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)Nc3ncc(C(F)(F)F)s3)C[C@@H]21 ZINC000328936023 553848573 /nfs/dbraw/zinc/84/85/73/553848573.db2.gz ANMBWDFDERBWPY-DTWKUNHWSA-N 1 2 350.366 2.112 20 30 FEEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)Nc3ncc(C(F)(F)F)s3)C[C@@H]21 ZINC000328936023 553848577 /nfs/dbraw/zinc/84/85/77/553848577.db2.gz ANMBWDFDERBWPY-DTWKUNHWSA-N 1 2 350.366 2.112 20 30 FEEDLO C[N@@H+]1CCO[C@H]2CCN(C(=O)Nc3csc(-c4ccccn4)n3)C[C@@H]21 ZINC000328978023 553857425 /nfs/dbraw/zinc/85/74/25/553857425.db2.gz QOBZCQQJDUWVSW-KBPBESRZSA-N 1 2 359.455 2.156 20 30 FEEDLO C[N@H+]1CCO[C@H]2CCN(C(=O)Nc3csc(-c4ccccn4)n3)C[C@@H]21 ZINC000328978023 553857428 /nfs/dbraw/zinc/85/74/28/553857428.db2.gz QOBZCQQJDUWVSW-KBPBESRZSA-N 1 2 359.455 2.156 20 30 FEEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)[C@@H](C(C)C)N1CCCS1(=O)=O)CCC2 ZINC000328985163 553859080 /nfs/dbraw/zinc/85/90/80/553859080.db2.gz GKGPVVYJNOFKGF-LSDHHAIUSA-N 1 2 368.503 2.086 20 30 FEEDLO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(C(=O)CC[C@H]2CCCO2)CC1 ZINC000329015497 553864998 /nfs/dbraw/zinc/86/49/98/553864998.db2.gz QDQUQJIWENJUJF-NVXWUHKLSA-N 1 2 351.491 2.377 20 30 FEEDLO CC(C)N1C(=O)N[C@@H]2C[N@@H+](CC(=O)Nc3ccc4c(c3)OCCO4)CC[C@@H]21 ZINC000329024387 553866274 /nfs/dbraw/zinc/86/62/74/553866274.db2.gz NFXZWQRVNBLMMF-CABCVRRESA-N 1 2 374.441 2.127 20 30 FEEDLO CC(C)N1C(=O)N[C@@H]2C[N@H+](CC(=O)Nc3ccc4c(c3)OCCO4)CC[C@@H]21 ZINC000329024387 553866276 /nfs/dbraw/zinc/86/62/76/553866276.db2.gz NFXZWQRVNBLMMF-CABCVRRESA-N 1 2 374.441 2.127 20 30 FEEDLO Cc1ccnc(-c2cccc(NC(=O)N3CC[C@@H]4OCC[N@@H+](C)[C@@H]4C3)c2)n1 ZINC000329035589 553868502 /nfs/dbraw/zinc/86/85/02/553868502.db2.gz RBWMPWMMYGUWLU-MSOLQXFVSA-N 1 2 367.453 2.402 20 30 FEEDLO Cc1ccnc(-c2cccc(NC(=O)N3CC[C@@H]4OCC[N@H+](C)[C@@H]4C3)c2)n1 ZINC000329035589 553868504 /nfs/dbraw/zinc/86/85/04/553868504.db2.gz RBWMPWMMYGUWLU-MSOLQXFVSA-N 1 2 367.453 2.402 20 30 FEEDLO Cn1cnnc1[C@@H]1CCCN1C(=O)N[C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000329034008 553868534 /nfs/dbraw/zinc/86/85/34/553868534.db2.gz YAEMQDCTPPYUBP-KGLIPLIRSA-N 1 2 371.489 2.375 20 30 FEEDLO O=C(NCC1CC1)[C@@H]1CSCN1C(=O)C1CC[NH+](CC(F)F)CC1 ZINC000329182518 553897202 /nfs/dbraw/zinc/89/72/02/553897202.db2.gz FEPSVLHNBBDMFC-ZDUSSCGKSA-N 1 2 361.458 2.232 20 30 FEEDLO CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000329224761 553906094 /nfs/dbraw/zinc/90/60/94/553906094.db2.gz CPUFOBPHDDQFNZ-MLHJIOFPSA-N 1 2 353.507 2.147 20 30 FEEDLO Cc1nc([C@@H]2CCCN2C(=O)NC2CCN(c3cccc[nH+]3)CC2)no1 ZINC000329378424 553934849 /nfs/dbraw/zinc/93/48/49/553934849.db2.gz MOQPBWVOEQPSME-HNNXBMFYSA-N 1 2 356.430 2.493 20 30 FEEDLO C[NH+]1CCN(C(=O)c2cc(NC(=O)N3CCC[C@H]4CCC[C@@H]43)ccn2)CC1 ZINC000329436217 553946507 /nfs/dbraw/zinc/94/65/07/553946507.db2.gz LZORGYRBMZYJPO-QAPCUYQASA-N 1 2 371.485 2.279 20 30 FEEDLO C[C@@H]1CCCN(C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)CC1 ZINC000329466299 553951809 /nfs/dbraw/zinc/95/18/09/553951809.db2.gz VOCMOSUJGYYLKE-OAHLLOKOSA-N 1 2 359.474 2.137 20 30 FEEDLO C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1CCO[C@@H](C2CCCCC2)C1 ZINC000329471351 553952486 /nfs/dbraw/zinc/95/24/86/553952486.db2.gz YXEQKMYWDOLWNJ-RHSMWYFYSA-N 1 2 351.491 2.233 20 30 FEEDLO C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+]1CCO[C@@H](C2CCCCC2)C1 ZINC000329471351 553952488 /nfs/dbraw/zinc/95/24/88/553952488.db2.gz YXEQKMYWDOLWNJ-RHSMWYFYSA-N 1 2 351.491 2.233 20 30 FEEDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(C)n([C@H](C)C3CC3)n2)CC1 ZINC000329486446 553955794 /nfs/dbraw/zinc/95/57/94/553955794.db2.gz RBYFFMSLTIFSKH-OAHLLOKOSA-N 1 2 361.490 2.287 20 30 FEEDLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(C)n([C@H](C)C3CC3)n2)CC1 ZINC000329486446 553955800 /nfs/dbraw/zinc/95/58/00/553955800.db2.gz RBYFFMSLTIFSKH-OAHLLOKOSA-N 1 2 361.490 2.287 20 30 FEEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)c1cccn3c(O)nnc13)C2 ZINC000329493764 553957176 /nfs/dbraw/zinc/95/71/76/553957176.db2.gz IEEQVEYJSHLNKW-LLVKDONJSA-N 1 2 354.414 2.249 20 30 FEEDLO Cc1ccc([C@H](CNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)[NH+]2CCOCC2)cc1 ZINC000329495628 553957962 /nfs/dbraw/zinc/95/79/62/553957962.db2.gz FQPQNWBAVSSYCI-LWYYNNOASA-N 1 2 374.481 2.376 20 30 FEEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)Nc3nc4c(s3)CCCC4(C)C)C[C@H]21 ZINC000329510274 553959929 /nfs/dbraw/zinc/95/99/29/553959929.db2.gz JYVUPGNIUMRKGR-VXGBXAGGSA-N 1 2 350.488 2.317 20 30 FEEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)Nc3nc4c(s3)CCCC4(C)C)C[C@H]21 ZINC000329510274 553959930 /nfs/dbraw/zinc/95/99/30/553959930.db2.gz JYVUPGNIUMRKGR-VXGBXAGGSA-N 1 2 350.488 2.317 20 30 FEEDLO C[C@H](c1cccc(NC(=O)N2C[C@@H]3CC[C@@H](O)[C@H]3C2)c1)[NH+]1CCOCC1 ZINC000329579656 553971218 /nfs/dbraw/zinc/97/12/18/553971218.db2.gz UJRYIMDQWQYULL-TWKWOARYSA-N 1 2 359.470 2.328 20 30 FEEDLO C[N@@H+]1CCO[C@H](CNC(=O)Nc2cc(F)ccc2OC[C@H]2CCCO2)C1 ZINC000329620116 553977794 /nfs/dbraw/zinc/97/77/94/553977794.db2.gz UAQNFPZFQXLJBR-HUUCEWRRSA-N 1 2 367.421 2.040 20 30 FEEDLO C[N@H+]1CCO[C@H](CNC(=O)Nc2cc(F)ccc2OC[C@H]2CCCO2)C1 ZINC000329620116 553977796 /nfs/dbraw/zinc/97/77/96/553977796.db2.gz UAQNFPZFQXLJBR-HUUCEWRRSA-N 1 2 367.421 2.040 20 30 FEEDLO Cn1cnc2c(c1=O)CC[N@H+](CC(=O)NC1(c3ccccc3)CCC1)C2 ZINC000329661857 553984695 /nfs/dbraw/zinc/98/46/95/553984695.db2.gz PCYCLQPKOPSOTL-UHFFFAOYSA-N 1 2 352.438 2.174 20 30 FEEDLO Cn1cnc2c(c1=O)CC[N@@H+](CC(=O)NC1(c3ccccc3)CCC1)C2 ZINC000329661857 553984696 /nfs/dbraw/zinc/98/46/96/553984696.db2.gz PCYCLQPKOPSOTL-UHFFFAOYSA-N 1 2 352.438 2.174 20 30 FEEDLO CC1(C)C[N@H+](CC(=O)Nc2cc(-n3cnnn3)ccc2F)[C@H]1[C@H]1CCCO1 ZINC000329797136 554007370 /nfs/dbraw/zinc/00/73/70/554007370.db2.gz XDACELRYFWIQBP-WBVHZDCISA-N 1 2 374.420 2.279 20 30 FEEDLO CC1(C)C[N@@H+](CC(=O)Nc2cc(-n3cnnn3)ccc2F)[C@H]1[C@H]1CCCO1 ZINC000329797136 554007373 /nfs/dbraw/zinc/00/73/73/554007373.db2.gz XDACELRYFWIQBP-WBVHZDCISA-N 1 2 374.420 2.279 20 30 FEEDLO Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNC(=O)N[C@H](C)[C@H]1CCOC1 ZINC000329824396 554012849 /nfs/dbraw/zinc/01/28/49/554012849.db2.gz ZXJCVHIOLZUZER-MEYUZBJRSA-N 1 2 368.453 2.132 20 30 FEEDLO Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNC(=O)N[C@H](C)[C@H]1CCOC1 ZINC000329824396 554012850 /nfs/dbraw/zinc/01/28/50/554012850.db2.gz ZXJCVHIOLZUZER-MEYUZBJRSA-N 1 2 368.453 2.132 20 30 FEEDLO C[C@H]1OCC[C@@]12C[N@H+](CC(=O)NC(=O)N[C@H]1CCCC[C@H]1C)CCO2 ZINC000329920388 554031742 /nfs/dbraw/zinc/03/17/42/554031742.db2.gz DXBUSXSOXTVDRC-ZXFNITATSA-N 1 2 353.463 2.315 20 30 FEEDLO C[C@H]1OCC[C@@]12C[N@@H+](CC(=O)NC(=O)N[C@H]1CCCC[C@H]1C)CCO2 ZINC000329920388 554031744 /nfs/dbraw/zinc/03/17/44/554031744.db2.gz DXBUSXSOXTVDRC-ZXFNITATSA-N 1 2 353.463 2.315 20 30 FEEDLO CCC(=O)N1CC[C@H]([NH+]=C([O-])N[C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)C1 ZINC000329953873 554037912 /nfs/dbraw/zinc/03/79/12/554037912.db2.gz JQUPIGOIXPEXMZ-KGLIPLIRSA-N 1 2 361.490 2.010 20 30 FEEDLO CCC(=O)N1CC[C@H](NC([O-])=[NH+][C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)C1 ZINC000329953873 554037913 /nfs/dbraw/zinc/03/79/13/554037913.db2.gz JQUPIGOIXPEXMZ-KGLIPLIRSA-N 1 2 361.490 2.010 20 30 FEEDLO CCN1CCN(CC(=O)Nc2nc3c(s2)CCC3)C[C@H]1c1[nH]cc[nH+]1 ZINC000329960302 554039089 /nfs/dbraw/zinc/03/90/89/554039089.db2.gz RMWYMHMJDYJIOD-ZDUSSCGKSA-N 1 2 360.487 2.322 20 30 FEEDLO COc1ccc(NC(=O)N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)c(C(F)(F)F)c1 ZINC000329976991 554042175 /nfs/dbraw/zinc/04/21/75/554042175.db2.gz ZFBBTEXAVTXPMC-ZIAGYGMSSA-N 1 2 359.348 2.274 20 30 FEEDLO COc1ccc(NC(=O)N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)c(C(F)(F)F)c1 ZINC000329976991 554042177 /nfs/dbraw/zinc/04/21/77/554042177.db2.gz ZFBBTEXAVTXPMC-ZIAGYGMSSA-N 1 2 359.348 2.274 20 30 FEEDLO Cc1cc(C[N@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)N[C@H]2CCCOCC2)on1 ZINC000329980997 554043238 /nfs/dbraw/zinc/04/32/38/554043238.db2.gz MKTQSUAIAWVSHK-JYJNAYRXSA-N 1 2 368.453 2.310 20 30 FEEDLO Cc1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)N[C@H]2CCCOCC2)on1 ZINC000329980997 554043242 /nfs/dbraw/zinc/04/32/42/554043242.db2.gz MKTQSUAIAWVSHK-JYJNAYRXSA-N 1 2 368.453 2.310 20 30 FEEDLO O=C(N[C@H]1CC[S@@](=O)C1)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000330038413 554053003 /nfs/dbraw/zinc/05/30/03/554053003.db2.gz ZZSMKJIGQGXHNZ-FYSMJZIKSA-N 1 2 369.918 2.283 20 30 FEEDLO O=C(N[C@H]1CC[S@@](=O)C1)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000330038413 554053006 /nfs/dbraw/zinc/05/30/06/554053006.db2.gz ZZSMKJIGQGXHNZ-FYSMJZIKSA-N 1 2 369.918 2.283 20 30 FEEDLO Cc1ccc(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1N1C(=O)CNC1=O ZINC000330041332 554053548 /nfs/dbraw/zinc/05/35/48/554053548.db2.gz CXVTUSKZMCZKFQ-GFCCVEGCSA-N 1 2 353.382 2.303 20 30 FEEDLO CC1(C)C[N@H+](CCNC(=O)NC[C@H]2CCC3(CCCCC3)O2)CCO1 ZINC000330047121 554054639 /nfs/dbraw/zinc/05/46/39/554054639.db2.gz HLJLLAOEOSNSHU-MRXNPFEDSA-N 1 2 353.507 2.483 20 30 FEEDLO CC1(C)C[N@@H+](CCNC(=O)NC[C@H]2CCC3(CCCCC3)O2)CCO1 ZINC000330047121 554054640 /nfs/dbraw/zinc/05/46/40/554054640.db2.gz HLJLLAOEOSNSHU-MRXNPFEDSA-N 1 2 353.507 2.483 20 30 FEEDLO CCCNC(=O)[C@@H]1CCCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000330062779 554057562 /nfs/dbraw/zinc/05/75/62/554057562.db2.gz PNCHDWITCVXDKP-NVXWUHKLSA-N 1 2 351.491 2.235 20 30 FEEDLO CCCNC(=O)[C@@H]1CCCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000330062779 554057563 /nfs/dbraw/zinc/05/75/63/554057563.db2.gz PNCHDWITCVXDKP-NVXWUHKLSA-N 1 2 351.491 2.235 20 30 FEEDLO CN1CC[N@H+](C)[C@H](CNC(=O)N[C@@H]2CC(C)(C)Oc3cc(F)ccc32)C1 ZINC000330081352 554061249 /nfs/dbraw/zinc/06/12/49/554061249.db2.gz PNOWTDMRDRZPKB-GDBMZVCRSA-N 1 2 364.465 2.177 20 30 FEEDLO CN1CC[N@@H+](C)[C@H](CNC(=O)N[C@@H]2CC(C)(C)Oc3cc(F)ccc32)C1 ZINC000330081352 554061251 /nfs/dbraw/zinc/06/12/51/554061251.db2.gz PNOWTDMRDRZPKB-GDBMZVCRSA-N 1 2 364.465 2.177 20 30 FEEDLO Cc1cccc2[nH+]c(CNC(=O)[C@@H](C)S(=O)(=O)C3CCOCC3)cn21 ZINC000330086893 554062148 /nfs/dbraw/zinc/06/21/48/554062148.db2.gz SNAOJVDPQUFEDE-CYBMUJFWSA-N 1 2 365.455 2.082 20 30 FEEDLO Cc1ccc(NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)cc1C(=O)N(C)C(C)C ZINC000330193500 554082354 /nfs/dbraw/zinc/08/23/54/554082354.db2.gz OFXGWIDWHSUKOK-MSOLQXFVSA-N 1 2 374.485 2.036 20 30 FEEDLO Cc1ccc(NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)cc1C(=O)N(C)C(C)C ZINC000330193500 554082359 /nfs/dbraw/zinc/08/23/59/554082359.db2.gz OFXGWIDWHSUKOK-MSOLQXFVSA-N 1 2 374.485 2.036 20 30 FEEDLO O=C(Nc1cc(S(=O)(=O)NC2CC2)ccc1O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000330232484 554089753 /nfs/dbraw/zinc/08/97/53/554089753.db2.gz ROSANVMPMFBONV-HNNXBMFYSA-N 1 2 365.455 2.048 20 30 FEEDLO O=C(Nc1cc(S(=O)(=O)NC2CC2)ccc1O)[C@@H]1CCC[N@H+]1C1CC1 ZINC000330232484 554089756 /nfs/dbraw/zinc/08/97/56/554089756.db2.gz ROSANVMPMFBONV-HNNXBMFYSA-N 1 2 365.455 2.048 20 30 FEEDLO O=C(Nc1nccn1-c1ccccc1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000330236104 554090476 /nfs/dbraw/zinc/09/04/76/554090476.db2.gz HDGGIIFQELJLAX-KRWDZBQOSA-N 1 2 355.442 2.214 20 30 FEEDLO Cn1cc[nH+]c1[C@H]1CN(C(=O)CCNC(=O)C2CCCCC2)CCN1C ZINC000330318612 554104502 /nfs/dbraw/zinc/10/45/02/554104502.db2.gz CMYDGMIZKVQWTH-MRXNPFEDSA-N 1 2 361.490 2.162 20 30 FEEDLO CC1(C)C[S@](=O)CCN1CC(=O)Nc1nc(C[NH+]2CCCC2)cs1 ZINC000330318450 554104596 /nfs/dbraw/zinc/10/45/96/554104596.db2.gz QWYAQCSFNAWUKO-XMMPIXPASA-N 1 2 370.544 2.170 20 30 FEEDLO CC[C@H](NC(=O)N[C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1)C1CCOCC1 ZINC000330341004 554108277 /nfs/dbraw/zinc/10/82/77/554108277.db2.gz YRLSXZPLYHGLIC-HLLBOEOZSA-N 1 2 350.463 2.349 20 30 FEEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)Nc2nc3c(s2)COCC3)CCO1 ZINC000330358857 554110913 /nfs/dbraw/zinc/11/09/13/554110913.db2.gz VLCMOGSWARDSQL-MFKMUULPSA-N 1 2 363.443 2.196 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000330429732 554120672 /nfs/dbraw/zinc/12/06/72/554120672.db2.gz VIJJYAOSUIQQOU-JXFKEZNVSA-N 1 2 353.470 2.123 20 30 FEEDLO COC[C@H]1C[N@H+](CC(=O)NC(=O)Nc2cccc(C)c2C)CC(C)(C)O1 ZINC000330528157 554133634 /nfs/dbraw/zinc/13/36/34/554133634.db2.gz LNLTUFVQSRAHNF-OAHLLOKOSA-N 1 2 363.458 2.091 20 30 FEEDLO COC[C@H]1C[N@@H+](CC(=O)NC(=O)Nc2cccc(C)c2C)CC(C)(C)O1 ZINC000330528157 554133636 /nfs/dbraw/zinc/13/36/36/554133636.db2.gz LNLTUFVQSRAHNF-OAHLLOKOSA-N 1 2 363.458 2.091 20 30 FEEDLO Cc1ccc(NC(=O)NC(=O)C[N@@H+]2CCC[C@H]2[C@H](O)C(F)(F)F)c(C)c1 ZINC000330670988 554154737 /nfs/dbraw/zinc/15/47/37/554154737.db2.gz DWNOZYHATWRGAP-ZFWWWQNUSA-N 1 2 373.375 2.353 20 30 FEEDLO Cc1ccc(NC(=O)NC(=O)C[N@H+]2CCC[C@H]2[C@H](O)C(F)(F)F)c(C)c1 ZINC000330670988 554154738 /nfs/dbraw/zinc/15/47/38/554154738.db2.gz DWNOZYHATWRGAP-ZFWWWQNUSA-N 1 2 373.375 2.353 20 30 FEEDLO Cc1ccc(NC(=O)NC(=O)C[N@@H+]2CCC[C@](O)(C(F)(F)F)C2)c(C)c1 ZINC000330801216 554173431 /nfs/dbraw/zinc/17/34/31/554173431.db2.gz GRDBLPIOKUPQOE-MRXNPFEDSA-N 1 2 373.375 2.354 20 30 FEEDLO Cc1ccc(NC(=O)NC(=O)C[N@H+]2CCC[C@](O)(C(F)(F)F)C2)c(C)c1 ZINC000330801216 554173432 /nfs/dbraw/zinc/17/34/32/554173432.db2.gz GRDBLPIOKUPQOE-MRXNPFEDSA-N 1 2 373.375 2.354 20 30 FEEDLO CNC(=O)N[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)C1 ZINC000330942718 554191712 /nfs/dbraw/zinc/19/17/12/554191712.db2.gz GRRZVBNUHPPTHN-CHWSQXEVSA-N 1 2 352.866 2.492 20 30 FEEDLO CNC(=O)N[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)C1 ZINC000330942718 554191714 /nfs/dbraw/zinc/19/17/14/554191714.db2.gz GRRZVBNUHPPTHN-CHWSQXEVSA-N 1 2 352.866 2.492 20 30 FEEDLO C=CCOc1ccc(CNc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)cc1 ZINC000508482946 561763390 /nfs/dbraw/zinc/76/33/90/561763390.db2.gz GZKHIDSYONZWNO-UHFFFAOYSA-N 1 2 366.465 2.068 20 30 FEEDLO CCCCn1ncc(NC(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)c1C ZINC000331322204 554246965 /nfs/dbraw/zinc/24/69/65/554246965.db2.gz MDOIYLBNPNCSQW-UHFFFAOYSA-N 1 2 350.467 2.469 20 30 FEEDLO C[C@@H]1CCC[C@H](NC(=O)CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000332001350 554360878 /nfs/dbraw/zinc/36/08/78/554360878.db2.gz RGTJPVJPQIYKRS-XLIONFOSSA-N 1 2 354.498 2.371 20 30 FEEDLO Cn1cc[nH+]c1[C@@H]1CCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)C1 ZINC000332078656 554375055 /nfs/dbraw/zinc/37/50/55/554375055.db2.gz HOYOICGVSAOPLK-LLVKDONJSA-N 1 2 350.831 2.123 20 30 FEEDLO Cn1cc[nH+]c1[C@H](NS(=O)(=O)c1ccc(C#N)cc1Cl)C1CC1 ZINC000510459743 561835222 /nfs/dbraw/zinc/83/52/22/561835222.db2.gz LDGAUKANJAZHKR-CQSZACIVSA-N 1 2 350.831 2.375 20 30 FEEDLO CC1(C)CC[N@@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC[S@]1=O ZINC000333728221 554637217 /nfs/dbraw/zinc/63/72/17/554637217.db2.gz STLCRGPMLBWOLT-CRICUBBOSA-N 1 2 359.495 2.287 20 30 FEEDLO CC1(C)CC[N@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC[S@]1=O ZINC000333728221 554637218 /nfs/dbraw/zinc/63/72/18/554637218.db2.gz STLCRGPMLBWOLT-CRICUBBOSA-N 1 2 359.495 2.287 20 30 FEEDLO C=CCOC[C@H]1NC(=O)N(Cc2ccc(N3CCCCCC3)[nH+]c2)C1=O ZINC000348432429 554685221 /nfs/dbraw/zinc/68/52/21/554685221.db2.gz SGHNPTFYWPGPIJ-MRXNPFEDSA-N 1 2 358.442 2.085 20 30 FEEDLO COc1ccccc1CC(=O)N1CCC[N@H+](Cc2ccc(C#N)o2)CC1 ZINC000361155980 554906548 /nfs/dbraw/zinc/90/65/48/554906548.db2.gz YZZJBYFIEMBZRG-UHFFFAOYSA-N 1 2 353.422 2.437 20 30 FEEDLO COc1ccccc1CC(=O)N1CCC[N@@H+](Cc2ccc(C#N)o2)CC1 ZINC000361155980 554906550 /nfs/dbraw/zinc/90/65/50/554906550.db2.gz YZZJBYFIEMBZRG-UHFFFAOYSA-N 1 2 353.422 2.437 20 30 FEEDLO COc1cccc([C@@H](NS(=O)(=O)CCCCC#N)c2[nH+]ccn2C)c1 ZINC000363185246 555048481 /nfs/dbraw/zinc/04/84/81/555048481.db2.gz SRLIHHALLRXPEH-MRXNPFEDSA-N 1 2 362.455 2.131 20 30 FEEDLO N#Cc1ccc(NC(=O)CC[N@@H+]2CCNC(=O)[C@@H]2c2cccs2)cc1 ZINC000363288819 555071699 /nfs/dbraw/zinc/07/16/99/555071699.db2.gz LGYYLQHJDQNLHS-KRWDZBQOSA-N 1 2 354.435 2.121 20 30 FEEDLO N#Cc1ccc(NC(=O)CC[N@H+]2CCNC(=O)[C@@H]2c2cccs2)cc1 ZINC000363288819 555071703 /nfs/dbraw/zinc/07/17/03/555071703.db2.gz LGYYLQHJDQNLHS-KRWDZBQOSA-N 1 2 354.435 2.121 20 30 FEEDLO C[C@H](C(=O)NCC(F)(F)F)[N@@H+]1CCCN(c2ccc(C#N)cc2)CC1 ZINC000363440371 555105962 /nfs/dbraw/zinc/10/59/62/555105962.db2.gz XDINZMYYZPYUBQ-CYBMUJFWSA-N 1 2 354.376 2.137 20 30 FEEDLO C[C@H](C(=O)NCC(F)(F)F)[N@H+]1CCCN(c2ccc(C#N)cc2)CC1 ZINC000363440371 555105966 /nfs/dbraw/zinc/10/59/66/555105966.db2.gz XDINZMYYZPYUBQ-CYBMUJFWSA-N 1 2 354.376 2.137 20 30 FEEDLO CC(C)NC(=O)C[N@@H+]1CCCN(c2nc(C(F)(F)F)ccc2C#N)CC1 ZINC000364829028 555409760 /nfs/dbraw/zinc/40/97/60/555409760.db2.gz PXCWUPCZXLBDMJ-UHFFFAOYSA-N 1 2 369.391 2.009 20 30 FEEDLO CC(C)NC(=O)C[N@H+]1CCCN(c2nc(C(F)(F)F)ccc2C#N)CC1 ZINC000364829028 555409762 /nfs/dbraw/zinc/40/97/62/555409762.db2.gz PXCWUPCZXLBDMJ-UHFFFAOYSA-N 1 2 369.391 2.009 20 30 FEEDLO C#CCn1ccc(C[N@H+](CC)CCN2c3ccccc3O[C@H](C)C2=O)n1 ZINC000364881729 555424007 /nfs/dbraw/zinc/42/40/07/555424007.db2.gz APWKCCRXYWYBMI-MRXNPFEDSA-N 1 2 352.438 2.152 20 30 FEEDLO C#CCn1ccc(C[N@@H+](CC)CCN2c3ccccc3O[C@H](C)C2=O)n1 ZINC000364881729 555424011 /nfs/dbraw/zinc/42/40/11/555424011.db2.gz APWKCCRXYWYBMI-MRXNPFEDSA-N 1 2 352.438 2.152 20 30 FEEDLO N#Cc1ccc(NCC(=O)N2CC[NH2+][C@H](c3ccccc3Cl)C2)nc1 ZINC000619777612 555832782 /nfs/dbraw/zinc/83/27/82/555832782.db2.gz OIOXJRLDOMVOKG-INIZCTEOSA-N 1 2 355.829 2.192 20 30 FEEDLO C=CCN1CC[C@@H]([NH+]2CCN(c3cc(C(F)(F)F)ccn3)CC2)C1=O ZINC000366910489 555967065 /nfs/dbraw/zinc/96/70/65/555967065.db2.gz SWNOCFSDCUICMV-CQSZACIVSA-N 1 2 354.376 2.009 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1NC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000514713800 561975571 /nfs/dbraw/zinc/97/55/71/561975571.db2.gz DSMLZWPXTSFITJ-QYZOEREBSA-N 1 2 359.470 2.011 20 30 FEEDLO COC(=O)c1ccccc1C[NH+]1CCN(c2snc(C)c2C#N)CC1 ZINC000514759928 561977966 /nfs/dbraw/zinc/97/79/66/561977966.db2.gz CAGACLLFXDZMCA-UHFFFAOYSA-N 1 2 356.451 2.432 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@H](c3nccs3)C2)nc1 ZINC000368005249 556193364 /nfs/dbraw/zinc/19/33/64/556193364.db2.gz HVZQQUZEBFOZOF-AWEZNQCLSA-N 1 2 362.480 2.063 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@H](c3nccs3)C2)nc1 ZINC000368005249 556193367 /nfs/dbraw/zinc/19/33/67/556193367.db2.gz HVZQQUZEBFOZOF-AWEZNQCLSA-N 1 2 362.480 2.063 20 30 FEEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000368467015 556318449 /nfs/dbraw/zinc/31/84/49/556318449.db2.gz UHMCLSKTXDCBPR-IDCJVQTKSA-N 1 2 372.444 2.047 20 30 FEEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000368467015 556318452 /nfs/dbraw/zinc/31/84/52/556318452.db2.gz UHMCLSKTXDCBPR-IDCJVQTKSA-N 1 2 372.444 2.047 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+](C)[C@H]2CCCCNC2=O)c1 ZINC000368895700 556441469 /nfs/dbraw/zinc/44/14/69/556441469.db2.gz ZSSFSKKBXXGKBM-SFHVURJKSA-N 1 2 356.470 2.151 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](C)[C@H]2CCCCNC2=O)c1 ZINC000368895700 556441473 /nfs/dbraw/zinc/44/14/73/556441473.db2.gz ZSSFSKKBXXGKBM-SFHVURJKSA-N 1 2 356.470 2.151 20 30 FEEDLO C=CCNC(=O)NC(=O)C[N@@H+](C)[C@@H](c1ccc(C)cc1)c1ccccn1 ZINC000369120851 556509974 /nfs/dbraw/zinc/50/99/74/556509974.db2.gz ZJYZFCTWLFTGPK-IBGZPJMESA-N 1 2 352.438 2.423 20 30 FEEDLO C=CCNC(=O)NC(=O)C[N@H+](C)[C@@H](c1ccc(C)cc1)c1ccccn1 ZINC000369120851 556509975 /nfs/dbraw/zinc/50/99/75/556509975.db2.gz ZJYZFCTWLFTGPK-IBGZPJMESA-N 1 2 352.438 2.423 20 30 FEEDLO C=CCN1CC[C@@H](N(C)C(=O)NCc2cccc(-c3[nH+]ccn3C)c2)C1=O ZINC000369164830 556523023 /nfs/dbraw/zinc/52/30/23/556523023.db2.gz HAEHBBHWKRYYTO-QGZVFWFLSA-N 1 2 367.453 2.015 20 30 FEEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCCN(C(=O)c2ccoc2)CC1 ZINC000369384439 556586451 /nfs/dbraw/zinc/58/64/51/556586451.db2.gz CWMBPJCKZDKFOF-HNNXBMFYSA-N 1 2 366.421 2.326 20 30 FEEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCCN(C(=O)c2ccoc2)CC1 ZINC000369384439 556586452 /nfs/dbraw/zinc/58/64/52/556586452.db2.gz CWMBPJCKZDKFOF-HNNXBMFYSA-N 1 2 366.421 2.326 20 30 FEEDLO CCN1C(=O)[C@@H]2C[N@H+](CC#Cc3ccc(C(F)(F)F)cc3)CCN2C1=O ZINC000369453124 556604072 /nfs/dbraw/zinc/60/40/72/556604072.db2.gz SKRLGIRXYKHSOC-HNNXBMFYSA-N 1 2 365.355 2.025 20 30 FEEDLO CCN1C(=O)[C@@H]2C[N@@H+](CC#Cc3ccc(C(F)(F)F)cc3)CCN2C1=O ZINC000369453124 556604074 /nfs/dbraw/zinc/60/40/74/556604074.db2.gz SKRLGIRXYKHSOC-HNNXBMFYSA-N 1 2 365.355 2.025 20 30 FEEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+]1CCCO[C@H]2CCC[C@@H]21 ZINC000369456484 556604279 /nfs/dbraw/zinc/60/42/79/556604279.db2.gz GBPGRIBCFAMWPP-ROUUACIJSA-N 1 2 365.437 2.326 20 30 FEEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+]1CCCO[C@H]2CCC[C@@H]21 ZINC000369456484 556604280 /nfs/dbraw/zinc/60/42/80/556604280.db2.gz GBPGRIBCFAMWPP-ROUUACIJSA-N 1 2 365.437 2.326 20 30 FEEDLO N#CCOc1ccc(CNC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000369476321 556607394 /nfs/dbraw/zinc/60/73/94/556607394.db2.gz KGXZPLPGTYPGQP-GOSISDBHSA-N 1 2 352.394 2.347 20 30 FEEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](C(=O)N2CCCCC2)C1 ZINC000370226762 556816096 /nfs/dbraw/zinc/81/60/96/556816096.db2.gz DOJMKSJALQLATM-RBUKOAKNSA-N 1 2 369.465 2.497 20 30 FEEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](C(=O)N2CCCCC2)C1 ZINC000370226762 556816098 /nfs/dbraw/zinc/81/60/98/556816098.db2.gz DOJMKSJALQLATM-RBUKOAKNSA-N 1 2 369.465 2.497 20 30 FEEDLO C#CCCCS(=O)(=O)N1CCc2c([nH+]cn2CCc2ccccc2)C1 ZINC000370666764 556935091 /nfs/dbraw/zinc/93/50/91/556935091.db2.gz ISKNWQBETBAZIZ-UHFFFAOYSA-N 1 2 357.479 2.227 20 30 FEEDLO CN(C)c1ccc(NC(=O)C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000370730548 556951482 /nfs/dbraw/zinc/95/14/82/556951482.db2.gz OZPYSUWRXQYLKI-GOSISDBHSA-N 1 2 365.437 2.111 20 30 FEEDLO CN(C)c1ccc(NC(=O)C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000370730548 556951485 /nfs/dbraw/zinc/95/14/85/556951485.db2.gz OZPYSUWRXQYLKI-GOSISDBHSA-N 1 2 365.437 2.111 20 30 FEEDLO Cc1oc(NC(=O)C[N@H+]2CCC[C@H]2C[C@H](O)c2cnn(C)c2)c(C#N)c1C ZINC000371334234 557149772 /nfs/dbraw/zinc/14/97/72/557149772.db2.gz DQSKAAZPICKPOI-RDJZCZTQSA-N 1 2 371.441 2.028 20 30 FEEDLO Cc1oc(NC(=O)C[N@@H+]2CCC[C@H]2C[C@H](O)c2cnn(C)c2)c(C#N)c1C ZINC000371334234 557149776 /nfs/dbraw/zinc/14/97/76/557149776.db2.gz DQSKAAZPICKPOI-RDJZCZTQSA-N 1 2 371.441 2.028 20 30 FEEDLO N#Cc1cc2c(nc1NC[C@@]1([NH+]3CCOCC3)CCCOC1)CCCC2 ZINC000371386166 557169508 /nfs/dbraw/zinc/16/95/08/557169508.db2.gz XLZYYGSQWOYMRC-FQEVSTJZSA-N 1 2 356.470 2.125 20 30 FEEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCOC3(CCOCC3)CC2)c(C#N)c1C ZINC000372204819 557408658 /nfs/dbraw/zinc/40/86/58/557408658.db2.gz LILHRFNLXVEMOW-AWEZNQCLSA-N 1 2 361.442 2.367 20 30 FEEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CCOC3(CCOCC3)CC2)c(C#N)c1C ZINC000372204819 557408662 /nfs/dbraw/zinc/40/86/62/557408662.db2.gz LILHRFNLXVEMOW-AWEZNQCLSA-N 1 2 361.442 2.367 20 30 FEEDLO COC(=O)c1cccc(C[N@@H+]2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)c1 ZINC000374363637 557871855 /nfs/dbraw/zinc/87/18/55/557871855.db2.gz CPCKWSPURVRIAT-IERDGZPVSA-N 1 2 361.401 2.319 20 30 FEEDLO COC(=O)c1cccc(C[N@H+]2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)c1 ZINC000374363637 557871856 /nfs/dbraw/zinc/87/18/56/557871856.db2.gz CPCKWSPURVRIAT-IERDGZPVSA-N 1 2 361.401 2.319 20 30 FEEDLO N#CCOc1ccc(CC(=O)N2CC[NH2+][C@H](c3cccc(F)c3)C2)cc1 ZINC000374377801 557874750 /nfs/dbraw/zinc/87/47/50/557874750.db2.gz NWUDCKWDAVTFBS-IBGZPJMESA-N 1 2 353.397 2.444 20 30 FEEDLO CN(C)c1[nH+]cccc1CNC(=O)N1CCC(C#N)(c2ccccn2)CC1 ZINC000374420418 557881579 /nfs/dbraw/zinc/88/15/79/557881579.db2.gz BTANDYXIJWXFMD-UHFFFAOYSA-N 1 2 364.453 2.310 20 30 FEEDLO CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000375756332 558077684 /nfs/dbraw/zinc/07/76/84/558077684.db2.gz HLVPEFGBFROVCP-UHFFFAOYSA-N 1 2 368.441 2.183 20 30 FEEDLO CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000375756332 558077686 /nfs/dbraw/zinc/07/76/86/558077686.db2.gz HLVPEFGBFROVCP-UHFFFAOYSA-N 1 2 368.441 2.183 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@](O)(c3ccc(F)cc3)C2)cc1 ZINC000375962467 558105852 /nfs/dbraw/zinc/10/58/52/558105852.db2.gz ODXYEMZTGBBPSD-LJQANCHMSA-N 1 2 374.437 2.065 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@](O)(c3ccc(F)cc3)C2)cc1 ZINC000375962467 558105853 /nfs/dbraw/zinc/10/58/53/558105853.db2.gz ODXYEMZTGBBPSD-LJQANCHMSA-N 1 2 374.437 2.065 20 30 FEEDLO CC[C@@H]1C[N@@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@]2(CCCOC2)O1 ZINC000376016938 558114313 /nfs/dbraw/zinc/11/43/13/558114313.db2.gz ZFUQHBKMWCFRQC-DYXWJJEUSA-N 1 2 369.465 2.324 20 30 FEEDLO CC[C@@H]1C[N@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@]2(CCCOC2)O1 ZINC000376016938 558114316 /nfs/dbraw/zinc/11/43/16/558114316.db2.gz ZFUQHBKMWCFRQC-DYXWJJEUSA-N 1 2 369.465 2.324 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)NC2CC[NH+](Cc3ccccc3F)CC2)o1 ZINC000376286522 558152730 /nfs/dbraw/zinc/15/27/30/558152730.db2.gz CUEOVBJKSIFHFR-UHFFFAOYSA-N 1 2 363.414 2.233 20 30 FEEDLO C=CC[N@@H+](Cc1nnnn1CCCC)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000521808509 562183752 /nfs/dbraw/zinc/18/37/52/562183752.db2.gz IJVXGKUOJVMQTO-HNNXBMFYSA-N 1 2 367.461 2.198 20 30 FEEDLO C=CC[N@H+](Cc1nnnn1CCCC)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000521808509 562183753 /nfs/dbraw/zinc/18/37/53/562183753.db2.gz IJVXGKUOJVMQTO-HNNXBMFYSA-N 1 2 367.461 2.198 20 30 FEEDLO Cc1nc(C[N@@H+](C)[C@H]2CCCN(c3nccc(C#N)c3[N+](=O)[O-])CC2)no1 ZINC000376689331 558208873 /nfs/dbraw/zinc/20/88/73/558208873.db2.gz MPPYEYXKWNJGAT-AWEZNQCLSA-N 1 2 371.401 2.044 20 30 FEEDLO Cc1nc(C[N@H+](C)[C@H]2CCCN(c3nccc(C#N)c3[N+](=O)[O-])CC2)no1 ZINC000376689331 558208875 /nfs/dbraw/zinc/20/88/75/558208875.db2.gz MPPYEYXKWNJGAT-AWEZNQCLSA-N 1 2 371.401 2.044 20 30 FEEDLO C#CCC1(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)CCCCC1 ZINC000376984441 558248073 /nfs/dbraw/zinc/24/80/73/558248073.db2.gz ANQWBHLDXLCGEE-LJQANCHMSA-N 1 2 350.528 2.284 20 30 FEEDLO C#CCCCCC(=O)N1CC[NH+]([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000377123283 558270970 /nfs/dbraw/zinc/27/09/70/558270970.db2.gz PDCXPXXIRZXKHE-KRWDZBQOSA-N 1 2 363.502 2.334 20 30 FEEDLO C#CCC(C)(C)C(=O)N1CC[NH+]([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000377129259 558272505 /nfs/dbraw/zinc/27/25/05/558272505.db2.gz NFKWGUZLBRQWEG-INIZCTEOSA-N 1 2 363.502 2.190 20 30 FEEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000522066575 562190843 /nfs/dbraw/zinc/19/08/43/562190843.db2.gz NCRGIVJFRAZGHH-HNNXBMFYSA-N 1 2 366.421 2.196 20 30 FEEDLO C[C@H]1COCC[N@H+]1CCNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000522066575 562190844 /nfs/dbraw/zinc/19/08/44/562190844.db2.gz NCRGIVJFRAZGHH-HNNXBMFYSA-N 1 2 366.421 2.196 20 30 FEEDLO Cc1ccc(C2CC[NH+](CCS(=O)(=O)c3ccc(C#N)cn3)CC2)cn1 ZINC000377595775 558373624 /nfs/dbraw/zinc/37/36/24/558373624.db2.gz VEOLNUQWSXZVOP-UHFFFAOYSA-N 1 2 370.478 2.310 20 30 FEEDLO N#Cc1ccc(CN2CCN(C(=O)Nc3ccn4cc[nH+]c4c3)CC2=O)cc1 ZINC000377812374 558425167 /nfs/dbraw/zinc/42/51/67/558425167.db2.gz VWFCTPQOMMQCIY-UHFFFAOYSA-N 1 2 374.404 2.082 20 30 FEEDLO C#CC[C@]1(C(=O)N2CCn3cc(C)[nH+]c3C2)CCCN1C(=O)OC(C)(C)C ZINC000377900927 558444642 /nfs/dbraw/zinc/44/46/42/558444642.db2.gz FFHMDRLJRYIAEV-HXUWFJFHSA-N 1 2 372.469 2.327 20 30 FEEDLO C[C@@H]1C[N@H+](CCNC(=O)c2occc2COc2cccc(C#N)c2)CCO1 ZINC000523283872 562210437 /nfs/dbraw/zinc/21/04/37/562210437.db2.gz HLJCQZKMXZDKDI-OAHLLOKOSA-N 1 2 369.421 2.181 20 30 FEEDLO C[C@@H]1C[N@@H+](CCNC(=O)c2occc2COc2cccc(C#N)c2)CCO1 ZINC000523283872 562210438 /nfs/dbraw/zinc/21/04/38/562210438.db2.gz HLJCQZKMXZDKDI-OAHLLOKOSA-N 1 2 369.421 2.181 20 30 FEEDLO N#C[C@@H]1C[N@@H+](C[C@@H](O)c2ccccc2F)C[C@@]12C(=O)Nc1ccccc12 ZINC000378259278 558513892 /nfs/dbraw/zinc/51/38/92/558513892.db2.gz LKBAQGMLTFOVQL-CFSSXQINSA-N 1 2 351.381 2.205 20 30 FEEDLO N#C[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2F)C[C@@]12C(=O)Nc1ccccc12 ZINC000378259278 558513894 /nfs/dbraw/zinc/51/38/94/558513894.db2.gz LKBAQGMLTFOVQL-CFSSXQINSA-N 1 2 351.381 2.205 20 30 FEEDLO COc1ccc(CC(=O)N2CCC[N@H+](Cc3ccc(C#N)o3)CC2)cc1 ZINC000378352558 558536588 /nfs/dbraw/zinc/53/65/88/558536588.db2.gz WJKPRGGMLLVJDT-UHFFFAOYSA-N 1 2 353.422 2.437 20 30 FEEDLO COc1ccc(CC(=O)N2CCC[N@@H+](Cc3ccc(C#N)o3)CC2)cc1 ZINC000378352558 558536590 /nfs/dbraw/zinc/53/65/90/558536590.db2.gz WJKPRGGMLLVJDT-UHFFFAOYSA-N 1 2 353.422 2.437 20 30 FEEDLO C[C@@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000408084274 558644814 /nfs/dbraw/zinc/64/48/14/558644814.db2.gz OBFXYYNLUSIBAQ-WDEREUQCSA-N 1 2 372.288 2.034 20 30 FEEDLO C[C@@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000408084274 558644816 /nfs/dbraw/zinc/64/48/16/558644816.db2.gz OBFXYYNLUSIBAQ-WDEREUQCSA-N 1 2 372.288 2.034 20 30 FEEDLO CCN(C[C@@H](C)C#N)S(=O)(=O)NCCC[N@H+](CC)c1ccccc1 ZINC000409573245 558704121 /nfs/dbraw/zinc/70/41/21/558704121.db2.gz FNZVUCPMCZAIRW-INIZCTEOSA-N 1 2 352.504 2.219 20 30 FEEDLO CCN(C[C@@H](C)C#N)S(=O)(=O)NCCC[N@@H+](CC)c1ccccc1 ZINC000409573245 558704124 /nfs/dbraw/zinc/70/41/24/558704124.db2.gz FNZVUCPMCZAIRW-INIZCTEOSA-N 1 2 352.504 2.219 20 30 FEEDLO C=CC[C@H]1N(C(=O)C(=O)N2CC[C@H](c3[nH+]ccn3C)C2)CCCC1(C)C ZINC000411003565 558831194 /nfs/dbraw/zinc/83/11/94/558831194.db2.gz OJRIUIFEBTXDMF-JKSUJKDBSA-N 1 2 358.486 2.329 20 30 FEEDLO C[C@H]1CN(C(=O)C(=O)Nc2cccc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000411824053 558970772 /nfs/dbraw/zinc/97/07/72/558970772.db2.gz VRGUSEGNFYNWGB-INIZCTEOSA-N 1 2 362.433 2.230 20 30 FEEDLO C[C@H]1CN(C(=O)C(=O)Nc2cccc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000411824053 558970775 /nfs/dbraw/zinc/97/07/75/558970775.db2.gz VRGUSEGNFYNWGB-INIZCTEOSA-N 1 2 362.433 2.230 20 30 FEEDLO C[C@@H](O)[C@@H]1CCN(c2cc(NCCOc3ccc(C#N)cc3)[nH+]cn2)C1 ZINC000413174747 559085511 /nfs/dbraw/zinc/08/55/11/559085511.db2.gz QEXQFXAXLBDJPV-GDBMZVCRSA-N 1 2 353.426 2.046 20 30 FEEDLO C[C@@H](O)[C@@H]1CCN(c2cc(NCCOc3ccc(C#N)cc3)nc[nH+]2)C1 ZINC000413174747 559085512 /nfs/dbraw/zinc/08/55/12/559085512.db2.gz QEXQFXAXLBDJPV-GDBMZVCRSA-N 1 2 353.426 2.046 20 30 FEEDLO Cc1cc2nnc(SC[C@@H](O)C[N@H+](C)CCC#N)n2c2ccccc12 ZINC000414098958 559149236 /nfs/dbraw/zinc/14/92/36/559149236.db2.gz PYPGOXDOGNKKFT-AWEZNQCLSA-N 1 2 355.467 2.489 20 30 FEEDLO Cc1cc2nnc(SC[C@@H](O)C[N@@H+](C)CCC#N)n2c2ccccc12 ZINC000414098958 559149237 /nfs/dbraw/zinc/14/92/37/559149237.db2.gz PYPGOXDOGNKKFT-AWEZNQCLSA-N 1 2 355.467 2.489 20 30 FEEDLO C[N@H+](CCC#N)C[C@H](O)CN1C(=O)CC2(CCC(C(C)(C)C)CC2)C1=O ZINC000414139412 559150594 /nfs/dbraw/zinc/15/05/94/559150594.db2.gz JINMLBMMEHNPNX-NGEICVOHSA-N 1 2 363.502 2.174 20 30 FEEDLO C[N@@H+](CCC#N)C[C@H](O)CN1C(=O)CC2(CCC(C(C)(C)C)CC2)C1=O ZINC000414139412 559150596 /nfs/dbraw/zinc/15/05/96/559150596.db2.gz JINMLBMMEHNPNX-NGEICVOHSA-N 1 2 363.502 2.174 20 30 FEEDLO C[N@H+](CCC#N)C[C@@H](O)COc1ccc(-c2noc([C@H]3CCCO3)n2)cc1 ZINC000414148021 559150851 /nfs/dbraw/zinc/15/08/51/559150851.db2.gz MZOBSDQDWXYKHF-NVXWUHKLSA-N 1 2 372.425 2.173 20 30 FEEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1ccc(-c2noc([C@H]3CCCO3)n2)cc1 ZINC000414148021 559150852 /nfs/dbraw/zinc/15/08/52/559150852.db2.gz MZOBSDQDWXYKHF-NVXWUHKLSA-N 1 2 372.425 2.173 20 30 FEEDLO CCN1CCN(CC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000527068513 562275435 /nfs/dbraw/zinc/27/54/35/562275435.db2.gz RMKWBKAAQNDFFC-MRXNPFEDSA-N 1 2 372.860 2.252 20 30 FEEDLO CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1S(=O)(=O)[C@@H](C)C#N ZINC000416447145 559313444 /nfs/dbraw/zinc/31/34/44/559313444.db2.gz QYJLBJUWCGTFCR-ZVZYQTTQSA-N 1 2 364.515 2.164 20 30 FEEDLO CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1S(=O)(=O)[C@@H](C)C#N ZINC000416447145 559313445 /nfs/dbraw/zinc/31/34/45/559313445.db2.gz QYJLBJUWCGTFCR-ZVZYQTTQSA-N 1 2 364.515 2.164 20 30 FEEDLO CC[N@@H+]1CC[C@H](NS(=O)(=O)[C@H](C)C#N)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000416460092 559314575 /nfs/dbraw/zinc/31/45/75/559314575.db2.gz UOCBMMIZCDMOQW-ZDBHGNHJSA-N 1 2 361.389 2.071 20 30 FEEDLO CC[N@H+]1CC[C@H](NS(=O)(=O)[C@H](C)C#N)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000416460092 559314576 /nfs/dbraw/zinc/31/45/76/559314576.db2.gz UOCBMMIZCDMOQW-ZDBHGNHJSA-N 1 2 361.389 2.071 20 30 FEEDLO CCOc1ccc(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)c(F)c1 ZINC000417471689 559363383 /nfs/dbraw/zinc/36/33/83/559363383.db2.gz GPVUSKHMFAHRQW-UHFFFAOYSA-N 1 2 364.421 2.304 20 30 FEEDLO C[C@@H](c1nc(-c2ccccc2)no1)[NH+]1CCN(c2cncc(C#N)n2)CC1 ZINC000420583508 559492934 /nfs/dbraw/zinc/49/29/34/559492934.db2.gz JAZYATMTOOLQNE-AWEZNQCLSA-N 1 2 361.409 2.281 20 30 FEEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)NCc1ccc[nH+]c1N(C)C ZINC000421522379 559544305 /nfs/dbraw/zinc/54/43/05/559544305.db2.gz ZMOWLBLZZIHUPT-SFHVURJKSA-N 1 2 366.465 2.067 20 30 FEEDLO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000422533772 559593365 /nfs/dbraw/zinc/59/33/65/559593365.db2.gz XWDXCPRYXQAYHQ-ZWKOTPCHSA-N 1 2 366.465 2.419 20 30 FEEDLO C=CCCn1cc(C(=O)N2CC[NH+]([C@@H](C)c3cccc(OC)c3)CC2)nn1 ZINC000424652057 559672332 /nfs/dbraw/zinc/67/23/32/559672332.db2.gz VZGOCBLZOTWMPY-INIZCTEOSA-N 1 2 369.469 2.382 20 30 FEEDLO Cc1cc(N2CCN(C(=O)COc3ccc(F)cc3)CC2)c(C#N)c[nH+]1 ZINC000425208837 559691455 /nfs/dbraw/zinc/69/14/55/559691455.db2.gz QGEDYJGJWRIMST-UHFFFAOYSA-N 1 2 354.385 2.128 20 30 FEEDLO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)NCCCNc1cccc[nH+]1 ZINC000425870304 559723475 /nfs/dbraw/zinc/72/34/75/559723475.db2.gz LEUYFJHBAPPLPG-HNNXBMFYSA-N 1 2 365.437 2.091 20 30 FEEDLO C=C[C@@H](CO)NC(=O)c1cccc(OCc2cn3cc(C)ccc3[nH+]2)c1 ZINC000426848058 559742917 /nfs/dbraw/zinc/74/29/17/559742917.db2.gz KYJNCOLOEIOTBO-INIZCTEOSA-N 1 2 351.406 2.498 20 30 FEEDLO N#Cc1cnc(C(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)c(Cl)c1 ZINC000427910345 559765193 /nfs/dbraw/zinc/76/51/93/559765193.db2.gz WZTDCNKAEJQGEQ-KRWDZBQOSA-N 1 2 370.840 2.410 20 30 FEEDLO C[C@](C#N)(NC(=O)C[N@H+](CCc1ccccn1)Cc1cccnc1)C1CC1 ZINC000430336561 559818041 /nfs/dbraw/zinc/81/80/41/559818041.db2.gz JVKWWMRNGXSDLE-OAQYLSRUSA-N 1 2 363.465 2.330 20 30 FEEDLO C[C@](C#N)(NC(=O)C[N@@H+](CCc1ccccn1)Cc1cccnc1)C1CC1 ZINC000430336561 559818042 /nfs/dbraw/zinc/81/80/42/559818042.db2.gz JVKWWMRNGXSDLE-OAQYLSRUSA-N 1 2 363.465 2.330 20 30 FEEDLO C[N@@H+]1CCO[C@H](CN(CC2CC2)C(=O)c2cccc(SCC#N)c2)C1 ZINC000434671544 559905472 /nfs/dbraw/zinc/90/54/72/559905472.db2.gz VFDFIAGSLCYTLQ-KRWDZBQOSA-N 1 2 359.495 2.485 20 30 FEEDLO C[N@H+]1CCO[C@H](CN(CC2CC2)C(=O)c2cccc(SCC#N)c2)C1 ZINC000434671544 559905473 /nfs/dbraw/zinc/90/54/73/559905473.db2.gz VFDFIAGSLCYTLQ-KRWDZBQOSA-N 1 2 359.495 2.485 20 30 FEEDLO C[N@@H+]1CCO[C@@H](CN(CC2CC2)C(=O)c2cccc(SCC#N)c2)C1 ZINC000434671545 559905570 /nfs/dbraw/zinc/90/55/70/559905570.db2.gz VFDFIAGSLCYTLQ-QGZVFWFLSA-N 1 2 359.495 2.485 20 30 FEEDLO C[N@H+]1CCO[C@@H](CN(CC2CC2)C(=O)c2cccc(SCC#N)c2)C1 ZINC000434671545 559905571 /nfs/dbraw/zinc/90/55/71/559905571.db2.gz VFDFIAGSLCYTLQ-QGZVFWFLSA-N 1 2 359.495 2.485 20 30 FEEDLO Cc1cccn2cc(C[S@@](=O)CC(=O)NCc3ccc(C#N)cc3)[nH+]c12 ZINC000437164068 559961179 /nfs/dbraw/zinc/96/11/79/559961179.db2.gz AENQKRNUBILZKK-AREMUKBSSA-N 1 2 366.446 2.080 20 30 FEEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000437525157 559965563 /nfs/dbraw/zinc/96/55/63/559965563.db2.gz OMQKKUGGBMGPHI-IIBYNOLFSA-N 1 2 374.481 2.159 20 30 FEEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000437525157 559965564 /nfs/dbraw/zinc/96/55/64/559965564.db2.gz OMQKKUGGBMGPHI-IIBYNOLFSA-N 1 2 374.481 2.159 20 30 FEEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CC[N@H+](C)C[C@H]1C ZINC000440266059 560007725 /nfs/dbraw/zinc/00/77/25/560007725.db2.gz CIXBJBSQEFEAIN-ZIAGYGMSSA-N 1 2 360.483 2.039 20 30 FEEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000440266059 560007726 /nfs/dbraw/zinc/00/77/26/560007726.db2.gz CIXBJBSQEFEAIN-ZIAGYGMSSA-N 1 2 360.483 2.039 20 30 FEEDLO Cc1cccc(NC(=O)C(=O)NCc2cccc(-n3cc[nH+]c3)c2)c1C#N ZINC000441903295 560040638 /nfs/dbraw/zinc/04/06/38/560040638.db2.gz ISFRVTIUUDJWMB-UHFFFAOYSA-N 1 2 359.389 2.307 20 30 FEEDLO Cc1cc(S(=O)(=O)NCCNc2ccc3ccccc3[nH+]2)ccc1C#N ZINC000443918392 560096188 /nfs/dbraw/zinc/09/61/88/560096188.db2.gz UOEPLLCZYFVYPC-UHFFFAOYSA-N 1 2 366.446 2.805 20 30 FEEDLO C[C@@H]1CN(c2nccnc2C#N)CCN1Cc1c[nH+]cn1Cc1ccccc1 ZINC000445813406 560135293 /nfs/dbraw/zinc/13/52/93/560135293.db2.gz IAQZQVCGRZNIDX-QGZVFWFLSA-N 1 2 373.464 2.304 20 30 FEEDLO COC(=O)[C@@H]1C[C@H](C)CC[N@@H+]1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000447876657 560171910 /nfs/dbraw/zinc/17/19/10/560171910.db2.gz ATOXUHNXLIAMDC-OLMNPRSZSA-N 1 2 355.438 2.327 20 30 FEEDLO COC(=O)[C@@H]1C[C@H](C)CC[N@H+]1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000447876657 560171911 /nfs/dbraw/zinc/17/19/11/560171911.db2.gz ATOXUHNXLIAMDC-OLMNPRSZSA-N 1 2 355.438 2.327 20 30 FEEDLO Cc1cccc([C@H](CNC(=O)c2ccc(C#N)n2C)[NH+]2CCOCC2)c1 ZINC000448695188 560194808 /nfs/dbraw/zinc/19/48/08/560194808.db2.gz UYPBUHCUYIFRCD-IBGZPJMESA-N 1 2 352.438 2.009 20 30 FEEDLO C[C@H](NC(=O)c1cccc(C#N)c1Br)[C@H](C)[NH+]1CCOCC1 ZINC000448915164 560206320 /nfs/dbraw/zinc/20/63/20/560206320.db2.gz CIJKBFAGWIQEII-RYUDHWBXSA-N 1 2 366.259 2.160 20 30 FEEDLO Cc1cc(C[NH2+]Cc2nn(C)cc2I)ccc1C#N ZINC000449604393 560234667 /nfs/dbraw/zinc/23/46/67/560234667.db2.gz KGIKGSNABVPITO-UHFFFAOYSA-N 1 2 366.206 2.495 20 30 FEEDLO C=CCOc1ccc(C[N@@H+]2CCN(C(=O)c3cnn(C)c3)[C@@H](C)C2)cc1 ZINC000449762308 560239344 /nfs/dbraw/zinc/23/93/44/560239344.db2.gz HBSVYNDAELNXAS-INIZCTEOSA-N 1 2 354.454 2.331 20 30 FEEDLO C=CCOc1ccc(C[N@H+]2CCN(C(=O)c3cnn(C)c3)[C@@H](C)C2)cc1 ZINC000449762308 560239345 /nfs/dbraw/zinc/23/93/45/560239345.db2.gz HBSVYNDAELNXAS-INIZCTEOSA-N 1 2 354.454 2.331 20 30 FEEDLO CN(C[C@H](c1cccs1)[NH+]1CCOCC1)C(=O)c1ccc(C#N)n1C ZINC000450046579 560249149 /nfs/dbraw/zinc/24/91/49/560249149.db2.gz SRZUZQRHTBYHHC-MRXNPFEDSA-N 1 2 358.467 2.104 20 30 FEEDLO CN(C)c1ncccc1O[C@@H]1CC[N@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000451029904 560283319 /nfs/dbraw/zinc/28/33/19/560283319.db2.gz SFQSXRNSYKUSNQ-QGZVFWFLSA-N 1 2 365.437 2.111 20 30 FEEDLO CN(C)c1ncccc1O[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000451029904 560283320 /nfs/dbraw/zinc/28/33/20/560283320.db2.gz SFQSXRNSYKUSNQ-QGZVFWFLSA-N 1 2 365.437 2.111 20 30 FEEDLO CC[C@@H]1C[N@H+](CCNC(=O)c2ccc(Br)cc2C#N)CCO1 ZINC000451473911 560309136 /nfs/dbraw/zinc/30/91/36/560309136.db2.gz YCJCBJVCPCVKMP-CQSZACIVSA-N 1 2 366.259 2.161 20 30 FEEDLO CC[C@@H]1C[N@@H+](CCNC(=O)c2ccc(Br)cc2C#N)CCO1 ZINC000451473911 560309137 /nfs/dbraw/zinc/30/91/37/560309137.db2.gz YCJCBJVCPCVKMP-CQSZACIVSA-N 1 2 366.259 2.161 20 30 FEEDLO CCn1cc[nH+]c1CNC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000454489471 560446639 /nfs/dbraw/zinc/44/66/39/560446639.db2.gz NVTSQUBXGAFEPT-OAHLLOKOSA-N 1 2 370.432 2.382 20 30 FEEDLO Cc1ncsc1CCNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000455301984 560477151 /nfs/dbraw/zinc/47/71/51/560477151.db2.gz COBAYFHEVNYCQX-UHFFFAOYSA-N 1 2 369.494 2.393 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000455441157 560482306 /nfs/dbraw/zinc/48/23/06/560482306.db2.gz ZFJHIELLAPNQBT-SJORKVTESA-N 1 2 373.501 2.474 20 30 FEEDLO N#CCc1cccc(NC(=O)NCc2ccc[nH+]c2N2CCOCC2)c1 ZINC000455945672 560501449 /nfs/dbraw/zinc/50/14/49/560501449.db2.gz LXFHJLBVMHHSMX-UHFFFAOYSA-N 1 2 351.410 2.306 20 30 FEEDLO CCOC(=O)C1(COC)CC[NH+](Cc2c(C#N)cccc2[N+](=O)[O-])CC1 ZINC000459452782 560687460 /nfs/dbraw/zinc/68/74/60/560687460.db2.gz WRSOIVISVOEJJQ-UHFFFAOYSA-N 1 2 361.398 2.258 20 30 FEEDLO C[C@H](C[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1)C(=O)OC(C)(C)C ZINC000459801413 560709199 /nfs/dbraw/zinc/70/91/99/560709199.db2.gz GYIAQIMAIGWIQE-CQSZACIVSA-N 1 2 366.483 2.242 20 30 FEEDLO C[C@H](C[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1)C(=O)OC(C)(C)C ZINC000459801413 560709200 /nfs/dbraw/zinc/70/92/00/560709200.db2.gz GYIAQIMAIGWIQE-CQSZACIVSA-N 1 2 366.483 2.242 20 30 FEEDLO C=CCN(CC=C)C(=O)C(=O)N1CC[NH+](Cc2ccc(CC)s2)CC1 ZINC000459819128 560710713 /nfs/dbraw/zinc/71/07/13/560710713.db2.gz SMCBLZGMDRPOKU-UHFFFAOYSA-N 1 2 361.511 2.155 20 30 FEEDLO C=CCN(Cc1cccs1)C(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000459871972 560715274 /nfs/dbraw/zinc/71/52/74/560715274.db2.gz UKHSHADWGKTYOW-UHFFFAOYSA-N 1 2 370.478 2.007 20 30 FEEDLO COc1cc(C[NH+]2CCN(C(=O)N[C@H]3CCC[C@H]3C#N)CC2)cc(OC)c1 ZINC000461960953 560789888 /nfs/dbraw/zinc/78/98/88/560789888.db2.gz WXKURPBJRFWWPW-LPHOPBHVSA-N 1 2 372.469 2.223 20 30 FEEDLO C=CCNC(=O)C[NH+]1CCN(c2ccc(C(F)(F)F)cc2C#N)CC1 ZINC000467746927 560916289 /nfs/dbraw/zinc/91/62/89/560916289.db2.gz QGTKXFPTJKUFNG-UHFFFAOYSA-N 1 2 352.360 2.001 20 30 FEEDLO N#Cc1cc(C(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)ccc1F ZINC000469667500 560961145 /nfs/dbraw/zinc/96/11/45/560961145.db2.gz PYBQINSJFRRFIC-LJQANCHMSA-N 1 2 367.424 2.371 20 30 FEEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1CCSC[C@@H]1CCO ZINC000470213211 560976644 /nfs/dbraw/zinc/97/66/44/560976644.db2.gz FMHFEPMXCFYXIV-ZDUSSCGKSA-N 1 2 351.497 2.041 20 30 FEEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1CCSC[C@@H]1CCO ZINC000470213211 560976645 /nfs/dbraw/zinc/97/66/45/560976645.db2.gz FMHFEPMXCFYXIV-ZDUSSCGKSA-N 1 2 351.497 2.041 20 30 FEEDLO Cn1cc[nH+]c1CNC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N ZINC000470549048 560984414 /nfs/dbraw/zinc/98/44/14/560984414.db2.gz LLJKZQLHTLTQRC-UHFFFAOYSA-N 1 2 366.425 2.325 20 30 FEEDLO Cc1nn(C)c(N2CC[NH+]([C@@H](C)C(=O)Nc3ccccc3C)CC2)c1C#N ZINC000472164456 561020012 /nfs/dbraw/zinc/02/00/12/561020012.db2.gz UOGZZNWDOMPXFS-INIZCTEOSA-N 1 2 366.469 2.058 20 30 FEEDLO Cn1cc[nH+]c1CN1CCN(C(=O)C[C@@H](CC#N)c2ccccc2)CC1 ZINC000475638339 561101381 /nfs/dbraw/zinc/10/13/81/561101381.db2.gz OBHCNNKTMDJEFF-GOSISDBHSA-N 1 2 351.454 2.152 20 30 FEEDLO N#Cc1ccccc1OC[C@@H](O)C[NH+]1CC(O)(c2ccc(Cl)cc2)C1 ZINC000528494413 562332352 /nfs/dbraw/zinc/33/23/52/562332352.db2.gz SYRYYEHFLFVRTG-KRWDZBQOSA-N 1 2 358.825 2.155 20 30 FEEDLO CCOC[C@H]1C[N@@H+]([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)CCO1 ZINC000528723579 562343811 /nfs/dbraw/zinc/34/38/11/562343811.db2.gz QUZKMNGXFUBLQA-VZDIDWBNSA-N 1 2 351.491 2.043 20 30 FEEDLO CCOC[C@H]1C[N@H+]([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)CCO1 ZINC000528723579 562343812 /nfs/dbraw/zinc/34/38/12/562343812.db2.gz QUZKMNGXFUBLQA-VZDIDWBNSA-N 1 2 351.491 2.043 20 30 FEEDLO N#Cc1ccc(Cl)c(NC(=O)C(=O)NCc2cn3ccccc3[nH+]2)c1 ZINC000531783326 562456659 /nfs/dbraw/zinc/45/66/59/562456659.db2.gz ZQQVSVISPBYBAF-UHFFFAOYSA-N 1 2 353.769 2.114 20 30 FEEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cc2c(c(Cl)c1)OCO2 ZINC000531801541 562457074 /nfs/dbraw/zinc/45/70/74/562457074.db2.gz NAOMTQDKEDGQKB-LBPRGKRZSA-N 1 2 371.828 2.441 20 30 FEEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cc2c(c(Cl)c1)OCO2 ZINC000531801541 562457075 /nfs/dbraw/zinc/45/70/75/562457075.db2.gz NAOMTQDKEDGQKB-LBPRGKRZSA-N 1 2 371.828 2.441 20 30 FEEDLO Cc1ccc2nc(C[NH+]3CCN(Cc4ccc(C#N)cc4)CC3)cc(=O)n2c1 ZINC000532467056 562478809 /nfs/dbraw/zinc/47/88/09/562478809.db2.gz GDHPSYBVZMPYLG-UHFFFAOYSA-N 1 2 373.460 2.192 20 30 FEEDLO C=C1CC[NH+]([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)CC1 ZINC000532553589 562481224 /nfs/dbraw/zinc/48/12/24/562481224.db2.gz RIXPCEYUSFQPDS-HNNXBMFYSA-N 1 2 365.499 2.352 20 30 FEEDLO Cc1cc(NC(=O)N2CCN(c3cccc(F)c3C#N)CC2)c(C)c[nH+]1 ZINC000534323854 562531604 /nfs/dbraw/zinc/53/16/04/562531604.db2.gz HRTGQCYUPYNHDK-UHFFFAOYSA-N 1 2 353.401 2.485 20 30 FEEDLO N#Cc1cccc(N2CC[NH+](CC(=O)Nc3ccc(Cl)cc3)CC2)n1 ZINC000535154724 562552265 /nfs/dbraw/zinc/55/22/65/562552265.db2.gz PZBUCNKXLNJNSQ-UHFFFAOYSA-N 1 2 355.829 2.367 20 30 FEEDLO N#CCc1ccc(C[NH+]2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 ZINC000541281363 562607897 /nfs/dbraw/zinc/60/78/97/562607897.db2.gz OWNBDAQCCZEPIM-UHFFFAOYSA-N 1 2 373.453 2.398 20 30 FEEDLO C=C(C)C[C@@H](NC(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21)C(=O)OC ZINC000601780383 567839496 /nfs/dbraw/zinc/83/94/96/567839496.db2.gz BUAGRYSEBGTJAJ-CQSZACIVSA-N 1 2 351.353 2.247 20 30 FEEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+](C)[C@H]1CCCCN(C)C1=O ZINC000601970259 567890412 /nfs/dbraw/zinc/89/04/12/567890412.db2.gz NHDBRIHUHBLSFY-WMZOPIPTSA-N 1 2 356.470 2.264 20 30 FEEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)[C@H]1CCCCN(C)C1=O ZINC000601970259 567890414 /nfs/dbraw/zinc/89/04/14/567890414.db2.gz NHDBRIHUHBLSFY-WMZOPIPTSA-N 1 2 356.470 2.264 20 30 FEEDLO CN(C(=O)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1)[C@H]1CCC[C@@H]1C#N ZINC000602066488 567924046 /nfs/dbraw/zinc/92/40/46/567924046.db2.gz HYRQSDNUUPODEV-ZBFHGGJFSA-N 1 2 351.410 2.176 20 30 FEEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+](C)Cc1c[nH]nc1C ZINC000602938365 568021189 /nfs/dbraw/zinc/02/11/89/568021189.db2.gz PLERAIAMUOWLCD-HNNXBMFYSA-N 1 2 355.442 2.494 20 30 FEEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+](C)Cc1c[nH]nc1C ZINC000602938365 568021191 /nfs/dbraw/zinc/02/11/91/568021191.db2.gz PLERAIAMUOWLCD-HNNXBMFYSA-N 1 2 355.442 2.494 20 30 FEEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@H](CF)c2ccc(F)cc2)CC1 ZINC000603017590 568052051 /nfs/dbraw/zinc/05/20/51/568052051.db2.gz JFAVPNMCDLLKFN-MSOLQXFVSA-N 1 2 364.440 2.118 20 30 FEEDLO Cc1nc([C@@H]2CCCC[N@@H+]2C[C@@H](O)COc2ccc(CC#N)cc2)no1 ZINC000603844408 568156361 /nfs/dbraw/zinc/15/63/61/568156361.db2.gz GAGULEYKOKGIHT-AEFFLSMTSA-N 1 2 356.426 2.411 20 30 FEEDLO Cc1nc([C@@H]2CCCC[N@H+]2C[C@@H](O)COc2ccc(CC#N)cc2)no1 ZINC000603844408 568156363 /nfs/dbraw/zinc/15/63/63/568156363.db2.gz GAGULEYKOKGIHT-AEFFLSMTSA-N 1 2 356.426 2.411 20 30 FEEDLO N#Cc1cc(S(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)ccc1Cl ZINC000604017750 568199419 /nfs/dbraw/zinc/19/94/19/568199419.db2.gz FEPOBUCONAWNHS-UHFFFAOYSA-N 1 2 362.842 2.118 20 30 FEEDLO Cn1ncc2c1nc[nH+]c2N1CCN(c2cccc(C(F)F)c2C#N)CC1 ZINC000569159687 568300544 /nfs/dbraw/zinc/30/05/44/568300544.db2.gz WJQWDWHQPFSJGR-UHFFFAOYSA-N 1 2 369.379 2.499 20 30 FEEDLO CC(C)[C@H](C#N)N1CC[NH+](CC(=O)NCCc2ccc(Cl)cc2)CC1 ZINC000609487015 568346645 /nfs/dbraw/zinc/34/66/45/568346645.db2.gz VFDAGYVDHGWMGC-SFHVURJKSA-N 1 2 362.905 2.164 20 30 FEEDLO Cn1c[nH+]c(CCNC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)c1 ZINC000570905401 568641900 /nfs/dbraw/zinc/64/19/00/568641900.db2.gz HBHUEYFCFGOZCY-UHFFFAOYSA-N 1 2 353.426 2.087 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(c3ccc(-c4nn[nH]n4)cc3F)CC2)cc1 ZINC000737711152 598235233 /nfs/dbraw/zinc/23/52/33/598235233.db2.gz FGXUXDRUHCCWCG-UHFFFAOYSA-N 1 2 363.400 2.200 20 30 FEEDLO C=C1CC[NH+]([C@@H](C)C(=O)Nc2sc3c(c2-c2nn[nH]n2)CCC3)CC1 ZINC000735403452 598504312 /nfs/dbraw/zinc/50/43/12/598504312.db2.gz WIIZCYYWFLBAAI-NSHDSACASA-N 1 2 358.471 2.396 20 30 FEEDLO C[C@H]1CN(c2ccc(C(F)(F)F)cc2)C[C@H](C)[NH+]1CC(=O)NCC#N ZINC000564155886 674979244 /nfs/dbraw/zinc/97/92/44/674979244.db2.gz DYAZROVUFGTGHM-STQMWFEESA-N 1 2 354.376 2.244 20 30 FEEDLO Cc1nsc(NC[C@@H]2C[C@H](C)CCN2C(=O)Cc2[nH]cc[nH+]2)c1C#N ZINC001048229105 675006876 /nfs/dbraw/zinc/00/68/76/675006876.db2.gz HAFFYEHXSIWJFL-YPMHNXCESA-N 1 2 358.471 2.328 20 30 FEEDLO C=CC[NH+]1CCC(NC(=O)c2cccc(S(=O)(=O)C(F)F)c2)CC1 ZINC000817532992 675142932 /nfs/dbraw/zinc/14/29/32/675142932.db2.gz NXNLSXRZONMBLL-UHFFFAOYSA-N 1 2 358.410 2.063 20 30 FEEDLO C[N@H+](CCCOc1ccc(S(C)(=O)=O)cc1)Cc1ccc(C#N)cn1 ZINC000571342108 670858982 /nfs/dbraw/zinc/85/89/82/670858982.db2.gz WJLGBYGATLEJHJ-UHFFFAOYSA-N 1 2 359.451 2.258 20 30 FEEDLO C[N@@H+](CCCOc1ccc(S(C)(=O)=O)cc1)Cc1ccc(C#N)cn1 ZINC000571342108 670858989 /nfs/dbraw/zinc/85/89/89/670858989.db2.gz WJLGBYGATLEJHJ-UHFFFAOYSA-N 1 2 359.451 2.258 20 30 FEEDLO C[C@H]([NH2+]Cc1nc(C#N)cs1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000573143360 671087941 /nfs/dbraw/zinc/08/79/41/671087941.db2.gz GSHOJISKAHLKPK-NSHDSACASA-N 1 2 350.469 2.116 20 30 FEEDLO COc1cc(NC[C@@H](O)C[N@H+](C)CCC#N)cc(OC)c1Br ZINC000576272994 671356966 /nfs/dbraw/zinc/35/69/66/671356966.db2.gz XSDAGCBOLRAYFE-GFCCVEGCSA-N 1 2 372.263 2.085 20 30 FEEDLO COc1cc(NC[C@@H](O)C[N@@H+](C)CCC#N)cc(OC)c1Br ZINC000576272994 671356970 /nfs/dbraw/zinc/35/69/70/671356970.db2.gz XSDAGCBOLRAYFE-GFCCVEGCSA-N 1 2 372.263 2.085 20 30 FEEDLO C=CCn1cc(CNC(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)nn1 ZINC000577368823 671591296 /nfs/dbraw/zinc/59/12/96/671591296.db2.gz XDSILUZYDWSSMV-CQSZACIVSA-N 1 2 360.487 2.114 20 30 FEEDLO C#CCNC(=O)[C@H](C)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000153236769 672194992 /nfs/dbraw/zinc/19/49/92/672194992.db2.gz UWYMUHLPPNGKSU-AWEZNQCLSA-N 1 2 368.308 2.291 20 30 FEEDLO C#CCNC(=O)[C@H](C)[NH+]1CCN(CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000153236769 672194995 /nfs/dbraw/zinc/19/49/95/672194995.db2.gz UWYMUHLPPNGKSU-AWEZNQCLSA-N 1 2 368.308 2.291 20 30 FEEDLO N#Cc1cc(F)ccc1S(=O)(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000156801191 672250598 /nfs/dbraw/zinc/25/05/98/672250598.db2.gz RPJNZMQSQUNFKE-UHFFFAOYSA-N 1 2 356.382 2.362 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000174240587 672359164 /nfs/dbraw/zinc/35/91/64/672359164.db2.gz NDNGPYZYRYDMOM-KDOFPFPSSA-N 1 2 352.479 2.030 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000174240587 672359166 /nfs/dbraw/zinc/35/91/66/672359166.db2.gz NDNGPYZYRYDMOM-KDOFPFPSSA-N 1 2 352.479 2.030 20 30 FEEDLO C=CC[C@@H](C)[C@H](C)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)[nH+]c1 ZINC000679149807 672469162 /nfs/dbraw/zinc/46/91/62/672469162.db2.gz ULWOSENUWYQCIR-CABCVRRESA-N 1 2 352.504 2.176 20 30 FEEDLO Cn1cc[nH+]c1C[C@H](NS(=O)(=O)CC1(C#N)CCC1)c1ccccc1 ZINC000589223603 672514369 /nfs/dbraw/zinc/51/43/69/672514369.db2.gz FJWLILJPCUCCFU-INIZCTEOSA-N 1 2 358.467 2.317 20 30 FEEDLO Cc1nsc(N2CC[NH+](C[C@@H]3COc4ccccc4O3)CC2)c1C#N ZINC000589286669 672519991 /nfs/dbraw/zinc/51/99/91/672519991.db2.gz BNRZYZVDSARJDR-CQSZACIVSA-N 1 2 356.451 2.285 20 30 FEEDLO C[NH+](C)CCn1nccc1NS(=O)(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000593279940 672901722 /nfs/dbraw/zinc/90/17/22/672901722.db2.gz FPJZQPHMSOYUGI-UHFFFAOYSA-N 1 2 361.471 2.047 20 30 FEEDLO C[C@@H](CNS(=O)(=O)c1ccsc1C#N)[N@@H+]1CCc2ccccc2C1 ZINC000593528994 672934438 /nfs/dbraw/zinc/93/44/38/672934438.db2.gz INFMODLYAUACNS-ZDUSSCGKSA-N 1 2 361.492 2.345 20 30 FEEDLO C[C@@H](CNS(=O)(=O)c1ccsc1C#N)[N@H+]1CCc2ccccc2C1 ZINC000593528994 672934442 /nfs/dbraw/zinc/93/44/42/672934442.db2.gz INFMODLYAUACNS-ZDUSSCGKSA-N 1 2 361.492 2.345 20 30 FEEDLO CCC(CC)[C@@H](CNS(=O)(=O)c1ccsc1C#N)[NH+]1CCOCC1 ZINC000593530189 672934918 /nfs/dbraw/zinc/93/49/18/672934918.db2.gz VSFKIJOGUDVBOZ-CQSZACIVSA-N 1 2 371.528 2.035 20 30 FEEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)CNC(=O)c1cc2c(s1)CCCC2 ZINC000328790749 673066785 /nfs/dbraw/zinc/06/67/85/673066785.db2.gz YWXLRNNDZUIJAO-ZDUSSCGKSA-N 1 2 365.499 2.034 20 30 FEEDLO C[C@H](CNC(=O)[C@@H]1CCCC[C@H]1C(=O)N1CCCC1)[NH+]1CCOCC1 ZINC000328876522 673068383 /nfs/dbraw/zinc/06/83/83/673068383.db2.gz ZTUGGFCDTNPJAH-BRWVUGGUSA-N 1 2 351.491 2.092 20 30 FEEDLO C[NH+](C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccccc1O ZINC000594747017 673128048 /nfs/dbraw/zinc/12/80/48/673128048.db2.gz BFPMYFOFAWMABN-UHFFFAOYSA-N 1 2 359.451 2.016 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[NH+]2CCC([C@H]3CCCCO3)CC2)nc1 ZINC000595782135 673324945 /nfs/dbraw/zinc/32/49/45/673324945.db2.gz HMMNNAQMGASPJT-QGZVFWFLSA-N 1 2 363.483 2.008 20 30 FEEDLO Cc1cc(NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)c(C)c[nH+]1 ZINC000536575140 673370100 /nfs/dbraw/zinc/37/01/00/673370100.db2.gz FLHKXCMGSLMTHR-UHFFFAOYSA-N 1 2 357.435 2.450 20 30 FEEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000613833079 676150589 /nfs/dbraw/zinc/15/05/89/676150589.db2.gz UAFSKFOUNGANBN-GOSISDBHSA-N 1 2 363.889 2.285 20 30 FEEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000613833079 676150591 /nfs/dbraw/zinc/15/05/91/676150591.db2.gz UAFSKFOUNGANBN-GOSISDBHSA-N 1 2 363.889 2.285 20 30 FEEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)NC3CC3)C2)c(OC(F)F)c1 ZINC000546213514 673797268 /nfs/dbraw/zinc/79/72/68/673797268.db2.gz GTXAKBGOHYOXDG-CQSZACIVSA-N 1 2 350.369 2.196 20 30 FEEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)NC3CC3)C2)c(OC(F)F)c1 ZINC000546213514 673797270 /nfs/dbraw/zinc/79/72/70/673797270.db2.gz GTXAKBGOHYOXDG-CQSZACIVSA-N 1 2 350.369 2.196 20 30 FEEDLO CC(C)(CNS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1)n1cc[nH+]c1 ZINC000601526908 673877596 /nfs/dbraw/zinc/87/75/96/673877596.db2.gz OWHNKPVVHHQNRA-UHFFFAOYSA-N 1 2 372.372 2.487 20 30 FEEDLO C[N@@H+]1CC[C@H](NC(=O)N2CC[C@@](F)(C#N)C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000615547686 676219172 /nfs/dbraw/zinc/21/91/72/676219172.db2.gz VVOZGQIHIVWVJR-YQQAZPJKSA-N 1 2 352.360 2.357 20 30 FEEDLO C[N@H+]1CC[C@H](NC(=O)N2CC[C@@](F)(C#N)C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000615547686 676219174 /nfs/dbraw/zinc/21/91/74/676219174.db2.gz VVOZGQIHIVWVJR-YQQAZPJKSA-N 1 2 352.360 2.357 20 30 FEEDLO C#CCCCOc1ccc[nH+]c1NCCc1ccc(S(N)(=O)=O)cc1 ZINC000820598779 675372912 /nfs/dbraw/zinc/37/29/12/675372912.db2.gz JFGSWRMJUBOYKG-UHFFFAOYSA-N 1 2 359.451 2.176 20 30 FEEDLO C#CCC[NH+]1CCN(c2ccc([N+](=O)[O-])c(C(=O)OC)c2Cl)CC1 ZINC000820652739 675376712 /nfs/dbraw/zinc/37/67/12/675376712.db2.gz WAIUBEBIRUTVMJ-UHFFFAOYSA-N 1 2 351.790 2.180 20 30 FEEDLO C[NH+]1CCN(c2ccc(Nc3ncncc3C#N)cc2Br)CC1 ZINC000825990124 675676803 /nfs/dbraw/zinc/67/68/03/675676803.db2.gz LGKPHSXAVQSDKI-UHFFFAOYSA-N 1 2 373.258 2.028 20 30 FEEDLO NC(=[NH+]OCc1ccc(-c2nn[nH]n2)cc1)c1ccc(Br)cc1 ZINC000826388122 675687563 /nfs/dbraw/zinc/68/75/63/675687563.db2.gz JCWUFCSOEZCITL-UHFFFAOYSA-N 1 2 373.214 2.466 20 30 FEEDLO NC(=[NH+]OCc1ccccc1-c1nn[nH]n1)c1ccc(Br)cc1 ZINC000826388999 675687702 /nfs/dbraw/zinc/68/77/02/675687702.db2.gz NYUZYHDVZHFBCI-UHFFFAOYSA-N 1 2 373.214 2.466 20 30 FEEDLO C#CC[C@H]1CCC[N@@H+](Cc2nc(=O)c3c(C)c(C(=O)OC)sc3[nH]2)C1 ZINC000829788949 675891016 /nfs/dbraw/zinc/89/10/16/675891016.db2.gz KHQZKDPFLBOWHE-LBPRGKRZSA-N 1 2 359.451 2.315 20 30 FEEDLO C#CC[C@H]1CCC[N@H+](Cc2nc(=O)c3c(C)c(C(=O)OC)sc3[nH]2)C1 ZINC000829788949 675891017 /nfs/dbraw/zinc/89/10/17/675891017.db2.gz KHQZKDPFLBOWHE-LBPRGKRZSA-N 1 2 359.451 2.315 20 30 FEEDLO CC[N@@H+]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)C[C@H]1C ZINC000619712624 676391819 /nfs/dbraw/zinc/39/18/19/676391819.db2.gz LCFRUSPJAUZCBQ-LLVKDONJSA-N 1 2 361.389 2.292 20 30 FEEDLO CC[N@H+]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)C[C@H]1C ZINC000619712624 676391820 /nfs/dbraw/zinc/39/18/20/676391820.db2.gz LCFRUSPJAUZCBQ-LLVKDONJSA-N 1 2 361.389 2.292 20 30 FEEDLO CC#CC[NH2+]Cc1cn(CC(=O)Nc2cc(Cl)ccc2Cl)nn1 ZINC000640759162 677187943 /nfs/dbraw/zinc/18/79/43/677187943.db2.gz ILWOTQFNGUPCHI-UHFFFAOYSA-N 1 2 352.225 2.337 20 30 FEEDLO C=C(C)[C@H](CO)[N@@H+]1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000649273671 677328548 /nfs/dbraw/zinc/32/85/48/677328548.db2.gz BLHJEQRYNCYIFV-LBPRGKRZSA-N 1 2 364.920 2.035 20 30 FEEDLO C=C(C)[C@H](CO)[N@H+]1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000649273671 677328549 /nfs/dbraw/zinc/32/85/49/677328549.db2.gz BLHJEQRYNCYIFV-LBPRGKRZSA-N 1 2 364.920 2.035 20 30 FEEDLO C=CC[C@H]1CC[C@H](Nc2ccc(N3CCN(S(C)(=O)=O)CC3)[nH+]c2)C1 ZINC000651754619 677449600 /nfs/dbraw/zinc/44/96/00/677449600.db2.gz JJQCDCYMSDBTEJ-HOTGVXAUSA-N 1 2 364.515 2.320 20 30 FEEDLO C=CC(C)(C)CNC(=O)N1CC[N@@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000838665622 680710945 /nfs/dbraw/zinc/71/09/45/680710945.db2.gz RTKPHANHGOHZKV-CQSZACIVSA-N 1 2 354.495 2.049 20 30 FEEDLO C=CC(C)(C)CNC(=O)N1CC[N@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000838665622 680710948 /nfs/dbraw/zinc/71/09/48/680710948.db2.gz RTKPHANHGOHZKV-CQSZACIVSA-N 1 2 354.495 2.049 20 30 FEEDLO C=CCCn1cc(C[NH2+][C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)nn1 ZINC000657364688 677997001 /nfs/dbraw/zinc/99/70/01/677997001.db2.gz YXCLFNFQOHCWAW-HOTGVXAUSA-N 1 2 354.376 2.478 20 30 FEEDLO C=CC[C@H]1CCCC[C@@H]1NC(=O)N1CC[NH+](CCOCCOC)CC1 ZINC000665384916 678956930 /nfs/dbraw/zinc/95/69/30/678956930.db2.gz RGTXAPPAHCBTFY-ROUUACIJSA-N 1 2 353.507 2.112 20 30 FEEDLO C=CC(C)(C)C(=O)N1CC[C@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000831943825 680064998 /nfs/dbraw/zinc/06/49/98/680064998.db2.gz KIKNFDYTMLWBAT-HNNXBMFYSA-N 1 2 351.491 2.352 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](C[N@@H+](C)Cc2nnc(C)s2)C1 ZINC001017211442 680072964 /nfs/dbraw/zinc/07/29/64/680072964.db2.gz BNPPRWVVTJVUJI-XHSDSOJGSA-N 1 2 364.515 2.108 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](C[N@H+](C)Cc2nnc(C)s2)C1 ZINC001017211442 680072966 /nfs/dbraw/zinc/07/29/66/680072966.db2.gz BNPPRWVVTJVUJI-XHSDSOJGSA-N 1 2 364.515 2.108 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2snnc2C)CC1(C)C ZINC000977325800 680160623 /nfs/dbraw/zinc/16/06/23/680160623.db2.gz JOKDMOABXZBLEG-IMJJTQAJSA-N 1 2 364.515 2.154 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2snnc2C)CC1(C)C ZINC000977325800 680160625 /nfs/dbraw/zinc/16/06/25/680160625.db2.gz JOKDMOABXZBLEG-IMJJTQAJSA-N 1 2 364.515 2.154 20 30 FEEDLO C=C(Br)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001028038755 680368121 /nfs/dbraw/zinc/36/81/21/680368121.db2.gz CAHDNKVEHOGUOU-ZNMIVQPWSA-N 1 2 357.292 2.291 20 30 FEEDLO C=C(Br)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001028038755 680368125 /nfs/dbraw/zinc/36/81/25/680368125.db2.gz CAHDNKVEHOGUOU-ZNMIVQPWSA-N 1 2 357.292 2.291 20 30 FEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@H](C[N@@H+](C)Cc2nncs2)C1 ZINC001029861841 680393984 /nfs/dbraw/zinc/39/39/84/680393984.db2.gz HVQGJPYOKXFJGL-ZOBUZTSGSA-N 1 2 364.515 2.190 20 30 FEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@H](C[N@H+](C)Cc2nncs2)C1 ZINC001029861841 680393988 /nfs/dbraw/zinc/39/39/88/680393988.db2.gz HVQGJPYOKXFJGL-ZOBUZTSGSA-N 1 2 364.515 2.190 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H](C[N@@H+](C)Cc2nnc(C)s2)C1 ZINC001029864578 680394606 /nfs/dbraw/zinc/39/46/06/680394606.db2.gz QTIAOMPZRPYOOB-VYDXJSESSA-N 1 2 364.515 2.108 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H](C[N@H+](C)Cc2nnc(C)s2)C1 ZINC001029864578 680394610 /nfs/dbraw/zinc/39/46/10/680394610.db2.gz QTIAOMPZRPYOOB-VYDXJSESSA-N 1 2 364.515 2.108 20 30 FEEDLO CN(C(=O)[C@]12C[C@H]1COC2)[C@@H]1CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC001033092429 680417033 /nfs/dbraw/zinc/41/70/33/680417033.db2.gz AZJDJCOFZZEIHX-QKLQHJQFSA-N 1 2 358.869 2.261 20 30 FEEDLO CN(C(=O)[C@]12C[C@H]1COC2)[C@@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC001033092429 680417035 /nfs/dbraw/zinc/41/70/35/680417035.db2.gz AZJDJCOFZZEIHX-QKLQHJQFSA-N 1 2 358.869 2.261 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@H]1CC[N@H+](CC(=C)Br)C1 ZINC001033960300 680429153 /nfs/dbraw/zinc/42/91/53/680429153.db2.gz QEYGMJIDLLCFTH-ZNMIVQPWSA-N 1 2 357.292 2.409 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@H]1CC[N@@H+](CC(=C)Br)C1 ZINC001033960300 680429160 /nfs/dbraw/zinc/42/91/60/680429160.db2.gz QEYGMJIDLLCFTH-ZNMIVQPWSA-N 1 2 357.292 2.409 20 30 FEEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@@H](C)[C@H](Nc2[nH+]cnc3c2cnn3C)C1 ZINC001043346365 680576136 /nfs/dbraw/zinc/57/61/36/680576136.db2.gz QWBMPGRVCJZXQD-ZWNOBZJWSA-N 1 2 362.865 2.401 20 30 FEEDLO N#Cc1cnc(N[C@@H]2CCCC[C@H]2NC(=O)Cn2cc[nH+]c2)c(Cl)c1 ZINC001045511949 680632718 /nfs/dbraw/zinc/63/27/18/680632718.db2.gz LVFOTMJLMZVLGB-HUUCEWRRSA-N 1 2 358.833 2.343 20 30 FEEDLO CC(=[NH+]Nc1ccc(S(N)(=O)=O)cc1)c1ccc(F)cc1N(C)C ZINC000759178758 680633046 /nfs/dbraw/zinc/63/30/46/680633046.db2.gz GVZYKTAKRUKOOI-UHFFFAOYSA-N 1 2 350.419 2.375 20 30 FEEDLO C=CC[N@@H+](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000768984726 680967000 /nfs/dbraw/zinc/96/70/00/680967000.db2.gz JKUAUBWELNMSGU-GJZGRUSLSA-N 1 2 358.504 2.061 20 30 FEEDLO C=CC[N@H+](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000768984726 680967003 /nfs/dbraw/zinc/96/70/03/680967003.db2.gz JKUAUBWELNMSGU-GJZGRUSLSA-N 1 2 358.504 2.061 20 30 FEEDLO COC[C@@H](C[N@@H+]1CCO[C@@H](C)C1)OC(=O)c1ccc(C#N)c(Cl)c1 ZINC000842973012 680979399 /nfs/dbraw/zinc/97/93/99/680979399.db2.gz KHIQHZYBZUACOU-SWLSCSKDSA-N 1 2 352.818 2.104 20 30 FEEDLO COC[C@@H](C[N@H+]1CCO[C@@H](C)C1)OC(=O)c1ccc(C#N)c(Cl)c1 ZINC000842973012 680979400 /nfs/dbraw/zinc/97/94/00/680979400.db2.gz KHIQHZYBZUACOU-SWLSCSKDSA-N 1 2 352.818 2.104 20 30 FEEDLO C#CC[C@H]1CCC[N@@H+](Cc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2Cl)C1 ZINC000843423582 681003159 /nfs/dbraw/zinc/00/31/59/681003159.db2.gz GOTRQGGYGQCJFQ-LSDHHAIUSA-N 1 2 369.918 2.440 20 30 FEEDLO C#CC[C@H]1CCC[N@H+](Cc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2Cl)C1 ZINC000843423582 681003160 /nfs/dbraw/zinc/00/31/60/681003160.db2.gz GOTRQGGYGQCJFQ-LSDHHAIUSA-N 1 2 369.918 2.440 20 30 FEEDLO C=C(Cl)CN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3OCC[C@H]3C(C)C)C2)CC1 ZINC001052027517 681070750 /nfs/dbraw/zinc/07/07/50/681070750.db2.gz GXEIHGRAKNXBND-SQNIBIBYSA-N 1 2 369.937 2.019 20 30 FEEDLO C[N@H+](CC(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1)[C@@H]1CCSC1 ZINC000773977214 681163004 /nfs/dbraw/zinc/16/30/04/681163004.db2.gz UYYSHTYZPDMFNP-KGLIPLIRSA-N 1 2 351.859 2.425 20 30 FEEDLO C[N@@H+](CC(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1)[C@@H]1CCSC1 ZINC000773977214 681163005 /nfs/dbraw/zinc/16/30/05/681163005.db2.gz UYYSHTYZPDMFNP-KGLIPLIRSA-N 1 2 351.859 2.425 20 30 FEEDLO O=C1OCC[C@H]1[N@@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932944153 681332473 /nfs/dbraw/zinc/33/24/73/681332473.db2.gz RQRWVJRTJAZQGF-DSYKOEDSSA-N 1 2 353.209 2.405 20 30 FEEDLO O=C1OCC[C@H]1[N@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932944153 681332475 /nfs/dbraw/zinc/33/24/75/681332475.db2.gz RQRWVJRTJAZQGF-DSYKOEDSSA-N 1 2 353.209 2.405 20 30 FEEDLO Fc1ccc(-n2cc(C=NNC3=[NH+][C@H]4CCCC[C@@H]4N3)nn2)cc1Cl ZINC000782907173 682093245 /nfs/dbraw/zinc/09/32/45/682093245.db2.gz FSWCATLTXTUJQP-GJZGRUSLSA-N 1 2 361.812 2.254 20 30 FEEDLO CN(CCC#N)c1ccc(C=[NH+]Nc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000916241340 685522836 /nfs/dbraw/zinc/52/28/36/685522836.db2.gz VYDVBJHJHJAJMC-UHFFFAOYSA-N 1 2 357.439 2.130 20 30 FEEDLO O=S(=O)(CCc1ccccc1)NN=Cc1cc(-n2cc[nH+]c2)cs1 ZINC000783850034 682181506 /nfs/dbraw/zinc/18/15/06/682181506.db2.gz UUUXEXNTWOAKQY-UHFFFAOYSA-N 1 2 360.464 2.430 20 30 FEEDLO C#CCC[N@@H+](CCOC)Cn1c(=O)oc2cccc(Br)c21 ZINC000853620944 682446543 /nfs/dbraw/zinc/44/65/43/682446543.db2.gz KPCJKLLZLAHWIX-UHFFFAOYSA-N 1 2 353.216 2.286 20 30 FEEDLO C#CCC[N@H+](CCOC)Cn1c(=O)oc2cccc(Br)c21 ZINC000853620944 682446546 /nfs/dbraw/zinc/44/65/46/682446546.db2.gz KPCJKLLZLAHWIX-UHFFFAOYSA-N 1 2 353.216 2.286 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)c(Cl)c1 ZINC000921321676 683422660 /nfs/dbraw/zinc/42/26/60/683422660.db2.gz ILBGJEOIGDGOQK-KBPBESRZSA-N 1 2 371.915 2.070 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)N[C@H]2CCC[N@H+]3CCSC[C@@H]23)c(Cl)c1 ZINC000921321676 683422664 /nfs/dbraw/zinc/42/26/64/683422664.db2.gz ILBGJEOIGDGOQK-KBPBESRZSA-N 1 2 371.915 2.070 20 30 FEEDLO CC[C@](O)(C[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1)C(F)(F)F ZINC000929876519 683650572 /nfs/dbraw/zinc/65/05/72/683650572.db2.gz FMKFNTFPBAZTRJ-HNNXBMFYSA-N 1 2 358.364 2.249 20 30 FEEDLO CCOC(=O)C1(S(C)(=O)=O)CC[NH+](CCCCC2(C#N)CCC2)CC1 ZINC000930469997 683739602 /nfs/dbraw/zinc/73/96/02/683739602.db2.gz KCWMQURUXUHFFF-UHFFFAOYSA-N 1 2 370.515 2.293 20 30 FEEDLO C#CC1(O)CC[NH+](Cc2csc(CNC(=O)c3ccccc3)n2)CC1 ZINC000931147813 683841756 /nfs/dbraw/zinc/84/17/56/683841756.db2.gz KMMUXVZZJXJTDR-UHFFFAOYSA-N 1 2 355.463 2.033 20 30 FEEDLO CC(C)CS(=O)(=O)N1CCC([NH2+][C@@H](C)c2cccc(C#N)c2O)CC1 ZINC000866325951 684091930 /nfs/dbraw/zinc/09/19/30/684091930.db2.gz GEWIALQGMUOVPX-AWEZNQCLSA-N 1 2 365.499 2.365 20 30 FEEDLO CC(C)CS(=O)(=O)N1CCC([NH2+][C@H](C)c2cccc(C#N)c2O)CC1 ZINC000866325952 684092056 /nfs/dbraw/zinc/09/20/56/684092056.db2.gz GEWIALQGMUOVPX-CQSZACIVSA-N 1 2 365.499 2.365 20 30 FEEDLO COc1cc(C#N)ccc1OCC[NH+]1CCN(Cc2cncs2)CC1 ZINC000931361965 684268394 /nfs/dbraw/zinc/26/83/94/684268394.db2.gz WQDFWIMQBKSNKP-UHFFFAOYSA-N 1 2 358.467 2.220 20 30 FEEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cc(OC)c(Br)s2)C1 ZINC000923566602 684307096 /nfs/dbraw/zinc/30/70/96/684307096.db2.gz MMDXQLSUXPOMNS-SNVBAGLBSA-N 1 2 357.273 2.347 20 30 FEEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(OC)c(Br)s2)C1 ZINC000923566602 684307102 /nfs/dbraw/zinc/30/71/02/684307102.db2.gz MMDXQLSUXPOMNS-SNVBAGLBSA-N 1 2 357.273 2.347 20 30 FEEDLO C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000868264354 684472263 /nfs/dbraw/zinc/47/22/63/684472263.db2.gz KMWINJONJOKAEM-TZMCWYRMSA-N 1 2 368.865 2.350 20 30 FEEDLO COC(=O)c1ccc(C[N@@H+]2CC[C@](O)(CC#N)C2)cc1Br ZINC000877606294 686420926 /nfs/dbraw/zinc/42/09/26/686420926.db2.gz WFIKKVCGPRQULW-OAHLLOKOSA-N 1 2 353.216 2.086 20 30 FEEDLO COC(=O)c1ccc(C[N@H+]2CC[C@](O)(CC#N)C2)cc1Br ZINC000877606294 686420930 /nfs/dbraw/zinc/42/09/30/686420930.db2.gz WFIKKVCGPRQULW-OAHLLOKOSA-N 1 2 353.216 2.086 20 30 FEEDLO C[C@@H]1C[N@H+](CC(=O)NCc2cccc(C#N)c2)CC[C@@H](C(F)(F)F)O1 ZINC000880057914 686989328 /nfs/dbraw/zinc/98/93/28/686989328.db2.gz AHFAHUUQUNWVHB-DOMZBBRYSA-N 1 2 355.360 2.216 20 30 FEEDLO C[C@@H]1C[N@@H+](CC(=O)NCc2cccc(C#N)c2)CC[C@@H](C(F)(F)F)O1 ZINC000880057914 686989333 /nfs/dbraw/zinc/98/93/33/686989333.db2.gz AHFAHUUQUNWVHB-DOMZBBRYSA-N 1 2 355.360 2.216 20 30 FEEDLO C#CCC1(O)CC[NH+](CC(=O)Nc2cc(OC)c(Cl)cc2OC)CC1 ZINC000880482070 687052934 /nfs/dbraw/zinc/05/29/34/687052934.db2.gz WPLLTNGVEHXPKQ-UHFFFAOYSA-N 1 2 366.845 2.146 20 30 FEEDLO C=CCNS(=O)(=O)c1ccccc1N1CCC([N@H+](C)CC(F)F)CC1 ZINC000882059451 687295207 /nfs/dbraw/zinc/29/52/07/687295207.db2.gz XCVLILQWHFTSJX-UHFFFAOYSA-N 1 2 373.469 2.317 20 30 FEEDLO C=CCNS(=O)(=O)c1ccccc1N1CCC([N@@H+](C)CC(F)F)CC1 ZINC000882059451 687295212 /nfs/dbraw/zinc/29/52/12/687295212.db2.gz XCVLILQWHFTSJX-UHFFFAOYSA-N 1 2 373.469 2.317 20 30 FEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H](C)Cc1ccc(Cl)cc1Cl ZINC000884110639 687791785 /nfs/dbraw/zinc/79/17/85/687791785.db2.gz PDFRBFVSVNKBQM-HZMBPMFUSA-N 1 2 359.253 2.487 20 30 FEEDLO Cn1nc2c(c1C[NH+]1CCN(c3ccc(C#N)cc3)CC1)CSCC2 ZINC000895461870 689720918 /nfs/dbraw/zinc/72/09/18/689720918.db2.gz PWVMXQLVCJSCRO-UHFFFAOYSA-N 1 2 353.495 2.403 20 30 FEEDLO N#Cc1csc(C[NH2+]Cc2ccccc2OCC(=O)N2CCCC2)n1 ZINC000897631908 690053551 /nfs/dbraw/zinc/05/35/51/690053551.db2.gz CQKWGGFSUATSRR-UHFFFAOYSA-N 1 2 356.451 2.306 20 30 FEEDLO C=CCOC(=O)[C@@H]([NH3+])Cc1nc(Cc2ccc(Br)cc2)no1 ZINC000904079625 691001131 /nfs/dbraw/zinc/00/11/31/691001131.db2.gz JGHXVQKPWMXVEI-LBPRGKRZSA-N 1 2 366.215 2.022 20 30 FEEDLO C=CCOC(=O)[C@@H]([NH3+])Cc1nc(-c2ccc(Br)cc2C)no1 ZINC000904109834 691004192 /nfs/dbraw/zinc/00/41/92/691004192.db2.gz HQLUPFKUFOEVTA-LBPRGKRZSA-N 1 2 366.215 2.407 20 30 FEEDLO N#Cc1cnc(Cl)cc1C(F)(F)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001165038823 721911177 /nfs/dbraw/zinc/91/11/77/721911177.db2.gz PEXAWWLFMQMQTI-CYBMUJFWSA-N 1 2 356.804 2.453 20 30 FEEDLO N#Cc1c(F)cccc1-n1ccc(NC(=O)[C@H]2CCn3cc[nH+]c3C2)n1 ZINC000512119244 808280451 /nfs/dbraw/zinc/28/04/51/808280451.db2.gz RVVZDAWCBRONRI-LBPRGKRZSA-N 1 2 350.357 2.281 20 30 FEEDLO N#CCCOCC[NH+]1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000549405271 674039350 /nfs/dbraw/zinc/03/93/50/674039350.db2.gz FRHGJYOKETUTSD-UHFFFAOYSA-N 1 2 366.259 2.137 20 30 FEEDLO C=CCNC(=O)[C@H](C)[N@H+](C)CC(=O)Nc1ccc(Br)cc1C ZINC000008493780 539487912 /nfs/dbraw/zinc/48/79/12/539487912.db2.gz DXBMUVGLLVWRDH-LBPRGKRZSA-N 1 2 368.275 2.319 20 30 FEEDLO C=CCNC(=O)[C@H](C)[N@@H+](C)CC(=O)Nc1ccc(Br)cc1C ZINC000008493780 539487913 /nfs/dbraw/zinc/48/79/13/539487913.db2.gz DXBMUVGLLVWRDH-LBPRGKRZSA-N 1 2 368.275 2.319 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Cc3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000017843408 539643894 /nfs/dbraw/zinc/64/38/94/539643894.db2.gz IFYTYKINOSCSNG-UHFFFAOYSA-N 1 2 364.405 2.353 20 30 FEEDLO N#Cc1ccccc1OCC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000018224310 539648177 /nfs/dbraw/zinc/64/81/77/539648177.db2.gz HEDJKCAZAHLFMQ-UHFFFAOYSA-N 1 2 351.406 2.408 20 30 FEEDLO C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCN(c2cc(Cl)ccc2C)CC1 ZINC000024357319 539730179 /nfs/dbraw/zinc/73/01/79/539730179.db2.gz RTJANJZJBOQJOV-CQSZACIVSA-N 1 2 364.877 2.171 20 30 FEEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)Cc1ccccc1OC(F)(F)F ZINC000025259513 539752875 /nfs/dbraw/zinc/75/28/75/539752875.db2.gz FJRGPIQSCDVZHH-NSHDSACASA-N 1 2 359.348 2.417 20 30 FEEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1OC(F)(F)F ZINC000025259513 539752877 /nfs/dbraw/zinc/75/28/77/539752877.db2.gz FJRGPIQSCDVZHH-NSHDSACASA-N 1 2 359.348 2.417 20 30 FEEDLO N#Cc1ccsc1NC(=O)CC[NH+]1CCN(C(=O)c2ccccc2)CC1 ZINC000025388895 539758539 /nfs/dbraw/zinc/75/85/39/539758539.db2.gz ZRDFSEGBOGIYPL-UHFFFAOYSA-N 1 2 368.462 2.406 20 30 FEEDLO N#CCc1ccc(OC[C@@H](O)CN2CC[NH+](Cc3ccsc3)CC2)cc1 ZINC000025700448 539766374 /nfs/dbraw/zinc/76/63/74/539766374.db2.gz KDKJDRXZPMMWBL-IBGZPJMESA-N 1 2 371.506 2.372 20 30 FEEDLO COc1ccc(NC(=O)[C@H](C)[NH+]2CCN(c3cc(C#N)ccn3)CC2)cc1 ZINC000029447067 539853593 /nfs/dbraw/zinc/85/35/93/539853593.db2.gz MAAXBKDJFHBOHT-HNNXBMFYSA-N 1 2 365.437 2.111 20 30 FEEDLO N#Cc1ccnc(N2CC[NH+](CC(=O)N3CCCc4ccccc43)CC2)c1 ZINC000029444003 539853718 /nfs/dbraw/zinc/85/37/18/539853718.db2.gz DPTACVZIKGOGNC-UHFFFAOYSA-N 1 2 361.449 2.055 20 30 FEEDLO Cc1cccc(C)c1NC(=O)C[N@H+](C)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000031153516 539899403 /nfs/dbraw/zinc/89/94/03/539899403.db2.gz VDZZBZAYYVDJLJ-GOSISDBHSA-N 1 2 367.449 2.485 20 30 FEEDLO Cc1cccc(C)c1NC(=O)C[N@@H+](C)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000031153516 539899409 /nfs/dbraw/zinc/89/94/09/539899409.db2.gz VDZZBZAYYVDJLJ-GOSISDBHSA-N 1 2 367.449 2.485 20 30 FEEDLO COc1cc(OC)cc([C@@H](NC(=O)N(C)C[C@@H](C)C#N)c2[nH+]ccn2C)c1 ZINC000045310889 540209598 /nfs/dbraw/zinc/20/95/98/540209598.db2.gz VOVGYPOJFCPYFQ-SUMWQHHRSA-N 1 2 371.441 2.328 20 30 FEEDLO C[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)Cc1ccc(C#N)cc1 ZINC000046528686 540261347 /nfs/dbraw/zinc/26/13/47/540261347.db2.gz JJNCGXXNIDXWCQ-UHFFFAOYSA-N 1 2 350.378 2.488 20 30 FEEDLO C[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)Cc1ccc(C#N)cc1 ZINC000046528686 540261349 /nfs/dbraw/zinc/26/13/49/540261349.db2.gz JJNCGXXNIDXWCQ-UHFFFAOYSA-N 1 2 350.378 2.488 20 30 FEEDLO N#CCc1ccc(OC[C@H](O)Cn2c3ccccc3[nH+]c2CCCO)cc1 ZINC000047283132 540302039 /nfs/dbraw/zinc/30/20/39/540302039.db2.gz NMTUPGIMHLLERH-QGZVFWFLSA-N 1 2 365.433 2.467 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000047744676 540326960 /nfs/dbraw/zinc/32/69/60/540326960.db2.gz VEFVDLSXDUAWFS-DNVCBOLYSA-N 1 2 373.457 2.160 20 30 FEEDLO C=CCNC(=O)c1ccc(NC(=O)NCc2ccc[nH+]c2N(C)C)cc1 ZINC000048160792 540348163 /nfs/dbraw/zinc/34/81/63/540348163.db2.gz QXRBZYZJODBKMP-UHFFFAOYSA-N 1 2 353.426 2.385 20 30 FEEDLO C=CCNC(=O)c1ccc(NC(=O)NCc2ccc(N(C)C)[nH+]c2)cc1 ZINC000048160241 540348229 /nfs/dbraw/zinc/34/82/29/540348229.db2.gz AGWCGZZRJQFWMA-UHFFFAOYSA-N 1 2 353.426 2.385 20 30 FEEDLO COc1ccccc1C(=O)N1CC[NH+](CCOc2cccc(C#N)c2)CC1 ZINC000051284206 540429799 /nfs/dbraw/zinc/42/97/99/540429799.db2.gz BCSSEYNWCCOAFY-UHFFFAOYSA-N 1 2 365.433 2.404 20 30 FEEDLO N#Cc1ccc(F)c(CN2CC[NH+](CC(=O)N3CCCCCC3)CC2)c1 ZINC000053907324 540559818 /nfs/dbraw/zinc/55/98/18/540559818.db2.gz YIZIXLKBJIZIDY-UHFFFAOYSA-N 1 2 358.461 2.218 20 30 FEEDLO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)COc1ccc(C#N)cc1 ZINC000057756379 540813715 /nfs/dbraw/zinc/81/37/15/540813715.db2.gz KFQFCRNAUHHFHQ-UHFFFAOYSA-N 1 2 352.316 2.354 20 30 FEEDLO Cc1ccc(NC(=O)C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000060887174 541122555 /nfs/dbraw/zinc/12/25/55/541122555.db2.gz PKIQWNFWVGYKJU-UHFFFAOYSA-N 1 2 362.433 2.150 20 30 FEEDLO C=CCN(CC=C)C(=O)CO[NH+]=C(N)c1cc(Cl)c(OC)c(OC)c1 ZINC000063458374 541168728 /nfs/dbraw/zinc/16/87/28/541168728.db2.gz RGSWJZVVPUQVSN-UHFFFAOYSA-N 1 2 367.833 2.195 20 30 FEEDLO COc1cc(C(N)=[NH+]OCC(=O)N2CCC(C)CC2)cc(Cl)c1OC ZINC000063458394 541169328 /nfs/dbraw/zinc/16/93/28/541169328.db2.gz LMGFFSIFBXKRKC-UHFFFAOYSA-N 1 2 369.849 2.253 20 30 FEEDLO COc1cc(C#N)ccc1OCCCC(=O)NCCNc1cccc[nH+]1 ZINC000063704806 541179891 /nfs/dbraw/zinc/17/98/91/541179891.db2.gz SSYWWANCXOQJEM-UHFFFAOYSA-N 1 2 354.410 2.349 20 30 FEEDLO N#Cc1ccc(OCC(=O)N2CC[NH+](Cc3cccs3)CC2)cc1F ZINC000066750408 541368918 /nfs/dbraw/zinc/36/89/18/541368918.db2.gz ZETXVXPLDHPBQV-UHFFFAOYSA-N 1 2 359.426 2.482 20 30 FEEDLO N#CCC[C@@H](C#N)CN1CC[NH+](CC(=O)N2CCCc3ccccc32)CC1 ZINC000066905061 541390403 /nfs/dbraw/zinc/39/04/03/541390403.db2.gz UEKZOSMMKOKSOY-SFHVURJKSA-N 1 2 365.481 2.027 20 30 FEEDLO N#Cc1nc(N2CC[NH+](CC(=O)Nc3ccccc3)CC2)ccc1Cl ZINC000067348981 541447129 /nfs/dbraw/zinc/44/71/29/541447129.db2.gz LMOXQDHFIQDTJA-UHFFFAOYSA-N 1 2 355.829 2.367 20 30 FEEDLO COCC[N@H+](CC(=O)N1CCO[C@H]2CCCC[C@@H]21)Cc1ccc(C#N)cc1 ZINC000069071931 541653850 /nfs/dbraw/zinc/65/38/50/541653850.db2.gz ITZGBDZGCMSYBM-PMACEKPBSA-N 1 2 371.481 2.177 20 30 FEEDLO COCC[N@@H+](CC(=O)N1CCO[C@H]2CCCC[C@@H]21)Cc1ccc(C#N)cc1 ZINC000069071931 541653853 /nfs/dbraw/zinc/65/38/53/541653853.db2.gz ITZGBDZGCMSYBM-PMACEKPBSA-N 1 2 371.481 2.177 20 30 FEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCc2c(cccc2N2CCOC2=O)C1 ZINC000072774695 541862968 /nfs/dbraw/zinc/86/29/68/541862968.db2.gz FZTCQFOUOMLDQD-HNNXBMFYSA-N 1 2 370.453 2.009 20 30 FEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCc2c(cccc2N2CCOC2=O)C1 ZINC000072774695 541862970 /nfs/dbraw/zinc/86/29/70/541862970.db2.gz FZTCQFOUOMLDQD-HNNXBMFYSA-N 1 2 370.453 2.009 20 30 FEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN(C(=O)c2ccc(OC)cc2)CC1 ZINC000074085241 542034425 /nfs/dbraw/zinc/03/44/25/542034425.db2.gz JATGWNZPYCAKLL-QGZVFWFLSA-N 1 2 371.481 2.042 20 30 FEEDLO C[C@@H]1CN(c2ccc(CNc3ncc([N+](=O)[O-])cc3C#N)c[nH+]2)C[C@H](C)O1 ZINC000076777351 542322057 /nfs/dbraw/zinc/32/20/57/542322057.db2.gz WTSZNRXGEXSEOX-BETUJISGSA-N 1 2 368.397 2.482 20 30 FEEDLO C[C@H](C#N)CSc1ccccc1NC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000077466334 542385051 /nfs/dbraw/zinc/38/50/51/542385051.db2.gz HIRFMYXFJALHGT-HUUCEWRRSA-N 1 2 361.515 2.306 20 30 FEEDLO C[C@H](C#N)CSc1ccccc1NC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000077466334 542385053 /nfs/dbraw/zinc/38/50/53/542385053.db2.gz HIRFMYXFJALHGT-HUUCEWRRSA-N 1 2 361.515 2.306 20 30 FEEDLO CC(C)(C)SCC[NH+]1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000801912260 674154778 /nfs/dbraw/zinc/15/47/78/674154778.db2.gz LGRVTSLPOLZQHZ-UHFFFAOYSA-N 1 2 367.540 2.396 20 30 FEEDLO C[C@H](C#N)OCC[NH+]1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 ZINC000801910574 674154510 /nfs/dbraw/zinc/15/45/10/674154510.db2.gz VFEJNIORICVTTC-CYBMUJFWSA-N 1 2 355.360 2.392 20 30 FEEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+](CCC)CC(=O)Nc1ccccc1C ZINC000078796831 542481650 /nfs/dbraw/zinc/48/16/50/542481650.db2.gz HHOLWJQGPMWODX-HNNXBMFYSA-N 1 2 360.458 2.046 20 30 FEEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](CCC)CC(=O)Nc1ccccc1C ZINC000078796831 542481653 /nfs/dbraw/zinc/48/16/53/542481653.db2.gz HHOLWJQGPMWODX-HNNXBMFYSA-N 1 2 360.458 2.046 20 30 FEEDLO C#CCNC(=O)c1ccc(N2CC[NH+](Cc3ccc(Cl)cc3)CC2)nc1 ZINC000079543646 542526241 /nfs/dbraw/zinc/52/62/41/542526241.db2.gz HJEUXGGRRDTLFC-UHFFFAOYSA-N 1 2 368.868 2.420 20 30 FEEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000081010779 542624241 /nfs/dbraw/zinc/62/42/41/542624241.db2.gz CXUUOYIIVZXROS-QGZVFWFLSA-N 1 2 370.497 2.241 20 30 FEEDLO N#Cc1ccc(OC2CCC(NC(=O)[C@@H]3CCn4cc[nH+]c4C3)CC2)nc1 ZINC000092046207 542841517 /nfs/dbraw/zinc/84/15/17/542841517.db2.gz FTNKCBRZZHJKKS-KLAILNCOSA-N 1 2 365.437 2.219 20 30 FEEDLO COc1cc(C[NH+]2CCN(CC#N)CC2)ccc1OCc1ccncc1 ZINC000092936142 542897055 /nfs/dbraw/zinc/89/70/55/542897055.db2.gz VHOFFHYUTMPWIH-UHFFFAOYSA-N 1 2 352.438 2.310 20 30 FEEDLO Cc1cccn2c(CN3CCN(Cc4ccc(C#N)cc4)C(=O)C3)c[nH+]c12 ZINC000093661352 542937762 /nfs/dbraw/zinc/93/77/62/542937762.db2.gz SSHZILCKDHZJII-UHFFFAOYSA-N 1 2 359.433 2.359 20 30 FEEDLO CSc1nc(C2CC2)cc(C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)c1C#N ZINC000104594066 543135634 /nfs/dbraw/zinc/13/56/34/543135634.db2.gz JAZFNEAAPQWSOA-STQMWFEESA-N 1 2 374.510 2.392 20 30 FEEDLO CCOCC[NH+]1CCN(C(=O)[C@@H](Oc2ccccc2C#N)C(C)C)CC1 ZINC000110921426 543374169 /nfs/dbraw/zinc/37/41/69/543374169.db2.gz DSLYCZBFNQRQRI-IBGZPJMESA-N 1 2 359.470 2.142 20 30 FEEDLO COc1cc(F)ccc1N1CC[NH+](CC(=O)NC2(C#N)CCCCC2)CC1 ZINC000115551649 543573606 /nfs/dbraw/zinc/57/36/06/543573606.db2.gz SAIHFPOFBNVNSH-UHFFFAOYSA-N 1 2 374.460 2.299 20 30 FEEDLO C#CCCCCNC(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000121823537 543699720 /nfs/dbraw/zinc/69/97/20/543699720.db2.gz KPXUDNHLLPDGDF-UHFFFAOYSA-N 1 2 359.470 2.000 20 30 FEEDLO CCC[N@H+](CC(=O)NC)CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000120175615 543676242 /nfs/dbraw/zinc/67/62/42/543676242.db2.gz ZIQVPJYNLOABCN-AWEZNQCLSA-N 1 2 362.499 2.335 20 30 FEEDLO CCC[N@@H+](CC(=O)NC)CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000120175615 543676244 /nfs/dbraw/zinc/67/62/44/543676244.db2.gz ZIQVPJYNLOABCN-AWEZNQCLSA-N 1 2 362.499 2.335 20 30 FEEDLO C=CCOc1ccc(C[NH+]2CCN(CC(=O)Nc3cc(C)on3)CC2)cc1 ZINC000123112960 543742620 /nfs/dbraw/zinc/74/26/20/543742620.db2.gz FYWYETHHFDPMEM-UHFFFAOYSA-N 1 2 370.453 2.304 20 30 FEEDLO C=CCNC(=O)C[NH+]1CCN(Cc2ccc(C)c(Br)c2)CC1 ZINC000122232887 543705016 /nfs/dbraw/zinc/70/50/16/543705016.db2.gz PHRCSJSLCGSNHU-UHFFFAOYSA-N 1 2 366.303 2.177 20 30 FEEDLO CC(C)(C)c1noc(CON=C(N)c2cccc(C[NH+]3CCOCC3)c2)n1 ZINC000123427563 543761204 /nfs/dbraw/zinc/76/12/04/543761204.db2.gz NJSPBZIDTUJDHV-UHFFFAOYSA-N 1 2 373.457 2.036 20 30 FEEDLO Cc1oc(NC(=O)[C@H](C)N2CC[NH+](Cc3ccncc3)CC2)c(C#N)c1C ZINC000124442946 543821854 /nfs/dbraw/zinc/82/18/54/543821854.db2.gz OTMJLYMOJDNVHX-HNNXBMFYSA-N 1 2 367.453 2.308 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)CNc1ccc([NH+]2CCCCC2)cc1C(N)=O ZINC000124124947 543802127 /nfs/dbraw/zinc/80/21/27/543802127.db2.gz RDMBZORJRBMMKS-FQEVSTJZSA-N 1 2 371.485 2.242 20 30 FEEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)c3cccc(Nc4ccc(C#N)cc4)c3)C[C@@H]21 ZINC000124208913 543807435 /nfs/dbraw/zinc/80/74/35/543807435.db2.gz BSNPGSODPKXXAH-VQTJNVASSA-N 1 2 362.433 2.457 20 30 FEEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)c3cccc(Nc4ccc(C#N)cc4)c3)C[C@@H]21 ZINC000124208913 543807438 /nfs/dbraw/zinc/80/74/38/543807438.db2.gz BSNPGSODPKXXAH-VQTJNVASSA-N 1 2 362.433 2.457 20 30 FEEDLO C[C@@H]1CCC[C@H](NC(=O)CN2CC[NH+](Cc3ccc(C#N)s3)CC2)C1 ZINC000131285559 544183649 /nfs/dbraw/zinc/18/36/49/544183649.db2.gz RMLXGGAMMBQSJD-CVEARBPZSA-N 1 2 360.527 2.432 20 30 FEEDLO C=C(C)COCCNC(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000135002105 544330776 /nfs/dbraw/zinc/33/07/76/544330776.db2.gz IYOIOXMUKQEGDV-IBGZPJMESA-N 1 2 361.486 2.260 20 30 FEEDLO C=CCNc1ncc(C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000136104681 544366649 /nfs/dbraw/zinc/36/66/49/544366649.db2.gz AUGQBJFCFOFBSP-BETUJISGSA-N 1 2 352.504 2.359 20 30 FEEDLO C=CCNc1ncc(C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000136104681 544366651 /nfs/dbraw/zinc/36/66/51/544366651.db2.gz AUGQBJFCFOFBSP-BETUJISGSA-N 1 2 352.504 2.359 20 30 FEEDLO C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2CC(=O)Nc2cccc(C#N)c2)C[C@H](C)O1 ZINC000139096452 544400151 /nfs/dbraw/zinc/40/01/51/544400151.db2.gz HAGNOHSBMYJALE-FCEWJHQRSA-N 1 2 356.470 2.070 20 30 FEEDLO C[C@@H]1CN(C[C@@H]2CCC[N@H+]2CC(=O)Nc2cccc(C#N)c2)C[C@H](C)O1 ZINC000139096452 544400153 /nfs/dbraw/zinc/40/01/53/544400153.db2.gz HAGNOHSBMYJALE-FCEWJHQRSA-N 1 2 356.470 2.070 20 30 FEEDLO N#Cc1cc(F)c(S(=O)(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)c(F)c1 ZINC000151127564 544507783 /nfs/dbraw/zinc/50/77/83/544507783.db2.gz CCQUMNMCYOPJOD-CYBMUJFWSA-N 1 2 365.361 2.073 20 30 FEEDLO C[N@@H+]1CCN(S(=O)(=O)c2ccc(C#N)cc2[N+](=O)[O-])c2ccccc2C1 ZINC000153141093 544738019 /nfs/dbraw/zinc/73/80/19/544738019.db2.gz DOQOMUCVQYWOJD-UHFFFAOYSA-N 1 2 372.406 2.107 20 30 FEEDLO C[N@H+]1CCN(S(=O)(=O)c2ccc(C#N)cc2[N+](=O)[O-])c2ccccc2C1 ZINC000153141093 544738022 /nfs/dbraw/zinc/73/80/22/544738022.db2.gz DOQOMUCVQYWOJD-UHFFFAOYSA-N 1 2 372.406 2.107 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)c(Cl)c1 ZINC000183371614 327813989 /nfs/dbraw/zinc/81/39/89/327813989.db2.gz WRSIVKVNOYQWQI-UHFFFAOYSA-N 1 2 362.842 2.118 20 30 FEEDLO N#Cc1cccnc1-n1cc(NC(=O)NCCCNc2cccc[nH+]2)cn1 ZINC000184629173 327876158 /nfs/dbraw/zinc/87/61/58/327876158.db2.gz GTMXVNOHFFLEDF-UHFFFAOYSA-N 1 2 362.397 2.158 20 30 FEEDLO CC[N@H+](C[C@H](O)C(F)(F)F)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192795087 328340266 /nfs/dbraw/zinc/34/02/66/328340266.db2.gz GCZAOXJVBZWNII-CABCVRRESA-N 1 2 355.360 2.299 20 30 FEEDLO CC[N@@H+](C[C@H](O)C(F)(F)F)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192795087 328340267 /nfs/dbraw/zinc/34/02/67/328340267.db2.gz GCZAOXJVBZWNII-CABCVRRESA-N 1 2 355.360 2.299 20 30 FEEDLO C[C@H]1CCCC[C@@H]1N(C)C(=O)C[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000193767044 328394038 /nfs/dbraw/zinc/39/40/38/328394038.db2.gz VNYPQZXSCAANPW-WMZOPIPTSA-N 1 2 355.486 2.112 20 30 FEEDLO Cc1cccc([C@H](CNC(=O)c2cc(C#N)cn2C)[NH+]2CCOCC2)c1 ZINC000081019442 325154215 /nfs/dbraw/zinc/15/42/15/325154215.db2.gz WCNSYLZNDPHPEU-IBGZPJMESA-N 1 2 352.438 2.009 20 30 FEEDLO N#Cc1ccsc1N1CC[C@@H]([NH+]2CCC(C(=O)N3CCCC3)CC2)C1=O ZINC000083132880 325213507 /nfs/dbraw/zinc/21/35/07/325213507.db2.gz ODHIPCVZUMWMBM-MRXNPFEDSA-N 1 2 372.494 2.059 20 30 FEEDLO COc1cc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)cc(OC)c1 ZINC000091936679 325398807 /nfs/dbraw/zinc/39/88/07/325398807.db2.gz VURCSCKGKJUVHI-AWEZNQCLSA-N 1 2 353.426 2.076 20 30 FEEDLO COc1cc(C[N@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)cc(OC)c1 ZINC000091936679 325398810 /nfs/dbraw/zinc/39/88/10/325398810.db2.gz VURCSCKGKJUVHI-AWEZNQCLSA-N 1 2 353.426 2.076 20 30 FEEDLO CSc1ccc(NC(=O)C[NH+]2CCN(c3ccc(C#N)cn3)CC2)cc1 ZINC000115674960 325972272 /nfs/dbraw/zinc/97/22/72/325972272.db2.gz PSIDFKBBEBFTGJ-UHFFFAOYSA-N 1 2 367.478 2.436 20 30 FEEDLO CCOC(=O)c1c[nH]n(C2CC[NH+](Cc3ccccc3C#N)CC2)c1=N ZINC000118838761 326106564 /nfs/dbraw/zinc/10/65/64/326106564.db2.gz GXEVJQGNWUUYOB-UHFFFAOYSA-N 1 2 353.426 2.181 20 30 FEEDLO C[C@H]1CN(c2ccc(CNC(=O)c3c(F)cc(C#N)cc3F)c[nH+]2)CCO1 ZINC000120800686 326289003 /nfs/dbraw/zinc/28/90/03/326289003.db2.gz CBARZPUYMFCJEP-LBPRGKRZSA-N 1 2 372.375 2.387 20 30 FEEDLO COc1cc(C#N)ccc1CN1CC[NH+]([C@H](C)C(=O)NC2CCCC2)CC1 ZINC000120842537 326292376 /nfs/dbraw/zinc/29/23/76/326292376.db2.gz UIFLMPUIJXHMRP-MRXNPFEDSA-N 1 2 370.497 2.132 20 30 FEEDLO COc1cc(C#N)ccc1C[NH+]1CCN([C@H](C)C(=O)NC2CCCC2)CC1 ZINC000120842537 326292378 /nfs/dbraw/zinc/29/23/78/326292378.db2.gz UIFLMPUIJXHMRP-MRXNPFEDSA-N 1 2 370.497 2.132 20 30 FEEDLO COc1cc(C#N)ccc1CN1CC[NH+]([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC000120842412 326292385 /nfs/dbraw/zinc/29/23/85/326292385.db2.gz UIFLMPUIJXHMRP-INIZCTEOSA-N 1 2 370.497 2.132 20 30 FEEDLO COc1cc(C#N)ccc1C[NH+]1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC000120842412 326292387 /nfs/dbraw/zinc/29/23/87/326292387.db2.gz UIFLMPUIJXHMRP-INIZCTEOSA-N 1 2 370.497 2.132 20 30 FEEDLO Cc1oc(NC(=O)C[NH+]2CCC(N3CCCCC3=O)CC2)c(C#N)c1C ZINC000153285751 326729089 /nfs/dbraw/zinc/72/90/89/326729089.db2.gz BHTHMPVZEHMSQK-UHFFFAOYSA-N 1 2 358.442 2.184 20 30 FEEDLO COc1cc(OC)cc([C@H](NC(=O)c2ccc(C#N)[nH]2)c2[nH+]ccn2C)c1 ZINC000153864888 326744956 /nfs/dbraw/zinc/74/49/56/326744956.db2.gz ACOBIXACOSSFFA-KRWDZBQOSA-N 1 2 365.393 2.156 20 30 FEEDLO COc1ccc2c(c1)C[N@H+]([C@@H]1CC(=O)N(c3ccc(C#N)cc3)C1=O)CC2 ZINC000170874168 327104343 /nfs/dbraw/zinc/10/43/43/327104343.db2.gz LVORMUOREBILNQ-LJQANCHMSA-N 1 2 361.401 2.257 20 30 FEEDLO COc1ccc2c(c1)C[N@@H+]([C@@H]1CC(=O)N(c3ccc(C#N)cc3)C1=O)CC2 ZINC000170874168 327104344 /nfs/dbraw/zinc/10/43/44/327104344.db2.gz LVORMUOREBILNQ-LJQANCHMSA-N 1 2 361.401 2.257 20 30 FEEDLO CC(C)N(C)C(=O)[C@H](C)[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000177649081 327535560 /nfs/dbraw/zinc/53/55/60/327535560.db2.gz RGROQDJVBSHGIK-AWEZNQCLSA-N 1 2 371.441 2.184 20 30 FEEDLO Cc1[nH+]c2ccccc2n1CCNC(=O)C(=O)Nc1cccc(C#N)c1C ZINC000178419850 327583765 /nfs/dbraw/zinc/58/37/65/327583765.db2.gz VMSRRRHTAWZZLO-UHFFFAOYSA-N 1 2 361.405 2.280 20 30 FEEDLO COc1ccccc1[C@H]1C[NH2+]CCN1S(=O)(=O)c1cc(C#N)ccc1C ZINC000261841363 328823540 /nfs/dbraw/zinc/82/35/40/328823540.db2.gz PDRMUOULBJWNJC-QGZVFWFLSA-N 1 2 371.462 2.211 20 30 FEEDLO CCN1CC[NH+]([C@H]2CCN(C(=O)N[C@@H](C)c3ccc(C#N)cc3)C2)CC1 ZINC000264370363 329015423 /nfs/dbraw/zinc/01/54/23/329015423.db2.gz GKODIRJTFYIGBB-LPHOPBHVSA-N 1 2 355.486 2.041 20 30 FEEDLO N#Cc1cnc2ccc(Cl)cc2c1N1CC[NH+](CC(=O)NC2CC2)CC1 ZINC000266053007 329185593 /nfs/dbraw/zinc/18/55/93/329185593.db2.gz DLXWLIQVDQBQNI-UHFFFAOYSA-N 1 2 369.856 2.160 20 30 FEEDLO COC(=O)[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)C1CC1 ZINC000276439011 330151919 /nfs/dbraw/zinc/15/19/19/330151919.db2.gz KXIFNPRYUMXKNH-INIZCTEOSA-N 1 2 361.467 2.368 20 30 FEEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000286425245 330183902 /nfs/dbraw/zinc/18/39/02/330183902.db2.gz INUAYTMACWBZKF-KYOSRNDESA-N 1 2 355.360 2.378 20 30 FEEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000286425245 330183903 /nfs/dbraw/zinc/18/39/03/330183903.db2.gz INUAYTMACWBZKF-KYOSRNDESA-N 1 2 355.360 2.378 20 30 FEEDLO Cc1oc(NC(=O)C[NH+]2CCC(OC3CCOCC3)CC2)c(C#N)c1C ZINC000364812274 330206720 /nfs/dbraw/zinc/20/67/20/330206720.db2.gz AKVMNLXHQXRFMI-UHFFFAOYSA-N 1 2 361.442 2.367 20 30 FEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H]1C[C@H](O)c1cnn(C)c1 ZINC000371460095 330244683 /nfs/dbraw/zinc/24/46/83/330244683.db2.gz QMTRNLBCPGELTD-FHWLQOOXSA-N 1 2 368.437 2.094 20 30 FEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H]1C[C@H](O)c1cnn(C)c1 ZINC000371460095 330244685 /nfs/dbraw/zinc/24/46/85/330244685.db2.gz QMTRNLBCPGELTD-FHWLQOOXSA-N 1 2 368.437 2.094 20 30 FEEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1C[C@H](O)c1ccccc1Cl ZINC000155658956 545555229 /nfs/dbraw/zinc/55/52/29/545555229.db2.gz VMOVAPMLRDJVFC-DYVFJYSZSA-N 1 2 357.845 2.246 20 30 FEEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1C[C@H](O)c1ccccc1Cl ZINC000155658956 545555231 /nfs/dbraw/zinc/55/52/31/545555231.db2.gz VMOVAPMLRDJVFC-DYVFJYSZSA-N 1 2 357.845 2.246 20 30 FEEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+](CCO)Cc1cccnc1 ZINC000157032866 545692328 /nfs/dbraw/zinc/69/23/28/545692328.db2.gz GUYSGCARZSTCGR-ZDUSSCGKSA-N 1 2 370.478 2.325 20 30 FEEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+](CCO)Cc1cccnc1 ZINC000157032866 545692332 /nfs/dbraw/zinc/69/23/32/545692332.db2.gz GUYSGCARZSTCGR-ZDUSSCGKSA-N 1 2 370.478 2.325 20 30 FEEDLO C[N@H+](Cc1cn(CCC#N)nc1-c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000157562443 545755277 /nfs/dbraw/zinc/75/52/77/545755277.db2.gz ZQAKLGPNCXQJDE-QGZVFWFLSA-N 1 2 358.467 2.083 20 30 FEEDLO C[N@@H+](Cc1cn(CCC#N)nc1-c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000157562443 545755283 /nfs/dbraw/zinc/75/52/83/545755283.db2.gz ZQAKLGPNCXQJDE-QGZVFWFLSA-N 1 2 358.467 2.083 20 30 FEEDLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(CC(=O)N[C@](C)(C#N)C2CC2)CC1 ZINC000159482846 545957614 /nfs/dbraw/zinc/95/76/14/545957614.db2.gz KNKGPGBBFJBTEQ-MGPUTAFESA-N 1 2 358.461 2.313 20 30 FEEDLO C=CCOc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)cc1OC ZINC000161005508 546093021 /nfs/dbraw/zinc/09/30/21/546093021.db2.gz MWHBSPWBFACKEB-GOSISDBHSA-N 1 2 360.454 2.083 20 30 FEEDLO C[C@@](C#N)(NC(=O)CN1CC[NH+](Cc2ccccc2Cl)CC1)C1CC1 ZINC000165791052 546153439 /nfs/dbraw/zinc/15/34/39/546153439.db2.gz QCMCCIASFUVJFU-IBGZPJMESA-N 1 2 360.889 2.266 20 30 FEEDLO C=CCN(C)S(=O)(=O)c1ccc(NC(=O)c2ccc3[nH+]ccn3c2)cc1 ZINC000170869592 546180705 /nfs/dbraw/zinc/18/07/05/546180705.db2.gz ICUUTABEOATZKK-UHFFFAOYSA-N 1 2 370.434 2.393 20 30 FEEDLO C=CCN(C(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000171457399 546209802 /nfs/dbraw/zinc/20/98/02/546209802.db2.gz KGVKWWSRNZNKNJ-MOTZXUDYSA-N 1 2 371.462 2.087 20 30 FEEDLO N#CCCn1cc(C(=O)C[N@H+]2CCC[C@@H](OCCO)C2)c2ccccc21 ZINC000172292791 546244811 /nfs/dbraw/zinc/24/48/11/546244811.db2.gz FYMIPUQFWKQKFE-MRXNPFEDSA-N 1 2 355.438 2.211 20 30 FEEDLO N#CCCn1cc(C(=O)C[N@@H+]2CCC[C@@H](OCCO)C2)c2ccccc21 ZINC000172292791 546244813 /nfs/dbraw/zinc/24/48/13/546244813.db2.gz FYMIPUQFWKQKFE-MRXNPFEDSA-N 1 2 355.438 2.211 20 30 FEEDLO Cn1c(C[N@H+](C)C[C@H](O)COc2ccc(C#N)cc2)nc2ccccc21 ZINC000177194347 546567505 /nfs/dbraw/zinc/56/75/05/546567505.db2.gz QPSYDFSBEYPKOZ-INIZCTEOSA-N 1 2 350.422 2.317 20 30 FEEDLO Cn1c(C[N@@H+](C)C[C@H](O)COc2ccc(C#N)cc2)nc2ccccc21 ZINC000177194347 546567507 /nfs/dbraw/zinc/56/75/07/546567507.db2.gz QPSYDFSBEYPKOZ-INIZCTEOSA-N 1 2 350.422 2.317 20 30 FEEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CC[C@](C)(O)C2)c1C#N ZINC000177975730 546716019 /nfs/dbraw/zinc/71/60/19/546716019.db2.gz VSLHXTNFXJNBCL-IBGZPJMESA-N 1 2 356.426 2.013 20 30 FEEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CC[C@](C)(O)C2)c1C#N ZINC000177975730 546716023 /nfs/dbraw/zinc/71/60/23/546716023.db2.gz VSLHXTNFXJNBCL-IBGZPJMESA-N 1 2 356.426 2.013 20 30 FEEDLO N#Cc1ccc(OCC(=O)N2CC[NH+](Cc3cccs3)CC2)c(F)c1 ZINC000178343687 546778091 /nfs/dbraw/zinc/77/80/91/546778091.db2.gz DQJPTWIXYXWZMZ-UHFFFAOYSA-N 1 2 359.426 2.482 20 30 FEEDLO CC[N@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)[C@H](C)CS(C)(=O)=O ZINC000180153744 547059111 /nfs/dbraw/zinc/05/91/11/547059111.db2.gz PEFRWKSPZOVOQM-CQSZACIVSA-N 1 2 360.483 2.214 20 30 FEEDLO CC[N@@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)[C@H](C)CS(C)(=O)=O ZINC000180153744 547059112 /nfs/dbraw/zinc/05/91/12/547059112.db2.gz PEFRWKSPZOVOQM-CQSZACIVSA-N 1 2 360.483 2.214 20 30 FEEDLO Cc1oc(NC(=O)[C@H](C)[NH+]2CCC(O[C@H]3CCOC3)CC2)c(C#N)c1C ZINC000483056328 561266192 /nfs/dbraw/zinc/26/61/92/561266192.db2.gz ONACXJGJEOOITA-BBRMVZONSA-N 1 2 361.442 2.365 20 30 FEEDLO CCN(C)c1ccc(C[N@@H+]2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)cn1 ZINC000483248391 561271678 /nfs/dbraw/zinc/27/16/78/561271678.db2.gz QFLYVODAWOSKPJ-HRAATJIYSA-N 1 2 361.449 2.383 20 30 FEEDLO CCN(C)c1ccc(C[N@H+]2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)cn1 ZINC000483248391 561271679 /nfs/dbraw/zinc/27/16/79/561271679.db2.gz QFLYVODAWOSKPJ-HRAATJIYSA-N 1 2 361.449 2.383 20 30 FEEDLO C=CCCS(=O)(=O)N1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000181403396 547307943 /nfs/dbraw/zinc/30/79/43/547307943.db2.gz VNXJOEXSJPZZMJ-UHFFFAOYSA-N 1 2 368.890 2.011 20 30 FEEDLO CC(C)Cn1cc[nH+]c1CNS(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000182414329 547488309 /nfs/dbraw/zinc/48/83/09/547488309.db2.gz WXDSPCBMDBZMJQ-UHFFFAOYSA-N 1 2 354.382 2.167 20 30 FEEDLO CC(C)C(=O)N1CCC[N@@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000182742169 547544000 /nfs/dbraw/zinc/54/40/00/547544000.db2.gz LZRUXGXQWCXFOO-IBGZPJMESA-N 1 2 368.481 2.244 20 30 FEEDLO CC(C)C(=O)N1CCC[N@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000182742169 547544004 /nfs/dbraw/zinc/54/40/04/547544004.db2.gz LZRUXGXQWCXFOO-IBGZPJMESA-N 1 2 368.481 2.244 20 30 FEEDLO Cn1cc(CN(CCC#N)CC[NH+]2CCOCC2)c(-c2cccs2)n1 ZINC000183373130 547647362 /nfs/dbraw/zinc/64/73/62/547647362.db2.gz SHDPWINDTVUIKE-UHFFFAOYSA-N 1 2 359.499 2.196 20 30 FEEDLO CCN(CCC#N)C(=O)C[N@H+](CCO)Cc1ccc(Br)s1 ZINC000485129988 561313404 /nfs/dbraw/zinc/31/34/04/561313404.db2.gz HWSWGMBRWOWNBA-UHFFFAOYSA-N 1 2 374.304 2.067 20 30 FEEDLO CCN(CCC#N)C(=O)C[N@@H+](CCO)Cc1ccc(Br)s1 ZINC000485129988 561313405 /nfs/dbraw/zinc/31/34/05/561313405.db2.gz HWSWGMBRWOWNBA-UHFFFAOYSA-N 1 2 374.304 2.067 20 30 FEEDLO C[NH+](C)[C@@H](CNS(=O)(=O)c1cc(C#N)ccc1Cl)c1ccco1 ZINC000186045934 548077922 /nfs/dbraw/zinc/07/79/22/548077922.db2.gz LVJFSDRRLGIPOM-ZDUSSCGKSA-N 1 2 353.831 2.386 20 30 FEEDLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](C#N)c1ccc(F)cc1 ZINC000485772315 561327565 /nfs/dbraw/zinc/32/75/65/561327565.db2.gz DGVKJBPBLZAKGQ-DLBZAZTESA-N 1 2 371.416 2.003 20 30 FEEDLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](C#N)c1ccc(F)cc1 ZINC000485772315 561327566 /nfs/dbraw/zinc/32/75/66/561327566.db2.gz DGVKJBPBLZAKGQ-DLBZAZTESA-N 1 2 371.416 2.003 20 30 FEEDLO C[N@H+](CC#Cc1ccccc1)CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000191926420 548352285 /nfs/dbraw/zinc/35/22/85/548352285.db2.gz FDXVXBBPRVVVSA-UHFFFAOYSA-N 1 2 363.461 2.445 20 30 FEEDLO C[N@@H+](CC#Cc1ccccc1)CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000191926420 548352291 /nfs/dbraw/zinc/35/22/91/548352291.db2.gz FDXVXBBPRVVVSA-UHFFFAOYSA-N 1 2 363.461 2.445 20 30 FEEDLO N#CCCN(CCOc1ccc(Cl)c(F)c1)CC[NH+]1CCOCC1 ZINC000192054533 548357014 /nfs/dbraw/zinc/35/70/14/548357014.db2.gz DXWPYMALUHRAAR-UHFFFAOYSA-N 1 2 355.841 2.406 20 30 FEEDLO COC(=O)[C@H]1C[C@H](O)C[N@@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000193129393 548379861 /nfs/dbraw/zinc/37/98/61/548379861.db2.gz WLDVYCWWSFDEBK-VQTJNVASSA-N 1 2 364.445 2.495 20 30 FEEDLO COC(=O)[C@H]1C[C@H](O)C[N@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000193129393 548379862 /nfs/dbraw/zinc/37/98/62/548379862.db2.gz WLDVYCWWSFDEBK-VQTJNVASSA-N 1 2 364.445 2.495 20 30 FEEDLO N#Cc1ccc(C(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)s1 ZINC000486709996 561354938 /nfs/dbraw/zinc/35/49/38/561354938.db2.gz NPGBTYHTGDMENG-UHFFFAOYSA-N 1 2 371.462 2.261 20 30 FEEDLO CCCCCCC[C@]1(C)NC(=O)N(NC(=O)CCc2c[nH+]cn2C)C1=O ZINC000194361406 548471032 /nfs/dbraw/zinc/47/10/32/548471032.db2.gz FCPPVPGEXARWMN-SFHVURJKSA-N 1 2 363.462 2.055 20 30 FEEDLO C#CCN(Cc1ccc(F)cc1)C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000194732741 548523334 /nfs/dbraw/zinc/52/33/34/548523334.db2.gz AFFDQTJPPVBBET-UHFFFAOYSA-N 1 2 368.456 2.433 20 30 FEEDLO CC(C)(C)OC(=O)N1CCC[N@H+](CC(=O)NC2(C#N)CCCCC2)CC1 ZINC000194853517 548541554 /nfs/dbraw/zinc/54/15/54/548541554.db2.gz YRRUMSUETQWJCY-UHFFFAOYSA-N 1 2 364.490 2.272 20 30 FEEDLO CC(C)(C)OC(=O)N1CCC[N@@H+](CC(=O)NC2(C#N)CCCCC2)CC1 ZINC000194853517 548541558 /nfs/dbraw/zinc/54/15/58/548541558.db2.gz YRRUMSUETQWJCY-UHFFFAOYSA-N 1 2 364.490 2.272 20 30 FEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000245778937 548993813 /nfs/dbraw/zinc/99/38/13/548993813.db2.gz LXXGMNDSGURKJB-QRFRQXIXSA-N 1 2 367.449 2.248 20 30 FEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000245778937 548993816 /nfs/dbraw/zinc/99/38/16/548993816.db2.gz LXXGMNDSGURKJB-QRFRQXIXSA-N 1 2 367.449 2.248 20 30 FEEDLO Cc1nc(C[C@@H]2CCC[N@@H+]([C@H]3CCN(c4sccc4C#N)C3=O)C2)no1 ZINC000246600027 549172044 /nfs/dbraw/zinc/17/20/44/549172044.db2.gz XKBHAJOLLVMWJW-ZFWWWQNUSA-N 1 2 371.466 2.371 20 30 FEEDLO Cc1nc(C[C@@H]2CCC[N@H+]([C@H]3CCN(c4sccc4C#N)C3=O)C2)no1 ZINC000246600027 549172048 /nfs/dbraw/zinc/17/20/48/549172048.db2.gz XKBHAJOLLVMWJW-ZFWWWQNUSA-N 1 2 371.466 2.371 20 30 FEEDLO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3nnc(-c4ccc(C#N)cc4)o3)[C@H]2C1 ZINC000246700749 549192036 /nfs/dbraw/zinc/19/20/36/549192036.db2.gz NCQKWIRBCQWUMR-IXDOHACOSA-N 1 2 354.410 2.377 20 30 FEEDLO CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3nnc(-c4ccc(C#N)cc4)o3)[C@H]2C1 ZINC000246700749 549192037 /nfs/dbraw/zinc/19/20/37/549192037.db2.gz NCQKWIRBCQWUMR-IXDOHACOSA-N 1 2 354.410 2.377 20 30 FEEDLO Cc1[nH+]c2ccccc2n1CCNS(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000488881622 561398800 /nfs/dbraw/zinc/39/88/00/561398800.db2.gz AKIIONNMPMHJET-UHFFFAOYSA-N 1 2 358.398 2.334 20 30 FEEDLO C[N@@H+]1CC[C@H](NC(=O)N2CCO[C@@H](C#N)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000247209306 549299428 /nfs/dbraw/zinc/29/94/28/549299428.db2.gz YUFPTJZYIZZVRH-VBNZEHGJSA-N 1 2 366.824 2.158 20 30 FEEDLO C[N@H+]1CC[C@H](NC(=O)N2CCO[C@@H](C#N)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000247209306 549299433 /nfs/dbraw/zinc/29/94/33/549299433.db2.gz YUFPTJZYIZZVRH-VBNZEHGJSA-N 1 2 366.824 2.158 20 30 FEEDLO C=CCCCS(=O)(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000489129597 561404092 /nfs/dbraw/zinc/40/40/92/561404092.db2.gz NDZFFMFFCNRWQR-UHFFFAOYSA-N 1 2 358.261 2.482 20 30 FEEDLO C=CCCCS(=O)(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000489475731 561412359 /nfs/dbraw/zinc/41/23/59/561412359.db2.gz MDRAMSORNKFKMP-UHFFFAOYSA-N 1 2 351.516 2.036 20 30 FEEDLO COCC[N@H+](CC(=O)c1cn(CCC#N)c2ccccc12)[C@H]1CCOC1 ZINC000490042932 561425019 /nfs/dbraw/zinc/42/50/19/561425019.db2.gz PIPMROIIKJXWIO-INIZCTEOSA-N 1 2 355.438 2.475 20 30 FEEDLO COCC[N@@H+](CC(=O)c1cn(CCC#N)c2ccccc12)[C@H]1CCOC1 ZINC000490042932 561425020 /nfs/dbraw/zinc/42/50/20/561425020.db2.gz PIPMROIIKJXWIO-INIZCTEOSA-N 1 2 355.438 2.475 20 30 FEEDLO C=CCNC(=O)NC(=O)C[N@@H+](CCC)[C@H](C)C(=O)Nc1ccccc1C ZINC000490066160 561425582 /nfs/dbraw/zinc/42/55/82/561425582.db2.gz LMBSBVHEKZRWQH-OAHLLOKOSA-N 1 2 360.458 2.046 20 30 FEEDLO C=CCNC(=O)NC(=O)C[N@H+](CCC)[C@H](C)C(=O)Nc1ccccc1C ZINC000490066160 561425583 /nfs/dbraw/zinc/42/55/83/561425583.db2.gz LMBSBVHEKZRWQH-OAHLLOKOSA-N 1 2 360.458 2.046 20 30 FEEDLO CCCC(=O)NC[C@@H]1CCC[N@H+](CC(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000263741768 549929500 /nfs/dbraw/zinc/92/95/00/549929500.db2.gz OLBXXWVGFGFKLY-HNNXBMFYSA-N 1 2 360.458 2.335 20 30 FEEDLO CCCC(=O)NC[C@@H]1CCC[N@@H+](CC(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000263741768 549929503 /nfs/dbraw/zinc/92/95/03/549929503.db2.gz OLBXXWVGFGFKLY-HNNXBMFYSA-N 1 2 360.458 2.335 20 30 FEEDLO C=C1CC[NH+](CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)CC1 ZINC000264456811 549996809 /nfs/dbraw/zinc/99/68/09/549996809.db2.gz JGVWPEPNCXRWOK-UHFFFAOYSA-N 1 2 371.890 2.181 20 30 FEEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+](C)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000264731199 550000189 /nfs/dbraw/zinc/00/01/89/550000189.db2.gz PNCLKLPMEXVSRA-BBRMVZONSA-N 1 2 362.861 2.138 20 30 FEEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+](C)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000264731199 550000191 /nfs/dbraw/zinc/00/01/91/550000191.db2.gz PNCLKLPMEXVSRA-BBRMVZONSA-N 1 2 362.861 2.138 20 30 FEEDLO C[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000264761535 550000971 /nfs/dbraw/zinc/00/09/71/550000971.db2.gz YHOVQXWIMNRPHQ-LPHOPBHVSA-N 1 2 374.872 2.186 20 30 FEEDLO C[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000264761535 550000974 /nfs/dbraw/zinc/00/09/74/550000974.db2.gz YHOVQXWIMNRPHQ-LPHOPBHVSA-N 1 2 374.872 2.186 20 30 FEEDLO COc1cccc(CNC(=O)[C@H](C)O[NH+]=C(N)[C@@H](C)OCC(C)C)c1 ZINC000266223266 550018333 /nfs/dbraw/zinc/01/83/33/550018333.db2.gz RSCYEYZNUQLKCS-KGLIPLIRSA-N 1 2 351.447 2.050 20 30 FEEDLO Cn1c[nH+]cc1CS(=O)(=O)Cc1cc(C#N)ccc1Br ZINC000491603442 561447084 /nfs/dbraw/zinc/44/70/84/561447084.db2.gz CQDMMXZNUDOVNC-UHFFFAOYSA-N 1 2 354.229 2.169 20 30 FEEDLO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)c1nc(-c2ccc(CC)cc2)no1 ZINC000268497117 550076981 /nfs/dbraw/zinc/07/69/81/550076981.db2.gz PHKNNLPPSVNVPN-QWHCGFSZSA-N 1 2 371.441 2.350 20 30 FEEDLO NC(=[NH+]OCC1CCS(=O)(=O)CC1)c1cccc(C(F)(F)F)c1 ZINC000271175695 550349017 /nfs/dbraw/zinc/34/90/17/550349017.db2.gz VCUCFAKSUWNJOT-UHFFFAOYSA-N 1 2 350.362 2.167 20 30 FEEDLO CCN(C[C@@H](C)C#N)C(=O)CN1CCc2c([nH+]cn2-c2ccccc2)C1 ZINC000272535270 550456723 /nfs/dbraw/zinc/45/67/23/550456723.db2.gz NADGTYHPGBFNRY-INIZCTEOSA-N 1 2 351.454 2.239 20 30 FEEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@H](NC(=O)NC2CC2)C1 ZINC000273922978 550516040 /nfs/dbraw/zinc/51/60/40/550516040.db2.gz DRCDGZQUJNHJMD-HNNXBMFYSA-N 1 2 374.510 2.439 20 30 FEEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CC[C@H](NC(=O)NC2CC2)C1 ZINC000273922978 550516041 /nfs/dbraw/zinc/51/60/41/550516041.db2.gz DRCDGZQUJNHJMD-HNNXBMFYSA-N 1 2 374.510 2.439 20 30 FEEDLO COc1ccccc1S(=O)(=O)CCCO[NH+]=C(N)[C@H](C)OCC(C)C ZINC000274296388 550531586 /nfs/dbraw/zinc/53/15/86/550531586.db2.gz MJNSSMJLQYTOEB-AWEZNQCLSA-N 1 2 372.487 2.209 20 30 FEEDLO C=C(C)[C@@H](NS(=O)(=O)CCC[NH+]1CCOCC1)c1ccc(F)c(F)c1 ZINC000274639214 550547395 /nfs/dbraw/zinc/54/73/95/550547395.db2.gz AOZPTTROVQDBTJ-QGZVFWFLSA-N 1 2 374.453 2.224 20 30 FEEDLO C=CCC[C@@H](C(=O)N1CCC[N@@H+](CC(=O)NCC)CC1)c1ccccc1 ZINC000275155736 550570896 /nfs/dbraw/zinc/57/08/96/550570896.db2.gz QFYBRMIRIFGNIV-LJQANCHMSA-N 1 2 357.498 2.407 20 30 FEEDLO C=CCC[C@@H](C(=O)N1CCC[N@H+](CC(=O)NCC)CC1)c1ccccc1 ZINC000275155736 550570898 /nfs/dbraw/zinc/57/08/98/550570898.db2.gz QFYBRMIRIFGNIV-LJQANCHMSA-N 1 2 357.498 2.407 20 30 FEEDLO C[NH+](C)C1(C#N)CCN(C(=O)N[C@H]2CCCN(c3ccccc3F)C2)CC1 ZINC000275151356 550571003 /nfs/dbraw/zinc/57/10/03/550571003.db2.gz SAQVDRSEYPVWJG-INIZCTEOSA-N 1 2 373.476 2.424 20 30 FEEDLO C[C@@H](C#N)CN(C)C(=O)C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000275752050 550574083 /nfs/dbraw/zinc/57/40/83/550574083.db2.gz YKNWACXUFGNJHA-ZDUSSCGKSA-N 1 2 353.426 2.319 20 30 FEEDLO Cn1c[nH+]cc1[C@H]1C[C@H](NC(=O)/C=C/c2ccc(OCC#N)cc2)CCO1 ZINC000276292284 550577803 /nfs/dbraw/zinc/57/78/03/550577803.db2.gz NNTKSYOFYNQJBN-HEIUPUGOSA-N 1 2 366.421 2.372 20 30 FEEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)C#Cc1ccc2c(c1)OCO2 ZINC000277600241 550690282 /nfs/dbraw/zinc/69/02/82/550690282.db2.gz PZNSFZIUYFRSCY-UHFFFAOYSA-N 1 2 353.422 2.465 20 30 FEEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1ccc(C(F)(F)F)cn1 ZINC000277607069 550691135 /nfs/dbraw/zinc/69/11/35/550691135.db2.gz FLHKHZFYXHCYGD-GFCCVEGCSA-N 1 2 362.359 2.473 20 30 FEEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1ccc(C(F)(F)F)cn1 ZINC000277607069 550691137 /nfs/dbraw/zinc/69/11/37/550691137.db2.gz FLHKHZFYXHCYGD-GFCCVEGCSA-N 1 2 362.359 2.473 20 30 FEEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000278250206 550765205 /nfs/dbraw/zinc/76/52/05/550765205.db2.gz MIPJEAVVSCJONG-AWEZNQCLSA-N 1 2 372.860 2.328 20 30 FEEDLO C=C[C@@](C)(O)CC(=O)NC1(c2noc(C[NH+](CC)CC)n2)CCCC1 ZINC000279195577 550863892 /nfs/dbraw/zinc/86/38/92/550863892.db2.gz KEVFLBMBQBFUPF-QGZVFWFLSA-N 1 2 350.463 2.124 20 30 FEEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1C[C@H](OC)C[C@H]1c1nnc(C)[nH]1 ZINC000495446250 561488179 /nfs/dbraw/zinc/48/81/79/561488179.db2.gz NHRZEKTZUYKIGC-KURKYZTESA-N 1 2 372.469 2.043 20 30 FEEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1C[C@H](OC)C[C@H]1c1nnc(C)[nH]1 ZINC000495446250 561488180 /nfs/dbraw/zinc/48/81/80/561488180.db2.gz NHRZEKTZUYKIGC-KURKYZTESA-N 1 2 372.469 2.043 20 30 FEEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2C[C@H](O)C(C)(C)C2)c1C#N ZINC000279816708 550932143 /nfs/dbraw/zinc/93/21/43/550932143.db2.gz QFXFUUKSSRRMOX-KRWDZBQOSA-N 1 2 370.453 2.259 20 30 FEEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2C[C@H](O)C(C)(C)C2)c1C#N ZINC000279816708 550932144 /nfs/dbraw/zinc/93/21/44/550932144.db2.gz QFXFUUKSSRRMOX-KRWDZBQOSA-N 1 2 370.453 2.259 20 30 FEEDLO COc1ccc(F)c2[nH]c(C(=O)N(CCC#N)CC[NH+]3CCOCC3)cc21 ZINC000279934408 550944497 /nfs/dbraw/zinc/94/44/97/550944497.db2.gz YKDFMWKRPPXNRK-UHFFFAOYSA-N 1 2 374.416 2.004 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)NCC[N@H+]2CC=CCC2)c(C(F)(F)F)c1 ZINC000280162501 550966888 /nfs/dbraw/zinc/96/68/88/550966888.db2.gz GMQHRSUIUSPZJW-UHFFFAOYSA-N 1 2 359.373 2.117 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)NCC[N@@H+]2CC=CCC2)c(C(F)(F)F)c1 ZINC000280162501 550966890 /nfs/dbraw/zinc/96/68/90/550966890.db2.gz GMQHRSUIUSPZJW-UHFFFAOYSA-N 1 2 359.373 2.117 20 30 FEEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000280252845 550974627 /nfs/dbraw/zinc/97/46/27/550974627.db2.gz BQKSDGBMSZKYOM-FUHIMQAGSA-N 1 2 357.454 2.202 20 30 FEEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000280252845 550974628 /nfs/dbraw/zinc/97/46/28/550974628.db2.gz BQKSDGBMSZKYOM-FUHIMQAGSA-N 1 2 357.454 2.202 20 30 FEEDLO N#Cc1ccc(C[C@H](C#N)C(=O)N2CC[NH+](Cc3cccc(O)c3)CC2)cc1 ZINC000280412186 550991038 /nfs/dbraw/zinc/99/10/38/550991038.db2.gz OWMXPZMOJVKJSE-HXUWFJFHSA-N 1 2 374.444 2.291 20 30 FEEDLO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCO[C@]3(CCO[C@@H]3C)C2)cc1C ZINC000280600630 551012113 /nfs/dbraw/zinc/01/21/13/551012113.db2.gz XDVGHBOJLFNCGU-WIYYLYMNSA-N 1 2 371.481 2.430 20 30 FEEDLO Cc1ccc(N(CCC#N)C(=O)C[N@H+]2CCO[C@]3(CCO[C@@H]3C)C2)cc1C ZINC000280600630 551012114 /nfs/dbraw/zinc/01/21/14/551012114.db2.gz XDVGHBOJLFNCGU-WIYYLYMNSA-N 1 2 371.481 2.430 20 30 FEEDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)C(=O)Nc1cccc(C#N)c1 ZINC000280722943 551025307 /nfs/dbraw/zinc/02/53/07/551025307.db2.gz NHPPOYOOPPEJFT-MRXNPFEDSA-N 1 2 351.410 2.467 20 30 FEEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+](C)[C@H]1CCN(CC=C)C1=O ZINC000281243683 551077423 /nfs/dbraw/zinc/07/74/23/551077423.db2.gz GHJXTODHHMFZRD-WBVHZDCISA-N 1 2 361.511 2.370 20 30 FEEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+](C)[C@H]1CCN(CC=C)C1=O ZINC000281243683 551077425 /nfs/dbraw/zinc/07/74/25/551077425.db2.gz GHJXTODHHMFZRD-WBVHZDCISA-N 1 2 361.511 2.370 20 30 FEEDLO C#C[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1)C(C)C ZINC000281538283 551110745 /nfs/dbraw/zinc/11/07/45/551110745.db2.gz NBMRNRAZRUMGCD-OAHLLOKOSA-N 1 2 352.438 2.475 20 30 FEEDLO COc1cc(C[NH+]2CCN(C(=O)c3ccccc3O)CC2)ccc1C#N ZINC000282117266 551182806 /nfs/dbraw/zinc/18/28/06/551182806.db2.gz AOJSSZQZEWCSJM-UHFFFAOYSA-N 1 2 351.406 2.230 20 30 FEEDLO CN(C)S(=O)(=O)c1cccc2c1CC[N@H+](Cc1ccc(C#N)cc1)C2 ZINC000284932192 551670413 /nfs/dbraw/zinc/67/04/13/551670413.db2.gz WFYAXHMRWYZPOL-UHFFFAOYSA-N 1 2 355.463 2.367 20 30 FEEDLO CN(C)S(=O)(=O)c1cccc2c1CC[N@@H+](Cc1ccc(C#N)cc1)C2 ZINC000284932192 551670416 /nfs/dbraw/zinc/67/04/16/551670416.db2.gz WFYAXHMRWYZPOL-UHFFFAOYSA-N 1 2 355.463 2.367 20 30 FEEDLO Cc1cc[nH+]c(C)c1NC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000287510601 552013503 /nfs/dbraw/zinc/01/35/03/552013503.db2.gz MEISUWVMHWORMG-QGZVFWFLSA-N 1 2 363.421 2.493 20 30 FEEDLO Cc1onc(CC(=O)Nc2cc(C[NH+]3CCOCC3)ccc2C)c1C#N ZINC000499873343 561560296 /nfs/dbraw/zinc/56/02/96/561560296.db2.gz SIHLJWKHXWXVCJ-UHFFFAOYSA-N 1 2 354.410 2.177 20 30 FEEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCCN(c3cc(C)ccc3F)C2=O)C1=O ZINC000500017511 561564142 /nfs/dbraw/zinc/56/41/42/561564142.db2.gz JNBVOXVJIGYLKC-IAGOWNOFSA-N 1 2 359.445 2.348 20 30 FEEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H]2CCCN(c3cc(C)ccc3F)C2=O)C1=O ZINC000500017511 561564143 /nfs/dbraw/zinc/56/41/43/561564143.db2.gz JNBVOXVJIGYLKC-IAGOWNOFSA-N 1 2 359.445 2.348 20 30 FEEDLO COC(=O)c1cc(C[NH+]2CCN(c3snc(C)c3C#N)CC2)oc1C ZINC000289386599 552312466 /nfs/dbraw/zinc/31/24/66/552312466.db2.gz DAALNWJAIVRFKZ-UHFFFAOYSA-N 1 2 360.439 2.333 20 30 FEEDLO C[NH+](C)Cc1cc(NS(=O)(=O)c2ccc(C#N)nc2)ccc1Cl ZINC000500791397 561582589 /nfs/dbraw/zinc/58/25/89/561582589.db2.gz CWPKIHVKXHSQHF-UHFFFAOYSA-N 1 2 350.831 2.469 20 30 FEEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000291944519 552677097 /nfs/dbraw/zinc/67/70/97/552677097.db2.gz UGSYPKIBBYKYDX-GJZGRUSLSA-N 1 2 351.397 2.271 20 30 FEEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000291944519 552677098 /nfs/dbraw/zinc/67/70/98/552677098.db2.gz UGSYPKIBBYKYDX-GJZGRUSLSA-N 1 2 351.397 2.271 20 30 FEEDLO CS(=O)(=O)C[C@@H]1CC[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000292094088 552693298 /nfs/dbraw/zinc/69/32/98/552693298.db2.gz DNCJTTJMXTXWDJ-CQSZACIVSA-N 1 2 361.385 2.303 20 30 FEEDLO CS(=O)(=O)C[C@@H]1CC[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000292094088 552693299 /nfs/dbraw/zinc/69/32/99/552693299.db2.gz DNCJTTJMXTXWDJ-CQSZACIVSA-N 1 2 361.385 2.303 20 30 FEEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000293677815 552846208 /nfs/dbraw/zinc/84/62/08/552846208.db2.gz AEZLOHWMHVRQGD-INIZCTEOSA-N 1 2 373.482 2.171 20 30 FEEDLO C#CC[C@@]1(C(=O)NCc2[nH+]ccn2CC)CCCN1C(=O)OC(C)(C)C ZINC000295542629 553023111 /nfs/dbraw/zinc/02/31/11/553023111.db2.gz CUMUPVLBGJEIGB-IBGZPJMESA-N 1 2 360.458 2.312 20 30 FEEDLO C[N@@H+]1CCO[C@H]([C@@H](NC(=O)c2cc(C#N)ccn2)c2ccc(Cl)cc2)C1 ZINC000502861984 561628194 /nfs/dbraw/zinc/62/81/94/561628194.db2.gz NNZWCBPWBKTXGA-ROUUACIJSA-N 1 2 370.840 2.408 20 30 FEEDLO C[N@H+]1CCO[C@H]([C@@H](NC(=O)c2cc(C#N)ccn2)c2ccc(Cl)cc2)C1 ZINC000502861984 561628195 /nfs/dbraw/zinc/62/81/95/561628195.db2.gz NNZWCBPWBKTXGA-ROUUACIJSA-N 1 2 370.840 2.408 20 30 FEEDLO C#CCOc1ccc(F)cc1NC(=O)N[C@@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000298530629 553436562 /nfs/dbraw/zinc/43/65/62/553436562.db2.gz SCDRIFVTUJUZIY-INIZCTEOSA-N 1 2 374.416 2.453 20 30 FEEDLO CN(C(=O)C[N@@H+]1CCNC(=O)C[C@H]1c1ccccc1)C1(C#N)CCCCC1 ZINC000299049576 553508429 /nfs/dbraw/zinc/50/84/29/553508429.db2.gz PMJSBYIPZDLUQH-SFHVURJKSA-N 1 2 368.481 2.234 20 30 FEEDLO CN(C(=O)C[N@H+]1CCNC(=O)C[C@H]1c1ccccc1)C1(C#N)CCCCC1 ZINC000299049576 553508433 /nfs/dbraw/zinc/50/84/33/553508433.db2.gz PMJSBYIPZDLUQH-SFHVURJKSA-N 1 2 368.481 2.234 20 30 FEEDLO CCn1cc[nH+]c1[C@H](NC(=O)CNc1cccc(C#N)c1)C1CCOCC1 ZINC000503887339 561649312 /nfs/dbraw/zinc/64/93/12/561649312.db2.gz BNQCQMBKZCYDLD-LJQANCHMSA-N 1 2 367.453 2.471 20 30 FEEDLO Cc1[nH][nH]c(=NC(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@]23CCOC3)c1C#N ZINC000602191795 553536413 /nfs/dbraw/zinc/53/64/13/553536413.db2.gz ZWAXZNMSYNTEJR-XLIONFOSSA-N 1 2 365.437 2.067 20 30 FEEDLO Cc1[nH][nH]c(=NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@]23CCOC3)c1C#N ZINC000602191795 553536415 /nfs/dbraw/zinc/53/64/15/553536415.db2.gz ZWAXZNMSYNTEJR-XLIONFOSSA-N 1 2 365.437 2.067 20 30 FEEDLO CC(C)(C)n1nc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1C1CC1 ZINC000299495271 553571548 /nfs/dbraw/zinc/57/15/48/553571548.db2.gz DVZKXWPCKDVZFR-UHFFFAOYSA-N 1 2 373.501 2.204 20 30 FEEDLO CC(C)c1nc(C2CC[NH+](CC(=O)N(CCC#N)CCC#N)CC2)no1 ZINC000299608784 553588421 /nfs/dbraw/zinc/58/84/21/553588421.db2.gz GGYXGDNIDKEFCG-UHFFFAOYSA-N 1 2 358.446 2.028 20 30 FEEDLO CC[C@H](C)NC(=O)C[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000299642737 553594541 /nfs/dbraw/zinc/59/45/41/553594541.db2.gz QKCGTHAUVLRHLC-HNNXBMFYSA-N 1 2 351.454 2.143 20 30 FEEDLO Cc1ccc(N2CC[NH+](CC(=O)N[C@H]3CCC[C@H](C)C3)CC2)nc1C#N ZINC000302640024 553723735 /nfs/dbraw/zinc/72/37/35/553723735.db2.gz LASPGDGKFVXQIK-RDJZCZTQSA-N 1 2 355.486 2.079 20 30 FEEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+](C)Cc1cnc(N(C)C)nc1 ZINC000505481843 561671715 /nfs/dbraw/zinc/67/17/15/561671715.db2.gz XJJCVMPMQBQKKY-INIZCTEOSA-N 1 2 366.469 2.310 20 30 FEEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)Cc1cnc(N(C)C)nc1 ZINC000505481843 561671716 /nfs/dbraw/zinc/67/17/16/561671716.db2.gz XJJCVMPMQBQKKY-INIZCTEOSA-N 1 2 366.469 2.310 20 30 FEEDLO C=CCCc1ccccc1NC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000505673102 561677227 /nfs/dbraw/zinc/67/72/27/561677227.db2.gz VBURZQJDVZYGRR-SFHVURJKSA-N 1 2 371.481 2.067 20 30 FEEDLO C[C@H](N1CCN(C(=O)NC[C@H]2CCCn3cc[nH+]c32)CC1)C(F)(F)F ZINC000328608959 553795669 /nfs/dbraw/zinc/79/56/69/553795669.db2.gz MHCHQQSLBCRSOX-QWHCGFSZSA-N 1 2 359.396 2.243 20 30 FEEDLO C[C@H](C(=O)N1CCCCC1)[N@@H+]1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000328700759 553809328 /nfs/dbraw/zinc/80/93/28/553809328.db2.gz WHOUCRSKIILYEP-SIFCLUCFSA-N 1 2 352.438 2.382 20 30 FEEDLO C[C@H](C(=O)N1CCCCC1)[N@H+]1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000328700759 553809329 /nfs/dbraw/zinc/80/93/29/553809329.db2.gz WHOUCRSKIILYEP-SIFCLUCFSA-N 1 2 352.438 2.382 20 30 FEEDLO CC[C@H](C(=O)N[C@@H]1CCCN(c2cccnc2)C1=O)[N@@H+]1CCO[C@H](CC)C1 ZINC000328764894 553818639 /nfs/dbraw/zinc/81/86/39/553818639.db2.gz GPVDWOQOONLHSP-KZNAEPCWSA-N 1 2 374.485 2.423 20 30 FEEDLO CC[C@H](C(=O)N[C@@H]1CCCN(c2cccnc2)C1=O)[N@H+]1CCO[C@H](CC)C1 ZINC000328764894 553818641 /nfs/dbraw/zinc/81/86/41/553818641.db2.gz GPVDWOQOONLHSP-KZNAEPCWSA-N 1 2 374.485 2.423 20 30 FEEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1CC(=O)NC1CCN(C(C)=O)CC1 ZINC000328849778 553832428 /nfs/dbraw/zinc/83/24/28/553832428.db2.gz RLFYJVWPXVPEEO-KRWDZBQOSA-N 1 2 361.490 2.397 20 30 FEEDLO CCO[C@@H]1C[C@H](NC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)C12CCCC2 ZINC000328889967 553839590 /nfs/dbraw/zinc/83/95/90/553839590.db2.gz RHCOFGOIOXNWCZ-LTIDMASMSA-N 1 2 351.491 2.043 20 30 FEEDLO CCO[C@@H]1C[C@H](NC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)C12CCCC2 ZINC000328889967 553839591 /nfs/dbraw/zinc/83/95/91/553839591.db2.gz RHCOFGOIOXNWCZ-LTIDMASMSA-N 1 2 351.491 2.043 20 30 FEEDLO CC(=O)N[C@H](CC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1)c1ccc(C)cc1 ZINC000328908752 553843084 /nfs/dbraw/zinc/84/30/84/553843084.db2.gz MIMLIUYIMRJAAP-QRVBRYPASA-N 1 2 359.470 2.334 20 30 FEEDLO CC(=O)N[C@H](CC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1)c1ccc(C)cc1 ZINC000328908752 553843088 /nfs/dbraw/zinc/84/30/88/553843088.db2.gz MIMLIUYIMRJAAP-QRVBRYPASA-N 1 2 359.470 2.334 20 30 FEEDLO O=C(C[N@H+]1CCOC[C@@H]1[C@@H]1CCC[C@H]1O)NC(=O)NC1CCCCC1 ZINC000328974475 553856716 /nfs/dbraw/zinc/85/67/16/553856716.db2.gz PQDAENMBGAYHCG-ARFHVFGLSA-N 1 2 353.463 2.051 20 30 FEEDLO O=C(C[N@@H+]1CCOC[C@@H]1[C@@H]1CCC[C@H]1O)NC(=O)NC1CCCCC1 ZINC000328974475 553856718 /nfs/dbraw/zinc/85/67/18/553856718.db2.gz PQDAENMBGAYHCG-ARFHVFGLSA-N 1 2 353.463 2.051 20 30 FEEDLO Cn1cc(C[NH+]2CCN(C(=O)N[C@@H]3CCO[C@H](C(C)(C)C)C3)CC2)cn1 ZINC000328983801 553858733 /nfs/dbraw/zinc/85/87/33/553858733.db2.gz ZAMIVWMRXTYGQT-SJORKVTESA-N 1 2 363.506 2.045 20 30 FEEDLO CC(C)Cn1ncc(NC(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)c1C(F)F ZINC000329004241 553862803 /nfs/dbraw/zinc/86/28/03/553862803.db2.gz YHGSITFGXVDMEM-ZIAGYGMSSA-N 1 2 371.432 2.427 20 30 FEEDLO CC(C)Cn1ncc(NC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)c1C(F)F ZINC000329004241 553862804 /nfs/dbraw/zinc/86/28/04/553862804.db2.gz YHGSITFGXVDMEM-ZIAGYGMSSA-N 1 2 371.432 2.427 20 30 FEEDLO Cc1ccc(C(=O)N2CC[NH+]([C@H](C)C(=O)NC3CCCC3)CC2)c(=O)[nH]1 ZINC000329033004 553868523 /nfs/dbraw/zinc/86/85/23/553868523.db2.gz XTKDSRXERQLIOL-CQSZACIVSA-N 1 2 360.458 2.141 20 30 FEEDLO O=C(N[C@@H]1CCO[C@]2(CCOC2)C1)c1ccccc1C[NH+]1CCOCC1 ZINC000329116400 553882971 /nfs/dbraw/zinc/88/29/71/553882971.db2.gz NHYHCKLBMSCYEZ-YLJYHZDGSA-N 1 2 360.454 2.162 20 30 FEEDLO O=C(NCc1ccc(N2CCOCC2)[nH+]c1)N1CCC[C@H]1C1CCOCC1 ZINC000329227771 553906464 /nfs/dbraw/zinc/90/64/64/553906464.db2.gz IJDRVFBFJKPFHS-SFHVURJKSA-N 1 2 374.485 2.223 20 30 FEEDLO CC1(C)C[C@H](NC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)C(C)(C)O1 ZINC000329245504 553910051 /nfs/dbraw/zinc/91/00/51/553910051.db2.gz QOLAAQRCCUUELV-KBXCAEBGSA-N 1 2 371.547 2.044 20 30 FEEDLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)N1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000329303957 553921747 /nfs/dbraw/zinc/92/17/47/553921747.db2.gz XAWXTMLTZLXPDJ-MSOLQXFVSA-N 1 2 374.416 2.305 20 30 FEEDLO O=C(N[C@@H]1CCN(C(=O)C2CCCCC2)C1)C1([NH+]2CCOCC2)CCC1 ZINC000329326423 553925979 /nfs/dbraw/zinc/92/59/79/553925979.db2.gz JHSZTDBXPTVVLZ-QGZVFWFLSA-N 1 2 363.502 2.379 20 30 FEEDLO Cc1cc(N2CCC(NC(=O)[C@H]3COCC[N@@H+]3CC3CCC3)CC2)n[nH]1 ZINC000329344614 553929015 /nfs/dbraw/zinc/92/90/15/553929015.db2.gz QPCSNDMTTMTZSS-QGZVFWFLSA-N 1 2 361.490 2.144 20 30 FEEDLO Cc1cc(N2CCC(NC(=O)[C@H]3COCC[N@H+]3CC3CCC3)CC2)n[nH]1 ZINC000329344614 553929016 /nfs/dbraw/zinc/92/90/16/553929016.db2.gz QPCSNDMTTMTZSS-QGZVFWFLSA-N 1 2 361.490 2.144 20 30 FEEDLO CC(C)(CNC(=O)N1CCO[C@H](C2CCCCC2)C1)[NH+]1CCOCC1 ZINC000329407053 553940712 /nfs/dbraw/zinc/94/07/12/553940712.db2.gz CYPKMAFTYOXPCF-KRWDZBQOSA-N 1 2 353.507 2.292 20 30 FEEDLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)C1CCS(=O)(=O)CC1 ZINC000329412044 553941826 /nfs/dbraw/zinc/94/18/26/553941826.db2.gz DJYIHOOWLSRNPA-UHFFFAOYSA-N 1 2 351.472 2.353 20 30 FEEDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(C)n([C@@H](C)C3CC3)n2)CC1 ZINC000329486445 553955894 /nfs/dbraw/zinc/95/58/94/553955894.db2.gz RBYFFMSLTIFSKH-HNNXBMFYSA-N 1 2 361.490 2.287 20 30 FEEDLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(C)n([C@@H](C)C3CC3)n2)CC1 ZINC000329486445 553955895 /nfs/dbraw/zinc/95/58/95/553955895.db2.gz RBYFFMSLTIFSKH-HNNXBMFYSA-N 1 2 361.490 2.287 20 30 FEEDLO COCCn1cc2c(n1)[C@H](NC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)CCC2 ZINC000329493798 553957261 /nfs/dbraw/zinc/95/72/61/553957261.db2.gz FBSPKGPNJKWKFI-IAGOWNOFSA-N 1 2 372.473 2.182 20 30 FEEDLO Cc1[nH+]c2ccccc2n1CCC(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000329543604 553965161 /nfs/dbraw/zinc/96/51/61/553965161.db2.gz OAEYHBNWSYRZGW-CQSZACIVSA-N 1 2 364.471 2.115 20 30 FEEDLO CN1C(=O)CC[C@@H]1C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000329589067 553972422 /nfs/dbraw/zinc/97/24/22/553972422.db2.gz ZDUCIDFOWWAXLW-HLLBOEOZSA-N 1 2 365.861 2.289 20 30 FEEDLO CN1C(=O)CC[C@@H]1C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000329589067 553972426 /nfs/dbraw/zinc/97/24/26/553972426.db2.gz ZDUCIDFOWWAXLW-HLLBOEOZSA-N 1 2 365.861 2.289 20 30 FEEDLO Cc1cc(C)nc(-n2cc(C(=O)NC[C@H]3C[N@H+](C)CCO3)c(C(C)C)n2)n1 ZINC000329609957 553976189 /nfs/dbraw/zinc/97/61/89/553976189.db2.gz JEDIAMLUWAAORQ-HNNXBMFYSA-N 1 2 372.473 2.038 20 30 FEEDLO Cc1cc(C)nc(-n2cc(C(=O)NC[C@H]3C[N@@H+](C)CCO3)c(C(C)C)n2)n1 ZINC000329609957 553976190 /nfs/dbraw/zinc/97/61/90/553976190.db2.gz JEDIAMLUWAAORQ-HNNXBMFYSA-N 1 2 372.473 2.038 20 30 FEEDLO O=C(CN1CCN(Cc2[nH]cc[nH+]2)CC1)NC12CC3CC(CC(C3)C1)C2 ZINC000329703616 553991748 /nfs/dbraw/zinc/99/17/48/553991748.db2.gz IVNAOCMNONTAQM-UHFFFAOYSA-N 1 2 357.502 2.453 20 30 FEEDLO C[C@@H](C(=O)Nc1ccc2c(c1)OC(F)(F)O2)[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000329870881 554022514 /nfs/dbraw/zinc/02/25/14/554022514.db2.gz AIEUXICSKINBFW-ZBEGNZNMSA-N 1 2 370.352 2.476 20 30 FEEDLO C[C@@H](C(=O)Nc1ccc2c(c1)OC(F)(F)O2)[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC000329870881 554022516 /nfs/dbraw/zinc/02/25/16/554022516.db2.gz AIEUXICSKINBFW-ZBEGNZNMSA-N 1 2 370.352 2.476 20 30 FEEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)CN1CCOc2ccc(Cl)cc21 ZINC000329874473 554023074 /nfs/dbraw/zinc/02/30/74/554023074.db2.gz CVZYGMWWCSYTCO-CYBMUJFWSA-N 1 2 353.850 2.216 20 30 FEEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)CN1CCOc2ccc(Cl)cc21 ZINC000329874473 554023077 /nfs/dbraw/zinc/02/30/77/554023077.db2.gz CVZYGMWWCSYTCO-CYBMUJFWSA-N 1 2 353.850 2.216 20 30 FEEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)NCc3nc4cc(Cl)ccc4s3)C[C@H]21 ZINC000329892490 554025786 /nfs/dbraw/zinc/02/57/86/554025786.db2.gz AACBOZGDRBIVBR-CHWSQXEVSA-N 1 2 366.874 2.379 20 30 FEEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)NCc3nc4cc(Cl)ccc4s3)C[C@H]21 ZINC000329892490 554025788 /nfs/dbraw/zinc/02/57/88/554025788.db2.gz AACBOZGDRBIVBR-CHWSQXEVSA-N 1 2 366.874 2.379 20 30 FEEDLO CO[C@H]1C[C@H](C(=O)N[C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)N(C(C)=O)C1 ZINC000329899725 554027733 /nfs/dbraw/zinc/02/77/33/554027733.db2.gz NFMSQNLUDRSJLW-QLFBSQMISA-N 1 2 362.474 2.088 20 30 FEEDLO Cc1cc(C[N@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)NC[C@@]2(C)CCOC2)on1 ZINC000329902389 554028105 /nfs/dbraw/zinc/02/81/05/554028105.db2.gz HOTMYBMSAOEKNS-RLFYNMQTSA-N 1 2 368.453 2.168 20 30 FEEDLO Cc1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)NC[C@@]2(C)CCOC2)on1 ZINC000329902389 554028108 /nfs/dbraw/zinc/02/81/08/554028108.db2.gz HOTMYBMSAOEKNS-RLFYNMQTSA-N 1 2 368.453 2.168 20 30 FEEDLO C[C@@H]1OCC[C@@]12C[N@H+](CC(=O)NCCOc1ccc(F)cc1)CCO2 ZINC000329929644 554033566 /nfs/dbraw/zinc/03/35/66/554033566.db2.gz YYXCJUKEZNCVGI-KBXCAEBGSA-N 1 2 352.406 2.041 20 30 FEEDLO C[C@@H]1OCC[C@@]12C[N@@H+](CC(=O)NCCOc1ccc(F)cc1)CCO2 ZINC000329929644 554033571 /nfs/dbraw/zinc/03/35/71/554033571.db2.gz YYXCJUKEZNCVGI-KBXCAEBGSA-N 1 2 352.406 2.041 20 30 FEEDLO CCO[C@@H]1C[C@@H](NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)C12CCOCC2 ZINC000329981043 554043525 /nfs/dbraw/zinc/04/35/25/554043525.db2.gz MONWFKICYWDIKT-HZPDHXFCSA-N 1 2 362.474 2.477 20 30 FEEDLO CN(C)c1ccc(CNC(=O)N[C@H]2CCN(C(=O)C3CCCCC3)C2)c[nH+]1 ZINC000329988321 554045064 /nfs/dbraw/zinc/04/50/64/554045064.db2.gz UEPDVZJUXUPIOE-KRWDZBQOSA-N 1 2 373.501 2.332 20 30 FEEDLO CCN1CCN(C(=O)NCCc2nc(C)c(C)s2)C[C@H]1c1[nH]cc[nH+]1 ZINC000329990852 554045094 /nfs/dbraw/zinc/04/50/94/554045094.db2.gz JJOZRHHQAHTCAU-AWEZNQCLSA-N 1 2 362.503 2.318 20 30 FEEDLO C[C@@H]1C[N@H+](CC(=O)Nc2ccc3c(c2)OC(F)(F)O3)C[C@@]2(CCOC2)O1 ZINC000330084615 554061569 /nfs/dbraw/zinc/06/15/69/554061569.db2.gz CEVGHNRPFZEJQP-BDJLRTHQSA-N 1 2 370.352 2.476 20 30 FEEDLO C[C@@H]1C[N@@H+](CC(=O)Nc2ccc3c(c2)OC(F)(F)O3)C[C@@]2(CCOC2)O1 ZINC000330084615 554061570 /nfs/dbraw/zinc/06/15/70/554061570.db2.gz CEVGHNRPFZEJQP-BDJLRTHQSA-N 1 2 370.352 2.476 20 30 FEEDLO C[C@H](NC(=O)C1CCCCC1)C(=O)N1CC[C@@H]([N@H+](C)Cc2ncccn2)C1 ZINC000330099416 554064646 /nfs/dbraw/zinc/06/46/46/554064646.db2.gz ZTEQALZNJZAWPJ-DOTOQJQBSA-N 1 2 373.501 2.435 20 30 FEEDLO C[C@H](NC(=O)C1CCCCC1)C(=O)N1CC[C@@H]([N@@H+](C)Cc2ncccn2)C1 ZINC000330099416 554064648 /nfs/dbraw/zinc/06/46/48/554064648.db2.gz ZTEQALZNJZAWPJ-DOTOQJQBSA-N 1 2 373.501 2.435 20 30 FEEDLO Cc1ccn2cc(CNC(=O)[C@H](C)S(=O)(=O)C3CCOCC3)[nH+]c2c1 ZINC000330126655 554069544 /nfs/dbraw/zinc/06/95/44/554069544.db2.gz CZIQUPTUQCPSQT-ZDUSSCGKSA-N 1 2 365.455 2.082 20 30 FEEDLO CC1(C)COCC[N@@H+]1CCNC(=O)NC[C@H]1CCO[C@@H]1c1ccccc1 ZINC000330153842 554075093 /nfs/dbraw/zinc/07/50/93/554075093.db2.gz OIVVXBIYMQJWCZ-QZTJIDSGSA-N 1 2 361.486 2.379 20 30 FEEDLO CC1(C)COCC[N@H+]1CCNC(=O)NC[C@H]1CCO[C@@H]1c1ccccc1 ZINC000330153842 554075095 /nfs/dbraw/zinc/07/50/95/554075095.db2.gz OIVVXBIYMQJWCZ-QZTJIDSGSA-N 1 2 361.486 2.379 20 30 FEEDLO O=C(NCc1ccc(N2CCCC2)[nH+]c1)[C@@H]1CC12CCS(=O)(=O)CC2 ZINC000330166847 554077255 /nfs/dbraw/zinc/07/72/55/554077255.db2.gz YJVCCOAFZIPTFF-HNNXBMFYSA-N 1 2 363.483 2.353 20 30 FEEDLO O=C(CC1CCCCC1)N1CCN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330278138 554098271 /nfs/dbraw/zinc/09/82/71/554098271.db2.gz PFTIBLVWMAHFLR-QGZVFWFLSA-N 1 2 373.501 2.227 20 30 FEEDLO Cc1nc2ccnn2c(C)c1C(=O)N[C@@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000330339764 554107941 /nfs/dbraw/zinc/10/79/41/554107941.db2.gz XBYFKIPVVFCIFB-HIFRSBDPSA-N 1 2 354.414 2.305 20 30 FEEDLO CCN(C[C@H](C)C#N)S(=O)(=O)N1CCCC[C@@H]1c1[nH+]ccn1CC ZINC000330385635 554114247 /nfs/dbraw/zinc/11/42/47/554114247.db2.gz LNPKGTYENHWWFS-HUUCEWRRSA-N 1 2 353.492 2.156 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000330429738 554120724 /nfs/dbraw/zinc/12/07/24/554120724.db2.gz VIJJYAOSUIQQOU-UZLBHIALSA-N 1 2 353.470 2.123 20 30 FEEDLO C[C@@H]1C[N@H+](C)[C@H](C)CN1S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000507933778 561746270 /nfs/dbraw/zinc/74/62/70/561746270.db2.gz IQVIMDABLVMAHB-GHMZBOCLSA-N 1 2 361.389 2.290 20 30 FEEDLO C[C@@H]1C[N@@H+](C)[C@H](C)CN1S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000507933778 561746272 /nfs/dbraw/zinc/74/62/72/561746272.db2.gz IQVIMDABLVMAHB-GHMZBOCLSA-N 1 2 361.389 2.290 20 30 FEEDLO COc1cc(Br)ccc1C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000330614969 554146454 /nfs/dbraw/zinc/14/64/54/554146454.db2.gz BYDSQYYFJHNQAT-LLVKDONJSA-N 1 2 357.248 2.483 20 30 FEEDLO COc1cc(Br)ccc1C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000330614969 554146456 /nfs/dbraw/zinc/14/64/56/554146456.db2.gz BYDSQYYFJHNQAT-LLVKDONJSA-N 1 2 357.248 2.483 20 30 FEEDLO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)c2cc(O)ccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000330975001 554196431 /nfs/dbraw/zinc/19/64/31/554196431.db2.gz SZGXKDYRSAHRNB-TXEJJXNPSA-N 1 2 351.403 2.493 20 30 FEEDLO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)c2cc(O)ccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000330975001 554196433 /nfs/dbraw/zinc/19/64/33/554196433.db2.gz SZGXKDYRSAHRNB-TXEJJXNPSA-N 1 2 351.403 2.493 20 30 FEEDLO C[N@@H+](Cc1cc(C#N)ccc1Br)C[C@H]1CCS(=O)(=O)C1 ZINC000331131847 554218819 /nfs/dbraw/zinc/21/88/19/554218819.db2.gz BDVDTKZLNWRZEB-GFCCVEGCSA-N 1 2 357.273 2.187 20 30 FEEDLO C[N@H+](Cc1cc(C#N)ccc1Br)C[C@H]1CCS(=O)(=O)C1 ZINC000331131847 554218820 /nfs/dbraw/zinc/21/88/20/554218820.db2.gz BDVDTKZLNWRZEB-GFCCVEGCSA-N 1 2 357.273 2.187 20 30 FEEDLO Cc1ccc(NC(=O)NC(=O)C[NH+]2CCC(O)(C(F)F)CC2)c(C)c1 ZINC000331178182 554226488 /nfs/dbraw/zinc/22/64/88/554226488.db2.gz YAKIMQDHWCNWPC-UHFFFAOYSA-N 1 2 355.385 2.057 20 30 FEEDLO CC(C)[C@@H]1CCCC[C@@H]1NC(=O)N1CCO[C@H](C[N@H+](C)CC(N)=O)C1 ZINC000331229923 554234252 /nfs/dbraw/zinc/23/42/52/554234252.db2.gz HFMFAPNOVAIXBY-PMPSAXMXSA-N 1 2 354.495 2.283 20 30 FEEDLO CC(C)[C@@H]1CCCC[C@@H]1NC(=O)N1CCO[C@H](C[N@@H+](C)CC(N)=O)C1 ZINC000331229923 554234253 /nfs/dbraw/zinc/23/42/53/554234253.db2.gz HFMFAPNOVAIXBY-PMPSAXMXSA-N 1 2 354.495 2.283 20 30 FEEDLO Cc1cc(C)c(Br)c(C(=O)N[C@@H](CO)C[NH+]2CCOCC2)c1 ZINC000331238646 554234866 /nfs/dbraw/zinc/23/48/66/554234866.db2.gz IUGBUWBHUXKKMA-CYBMUJFWSA-N 1 2 371.275 2.064 20 30 FEEDLO C[C@@H](CNS(=O)(=O)c1ccc(C#N)s1)[N@@H+]1CCc2sccc2C1 ZINC000331677123 554306519 /nfs/dbraw/zinc/30/65/19/554306519.db2.gz SYSPRRWGHKDSOQ-NSHDSACASA-N 1 2 367.521 2.406 20 30 FEEDLO C[C@@H](CNS(=O)(=O)c1ccc(C#N)s1)[N@H+]1CCc2sccc2C1 ZINC000331677123 554306521 /nfs/dbraw/zinc/30/65/21/554306521.db2.gz SYSPRRWGHKDSOQ-NSHDSACASA-N 1 2 367.521 2.406 20 30 FEEDLO Cn1cc(C#N)c(=NC(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)[nH]1 ZINC000610561953 554529355 /nfs/dbraw/zinc/52/93/55/554529355.db2.gz GOLCISWDXLFJIO-UHFFFAOYSA-N 1 2 374.395 2.356 20 30 FEEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)c2cc3ccccc3n2CC#N)c1C#N ZINC000611166259 554611362 /nfs/dbraw/zinc/61/13/62/554611362.db2.gz FRXXYPMFDPMDBO-UHFFFAOYSA-N 1 2 361.409 2.164 20 30 FEEDLO CCCN(CC(=O)Nc1ccccc1C)C(=O)C[NH+]1CCC(F)(C#N)CC1 ZINC000510938490 561851632 /nfs/dbraw/zinc/85/16/32/561851632.db2.gz SMSWWHHSWJCSMP-UHFFFAOYSA-N 1 2 374.460 2.500 20 30 FEEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+](C)[C@@H]2CCN(C)C2=O)c1C#N ZINC000511603595 561874189 /nfs/dbraw/zinc/87/41/89/561874189.db2.gz IDTOXHZTSGVGMT-QGZVFWFLSA-N 1 2 371.485 2.193 20 30 FEEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+](C)[C@@H]2CCN(C)C2=O)c1C#N ZINC000511603595 561874190 /nfs/dbraw/zinc/87/41/90/561874190.db2.gz IDTOXHZTSGVGMT-QGZVFWFLSA-N 1 2 371.485 2.193 20 30 FEEDLO Cc1nn(C)c(C)c1[C@H]1COCC[N@@H+]1CCC(=O)Nc1ccccc1C#N ZINC000362619610 554975824 /nfs/dbraw/zinc/97/58/24/554975824.db2.gz CLVQCHRYTCAEAW-GOSISDBHSA-N 1 2 367.453 2.311 20 30 FEEDLO Cc1nn(C)c(C)c1[C@H]1COCC[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000362619610 554975825 /nfs/dbraw/zinc/97/58/25/554975825.db2.gz CLVQCHRYTCAEAW-GOSISDBHSA-N 1 2 367.453 2.311 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)N2CC[NH+]([C@@H]3CCSC3)CC2)c(Cl)c1 ZINC000364135095 555256811 /nfs/dbraw/zinc/25/68/11/555256811.db2.gz IWRXOPGLXGVQQR-CYBMUJFWSA-N 1 2 371.915 2.023 20 30 FEEDLO Cc1ncsc1CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000512542907 561908678 /nfs/dbraw/zinc/90/86/78/561908678.db2.gz WSQCTOBIJVZASP-UHFFFAOYSA-N 1 2 355.467 2.351 20 30 FEEDLO Cc1[nH+]c2ccccn2c1[C@H]1C(=O)NCCN1Cc1cc(C#N)ccc1F ZINC000365160658 555498491 /nfs/dbraw/zinc/49/84/91/555498491.db2.gz AJFNKODVLCRLJO-IBGZPJMESA-N 1 2 363.396 2.327 20 30 FEEDLO C=CCOc1cccc(NC(=O)C(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000365481286 555587119 /nfs/dbraw/zinc/58/71/19/555587119.db2.gz JSPHYLUVUWDHBO-OAHLLOKOSA-N 1 2 368.437 2.330 20 30 FEEDLO CC(C)(CNc1ccc(C(F)(F)F)c(C#N)n1)[NH+]1CCS(=O)CC1 ZINC000619696001 555822437 /nfs/dbraw/zinc/82/24/37/555822437.db2.gz PISVZSLHEBMRAF-UHFFFAOYSA-N 1 2 360.405 2.227 20 30 FEEDLO N#CC1(c2ccccn2)CC[NH+](CC(=O)N2CCO[C@H]3CCCC[C@@H]32)CC1 ZINC000367057566 556000642 /nfs/dbraw/zinc/00/06/42/556000642.db2.gz KUNPBUFUXJBIIZ-ROUUACIJSA-N 1 2 368.481 2.109 20 30 FEEDLO C[C@H]([C@@H]1Cc2ccccc2O1)[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000367298238 556011774 /nfs/dbraw/zinc/01/17/74/556011774.db2.gz BRKYPMZMINIEIQ-KDOFPFPSSA-N 1 2 371.462 2.051 20 30 FEEDLO C[C@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000367298238 556011776 /nfs/dbraw/zinc/01/17/76/556011776.db2.gz BRKYPMZMINIEIQ-KDOFPFPSSA-N 1 2 371.462 2.051 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)NCc2ccnc(-n3cc[nH+]c3)c2)c(Cl)c1 ZINC000368039898 556202139 /nfs/dbraw/zinc/20/21/39/556202139.db2.gz YCZKXPYCHASVLG-UHFFFAOYSA-N 1 2 373.825 2.271 20 30 FEEDLO N#Cc1cccc(CNC(=O)C[N@H+]2CC=C(c3cncc(F)c3)CC2)c1 ZINC000368050091 556204985 /nfs/dbraw/zinc/20/49/85/556204985.db2.gz YQPCDDLLUWBLSV-UHFFFAOYSA-N 1 2 350.397 2.498 20 30 FEEDLO N#Cc1cccc(CNC(=O)C[N@@H+]2CC=C(c3cncc(F)c3)CC2)c1 ZINC000368050091 556204987 /nfs/dbraw/zinc/20/49/87/556204987.db2.gz YQPCDDLLUWBLSV-UHFFFAOYSA-N 1 2 350.397 2.498 20 30 FEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](CCOC)[C@@H]1CCCc2cccnc21 ZINC000368373060 556290476 /nfs/dbraw/zinc/29/04/76/556290476.db2.gz AVGUVJOVOQNLDP-FUHWJXTLSA-N 1 2 358.486 2.416 20 30 FEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](CCOC)[C@@H]1CCCc2cccnc21 ZINC000368373060 556290477 /nfs/dbraw/zinc/29/04/77/556290477.db2.gz AVGUVJOVOQNLDP-FUHWJXTLSA-N 1 2 358.486 2.416 20 30 FEEDLO Cc1cc(S(=O)(=O)N2CC[N@@H+](C)[C@H](Cc3ccccc3)C2)ccc1C#N ZINC000515305459 562004266 /nfs/dbraw/zinc/00/42/66/562004266.db2.gz XQPLBTOTQYIQDP-LJQANCHMSA-N 1 2 369.490 2.414 20 30 FEEDLO Cc1cc(S(=O)(=O)N2CC[N@H+](C)[C@H](Cc3ccccc3)C2)ccc1C#N ZINC000515305459 562004267 /nfs/dbraw/zinc/00/42/67/562004267.db2.gz XQPLBTOTQYIQDP-LJQANCHMSA-N 1 2 369.490 2.414 20 30 FEEDLO CCC(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000368670155 556380771 /nfs/dbraw/zinc/38/07/71/556380771.db2.gz RAJUVTVLUIZARX-CABCVRRESA-N 1 2 360.483 2.424 20 30 FEEDLO CCC(=O)N1CCC[C@H]1[C@H]1CCC[N@H+]1CC(=O)Nc1sccc1C#N ZINC000368670155 556380773 /nfs/dbraw/zinc/38/07/73/556380773.db2.gz RAJUVTVLUIZARX-CABCVRRESA-N 1 2 360.483 2.424 20 30 FEEDLO CC1(C)C[N@@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@@]2(CCCOC2)O1 ZINC000369786142 556695023 /nfs/dbraw/zinc/69/50/23/556695023.db2.gz DSLUHZPWQGWXLY-GHTZIAJQSA-N 1 2 369.465 2.324 20 30 FEEDLO CC1(C)C[N@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@@]2(CCCOC2)O1 ZINC000369786142 556695024 /nfs/dbraw/zinc/69/50/24/556695024.db2.gz DSLUHZPWQGWXLY-GHTZIAJQSA-N 1 2 369.465 2.324 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ncc(-c2ccc(C#N)cc2)o1 ZINC000369905070 556726510 /nfs/dbraw/zinc/72/65/10/556726510.db2.gz VEGPGZOMATWOPL-UHFFFAOYSA-N 1 2 365.437 2.261 20 30 FEEDLO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)NC[C@H](C)Cn3cc[nH+]c3)C2)n1 ZINC000370028044 556761958 /nfs/dbraw/zinc/76/19/58/556761958.db2.gz SKBINCDJOJOANB-YJBOKZPZSA-N 1 2 366.469 2.127 20 30 FEEDLO Cc1sc(NC(=O)C[NH+]2CCC(C(=O)NC3CC3)CC2)c(C#N)c1C ZINC000370205714 556810050 /nfs/dbraw/zinc/81/00/50/556810050.db2.gz DPFQYWYPBPEFGO-UHFFFAOYSA-N 1 2 360.483 2.166 20 30 FEEDLO Cc1cc(N2CCC(NC(=O)[C@H](C)Oc3ccccc3C#N)CC2)nc[nH+]1 ZINC000370273103 556826675 /nfs/dbraw/zinc/82/66/75/556826675.db2.gz QFSMVGJJVAFVOZ-HNNXBMFYSA-N 1 2 365.437 2.209 20 30 FEEDLO N#Cc1ccc(SCC(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)cc1 ZINC000370545709 556904690 /nfs/dbraw/zinc/90/46/90/556904690.db2.gz HLZASLKUYLWADY-QZTJIDSGSA-N 1 2 359.495 2.410 20 30 FEEDLO Cc1oc(NC(=O)C[N@@H+]2CCCC[C@@H]2CN2CCCC2=O)c(C#N)c1C ZINC000370898557 557007443 /nfs/dbraw/zinc/00/74/43/557007443.db2.gz DSEWQQFIPRDNJJ-OAHLLOKOSA-N 1 2 358.442 2.184 20 30 FEEDLO Cc1oc(NC(=O)C[N@H+]2CCCC[C@@H]2CN2CCCC2=O)c(C#N)c1C ZINC000370898557 557007447 /nfs/dbraw/zinc/00/74/47/557007447.db2.gz DSEWQQFIPRDNJJ-OAHLLOKOSA-N 1 2 358.442 2.184 20 30 FEEDLO Cc1cc(C[NH+]2CCC(N(C)S(=O)(=O)c3ccccc3C#N)CC2)on1 ZINC000371018452 557047614 /nfs/dbraw/zinc/04/76/14/557047614.db2.gz NDPIXPLASDFMAM-UHFFFAOYSA-N 1 2 374.466 2.140 20 30 FEEDLO N#Cc1nc(-c2ccco2)oc1N1CC[NH+](Cc2ncccc2O)CC1 ZINC000517262536 562083206 /nfs/dbraw/zinc/08/32/06/562083206.db2.gz ULPXTYNAOPTQFK-UHFFFAOYSA-N 1 2 351.366 2.229 20 30 FEEDLO N#Cc1cccc(NC(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)n1 ZINC000517564955 562092604 /nfs/dbraw/zinc/09/26/04/562092604.db2.gz PTZOPQPROKHLFU-KRWDZBQOSA-N 1 2 351.410 2.148 20 30 FEEDLO Cc1cn2c([nH+]1)CN(C(=O)C(=O)Nc1ccccc1SCCC#N)CC2 ZINC000371734487 557278487 /nfs/dbraw/zinc/27/84/87/557278487.db2.gz GAWCFSNXZIGSCU-UHFFFAOYSA-N 1 2 369.450 2.178 20 30 FEEDLO Cc1csc(NC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)c1C#N ZINC000519176570 562126597 /nfs/dbraw/zinc/12/65/97/562126597.db2.gz BPEZRRITHOSDDN-UHFFFAOYSA-N 1 2 360.443 2.101 20 30 FEEDLO C[C@@H](O)c1cn(C2C[NH+](Cc3cccn3Cc3ccccc3C#N)C2)nn1 ZINC000372463838 557477111 /nfs/dbraw/zinc/47/71/11/557477111.db2.gz NHMRQXNGZOEOIE-OAHLLOKOSA-N 1 2 362.437 2.110 20 30 FEEDLO COc1ccc([NH+]2CCC(N(C)C(=O)C3(C#N)CCOCC3)CC2)cc1 ZINC000372607553 557519490 /nfs/dbraw/zinc/51/94/90/557519490.db2.gz MYPWEFXYMRABHF-UHFFFAOYSA-N 1 2 357.454 2.443 20 30 FEEDLO Cc1nc(N[C@@H]2CCCN(Cc3[nH+]ccn3C)C2=O)c(Cl)cc1C#N ZINC000519574717 562135361 /nfs/dbraw/zinc/13/53/61/562135361.db2.gz QNNSGYKUZWFQPI-CQSZACIVSA-N 1 2 358.833 2.252 20 30 FEEDLO Cn1cc(CN(CCn2cc[nH+]c2)C(=O)C2(c3cccc(C#N)c3)CC2)cn1 ZINC000519759929 562142952 /nfs/dbraw/zinc/14/29/52/562142952.db2.gz OQKAXKJXMFADQW-UHFFFAOYSA-N 1 2 374.448 2.249 20 30 FEEDLO N#Cc1ccc(N2CCN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)CC2)c(Cl)c1 ZINC000373117128 557632281 /nfs/dbraw/zinc/63/22/81/557632281.db2.gz CKICKZXUENBOTE-OAHLLOKOSA-N 1 2 369.856 2.319 20 30 FEEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)N2CC=C(c3ccccc3)CC2)C1=O ZINC000374071361 557818050 /nfs/dbraw/zinc/81/80/50/557818050.db2.gz YQRASIDUCKRVSB-LJQANCHMSA-N 1 2 353.466 2.021 20 30 FEEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)N2CC=C(c3ccccc3)CC2)C1=O ZINC000374071361 557818052 /nfs/dbraw/zinc/81/80/52/557818052.db2.gz YQRASIDUCKRVSB-LJQANCHMSA-N 1 2 353.466 2.021 20 30 FEEDLO N#Cc1cccc(-n2ccc(C(=O)NCCc3cn4c([nH+]3)CCCC4)n2)c1 ZINC000374186021 557840278 /nfs/dbraw/zinc/84/02/78/557840278.db2.gz ZJJSZHJZOFDESZ-UHFFFAOYSA-N 1 2 360.421 2.249 20 30 FEEDLO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000374325008 557865876 /nfs/dbraw/zinc/86/58/76/557865876.db2.gz CJMOTIVHZMMZOW-KRWDZBQOSA-N 1 2 368.824 2.453 20 30 FEEDLO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000374325008 557865877 /nfs/dbraw/zinc/86/58/77/557865877.db2.gz CJMOTIVHZMMZOW-KRWDZBQOSA-N 1 2 368.824 2.453 20 30 FEEDLO N#C[C@H]1C[N@@H+](Cc2ccc(-n3ccnc3)nc2)C[C@]12C(=O)Nc1ccccc12 ZINC000374355052 557870732 /nfs/dbraw/zinc/87/07/32/557870732.db2.gz XDVZPVMBSPBPPH-KKSFZXQISA-N 1 2 370.416 2.113 20 30 FEEDLO N#C[C@H]1C[N@H+](Cc2ccc(-n3ccnc3)nc2)C[C@]12C(=O)Nc1ccccc12 ZINC000374355052 557870734 /nfs/dbraw/zinc/87/07/34/557870734.db2.gz XDVZPVMBSPBPPH-KKSFZXQISA-N 1 2 370.416 2.113 20 30 FEEDLO N#Cc1ccc(N2CCC[C@H]([NH+]3CCC(c4nc[nH]n4)CC3)C2=O)cc1 ZINC000374899147 557947986 /nfs/dbraw/zinc/94/79/86/557947986.db2.gz VAFNWFHHBXJSIU-KRWDZBQOSA-N 1 2 350.426 2.051 20 30 FEEDLO C=C1CC[NH+](CC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)OC)CC1 ZINC000521252364 562173023 /nfs/dbraw/zinc/17/30/23/562173023.db2.gz INMUOKIYILBOOU-GOSISDBHSA-N 1 2 355.438 2.020 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCSC3(CCCCC3)C2)nc1 ZINC000521308124 562174044 /nfs/dbraw/zinc/17/40/44/562174044.db2.gz PUFWMUGLNIZVLS-UHFFFAOYSA-N 1 2 365.524 2.479 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCSC3(CCCCC3)C2)nc1 ZINC000521308124 562174045 /nfs/dbraw/zinc/17/40/45/562174045.db2.gz PUFWMUGLNIZVLS-UHFFFAOYSA-N 1 2 365.524 2.479 20 30 FEEDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)NCc2ccc(OCC#N)cc2)C1 ZINC000375518383 558041937 /nfs/dbraw/zinc/04/19/37/558041937.db2.gz CLTWHIGIKDCGCF-MRXNPFEDSA-N 1 2 353.426 2.412 20 30 FEEDLO Cc1cc(N2CCC(NC(=O)[C@@H](C#N)Cc3ccc(C#N)cc3)CC2)nc[nH+]1 ZINC000375669118 558064954 /nfs/dbraw/zinc/06/49/54/558064954.db2.gz NZZQJLCWNCATQK-GOSISDBHSA-N 1 2 374.448 2.124 20 30 FEEDLO C#CCn1ccc(CN(CC)C(=O)N[C@@H]2CCCN(c3cccc[nH+]3)C2)n1 ZINC000375756328 558077765 /nfs/dbraw/zinc/07/77/65/558077765.db2.gz PQUQPIMDMAAHSD-QGZVFWFLSA-N 1 2 366.469 2.112 20 30 FEEDLO C=CCc1ccc(OCC(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)c(OC)c1 ZINC000521491060 562177536 /nfs/dbraw/zinc/17/75/36/562177536.db2.gz INVBHDNRZGMGOG-JKSUJKDBSA-N 1 2 362.470 2.028 20 30 FEEDLO Cc1nc(C[N@@H+](C)[C@H]2CCCN(C(=O)c3cc(C#N)cs3)CC2)no1 ZINC000376244783 558146784 /nfs/dbraw/zinc/14/67/84/558146784.db2.gz MQXDPTABSNBZAF-AWEZNQCLSA-N 1 2 359.455 2.438 20 30 FEEDLO Cc1nc(C[N@H+](C)[C@H]2CCCN(C(=O)c3cc(C#N)cs3)CC2)no1 ZINC000376244783 558146786 /nfs/dbraw/zinc/14/67/86/558146786.db2.gz MQXDPTABSNBZAF-AWEZNQCLSA-N 1 2 359.455 2.438 20 30 FEEDLO C[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc(C#N)o2)[C@@H]1c1ccc(F)c(F)c1 ZINC000376353561 558162117 /nfs/dbraw/zinc/16/21/17/558162117.db2.gz YWHUPIHSZGTPDB-ZBFHGGJFSA-N 1 2 367.377 2.153 20 30 FEEDLO C[N@H+]1CC[C@@H](NS(=O)(=O)c2ccc(C#N)o2)[C@@H]1c1ccc(F)c(F)c1 ZINC000376353561 558162118 /nfs/dbraw/zinc/16/21/18/558162118.db2.gz YWHUPIHSZGTPDB-ZBFHGGJFSA-N 1 2 367.377 2.153 20 30 FEEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)C1 ZINC000376397791 558167856 /nfs/dbraw/zinc/16/78/56/558167856.db2.gz TVDNSQZDAWZKGL-CVEARBPZSA-N 1 2 367.428 2.273 20 30 FEEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)C1 ZINC000376397798 558167999 /nfs/dbraw/zinc/16/79/99/558167999.db2.gz TVDNSQZDAWZKGL-JKSUJKDBSA-N 1 2 367.428 2.273 20 30 FEEDLO Cc1nc(C[N@@H+](C)[C@@H]2CCCN(c3nnc(C)c(C)c3C#N)CC2)no1 ZINC000376692284 558209501 /nfs/dbraw/zinc/20/95/01/558209501.db2.gz WVYFAIKBDXYAOT-OAHLLOKOSA-N 1 2 355.446 2.147 20 30 FEEDLO Cc1nc(C[N@H+](C)[C@@H]2CCCN(c3nnc(C)c(C)c3C#N)CC2)no1 ZINC000376692284 558209502 /nfs/dbraw/zinc/20/95/02/558209502.db2.gz WVYFAIKBDXYAOT-OAHLLOKOSA-N 1 2 355.446 2.147 20 30 FEEDLO C[C@H]([NH2+]CC(=O)NCc1cccc(C#N)c1)c1cn(-c2ccccc2)nn1 ZINC000376835408 558227808 /nfs/dbraw/zinc/22/78/08/558227808.db2.gz CMGHQGKPNREVIH-HNNXBMFYSA-N 1 2 360.421 2.106 20 30 FEEDLO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCN(c3ccncc3C#N)CC2)C1 ZINC000377135574 558273985 /nfs/dbraw/zinc/27/39/85/558273985.db2.gz DUQQCNJOMKICID-MRXNPFEDSA-N 1 2 357.458 2.085 20 30 FEEDLO Cc1cc(C[NH+]2CCC(N(C)S(=O)(=O)CCC(C)(C)C#N)CC2)on1 ZINC000377834435 558431425 /nfs/dbraw/zinc/43/14/25/558431425.db2.gz LODZBSJLPDRPKK-UHFFFAOYSA-N 1 2 368.503 2.149 20 30 FEEDLO COC(=O)c1ccc(C[N@@H+]2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)cc1 ZINC000378285130 558519507 /nfs/dbraw/zinc/51/95/07/558519507.db2.gz HTGDTVLZDALJNL-IERDGZPVSA-N 1 2 361.401 2.319 20 30 FEEDLO COC(=O)c1ccc(C[N@H+]2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)cc1 ZINC000378285130 558519508 /nfs/dbraw/zinc/51/95/08/558519508.db2.gz HTGDTVLZDALJNL-IERDGZPVSA-N 1 2 361.401 2.319 20 30 FEEDLO COC(=O)CN1CCC[N@H+](Cc2ccc(C#N)cc2Br)CC1 ZINC000378484219 558567214 /nfs/dbraw/zinc/56/72/14/558567214.db2.gz UKMCGICHKJOMPN-UHFFFAOYSA-N 1 2 366.259 2.001 20 30 FEEDLO COC(=O)CN1CCC[N@@H+](Cc2ccc(C#N)cc2Br)CC1 ZINC000378484219 558567218 /nfs/dbraw/zinc/56/72/18/558567218.db2.gz UKMCGICHKJOMPN-UHFFFAOYSA-N 1 2 366.259 2.001 20 30 FEEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)[C@@H](C)C[N@@H+]1C ZINC000409510747 558699254 /nfs/dbraw/zinc/69/92/54/558699254.db2.gz UEDKJHXPUBCBON-MNOVXSKESA-N 1 2 361.389 2.290 20 30 FEEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)[C@@H](C)C[N@H+]1C ZINC000409510747 558699255 /nfs/dbraw/zinc/69/92/55/558699255.db2.gz UEDKJHXPUBCBON-MNOVXSKESA-N 1 2 361.389 2.290 20 30 FEEDLO C[C@H](C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)n1cnc(C#N)n1 ZINC000409868572 558724067 /nfs/dbraw/zinc/72/40/67/558724067.db2.gz WZDNWTWLFCTFAF-CYBMUJFWSA-N 1 2 359.393 2.265 20 30 FEEDLO Cc1cc(NC(=O)[C@H](C)n2cnc(C#N)n2)c[nH+]c1N1CCCC[C@@H]1C ZINC000409912521 558727065 /nfs/dbraw/zinc/72/70/65/558727065.db2.gz QEHRTHGTEXLIDP-KBPBESRZSA-N 1 2 353.430 2.432 20 30 FEEDLO N#Cc1cccnc1N1CCN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000410185489 558744537 /nfs/dbraw/zinc/74/45/37/558744537.db2.gz PTISEPYXKMQTMU-UHFFFAOYSA-N 1 2 372.432 2.160 20 30 FEEDLO C=CCN1CC[C@@H]([NH+]2CCN(Cc3ccc(F)cc3Cl)CC2)C1=O ZINC000410312180 558750958 /nfs/dbraw/zinc/75/09/58/558750958.db2.gz OPWRZLWOOLNMHE-QGZVFWFLSA-N 1 2 351.853 2.384 20 30 FEEDLO N#Cc1cccnc1N1CC[NH+]([C@@H]2CCN(c3ccc(F)cc3)C2=O)CC1 ZINC000411133829 558842957 /nfs/dbraw/zinc/84/29/57/558842957.db2.gz IDJHTDFLFHXAKM-GOSISDBHSA-N 1 2 365.412 2.020 20 30 FEEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCN(c2cc(C)nn2C)C1=O ZINC000411193569 558851608 /nfs/dbraw/zinc/85/16/08/558851608.db2.gz OFZHWZNCXYLQJZ-QGZVFWFLSA-N 1 2 369.425 2.430 20 30 FEEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCN(c2cc(C)nn2C)C1=O ZINC000411193569 558851609 /nfs/dbraw/zinc/85/16/09/558851609.db2.gz OFZHWZNCXYLQJZ-QGZVFWFLSA-N 1 2 369.425 2.430 20 30 FEEDLO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCN(C)C(=O)[C@@H]3C)sc2C1 ZINC000411570452 558919659 /nfs/dbraw/zinc/91/96/59/558919659.db2.gz NRRXBBWMZSNHIZ-OLZOCXBDSA-N 1 2 374.510 2.236 20 30 FEEDLO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCN(C)C(=O)[C@@H]3C)sc2C1 ZINC000411570452 558919660 /nfs/dbraw/zinc/91/96/60/558919660.db2.gz NRRXBBWMZSNHIZ-OLZOCXBDSA-N 1 2 374.510 2.236 20 30 FEEDLO C[C@H](C(=O)OC(C)(C)C)[N@H+](C[C@@H](O)COc1ccc(C#N)cc1)C1CC1 ZINC000411911504 558986397 /nfs/dbraw/zinc/98/63/97/558986397.db2.gz HJLUWMDPQXMBPU-RHSMWYFYSA-N 1 2 360.454 2.493 20 30 FEEDLO C[C@H](C(=O)OC(C)(C)C)[N@@H+](C[C@@H](O)COc1ccc(C#N)cc1)C1CC1 ZINC000411911504 558986398 /nfs/dbraw/zinc/98/63/98/558986398.db2.gz HJLUWMDPQXMBPU-RHSMWYFYSA-N 1 2 360.454 2.493 20 30 FEEDLO CN(Cc1nnc(-c2ccc(C#N)cc2)o1)C(C)(C)C[NH+]1CCOCC1 ZINC000412093172 559012713 /nfs/dbraw/zinc/01/27/13/559012713.db2.gz NVVAPNZWQXQSRS-UHFFFAOYSA-N 1 2 355.442 2.151 20 30 FEEDLO C=CCc1cc(CNc2cc(NC[C@@H](C)O)[nH+]cn2)cc(OC)c1OC ZINC000413107943 559078727 /nfs/dbraw/zinc/07/87/27/559078727.db2.gz QOPMGMITPKFOCN-CYBMUJFWSA-N 1 2 358.442 2.627 20 30 FEEDLO C=CCc1cc(CNc2cc(NC[C@@H](C)O)nc[nH+]2)cc(OC)c1OC ZINC000413107943 559078728 /nfs/dbraw/zinc/07/87/28/559078728.db2.gz QOPMGMITPKFOCN-CYBMUJFWSA-N 1 2 358.442 2.627 20 30 FEEDLO C[N@H+](CC(=O)NC1(C#N)CCC1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000526135140 562267907 /nfs/dbraw/zinc/26/79/07/562267907.db2.gz PAQBPPKRWLTBQG-GOEBONIOSA-N 1 2 368.264 2.446 20 30 FEEDLO C[N@@H+](CC(=O)NC1(C#N)CCC1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000526135140 562267908 /nfs/dbraw/zinc/26/79/08/562267908.db2.gz PAQBPPKRWLTBQG-GOEBONIOSA-N 1 2 368.264 2.446 20 30 FEEDLO C[C@@H]1C[C@@H](CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)[C@H](C)O1 ZINC000413781964 559129903 /nfs/dbraw/zinc/12/99/03/559129903.db2.gz XPSXWQVNCGLAIL-GJYPPUQNSA-N 1 2 356.470 2.199 20 30 FEEDLO C=CCC[C@@H]1NC(=O)N([C@H](C[NH+]2CCOCC2)c2ccc(C)cc2)C1=O ZINC000419929642 559465078 /nfs/dbraw/zinc/46/50/78/559465078.db2.gz WARWCLAPNJDSJD-ZWKOTPCHSA-N 1 2 357.454 2.255 20 30 FEEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000422525288 559592923 /nfs/dbraw/zinc/59/29/23/559592923.db2.gz HRZSZEHBMGZCTN-SFHVURJKSA-N 1 2 354.454 2.035 20 30 FEEDLO C[C@H](C(=O)NC1(C#N)CCC1)N1CCc2c([nH+]cn2-c2ccc(F)cc2)C1 ZINC000527298617 562284302 /nfs/dbraw/zinc/28/43/02/562284302.db2.gz QXGAUSSIUACHQV-CQSZACIVSA-N 1 2 367.428 2.320 20 30 FEEDLO C=C(C)Cn1c([C@@H]2CCCS2)nnc1N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000424242173 559659038 /nfs/dbraw/zinc/65/90/38/559659038.db2.gz JIQCWESMAYYMPD-CVEARBPZSA-N 1 2 363.531 2.333 20 30 FEEDLO C=CCC1(C(=O)N2CCN(Cc3cn4ccccc4[nH+]3)CC2)CCOCC1 ZINC000424559685 559669387 /nfs/dbraw/zinc/66/93/87/559669387.db2.gz LOUWOJVSZGFCPU-UHFFFAOYSA-N 1 2 368.481 2.351 20 30 FEEDLO Cc1cc(NCc2ccc(CS(=O)(=O)NC(C)C)cc2)c(C#N)c[nH+]1 ZINC000425206824 559691215 /nfs/dbraw/zinc/69/12/15/559691215.db2.gz DEOMMKIEBGVXLW-UHFFFAOYSA-N 1 2 358.467 2.124 20 30 FEEDLO N#CCN1CCC[C@H](CNC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000425232533 559692647 /nfs/dbraw/zinc/69/26/47/559692647.db2.gz KJURFCOYDOYYGK-AEFFLSMTSA-N 1 2 351.454 2.283 20 30 FEEDLO COC(=O)c1cnc([C@H](C)[NH2+][C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)s1 ZINC000425481184 559704681 /nfs/dbraw/zinc/70/46/81/559704681.db2.gz FUKWJJGZCPIWRZ-XMZIXOGTSA-N 1 2 352.460 2.023 20 30 FEEDLO COC(=O)c1cnc([C@@H](C)[NH2+]CC(=O)Nc2sccc2C#N)s1 ZINC000425488246 559705254 /nfs/dbraw/zinc/70/52/54/559705254.db2.gz MMAJORAYVNOBKU-MRVPVSSYSA-N 1 2 350.425 2.152 20 30 FEEDLO Cn1c2ccc(NC(=O)C(=O)N[C@@H]3CC[C@H](C#N)C3)cc2[nH+]c1C1CC1 ZINC000425800522 559720205 /nfs/dbraw/zinc/72/02/05/559720205.db2.gz FIZVYJJBLDMMIS-WCQYABFASA-N 1 2 351.410 2.198 20 30 FEEDLO COc1cc(C[NH+]2CCN(C(=O)N[C@@H]3CC[C@H](C#N)C3)CC2)cc(OC)c1 ZINC000425840773 559722258 /nfs/dbraw/zinc/72/22/58/559722258.db2.gz HSOUJWKOIDMPTR-DOTOQJQBSA-N 1 2 372.469 2.223 20 30 FEEDLO N#CCNC(=O)C[NH2+][C@@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl ZINC000425962208 559726030 /nfs/dbraw/zinc/72/60/30/559726030.db2.gz WZNBHMGJZHYYKE-IBGZPJMESA-N 1 2 371.824 2.430 20 30 FEEDLO C[C@@H]1CN(c2cccc(F)c2)CC[N@@H+]1[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000429228714 559793334 /nfs/dbraw/zinc/79/33/34/559793334.db2.gz AULJXTZFVOTZIF-KUHUBIRLSA-N 1 2 352.413 2.434 20 30 FEEDLO C[C@@H]1CN(c2cccc(F)c2)CC[N@H+]1[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000429228714 559793335 /nfs/dbraw/zinc/79/33/35/559793335.db2.gz AULJXTZFVOTZIF-KUHUBIRLSA-N 1 2 352.413 2.434 20 30 FEEDLO COc1ccccc1-n1nccc1C[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000430761725 559827685 /nfs/dbraw/zinc/82/76/85/559827685.db2.gz WUASYWPWKVWGPF-UHFFFAOYSA-N 1 2 374.448 2.470 20 30 FEEDLO CC[C@@H](C#N)Sc1nnc([C@H](CC)[NH+](C)C)n1CCN1CCOCC1 ZINC000436058060 559934513 /nfs/dbraw/zinc/93/45/13/559934513.db2.gz JKTQVTPCOLXBAE-GJZGRUSLSA-N 1 2 366.535 2.017 20 30 FEEDLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(Cc2ccc(C#N)cc2Cl)CC1 ZINC000439435116 559993807 /nfs/dbraw/zinc/99/38/07/559993807.db2.gz DAUNZSYMLMYPMH-OAHLLOKOSA-N 1 2 360.889 2.340 20 30 FEEDLO CC(C)NS(=O)(=O)[C@H]1CC[N@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000441055655 560022381 /nfs/dbraw/zinc/02/23/81/560022381.db2.gz CSLOYNAZBCYPTM-AWEZNQCLSA-N 1 2 373.425 2.062 20 30 FEEDLO CC(C)NS(=O)(=O)[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000441055655 560022382 /nfs/dbraw/zinc/02/23/82/560022382.db2.gz CSLOYNAZBCYPTM-AWEZNQCLSA-N 1 2 373.425 2.062 20 30 FEEDLO CCOC(=O)[C@H]1C[N@H+](CC(=O)NC2(C#N)CCCCC2)Cc2ccccc21 ZINC000441119181 560024464 /nfs/dbraw/zinc/02/44/64/560024464.db2.gz CZUGINIXEOQHDE-SFHVURJKSA-N 1 2 369.465 2.492 20 30 FEEDLO CCOC(=O)[C@H]1C[N@@H+](CC(=O)NC2(C#N)CCCCC2)Cc2ccccc21 ZINC000441119181 560024465 /nfs/dbraw/zinc/02/44/65/560024465.db2.gz CZUGINIXEOQHDE-SFHVURJKSA-N 1 2 369.465 2.492 20 30 FEEDLO N#Cc1cc(F)ccc1S(=O)(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000443132644 560072064 /nfs/dbraw/zinc/07/20/64/560072064.db2.gz LFTBOXXRWJBJHX-UHFFFAOYSA-N 1 2 356.382 2.362 20 30 FEEDLO CC(C)c1ncc2c(n1)CC[N@@H+](C[C@H](O)COc1ccc(CC#N)cc1)C2 ZINC000527619527 562298100 /nfs/dbraw/zinc/29/81/00/562298100.db2.gz JMELWZYFMWJHLN-SFHVURJKSA-N 1 2 366.465 2.464 20 30 FEEDLO CC(C)c1ncc2c(n1)CC[N@H+](C[C@H](O)COc1ccc(CC#N)cc1)C2 ZINC000527619527 562298101 /nfs/dbraw/zinc/29/81/01/562298101.db2.gz JMELWZYFMWJHLN-SFHVURJKSA-N 1 2 366.465 2.464 20 30 FEEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+](C)Cc2cc(F)cc(F)c2)CC1 ZINC000444711840 560118560 /nfs/dbraw/zinc/11/85/60/560118560.db2.gz XYPFHDFNAJAITF-GOSISDBHSA-N 1 2 364.440 2.089 20 30 FEEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+](C)Cc2cc(F)cc(F)c2)CC1 ZINC000444711840 560118561 /nfs/dbraw/zinc/11/85/61/560118561.db2.gz XYPFHDFNAJAITF-GOSISDBHSA-N 1 2 364.440 2.089 20 30 FEEDLO CN(Cc1[nH+]ccn1C)C(=O)COc1ccc(C#N)c(Br)c1 ZINC000449162735 560218719 /nfs/dbraw/zinc/21/87/19/560218719.db2.gz SWLNBDJOXQPKSV-UHFFFAOYSA-N 1 2 363.215 2.092 20 30 FEEDLO Cn1cc(C[N@@H+]2CCCC[C@H]2CS(C)(=O)=O)c(-c2ccc(C#N)cc2)n1 ZINC000449529149 560232933 /nfs/dbraw/zinc/23/29/33/560232933.db2.gz VFJHCJBXTDBVFY-SFHVURJKSA-N 1 2 372.494 2.358 20 30 FEEDLO Cn1cc(C[N@H+]2CCCC[C@H]2CS(C)(=O)=O)c(-c2ccc(C#N)cc2)n1 ZINC000449529149 560232934 /nfs/dbraw/zinc/23/29/34/560232934.db2.gz VFJHCJBXTDBVFY-SFHVURJKSA-N 1 2 372.494 2.358 20 30 FEEDLO C=CCc1ccc(OCC(=O)NC[C@H]2CC[NH2+]CC2(F)F)c(OC)c1 ZINC000449647183 560235565 /nfs/dbraw/zinc/23/55/65/560235565.db2.gz CXYKFBKIQWDQPO-CQSZACIVSA-N 1 2 354.397 2.164 20 30 FEEDLO Cc1ccc([C@H](CNC(=O)c2ccc(C#N)n2C)[NH+]2CCOCC2)s1 ZINC000450045624 560249114 /nfs/dbraw/zinc/24/91/14/560249114.db2.gz QZFKWQVLFCHXGA-INIZCTEOSA-N 1 2 358.467 2.070 20 30 FEEDLO CC(C)N1CCO[C@H](C[NH+]2CCN(c3cccc(Cl)c3C#N)CC2)C1 ZINC000450316596 560258274 /nfs/dbraw/zinc/25/82/74/560258274.db2.gz ZGRDAOLYMSODLH-MRXNPFEDSA-N 1 2 362.905 2.443 20 30 FEEDLO CCOC(=O)C[N@@H+]1CCCN(c2nc3ccccc3c(C)c2C#N)CC1 ZINC000450352793 560259488 /nfs/dbraw/zinc/25/94/88/560259488.db2.gz ZROPSGDPJPOUNM-UHFFFAOYSA-N 1 2 352.438 2.490 20 30 FEEDLO CCOC(=O)C[N@H+]1CCCN(c2nc3ccccc3c(C)c2C#N)CC1 ZINC000450352793 560259489 /nfs/dbraw/zinc/25/94/89/560259489.db2.gz ZROPSGDPJPOUNM-UHFFFAOYSA-N 1 2 352.438 2.490 20 30 FEEDLO Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1CNc1cccc(C#N)c1[N+](=O)[O-] ZINC000450463730 560263088 /nfs/dbraw/zinc/26/30/88/560263088.db2.gz RNPUCKUGBNJROE-KBPBESRZSA-N 1 2 358.377 2.224 20 30 FEEDLO N#CC1(C[N@H+]2CCC[C@@H](NS(=O)(=O)c3cccc(F)c3)C2)CCC1 ZINC000450559843 560266232 /nfs/dbraw/zinc/26/62/32/560266232.db2.gz QEQMVKDGVSKRQS-OAHLLOKOSA-N 1 2 351.447 2.262 20 30 FEEDLO N#CC1(C[N@@H+]2CCC[C@@H](NS(=O)(=O)c3cccc(F)c3)C2)CCC1 ZINC000450559843 560266233 /nfs/dbraw/zinc/26/62/33/560266233.db2.gz QEQMVKDGVSKRQS-OAHLLOKOSA-N 1 2 351.447 2.262 20 30 FEEDLO Cc1cncc(-c2nc(C[N@@H+]3CC[C@H](Oc4ccc(C#N)cn4)C3)no2)c1 ZINC000451055096 560284957 /nfs/dbraw/zinc/28/49/57/560284957.db2.gz KEYDJHWKNLXBCO-INIZCTEOSA-N 1 2 362.393 2.360 20 30 FEEDLO Cc1cncc(-c2nc(C[N@H+]3CC[C@H](Oc4ccc(C#N)cn4)C3)no2)c1 ZINC000451055096 560284958 /nfs/dbraw/zinc/28/49/58/560284958.db2.gz KEYDJHWKNLXBCO-INIZCTEOSA-N 1 2 362.393 2.360 20 30 FEEDLO C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H](c2[nH]cc[nH+]2)C(C)C)c1 ZINC000451545986 560313745 /nfs/dbraw/zinc/31/37/45/560313745.db2.gz ILLOJHKFLUPWSL-HNNXBMFYSA-N 1 2 362.455 2.001 20 30 FEEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C(=O)Nc2ccc(CC#N)cc2Cl)C1 ZINC000453697302 560397568 /nfs/dbraw/zinc/39/75/68/560397568.db2.gz QDEYDBOEKBEASD-CYBMUJFWSA-N 1 2 371.828 2.094 20 30 FEEDLO Cn1cc[nH+]c1[C@H]1N(C(=O)C(=O)Nc2cccc(CC#N)c2)CC1(C)C ZINC000453840574 560407499 /nfs/dbraw/zinc/40/74/99/560407499.db2.gz XZBUSWFZTNWEMF-OAHLLOKOSA-N 1 2 351.410 2.034 20 30 FEEDLO C=CC(C)(C)CNC(=O)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000453879060 560410210 /nfs/dbraw/zinc/41/02/10/560410210.db2.gz JDLKCELAWCIPAK-HNNXBMFYSA-N 1 2 359.470 2.347 20 30 FEEDLO CCN1CC[NH+](CC(C)(C)NC(=O)CSc2ccc(C#N)cc2)CC1 ZINC000456877851 560535291 /nfs/dbraw/zinc/53/52/91/560535291.db2.gz CVBUGUKPSKYSGP-UHFFFAOYSA-N 1 2 360.527 2.183 20 30 FEEDLO CN(CC(C)(C)C#N)C(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000458359890 560616890 /nfs/dbraw/zinc/61/68/90/560616890.db2.gz FCOQJEFVJVICKZ-SFHVURJKSA-N 1 2 358.486 2.121 20 30 FEEDLO C[C@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1cc[nH]c(=O)c1 ZINC000458838653 560651451 /nfs/dbraw/zinc/65/14/51/560651451.db2.gz YIXZVKYDKFDPEW-HNNXBMFYSA-N 1 2 365.437 2.247 20 30 FEEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000459343094 560681222 /nfs/dbraw/zinc/68/12/22/560681222.db2.gz HKQPTKPSWYNOPT-CQSZACIVSA-N 1 2 352.398 2.384 20 30 FEEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000459343094 560681223 /nfs/dbraw/zinc/68/12/23/560681223.db2.gz HKQPTKPSWYNOPT-CQSZACIVSA-N 1 2 352.398 2.384 20 30 FEEDLO COC(=O)c1cccc2c1CC[N@@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C2 ZINC000459540867 560693209 /nfs/dbraw/zinc/69/32/09/560693209.db2.gz RZKLTAQDTZXGJZ-VLIAUNLRSA-N 1 2 357.454 2.274 20 30 FEEDLO COC(=O)c1cccc2c1CC[N@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C2 ZINC000459540867 560693210 /nfs/dbraw/zinc/69/32/10/560693210.db2.gz RZKLTAQDTZXGJZ-VLIAUNLRSA-N 1 2 357.454 2.274 20 30 FEEDLO CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@H](C)c2ccn(C)n2)cc1 ZINC000459791887 560708625 /nfs/dbraw/zinc/70/86/25/560708625.db2.gz UEHYKVFJKXDHFI-OAHLLOKOSA-N 1 2 355.442 2.416 20 30 FEEDLO CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@@H](C)c2ccn(C)n2)cc1 ZINC000459791885 560708763 /nfs/dbraw/zinc/70/87/63/560708763.db2.gz UEHYKVFJKXDHFI-HNNXBMFYSA-N 1 2 355.442 2.416 20 30 FEEDLO C=CCN(Cc1cccs1)C(=O)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000459870083 560715089 /nfs/dbraw/zinc/71/50/89/560715089.db2.gz QETDRJMAQIJTSA-AWEZNQCLSA-N 1 2 358.467 2.392 20 30 FEEDLO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)[C@H](C)c2cccc(C#N)c2)CC1 ZINC000462069493 560794849 /nfs/dbraw/zinc/79/48/49/560794849.db2.gz HTQRJJHBHSWFBU-OAHLLOKOSA-N 1 2 365.481 2.357 20 30 FEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1C[C@@H](C2CCCCC2)C[C@H]1C(=O)OC ZINC000464819021 560852482 /nfs/dbraw/zinc/85/24/82/560852482.db2.gz AHAMQOKGMDBAHQ-NJAFHUGGSA-N 1 2 363.502 2.438 20 30 FEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1C[C@@H](C2CCCCC2)C[C@H]1C(=O)OC ZINC000464819021 560852484 /nfs/dbraw/zinc/85/24/84/560852484.db2.gz AHAMQOKGMDBAHQ-NJAFHUGGSA-N 1 2 363.502 2.438 20 30 FEEDLO CCOC(=O)c1sc([C@@H](C)[NH2+][C@@H](C)C(=O)NC2(C#N)CCC2)nc1C ZINC000468773805 560938420 /nfs/dbraw/zinc/93/84/20/560938420.db2.gz AUZBCMUNIQXZFO-NWDGAFQWSA-N 1 2 364.471 2.230 20 30 FEEDLO Cc1nn(C)c(N2CCN(Cc3cn4cc(Cl)ccc4[nH+]3)CC2)c1C#N ZINC000471812572 561012304 /nfs/dbraw/zinc/01/23/04/561012304.db2.gz RWDJYZPSBCRVBY-UHFFFAOYSA-N 1 2 369.860 2.224 20 30 FEEDLO C=CCCC[C@H](C)NC(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1 ZINC000472114589 561018528 /nfs/dbraw/zinc/01/85/28/561018528.db2.gz GFNXESJKMWYQFK-XIRDDKMYSA-N 1 2 351.470 2.377 20 30 FEEDLO C=CCCC[C@H](C)NC(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1 ZINC000472114589 561018529 /nfs/dbraw/zinc/01/85/29/561018529.db2.gz GFNXESJKMWYQFK-XIRDDKMYSA-N 1 2 351.470 2.377 20 30 FEEDLO C=CCC[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc(CCC)cc2)CC1 ZINC000472765798 561034878 /nfs/dbraw/zinc/03/48/78/561034878.db2.gz GHCWLCQGIUZZSD-GOSISDBHSA-N 1 2 366.527 2.273 20 30 FEEDLO CCOC(=O)c1coc(C[N@@H+]2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)c1 ZINC000474396388 561073251 /nfs/dbraw/zinc/07/32/51/561073251.db2.gz XMQPHNABTUOVAO-JLTOFOAXSA-N 1 2 365.389 2.302 20 30 FEEDLO CCOC(=O)c1coc(C[N@H+]2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)c1 ZINC000474396388 561073252 /nfs/dbraw/zinc/07/32/52/561073252.db2.gz XMQPHNABTUOVAO-JLTOFOAXSA-N 1 2 365.389 2.302 20 30 FEEDLO C=C(C)COCCNC(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000474795904 561082993 /nfs/dbraw/zinc/08/29/93/561082993.db2.gz XRIICXAWBYLQSU-UHFFFAOYSA-N 1 2 367.247 2.489 20 30 FEEDLO CSc1[nH]c(=O)c(C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)cc1C#N ZINC000476505686 561121104 /nfs/dbraw/zinc/12/11/04/561121104.db2.gz DSPAGTTZTHAXPF-ZDUSSCGKSA-N 1 2 360.483 2.329 20 30 FEEDLO N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCO[C@@H](c2cccc(O)c2)C1 ZINC000528403300 562327198 /nfs/dbraw/zinc/32/71/98/562327198.db2.gz CPDSETXTXIDVGF-AZUAARDMSA-N 1 2 354.406 2.077 20 30 FEEDLO N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CCO[C@@H](c2cccc(O)c2)C1 ZINC000528403300 562327199 /nfs/dbraw/zinc/32/71/99/562327199.db2.gz CPDSETXTXIDVGF-AZUAARDMSA-N 1 2 354.406 2.077 20 30 FEEDLO N#Cc1cc(F)c(S(=O)(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)c(F)c1 ZINC000528546978 562335428 /nfs/dbraw/zinc/33/54/28/562335428.db2.gz GBVWIHLRHPGPEU-CYBMUJFWSA-N 1 2 355.410 2.132 20 30 FEEDLO N#Cc1cc(F)c(S(=O)(=O)NC[C@H]2CC[N@H+]2C2CCCC2)c(F)c1 ZINC000528546978 562335429 /nfs/dbraw/zinc/33/54/29/562335429.db2.gz GBVWIHLRHPGPEU-CYBMUJFWSA-N 1 2 355.410 2.132 20 30 FEEDLO COCc1ccc(NC(=O)N2CC[NH+](Cc3ccccn3)CC2)cc1C#N ZINC000529211684 562365041 /nfs/dbraw/zinc/36/50/41/562365041.db2.gz KDJGYOTYDXPXCD-UHFFFAOYSA-N 1 2 365.437 2.449 20 30 FEEDLO N#Cc1ccc(Cc2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)cn1 ZINC000530158487 562400664 /nfs/dbraw/zinc/40/06/64/562400664.db2.gz RUDYVBLNUHUFNB-UHFFFAOYSA-N 1 2 361.405 2.426 20 30 FEEDLO CCCCCC(=O)NC1CC[NH+]([C@@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000532943767 562493286 /nfs/dbraw/zinc/49/32/86/562493286.db2.gz LMCPMYJHFJTWJQ-LJQANCHMSA-N 1 2 356.470 2.246 20 30 FEEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](Cc2cnc(N3CCCC3)nc2)CC1 ZINC000533255836 562502938 /nfs/dbraw/zinc/50/29/38/562502938.db2.gz SDCZMGZBLJUKSW-FQEVSTJZSA-N 1 2 362.481 2.459 20 30 FEEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](N3CCNC3=O)C2)c(OC(F)F)c1 ZINC000533492999 562510738 /nfs/dbraw/zinc/51/07/38/562510738.db2.gz NEGAPHVBNWLCCK-CQSZACIVSA-N 1 2 350.369 2.149 20 30 FEEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](N3CCNC3=O)C2)c(OC(F)F)c1 ZINC000533492999 562510739 /nfs/dbraw/zinc/51/07/39/562510739.db2.gz NEGAPHVBNWLCCK-CQSZACIVSA-N 1 2 350.369 2.149 20 30 FEEDLO Cn1cc(C[NH+]2CCN(C(=O)N[C@@H](CCC#N)c3ccccc3)CC2)cn1 ZINC000533510631 562511206 /nfs/dbraw/zinc/51/12/06/562511206.db2.gz MMOAQMMRMNYESS-IBGZPJMESA-N 1 2 366.469 2.292 20 30 FEEDLO Cc1cc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)nn1C(F)F ZINC000536387097 562574540 /nfs/dbraw/zinc/57/45/40/562574540.db2.gz VWFQVWZWKWKFCA-UHFFFAOYSA-N 1 2 359.380 2.416 20 30 FEEDLO CSc1[nH]c(=O)c(C(=O)N[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)cc1C#N ZINC000540901625 562596173 /nfs/dbraw/zinc/59/61/73/562596173.db2.gz NSQVIEGTBTZYQG-JKSUJKDBSA-N 1 2 368.462 2.208 20 30 FEEDLO CSc1[nH]c(=O)c(C(=O)N[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)cc1C#N ZINC000540901625 562596174 /nfs/dbraw/zinc/59/61/74/562596174.db2.gz NSQVIEGTBTZYQG-JKSUJKDBSA-N 1 2 368.462 2.208 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000556195951 674391640 /nfs/dbraw/zinc/39/16/40/674391640.db2.gz XQJONKJWOQABSU-XDNAFOTISA-N 1 2 364.873 2.419 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000556195951 674391642 /nfs/dbraw/zinc/39/16/42/674391642.db2.gz XQJONKJWOQABSU-XDNAFOTISA-N 1 2 364.873 2.419 20 30 FEEDLO C[C@@H]1C[NH+](CC(=O)N(C)[C@@H]2CCCc3ccccc32)C[C@@H](C)N1CC#N ZINC000602857579 568002784 /nfs/dbraw/zinc/00/27/84/568002784.db2.gz SXRIYOPMGHLODS-MBOZVWFJSA-N 1 2 354.498 2.441 20 30 FEEDLO CN(CCC#N)C(=O)CC[NH+]1CCC(c2cc(-c3ccncc3)[nH]n2)CC1 ZINC000602878864 568003602 /nfs/dbraw/zinc/00/36/02/568003602.db2.gz UGSNVDYEAOJBRS-UHFFFAOYSA-N 1 2 366.469 2.413 20 30 FEEDLO Cn1ccnc1[C@H]([NH2+]CC(=O)N(CCC#N)c1ccccc1)C(C)(C)CO ZINC000602880065 568003964 /nfs/dbraw/zinc/00/39/64/568003964.db2.gz DDTARTMJWAVWHL-SFHVURJKSA-N 1 2 369.469 2.016 20 30 FEEDLO CC(C)c1ccc(OCCNC(=O)C[NH+]2C[C@H](C)N(CC#N)[C@@H](C)C2)cc1 ZINC000602865562 568008150 /nfs/dbraw/zinc/00/81/50/568008150.db2.gz TZGYIQKRFLMLOM-ROUUACIJSA-N 1 2 372.513 2.223 20 30 FEEDLO C[C@@H]1CCCN(C(=O)C2CCN(C(=O)C[N@H+](C)[C@H]3CCC[C@H]3C#N)CC2)C1 ZINC000602976237 568036034 /nfs/dbraw/zinc/03/60/34/568036034.db2.gz NBXNOCSONOLFRE-NEWSRXKRSA-N 1 2 374.529 2.108 20 30 FEEDLO C[C@@H]1CCCN(C(=O)C2CCN(C(=O)C[N@@H+](C)[C@H]3CCC[C@H]3C#N)CC2)C1 ZINC000602976237 568036036 /nfs/dbraw/zinc/03/60/36/568036036.db2.gz NBXNOCSONOLFRE-NEWSRXKRSA-N 1 2 374.529 2.108 20 30 FEEDLO N#C[C@H](c1ccc(F)cc1)N1CC[NH+]([C@@H]2CCN(C3CCC3)C2=O)CC1 ZINC000602802276 568036952 /nfs/dbraw/zinc/03/69/52/568036952.db2.gz PZUPBEXCQRNANB-RTBURBONSA-N 1 2 356.445 2.161 20 30 FEEDLO C=CC(C)(C)CCNC(=O)N1CCNC(=O)[C@H]1c1c(C)[nH+]c2ccccn21 ZINC000636760107 568045141 /nfs/dbraw/zinc/04/51/41/568045141.db2.gz KWKOCFDIRDYQPM-QGZVFWFLSA-N 1 2 369.469 2.428 20 30 FEEDLO CC(C)OCc1cccc(CNC(=O)C[NH+]2C[C@H](C)N(CC#N)[C@@H](C)C2)c1 ZINC000602861868 568049743 /nfs/dbraw/zinc/04/97/43/568049743.db2.gz MGGAVWQRXAVIJB-ROUUACIJSA-N 1 2 372.513 2.146 20 30 FEEDLO COc1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000568710441 568136989 /nfs/dbraw/zinc/13/69/89/568136989.db2.gz SPWSYGLAMRJEOE-HOCLYGCPSA-N 1 2 366.421 2.442 20 30 FEEDLO COc1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000568710441 568136990 /nfs/dbraw/zinc/13/69/90/568136990.db2.gz SPWSYGLAMRJEOE-HOCLYGCPSA-N 1 2 366.421 2.442 20 30 FEEDLO COc1ccc(NC(=O)[C@@H](C)[NH+]2CCN(c3cnccc3C#N)CC2)cc1 ZINC000569066241 568295649 /nfs/dbraw/zinc/29/56/49/568295649.db2.gz MLONMKJNOIZATQ-OAHLLOKOSA-N 1 2 365.437 2.111 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@@H]1C ZINC000808790359 674472600 /nfs/dbraw/zinc/47/26/00/674472600.db2.gz LRAHMBWAZLZOTL-SUNYJGFJSA-N 1 2 352.479 2.028 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@@H]1C ZINC000808790359 674472602 /nfs/dbraw/zinc/47/26/02/674472602.db2.gz LRAHMBWAZLZOTL-SUNYJGFJSA-N 1 2 352.479 2.028 20 30 FEEDLO C[C@@H]1CN(Cc2cccc(-c3nn[nH]n3)c2)CC[N@@H+]1Cc1cccc(C#N)c1 ZINC000822000286 606178392 /nfs/dbraw/zinc/17/83/92/606178392.db2.gz FKZDABPZUUGXCN-MRXNPFEDSA-N 1 2 373.464 2.445 20 30 FEEDLO C[C@@H]1CN(Cc2cccc(-c3nn[nH]n3)c2)CC[N@H+]1Cc1cccc(C#N)c1 ZINC000822000286 606178393 /nfs/dbraw/zinc/17/83/93/606178393.db2.gz FKZDABPZUUGXCN-MRXNPFEDSA-N 1 2 373.464 2.445 20 30 FEEDLO C=C(C)CN(CC)C(=O)C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000559417415 674541960 /nfs/dbraw/zinc/54/19/60/674541960.db2.gz ADKZHZXYWLCSHN-INIZCTEOSA-N 1 2 351.878 2.484 20 30 FEEDLO NS(=O)(=O)c1cc(C=NNc2cc[nH+]c3ccccc23)ccc1Cl ZINC000814841720 674883609 /nfs/dbraw/zinc/88/36/09/674883609.db2.gz UTSSPQCKBSSDOY-UHFFFAOYSA-N 1 2 360.826 2.404 20 30 FEEDLO CN(C)C(=O)OC1CC[NH+](CC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000815192646 674928722 /nfs/dbraw/zinc/92/87/22/674928722.db2.gz LMONPBYYHOVDGP-UHFFFAOYSA-N 1 2 364.833 2.313 20 30 FEEDLO CC[C@@H]1[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CCN1c1nc(C#N)c(Cl)s1 ZINC001048796649 675014896 /nfs/dbraw/zinc/01/48/96/675014896.db2.gz AMQBIPMBSNVBFN-GXSJLCMTSA-N 1 2 364.862 2.107 20 30 FEEDLO C#CC[C@H](CO)NC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000816674261 675072204 /nfs/dbraw/zinc/07/22/04/675072204.db2.gz VROYXNJXRGPJQB-HZPDHXFCSA-N 1 2 365.271 2.086 20 30 FEEDLO C[N@H+](CCCOc1cccc(S(C)(=O)=O)c1)Cc1ccc(C#N)cn1 ZINC000565167682 675099430 /nfs/dbraw/zinc/09/94/30/675099430.db2.gz XYUBGLYDWRRVAW-UHFFFAOYSA-N 1 2 359.451 2.258 20 30 FEEDLO C[N@@H+](CCCOc1cccc(S(C)(=O)=O)c1)Cc1ccc(C#N)cn1 ZINC000565167682 675099431 /nfs/dbraw/zinc/09/94/31/675099431.db2.gz XYUBGLYDWRRVAW-UHFFFAOYSA-N 1 2 359.451 2.258 20 30 FEEDLO C#CC[NH+]1CCN(Cn2nc(C3CC3)n(Cc3ccco3)c2=S)CC1 ZINC000079032253 670598836 /nfs/dbraw/zinc/59/88/36/670598836.db2.gz NGHQVDMGYLENAB-UHFFFAOYSA-N 1 2 357.483 2.141 20 30 FEEDLO C=C[C@](C)(O)CC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000569895510 670629740 /nfs/dbraw/zinc/62/97/40/670629740.db2.gz QJMPBNMNVZMHEZ-SZMVWBNQSA-N 1 2 352.862 2.155 20 30 FEEDLO C=C[C@](C)(O)CC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000569895510 670629744 /nfs/dbraw/zinc/62/97/44/670629744.db2.gz QJMPBNMNVZMHEZ-SZMVWBNQSA-N 1 2 352.862 2.155 20 30 FEEDLO C#CC[N@@H+](Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[nH]1)C1CCCC1 ZINC000155884210 672239708 /nfs/dbraw/zinc/23/97/08/672239708.db2.gz RSPOERHDZIKITO-UHFFFAOYSA-N 1 2 359.451 2.457 20 30 FEEDLO C#CC[N@H+](Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[nH]1)C1CCCC1 ZINC000155884210 672239713 /nfs/dbraw/zinc/23/97/13/672239713.db2.gz RSPOERHDZIKITO-UHFFFAOYSA-N 1 2 359.451 2.457 20 30 FEEDLO C=CCn1c(=O)c2ccc(C(=O)NCC([NH3+])(CC)CC)cc2[nH]c1=S ZINC000160488256 672291452 /nfs/dbraw/zinc/29/14/52/672291452.db2.gz JTFHLPFADTXHOM-UHFFFAOYSA-N 1 2 360.483 2.119 20 30 FEEDLO CO[C@@H](CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(F)(F)F ZINC000593388689 672916922 /nfs/dbraw/zinc/91/69/22/672916922.db2.gz JBSNFOBMKXJRQQ-HNNXBMFYSA-N 1 2 355.360 2.170 20 30 FEEDLO O=C(CCNC(=O)C1CCSCC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000329438241 673077676 /nfs/dbraw/zinc/07/76/76/673077676.db2.gz MJUFQYPUZCVOMB-UHFFFAOYSA-N 1 2 362.499 2.220 20 30 FEEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC[C@H](CN2CCCC2=O)C1 ZINC000595833922 673328980 /nfs/dbraw/zinc/32/89/80/673328980.db2.gz VYSYSUQWLNDRNW-ZDUSSCGKSA-N 1 2 360.845 2.094 20 30 FEEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CC[C@H](CN2CCCC2=O)C1 ZINC000595833922 673328983 /nfs/dbraw/zinc/32/89/83/673328983.db2.gz VYSYSUQWLNDRNW-ZDUSSCGKSA-N 1 2 360.845 2.094 20 30 FEEDLO C=CCCn1cc(C[N@H+]2CCC[C@H](c3ncc(C(=O)OC)s3)C2)nn1 ZINC000595913349 673338313 /nfs/dbraw/zinc/33/83/13/673338313.db2.gz SNKFVQJJPBQECU-ZDUSSCGKSA-N 1 2 361.471 2.477 20 30 FEEDLO C=CCCn1cc(C[N@@H+]2CCC[C@H](c3ncc(C(=O)OC)s3)C2)nn1 ZINC000595913349 673338316 /nfs/dbraw/zinc/33/83/16/673338316.db2.gz SNKFVQJJPBQECU-ZDUSSCGKSA-N 1 2 361.471 2.477 20 30 FEEDLO N#Cc1ccc(CC(=O)NCc2cc[nH+]c(N3CCSCC3)c2)cc1 ZINC000601850971 673898570 /nfs/dbraw/zinc/89/85/70/673898570.db2.gz JMWLEENFYJQOSE-UHFFFAOYSA-N 1 2 352.463 2.365 20 30 FEEDLO N#Cc1cc(N2CC[NH+](Cc3ccccn3)CC2)ncc1Br ZINC000603276079 673921001 /nfs/dbraw/zinc/92/10/01/673921001.db2.gz VMZUGQZHQMKWML-UHFFFAOYSA-N 1 2 358.243 2.433 20 30 FEEDLO Cc1nsc(N2CC[NH+](Cc3cnc4n[nH]c(C)c4c3)CC2)c1C#N ZINC000567552523 675301648 /nfs/dbraw/zinc/30/16/48/675301648.db2.gz ASPMNUAQBQAFOQ-UHFFFAOYSA-N 1 2 353.455 2.225 20 30 FEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1nc2ccc(Br)cc2o1 ZINC000822353824 675479532 /nfs/dbraw/zinc/47/95/32/675479532.db2.gz AZYRHTJARVEANJ-ZDUSSCGKSA-N 1 2 362.227 2.304 20 30 FEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1nc2ccc(Br)cc2o1 ZINC000822353824 675479534 /nfs/dbraw/zinc/47/95/34/675479534.db2.gz AZYRHTJARVEANJ-ZDUSSCGKSA-N 1 2 362.227 2.304 20 30 FEEDLO O=C(C#Cc1cccs1)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000824963836 675630960 /nfs/dbraw/zinc/63/09/60/675630960.db2.gz FUMIIVDJUNVOQL-UHFFFAOYSA-N 1 2 357.454 2.177 20 30 FEEDLO C#CC[N@H+](Cc1ccc(F)cc1)[C@@H](C)C(=O)NC(=O)NCC(F)(F)F ZINC000839469865 680754669 /nfs/dbraw/zinc/75/46/69/680754669.db2.gz JCUDUDMPRAAHLK-NSHDSACASA-N 1 2 359.323 2.038 20 30 FEEDLO C#CC[N@@H+](Cc1ccc(F)cc1)[C@@H](C)C(=O)NC(=O)NCC(F)(F)F ZINC000839469865 680754673 /nfs/dbraw/zinc/75/46/73/680754673.db2.gz JCUDUDMPRAAHLK-NSHDSACASA-N 1 2 359.323 2.038 20 30 FEEDLO COCC#CC[N@H+](CCNC(C)=O)Cc1ccc(Br)s1 ZINC000669705790 679249819 /nfs/dbraw/zinc/24/98/19/679249819.db2.gz IFGBZVZVGVDCRK-UHFFFAOYSA-N 1 2 359.289 2.099 20 30 FEEDLO COCC#CC[N@@H+](CCNC(C)=O)Cc1ccc(Br)s1 ZINC000669705790 679249820 /nfs/dbraw/zinc/24/98/20/679249820.db2.gz IFGBZVZVGVDCRK-UHFFFAOYSA-N 1 2 359.289 2.099 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nnc(C)s1 ZINC001021385448 680152887 /nfs/dbraw/zinc/15/28/87/680152887.db2.gz WWRQBHJQOOEODZ-BMRXWSCTSA-N 1 2 362.499 2.049 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nnc(C)s1 ZINC001021385448 680152892 /nfs/dbraw/zinc/15/28/92/680152892.db2.gz WWRQBHJQOOEODZ-BMRXWSCTSA-N 1 2 362.499 2.049 20 30 FEEDLO C[C@H](NC(=S)N[NH+]=Cc1ccc(N2CCOCC2)c(F)c1)C1CC1 ZINC000751531437 680185547 /nfs/dbraw/zinc/18/55/47/680185547.db2.gz KNXVXXMJKVCDGK-LBPRGKRZSA-N 1 2 350.463 2.259 20 30 FEEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)[C@@H]2C1 ZINC001022251518 680205736 /nfs/dbraw/zinc/20/57/36/680205736.db2.gz LQSUSYLVLLUDDP-LSDHHAIUSA-N 1 2 364.877 2.111 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[N@@H+](Cc2cc(OC)ns2)CC1 ZINC000981186139 680219136 /nfs/dbraw/zinc/21/91/36/680219136.db2.gz LSKAPFRDRJFHLV-CVEARBPZSA-N 1 2 365.499 2.167 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[N@H+](Cc2cc(OC)ns2)CC1 ZINC000981186139 680219139 /nfs/dbraw/zinc/21/91/39/680219139.db2.gz LSKAPFRDRJFHLV-CVEARBPZSA-N 1 2 365.499 2.167 20 30 FEEDLO COc1ccc(CNC(=S)NN=C2CCCc3[nH+]c(N)ccc32)cc1 ZINC000834924407 680282738 /nfs/dbraw/zinc/28/27/38/680282738.db2.gz PAOBGQHAOCDDHB-UHFFFAOYSA-N 1 2 355.467 2.377 20 30 FEEDLO CC(C)(C)OCCC[NH+]1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000756777195 680497268 /nfs/dbraw/zinc/49/72/68/680497268.db2.gz ARUZWUFFLQDYKO-UHFFFAOYSA-N 1 2 365.499 2.070 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@]1(C)CC[N@H+](Cc2cnc(Cl)s2)C1 ZINC001046631692 680651640 /nfs/dbraw/zinc/65/16/40/680651640.db2.gz JFEBTXLIHUFTMC-DVOMOZLQSA-N 1 2 355.891 2.468 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@]1(C)CC[N@@H+](Cc2cnc(Cl)s2)C1 ZINC001046631692 680651642 /nfs/dbraw/zinc/65/16/42/680651642.db2.gz JFEBTXLIHUFTMC-DVOMOZLQSA-N 1 2 355.891 2.468 20 30 FEEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001046957881 680654771 /nfs/dbraw/zinc/65/47/71/680654771.db2.gz KAIVZABMXPNMCW-DEPYFDJDSA-N 1 2 360.832 2.236 20 30 FEEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001046957881 680654773 /nfs/dbraw/zinc/65/47/73/680654773.db2.gz KAIVZABMXPNMCW-DEPYFDJDSA-N 1 2 360.832 2.236 20 30 FEEDLO Cn1nc(C2CC2)nc1CO[NH+]=C(N)c1ccc(Br)cc1 ZINC000842649341 680957078 /nfs/dbraw/zinc/95/70/78/680957078.db2.gz HJRUQPCPXXRRHK-UHFFFAOYSA-N 1 2 350.220 2.292 20 30 FEEDLO C=CCOc1ccc(CN2CC[NH+](CC[S@](C)=O)CC2)cc1Cl ZINC000769479346 680984302 /nfs/dbraw/zinc/98/43/02/680984302.db2.gz HSJMAQQQBSSBRV-QHCPKHFHSA-N 1 2 356.919 2.401 20 30 FEEDLO C=CCOc1ccc(CN2CC[NH+](CC[S@@](C)=O)CC2)cc1Cl ZINC000769479344 680984326 /nfs/dbraw/zinc/98/43/26/680984326.db2.gz HSJMAQQQBSSBRV-HSZRJFAPSA-N 1 2 356.919 2.401 20 30 FEEDLO Cc1nsc(NCC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2C)c1C#N ZINC001053530107 681099547 /nfs/dbraw/zinc/09/95/47/681099547.db2.gz LDGIDZAGXFOOBR-DGCLKSJQSA-N 1 2 358.471 2.186 20 30 FEEDLO N#Cc1ccc(NC(=O)C[NH+]2CCC3(CCNC(=O)O3)CC2)cc1Cl ZINC000932764174 681304387 /nfs/dbraw/zinc/30/43/87/681304387.db2.gz YVWFSXCWUAIRJP-UHFFFAOYSA-N 1 2 362.817 2.115 20 30 FEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(CC)C1C[NH+](CCOC2CCC2)C1 ZINC000952429249 681784343 /nfs/dbraw/zinc/78/43/43/681784343.db2.gz JOZXBZCQPSUHMO-OALUTQOASA-N 1 2 350.503 2.460 20 30 FEEDLO C#CCC[NH+]1CCN(C(=O)c2cn(C(C)(C)C)nc2Br)CC1 ZINC000780405495 681824048 /nfs/dbraw/zinc/82/40/48/681824048.db2.gz IKDOFTUKUOGZDM-UHFFFAOYSA-N 1 2 367.291 2.182 20 30 FEEDLO Fc1ccc(-n2cc(C=NNC3=[NH+][C@@H]4CCCC[C@H]4N3)nn2)cc1Cl ZINC000782907212 682092971 /nfs/dbraw/zinc/09/29/71/682092971.db2.gz FSWCATLTXTUJQP-HUUCEWRRSA-N 1 2 361.812 2.254 20 30 FEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCCO[C@H]2c2cnn(C)c2)C1 ZINC000969865738 682279307 /nfs/dbraw/zinc/27/93/07/682279307.db2.gz QHXMOVIPLCZYQD-XKQJLSEDSA-N 1 2 366.893 2.077 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)C1C[NH+](Cc2cccc(F)c2F)C1 ZINC000970448311 682299041 /nfs/dbraw/zinc/29/90/41/682299041.db2.gz XZYCOBJVHWFISY-VMGRFDJRSA-N 1 2 350.409 2.492 20 30 FEEDLO C#C[C@H](NC(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1)[C@@H]1CCCO1 ZINC000785894210 682335390 /nfs/dbraw/zinc/33/53/90/682335390.db2.gz OLTWYGSAFWVJCJ-ROUUACIJSA-N 1 2 361.873 2.178 20 30 FEEDLO C#C[C@H](NC(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1)[C@@H]1CCCO1 ZINC000785894210 682335392 /nfs/dbraw/zinc/33/53/92/682335392.db2.gz OLTWYGSAFWVJCJ-ROUUACIJSA-N 1 2 361.873 2.178 20 30 FEEDLO C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CN(c3ccccn3)C[C@H]2C)C1 ZINC000971551771 682358529 /nfs/dbraw/zinc/35/85/29/682358529.db2.gz LPWBLUBIAIEQQO-HYVNUMGLSA-N 1 2 362.905 2.439 20 30 FEEDLO C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CN(c3ccccn3)C[C@H]2C)C1 ZINC000971551771 682358533 /nfs/dbraw/zinc/35/85/33/682358533.db2.gz LPWBLUBIAIEQQO-HYVNUMGLSA-N 1 2 362.905 2.439 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2cnc(Cl)s2)C1 ZINC000972374301 682411080 /nfs/dbraw/zinc/41/10/80/682411080.db2.gz QUDBJJVXEIPMFY-BNOWGMLFSA-N 1 2 355.891 2.420 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2cnc(Cl)s2)C1 ZINC000972374301 682411084 /nfs/dbraw/zinc/41/10/84/682411084.db2.gz QUDBJJVXEIPMFY-BNOWGMLFSA-N 1 2 355.891 2.420 20 30 FEEDLO C#CCCCOc1ccc[nH+]c1NC[C@H]1CCC[C@H]1NS(C)(=O)=O ZINC000853442958 682414063 /nfs/dbraw/zinc/41/40/63/682414063.db2.gz PRDOERMCTSYYGG-HUUCEWRRSA-N 1 2 351.472 2.004 20 30 FEEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3ccc(Cl)s3)C2)C1 ZINC000972521191 682419141 /nfs/dbraw/zinc/41/91/41/682419141.db2.gz YGQDARQABCOORN-LBTNJELSSA-N 1 2 364.898 2.442 20 30 FEEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3ccc(Cl)s3)C2)C1 ZINC000972521191 682419143 /nfs/dbraw/zinc/41/91/43/682419143.db2.gz YGQDARQABCOORN-LBTNJELSSA-N 1 2 364.898 2.442 20 30 FEEDLO C#CCCCOc1ccc[nH+]c1NCC1CCN(S(=O)(=O)CC)CC1 ZINC000853478537 682420609 /nfs/dbraw/zinc/42/06/09/682420609.db2.gz JLJLDKDVKGIEST-UHFFFAOYSA-N 1 2 365.499 2.347 20 30 FEEDLO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(CCOC(F)(F)F)CC1=O ZINC000788677595 682549772 /nfs/dbraw/zinc/54/97/72/682549772.db2.gz IWRRIITYIUYOCV-UHFFFAOYSA-N 1 2 354.332 2.183 20 30 FEEDLO C#CCn1cc(CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)cn1 ZINC000861366508 683399826 /nfs/dbraw/zinc/39/98/26/683399826.db2.gz NLGYXPUTIHGPQC-SFHVURJKSA-N 1 2 356.857 2.451 20 30 FEEDLO C#CCn1cc(CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)cn1 ZINC000861366508 683399835 /nfs/dbraw/zinc/39/98/35/683399835.db2.gz NLGYXPUTIHGPQC-SFHVURJKSA-N 1 2 356.857 2.451 20 30 FEEDLO N#CCCc1ccc(S(=O)(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)cc1 ZINC000921321036 683422052 /nfs/dbraw/zinc/42/20/52/683422052.db2.gz YETWXCVIXKBUHI-IAGOWNOFSA-N 1 2 365.524 2.001 20 30 FEEDLO N#CCCc1ccc(S(=O)(=O)N[C@@H]2CCC[N@H+]3CCSC[C@H]23)cc1 ZINC000921321036 683422054 /nfs/dbraw/zinc/42/20/54/683422054.db2.gz YETWXCVIXKBUHI-IAGOWNOFSA-N 1 2 365.524 2.001 20 30 FEEDLO C#CC[C@H](CO)NC(=O)N[C@@H]1CC[N@@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000921796545 683577319 /nfs/dbraw/zinc/57/73/19/683577319.db2.gz JUAOKLVQTBOCHV-KBRIMQKVSA-N 1 2 367.852 2.298 20 30 FEEDLO C#CC[C@H](CO)NC(=O)N[C@@H]1CC[N@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000921796545 683577324 /nfs/dbraw/zinc/57/73/24/683577324.db2.gz JUAOKLVQTBOCHV-KBRIMQKVSA-N 1 2 367.852 2.298 20 30 FEEDLO C#CC1(O)CC[NH+](Cc2nnc(-c3ccc(Br)o3)o2)CC1 ZINC000931143213 683841090 /nfs/dbraw/zinc/84/10/90/683841090.db2.gz PQBXCJYDIPXCEU-UHFFFAOYSA-N 1 2 352.188 2.052 20 30 FEEDLO N#C[C@H](NC(=O)/C=C\C[NH+]1CCOCC1)c1ccccc1Br ZINC000865832425 684034665 /nfs/dbraw/zinc/03/46/65/684034665.db2.gz QCHJOEOLWJILRL-BYPUDFOVSA-N 1 2 364.243 2.018 20 30 FEEDLO COC1(OC)CCOC[C@H]1[NH2+]Cc1ccc(C#N)cc1Br ZINC000931672453 684326302 /nfs/dbraw/zinc/32/63/02/684326302.db2.gz BHPHGOWLHSMNSI-CQSZACIVSA-N 1 2 355.232 2.188 20 30 FEEDLO CCOC(=O)[C@H]1C[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])CCC1(F)F ZINC000879367118 686805672 /nfs/dbraw/zinc/80/56/72/686805672.db2.gz DDLLODWMGPGJDX-CYBMUJFWSA-N 1 2 353.325 2.487 20 30 FEEDLO CCOC(=O)[C@H]1C[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])CCC1(F)F ZINC000879367118 686805677 /nfs/dbraw/zinc/80/56/77/686805677.db2.gz DDLLODWMGPGJDX-CYBMUJFWSA-N 1 2 353.325 2.487 20 30 FEEDLO C#CCC1(O)CC[NH+](CC(=O)Nc2nc3c(cccc3OC)s2)CC1 ZINC000880480771 687052784 /nfs/dbraw/zinc/05/27/84/687052784.db2.gz GAGRELVOCGKQEB-UHFFFAOYSA-N 1 2 359.451 2.094 20 30 FEEDLO N#CCSc1ccccc1NC(=O)C[NH+]1CCC2(CC1)COCCO2 ZINC000880545137 687059637 /nfs/dbraw/zinc/05/96/37/687059637.db2.gz SBJRRVJROXWOAQ-UHFFFAOYSA-N 1 2 361.467 2.122 20 30 FEEDLO N#CC1(C[C@@H](O)C[N@@H+]2CCN(Cc3cccc(Cl)c3)C(=O)C2)CCC1 ZINC000886039662 688196372 /nfs/dbraw/zinc/19/63/72/688196372.db2.gz OCQOAJBGTRVUTN-QGZVFWFLSA-N 1 2 361.873 2.429 20 30 FEEDLO N#CC1(C[C@@H](O)C[N@H+]2CCN(Cc3cccc(Cl)c3)C(=O)C2)CCC1 ZINC000886039662 688196376 /nfs/dbraw/zinc/19/63/76/688196376.db2.gz OCQOAJBGTRVUTN-QGZVFWFLSA-N 1 2 361.873 2.429 20 30 FEEDLO C#CC[C@@H]([NH2+]C1CC2(C1)CCN(C(=O)OC(C)(C)C)CC2)C(=O)OC ZINC000894857495 689609832 /nfs/dbraw/zinc/60/98/32/689609832.db2.gz AXUKZQGZJFUSRZ-OAHLLOKOSA-N 1 2 350.459 2.321 20 30 FEEDLO NC(=O)[C@@H]([NH2+]CC#C[C@@H]1CCCCO1)c1cccc(Br)c1 ZINC000901704378 690682041 /nfs/dbraw/zinc/68/20/41/690682041.db2.gz SMZVGMQAPAXNQJ-GJZGRUSLSA-N 1 2 351.244 2.138 20 30 FEEDLO N#Cc1cc(Cl)ncc1C(F)(F)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001165039694 721914538 /nfs/dbraw/zinc/91/45/38/721914538.db2.gz VISYOXOHMWQORD-ZDUSSCGKSA-N 1 2 356.804 2.453 20 30 FEEDLO Cc1ncc(CO)c(/C=N/C[C@H](c2cccs2)[NH+]2CCOCC2)c1O ZINC000005110763 539402320 /nfs/dbraw/zinc/40/23/20/539402320.db2.gz VILVWGUONIDYTG-MWJIIQFGSA-N 1 2 361.467 2.142 20 30 FEEDLO COc1ccccc1OCC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000017843336 539644166 /nfs/dbraw/zinc/64/41/66/539644166.db2.gz PSEXIVVIRJMVNF-UHFFFAOYSA-N 1 2 365.433 2.290 20 30 FEEDLO C[N@@H+](CC(=O)Nc1cccc(F)c1)C[C@H](O)COc1ccc(C#N)cc1 ZINC000017741154 539642999 /nfs/dbraw/zinc/64/29/99/539642999.db2.gz YCFQTKRJXHTIFM-KRWDZBQOSA-N 1 2 357.385 2.008 20 30 FEEDLO C[N@H+](CC(=O)Nc1cccc(F)c1)C[C@H](O)COc1ccc(C#N)cc1 ZINC000017741154 539643002 /nfs/dbraw/zinc/64/30/02/539643002.db2.gz YCFQTKRJXHTIFM-KRWDZBQOSA-N 1 2 357.385 2.008 20 30 FEEDLO C[C@@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN(Cc3ccc(C#N)cc3F)CC2)C1 ZINC000022848412 539700691 /nfs/dbraw/zinc/70/06/91/539700691.db2.gz UGSFHOXUKHATOE-CALCHBBNSA-N 1 2 372.488 2.319 20 30 FEEDLO N#Cc1ccsc1NC(=O)C[N@@H+](Cc1ccc(C(N)=O)cc1)C1CC1 ZINC000027908722 539819922 /nfs/dbraw/zinc/81/99/22/539819922.db2.gz MEJZOTFMICXTGU-UHFFFAOYSA-N 1 2 354.435 2.322 20 30 FEEDLO N#Cc1ccsc1NC(=O)C[N@H+](Cc1ccc(C(N)=O)cc1)C1CC1 ZINC000027908722 539819923 /nfs/dbraw/zinc/81/99/23/539819923.db2.gz MEJZOTFMICXTGU-UHFFFAOYSA-N 1 2 354.435 2.322 20 30 FEEDLO Cc1cccc([C@@H](CNC(=O)c2ccc(C#N)c(C)n2)[NH+]2CCOCC2)c1 ZINC000029421239 539852998 /nfs/dbraw/zinc/85/29/98/539852998.db2.gz YRLGXXZFUDVOAQ-HXUWFJFHSA-N 1 2 364.449 2.373 20 30 FEEDLO C[C@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000029447169 539853430 /nfs/dbraw/zinc/85/34/30/539853430.db2.gz VNPCFEGWVUPIKP-MTNOOBJLSA-N 1 2 369.513 2.405 20 30 FEEDLO C=CCNC(=O)NC(=O)CN1CC[NH+]([C@H](C)c2ccccc2Cl)CC1 ZINC000029685833 539860314 /nfs/dbraw/zinc/86/03/14/539860314.db2.gz UERLEJYHTGMUIR-CQSZACIVSA-N 1 2 364.877 2.030 20 30 FEEDLO CSc1[nH]c(=O)c(C(=O)NCC[N@@H+]2CCc3ccccc3C2)cc1C#N ZINC000031909726 539922308 /nfs/dbraw/zinc/92/23/08/539922308.db2.gz REIVNAIYPTVKIW-UHFFFAOYSA-N 1 2 368.462 2.169 20 30 FEEDLO CSc1[nH]c(=O)c(C(=O)NCC[N@H+]2CCc3ccccc3C2)cc1C#N ZINC000031909726 539922312 /nfs/dbraw/zinc/92/23/12/539922312.db2.gz REIVNAIYPTVKIW-UHFFFAOYSA-N 1 2 368.462 2.169 20 30 FEEDLO Cc1cc(N2CCN(C(=O)c3ccc(C#N)c(C)n3)CC2)nc(C(C)C)[nH+]1 ZINC000032272173 539933146 /nfs/dbraw/zinc/93/31/46/539933146.db2.gz HZFWBUTXOYVVHX-UHFFFAOYSA-N 1 2 364.453 2.446 20 30 FEEDLO N#Cc1ccsc1NC(=O)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000550302914 674089237 /nfs/dbraw/zinc/08/92/37/674089237.db2.gz UQDJJNYFLNRFLS-UHFFFAOYSA-N 1 2 351.391 2.060 20 30 FEEDLO COC(=O)[C@H]1Cc2ccccc2C[N@@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000041887059 540038507 /nfs/dbraw/zinc/03/85/07/540038507.db2.gz ZKUNBSVSUIDHOM-LJQANCHMSA-N 1 2 363.417 2.487 20 30 FEEDLO COC(=O)[C@H]1Cc2ccccc2C[N@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000041887059 540038513 /nfs/dbraw/zinc/03/85/13/540038513.db2.gz ZKUNBSVSUIDHOM-LJQANCHMSA-N 1 2 363.417 2.487 20 30 FEEDLO CC(C)(C#N)CCS(=O)(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000550435288 674095927 /nfs/dbraw/zinc/09/59/27/674095927.db2.gz LUHKPTOSULVODR-UHFFFAOYSA-N 1 2 350.488 2.431 20 30 FEEDLO N#Cc1ccc(N2CCC[N@H+](Cc3nnnn3-c3ccccc3)CC2)cc1 ZINC000046085766 540241491 /nfs/dbraw/zinc/24/14/91/540241491.db2.gz FSTDBXAEBXHCEQ-UHFFFAOYSA-N 1 2 359.437 2.246 20 30 FEEDLO N#Cc1ccc(N2CCC[N@@H+](Cc3nnnn3-c3ccccc3)CC2)cc1 ZINC000046085766 540241494 /nfs/dbraw/zinc/24/14/94/540241494.db2.gz FSTDBXAEBXHCEQ-UHFFFAOYSA-N 1 2 359.437 2.246 20 30 FEEDLO N#Cc1ccccc1N1CCC[N@H+](Cc2nnnn2Cc2ccccc2)CC1 ZINC000046086734 540241722 /nfs/dbraw/zinc/24/17/22/540241722.db2.gz HHBMAVPCFAMOTH-UHFFFAOYSA-N 1 2 373.464 2.305 20 30 FEEDLO N#Cc1ccccc1N1CCC[N@@H+](Cc2nnnn2Cc2ccccc2)CC1 ZINC000046086734 540241724 /nfs/dbraw/zinc/24/17/24/540241724.db2.gz HHBMAVPCFAMOTH-UHFFFAOYSA-N 1 2 373.464 2.305 20 30 FEEDLO N#Cc1cc(S(=O)(=O)NCCc2cn3ccccc3[nH+]2)ccc1Cl ZINC000047282361 540301558 /nfs/dbraw/zinc/30/15/58/540301558.db2.gz IIHHCUOMJGAFMZ-UHFFFAOYSA-N 1 2 360.826 2.380 20 30 FEEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)c2cccc([C@H]3CCOC3)c2)c1C#N ZINC000534198292 540334251 /nfs/dbraw/zinc/33/42/51/540334251.db2.gz SQUFJQJGVAOVFF-HNNXBMFYSA-N 1 2 353.426 2.190 20 30 FEEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000048426031 540361667 /nfs/dbraw/zinc/36/16/67/540361667.db2.gz ZLUURVMZRNAXNY-AWEZNQCLSA-N 1 2 369.387 2.077 20 30 FEEDLO N#Cc1ccc(CNC(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)cc1 ZINC000048982646 540378397 /nfs/dbraw/zinc/37/83/97/540378397.db2.gz GNJHKDMBBXSYTN-HXUWFJFHSA-N 1 2 364.449 2.431 20 30 FEEDLO COc1cccc(C(=O)N2CC[NH+](CCOc3cccc(C#N)c3)CC2)c1 ZINC000051207748 540426727 /nfs/dbraw/zinc/42/67/27/540426727.db2.gz ZCTQKHGVTHTLOU-UHFFFAOYSA-N 1 2 365.433 2.404 20 30 FEEDLO COc1cc(C#N)ccc1OCC(=O)NCCn1c(C)[nH+]c2ccccc21 ZINC000053371641 540530206 /nfs/dbraw/zinc/53/02/06/540530206.db2.gz PZJTVFOFIXLASO-UHFFFAOYSA-N 1 2 364.405 2.420 20 30 FEEDLO Cc1ccccc1OC[C@@H](O)CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000053420071 540533761 /nfs/dbraw/zinc/53/37/61/540533761.db2.gz OVANABAQJHKKEK-NRFANRHFSA-N 1 2 365.477 2.424 20 30 FEEDLO CCc1nc(CC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cs1 ZINC000055091385 540627326 /nfs/dbraw/zinc/62/73/26/540627326.db2.gz QUVDUPPRGWAIMU-UHFFFAOYSA-N 1 2 354.479 2.464 20 30 FEEDLO C=CCNC(=O)NC(=O)C[N@@H+](C)Cc1c(C)nn(-c2ccccc2C)c1C ZINC000055055363 540624205 /nfs/dbraw/zinc/62/42/05/540624205.db2.gz CYRLJAXNILOUNT-UHFFFAOYSA-N 1 2 369.469 2.241 20 30 FEEDLO C=CCNC(=O)NC(=O)C[N@H+](C)Cc1c(C)nn(-c2ccccc2C)c1C ZINC000055055363 540624208 /nfs/dbraw/zinc/62/42/08/540624208.db2.gz CYRLJAXNILOUNT-UHFFFAOYSA-N 1 2 369.469 2.241 20 30 FEEDLO Cc1csc(CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000055065970 540625763 /nfs/dbraw/zinc/62/57/63/540625763.db2.gz MNZKWHAHPURPMW-UHFFFAOYSA-N 1 2 355.467 2.351 20 30 FEEDLO Cc1ccc(C#N)cc1NC(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000058453158 540843705 /nfs/dbraw/zinc/84/37/05/540843705.db2.gz KJVDNZKELJKIOS-UHFFFAOYSA-N 1 2 351.410 2.420 20 30 FEEDLO N#CCCCOc1cccc(C[NH+]2CCN(c3nc(N)ns3)CC2)c1 ZINC000538812868 540893974 /nfs/dbraw/zinc/89/39/74/540893974.db2.gz MIOIRLARPSUVGY-UHFFFAOYSA-N 1 2 358.471 2.125 20 30 FEEDLO Cc1noc(C)c1C[NH+]1CCN(CCC(=O)Nc2sccc2C#N)CC1 ZINC000065682071 541253181 /nfs/dbraw/zinc/25/31/81/541253181.db2.gz POYAFJMFACALPU-UHFFFAOYSA-N 1 2 373.482 2.371 20 30 FEEDLO N#CCC[C@H](C#N)CN1CC[NH+](CC(=O)N2CCCc3ccccc32)CC1 ZINC000066905062 541390507 /nfs/dbraw/zinc/39/05/07/541390507.db2.gz UEKZOSMMKOKSOY-GOSISDBHSA-N 1 2 365.481 2.027 20 30 FEEDLO N#CCc1ccc(NC(=O)C(=O)NCc2ccccc2-n2cc[nH+]c2)cc1 ZINC000067426130 541462559 /nfs/dbraw/zinc/46/25/59/541462559.db2.gz SUPNDQDEJWSKFZ-UHFFFAOYSA-N 1 2 359.389 2.193 20 30 FEEDLO Cc1noc(C)c1CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000067759570 541509319 /nfs/dbraw/zinc/50/93/19/541509319.db2.gz JSWYKCPDWIYGPY-UHFFFAOYSA-N 1 2 353.426 2.191 20 30 FEEDLO N#C[C@H](c1ccccc1)N1CCN(C(=O)Cc2cn3ccccc3[nH+]2)CC1 ZINC000068743040 541624321 /nfs/dbraw/zinc/62/43/21/541624321.db2.gz XZHSTZGHMYQWGB-LJQANCHMSA-N 1 2 359.433 2.286 20 30 FEEDLO CCOc1ccccc1CCC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000070920649 541751618 /nfs/dbraw/zinc/75/16/18/541751618.db2.gz BYLYGOBCHGMVQO-UHFFFAOYSA-N 1 2 359.470 2.092 20 30 FEEDLO CCO[C@H](C)c1noc(C[N@H+](C)CCC(=O)Nc2cccc(C#N)c2)n1 ZINC000072762499 541861712 /nfs/dbraw/zinc/86/17/12/541861712.db2.gz OZGASVONWQWGMF-CYBMUJFWSA-N 1 2 357.414 2.499 20 30 FEEDLO CCO[C@H](C)c1noc(C[N@@H+](C)CCC(=O)Nc2cccc(C#N)c2)n1 ZINC000072762499 541861716 /nfs/dbraw/zinc/86/17/16/541861716.db2.gz OZGASVONWQWGMF-CYBMUJFWSA-N 1 2 357.414 2.499 20 30 FEEDLO C[C@H]1C[NH+]=C(N2CCN(C(=O)/C=C/c3ccc(OCC#N)cc3)CC2)S1 ZINC000073117470 541920797 /nfs/dbraw/zinc/92/07/97/541920797.db2.gz JEVGLPCSPLYVRB-SZTZYQKNSA-N 1 2 370.478 2.238 20 30 FEEDLO CCO[C@@H](C)c1noc(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000076716371 542316144 /nfs/dbraw/zinc/31/61/44/542316144.db2.gz VCFFKMDODONZLW-HNNXBMFYSA-N 1 2 355.442 2.357 20 30 FEEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN(C(=O)c2ccc(C)cc2)CC1 ZINC000076968162 542336666 /nfs/dbraw/zinc/33/66/66/542336666.db2.gz CHWUTDBDNTUMBH-SFHVURJKSA-N 1 2 355.482 2.342 20 30 FEEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000077468628 542385277 /nfs/dbraw/zinc/38/52/77/542385277.db2.gz QKVHZNDMVKZGCJ-HUUCEWRRSA-N 1 2 361.515 2.448 20 30 FEEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000077468628 542385280 /nfs/dbraw/zinc/38/52/80/542385280.db2.gz QKVHZNDMVKZGCJ-HUUCEWRRSA-N 1 2 361.515 2.448 20 30 FEEDLO Cc1ccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@H]2C(=O)N(C)C)cc1C ZINC000078280760 542451338 /nfs/dbraw/zinc/45/13/38/542451338.db2.gz WPNKWYLKSVUUCW-SFHVURJKSA-N 1 2 356.470 2.103 20 30 FEEDLO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H]2C(=O)N(C)C)cc1C ZINC000078280760 542451342 /nfs/dbraw/zinc/45/13/42/542451342.db2.gz WPNKWYLKSVUUCW-SFHVURJKSA-N 1 2 356.470 2.103 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Nc1cc(F)c(F)c(F)c1 ZINC000078616762 542471716 /nfs/dbraw/zinc/47/17/16/542471716.db2.gz OVMISITWLLBPEZ-UHFFFAOYSA-N 1 2 356.348 2.184 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000080164683 542571042 /nfs/dbraw/zinc/57/10/42/542571042.db2.gz RZPMTNMOJPKOMW-UHFFFAOYSA-N 1 2 368.384 2.368 20 30 FEEDLO COc1ccc(-c2nc(CN(CCC#N)CC[NH+]3CCOCC3)co2)cc1 ZINC000081158531 542636730 /nfs/dbraw/zinc/63/67/30/542636730.db2.gz WLPUFYZHCGEPGE-UHFFFAOYSA-N 1 2 370.453 2.398 20 30 FEEDLO CC(C)CO[C@@H](C)C(N)=[NH+]OCC(=O)Nc1ccnn1C1CCCC1 ZINC000085265023 542724716 /nfs/dbraw/zinc/72/47/16/542724716.db2.gz LIRDQHXZUWSYER-ZDUSSCGKSA-N 1 2 351.451 2.287 20 30 FEEDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)Cc2cccc(OCC#N)c2)CC1 ZINC000089828389 542771884 /nfs/dbraw/zinc/77/18/84/542771884.db2.gz WQDVIHDXJIFXIS-QGZVFWFLSA-N 1 2 364.449 2.432 20 30 FEEDLO C=CCOc1ccccc1CN1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC000093843378 542943488 /nfs/dbraw/zinc/94/34/88/542943488.db2.gz UCTCXEFJDMGXDH-GOSISDBHSA-N 1 2 357.498 2.380 20 30 FEEDLO C=CCOc1ccccc1C[NH+]1CCN([C@H](C)C(=O)N2CCCC2)CC1 ZINC000093843378 542943490 /nfs/dbraw/zinc/94/34/90/542943490.db2.gz UCTCXEFJDMGXDH-GOSISDBHSA-N 1 2 357.498 2.380 20 30 FEEDLO N#Cc1ccccc1N1CC[NH+](CC(=O)N2CCc3sccc3C2)CC1 ZINC000101554561 543032338 /nfs/dbraw/zinc/03/23/38/543032338.db2.gz IWBWFHJGZGPMDJ-UHFFFAOYSA-N 1 2 366.490 2.327 20 30 FEEDLO CN(Cc1[nH+]ccn1C)C(=O)CCC(=O)N(CCC#N)c1ccccc1 ZINC000109248791 543318616 /nfs/dbraw/zinc/31/86/16/543318616.db2.gz JHNODTIGADLKLC-UHFFFAOYSA-N 1 2 353.426 2.106 20 30 FEEDLO NC(CN1CCOCC1)=[NH+]OCc1csc(-c2ccc(F)cc2)n1 ZINC000111182100 543383946 /nfs/dbraw/zinc/38/39/46/543383946.db2.gz UCFDLVOOCYTVAI-UHFFFAOYSA-N 1 2 350.419 2.070 20 30 FEEDLO CN(CC[NH+]1CCOCC1)C(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000111769873 543414914 /nfs/dbraw/zinc/41/49/14/543414914.db2.gz FGNPFKBMHVGECZ-UHFFFAOYSA-N 1 2 364.449 2.277 20 30 FEEDLO Oc1ccccc1/C=N/[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000112497341 543449387 /nfs/dbraw/zinc/44/93/87/543449387.db2.gz MAOTWCMOTWNDBB-RSZPVBOMSA-N 1 2 367.453 2.107 20 30 FEEDLO Oc1ccccc1/C=N/[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000112497341 543449389 /nfs/dbraw/zinc/44/93/89/543449389.db2.gz MAOTWCMOTWNDBB-RSZPVBOMSA-N 1 2 367.453 2.107 20 30 FEEDLO C#CC[NH+]1CCN(c2nnc(-c3ccoc3)n2Cc2cccs2)CC1 ZINC000802695949 674192095 /nfs/dbraw/zinc/19/20/95/674192095.db2.gz BUTVZOQTTROYDO-UHFFFAOYSA-N 1 2 353.451 2.403 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)C[C@@H]1CCOc2ccccc21 ZINC000117776385 543639798 /nfs/dbraw/zinc/63/97/98/543639798.db2.gz FPUBIWNYJUGVJX-KRWDZBQOSA-N 1 2 357.454 2.017 20 30 FEEDLO Cc1ccc2[nH]c(C(=O)N(CCC#N)CC[NH+]3CCOCC3)cc2c1C ZINC000116741419 543614285 /nfs/dbraw/zinc/61/42/85/543614285.db2.gz XGMKLXSZAQHVMA-UHFFFAOYSA-N 1 2 354.454 2.473 20 30 FEEDLO C=CCCC[N@@H+](C)CC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000121098585 543689537 /nfs/dbraw/zinc/68/95/37/543689537.db2.gz FVIAWMSDSDXWBJ-OAHLLOKOSA-N 1 2 370.540 2.162 20 30 FEEDLO C=CCCC[N@H+](C)CC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000121098585 543689539 /nfs/dbraw/zinc/68/95/39/543689539.db2.gz FVIAWMSDSDXWBJ-OAHLLOKOSA-N 1 2 370.540 2.162 20 30 FEEDLO COc1ncccc1CN1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000119267033 543666032 /nfs/dbraw/zinc/66/60/32/543666032.db2.gz HBHWBOFQJNTREE-UHFFFAOYSA-N 1 2 363.421 2.250 20 30 FEEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N(C)Cc1[nH+]ccn1C ZINC000119708343 543671539 /nfs/dbraw/zinc/67/15/39/543671539.db2.gz GYRHFVBXUCSZRA-CYBMUJFWSA-N 1 2 371.466 2.411 20 30 FEEDLO Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000120309030 543677902 /nfs/dbraw/zinc/67/79/02/543677902.db2.gz UXAFZTYANKZJIE-UHFFFAOYSA-N 1 2 354.458 2.406 20 30 FEEDLO C[C@H](C1CCOCC1)N1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000123004313 543736411 /nfs/dbraw/zinc/73/64/11/543736411.db2.gz PMGUMNPODDXJHE-CYBMUJFWSA-N 1 2 354.454 2.461 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)NCCNc2ccc3ccccc3[nH+]2)cc1 ZINC000123532415 543768026 /nfs/dbraw/zinc/76/80/26/543768026.db2.gz OIBFWZKQIBJYMP-UHFFFAOYSA-N 1 2 352.419 2.497 20 30 FEEDLO CCC[N@H+](CC(=O)NC)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000124039958 543797935 /nfs/dbraw/zinc/79/79/35/543797935.db2.gz INGXRKREHFEDDY-UHFFFAOYSA-N 1 2 350.850 2.045 20 30 FEEDLO CCC[N@@H+](CC(=O)NC)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000124039958 543797936 /nfs/dbraw/zinc/79/79/36/543797936.db2.gz INGXRKREHFEDDY-UHFFFAOYSA-N 1 2 350.850 2.045 20 30 FEEDLO CCN(CCC#N)C(=O)C[NH+]1CCC(c2ncc(C(F)(F)F)[nH]2)CC1 ZINC000125499966 543884926 /nfs/dbraw/zinc/88/49/26/543884926.db2.gz ZJJLTODNKPVAIP-UHFFFAOYSA-N 1 2 357.380 2.370 20 30 FEEDLO C[C@@H](C[S@](C)=O)[N@H+](C)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000126119386 543918846 /nfs/dbraw/zinc/91/88/46/543918846.db2.gz DLUICAVAWPKGIG-ZAMGYDSWSA-N 1 2 355.891 2.285 20 30 FEEDLO C[C@@H](C[S@](C)=O)[N@@H+](C)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000126119386 543918850 /nfs/dbraw/zinc/91/88/50/543918850.db2.gz DLUICAVAWPKGIG-ZAMGYDSWSA-N 1 2 355.891 2.285 20 30 FEEDLO C=CCC[C@H](CC)[NH2+]C1CCN(S(=O)(=O)NCC(F)(F)F)CC1 ZINC000130494141 544153293 /nfs/dbraw/zinc/15/32/93/544153293.db2.gz UQDVXONKYSIYOI-LBPRGKRZSA-N 1 2 357.442 2.182 20 30 FEEDLO COc1ccc(CN2CC[NH+](CC(=O)N3CCCC[C@H]3C)CC2)cc1C#N ZINC000134952378 544328768 /nfs/dbraw/zinc/32/87/68/544328768.db2.gz OXROVZPQAFHTPJ-QGZVFWFLSA-N 1 2 370.497 2.085 20 30 FEEDLO C=CCNc1ncc(C(=O)N2CCC[C@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000136214458 544369134 /nfs/dbraw/zinc/36/91/34/544369134.db2.gz YUPSTXQJOMZUDR-ZNMIVQPWSA-N 1 2 364.515 2.455 20 30 FEEDLO C=CCNc1ncc(C(=O)N2CCC[C@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000136214458 544369140 /nfs/dbraw/zinc/36/91/40/544369140.db2.gz YUPSTXQJOMZUDR-ZNMIVQPWSA-N 1 2 364.515 2.455 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000154031643 544855801 /nfs/dbraw/zinc/85/58/01/544855801.db2.gz MJXROJIDMRSRAH-UHFFFAOYSA-N 1 2 352.822 2.296 20 30 FEEDLO CC(C)CN1CC[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1=O ZINC000187061133 328000034 /nfs/dbraw/zinc/00/00/34/328000034.db2.gz SKMDUAPNRCWJIF-UHFFFAOYSA-N 1 2 351.454 2.259 20 30 FEEDLO CC(C)CN1CC[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1=O ZINC000187061133 328000036 /nfs/dbraw/zinc/00/00/36/328000036.db2.gz SKMDUAPNRCWJIF-UHFFFAOYSA-N 1 2 351.454 2.259 20 30 FEEDLO CCS(=O)(=O)CCCCC[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000190498609 328211836 /nfs/dbraw/zinc/21/18/36/328211836.db2.gz WMDBNHCKMDNFHB-UHFFFAOYSA-N 1 2 367.490 2.424 20 30 FEEDLO CCc1n[nH]c(C2CC[NH+]([C@@H](C)C(=O)Nc3ccccc3C#N)CC2)n1 ZINC000190682679 328224406 /nfs/dbraw/zinc/22/44/06/328224406.db2.gz ZRXCVTSSHYAUEX-ZDUSSCGKSA-N 1 2 352.442 2.445 20 30 FEEDLO CCc1nc(C2CC[NH+]([C@@H](C)C(=O)Nc3ccccc3C#N)CC2)n[nH]1 ZINC000190682679 328224408 /nfs/dbraw/zinc/22/44/08/328224408.db2.gz ZRXCVTSSHYAUEX-ZDUSSCGKSA-N 1 2 352.442 2.445 20 30 FEEDLO Cc1ccc(NC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c(C)[nH+]1 ZINC000192234978 328308340 /nfs/dbraw/zinc/30/83/40/328308340.db2.gz OHHHJQAKDAWIQU-SFHVURJKSA-N 1 2 363.421 2.493 20 30 FEEDLO N#Cc1ccc(N2CC[NH+](CC(=O)N3CCC[C@@H]4CCCC[C@@H]43)CC2)nc1 ZINC000193771868 328394351 /nfs/dbraw/zinc/39/43/51/328394351.db2.gz JVWLGSYOURJOQK-OALUTQOASA-N 1 2 367.497 2.256 20 30 FEEDLO N#Cc1ccc(-c2nnc(CN3CC[NH+](Cc4ccccn4)CC3)o2)cc1 ZINC000075613442 324896880 /nfs/dbraw/zinc/89/68/80/324896880.db2.gz LZOGAJMJORVGFL-UHFFFAOYSA-N 1 2 360.421 2.321 20 30 FEEDLO Cc1ccc([C@@H](CNC(=O)c2cc(C#N)cn2C)[NH+]2CCOCC2)cc1 ZINC000081034470 325156414 /nfs/dbraw/zinc/15/64/14/325156414.db2.gz WUJHBJCBLTUPEX-LJQANCHMSA-N 1 2 352.438 2.009 20 30 FEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[NH+]1CCC(OC[C@@H]2CCCO2)CC1 ZINC000083407211 325217583 /nfs/dbraw/zinc/21/75/83/325217583.db2.gz MFWKCACVCAPRBD-OALUTQOASA-N 1 2 358.438 2.432 20 30 FEEDLO COc1cccc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)c1OC ZINC000091936718 325398707 /nfs/dbraw/zinc/39/87/07/325398707.db2.gz XONZFHASKVWFRB-AWEZNQCLSA-N 1 2 353.426 2.076 20 30 FEEDLO COc1cccc(C[N@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)c1OC ZINC000091936718 325398708 /nfs/dbraw/zinc/39/87/08/325398708.db2.gz XONZFHASKVWFRB-AWEZNQCLSA-N 1 2 353.426 2.076 20 30 FEEDLO Cc1ccc(C[N@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000091936622 325398722 /nfs/dbraw/zinc/39/87/22/325398722.db2.gz KIHBSDMWEQWXHL-AWEZNQCLSA-N 1 2 352.398 2.276 20 30 FEEDLO Cc1ccc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000091936622 325398723 /nfs/dbraw/zinc/39/87/23/325398723.db2.gz KIHBSDMWEQWXHL-AWEZNQCLSA-N 1 2 352.398 2.276 20 30 FEEDLO Cn1ncc2c1nc[nH+]c2N1CCN(c2ccc(C#N)c(Cl)c2)CC1 ZINC000105340288 325565326 /nfs/dbraw/zinc/56/53/26/325565326.db2.gz XYNJLUDYBQNJGU-UHFFFAOYSA-N 1 2 353.817 2.215 20 30 FEEDLO COc1cc(OC)cc([C@H](Nc2cnc(C#N)cn2)c2[nH+]ccn2C)c1 ZINC000106463331 325599537 /nfs/dbraw/zinc/59/95/37/325599537.db2.gz GWWWZTWTKGLXSH-KRWDZBQOSA-N 1 2 350.382 2.300 20 30 FEEDLO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(Cc2ccc(F)c(C#N)c2)CC1 ZINC000119934743 326213516 /nfs/dbraw/zinc/21/35/16/326213516.db2.gz MYYLXEIABYAKGS-OAHLLOKOSA-N 1 2 358.461 2.262 20 30 FEEDLO C[C@@H]1C[C@H](C)CN(C(=O)CN2CC[NH+](Cc3cc(C#N)cs3)CC2)C1 ZINC000121411425 326337055 /nfs/dbraw/zinc/33/70/55/326337055.db2.gz UPZMNFRJYVPHEC-IYBDPMFKSA-N 1 2 360.527 2.242 20 30 FEEDLO N#Cc1ccsc1N1CC[C@H]([NH+]2CCC(N3CCCCC3=O)CC2)C1=O ZINC000153282719 326728890 /nfs/dbraw/zinc/72/88/90/326728890.db2.gz XDZFNZSUMVCVCO-INIZCTEOSA-N 1 2 372.494 2.202 20 30 FEEDLO CCN(CC)C(=O)C1CC[NH+]([C@@H](C(=O)OC)c2cccc(C#N)c2)CC1 ZINC000153614665 326737713 /nfs/dbraw/zinc/73/77/13/326737713.db2.gz PNUJFYLMPFBKSH-GOSISDBHSA-N 1 2 357.454 2.353 20 30 FEEDLO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(C#N)nc1)c1ccccc1Cl ZINC000170655775 327091460 /nfs/dbraw/zinc/09/14/60/327091460.db2.gz DJUUSJIWAXDWBQ-MRXNPFEDSA-N 1 2 364.858 2.188 20 30 FEEDLO Cc1cccc(NC(=O)C(=O)NCc2ccccc2-n2cc[nH+]c2)c1C#N ZINC000174787966 327351286 /nfs/dbraw/zinc/35/12/86/327351286.db2.gz BTBOGCNNFXJKDN-UHFFFAOYSA-N 1 2 359.389 2.307 20 30 FEEDLO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)Cc3nnc[nH]3)sc2C1 ZINC000174817246 327353131 /nfs/dbraw/zinc/35/31/31/327353131.db2.gz AYGOGLBYQFPPHK-NSHDSACASA-N 1 2 358.471 2.323 20 30 FEEDLO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+](C)Cc3nnc[nH]3)sc2C1 ZINC000174817246 327353133 /nfs/dbraw/zinc/35/31/33/327353133.db2.gz AYGOGLBYQFPPHK-NSHDSACASA-N 1 2 358.471 2.323 20 30 FEEDLO COc1cc(C#N)ccc1OCC[NH+]1CCN(C(=O)c2ccsc2)CC1 ZINC000265830822 329164593 /nfs/dbraw/zinc/16/45/93/329164593.db2.gz KPKOCARDRQQWEQ-UHFFFAOYSA-N 1 2 371.462 2.465 20 30 FEEDLO COc1ccc(F)cc1C[NH+]1CCN(c2ncc([N+](=O)[O-])cc2C#N)CC1 ZINC000266533386 329233686 /nfs/dbraw/zinc/23/36/86/329233686.db2.gz GCRYYVQDAIYCMM-UHFFFAOYSA-N 1 2 371.372 2.331 20 30 FEEDLO COC(=O)[C@H]1CC12CC[NH+](CC(=O)Nc1sc(C)c(C)c1C#N)CC2 ZINC000267428643 329326273 /nfs/dbraw/zinc/32/62/73/329326273.db2.gz YCZVYKURWPQFOG-CQSZACIVSA-N 1 2 361.467 2.450 20 30 FEEDLO C[C@H]1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000268333495 329409289 /nfs/dbraw/zinc/40/92/89/329409289.db2.gz NEWTZUWGXYJWQU-LRDDRELGSA-N 1 2 371.828 2.456 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@@H]3CCOC4(CCC4)C3)CC2)cc1 ZINC000269220529 329497565 /nfs/dbraw/zinc/49/75/65/329497565.db2.gz CXXNWDWDPCTQQC-LJQANCHMSA-N 1 2 368.481 2.487 20 30 FEEDLO C[C@H]1C[C@H](CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCO1 ZINC000271714210 329718009 /nfs/dbraw/zinc/71/80/09/329718009.db2.gz WQINKTJOXMVAHP-QFBILLFUSA-N 1 2 356.470 2.201 20 30 FEEDLO C[C@@H]1C[C@@H](CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCO1 ZINC000271714208 329718151 /nfs/dbraw/zinc/71/81/51/329718151.db2.gz WQINKTJOXMVAHP-APWZRJJASA-N 1 2 356.470 2.201 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@@H]3CCO[C@H](C4CC4)C3)CC2)cc1 ZINC000274237175 329929537 /nfs/dbraw/zinc/92/95/37/329929537.db2.gz ZNJWEHUGCUUJQI-UXHICEINSA-N 1 2 368.481 2.343 20 30 FEEDLO Cn1cc[nH+]c1[C@H]1CCCN1C(=O)c1ccc(-n2ncc(C#N)c2N)cc1 ZINC000371466963 330245707 /nfs/dbraw/zinc/24/57/07/330245707.db2.gz ULUURUSBPPGVKD-MRXNPFEDSA-N 1 2 361.409 2.037 20 30 FEEDLO CCCNC(=O)OC[C@H]1CCCC[N@@H+]1CC(=O)N[C@](C)(C#N)C(C)C ZINC000805774431 674353336 /nfs/dbraw/zinc/35/33/36/674353336.db2.gz KGFMWKYBRBAZPL-CRAIPNDOSA-N 1 2 352.479 2.032 20 30 FEEDLO CCCNC(=O)OC[C@H]1CCCC[N@H+]1CC(=O)N[C@](C)(C#N)C(C)C ZINC000805774431 674353338 /nfs/dbraw/zinc/35/33/38/674353338.db2.gz KGFMWKYBRBAZPL-CRAIPNDOSA-N 1 2 352.479 2.032 20 30 FEEDLO COC(=O)[C@H]1[C@@H](C(=O)OC)CCC[N@@H+]1Cc1ccccc1C(C)(C)C#N ZINC000156340050 545619054 /nfs/dbraw/zinc/61/90/54/545619054.db2.gz QYRLCPVRHLYTFV-DOTOQJQBSA-N 1 2 358.438 2.414 20 30 FEEDLO COC(=O)[C@H]1[C@@H](C(=O)OC)CCC[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000156340050 545619056 /nfs/dbraw/zinc/61/90/56/545619056.db2.gz QYRLCPVRHLYTFV-DOTOQJQBSA-N 1 2 358.438 2.414 20 30 FEEDLO CCO[C@@H]1C[C@@H]([N@H+](C)CCS(=O)(=O)c2cccc(C#N)c2)C1(C)C ZINC000156782556 545658067 /nfs/dbraw/zinc/65/80/67/545658067.db2.gz MTFFVOWEXGSHHZ-IAGOWNOFSA-N 1 2 350.484 2.467 20 30 FEEDLO CCO[C@@H]1C[C@@H]([N@@H+](C)CCS(=O)(=O)c2cccc(C#N)c2)C1(C)C ZINC000156782556 545658071 /nfs/dbraw/zinc/65/80/71/545658071.db2.gz MTFFVOWEXGSHHZ-IAGOWNOFSA-N 1 2 350.484 2.467 20 30 FEEDLO C=CCOC(=O)C1C(C)=NC(=S)N[C@@H]1c1ccc(N2CCCC2)[nH+]c1 ZINC000159387759 545948896 /nfs/dbraw/zinc/94/88/96/545948896.db2.gz FLDIZUSQYMRTPY-MRXNPFEDSA-N 1 2 358.467 2.204 20 30 FEEDLO N#Cc1ccc(Cl)cc1NC(=O)CN1CC[NH+](Cc2ccncc2)CC1 ZINC000161145977 546103945 /nfs/dbraw/zinc/10/39/45/546103945.db2.gz NQHZIVQCPHXSNV-UHFFFAOYSA-N 1 2 369.856 2.363 20 30 FEEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN(Cc2ccc(Br)cc2)CC1 ZINC000163981669 546148952 /nfs/dbraw/zinc/14/89/52/546148952.db2.gz QJVHUTMVNCJZRU-AWEZNQCLSA-N 1 2 366.303 2.257 20 30 FEEDLO Cc1ccc(C)c(N2CC[NH+](CC(=O)N(CCC#N)CCC#N)CC2)c1 ZINC000164698990 546151229 /nfs/dbraw/zinc/15/12/29/546151229.db2.gz OWLBGKXRDAQAOI-UHFFFAOYSA-N 1 2 353.470 2.081 20 30 FEEDLO C[N@@H+]1CC[C@H](NS(=O)(=O)CCCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000167926398 546158254 /nfs/dbraw/zinc/15/82/54/546158254.db2.gz ITZIPVIOGOTCLA-GJZGRUSLSA-N 1 2 359.854 2.447 20 30 FEEDLO C[N@H+]1CC[C@H](NS(=O)(=O)CCCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000167926398 546158260 /nfs/dbraw/zinc/15/82/60/546158260.db2.gz ITZIPVIOGOTCLA-GJZGRUSLSA-N 1 2 359.854 2.447 20 30 FEEDLO COc1cccc([C@@H](C)N2CC[NH+]([C@H](C)C(=O)N(C)CCC#N)CC2)c1 ZINC000171705978 546219489 /nfs/dbraw/zinc/21/94/89/546219489.db2.gz NOPLQDNFRSEZDO-IAGOWNOFSA-N 1 2 358.486 2.134 20 30 FEEDLO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000479790335 561197159 /nfs/dbraw/zinc/19/71/59/561197159.db2.gz VGMVEJIXBLUQIJ-QGZVFWFLSA-N 1 2 363.506 2.272 20 30 FEEDLO COc1ccc(S(=O)(=O)N2CC[NH+](CCCC(C)(C)C#N)CC2)cc1 ZINC000174808103 546304044 /nfs/dbraw/zinc/30/40/44/546304044.db2.gz FVPCZVJZZBFVGS-UHFFFAOYSA-N 1 2 365.499 2.331 20 30 FEEDLO O=C(NCCCn1cc[nH+]c1)C(=O)Nc1ccccc1C#Cc1ccccc1 ZINC000175793168 546351944 /nfs/dbraw/zinc/35/19/44/546351944.db2.gz YWYFAGJUFHPNHE-UHFFFAOYSA-N 1 2 372.428 2.428 20 30 FEEDLO C=CCn1c(C)nnc1S(=O)(=O)Cc1cn2cc(Cl)ccc2[nH+]1 ZINC000176707473 546478200 /nfs/dbraw/zinc/47/82/00/546478200.db2.gz ZDOPHLQKUNWYRT-UHFFFAOYSA-N 1 2 351.819 2.048 20 30 FEEDLO Cc1nc2ccc(NC(=O)N(CCC#N)CC[NH+]3CCOCC3)cc2o1 ZINC000176837345 546495493 /nfs/dbraw/zinc/49/54/93/546495493.db2.gz LBVKBODIIUVFKN-UHFFFAOYSA-N 1 2 357.414 2.216 20 30 FEEDLO CCOc1ccc(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1F ZINC000176903260 546504951 /nfs/dbraw/zinc/50/49/51/546504951.db2.gz GRQNDOWGQNCKLI-UHFFFAOYSA-N 1 2 364.421 2.304 20 30 FEEDLO CCN(C1CC[NH+](CC#Cc2ccc(Cl)cc2)CC1)S(C)(=O)=O ZINC000177155863 546557562 /nfs/dbraw/zinc/55/75/62/546557562.db2.gz FAXYNZDXSFDSTB-UHFFFAOYSA-N 1 2 354.903 2.437 20 30 FEEDLO C=C(C)CN(CC)C(=O)CO[NH+]=C(N)c1ccc(N2CCCCC2)nc1 ZINC000177568148 546645796 /nfs/dbraw/zinc/64/57/96/546645796.db2.gz POLLCNIZMJCWFS-UHFFFAOYSA-N 1 2 359.474 2.133 20 30 FEEDLO Cc1cc(C)n(Cc2cccc(C(N)=[NH+]O[C@H]3CCN(C(C)C)C3=O)c2)n1 ZINC000177573413 546646801 /nfs/dbraw/zinc/64/68/01/546646801.db2.gz TWHCWHPUTWFZNL-SFHVURJKSA-N 1 2 369.469 2.194 20 30 FEEDLO N#Cc1ccc(CS(=O)(=O)NC2CCN(c3cccc[nH+]3)CC2)c(F)c1 ZINC000481027771 561223327 /nfs/dbraw/zinc/22/33/27/561223327.db2.gz VNXXWIGYQUWJAT-UHFFFAOYSA-N 1 2 374.441 2.181 20 30 FEEDLO C=CCCC[C@H](C)NC(=O)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000481250593 561228986 /nfs/dbraw/zinc/22/89/86/561228986.db2.gz KMOVPRZBTWFWRE-AWEZNQCLSA-N 1 2 358.417 2.489 20 30 FEEDLO Cc1c(C#N)cccc1NC(=O)N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC000178556880 546811323 /nfs/dbraw/zinc/81/13/23/546811323.db2.gz VLXLWOYIMRSMFP-MRXNPFEDSA-N 1 2 369.469 2.027 20 30 FEEDLO N#Cc1ccc([C@@H](C(N)=O)[NH+]2CCC(O)(Cc3ccc(F)cc3)CC2)cc1 ZINC000481602490 561237221 /nfs/dbraw/zinc/23/72/21/561237221.db2.gz VZFGVEZTSKGBMR-IBGZPJMESA-N 1 2 367.424 2.293 20 30 FEEDLO C=CCNC(=O)CNC(=O)N1CC[NH+]([C@H](C)c2ccccc2Cl)CC1 ZINC000181151138 547259591 /nfs/dbraw/zinc/25/95/91/547259591.db2.gz PEXSKPBEXWADMD-CQSZACIVSA-N 1 2 364.877 2.030 20 30 FEEDLO CNC(=O)[C@@H]1C[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)CCO1 ZINC000182472191 547499295 /nfs/dbraw/zinc/49/92/95/547499295.db2.gz GRJQLOIQOHUNCH-FQEVSTJZSA-N 1 2 365.433 2.084 20 30 FEEDLO CNC(=O)[C@@H]1C[N@@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)CCO1 ZINC000182472191 547499304 /nfs/dbraw/zinc/49/93/04/547499304.db2.gz GRJQLOIQOHUNCH-FQEVSTJZSA-N 1 2 365.433 2.084 20 30 FEEDLO C=CCc1ccc(OC[C@H](O)C[NH+]2C[C@@H](C)S(=O)[C@H](C)C2)c(OC)c1 ZINC000484727814 561304622 /nfs/dbraw/zinc/30/46/22/561304622.db2.gz MFLFCZQIDAZGJE-BFYDXBDKSA-N 1 2 367.511 2.005 20 30 FEEDLO C=CCOc1ccc(C(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)cc1OC ZINC000185429937 547983736 /nfs/dbraw/zinc/98/37/36/547983736.db2.gz KVLXHCGWIZUYDN-UHFFFAOYSA-N 1 2 368.437 2.321 20 30 FEEDLO CC[C@H](CC#N)NC(=O)Nc1ccccc1C[NH+]1CCN(C(C)=O)CC1 ZINC000186872186 548208863 /nfs/dbraw/zinc/20/88/63/548208863.db2.gz NSENJLKXEXTUAT-QGZVFWFLSA-N 1 2 357.458 2.164 20 30 FEEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CC[C@H](O)[C@H](C)C2)c1C#N ZINC000186914931 548217754 /nfs/dbraw/zinc/21/77/54/548217754.db2.gz JDXNJHQBOLNOLR-ACJLOTCBSA-N 1 2 370.453 2.259 20 30 FEEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CC[C@H](O)[C@H](C)C2)c1C#N ZINC000186914931 548217758 /nfs/dbraw/zinc/21/77/58/548217758.db2.gz JDXNJHQBOLNOLR-ACJLOTCBSA-N 1 2 370.453 2.259 20 30 FEEDLO C=C[C@@](C)(CC)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000188395202 548279191 /nfs/dbraw/zinc/27/91/91/548279191.db2.gz DAACKYNMDLMORX-JXFKEZNVSA-N 1 2 373.501 2.001 20 30 FEEDLO C=C[C@@](C)(CC)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000188395202 548279197 /nfs/dbraw/zinc/27/91/97/548279197.db2.gz DAACKYNMDLMORX-JXFKEZNVSA-N 1 2 373.501 2.001 20 30 FEEDLO COCCN1CCC[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)CC1=O ZINC000190769439 548333900 /nfs/dbraw/zinc/33/39/00/548333900.db2.gz YNABUICKDWUAHP-UHFFFAOYSA-N 1 2 370.371 2.117 20 30 FEEDLO COCCN1CCC[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)CC1=O ZINC000190769439 548333903 /nfs/dbraw/zinc/33/39/03/548333903.db2.gz YNABUICKDWUAHP-UHFFFAOYSA-N 1 2 370.371 2.117 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CCCN(C)C(=O)C2)c1 ZINC000191154004 548341540 /nfs/dbraw/zinc/34/15/40/548341540.db2.gz HUAOHEVNTBZLHB-QGZVFWFLSA-N 1 2 356.470 2.103 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CCCN(C)C(=O)C2)c1 ZINC000191154004 548341544 /nfs/dbraw/zinc/34/15/44/548341544.db2.gz HUAOHEVNTBZLHB-QGZVFWFLSA-N 1 2 356.470 2.103 20 30 FEEDLO C[C@@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN(CC#Cc3ccccc3)CC2)C1 ZINC000191917879 548352734 /nfs/dbraw/zinc/35/27/34/548352734.db2.gz HHSNJOLUPYGSMT-BGYRXZFFSA-N 1 2 353.510 2.160 20 30 FEEDLO C#CC[N@@H+](C)CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000192220206 548361584 /nfs/dbraw/zinc/36/15/84/548361584.db2.gz QZIWZLXWVSKBDJ-UHFFFAOYSA-N 1 2 355.360 2.046 20 30 FEEDLO C#CC[N@H+](C)CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000192220206 548361588 /nfs/dbraw/zinc/36/15/88/548361588.db2.gz QZIWZLXWVSKBDJ-UHFFFAOYSA-N 1 2 355.360 2.046 20 30 FEEDLO CC(C)c1cnc(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)s1 ZINC000192397268 548363568 /nfs/dbraw/zinc/36/35/68/548363568.db2.gz JKFYZSDKUXIFLZ-UHFFFAOYSA-N 1 2 351.476 2.346 20 30 FEEDLO C[C@@H]1CN(c2ccc(CNC(=O)Cc3ccc(C#N)cc3)c[nH+]2)C[C@H](C)O1 ZINC000194739689 548524930 /nfs/dbraw/zinc/52/49/30/548524930.db2.gz XOPFLSCRZFWJKJ-IYBDPMFKSA-N 1 2 364.449 2.426 20 30 FEEDLO C[C@H](NC(=O)C[N@H+](Cc1ccc(C#N)cc1)C1CC1)C(=O)N1CCCCC1 ZINC000194959275 548556302 /nfs/dbraw/zinc/55/63/02/548556302.db2.gz KECORLUEGVEPHD-INIZCTEOSA-N 1 2 368.481 2.040 20 30 FEEDLO C[C@H](NC(=O)C[N@@H+](Cc1ccc(C#N)cc1)C1CC1)C(=O)N1CCCCC1 ZINC000194959275 548556307 /nfs/dbraw/zinc/55/63/07/548556307.db2.gz KECORLUEGVEPHD-INIZCTEOSA-N 1 2 368.481 2.040 20 30 FEEDLO C=CCOc1ccc(C(=O)NCC2([NH+]3CCOCC3)CC(OCC)C2)cc1 ZINC000195197369 548595847 /nfs/dbraw/zinc/59/58/47/548595847.db2.gz UIAFQVXTSXZRMU-UHFFFAOYSA-N 1 2 374.481 2.251 20 30 FEEDLO CC[C@@H](C)NC(=O)C[NH+]1CCN(c2c(C#N)cnc3ccc(C)cc32)CC1 ZINC000487910331 561378512 /nfs/dbraw/zinc/37/85/12/561378512.db2.gz HPVUGPXXXZLBQF-MRXNPFEDSA-N 1 2 365.481 2.452 20 30 FEEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000245420954 548913941 /nfs/dbraw/zinc/91/39/41/548913941.db2.gz HSHXAYQATBVNRC-BBRMVZONSA-N 1 2 355.360 2.321 20 30 FEEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000245420954 548913942 /nfs/dbraw/zinc/91/39/42/548913942.db2.gz HSHXAYQATBVNRC-BBRMVZONSA-N 1 2 355.360 2.321 20 30 FEEDLO CC(C)NC(=O)C[NH+]1CCN(c2c(C#N)cnc3c(F)cc(F)cc32)CC1 ZINC000488116102 561383886 /nfs/dbraw/zinc/38/38/86/561383886.db2.gz WFBGCCFDQKPIAU-UHFFFAOYSA-N 1 2 373.407 2.031 20 30 FEEDLO N#Cc1cc(S(=O)(=O)NCc2ccccc2-n2cc[nH+]c2)ccc1F ZINC000488964857 561400492 /nfs/dbraw/zinc/40/04/92/561400492.db2.gz ASOSIVIFWYWJSF-UHFFFAOYSA-N 1 2 356.382 2.362 20 30 FEEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CC[C@@H](C)C[C@H]2C(N)=O)c1C ZINC000249554131 549604352 /nfs/dbraw/zinc/60/43/52/549604352.db2.gz JBXPTWYMIICECF-KDOFPFPSSA-N 1 2 356.470 2.136 20 30 FEEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H](C)C[C@H]2C(N)=O)c1C ZINC000249554131 549604355 /nfs/dbraw/zinc/60/43/55/549604355.db2.gz JBXPTWYMIICECF-KDOFPFPSSA-N 1 2 356.470 2.136 20 30 FEEDLO Cn1cc[nH+]c1[C@@H](NC(=O)N1CCO[C@@H](C#N)C1)c1ccc(Cl)cc1 ZINC000264398917 549995431 /nfs/dbraw/zinc/99/54/31/549995431.db2.gz OOMWYRPGSRCYAA-GJZGRUSLSA-N 1 2 359.817 2.097 20 30 FEEDLO N#Cc1ccc(/C=C2\SC(=S)N(CC[NH+]3CCOCC3)C2=O)s1 ZINC000267392595 550030546 /nfs/dbraw/zinc/03/05/46/550030546.db2.gz WBEZCKHTXIYHDJ-LCYFTJDESA-N 1 2 365.505 2.153 20 30 FEEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@](F)(C(=O)OC)C1 ZINC000267765020 550034735 /nfs/dbraw/zinc/03/47/35/550034735.db2.gz FYCIYGZKMMFISS-SUMWQHHRSA-N 1 2 354.447 2.238 20 30 FEEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@](F)(C(=O)OC)C1 ZINC000267765020 550034737 /nfs/dbraw/zinc/03/47/37/550034737.db2.gz FYCIYGZKMMFISS-SUMWQHHRSA-N 1 2 354.447 2.238 20 30 FEEDLO C[N@H+](CCC1CCOCC1)CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000268196657 550037747 /nfs/dbraw/zinc/03/77/47/550037747.db2.gz QMJOLJREDQIVHP-INIZCTEOSA-N 1 2 368.437 2.260 20 30 FEEDLO C[N@@H+](CCC1CCOCC1)CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000268196657 550037751 /nfs/dbraw/zinc/03/77/51/550037751.db2.gz QMJOLJREDQIVHP-INIZCTEOSA-N 1 2 368.437 2.260 20 30 FEEDLO C=CCNC(=O)[C@H](C)[N@H+](CCC)CC(=O)Nc1ccc(F)c(F)c1F ZINC000268250338 550039851 /nfs/dbraw/zinc/03/98/51/550039851.db2.gz ORARPXGWWORULO-NSHDSACASA-N 1 2 357.376 2.445 20 30 FEEDLO C=CCNC(=O)[C@H](C)[N@@H+](CCC)CC(=O)Nc1ccc(F)c(F)c1F ZINC000268250338 550039852 /nfs/dbraw/zinc/03/98/52/550039852.db2.gz ORARPXGWWORULO-NSHDSACASA-N 1 2 357.376 2.445 20 30 FEEDLO CC(C)Oc1cc(C[N@H+](CC(=O)N(CCC#N)CCC#N)C2CC2)ccn1 ZINC000270505858 550278529 /nfs/dbraw/zinc/27/85/29/550278529.db2.gz QXKBZIISCDXDFY-UHFFFAOYSA-N 1 2 369.469 2.489 20 30 FEEDLO CC(C)Oc1cc(C[N@@H+](CC(=O)N(CCC#N)CCC#N)C2CC2)ccn1 ZINC000270505858 550278531 /nfs/dbraw/zinc/27/85/31/550278531.db2.gz QXKBZIISCDXDFY-UHFFFAOYSA-N 1 2 369.469 2.489 20 30 FEEDLO Cc1cc(C2CC[NH+](CCS(=O)(=O)c3ccc(C#N)cc3)CC2)[nH]n1 ZINC000271644901 550392051 /nfs/dbraw/zinc/39/20/51/550392051.db2.gz QQJOYARCOVAISQ-UHFFFAOYSA-N 1 2 358.467 2.243 20 30 FEEDLO Cc1cc(C2CC[NH+](CCS(=O)(=O)c3ccc(C#N)cc3)CC2)n[nH]1 ZINC000271644901 550392053 /nfs/dbraw/zinc/39/20/53/550392053.db2.gz QQJOYARCOVAISQ-UHFFFAOYSA-N 1 2 358.467 2.243 20 30 FEEDLO CCN(CCC#N)C(=O)C[N@H+](CCO)Cc1cc(Br)cs1 ZINC000494249105 561465585 /nfs/dbraw/zinc/46/55/85/561465585.db2.gz XSOQVWBREXWQIU-UHFFFAOYSA-N 1 2 374.304 2.067 20 30 FEEDLO CCN(CCC#N)C(=O)C[N@@H+](CCO)Cc1cc(Br)cs1 ZINC000494249105 561465586 /nfs/dbraw/zinc/46/55/86/561465586.db2.gz XSOQVWBREXWQIU-UHFFFAOYSA-N 1 2 374.304 2.067 20 30 FEEDLO CC1(C#N)CCN(CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000272646863 550463023 /nfs/dbraw/zinc/46/30/23/550463023.db2.gz YOUBOLXTYJROIX-UHFFFAOYSA-N 1 2 356.470 2.083 20 30 FEEDLO Cc1cc(Br)cn2cc(CNS(=O)(=O)CCCC#N)[nH+]c12 ZINC000273640156 550506552 /nfs/dbraw/zinc/50/65/52/550506552.db2.gz UQHKRXXTJVIZBP-UHFFFAOYSA-N 1 2 371.260 2.128 20 30 FEEDLO Cc1nc(N2CCN(C(=O)Nc3cccc(OCC#N)c3)CC2)cc[nH+]1 ZINC000273662052 550507252 /nfs/dbraw/zinc/50/72/52/550507252.db2.gz IAVWPPOHJHQJGV-UHFFFAOYSA-N 1 2 352.398 2.042 20 30 FEEDLO C=CCCCCNC(=O)C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000274494151 550540213 /nfs/dbraw/zinc/54/02/13/550540213.db2.gz HWUIMNONCMPDAP-MRXNPFEDSA-N 1 2 359.470 2.491 20 30 FEEDLO C[NH+](C)C1(C#N)CCN(C(=O)Nc2ccc3c(c2)OC(F)(F)O3)CC1 ZINC000274819481 550557198 /nfs/dbraw/zinc/55/71/98/550557198.db2.gz PFADUODFYWBSLS-UHFFFAOYSA-N 1 2 352.341 2.460 20 30 FEEDLO COC(=O)COc1ccc(C[N@H+](C)CC(=O)Nc2sccc2C#N)cc1 ZINC000274847301 550558964 /nfs/dbraw/zinc/55/89/64/550558964.db2.gz FELCUIJWXAXKFO-UHFFFAOYSA-N 1 2 373.434 2.242 20 30 FEEDLO COC(=O)COc1ccc(C[N@@H+](C)CC(=O)Nc2sccc2C#N)cc1 ZINC000274847301 550558965 /nfs/dbraw/zinc/55/89/65/550558965.db2.gz FELCUIJWXAXKFO-UHFFFAOYSA-N 1 2 373.434 2.242 20 30 FEEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+]2C[C@@H](O)C3(CC3)C2)c1C#N ZINC000494708303 561474884 /nfs/dbraw/zinc/47/48/84/561474884.db2.gz IVRNJPVQUCSASD-GOSISDBHSA-N 1 2 364.449 2.361 20 30 FEEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+]2C[C@@H](O)C3(CC3)C2)c1C#N ZINC000494708303 561474885 /nfs/dbraw/zinc/47/48/85/561474885.db2.gz IVRNJPVQUCSASD-GOSISDBHSA-N 1 2 364.449 2.361 20 30 FEEDLO C=CCc1cc(C(=O)NCC2([NH+]3CCOCC3)CC2)cc(OC)c1OC ZINC000277915243 550728711 /nfs/dbraw/zinc/72/87/11/550728711.db2.gz MUDMXVZAVIBJFM-UHFFFAOYSA-N 1 2 360.454 2.027 20 30 FEEDLO N#CCOc1cccc(Cc2nc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)c1 ZINC000278250723 550765543 /nfs/dbraw/zinc/76/55/43/550765543.db2.gz ZSEIXMKOXXUELE-NVXWUHKLSA-N 1 2 354.410 2.489 20 30 FEEDLO N#CCOc1cccc(Cc2nc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)c1 ZINC000278250723 550765544 /nfs/dbraw/zinc/76/55/44/550765544.db2.gz ZSEIXMKOXXUELE-NVXWUHKLSA-N 1 2 354.410 2.489 20 30 FEEDLO C[C@@H]([NH2+]CC(=O)N(CCC#N)CCC#N)c1nc(C(F)(F)F)cs1 ZINC000278894902 550833324 /nfs/dbraw/zinc/83/33/24/550833324.db2.gz JDFXJPDAZVFHGG-SNVBAGLBSA-N 1 2 359.377 2.468 20 30 FEEDLO N#Cc1cc(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)ccc1F ZINC000279237479 550868359 /nfs/dbraw/zinc/86/83/59/550868359.db2.gz REVIPGYLGCHLHF-SFHVURJKSA-N 1 2 353.397 2.328 20 30 FEEDLO N#Cc1cc(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)ccc1F ZINC000279237479 550868360 /nfs/dbraw/zinc/86/83/60/550868360.db2.gz REVIPGYLGCHLHF-SFHVURJKSA-N 1 2 353.397 2.328 20 30 FEEDLO CO[C@@]1(C)CCC[N@H+](CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000279395202 550885104 /nfs/dbraw/zinc/88/51/04/550885104.db2.gz URKCLXMCZOZKCQ-LIRRHRJNSA-N 1 2 354.410 2.013 20 30 FEEDLO CO[C@@]1(C)CCC[N@@H+](CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000279395202 550885106 /nfs/dbraw/zinc/88/51/06/550885106.db2.gz URKCLXMCZOZKCQ-LIRRHRJNSA-N 1 2 354.410 2.013 20 30 FEEDLO Cc1cc2[nH+]cn(C[C@@H](O)CSc3nnc(CC#N)n3C)c2cc1C ZINC000279821869 550932680 /nfs/dbraw/zinc/93/26/80/550932680.db2.gz BCZCYMJOYQGLDL-CYBMUJFWSA-N 1 2 356.455 2.001 20 30 FEEDLO C[C@H](O)C[C@H]1CCCC[N@@H+]1CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000279829207 550933527 /nfs/dbraw/zinc/93/35/27/550933527.db2.gz QYXJDRBQKCQACI-SQWLQELKSA-N 1 2 368.437 2.137 20 30 FEEDLO C[C@H](O)C[C@H]1CCCC[N@H+]1CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000279829207 550933529 /nfs/dbraw/zinc/93/35/29/550933529.db2.gz QYXJDRBQKCQACI-SQWLQELKSA-N 1 2 368.437 2.137 20 30 FEEDLO CCn1nc(C)c([N+](=O)[O-])c1N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000280046213 550955624 /nfs/dbraw/zinc/95/56/24/550955624.db2.gz MTLQJFWTHDAODV-UHFFFAOYSA-N 1 2 354.414 2.314 20 30 FEEDLO Cc1oc(C#N)cc1C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000280611425 551013285 /nfs/dbraw/zinc/01/32/85/551013285.db2.gz QLNQOWARHPKCCF-UHFFFAOYSA-N 1 2 356.401 2.151 20 30 FEEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000280820116 551035744 /nfs/dbraw/zinc/03/57/44/551035744.db2.gz VIDKUPZBZLTXMS-YSTOQKLRSA-N 1 2 356.466 2.079 20 30 FEEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000280820116 551035746 /nfs/dbraw/zinc/03/57/46/551035746.db2.gz VIDKUPZBZLTXMS-YSTOQKLRSA-N 1 2 356.466 2.079 20 30 FEEDLO Cc1sc(NC(=O)C[N@H+](CCCO)Cc2ccccn2)c(C#N)c1C ZINC000280895856 551043278 /nfs/dbraw/zinc/04/32/78/551043278.db2.gz DMCPRZGAMZDCFE-UHFFFAOYSA-N 1 2 358.467 2.455 20 30 FEEDLO Cc1sc(NC(=O)C[N@@H+](CCCO)Cc2ccccn2)c(C#N)c1C ZINC000280895856 551043280 /nfs/dbraw/zinc/04/32/80/551043280.db2.gz DMCPRZGAMZDCFE-UHFFFAOYSA-N 1 2 358.467 2.455 20 30 FEEDLO C=CCN1CC[C@@H](N(C)C(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)C1=O ZINC000281222528 551075333 /nfs/dbraw/zinc/07/53/33/551075333.db2.gz DLGVSCRZXPVIHP-MSOLQXFVSA-N 1 2 373.522 2.022 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+]2CCCC[C@@H]2c2nnc(C3CCOCC3)o2)C1=O ZINC000281292280 551081886 /nfs/dbraw/zinc/08/18/86/551081886.db2.gz JHAQIYXNVTVJDR-CVEARBPZSA-N 1 2 360.458 2.278 20 30 FEEDLO C=CCN1CC[C@H]([N@H+]2CCCC[C@@H]2c2nnc(C3CCOCC3)o2)C1=O ZINC000281292280 551081887 /nfs/dbraw/zinc/08/18/87/551081887.db2.gz JHAQIYXNVTVJDR-CVEARBPZSA-N 1 2 360.458 2.278 20 30 FEEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)N(C)Cc2c(F)cccc2Cl)C1=O ZINC000281323530 551084500 /nfs/dbraw/zinc/08/45/00/551084500.db2.gz LJPVDHZOKNZDOF-MRXNPFEDSA-N 1 2 367.852 2.156 20 30 FEEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)N(C)Cc2c(F)cccc2Cl)C1=O ZINC000281323530 551084502 /nfs/dbraw/zinc/08/45/02/551084502.db2.gz LJPVDHZOKNZDOF-MRXNPFEDSA-N 1 2 367.852 2.156 20 30 FEEDLO C=CC[N@@H+](Cc1ccc(-c2cnn(C)c2)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000282751924 551266573 /nfs/dbraw/zinc/26/65/73/551266573.db2.gz HBLVMJIOSSNVNU-CQSZACIVSA-N 1 2 351.497 2.324 20 30 FEEDLO C=CC[N@H+](Cc1ccc(-c2cnn(C)c2)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000282751924 551266575 /nfs/dbraw/zinc/26/65/75/551266575.db2.gz HBLVMJIOSSNVNU-CQSZACIVSA-N 1 2 351.497 2.324 20 30 FEEDLO C[C@H](CC#N)N(C)S(=O)(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000282893209 551282425 /nfs/dbraw/zinc/28/24/25/551282425.db2.gz DVDPSMXALALFSF-OAHLLOKOSA-N 1 2 365.503 2.030 20 30 FEEDLO C#CC[NH+]1CCN(c2nnc(COc3ccccc3OCC)n2CC)CC1 ZINC000283024850 551299384 /nfs/dbraw/zinc/29/93/84/551299384.db2.gz HZDMIBYWJVRGAD-UHFFFAOYSA-N 1 2 369.469 2.031 20 30 FEEDLO C#CC[NH+]1CCN(c2nnc(-c3ccccc3C)n2C[C@H]2CCOC2)CC1 ZINC000283559688 551387984 /nfs/dbraw/zinc/38/79/84/551387984.db2.gz ZCXBASKLMNQRMC-GOSISDBHSA-N 1 2 365.481 2.045 20 30 FEEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(C)s3)n2C[C@H]2CCCO2)CC1 ZINC000283616101 551397204 /nfs/dbraw/zinc/39/72/04/551397204.db2.gz XTSWABKAGDQWTC-MRXNPFEDSA-N 1 2 371.510 2.249 20 30 FEEDLO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)NC1(C#N)CCCCC1 ZINC000283811516 551431036 /nfs/dbraw/zinc/43/10/36/551431036.db2.gz XNNMNVFGSRDFOR-SJORKVTESA-N 1 2 353.470 2.383 20 30 FEEDLO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)NC1(C#N)CCCCC1 ZINC000283811516 551431037 /nfs/dbraw/zinc/43/10/37/551431037.db2.gz XNNMNVFGSRDFOR-SJORKVTESA-N 1 2 353.470 2.383 20 30 FEEDLO N#C[C@H](C(=O)C[N@@H+]1CCC[C@@H]1[C@H]1CCCO1)c1nc2ccccc2c(=O)[nH]1 ZINC000284977840 551681798 /nfs/dbraw/zinc/68/17/98/551681798.db2.gz XYCBOHLQZBGRRJ-QGPMSJSTSA-N 1 2 366.421 2.155 20 30 FEEDLO N#C[C@H](C(=O)C[N@H+]1CCC[C@@H]1[C@H]1CCCO1)c1nc2ccccc2c(=O)[nH]1 ZINC000284977840 551681799 /nfs/dbraw/zinc/68/17/99/551681799.db2.gz XYCBOHLQZBGRRJ-QGPMSJSTSA-N 1 2 366.421 2.155 20 30 FEEDLO C=CC[N@H+](CCC(=O)N1CCCc2ccccc21)[C@H]1CCS(=O)(=O)C1 ZINC000285077043 551701031 /nfs/dbraw/zinc/70/10/31/551701031.db2.gz PLWFJYGZEWZPCB-KRWDZBQOSA-N 1 2 362.495 2.031 20 30 FEEDLO C=CC[N@@H+](CCC(=O)N1CCCc2ccccc21)[C@H]1CCS(=O)(=O)C1 ZINC000285077043 551701032 /nfs/dbraw/zinc/70/10/32/551701032.db2.gz PLWFJYGZEWZPCB-KRWDZBQOSA-N 1 2 362.495 2.031 20 30 FEEDLO Cc1cc(NC(=O)C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)no1 ZINC000285382416 551747138 /nfs/dbraw/zinc/74/71/38/551747138.db2.gz CSJMNANXZNQZIC-UHFFFAOYSA-N 1 2 358.373 2.476 20 30 FEEDLO COc1ccc([C@H](CNc2cc(C#N)ccn2)[NH+]2CCOCC2)cc1OC ZINC000286268678 551868006 /nfs/dbraw/zinc/86/80/06/551868006.db2.gz WHIXAYAWVAYCDY-KRWDZBQOSA-N 1 2 368.437 2.456 20 30 FEEDLO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN(c3ccc(C#N)cn3)C2)CC1 ZINC000286296537 551871140 /nfs/dbraw/zinc/87/11/40/551871140.db2.gz HDYCJAYTKVDGBX-INIZCTEOSA-N 1 2 357.458 2.085 20 30 FEEDLO C=CCOc1ccc(CNC(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)cc1 ZINC000286954092 551944354 /nfs/dbraw/zinc/94/43/54/551944354.db2.gz OOBVWGIVGDGODH-AEFFLSMTSA-N 1 2 359.470 2.256 20 30 FEEDLO C=CCOc1ccc(CNC(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)cc1 ZINC000286954098 551944408 /nfs/dbraw/zinc/94/44/08/551944408.db2.gz OOBVWGIVGDGODH-WMZOPIPTSA-N 1 2 359.470 2.256 20 30 FEEDLO N#Cc1ccc(N2CC[C@H](C(=O)NCCNc3cccc[nH+]3)C2)c(F)c1 ZINC000287085672 551961641 /nfs/dbraw/zinc/96/16/41/551961641.db2.gz MGZNSLGDUAKGRE-HNNXBMFYSA-N 1 2 353.401 2.147 20 30 FEEDLO N#Cc1cc(N2CCC[N@H+](Cc3cscn3)CC2)cc(N)c1[N+](=O)[O-] ZINC000287860282 552055892 /nfs/dbraw/zinc/05/58/92/552055892.db2.gz MCGQYIOTWGNTDO-UHFFFAOYSA-N 1 2 358.427 2.217 20 30 FEEDLO N#Cc1cc(N2CCC[N@@H+](Cc3cscn3)CC2)cc(N)c1[N+](=O)[O-] ZINC000287860282 552055894 /nfs/dbraw/zinc/05/58/94/552055894.db2.gz MCGQYIOTWGNTDO-UHFFFAOYSA-N 1 2 358.427 2.217 20 30 FEEDLO C#CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000288126543 552095754 /nfs/dbraw/zinc/09/57/54/552095754.db2.gz KJLPSYXFENHNMD-WOJBJXKFSA-N 1 2 355.482 2.127 20 30 FEEDLO C#C[C@@H](NC(=O)[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C)C(C)(C)C ZINC000288138284 552097908 /nfs/dbraw/zinc/09/79/08/552097908.db2.gz IVFQRWDABSUCIC-QGPMSJSTSA-N 1 2 356.470 2.026 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N[C@H](CC)c2ccccc2OCC)C1=O ZINC000500015318 561564139 /nfs/dbraw/zinc/56/41/39/561564139.db2.gz PDIVBCPYZRVITJ-MSOLQXFVSA-N 1 2 373.497 2.371 20 30 FEEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N[C@H](CC)c2ccccc2OCC)C1=O ZINC000500015318 561564140 /nfs/dbraw/zinc/56/41/40/561564140.db2.gz PDIVBCPYZRVITJ-MSOLQXFVSA-N 1 2 373.497 2.371 20 30 FEEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)Nc2ccc(N3CCCC3)cc2C)C1=O ZINC000500023786 561564259 /nfs/dbraw/zinc/56/42/59/561564259.db2.gz JHQFJOBGKRRQLV-LJQANCHMSA-N 1 2 370.497 2.252 20 30 FEEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccc(N3CCCC3)cc2C)C1=O ZINC000500023786 561564260 /nfs/dbraw/zinc/56/42/60/561564260.db2.gz JHQFJOBGKRRQLV-LJQANCHMSA-N 1 2 370.497 2.252 20 30 FEEDLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1CC(=O)Nc1ccccc1SCC#N ZINC000289653316 552356621 /nfs/dbraw/zinc/35/66/21/552356621.db2.gz DVYUUHJHLIFHOI-NVXWUHKLSA-N 1 2 374.510 2.036 20 30 FEEDLO C[C@@H]1[C@H](N2CCOCC2)CC[N@@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000289653316 552356623 /nfs/dbraw/zinc/35/66/23/552356623.db2.gz DVYUUHJHLIFHOI-NVXWUHKLSA-N 1 2 374.510 2.036 20 30 FEEDLO C[C@@H]1[C@H](N2CCOCC2)CC[N@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000289653316 552356624 /nfs/dbraw/zinc/35/66/24/552356624.db2.gz DVYUUHJHLIFHOI-NVXWUHKLSA-N 1 2 374.510 2.036 20 30 FEEDLO Cc1nsc(N2CCN(c3nc(C(C)C)[nH+]c(N(C)C)n3)CC2)c1C#N ZINC000290596716 552504444 /nfs/dbraw/zinc/50/44/44/552504444.db2.gz DMMKEGZHDJBMCN-UHFFFAOYSA-N 1 2 372.502 2.024 20 30 FEEDLO Cc1nsc(N2CCN(c3nc(N(C)C)nc(C(C)C)[nH+]3)CC2)c1C#N ZINC000290596716 552504448 /nfs/dbraw/zinc/50/44/48/552504448.db2.gz DMMKEGZHDJBMCN-UHFFFAOYSA-N 1 2 372.502 2.024 20 30 FEEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CC[C@](CO)(c3ccccc3)C2)C1=O ZINC000291604986 552642431 /nfs/dbraw/zinc/64/24/31/552642431.db2.gz CAUJXZSXRQRZPM-PXNSSMCTSA-N 1 2 367.474 2.361 20 30 FEEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CC[C@](CO)(c3ccccc3)C2)C1=O ZINC000291604986 552642433 /nfs/dbraw/zinc/64/24/33/552642433.db2.gz CAUJXZSXRQRZPM-PXNSSMCTSA-N 1 2 367.474 2.361 20 30 FEEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@H](CS(C)(=O)=O)C1 ZINC000292117438 552695470 /nfs/dbraw/zinc/69/54/70/552695470.db2.gz GIVHRUWCFVGPLO-GJZGRUSLSA-N 1 2 370.540 2.018 20 30 FEEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@H](CS(C)(=O)=O)C1 ZINC000292117438 552695471 /nfs/dbraw/zinc/69/54/71/552695471.db2.gz GIVHRUWCFVGPLO-GJZGRUSLSA-N 1 2 370.540 2.018 20 30 FEEDLO N#C[C@H]1CC[C@H]([NH+]2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)C1 ZINC000292952114 552774185 /nfs/dbraw/zinc/77/41/85/552774185.db2.gz BQMIOIJGKDZKHB-ZFWWWQNUSA-N 1 2 353.875 2.339 20 30 FEEDLO CC(C)[C@@H](CNC(=O)c1cnc(C(F)(F)F)c(C#N)c1)[NH+]1CCOCC1 ZINC000293191457 552797595 /nfs/dbraw/zinc/79/75/95/552797595.db2.gz WIZBTSREEVQEPG-CQSZACIVSA-N 1 2 370.375 2.059 20 30 FEEDLO N#CCCOCC[NH+]1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000293318182 552810923 /nfs/dbraw/zinc/81/09/23/552810923.db2.gz CEOOZVYMSBANLY-UHFFFAOYSA-N 1 2 373.478 2.076 20 30 FEEDLO COc1cc[nH+]cc1CNC(=O)CCC(=O)N(CCC#N)c1ccccc1 ZINC000294739048 552930866 /nfs/dbraw/zinc/93/08/66/552930866.db2.gz YAESHIZGLDXQHK-UHFFFAOYSA-N 1 2 366.421 2.433 20 30 FEEDLO Cc1nc(N2CCN(c3ncc(Br)cc3C#N)CC2)cc[nH+]1 ZINC000294899899 552942389 /nfs/dbraw/zinc/94/23/89/552942389.db2.gz GZOXAHPHYQYWRT-UHFFFAOYSA-N 1 2 359.231 2.141 20 30 FEEDLO CCn1cc[nH+]c1CNS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000295422190 553004434 /nfs/dbraw/zinc/00/44/34/553004434.db2.gz IOBJFUYSZRRGEM-UHFFFAOYSA-N 1 2 358.345 2.272 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)N[C@H](c1ccccc1)C(F)F ZINC000296782830 553210977 /nfs/dbraw/zinc/21/09/77/553210977.db2.gz OFPHRECYCVLBNZ-MRXNPFEDSA-N 1 2 366.412 2.250 20 30 FEEDLO C#CCOc1ccc(CNC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000297000602 553240692 /nfs/dbraw/zinc/24/06/92/553240692.db2.gz KFQWJCLYBFDKBW-UHFFFAOYSA-N 1 2 350.422 2.125 20 30 FEEDLO Cc1cc(NCCNC(=O)CNc2ccc(C#N)cc2)nc(C(C)C)[nH+]1 ZINC000600363853 553257134 /nfs/dbraw/zinc/25/71/34/553257134.db2.gz BVJQHQOUMSUDOX-UHFFFAOYSA-N 1 2 352.442 2.420 20 30 FEEDLO CC#CCN(C)C(=O)N[C@@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1 ZINC000297327782 553278889 /nfs/dbraw/zinc/27/88/89/553278889.db2.gz GKOJCRCDIMSZEM-QGZVFWFLSA-N 1 2 356.426 2.191 20 30 FEEDLO Cc1nc(NCc2cccc(C(=O)N3CCN(CCC#N)CC3)c2)cc[nH+]1 ZINC000602204746 553539833 /nfs/dbraw/zinc/53/98/33/553539833.db2.gz TWPBYOKHSIDHES-UHFFFAOYSA-N 1 2 364.453 2.069 20 30 FEEDLO COC1(c2ccccc2)C[NH+](C[C@@H](O)COc2ccc(CC#N)cc2)C1 ZINC000504680108 561661287 /nfs/dbraw/zinc/66/12/87/561661287.db2.gz IAWYVHDXLUQHDW-LJQANCHMSA-N 1 2 352.434 2.350 20 30 FEEDLO N#Cc1ccnc(NC[C@@H](c2ccccc2)[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000301628078 553667022 /nfs/dbraw/zinc/66/70/22/553667022.db2.gz HZICJIWMLFYOKT-INIZCTEOSA-N 1 2 353.382 2.347 20 30 FEEDLO Cc1cc([N@H+]2CCCC[C@@H]2C)ccc1Nc1c(C#N)c(=O)n(C)c(=O)n1C ZINC000301663539 553669673 /nfs/dbraw/zinc/66/96/73/553669673.db2.gz YSUYHEFQRNPBOE-AWEZNQCLSA-N 1 2 367.453 2.387 20 30 FEEDLO Cc1cc([N@@H+]2CCCC[C@@H]2C)ccc1Nc1c(C#N)c(=O)n(C)c(=O)n1C ZINC000301663539 553669676 /nfs/dbraw/zinc/66/96/76/553669676.db2.gz YSUYHEFQRNPBOE-AWEZNQCLSA-N 1 2 367.453 2.387 20 30 FEEDLO N#Cc1ccc(N2CC[NH+](Cc3ccc(Br)s3)CC2)nn1 ZINC000301845920 553685012 /nfs/dbraw/zinc/68/50/12/553685012.db2.gz TZXUGWNBUMQBIQ-UHFFFAOYSA-N 1 2 364.272 2.494 20 30 FEEDLO COc1ccccc1[C@H]1CN(C(=O)CNc2ccc(C#N)cc2)CC[NH2+]1 ZINC000505490548 561672183 /nfs/dbraw/zinc/67/21/83/561672183.db2.gz FBKHWFXWGDNYPZ-GOSISDBHSA-N 1 2 350.422 2.152 20 30 FEEDLO N#Cc1cccc(-c2cc(C(=O)N3CC[NH2+][C@@H](c4cccnc4)C3)on2)c1 ZINC000505492293 561672192 /nfs/dbraw/zinc/67/21/92/561672192.db2.gz YKCQADDAWQLBBS-GOSISDBHSA-N 1 2 359.389 2.395 20 30 FEEDLO O=C(N[C@@H]1CCCN(C2CCCCC2)C1=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000328607624 553795868 /nfs/dbraw/zinc/79/58/68/553795868.db2.gz LHPVUXDPFMGBAU-GOEBONIOSA-N 1 2 359.474 2.025 20 30 FEEDLO O=C(NC[C@@H]1CCCn2cc[nH+]c21)N[C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000328615227 553796918 /nfs/dbraw/zinc/79/69/18/553796918.db2.gz RORZYRYYAYHRTA-VBQJREDUSA-N 1 2 350.488 2.319 20 30 FEEDLO CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000505735898 561678819 /nfs/dbraw/zinc/67/88/19/561678819.db2.gz JJQUSRMERLONLU-IBGZPJMESA-N 1 2 361.442 2.185 20 30 FEEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N[C@@H](C)c1nnc3n1CCCC3)CCC2 ZINC000328663154 553804092 /nfs/dbraw/zinc/80/40/92/553804092.db2.gz XTMZIIZXABQSRS-KBPBESRZSA-N 1 2 357.462 2.262 20 30 FEEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)[C@@H]2CCCN(C(=O)NC3CCCC3)C2)C1 ZINC000328804292 553824425 /nfs/dbraw/zinc/82/44/25/553824425.db2.gz HGYLGKTUYRNYJT-HZPDHXFCSA-N 1 2 373.501 2.305 20 30 FEEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)N[C@@H]2CCO[C@@]3(CCSC3)C2)C1 ZINC000328878291 553837545 /nfs/dbraw/zinc/83/75/45/553837545.db2.gz UNWAHNDCEYHTAX-CPUCHLNUSA-N 1 2 350.488 2.178 20 30 FEEDLO C[C@H](NC(=O)CC1CCCCC1)C(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000328905853 553842719 /nfs/dbraw/zinc/84/27/19/553842719.db2.gz KIKOXJPFFAWCEE-XIRDDKMYSA-N 1 2 351.491 2.233 20 30 FEEDLO C[C@H](NC(=O)CC1CCCCC1)C(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000328905853 553842720 /nfs/dbraw/zinc/84/27/20/553842720.db2.gz KIKOXJPFFAWCEE-XIRDDKMYSA-N 1 2 351.491 2.233 20 30 FEEDLO CN1CCO[C@@H]2CC[N@H+](CC(=O)Nc3ccc(N4CCCCC4)nc3)C[C@@H]21 ZINC000328913267 553843892 /nfs/dbraw/zinc/84/38/92/553843892.db2.gz PKVANCBRVWREFY-ZWKOTPCHSA-N 1 2 373.501 2.065 20 30 FEEDLO CN1CCO[C@@H]2CC[N@@H+](CC(=O)Nc3ccc(N4CCCCC4)nc3)C[C@@H]21 ZINC000328913267 553843895 /nfs/dbraw/zinc/84/38/95/553843895.db2.gz PKVANCBRVWREFY-ZWKOTPCHSA-N 1 2 373.501 2.065 20 30 FEEDLO C[N@@H+]1CCO[C@@H]2CCN(CC(=O)Nc3ccc(N4CCCCC4)nc3)C[C@@H]21 ZINC000328913267 553843897 /nfs/dbraw/zinc/84/38/97/553843897.db2.gz PKVANCBRVWREFY-ZWKOTPCHSA-N 1 2 373.501 2.065 20 30 FEEDLO C[N@H+]1CCO[C@@H]2CCN(CC(=O)Nc3ccc(N4CCCCC4)nc3)C[C@@H]21 ZINC000328913267 553843899 /nfs/dbraw/zinc/84/38/99/553843899.db2.gz PKVANCBRVWREFY-ZWKOTPCHSA-N 1 2 373.501 2.065 20 30 FEEDLO CC(C)(C)[C@@H]1C[C@H](NC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)CCO1 ZINC000328939478 553848956 /nfs/dbraw/zinc/84/89/56/553848956.db2.gz KLQHKXJXQVDMAO-ZACQAIPSSA-N 1 2 353.507 2.291 20 30 FEEDLO N#Cc1cccc(F)c1CC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000506020847 561687588 /nfs/dbraw/zinc/68/75/88/561687588.db2.gz CUFNYVSYCSKIMC-FQEVSTJZSA-N 1 2 367.424 2.430 20 30 FEEDLO Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)N[C@@H]2CCO[C@H](C)C2)cc1 ZINC000329085119 553877446 /nfs/dbraw/zinc/87/74/46/553877446.db2.gz GEJVGFJVZDFERO-QRQLOZEOSA-N 1 2 361.486 2.439 20 30 FEEDLO O=C(C[N@@H+]1CCO[C@@]2(CCCOC2)C1)NCCc1c(F)cccc1F ZINC000329087887 553877977 /nfs/dbraw/zinc/87/79/77/553877977.db2.gz VMXUBEKTLNZYPS-SFHVURJKSA-N 1 2 354.397 2.345 20 30 FEEDLO O=C(C[N@H+]1CCO[C@@]2(CCCOC2)C1)NCCc1c(F)cccc1F ZINC000329087887 553877978 /nfs/dbraw/zinc/87/79/78/553877978.db2.gz VMXUBEKTLNZYPS-SFHVURJKSA-N 1 2 354.397 2.345 20 30 FEEDLO CCC[N@H+](CC(=O)N[C@@H]1CCOc2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000329127829 553885321 /nfs/dbraw/zinc/88/53/21/553885321.db2.gz UZYXHUVEYRXAHQ-GDBMZVCRSA-N 1 2 366.483 2.366 20 30 FEEDLO CCC[N@@H+](CC(=O)N[C@@H]1CCOc2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000329127829 553885324 /nfs/dbraw/zinc/88/53/24/553885324.db2.gz UZYXHUVEYRXAHQ-GDBMZVCRSA-N 1 2 366.483 2.366 20 30 FEEDLO C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[N@@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000329157020 553891794 /nfs/dbraw/zinc/89/17/94/553891794.db2.gz CZTPUROBWDNUDM-CQJJVWNLSA-N 1 2 354.447 2.351 20 30 FEEDLO C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[N@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000329157020 553891797 /nfs/dbraw/zinc/89/17/97/553891797.db2.gz CZTPUROBWDNUDM-CQJJVWNLSA-N 1 2 354.447 2.351 20 30 FEEDLO C[C@H](C(=O)N[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C)n1cccn1 ZINC000329173461 553895189 /nfs/dbraw/zinc/89/51/89/553895189.db2.gz KUDUZZCOAIYQJA-SUYBPPKGSA-N 1 2 356.430 2.029 20 30 FEEDLO O=C(Nc1ccc(F)cc1)N[C@@H]1CCN(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000329215967 553904291 /nfs/dbraw/zinc/90/42/91/553904291.db2.gz NQTSQJMPEYMNSV-KURKYZTESA-N 1 2 362.449 2.089 20 30 FEEDLO O=C(Nc1ccc(F)cc1)N[C@@H]1CCN(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000329215967 553904292 /nfs/dbraw/zinc/90/42/92/553904292.db2.gz NQTSQJMPEYMNSV-KURKYZTESA-N 1 2 362.449 2.089 20 30 FEEDLO COC1(C)CCN(C(=O)N[C@H](c2[nH+]ccn2C)C2CCOCC2)CC1 ZINC000329236831 553908198 /nfs/dbraw/zinc/90/81/98/553908198.db2.gz OOYAMRRTJCAFPT-HNNXBMFYSA-N 1 2 350.463 2.303 20 30 FEEDLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000329306075 553922017 /nfs/dbraw/zinc/92/20/17/553922017.db2.gz XTUSRZGKFKNSDP-IAGOWNOFSA-N 1 2 353.426 2.396 20 30 FEEDLO Cc1cn2cc(NC(=O)N3CCN(c4nc(C)cc(C)n4)CC3)ccc2[nH+]1 ZINC000329339659 553928042 /nfs/dbraw/zinc/92/80/42/553928042.db2.gz RDTJKDMVLMFUCQ-UHFFFAOYSA-N 1 2 365.441 2.417 20 30 FEEDLO Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNC(=O)C1(C(=O)N(C)C)CC1 ZINC000329342890 553928886 /nfs/dbraw/zinc/92/88/86/553928886.db2.gz PTKDYTQJFXYCFZ-KBPBESRZSA-N 1 2 366.437 2.029 20 30 FEEDLO Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNC(=O)C1(C(=O)N(C)C)CC1 ZINC000329342890 553928888 /nfs/dbraw/zinc/92/88/88/553928888.db2.gz PTKDYTQJFXYCFZ-KBPBESRZSA-N 1 2 366.437 2.029 20 30 FEEDLO Cc1cc(NC(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)nn1C ZINC000329348626 553929432 /nfs/dbraw/zinc/92/94/32/553929432.db2.gz CUGMBHFBQOQOQK-GASCZTMLSA-N 1 2 357.458 2.995 20 30 FEEDLO Cc1cc(NC(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)nn1C ZINC000329348626 553929434 /nfs/dbraw/zinc/92/94/34/553929434.db2.gz CUGMBHFBQOQOQK-GASCZTMLSA-N 1 2 357.458 2.995 20 30 FEEDLO CC[C@@H]1CN(C(=O)Nc2cccc3c2OCCC3=O)C[C@@H]1[NH+]1CCOCC1 ZINC000329355579 553930899 /nfs/dbraw/zinc/93/08/99/553930899.db2.gz VUHRNGMWACADDK-PBHICJAKSA-N 1 2 373.453 2.240 20 30 FEEDLO Cn1c[nH+]cc1[C@H]1[C@H](NC(=O)N2CCC(C)(C)C2)CCC(=O)N1C1CC1 ZINC000329355212 553930935 /nfs/dbraw/zinc/93/09/35/553930935.db2.gz VQOTUOUEWXKYQO-RHSMWYFYSA-N 1 2 359.474 2.261 20 30 FEEDLO CC1CCC(NC(=O)CN2CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)CC1 ZINC000329411414 553941179 /nfs/dbraw/zinc/94/11/79/553941179.db2.gz DFEZBHRDTQHCCY-UHFFFAOYSA-N 1 2 361.490 2.022 20 30 FEEDLO C[C@@H]1CN(C(=O)N[C@H](c2[nH+]ccn2C)C2CCOCC2)CC(C)(C)O1 ZINC000329485541 553955905 /nfs/dbraw/zinc/95/59/05/553955905.db2.gz QSZXZFLRJGFDQA-HIFRSBDPSA-N 1 2 350.463 2.301 20 30 FEEDLO Cc1ncc(C[NH+]2CCN(C(=O)N[C@H](C)[C@@H]3CCCOC3)CC2)s1 ZINC000329510245 553960146 /nfs/dbraw/zinc/96/01/46/553960146.db2.gz MPAPQONJKNDNLK-UKRRQHHQSA-N 1 2 352.504 2.298 20 30 FEEDLO Cn1cnc2c(c1=O)CC[N@H+](CC(=O)NC13CC4CC(CC(C4)C1)C3)C2 ZINC000329676242 553986593 /nfs/dbraw/zinc/98/65/93/553986593.db2.gz WBJZYLSVZZTKEW-UHFFFAOYSA-N 1 2 356.470 2.064 20 30 FEEDLO Cn1cnc2c(c1=O)CC[N@@H+](CC(=O)NC13CC4CC(CC(C4)C1)C3)C2 ZINC000329676242 553986597 /nfs/dbraw/zinc/98/65/97/553986597.db2.gz WBJZYLSVZZTKEW-UHFFFAOYSA-N 1 2 356.470 2.064 20 30 FEEDLO N#Cc1ncccc1N1CC[NH+](CC(=O)N2CCCc3ccccc32)CC1 ZINC000329722889 553995287 /nfs/dbraw/zinc/99/52/87/553995287.db2.gz NNUCZVLOIBWPJF-UHFFFAOYSA-N 1 2 361.449 2.055 20 30 FEEDLO Cc1cc(CCNC(=O)N2CCN(C)[C@H](c3[nH+]ccn3C)C2)cc(C)c1O ZINC000329824695 554012922 /nfs/dbraw/zinc/01/29/22/554012922.db2.gz HXDAUVGYHJDPQL-KRWDZBQOSA-N 1 2 371.485 2.188 20 30 FEEDLO COCC(=O)N1CCc2c1cccc2NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000329835337 554015147 /nfs/dbraw/zinc/01/51/47/554015147.db2.gz LKMGNWNWUJXVFD-CYBMUJFWSA-N 1 2 354.410 2.269 20 30 FEEDLO CS(=O)(=O)N1CCc2c1cccc2NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000329860625 554020977 /nfs/dbraw/zinc/02/09/77/554020977.db2.gz XMRSCGOFUCGMPL-GFCCVEGCSA-N 1 2 360.439 2.056 20 30 FEEDLO CCO[C@@H]1C[C@H](NC(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)C12CCOCC2 ZINC000329894523 554026282 /nfs/dbraw/zinc/02/62/82/554026282.db2.gz BIKHJKXBOJLRAO-OWCLPIDISA-N 1 2 362.474 2.098 20 30 FEEDLO CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1)C(=O)N[C@@H]1CC[S@@](=O)C1 ZINC000329978074 554043004 /nfs/dbraw/zinc/04/30/04/554043004.db2.gz GWHCDVRBZZEOLM-YMRPFOLLSA-N 1 2 373.519 2.027 20 30 FEEDLO CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1)C(=O)N[C@@H]1CC[S@@](=O)C1 ZINC000329978074 554043007 /nfs/dbraw/zinc/04/30/07/554043007.db2.gz GWHCDVRBZZEOLM-YMRPFOLLSA-N 1 2 373.519 2.027 20 30 FEEDLO O=C(Cc1ccc2n[nH]cc2c1)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000330030602 554052153 /nfs/dbraw/zinc/05/21/53/554052153.db2.gz RXGUFSMIHCKWOF-SFHVURJKSA-N 1 2 360.483 2.270 20 30 FEEDLO Cn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cn1 ZINC000330052712 554055739 /nfs/dbraw/zinc/05/57/39/554055739.db2.gz PMKKJNNYTSIZQQ-BJJXKVORSA-N 1 2 371.445 2.097 20 30 FEEDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1cn([C@@H]2CCOC2)nn1 ZINC000330058116 554056546 /nfs/dbraw/zinc/05/65/46/554056546.db2.gz YMVZQHSULXDLAY-MRXNPFEDSA-N 1 2 371.441 2.016 20 30 FEEDLO Cc1nc(N2CCC(NC(=O)NC3CCCCC3)CC2)nc(N(C)C)[nH+]1 ZINC000330177665 554078817 /nfs/dbraw/zinc/07/88/17/554078817.db2.gz DCWDLYJGTLFHKX-UHFFFAOYSA-N 1 2 361.494 2.051 20 30 FEEDLO Cc1nc(N(C)C)nc(N2CCC(NC(=O)NC3CCCCC3)CC2)[nH+]1 ZINC000330177665 554078820 /nfs/dbraw/zinc/07/88/20/554078820.db2.gz DCWDLYJGTLFHKX-UHFFFAOYSA-N 1 2 361.494 2.051 20 30 FEEDLO Cc1nc2ccnn2c(C)c1C(=O)N[C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000330339765 554107750 /nfs/dbraw/zinc/10/77/50/554107750.db2.gz XBYFKIPVVFCIFB-UKRRQHHQSA-N 1 2 354.414 2.305 20 30 FEEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)CCO1 ZINC000330341645 554108423 /nfs/dbraw/zinc/10/84/23/554108423.db2.gz ZNMUPFSRFSCIQD-LOWVWBTDSA-N 1 2 374.363 2.008 20 30 FEEDLO CCN1CCN(C(=O)Nc2cccc([S@@](C)=O)c2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000330345492 554108855 /nfs/dbraw/zinc/10/88/55/554108855.db2.gz FFUUENOFRNKOLM-SGANQWHYSA-N 1 2 361.471 2.071 20 30 FEEDLO COCc1csc(NC(=O)N[C@@H]2CCO[C@H](c3c[nH+]cn3C)C2)n1 ZINC000330361323 554111639 /nfs/dbraw/zinc/11/16/39/554111639.db2.gz YEAYCRHRKHJODU-MFKMUULPSA-N 1 2 351.432 2.269 20 30 FEEDLO COc1cc(C(=O)NC[C@@H]2C[N@H+](C)CCO2)cc(Br)c1OC ZINC000330467704 554125643 /nfs/dbraw/zinc/12/56/43/554125643.db2.gz JMGIZGRRYTZDED-LLVKDONJSA-N 1 2 373.247 2.102 20 30 FEEDLO COc1cc(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)cc(Br)c1OC ZINC000330467704 554125645 /nfs/dbraw/zinc/12/56/45/554125645.db2.gz JMGIZGRRYTZDED-LLVKDONJSA-N 1 2 373.247 2.102 20 30 FEEDLO CSc1nc(C(C)(C)C)nc(C)c1C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000331006379 554199896 /nfs/dbraw/zinc/19/98/96/554199896.db2.gz ZLVFMKDTTSGFOB-GFCCVEGCSA-N 1 2 352.504 2.440 20 30 FEEDLO CSc1nc(C(C)(C)C)nc(C)c1C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000331006379 554199897 /nfs/dbraw/zinc/19/98/97/554199897.db2.gz ZLVFMKDTTSGFOB-GFCCVEGCSA-N 1 2 352.504 2.440 20 30 FEEDLO Cc1cc(S(=O)(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1C#N ZINC000331311187 554245559 /nfs/dbraw/zinc/24/55/59/554245559.db2.gz ZGZXKPNUTUOANA-GASCZTMLSA-N 1 2 365.499 2.033 20 30 FEEDLO Cc1cc(S(=O)(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1C#N ZINC000331311187 554245561 /nfs/dbraw/zinc/24/55/61/554245561.db2.gz ZGZXKPNUTUOANA-GASCZTMLSA-N 1 2 365.499 2.033 20 30 FEEDLO CC(C)C(C)(C)CNC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000331321487 554246792 /nfs/dbraw/zinc/24/67/92/554246792.db2.gz KDZUHYKVIAAKOH-UHFFFAOYSA-N 1 2 361.490 2.477 20 30 FEEDLO C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1C)[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000332070597 554373660 /nfs/dbraw/zinc/37/36/60/554373660.db2.gz VHGODWWDYWATAF-SOLBZPMBSA-N 1 2 355.486 2.159 20 30 FEEDLO Cc1nc(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)[nH+]c2)ccc1C#N ZINC000332087638 554377767 /nfs/dbraw/zinc/37/77/67/554377767.db2.gz SOBXIPNGDIESQR-KBPBESRZSA-N 1 2 365.437 2.200 20 30 FEEDLO Cc1cc(C)n([C@@H](C)C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000332252966 554410380 /nfs/dbraw/zinc/41/03/80/554410380.db2.gz DHTBNXBFQATMRQ-KRWDZBQOSA-N 1 2 351.454 2.277 20 30 FEEDLO CCC1(CC)CCCN(C(=O)C(=O)N2CCC(C#N)([NH+](C)C)CC2)CC1 ZINC000332332943 554427179 /nfs/dbraw/zinc/42/71/79/554427179.db2.gz OHQSFMWAMISGOP-UHFFFAOYSA-N 1 2 362.518 2.252 20 30 FEEDLO N#Cc1ccc(N2CCC[C@@H](NC(=O)[C@H]3CCn4c[nH+]cc4C3)C2)c(F)c1 ZINC000332769690 554511894 /nfs/dbraw/zinc/51/18/94/554511894.db2.gz LAHFZIWURYUHJI-JKSUJKDBSA-N 1 2 367.428 2.241 20 30 FEEDLO C=C(C)C(C)(C)c1nc(-c2ccc(C(=O)N3CC[NH+](C)CC3)nc2)no1 ZINC000351362823 554852935 /nfs/dbraw/zinc/85/29/35/554852935.db2.gz VZGXOGUUEPIRRN-UHFFFAOYSA-N 1 2 355.442 2.373 20 30 FEEDLO Cc1nc([C@@H]2CCC[N@@H+]([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)no1 ZINC000360254739 554868868 /nfs/dbraw/zinc/86/88/68/554868868.db2.gz RBUDWOUWWAWOLD-NVXWUHKLSA-N 1 2 351.410 2.235 20 30 FEEDLO Cc1nc([C@@H]2CCC[N@H+]([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)no1 ZINC000360254739 554868869 /nfs/dbraw/zinc/86/88/69/554868869.db2.gz RBUDWOUWWAWOLD-NVXWUHKLSA-N 1 2 351.410 2.235 20 30 FEEDLO CC[N@@H+](CC(=O)N1CCC(C(=O)N2CCCCCC2)CC1)C[C@H](C)C#N ZINC000360292309 554869970 /nfs/dbraw/zinc/86/99/70/554869970.db2.gz PXFUVYBXWTXAGK-QGZVFWFLSA-N 1 2 362.518 2.109 20 30 FEEDLO CC[N@H+](CC(=O)N1CCC(C(=O)N2CCCCCC2)CC1)C[C@H](C)C#N ZINC000360292309 554869971 /nfs/dbraw/zinc/86/99/71/554869971.db2.gz PXFUVYBXWTXAGK-QGZVFWFLSA-N 1 2 362.518 2.109 20 30 FEEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1nn2c(nc(C)cc2=O)s1 ZINC000512203561 561895963 /nfs/dbraw/zinc/89/59/63/561895963.db2.gz PLIIUPFJEBKSOE-UHFFFAOYSA-N 1 2 360.439 2.123 20 30 FEEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1nn2c(nc(C)cc2=O)s1 ZINC000512203561 561895964 /nfs/dbraw/zinc/89/59/64/561895964.db2.gz PLIIUPFJEBKSOE-UHFFFAOYSA-N 1 2 360.439 2.123 20 30 FEEDLO CN(C(=O)C[N@@H+]1CCCN(C(=O)c2ccco2)CC1)C1(C#N)CCCCC1 ZINC000364551580 555335730 /nfs/dbraw/zinc/33/57/30/555335730.db2.gz WNJBCMYXDAOLRY-UHFFFAOYSA-N 1 2 372.469 2.112 20 30 FEEDLO CN(C(=O)C[N@H+]1CCCN(C(=O)c2ccco2)CC1)C1(C#N)CCCCC1 ZINC000364551580 555335733 /nfs/dbraw/zinc/33/57/33/555335733.db2.gz WNJBCMYXDAOLRY-UHFFFAOYSA-N 1 2 372.469 2.112 20 30 FEEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1C[C@H](C)[S@](=O)[C@@H](CC)C1 ZINC000512438160 561904939 /nfs/dbraw/zinc/90/49/39/561904939.db2.gz APJMYLMBKHSUPD-DAKPEJIASA-N 1 2 351.512 2.386 20 30 FEEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1C[C@H](C)[S@](=O)[C@@H](CC)C1 ZINC000512438160 561904940 /nfs/dbraw/zinc/90/49/40/561904940.db2.gz APJMYLMBKHSUPD-DAKPEJIASA-N 1 2 351.512 2.386 20 30 FEEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(Oc2cnccn2)CC1 ZINC000365847697 555682567 /nfs/dbraw/zinc/68/25/67/555682567.db2.gz MJUFZFJLIZTJLR-CQSZACIVSA-N 1 2 351.410 2.219 20 30 FEEDLO C=C(C)[C@H]1OCCC[C@H]1C(=O)N1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000365926672 555702913 /nfs/dbraw/zinc/70/29/13/555702913.db2.gz LXNIYDGBLMOTSD-JFIYKMOQSA-N 1 2 359.470 2.499 20 30 FEEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000366562129 555876609 /nfs/dbraw/zinc/87/66/09/555876609.db2.gz AFUGUKLZUDMPMR-INIZCTEOSA-N 1 2 358.442 2.330 20 30 FEEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000366562129 555876610 /nfs/dbraw/zinc/87/66/10/555876610.db2.gz AFUGUKLZUDMPMR-INIZCTEOSA-N 1 2 358.442 2.330 20 30 FEEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CCC[C@@H](Oc2ccc(Cl)cn2)C1)C1CC1 ZINC000366642967 555897652 /nfs/dbraw/zinc/89/76/52/555897652.db2.gz PJFOCYXAEKGISZ-CRAIPNDOSA-N 1 2 362.861 2.387 20 30 FEEDLO C[C@](C#N)(NC(=O)C[N@H+]1CCC[C@@H](Oc2ccc(Cl)cn2)C1)C1CC1 ZINC000366642967 555897656 /nfs/dbraw/zinc/89/76/56/555897656.db2.gz PJFOCYXAEKGISZ-CRAIPNDOSA-N 1 2 362.861 2.387 20 30 FEEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)N2CCC[C@@H]2c2ccc(OC)cc2)C1=O ZINC000366916698 555968904 /nfs/dbraw/zinc/96/89/04/555968904.db2.gz XUHVVFPLMJGWFT-RTBURBONSA-N 1 2 371.481 2.077 20 30 FEEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)N2CCC[C@@H]2c2ccc(OC)cc2)C1=O ZINC000366916698 555968907 /nfs/dbraw/zinc/96/89/07/555968907.db2.gz XUHVVFPLMJGWFT-RTBURBONSA-N 1 2 371.481 2.077 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N2CCC[C@H]2c2ccc(OC)cc2)C1=O ZINC000366916696 555969468 /nfs/dbraw/zinc/96/94/68/555969468.db2.gz XUHVVFPLMJGWFT-OALUTQOASA-N 1 2 371.481 2.077 20 30 FEEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N2CCC[C@H]2c2ccc(OC)cc2)C1=O ZINC000366916696 555969473 /nfs/dbraw/zinc/96/94/73/555969473.db2.gz XUHVVFPLMJGWFT-OALUTQOASA-N 1 2 371.481 2.077 20 30 FEEDLO C[C@@H]([C@H]1Cc2ccccc2O1)[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000367298233 556011934 /nfs/dbraw/zinc/01/19/34/556011934.db2.gz BRKYPMZMINIEIQ-KBXCAEBGSA-N 1 2 371.462 2.051 20 30 FEEDLO C[C@@H]([C@H]1Cc2ccccc2O1)[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000367298233 556011938 /nfs/dbraw/zinc/01/19/38/556011938.db2.gz BRKYPMZMINIEIQ-KBXCAEBGSA-N 1 2 371.462 2.051 20 30 FEEDLO N#CCc1ccc(CS(=O)(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000514933906 561987697 /nfs/dbraw/zinc/98/76/97/561987697.db2.gz CZIAMFQZPIPHHJ-GOSISDBHSA-N 1 2 357.435 2.131 20 30 FEEDLO N#Cc1ccc(OC2CN(C(=O)NC[C@H]3CCCn4cc[nH+]c43)C2)cc1 ZINC000368139229 556227822 /nfs/dbraw/zinc/22/78/22/556227822.db2.gz OHMJZJCHOJNDGH-OAHLLOKOSA-N 1 2 351.410 2.105 20 30 FEEDLO COc1ccc(C(=O)N2CC[NH+]([C@H]3CC[C@H](C#N)C3)CC2)c(OC)c1OC ZINC000515314822 562004811 /nfs/dbraw/zinc/00/48/11/562004811.db2.gz PTJYXDNUDVWRPV-GJZGRUSLSA-N 1 2 373.453 2.162 20 30 FEEDLO Cc1oc(NC(=O)[C@H](C)[NH+]2CCC(NC(=O)C3CCC3)CC2)c(C#N)c1C ZINC000368923272 556449313 /nfs/dbraw/zinc/44/93/13/556449313.db2.gz VGUKNSBHFTVFGA-ZDUSSCGKSA-N 1 2 372.469 2.476 20 30 FEEDLO C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(NC(=O)C2CCC2)CC1 ZINC000368923305 556449359 /nfs/dbraw/zinc/44/93/59/556449359.db2.gz WGYFMSNKHNXNCX-CQSZACIVSA-N 1 2 354.454 2.266 20 30 FEEDLO Cc1ncccc1O[C@@H]1CC[N@H+](CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000368982770 556467425 /nfs/dbraw/zinc/46/74/25/556467425.db2.gz KZYDIIJBJAPKTP-QGZVFWFLSA-N 1 2 371.462 2.189 20 30 FEEDLO Cc1ncccc1O[C@@H]1CC[N@@H+](CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000368982770 556467430 /nfs/dbraw/zinc/46/74/30/556467430.db2.gz KZYDIIJBJAPKTP-QGZVFWFLSA-N 1 2 371.462 2.189 20 30 FEEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369015167 556476314 /nfs/dbraw/zinc/47/63/14/556476314.db2.gz AETRCOAZQQEETL-HUUCEWRRSA-N 1 2 374.445 2.159 20 30 FEEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369015167 556476315 /nfs/dbraw/zinc/47/63/15/556476315.db2.gz AETRCOAZQQEETL-HUUCEWRRSA-N 1 2 374.445 2.159 20 30 FEEDLO CCn1nccc1C1CC[NH+](CCS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000369295419 556567051 /nfs/dbraw/zinc/56/70/51/556567051.db2.gz WETMERKIJFERLE-UHFFFAOYSA-N 1 2 372.494 2.428 20 30 FEEDLO CCc1nc(C[NH+]2C[C@@H]3CN(c4ccc(Cl)c(C#N)n4)C[C@H]3C2)no1 ZINC000370090544 556778008 /nfs/dbraw/zinc/77/80/08/556778008.db2.gz RNWPSOPKNMFDJY-VXGBXAGGSA-N 1 2 358.833 2.120 20 30 FEEDLO N#CCSc1cccc(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)c1 ZINC000370219764 556814321 /nfs/dbraw/zinc/81/43/21/556814321.db2.gz MWQYBJUOECGCJD-UHFFFAOYSA-N 1 2 371.466 2.083 20 30 FEEDLO C=CCN1C(=O)N([C@@H]2CCn3cc[nH+]c3C2)C(=O)[C@H]1Cc1ccccc1 ZINC000516860388 562060999 /nfs/dbraw/zinc/06/09/99/562060999.db2.gz CZAUUBGVPUYHFM-IAGOWNOFSA-N 1 2 350.422 2.259 20 30 FEEDLO Cc1[nH+]c2n(c1CN1CCN(C(=O)NCC3(CC#N)CC3)CC1)CCCC2 ZINC000370696312 556942958 /nfs/dbraw/zinc/94/29/58/556942958.db2.gz BKMCPDYODBKPEN-UHFFFAOYSA-N 1 2 370.501 2.049 20 30 FEEDLO Cc1ccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)cc1NC(=O)c1ccco1 ZINC000518038634 562103049 /nfs/dbraw/zinc/10/30/49/562103049.db2.gz CPNNYPBNMJGOIH-LJQANCHMSA-N 1 2 354.410 2.414 20 30 FEEDLO N#Cc1ccc(NC2CCN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)CC2)nc1 ZINC000372114248 557383074 /nfs/dbraw/zinc/38/30/74/557383074.db2.gz ZXGIGTMEBXYARF-UHFFFAOYSA-N 1 2 372.432 2.856 20 30 FEEDLO C[N@H+](Cc1ncccn1)[C@H]1CCN(c2cc(C(F)(F)F)cnc2C#N)C1 ZINC000518931711 562121314 /nfs/dbraw/zinc/12/13/14/562121314.db2.gz SRCFEHGDRVQSSF-ZDUSSCGKSA-N 1 2 362.359 2.473 20 30 FEEDLO C[N@@H+](Cc1ncccn1)[C@H]1CCN(c2cc(C(F)(F)F)cnc2C#N)C1 ZINC000518931711 562121315 /nfs/dbraw/zinc/12/13/15/562121315.db2.gz SRCFEHGDRVQSSF-ZDUSSCGKSA-N 1 2 362.359 2.473 20 30 FEEDLO CCCCCCCC(=O)N1C[C@@H](O)[C@H]([N@H+](CC)Cc2nnc(C)o2)C1 ZINC000372579319 557511550 /nfs/dbraw/zinc/51/15/50/557511550.db2.gz WMVRYYSBIUDXIH-HZPDHXFCSA-N 1 2 352.479 2.132 20 30 FEEDLO CCCCCCCC(=O)N1C[C@@H](O)[C@H]([N@@H+](CC)Cc2nnc(C)o2)C1 ZINC000372579319 557511553 /nfs/dbraw/zinc/51/15/53/557511553.db2.gz WMVRYYSBIUDXIH-HZPDHXFCSA-N 1 2 352.479 2.132 20 30 FEEDLO O=C(Nc1cccc(C#Cc2ccccc2)c1)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000520075297 562148964 /nfs/dbraw/zinc/14/89/64/562148964.db2.gz WKTIPMVHZYJJCY-UHFFFAOYSA-N 1 2 373.456 2.332 20 30 FEEDLO Cc1cc(NC(=O)c2ccnc(-n3cc[nH+]c3)c2)nn1-c1cccc(C#N)c1 ZINC000373598785 557726412 /nfs/dbraw/zinc/72/64/12/557726412.db2.gz VMPZCGQIEIHAHL-UHFFFAOYSA-N 1 2 369.388 2.885 20 30 FEEDLO C=C(C)CN(CC)C(=O)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(OC)cc1 ZINC000520435252 562156465 /nfs/dbraw/zinc/15/64/65/562156465.db2.gz ZCBPKIRMBPAFQB-QGZVFWFLSA-N 1 2 370.453 2.059 20 30 FEEDLO CN(C(=O)C[N@@H+]1CC(C)(C)O[C@]2(CCCOC2)C1)C1(C#N)CCCCC1 ZINC000373794743 557760497 /nfs/dbraw/zinc/76/04/97/557760497.db2.gz AOSHVNCELAKHSC-HXUWFJFHSA-N 1 2 363.502 2.331 20 30 FEEDLO CN(C(=O)C[N@H+]1CC(C)(C)O[C@]2(CCCOC2)C1)C1(C#N)CCCCC1 ZINC000373794743 557760498 /nfs/dbraw/zinc/76/04/98/557760498.db2.gz AOSHVNCELAKHSC-HXUWFJFHSA-N 1 2 363.502 2.331 20 30 FEEDLO C=CCOc1cccc(NC(=O)C(=O)N(C)Cc2cn3c([nH+]2)CCCC3)c1 ZINC000373796752 557760828 /nfs/dbraw/zinc/76/08/28/557760828.db2.gz XATFSQPHKBDOOX-UHFFFAOYSA-N 1 2 368.437 2.381 20 30 FEEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC(C)(C)O[C@]2(CCCOC2)C1 ZINC000373797039 557760977 /nfs/dbraw/zinc/76/09/77/557760977.db2.gz MJFHVMDWIIBDPV-OXJNMPFZSA-N 1 2 363.502 2.378 20 30 FEEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC(C)(C)O[C@]2(CCCOC2)C1 ZINC000373797039 557760980 /nfs/dbraw/zinc/76/09/80/557760980.db2.gz MJFHVMDWIIBDPV-OXJNMPFZSA-N 1 2 363.502 2.378 20 30 FEEDLO C[C@H]1C[N@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@]2(CCCOC2)O1 ZINC000373811438 557764288 /nfs/dbraw/zinc/76/42/88/557764288.db2.gz MCZZYISQJAZFCU-UGSOOPFHSA-N 1 2 363.845 2.420 20 30 FEEDLO C[C@H]1C[N@@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@]2(CCCOC2)O1 ZINC000373811438 557764290 /nfs/dbraw/zinc/76/42/90/557764290.db2.gz MCZZYISQJAZFCU-UGSOOPFHSA-N 1 2 363.845 2.420 20 30 FEEDLO N#Cc1ccc(CNC(=O)N2CCC[N@H+](Cc3cscn3)CC2)s1 ZINC000520561095 562158986 /nfs/dbraw/zinc/15/89/86/562158986.db2.gz UWPULVIOFSQOHP-UHFFFAOYSA-N 1 2 361.496 2.494 20 30 FEEDLO N#Cc1ccc(CNC(=O)N2CCC[N@@H+](Cc3cscn3)CC2)s1 ZINC000520561095 562158987 /nfs/dbraw/zinc/15/89/87/562158987.db2.gz UWPULVIOFSQOHP-UHFFFAOYSA-N 1 2 361.496 2.494 20 30 FEEDLO C[C@@H]1C[C@]2(CCO1)C[N@H+]([C@@H]1CCN(c3ccc(C#N)cc3)C1=O)C[C@H](C)O2 ZINC000374018173 557808781 /nfs/dbraw/zinc/80/87/81/557808781.db2.gz NEOJINSJPHCZLS-NNNWTRQLSA-N 1 2 369.465 2.322 20 30 FEEDLO C[C@@H]1C[C@]2(CCO1)C[N@@H+]([C@@H]1CCN(c3ccc(C#N)cc3)C1=O)C[C@H](C)O2 ZINC000374018173 557808782 /nfs/dbraw/zinc/80/87/82/557808782.db2.gz NEOJINSJPHCZLS-NNNWTRQLSA-N 1 2 369.465 2.322 20 30 FEEDLO C[C@H](c1nc(-c2cccnc2)no1)[NH+]1CCN(c2ccc(C#N)nc2)CC1 ZINC000374622637 557908101 /nfs/dbraw/zinc/90/81/01/557908101.db2.gz TWWFJSJBUPVMPS-CQSZACIVSA-N 1 2 361.409 2.281 20 30 FEEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCCC[C@@H]1Cn1ccnn1 ZINC000374982757 557959404 /nfs/dbraw/zinc/95/94/04/557959404.db2.gz BOYXZTUYCOOSLM-OAHLLOKOSA-N 1 2 358.833 2.296 20 30 FEEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCCC[C@@H]1Cn1ccnn1 ZINC000374982757 557959405 /nfs/dbraw/zinc/95/94/05/557959405.db2.gz BOYXZTUYCOOSLM-OAHLLOKOSA-N 1 2 358.833 2.296 20 30 FEEDLO C=C[C@@](C)(CCOC)C(=O)N1CCC[C@H]([N@H+](C)Cc2noc(C)n2)CC1 ZINC000375345740 558013102 /nfs/dbraw/zinc/01/31/02/558013102.db2.gz RBRKGNHSIVAUGY-LPHOPBHVSA-N 1 2 364.490 2.420 20 30 FEEDLO C=C[C@@](C)(CCOC)C(=O)N1CCC[C@H]([N@@H+](C)Cc2noc(C)n2)CC1 ZINC000375345740 558013103 /nfs/dbraw/zinc/01/31/03/558013103.db2.gz RBRKGNHSIVAUGY-LPHOPBHVSA-N 1 2 364.490 2.420 20 30 FEEDLO Cc1ncccc1O[C@@H]1CC[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000375983310 558109644 /nfs/dbraw/zinc/10/96/44/558109644.db2.gz CKFFTPBLBTWDNO-QGZVFWFLSA-N 1 2 371.462 2.189 20 30 FEEDLO Cc1ncccc1O[C@@H]1CC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000375983310 558109645 /nfs/dbraw/zinc/10/96/45/558109645.db2.gz CKFFTPBLBTWDNO-QGZVFWFLSA-N 1 2 371.462 2.189 20 30 FEEDLO Cc1nsc(N2CCN(Cc3c(C)[nH+]c4n3CCCC4)CC2)c1C#N ZINC000376455051 558175655 /nfs/dbraw/zinc/17/56/55/558175655.db2.gz OLTHQSHHAFHJDB-UHFFFAOYSA-N 1 2 356.499 2.487 20 30 FEEDLO N#Cc1cnc2ccccc2c1NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cncnc1 ZINC000376488871 558179970 /nfs/dbraw/zinc/17/99/70/558179970.db2.gz SUVCIRBDGHCETN-IRXDYDNUSA-N 1 2 362.412 2.343 20 30 FEEDLO N#Cc1cnc2ccccc2c1NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cncnc1 ZINC000376488871 558179971 /nfs/dbraw/zinc/17/99/71/558179971.db2.gz SUVCIRBDGHCETN-IRXDYDNUSA-N 1 2 362.412 2.343 20 30 FEEDLO Cc1nc(C[N@@H+](C)[C@H]2CCCN(c3nnc(C)c(C)c3C#N)CC2)no1 ZINC000376692283 558209652 /nfs/dbraw/zinc/20/96/52/558209652.db2.gz WVYFAIKBDXYAOT-HNNXBMFYSA-N 1 2 355.446 2.147 20 30 FEEDLO Cc1nc(C[N@H+](C)[C@H]2CCCN(c3nnc(C)c(C)c3C#N)CC2)no1 ZINC000376692283 558209654 /nfs/dbraw/zinc/20/96/54/558209654.db2.gz WVYFAIKBDXYAOT-HNNXBMFYSA-N 1 2 355.446 2.147 20 30 FEEDLO C[C@]1(C(=O)N(CCC#N)CC[NH+]2CCOCC2)[C@H]2Cc3ccccc3[C@H]21 ZINC000376738612 558215246 /nfs/dbraw/zinc/21/52/46/558215246.db2.gz YNANLUJNWORPIO-ZVDOUQERSA-N 1 2 353.466 2.037 20 30 FEEDLO N#Cc1cccnc1N1CCCN(C(=O)Nc2ccn3cc[nH+]c3c2)CC1 ZINC000377811590 558425296 /nfs/dbraw/zinc/42/52/96/558425296.db2.gz NFNGQGYRKNFINT-UHFFFAOYSA-N 1 2 361.409 2.345 20 30 FEEDLO N#Cc1ccc(-c2nnc(C[NH+]3CCC(NC(=O)C4CCC4)CC3)o2)cc1 ZINC000377921156 558448804 /nfs/dbraw/zinc/44/88/04/558448804.db2.gz XKZWLLAFYNWIIS-UHFFFAOYSA-N 1 2 365.437 2.489 20 30 FEEDLO N#Cc1ccccc1NC(=O)CCCC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000378319948 558529292 /nfs/dbraw/zinc/52/92/92/558529292.db2.gz WXEOWTKXIZBKRK-AWEZNQCLSA-N 1 2 351.410 2.064 20 30 FEEDLO N#Cc1ccccc1NC(=O)CCCC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000378319948 558529294 /nfs/dbraw/zinc/52/92/94/558529294.db2.gz WXEOWTKXIZBKRK-AWEZNQCLSA-N 1 2 351.410 2.064 20 30 FEEDLO Cc1n[nH]c(C)c1[C@@H]1COCC[N@@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000378330639 558531235 /nfs/dbraw/zinc/53/12/35/558531235.db2.gz ICDZLTVIBNTXRB-KRWDZBQOSA-N 1 2 353.426 2.300 20 30 FEEDLO Cc1n[nH]c(C)c1[C@@H]1COCC[N@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000378330639 558531238 /nfs/dbraw/zinc/53/12/38/558531238.db2.gz ICDZLTVIBNTXRB-KRWDZBQOSA-N 1 2 353.426 2.300 20 30 FEEDLO CN(C(=O)[C@H]1CC12CC[NH+](CC(=O)Nc1sccc1C#N)CC2)C1CC1 ZINC000378467733 558564387 /nfs/dbraw/zinc/56/43/87/558564387.db2.gz VZMGFOQVZAQXNU-OAHLLOKOSA-N 1 2 372.494 2.281 20 30 FEEDLO C=CCN1CC[C@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)C1=O ZINC000410177200 558744006 /nfs/dbraw/zinc/74/40/06/558744006.db2.gz CAXXYFMFSSHKHF-OALUTQOASA-N 1 2 373.472 2.426 20 30 FEEDLO C=CCN1CC[C@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)C1=O ZINC000410177200 558744009 /nfs/dbraw/zinc/74/40/09/558744009.db2.gz CAXXYFMFSSHKHF-OALUTQOASA-N 1 2 373.472 2.426 20 30 FEEDLO C=CCN1CC[C@H]([NH+]2CCN(Cc3ccc(F)cc3Cl)CC2)C1=O ZINC000410312179 558750877 /nfs/dbraw/zinc/75/08/77/558750877.db2.gz OPWRZLWOOLNMHE-KRWDZBQOSA-N 1 2 351.853 2.384 20 30 FEEDLO C=CC[C@@H]1N(C(=O)C(=O)N2CC[C@H](c3[nH+]ccn3C)C2)CCCC1(C)C ZINC000411003563 558831174 /nfs/dbraw/zinc/83/11/74/558831174.db2.gz OJRIUIFEBTXDMF-HOTGVXAUSA-N 1 2 358.486 2.329 20 30 FEEDLO N#Cc1ccc([C@@H](C(N)=O)[N@@H+]2CC[C@@]3(C2)CC(=O)c2ccccc2O3)cc1 ZINC000411976555 558998643 /nfs/dbraw/zinc/99/86/43/558998643.db2.gz DJQLKHMXKXCUBJ-FPOVZHCZSA-N 1 2 361.401 2.195 20 30 FEEDLO N#Cc1ccc([C@@H](C(N)=O)[N@H+]2CC[C@@]3(C2)CC(=O)c2ccccc2O3)cc1 ZINC000411976555 558998644 /nfs/dbraw/zinc/99/86/44/558998644.db2.gz DJQLKHMXKXCUBJ-FPOVZHCZSA-N 1 2 361.401 2.195 20 30 FEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CC[C@]2(C1)CC(=O)c1ccccc1O2 ZINC000411990398 559000022 /nfs/dbraw/zinc/00/00/22/559000022.db2.gz SPDIAZXQBPWHDA-FOIQADDNSA-N 1 2 355.438 2.104 20 30 FEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CC[C@]2(C1)CC(=O)c1ccccc1O2 ZINC000411990398 559000023 /nfs/dbraw/zinc/00/00/23/559000023.db2.gz SPDIAZXQBPWHDA-FOIQADDNSA-N 1 2 355.438 2.104 20 30 FEEDLO C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CCN(c2nc3ccccc3s2)CC1 ZINC000526056750 562265458 /nfs/dbraw/zinc/26/54/58/562265458.db2.gz NNAVGCMBCLQRAZ-CQSZACIVSA-N 1 2 369.494 2.369 20 30 FEEDLO COc1cccc(OCC[NH+]2CCN(c3ncc(C#N)cc3F)CC2)c1 ZINC000413195605 559087513 /nfs/dbraw/zinc/08/75/13/559087513.db2.gz JKAYXKLIBUAOBN-UHFFFAOYSA-N 1 2 356.401 2.302 20 30 FEEDLO N#Cc1cnc(N(CCC[NH+]2CCOCC2)Cc2ccncc2)c(F)c1 ZINC000413213272 559088997 /nfs/dbraw/zinc/08/89/97/559088997.db2.gz ZTXQLTXYNPJPEO-UHFFFAOYSA-N 1 2 355.417 2.216 20 30 FEEDLO CC(C)(C[NH+]1CCOCC1)NC(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000416823729 559333876 /nfs/dbraw/zinc/33/38/76/559333876.db2.gz XJAMPZKVQHHKAP-UHFFFAOYSA-N 1 2 368.384 2.392 20 30 FEEDLO CC(C)(C)OC(=O)C[NH2+][C@@]1(C)CCN(c2ccc([N+](=O)[O-])c(C#N)c2)C1 ZINC000418940208 559422810 /nfs/dbraw/zinc/42/28/10/559422810.db2.gz GSTYQLNWAQVSIQ-SFHVURJKSA-N 1 2 360.414 2.367 20 30 FEEDLO C=CCC[C@H]1NC(=O)N([C@H](C[NH+]2CCOCC2)c2ccc(C)cc2)C1=O ZINC000419929640 559464972 /nfs/dbraw/zinc/46/49/72/559464972.db2.gz WARWCLAPNJDSJD-QZTJIDSGSA-N 1 2 357.454 2.255 20 30 FEEDLO Cc1cc(N2CCC(NS(=O)(=O)c3ccccc3)CC2)c(C#N)c[nH+]1 ZINC000425205320 559691046 /nfs/dbraw/zinc/69/10/46/559691046.db2.gz IJODSPDQKVSESY-UHFFFAOYSA-N 1 2 356.451 2.209 20 30 FEEDLO Cc1cc(N2CCC[C@@H](NS(=O)(=O)c3cccc(F)c3)C2)c(C#N)c[nH+]1 ZINC000425219221 559691957 /nfs/dbraw/zinc/69/19/57/559691957.db2.gz BAXMZWUVVXATKC-MRXNPFEDSA-N 1 2 374.441 2.348 20 30 FEEDLO C[C@@H]1CN(c2ccc(CNC(=O)N[C@@H]3CC[C@H](C#N)C3)c[nH+]2)C[C@H](C)O1 ZINC000425413345 559701012 /nfs/dbraw/zinc/70/10/12/559701012.db2.gz CGYMPIYFFHZWCC-QSJFSLAZSA-N 1 2 357.458 2.187 20 30 FEEDLO CN([C@H](c1[nH]cc[nH+]1)c1ccccc1)S(=O)(=O)c1ccc(C#N)nc1 ZINC000432305736 559855962 /nfs/dbraw/zinc/85/59/62/559855962.db2.gz DDBGNCOFCSZRCQ-INIZCTEOSA-N 1 2 353.407 2.086 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ncc(Br)cn1 ZINC000432993159 559869416 /nfs/dbraw/zinc/86/94/16/559869416.db2.gz QJUAKLPGWCVFGY-PGUXBMHVSA-N 1 2 368.279 2.333 20 30 FEEDLO C[N@H+](CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)CC(C)(C)C#N ZINC000433298710 559876256 /nfs/dbraw/zinc/87/62/56/559876256.db2.gz PMSKYQHBIDHFMZ-UHFFFAOYSA-N 1 2 356.470 2.345 20 30 FEEDLO C[N@@H+](CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)CC(C)(C)C#N ZINC000433298710 559876257 /nfs/dbraw/zinc/87/62/57/559876257.db2.gz PMSKYQHBIDHFMZ-UHFFFAOYSA-N 1 2 356.470 2.345 20 30 FEEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)c(Br)c2)[C@@H](C)C[N@@H+]1C ZINC000433888737 559889860 /nfs/dbraw/zinc/88/98/60/559889860.db2.gz SUDFGXIFIVRIAE-MNOVXSKESA-N 1 2 372.288 2.034 20 30 FEEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)c(Br)c2)[C@@H](C)C[N@H+]1C ZINC000433888737 559889861 /nfs/dbraw/zinc/88/98/61/559889861.db2.gz SUDFGXIFIVRIAE-MNOVXSKESA-N 1 2 372.288 2.034 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)N2CC[NH+](CCc3ccccc3)CC2)s1 ZINC000435433863 559922843 /nfs/dbraw/zinc/92/28/43/559922843.db2.gz UXZUVDRDQYCLBD-UHFFFAOYSA-N 1 2 361.492 2.169 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000438201888 559975612 /nfs/dbraw/zinc/97/56/12/559975612.db2.gz NCKGQQWISUBQET-UFYCRDLUSA-N 1 2 373.497 2.168 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000438201888 559975613 /nfs/dbraw/zinc/97/56/13/559975613.db2.gz NCKGQQWISUBQET-UFYCRDLUSA-N 1 2 373.497 2.168 20 30 FEEDLO CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)C(=O)Nc1ccc(C#N)cc1 ZINC000440199376 560006595 /nfs/dbraw/zinc/00/65/95/560006595.db2.gz QHQCKUBSVMTCMY-UHFFFAOYSA-N 1 2 373.416 2.400 20 30 FEEDLO COc1cc(C[N@@H+](CC(=O)N2CCCC2)C[C@@H]2CCCO2)ccc1C#N ZINC000442879237 560060443 /nfs/dbraw/zinc/06/04/43/560060443.db2.gz ILLMBHABOBHSQF-SFHVURJKSA-N 1 2 357.454 2.170 20 30 FEEDLO COc1cc(C[N@H+](CC(=O)N2CCCC2)C[C@@H]2CCCO2)ccc1C#N ZINC000442879237 560060445 /nfs/dbraw/zinc/06/04/45/560060445.db2.gz ILLMBHABOBHSQF-SFHVURJKSA-N 1 2 357.454 2.170 20 30 FEEDLO COc1cc(C[NH+]2CCN(CC(=O)NC3CCCCC3)CC2)ccc1C#N ZINC000442883494 560060778 /nfs/dbraw/zinc/06/07/78/560060778.db2.gz VKPWJLLKAUNFOI-UHFFFAOYSA-N 1 2 370.497 2.133 20 30 FEEDLO COc1cc(CN2CC[NH+](CC(=O)NC3CCCCC3)CC2)ccc1C#N ZINC000442883494 560060779 /nfs/dbraw/zinc/06/07/79/560060779.db2.gz VKPWJLLKAUNFOI-UHFFFAOYSA-N 1 2 370.497 2.133 20 30 FEEDLO Cc1cc(S(=O)(=O)NCc2[nH+]ccn2CC(F)(F)F)ccc1C#N ZINC000443886839 560095400 /nfs/dbraw/zinc/09/54/00/560095400.db2.gz UTYGUSWLPMADKN-UHFFFAOYSA-N 1 2 358.345 2.104 20 30 FEEDLO CC1(C)CCCN(CC(=O)N2CC[NH+](Cc3ccsc3)CC2)[C@H]1C#N ZINC000444721171 560118892 /nfs/dbraw/zinc/11/88/92/560118892.db2.gz DTHVLTDWDLREGY-KRWDZBQOSA-N 1 2 360.527 2.406 20 30 FEEDLO C=CCC1(C(=O)N2CC[C@@H](OCC[NH+]3CCOCC3)C2)CCCCC1 ZINC000450119972 560251223 /nfs/dbraw/zinc/25/12/23/560251223.db2.gz QIBYJVMBTKFGJV-GOSISDBHSA-N 1 2 350.503 2.463 20 30 FEEDLO Cc1c(C#N)c(N2CC[NH+]([C@H](C)C(=O)NC3CC3)CC2)nc2ccccc12 ZINC000450227922 560254800 /nfs/dbraw/zinc/25/48/00/560254800.db2.gz ADSBERXRKLMSKR-OAHLLOKOSA-N 1 2 363.465 2.204 20 30 FEEDLO N#CC1(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCSCC1 ZINC000450360561 560259724 /nfs/dbraw/zinc/25/97/24/560259724.db2.gz AAXVGKBICPLANI-UHFFFAOYSA-N 1 2 357.395 2.300 20 30 FEEDLO Cn1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CNc2cccc(C#N)c2[N+](=O)[O-])cn1 ZINC000450461612 560262979 /nfs/dbraw/zinc/26/29/79/560262979.db2.gz BSAOYKYEOCCSBV-GJZGRUSLSA-N 1 2 358.377 2.224 20 30 FEEDLO Cn1cc(C[N@H+]2C[C@@H](F)C[C@H]2CNc2cccc(C#N)c2[N+](=O)[O-])cn1 ZINC000450461612 560262980 /nfs/dbraw/zinc/26/29/80/560262980.db2.gz BSAOYKYEOCCSBV-GJZGRUSLSA-N 1 2 358.377 2.224 20 30 FEEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](c2cccc(Br)c2)C1 ZINC000451568191 560315259 /nfs/dbraw/zinc/31/52/59/560315259.db2.gz MRIFSDLYNUWTFD-CYBMUJFWSA-N 1 2 366.259 2.250 20 30 FEEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](c2cccc(Br)c2)C1 ZINC000451568191 560315260 /nfs/dbraw/zinc/31/52/60/560315260.db2.gz MRIFSDLYNUWTFD-CYBMUJFWSA-N 1 2 366.259 2.250 20 30 FEEDLO COCC[N@H+](CC(=O)NC1(C#N)CCC1)Cc1ccc(F)c(Cl)c1 ZINC000451978523 560341854 /nfs/dbraw/zinc/34/18/54/560341854.db2.gz PPWLSVVURJUAQH-UHFFFAOYSA-N 1 2 353.825 2.490 20 30 FEEDLO COCC[N@@H+](CC(=O)NC1(C#N)CCC1)Cc1ccc(F)c(Cl)c1 ZINC000451978523 560341855 /nfs/dbraw/zinc/34/18/55/560341855.db2.gz PPWLSVVURJUAQH-UHFFFAOYSA-N 1 2 353.825 2.490 20 30 FEEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)C(=O)Nc1ccc(OC(C)C)c(C#N)c1 ZINC000453981123 560419031 /nfs/dbraw/zinc/41/90/31/560419031.db2.gz SEAHJLVJSSWJHS-CYBMUJFWSA-N 1 2 369.425 2.378 20 30 FEEDLO N#Cc1ccc(CNC(=O)c2cccc(C[NH+]3CCOCC3)c2)cc1F ZINC000456833037 560534031 /nfs/dbraw/zinc/53/40/31/560534031.db2.gz HSKJRUVWDDQIBU-UHFFFAOYSA-N 1 2 353.397 2.460 20 30 FEEDLO CC(C)(CC#N)CNC(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000457430260 560566282 /nfs/dbraw/zinc/56/62/82/560566282.db2.gz GWFYCVPJODJGQF-AWEZNQCLSA-N 1 2 350.488 2.360 20 30 FEEDLO CC(C)(CC#N)CNC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000457605037 560577650 /nfs/dbraw/zinc/57/76/50/560577650.db2.gz UBZSIIMNSQGXOQ-UHFFFAOYSA-N 1 2 371.485 2.329 20 30 FEEDLO Cn1c[nH+]c(CCNC(=O)NCC#Cc2ccc(C(F)(F)F)cc2)c1 ZINC000458486725 560626524 /nfs/dbraw/zinc/62/65/24/560626524.db2.gz FVICYQJELSLFTA-UHFFFAOYSA-N 1 2 350.344 2.332 20 30 FEEDLO C=CCC[C@@H](CO)NC(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000458691242 560640988 /nfs/dbraw/zinc/64/09/88/560640988.db2.gz OUWUWZSYNOQSPH-HNNXBMFYSA-N 1 2 351.878 2.324 20 30 FEEDLO C=CCC[C@@H](CO)NC(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000458691242 560640990 /nfs/dbraw/zinc/64/09/90/560640990.db2.gz OUWUWZSYNOQSPH-HNNXBMFYSA-N 1 2 351.878 2.324 20 30 FEEDLO CCOc1cc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)ccc1O ZINC000459361048 560682213 /nfs/dbraw/zinc/68/22/13/560682213.db2.gz RVPXBFGSXOALSK-AWEZNQCLSA-N 1 2 353.426 2.163 20 30 FEEDLO CCOc1cc(C[N@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)ccc1O ZINC000459361048 560682214 /nfs/dbraw/zinc/68/22/14/560682214.db2.gz RVPXBFGSXOALSK-AWEZNQCLSA-N 1 2 353.426 2.163 20 30 FEEDLO C[C@H](C(=O)NCc1cc[nH+]c(N2CCOCC2)c1)c1cccc(C#N)c1 ZINC000461905477 560787490 /nfs/dbraw/zinc/78/74/90/560787490.db2.gz AHESCDJGIOETRR-HNNXBMFYSA-N 1 2 350.422 2.210 20 30 FEEDLO C=CCNC(=O)C[NH+]1CCN(c2ccc(C(F)(F)F)c(C#N)c2)CC1 ZINC000463429466 560814053 /nfs/dbraw/zinc/81/40/53/560814053.db2.gz JQOAKBXIRLXNLU-UHFFFAOYSA-N 1 2 352.360 2.001 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1cccc(-c2cscn2)c1 ZINC000463627598 560819735 /nfs/dbraw/zinc/81/97/35/560819735.db2.gz VZVSMKQHWZFSOF-UHFFFAOYSA-N 1 2 370.478 2.498 20 30 FEEDLO C[C@@H](C(=O)NC1(C#N)CCC1)N(C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000469617630 560959705 /nfs/dbraw/zinc/95/97/05/560959705.db2.gz OBNDZYXPMXTDFQ-INIZCTEOSA-N 1 2 351.454 2.314 20 30 FEEDLO Cc1nn(C)c(N2CC[NH+]([C@@H](C)c3ccccc3[N+](=O)[O-])CC2)c1C#N ZINC000472162348 561020023 /nfs/dbraw/zinc/02/00/23/561020023.db2.gz YCWSLNXRXDRETF-AWEZNQCLSA-N 1 2 354.414 2.392 20 30 FEEDLO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCc3n[nH]nc3C1)CCCCC2 ZINC000472776700 561035063 /nfs/dbraw/zinc/03/50/63/561035063.db2.gz XLSSYTPNCSUATF-UHFFFAOYSA-N 1 2 370.482 2.394 20 30 FEEDLO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCc3n[nH]nc3C1)CCCCC2 ZINC000472776700 561035064 /nfs/dbraw/zinc/03/50/64/561035064.db2.gz XLSSYTPNCSUATF-UHFFFAOYSA-N 1 2 370.482 2.394 20 30 FEEDLO CSc1[nH]c(=O)c(C(=O)N2CCC(C[NH+]3CCCC3)CC2)cc1C#N ZINC000476407001 561118729 /nfs/dbraw/zinc/11/87/29/561118729.db2.gz OKTNKQDVEMALNH-UHFFFAOYSA-N 1 2 360.483 2.329 20 30 FEEDLO COc1cccc([C@@H]2C[N@H+](C[C@H](O)COc3ccccc3C#N)CCO2)c1 ZINC000528405531 562327201 /nfs/dbraw/zinc/32/72/01/562327201.db2.gz LOCAOHHDBTWDQJ-RXVVDRJESA-N 1 2 368.433 2.380 20 30 FEEDLO COc1cccc([C@@H]2C[N@@H+](C[C@H](O)COc3ccccc3C#N)CCO2)c1 ZINC000528405531 562327202 /nfs/dbraw/zinc/32/72/02/562327202.db2.gz LOCAOHHDBTWDQJ-RXVVDRJESA-N 1 2 368.433 2.380 20 30 FEEDLO Cn1nccc1[C@H]1CCCC[N@@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC000528488326 562331874 /nfs/dbraw/zinc/33/18/74/562331874.db2.gz BGJZMAMVCOPGRR-LJQANCHMSA-N 1 2 362.433 2.247 20 30 FEEDLO Cn1nccc1[C@H]1CCCC[N@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC000528488326 562331875 /nfs/dbraw/zinc/33/18/75/562331875.db2.gz BGJZMAMVCOPGRR-LJQANCHMSA-N 1 2 362.433 2.247 20 30 FEEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@H]1c1ccc(=O)[nH]n1 ZINC000528795121 562348423 /nfs/dbraw/zinc/34/84/23/562348423.db2.gz RJRSMMYEHBOHDQ-HNNXBMFYSA-N 1 2 357.801 2.483 20 30 FEEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@H]1c1ccc(=O)[nH]n1 ZINC000528795121 562348424 /nfs/dbraw/zinc/34/84/24/562348424.db2.gz RJRSMMYEHBOHDQ-HNNXBMFYSA-N 1 2 357.801 2.483 20 30 FEEDLO N#Cc1ccc([C@H](C(N)=O)[NH+]2CCC(NC(=O)CC3CCCC3)CC2)cc1 ZINC000532554595 562481364 /nfs/dbraw/zinc/48/13/64/562481364.db2.gz VMMGLDSAXFZBQM-HXUWFJFHSA-N 1 2 368.481 2.246 20 30 FEEDLO COc1ccc(OC)c(C[N@H+](CCO)CC(=O)Nc2ccc(C#N)cc2)c1 ZINC000532584719 562482215 /nfs/dbraw/zinc/48/22/15/562482215.db2.gz YYMMKGQVYWHBJO-UHFFFAOYSA-N 1 2 369.421 2.008 20 30 FEEDLO COc1ccc(OC)c(C[N@@H+](CCO)CC(=O)Nc2ccc(C#N)cc2)c1 ZINC000532584719 562482216 /nfs/dbraw/zinc/48/22/16/562482216.db2.gz YYMMKGQVYWHBJO-UHFFFAOYSA-N 1 2 369.421 2.008 20 30 FEEDLO N#Cc1ccc(Nc2cccc(C(=O)NC[C@H]3C[NH+]4CCN3CC4)c2)cc1 ZINC000532638552 562484084 /nfs/dbraw/zinc/48/40/84/562484084.db2.gz YIKBXWONXDNAIH-FQEVSTJZSA-N 1 2 361.449 2.031 20 30 FEEDLO COc1ccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1C#N ZINC000532746031 562487458 /nfs/dbraw/zinc/48/74/58/562487458.db2.gz VTCSVPVUMBSQJY-UHFFFAOYSA-N 1 2 353.382 2.192 20 30 FEEDLO CC(C)(C)C[N@H+](CCC#N)CC(=O)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000532968319 562494272 /nfs/dbraw/zinc/49/42/72/562494272.db2.gz BVALPDSBLMBMOR-UHFFFAOYSA-N 1 2 360.414 2.325 20 30 FEEDLO CC(C)(C)C[N@@H+](CCC#N)CC(=O)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000532968319 562494273 /nfs/dbraw/zinc/49/42/73/562494273.db2.gz BVALPDSBLMBMOR-UHFFFAOYSA-N 1 2 360.414 2.325 20 30 FEEDLO N#Cc1ccc(CNC(=O)CN2CC[NH+](Cc3ccsc3)CC2)cc1 ZINC000534523152 562535866 /nfs/dbraw/zinc/53/58/66/562535866.db2.gz RIVZQCWJOYQPDW-UHFFFAOYSA-N 1 2 354.479 2.054 20 30 FEEDLO N#Cc1ccc(C2=CC[N@H+](CC(=O)NC(=O)NC3CCCC3)CC2)cc1 ZINC000535758886 562566988 /nfs/dbraw/zinc/56/69/88/562566988.db2.gz UYQXHSAHCVTCFB-UHFFFAOYSA-N 1 2 352.438 2.416 20 30 FEEDLO N#Cc1ccc(C2=CC[N@@H+](CC(=O)NC(=O)NC3CCCC3)CC2)cc1 ZINC000535758886 562566989 /nfs/dbraw/zinc/56/69/89/562566989.db2.gz UYQXHSAHCVTCFB-UHFFFAOYSA-N 1 2 352.438 2.416 20 30 FEEDLO N#Cc1cccc(-n2ccc(C(=O)N3CCN(c4cccc[nH+]4)CC3)n2)c1 ZINC000537300989 562589330 /nfs/dbraw/zinc/58/93/30/562589330.db2.gz XQFVBXMIPACISG-UHFFFAOYSA-N 1 2 358.405 2.101 20 30 FEEDLO COc1cccc2c1CC[N@@H+]([C@@H]1CC(=O)N(c3ccc(C#N)cc3)C1=O)C2 ZINC000542016250 562625673 /nfs/dbraw/zinc/62/56/73/562625673.db2.gz BJJDJQIFPWTJLI-GOSISDBHSA-N 1 2 361.401 2.257 20 30 FEEDLO COc1cccc2c1CC[N@H+]([C@@H]1CC(=O)N(c3ccc(C#N)cc3)C1=O)C2 ZINC000542016250 562625674 /nfs/dbraw/zinc/62/56/74/562625674.db2.gz BJJDJQIFPWTJLI-GOSISDBHSA-N 1 2 361.401 2.257 20 30 FEEDLO CCc1[nH+]c2ccccc2n1CC(=O)N1CCN(c2cccc(C#N)n2)CC1 ZINC000545489078 562627975 /nfs/dbraw/zinc/62/79/75/562627975.db2.gz GTKGLVXUUALBNE-UHFFFAOYSA-N 1 2 374.448 2.214 20 30 FEEDLO CC[N@@H+](Cc1ccc(S(N)(=O)=O)c(Br)c1)C[C@H](C)C#N ZINC000602447032 567981268 /nfs/dbraw/zinc/98/12/68/567981268.db2.gz KPOSOUFVVUMRAB-SNVBAGLBSA-N 1 2 360.277 2.078 20 30 FEEDLO CC[N@H+](Cc1ccc(S(N)(=O)=O)c(Br)c1)C[C@H](C)C#N ZINC000602447032 567981269 /nfs/dbraw/zinc/98/12/69/567981269.db2.gz KPOSOUFVVUMRAB-SNVBAGLBSA-N 1 2 360.277 2.078 20 30 FEEDLO CCOc1ccc(NC(=O)C[NH+]2C[C@@H](C)N(CC#N)[C@H](C)C2)cc1OCC ZINC000602854525 568002120 /nfs/dbraw/zinc/00/21/20/568002120.db2.gz BTAIOLBDEQXWGO-HZPDHXFCSA-N 1 2 374.485 2.341 20 30 FEEDLO CC(C)[C@H](CNC(=O)C[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1)c1ccccc1 ZINC000602858470 568002909 /nfs/dbraw/zinc/00/29/09/568002909.db2.gz BHLZYWJHZHOJNI-NSHGMRRFSA-N 1 2 356.514 2.461 20 30 FEEDLO CC(C)[C@H](CNC(=O)C[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1)c1ccccc1 ZINC000602858470 568002910 /nfs/dbraw/zinc/00/29/10/568002910.db2.gz BHLZYWJHZHOJNI-NSHGMRRFSA-N 1 2 356.514 2.461 20 30 FEEDLO C[N@H+](CC(=O)NC1CCN(C(=O)C2CCCCC2)CC1)[C@@H]1CCC[C@H]1C#N ZINC000602977175 568036200 /nfs/dbraw/zinc/03/62/00/568036200.db2.gz YUPCHWPFWXPTRK-PKOBYXMFSA-N 1 2 374.529 2.298 20 30 FEEDLO C[N@@H+](CC(=O)NC1CCN(C(=O)C2CCCCC2)CC1)[C@@H]1CCC[C@H]1C#N ZINC000602977175 568036202 /nfs/dbraw/zinc/03/62/02/568036202.db2.gz YUPCHWPFWXPTRK-PKOBYXMFSA-N 1 2 374.529 2.298 20 30 FEEDLO C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(Br)cc2)C[C@H](C)N1CC#N ZINC000602860895 568049357 /nfs/dbraw/zinc/04/93/57/568049357.db2.gz JRWWUASMZBRALQ-BETUJISGSA-N 1 2 365.275 2.306 20 30 FEEDLO C[C@@H]1C[N@H+](CC(=O)Nc2ccc(Br)cc2)C[C@H](C)N1CC#N ZINC000602860895 568049358 /nfs/dbraw/zinc/04/93/58/568049358.db2.gz JRWWUASMZBRALQ-BETUJISGSA-N 1 2 365.275 2.306 20 30 FEEDLO CC(C)c1nnc(CC2CC[NH+](CC(=O)N[C@@](C)(C#N)C(C)C)CC2)[nH]1 ZINC000602862558 568049801 /nfs/dbraw/zinc/04/98/01/568049801.db2.gz KBWJMPBKSZXWKG-IBGZPJMESA-N 1 2 360.506 2.237 20 30 FEEDLO CC(C)c1nc(CC2CC[NH+](CC(=O)N[C@@](C)(C#N)C(C)C)CC2)n[nH]1 ZINC000602862558 568049803 /nfs/dbraw/zinc/04/98/03/568049803.db2.gz KBWJMPBKSZXWKG-IBGZPJMESA-N 1 2 360.506 2.237 20 30 FEEDLO Cc1cc2[nH+]cn(Cc3cn([C@@H](C)C(=O)N(C)CCC#N)nn3)c2cc1C ZINC000603187847 568071679 /nfs/dbraw/zinc/07/16/79/568071679.db2.gz FQSDPAOKGHJILG-HNNXBMFYSA-N 1 2 365.441 2.226 20 30 FEEDLO Cn1cc(C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)c([C@@H]2CCOC2)n1 ZINC000330343645 568268028 /nfs/dbraw/zinc/26/80/28/568268028.db2.gz CDVDPKIMWUOCQQ-MRXNPFEDSA-N 1 2 370.453 2.393 20 30 FEEDLO CCCOc1ccc(CNC(=O)C[NH+]2CCN([C@H](C#N)C(C)C)CC2)cc1 ZINC000609484802 568344979 /nfs/dbraw/zinc/34/49/79/568344979.db2.gz KQSNKHZQJXSLHQ-HXUWFJFHSA-N 1 2 372.513 2.257 20 30 FEEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@H](C)C(=O)NC[C@@H](C)c2ccccc2)CC1 ZINC000609485778 568346164 /nfs/dbraw/zinc/34/61/64/568346164.db2.gz XJRAYBYXYISDRH-GGPKGHCWSA-N 1 2 356.514 2.461 20 30 FEEDLO CC(C)[C@@H](C#N)N1CC[NH+]([C@H](C)C(=O)NCCc2ccc(F)cc2)CC1 ZINC000609487281 568346671 /nfs/dbraw/zinc/34/66/71/568346671.db2.gz ZXQWOFLPQPJKHQ-VQIMIIECSA-N 1 2 360.477 2.039 20 30 FEEDLO C[N@H+](Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)o1)Cc1cccc(C#N)c1 ZINC000821613555 599559441 /nfs/dbraw/zinc/55/94/41/599559441.db2.gz RXPFYZHBRYETLF-UHFFFAOYSA-N 1 2 372.392 2.420 20 30 FEEDLO C[N@@H+](Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)o1)Cc1cccc(C#N)c1 ZINC000821613555 599559443 /nfs/dbraw/zinc/55/94/43/599559443.db2.gz RXPFYZHBRYETLF-UHFFFAOYSA-N 1 2 372.392 2.420 20 30 FEEDLO C[C@@H]1C[N@H+](C)[C@@H](C)CN1S(=O)(=O)c1cccc(Br)c1C#N ZINC000557841556 674470166 /nfs/dbraw/zinc/47/01/66/674470166.db2.gz XAKJVLMHBPKKCM-WDEREUQCSA-N 1 2 372.288 2.034 20 30 FEEDLO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1S(=O)(=O)c1cccc(Br)c1C#N ZINC000557841556 674470167 /nfs/dbraw/zinc/47/01/67/674470167.db2.gz XAKJVLMHBPKKCM-WDEREUQCSA-N 1 2 372.288 2.034 20 30 FEEDLO N#Cc1cccc([C@@H]2C[N@H+](Cc3ccc(F)cc3-c3nn[nH]n3)CCO2)c1 ZINC000826386686 608069056 /nfs/dbraw/zinc/06/90/56/608069056.db2.gz OMSMCZVOGLTHNB-SFHVURJKSA-N 1 2 364.384 2.451 20 30 FEEDLO N#Cc1cccc([C@@H]2C[N@@H+](Cc3ccc(F)cc3-c3nn[nH]n3)CCO2)c1 ZINC000826386686 608069057 /nfs/dbraw/zinc/06/90/57/608069057.db2.gz OMSMCZVOGLTHNB-SFHVURJKSA-N 1 2 364.384 2.451 20 30 FEEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[NH+]1CCC2(CC1)OCCO2 ZINC000026937964 670075652 /nfs/dbraw/zinc/07/56/52/670075652.db2.gz FWOAQYBEYAAFJY-LBPRGKRZSA-N 1 2 361.467 2.274 20 30 FEEDLO N#Cc1ccc(NC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)cc1F ZINC000574085855 671200599 /nfs/dbraw/zinc/20/05/99/671200599.db2.gz HJZLPYCNLWQUMA-QGZVFWFLSA-N 1 2 364.446 2.027 20 30 FEEDLO COc1cc(NC[C@H](O)C[N@H+](C)CCC#N)cc(OC)c1Br ZINC000576272995 671357019 /nfs/dbraw/zinc/35/70/19/671357019.db2.gz XSDAGCBOLRAYFE-LBPRGKRZSA-N 1 2 372.263 2.085 20 30 FEEDLO COc1cc(NC[C@H](O)C[N@@H+](C)CCC#N)cc(OC)c1Br ZINC000576272995 671357023 /nfs/dbraw/zinc/35/70/23/671357023.db2.gz XSDAGCBOLRAYFE-LBPRGKRZSA-N 1 2 372.263 2.085 20 30 FEEDLO N#CCCOCC[NH+]1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 ZINC000578028807 671636219 /nfs/dbraw/zinc/63/62/19/671636219.db2.gz CSNOMMJNCFFHCY-UHFFFAOYSA-N 1 2 355.360 2.393 20 30 FEEDLO Cc1csc(NC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)c1C#N ZINC000579369990 671731326 /nfs/dbraw/zinc/73/13/26/671731326.db2.gz UMECYZVJGRKJKD-INIZCTEOSA-N 1 2 366.512 2.258 20 30 FEEDLO C#CCSCCNC(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000173284318 672349575 /nfs/dbraw/zinc/34/95/75/672349575.db2.gz FUNAHVJAJBSZKI-UHFFFAOYSA-N 1 2 360.527 2.387 20 30 FEEDLO CN(C)S(=O)(=O)c1cccc(C(=O)/C=C/c2cccc3[nH+]ccn32)c1 ZINC000179026855 672398354 /nfs/dbraw/zinc/39/83/54/672398354.db2.gz ZGHPNATYXMFXKY-MDZDMXLPSA-N 1 2 355.419 2.481 20 30 FEEDLO Cc1nnc([C@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)C2)[nH]1 ZINC000591053789 672644987 /nfs/dbraw/zinc/64/49/87/672644987.db2.gz OZZGAVSYHWGPTH-GWCFXTLKSA-N 1 2 358.833 2.455 20 30 FEEDLO Cc1nnc([C@H]2CC[N@H+]([C@@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)C2)[nH]1 ZINC000591053789 672644988 /nfs/dbraw/zinc/64/49/88/672644988.db2.gz OZZGAVSYHWGPTH-GWCFXTLKSA-N 1 2 358.833 2.455 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[NH2+]Cc2ccn(C3CCCC3)n2)cc1 ZINC000591756582 672708492 /nfs/dbraw/zinc/70/84/92/672708492.db2.gz HJTKHWATHCOQNC-UHFFFAOYSA-N 1 2 358.467 2.433 20 30 FEEDLO N#Cc1cnccc1CN1CC[NH+]([C@H](CO)c2ccc(Cl)cc2)CC1 ZINC000592069954 672746471 /nfs/dbraw/zinc/74/64/71/672746471.db2.gz BZUCBPFTMCBYLV-LJQANCHMSA-N 1 2 356.857 2.458 20 30 FEEDLO C[N@@H+]1CCO[C@H](CNC(=O)N[C@@H]2C[C@@H]2c2ccccc2C(F)(F)F)C1 ZINC000329091973 673071797 /nfs/dbraw/zinc/07/17/97/673071797.db2.gz JTVDBYWOMDXERQ-UXIGCNINSA-N 1 2 357.376 2.396 20 30 FEEDLO C[N@H+]1CCO[C@H](CNC(=O)N[C@@H]2C[C@@H]2c2ccccc2C(F)(F)F)C1 ZINC000329091973 673071804 /nfs/dbraw/zinc/07/18/04/673071804.db2.gz JTVDBYWOMDXERQ-UXIGCNINSA-N 1 2 357.376 2.396 20 30 FEEDLO C[NH+](C)CCN(Cc1cccc(C#N)c1)S(=O)(=O)c1ccccc1O ZINC000594752313 673129317 /nfs/dbraw/zinc/12/93/17/673129317.db2.gz OBPKKBCTSZLBPP-UHFFFAOYSA-N 1 2 359.451 2.016 20 30 FEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(OCC(F)(F)C(F)F)nc1 ZINC000730285276 673268984 /nfs/dbraw/zinc/26/89/84/673268984.db2.gz KKNRKYIDZVDREN-LBPRGKRZSA-N 1 2 359.323 2.397 20 30 FEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(OCC(F)(F)C(F)F)nc1 ZINC000730285276 673268989 /nfs/dbraw/zinc/26/89/89/673268989.db2.gz KKNRKYIDZVDREN-LBPRGKRZSA-N 1 2 359.323 2.397 20 30 FEEDLO COc1cc(C#N)ccc1S(=O)(=O)Nc1cccc2c1CC[N@H+](C)C2 ZINC000613319504 676123098 /nfs/dbraw/zinc/12/30/98/676123098.db2.gz ZBDXPLIWSFVQIV-UHFFFAOYSA-N 1 2 357.435 2.356 20 30 FEEDLO COc1cc(C#N)ccc1S(=O)(=O)Nc1cccc2c1CC[N@@H+](C)C2 ZINC000613319504 676123100 /nfs/dbraw/zinc/12/31/00/676123100.db2.gz ZBDXPLIWSFVQIV-UHFFFAOYSA-N 1 2 357.435 2.356 20 30 FEEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C)C[C@@H]1COCCO1 ZINC000595737060 673287017 /nfs/dbraw/zinc/28/70/17/673287017.db2.gz PWVAZJUOJQESCG-HUUCEWRRSA-N 1 2 363.483 2.367 20 30 FEEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C)C[C@@H]1COCCO1 ZINC000595737060 673287018 /nfs/dbraw/zinc/28/70/18/673287018.db2.gz PWVAZJUOJQESCG-HUUCEWRRSA-N 1 2 363.483 2.367 20 30 FEEDLO CC(C)(C)OC(=O)C1([NH2+]C[C@H](O)CC2(C#N)CCOCC2)CCCC1 ZINC000599329533 673659805 /nfs/dbraw/zinc/65/98/05/673659805.db2.gz MZXVCKMAPDQDJW-OAHLLOKOSA-N 1 2 352.475 2.302 20 30 FEEDLO N#Cc1ccc(CN2CC[NH+](Cc3cn[nH]c3)CC2)c(Br)c1 ZINC000599438550 673675781 /nfs/dbraw/zinc/67/57/81/673675781.db2.gz DZGLKGVWSXJYOR-UHFFFAOYSA-N 1 2 360.259 2.362 20 30 FEEDLO CC(C)(CNS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N)n1cc[nH+]c1 ZINC000601525566 673877742 /nfs/dbraw/zinc/87/77/42/673877742.db2.gz CCEIGLGIUKSFOS-UHFFFAOYSA-N 1 2 372.372 2.487 20 30 FEEDLO C#C[C@H](C)NC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000820405293 675360666 /nfs/dbraw/zinc/36/06/66/675360666.db2.gz DMHAFFIOMILKNE-LBPRGKRZSA-N 1 2 365.231 2.472 20 30 FEEDLO N#CCc1cccc(S(=O)(=O)NCc2ccccc2-n2cc[nH+]c2)c1 ZINC000619478529 676379551 /nfs/dbraw/zinc/37/95/51/676379551.db2.gz UFDXQAUAISHTPQ-UHFFFAOYSA-N 1 2 352.419 2.417 20 30 FEEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1C[C@@H](OC)C[C@@]1(C)CO ZINC000640007651 677171231 /nfs/dbraw/zinc/17/12/31/677171231.db2.gz FPFBLCHQBUMMBC-KSSFIOAISA-N 1 2 350.484 2.375 20 30 FEEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1C[C@@H](OC)C[C@@]1(C)CO ZINC000640007651 677171232 /nfs/dbraw/zinc/17/12/32/677171232.db2.gz FPFBLCHQBUMMBC-KSSFIOAISA-N 1 2 350.484 2.375 20 30 FEEDLO CC#CC[NH2+]Cc1cn(CC(=O)N[C@@H](c2cccs2)C(C)(C)C)nn1 ZINC000641007648 677193113 /nfs/dbraw/zinc/19/31/13/677193113.db2.gz XBLJQLKZTDRJOT-KRWDZBQOSA-N 1 2 359.499 2.356 20 30 FEEDLO CC#CC[NH2+]Cc1cn(Cc2noc(-c3c(F)cccc3Cl)n2)nn1 ZINC000641123802 677195008 /nfs/dbraw/zinc/19/50/08/677195008.db2.gz XRZSGTNSPZFVNK-UHFFFAOYSA-N 1 2 360.780 2.282 20 30 FEEDLO CC#CC[NH2+]Cc1cn(C[C@@H](O)COc2ccc(Cl)c(Cl)c2)nn1 ZINC000641206321 677196848 /nfs/dbraw/zinc/19/68/48/677196848.db2.gz SQDKNMFEZROQDP-CYBMUJFWSA-N 1 2 369.252 2.138 20 30 FEEDLO CC#CC[NH2+]Cc1cn(C[C@H](O)Cc2ccc(C(F)(F)F)cc2)nn1 ZINC000641225544 677197407 /nfs/dbraw/zinc/19/74/07/677197407.db2.gz CNLBIJISEFWNQN-MRXNPFEDSA-N 1 2 352.360 2.013 20 30 FEEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@](CO)(OC)C1 ZINC000661396292 678477342 /nfs/dbraw/zinc/47/73/42/678477342.db2.gz PWRQTIQOQSNGSE-SFHVURJKSA-N 1 2 350.484 2.377 20 30 FEEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@](CO)(OC)C1 ZINC000661396292 678477346 /nfs/dbraw/zinc/47/73/46/678477346.db2.gz PWRQTIQOQSNGSE-SFHVURJKSA-N 1 2 350.484 2.377 20 30 FEEDLO Cc1cc(=O)oc2cc(OC[C@H](O)C[N@H+](C)CCC#N)c(Cl)cc12 ZINC000840752135 680840733 /nfs/dbraw/zinc/84/07/33/680840733.db2.gz AWGUJVMVAWBEOR-GFCCVEGCSA-N 1 2 350.802 2.340 20 30 FEEDLO Cc1cc(=O)oc2cc(OC[C@H](O)C[N@@H+](C)CCC#N)c(Cl)cc12 ZINC000840752135 680840735 /nfs/dbraw/zinc/84/07/35/680840735.db2.gz AWGUJVMVAWBEOR-GFCCVEGCSA-N 1 2 350.802 2.340 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2c(C)nn(C)c2Cl)C1 ZINC001008557150 679913339 /nfs/dbraw/zinc/91/33/39/679913339.db2.gz AVRVKUQHTUPNQH-LZWOXQAQSA-N 1 2 366.893 2.054 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2c(C)nn(C)c2Cl)C1 ZINC001008557150 679913345 /nfs/dbraw/zinc/91/33/45/679913345.db2.gz AVRVKUQHTUPNQH-LZWOXQAQSA-N 1 2 366.893 2.054 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H](C[N@@H+](C)Cc2nncs2)C1 ZINC001017129852 680069863 /nfs/dbraw/zinc/06/98/63/680069863.db2.gz GKXJKDGWNJZZKP-OAGGEKHMSA-N 1 2 364.515 2.190 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H](C[N@H+](C)Cc2nncs2)C1 ZINC001017129852 680069866 /nfs/dbraw/zinc/06/98/66/680069866.db2.gz GKXJKDGWNJZZKP-OAGGEKHMSA-N 1 2 364.515 2.190 20 30 FEEDLO C=CC(C)(C)C(=O)N1CC[NH+]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000832111593 680095828 /nfs/dbraw/zinc/09/58/28/680095828.db2.gz NMJOMECLTJYNHI-OAHLLOKOSA-N 1 2 351.491 2.352 20 30 FEEDLO C[C@@H]1C[N@@H+](C)CC1N=Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000752169771 680226196 /nfs/dbraw/zinc/22/61/96/680226196.db2.gz YXOVOIWFVFWOIF-LLVKDONJSA-N 1 2 365.484 2.293 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](Cc2nnc(C)s2)C1 ZINC001023375232 680257262 /nfs/dbraw/zinc/25/72/62/680257262.db2.gz JJCUEBCZULTVKV-XHSDSOJGSA-N 1 2 364.515 2.156 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](Cc2nnc(C)s2)C1 ZINC001023375232 680257264 /nfs/dbraw/zinc/25/72/64/680257264.db2.gz JJCUEBCZULTVKV-XHSDSOJGSA-N 1 2 364.515 2.156 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+](Cc2nnc(C)s2)C1 ZINC001023643038 680268706 /nfs/dbraw/zinc/26/87/06/680268706.db2.gz NCNWCEMYZVPBQO-VYDXJSESSA-N 1 2 364.515 2.156 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+](Cc2nnc(C)s2)C1 ZINC001023643038 680268709 /nfs/dbraw/zinc/26/87/09/680268709.db2.gz NCNWCEMYZVPBQO-VYDXJSESSA-N 1 2 364.515 2.156 20 30 FEEDLO C=C(Cl)C(C)(C)C(=O)N1CC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000982799337 680287815 /nfs/dbraw/zinc/28/78/15/680287815.db2.gz FBLLXDCISKKAAM-BFHYXJOUSA-N 1 2 364.877 2.257 20 30 FEEDLO C=C(Cl)C(C)(C)C(=O)N1CC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000982799337 680287821 /nfs/dbraw/zinc/28/78/21/680287821.db2.gz FBLLXDCISKKAAM-BFHYXJOUSA-N 1 2 364.877 2.257 20 30 FEEDLO C=C(C)CN(CC)C(=O)[C@H](C)OC(=O)[C@@H]([NH2+]C1CCOCC1)C(C)C ZINC000754510286 680360543 /nfs/dbraw/zinc/36/05/43/680360543.db2.gz ODZOVFZUFKNWPY-RDJZCZTQSA-N 1 2 354.491 2.136 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1C[NH+](Cc2c(Cl)cccc2OC)C1 ZINC001031986754 680410423 /nfs/dbraw/zinc/41/04/23/680410423.db2.gz DSHOHZBCIZWLFX-PBHICJAKSA-N 1 2 364.873 2.488 20 30 FEEDLO C=C(Br)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCO[C@H]2C2CC2)C1 ZINC001033282737 680421286 /nfs/dbraw/zinc/42/12/86/680421286.db2.gz KKJBBUHCHVKFNE-KFWWJZLASA-N 1 2 357.292 2.243 20 30 FEEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCO[C@H]2C2CC2)C1 ZINC001033282737 680421288 /nfs/dbraw/zinc/42/12/88/680421288.db2.gz KKJBBUHCHVKFNE-KFWWJZLASA-N 1 2 357.292 2.243 20 30 FEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)C1 ZINC001035606845 680450975 /nfs/dbraw/zinc/45/09/75/680450975.db2.gz JGJKPJWWMBUTHU-CWRNSKLLSA-N 1 2 350.409 2.461 20 30 FEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)C1 ZINC001035606845 680450976 /nfs/dbraw/zinc/45/09/76/680450976.db2.gz JGJKPJWWMBUTHU-CWRNSKLLSA-N 1 2 350.409 2.461 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@]1(C)CC[N@H+](CC(=C)Br)C1 ZINC001046320762 680645773 /nfs/dbraw/zinc/64/57/73/680645773.db2.gz ZIPLPFLBRCGPRO-YCPHGPKFSA-N 1 2 357.292 2.457 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@]1(C)CC[N@@H+](CC(=C)Br)C1 ZINC001046320762 680645774 /nfs/dbraw/zinc/64/57/74/680645774.db2.gz ZIPLPFLBRCGPRO-YCPHGPKFSA-N 1 2 357.292 2.457 20 30 FEEDLO C=C(Br)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCO[C@H]2C2CC2)C1 ZINC001046504771 680649972 /nfs/dbraw/zinc/64/99/72/680649972.db2.gz KKKOGGUOOINCLL-IJEWVQPXSA-N 1 2 357.292 2.291 20 30 FEEDLO C=C(Br)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCO[C@H]2C2CC2)C1 ZINC001046504771 680649974 /nfs/dbraw/zinc/64/99/74/680649974.db2.gz KKKOGGUOOINCLL-IJEWVQPXSA-N 1 2 357.292 2.291 20 30 FEEDLO N#Cc1csc(COC(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000842080693 680925420 /nfs/dbraw/zinc/92/54/20/680925420.db2.gz IESYBQKSAKSQIW-INIZCTEOSA-N 1 2 357.435 2.349 20 30 FEEDLO N#Cc1csc(COC(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000842080693 680925421 /nfs/dbraw/zinc/92/54/21/680925421.db2.gz IESYBQKSAKSQIW-INIZCTEOSA-N 1 2 357.435 2.349 20 30 FEEDLO C#CC[C@@H]1NC(=O)N([C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)C1=O ZINC000842244037 680934415 /nfs/dbraw/zinc/93/44/15/680934415.db2.gz PGROYMAITKVYII-HOCLYGCPSA-N 1 2 363.820 2.387 20 30 FEEDLO C#CC[C@@H]1NC(=O)N([C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)C1=O ZINC000842244037 680934417 /nfs/dbraw/zinc/93/44/17/680934417.db2.gz PGROYMAITKVYII-HOCLYGCPSA-N 1 2 363.820 2.387 20 30 FEEDLO C#CC[C@H]1NC(=O)N([C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)C1=O ZINC000842244034 680934428 /nfs/dbraw/zinc/93/44/28/680934428.db2.gz PGROYMAITKVYII-GDBMZVCRSA-N 1 2 363.820 2.387 20 30 FEEDLO C#CC[C@H]1NC(=O)N([C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)C1=O ZINC000842244034 680934430 /nfs/dbraw/zinc/93/44/30/680934430.db2.gz PGROYMAITKVYII-GDBMZVCRSA-N 1 2 363.820 2.387 20 30 FEEDLO C#C[C@H](C)[N@H+](C)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F ZINC000769978044 681002301 /nfs/dbraw/zinc/00/23/01/681002301.db2.gz OBCCLSMVFJEAJR-SMDDNHRTSA-N 1 2 353.344 2.246 20 30 FEEDLO C#C[C@H](C)[N@@H+](C)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F ZINC000769978044 681002302 /nfs/dbraw/zinc/00/23/02/681002302.db2.gz OBCCLSMVFJEAJR-SMDDNHRTSA-N 1 2 353.344 2.246 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CC[NH+]([C@H](C)c1csnn1)CC2 ZINC001050670357 681053220 /nfs/dbraw/zinc/05/32/20/681053220.db2.gz JNCSIEOXTVXXCN-FMKPAKJESA-N 1 2 362.499 2.115 20 30 FEEDLO C=C(Cl)CN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3OCC[C@H]3C(C)C)C2)CC1 ZINC001052027511 681070656 /nfs/dbraw/zinc/07/06/56/681070656.db2.gz GXEIHGRAKNXBND-BZSNNMDCSA-N 1 2 369.937 2.019 20 30 FEEDLO CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000773978936 681163129 /nfs/dbraw/zinc/16/31/29/681163129.db2.gz DPQOMGTXFMFBSZ-UONOGXRCSA-N 1 2 361.467 2.170 20 30 FEEDLO CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000773978936 681163131 /nfs/dbraw/zinc/16/31/31/681163131.db2.gz DPQOMGTXFMFBSZ-UONOGXRCSA-N 1 2 361.467 2.170 20 30 FEEDLO N#Cc1cnc(N[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)c(Cl)c1 ZINC001059107934 681179108 /nfs/dbraw/zinc/17/91/08/681179108.db2.gz MSOAWIPGOLFLPO-YNEHKIRRSA-N 1 2 356.817 2.146 20 30 FEEDLO N#Cc1cnc(N[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)c(Cl)c1 ZINC001059107934 681179109 /nfs/dbraw/zinc/17/91/09/681179109.db2.gz MSOAWIPGOLFLPO-YNEHKIRRSA-N 1 2 356.817 2.146 20 30 FEEDLO CCOC(=O)[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000932645587 681276280 /nfs/dbraw/zinc/27/62/80/681276280.db2.gz XVAVWRPERYSNQD-RYUDHWBXSA-N 1 2 361.467 2.320 20 30 FEEDLO CCOC(=O)[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000932645587 681276284 /nfs/dbraw/zinc/27/62/84/681276284.db2.gz XVAVWRPERYSNQD-RYUDHWBXSA-N 1 2 361.467 2.320 20 30 FEEDLO COC(=O)c1cccc(C[NH+]2CCC(CO)(C(F)(F)F)CC2)c1C#N ZINC000932827626 681318178 /nfs/dbraw/zinc/31/81/78/681318178.db2.gz FXJGDEOHVYMRED-UHFFFAOYSA-N 1 2 356.344 2.482 20 30 FEEDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)N[C@H](CC#N)C(F)(F)F)CC1 ZINC000932919407 681328339 /nfs/dbraw/zinc/32/83/39/681328339.db2.gz HZBQPBBWVOGTDJ-TZMCWYRMSA-N 1 2 355.364 2.314 20 30 FEEDLO CN(C)C(=O)C[N@@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932939471 681331546 /nfs/dbraw/zinc/33/15/46/681331546.db2.gz GQBZZJMJROIZLD-KNVOCYPGSA-N 1 2 354.241 2.177 20 30 FEEDLO CN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932939471 681331549 /nfs/dbraw/zinc/33/15/49/681331549.db2.gz GQBZZJMJROIZLD-KNVOCYPGSA-N 1 2 354.241 2.177 20 30 FEEDLO Cn1cc([C@@H]2CSCCC[N@@H+]2CC(=O)Nc2cccc(C#N)c2)cn1 ZINC000933986141 681492842 /nfs/dbraw/zinc/49/28/42/681492842.db2.gz OZRFPMIUKUEIGC-KRWDZBQOSA-N 1 2 355.467 2.410 20 30 FEEDLO Cn1cc([C@@H]2CSCCC[N@H+]2CC(=O)Nc2cccc(C#N)c2)cn1 ZINC000933986141 681492845 /nfs/dbraw/zinc/49/28/45/681492845.db2.gz OZRFPMIUKUEIGC-KRWDZBQOSA-N 1 2 355.467 2.410 20 30 FEEDLO Cc1c2c(ccc1Br)C(=NNCCCn1cc[nH+]c1)C(=O)N2 ZINC000848416258 681537246 /nfs/dbraw/zinc/53/72/46/681537246.db2.gz FAGYBNOMWXXOHH-UHFFFAOYSA-N 1 2 362.231 2.290 20 30 FEEDLO Cn1cc(C[N@H+](C)CC(C)(C)S(C)(=O)=O)c(-c2ccc(C#N)cc2)n1 ZINC000779026636 681672795 /nfs/dbraw/zinc/67/27/95/681672795.db2.gz XMAPDMIIXWSCKY-UHFFFAOYSA-N 1 2 360.483 2.214 20 30 FEEDLO Cn1cc(C[N@@H+](C)CC(C)(C)S(C)(=O)=O)c(-c2ccc(C#N)cc2)n1 ZINC000779026636 681672799 /nfs/dbraw/zinc/67/27/99/681672799.db2.gz XMAPDMIIXWSCKY-UHFFFAOYSA-N 1 2 360.483 2.214 20 30 FEEDLO Cc1[nH]c(CNc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)[nH+]c1C ZINC000850303770 681882616 /nfs/dbraw/zinc/88/26/16/681882616.db2.gz ZFRGUZLRAUGJIC-HEHNFIMWSA-N 1 2 361.471 2.451 20 30 FEEDLO C=CCN(CC=C)C(=O)CO[NH+]=C(N)c1ccc(Br)cc1 ZINC000782948578 682097830 /nfs/dbraw/zinc/09/78/30/682097830.db2.gz LMQJDGOHIZCERD-UHFFFAOYSA-N 1 2 352.232 2.287 20 30 FEEDLO COC(=O)NC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000852767526 682340098 /nfs/dbraw/zinc/34/00/98/682340098.db2.gz DQUDNZPKTURQBM-NSHDSACASA-N 1 2 364.833 2.359 20 30 FEEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)OCC[N@@H+]1CCC[C@@H]1C(=O)OC(C)(C)C ZINC000786541790 682384785 /nfs/dbraw/zinc/38/47/85/682384785.db2.gz RCHQGRQMGINMKY-BZUAXINKSA-N 1 2 353.459 2.317 20 30 FEEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)OCC[N@H+]1CCC[C@@H]1C(=O)OC(C)(C)C ZINC000786541790 682384791 /nfs/dbraw/zinc/38/47/91/682384791.db2.gz RCHQGRQMGINMKY-BZUAXINKSA-N 1 2 353.459 2.317 20 30 FEEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3cccc(Cl)c3)C2)C1 ZINC000972591626 682424746 /nfs/dbraw/zinc/42/47/46/682424746.db2.gz CSXVTZKBLMXMCX-NSHGMRRFSA-N 1 2 358.869 2.380 20 30 FEEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3cccc(Cl)c3)C2)C1 ZINC000972591626 682424752 /nfs/dbraw/zinc/42/47/52/682424752.db2.gz CSXVTZKBLMXMCX-NSHGMRRFSA-N 1 2 358.869 2.380 20 30 FEEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3cccc(Cl)c3)C2)C1 ZINC000972591625 682424923 /nfs/dbraw/zinc/42/49/23/682424923.db2.gz CSXVTZKBLMXMCX-NLWGTHIKSA-N 1 2 358.869 2.380 20 30 FEEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3cccc(Cl)c3)C2)C1 ZINC000972591625 682424925 /nfs/dbraw/zinc/42/49/25/682424925.db2.gz CSXVTZKBLMXMCX-NLWGTHIKSA-N 1 2 358.869 2.380 20 30 FEEDLO C#CCC[N@@H+](CCOC)Cn1c2ccc(Br)cc2oc1=O ZINC000853620102 682446609 /nfs/dbraw/zinc/44/66/09/682446609.db2.gz RQUJNXIGVPDQDC-UHFFFAOYSA-N 1 2 353.216 2.286 20 30 FEEDLO C#CCC[N@H+](CCOC)Cn1c2ccc(Br)cc2oc1=O ZINC000853620102 682446612 /nfs/dbraw/zinc/44/66/12/682446612.db2.gz RQUJNXIGVPDQDC-UHFFFAOYSA-N 1 2 353.216 2.286 20 30 FEEDLO C#CCn1ccc(C[N@H+](CCOC)C[C@H](O)c2ccc(F)cc2Cl)n1 ZINC000789323726 682593603 /nfs/dbraw/zinc/59/36/03/682593603.db2.gz RAYVRIMPIYEPSP-SFHVURJKSA-N 1 2 365.836 2.491 20 30 FEEDLO C#CCn1ccc(C[N@@H+](CCOC)C[C@H](O)c2ccc(F)cc2Cl)n1 ZINC000789323726 682593604 /nfs/dbraw/zinc/59/36/04/682593604.db2.gz RAYVRIMPIYEPSP-SFHVURJKSA-N 1 2 365.836 2.491 20 30 FEEDLO C=C(C)CNC(=S)N1CC[C@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000795157769 683024524 /nfs/dbraw/zinc/02/45/24/683024524.db2.gz PQNRHUYISJDHIW-HNNXBMFYSA-N 1 2 368.547 2.064 20 30 FEEDLO N#CCc1ccccc1S(=O)(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000920615066 683355646 /nfs/dbraw/zinc/35/56/46/683355646.db2.gz JJNBSMVVFWPBOU-UHFFFAOYSA-N 1 2 356.451 2.413 20 30 FEEDLO N#Cc1ccc(CS(=O)(=O)N2CCC(Nc3cccc[nH+]3)CC2)cc1 ZINC000920631895 683357630 /nfs/dbraw/zinc/35/76/30/683357630.db2.gz OIAIJUOCMAOXPT-UHFFFAOYSA-N 1 2 356.451 2.360 20 30 FEEDLO C=CC[C@@H](CC)NC(=O)N1CC[N@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000798495701 683359048 /nfs/dbraw/zinc/35/90/48/683359048.db2.gz IZODKSDLSURLKL-HUUCEWRRSA-N 1 2 354.495 2.191 20 30 FEEDLO C=CC[C@@H](CC)NC(=O)N1CC[N@@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000798495701 683359053 /nfs/dbraw/zinc/35/90/53/683359053.db2.gz IZODKSDLSURLKL-HUUCEWRRSA-N 1 2 354.495 2.191 20 30 FEEDLO N#CCc1ccsc1C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000864825676 683895617 /nfs/dbraw/zinc/89/56/17/683895617.db2.gz PTMPRZMLTFUFRY-UHFFFAOYSA-N 1 2 354.479 2.366 20 30 FEEDLO N#C[C@@H](NC(=O)/C=C\C[NH+]1CCOCC1)c1cccc(Br)c1 ZINC000865079031 683932724 /nfs/dbraw/zinc/93/27/24/683932724.db2.gz ZZJKHAWLSCJXME-ZSQCLPQSSA-N 1 2 364.243 2.018 20 30 FEEDLO O=C(/C=C\C[NH+]1CCOCC1)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000866327323 684092316 /nfs/dbraw/zinc/09/23/16/684092316.db2.gz AHERBXKXTSINSK-RQOWECAXSA-N 1 2 352.356 2.062 20 30 FEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 ZINC000872296569 684935591 /nfs/dbraw/zinc/93/55/91/684935591.db2.gz RLKOEXAZFQGIFF-MCIONIFRSA-N 1 2 371.865 2.253 20 30 FEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 ZINC000872296569 684935595 /nfs/dbraw/zinc/93/55/95/684935595.db2.gz RLKOEXAZFQGIFF-MCIONIFRSA-N 1 2 371.865 2.253 20 30 FEEDLO C=CC[N@H+](CN1CC2(CC1=O)CCC1(CC2)OCCO1)[C@@H](C)COC ZINC000872624079 684991253 /nfs/dbraw/zinc/99/12/53/684991253.db2.gz HMWMLAMEVQRPCP-INIZCTEOSA-N 1 2 352.475 2.003 20 30 FEEDLO C=CC[N@@H+](CN1CC2(CC1=O)CCC1(CC2)OCCO1)[C@@H](C)COC ZINC000872624079 684991254 /nfs/dbraw/zinc/99/12/54/684991254.db2.gz HMWMLAMEVQRPCP-INIZCTEOSA-N 1 2 352.475 2.003 20 30 FEEDLO C#CC[NH+]1CCN(c2nnc(-c3nc4ccccc4s3)n2CC)CC1 ZINC000873678254 685188613 /nfs/dbraw/zinc/18/86/13/685188613.db2.gz PCFYZIMQRRJWCH-UHFFFAOYSA-N 1 2 352.467 2.330 20 30 FEEDLO C[C@@H]1C[N@@H+](C[C@@H](O)c2ccccc2Br)C[C@H](C)N1CC#N ZINC000878772106 686655165 /nfs/dbraw/zinc/65/51/65/686655165.db2.gz FOWJAOKEXNVAQX-DVOMOZLQSA-N 1 2 352.276 2.401 20 30 FEEDLO C[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2Br)C[C@H](C)N1CC#N ZINC000878772106 686655167 /nfs/dbraw/zinc/65/51/67/686655167.db2.gz FOWJAOKEXNVAQX-DVOMOZLQSA-N 1 2 352.276 2.401 20 30 FEEDLO N#Cc1nc(NC(=O)N[C@H]2CCn3cc[nH+]c3C2)ccc1Br ZINC000883104044 687566239 /nfs/dbraw/zinc/56/62/39/687566239.db2.gz NFFOALNXNDSGFB-VIFPVBQESA-N 1 2 361.203 2.049 20 30 FEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1CCCOc2cc(Cl)ccc21 ZINC000884331542 687849846 /nfs/dbraw/zinc/84/98/46/687849846.db2.gz QRRDBQVOJWLBRW-KBPBESRZSA-N 1 2 352.818 2.117 20 30 FEEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(SC(F)F)cc2)C1 ZINC000891608425 689082974 /nfs/dbraw/zinc/08/29/74/689082974.db2.gz WGCVWYVXSBLTNP-CYBMUJFWSA-N 1 2 367.421 2.154 20 30 FEEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(SC(F)F)cc2)C1 ZINC000891608425 689082979 /nfs/dbraw/zinc/08/29/79/689082979.db2.gz WGCVWYVXSBLTNP-CYBMUJFWSA-N 1 2 367.421 2.154 20 30 FEEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000891608523 689083269 /nfs/dbraw/zinc/08/32/69/689083269.db2.gz YWURCPJGFYZRBO-GFCCVEGCSA-N 1 2 354.237 2.146 20 30 FEEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000891608523 689083272 /nfs/dbraw/zinc/08/32/72/689083272.db2.gz YWURCPJGFYZRBO-GFCCVEGCSA-N 1 2 354.237 2.146 20 30 FEEDLO C=CCNS(=O)(=O)c1ccccc1NCc1nc(C[NH+](C)C)cs1 ZINC000895479886 689723741 /nfs/dbraw/zinc/72/37/41/689723741.db2.gz WRPMTKKNQIVJSJ-UHFFFAOYSA-N 1 2 366.512 2.281 20 30 FEEDLO COC(=O)C1([C@@]2(O)CCC[N@H+](Cc3cc(C#N)cnc3Cl)C2)CCC1 ZINC000897702497 690067121 /nfs/dbraw/zinc/06/71/21/690067121.db2.gz PGZACRJQPXBFET-GOSISDBHSA-N 1 2 363.845 2.277 20 30 FEEDLO COC(=O)C1([C@@]2(O)CCC[N@@H+](Cc3cc(C#N)cnc3Cl)C2)CCC1 ZINC000897702497 690067126 /nfs/dbraw/zinc/06/71/26/690067126.db2.gz PGZACRJQPXBFET-GOSISDBHSA-N 1 2 363.845 2.277 20 30 FEEDLO C=CCCn1cc(C[NH2+]Cc2cccc(NS(=O)(=O)C3CC3)c2)nn1 ZINC000898288481 690154771 /nfs/dbraw/zinc/15/47/71/690154771.db2.gz LEAUEPMFHWLXGY-UHFFFAOYSA-N 1 2 361.471 2.048 20 30 FEEDLO C[C@@H]1CC(N[NH+]=Cc2c(Cl)nc(N)nc2N2CCCC2)C[C@@H](C)O1 ZINC000901310171 690634514 /nfs/dbraw/zinc/63/45/14/690634514.db2.gz HYQUMYWXJUGPIA-GHMZBOCLSA-N 1 2 352.870 2.192 20 30 FEEDLO COc1cc([C@@H](C)[NH2+]Cc2nc(C#N)cs2)ccc1S(C)(=O)=O ZINC000903265184 690876751 /nfs/dbraw/zinc/87/67/51/690876751.db2.gz YKBJFFXAFIMNSN-SNVBAGLBSA-N 1 2 351.453 2.278 20 30 FEEDLO N#Cc1c(F)cccc1-n1ccc(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)n1 ZINC000512139094 808425795 /nfs/dbraw/zinc/42/57/95/808425795.db2.gz OVMDTHWIZJIUPS-GFCCVEGCSA-N 1 2 350.357 2.281 20 30 FEEDLO N#Cc1cccc(NC(=O)C[NH+]2CCC(NC(=O)c3ccccc3)CC2)c1 ZINC000011095634 539524155 /nfs/dbraw/zinc/52/41/55/539524155.db2.gz QNTULQSABSSZHM-UHFFFAOYSA-N 1 2 362.433 2.391 20 30 FEEDLO CCN1C[C@H](C[N@H+](C)CC(=O)N[C@@](C)(C#N)C2CC2)Oc2ccccc21 ZINC000011193453 539525107 /nfs/dbraw/zinc/52/51/07/539525107.db2.gz LJSNXONDNCBWKY-JXFKEZNVSA-N 1 2 356.470 2.014 20 30 FEEDLO CCN1C[C@H](C[N@@H+](C)CC(=O)N[C@@](C)(C#N)C2CC2)Oc2ccccc21 ZINC000011193453 539525113 /nfs/dbraw/zinc/52/51/13/539525113.db2.gz LJSNXONDNCBWKY-JXFKEZNVSA-N 1 2 356.470 2.014 20 30 FEEDLO Cn1cc[nH+]c1[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)c1ccc(F)cc1 ZINC000016975785 539638331 /nfs/dbraw/zinc/63/83/31/539638331.db2.gz FQKQUTDMMCSSJV-KRWDZBQOSA-N 1 2 370.409 2.499 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@H]3COc4ccccc4C3)CC2)cc1 ZINC000017843756 539644248 /nfs/dbraw/zinc/64/42/48/539644248.db2.gz JVQASNYWFJEJGC-HXUWFJFHSA-N 1 2 361.445 2.454 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN([C@H](C(N)=O)c3ccc(F)cc3)CC2)cc1 ZINC000028963035 539840318 /nfs/dbraw/zinc/84/03/18/539840318.db2.gz PEOFJCIBLDDYNZ-IBGZPJMESA-N 1 2 352.413 2.042 20 30 FEEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCCN(C(=O)c3ccccc3)CC2)cc1 ZINC000029704230 539861579 /nfs/dbraw/zinc/86/15/79/539861579.db2.gz VRAUFPCQQDROPP-UHFFFAOYSA-N 1 2 362.433 2.345 20 30 FEEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCCN(C(=O)c3ccccc3)CC2)cc1 ZINC000029704230 539861584 /nfs/dbraw/zinc/86/15/84/539861584.db2.gz VRAUFPCQQDROPP-UHFFFAOYSA-N 1 2 362.433 2.345 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCCN(C(=O)c2ccccc2)CC1 ZINC000029707314 539861860 /nfs/dbraw/zinc/86/18/60/539861860.db2.gz ADCFCPYHLJSJCA-UTKZUKDTSA-N 1 2 370.497 2.277 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCCN(C(=O)c2ccccc2)CC1 ZINC000029707314 539861862 /nfs/dbraw/zinc/86/18/62/539861862.db2.gz ADCFCPYHLJSJCA-UTKZUKDTSA-N 1 2 370.497 2.277 20 30 FEEDLO C[C@H](NC(=O)NCc1ccc[nH+]c1N1CCOCC1)c1ccc(C#N)cc1 ZINC000031122000 539898411 /nfs/dbraw/zinc/89/84/11/539898411.db2.gz WOIWOSQRRGEENU-HNNXBMFYSA-N 1 2 365.437 2.350 20 30 FEEDLO C=CCN(CC=C)C(=O)C[NH+]1CCN(Cc2cc(OC)ccc2OC)CC1 ZINC000042365437 540060758 /nfs/dbraw/zinc/06/07/58/540060758.db2.gz NVDHDOOSMGIQTB-UHFFFAOYSA-N 1 2 373.497 2.022 20 30 FEEDLO Cc1nc(CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cs1 ZINC000045344828 540209987 /nfs/dbraw/zinc/20/99/87/540209987.db2.gz GEXLRUNHXYKZMJ-UHFFFAOYSA-N 1 2 355.467 2.351 20 30 FEEDLO CCCNC(=O)[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000050996874 540418716 /nfs/dbraw/zinc/41/87/16/540418716.db2.gz FAQZLJQPKOATAC-DZGCQCFKSA-N 1 2 360.458 2.333 20 30 FEEDLO CCCNC(=O)[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000050996874 540418718 /nfs/dbraw/zinc/41/87/18/540418718.db2.gz FAQZLJQPKOATAC-DZGCQCFKSA-N 1 2 360.458 2.333 20 30 FEEDLO COc1ccccc1C[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)C[C@@H]1CCCO1 ZINC000051798966 540444349 /nfs/dbraw/zinc/44/43/49/540444349.db2.gz HOPFTHNDBBPWOE-GHTZIAJQSA-N 1 2 371.481 2.485 20 30 FEEDLO COc1ccccc1C[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)C[C@@H]1CCCO1 ZINC000051798966 540444352 /nfs/dbraw/zinc/44/43/52/540444352.db2.gz HOPFTHNDBBPWOE-GHTZIAJQSA-N 1 2 371.481 2.485 20 30 FEEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)c2occc2Br)c1C#N ZINC000536299330 540576667 /nfs/dbraw/zinc/57/66/67/540576667.db2.gz GIDORMXKBZCPCE-UHFFFAOYSA-N 1 2 352.192 2.041 20 30 FEEDLO CCCN(CC#N)C(=O)c1ccc(S(=O)(=O)Nc2cc[nH+]cc2)cc1 ZINC000056485206 540730079 /nfs/dbraw/zinc/73/00/79/540730079.db2.gz BGTZVCANKWIIPE-UHFFFAOYSA-N 1 2 358.423 2.258 20 30 FEEDLO C#CCN(CC)C(=O)N[C@@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1 ZINC000056583035 540734992 /nfs/dbraw/zinc/73/49/92/540734992.db2.gz KPORAUUPEPQRMC-QGZVFWFLSA-N 1 2 356.426 2.191 20 30 FEEDLO CN(CC(=O)Nc1cccc(C#N)c1)Cc1[nH+]ccn1CC(F)(F)F ZINC000057844374 540818804 /nfs/dbraw/zinc/81/88/04/540818804.db2.gz LAUKEEJHSZRUCD-UHFFFAOYSA-N 1 2 351.332 2.388 20 30 FEEDLO Cc1cc(N2CCN(c3ccc(C#N)cn3)CC2)nc(-c2ccncc2)[nH+]1 ZINC000057827992 540817905 /nfs/dbraw/zinc/81/79/05/540817905.db2.gz VFNAXABQFVNKDQ-UHFFFAOYSA-N 1 2 357.421 2.440 20 30 FEEDLO Cc1nn(C)c(C)c1[C@@H](C)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000058782607 540855688 /nfs/dbraw/zinc/85/56/88/540855688.db2.gz OFNVWYINPDLUKJ-OAHLLOKOSA-N 1 2 365.481 2.357 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1cccc(Br)c1 ZINC000060633936 541119845 /nfs/dbraw/zinc/11/98/45/541119845.db2.gz XLWTXTYLEZQAKO-UHFFFAOYSA-N 1 2 366.259 2.137 20 30 FEEDLO Cn1cc[nH+]c1CNC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC000541096842 541149482 /nfs/dbraw/zinc/14/94/82/541149482.db2.gz AEYAUJQPFQQBFS-UHFFFAOYSA-N 1 2 355.789 2.453 20 30 FEEDLO C=CC[N@H+](CC(=O)NC(=O)NCc1ccco1)Cc1cccc(C#N)c1 ZINC000063300856 541163746 /nfs/dbraw/zinc/16/37/46/541163746.db2.gz MGAQWKUUEXHFDG-UHFFFAOYSA-N 1 2 352.394 2.165 20 30 FEEDLO C=CC[N@@H+](CC(=O)NC(=O)NCc1ccco1)Cc1cccc(C#N)c1 ZINC000063300856 541163749 /nfs/dbraw/zinc/16/37/49/541163749.db2.gz MGAQWKUUEXHFDG-UHFFFAOYSA-N 1 2 352.394 2.165 20 30 FEEDLO Cc1occc1C(=O)NC1CC[NH+](CC(=O)Nc2cccc(C#N)c2)CC1 ZINC000066891460 541386678 /nfs/dbraw/zinc/38/66/78/541386678.db2.gz VUWBMSOHEIFWBC-UHFFFAOYSA-N 1 2 366.421 2.293 20 30 FEEDLO Cc1occc1C(=O)NC1CC[NH+](CC(=O)Nc2sccc2C#N)CC1 ZINC000066890807 541386682 /nfs/dbraw/zinc/38/66/82/541386682.db2.gz ASWKISPBPNBMOQ-UHFFFAOYSA-N 1 2 372.450 2.354 20 30 FEEDLO C=C(C)COc1cccc(NC(=O)C(=O)NCc2ccc[nH+]c2N(C)C)c1 ZINC000067497295 541472422 /nfs/dbraw/zinc/47/24/22/541472422.db2.gz UOMZFUVFXQWPKD-UHFFFAOYSA-N 1 2 368.437 2.357 20 30 FEEDLO Cc1cc(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)nn1[C@H](C)C1CC1 ZINC000543314719 541570851 /nfs/dbraw/zinc/57/08/51/541570851.db2.gz DMTZZVCMAVKHON-MRXNPFEDSA-N 1 2 374.489 2.242 20 30 FEEDLO CCn1cc(C[N@H+](C)CC(=O)Nc2c(C#N)cnn2-c2ccccc2)cn1 ZINC000072982212 541903654 /nfs/dbraw/zinc/90/36/54/541903654.db2.gz MXNHOLOIBUMFDK-UHFFFAOYSA-N 1 2 363.425 2.031 20 30 FEEDLO CCn1cc(C[N@@H+](C)CC(=O)Nc2c(C#N)cnn2-c2ccccc2)cn1 ZINC000072982212 541903658 /nfs/dbraw/zinc/90/36/58/541903658.db2.gz MXNHOLOIBUMFDK-UHFFFAOYSA-N 1 2 363.425 2.031 20 30 FEEDLO Cc1nc(CN2CC[NH+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC2)cs1 ZINC000073368576 541948069 /nfs/dbraw/zinc/94/80/69/541948069.db2.gz DNVYFZKFAGEZQU-KSSFIOAISA-N 1 2 363.531 2.012 20 30 FEEDLO CCC(CC)CN(CCC#N)C(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000073428603 541952613 /nfs/dbraw/zinc/95/26/13/541952613.db2.gz IAQLVPWDBNJYLD-UHFFFAOYSA-N 1 2 357.502 2.382 20 30 FEEDLO CSc1[nH]c(=O)c(C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)cc1C#N ZINC000074344451 542071369 /nfs/dbraw/zinc/07/13/69/542071369.db2.gz HJZQYNJHDFUYBB-OAHLLOKOSA-N 1 2 370.478 2.283 20 30 FEEDLO CCC[N@H+](CC(=O)Nc1ccccc1OC)CC(=O)N[C@](C)(C#N)C(C)C ZINC000042979042 208299151 /nfs/dbraw/zinc/29/91/51/208299151.db2.gz OETFJOLKBGUFQU-HXUWFJFHSA-N 1 2 374.485 2.400 20 30 FEEDLO CCC[N@@H+](CC(=O)Nc1ccccc1OC)CC(=O)N[C@](C)(C#N)C(C)C ZINC000042979042 208299157 /nfs/dbraw/zinc/29/91/57/208299157.db2.gz OETFJOLKBGUFQU-HXUWFJFHSA-N 1 2 374.485 2.400 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccc(Br)cc1 ZINC000078681293 542475857 /nfs/dbraw/zinc/47/58/57/542475857.db2.gz VNRNJHIUXXJXPO-UHFFFAOYSA-N 1 2 352.276 2.497 20 30 FEEDLO Cc1ccc(-c2noc(CN(CCC#N)CC[NH+]3CCOCC3)n2)cc1 ZINC000078687832 542476419 /nfs/dbraw/zinc/47/64/19/542476419.db2.gz KESRFIHDIXXOOV-UHFFFAOYSA-N 1 2 355.442 2.093 20 30 FEEDLO C[C@H](CCc1cccc(F)c1)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000079844625 542544914 /nfs/dbraw/zinc/54/49/14/542544914.db2.gz PAJCMMFUBMIISX-QGZVFWFLSA-N 1 2 361.461 2.469 20 30 FEEDLO COC(=O)[C@H](NC1CC[NH+](Cc2cscn2)CC1)c1cccc(C#N)c1 ZINC000083047175 542691074 /nfs/dbraw/zinc/69/10/74/542691074.db2.gz XBQNIFDWQKXYER-GOSISDBHSA-N 1 2 370.478 2.483 20 30 FEEDLO C[C@@H]1CCC[C@@H](NC(=O)CN2CC[NH+](Cc3cc(C#N)cs3)CC2)C1 ZINC000093053559 542906025 /nfs/dbraw/zinc/90/60/25/542906025.db2.gz NVPNBEZLDPJPRM-NVXWUHKLSA-N 1 2 360.527 2.432 20 30 FEEDLO N#Cc1csc(C[NH+]2CCN(CCNC(=O)c3ccccc3F)CC2)c1 ZINC000093148824 542912866 /nfs/dbraw/zinc/91/28/66/542912866.db2.gz CTNXDSMZIQSMDQ-UHFFFAOYSA-N 1 2 372.469 2.306 20 30 FEEDLO COc1cc(C[N@H+](CCC#N)CC2CC2)cc(Cl)c1OCC(N)=O ZINC000093091345 542908929 /nfs/dbraw/zinc/90/89/29/542908929.db2.gz YIBPWIAONZEXMQ-UHFFFAOYSA-N 1 2 351.834 2.338 20 30 FEEDLO COc1cc(C[N@@H+](CCC#N)CC2CC2)cc(Cl)c1OCC(N)=O ZINC000093091345 542908933 /nfs/dbraw/zinc/90/89/33/542908933.db2.gz YIBPWIAONZEXMQ-UHFFFAOYSA-N 1 2 351.834 2.338 20 30 FEEDLO N#Cc1cccc(C[NH+]2CCN(C(=O)COc3ccc(F)cc3)CC2)c1 ZINC000097324913 543009356 /nfs/dbraw/zinc/00/93/56/543009356.db2.gz DBGYYDKDHXEKDW-UHFFFAOYSA-N 1 2 353.397 2.421 20 30 FEEDLO N#Cc1cc(F)ccc1CN1CC[NH+](CC(=O)NCc2ccccc2)CC1 ZINC000103139496 543094264 /nfs/dbraw/zinc/09/42/64/543094264.db2.gz XOEVJZUGCHLBNI-UHFFFAOYSA-N 1 2 366.440 2.131 20 30 FEEDLO C[C@H](CC#N)N(C)C(=O)c1ccc(S(=O)(=O)Nc2cc[nH+]cc2)cc1 ZINC000103442148 543107735 /nfs/dbraw/zinc/10/77/35/543107735.db2.gz DLEWGBLGHHJVQO-CYBMUJFWSA-N 1 2 358.423 2.257 20 30 FEEDLO CSc1[nH]c(=O)c(C(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)cc1C#N ZINC000111631478 543409516 /nfs/dbraw/zinc/40/95/16/543409516.db2.gz ORIWJTOETRWOAA-ZDUSSCGKSA-N 1 2 370.478 2.219 20 30 FEEDLO CSc1[nH]c(=O)c(C(=O)NC[C@H](C)[N@@H+](C)Cc2ccccc2)cc1C#N ZINC000111631478 543409519 /nfs/dbraw/zinc/40/95/19/543409519.db2.gz ORIWJTOETRWOAA-ZDUSSCGKSA-N 1 2 370.478 2.219 20 30 FEEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+](C)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000112360389 543443866 /nfs/dbraw/zinc/44/38/66/543443866.db2.gz PNMVRKFLUIWVFX-MAUKXSAKSA-N 1 2 359.445 2.452 20 30 FEEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+](C)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000112360389 543443867 /nfs/dbraw/zinc/44/38/67/543443867.db2.gz PNMVRKFLUIWVFX-MAUKXSAKSA-N 1 2 359.445 2.452 20 30 FEEDLO CC1CCN(C(=O)C2CC[NH+]([C@@H](C(N)=O)c3ccc(C#N)cc3)CC2)CC1 ZINC000115545237 543572126 /nfs/dbraw/zinc/57/21/26/543572126.db2.gz XWFZKLDLYPPFPX-LJQANCHMSA-N 1 2 368.481 2.055 20 30 FEEDLO C=CCCO[C@@H](C)C(=O)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000115998640 543595547 /nfs/dbraw/zinc/59/55/47/543595547.db2.gz OZLQXBUEAFSZKP-INIZCTEOSA-N 1 2 360.454 2.083 20 30 FEEDLO C=CC[C@H](C)NC(=O)CS(=O)(=O)Nc1ccc([NH+]2CCCCC2)cc1 ZINC000116860452 543618255 /nfs/dbraw/zinc/61/82/55/543618255.db2.gz NKFWPATVOOMDPG-HNNXBMFYSA-N 1 2 365.499 2.499 20 30 FEEDLO C[C@H](c1cccnc1)[NH+]1CCN([C@@H](C)C(=O)NC2(C#N)CCCCC2)CC1 ZINC000118835768 543659907 /nfs/dbraw/zinc/65/99/07/543659907.db2.gz YULGRTQNUAPSGO-MSOLQXFVSA-N 1 2 369.513 2.491 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1cc(Cl)c(N)c(Cl)c1 ZINC000119106041 543663618 /nfs/dbraw/zinc/66/36/18/543663618.db2.gz RMHPFRFBKFEEMW-UHFFFAOYSA-N 1 2 371.268 2.264 20 30 FEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000119619319 543670140 /nfs/dbraw/zinc/67/01/40/543670140.db2.gz ZAUSBHDMYXBIDQ-QUCCMNQESA-N 1 2 352.482 2.458 20 30 FEEDLO C=CCCS(=O)(=O)N(Cc1ccccc1)[C@@H](C)C[NH+]1CCOCC1 ZINC000120312034 543678114 /nfs/dbraw/zinc/67/81/14/543678114.db2.gz DKQBQWZEGSSUFW-KRWDZBQOSA-N 1 2 352.500 2.115 20 30 FEEDLO C=C(C)CN(CC)C(=O)C[NH+]1CCN(c2ncnc3ccsc32)CC1 ZINC000124366965 543817512 /nfs/dbraw/zinc/81/75/12/543817512.db2.gz GUAFSCFNCNHFTE-UHFFFAOYSA-N 1 2 359.499 2.238 20 30 FEEDLO C=CCOc1ccc(C[NH+]2CCN(Cc3nc(C)no3)CC2)cc1OC ZINC000125343796 543876472 /nfs/dbraw/zinc/87/64/72/543876472.db2.gz JIGXYMFKLIGLEZ-UHFFFAOYSA-N 1 2 358.442 2.269 20 30 FEEDLO CN(CC1CC1)C(=O)C[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000130822131 544166372 /nfs/dbraw/zinc/16/63/72/544166372.db2.gz RUILXFFAUXNHHF-UHFFFAOYSA-N 1 2 363.465 2.097 20 30 FEEDLO N#CCCN(Cc1ccccn1)C(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000133014963 544252746 /nfs/dbraw/zinc/25/27/46/544252746.db2.gz GKXVDOPKFDHMKI-UHFFFAOYSA-N 1 2 374.404 2.148 20 30 FEEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H](Oc2ccccc2Cl)C1 ZINC000133103245 544256297 /nfs/dbraw/zinc/25/62/97/544256297.db2.gz SBDQYWBWIVDJIN-CYBMUJFWSA-N 1 2 351.834 2.195 20 30 FEEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](Oc2ccccc2Cl)C1 ZINC000133103245 544256298 /nfs/dbraw/zinc/25/62/98/544256298.db2.gz SBDQYWBWIVDJIN-CYBMUJFWSA-N 1 2 351.834 2.195 20 30 FEEDLO CC[NH+](CC)[C@@H](CNC(=O)c1cc(C#N)c(SC)[nH]c1=O)CC(C)C ZINC000151346276 544531118 /nfs/dbraw/zinc/53/11/18/544531118.db2.gz NCMVLHBNCMYDOH-CQSZACIVSA-N 1 2 364.515 2.455 20 30 FEEDLO COCCN(c1cc[nH+]cc1)S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000152004360 544605109 /nfs/dbraw/zinc/60/51/09/544605109.db2.gz NEIFNBNGVDKSGO-UHFFFAOYSA-N 1 2 351.815 2.448 20 30 FEEDLO CCC[C@H]1C(=O)NCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000152465834 544657974 /nfs/dbraw/zinc/65/79/74/544657974.db2.gz MBGUANCGHGIAQC-AWEZNQCLSA-N 1 2 360.483 2.038 20 30 FEEDLO CCC[C@H]1C(=O)NCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000152465834 544657975 /nfs/dbraw/zinc/65/79/75/544657975.db2.gz MBGUANCGHGIAQC-AWEZNQCLSA-N 1 2 360.483 2.038 20 30 FEEDLO C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCN(c2ccc(F)cc2Cl)CC1 ZINC000153474983 544779935 /nfs/dbraw/zinc/77/99/35/544779935.db2.gz KQWUIIWRDQMRQC-ZDUSSCGKSA-N 1 2 352.841 2.362 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cnc(-c2ccccn2)s1 ZINC000154749129 544944408 /nfs/dbraw/zinc/94/44/08/544944408.db2.gz YCOROPRMQYNENW-UHFFFAOYSA-N 1 2 357.483 2.253 20 30 FEEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN(C(=O)Cc2ccccc2C)CC1 ZINC000155125426 544993599 /nfs/dbraw/zinc/99/35/99/544993599.db2.gz UFAGOLKQFMZABL-IBGZPJMESA-N 1 2 371.525 2.495 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)Cc1cn(C)nc1C(F)(F)F ZINC000155068739 544984149 /nfs/dbraw/zinc/98/41/49/544984149.db2.gz XPKBTRFPTOZADY-IAQYHMDHSA-N 1 2 359.396 2.314 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)Cc1cn(C)nc1C(F)(F)F ZINC000155068739 544984153 /nfs/dbraw/zinc/98/41/53/544984153.db2.gz XPKBTRFPTOZADY-IAQYHMDHSA-N 1 2 359.396 2.314 20 30 FEEDLO C[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCCCC#N)[C@H]1c1ccc(Cl)cc1 ZINC000553268926 674249737 /nfs/dbraw/zinc/24/97/37/674249737.db2.gz GCWCTWTUKSRWGI-HZPDHXFCSA-N 1 2 362.861 2.011 20 30 FEEDLO C[N@H+]1CC[C@@H](NC(=O)C(=O)NCCCCC#N)[C@H]1c1ccc(Cl)cc1 ZINC000553268926 674249741 /nfs/dbraw/zinc/24/97/41/674249741.db2.gz GCWCTWTUKSRWGI-HZPDHXFCSA-N 1 2 362.861 2.011 20 30 FEEDLO N#Cc1ccc(C2(C(=O)NCc3ccc[nH+]c3N3CCOCC3)CC2)cc1 ZINC000187663948 328038386 /nfs/dbraw/zinc/03/83/86/328038386.db2.gz NWMRJNQHTIWSKC-UHFFFAOYSA-N 1 2 362.433 2.138 20 30 FEEDLO Cc1cc(N2CCC(NC(=O)c3ccc(C#N)c(O)c3)CC2)nc(C)[nH+]1 ZINC000188616124 328099124 /nfs/dbraw/zinc/09/91/24/328099124.db2.gz CLMRSSHTBBCZHI-UHFFFAOYSA-N 1 2 351.410 2.070 20 30 FEEDLO C[C@H](C(=O)NCCC1=CCCCC1)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000193771222 328394083 /nfs/dbraw/zinc/39/40/83/328394083.db2.gz RMAYXVQPZYHPMU-QGZVFWFLSA-N 1 2 367.497 2.470 20 30 FEEDLO N#Cc1ccc(N2CC[NH+](CC(=O)N3CCC[C@@H]4CCCC[C@H]43)CC2)nc1 ZINC000193771897 328394410 /nfs/dbraw/zinc/39/44/10/328394410.db2.gz JVWLGSYOURJOQK-RBUKOAKNSA-N 1 2 367.497 2.256 20 30 FEEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+](CC(N)=O)C(C)C)c1C#N ZINC000078394657 325044974 /nfs/dbraw/zinc/04/49/74/325044974.db2.gz JIYRHQHLQAPNRD-UHFFFAOYSA-N 1 2 367.453 2.100 20 30 FEEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+](CC(N)=O)C(C)C)c1C#N ZINC000078394657 325044977 /nfs/dbraw/zinc/04/49/77/325044977.db2.gz JIYRHQHLQAPNRD-UHFFFAOYSA-N 1 2 367.453 2.100 20 30 FEEDLO C[N@H+](CC(=O)Nc1sccc1C#N)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000080746785 325142086 /nfs/dbraw/zinc/14/20/86/325142086.db2.gz HJRHOPIPSVCDEZ-ZDUSSCGKSA-N 1 2 364.471 2.499 20 30 FEEDLO C[N@@H+](CC(=O)Nc1sccc1C#N)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000080746785 325142088 /nfs/dbraw/zinc/14/20/88/325142088.db2.gz HJRHOPIPSVCDEZ-ZDUSSCGKSA-N 1 2 364.471 2.499 20 30 FEEDLO N#Cc1ccc(Cl)cc1NC(=O)C[NH+]1CCC(N2CCCC2=O)CC1 ZINC000104728469 325543741 /nfs/dbraw/zinc/54/37/41/325543741.db2.gz ZJXGQLPMILAHJJ-UHFFFAOYSA-N 1 2 360.845 2.237 20 30 FEEDLO CC(C)(C)OC(=O)N[C@H]1CC[N@@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000120056108 326225813 /nfs/dbraw/zinc/22/58/13/326225813.db2.gz QDSYMQALGYVSOR-RDJZCZTQSA-N 1 2 370.453 2.263 20 30 FEEDLO CC(C)(C)OC(=O)N[C@H]1CC[N@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000120056108 326225816 /nfs/dbraw/zinc/22/58/16/326225816.db2.gz QDSYMQALGYVSOR-RDJZCZTQSA-N 1 2 370.453 2.263 20 30 FEEDLO C[NH+](C)[C@H](CNS(=O)(=O)Cc1cc(C#N)ccc1F)c1ccco1 ZINC000120419665 326257242 /nfs/dbraw/zinc/25/72/42/326257242.db2.gz SKLMBQSNJPLTRO-OAHLLOKOSA-N 1 2 351.403 2.013 20 30 FEEDLO COc1cc(C#N)ccc1CN1CC[NH+](CC(=O)N2CCCC[C@H]2C)CC1 ZINC000120480711 326262220 /nfs/dbraw/zinc/26/22/20/326262220.db2.gz SYBYIWOJFGRRQP-QGZVFWFLSA-N 1 2 370.497 2.085 20 30 FEEDLO CCOC(=O)[C@H]1CCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000120543665 326267345 /nfs/dbraw/zinc/26/73/45/326267345.db2.gz FLPQRWSAAFYCHJ-CQSZACIVSA-N 1 2 361.467 2.465 20 30 FEEDLO CCOC(=O)[C@H]1CCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000120543665 326267347 /nfs/dbraw/zinc/26/73/47/326267347.db2.gz FLPQRWSAAFYCHJ-CQSZACIVSA-N 1 2 361.467 2.465 20 30 FEEDLO C[C@@H]1C[C@H](C)CN(C(=O)CN2CC[NH+](Cc3ccc(C#N)s3)CC2)C1 ZINC000121406497 326336404 /nfs/dbraw/zinc/33/64/04/326336404.db2.gz DRYITSXSSAEHNC-IYBDPMFKSA-N 1 2 360.527 2.242 20 30 FEEDLO CC(C)CNC(=O)[C@@H](C)[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000130850514 326564563 /nfs/dbraw/zinc/56/45/63/326564563.db2.gz DKFLSQXEQYFHQI-MRXNPFEDSA-N 1 2 365.481 2.389 20 30 FEEDLO C[C@H]1CCN(C(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)C[C@H]1n1cc[nH+]c1 ZINC000151420217 326681970 /nfs/dbraw/zinc/68/19/70/326681970.db2.gz RBJZDHJSRXMVSI-BLLLJJGKSA-N 1 2 371.828 2.456 20 30 FEEDLO COc1ccc(OC(F)F)c(C[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)c1 ZINC000151693601 326688917 /nfs/dbraw/zinc/68/89/17/326688917.db2.gz GGIVAFXPJJGOQI-MRXNPFEDSA-N 1 2 361.348 2.484 20 30 FEEDLO CSc1[nH]c(=O)c(C(=O)N2CCC(CCC[NH+](C)C)CC2)cc1C#N ZINC000153787640 326742719 /nfs/dbraw/zinc/74/27/19/326742719.db2.gz OJMYRGLZYTXYKW-UHFFFAOYSA-N 1 2 362.499 2.162 20 30 FEEDLO N#Cc1ccc(F)cc1CN1CC[NH+](CC(=O)NCc2ccccc2)CC1 ZINC000158317914 326892058 /nfs/dbraw/zinc/89/20/58/326892058.db2.gz PPULMLSFIZVTQQ-UHFFFAOYSA-N 1 2 366.440 2.131 20 30 FEEDLO CC(C)N(C)C(=O)[C@H](C)[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000175143066 327376444 /nfs/dbraw/zinc/37/64/44/327376444.db2.gz KILZNZXGCBPGPD-INIZCTEOSA-N 1 2 365.481 2.484 20 30 FEEDLO CC(C)N1CC[C@@H]([NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)C1=O ZINC000175142935 327376480 /nfs/dbraw/zinc/37/64/80/327376480.db2.gz MBSZACWBRPLLLV-LJQANCHMSA-N 1 2 363.465 2.238 20 30 FEEDLO CO[C@@H](C)c1noc(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)n1 ZINC000266991314 329280679 /nfs/dbraw/zinc/28/06/79/329280679.db2.gz BGJBMTDEZZHJDN-ZDUSSCGKSA-N 1 2 369.425 2.499 20 30 FEEDLO N#Cc1cc(F)c(S(=O)(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c(F)c1 ZINC000268135476 329388985 /nfs/dbraw/zinc/38/89/85/329388985.db2.gz DFWYXYDVLKSQOB-NSHDSACASA-N 1 2 352.366 2.128 20 30 FEEDLO N#Cc1cccc(NC(=O)C[NH+]2CCC(Oc3cncc(Cl)n3)CC2)c1 ZINC000275067036 330007117 /nfs/dbraw/zinc/00/71/17/330007117.db2.gz SRDOGXYCJYBMQF-UHFFFAOYSA-N 1 2 371.828 2.484 20 30 FEEDLO N#Cc1ccc(C(=O)N2CC[C@H](Oc3ccc[nH+]c3N3CCCC3)C2)[nH]1 ZINC000275533523 330060680 /nfs/dbraw/zinc/06/06/80/330060680.db2.gz GCBYGDRTTPALOR-HNNXBMFYSA-N 1 2 351.410 2.175 20 30 FEEDLO N#CCC[C@@H](C#N)C[NH2+]Cc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000554487764 674319403 /nfs/dbraw/zinc/31/94/03/674319403.db2.gz JNIQZDNBEFGWEC-KRWDZBQOSA-N 1 2 360.483 2.394 20 30 FEEDLO CNC(=O)OC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000805827930 674356221 /nfs/dbraw/zinc/35/62/21/674356221.db2.gz PYUGPMFRAQHWRU-AWEZNQCLSA-N 1 2 364.833 2.361 20 30 FEEDLO CNC(=O)OC[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000805827930 674356223 /nfs/dbraw/zinc/35/62/23/674356223.db2.gz PYUGPMFRAQHWRU-AWEZNQCLSA-N 1 2 364.833 2.361 20 30 FEEDLO CCCS(=O)(=O)NC1CC[NH+](CC#Cc2cccc(Cl)c2)CC1 ZINC000156149794 545602839 /nfs/dbraw/zinc/60/28/39/545602839.db2.gz QRHANUCKQAEVKE-UHFFFAOYSA-N 1 2 354.903 2.485 20 30 FEEDLO Cc1cccc(S(=O)(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1C#N ZINC000156299602 545615287 /nfs/dbraw/zinc/61/52/87/545615287.db2.gz ARDGQYLGGMLOBZ-GASCZTMLSA-N 1 2 365.499 2.033 20 30 FEEDLO Cc1cccc(S(=O)(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1C#N ZINC000156299602 545615289 /nfs/dbraw/zinc/61/52/89/545615289.db2.gz ARDGQYLGGMLOBZ-GASCZTMLSA-N 1 2 365.499 2.033 20 30 FEEDLO N#Cc1c(Cl)cccc1S(=O)(=O)NCCc1cn2ccccc2[nH+]1 ZINC000156314950 545617156 /nfs/dbraw/zinc/61/71/56/545617156.db2.gz YGPPRLIWMVDXNR-UHFFFAOYSA-N 1 2 360.826 2.380 20 30 FEEDLO C[C@H](NC(=O)c1occc1COc1cccc(C#N)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000157692004 545770764 /nfs/dbraw/zinc/77/07/64/545770764.db2.gz XRHSGJUWDATLSA-KSSFIOAISA-N 1 2 369.421 2.179 20 30 FEEDLO C[C@H](NC(=O)c1occc1COc1cccc(C#N)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000157692004 545770771 /nfs/dbraw/zinc/77/07/71/545770771.db2.gz XRHSGJUWDATLSA-KSSFIOAISA-N 1 2 369.421 2.179 20 30 FEEDLO CCOC(=O)C1([N@H+](C)CC(=O)NCc2cccc(C#N)c2)CCCCC1 ZINC000478039616 561158701 /nfs/dbraw/zinc/15/87/01/561158701.db2.gz GRLDAFMUEQCCHB-UHFFFAOYSA-N 1 2 357.454 2.372 20 30 FEEDLO CCOC(=O)C1([N@@H+](C)CC(=O)NCc2cccc(C#N)c2)CCCCC1 ZINC000478039616 561158702 /nfs/dbraw/zinc/15/87/02/561158702.db2.gz GRLDAFMUEQCCHB-UHFFFAOYSA-N 1 2 357.454 2.372 20 30 FEEDLO Cc1cc(NC(=O)CN2CC[NH+](CC#Cc3cccc(Cl)c3)CC2)no1 ZINC000159272378 545938962 /nfs/dbraw/zinc/93/89/62/545938962.db2.gz WCUORGMGVNYBTJ-UHFFFAOYSA-N 1 2 372.856 2.244 20 30 FEEDLO Cn1c(C[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)nc2cccc(Cl)c21 ZINC000478424325 561166542 /nfs/dbraw/zinc/16/65/42/561166542.db2.gz FSHLVVLCDRYULB-MRXNPFEDSA-N 1 2 353.813 2.415 20 30 FEEDLO CCCCn1ncc(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)c1C ZINC000160023167 546000560 /nfs/dbraw/zinc/00/05/60/546000560.db2.gz UOLGADZTMADMAW-UHFFFAOYSA-N 1 2 362.478 2.071 20 30 FEEDLO Cc1ccc(C#N)c(N2CC[NH+]([C@H]3CCN(c4ccccc4)C3=O)CC2)n1 ZINC000161429153 546129425 /nfs/dbraw/zinc/12/94/25/546129425.db2.gz ZXSHQPGDTYEHDO-IBGZPJMESA-N 1 2 361.449 2.189 20 30 FEEDLO C=CC[NH+]1CCC(NC(=O)c2ccccc2S(=O)(=O)CCC)CC1 ZINC000171718702 546220766 /nfs/dbraw/zinc/22/07/66/546220766.db2.gz UYZHNLGHSIASEW-UHFFFAOYSA-N 1 2 350.484 2.251 20 30 FEEDLO COc1cc2c(cc1OC)C[N@H+](CC(=O)NCc1cccc(C#N)c1)CC2 ZINC000479580466 561192318 /nfs/dbraw/zinc/19/23/18/561192318.db2.gz QVLYNZWPVVOZCS-UHFFFAOYSA-N 1 2 365.433 2.250 20 30 FEEDLO COc1cc2c(cc1OC)C[N@@H+](CC(=O)NCc1cccc(C#N)c1)CC2 ZINC000479580466 561192319 /nfs/dbraw/zinc/19/23/19/561192319.db2.gz QVLYNZWPVVOZCS-UHFFFAOYSA-N 1 2 365.433 2.250 20 30 FEEDLO C[C@H]([NH2+]Cc1nnc2n1CCCC2)C(=O)N(CCC#N)c1ccccc1 ZINC000173638357 546284693 /nfs/dbraw/zinc/28/46/93/546284693.db2.gz WNSVSQUGSIGRJJ-HNNXBMFYSA-N 1 2 352.442 2.039 20 30 FEEDLO C#CCCCNC(=O)N[C@@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1 ZINC000174098811 546291281 /nfs/dbraw/zinc/29/12/81/546291281.db2.gz MCGZRFVLZWZBQV-QGZVFWFLSA-N 1 2 356.426 2.239 20 30 FEEDLO CCO[C@@H]1C[C@H]([N@H+](C)CCS(=O)(=O)c2ccc(C#N)cc2)C1(C)C ZINC000176260424 546425368 /nfs/dbraw/zinc/42/53/68/546425368.db2.gz RDGKUCJNEODQQN-DLBZAZTESA-N 1 2 350.484 2.467 20 30 FEEDLO CCO[C@@H]1C[C@H]([N@@H+](C)CCS(=O)(=O)c2ccc(C#N)cc2)C1(C)C ZINC000176260424 546425370 /nfs/dbraw/zinc/42/53/70/546425370.db2.gz RDGKUCJNEODQQN-DLBZAZTESA-N 1 2 350.484 2.467 20 30 FEEDLO COc1cc(C[NH+]2CCN(C(=O)NCCCCC#N)CC2)cc(OC)c1 ZINC000176325437 546432247 /nfs/dbraw/zinc/43/22/47/546432247.db2.gz HPLNJTTUBRVZKD-UHFFFAOYSA-N 1 2 360.458 2.225 20 30 FEEDLO CCCC(=O)NC[C@@H]1CCC[N@@H+]([C@H](C(=O)OC)c2cccc(C#N)c2)C1 ZINC000177038799 546529234 /nfs/dbraw/zinc/52/92/34/546529234.db2.gz RIWZHJZLYAZTQL-LPHOPBHVSA-N 1 2 357.454 2.401 20 30 FEEDLO CCCC(=O)NC[C@@H]1CCC[N@H+]([C@H](C(=O)OC)c2cccc(C#N)c2)C1 ZINC000177038799 546529238 /nfs/dbraw/zinc/52/92/38/546529238.db2.gz RIWZHJZLYAZTQL-LPHOPBHVSA-N 1 2 357.454 2.401 20 30 FEEDLO N#Cc1cc(NC(=O)C(=O)NCc2ccn3cc[nH+]c3c2)ccc1Cl ZINC000178034240 546727624 /nfs/dbraw/zinc/72/76/24/546727624.db2.gz MYFCDMPQXLTPTK-UHFFFAOYSA-N 1 2 353.769 2.114 20 30 FEEDLO COc1cccc(OCC[NH+]2CCN(C(=O)NCCCCC#N)CC2)c1 ZINC000178080494 546736122 /nfs/dbraw/zinc/73/61/22/546736122.db2.gz GPHGVDNKUZDUDA-UHFFFAOYSA-N 1 2 360.458 2.095 20 30 FEEDLO Cn1cc(C[NH+]2CCN(C(=O)Cc3cccc(Cl)c3)CC2)cc1C#N ZINC000483282439 561272859 /nfs/dbraw/zinc/27/28/59/561272859.db2.gz FGDBZSYZJPLAGB-UHFFFAOYSA-N 1 2 356.857 2.437 20 30 FEEDLO N#Cc1ccccc1N1CCC[N@H+](Cc2cn(Cc3cccnc3)nn2)CC1 ZINC000183001603 547586194 /nfs/dbraw/zinc/58/61/94/547586194.db2.gz HLMQXWYKMQQBOX-UHFFFAOYSA-N 1 2 373.464 2.305 20 30 FEEDLO N#Cc1ccccc1N1CCC[N@@H+](Cc2cn(Cc3cccnc3)nn2)CC1 ZINC000183001603 547586197 /nfs/dbraw/zinc/58/61/97/547586197.db2.gz HLMQXWYKMQQBOX-UHFFFAOYSA-N 1 2 373.464 2.305 20 30 FEEDLO C=CCn1c(C)cc(C(=O)CN2CCN(c3cc[nH+]c(C)n3)CC2)c1C ZINC000183807144 547722781 /nfs/dbraw/zinc/72/27/81/547722781.db2.gz ROYQVSGXQAYGGO-UHFFFAOYSA-N 1 2 353.470 2.394 20 30 FEEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000185542880 548000361 /nfs/dbraw/zinc/00/03/61/548000361.db2.gz SJEWBVPYEIMXPX-IAGOWNOFSA-N 1 2 373.501 2.001 20 30 FEEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000185542880 548000365 /nfs/dbraw/zinc/00/03/65/548000365.db2.gz SJEWBVPYEIMXPX-IAGOWNOFSA-N 1 2 373.501 2.001 20 30 FEEDLO CCN1CCC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)CC1=O ZINC000190216839 548320274 /nfs/dbraw/zinc/32/02/74/548320274.db2.gz ADZBBYIUHLLKMN-GOSISDBHSA-N 1 2 370.497 2.493 20 30 FEEDLO CCN1CCC[N@H+]([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)CC1=O ZINC000190216839 548320280 /nfs/dbraw/zinc/32/02/80/548320280.db2.gz ADZBBYIUHLLKMN-GOSISDBHSA-N 1 2 370.497 2.493 20 30 FEEDLO O=C(CN1CC[NH+](CC#Cc2ccccc2)CC1)Nc1ccccc1F ZINC000192130901 548360408 /nfs/dbraw/zinc/36/04/08/548360408.db2.gz AJHIGNBMQWWIKM-UHFFFAOYSA-N 1 2 351.425 2.434 20 30 FEEDLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C#N)C1CCCCC1 ZINC000486587352 561351664 /nfs/dbraw/zinc/35/16/64/561351664.db2.gz NYPHBSMYDYOICE-IRXDYDNUSA-N 1 2 359.474 2.072 20 30 FEEDLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C#N)C1CCCCC1 ZINC000486587352 561351665 /nfs/dbraw/zinc/35/16/65/561351665.db2.gz NYPHBSMYDYOICE-IRXDYDNUSA-N 1 2 359.474 2.072 20 30 FEEDLO C[C@@H]1C[N@@H+](CCN(C)C(=O)CSCc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000194740011 548525250 /nfs/dbraw/zinc/52/52/50/548525250.db2.gz BXILJVYLSCUNNJ-IYBDPMFKSA-N 1 2 361.511 2.359 20 30 FEEDLO C[C@@H]1C[N@H+](CCN(C)C(=O)CSCc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000194740011 548525254 /nfs/dbraw/zinc/52/52/54/548525254.db2.gz BXILJVYLSCUNNJ-IYBDPMFKSA-N 1 2 361.511 2.359 20 30 FEEDLO Cc1cc(C[NH+]2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)ccc1C#N ZINC000487863565 561377498 /nfs/dbraw/zinc/37/74/98/561377498.db2.gz VOKLWGHBAILXCR-KRWDZBQOSA-N 1 2 354.498 2.432 20 30 FEEDLO Cc1cc(CN2CC[NH+]([C@@H](C)C(=O)NC3CCCC3)CC2)ccc1C#N ZINC000487863565 561377499 /nfs/dbraw/zinc/37/74/99/561377499.db2.gz VOKLWGHBAILXCR-KRWDZBQOSA-N 1 2 354.498 2.432 20 30 FEEDLO C=CCc1cc(CNC(=O)N[C@@H]2CCn3cc[nH+]c3C2)cc(OC)c1OC ZINC000488594672 561392445 /nfs/dbraw/zinc/39/24/45/561392445.db2.gz LDPCWIRIRHKZTF-MRXNPFEDSA-N 1 2 370.453 2.443 20 30 FEEDLO Cc1noc([C@@H]2CCC[N@@H+]([C@H]3CCN(c4sccc4C#N)C3=O)C2)n1 ZINC000246385233 549119960 /nfs/dbraw/zinc/11/99/60/549119960.db2.gz IKXIZZLJCJGHLN-KGLIPLIRSA-N 1 2 357.439 2.296 20 30 FEEDLO Cc1noc([C@@H]2CCC[N@H+]([C@H]3CCN(c4sccc4C#N)C3=O)C2)n1 ZINC000246385233 549119967 /nfs/dbraw/zinc/11/99/67/549119967.db2.gz IKXIZZLJCJGHLN-KGLIPLIRSA-N 1 2 357.439 2.296 20 30 FEEDLO CC(C)(C)OC(=O)CCNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000488561862 561391942 /nfs/dbraw/zinc/39/19/42/561391942.db2.gz RLYLLBGBZABXKY-UHFFFAOYSA-N 1 2 372.469 2.117 20 30 FEEDLO C[C@H](C(=O)NCC1CCCCC1)[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000253375946 549684758 /nfs/dbraw/zinc/68/47/58/549684758.db2.gz RNQLPGKRBQBJBY-MRXNPFEDSA-N 1 2 355.486 2.160 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000263699239 549921419 /nfs/dbraw/zinc/92/14/19/549921419.db2.gz MUGOCTMRIUQEOV-HXUWFJFHSA-N 1 2 372.469 2.248 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000263699239 549921421 /nfs/dbraw/zinc/92/14/21/549921421.db2.gz MUGOCTMRIUQEOV-HXUWFJFHSA-N 1 2 372.469 2.248 20 30 FEEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CCCN(C(=O)Oc2ccccc2)CC1)C1CC1 ZINC000263702112 549921872 /nfs/dbraw/zinc/92/18/72/549921872.db2.gz NRUDWWWGMIDJHO-FQEVSTJZSA-N 1 2 370.453 2.002 20 30 FEEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CCCN(C(=O)Oc2ccccc2)CC1)C1CC1 ZINC000263702112 549921875 /nfs/dbraw/zinc/92/18/75/549921875.db2.gz NRUDWWWGMIDJHO-FQEVSTJZSA-N 1 2 370.453 2.002 20 30 FEEDLO C=CCOc1ccccc1C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000264276979 549993970 /nfs/dbraw/zinc/99/39/70/549993970.db2.gz HKLKOCWFNYPZBG-UHFFFAOYSA-N 1 2 356.426 2.032 20 30 FEEDLO COc1ccccc1CNC(=O)[C@H](C)O[NH+]=C(N)[C@H](C)OCC(C)C ZINC000266240156 550018360 /nfs/dbraw/zinc/01/83/60/550018360.db2.gz WZDPMRCTZZJZIS-KBPBESRZSA-N 1 2 351.447 2.050 20 30 FEEDLO COc1ccc(NC(=O)[C@H](C)O[NH+]=C(N)[C@H](C)OCC(C)C)cc1OC ZINC000266225148 550018504 /nfs/dbraw/zinc/01/85/04/550018504.db2.gz SFZUKTUQMLPMDU-STQMWFEESA-N 1 2 367.446 2.381 20 30 FEEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N1CC[NH+](Cc2ccc(OC)c(F)c2)CC1 ZINC000491389544 561445096 /nfs/dbraw/zinc/44/50/96/561445096.db2.gz ODZCVGULQVGWKB-VQIMIIECSA-N 1 2 362.445 2.460 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@@H]3CCC[C@H]4OCC[C@@H]43)CC2)cc1 ZINC000268518677 550081162 /nfs/dbraw/zinc/08/11/62/550081162.db2.gz ZNSSGHLHICWFQR-VAMGGRTRSA-N 1 2 368.481 2.343 20 30 FEEDLO CCOc1cccc(CNC(=O)CO[NH+]=C(N)c2ccc(OC)cc2)c1 ZINC000268600716 550092029 /nfs/dbraw/zinc/09/20/29/550092029.db2.gz GMENTDOFSMTYIB-UHFFFAOYSA-N 1 2 357.410 2.047 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+](CCCO)Cc2ccccc2)cc1 ZINC000268963625 550138049 /nfs/dbraw/zinc/13/80/49/550138049.db2.gz JLCIOSLMTJKLDH-UHFFFAOYSA-N 1 2 358.463 2.217 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+](CCCO)Cc2ccccc2)cc1 ZINC000268963625 550138050 /nfs/dbraw/zinc/13/80/50/550138050.db2.gz JLCIOSLMTJKLDH-UHFFFAOYSA-N 1 2 358.463 2.217 20 30 FEEDLO CC(=O)c1cccc(NC(=O)[C@@H](C)O[NH+]=C(N)c2ccc3c(c2)CCO3)c1 ZINC000269838777 550229632 /nfs/dbraw/zinc/22/96/32/550229632.db2.gz BFEHATRLQFPTAN-CYBMUJFWSA-N 1 2 367.405 2.488 20 30 FEEDLO C#CCOc1ccccc1CNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000269896540 550234511 /nfs/dbraw/zinc/23/45/11/550234511.db2.gz GCQTVPWFFQIUSN-KRWDZBQOSA-N 1 2 350.422 2.172 20 30 FEEDLO C=CCN(C(=O)NCc1ccccc1OCC[NH+]1CCOCC1)C1CC1 ZINC000271587669 550388090 /nfs/dbraw/zinc/38/80/90/550388090.db2.gz SJWBUWKQAWSBRR-UHFFFAOYSA-N 1 2 359.470 2.258 20 30 FEEDLO CCN(C[C@@H](C)C#N)C(=O)CN1CCc2c([nH+]cn2-c2ccc(F)cc2)C1 ZINC000272619219 550461228 /nfs/dbraw/zinc/46/12/28/550461228.db2.gz BMWMJROCHLQWDN-HNNXBMFYSA-N 1 2 369.444 2.378 20 30 FEEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)NC3CC3)C2)c(Br)c1 ZINC000274021466 550520008 /nfs/dbraw/zinc/52/00/08/550520008.db2.gz PLCPYQNICXUNHU-CQSZACIVSA-N 1 2 363.259 2.357 20 30 FEEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)NC3CC3)C2)c(Br)c1 ZINC000274021466 550520009 /nfs/dbraw/zinc/52/00/09/550520009.db2.gz PLCPYQNICXUNHU-CQSZACIVSA-N 1 2 363.259 2.357 20 30 FEEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[S@@](=O)C[C@@H](C)C1 ZINC000277366345 550661646 /nfs/dbraw/zinc/66/16/46/550661646.db2.gz GYFBULABDMQQBF-XAPDGSRCSA-N 1 2 354.541 2.352 20 30 FEEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[S@@](=O)C[C@@H](C)C1 ZINC000277366345 550661647 /nfs/dbraw/zinc/66/16/47/550661647.db2.gz GYFBULABDMQQBF-XAPDGSRCSA-N 1 2 354.541 2.352 20 30 FEEDLO C[C@@H](C#N)CN(C)C(=O)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000278519954 550794640 /nfs/dbraw/zinc/79/46/40/550794640.db2.gz FXTGSHQZYNOKHZ-AWEZNQCLSA-N 1 2 365.437 2.443 20 30 FEEDLO C=CCC(CC=C)C(=O)N1CCO[C@H](C[N@@H+](C)CC(=O)OC(C)(C)C)C1 ZINC000279106060 550854694 /nfs/dbraw/zinc/85/46/94/550854694.db2.gz DITGMQPFQOYQNS-QGZVFWFLSA-N 1 2 366.502 2.256 20 30 FEEDLO C=CCC(CC=C)C(=O)N1CCO[C@H](C[N@H+](C)CC(=O)OC(C)(C)C)C1 ZINC000279106060 550854695 /nfs/dbraw/zinc/85/46/95/550854695.db2.gz DITGMQPFQOYQNS-QGZVFWFLSA-N 1 2 366.502 2.256 20 30 FEEDLO C[N@@H+]1CCc2nc(NC(=O)[C@H](C#N)Cc3ccc(C#N)cc3)sc2C1 ZINC000279563219 550903520 /nfs/dbraw/zinc/90/35/20/550903520.db2.gz OZCVTOCYRJWIND-AWEZNQCLSA-N 1 2 351.435 2.324 20 30 FEEDLO C[N@H+]1CCc2nc(NC(=O)[C@H](C#N)Cc3ccc(C#N)cc3)sc2C1 ZINC000279563219 550903521 /nfs/dbraw/zinc/90/35/21/550903521.db2.gz OZCVTOCYRJWIND-AWEZNQCLSA-N 1 2 351.435 2.324 20 30 FEEDLO C#CCn1ccc(CN(CC)C(=O)NCc2cn3cc(C)ccc3[nH+]2)n1 ZINC000279600647 550907469 /nfs/dbraw/zinc/90/74/69/550907469.db2.gz WDCQMHKDNQBBPB-UHFFFAOYSA-N 1 2 350.426 2.204 20 30 FEEDLO C#CCn1ccc(C[N@@H+](CC)[C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)n1 ZINC000279816528 550932154 /nfs/dbraw/zinc/93/21/54/550932154.db2.gz YCLLGMOTPFVMLS-HNNXBMFYSA-N 1 2 368.437 2.137 20 30 FEEDLO C#CCn1ccc(C[N@H+](CC)[C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)n1 ZINC000279816528 550932155 /nfs/dbraw/zinc/93/21/55/550932155.db2.gz YCLLGMOTPFVMLS-HNNXBMFYSA-N 1 2 368.437 2.137 20 30 FEEDLO C#C[C@@H](NC(=O)N[C@@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1)C(C)C ZINC000281036352 551056914 /nfs/dbraw/zinc/05/69/14/551056914.db2.gz ILNAVWCHZKQUID-QZTJIDSGSA-N 1 2 370.453 2.484 20 30 FEEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)C(=O)NC(=O)Nc2ccc(C)cc2C)C1=O ZINC000281341746 551086541 /nfs/dbraw/zinc/08/65/41/551086541.db2.gz MMOMVIGEOOVQHG-NVXWUHKLSA-N 1 2 372.469 2.059 20 30 FEEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](C)C(=O)NC(=O)Nc2ccc(C)cc2C)C1=O ZINC000281341746 551086542 /nfs/dbraw/zinc/08/65/42/551086542.db2.gz MMOMVIGEOOVQHG-NVXWUHKLSA-N 1 2 372.469 2.059 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)C(=O)N(CCC#N)c2ccccc2)C1=O ZINC000281358317 551088209 /nfs/dbraw/zinc/08/82/09/551088209.db2.gz NPRMNWDJEQKNAM-WMZOPIPTSA-N 1 2 354.454 2.040 20 30 FEEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)C(=O)N(CCC#N)c2ccccc2)C1=O ZINC000281358317 551088211 /nfs/dbraw/zinc/08/82/11/551088211.db2.gz NPRMNWDJEQKNAM-WMZOPIPTSA-N 1 2 354.454 2.040 20 30 FEEDLO CO[C@@H]1CC[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)[C@@H](C)C1 ZINC000282271451 551204378 /nfs/dbraw/zinc/20/43/78/551204378.db2.gz HQXXEVRMPHASEJ-WMLDXEAASA-N 1 2 353.426 2.182 20 30 FEEDLO CO[C@@H]1CC[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)[C@@H](C)C1 ZINC000282271451 551204379 /nfs/dbraw/zinc/20/43/79/551204379.db2.gz HQXXEVRMPHASEJ-WMLDXEAASA-N 1 2 353.426 2.182 20 30 FEEDLO N#CC1CCC(CNC(=O)NCc2ccc(N3CCOCC3)[nH+]c2)CC1 ZINC000282400831 551223335 /nfs/dbraw/zinc/22/33/35/551223335.db2.gz XFULCEHQCOJBJB-UHFFFAOYSA-N 1 2 357.458 2.047 20 30 FEEDLO C#CC[NH+]1CCN(c2nnc(-c3cc(C)oc3C)n2CCCOCC)CC1 ZINC000282855075 551278190 /nfs/dbraw/zinc/27/81/90/551278190.db2.gz UBMTZBQCSCUGHE-UHFFFAOYSA-N 1 2 371.485 2.337 20 30 FEEDLO N#Cc1ccc(C(=O)NCC[NH+]2CCN(C(=O)C3CCCCC3)CC2)cc1 ZINC000497987503 561513274 /nfs/dbraw/zinc/51/32/74/561513274.db2.gz AYDYZYZIYDGUEU-UHFFFAOYSA-N 1 2 368.481 2.013 20 30 FEEDLO N#Cc1cccc(C(=O)NCC[NH+]2CCN(C(=O)C3CCCCC3)CC2)c1 ZINC000497989761 561513319 /nfs/dbraw/zinc/51/33/19/561513319.db2.gz CCENRIAMNORSBE-UHFFFAOYSA-N 1 2 368.481 2.013 20 30 FEEDLO C[C@H](O[NH+]=C(N)[C@@H]1CCCO1)C(=O)Nc1ccccc1Br ZINC000284028301 551470857 /nfs/dbraw/zinc/47/08/57/551470857.db2.gz IMBYHOSMPQQLCG-CABZTGNLSA-N 1 2 356.220 2.244 20 30 FEEDLO N#Cc1cc(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)ccc1F ZINC000285142646 551710407 /nfs/dbraw/zinc/71/04/07/551710407.db2.gz YGIVPSGYUQTWBT-UXHICEINSA-N 1 2 365.408 2.423 20 30 FEEDLO N#Cc1cc(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)ccc1F ZINC000285142646 551710409 /nfs/dbraw/zinc/71/04/09/551710409.db2.gz YGIVPSGYUQTWBT-UXHICEINSA-N 1 2 365.408 2.423 20 30 FEEDLO C#CCN(Cc1ccccc1)C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000285472548 551761634 /nfs/dbraw/zinc/76/16/34/551761634.db2.gz AYGKFULTEBUTGS-UHFFFAOYSA-N 1 2 364.449 2.263 20 30 FEEDLO COc1nc(C)cc(C)c1C[N@@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000287577924 552021189 /nfs/dbraw/zinc/02/11/89/552021189.db2.gz CBRMQDMRFMBXOE-OAHLLOKOSA-N 1 2 352.442 2.079 20 30 FEEDLO COc1nc(C)cc(C)c1C[N@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000287577924 552021190 /nfs/dbraw/zinc/02/11/90/552021190.db2.gz CBRMQDMRFMBXOE-OAHLLOKOSA-N 1 2 352.442 2.079 20 30 FEEDLO C#C[C@H](NC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1)C(C)(C)C ZINC000288530366 552169953 /nfs/dbraw/zinc/16/99/53/552169953.db2.gz HKBXWDFRVRVRKZ-SFHVURJKSA-N 1 2 370.497 2.437 20 30 FEEDLO C#CC[C@]1(C(=O)N[C@H](C)Cn2cc[nH+]c2)CCCN1C(=O)OC(C)(C)C ZINC000289356910 552306512 /nfs/dbraw/zinc/30/65/12/552306512.db2.gz YERXVRMURXSYQD-DNVCBOLYSA-N 1 2 360.458 2.181 20 30 FEEDLO Cc1nsc(N2CC[NH+](Cc3cnc4c(c3)c(C)nn4C)CC2)c1C#N ZINC000289511668 552333155 /nfs/dbraw/zinc/33/31/55/552333155.db2.gz RACPHUIJZSHSSO-UHFFFAOYSA-N 1 2 367.482 2.236 20 30 FEEDLO CCc1ccc(C[NH+]2CCN(C(=O)Cc3noc(C)c3C#N)CC2)s1 ZINC000500613253 561578002 /nfs/dbraw/zinc/57/80/02/561578002.db2.gz WQZNVFLXSKCGKF-UHFFFAOYSA-N 1 2 358.467 2.366 20 30 FEEDLO Cn1c2ccc(CNS(=O)(=O)c3cncc(C#N)c3)cc2[nH+]c1C1CC1 ZINC000290087793 552425249 /nfs/dbraw/zinc/42/52/49/552425249.db2.gz HMGRQSOCCGGKBS-UHFFFAOYSA-N 1 2 367.434 2.196 20 30 FEEDLO Cc1ccsc1CNC(=O)C[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292185930 552702522 /nfs/dbraw/zinc/70/25/22/552702522.db2.gz MUZBZYLWHPTXSB-HNNXBMFYSA-N 1 2 356.451 2.093 20 30 FEEDLO Cc1ccsc1CNC(=O)C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292185930 552702524 /nfs/dbraw/zinc/70/25/24/552702524.db2.gz MUZBZYLWHPTXSB-HNNXBMFYSA-N 1 2 356.451 2.093 20 30 FEEDLO C[C@H]1CN(C(=O)C(C)(C)C)C[C@H](C)[NH+]1CC(=O)NCc1ccc(C#N)cc1 ZINC000292316950 552715435 /nfs/dbraw/zinc/71/54/35/552715435.db2.gz NTSNGONXZWSUPD-HOTGVXAUSA-N 1 2 370.497 2.142 20 30 FEEDLO CCOC(=O)c1cc(C[NH+]2CCN(c3ncccc3C#N)CC2)[nH]c1C ZINC000294558051 552915561 /nfs/dbraw/zinc/91/55/61/552915561.db2.gz LTSKYGZFRRZKKQ-UHFFFAOYSA-N 1 2 353.426 2.089 20 30 FEEDLO C#CC[C@@]1(C(=O)NCc2c[nH+]ccc2OC)CCCN1C(=O)OC(C)(C)C ZINC000294701237 552927834 /nfs/dbraw/zinc/92/78/34/552927834.db2.gz VFVJXICCDSDZKQ-FQEVSTJZSA-N 1 2 373.453 2.499 20 30 FEEDLO COC(=O)c1cccc(CN(CCC#N)CC[NH+]2CCOCC2)c1Cl ZINC000294905006 552942990 /nfs/dbraw/zinc/94/29/90/552942990.db2.gz HJDGUWGBMKQAAN-UHFFFAOYSA-N 1 2 365.861 2.174 20 30 FEEDLO C#CCCOc1ccc(C(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)cc1 ZINC000294921179 552944515 /nfs/dbraw/zinc/94/45/15/552944515.db2.gz JGALVZSOXYFRMZ-UHFFFAOYSA-N 1 2 350.422 2.150 20 30 FEEDLO C[C@H]1C[C@@H](C(F)(F)F)CC[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000295228362 552972589 /nfs/dbraw/zinc/97/25/89/552972589.db2.gz YTFIIJAETLPHKG-AAEUAGOBSA-N 1 2 361.389 2.390 20 30 FEEDLO C[C@H]1C[C@@H](C(F)(F)F)CC[N@H+]1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000295228362 552972591 /nfs/dbraw/zinc/97/25/91/552972591.db2.gz YTFIIJAETLPHKG-AAEUAGOBSA-N 1 2 361.389 2.390 20 30 FEEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCC[C@H](OC(=O)N(C)C)C1 ZINC000295717622 553049642 /nfs/dbraw/zinc/04/96/42/553049642.db2.gz VBVSFRAADPIEQT-WMZOPIPTSA-N 1 2 372.469 2.484 20 30 FEEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCC[C@H](OC(=O)N(C)C)C1 ZINC000295717622 553049644 /nfs/dbraw/zinc/04/96/44/553049644.db2.gz VBVSFRAADPIEQT-WMZOPIPTSA-N 1 2 372.469 2.484 20 30 FEEDLO Cn1cc[nH+]c1[C@H]1N(C(=O)C(=O)Nc2cc(C#N)ccc2Cl)CC1(C)C ZINC000295998138 553086931 /nfs/dbraw/zinc/08/69/31/553086931.db2.gz FGWZBMULIFHZKU-CQSZACIVSA-N 1 2 371.828 2.493 20 30 FEEDLO CO[C@H]1CC[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC1(C)C ZINC000296130108 553109416 /nfs/dbraw/zinc/10/94/16/553109416.db2.gz SFORYTMKZSBPOK-KRWDZBQOSA-N 1 2 367.453 2.429 20 30 FEEDLO CO[C@H]1CC[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC1(C)C ZINC000296130108 553109419 /nfs/dbraw/zinc/10/94/19/553109419.db2.gz SFORYTMKZSBPOK-KRWDZBQOSA-N 1 2 367.453 2.429 20 30 FEEDLO C=C(C)Cn1c([C@H]2CCCO2)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC000296153002 553113547 /nfs/dbraw/zinc/11/35/47/553113547.db2.gz YNHVSZCDYZGHND-QGZVFWFLSA-N 1 2 372.473 2.324 20 30 FEEDLO CS(=O)(=O)c1cccc(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000296182012 553118358 /nfs/dbraw/zinc/11/83/58/553118358.db2.gz XWAXUVDKVYNOHX-INIZCTEOSA-N 1 2 357.435 2.010 20 30 FEEDLO CS(=O)(=O)c1cccc(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000296182012 553118360 /nfs/dbraw/zinc/11/83/60/553118360.db2.gz XWAXUVDKVYNOHX-INIZCTEOSA-N 1 2 357.435 2.010 20 30 FEEDLO Cc1c(C#N)c(N2CC[NH+](CC(=O)N3CCCC3)CC2)nc2ccccc12 ZINC000296566576 553180858 /nfs/dbraw/zinc/18/08/58/553180858.db2.gz QADRQPFCWRWBSO-UHFFFAOYSA-N 1 2 363.465 2.159 20 30 FEEDLO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CC(=O)N(C)[C@H](C)C3)sc2C1 ZINC000502952375 561630815 /nfs/dbraw/zinc/63/08/15/561630815.db2.gz LNNPPOIHOBNBFL-CHWSQXEVSA-N 1 2 374.510 2.236 20 30 FEEDLO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CC(=O)N(C)[C@H](C)C3)sc2C1 ZINC000502952375 561630816 /nfs/dbraw/zinc/63/08/16/561630816.db2.gz LNNPPOIHOBNBFL-CHWSQXEVSA-N 1 2 374.510 2.236 20 30 FEEDLO N#CC[C@@H]1CC[C@H](NC(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)C1 ZINC000297373183 553284278 /nfs/dbraw/zinc/28/42/78/553284278.db2.gz FRYGQOBUHNTXMC-WDSOQIARSA-N 1 2 356.470 2.441 20 30 FEEDLO C[N@H+](CCNC(=O)OC(C)(C)C)CC(=O)N(CCC#N)c1ccccc1 ZINC000297419196 553289886 /nfs/dbraw/zinc/28/98/86/553289886.db2.gz MFCOBPLYLGUEQY-UHFFFAOYSA-N 1 2 360.458 2.390 20 30 FEEDLO C[N@@H+](CCNC(=O)OC(C)(C)C)CC(=O)N(CCC#N)c1ccccc1 ZINC000297419196 553289887 /nfs/dbraw/zinc/28/98/87/553289887.db2.gz MFCOBPLYLGUEQY-UHFFFAOYSA-N 1 2 360.458 2.390 20 30 FEEDLO C=CCN(CC=C)C(=O)C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000297522002 553303839 /nfs/dbraw/zinc/30/38/39/553303839.db2.gz NGMRDBUBWPRSIT-MRXNPFEDSA-N 1 2 356.470 2.126 20 30 FEEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1Cl)CCC2 ZINC000503101551 561634363 /nfs/dbraw/zinc/63/43/63/561634363.db2.gz VARPUEJEPYZLPP-ZDUSSCGKSA-N 1 2 371.828 2.349 20 30 FEEDLO N#Cc1ccc(CN2CC[NH+]([C@H](C(N)=O)c3ccccc3)CC2)c(F)c1 ZINC000298155103 553391412 /nfs/dbraw/zinc/39/14/12/553391412.db2.gz DBTZQYWRPMENDD-IBGZPJMESA-N 1 2 352.413 2.042 20 30 FEEDLO C=CCN(C)C(=O)C(=O)N1CCC(n2c(CC)[nH+]c3ccccc32)CC1 ZINC000298182555 553395163 /nfs/dbraw/zinc/39/51/63/553395163.db2.gz VJESYRLFGJFTCF-UHFFFAOYSA-N 1 2 354.454 2.407 20 30 FEEDLO CN(CCCc1[nH]nc(N)c1C#N)c1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000301090697 553620500 /nfs/dbraw/zinc/62/05/00/553620500.db2.gz SECKVJPSFCYREJ-UHFFFAOYSA-N 1 2 373.424 2.061 20 30 FEEDLO CO[C@@H](C)c1noc(C[N@@H+]2CCCN(c3c(C#N)cccc3C#N)CC2)n1 ZINC000302905227 553741534 /nfs/dbraw/zinc/74/15/34/553741534.db2.gz VROOFDMXBFOSHY-AWEZNQCLSA-N 1 2 366.425 2.233 20 30 FEEDLO CO[C@@H](C)c1noc(C[N@H+]2CCCN(c3c(C#N)cccc3C#N)CC2)n1 ZINC000302905227 553741535 /nfs/dbraw/zinc/74/15/35/553741535.db2.gz VROOFDMXBFOSHY-AWEZNQCLSA-N 1 2 366.425 2.233 20 30 FEEDLO C=CCCc1ccccc1NC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000505673101 561677129 /nfs/dbraw/zinc/67/71/29/561677129.db2.gz VBURZQJDVZYGRR-GOSISDBHSA-N 1 2 371.481 2.067 20 30 FEEDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)N[C@@H]1CCCN(C2CCCCC2)C1=O ZINC000328607623 553795834 /nfs/dbraw/zinc/79/58/34/553795834.db2.gz LHPVUXDPFMGBAU-GDBMZVCRSA-N 1 2 359.474 2.025 20 30 FEEDLO CCOC1CC(CNC(=O)c2cccc3[nH]c(C)nc32)([NH+]2CCOCC2)C1 ZINC000328681539 553806280 /nfs/dbraw/zinc/80/62/80/553806280.db2.gz COHQHPGXZTVGSH-UHFFFAOYSA-N 1 2 372.469 2.446 20 30 FEEDLO C[N@@H+]1CCO[C@H](CN(CC2CC2)C(=O)N[C@H]2CCCC23CCOCC3)C1 ZINC000328721957 553812159 /nfs/dbraw/zinc/81/21/59/553812159.db2.gz RQFNXBIAOGJEIF-ROUUACIJSA-N 1 2 365.518 2.292 20 30 FEEDLO C[N@H+]1CCO[C@H](CN(CC2CC2)C(=O)N[C@H]2CCCC23CCOCC3)C1 ZINC000328721957 553812161 /nfs/dbraw/zinc/81/21/61/553812161.db2.gz RQFNXBIAOGJEIF-ROUUACIJSA-N 1 2 365.518 2.292 20 30 FEEDLO CC1(C)C[N@H+](CCNC(=O)N2CCNC(=O)[C@H]2c2ccccc2)CCO1 ZINC000328760923 553818282 /nfs/dbraw/zinc/81/82/82/553818282.db2.gz XWOQJGGJWWZDFW-MRXNPFEDSA-N 1 2 360.458 2.025 20 30 FEEDLO CC1(C)C[N@@H+](CCNC(=O)N2CCNC(=O)[C@H]2c2ccccc2)CCO1 ZINC000328760923 553818284 /nfs/dbraw/zinc/81/82/84/553818284.db2.gz XWOQJGGJWWZDFW-MRXNPFEDSA-N 1 2 360.458 2.025 20 30 FEEDLO CC1(C)CCC[C@H](CC(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000328795020 553823249 /nfs/dbraw/zinc/82/32/49/553823249.db2.gz SVDARMWACUJTLP-IAGOWNOFSA-N 1 2 365.518 2.483 20 30 FEEDLO CN1CCO[C@@H]2CC[N@H+](CC(=O)Nc3ccc4c(c3)OC(F)(F)O4)C[C@H]21 ZINC000328903641 553841662 /nfs/dbraw/zinc/84/16/62/553841662.db2.gz IDOJEKNWZQAZNV-CHWSQXEVSA-N 1 2 369.368 2.001 20 30 FEEDLO CN1CCO[C@@H]2CC[N@@H+](CC(=O)Nc3ccc4c(c3)OC(F)(F)O4)C[C@H]21 ZINC000328903641 553841663 /nfs/dbraw/zinc/84/16/63/553841663.db2.gz IDOJEKNWZQAZNV-CHWSQXEVSA-N 1 2 369.368 2.001 20 30 FEEDLO C[N@@H+]1CCO[C@@H]2CCN(CC(=O)Nc3ccc4c(c3)OC(F)(F)O4)C[C@H]21 ZINC000328903641 553841665 /nfs/dbraw/zinc/84/16/65/553841665.db2.gz IDOJEKNWZQAZNV-CHWSQXEVSA-N 1 2 369.368 2.001 20 30 FEEDLO C[N@H+]1CCO[C@@H]2CCN(CC(=O)Nc3ccc4c(c3)OC(F)(F)O4)C[C@H]21 ZINC000328903641 553841666 /nfs/dbraw/zinc/84/16/66/553841666.db2.gz IDOJEKNWZQAZNV-CHWSQXEVSA-N 1 2 369.368 2.001 20 30 FEEDLO O=C(C[N@H+]1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O)N[C@H]1CCOc2ccccc21 ZINC000328953664 553852443 /nfs/dbraw/zinc/85/24/43/553852443.db2.gz IGRLLBRSSUSVGY-FJIDUMEYSA-N 1 2 360.454 2.329 20 30 FEEDLO O=C(C[N@@H+]1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O)N[C@H]1CCOc2ccccc21 ZINC000328953664 553852444 /nfs/dbraw/zinc/85/24/44/553852444.db2.gz IGRLLBRSSUSVGY-FJIDUMEYSA-N 1 2 360.454 2.329 20 30 FEEDLO Cc1nn2c(CN3CC[NH+]([C@H](C)C(=O)NC4CC4)CC3)c(C)nc2s1 ZINC000328977350 553857168 /nfs/dbraw/zinc/85/71/68/553857168.db2.gz BZGXNTMZIDMANQ-GFCCVEGCSA-N 1 2 362.503 2.033 20 30 FEEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)Nc3csc(-c4ccccn4)n3)C[C@@H]21 ZINC000328978025 553857564 /nfs/dbraw/zinc/85/75/64/553857564.db2.gz QOBZCQQJDUWVSW-UONOGXRCSA-N 1 2 359.455 2.156 20 30 FEEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)Nc3csc(-c4ccccn4)n3)C[C@@H]21 ZINC000328978025 553857565 /nfs/dbraw/zinc/85/75/65/553857565.db2.gz QOBZCQQJDUWVSW-UONOGXRCSA-N 1 2 359.455 2.156 20 30 FEEDLO CO[C@@H]1CCC[C@H]1[C@@H]1COCC[N@@H+]1CC(=O)Nc1c(C)nn(C)c1C ZINC000328985508 553859007 /nfs/dbraw/zinc/85/90/07/553859007.db2.gz TYGAUVPOLQCEGF-HRCADAONSA-N 1 2 350.463 2.141 20 30 FEEDLO CO[C@@H]1CCC[C@H]1[C@@H]1COCC[N@H+]1CC(=O)Nc1c(C)nn(C)c1C ZINC000328985508 553859010 /nfs/dbraw/zinc/85/90/10/553859010.db2.gz TYGAUVPOLQCEGF-HRCADAONSA-N 1 2 350.463 2.141 20 30 FEEDLO CN(C)c1ncc(C[N@H+](C)CC(=O)Nc2ccc(C#N)c(Cl)c2)cn1 ZINC000506034726 561687809 /nfs/dbraw/zinc/68/78/09/561687809.db2.gz AVRKBPJUMGLHHA-UHFFFAOYSA-N 1 2 358.833 2.138 20 30 FEEDLO CN(C)c1ncc(C[N@@H+](C)CC(=O)Nc2ccc(C#N)c(Cl)c2)cn1 ZINC000506034726 561687810 /nfs/dbraw/zinc/68/78/10/561687810.db2.gz AVRKBPJUMGLHHA-UHFFFAOYSA-N 1 2 358.833 2.138 20 30 FEEDLO Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C(C)C ZINC000329009975 553864070 /nfs/dbraw/zinc/86/40/70/553864070.db2.gz HTQUQOLUOKTIBB-ZNMIVQPWSA-N 1 2 362.478 2.094 20 30 FEEDLO Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C(C)C ZINC000329009975 553864071 /nfs/dbraw/zinc/86/40/71/553864071.db2.gz HTQUQOLUOKTIBB-ZNMIVQPWSA-N 1 2 362.478 2.094 20 30 FEEDLO Cc1noc([C@@H]2CCC[N@H+](CC(=O)NC[C@H]3COc4ccccc4O3)C2)n1 ZINC000329036863 553869044 /nfs/dbraw/zinc/86/90/44/553869044.db2.gz ZABKUGLZIZSQGJ-CABCVRRESA-N 1 2 372.425 2.354 20 30 FEEDLO Cc1noc([C@@H]2CCC[N@@H+](CC(=O)NC[C@H]3COc4ccccc4O3)C2)n1 ZINC000329036863 553869046 /nfs/dbraw/zinc/86/90/46/553869046.db2.gz ZABKUGLZIZSQGJ-CABCVRRESA-N 1 2 372.425 2.354 20 30 FEEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)N[C@@H]3CCOC4(CCCCC4)C3)C[C@H]21 ZINC000329044436 553870810 /nfs/dbraw/zinc/87/08/10/553870810.db2.gz JDWUJGDVOABDEK-BRWVUGGUSA-N 1 2 351.491 2.187 20 30 FEEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)N[C@@H]3CCOC4(CCCCC4)C3)C[C@H]21 ZINC000329044436 553870812 /nfs/dbraw/zinc/87/08/12/553870812.db2.gz JDWUJGDVOABDEK-BRWVUGGUSA-N 1 2 351.491 2.187 20 30 FEEDLO C[C@@H]1CCC[C@H](NC(=O)C[NH+]2CCN(Cc3cnc(N(C)C)nc3)CC2)C1 ZINC000329052498 553872008 /nfs/dbraw/zinc/87/20/08/553872008.db2.gz ADOULHXOKZNWHH-AEFFLSMTSA-N 1 2 374.533 2.195 20 30 FEEDLO O=C(C[N@@H+]1CCN2C(=O)CC[C@H]2C1)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000329071213 553874904 /nfs/dbraw/zinc/87/49/04/553874904.db2.gz YWGLOIDEGUPPEC-OCABNYQQSA-N 1 2 374.485 2.132 20 30 FEEDLO O=C(C[N@H+]1CCN2C(=O)CC[C@H]2C1)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000329071213 553874906 /nfs/dbraw/zinc/87/49/06/553874906.db2.gz YWGLOIDEGUPPEC-OCABNYQQSA-N 1 2 374.485 2.132 20 30 FEEDLO Cn1cc[nH+]c1[C@H](NC(=O)[C@@H]1CC(=O)N(C(C)(C)C)C1)C1CCOCC1 ZINC000329101287 553880661 /nfs/dbraw/zinc/88/06/61/553880661.db2.gz ZRWYQHCIWVUWSN-GDBMZVCRSA-N 1 2 362.474 2.491 20 30 FEEDLO CO[C@@H]1CCC[C@@H]1[C@@H]1COCCN1C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000329117992 553883660 /nfs/dbraw/zinc/88/36/60/553883660.db2.gz JFZDNQOCDWDDGH-IXDOHACOSA-N 1 2 362.474 2.149 20 30 FEEDLO O=C(NC[C@H]1CCCn2cc[nH+]c21)N[C@H]1CC(=O)N(C2CCCCC2)C1 ZINC000329137563 553887287 /nfs/dbraw/zinc/88/72/87/553887287.db2.gz HRFWDUYERWRWIG-CABCVRRESA-N 1 2 359.474 2.198 20 30 FEEDLO C[C@@H](C(=O)NCc1ccc(Cl)cc1)[N@@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000329172294 553895222 /nfs/dbraw/zinc/89/52/22/553895222.db2.gz KYVPDKBIMSTCLV-CORIIIEPSA-N 1 2 356.875 2.304 20 30 FEEDLO C[C@@H](C(=O)NCc1ccc(Cl)cc1)[N@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000329172294 553895224 /nfs/dbraw/zinc/89/52/24/553895224.db2.gz KYVPDKBIMSTCLV-CORIIIEPSA-N 1 2 356.875 2.304 20 30 FEEDLO CC(C)(C)[C@@H]1NC(=O)CC[C@H]1NC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000329178043 553896659 /nfs/dbraw/zinc/89/66/59/553896659.db2.gz CKFFPAUAHMIJEQ-UKRRQHHQSA-N 1 2 354.495 2.134 20 30 FEEDLO COC1CCC(CCNC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)CC1 ZINC000329231283 553907815 /nfs/dbraw/zinc/90/78/15/553907815.db2.gz KNYCWZXDPYICPQ-PBHCIXSXSA-N 1 2 353.507 2.291 20 30 FEEDLO CN(CC1CCCC1)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000329265588 553913719 /nfs/dbraw/zinc/91/37/19/553913719.db2.gz FGYYJHSOEHTAHO-UHFFFAOYSA-N 1 2 359.474 2.137 20 30 FEEDLO CC(C)C1CCN(C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)CC1 ZINC000329293535 553919209 /nfs/dbraw/zinc/91/92/09/553919209.db2.gz RPLJEBXRILAFEM-UHFFFAOYSA-N 1 2 373.501 2.383 20 30 FEEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC([O-])=[NH+]Cc1nnc3n1CCCC3)C2 ZINC000329307586 553922781 /nfs/dbraw/zinc/92/27/81/553922781.db2.gz YKNHBHGMLLCMJZ-ZDUSSCGKSA-N 1 2 371.489 2.127 20 30 FEEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])NCc1nnc3n1CCCC3)C2 ZINC000329307586 553922783 /nfs/dbraw/zinc/92/27/83/553922783.db2.gz YKNHBHGMLLCMJZ-ZDUSSCGKSA-N 1 2 371.489 2.127 20 30 FEEDLO CC[C@H]1CN(C(=O)Nc2cccc3c2OCCC3=O)C[C@H]1[NH+]1CCOCC1 ZINC000329355582 553930430 /nfs/dbraw/zinc/93/04/30/553930430.db2.gz VUHRNGMWACADDK-WMLDXEAASA-N 1 2 373.453 2.240 20 30 FEEDLO C[NH+]1CCN(C(=O)c2cc(NC(=O)N[C@H]3CC34CCCCC4)ccn2)CC1 ZINC000329442549 553947678 /nfs/dbraw/zinc/94/76/78/553947678.db2.gz NHBXHYJCRZGRAM-KRWDZBQOSA-N 1 2 371.485 2.327 20 30 FEEDLO CO[C@@H]1CCN(C(=O)N[C@H](c2[nH+]ccn2C)C2CCOCC2)[C@@H](C)C1 ZINC000329493400 553956975 /nfs/dbraw/zinc/95/69/75/553956975.db2.gz UHEZTSQGCOFELB-IMJJTQAJSA-N 1 2 350.463 2.301 20 30 FEEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)Nc3nc4c(s3)CCCCCC4)C[C@@H]21 ZINC000329496134 553957800 /nfs/dbraw/zinc/95/78/00/553957800.db2.gz FWPCMCCXMNZHHV-UONOGXRCSA-N 1 2 350.488 2.362 20 30 FEEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)Nc3nc4c(s3)CCCCCC4)C[C@@H]21 ZINC000329496134 553957803 /nfs/dbraw/zinc/95/78/03/553957803.db2.gz FWPCMCCXMNZHHV-UONOGXRCSA-N 1 2 350.488 2.362 20 30 FEEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)N[C@@H]3c4ccccc4CC34CCOCC4)C[C@@H]21 ZINC000329628233 553979147 /nfs/dbraw/zinc/97/91/47/553979147.db2.gz UNUYXWMZSRRMJW-IPMKNSEASA-N 1 2 371.481 2.009 20 30 FEEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)N[C@@H]3c4ccccc4CC34CCOCC4)C[C@@H]21 ZINC000329628233 553979150 /nfs/dbraw/zinc/97/91/50/553979150.db2.gz UNUYXWMZSRRMJW-IPMKNSEASA-N 1 2 371.481 2.009 20 30 FEEDLO C[C@H](NC(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1)c1nc(C(F)(F)F)cs1 ZINC000329637163 553980723 /nfs/dbraw/zinc/98/07/23/553980723.db2.gz YMIBZMNODYPILW-LPEHRKFASA-N 1 2 364.393 2.152 20 30 FEEDLO C[C@H](NC(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1)c1nc(C(F)(F)F)cs1 ZINC000329637163 553980724 /nfs/dbraw/zinc/98/07/24/553980724.db2.gz YMIBZMNODYPILW-LPEHRKFASA-N 1 2 364.393 2.152 20 30 FEEDLO O=C(C[NH+]1CCC(NC(=O)N2CC[C@@H](CCO)C2)CC1)Nc1ccccc1 ZINC000329779393 554003947 /nfs/dbraw/zinc/00/39/47/554003947.db2.gz QZABVDIBALYNQG-INIZCTEOSA-N 1 2 374.485 2.357 20 30 FEEDLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)N[C@H]1CCCCC12CCCC2 ZINC000329838002 554015904 /nfs/dbraw/zinc/01/59/04/554015904.db2.gz VNYFGPTZSZDHFK-IRXDYDNUSA-N 1 2 353.507 2.028 20 30 FEEDLO O=C(C1CCCCC1)N1CC[C@H]([NH+]=C([O-])NC[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000329905028 554028344 /nfs/dbraw/zinc/02/83/44/554028344.db2.gz JMGMCMRBGDLPDQ-RDJZCZTQSA-N 1 2 373.501 2.130 20 30 FEEDLO O=C(C1CCCCC1)N1CC[C@H](NC([O-])=[NH+]C[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000329905028 554028345 /nfs/dbraw/zinc/02/83/45/554028345.db2.gz JMGMCMRBGDLPDQ-RDJZCZTQSA-N 1 2 373.501 2.130 20 30 FEEDLO CCN1CCN(C(=O)NC2CCC(C(=O)NC)CC2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329944458 554036870 /nfs/dbraw/zinc/03/68/70/554036870.db2.gz FEZSXYHNNUZZCP-YMAMQOFZSA-N 1 2 362.478 2.147 20 30 FEEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)N[C@@H]3CCOc4c(Cl)cccc43)C[C@H]21 ZINC000329951818 554037938 /nfs/dbraw/zinc/03/79/38/554037938.db2.gz CTGHUQNEVBGBCP-RBSFLKMASA-N 1 2 351.834 2.092 20 30 FEEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)N[C@@H]3CCOc4c(Cl)cccc43)C[C@H]21 ZINC000329951818 554037940 /nfs/dbraw/zinc/03/79/40/554037940.db2.gz CTGHUQNEVBGBCP-RBSFLKMASA-N 1 2 351.834 2.092 20 30 FEEDLO Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1CNC(=O)NCC1(C)CCCC1 ZINC000329966077 554040413 /nfs/dbraw/zinc/04/04/13/554040413.db2.gz VLUCOLKWTJDWEX-GJZGRUSLSA-N 1 2 351.470 2.416 20 30 FEEDLO CN(C)c1ccc(CNC(=O)N[C@@H]2CCN(C(=O)C3CCCCC3)C2)c[nH+]1 ZINC000329988324 554045184 /nfs/dbraw/zinc/04/51/84/554045184.db2.gz UEPDVZJUXUPIOE-QGZVFWFLSA-N 1 2 373.501 2.332 20 30 FEEDLO O=C(C[N@@H+]1CCN2C(=O)NC[C@@H]2C1)NCc1ccccc1OC1CCCC1 ZINC000330003548 554048192 /nfs/dbraw/zinc/04/81/92/554048192.db2.gz BVBKWMQBNJFHBY-MRXNPFEDSA-N 1 2 372.469 2.378 20 30 FEEDLO O=C(C[N@H+]1CCN2C(=O)NC[C@@H]2C1)NCc1ccccc1OC1CCCC1 ZINC000330003548 554048194 /nfs/dbraw/zinc/04/81/94/554048194.db2.gz BVBKWMQBNJFHBY-MRXNPFEDSA-N 1 2 372.469 2.378 20 30 FEEDLO Cn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)cn1 ZINC000330055808 554055935 /nfs/dbraw/zinc/05/59/35/554055935.db2.gz UWZFKTVECFKRSL-YCPHGPKFSA-N 1 2 371.445 2.444 20 30 FEEDLO Cc1ccn2cc(CNC(=O)N3C[C@H](C)O[C@@]4(CCCOC4)C3)[nH+]c2c1 ZINC000330062834 554057420 /nfs/dbraw/zinc/05/74/20/554057420.db2.gz BBPZDBPGIXLYOW-KXBFYZLASA-N 1 2 358.442 2.327 20 30 FEEDLO CC[C@H](C(=O)N[C@@H]1CCC(=O)N[C@@H]1[C@H]1CCCO1)[N@@H+]1CCO[C@H](CC)C1 ZINC000330244785 554092496 /nfs/dbraw/zinc/09/24/96/554092496.db2.gz XIBIZMFIGQNWBN-HBPKQKSZSA-N 1 2 367.490 2.499 20 30 FEEDLO CC[C@H](C(=O)N[C@@H]1CCC(=O)N[C@@H]1[C@H]1CCCO1)[N@H+]1CCO[C@H](CC)C1 ZINC000330244785 554092498 /nfs/dbraw/zinc/09/24/98/554092498.db2.gz XIBIZMFIGQNWBN-HBPKQKSZSA-N 1 2 367.490 2.499 20 30 FEEDLO CC(C)N1C[C@H]([NH+]=C([O-])N[C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)CC1=O ZINC000330251380 554093311 /nfs/dbraw/zinc/09/33/11/554093311.db2.gz NNXGLCYLITWOHB-UONOGXRCSA-N 1 2 361.490 2.008 20 30 FEEDLO CC(C)N1C[C@H](NC([O-])=[NH+][C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)CC1=O ZINC000330251380 554093313 /nfs/dbraw/zinc/09/33/13/554093313.db2.gz NNXGLCYLITWOHB-UONOGXRCSA-N 1 2 361.490 2.008 20 30 FEEDLO C=CCCc1ccccc1NC(=O)C(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000507753595 561739942 /nfs/dbraw/zinc/73/99/42/561739942.db2.gz IAKFHLCGAWRWIF-AEFFLSMTSA-N 1 2 371.481 2.065 20 30 FEEDLO CC(=O)N[C@H](CC1CCC1)C(=O)N1CC[NH+](Cc2c(C)noc2C)CC1 ZINC000330273211 554097278 /nfs/dbraw/zinc/09/72/78/554097278.db2.gz YWGMKFXTVQKMOI-GOSISDBHSA-N 1 2 362.474 2.471 20 30 FEEDLO Cc1sc(NC(=O)CN2CC[NH+](Cc3cnn(C)c3)CC2)c(C#N)c1C ZINC000330310036 554103026 /nfs/dbraw/zinc/10/30/26/554103026.db2.gz NCOOLVCBAXSRLJ-UHFFFAOYSA-N 1 2 372.498 2.376 20 30 FEEDLO Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)Nc2cccc([S@](C)=O)c2)CCO1 ZINC000330358223 554110893 /nfs/dbraw/zinc/11/08/93/554110893.db2.gz UNPYYOCISKBKOG-VAZLSXMYSA-N 1 2 362.455 2.213 20 30 FEEDLO C[C@@H]1C[N@H+](C)[C@@H](C)CN1S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000507933782 561746239 /nfs/dbraw/zinc/74/62/39/561746239.db2.gz IQVIMDABLVMAHB-WDEREUQCSA-N 1 2 361.389 2.290 20 30 FEEDLO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000507933782 561746241 /nfs/dbraw/zinc/74/62/41/561746241.db2.gz IQVIMDABLVMAHB-WDEREUQCSA-N 1 2 361.389 2.290 20 30 FEEDLO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)c2ccc(F)c(C#N)c2)CC1 ZINC000330618790 554146595 /nfs/dbraw/zinc/14/65/95/554146595.db2.gz YOJUYIVLFOOXFS-UHFFFAOYSA-N 1 2 355.417 2.006 20 30 FEEDLO CNC(=O)N[C@@H]1CC[N@H+](CC(=O)N[C@H](c2cccs2)C(C)(C)C)C1 ZINC000330953151 554193605 /nfs/dbraw/zinc/19/36/05/554193605.db2.gz RFLFHKXGAFMWMT-IUODEOHRSA-N 1 2 352.504 2.159 20 30 FEEDLO CNC(=O)N[C@@H]1CC[N@@H+](CC(=O)N[C@H](c2cccs2)C(C)(C)C)C1 ZINC000330953151 554193609 /nfs/dbraw/zinc/19/36/09/554193609.db2.gz RFLFHKXGAFMWMT-IUODEOHRSA-N 1 2 352.504 2.159 20 30 FEEDLO C=CCn1c(CC2CCCCC2)nnc1N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000508487264 561763312 /nfs/dbraw/zinc/76/33/12/561763312.db2.gz FHAJHKKNQHPMKD-GOSISDBHSA-N 1 2 359.518 2.498 20 30 FEEDLO CCc1cnc(N2CC[NH+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC2)s1 ZINC000331276668 554239948 /nfs/dbraw/zinc/23/99/48/554239948.db2.gz RDFZVHJUFVUOTB-RDTXWAMCSA-N 1 2 363.531 2.270 20 30 FEEDLO CCN1CCN([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C[C@@H]1c1[nH]cc[nH+]1 ZINC000331479494 554271342 /nfs/dbraw/zinc/27/13/42/554271342.db2.gz NVTITEPKIGLRHY-XJKSGUPXSA-N 1 2 370.457 2.197 20 30 FEEDLO CC[C@@](C)(C#N)C(=O)Nc1ccc2nc(CC[NH+]3CCOCC3)[nH]c2c1 ZINC000509095397 561784802 /nfs/dbraw/zinc/78/48/02/561784802.db2.gz FCSYSMVNVSNTAP-IBGZPJMESA-N 1 2 355.442 2.316 20 30 FEEDLO CN(Cc1cn2c([nH+]1)CCCC2)S(=O)(=O)Cc1cc(C#N)ccc1F ZINC000331907889 554344053 /nfs/dbraw/zinc/34/40/53/554344053.db2.gz ILXBLJZWLLTQPJ-UHFFFAOYSA-N 1 2 362.430 2.192 20 30 FEEDLO CC[C@@H]1C(=O)NCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000331951266 554351319 /nfs/dbraw/zinc/35/13/19/554351319.db2.gz OFOMMNBKPRJFOR-IUODEOHRSA-N 1 2 374.510 2.284 20 30 FEEDLO CC[C@@H]1C(=O)NCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000331951266 554351321 /nfs/dbraw/zinc/35/13/21/554351321.db2.gz OFOMMNBKPRJFOR-IUODEOHRSA-N 1 2 374.510 2.284 20 30 FEEDLO Cc1cc(C#N)ccc1S(=O)(=O)N1CC([N@H+](C)Cc2ccccc2)C1 ZINC000510516644 561837363 /nfs/dbraw/zinc/83/73/63/561837363.db2.gz CYKZJWZTSTWNKP-UHFFFAOYSA-N 1 2 355.463 2.372 20 30 FEEDLO Cc1cc(C#N)ccc1S(=O)(=O)N1CC([N@@H+](C)Cc2ccccc2)C1 ZINC000510516644 561837364 /nfs/dbraw/zinc/83/73/64/561837364.db2.gz CYKZJWZTSTWNKP-UHFFFAOYSA-N 1 2 355.463 2.372 20 30 FEEDLO Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)[NH+]1CCC(F)(C#N)CC1 ZINC000510918981 561850612 /nfs/dbraw/zinc/85/06/12/561850612.db2.gz FZEUYPTZAFRKNH-HNNXBMFYSA-N 1 2 360.433 2.074 20 30 FEEDLO N#CC1(F)CC[NH+](CC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)CC1 ZINC000510953635 561851973 /nfs/dbraw/zinc/85/19/73/561851973.db2.gz USROFJLFROGDEI-UHFFFAOYSA-N 1 2 372.444 2.191 20 30 FEEDLO C=CCOC[C@@H]1NC(=O)N([C@@H](c2[nH+]ccn2C)c2ccc(Cl)cc2)C1=O ZINC000348501995 554687070 /nfs/dbraw/zinc/68/70/70/554687070.db2.gz RJIVFZNGQGHTFN-LSDHHAIUSA-N 1 2 374.828 2.286 20 30 FEEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCCN(C(=O)c2ccc[nH]2)CC1 ZINC000363649890 555154867 /nfs/dbraw/zinc/15/48/67/555154867.db2.gz BEXZPYAPTXMIFX-HNNXBMFYSA-N 1 2 365.437 2.061 20 30 FEEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCCN(C(=O)c2ccc[nH]2)CC1 ZINC000363649890 555154868 /nfs/dbraw/zinc/15/48/68/555154868.db2.gz BEXZPYAPTXMIFX-HNNXBMFYSA-N 1 2 365.437 2.061 20 30 FEEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCCN(C(=O)c2ccc[nH]2)CC1 ZINC000363654478 555156052 /nfs/dbraw/zinc/15/60/52/555156052.db2.gz HNBCHGSZLQEUPA-OAHLLOKOSA-N 1 2 365.437 2.061 20 30 FEEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCCN(C(=O)c2ccc[nH]2)CC1 ZINC000363654478 555156054 /nfs/dbraw/zinc/15/60/54/555156054.db2.gz HNBCHGSZLQEUPA-OAHLLOKOSA-N 1 2 365.437 2.061 20 30 FEEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(c2nc(N(C)C)no2)CC1 ZINC000364512659 555327100 /nfs/dbraw/zinc/32/71/00/555327100.db2.gz XTDYIEFLLQSWPI-ZDUSSCGKSA-N 1 2 368.441 2.214 20 30 FEEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCCN(c2ncccc2F)CC1 ZINC000364748969 555393306 /nfs/dbraw/zinc/39/33/06/555393306.db2.gz IDSCAAWCBGFSAG-MRXNPFEDSA-N 1 2 373.476 2.464 20 30 FEEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCCN(c2ncccc2F)CC1 ZINC000364748969 555393308 /nfs/dbraw/zinc/39/33/08/555393308.db2.gz IDSCAAWCBGFSAG-MRXNPFEDSA-N 1 2 373.476 2.464 20 30 FEEDLO C#Cc1cccc(NC(=O)CNC(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)c1 ZINC000365582062 555615084 /nfs/dbraw/zinc/61/50/84/555615084.db2.gz UOCGEOUDEDSDLQ-OAHLLOKOSA-N 1 2 364.449 2.374 20 30 FEEDLO C#Cc1cccc(NC(=O)CNC(=O)[C@@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)c1 ZINC000365582062 555615085 /nfs/dbraw/zinc/61/50/85/555615085.db2.gz UOCGEOUDEDSDLQ-OAHLLOKOSA-N 1 2 364.449 2.374 20 30 FEEDLO N#C[C@@H]1N(C(=O)c2ccc(-n3cc[nH+]c3)nc2)CCC[C@]12CCCCO2 ZINC000366181397 555774120 /nfs/dbraw/zinc/77/41/20/555774120.db2.gz IWIQCHCUCRUHRL-QFBILLFUSA-N 1 2 351.410 2.335 20 30 FEEDLO N#C[C@H]1N(C(=O)c2ccnc(-n3cc[nH+]c3)c2)CCC[C@@]12CCCCO2 ZINC000366186506 555775088 /nfs/dbraw/zinc/77/50/88/555775088.db2.gz OLBFQOXLNMNJFF-APWZRJJASA-N 1 2 351.410 2.335 20 30 FEEDLO N#Cc1ccc(O[C@@H]2CCN(Cc3[nH+]ccn3CC(F)(F)F)C2)nc1 ZINC000366409583 555835160 /nfs/dbraw/zinc/83/51/60/555835160.db2.gz VLPNOLMHHJISEB-CYBMUJFWSA-N 1 2 351.332 2.365 20 30 FEEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000366526305 555867830 /nfs/dbraw/zinc/86/78/30/555867830.db2.gz NQWOHMAEDCDUGB-LJQANCHMSA-N 1 2 356.470 2.343 20 30 FEEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000366526305 555867831 /nfs/dbraw/zinc/86/78/31/555867831.db2.gz NQWOHMAEDCDUGB-LJQANCHMSA-N 1 2 356.470 2.343 20 30 FEEDLO COc1cc[nH+]cc1CNC(=O)N1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000366644807 555898290 /nfs/dbraw/zinc/89/82/90/555898290.db2.gz BULMZUOEOZZUQZ-SFHVURJKSA-N 1 2 352.394 2.245 20 30 FEEDLO C[C@@H]1C[C@H](N2CCOCC2)C[N@@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000367602527 556094470 /nfs/dbraw/zinc/09/44/70/556094470.db2.gz UHTKDMBSTSWYCM-CVEARBPZSA-N 1 2 374.510 2.036 20 30 FEEDLO C[C@@H]1C[C@H](N2CCOCC2)C[N@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000367602527 556094474 /nfs/dbraw/zinc/09/44/74/556094474.db2.gz UHTKDMBSTSWYCM-CVEARBPZSA-N 1 2 374.510 2.036 20 30 FEEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1CC(=O)Nc1ccccc1SCC#N ZINC000367602527 556094477 /nfs/dbraw/zinc/09/44/77/556094477.db2.gz UHTKDMBSTSWYCM-CVEARBPZSA-N 1 2 374.510 2.036 20 30 FEEDLO C=CCc1ccc(OCC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)c(OC)c1 ZINC000367635123 556101786 /nfs/dbraw/zinc/10/17/86/556101786.db2.gz KCBCLBKYACWCSJ-SJLPKXTDSA-N 1 2 374.481 2.124 20 30 FEEDLO N#C[C@H]1CN(C(=O)Nc2ccn3cc[nH+]c3c2)C[C@]12C(=O)Nc1ccccc12 ZINC000368112650 556222218 /nfs/dbraw/zinc/22/22/18/556222218.db2.gz FWHKLDIPNOWFDL-RBZFPXEDSA-N 1 2 372.388 2.212 20 30 FEEDLO N#Cc1c(C[N@H+]2CCCN(C(=O)[C@@H]3CCCO3)CC2)cn2ccccc12 ZINC000368913692 556446423 /nfs/dbraw/zinc/44/64/23/556446423.db2.gz VKOJBVFSFUNADM-IBGZPJMESA-N 1 2 352.438 2.024 20 30 FEEDLO N#Cc1c(C[N@@H+]2CCCN(C(=O)[C@@H]3CCCO3)CC2)cn2ccccc12 ZINC000368913692 556446429 /nfs/dbraw/zinc/44/64/29/556446429.db2.gz VKOJBVFSFUNADM-IBGZPJMESA-N 1 2 352.438 2.024 20 30 FEEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](NC(=O)C2CCC2)C1 ZINC000369060076 556492413 /nfs/dbraw/zinc/49/24/13/556492413.db2.gz AMFKLDWHDYQNGT-OAHLLOKOSA-N 1 2 372.494 2.231 20 30 FEEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1CC[C@@H](NC(=O)C2CCC2)C1 ZINC000369060076 556492417 /nfs/dbraw/zinc/49/24/17/556492417.db2.gz AMFKLDWHDYQNGT-OAHLLOKOSA-N 1 2 372.494 2.231 20 30 FEEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C2CCC2)C1 ZINC000369066642 556495229 /nfs/dbraw/zinc/49/52/29/556495229.db2.gz SAWDUDXFUJGNEB-SJLPKXTDSA-N 1 2 368.481 2.312 20 30 FEEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C2CCC2)C1 ZINC000369066642 556495230 /nfs/dbraw/zinc/49/52/30/556495230.db2.gz SAWDUDXFUJGNEB-SJLPKXTDSA-N 1 2 368.481 2.312 20 30 FEEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCO[C@@]2(CCO[C@H]2C)C1 ZINC000369318306 556573500 /nfs/dbraw/zinc/57/35/00/556573500.db2.gz BBYUBNUCTKPCOZ-OXNJRSESSA-N 1 2 363.502 2.186 20 30 FEEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCO[C@@]2(CCO[C@H]2C)C1 ZINC000369318306 556573503 /nfs/dbraw/zinc/57/35/03/556573503.db2.gz BBYUBNUCTKPCOZ-OXNJRSESSA-N 1 2 363.502 2.186 20 30 FEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1Cc2ccccc2[C@@H](n2cccn2)C1 ZINC000369449259 556602984 /nfs/dbraw/zinc/60/29/84/556602984.db2.gz XZIQXMAUNUMPRF-APWZRJJASA-N 1 2 351.454 2.296 20 30 FEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1Cc2ccccc2[C@@H](n2cccn2)C1 ZINC000369449259 556602987 /nfs/dbraw/zinc/60/29/87/556602987.db2.gz XZIQXMAUNUMPRF-APWZRJJASA-N 1 2 351.454 2.296 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCCC[C@H]2Cn2cccn2)cc1 ZINC000370026318 556761360 /nfs/dbraw/zinc/76/13/60/556761360.db2.gz IZGQEMVEOOHFED-KRWDZBQOSA-N 1 2 358.467 2.083 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCCC[C@H]2Cn2cccn2)cc1 ZINC000370026318 556761361 /nfs/dbraw/zinc/76/13/61/556761361.db2.gz IZGQEMVEOOHFED-KRWDZBQOSA-N 1 2 358.467 2.083 20 30 FEEDLO C[C@H](NC(=O)[C@H]1C[N@H+](C)CCO1)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000370555520 556907603 /nfs/dbraw/zinc/90/76/03/556907603.db2.gz HHCHZNWKAHXQLG-BLLLJJGKSA-N 1 2 356.451 2.190 20 30 FEEDLO C[C@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000370555520 556907604 /nfs/dbraw/zinc/90/76/04/556907604.db2.gz HHCHZNWKAHXQLG-BLLLJJGKSA-N 1 2 356.451 2.190 20 30 FEEDLO CC(C)NC(=O)NCC[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000518175050 562105694 /nfs/dbraw/zinc/10/56/94/562105694.db2.gz AZNLBOSVFXTYFY-QGZVFWFLSA-N 1 2 363.893 2.230 20 30 FEEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCCN(C(=O)c2ccc(OC)cc2)CC1 ZINC000371781718 557291960 /nfs/dbraw/zinc/29/19/60/557291960.db2.gz NMIIDRDUYLVNKP-UHFFFAOYSA-N 1 2 371.481 2.044 20 30 FEEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCCN(C(=O)c2ccc(OC)cc2)CC1 ZINC000371781718 557291962 /nfs/dbraw/zinc/29/19/62/557291962.db2.gz NMIIDRDUYLVNKP-UHFFFAOYSA-N 1 2 371.481 2.044 20 30 FEEDLO Cc1noc([C@H]([NH2+][C@@H](C)C(=O)Nc2ccccc2C#N)C2CCOCC2)n1 ZINC000372388924 557457572 /nfs/dbraw/zinc/45/75/72/557457572.db2.gz GJHZNEVWMULANF-YVEFUNNKSA-N 1 2 369.425 2.334 20 30 FEEDLO CC(C)(NC(=O)COc1cccc(Br)c1C#N)c1[nH]cc[nH+]1 ZINC000519609357 562136888 /nfs/dbraw/zinc/13/68/88/562136888.db2.gz PSYJKAIDFYLJBP-UHFFFAOYSA-N 1 2 363.215 2.474 20 30 FEEDLO N#Cc1ccccc1N1CCC[C@@H](Nc2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000372980951 557602903 /nfs/dbraw/zinc/60/29/03/557602903.db2.gz NLRJLALRFVWXRD-QGZVFWFLSA-N 1 2 364.453 2.266 20 30 FEEDLO N#Cc1ccccc1N1CCC[C@@H](Nc2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000372980951 557602905 /nfs/dbraw/zinc/60/29/05/557602905.db2.gz NLRJLALRFVWXRD-QGZVFWFLSA-N 1 2 364.453 2.266 20 30 FEEDLO Cn1cc(C#N)cc1C(=O)N1CCN(c2cc(C(F)(F)F)cc[nH+]2)CC1 ZINC000373565748 557719154 /nfs/dbraw/zinc/71/91/54/557719154.db2.gz FOVCBDIKEAZLAZ-UHFFFAOYSA-N 1 2 363.343 2.273 20 30 FEEDLO CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000374212572 557844360 /nfs/dbraw/zinc/84/43/60/557844360.db2.gz QOSMMFPSOPETPS-UHFFFAOYSA-N 1 2 367.409 2.025 20 30 FEEDLO CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374212572 557844363 /nfs/dbraw/zinc/84/43/63/557844363.db2.gz QOSMMFPSOPETPS-UHFFFAOYSA-N 1 2 367.409 2.025 20 30 FEEDLO CO/N=C/c1ccc(C(=O)N2CC[NH2+][C@@H](c3ccccc3OC)C2)cc1 ZINC000374346359 557868940 /nfs/dbraw/zinc/86/89/40/557868940.db2.gz RKFITNGTZMYPBT-MNOULKQQSA-N 1 2 353.422 2.462 20 30 FEEDLO CC(=O)Oc1ccc(C[N@@H+]2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)cc1 ZINC000374348361 557869606 /nfs/dbraw/zinc/86/96/06/557869606.db2.gz FXKNCDJYHKOHCT-HRAATJIYSA-N 1 2 361.401 2.457 20 30 FEEDLO CC(=O)Oc1ccc(C[N@H+]2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)cc1 ZINC000374348361 557869607 /nfs/dbraw/zinc/86/96/07/557869607.db2.gz FXKNCDJYHKOHCT-HRAATJIYSA-N 1 2 361.401 2.457 20 30 FEEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCOC[C@@H]1c1c(C)nn(C)c1C ZINC000374497196 557891615 /nfs/dbraw/zinc/89/16/15/557891615.db2.gz PEVWIHVITBBRLL-QGZVFWFLSA-N 1 2 370.453 2.370 20 30 FEEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCOC[C@@H]1c1c(C)nn(C)c1C ZINC000374497196 557891616 /nfs/dbraw/zinc/89/16/16/557891616.db2.gz PEVWIHVITBBRLL-QGZVFWFLSA-N 1 2 370.453 2.370 20 30 FEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](c2nc(N(C)C)no2)C1 ZINC000374626948 557908645 /nfs/dbraw/zinc/90/86/45/557908645.db2.gz NPROELLOTHWZFQ-CVEARBPZSA-N 1 2 369.425 2.101 20 30 FEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](c2nc(N(C)C)no2)C1 ZINC000374626948 557908646 /nfs/dbraw/zinc/90/86/46/557908646.db2.gz NPROELLOTHWZFQ-CVEARBPZSA-N 1 2 369.425 2.101 20 30 FEEDLO Cc1cn2c([nH+]1)CN([C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)CC2 ZINC000374650894 557912114 /nfs/dbraw/zinc/91/21/14/557912114.db2.gz ZKPDRAMAGNIALQ-OAHLLOKOSA-N 1 2 355.417 2.482 20 30 FEEDLO Cc1cn2c([nH+]1)CN(S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N)CC2 ZINC000374659843 557913191 /nfs/dbraw/zinc/91/31/91/557913191.db2.gz DUFUHHWMHAFOGF-UHFFFAOYSA-N 1 2 370.356 2.287 20 30 FEEDLO C[N@@H+]1CCN(C2CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)C(=O)C1 ZINC000374800692 557933523 /nfs/dbraw/zinc/93/35/23/557933523.db2.gz PXOBXPKSQGHWHB-UHFFFAOYSA-N 1 2 366.387 2.320 20 30 FEEDLO C[N@H+]1CCN(C2CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)C(=O)C1 ZINC000374800692 557933525 /nfs/dbraw/zinc/93/35/25/557933525.db2.gz PXOBXPKSQGHWHB-UHFFFAOYSA-N 1 2 366.387 2.320 20 30 FEEDLO C=CCCCS(=O)(=O)N[C@@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000521522410 562177974 /nfs/dbraw/zinc/17/79/74/562177974.db2.gz KVHRTKZTICCMMO-FUHWJXTLSA-N 1 2 352.500 2.162 20 30 FEEDLO C=CCCCS(=O)(=O)N[C@@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000521522410 562177975 /nfs/dbraw/zinc/17/79/75/562177975.db2.gz KVHRTKZTICCMMO-FUHWJXTLSA-N 1 2 352.500 2.162 20 30 FEEDLO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CCC[C@@]3(CNC(=O)O3)C2)cc1 ZINC000375571580 558050571 /nfs/dbraw/zinc/05/05/71/558050571.db2.gz OTHXTOYASXUTLU-OXQOHEQNSA-N 1 2 370.453 2.205 20 30 FEEDLO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CCC[C@@]3(CNC(=O)O3)C2)cc1 ZINC000375571580 558050573 /nfs/dbraw/zinc/05/05/73/558050573.db2.gz OTHXTOYASXUTLU-OXQOHEQNSA-N 1 2 370.453 2.205 20 30 FEEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCO[C@]2(CCCOC2)C1 ZINC000375652079 558062688 /nfs/dbraw/zinc/06/26/88/558062688.db2.gz JWHXPZZAWOVMNR-CAOKTKFFSA-N 1 2 363.502 2.187 20 30 FEEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCO[C@]2(CCCOC2)C1 ZINC000375652079 558062689 /nfs/dbraw/zinc/06/26/89/558062689.db2.gz JWHXPZZAWOVMNR-CAOKTKFFSA-N 1 2 363.502 2.187 20 30 FEEDLO C#CCC(C)(C)C(=O)N1CC[C@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000376234613 558145404 /nfs/dbraw/zinc/14/54/04/558145404.db2.gz HQOAGANRHUEMKD-INIZCTEOSA-N 1 2 363.502 2.190 20 30 FEEDLO C=CCCC(=O)N1CC[NH+]([C@H]2CCCN(Cc3ccccc3)C2=O)CC1 ZINC000376536967 558186993 /nfs/dbraw/zinc/18/69/93/558186993.db2.gz AIKMXXWITLSPQU-IBGZPJMESA-N 1 2 355.482 2.288 20 30 FEEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cn(CCCC#N)c4ccccc34)C[C@@H]21 ZINC000521918777 562186409 /nfs/dbraw/zinc/18/64/09/562186409.db2.gz NXJSDAWLYLPJDY-VQTJNVASSA-N 1 2 366.465 2.490 20 30 FEEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)c3cn(CCCC#N)c4ccccc34)C[C@@H]21 ZINC000521918777 562186410 /nfs/dbraw/zinc/18/64/10/562186410.db2.gz NXJSDAWLYLPJDY-VQTJNVASSA-N 1 2 366.465 2.490 20 30 FEEDLO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)CC(C)(C)C#N)CC2)C1 ZINC000377122875 558271038 /nfs/dbraw/zinc/27/10/38/558271038.db2.gz KZMKLRWXLVSJPT-OAHLLOKOSA-N 1 2 364.490 2.080 20 30 FEEDLO COC(=O)C[C@@H]1COCC[N@@H+]1Cc1ccc(OC)c(OCCCC#N)c1 ZINC000377870552 558438306 /nfs/dbraw/zinc/43/83/06/558438306.db2.gz VJNZABGCIXTVSL-MRXNPFEDSA-N 1 2 362.426 2.142 20 30 FEEDLO COC(=O)C[C@@H]1COCC[N@H+]1Cc1ccc(OC)c(OCCCC#N)c1 ZINC000377870552 558438307 /nfs/dbraw/zinc/43/83/07/558438307.db2.gz VJNZABGCIXTVSL-MRXNPFEDSA-N 1 2 362.426 2.142 20 30 FEEDLO N#C[C@@H]1C[N@@H+](C[C@@H](O)c2c(F)cccc2F)C[C@@]12C(=O)Nc1ccccc12 ZINC000378258661 558513935 /nfs/dbraw/zinc/51/39/35/558513935.db2.gz JOZFQGUWKYGKRO-WYAVIUHXSA-N 1 2 369.371 2.344 20 30 FEEDLO N#C[C@@H]1C[N@H+](C[C@@H](O)c2c(F)cccc2F)C[C@@]12C(=O)Nc1ccccc12 ZINC000378258661 558513936 /nfs/dbraw/zinc/51/39/36/558513936.db2.gz JOZFQGUWKYGKRO-WYAVIUHXSA-N 1 2 369.371 2.344 20 30 FEEDLO CC(=O)Nc1cccc(C[N@@H+]2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)c1 ZINC000378292629 558522036 /nfs/dbraw/zinc/52/20/36/558522036.db2.gz RVQZPYSEYPVAPI-IIBYNOLFSA-N 1 2 360.417 2.490 20 30 FEEDLO CC(=O)Nc1cccc(C[N@H+]2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)c1 ZINC000378292629 558522038 /nfs/dbraw/zinc/52/20/38/558522038.db2.gz RVQZPYSEYPVAPI-IIBYNOLFSA-N 1 2 360.417 2.490 20 30 FEEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCOC[C@@H]1c1c(C)n[nH]c1C ZINC000378328190 558531095 /nfs/dbraw/zinc/53/10/95/558531095.db2.gz BDKLQCFNCLPPMM-MRXNPFEDSA-N 1 2 356.426 2.359 20 30 FEEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCOC[C@@H]1c1c(C)n[nH]c1C ZINC000378328190 558531096 /nfs/dbraw/zinc/53/10/96/558531096.db2.gz BDKLQCFNCLPPMM-MRXNPFEDSA-N 1 2 356.426 2.359 20 30 FEEDLO COC[C@@H]1C[C@H](O)C[N@@H+]1CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000411915365 558987386 /nfs/dbraw/zinc/98/73/86/558987386.db2.gz WFTYKARGJUIANC-KKUMJFAQSA-N 1 2 363.483 2.101 20 30 FEEDLO COC[C@@H]1C[C@H](O)C[N@H+]1CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000411915365 558987387 /nfs/dbraw/zinc/98/73/87/558987387.db2.gz WFTYKARGJUIANC-KKUMJFAQSA-N 1 2 363.483 2.101 20 30 FEEDLO N#Cc1cnc(NCc2ccccc2OCC[NH+]2CCOCC2)c(F)c1 ZINC000413102194 559078290 /nfs/dbraw/zinc/07/82/90/559078290.db2.gz VGKAZLITWQDEJS-UHFFFAOYSA-N 1 2 356.401 2.415 20 30 FEEDLO COc1cc(CNc2cc(N3CC[C@H]([C@H](C)O)C3)nc[nH+]2)ccc1C#N ZINC000413318250 559098361 /nfs/dbraw/zinc/09/83/61/559098361.db2.gz ZVOAOSZFPQVMEL-BBRMVZONSA-N 1 2 353.426 2.176 20 30 FEEDLO COc1cc(CNc2cc(N3CC[C@H]([C@H](C)O)C3)[nH+]cn2)ccc1C#N ZINC000413318250 559098363 /nfs/dbraw/zinc/09/83/63/559098363.db2.gz ZVOAOSZFPQVMEL-BBRMVZONSA-N 1 2 353.426 2.176 20 30 FEEDLO C[N@H+](CCC#N)C[C@H](O)Cn1nc(-c2ccccc2)c2ccccc2c1=O ZINC000414112404 559149680 /nfs/dbraw/zinc/14/96/80/559149680.db2.gz QURPNXPQMIRYRH-KRWDZBQOSA-N 1 2 362.433 2.270 20 30 FEEDLO C[N@@H+](CCC#N)C[C@H](O)Cn1nc(-c2ccccc2)c2ccccc2c1=O ZINC000414112404 559149682 /nfs/dbraw/zinc/14/96/82/559149682.db2.gz QURPNXPQMIRYRH-KRWDZBQOSA-N 1 2 362.433 2.270 20 30 FEEDLO C[N@H+](CCC#N)C[C@@H](O)CN(Cc1cccnc1)c1nc2ccccc2[nH]1 ZINC000414159378 559151120 /nfs/dbraw/zinc/15/11/20/559151120.db2.gz YKQLTLQEIODROG-QGZVFWFLSA-N 1 2 364.453 2.171 20 30 FEEDLO C[N@@H+](CCC#N)C[C@@H](O)CN(Cc1cccnc1)c1nc2ccccc2[nH]1 ZINC000414159378 559151121 /nfs/dbraw/zinc/15/11/21/559151121.db2.gz YKQLTLQEIODROG-QGZVFWFLSA-N 1 2 364.453 2.171 20 30 FEEDLO C[C@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)c1cc(Br)ccc1C#N ZINC000416446699 559313289 /nfs/dbraw/zinc/31/32/89/559313289.db2.gz AGFBLGDTXVHVDC-QWRGUYRKSA-N 1 2 372.288 2.034 20 30 FEEDLO C[C@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)c1cc(Br)ccc1C#N ZINC000416446699 559313290 /nfs/dbraw/zinc/31/32/90/559313290.db2.gz AGFBLGDTXVHVDC-QWRGUYRKSA-N 1 2 372.288 2.034 20 30 FEEDLO N#Cc1ccc(CNC(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)s1 ZINC000420756365 559502549 /nfs/dbraw/zinc/50/25/49/559502549.db2.gz DUACERREVWFWPS-GOSISDBHSA-N 1 2 370.478 2.492 20 30 FEEDLO CC(=O)N[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2SC[C@@H](C)C#N)C1 ZINC000420946948 559513435 /nfs/dbraw/zinc/51/34/35/559513435.db2.gz CGMIQLFYEJSBNH-DZGCQCFKSA-N 1 2 360.483 2.087 20 30 FEEDLO CC(=O)N[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2SC[C@@H](C)C#N)C1 ZINC000420946948 559513436 /nfs/dbraw/zinc/51/34/36/559513436.db2.gz CGMIQLFYEJSBNH-DZGCQCFKSA-N 1 2 360.483 2.087 20 30 FEEDLO O=C(C[N@@H+]1CC[C@@]12CCOC2)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000421012724 559519291 /nfs/dbraw/zinc/51/92/91/559519291.db2.gz FOOUCVDVEWRFAR-KRWDZBQOSA-N 1 2 352.356 2.038 20 30 FEEDLO O=C(C[N@H+]1CC[C@@]12CCOC2)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000421012724 559519292 /nfs/dbraw/zinc/51/92/92/559519292.db2.gz FOOUCVDVEWRFAR-KRWDZBQOSA-N 1 2 352.356 2.038 20 30 FEEDLO N#Cc1ccc(CN2CC[NH+]([C@@H](C(N)=O)c3ccccc3)CC2)cc1F ZINC000421355941 559540079 /nfs/dbraw/zinc/54/00/79/559540079.db2.gz KIWODBGYXBVXQB-LJQANCHMSA-N 1 2 352.413 2.042 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN([C@@H](C(N)=O)c3ccccc3)CC2)cc1F ZINC000421355941 559540080 /nfs/dbraw/zinc/54/00/80/559540080.db2.gz KIWODBGYXBVXQB-LJQANCHMSA-N 1 2 352.413 2.042 20 30 FEEDLO C=CCCn1cc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)nn1 ZINC000424529411 559668497 /nfs/dbraw/zinc/66/84/97/559668497.db2.gz GAKVKWBYJLJKLD-JXMROGBWSA-N 1 2 351.454 2.325 20 30 FEEDLO COc1ccc(C(=O)N2CCN(c3cc(C)[nH+]cc3C#N)CC2)c(OC)c1 ZINC000425218072 559691737 /nfs/dbraw/zinc/69/17/37/559691737.db2.gz XBAYRPGKSKQIKQ-UHFFFAOYSA-N 1 2 366.421 2.241 20 30 FEEDLO C=CCn1cc(CNC(=O)NCCCn2c(C)[nH+]c3ccccc32)nn1 ZINC000425428553 559701795 /nfs/dbraw/zinc/70/17/95/559701795.db2.gz WZCTWEUBEKLFLT-UHFFFAOYSA-N 1 2 353.430 2.012 20 30 FEEDLO COC(=O)c1cnc([C@H](C)[NH2+][C@H](C)C(=O)NC2(C#N)CCCCC2)s1 ZINC000425479669 559704492 /nfs/dbraw/zinc/70/44/92/559704492.db2.gz DNKSIQRHUZBAAS-NEPJUHHUSA-N 1 2 364.471 2.311 20 30 FEEDLO COC(=O)c1cnc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2C#N)s1 ZINC000425481832 559704660 /nfs/dbraw/zinc/70/46/60/559704660.db2.gz GKMPCJIFUYHMOH-GHMZBOCLSA-N 1 2 358.423 2.479 20 30 FEEDLO C=C[C@H](CO)NC(=O)c1cccc(OCc2cn3cc(C)ccc3[nH+]2)c1 ZINC000426848059 559742906 /nfs/dbraw/zinc/74/29/06/559742906.db2.gz KYJNCOLOEIOTBO-MRXNPFEDSA-N 1 2 351.406 2.498 20 30 FEEDLO CC(C)C[C@H](CNC(=O)c1ncc(C#N)cc1Cl)[NH+]1CCOCC1 ZINC000427911793 559765172 /nfs/dbraw/zinc/76/51/72/559765172.db2.gz FBZJUUDBURUBDX-CQSZACIVSA-N 1 2 350.850 2.083 20 30 FEEDLO COC(=O)c1cc(C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)cn1C ZINC000428452945 559775858 /nfs/dbraw/zinc/77/58/58/559775858.db2.gz NXVJBWJUSOPFFL-IBGZPJMESA-N 1 2 352.438 2.194 20 30 FEEDLO COC(=O)[C@]1(c2ccccc2)CC[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000428792806 559783551 /nfs/dbraw/zinc/78/35/51/559783551.db2.gz XYZXWUAJAWCFTE-LJQANCHMSA-N 1 2 369.446 2.375 20 30 FEEDLO COC(=O)[C@]1(c2ccccc2)CC[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000428792806 559783552 /nfs/dbraw/zinc/78/35/52/559783552.db2.gz XYZXWUAJAWCFTE-LJQANCHMSA-N 1 2 369.446 2.375 20 30 FEEDLO CC(=O)Nc1cccc(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)c1C ZINC000429239722 559793500 /nfs/dbraw/zinc/79/35/00/559793500.db2.gz VZGOXTHLFUVHPR-UHFFFAOYSA-N 1 2 373.457 2.033 20 30 FEEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@@H](C)c1ncc(Br)cn1 ZINC000431097157 559833892 /nfs/dbraw/zinc/83/38/92/559833892.db2.gz BADSXEBZIJUWMI-RYUDHWBXSA-N 1 2 353.264 2.479 20 30 FEEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)c(Cl)c1 ZINC000434741343 559908281 /nfs/dbraw/zinc/90/82/81/559908281.db2.gz DRUMZQSWFISAEO-HNNXBMFYSA-N 1 2 353.875 2.212 20 30 FEEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)c(Cl)c1 ZINC000434741343 559908282 /nfs/dbraw/zinc/90/82/82/559908282.db2.gz DRUMZQSWFISAEO-HNNXBMFYSA-N 1 2 353.875 2.212 20 30 FEEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](S(=O)(=O)N3CCCC3)C2)c(Cl)c1 ZINC000439436813 559993883 /nfs/dbraw/zinc/99/38/83/559993883.db2.gz IGJXQMLJGBTARH-OAHLLOKOSA-N 1 2 353.875 2.212 20 30 FEEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](S(=O)(=O)N3CCCC3)C2)c(Cl)c1 ZINC000439436813 559993884 /nfs/dbraw/zinc/99/38/84/559993884.db2.gz IGJXQMLJGBTARH-OAHLLOKOSA-N 1 2 353.875 2.212 20 30 FEEDLO N#Cc1cccc(CCNC(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000440119927 560005057 /nfs/dbraw/zinc/00/50/57/560005057.db2.gz PLRQWISMXAAALC-UHFFFAOYSA-N 1 2 359.389 2.041 20 30 FEEDLO N#Cc1ccc(N2CC[NH+](Cc3nnc(-c4cccc(C#N)c4)o3)CC2)nc1 ZINC000441224450 560026688 /nfs/dbraw/zinc/02/66/88/560026688.db2.gz ZWNUTYZWEUNJTH-UHFFFAOYSA-N 1 2 371.404 2.197 20 30 FEEDLO COc1cc(C[N@@H+](CC(=O)N2CCCC2)C[C@H]2CCCO2)ccc1C#N ZINC000442879235 560060533 /nfs/dbraw/zinc/06/05/33/560060533.db2.gz ILLMBHABOBHSQF-GOSISDBHSA-N 1 2 357.454 2.170 20 30 FEEDLO COc1cc(C[N@H+](CC(=O)N2CCCC2)C[C@H]2CCCO2)ccc1C#N ZINC000442879235 560060534 /nfs/dbraw/zinc/06/05/34/560060534.db2.gz ILLMBHABOBHSQF-GOSISDBHSA-N 1 2 357.454 2.170 20 30 FEEDLO CC[C@H](NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)c1[nH]cc[nH+]1 ZINC000443111569 560071081 /nfs/dbraw/zinc/07/10/81/560071081.db2.gz QZEASOPNWXLQSU-HNNXBMFYSA-N 1 2 360.439 2.368 20 30 FEEDLO CC(C)[C@@H](CNc1ccc(C(F)(F)F)c(C#N)n1)N1CC[NH+](C)CC1 ZINC000443440622 560083951 /nfs/dbraw/zinc/08/39/51/560083951.db2.gz SRBRAGHTLQFNBA-OAHLLOKOSA-N 1 2 355.408 2.656 20 30 FEEDLO Cc1cn2cc(NC(=O)C(=O)N(CCC#N)Cc3ccco3)ccc2[nH+]1 ZINC000446434420 560145907 /nfs/dbraw/zinc/14/59/07/560145907.db2.gz ZGKLAJNWELLKOQ-UHFFFAOYSA-N 1 2 351.366 2.117 20 30 FEEDLO Cn1c(C#N)ccc1C(=O)NC1(c2noc(C[NH+](C)C)n2)CCCCCC1 ZINC000448787719 560199542 /nfs/dbraw/zinc/19/95/42/560199542.db2.gz UMHRCHSQSIWPQO-UHFFFAOYSA-N 1 2 370.457 2.321 20 30 FEEDLO CN(Cc1[nH+]ccn1C)C(=O)COc1cccc(Br)c1C#N ZINC000449163208 560218708 /nfs/dbraw/zinc/21/87/08/560218708.db2.gz VJNTZNTZCZMTAZ-UHFFFAOYSA-N 1 2 363.215 2.092 20 30 FEEDLO Cn1cc(C[N@@H+]2CCCC[C@@H]2CS(C)(=O)=O)c(-c2ccc(C#N)cc2)n1 ZINC000449529148 560232847 /nfs/dbraw/zinc/23/28/47/560232847.db2.gz VFJHCJBXTDBVFY-GOSISDBHSA-N 1 2 372.494 2.358 20 30 FEEDLO Cn1cc(C[N@H+]2CCCC[C@@H]2CS(C)(=O)=O)c(-c2ccc(C#N)cc2)n1 ZINC000449529148 560232848 /nfs/dbraw/zinc/23/28/48/560232848.db2.gz VFJHCJBXTDBVFY-GOSISDBHSA-N 1 2 372.494 2.358 20 30 FEEDLO Cn1cc(I)c(C[NH2+]Cc2ccc(C#N)s2)n1 ZINC000449601868 560234417 /nfs/dbraw/zinc/23/44/17/560234417.db2.gz BENVFDQIHSWDHO-UHFFFAOYSA-N 1 2 358.208 2.248 20 30 FEEDLO CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1ccnn1C)c1cccc(C#N)c1[N+](=O)[O-] ZINC000450472872 560263392 /nfs/dbraw/zinc/26/33/92/560263392.db2.gz YKUPMCIULMOJCZ-HOCLYGCPSA-N 1 2 372.404 2.249 20 30 FEEDLO CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1ccnn1C)c1cccc(C#N)c1[N+](=O)[O-] ZINC000450472872 560263393 /nfs/dbraw/zinc/26/33/93/560263393.db2.gz YKUPMCIULMOJCZ-HOCLYGCPSA-N 1 2 372.404 2.249 20 30 FEEDLO CN(C(=O)C[N@@H+]1C[C@@H](c2ccccc2)[C@](F)(CO)C1)C1(C#N)CCCCC1 ZINC000451272303 560297425 /nfs/dbraw/zinc/29/74/25/560297425.db2.gz VUMZSKPJXJSEQC-GHTZIAJQSA-N 1 2 373.472 2.471 20 30 FEEDLO CN(C(=O)C[N@H+]1C[C@@H](c2ccccc2)[C@](F)(CO)C1)C1(C#N)CCCCC1 ZINC000451272303 560297426 /nfs/dbraw/zinc/29/74/26/560297426.db2.gz VUMZSKPJXJSEQC-GHTZIAJQSA-N 1 2 373.472 2.471 20 30 FEEDLO CN(Cc1[nH+]ccn1C)C(=O)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 ZINC000453688507 560396895 /nfs/dbraw/zinc/39/68/95/560396895.db2.gz CXTCTXKNDHUMCJ-UHFFFAOYSA-N 1 2 369.425 2.066 20 30 FEEDLO CC#CCN(C)C(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000455955572 560501926 /nfs/dbraw/zinc/50/19/26/560501926.db2.gz NVGANTQQXWGICC-UHFFFAOYSA-N 1 2 367.247 2.168 20 30 FEEDLO C[NH+](C)Cc1csc(NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)n1 ZINC000457314784 560561951 /nfs/dbraw/zinc/56/19/51/560561951.db2.gz NHTQELAYODKZQL-INIZCTEOSA-N 1 2 352.460 2.405 20 30 FEEDLO CO[C@@H]1C[C@@H](NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C12CCC2 ZINC000459300445 560678360 /nfs/dbraw/zinc/67/83/60/560678360.db2.gz KDCSQSBDCQFHLK-RTBURBONSA-N 1 2 368.481 2.343 20 30 FEEDLO CSc1ccccc1NC(=O)CN(C)C(=O)C[NH2+][C@H]1CCC[C@@H]1C#N ZINC000459444776 560686714 /nfs/dbraw/zinc/68/67/14/560686714.db2.gz ARTQCPGHZLFFRH-KGLIPLIRSA-N 1 2 360.483 2.087 20 30 FEEDLO COC(=O)CCn1nc(C)c(C[NH+]2CC(Oc3ccc(C#N)cc3)C2)c1C ZINC000459619784 560698309 /nfs/dbraw/zinc/69/83/09/560698309.db2.gz VLFPPXUAJUSUDS-UHFFFAOYSA-N 1 2 368.437 2.198 20 30 FEEDLO C=CCN(Cc1cccs1)C(=O)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000459868397 560715005 /nfs/dbraw/zinc/71/50/05/560715005.db2.gz NFMPLRVDCZJEMA-UHFFFAOYSA-N 1 2 358.467 2.392 20 30 FEEDLO C=C[C@H](CO)NC(=O)N[C@@H]1CC[N@@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000460644670 560748085 /nfs/dbraw/zinc/74/80/85/560748085.db2.gz DWUANECVQUDONQ-DAXOMENPSA-N 1 2 355.841 2.461 20 30 FEEDLO C=C[C@H](CO)NC(=O)N[C@@H]1CC[N@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000460644670 560748086 /nfs/dbraw/zinc/74/80/86/560748086.db2.gz DWUANECVQUDONQ-DAXOMENPSA-N 1 2 355.841 2.461 20 30 FEEDLO N#Cc1cccnc1-n1cc(NC(=O)[C@@H]2CC[N@@H+]2Cc2ccccc2)cn1 ZINC000461752633 560781743 /nfs/dbraw/zinc/78/17/43/560781743.db2.gz VDIUBILVKRQOGB-SFHVURJKSA-N 1 2 358.405 2.352 20 30 FEEDLO N#Cc1cccnc1-n1cc(NC(=O)[C@@H]2CC[N@H+]2Cc2ccccc2)cn1 ZINC000461752633 560781745 /nfs/dbraw/zinc/78/17/45/560781745.db2.gz VDIUBILVKRQOGB-SFHVURJKSA-N 1 2 358.405 2.352 20 30 FEEDLO N#Cc1cccnc1-n1cc(NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cn1 ZINC000462075453 560795209 /nfs/dbraw/zinc/79/52/09/560795209.db2.gz LFNPJXYZQBVIEO-CQSZACIVSA-N 1 2 362.397 2.274 20 30 FEEDLO N#Cc1cccc(NC(=O)CC[N@H+]2CCN(c3cccc(F)c3)C(=O)C2)c1 ZINC000462451600 560810604 /nfs/dbraw/zinc/81/06/04/560810604.db2.gz MVLMRYHSFYKKIA-UHFFFAOYSA-N 1 2 366.396 2.375 20 30 FEEDLO N#Cc1cccc(NC(=O)CC[N@@H+]2CCN(c3cccc(F)c3)C(=O)C2)c1 ZINC000462451600 560810605 /nfs/dbraw/zinc/81/06/05/560810605.db2.gz MVLMRYHSFYKKIA-UHFFFAOYSA-N 1 2 366.396 2.375 20 30 FEEDLO COC(=O)[C@@H]1C[C@H](C2CCCCC2)C[N@@H+]1CC(=O)N(CCC#N)CCC#N ZINC000464823584 560852409 /nfs/dbraw/zinc/85/24/09/560852409.db2.gz QNGBQQQLNYQTNH-ROUUACIJSA-N 1 2 374.485 2.086 20 30 FEEDLO COC(=O)[C@@H]1C[C@H](C2CCCCC2)C[N@H+]1CC(=O)N(CCC#N)CCC#N ZINC000464823584 560852411 /nfs/dbraw/zinc/85/24/11/560852411.db2.gz QNGBQQQLNYQTNH-ROUUACIJSA-N 1 2 374.485 2.086 20 30 FEEDLO COC(=O)[C@H]1c2ccccc2CC[N@H+]1C[C@@H](O)COc1ccc(C#N)cc1 ZINC000464831085 560852729 /nfs/dbraw/zinc/85/27/29/560852729.db2.gz RKNBYXJHUFFVOD-YLJYHZDGSA-N 1 2 366.417 2.070 20 30 FEEDLO COC(=O)[C@H]1c2ccccc2CC[N@@H+]1C[C@@H](O)COc1ccc(C#N)cc1 ZINC000464831085 560852730 /nfs/dbraw/zinc/85/27/30/560852730.db2.gz RKNBYXJHUFFVOD-YLJYHZDGSA-N 1 2 366.417 2.070 20 30 FEEDLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CCN(c3cc(C#N)ccn3)CC2)c1 ZINC000468185447 560924276 /nfs/dbraw/zinc/92/42/76/560924276.db2.gz ATJUIZFDMUGMEP-UHFFFAOYSA-N 1 2 372.432 2.410 20 30 FEEDLO C[C@@H]([NH2+][C@@H](C)C(=O)NC1(C#N)CCC1)c1nc(Cc2ccccc2)no1 ZINC000469771281 560964373 /nfs/dbraw/zinc/96/43/73/560964373.db2.gz ZENVBQKGZJINTF-UONOGXRCSA-N 1 2 353.426 2.262 20 30 FEEDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C ZINC000469990099 560971010 /nfs/dbraw/zinc/97/10/10/560971010.db2.gz FJJAREPXHYLDGZ-LJQANCHMSA-N 1 2 360.458 2.439 20 30 FEEDLO N#CCC[N@H+](CCN1CCOCC1)C[C@@H](O)Cc1ccc2ccccc2c1 ZINC000470763095 560989116 /nfs/dbraw/zinc/98/91/16/560989116.db2.gz AHYRNDCXCFRFNS-QFIPXVFZSA-N 1 2 367.493 2.291 20 30 FEEDLO N#CCC[N@@H+](CCN1CCOCC1)C[C@@H](O)Cc1ccc2ccccc2c1 ZINC000470763095 560989117 /nfs/dbraw/zinc/98/91/17/560989117.db2.gz AHYRNDCXCFRFNS-QFIPXVFZSA-N 1 2 367.493 2.291 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C[C@@H](O)Cc1ccc2ccccc2c1 ZINC000470763095 560989118 /nfs/dbraw/zinc/98/91/18/560989118.db2.gz AHYRNDCXCFRFNS-QFIPXVFZSA-N 1 2 367.493 2.291 20 30 FEEDLO N#Cc1ccc(C[C@@H](C#N)C(=O)NCc2[nH+]ccn2CC(F)(F)F)cc1 ZINC000472025877 561016346 /nfs/dbraw/zinc/01/63/46/561016346.db2.gz QQYDZBRGTOTRIR-AWEZNQCLSA-N 1 2 361.327 2.316 20 30 FEEDLO C=CCn1cccc1C(=O)N(C)C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1 ZINC000473017734 561040431 /nfs/dbraw/zinc/04/04/31/561040431.db2.gz TUNNWGUXVJRKNR-IRXDYDNUSA-N 1 2 359.449 2.092 20 30 FEEDLO C=CCn1cccc1C(=O)N(C)C[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1 ZINC000473017734 561040432 /nfs/dbraw/zinc/04/04/32/561040432.db2.gz TUNNWGUXVJRKNR-IRXDYDNUSA-N 1 2 359.449 2.092 20 30 FEEDLO N#Cc1ccc([C@@H](C(N)=O)[NH+]2CCC(O)(Cc3cccc(F)c3)CC2)cc1 ZINC000473438999 561050179 /nfs/dbraw/zinc/05/01/79/561050179.db2.gz DMZJUDYZGVOLQC-IBGZPJMESA-N 1 2 367.424 2.293 20 30 FEEDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1cnn(C)c1C#N)c1ccc(Cl)cc1 ZINC000474425338 561073785 /nfs/dbraw/zinc/07/37/85/561073785.db2.gz HKAKHAJLSDXEGX-HNNXBMFYSA-N 1 2 354.801 2.198 20 30 FEEDLO N#Cc1cc(C(=O)NCc2cn3cc(Br)ccc3[nH+]2)ccn1 ZINC000475033965 561088325 /nfs/dbraw/zinc/08/83/25/561088325.db2.gz UDAXTHWQUAUUEC-UHFFFAOYSA-N 1 2 356.183 2.293 20 30 FEEDLO C=CCN1C(=O)c2ccc(C(=O)NCc3ccn4cc[nH+]c4c3)cc2C1=O ZINC000475714197 561103078 /nfs/dbraw/zinc/10/30/78/561103078.db2.gz GZBSUYGHHAQZSY-UHFFFAOYSA-N 1 2 360.373 2.046 20 30 FEEDLO C=CCCC1(C(=O)N2CCO[C@@H](C[N@@H+](C)CC(=O)OC(C)(C)C)C2)CC1 ZINC000477144673 561137792 /nfs/dbraw/zinc/13/77/92/561137792.db2.gz OLONURDCXCUAKW-INIZCTEOSA-N 1 2 366.502 2.234 20 30 FEEDLO C=CCCC1(C(=O)N2CCO[C@@H](C[N@H+](C)CC(=O)OC(C)(C)C)C2)CC1 ZINC000477144673 561137793 /nfs/dbraw/zinc/13/77/93/561137793.db2.gz OLONURDCXCUAKW-INIZCTEOSA-N 1 2 366.502 2.234 20 30 FEEDLO C[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2C#N)C[C@H](CC(F)(F)F)O1 ZINC000528560373 562336346 /nfs/dbraw/zinc/33/63/46/562336346.db2.gz JNVVPYPGKPPHDA-YUELXQCFSA-N 1 2 358.360 2.340 20 30 FEEDLO C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccccc2C#N)C[C@H](CC(F)(F)F)O1 ZINC000528560373 562336347 /nfs/dbraw/zinc/33/63/47/562336347.db2.gz JNVVPYPGKPPHDA-YUELXQCFSA-N 1 2 358.360 2.340 20 30 FEEDLO CCc1ccc(C[NH+]2CCN(C(=O)Cc3ccc(C#N)nc3)CC2)s1 ZINC000528626599 562339079 /nfs/dbraw/zinc/33/90/79/562339079.db2.gz QYQMFIDOVHCDCS-UHFFFAOYSA-N 1 2 354.479 2.464 20 30 FEEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000530342819 562407576 /nfs/dbraw/zinc/40/75/76/562407576.db2.gz KKDBCMKVORENMQ-JBBSTSQOSA-N 1 2 372.494 2.021 20 30 FEEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000530342819 562407577 /nfs/dbraw/zinc/40/75/77/562407577.db2.gz KKDBCMKVORENMQ-JBBSTSQOSA-N 1 2 372.494 2.021 20 30 FEEDLO CC(C)(C)C[N@H+](CCC#N)CC(=O)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000532574075 562482130 /nfs/dbraw/zinc/48/21/30/562482130.db2.gz JOBPLJURZAMNIM-UHFFFAOYSA-N 1 2 374.441 2.368 20 30 FEEDLO CC(C)(C)C[N@@H+](CCC#N)CC(=O)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000532574075 562482131 /nfs/dbraw/zinc/48/21/31/562482131.db2.gz JOBPLJURZAMNIM-UHFFFAOYSA-N 1 2 374.441 2.368 20 30 FEEDLO CN1CC[NH+](Cc2ccc(NS(=O)(=O)c3cccc(C#N)c3)cc2)CC1 ZINC000532737360 562487129 /nfs/dbraw/zinc/48/71/29/562487129.db2.gz PLFSAEYUZSGQEB-UHFFFAOYSA-N 1 2 370.478 2.106 20 30 FEEDLO CC(C)Oc1ccc(NC(=O)C(=O)NCCCCn2cc[nH+]c2)cc1C#N ZINC000533259110 562502954 /nfs/dbraw/zinc/50/29/54/562502954.db2.gz HPRJOJHSKURQBJ-UHFFFAOYSA-N 1 2 369.425 2.077 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@H](C)c1cn(-c2ccccc2)nn1 ZINC000541691615 562617863 /nfs/dbraw/zinc/61/78/63/562617863.db2.gz UMBSQZSKXHEJML-ZRGWGRIASA-N 1 2 354.458 2.361 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000541691612 562617879 /nfs/dbraw/zinc/61/78/79/562617879.db2.gz UMBSQZSKXHEJML-DOXZYTNZSA-N 1 2 354.458 2.361 20 30 FEEDLO C[C@H](C(=O)N(C)C1CCCCC1)[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000545506056 562628409 /nfs/dbraw/zinc/62/84/09/562628409.db2.gz GHRQFSYIVNCCAC-MRXNPFEDSA-N 1 2 355.486 2.255 20 30 FEEDLO CN(C(=O)c1ccc(NCC[NH+]2CCOCC2)c(F)c1)[C@H]1CCC[C@@H]1C#N ZINC000601803902 567851138 /nfs/dbraw/zinc/85/11/38/567851138.db2.gz IMPXZXYQAMPYDC-APWZRJJASA-N 1 2 374.460 2.334 20 30 FEEDLO C[C@@H]1C[NH+](CC(=O)N(C)Cc2ccc(Cl)s2)C[C@@H](C)N1CC#N ZINC000602857746 568002766 /nfs/dbraw/zinc/00/27/66/568002766.db2.gz UPQOEURBISFRBZ-CHWSQXEVSA-N 1 2 354.907 2.278 20 30 FEEDLO COc1cc(F)c(C[N@@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)cc1OC ZINC000568400353 568030586 /nfs/dbraw/zinc/03/05/86/568030586.db2.gz ZCAKACUWPQBOLA-ZDUSSCGKSA-N 1 2 371.416 2.215 20 30 FEEDLO COc1cc(F)c(C[N@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)cc1OC ZINC000568400353 568030587 /nfs/dbraw/zinc/03/05/87/568030587.db2.gz ZCAKACUWPQBOLA-ZDUSSCGKSA-N 1 2 371.416 2.215 20 30 FEEDLO CC(C)CCNC(=O)C1CCN(C(=O)C[N@H+](C)[C@@H]2CCC[C@H]2C#N)CC1 ZINC000602977545 568036379 /nfs/dbraw/zinc/03/63/79/568036379.db2.gz COAZUSPKCRIFQQ-ZWKOTPCHSA-N 1 2 362.518 2.011 20 30 FEEDLO CC(C)CCNC(=O)C1CCN(C(=O)C[N@@H+](C)[C@@H]2CCC[C@H]2C#N)CC1 ZINC000602977545 568036381 /nfs/dbraw/zinc/03/63/81/568036381.db2.gz COAZUSPKCRIFQQ-ZWKOTPCHSA-N 1 2 362.518 2.011 20 30 FEEDLO C[N@H+](CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)[C@@H]1CCC[C@@H]1C#N ZINC000602981084 568037138 /nfs/dbraw/zinc/03/71/38/568037138.db2.gz ZKLDEEMLCQFYJH-BRWVUGGUSA-N 1 2 371.510 2.081 20 30 FEEDLO C[N@@H+](CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)[C@@H]1CCC[C@@H]1C#N ZINC000602981084 568037139 /nfs/dbraw/zinc/03/71/39/568037139.db2.gz ZKLDEEMLCQFYJH-BRWVUGGUSA-N 1 2 371.510 2.081 20 30 FEEDLO C[C@H](Oc1ccc2c(c1)CCC2)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000604538400 568309157 /nfs/dbraw/zinc/30/91/57/568309157.db2.gz FVLYEDUPPNIFIV-KRWDZBQOSA-N 1 2 371.481 2.017 20 30 FEEDLO CC[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)[C@@H]1CCN(c2ccccc2)C1=O ZINC000609488878 568466456 /nfs/dbraw/zinc/46/64/56/568466456.db2.gz CHGQQZWWKLZEIW-XLIONFOSSA-N 1 2 356.470 2.168 20 30 FEEDLO CC[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)[C@@H]1CCN(c2ccccc2)C1=O ZINC000609488878 568466457 /nfs/dbraw/zinc/46/64/57/568466457.db2.gz CHGQQZWWKLZEIW-XLIONFOSSA-N 1 2 356.470 2.168 20 30 FEEDLO C=CCCC1(CNC(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CCCC1 ZINC000669195929 568500910 /nfs/dbraw/zinc/50/09/10/568500910.db2.gz AANXXPMBELCONF-QGZVFWFLSA-N 1 2 370.497 2.419 20 30 FEEDLO C#CCCS(=O)(=O)N1CC[N@@H+](Cc2ccc(C)nc2)C[C@@H]1[C@@H](C)CC ZINC000808302137 674451034 /nfs/dbraw/zinc/45/10/34/674451034.db2.gz CVSFXVVPVAKGIH-QFBILLFUSA-N 1 2 363.527 2.275 20 30 FEEDLO C#CCCS(=O)(=O)N1CC[N@H+](Cc2ccc(C)nc2)C[C@@H]1[C@@H](C)CC ZINC000808302137 674451036 /nfs/dbraw/zinc/45/10/36/674451036.db2.gz CVSFXVVPVAKGIH-QFBILLFUSA-N 1 2 363.527 2.275 20 30 FEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](Cc1cccs1)[C@@H]1C=C[C@H](CO)C1 ZINC000558132623 674484440 /nfs/dbraw/zinc/48/44/40/674484440.db2.gz QJJXCPUXTCULSC-IXDOHACOSA-N 1 2 361.511 2.495 20 30 FEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](Cc1cccs1)[C@@H]1C=C[C@H](CO)C1 ZINC000558132623 674484442 /nfs/dbraw/zinc/48/44/42/674484442.db2.gz QJJXCPUXTCULSC-IXDOHACOSA-N 1 2 361.511 2.495 20 30 FEEDLO Cc1cc(C(N)=[NH+]OCCCOc2cccc(-c3nn[nH]n3)c2)ccc1F ZINC000822191601 606838184 /nfs/dbraw/zinc/83/81/84/606838184.db2.gz LHSBIOSCMZRFQU-UHFFFAOYSA-N 1 2 370.388 2.420 20 30 FEEDLO CC[C@@H]1[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CCN1c1snc(Cl)c1C#N ZINC001049021910 675021436 /nfs/dbraw/zinc/02/14/36/675021436.db2.gz IJPMFGMZENQMPL-NWDGAFQWSA-N 1 2 364.862 2.107 20 30 FEEDLO C=C(Br)CNC(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000069119786 670480874 /nfs/dbraw/zinc/48/08/74/670480874.db2.gz HTSIZSFCAQDESH-UHFFFAOYSA-N 1 2 368.275 2.301 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc1Cl ZINC000609134780 675911451 /nfs/dbraw/zinc/91/14/51/675911451.db2.gz VTKPYQAWPDRMTL-ZDUSSCGKSA-N 1 2 350.831 2.434 20 30 FEEDLO N#CCN1CCC(NC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)CC1 ZINC000609335284 675918921 /nfs/dbraw/zinc/91/89/21/675918921.db2.gz JNQFQDXDSGYQNK-UHFFFAOYSA-N 1 2 362.503 2.238 20 30 FEEDLO C=C(Br)CNC(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000119184043 671894104 /nfs/dbraw/zinc/89/41/04/671894104.db2.gz LRUWYAPEQGINFJ-UHFFFAOYSA-N 1 2 355.236 2.257 20 30 FEEDLO C=CCC(CC=C)C(=O)N1CC[N@@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000121405712 671948578 /nfs/dbraw/zinc/94/85/78/671948578.db2.gz QRKQRDALSIIEDD-MRXNPFEDSA-N 1 2 351.491 2.422 20 30 FEEDLO C=CCC(CC=C)C(=O)N1CC[N@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000121405712 671948579 /nfs/dbraw/zinc/94/85/79/671948579.db2.gz QRKQRDALSIIEDD-MRXNPFEDSA-N 1 2 351.491 2.422 20 30 FEEDLO NC(Cc1cccnc1)=[NH+]OCC(=O)Nc1ccc(OC(F)F)cc1 ZINC000137641221 672142479 /nfs/dbraw/zinc/14/24/79/672142479.db2.gz ZBVOFULNGLPFEE-UHFFFAOYSA-N 1 2 350.325 2.153 20 30 FEEDLO N#Cc1cc(C[NH+]2CCN(c3ccc(Br)cn3)CC2)ccn1 ZINC000610991917 676009336 /nfs/dbraw/zinc/00/93/36/676009336.db2.gz ULSFXPULFNZOLS-UHFFFAOYSA-N 1 2 358.243 2.433 20 30 FEEDLO Cc1cc(C#N)nc(N2CC[NH+]([C@@H](CO)c3ccc(Cl)cc3)CC2)n1 ZINC000587977097 672443702 /nfs/dbraw/zinc/44/37/02/672443702.db2.gz ATDIWNGSQYVCPY-KRWDZBQOSA-N 1 2 357.845 2.166 20 30 FEEDLO N#CC[C@@]1(O)CC[N@@H+]([C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)C1 ZINC000592152422 672764591 /nfs/dbraw/zinc/76/45/91/672764591.db2.gz XNPRCQXGIYVRQT-GDBMZVCRSA-N 1 2 353.344 2.161 20 30 FEEDLO N#CC[C@@]1(O)CC[N@H+]([C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)C1 ZINC000592152422 672764597 /nfs/dbraw/zinc/76/45/97/672764597.db2.gz XNPRCQXGIYVRQT-GDBMZVCRSA-N 1 2 353.344 2.161 20 30 FEEDLO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)Cc1n[nH]c(=O)o1 ZINC000595547187 673264793 /nfs/dbraw/zinc/26/47/93/673264793.db2.gz NJYCNSIGTFFLFY-UHFFFAOYSA-N 1 2 361.427 2.048 20 30 FEEDLO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)Cc1n[nH]c(=O)o1 ZINC000595547187 673264794 /nfs/dbraw/zinc/26/47/94/673264794.db2.gz NJYCNSIGTFFLFY-UHFFFAOYSA-N 1 2 361.427 2.048 20 30 FEEDLO Cn1cc(-c2cc(C[NH+]3CCN(c4ccsc4C#N)CC3)on2)cn1 ZINC000595630362 673275898 /nfs/dbraw/zinc/27/58/98/673275898.db2.gz VMPFEZCIHLUADC-UHFFFAOYSA-N 1 2 354.439 2.330 20 30 FEEDLO N#CCCN(CCC#N)C(=O)C[NH2+][C@H](CO)c1cccc(Cl)c1Cl ZINC000595830408 673328648 /nfs/dbraw/zinc/32/86/48/673328648.db2.gz UVKWNLYZPZVKOB-CQSZACIVSA-N 1 2 369.252 2.272 20 30 FEEDLO C[C@H]1C[N@H+](CCNC(=O)NCc2ccc(C#N)c(Cl)c2)[C@@H](C)CO1 ZINC000596593255 673396095 /nfs/dbraw/zinc/39/60/95/673396095.db2.gz CXNLBFJNLASXJM-STQMWFEESA-N 1 2 350.850 2.120 20 30 FEEDLO C[C@H]1C[N@@H+](CCNC(=O)NCc2ccc(C#N)c(Cl)c2)[C@@H](C)CO1 ZINC000596593255 673396100 /nfs/dbraw/zinc/39/61/00/673396100.db2.gz CXNLBFJNLASXJM-STQMWFEESA-N 1 2 350.850 2.120 20 30 FEEDLO COC(=O)[C@]1([NH2+]C[C@@H](O)CC2(C#N)CCOCC2)CCCC(C)(C)C1 ZINC000599556613 673691356 /nfs/dbraw/zinc/69/13/56/673691356.db2.gz OFYXXGWNSAYTCP-KXBFYZLASA-N 1 2 352.475 2.159 20 30 FEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(c2ccccc2Cl)C1=O ZINC000741710972 673694936 /nfs/dbraw/zinc/69/49/36/673694936.db2.gz KOEPCUQKXIPDEJ-RDJZCZTQSA-N 1 2 359.857 2.049 20 30 FEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(c2ccccc2Cl)C1=O ZINC000741710972 673694939 /nfs/dbraw/zinc/69/49/39/673694939.db2.gz KOEPCUQKXIPDEJ-RDJZCZTQSA-N 1 2 359.857 2.049 20 30 FEEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCc2cc(C(F)(F)F)ccc2C1 ZINC000599635741 673700259 /nfs/dbraw/zinc/70/02/59/673700259.db2.gz VAPBVSDBKPQOTK-LLVKDONJSA-N 1 2 355.360 2.464 20 30 FEEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCc2cc(C(F)(F)F)ccc2C1 ZINC000599635741 673700261 /nfs/dbraw/zinc/70/02/61/673700261.db2.gz VAPBVSDBKPQOTK-LLVKDONJSA-N 1 2 355.360 2.464 20 30 FEEDLO C=CCCn1cc(C(=O)N(CCn2cc[nH+]c2)C2CCSCC2)nn1 ZINC000614670087 676185859 /nfs/dbraw/zinc/18/58/59/676185859.db2.gz SLVLZWCFBRJTJJ-UHFFFAOYSA-N 1 2 360.487 2.089 20 30 FEEDLO Cc1ccc(S(=O)(=O)NCC[NH2+]Cc2cccc(F)c2C#N)s1 ZINC000602013763 673900992 /nfs/dbraw/zinc/90/09/92/673900992.db2.gz WLEOQFUUTMARFQ-UHFFFAOYSA-N 1 2 353.444 2.135 20 30 FEEDLO N#Cc1ccccc1CSCCNC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000548609393 673979862 /nfs/dbraw/zinc/97/98/62/673979862.db2.gz NBSJTUOTZWPFFE-INIZCTEOSA-N 1 2 355.467 2.302 20 30 FEEDLO Cc1nc(SCC(=O)N[C@H]2CCn3cc[nH+]c3C2)c(C#N)c(C)c1C ZINC000548638830 673982653 /nfs/dbraw/zinc/98/26/53/673982653.db2.gz YVARRDYQCUAQEL-AWEZNQCLSA-N 1 2 355.467 2.298 20 30 FEEDLO C[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)c1ncn(C)n1 ZINC000548731629 673990795 /nfs/dbraw/zinc/99/07/95/673990795.db2.gz SOURIXGMZVEHSU-NSHDSACASA-N 1 2 358.471 2.306 20 30 FEEDLO C=CCn1cc(C[NH2+][C@H](C)c2ccc(S(=O)(=O)C(F)F)cc2)nn1 ZINC000818347071 675215714 /nfs/dbraw/zinc/21/57/14/675215714.db2.gz QFOFFXQRRJJKNP-LLVKDONJSA-N 1 2 356.398 2.311 20 30 FEEDLO CC#CC[NH2+]Cc1cn([C@H](C)C(=O)Nc2nc3ccccc3s2)nn1 ZINC000640824436 677189381 /nfs/dbraw/zinc/18/93/81/677189381.db2.gz HPUASWRCQZUPDH-GFCCVEGCSA-N 1 2 354.439 2.200 20 30 FEEDLO CC#CC[NH2+]Cc1cn(C[C@H](O)COc2c(Cl)cccc2Cl)nn1 ZINC000641205537 677196886 /nfs/dbraw/zinc/19/68/86/677196886.db2.gz UZUJXJQVPXBUJK-ZDUSSCGKSA-N 1 2 369.252 2.138 20 30 FEEDLO C[C@H]1C[N@H+](Cc2ccc(OCC#N)cc2)CCN1C(=O)c1cscn1 ZINC000839062273 680734989 /nfs/dbraw/zinc/73/49/89/680734989.db2.gz APXRBZINSMRRHA-AWEZNQCLSA-N 1 2 356.451 2.392 20 30 FEEDLO C[C@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)CCN1C(=O)c1cscn1 ZINC000839062273 680734991 /nfs/dbraw/zinc/73/49/91/680734991.db2.gz APXRBZINSMRRHA-AWEZNQCLSA-N 1 2 356.451 2.392 20 30 FEEDLO CN(C)C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000832550147 680147944 /nfs/dbraw/zinc/14/79/44/680147944.db2.gz KVQXOEQGGHQLDT-OAHLLOKOSA-N 1 2 350.850 2.478 20 30 FEEDLO CN(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000832550147 680147949 /nfs/dbraw/zinc/14/79/49/680147949.db2.gz KVQXOEQGGHQLDT-OAHLLOKOSA-N 1 2 350.850 2.478 20 30 FEEDLO C=C[C@](C)(O)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC000832822884 680181064 /nfs/dbraw/zinc/18/10/64/680181064.db2.gz BDVVBBMOZZREFH-INIZCTEOSA-N 1 2 368.275 2.076 20 30 FEEDLO O=C(N1CCC[N@@H+](CC#Cc2cccc(Cl)c2)CC1)[C@]12C[C@H]1COC2 ZINC000981204886 680221311 /nfs/dbraw/zinc/22/13/11/680221311.db2.gz XMFOJPZSBALGFV-PXNSSMCTSA-N 1 2 358.869 2.262 20 30 FEEDLO O=C(N1CCC[N@H+](CC#Cc2cccc(Cl)c2)CC1)[C@]12C[C@H]1COC2 ZINC000981204886 680221312 /nfs/dbraw/zinc/22/13/12/680221312.db2.gz XMFOJPZSBALGFV-PXNSSMCTSA-N 1 2 358.869 2.262 20 30 FEEDLO C=C(Br)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001024667142 680299657 /nfs/dbraw/zinc/29/96/57/680299657.db2.gz DMVNJHKNZCZQJC-TUVASFSCSA-N 1 2 357.292 2.433 20 30 FEEDLO C=C(Br)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001024667142 680299658 /nfs/dbraw/zinc/29/96/58/680299658.db2.gz DMVNJHKNZCZQJC-TUVASFSCSA-N 1 2 357.292 2.433 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](Cc2nncs2)CC1 ZINC000997098887 680347189 /nfs/dbraw/zinc/34/71/89/680347189.db2.gz XWVMJZCRKKSWKK-BMFZPTHFSA-N 1 2 364.515 2.236 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H]([N@H+](C)Cc2snnc2C)C1 ZINC001027415440 680356195 /nfs/dbraw/zinc/35/61/95/680356195.db2.gz LHFBFVDRJNSYHU-XHSDSOJGSA-N 1 2 364.515 2.251 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H]([N@@H+](C)Cc2snnc2C)C1 ZINC001027415440 680356198 /nfs/dbraw/zinc/35/61/98/680356198.db2.gz LHFBFVDRJNSYHU-XHSDSOJGSA-N 1 2 364.515 2.251 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1Cc1csnc1OC ZINC001027888471 680361631 /nfs/dbraw/zinc/36/16/31/680361631.db2.gz PXWMMVDLZOFJFZ-XHSDSOJGSA-N 1 2 365.499 2.214 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1csnc1OC ZINC001027888471 680361633 /nfs/dbraw/zinc/36/16/33/680361633.db2.gz PXWMMVDLZOFJFZ-XHSDSOJGSA-N 1 2 365.499 2.214 20 30 FEEDLO C=C(Br)C[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001033963434 680429391 /nfs/dbraw/zinc/42/93/91/680429391.db2.gz KQRCTZAKUQJJHO-YJNKXOJESA-N 1 2 357.292 2.385 20 30 FEEDLO C=C(Br)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001033963434 680429395 /nfs/dbraw/zinc/42/93/95/680429395.db2.gz KQRCTZAKUQJJHO-YJNKXOJESA-N 1 2 357.292 2.385 20 30 FEEDLO C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1Nc1ncc(C#N)cc1Cl ZINC001043580800 680589021 /nfs/dbraw/zinc/58/90/21/680589021.db2.gz YIJFQRRXOJEYHA-IAQYHMDHSA-N 1 2 358.833 2.221 20 30 FEEDLO C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1Nc1ncc(C#N)cc1Cl ZINC001043580800 680589025 /nfs/dbraw/zinc/58/90/25/680589025.db2.gz YIJFQRRXOJEYHA-IAQYHMDHSA-N 1 2 358.833 2.221 20 30 FEEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CN(c3ccccn3)C[C@H]2C)C1 ZINC001046327427 680645709 /nfs/dbraw/zinc/64/57/09/680645709.db2.gz JYOBICIEEOUMSU-OGWOLHLISA-N 1 2 362.905 2.487 20 30 FEEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CN(c3ccccn3)C[C@H]2C)C1 ZINC001046327427 680645711 /nfs/dbraw/zinc/64/57/11/680645711.db2.gz JYOBICIEEOUMSU-OGWOLHLISA-N 1 2 362.905 2.487 20 30 FEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCO[C@H]2c2nccn2C)C1 ZINC001007525426 680646355 /nfs/dbraw/zinc/64/63/55/680646355.db2.gz QRKNCZHSGGCXJN-ARFHVFGLSA-N 1 2 366.893 2.221 20 30 FEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCO[C@H]2c2nccn2C)C1 ZINC001007525426 680646357 /nfs/dbraw/zinc/64/63/57/680646357.db2.gz QRKNCZHSGGCXJN-ARFHVFGLSA-N 1 2 366.893 2.221 20 30 FEEDLO O=[N+]([O-])c1cc(N[NH+]=Cc2cnc(N3CCOCC3)s2)ccc1F ZINC000769821675 680996393 /nfs/dbraw/zinc/99/63/93/680996393.db2.gz APFKULOWUFZLHI-UHFFFAOYSA-N 1 2 351.363 2.473 20 30 FEEDLO C=C(Br)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1OCC[C@H]1C ZINC001049731074 681037848 /nfs/dbraw/zinc/03/78/48/681037848.db2.gz WYIXTFMFDSAREY-UNQGMJICSA-N 1 2 357.292 2.385 20 30 FEEDLO C=C(Br)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1OCC[C@H]1C ZINC001049731074 681037849 /nfs/dbraw/zinc/03/78/49/681037849.db2.gz WYIXTFMFDSAREY-UNQGMJICSA-N 1 2 357.292 2.385 20 30 FEEDLO C=CCNc1ncc(C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)s1 ZINC000771044609 681038339 /nfs/dbraw/zinc/03/83/39/681038339.db2.gz HSYBAEJREKSJGT-KBPBESRZSA-N 1 2 350.488 2.114 20 30 FEEDLO Cn1nc(Br)c2c1ncnc2N=NCc1cccc2[nH+]ccn21 ZINC000771101702 681042369 /nfs/dbraw/zinc/04/23/69/681042369.db2.gz WJYZCBIAEZCLBM-UHFFFAOYSA-N 1 2 371.202 2.220 20 30 FEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F ZINC001051034077 681060988 /nfs/dbraw/zinc/06/09/88/681060988.db2.gz NCACSLWYLIEADZ-BHYGNILZSA-N 1 2 350.409 2.461 20 30 FEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F ZINC001051034077 681060990 /nfs/dbraw/zinc/06/09/90/681060990.db2.gz NCACSLWYLIEADZ-BHYGNILZSA-N 1 2 350.409 2.461 20 30 FEEDLO CCCCCCCCCS(=O)(=O)N1CC[NH2+]C[C@@H]1c1nccn1C ZINC000846227733 681204697 /nfs/dbraw/zinc/20/46/97/681204697.db2.gz DKZTVQDAHYTLDE-MRXNPFEDSA-N 1 2 356.536 2.447 20 30 FEEDLO CCNC(=O)C[NH+]1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932946700 681333744 /nfs/dbraw/zinc/33/37/44/681333744.db2.gz SWKGQSJZGJADTO-RNFRBKRXSA-N 1 2 354.241 2.225 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCC(S(=O)(=O)N3CCCCC3)CC2)c(F)c1 ZINC000933093005 681361764 /nfs/dbraw/zinc/36/17/64/681361764.db2.gz GLGHFKQLFPTORF-UHFFFAOYSA-N 1 2 365.474 2.477 20 30 FEEDLO COC[C@@H]1COCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000933338570 681395935 /nfs/dbraw/zinc/39/59/35/681395935.db2.gz KSRHFPUQPGOJDC-CYBMUJFWSA-N 1 2 363.483 2.174 20 30 FEEDLO COC[C@@H]1COCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000933338570 681395938 /nfs/dbraw/zinc/39/59/38/681395938.db2.gz KSRHFPUQPGOJDC-CYBMUJFWSA-N 1 2 363.483 2.174 20 30 FEEDLO CC1(C)C[C@@H](N[NH+]=Cc2c(Cl)nc(N)nc2N2CCCC2)CCO1 ZINC000780241391 681808632 /nfs/dbraw/zinc/80/86/32/681808632.db2.gz PGIALYCCIQPTAY-NSHDSACASA-N 1 2 352.870 2.194 20 30 FEEDLO C=C(Cl)C(C)(C)C(=O)N1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000938861305 681954476 /nfs/dbraw/zinc/95/44/76/681954476.db2.gz FYQPKCYKVANBLG-BFHYXJOUSA-N 1 2 364.877 2.019 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2cnns2)CC1(C)C ZINC000940754336 682079777 /nfs/dbraw/zinc/07/97/77/682079777.db2.gz WETNHMJJYUKUEO-OWCLPIDISA-N 1 2 364.515 2.236 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2cnns2)CC1(C)C ZINC000940754336 682079786 /nfs/dbraw/zinc/07/97/86/682079786.db2.gz WETNHMJJYUKUEO-OWCLPIDISA-N 1 2 364.515 2.236 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2nnc(C)s2)CC1(C)C ZINC000941038770 682096224 /nfs/dbraw/zinc/09/62/24/682096224.db2.gz ICTZTFWDHIEHDC-QLFBSQMISA-N 1 2 364.515 2.154 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2nnc(C)s2)CC1(C)C ZINC000941038770 682096232 /nfs/dbraw/zinc/09/62/32/682096232.db2.gz ICTZTFWDHIEHDC-QLFBSQMISA-N 1 2 364.515 2.154 20 30 FEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2CN(c3ccccn3)C[C@H]2C)C1 ZINC000969689974 682272198 /nfs/dbraw/zinc/27/21/98/682272198.db2.gz NBBNZPDZXIFNRB-UKPHBRMFSA-N 1 2 362.905 2.343 20 30 FEEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000852435092 682277620 /nfs/dbraw/zinc/27/76/20/682277620.db2.gz JNQQUNRSHMJXCE-RISCZKNCSA-N 1 2 362.817 2.065 20 30 FEEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000852435092 682277623 /nfs/dbraw/zinc/27/76/23/682277623.db2.gz JNQQUNRSHMJXCE-RISCZKNCSA-N 1 2 362.817 2.065 20 30 FEEDLO C#C[C@H](NC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1)C1CCOCC1 ZINC000856111454 682742944 /nfs/dbraw/zinc/74/29/44/682742944.db2.gz SZBOBEGBEOUJAE-OALUTQOASA-N 1 2 358.507 2.321 20 30 FEEDLO CN(C)S(=O)(=O)c1ccccc1N[NH+]=Cc1ccc2c(c1)CCN2C ZINC000793192921 682870885 /nfs/dbraw/zinc/87/08/85/682870885.db2.gz YNQFLPHSONRLJA-UHFFFAOYSA-N 1 2 358.467 2.375 20 30 FEEDLO C#CCN(CC#CC)CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000794386200 682964288 /nfs/dbraw/zinc/96/42/88/682964288.db2.gz YBYNCUYMEQWQGV-UHFFFAOYSA-N 1 2 358.511 2.272 20 30 FEEDLO C[NH+](C)Cc1cnc(/C=C\C(=O)c2ccc(NS(C)(=O)=O)cc2)s1 ZINC000794709108 682991848 /nfs/dbraw/zinc/99/18/48/682991848.db2.gz XIMOHHYVLNIEQD-HJWRWDBZSA-N 1 2 365.480 2.472 20 30 FEEDLO C=CCN1CC[C@H]([N@H+]2CCN(C(=O)OC(C)(C)C)C[C@@H]2CCC)C1=O ZINC000799163721 683431125 /nfs/dbraw/zinc/43/11/25/683431125.db2.gz MZPLJPNVLQKKGU-HOTGVXAUSA-N 1 2 351.491 2.495 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+]2CCN(C(=O)OC(C)(C)C)C[C@@H]2CCC)C1=O ZINC000799163721 683431126 /nfs/dbraw/zinc/43/11/26/683431126.db2.gz MZPLJPNVLQKKGU-HOTGVXAUSA-N 1 2 351.491 2.495 20 30 FEEDLO Cc1cc(C#N)cc(C)c1C[N@H+](C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000930111610 683680475 /nfs/dbraw/zinc/68/04/75/683680475.db2.gz XRUHHTQBWDQVQT-ZWKOTPCHSA-N 1 2 362.495 2.343 20 30 FEEDLO Cc1cc(C#N)cc(C)c1C[N@@H+](C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000930111610 683680477 /nfs/dbraw/zinc/68/04/77/683680477.db2.gz XRUHHTQBWDQVQT-ZWKOTPCHSA-N 1 2 362.495 2.343 20 30 FEEDLO CCn1c[nH+]cc1CNc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 ZINC000922373380 683709389 /nfs/dbraw/zinc/70/93/89/683709389.db2.gz IRCKPZJNLXMJMB-JZJYNLBNSA-N 1 2 361.471 2.328 20 30 FEEDLO C#CC1(O)CC[NH+](Cc2nc(-c3cccc(Br)c3)no2)CC1 ZINC000931141618 683840344 /nfs/dbraw/zinc/84/03/44/683840344.db2.gz CCCRQZCSVXLOEO-UHFFFAOYSA-N 1 2 362.227 2.459 20 30 FEEDLO C[NH+]1CCN(C2CCN(c3cc(C(F)(F)F)cc(C#N)n3)CC2)CC1 ZINC000866211863 684083209 /nfs/dbraw/zinc/08/32/09/684083209.db2.gz NIGLIXHIMQEEIU-UHFFFAOYSA-N 1 2 353.392 2.188 20 30 FEEDLO C#CCC1(O)CC[NH+](CC(=O)Nc2cc(C)c(Cl)cc2OC)CC1 ZINC000880480632 687052528 /nfs/dbraw/zinc/05/25/28/687052528.db2.gz ZKQMUZVKLJKUPX-UHFFFAOYSA-N 1 2 350.846 2.446 20 30 FEEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1C[C@@H](O)CC2(CCOCC2)C1 ZINC000880582635 687062722 /nfs/dbraw/zinc/06/27/22/687062722.db2.gz AQTIQSIZVWXQNT-HNNXBMFYSA-N 1 2 363.845 2.014 20 30 FEEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1C[C@@H](O)CC2(CCOCC2)C1 ZINC000880582635 687062724 /nfs/dbraw/zinc/06/27/24/687062724.db2.gz AQTIQSIZVWXQNT-HNNXBMFYSA-N 1 2 363.845 2.014 20 30 FEEDLO CC#CC[NH2+]Cc1cn(CC(=O)Nc2ccc(SC(F)F)cc2)nn1 ZINC000880957531 687103255 /nfs/dbraw/zinc/10/32/55/687103255.db2.gz UWPCREHPFVNLJW-UHFFFAOYSA-N 1 2 365.409 2.344 20 30 FEEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2cccc(SC(F)F)c2)C1 ZINC000891606019 689083157 /nfs/dbraw/zinc/08/31/57/689083157.db2.gz JOVAUQKQRZGUGP-ZDUSSCGKSA-N 1 2 367.421 2.154 20 30 FEEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cccc(SC(F)F)c2)C1 ZINC000891606019 689083162 /nfs/dbraw/zinc/08/31/62/689083162.db2.gz JOVAUQKQRZGUGP-ZDUSSCGKSA-N 1 2 367.421 2.154 20 30 FEEDLO N#Cc1sccc1N1CC[NH+]([C@H]2CCC3(C[C@@H]2F)OCCO3)CC1 ZINC000895321160 689695719 /nfs/dbraw/zinc/69/57/19/689695719.db2.gz SSNNOKIBPGHVMV-KBPBESRZSA-N 1 2 351.447 2.375 20 30 FEEDLO NC(=O)[C@@H]([NH2+]CC#C[C@H]1CCCCO1)c1ccc(Br)cc1 ZINC000901704415 690681900 /nfs/dbraw/zinc/68/19/00/690681900.db2.gz TYAZXHJUERPMGU-CABCVRRESA-N 1 2 351.244 2.138 20 30 FEEDLO C=CCOC(=O)[C@@H]([NH3+])Cc1nc(-c2cc(Br)ccc2C)no1 ZINC000904118953 691004988 /nfs/dbraw/zinc/00/49/88/691004988.db2.gz OSHPHTSSYJQVSU-LBPRGKRZSA-N 1 2 366.215 2.407 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H]2c3ccccc3CC[C@@H]2F)nc1 ZINC000905452623 691120610 /nfs/dbraw/zinc/12/06/10/691120610.db2.gz MGFCGDPQRGLCFO-FUHWJXTLSA-N 1 2 359.426 2.342 20 30 FEEDLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2ccc3[nH]c(C#N)cc3n2)CC1 ZINC001164918768 721818243 /nfs/dbraw/zinc/81/82/43/721818243.db2.gz USMBQUOQYFGZST-UHFFFAOYSA-N 1 2 361.453 2.381 20 30 FEEDLO Cc1ccc(C#N)cc1NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000527055481 888725352 /nfs/dbraw/zinc/72/53/52/888725352.db2.gz SERLEWQUSKLOPA-UHFFFAOYSA-N 1 2 354.414 2.039 20 30 FEEDLO C#CCNC(=O)C[N@H+]1CCCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000021393803 539682863 /nfs/dbraw/zinc/68/28/63/539682863.db2.gz PQTLCNYQEVFORU-UHFFFAOYSA-N 1 2 374.794 2.015 20 30 FEEDLO C#CCNC(=O)C[N@@H+]1CCCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000021393803 539682868 /nfs/dbraw/zinc/68/28/68/539682868.db2.gz PQTLCNYQEVFORU-UHFFFAOYSA-N 1 2 374.794 2.015 20 30 FEEDLO Cc1noc(C)c1S(=O)(=O)N1CCC[N@H+](Cc2cccc(C#N)c2)CC1 ZINC000022135777 539691909 /nfs/dbraw/zinc/69/19/09/539691909.db2.gz HAQDVCKHUBGLJK-UHFFFAOYSA-N 1 2 374.466 2.060 20 30 FEEDLO Cc1noc(C)c1S(=O)(=O)N1CCC[N@@H+](Cc2cccc(C#N)c2)CC1 ZINC000022135777 539691915 /nfs/dbraw/zinc/69/19/15/539691915.db2.gz HAQDVCKHUBGLJK-UHFFFAOYSA-N 1 2 374.466 2.060 20 30 FEEDLO COc1ccc([C@@H](C/N=C/c2ccc(O)c(O)c2O)[NH+]2CCOCC2)cc1 ZINC000022728686 539698210 /nfs/dbraw/zinc/69/82/10/539698210.db2.gz DAYNDADZIDSGFD-KKJJZKEWSA-N 1 2 372.421 2.304 20 30 FEEDLO Cc1ccc(CNC(=O)CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000023257752 539710116 /nfs/dbraw/zinc/71/01/16/539710116.db2.gz VAHRHMPPYVFPFB-UHFFFAOYSA-N 1 2 362.477 2.301 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cccc(NC(N)=O)c3)CC2)cc1 ZINC000023796976 539720932 /nfs/dbraw/zinc/72/09/32/539720932.db2.gz BGMJWOVAYCYJQY-UHFFFAOYSA-N 1 2 363.421 2.007 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C[C@H](O)COc3ccc(F)cc3)CC2)cc1 ZINC000025226838 539752043 /nfs/dbraw/zinc/75/20/43/539752043.db2.gz CZKLHCRBOAGCHU-FQEVSTJZSA-N 1 2 369.440 2.255 20 30 FEEDLO C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(Cc2ccc(C#N)cc2F)CC1 ZINC000029682317 539860781 /nfs/dbraw/zinc/86/07/81/539860781.db2.gz WMZJDHZUTHXDME-MRXNPFEDSA-N 1 2 358.461 2.216 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000029857418 539866811 /nfs/dbraw/zinc/86/68/11/539866811.db2.gz DYTHAGWFMWMUTP-QRWLVFNGSA-N 1 2 371.460 2.262 20 30 FEEDLO N#Cc1c(F)cccc1N1CC[NH+](CC(=O)NC(C2CC2)C2CC2)CC1 ZINC000029859296 539866852 /nfs/dbraw/zinc/86/68/52/539866852.db2.gz USTYKTNWCYJEGX-UHFFFAOYSA-N 1 2 356.445 2.124 20 30 FEEDLO CC1(C)C[N@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CCO1 ZINC000030196747 539875625 /nfs/dbraw/zinc/87/56/25/539875625.db2.gz GBRALQJRXUDYJW-UHFFFAOYSA-N 1 2 354.372 2.284 20 30 FEEDLO CC1(C)C[N@@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CCO1 ZINC000030196747 539875628 /nfs/dbraw/zinc/87/56/28/539875628.db2.gz GBRALQJRXUDYJW-UHFFFAOYSA-N 1 2 354.372 2.284 20 30 FEEDLO C=CCOc1ccccc1C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000032459359 539940463 /nfs/dbraw/zinc/94/04/63/539940463.db2.gz GZVZRQASAVUQJD-UHFFFAOYSA-N 1 2 353.422 2.413 20 30 FEEDLO C[C@@H](C(=O)Nc1nccs1)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000042354333 540059966 /nfs/dbraw/zinc/05/99/66/540059966.db2.gz NPSLOFMJSVMUBN-AWEZNQCLSA-N 1 2 355.467 2.160 20 30 FEEDLO Cc1nn(CCC#N)c(C)c1CCC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000046387696 540255372 /nfs/dbraw/zinc/25/53/72/540255372.db2.gz RFAFGIGFSKUVEZ-UHFFFAOYSA-N 1 2 354.458 2.124 20 30 FEEDLO C=CCOc1ccc(/C=C/C(=O)N[C@@H](C)C[NH+]2CCOCC2)cc1OC ZINC000046888418 540275465 /nfs/dbraw/zinc/27/54/65/540275465.db2.gz IWGBGPUDPCJWPL-BVBGJJFLSA-N 1 2 360.454 2.110 20 30 FEEDLO N#Cc1ccnc(N2CCN(C(=O)c3cccc(Cn4cc[nH+]c4)c3)CC2)c1 ZINC000047297524 540302242 /nfs/dbraw/zinc/30/22/42/540302242.db2.gz XWAXDWFYOHWAHN-UHFFFAOYSA-N 1 2 372.432 2.160 20 30 FEEDLO CC(=O)NC1(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCCCC1 ZINC000047609910 540320451 /nfs/dbraw/zinc/32/04/51/540320451.db2.gz KJCIKBGMOJKBIS-UHFFFAOYSA-N 1 2 368.481 2.041 20 30 FEEDLO CC(C)[C@H](CNC(=O)CSCc1ccc(C#N)cc1)[NH+]1CCOCC1 ZINC000048110922 540346257 /nfs/dbraw/zinc/34/62/57/540346257.db2.gz LLSIRQRAUMFATR-SFHVURJKSA-N 1 2 361.511 2.264 20 30 FEEDLO C[C@@H]1CN(c2ccc(CNC(=O)NCC#Cc3ccccc3)c[nH+]2)CCO1 ZINC000048415734 540361841 /nfs/dbraw/zinc/36/18/41/540361841.db2.gz GYNJIBZMVYAIHY-QGZVFWFLSA-N 1 2 364.449 2.158 20 30 FEEDLO C[C@@H]1CN(c2ccc(CNC(=O)NCc3ccc(C#N)cc3)c[nH+]2)CCO1 ZINC000048876784 540376311 /nfs/dbraw/zinc/37/63/11/540376311.db2.gz BQFKLHUOBCSKGD-OAHLLOKOSA-N 1 2 365.437 2.178 20 30 FEEDLO CC(C)CN(C(=O)C[NH+]1CCN(c2cccc(F)c2C#N)CC1)C1CC1 ZINC000052640897 540479118 /nfs/dbraw/zinc/47/91/18/540479118.db2.gz XRNHQAHVYRLWKY-UHFFFAOYSA-N 1 2 358.461 2.466 20 30 FEEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3cc(C(N)=O)cs3)CC2)cc1 ZINC000053179229 540515751 /nfs/dbraw/zinc/51/57/51/540515751.db2.gz YNCAYGAWESZNQQ-UHFFFAOYSA-N 1 2 368.462 2.067 20 30 FEEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cc(C(N)=O)cs3)CC2)cc1 ZINC000053179229 540515753 /nfs/dbraw/zinc/51/57/53/540515753.db2.gz YNCAYGAWESZNQQ-UHFFFAOYSA-N 1 2 368.462 2.067 20 30 FEEDLO C=CC[N@H+](CC(=O)N[C@H](C)C(=O)N1CCCCC1)Cc1ccc(OC)cc1 ZINC000054272674 540579344 /nfs/dbraw/zinc/57/93/44/540579344.db2.gz ATCJATTZXGXYGA-QGZVFWFLSA-N 1 2 373.497 2.200 20 30 FEEDLO C=CC[N@@H+](CC(=O)N[C@H](C)C(=O)N1CCCCC1)Cc1ccc(OC)cc1 ZINC000054272674 540579348 /nfs/dbraw/zinc/57/93/48/540579348.db2.gz ATCJATTZXGXYGA-QGZVFWFLSA-N 1 2 373.497 2.200 20 30 FEEDLO CC(C)(C#N)C(=O)N1CC[NH+](CCCc2nc(-c3cccs3)no2)CC1 ZINC000055070008 540626210 /nfs/dbraw/zinc/62/62/10/540626210.db2.gz XTVDGRYBJVEERZ-UHFFFAOYSA-N 1 2 373.482 2.425 20 30 FEEDLO CC(C)[NH+]1CCN(S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000055583972 540661820 /nfs/dbraw/zinc/66/18/20/540661820.db2.gz YXYMGYPVTPZTPJ-UHFFFAOYSA-N 1 2 361.389 2.292 20 30 FEEDLO N#CC1(NC(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)CCCC1 ZINC000065515075 541242225 /nfs/dbraw/zinc/24/22/25/541242225.db2.gz VSJXVHZIHPJVLR-UHFFFAOYSA-N 1 2 351.410 2.478 20 30 FEEDLO C[C@H]1CCC[C@@H](NC(=O)C[NH+]2CCN(Cc3ccccc3C#N)CC2)C1 ZINC000066566626 541337392 /nfs/dbraw/zinc/33/73/92/541337392.db2.gz SWAYFGFOGRFOIV-FXAWDEMLSA-N 1 2 354.498 2.371 20 30 FEEDLO C=C(C)COc1cccc(NC(=O)C(=O)NCc2ccc(N(C)C)[nH+]c2)c1 ZINC000067497264 541472637 /nfs/dbraw/zinc/47/26/37/541472637.db2.gz JDDFHJLZKODCCV-UHFFFAOYSA-N 1 2 368.437 2.357 20 30 FEEDLO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000067653368 541495471 /nfs/dbraw/zinc/49/54/71/541495471.db2.gz WZYZYQLJESVQKO-SFHVURJKSA-N 1 2 356.470 2.266 20 30 FEEDLO CCN(CC)C(=O)[C@@H]1CCC[N@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000067653368 541495475 /nfs/dbraw/zinc/49/54/75/541495475.db2.gz WZYZYQLJESVQKO-SFHVURJKSA-N 1 2 356.470 2.266 20 30 FEEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 ZINC000542962534 541510116 /nfs/dbraw/zinc/51/01/16/541510116.db2.gz SROJQWPXPVJAMX-GFCCVEGCSA-N 1 2 353.361 2.290 20 30 FEEDLO N#Cc1ccsc1NC(=O)C[NH+]1CCC(CN2CCCCC2=O)CC1 ZINC000072663832 541847863 /nfs/dbraw/zinc/84/78/63/541847863.db2.gz ULSPWJCYJKPZFN-UHFFFAOYSA-N 1 2 360.483 2.283 20 30 FEEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CCN(Cc2ccon2)CC1 ZINC000072723194 541858046 /nfs/dbraw/zinc/85/80/46/541858046.db2.gz OHUJZCMVMBOGCX-INIZCTEOSA-N 1 2 374.510 2.457 20 30 FEEDLO Cc1nc(CN2CC[NH+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC2)cs1 ZINC000073368577 541948302 /nfs/dbraw/zinc/94/83/02/541948302.db2.gz DNVYFZKFAGEZQU-KDOFPFPSSA-N 1 2 363.531 2.012 20 30 FEEDLO N#Cc1ccc(F)c(CNC(=O)N2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000074798032 542122792 /nfs/dbraw/zinc/12/27/92/542122792.db2.gz ILIYOFMRBKGXAL-UHFFFAOYSA-N 1 2 353.401 2.120 20 30 FEEDLO N#CCc1ccc(NC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)cc1 ZINC000076083479 542231388 /nfs/dbraw/zinc/23/13/88/542231388.db2.gz KTLNGGLVCUWLPM-SFHVURJKSA-N 1 2 360.483 2.082 20 30 FEEDLO Cc1cc(C#N)ccc1S(=O)(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000077387017 542376660 /nfs/dbraw/zinc/37/66/60/542376660.db2.gz LRLXXMXFQVEEQB-UHFFFAOYSA-N 1 2 361.492 2.265 20 30 FEEDLO Cc1cc(C#N)ccc1S(=O)(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000077387017 542376662 /nfs/dbraw/zinc/37/66/62/542376662.db2.gz LRLXXMXFQVEEQB-UHFFFAOYSA-N 1 2 361.492 2.265 20 30 FEEDLO CCC(=O)N1CCC[N@@H+]([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)CC1 ZINC000077390161 542377256 /nfs/dbraw/zinc/37/72/56/542377256.db2.gz SBEOOFWYIALVDD-OHTSDLOESA-N 1 2 362.518 2.250 20 30 FEEDLO CCC(=O)N1CCC[N@H+]([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)CC1 ZINC000077390161 542377258 /nfs/dbraw/zinc/37/72/58/542377258.db2.gz SBEOOFWYIALVDD-OHTSDLOESA-N 1 2 362.518 2.250 20 30 FEEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc(Br)c3)n2CC)CC1 ZINC000801869790 674153276 /nfs/dbraw/zinc/15/32/76/674153276.db2.gz JAYIYJXLHHBJRY-UHFFFAOYSA-N 1 2 374.286 2.483 20 30 FEEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H]1c1nc2ccccc2n1CC ZINC000084116870 542707620 /nfs/dbraw/zinc/70/76/20/542707620.db2.gz UNSIJVARDQPVMA-MRXNPFEDSA-N 1 2 355.442 2.205 20 30 FEEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1c1nc2ccccc2n1CC ZINC000084116870 542707626 /nfs/dbraw/zinc/70/76/26/542707626.db2.gz UNSIJVARDQPVMA-MRXNPFEDSA-N 1 2 355.442 2.205 20 30 FEEDLO CCOc1ccccc1C[N@H+](C)CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 ZINC000092617630 542875695 /nfs/dbraw/zinc/87/56/95/542875695.db2.gz MCNAROWLPPZKEM-IBGZPJMESA-N 1 2 372.513 2.209 20 30 FEEDLO CCOc1ccccc1C[N@@H+](C)CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 ZINC000092617630 542875697 /nfs/dbraw/zinc/87/56/97/542875697.db2.gz MCNAROWLPPZKEM-IBGZPJMESA-N 1 2 372.513 2.209 20 30 FEEDLO COc1cc(OC)cc(N2CC[C@@H]([N@H+](C)Cc3ccc(C#N)o3)C2=O)c1 ZINC000093840836 542942167 /nfs/dbraw/zinc/94/21/67/542942167.db2.gz FJYGZODUYYMCFU-GOSISDBHSA-N 1 2 355.394 2.406 20 30 FEEDLO COc1cc(OC)cc(N2CC[C@@H]([N@@H+](C)Cc3ccc(C#N)o3)C2=O)c1 ZINC000093840836 542942169 /nfs/dbraw/zinc/94/21/69/542942169.db2.gz FJYGZODUYYMCFU-GOSISDBHSA-N 1 2 355.394 2.406 20 30 FEEDLO CC(C)[C@H](C)NC(=O)C1CC[NH+](CC(=O)Nc2sccc2C#N)CC1 ZINC000101549636 543030794 /nfs/dbraw/zinc/03/07/94/543030794.db2.gz TVMDDTBYMAFPRL-ZDUSSCGKSA-N 1 2 362.499 2.431 20 30 FEEDLO Cc1csc2nc(C[NH+]3CCN(c4ccccc4C#N)CC3)cc(=O)n12 ZINC000101554846 543032476 /nfs/dbraw/zinc/03/24/76/543032476.db2.gz ONDAGJVFESYVTA-UHFFFAOYSA-N 1 2 365.462 2.258 20 30 FEEDLO N#Cc1ccccc1N1CC[NH+](CC(=O)N2CCc3ccccc3C2)CC1 ZINC000101555028 543032509 /nfs/dbraw/zinc/03/25/09/543032509.db2.gz UCAJLDQLOBXSNR-UHFFFAOYSA-N 1 2 360.461 2.265 20 30 FEEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN(Cc2ccccc2OC)CC1 ZINC000102775013 543079937 /nfs/dbraw/zinc/07/99/37/543079937.db2.gz IMCDFZMIAPBIDD-SFHVURJKSA-N 1 2 357.498 2.402 20 30 FEEDLO C=CCN(CC=C)C(=O)[C@H](C)N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000102775013 543079938 /nfs/dbraw/zinc/07/99/38/543079938.db2.gz IMCDFZMIAPBIDD-SFHVURJKSA-N 1 2 357.498 2.402 20 30 FEEDLO CSc1[nH]c(=O)c(C(=O)Nc2ccc(CC[NH+](C)C)cc2)cc1C#N ZINC000102791558 543080850 /nfs/dbraw/zinc/08/08/50/543080850.db2.gz HSGLKNHNACFAPA-UHFFFAOYSA-N 1 2 356.451 2.325 20 30 FEEDLO N#Cc1ccc(N2C(=O)C[C@H]([NH+]3CCN(c4ccccc4)CC3)C2=O)cc1 ZINC000102936438 543086006 /nfs/dbraw/zinc/08/60/06/543086006.db2.gz DIZFFPFTLQDWJI-IBGZPJMESA-N 1 2 360.417 2.012 20 30 FEEDLO CS(=O)(=O)CCCO[NH+]=C(N)c1ccc(OCc2ccccc2)cc1 ZINC000103136169 543094114 /nfs/dbraw/zinc/09/41/14/543094114.db2.gz MZMIJAZSCHQZHJ-UHFFFAOYSA-N 1 2 362.451 2.337 20 30 FEEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000108612098 543297734 /nfs/dbraw/zinc/29/77/34/543297734.db2.gz ZPMUKTLPNOIFNO-CQSZACIVSA-N 1 2 372.494 2.183 20 30 FEEDLO N#Cc1ccccc1N1CCC[C@@H](NC(=O)NCCCn2cc[nH+]c2)C1 ZINC000109163937 543316323 /nfs/dbraw/zinc/31/63/23/543316323.db2.gz IZIPCSGULSKHRS-QGZVFWFLSA-N 1 2 352.442 2.113 20 30 FEEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](N3CCCC3=O)C2)c(C#N)c1C ZINC000111295426 543393706 /nfs/dbraw/zinc/39/37/06/543393706.db2.gz CFGSKEPEWLXMHI-HIFRSBDPSA-N 1 2 358.442 2.182 20 30 FEEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](N3CCCC3=O)C2)c(C#N)c1C ZINC000111295426 543393710 /nfs/dbraw/zinc/39/37/10/543393710.db2.gz CFGSKEPEWLXMHI-HIFRSBDPSA-N 1 2 358.442 2.182 20 30 FEEDLO N#Cc1ccccc1CN1CC[NH+]([C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000112705535 543458569 /nfs/dbraw/zinc/45/85/69/543458569.db2.gz BZSFSJHCGCACBB-NRFANRHFSA-N 1 2 360.461 2.481 20 30 FEEDLO C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)c1ccc(C#N)nc1 ZINC000115060133 543550685 /nfs/dbraw/zinc/55/06/85/543550685.db2.gz DQTRUZLLPXWCIT-KRWDZBQOSA-N 1 2 364.449 2.316 20 30 FEEDLO C[C@@H]([NH2+][C@@H](C)c1nnnn1-c1ccccc1)C(=O)NC1(C#N)CCCCC1 ZINC000115604231 543577797 /nfs/dbraw/zinc/57/77/97/543577797.db2.gz WOHXACPFKBFQHS-LSDHHAIUSA-N 1 2 367.457 2.044 20 30 FEEDLO N#CCCN(CCC#N)C(=O)C[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000117353547 543629592 /nfs/dbraw/zinc/62/95/92/543629592.db2.gz GQUIQVSBKLBBHB-UHFFFAOYSA-N 1 2 370.297 2.459 20 30 FEEDLO N#CCCN(CCC#N)C(=O)C[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000117353547 543629595 /nfs/dbraw/zinc/62/95/95/543629595.db2.gz GQUIQVSBKLBBHB-UHFFFAOYSA-N 1 2 370.297 2.459 20 30 FEEDLO Cc1cc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)c(Cl)cc1F ZINC000124628973 543833089 /nfs/dbraw/zinc/83/30/89/543833089.db2.gz ISCVKTYXPYQWDS-UHFFFAOYSA-N 1 2 353.825 2.476 20 30 FEEDLO N#CCOc1ccc(/C=C/C(=O)NCc2ccnc(-n3cc[nH+]c3)c2)cc1 ZINC000124873213 543847880 /nfs/dbraw/zinc/84/78/80/543847880.db2.gz CWAFDBZRBNPAHM-ZZXKWVIFSA-N 1 2 359.389 2.499 20 30 FEEDLO N#Cc1cccc(OCCC[NH+]2CCN(C(=O)c3ccccc3O)CC2)c1 ZINC000128365811 544048326 /nfs/dbraw/zinc/04/83/26/544048326.db2.gz ZQWQQCMLIJCUJJ-UHFFFAOYSA-N 1 2 365.433 2.491 20 30 FEEDLO N#Cc1ccnc(NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1[N+](=O)[O-] ZINC000132531130 544234373 /nfs/dbraw/zinc/23/43/73/544234373.db2.gz LKXFHCSFTLPLDE-MRXNPFEDSA-N 1 2 353.382 2.174 20 30 FEEDLO N#Cc1ccnc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1[N+](=O)[O-] ZINC000132531130 544234375 /nfs/dbraw/zinc/23/43/75/544234375.db2.gz LKXFHCSFTLPLDE-MRXNPFEDSA-N 1 2 353.382 2.174 20 30 FEEDLO N#Cc1ccc(OC2CN(C(=O)NCCc3cn4c([nH+]3)CCCC4)C2)cc1 ZINC000133458056 544270745 /nfs/dbraw/zinc/27/07/45/544270745.db2.gz LKUJIXQLFZNQLI-UHFFFAOYSA-N 1 2 365.437 2.106 20 30 FEEDLO C=C(C)COCCNC(=O)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000134999222 544330699 /nfs/dbraw/zinc/33/06/99/544330699.db2.gz BADJRGXKDRCNBJ-OAHLLOKOSA-N 1 2 353.488 2.013 20 30 FEEDLO C=C(C)COCCNC(=O)NC[C@@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000135008426 544331039 /nfs/dbraw/zinc/33/10/39/544331039.db2.gz GKPADBFDWRTDOA-IBGZPJMESA-N 1 2 361.486 2.260 20 30 FEEDLO COc1ccc(C[NH+]2CCN(C(=O)c3ccc(O)cc3)CC2)cc1C#N ZINC000135171815 544337213 /nfs/dbraw/zinc/33/72/13/544337213.db2.gz YHGOVASLDLXVFS-UHFFFAOYSA-N 1 2 351.406 2.230 20 30 FEEDLO CCN(C1CC[NH+](CC#Cc2ccccc2Cl)CC1)S(C)(=O)=O ZINC000135187956 544337452 /nfs/dbraw/zinc/33/74/52/544337452.db2.gz LUXXULCGQKBUHL-UHFFFAOYSA-N 1 2 354.903 2.437 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCOC3(CCOCC3)C2)c1 ZINC000135607275 544355966 /nfs/dbraw/zinc/35/59/66/544355966.db2.gz BVBGSTKAKAAWFN-UHFFFAOYSA-N 1 2 371.481 2.432 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCOC3(CCOCC3)C2)c1 ZINC000135607275 544355967 /nfs/dbraw/zinc/35/59/67/544355967.db2.gz BVBGSTKAKAAWFN-UHFFFAOYSA-N 1 2 371.481 2.432 20 30 FEEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CCCC[C@@H]2CO)c1C#N ZINC000153119729 544735483 /nfs/dbraw/zinc/73/54/83/544735483.db2.gz VOPSYDNBPMBFDO-MRXNPFEDSA-N 1 2 370.453 2.403 20 30 FEEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CCCC[C@@H]2CO)c1C#N ZINC000153119729 544735488 /nfs/dbraw/zinc/73/54/88/544735488.db2.gz VOPSYDNBPMBFDO-MRXNPFEDSA-N 1 2 370.453 2.403 20 30 FEEDLO C#CCOc1ccc(F)cc1NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000153646951 544802592 /nfs/dbraw/zinc/80/25/92/544802592.db2.gz OWRKOJNAHVCRPB-INIZCTEOSA-N 1 2 361.417 2.166 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1c[nH]nc1-c1ccccc1F ZINC000154788344 544949858 /nfs/dbraw/zinc/94/98/58/544949858.db2.gz DSVRNHFGECHRNE-UHFFFAOYSA-N 1 2 357.433 2.264 20 30 FEEDLO C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1S(=O)(=O)c1ccc(C#N)o1 ZINC000553533455 674268572 /nfs/dbraw/zinc/26/85/72/674268572.db2.gz LONOUWAYFDGVTJ-GJZGRUSLSA-N 1 2 359.451 2.435 20 30 FEEDLO C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1S(=O)(=O)c1ccc(C#N)o1 ZINC000553533455 674268575 /nfs/dbraw/zinc/26/85/75/674268575.db2.gz LONOUWAYFDGVTJ-GJZGRUSLSA-N 1 2 359.451 2.435 20 30 FEEDLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(Cc2ccc(Cl)cc2C#N)CC1 ZINC000187151672 328005091 /nfs/dbraw/zinc/00/50/91/328005091.db2.gz YVHVBWOEJCDIMW-OAHLLOKOSA-N 1 2 360.889 2.340 20 30 FEEDLO N#Cc1ccc(C(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)cc1O ZINC000189928277 328176710 /nfs/dbraw/zinc/17/67/10/328176710.db2.gz XNDADBZESZKGDA-GOSISDBHSA-N 1 2 351.406 2.067 20 30 FEEDLO Cn1cc(N2CC[NH+](Cc3cc(C#N)ccc3Br)CC2)cn1 ZINC000191802893 328282698 /nfs/dbraw/zinc/28/26/98/328282698.db2.gz SMCCZGXINQKMCX-UHFFFAOYSA-N 1 2 360.259 2.376 20 30 FEEDLO CN(CC1CCCCC1)C(=O)C[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000193767118 328394060 /nfs/dbraw/zinc/39/40/60/328394060.db2.gz UMLSPMKVOLDLCM-UHFFFAOYSA-N 1 2 355.486 2.114 20 30 FEEDLO Cc1cc(N2CCN(C(=O)c3ccnc(C#N)c3)CC2)nc(C(C)C)[nH+]1 ZINC000195117884 328457001 /nfs/dbraw/zinc/45/70/01/328457001.db2.gz VMOUTVKTGRPXHP-UHFFFAOYSA-N 1 2 350.426 2.138 20 30 FEEDLO CCCC(=O)N[C@@H]1CCC[N@@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000083170181 325214522 /nfs/dbraw/zinc/21/45/22/325214522.db2.gz ZIGDBQQSZNRSMO-HUUCEWRRSA-N 1 2 360.483 2.106 20 30 FEEDLO CCCC(=O)N[C@@H]1CCC[N@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000083170181 325214523 /nfs/dbraw/zinc/21/45/23/325214523.db2.gz ZIGDBQQSZNRSMO-HUUCEWRRSA-N 1 2 360.483 2.106 20 30 FEEDLO CCOc1cc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)ccc1OC ZINC000091936671 325398827 /nfs/dbraw/zinc/39/88/27/325398827.db2.gz VAMQBQCBUJQNDX-HNNXBMFYSA-N 1 2 367.453 2.466 20 30 FEEDLO CCOc1cc(C[N@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)ccc1OC ZINC000091936671 325398830 /nfs/dbraw/zinc/39/88/30/325398830.db2.gz VAMQBQCBUJQNDX-HNNXBMFYSA-N 1 2 367.453 2.466 20 30 FEEDLO Cc1ccccc1N1CC[NH+]([C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 ZINC000102936508 325502240 /nfs/dbraw/zinc/50/22/40/325502240.db2.gz ULYIWFLVXQFDPI-HXUWFJFHSA-N 1 2 374.444 2.321 20 30 FEEDLO CCn1cc(C[NH+]2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cn1 ZINC000119630035 326182232 /nfs/dbraw/zinc/18/22/32/326182232.db2.gz YHGRDSNLCWUNCJ-UHFFFAOYSA-N 1 2 352.398 2.345 20 30 FEEDLO CC(C)Oc1ccc(NC(=O)C(=O)N(C)CCCn2cc[nH+]c2)cc1C#N ZINC000119663967 326185781 /nfs/dbraw/zinc/18/57/81/326185781.db2.gz DIVPFBYHKHMMRP-UHFFFAOYSA-N 1 2 369.425 2.029 20 30 FEEDLO COC(=O)[C@@H](c1cccc(C#N)c1)N1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000120051373 326225082 /nfs/dbraw/zinc/22/50/82/326225082.db2.gz BZEPENWEBFIIAO-LJQANCHMSA-N 1 2 350.422 2.298 20 30 FEEDLO Cn1cc[nH+]c1C[C@H]1CCCN(S(=O)(=O)c2ccc(F)c(C#N)c2)C1 ZINC000122057759 326382346 /nfs/dbraw/zinc/38/23/46/326382346.db2.gz LOCMZQZAJHWQKK-CYBMUJFWSA-N 1 2 362.430 2.074 20 30 FEEDLO N#Cc1c(Cl)cccc1S(=O)(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000159317351 326927141 /nfs/dbraw/zinc/92/71/41/326927141.db2.gz FZOBEOWVVNWWHM-GFCCVEGCSA-N 1 2 362.842 2.164 20 30 FEEDLO C[C@H](c1nc(-c2cccnc2)no1)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000171990934 327174852 /nfs/dbraw/zinc/17/48/52/327174852.db2.gz AKXJVRKMWHUREX-CQSZACIVSA-N 1 2 361.409 2.281 20 30 FEEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173468297 327259485 /nfs/dbraw/zinc/25/94/85/327259485.db2.gz DOTGZQKELAOSBK-GFCCVEGCSA-N 1 2 372.410 2.048 20 30 FEEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173468297 327259487 /nfs/dbraw/zinc/25/94/87/327259487.db2.gz DOTGZQKELAOSBK-GFCCVEGCSA-N 1 2 372.410 2.048 20 30 FEEDLO CCc1nsc(N2CCC[N@H+](CC(=O)Nc3ccc(C#N)cc3)CC2)n1 ZINC000174046311 327303755 /nfs/dbraw/zinc/30/37/55/327303755.db2.gz WGNBBFDYFAESAK-UHFFFAOYSA-N 1 2 370.482 2.123 20 30 FEEDLO CCc1nsc(N2CCC[N@@H+](CC(=O)Nc3ccc(C#N)cc3)CC2)n1 ZINC000174046311 327303756 /nfs/dbraw/zinc/30/37/56/327303756.db2.gz WGNBBFDYFAESAK-UHFFFAOYSA-N 1 2 370.482 2.123 20 30 FEEDLO N#Cc1c(NC(=O)C[N@H+]2CCC[C@@H](CC(N)=O)C2)sc2c1CCCCC2 ZINC000175217450 327380565 /nfs/dbraw/zinc/38/05/65/327380565.db2.gz NWXVBMHIVJXIRF-ZDUSSCGKSA-N 1 2 374.510 2.415 20 30 FEEDLO N#Cc1c(NC(=O)C[N@@H+]2CCC[C@@H](CC(N)=O)C2)sc2c1CCCCC2 ZINC000175217450 327380567 /nfs/dbraw/zinc/38/05/67/327380567.db2.gz NWXVBMHIVJXIRF-ZDUSSCGKSA-N 1 2 374.510 2.415 20 30 FEEDLO COc1ccccc1[C@@H]1C[NH2+]CCN1S(=O)(=O)c1ccc(C#N)cc1C ZINC000261641488 328807854 /nfs/dbraw/zinc/80/78/54/328807854.db2.gz GKDPPRDNLXLAHX-KRWDZBQOSA-N 1 2 371.462 2.211 20 30 FEEDLO COC(=O)[C@@]1(C(F)(F)F)CC[N@@H+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000375768039 330248496 /nfs/dbraw/zinc/24/84/96/330248496.db2.gz LEKUXXQBCPXADX-MEDUHNTESA-N 1 2 369.343 2.313 20 30 FEEDLO COC(=O)[C@@]1(C(F)(F)F)CC[N@H+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000375768039 330248497 /nfs/dbraw/zinc/24/84/97/330248497.db2.gz LEKUXXQBCPXADX-MEDUHNTESA-N 1 2 369.343 2.313 20 30 FEEDLO C#C[C@@H](NC(=O)NCC[N@H+]1CCOC[C@H]1C)c1ccc(Cl)cc1F ZINC000805187785 674324935 /nfs/dbraw/zinc/32/49/35/674324935.db2.gz VVFPYENINMOQIM-MLGOLLRUSA-N 1 2 353.825 2.173 20 30 FEEDLO C#C[C@@H](NC(=O)NCC[N@@H+]1CCOC[C@H]1C)c1ccc(Cl)cc1F ZINC000805187785 674324938 /nfs/dbraw/zinc/32/49/38/674324938.db2.gz VVFPYENINMOQIM-MLGOLLRUSA-N 1 2 353.825 2.173 20 30 FEEDLO N#Cc1c[nH]c(C(=O)N2CC[C@H](Oc3ccc[nH+]c3N3CCCC3)C2)c1 ZINC000275584242 526535060 /nfs/dbraw/zinc/53/50/60/526535060.db2.gz JSYLUJLTYUGDHV-HNNXBMFYSA-N 1 2 351.410 2.175 20 30 FEEDLO N#Cc1ccccc1OCC(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000155775490 545569175 /nfs/dbraw/zinc/56/91/75/545569175.db2.gz XAKOKYQWLQIHCW-UHFFFAOYSA-N 1 2 353.397 2.421 20 30 FEEDLO CCO[C@@H]1CCC[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 ZINC000155999898 545590785 /nfs/dbraw/zinc/59/07/85/545590785.db2.gz RCOZWXMHHRUUBY-QGZVFWFLSA-N 1 2 353.426 2.183 20 30 FEEDLO CCO[C@@H]1CCC[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 ZINC000155999898 545590787 /nfs/dbraw/zinc/59/07/87/545590787.db2.gz RCOZWXMHHRUUBY-QGZVFWFLSA-N 1 2 353.426 2.183 20 30 FEEDLO N#Cc1ccc([C@@H](O)C[N@H+]2CCOC[C@H]2C[C@@H](O)c2cccs2)cc1 ZINC000156685847 545647420 /nfs/dbraw/zinc/64/74/20/545647420.db2.gz ULFHBYIZMFTETJ-KURKYZTESA-N 1 2 358.463 2.478 20 30 FEEDLO N#Cc1ccc([C@@H](O)C[N@@H+]2CCOC[C@H]2C[C@@H](O)c2cccs2)cc1 ZINC000156685847 545647421 /nfs/dbraw/zinc/64/74/21/545647421.db2.gz ULFHBYIZMFTETJ-KURKYZTESA-N 1 2 358.463 2.478 20 30 FEEDLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(CC#Cc2cccc(Cl)c2)CC1 ZINC000156792098 545659771 /nfs/dbraw/zinc/65/97/71/545659771.db2.gz DFZXXWXVFKLSBX-KRWDZBQOSA-N 1 2 359.901 2.320 20 30 FEEDLO COC(=O)[C@H]1Cc2ccccc2CN1C(=O)C[N@H+](CCC#N)CC(C)(C)C ZINC000157243804 545718547 /nfs/dbraw/zinc/71/85/47/545718547.db2.gz CWWILSNZIBSLNC-GOSISDBHSA-N 1 2 371.481 2.375 20 30 FEEDLO COC(=O)[C@H]1Cc2ccccc2CN1C(=O)C[N@@H+](CCC#N)CC(C)(C)C ZINC000157243804 545718551 /nfs/dbraw/zinc/71/85/51/545718551.db2.gz CWWILSNZIBSLNC-GOSISDBHSA-N 1 2 371.481 2.375 20 30 FEEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000477930753 561156536 /nfs/dbraw/zinc/15/65/36/561156536.db2.gz LGNRMEFVBAOOHA-CQSZACIVSA-N 1 2 369.387 2.077 20 30 FEEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000477930753 561156537 /nfs/dbraw/zinc/15/65/37/561156537.db2.gz LGNRMEFVBAOOHA-CQSZACIVSA-N 1 2 369.387 2.077 20 30 FEEDLO N#Cc1ccc(CNC(=O)N2CC[NH+](Cc3ccccn3)CC2)c(F)c1 ZINC000160080650 546005527 /nfs/dbraw/zinc/00/55/27/546005527.db2.gz CFLDVBZTJFSKCE-UHFFFAOYSA-N 1 2 353.401 2.120 20 30 FEEDLO COC(C[NH+]1CCN([C@H](C#N)c2ccc(Br)cc2)CC1)OC ZINC000162186331 546138142 /nfs/dbraw/zinc/13/81/42/546138142.db2.gz WEOYTQZNFXCMEK-OAHLLOKOSA-N 1 2 368.275 2.250 20 30 FEEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(NC(=O)c2ccoc2)CC1 ZINC000166387287 546156405 /nfs/dbraw/zinc/15/64/05/546156405.db2.gz OVMUEPRIAWVKTL-AWEZNQCLSA-N 1 2 366.421 2.373 20 30 FEEDLO CC[C@H](C)NC(=O)CO[NH+]=C(N)c1ccc(OCc2cccnc2)cc1 ZINC000171093864 546189823 /nfs/dbraw/zinc/18/98/23/546189823.db2.gz WDZRWIZIXJLJFA-AWEZNQCLSA-N 1 2 356.426 2.212 20 30 FEEDLO CNC(=O)[C@@H]1CCCC[N@@H+]1CC(=O)N(CCC#N)c1ccc(C)c(C)c1 ZINC000175156131 546307115 /nfs/dbraw/zinc/30/71/15/546307115.db2.gz ONAVKPXBGYAYHQ-SFHVURJKSA-N 1 2 356.470 2.151 20 30 FEEDLO CNC(=O)[C@@H]1CCCC[N@H+]1CC(=O)N(CCC#N)c1ccc(C)c(C)c1 ZINC000175156131 546307117 /nfs/dbraw/zinc/30/71/17/546307117.db2.gz ONAVKPXBGYAYHQ-SFHVURJKSA-N 1 2 356.470 2.151 20 30 FEEDLO COCCCOC1CC[NH+]([C@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000177126895 546549956 /nfs/dbraw/zinc/54/99/56/546549956.db2.gz SPQOTYBNMZSYJF-INIZCTEOSA-N 1 2 363.483 2.243 20 30 FEEDLO N#CCCn1ccc(NC(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)n1 ZINC000178442542 546794444 /nfs/dbraw/zinc/79/44/44/546794444.db2.gz MXJRCSKVSVUMRO-UHFFFAOYSA-N 1 2 356.405 2.286 20 30 FEEDLO C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)c1c[nH]c(C#N)c1 ZINC000181279697 547284996 /nfs/dbraw/zinc/28/49/96/547284996.db2.gz YITWDGIMFBYPOG-INIZCTEOSA-N 1 2 352.438 2.249 20 30 FEEDLO C[C@@H]1OCC[C@@H]1[N@H+](CCO)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000483279610 561272644 /nfs/dbraw/zinc/27/26/44/561272644.db2.gz RKFSDRBKEZWZDV-YJBOKZPZSA-N 1 2 355.438 2.209 20 30 FEEDLO C[C@@H]1OCC[C@@H]1[N@@H+](CCO)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000483279610 561272645 /nfs/dbraw/zinc/27/26/45/561272645.db2.gz RKFSDRBKEZWZDV-YJBOKZPZSA-N 1 2 355.438 2.209 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC(C)(C)O[C@@]2(CCCOC2)C1 ZINC000483351060 561274736 /nfs/dbraw/zinc/27/47/36/561274736.db2.gz FPEMZXVSVNLVET-MNEFBYGVSA-N 1 2 351.491 2.089 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC(C)(C)O[C@@]2(CCCOC2)C1 ZINC000483351060 561274737 /nfs/dbraw/zinc/27/47/37/561274737.db2.gz FPEMZXVSVNLVET-MNEFBYGVSA-N 1 2 351.491 2.089 20 30 FEEDLO CC(=O)N1CC[N@H+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)C(C)(C)C1 ZINC000182185982 547449295 /nfs/dbraw/zinc/44/92/95/547449295.db2.gz ZJHFUWZUSCHSEX-UHFFFAOYSA-N 1 2 370.497 2.493 20 30 FEEDLO CC(=O)N1CC[N@@H+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)C(C)(C)C1 ZINC000182185982 547449300 /nfs/dbraw/zinc/44/93/00/547449300.db2.gz ZJHFUWZUSCHSEX-UHFFFAOYSA-N 1 2 370.497 2.493 20 30 FEEDLO CN(C)C(=O)CC1CC[NH+](CC(=O)Nc2ccccc2SCC#N)CC1 ZINC000182237790 547459269 /nfs/dbraw/zinc/45/92/69/547459269.db2.gz CDZHCHMBWUXGLK-UHFFFAOYSA-N 1 2 374.510 2.431 20 30 FEEDLO Cc1ccc(C[N@H+](C)CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)o1 ZINC000182669892 547530349 /nfs/dbraw/zinc/53/03/49/547530349.db2.gz WORQCFOEWKCFAA-KRWDZBQOSA-N 1 2 372.494 2.490 20 30 FEEDLO Cc1ccc(C[N@@H+](C)CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)o1 ZINC000182669892 547530353 /nfs/dbraw/zinc/53/03/53/547530353.db2.gz WORQCFOEWKCFAA-KRWDZBQOSA-N 1 2 372.494 2.490 20 30 FEEDLO COc1c(C)c[nH+]c(CN(C)C(=O)C(=O)Nc2ccc(F)cc2C#N)c1C ZINC000182720240 547539851 /nfs/dbraw/zinc/53/98/51/547539851.db2.gz NDOUXWXSROFBCB-UHFFFAOYSA-N 1 2 370.384 2.315 20 30 FEEDLO C[C@H](C#N)CNC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000182744439 547545406 /nfs/dbraw/zinc/54/54/06/547545406.db2.gz YCFUYXPAFCWCAK-UHOFOFEASA-N 1 2 350.850 2.171 20 30 FEEDLO C[C@H](C#N)CNC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000182744439 547545408 /nfs/dbraw/zinc/54/54/08/547545408.db2.gz YCFUYXPAFCWCAK-UHOFOFEASA-N 1 2 350.850 2.171 20 30 FEEDLO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCO[C@H](COc3ccccc3)C2)cc1 ZINC000484541922 561299454 /nfs/dbraw/zinc/29/94/54/561299454.db2.gz GNYYQXGBNLJEDT-NQIIRXRSSA-N 1 2 368.433 2.078 20 30 FEEDLO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCO[C@H](COc3ccccc3)C2)cc1 ZINC000484541922 561299455 /nfs/dbraw/zinc/29/94/55/561299455.db2.gz GNYYQXGBNLJEDT-NQIIRXRSSA-N 1 2 368.433 2.078 20 30 FEEDLO COc1cccc(-c2noc([C@@H](C)[NH2+]CC(=O)N[C@](C)(C#N)C3CC3)n2)c1 ZINC000185120229 547935700 /nfs/dbraw/zinc/93/57/00/547935700.db2.gz SAHFOXMVONZXKG-CWTRNNRKSA-N 1 2 369.425 2.204 20 30 FEEDLO C[C@H]([NH2+]CC(=O)N[C@@](C)(C#N)C1CC1)c1nc(Cc2ccccc2)no1 ZINC000185383662 547977859 /nfs/dbraw/zinc/97/78/59/547977859.db2.gz YSJKMPYTFQOJOK-DJJJIMSYSA-N 1 2 353.426 2.119 20 30 FEEDLO C=CC[C@@H](C(=O)N1CC[NH+](CC(=O)N(CC)CC)CC1)c1ccccc1 ZINC000187600248 548260064 /nfs/dbraw/zinc/26/00/64/548260064.db2.gz BDGNEJGZMOTDRN-LJQANCHMSA-N 1 2 357.498 2.359 20 30 FEEDLO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000188009918 548269312 /nfs/dbraw/zinc/26/93/12/548269312.db2.gz WVLXMBRHYPMYEZ-MRXNPFEDSA-N 1 2 373.497 2.002 20 30 FEEDLO C=CCn1c(SCC[N@H+]2CCOC[C@@H]2C)nc2sccc2c1=O ZINC000188230950 548274825 /nfs/dbraw/zinc/27/48/25/548274825.db2.gz GWRJOOUCIJVSJU-LBPRGKRZSA-N 1 2 351.497 2.457 20 30 FEEDLO C=CCn1c(SCC[N@@H+]2CCOC[C@@H]2C)nc2sccc2c1=O ZINC000188230950 548274830 /nfs/dbraw/zinc/27/48/30/548274830.db2.gz GWRJOOUCIJVSJU-LBPRGKRZSA-N 1 2 351.497 2.457 20 30 FEEDLO C=CCn1c(=O)c2ccc(C(=O)N(CC)CCC[NH+](C)C)cc2[nH]c1=S ZINC000188893862 548290407 /nfs/dbraw/zinc/29/04/07/548290407.db2.gz WCVPVNSUIDJYBC-UHFFFAOYSA-N 1 2 374.510 2.285 20 30 FEEDLO COC[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C[C@H](C)O1 ZINC000189414886 548302017 /nfs/dbraw/zinc/30/20/17/548302017.db2.gz WTPYQWNMTYDCKM-JBWWOZQKSA-N 1 2 351.491 2.041 20 30 FEEDLO COC[C@@H]1C[N@H+]([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C[C@H](C)O1 ZINC000189414886 548302021 /nfs/dbraw/zinc/30/20/21/548302021.db2.gz WTPYQWNMTYDCKM-JBWWOZQKSA-N 1 2 351.491 2.041 20 30 FEEDLO O=C(CN1CC[NH+](CC#Cc2ccccc2)CC1)N1CCc2ccccc21 ZINC000191957404 548353698 /nfs/dbraw/zinc/35/36/98/548353698.db2.gz HSSQHLOSMNSAJB-UHFFFAOYSA-N 1 2 359.473 2.245 20 30 FEEDLO O=C(C[NH+]1CCN(CC#Cc2ccccc2)CC1)N1CCc2ccccc21 ZINC000191957404 548353702 /nfs/dbraw/zinc/35/37/02/548353702.db2.gz HSSQHLOSMNSAJB-UHFFFAOYSA-N 1 2 359.473 2.245 20 30 FEEDLO C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(O)(c2ccccc2Cl)CC1 ZINC000193132603 548381937 /nfs/dbraw/zinc/38/19/37/548381937.db2.gz BQHUBDCGQVNKEJ-CYBMUJFWSA-N 1 2 365.861 2.024 20 30 FEEDLO CCN(CCC#N)C(=O)C[NH+]1CCN(c2nc3ccccc3s2)CC1 ZINC000194201072 548449159 /nfs/dbraw/zinc/44/91/59/548449159.db2.gz WCCJIWZHMJFEEX-UHFFFAOYSA-N 1 2 357.483 2.180 20 30 FEEDLO N#Cc1ccc(C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)s1 ZINC000486808811 561357055 /nfs/dbraw/zinc/35/70/55/561357055.db2.gz DJMFBDARYAXNPF-UHFFFAOYSA-N 1 2 358.442 2.311 20 30 FEEDLO N#Cc1ccc(C(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)s1 ZINC000487617688 561372745 /nfs/dbraw/zinc/37/27/45/561372745.db2.gz NXDTYOAQOAVSKY-MRXNPFEDSA-N 1 2 355.463 2.293 20 30 FEEDLO C=CC[N@H+](Cc1ncnn1CC(F)F)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000487919021 561378716 /nfs/dbraw/zinc/37/87/16/561378716.db2.gz OTXYTMIUINBSQO-ZDUSSCGKSA-N 1 2 374.399 2.268 20 30 FEEDLO C=CC[N@@H+](Cc1ncnn1CC(F)F)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000487919021 561378717 /nfs/dbraw/zinc/37/87/17/561378717.db2.gz OTXYTMIUINBSQO-ZDUSSCGKSA-N 1 2 374.399 2.268 20 30 FEEDLO C=CCC[C@H](O)C[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1cnn(C)c1 ZINC000248471896 549447679 /nfs/dbraw/zinc/44/76/79/549447679.db2.gz VYUUHQIWONOQRS-DLBZAZTESA-N 1 2 364.490 2.341 20 30 FEEDLO C=CCC[C@H](O)C[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1cnn(C)c1 ZINC000248471896 549447681 /nfs/dbraw/zinc/44/76/81/549447681.db2.gz VYUUHQIWONOQRS-DLBZAZTESA-N 1 2 364.490 2.341 20 30 FEEDLO COCC[N@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)[C@@H]1CCOC1 ZINC000490091843 561426491 /nfs/dbraw/zinc/42/64/91/561426491.db2.gz PZHZGUKDGJOOPM-QGZVFWFLSA-N 1 2 365.861 2.324 20 30 FEEDLO COCC[N@@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)[C@@H]1CCOC1 ZINC000490091843 561426492 /nfs/dbraw/zinc/42/64/92/561426492.db2.gz PZHZGUKDGJOOPM-QGZVFWFLSA-N 1 2 365.861 2.324 20 30 FEEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000264061810 549974210 /nfs/dbraw/zinc/97/42/10/549974210.db2.gz DXJNUDYHSGSQHS-OAHLLOKOSA-N 1 2 353.426 2.396 20 30 FEEDLO C#CCCNC(=O)NC[C@@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCOCC1 ZINC000265100658 550006192 /nfs/dbraw/zinc/00/61/92/550006192.db2.gz TVTGOXVDSUWCQH-INIZCTEOSA-N 1 2 369.387 2.401 20 30 FEEDLO CC(C)CO[C@@H](C)C(N)=[NH+]OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000266166613 550018081 /nfs/dbraw/zinc/01/80/81/550018081.db2.gz AQTVFSQZSYMLNF-NSHDSACASA-N 1 2 353.375 2.311 20 30 FEEDLO CC(=O)N[C@@H]1CC[C@H](C(F)(F)F)N(Cc2c[nH+]c3ccc(C#N)cn23)C1 ZINC000492692196 561452321 /nfs/dbraw/zinc/45/23/21/561452321.db2.gz OWKBROLHZRRULG-UKRRQHHQSA-N 1 2 365.359 2.237 20 30 FEEDLO NC(=O)c1ccc(N2CC[NH+](CC#Cc3cccc(Cl)c3)CC2)nc1 ZINC000269663907 550215038 /nfs/dbraw/zinc/21/50/38/550215038.db2.gz YEMBRXKDZQLISP-UHFFFAOYSA-N 1 2 354.841 2.008 20 30 FEEDLO C#CC[C@H](NC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)c1ccccc1 ZINC000270168532 550253692 /nfs/dbraw/zinc/25/36/92/550253692.db2.gz BEUZPJNCWAOVFP-IBGZPJMESA-N 1 2 367.453 2.101 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)CN1CCc2c([nH+]cn2-c2ccc(F)cc2)C1 ZINC000272762591 550469453 /nfs/dbraw/zinc/46/94/53/550469453.db2.gz PCONZBYTEOEWGH-HXUWFJFHSA-N 1 2 369.444 2.424 20 30 FEEDLO C=CC[C@H](CO)NC(=O)NCc1ccc(N2CCc3ccccc3C2)[nH+]c1 ZINC000273504354 550500905 /nfs/dbraw/zinc/50/09/05/550500905.db2.gz VTSFYMARYYRMFD-LJQANCHMSA-N 1 2 366.465 2.381 20 30 FEEDLO N#Cc1ccc([N+](=O)[O-])c(N2CCN(Cc3cn4ccccc4[nH+]3)CC2)c1 ZINC000274340767 550533268 /nfs/dbraw/zinc/53/32/68/550533268.db2.gz PSEAGFIUFUNQAF-UHFFFAOYSA-N 1 2 362.393 2.436 20 30 FEEDLO C=C(C)CS(=O)(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000276626355 550579463 /nfs/dbraw/zinc/57/94/63/550579463.db2.gz VNSMPTNVADKHNX-UHFFFAOYSA-N 1 2 358.261 2.401 20 30 FEEDLO C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](c2[nH]cc[nH+]2)C(C)C)c1 ZINC000276644889 550580875 /nfs/dbraw/zinc/58/08/75/550580875.db2.gz RGHMQMCRTPTSIY-HNNXBMFYSA-N 1 2 362.455 2.001 20 30 FEEDLO N#Cc1cccc(NC(=O)C2CCN(c3nc[nH+]c(N)c3Cl)CC2)c1 ZINC000277590200 550688642 /nfs/dbraw/zinc/68/86/42/550688642.db2.gz UDVWEXHJEIFLGK-UHFFFAOYSA-N 1 2 356.817 2.439 20 30 FEEDLO N#Cc1cccc(NC(=O)C2CCN(c3[nH+]cnc(N)c3Cl)CC2)c1 ZINC000277590200 550688644 /nfs/dbraw/zinc/68/86/44/550688644.db2.gz UDVWEXHJEIFLGK-UHFFFAOYSA-N 1 2 356.817 2.439 20 30 FEEDLO C=CCn1c(C)cc(C(=O)C[NH+]2CCC(OCCC(=O)NC)CC2)c1C ZINC000494964554 561480099 /nfs/dbraw/zinc/48/00/99/561480099.db2.gz QORBQTGDTVYBEF-UHFFFAOYSA-N 1 2 361.486 2.091 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)cn1 ZINC000278610167 550803921 /nfs/dbraw/zinc/80/39/21/550803921.db2.gz CMNAFOQYTRXJLJ-UHFFFAOYSA-N 1 2 371.466 2.054 20 30 FEEDLO NC(COc1ccc(Cl)cc1Cl)=[NH+]OC[C@H]1CCS(=O)(=O)C1 ZINC000278782673 550821287 /nfs/dbraw/zinc/82/12/87/550821287.db2.gz ZGAKDZDKLHNCPJ-SECBINFHSA-N 1 2 367.254 2.096 20 30 FEEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000280750930 551028276 /nfs/dbraw/zinc/02/82/76/551028276.db2.gz SYHZPONVCAXMMI-CRAIPNDOSA-N 1 2 360.458 2.329 20 30 FEEDLO C=C(C)CN(CC)C(=O)C[NH2+][C@@H](c1ccc(C)cc1)[C@@H](C)S(C)(=O)=O ZINC000280896513 551043510 /nfs/dbraw/zinc/04/35/10/551043510.db2.gz QRIWFYRTJZSQMB-VQIMIIECSA-N 1 2 366.527 2.483 20 30 FEEDLO CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1ccnn1C)c1cc(C#N)ccc1[N+](=O)[O-] ZINC000281619984 551121249 /nfs/dbraw/zinc/12/12/49/551121249.db2.gz ZUEZMUPHESWKDT-HOCLYGCPSA-N 1 2 372.404 2.249 20 30 FEEDLO CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1ccnn1C)c1cc(C#N)ccc1[N+](=O)[O-] ZINC000281619984 551121251 /nfs/dbraw/zinc/12/12/51/551121251.db2.gz ZUEZMUPHESWKDT-HOCLYGCPSA-N 1 2 372.404 2.249 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000281832060 551145335 /nfs/dbraw/zinc/14/53/35/551145335.db2.gz PZTHXWPFRWMQSO-AYBZRNKSSA-N 1 2 374.485 2.087 20 30 FEEDLO Cc1nn(-c2ccccn2)c(C)c1C[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000282762335 551267667 /nfs/dbraw/zinc/26/76/67/551267667.db2.gz ILWQNDSWTXAMQL-UHFFFAOYSA-N 1 2 373.464 2.473 20 30 FEEDLO Cn1cc(-c2ccc(CN(CCC#N)CC[NH+]3CCOCC3)s2)cn1 ZINC000282770474 551268386 /nfs/dbraw/zinc/26/83/86/551268386.db2.gz JLEBKJIMFMNETN-UHFFFAOYSA-N 1 2 359.499 2.196 20 30 FEEDLO Cn1cc(-c2ccc(C[N@H+](CCC#N)CCN3CCOCC3)s2)cn1 ZINC000282770474 551268388 /nfs/dbraw/zinc/26/83/88/551268388.db2.gz JLEBKJIMFMNETN-UHFFFAOYSA-N 1 2 359.499 2.196 20 30 FEEDLO Cn1cc(-c2ccc(C[N@@H+](CCC#N)CCN3CCOCC3)s2)cn1 ZINC000282770474 551268389 /nfs/dbraw/zinc/26/83/89/551268389.db2.gz JLEBKJIMFMNETN-UHFFFAOYSA-N 1 2 359.499 2.196 20 30 FEEDLO CCc1csc(CC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000282879579 551281005 /nfs/dbraw/zinc/28/10/05/551281005.db2.gz SAMISVLPKVXDJP-UHFFFAOYSA-N 1 2 354.479 2.464 20 30 FEEDLO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000283814737 551432011 /nfs/dbraw/zinc/43/20/11/551432011.db2.gz JJLXPFZSWIPWPJ-GFCCVEGCSA-N 1 2 366.874 2.318 20 30 FEEDLO NC(=[NH+]OCc1nnc(-c2ccc(Br)o2)o1)[C@H]1CCCO1 ZINC000284414114 551544002 /nfs/dbraw/zinc/54/40/02/551544002.db2.gz NUIJTXSXBFLXJB-SSDOTTSWSA-N 1 2 357.164 2.060 20 30 FEEDLO CCOc1cccc(/C=[NH+]/C[C@H]2CCCC[C@H]2NS(C)(=O)=O)c1O ZINC000285290461 551732726 /nfs/dbraw/zinc/73/27/26/551732726.db2.gz IVAMHZZZTDJWSN-GPNVZSQUSA-N 1 2 354.472 2.318 20 30 FEEDLO CCOc1cccc(/C=[NH+]/C[C@H]2CCCC[C@@H]2NS(C)(=O)=O)c1O ZINC000285290451 551732828 /nfs/dbraw/zinc/73/28/28/551732828.db2.gz IVAMHZZZTDJWSN-ARLDUQMTSA-N 1 2 354.472 2.318 20 30 FEEDLO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN(c3cnccc3C#N)C2)CC1 ZINC000286332021 551875280 /nfs/dbraw/zinc/87/52/80/551875280.db2.gz JEKGYMXNYGVYSA-INIZCTEOSA-N 1 2 357.458 2.085 20 30 FEEDLO COC(=O)[C@]1(C(F)(F)F)CC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000286350924 551877474 /nfs/dbraw/zinc/87/74/74/551877474.db2.gz FNMJUCBCQTVIQZ-ZBEGNZNMSA-N 1 2 369.343 2.313 20 30 FEEDLO COC(=O)[C@]1(C(F)(F)F)CC[N@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000286350924 551877475 /nfs/dbraw/zinc/87/74/75/551877475.db2.gz FNMJUCBCQTVIQZ-ZBEGNZNMSA-N 1 2 369.343 2.313 20 30 FEEDLO Cc1[nH+]c2ccccc2n1C[C@@H]1CCCN1C(=O)C(=O)NCCCCC#N ZINC000286845079 551932730 /nfs/dbraw/zinc/93/27/30/551932730.db2.gz ZWADYWSGYNGYMA-INIZCTEOSA-N 1 2 367.453 2.146 20 30 FEEDLO C#CCN(Cc1ccccc1)C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000286974173 551946767 /nfs/dbraw/zinc/94/67/67/551946767.db2.gz FIXMBGZPOIZAEU-UHFFFAOYSA-N 1 2 364.449 2.263 20 30 FEEDLO Cc1cc2[nH]c(C(=O)N(CCC#N)CC[NH+]3CCOCC3)cc2c(C)c1 ZINC000499335567 561549084 /nfs/dbraw/zinc/54/90/84/561549084.db2.gz GGMCVFWTXASWHY-UHFFFAOYSA-N 1 2 354.454 2.473 20 30 FEEDLO C#CCC[NH+]1CCN(c2ccc(S(C)(=O)=O)cc2C(F)(F)F)CC1 ZINC000287726151 552038900 /nfs/dbraw/zinc/03/89/00/552038900.db2.gz GBYKDCGHGOAKTR-UHFFFAOYSA-N 1 2 360.401 2.254 20 30 FEEDLO CCOc1ccc(C[NH+]2CCN(C(=O)Cc3noc(C)c3C#N)CC2)cc1 ZINC000499581093 561553917 /nfs/dbraw/zinc/55/39/17/561553917.db2.gz LHOSTVMLGKNOKU-UHFFFAOYSA-N 1 2 368.437 2.140 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)C1=O ZINC000499960112 561562980 /nfs/dbraw/zinc/56/29/80/561562980.db2.gz BZQFYRIUIUUOOH-HOTGVXAUSA-N 1 2 365.836 2.303 20 30 FEEDLO C=CCN1CC[C@H]([N@H+](C)[C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)C1=O ZINC000499960112 561562981 /nfs/dbraw/zinc/56/29/81/561562981.db2.gz BZQFYRIUIUUOOH-HOTGVXAUSA-N 1 2 365.836 2.303 20 30 FEEDLO Cn1c2ccc(CNS(=O)(=O)c3ccc(C#N)o3)cc2[nH+]c1C1CC1 ZINC000289182664 552278643 /nfs/dbraw/zinc/27/86/43/552278643.db2.gz NLHUMMPQZLCPHN-UHFFFAOYSA-N 1 2 356.407 2.394 20 30 FEEDLO N#Cc1nc(-c2ccco2)oc1N1CC[NH+](Cc2cccnc2N)CC1 ZINC000289507772 552332492 /nfs/dbraw/zinc/33/24/92/552332492.db2.gz FBMONJANRXJOBC-UHFFFAOYSA-N 1 2 350.382 2.106 20 30 FEEDLO N#Cc1c(NC(=O)c2ccccc2C[NH+]2CCOCC2)n[nH]c1C1CC1 ZINC000289512186 552333401 /nfs/dbraw/zinc/33/34/01/552333401.db2.gz ACWMRXVEBYOGMU-UHFFFAOYSA-N 1 2 351.410 2.243 20 30 FEEDLO Cc1nc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)c(Cl)cc1C#N ZINC000290871357 552553266 /nfs/dbraw/zinc/55/32/66/552553266.db2.gz AYGYHJMWJCFARB-UHFFFAOYSA-N 1 2 361.877 2.050 20 30 FEEDLO Cc1nc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)c(Cl)cc1C#N ZINC000290871357 552553270 /nfs/dbraw/zinc/55/32/70/552553270.db2.gz AYGYHJMWJCFARB-UHFFFAOYSA-N 1 2 361.877 2.050 20 30 FEEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cn3ccc(Br)cc3n2)C1=O ZINC000291653148 552647498 /nfs/dbraw/zinc/64/74/98/552647498.db2.gz USJSOEMGCDOYMS-AWEZNQCLSA-N 1 2 363.259 2.316 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cn3ccc(Br)cc3n2)C1=O ZINC000291653148 552647499 /nfs/dbraw/zinc/64/74/99/552647499.db2.gz USJSOEMGCDOYMS-AWEZNQCLSA-N 1 2 363.259 2.316 20 30 FEEDLO C=C(C)Cn1c(C)nnc1N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000292860678 552765872 /nfs/dbraw/zinc/76/58/72/552765872.db2.gz GVBCVZHFHHNBAL-MOPGFXCFSA-N 1 2 353.470 2.252 20 30 FEEDLO C=C(C)Cn1c(C)nnc1N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000292860678 552765874 /nfs/dbraw/zinc/76/58/74/552765874.db2.gz GVBCVZHFHHNBAL-MOPGFXCFSA-N 1 2 353.470 2.252 20 30 FEEDLO C=CCC(C)(C)CNC(=O)NCc1ccc[nH+]c1N1CCC(C(N)=O)CC1 ZINC000293154848 552794168 /nfs/dbraw/zinc/79/41/68/552794168.db2.gz RWKUMDCYRDSDBF-UHFFFAOYSA-N 1 2 373.501 2.185 20 30 FEEDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)c1ccc(Br)cc1C#N ZINC000296078790 553101536 /nfs/dbraw/zinc/10/15/36/553101536.db2.gz GVWVWJABQUAJAX-LBPRGKRZSA-N 1 2 366.259 2.113 20 30 FEEDLO COc1ccc(Br)c([C@H](CO)[N@H+](C)CCOCCC#N)c1 ZINC000296444830 553161178 /nfs/dbraw/zinc/16/11/78/553161178.db2.gz WTJMGPOMGQLIJB-HNNXBMFYSA-N 1 2 357.248 2.353 20 30 FEEDLO COc1ccc(Br)c([C@H](CO)[N@@H+](C)CCOCCC#N)c1 ZINC000296444830 553161180 /nfs/dbraw/zinc/16/11/80/553161180.db2.gz WTJMGPOMGQLIJB-HNNXBMFYSA-N 1 2 357.248 2.353 20 30 FEEDLO C[C@H](CCC#N)[NH+]1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000297854690 553347929 /nfs/dbraw/zinc/34/79/29/553347929.db2.gz LOADPMKGIWTANJ-GFCCVEGCSA-N 1 2 359.854 2.478 20 30 FEEDLO C=C(C)CN(CC)C(=O)C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000297964106 553363436 /nfs/dbraw/zinc/36/34/36/553363436.db2.gz VMUSVYLPEFBUDA-UHFFFAOYSA-N 1 2 358.486 2.350 20 30 FEEDLO COc1ccccc1N1CC[NH+](CC(=O)NCc2ccc(C#N)cc2)CC1 ZINC000298484154 553430980 /nfs/dbraw/zinc/43/09/80/553430980.db2.gz WDUNWHONUODMBV-UHFFFAOYSA-N 1 2 364.449 2.005 20 30 FEEDLO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[NH2+][C@@]3(C)CCOC3=O)sc2C1 ZINC000298488837 553431308 /nfs/dbraw/zinc/43/13/08/553431308.db2.gz JLVNMTYXOYHKDR-ZMZPIMSZSA-N 1 2 361.467 2.368 20 30 FEEDLO C[C@H](O)CNc1cc(N2CCC(Oc3ccc(C#N)cc3F)CC2)nc[nH+]1 ZINC000299118972 553517761 /nfs/dbraw/zinc/51/77/61/553517761.db2.gz XHKYPCWXTQFUHG-ZDUSSCGKSA-N 1 2 371.416 2.328 20 30 FEEDLO C[C@H](O)CNc1cc(N2CCC(Oc3ccc(C#N)cc3F)CC2)[nH+]cn1 ZINC000299118972 553517763 /nfs/dbraw/zinc/51/77/63/553517763.db2.gz XHKYPCWXTQFUHG-ZDUSSCGKSA-N 1 2 371.416 2.328 20 30 FEEDLO CCc1nnc(NC[C@]2([NH+]3CCOCC3)CCSC2)c(C#N)c1CC ZINC000301608675 553665527 /nfs/dbraw/zinc/66/55/27/553665527.db2.gz ACCVLDDOPPFURL-GOSISDBHSA-N 1 2 361.515 2.093 20 30 FEEDLO Cc1cc(NC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)ncc1C#N ZINC000603122030 553712879 /nfs/dbraw/zinc/71/28/79/553712879.db2.gz ZFFYQWZTIZFFBG-SFHVURJKSA-N 1 2 365.437 2.284 20 30 FEEDLO Cc1cc(NC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)ncc1C#N ZINC000603122030 553712882 /nfs/dbraw/zinc/71/28/82/553712882.db2.gz ZFFYQWZTIZFFBG-SFHVURJKSA-N 1 2 365.437 2.284 20 30 FEEDLO C=CCCc1ccccc1NC(=O)C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000505599991 561675039 /nfs/dbraw/zinc/67/50/39/561675039.db2.gz RCPMGSTZZIDYQL-INIZCTEOSA-N 1 2 352.438 2.493 20 30 FEEDLO Cc1n[nH]cc1CNC(=O)N1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000328640123 553800934 /nfs/dbraw/zinc/80/09/34/553800934.db2.gz XDYNPQOCGKXHBS-INIZCTEOSA-N 1 2 370.457 2.281 20 30 FEEDLO O=C(C[NH+]1CCC(S(=O)(=O)N2CCCC2)CC1)Nc1ccccc1F ZINC000328650361 553802299 /nfs/dbraw/zinc/80/22/99/553802299.db2.gz JEDSUZPEYMOCTI-UHFFFAOYSA-N 1 2 369.462 2.304 20 30 FEEDLO C[N@@H+]1CC[C@H](NC(=O)N2CC[C@](F)(CO)C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000328707248 553810325 /nfs/dbraw/zinc/81/03/25/553810325.db2.gz PXOFPDWTTGMOAD-YQQAZPJKSA-N 1 2 357.376 2.030 20 30 FEEDLO C[N@H+]1CC[C@H](NC(=O)N2CC[C@](F)(CO)C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000328707248 553810328 /nfs/dbraw/zinc/81/03/28/553810328.db2.gz PXOFPDWTTGMOAD-YQQAZPJKSA-N 1 2 357.376 2.030 20 30 FEEDLO Cc1nc(C#N)c(N2CCC(C(=O)N3CCC[C@@H](c4[nH]cc[nH+]4)C3)CC2)o1 ZINC000328715943 553811204 /nfs/dbraw/zinc/81/12/04/553811204.db2.gz DPGVCPAZEPZFIP-OAHLLOKOSA-N 1 2 368.441 2.200 20 30 FEEDLO CC[C@H](C(=O)Nc1ccc(N2CCOCC2)cn1)[N@@H+]1CCO[C@H](CC)C1 ZINC000328755943 553816861 /nfs/dbraw/zinc/81/68/61/553816861.db2.gz FOWJJWAMGIWYMM-IAGOWNOFSA-N 1 2 362.474 2.396 20 30 FEEDLO CC[C@H](C(=O)Nc1ccc(N2CCOCC2)cn1)[N@H+]1CCO[C@H](CC)C1 ZINC000328755943 553816864 /nfs/dbraw/zinc/81/68/64/553816864.db2.gz FOWJJWAMGIWYMM-IAGOWNOFSA-N 1 2 362.474 2.396 20 30 FEEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@H](c1ccc(F)cc1)[C@H]1CCCO1 ZINC000328807477 553825298 /nfs/dbraw/zinc/82/52/98/553825298.db2.gz LMWWGUIUOOFBJR-ZTFGCOKTSA-N 1 2 365.449 2.270 20 30 FEEDLO CC(C)[C@@H](CNC(=O)c1coc(C2CCOCC2)n1)[NH+]1CCOCC1 ZINC000328826136 553828477 /nfs/dbraw/zinc/82/84/77/553828477.db2.gz SOMKRIVSCXCFHR-MRXNPFEDSA-N 1 2 351.447 2.230 20 30 FEEDLO CC(=O)N1CC[C@@H](CN(C)C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)C1 ZINC000328846998 553831782 /nfs/dbraw/zinc/83/17/82/553831782.db2.gz QQNXQOPFKPNSAA-ZDUSSCGKSA-N 1 2 363.849 2.202 20 30 FEEDLO Cc1cn2cc(NC(=O)[C@H]3CC(=O)N(C)[C@H]3c3ccnn3C)ccc2[nH+]1 ZINC000328852243 553832680 /nfs/dbraw/zinc/83/26/80/553832680.db2.gz ISJSGAYTXMQSBE-SUMWQHHRSA-N 1 2 352.398 2.184 20 30 FEEDLO C[C@@H]1CN(c2ccc(C(=O)N[C@@H]3CCc4[nH+]c[nH]c4C3)cn2)C[C@@H](C)O1 ZINC000328984991 553859095 /nfs/dbraw/zinc/85/90/95/553859095.db2.gz ZKVAMNYNPITQJI-UMVBOHGHSA-N 1 2 355.442 2.280 20 30 FEEDLO C[C@@H]1CN(c2ccc(C(=O)N[C@@H]3CCc4[nH]c[nH+]c4C3)cn2)C[C@@H](C)O1 ZINC000328984991 553859096 /nfs/dbraw/zinc/85/90/96/553859096.db2.gz ZKVAMNYNPITQJI-UMVBOHGHSA-N 1 2 355.442 2.280 20 30 FEEDLO O=C(N[C@@H]1CCO[C@@]2(CCOC2)C1)c1ccccc1C[NH+]1CCOCC1 ZINC000329116399 553882962 /nfs/dbraw/zinc/88/29/62/553882962.db2.gz NHYHCKLBMSCYEZ-XLIONFOSSA-N 1 2 360.454 2.162 20 30 FEEDLO CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000506190246 561692716 /nfs/dbraw/zinc/69/27/16/561692716.db2.gz NESWGRMYPFMMBS-HNNXBMFYSA-N 1 2 374.363 2.323 20 30 FEEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)N[C@@H]1CCO[C@H](C(C)(C)C)C1 ZINC000329260334 553913075 /nfs/dbraw/zinc/91/30/75/553913075.db2.gz FPBYUVBYCLHKRV-NCOADZHNSA-N 1 2 353.507 2.289 20 30 FEEDLO CN(C)C(=O)[C@H]1CC[C@@H](C(=O)N[C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)O1 ZINC000329302543 553921206 /nfs/dbraw/zinc/92/12/06/553921206.db2.gz WMNODQCDRDTNHH-HZSPNIEDSA-N 1 2 362.474 2.088 20 30 FEEDLO CC(C)[C@@H]1CCN1C(=O)N[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C ZINC000329318116 553924799 /nfs/dbraw/zinc/92/47/99/553924799.db2.gz IBYCAMAKRQPTJA-RVKKMQEKSA-N 1 2 359.474 2.259 20 30 FEEDLO Cc1cn2c([nH+]1)[C@H](CNC([O-])=[NH+][C@@H]1CCc3nnc(C(C)C)n3C1)CCC2 ZINC000329364005 553932324 /nfs/dbraw/zinc/93/23/24/553932324.db2.gz ZVZGGNSVCWSFOY-LSDHHAIUSA-N 1 2 371.489 2.302 20 30 FEEDLO Cc1cn2c([nH+]1)[C@H](C[NH+]=C([O-])N[C@@H]1CCc3nnc(C(C)C)n3C1)CCC2 ZINC000329364005 553932326 /nfs/dbraw/zinc/93/23/26/553932326.db2.gz ZVZGGNSVCWSFOY-LSDHHAIUSA-N 1 2 371.489 2.302 20 30 FEEDLO Cc1nc([C@@H]2CN(C(=O)Nc3cccc(-c4[nH+]ccn4C)c3)CCO2)no1 ZINC000329399567 553939011 /nfs/dbraw/zinc/93/90/11/553939011.db2.gz XLHHZGPGTIYAPA-HNNXBMFYSA-N 1 2 368.397 2.398 20 30 FEEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)N[C@H]1CCCC12CCOCC2 ZINC000329432771 553945908 /nfs/dbraw/zinc/94/59/08/553945908.db2.gz IEUYFAFWRYZWKU-IKGGRYGDSA-N 1 2 351.491 2.045 20 30 FEEDLO C[C@H](Oc1cccnc1)C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000329567587 553968640 /nfs/dbraw/zinc/96/86/40/553968640.db2.gz PFVBAKJUASCFQF-YOEHRIQHSA-N 1 2 351.472 2.013 20 30 FEEDLO C[C@H](c1cccc(NC(=O)N2C[C@@H]3CC[C@@H](O)[C@@H]3C2)c1)[NH+]1CCOCC1 ZINC000329579654 553971506 /nfs/dbraw/zinc/97/15/06/553971506.db2.gz UJRYIMDQWQYULL-IWKCEXAMSA-N 1 2 359.470 2.328 20 30 FEEDLO C[C@@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)C1 ZINC000329585870 553972150 /nfs/dbraw/zinc/97/21/50/553972150.db2.gz YFLFETJRFVNFMH-CVEARBPZSA-N 1 2 361.490 2.022 20 30 FEEDLO C[C@H](CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1c1ncccn1)[NH+]1CCOCC1 ZINC000329589752 553972383 /nfs/dbraw/zinc/97/23/83/553972383.db2.gz NIBMPEHCMQIRTA-XDNAFOTISA-N 1 2 373.501 2.291 20 30 FEEDLO Cn1nnc2cc(C(=O)N[C@@H]3CCc4[nH+]c(C(C)(C)C)cn4C3)cnc21 ZINC000329596753 553973552 /nfs/dbraw/zinc/97/35/52/553973552.db2.gz PGRKRGORAICGEI-GFCCVEGCSA-N 1 2 353.430 2.177 20 30 FEEDLO [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CCC[C@H](c2noc(C3CC3)n2)C1 ZINC000329630623 553979605 /nfs/dbraw/zinc/97/96/05/553979605.db2.gz QXIRCDOLIDOPLD-QWHCGFSZSA-N 1 2 356.430 2.321 20 30 FEEDLO [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1CCC[C@H](c2noc(C3CC3)n2)C1 ZINC000329630623 553979607 /nfs/dbraw/zinc/97/96/07/553979607.db2.gz QXIRCDOLIDOPLD-QWHCGFSZSA-N 1 2 356.430 2.321 20 30 FEEDLO C[C@H](NC(=O)N1CCO[C@H](C2CCCCC2)C1)[C@H](C)[NH+]1CCOCC1 ZINC000329641435 553981339 /nfs/dbraw/zinc/98/13/39/553981339.db2.gz ZUDPJWZETHGVPN-BQFCYCMXSA-N 1 2 353.507 2.291 20 30 FEEDLO C[C@@H]1[C@H](C)[S@@](=O)CCN1C([O-])=[NH+][C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000329653697 553982741 /nfs/dbraw/zinc/98/27/41/553982741.db2.gz DXCHLMGYAVXPDE-JTODRPMFSA-N 1 2 366.531 2.251 20 30 FEEDLO O=C(C[NH+]1CCC(c2n[nH]c(=O)[nH]2)CC1)N[C@@H]1CCOc2ccccc21 ZINC000329661918 553984467 /nfs/dbraw/zinc/98/44/67/553984467.db2.gz PEYQVPUQKKAPRT-CQSZACIVSA-N 1 2 357.414 2.170 20 30 FEEDLO O=C(NC1CCN(C(=O)C2CC2)CC1)c1ccccc1C[NH+]1CCOCC1 ZINC000329789682 554006497 /nfs/dbraw/zinc/00/64/97/554006497.db2.gz SORMXFLPENTPKP-UHFFFAOYSA-N 1 2 371.481 2.224 20 30 FEEDLO CS(=O)(=O)c1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)s1 ZINC000329931351 554034101 /nfs/dbraw/zinc/03/41/01/554034101.db2.gz APXUPXFZRUXMRK-AWEZNQCLSA-N 1 2 372.512 2.252 20 30 FEEDLO CS(=O)(=O)c1ccc(CNC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)s1 ZINC000329931351 554034104 /nfs/dbraw/zinc/03/41/04/554034104.db2.gz APXUPXFZRUXMRK-AWEZNQCLSA-N 1 2 372.512 2.252 20 30 FEEDLO C[C@@H]1C[C@H](C(=O)NC[C@@H]2C[C@H](F)C[N@@H+]2Cc2cnn(C)c2)CC(=O)N1 ZINC000329934851 554034788 /nfs/dbraw/zinc/03/47/88/554034788.db2.gz KBCVNQPPICGEAD-UNQGMJICSA-N 1 2 351.426 2.044 20 30 FEEDLO C[C@@H]1C[C@H](C(=O)NC[C@@H]2C[C@H](F)C[N@H+]2Cc2cnn(C)c2)CC(=O)N1 ZINC000329934851 554034789 /nfs/dbraw/zinc/03/47/89/554034789.db2.gz KBCVNQPPICGEAD-UNQGMJICSA-N 1 2 351.426 2.044 20 30 FEEDLO C[C@@H]1C[C@H](NC([O-])=[NH+]C[C@H]2CCc3[nH+]ccn3C2)C(=O)N1c1ccccc1 ZINC000329970317 554041758 /nfs/dbraw/zinc/04/17/58/554041758.db2.gz XBGLYDBACVMROX-INMHGKMJSA-N 1 2 367.453 2.143 20 30 FEEDLO CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1)C(=O)NC[C@@H]1CCCS1 ZINC000329979307 554042851 /nfs/dbraw/zinc/04/28/51/554042851.db2.gz JIIOMBOJQFOBPB-JYJNAYRXSA-N 1 2 369.510 2.074 20 30 FEEDLO CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1)C(=O)NC[C@@H]1CCCS1 ZINC000329979307 554042854 /nfs/dbraw/zinc/04/28/54/554042854.db2.gz JIIOMBOJQFOBPB-JYJNAYRXSA-N 1 2 369.510 2.074 20 30 FEEDLO CC[C@H](NC(=O)N1CCN(C)[C@H](c2[nH+]ccn2C)C1)c1c(C)noc1C ZINC000330000028 554046684 /nfs/dbraw/zinc/04/66/84/554046684.db2.gz VUICBEDUEMUNDT-GJZGRUSLSA-N 1 2 360.462 2.379 20 30 FEEDLO O=C(N[C@@H]1CC[S@@](=O)C1)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000330038414 554052982 /nfs/dbraw/zinc/05/29/82/554052982.db2.gz ZZSMKJIGQGXHNZ-GYCJOSAFSA-N 1 2 369.918 2.283 20 30 FEEDLO O=C(N[C@@H]1CC[S@@](=O)C1)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000330038414 554052984 /nfs/dbraw/zinc/05/29/84/554052984.db2.gz ZZSMKJIGQGXHNZ-GYCJOSAFSA-N 1 2 369.918 2.283 20 30 FEEDLO Cn1cc([C@@H]2CSCCN2C(=O)NC[C@@H]2CCCn3cc[nH+]c32)cn1 ZINC000330058798 554056671 /nfs/dbraw/zinc/05/66/71/554056671.db2.gz ZOPNBPWCZQVZSR-ZFWWWQNUSA-N 1 2 360.487 2.198 20 30 FEEDLO C[C@H]1CN(CC(=O)Nc2nc(C[NH+]3CCCC3)cs2)C[C@H](C)S1=O ZINC000330123333 554068889 /nfs/dbraw/zinc/06/88/89/554068889.db2.gz KTUAAKUAOJDNJX-STQMWFEESA-N 1 2 370.544 2.168 20 30 FEEDLO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCN3C(=O)NC(=O)[C@H]3C1)CCC2 ZINC000330131547 554070507 /nfs/dbraw/zinc/07/05/07/554070507.db2.gz PTWMKTRVPIJJDA-GFCCVEGCSA-N 1 2 373.438 2.163 20 30 FEEDLO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCN3C(=O)NC(=O)[C@H]3C1)CCC2 ZINC000330131547 554070508 /nfs/dbraw/zinc/07/05/08/554070508.db2.gz PTWMKTRVPIJJDA-GFCCVEGCSA-N 1 2 373.438 2.163 20 30 FEEDLO C[C@]12CCN(C(=O)NCc3ccc[nH+]c3N3CCOCC3)C[C@H]1C2(F)F ZINC000330180162 554079751 /nfs/dbraw/zinc/07/97/51/554079751.db2.gz NEHVFBPGEYBMFX-PBHICJAKSA-N 1 2 366.412 2.309 20 30 FEEDLO Cc1ccc(N2CCC[C@H]([NH+]=C([O-])N3CCC[C@H]3Cn3cc[nH+]c3)C2)nn1 ZINC000330260330 554094612 /nfs/dbraw/zinc/09/46/12/554094612.db2.gz SNWAKLLMBZUVNJ-IRXDYDNUSA-N 1 2 369.473 2.029 20 30 FEEDLO Cc1ccc(N2CCC[C@H](NC(=O)N3CCC[C@H]3Cn3cc[nH+]c3)C2)nn1 ZINC000330260330 554094613 /nfs/dbraw/zinc/09/46/13/554094613.db2.gz SNWAKLLMBZUVNJ-IRXDYDNUSA-N 1 2 369.473 2.029 20 30 FEEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)NC[C@H]1CCCCS1(=O)=O ZINC000330268643 554096707 /nfs/dbraw/zinc/09/67/07/554096707.db2.gz IUBIEOJGHPMKAP-CABCVRRESA-N 1 2 368.503 2.311 20 30 FEEDLO Cc1cn2cc(NC(=O)[C@@H]3CC(=O)N(C)[C@H]3c3cnn(C)c3C)ccc2[nH+]1 ZINC000330287763 554100372 /nfs/dbraw/zinc/10/03/72/554100372.db2.gz COPOJIZVYGXWDM-RDTXWAMCSA-N 1 2 366.425 2.492 20 30 FEEDLO Cc1nn(C)c(C)c1NC(=O)C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000507834326 561742779 /nfs/dbraw/zinc/74/27/79/561742779.db2.gz UACGTDTUWSIBEC-UHFFFAOYSA-N 1 2 367.453 2.391 20 30 FEEDLO CC(C)Cn1ccnc1CNC(=O)N[C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000330338930 554107868 /nfs/dbraw/zinc/10/78/68/554107868.db2.gz WBCATXXTGQQBJC-GDBMZVCRSA-N 1 2 360.462 2.197 20 30 FEEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000330351134 554110054 /nfs/dbraw/zinc/11/00/54/554110054.db2.gz LWMYPRJKFQFRBW-DFBGVHRSSA-N 1 2 360.483 2.100 20 30 FEEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000330351134 554110056 /nfs/dbraw/zinc/11/00/56/554110056.db2.gz LWMYPRJKFQFRBW-DFBGVHRSSA-N 1 2 360.483 2.100 20 30 FEEDLO CNC(=O)c1cccc(NC(=O)N2CCN(C)[C@H](c3[nH+]ccn3C)C2)c1C ZINC000330350869 554110203 /nfs/dbraw/zinc/11/02/03/554110203.db2.gz LOUFVWKPZPMLEM-INIZCTEOSA-N 1 2 370.457 2.197 20 30 FEEDLO C[N@@H+]1CCO[C@H](CNC(=O)c2cc(NC(=O)C(C)(C)C)ccc2F)C1 ZINC000330905367 554186251 /nfs/dbraw/zinc/18/62/51/554186251.db2.gz DDYFPEBDJIBOJB-CYBMUJFWSA-N 1 2 351.422 2.446 20 30 FEEDLO C[N@H+]1CCO[C@H](CNC(=O)c2cc(NC(=O)C(C)(C)C)ccc2F)C1 ZINC000330905367 554186254 /nfs/dbraw/zinc/18/62/54/554186254.db2.gz DDYFPEBDJIBOJB-CYBMUJFWSA-N 1 2 351.422 2.446 20 30 FEEDLO CC(=O)N1CC[NH+](CCNC(=O)c2ccc(Cl)c(N)c2Cl)CC1 ZINC000330960336 554194506 /nfs/dbraw/zinc/19/45/06/554194506.db2.gz OPFMUWCZIHRGNG-UHFFFAOYSA-N 1 2 359.257 2.044 20 30 FEEDLO Cc1cc(NC(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)c(C#N)cc1N(C)C ZINC000331240849 554235432 /nfs/dbraw/zinc/23/54/32/554235432.db2.gz MSJYNDQAWBRJJO-CABCVRRESA-N 1 2 359.474 2.368 20 30 FEEDLO CCc1cnc(N2CC[NH+]([C@@H](C)C(=O)NC(=O)NC(C)(C)C)CC2)s1 ZINC000331298163 554243680 /nfs/dbraw/zinc/24/36/80/554243680.db2.gz TUHXRRDZAMIRNX-LBPRGKRZSA-N 1 2 367.519 2.045 20 30 FEEDLO CCN(CC)C(=O)C1CC[NH+]([C@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000331638366 554299894 /nfs/dbraw/zinc/29/98/94/554299894.db2.gz WWQRISPEDJPXLA-INIZCTEOSA-N 1 2 374.510 2.305 20 30 FEEDLO C[C@@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN(Cc3cccc(C#N)c3F)CC2)C1 ZINC000332542398 554467928 /nfs/dbraw/zinc/46/79/28/554467928.db2.gz DNAIRBIPMVPCFI-CALCHBBNSA-N 1 2 372.488 2.319 20 30 FEEDLO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000332543501 554468488 /nfs/dbraw/zinc/46/84/88/554468488.db2.gz LWBCADVLKFUHFI-WFASDCNBSA-N 1 2 353.875 2.459 20 30 FEEDLO C[C@H]1C[N@H+]2CCCC[C@H]2CN1S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000332543501 554468490 /nfs/dbraw/zinc/46/84/90/554468490.db2.gz LWBCADVLKFUHFI-WFASDCNBSA-N 1 2 353.875 2.459 20 30 FEEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000510248441 561829611 /nfs/dbraw/zinc/82/96/11/561829611.db2.gz DZKCBEHINHQBKZ-ZDUSSCGKSA-N 1 2 372.860 2.080 20 30 FEEDLO Cn1cc(C#N)c(=NC(=O)N[C@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)[nH]1 ZINC000610564556 554530341 /nfs/dbraw/zinc/53/03/41/554530341.db2.gz SEZGWAVUQMZAAZ-ZDUSSCGKSA-N 1 2 374.395 2.356 20 30 FEEDLO Cn1cc(C#N)c(=NC(=O)N[C@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)[nH]1 ZINC000610564556 554530343 /nfs/dbraw/zinc/53/03/43/554530343.db2.gz SEZGWAVUQMZAAZ-ZDUSSCGKSA-N 1 2 374.395 2.356 20 30 FEEDLO COc1ccc(CCNC(=O)[C@H](C)[NH+]2CCC(F)(C#N)CC2)cc1OC ZINC000510939568 561851453 /nfs/dbraw/zinc/85/14/53/561851453.db2.gz YOBJNCRQPBSTNY-AWEZNQCLSA-N 1 2 363.433 2.079 20 30 FEEDLO C=CCNC(=O)c1ccc(NC(=O)N2CC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000363158735 555042501 /nfs/dbraw/zinc/04/25/01/555042501.db2.gz DJOITNWBSNYXHO-HNNXBMFYSA-N 1 2 353.426 2.357 20 30 FEEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1[C@H](C(N)=O)C[C@H]2CCCC[C@@H]21 ZINC000363175993 555045801 /nfs/dbraw/zinc/04/58/01/555045801.db2.gz DGTKWLWGRKMLOL-RLCCDNCMSA-N 1 2 360.845 2.269 20 30 FEEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1[C@H](C(N)=O)C[C@H]2CCCC[C@@H]21 ZINC000363175993 555045802 /nfs/dbraw/zinc/04/58/02/555045802.db2.gz DGTKWLWGRKMLOL-RLCCDNCMSA-N 1 2 360.845 2.269 20 30 FEEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCCN(C(=O)c2ccco2)CC1 ZINC000363380346 555089863 /nfs/dbraw/zinc/08/98/63/555089863.db2.gz JMISJHMVRPRKCU-MRXNPFEDSA-N 1 2 372.469 2.159 20 30 FEEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCCN(C(=O)c2ccco2)CC1 ZINC000363380346 555089864 /nfs/dbraw/zinc/08/98/64/555089864.db2.gz JMISJHMVRPRKCU-MRXNPFEDSA-N 1 2 372.469 2.159 20 30 FEEDLO Cc1cccc(C[NH+]2CCN(C(=O)C(=O)Nc3sccc3C#N)CC2)c1 ZINC000511944141 561886392 /nfs/dbraw/zinc/88/63/92/561886392.db2.gz QDSISSAVZKAFKG-UHFFFAOYSA-N 1 2 368.462 2.211 20 30 FEEDLO C=C(C)C[N@H+](CC(=O)NC[C@@H]1Cc2ccccc2O1)Cc1ccc(CO)o1 ZINC000512227991 561896609 /nfs/dbraw/zinc/89/66/09/561896609.db2.gz MOCDNRUXWFCOPP-IBGZPJMESA-N 1 2 370.449 2.270 20 30 FEEDLO C=C(C)C[N@@H+](CC(=O)NC[C@@H]1Cc2ccccc2O1)Cc1ccc(CO)o1 ZINC000512227991 561896610 /nfs/dbraw/zinc/89/66/10/561896610.db2.gz MOCDNRUXWFCOPP-IBGZPJMESA-N 1 2 370.449 2.270 20 30 FEEDLO Cc1ccc([C@@H](CNC(=O)c2cnccc2C#N)[NH+]2CCOCC2)cc1 ZINC000512270981 561898095 /nfs/dbraw/zinc/89/80/95/561898095.db2.gz OUOIKYDLUCRQDJ-LJQANCHMSA-N 1 2 350.422 2.065 20 30 FEEDLO COc1cc(C[NH+]2CCN(C(=O)NCC(C)(C)C#N)CC2)cc(OC)c1 ZINC000512922224 561919778 /nfs/dbraw/zinc/91/97/78/561919778.db2.gz HMAFINUQRWIHKY-UHFFFAOYSA-N 1 2 360.458 2.081 20 30 FEEDLO N#C[C@H]1N(C(=O)c2ccc(-n3cc[nH+]c3)nc2)CCC[C@]12CCCCO2 ZINC000366181400 555773916 /nfs/dbraw/zinc/77/39/16/555773916.db2.gz IWIQCHCUCRUHRL-VQIMIIECSA-N 1 2 351.410 2.335 20 30 FEEDLO COc1cc(C[N@H+](C)CC(=O)NCc2cccc(C#N)c2)cc(OC)c1 ZINC000513761026 561949063 /nfs/dbraw/zinc/94/90/63/561949063.db2.gz LOMBBELTKHLKEW-UHFFFAOYSA-N 1 2 353.422 2.324 20 30 FEEDLO COc1cc(C[N@@H+](C)CC(=O)NCc2cccc(C#N)c2)cc(OC)c1 ZINC000513761026 561949064 /nfs/dbraw/zinc/94/90/64/561949064.db2.gz LOMBBELTKHLKEW-UHFFFAOYSA-N 1 2 353.422 2.324 20 30 FEEDLO Cc1c(C#N)cccc1C(=O)N1CC[C@@](C)([NH2+]CC(=O)OC(C)(C)C)C1 ZINC000514063639 561959228 /nfs/dbraw/zinc/95/92/28/561959228.db2.gz FAUFHDKHPAKSGO-HXUWFJFHSA-N 1 2 357.454 2.403 20 30 FEEDLO C#CC[C@H](NC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1)c1ccccc1 ZINC000366765319 555928429 /nfs/dbraw/zinc/92/84/29/555928429.db2.gz OXERGTZOMZZLOB-ICSRJNTNSA-N 1 2 373.522 2.258 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N2CCc3sccc3[C@H]2CC)C1=O ZINC000366873498 555957015 /nfs/dbraw/zinc/95/70/15/555957015.db2.gz ZVJTUUVPSYQURV-CVEARBPZSA-N 1 2 361.511 2.303 20 30 FEEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N2CCc3sccc3[C@H]2CC)C1=O ZINC000366873498 555957016 /nfs/dbraw/zinc/95/70/16/555957016.db2.gz ZVJTUUVPSYQURV-CVEARBPZSA-N 1 2 361.511 2.303 20 30 FEEDLO C=CC[C@@H]1N(C(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)CCCC1(C)C ZINC000514610456 561969942 /nfs/dbraw/zinc/96/99/42/561969942.db2.gz UUUYZINSWZQPKR-KRWDZBQOSA-N 1 2 372.513 2.471 20 30 FEEDLO CCO[C@@H](C)c1noc(C[N@@H+]2CCCN(c3cc(C#N)ccn3)CC2)n1 ZINC000367425069 556044975 /nfs/dbraw/zinc/04/49/75/556044975.db2.gz AKCCKFTWIXLOSH-AWEZNQCLSA-N 1 2 356.430 2.146 20 30 FEEDLO CCO[C@@H](C)c1noc(C[N@H+]2CCCN(c3cc(C#N)ccn3)CC2)n1 ZINC000367425069 556044980 /nfs/dbraw/zinc/04/49/80/556044980.db2.gz AKCCKFTWIXLOSH-AWEZNQCLSA-N 1 2 356.430 2.146 20 30 FEEDLO Cc1cc(C#N)cc(NC(=O)NC[C@@H]2C[C@H](F)C[N@H+]2Cc2cnn(C)c2)c1 ZINC000514915986 561986475 /nfs/dbraw/zinc/98/64/75/561986475.db2.gz PWBLDXBKKGTBMC-WMZOPIPTSA-N 1 2 370.432 2.334 20 30 FEEDLO Cc1cc(C#N)cc(NC(=O)NC[C@@H]2C[C@H](F)C[N@@H+]2Cc2cnn(C)c2)c1 ZINC000514915986 561986477 /nfs/dbraw/zinc/98/64/77/561986477.db2.gz PWBLDXBKKGTBMC-WMZOPIPTSA-N 1 2 370.432 2.334 20 30 FEEDLO C#CC[C@H](Cc1ccccc1)NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000367865661 556158856 /nfs/dbraw/zinc/15/88/56/556158856.db2.gz PQJXSPJWWKYTIY-MISYRCLQSA-N 1 2 355.482 2.126 20 30 FEEDLO Cc1[nH+]c2n(c1CN1CCN(C(=O)C#Cc3ccccc3)CC1)CCCC2 ZINC000367990049 556189499 /nfs/dbraw/zinc/18/94/99/556189499.db2.gz QPRXXVIRQNHPKG-UHFFFAOYSA-N 1 2 362.477 2.224 20 30 FEEDLO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000368365267 556288368 /nfs/dbraw/zinc/28/83/68/556288368.db2.gz ZTTHVPVHFKUIGE-GOSISDBHSA-N 1 2 374.441 2.156 20 30 FEEDLO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000368365267 556288372 /nfs/dbraw/zinc/28/83/72/556288372.db2.gz ZTTHVPVHFKUIGE-GOSISDBHSA-N 1 2 374.441 2.156 20 30 FEEDLO CN(C)S(=O)(=O)[C@H]1CCC[N@H+](Cc2ccc(F)c(C#N)c2Cl)C1 ZINC000368592024 556356407 /nfs/dbraw/zinc/35/64/07/556356407.db2.gz JSORTXLQXAXKET-LBPRGKRZSA-N 1 2 359.854 2.207 20 30 FEEDLO CN(C)S(=O)(=O)[C@H]1CCC[N@@H+](Cc2ccc(F)c(C#N)c2Cl)C1 ZINC000368592024 556356410 /nfs/dbraw/zinc/35/64/10/556356410.db2.gz JSORTXLQXAXKET-LBPRGKRZSA-N 1 2 359.854 2.207 20 30 FEEDLO N#CC1(C(=O)N2CCC3(CC2)NC(=O)C2(CCCCC2)[NH2+]3)CCCCC1 ZINC000368777827 556411291 /nfs/dbraw/zinc/41/12/91/556411291.db2.gz XXQJUGFQXUOLCS-UHFFFAOYSA-N 1 2 358.486 2.201 20 30 FEEDLO Cn1cc(C#N)cc1C(=O)NC1CC[NH+](Cc2nc3ccccc3[nH]2)CC1 ZINC000368881362 556437461 /nfs/dbraw/zinc/43/74/61/556437461.db2.gz YDTWEDDQPYSISG-UHFFFAOYSA-N 1 2 362.437 2.167 20 30 FEEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+]1CCCO[C@@H]2CCC[C@H]21 ZINC000369456483 556604464 /nfs/dbraw/zinc/60/44/64/556604464.db2.gz GBPGRIBCFAMWPP-QZTJIDSGSA-N 1 2 365.437 2.326 20 30 FEEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+]1CCCO[C@@H]2CCC[C@H]21 ZINC000369456483 556604466 /nfs/dbraw/zinc/60/44/66/556604466.db2.gz GBPGRIBCFAMWPP-QZTJIDSGSA-N 1 2 365.437 2.326 20 30 FEEDLO N#Cc1ccc(F)c(CNC(=O)NCc2ccc(-n3cc[nH+]c3)nc2)c1 ZINC000369748588 556684790 /nfs/dbraw/zinc/68/47/90/556684790.db2.gz MJNMLUVPYSVFKS-UHFFFAOYSA-N 1 2 350.357 2.277 20 30 FEEDLO Cc1nc(C[N@@H+](C)[C@H]2CCCN(C(=O)c3cccc(C#N)c3)CC2)no1 ZINC000369891804 556722784 /nfs/dbraw/zinc/72/27/84/556722784.db2.gz HIPRSHKTNBFJDW-KRWDZBQOSA-N 1 2 353.426 2.376 20 30 FEEDLO Cc1nc(C[N@H+](C)[C@H]2CCCN(C(=O)c3cccc(C#N)c3)CC2)no1 ZINC000369891804 556722787 /nfs/dbraw/zinc/72/27/87/556722787.db2.gz HIPRSHKTNBFJDW-KRWDZBQOSA-N 1 2 353.426 2.376 20 30 FEEDLO C[N@@H+]1CCN(S(=O)(=O)c2ccc(C#N)c(F)c2)C[C@@H]1Cc1ccccc1 ZINC000516614673 562050554 /nfs/dbraw/zinc/05/05/54/562050554.db2.gz JHAYCVYAMBIREE-KRWDZBQOSA-N 1 2 373.453 2.245 20 30 FEEDLO C[N@H+]1CCN(S(=O)(=O)c2ccc(C#N)c(F)c2)C[C@@H]1Cc1ccccc1 ZINC000516614673 562050555 /nfs/dbraw/zinc/05/05/55/562050555.db2.gz JHAYCVYAMBIREE-KRWDZBQOSA-N 1 2 373.453 2.245 20 30 FEEDLO Cn1cc2c(n1)CCC[C@H]2C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000370240890 556820184 /nfs/dbraw/zinc/82/01/84/556820184.db2.gz LOIMURPFUVZHET-GOSISDBHSA-N 1 2 363.465 2.056 20 30 FEEDLO Cc1cc(N2CCC(NC(=O)[C@@H](C)Oc3ccccc3C#N)CC2)nc[nH+]1 ZINC000370273104 556827057 /nfs/dbraw/zinc/82/70/57/556827057.db2.gz QFSMVGJJVAFVOZ-OAHLLOKOSA-N 1 2 365.437 2.209 20 30 FEEDLO C=CCOCCNC(=O)C(=O)Nc1cccc(-c2[nH+]ccn2CCC)c1 ZINC000370321656 556839162 /nfs/dbraw/zinc/83/91/62/556839162.db2.gz ANFSFWPNCTUNKH-UHFFFAOYSA-N 1 2 356.426 2.217 20 30 FEEDLO C[C@H]([C@@H](C)S(C)(=O)=O)[N@H+](C)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000370365528 556851613 /nfs/dbraw/zinc/85/16/13/556851613.db2.gz GGPOJKYCUBBFHD-ZIAGYGMSSA-N 1 2 360.483 2.212 20 30 FEEDLO C[C@H]([C@@H](C)S(C)(=O)=O)[N@@H+](C)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000370365528 556851615 /nfs/dbraw/zinc/85/16/15/556851615.db2.gz GGPOJKYCUBBFHD-ZIAGYGMSSA-N 1 2 360.483 2.212 20 30 FEEDLO C[C@@H]([C@H](C)S(C)(=O)=O)[N@H+](C)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000370365525 556851786 /nfs/dbraw/zinc/85/17/86/556851786.db2.gz GGPOJKYCUBBFHD-KBPBESRZSA-N 1 2 360.483 2.212 20 30 FEEDLO C[C@@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000370365525 556851788 /nfs/dbraw/zinc/85/17/88/556851788.db2.gz GGPOJKYCUBBFHD-KBPBESRZSA-N 1 2 360.483 2.212 20 30 FEEDLO N#Cc1ccc(N2CC[NH+](CC(=O)NCc3ccc(Cl)cc3)CC2)cn1 ZINC000370620987 556922951 /nfs/dbraw/zinc/92/29/51/556922951.db2.gz AGHQARUCHAMYKY-UHFFFAOYSA-N 1 2 369.856 2.045 20 30 FEEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCCC[C@H]1c1nc(-c2ncccn2)no1 ZINC000370622257 556923150 /nfs/dbraw/zinc/92/31/50/556923150.db2.gz MESOVTOEXOURSK-HNNXBMFYSA-N 1 2 368.441 2.254 20 30 FEEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCCC[C@H]1c1nc(-c2ncccn2)no1 ZINC000370622257 556923152 /nfs/dbraw/zinc/92/31/52/556923152.db2.gz MESOVTOEXOURSK-HNNXBMFYSA-N 1 2 368.441 2.254 20 30 FEEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCCC[C@H]1c1nc(-c2ncccn2)no1 ZINC000370621790 556923499 /nfs/dbraw/zinc/92/34/99/556923499.db2.gz HZAYCQCGJNIWCM-HNNXBMFYSA-N 1 2 370.457 2.478 20 30 FEEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCCC[C@H]1c1nc(-c2ncccn2)no1 ZINC000370621790 556923501 /nfs/dbraw/zinc/92/35/01/556923501.db2.gz HZAYCQCGJNIWCM-HNNXBMFYSA-N 1 2 370.457 2.478 20 30 FEEDLO CC(C)n1nccc1NC(=O)[C@@H](C)[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000370738216 556953821 /nfs/dbraw/zinc/95/38/21/556953821.db2.gz JPZFOGONFHKTLA-ZBFHGGJFSA-N 1 2 368.441 2.211 20 30 FEEDLO CC(C)n1nccc1NC(=O)[C@@H](C)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000370738216 556953825 /nfs/dbraw/zinc/95/38/25/556953825.db2.gz JPZFOGONFHKTLA-ZBFHGGJFSA-N 1 2 368.441 2.211 20 30 FEEDLO Cn1cc(-c2cccc(CN(CCC#N)CC[NH+]3CCOCC3)c2)cn1 ZINC000371321824 557145119 /nfs/dbraw/zinc/14/51/19/557145119.db2.gz SZPPFWMZDCKKCU-UHFFFAOYSA-N 1 2 353.470 2.135 20 30 FEEDLO Cn1cc(-c2cccc(C[N@H+](CCC#N)CCN3CCOCC3)c2)cn1 ZINC000371321824 557145121 /nfs/dbraw/zinc/14/51/21/557145121.db2.gz SZPPFWMZDCKKCU-UHFFFAOYSA-N 1 2 353.470 2.135 20 30 FEEDLO Cn1cc(-c2cccc(C[N@@H+](CCC#N)CCN3CCOCC3)c2)cn1 ZINC000371321824 557145122 /nfs/dbraw/zinc/14/51/22/557145122.db2.gz SZPPFWMZDCKKCU-UHFFFAOYSA-N 1 2 353.470 2.135 20 30 FEEDLO CCOC(=O)c1ccc(C[N@@H+]2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)o1 ZINC000371470509 557190772 /nfs/dbraw/zinc/19/07/72/557190772.db2.gz LYBZEGOAPFPZSD-XCLFUZPHSA-N 1 2 365.389 2.302 20 30 FEEDLO CCOC(=O)c1ccc(C[N@H+]2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)o1 ZINC000371470509 557190773 /nfs/dbraw/zinc/19/07/73/557190773.db2.gz LYBZEGOAPFPZSD-XCLFUZPHSA-N 1 2 365.389 2.302 20 30 FEEDLO C[C@H]1C[NH+]=C(N2CCN(C(=O)[C@]3(C#N)CCc4ccccc4C3)CC2)S1 ZINC000371470089 557190778 /nfs/dbraw/zinc/19/07/78/557190778.db2.gz IRWYQHQSVPXLDV-MGPUTAFESA-N 1 2 368.506 2.321 20 30 FEEDLO Cc1ccc2[nH+]cc(CN3C[C@@H](C#N)[C@]4(C3)c3ccccc3NC4=O)n2c1 ZINC000371471475 557192028 /nfs/dbraw/zinc/19/20/28/557192028.db2.gz USVUXWYPQBGOTD-QVKFZJNVSA-N 1 2 357.417 2.488 20 30 FEEDLO COc1cc(CNc2cc(N3CCC[C@@H](CO)C3)nc[nH+]2)ccc1C#N ZINC000517636559 562094157 /nfs/dbraw/zinc/09/41/57/562094157.db2.gz JYQSOPFNWNJIPM-OAHLLOKOSA-N 1 2 353.426 2.178 20 30 FEEDLO COc1cc(CNc2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)ccc1C#N ZINC000517636559 562094158 /nfs/dbraw/zinc/09/41/58/562094158.db2.gz JYQSOPFNWNJIPM-OAHLLOKOSA-N 1 2 353.426 2.178 20 30 FEEDLO Cn1cc[nH+]c1[C@@H](NC(=O)N=c1ccn(CCC#N)[nH]1)c1ccccc1F ZINC000371792319 557294928 /nfs/dbraw/zinc/29/49/28/557294928.db2.gz JGMBSGZTGZWYDV-INIZCTEOSA-N 1 2 367.388 2.580 20 30 FEEDLO C=C(C)[C@H]1OCC[C@@H]1CNS(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000519519799 562133191 /nfs/dbraw/zinc/13/31/91/562133191.db2.gz JAHWDHWMVRRRPG-CRAIPNDOSA-N 1 2 361.467 2.191 20 30 FEEDLO C=CCn1cc(CNC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)nn1 ZINC000519704784 562140795 /nfs/dbraw/zinc/14/07/95/562140795.db2.gz CRJJWMGVKFDCCA-UHFFFAOYSA-N 1 2 369.473 2.086 20 30 FEEDLO CCc1nc(C[NH+]2C[C@H]3CN(c4ncc(Cl)c(C)c4C#N)C[C@@H]3C2)no1 ZINC000372978882 557602624 /nfs/dbraw/zinc/60/26/24/557602624.db2.gz SKNAZNBYTQVEPB-STQMWFEESA-N 1 2 372.860 2.429 20 30 FEEDLO C[C@@H]1C[N@@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@]2(CCO[C@H](C)C2)O1 ZINC000374018174 557808794 /nfs/dbraw/zinc/80/87/94/557808794.db2.gz NEOJINSJPHCZLS-NVEXJGOOSA-N 1 2 369.465 2.322 20 30 FEEDLO C[C@@H]1C[N@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@]2(CCO[C@H](C)C2)O1 ZINC000374018174 557808795 /nfs/dbraw/zinc/80/87/95/557808795.db2.gz NEOJINSJPHCZLS-NVEXJGOOSA-N 1 2 369.465 2.322 20 30 FEEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@@H]2C(=O)Nc2cc(C)ccc2OC)C1=O ZINC000374163683 557834814 /nfs/dbraw/zinc/83/48/14/557834814.db2.gz PWHHICSEFYMRPP-SJORKVTESA-N 1 2 357.454 2.193 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]2C(=O)Nc2cc(C)ccc2OC)C1=O ZINC000374163683 557834817 /nfs/dbraw/zinc/83/48/17/557834817.db2.gz PWHHICSEFYMRPP-SJORKVTESA-N 1 2 357.454 2.193 20 30 FEEDLO O=C(C#Cc1ccc2c(c1)OCO2)N1CC[NH2+][C@@H](c2cccc(F)c2)C1 ZINC000374374630 557873842 /nfs/dbraw/zinc/87/38/42/557873842.db2.gz NNMHTMRHCYTZLP-QGZVFWFLSA-N 1 2 352.365 2.079 20 30 FEEDLO COC(=O)[C@H](N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)c1cccc(C#N)c1 ZINC000375470331 558032775 /nfs/dbraw/zinc/03/27/75/558032775.db2.gz JJXARCIFJOXVQR-CEXWTWQISA-N 1 2 357.454 2.005 20 30 FEEDLO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CC[S@@](=O)CC[C@@H]2C)c(OC)c1 ZINC000375945339 558103795 /nfs/dbraw/zinc/10/37/95/558103795.db2.gz DUYKPWCTHSMHCJ-XMJUDYLUSA-N 1 2 367.511 2.006 20 30 FEEDLO C=CCc1ccc(OC[C@H](O)C[N@H+]2CC[S@@](=O)CC[C@@H]2C)c(OC)c1 ZINC000375945339 558103797 /nfs/dbraw/zinc/10/37/97/558103797.db2.gz DUYKPWCTHSMHCJ-XMJUDYLUSA-N 1 2 367.511 2.006 20 30 FEEDLO C#CCC(C)(C)C(=O)N1CC[C@@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000376234614 558145364 /nfs/dbraw/zinc/14/53/64/558145364.db2.gz HQOAGANRHUEMKD-MRXNPFEDSA-N 1 2 363.502 2.190 20 30 FEEDLO C[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(C#N)o2)[C@H]1c1ccc(F)c(F)c1 ZINC000376353559 558161998 /nfs/dbraw/zinc/16/19/98/558161998.db2.gz YWHUPIHSZGTPDB-GOEBONIOSA-N 1 2 367.377 2.153 20 30 FEEDLO C[N@H+]1CC[C@H](NS(=O)(=O)c2ccc(C#N)o2)[C@H]1c1ccc(F)c(F)c1 ZINC000376353559 558162000 /nfs/dbraw/zinc/16/20/00/558162000.db2.gz YWHUPIHSZGTPDB-GOEBONIOSA-N 1 2 367.377 2.153 20 30 FEEDLO C#CCN(Cc1ccccc1)C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000376645980 558202590 /nfs/dbraw/zinc/20/25/90/558202590.db2.gz YQFCGVWJCRLQAG-HXUWFJFHSA-N 1 2 373.522 2.039 20 30 FEEDLO C#CCCCCNC(=O)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000376798982 558222733 /nfs/dbraw/zinc/22/27/33/558222733.db2.gz MBXHWQKQTKTIBT-UHFFFAOYSA-N 1 2 362.433 2.460 20 30 FEEDLO N#Cc1ccccc1Cn1cccc1C[NH+]1CCN(c2ccc(=O)[nH]n2)CC1 ZINC000377009988 558251482 /nfs/dbraw/zinc/25/14/82/558251482.db2.gz OKCCQLXVOHDEKI-UHFFFAOYSA-N 1 2 374.448 2.226 20 30 FEEDLO N#Cc1ccc(N2CC[NH+](CCN3C[C@H]4CC[C@@H](C3)O4)CC2)c(Cl)c1 ZINC000377051448 558256171 /nfs/dbraw/zinc/25/61/71/558256171.db2.gz IZPFPBSDDFLBNG-CALCHBBNSA-N 1 2 360.889 2.197 20 30 FEEDLO Cn1cc[nH+]c1C[C@@H]1CCCN(S(=O)(=O)Cc2ccc(C#N)cc2)C1 ZINC000377341684 558319826 /nfs/dbraw/zinc/31/98/26/558319826.db2.gz FKNQEIZUUNMHBC-KRWDZBQOSA-N 1 2 358.467 2.076 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@H]2c2ccc(O)cc2)nc1 ZINC000377562293 558365059 /nfs/dbraw/zinc/36/50/59/558365059.db2.gz KKCSAYWGDSZHJO-KRWDZBQOSA-N 1 2 357.435 2.270 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@H]2c2ccc(O)cc2)nc1 ZINC000377562293 558365061 /nfs/dbraw/zinc/36/50/61/558365061.db2.gz KKCSAYWGDSZHJO-KRWDZBQOSA-N 1 2 357.435 2.270 20 30 FEEDLO CN1CC[NH+]([C@@H](CNC(=O)Cc2ccc(C#N)cc2)c2cccs2)CC1 ZINC000523362139 562211989 /nfs/dbraw/zinc/21/19/89/562211989.db2.gz VWMRKRMBBUGWDL-SFHVURJKSA-N 1 2 368.506 2.267 20 30 FEEDLO CCCC(=O)N1CCC[N@@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000378505401 558571608 /nfs/dbraw/zinc/57/16/08/558571608.db2.gz CIXQFCCNWTZFDQ-IBGZPJMESA-N 1 2 368.481 2.388 20 30 FEEDLO CCCC(=O)N1CCC[N@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000378505401 558571611 /nfs/dbraw/zinc/57/16/11/558571611.db2.gz CIXQFCCNWTZFDQ-IBGZPJMESA-N 1 2 368.481 2.388 20 30 FEEDLO C[N@@H+]1CCN(S(=O)(=O)c2ccc(F)c(C#N)c2)[C@H](c2ccccc2)C1 ZINC000392854833 558619595 /nfs/dbraw/zinc/61/95/95/558619595.db2.gz ALAOLNWNBHGQBT-SFHVURJKSA-N 1 2 359.426 2.375 20 30 FEEDLO C[N@H+]1CCN(S(=O)(=O)c2ccc(F)c(C#N)c2)[C@H](c2ccccc2)C1 ZINC000392854833 558619596 /nfs/dbraw/zinc/61/95/96/558619596.db2.gz ALAOLNWNBHGQBT-SFHVURJKSA-N 1 2 359.426 2.375 20 30 FEEDLO C=CCN(CC1CCCCC1)C(=O)C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000410564141 558778326 /nfs/dbraw/zinc/77/83/26/558778326.db2.gz UUGOZOOKLSHYKQ-QGZVFWFLSA-N 1 2 358.486 2.331 20 30 FEEDLO C=CCN(C)C(=O)C(=O)N1CC[N@@H+](Cc2ccc(C)nc2)C[C@H]1[C@H](C)CC ZINC000410956714 558827585 /nfs/dbraw/zinc/82/75/85/558827585.db2.gz MADABXJFUILAPW-APWZRJJASA-N 1 2 372.513 2.093 20 30 FEEDLO C=CCN(C)C(=O)C(=O)N1CC[N@H+](Cc2ccc(C)nc2)C[C@H]1[C@H](C)CC ZINC000410956714 558827587 /nfs/dbraw/zinc/82/75/87/558827587.db2.gz MADABXJFUILAPW-APWZRJJASA-N 1 2 372.513 2.093 20 30 FEEDLO C=CCOCCCC(=O)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000525199317 562242713 /nfs/dbraw/zinc/24/27/13/562242713.db2.gz QHOVTSVEYNVDRK-UHFFFAOYSA-N 1 2 360.454 2.085 20 30 FEEDLO Cc1oc(NC(=O)C[N@@H+]2CCC[C@@H](N3CCCC3=O)CC2)c(C#N)c1C ZINC000412059812 559008222 /nfs/dbraw/zinc/00/82/22/559008222.db2.gz YFVRPOUNXCISPN-OAHLLOKOSA-N 1 2 358.442 2.184 20 30 FEEDLO Cc1oc(NC(=O)C[N@H+]2CCC[C@@H](N3CCCC3=O)CC2)c(C#N)c1C ZINC000412059812 559008223 /nfs/dbraw/zinc/00/82/23/559008223.db2.gz YFVRPOUNXCISPN-OAHLLOKOSA-N 1 2 358.442 2.184 20 30 FEEDLO CN(CCC#N)C[C@H](O)C[NH+]1CC(OCc2cccc3ccccc32)C1 ZINC000414154722 559151101 /nfs/dbraw/zinc/15/11/01/559151101.db2.gz UCIFPQYVELLWHK-IBGZPJMESA-N 1 2 353.466 2.247 20 30 FEEDLO C[N@H+](CCC#N)C[C@H](O)CN1CC(OCc2cccc3ccccc32)C1 ZINC000414154722 559151102 /nfs/dbraw/zinc/15/11/02/559151102.db2.gz UCIFPQYVELLWHK-IBGZPJMESA-N 1 2 353.466 2.247 20 30 FEEDLO C[N@@H+](CCC#N)C[C@H](O)CN1CC(OCc2cccc3ccccc32)C1 ZINC000414154722 559151103 /nfs/dbraw/zinc/15/11/03/559151103.db2.gz UCIFPQYVELLWHK-IBGZPJMESA-N 1 2 353.466 2.247 20 30 FEEDLO CC[N@@H+]1CC[C@H](NS(=O)(=O)[C@H](C)C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000416447164 559313430 /nfs/dbraw/zinc/31/34/30/559313430.db2.gz BMUDMNUOIZCTJF-ONERCXAPSA-N 1 2 359.854 2.446 20 30 FEEDLO CC[N@H+]1CC[C@H](NS(=O)(=O)[C@H](C)C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000416447164 559313431 /nfs/dbraw/zinc/31/34/31/559313431.db2.gz BMUDMNUOIZCTJF-ONERCXAPSA-N 1 2 359.854 2.446 20 30 FEEDLO Cc1cc(NC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)c(C#N)cc1N(C)C ZINC000417165673 559350797 /nfs/dbraw/zinc/35/07/97/559350797.db2.gz WFRHTZBOVXCSCG-DOTOQJQBSA-N 1 2 371.485 2.260 20 30 FEEDLO Cc1cc(N2CCN(C(=O)NCC3(C#N)CCC3)CC2)nc(C(C)C)[nH+]1 ZINC000419639238 559451034 /nfs/dbraw/zinc/45/10/34/559451034.db2.gz HQBNMIXXWGIHMO-UHFFFAOYSA-N 1 2 356.474 2.434 20 30 FEEDLO C=C(C)C(C)(C)C(=O)Nc1ccc(C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000424647019 559672213 /nfs/dbraw/zinc/67/22/13/559672213.db2.gz UBZOUQKKYJPGCO-UHFFFAOYSA-N 1 2 359.470 2.289 20 30 FEEDLO Cc1cc(NCc2cccc(C(=O)NC[C@@H]3CCCO3)c2)c(C#N)c[nH+]1 ZINC000425217563 559691852 /nfs/dbraw/zinc/69/18/52/559691852.db2.gz VBKVGXLMSGYVOL-SFHVURJKSA-N 1 2 350.422 2.205 20 30 FEEDLO COC(=O)c1cnc([C@@H](C)[NH2+]CC(=O)Nc2oc(C)c(C)c2C#N)s1 ZINC000425489956 559705240 /nfs/dbraw/zinc/70/52/40/559705240.db2.gz ONEOXENXJBQJLF-SECBINFHSA-N 1 2 362.411 2.301 20 30 FEEDLO N#Cc1cnc(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)c(Cl)c1 ZINC000427924269 559765244 /nfs/dbraw/zinc/76/52/44/559765244.db2.gz QALXHVSORJNJON-INIZCTEOSA-N 1 2 370.840 2.237 20 30 FEEDLO N#Cc1cnc(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c(Cl)c1 ZINC000427924269 559765245 /nfs/dbraw/zinc/76/52/45/559765245.db2.gz QALXHVSORJNJON-INIZCTEOSA-N 1 2 370.840 2.237 20 30 FEEDLO COc1cc(C#N)ccc1OCCCC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000428004917 559767288 /nfs/dbraw/zinc/76/72/88/559767288.db2.gz IQOBJHBEUHQORR-HNNXBMFYSA-N 1 2 354.410 2.054 20 30 FEEDLO Cc1cc(NS(=O)(=O)c2ccc(C#N)cc2C)n(C2CC[NH+](C)CC2)n1 ZINC000432353853 559857208 /nfs/dbraw/zinc/85/72/08/559857208.db2.gz QAPOKEWTHJGRFH-UHFFFAOYSA-N 1 2 373.482 2.439 20 30 FEEDLO COC(=O)c1cc([C@H](C)[NH+]2CCN(c3c(C#N)c(C)nn3C)CC2)oc1C ZINC000432803559 559865193 /nfs/dbraw/zinc/86/51/93/559865193.db2.gz HFNMZJABCBLHAV-ZDUSSCGKSA-N 1 2 371.441 2.171 20 30 FEEDLO CC[C@H](C)c1ncc(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)cn1 ZINC000434528725 559902065 /nfs/dbraw/zinc/90/20/65/559902065.db2.gz HCXCOPABKNVHBD-HNNXBMFYSA-N 1 2 360.462 2.070 20 30 FEEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000434699475 559906735 /nfs/dbraw/zinc/90/67/35/559906735.db2.gz LAEXRVCMAVCXPJ-GOSISDBHSA-N 1 2 372.513 2.364 20 30 FEEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000434699475 559906736 /nfs/dbraw/zinc/90/67/36/559906736.db2.gz LAEXRVCMAVCXPJ-GOSISDBHSA-N 1 2 372.513 2.364 20 30 FEEDLO C[C@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccccc1C#Cc1ccccc1 ZINC000440269752 560007815 /nfs/dbraw/zinc/00/78/15/560007815.db2.gz KWLRDDUNCHBCJK-KRWDZBQOSA-N 1 2 361.445 2.187 20 30 FEEDLO C[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccccc1C#Cc1ccccc1 ZINC000440269752 560007816 /nfs/dbraw/zinc/00/78/16/560007816.db2.gz KWLRDDUNCHBCJK-KRWDZBQOSA-N 1 2 361.445 2.187 20 30 FEEDLO CCOc1ccccc1C[N@@H+]1CCN(CC(=O)N(CC)CCC#N)[C@@H](C)C1 ZINC000441337483 560028859 /nfs/dbraw/zinc/02/88/59/560028859.db2.gz JLEMCQGPLPXBDV-SFHVURJKSA-N 1 2 372.513 2.354 20 30 FEEDLO CCOc1ccccc1C[N@H+]1CCN(CC(=O)N(CC)CCC#N)[C@@H](C)C1 ZINC000441337483 560028860 /nfs/dbraw/zinc/02/88/60/560028860.db2.gz JLEMCQGPLPXBDV-SFHVURJKSA-N 1 2 372.513 2.354 20 30 FEEDLO CCOc1ccccc1CN1CC[N@H+](CC(=O)N(CC)CCC#N)[C@@H](C)C1 ZINC000441337483 560028861 /nfs/dbraw/zinc/02/88/61/560028861.db2.gz JLEMCQGPLPXBDV-SFHVURJKSA-N 1 2 372.513 2.354 20 30 FEEDLO CCOc1ccccc1CN1CC[N@@H+](CC(=O)N(CC)CCC#N)[C@@H](C)C1 ZINC000441337483 560028862 /nfs/dbraw/zinc/02/88/62/560028862.db2.gz JLEMCQGPLPXBDV-SFHVURJKSA-N 1 2 372.513 2.354 20 30 FEEDLO C[C@@H](C#N)CN(C(=O)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1)C1CC1 ZINC000441913268 560040840 /nfs/dbraw/zinc/04/08/40/560040840.db2.gz UPJHZFOXWUUFEN-ZDUSSCGKSA-N 1 2 351.410 2.176 20 30 FEEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC000442208763 560046088 /nfs/dbraw/zinc/04/60/88/560046088.db2.gz OAKWBKMISHPBBS-NSHDSACASA-N 1 2 372.347 2.299 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Cc3ccc(O)c(F)c3)CC2)cc1 ZINC000448580087 560190864 /nfs/dbraw/zinc/19/08/64/560190864.db2.gz WVTVENDQEGMOEB-UHFFFAOYSA-N 1 2 353.397 2.290 20 30 FEEDLO C=CCNC(=O)CN1CCN(c2cc[nH+]c3cc(F)c(Cl)cc32)CC1 ZINC000450233842 560255017 /nfs/dbraw/zinc/25/50/17/560255017.db2.gz OYJMLFCNIPKGPB-UHFFFAOYSA-N 1 2 362.836 2.452 20 30 FEEDLO CNc1cc(N2CCC[C@@H]2CNc2cccc(C#N)c2[N+](=O)[O-])nc[nH+]1 ZINC000450315305 560258267 /nfs/dbraw/zinc/25/82/67/560258267.db2.gz WVNOQEXAAJDZGX-CYBMUJFWSA-N 1 2 353.386 2.379 20 30 FEEDLO CNc1cc(N2CCC[C@@H]2CNc2cccc(C#N)c2[N+](=O)[O-])[nH+]cn1 ZINC000450315305 560258268 /nfs/dbraw/zinc/25/82/68/560258268.db2.gz WVNOQEXAAJDZGX-CYBMUJFWSA-N 1 2 353.386 2.379 20 30 FEEDLO Cc1cncc(-c2nc(C[N@@H+]3CC[C@@H](Oc4ccc(C#N)cn4)C3)no2)c1 ZINC000451055097 560284896 /nfs/dbraw/zinc/28/48/96/560284896.db2.gz KEYDJHWKNLXBCO-MRXNPFEDSA-N 1 2 362.393 2.360 20 30 FEEDLO Cc1cncc(-c2nc(C[N@H+]3CC[C@@H](Oc4ccc(C#N)cn4)C3)no2)c1 ZINC000451055097 560284897 /nfs/dbraw/zinc/28/48/97/560284897.db2.gz KEYDJHWKNLXBCO-MRXNPFEDSA-N 1 2 362.393 2.360 20 30 FEEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+](C)Cc1ccccn1 ZINC000451372454 560303187 /nfs/dbraw/zinc/30/31/87/560303187.db2.gz GOSMSEDSCBEEMT-UHFFFAOYSA-N 1 2 369.469 2.479 20 30 FEEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+](C)Cc1ccccn1 ZINC000451372454 560303188 /nfs/dbraw/zinc/30/31/88/560303188.db2.gz GOSMSEDSCBEEMT-UHFFFAOYSA-N 1 2 369.469 2.479 20 30 FEEDLO CC(C)(C)OC(=O)C[NH2+][C@@]1(C)CCN(C(=O)[C@@]2(C#N)CC23CCCC3)C1 ZINC000451446696 560307618 /nfs/dbraw/zinc/30/76/18/560307618.db2.gz QPNONEZOEVJTRB-ICSRJNTNSA-N 1 2 361.486 2.383 20 30 FEEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCC[C@@H](NC(=O)N(C)C)C1 ZINC000452019903 560345923 /nfs/dbraw/zinc/34/59/23/560345923.db2.gz RLHCAGJNUFBMIH-DLBZAZTESA-N 1 2 371.485 2.057 20 30 FEEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCC[C@@H](NC(=O)N(C)C)C1 ZINC000452019903 560345924 /nfs/dbraw/zinc/34/59/24/560345924.db2.gz RLHCAGJNUFBMIH-DLBZAZTESA-N 1 2 371.485 2.057 20 30 FEEDLO C=CCC1(NC(=O)N=c2ccn(CC[NH+]3CCOCC3)[nH]2)CCCCC1 ZINC000454817229 560459364 /nfs/dbraw/zinc/45/93/64/560459364.db2.gz AWNKXEYEYKPXKK-UHFFFAOYSA-N 1 2 361.490 2.616 20 30 FEEDLO CCN1CCN(C(=O)NCc2ccc(C#N)c(F)c2)C[C@H]1c1[nH]cc[nH+]1 ZINC000455546030 560486513 /nfs/dbraw/zinc/48/65/13/560486513.db2.gz QTXQYRBQFKWVRZ-INIZCTEOSA-N 1 2 356.405 2.009 20 30 FEEDLO C=CCN1C(=O)c2ccc(C(=O)N[C@H](C)c3[nH+]ccn3CC)cc2C1=O ZINC000456391193 560518811 /nfs/dbraw/zinc/51/88/11/560518811.db2.gz PLOQZBKPOBNLTH-GFCCVEGCSA-N 1 2 352.394 2.176 20 30 FEEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 ZINC000456407402 560519619 /nfs/dbraw/zinc/51/96/19/560519619.db2.gz YSJNSPGIGHBEPC-CQSZACIVSA-N 1 2 374.466 2.471 20 30 FEEDLO C=CCC[C@@H](NC(=O)c1cccc(C[NH+]2CCOCC2)c1)C(=O)OCC ZINC000456628310 560526421 /nfs/dbraw/zinc/52/64/21/560526421.db2.gz OCLZXLQPGUNBIO-GOSISDBHSA-N 1 2 360.454 2.147 20 30 FEEDLO COc1cc2c(cc1OC)C[N@H+](CCNC(=O)N(C)CC(C)(C)C#N)CC2 ZINC000458392256 560619853 /nfs/dbraw/zinc/61/98/53/560619853.db2.gz AWDSOYALKTYUSP-UHFFFAOYSA-N 1 2 374.485 2.253 20 30 FEEDLO COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)N(C)CC(C)(C)C#N)CC2 ZINC000458392256 560619854 /nfs/dbraw/zinc/61/98/54/560619854.db2.gz AWDSOYALKTYUSP-UHFFFAOYSA-N 1 2 374.485 2.253 20 30 FEEDLO C=CCC[C@H](CO)NC(=O)NC[C@H](c1ccc(C)s1)[NH+]1CCOCC1 ZINC000458480932 560626058 /nfs/dbraw/zinc/62/60/58/560626058.db2.gz BBVLCNNUCBRYQA-HZPDHXFCSA-N 1 2 367.515 2.056 20 30 FEEDLO CCOC(=O)c1ncn(C2CC[NH+](Cc3ccc(F)cc3C#N)CC2)c1N ZINC000459418059 560685450 /nfs/dbraw/zinc/68/54/50/560685450.db2.gz FHGRYCVETLOQOF-UHFFFAOYSA-N 1 2 371.416 2.490 20 30 FEEDLO COc1cc(C[NH+]2CCN(C(=O)N[C@@H]3CCC[C@@H]3C#N)CC2)cc(OC)c1 ZINC000461960955 560789777 /nfs/dbraw/zinc/78/97/77/560789777.db2.gz WXKURPBJRFWWPW-VQIMIIECSA-N 1 2 372.469 2.223 20 30 FEEDLO COC(=O)[C@@H]1c2ccccc2CC[N@H+]1C[C@@H](O)COc1ccc(C#N)cc1 ZINC000464831084 560852703 /nfs/dbraw/zinc/85/27/03/560852703.db2.gz RKNBYXJHUFFVOD-XLIONFOSSA-N 1 2 366.417 2.070 20 30 FEEDLO COC(=O)[C@@H]1c2ccccc2CC[N@@H+]1C[C@@H](O)COc1ccc(C#N)cc1 ZINC000464831084 560852704 /nfs/dbraw/zinc/85/27/04/560852704.db2.gz RKNBYXJHUFFVOD-XLIONFOSSA-N 1 2 366.417 2.070 20 30 FEEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000465888678 560875262 /nfs/dbraw/zinc/87/52/62/560875262.db2.gz DRKQOWSPAZELTO-NZSAHSFTSA-N 1 2 356.470 2.188 20 30 FEEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000465888678 560875263 /nfs/dbraw/zinc/87/52/63/560875263.db2.gz DRKQOWSPAZELTO-NZSAHSFTSA-N 1 2 356.470 2.188 20 30 FEEDLO C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000471004246 560996263 /nfs/dbraw/zinc/99/62/63/560996263.db2.gz HIWAWVVWMVTTLW-MAUKXSAKSA-N 1 2 373.888 2.283 20 30 FEEDLO Cc1nn(C)c(N2CC[NH+](Cc3ccc([N+](=O)[O-])cc3C)CC2)c1C#N ZINC000471825958 561012433 /nfs/dbraw/zinc/01/24/33/561012433.db2.gz LBDPOBMHTPGXKR-UHFFFAOYSA-N 1 2 354.414 2.139 20 30 FEEDLO CCOc1cc(C[NH+]2CCN(c3c(C#N)c(C)nn3C)CC2)ccc1OC ZINC000471826831 561012460 /nfs/dbraw/zinc/01/24/60/561012460.db2.gz ZJFKBLNZCWNPQV-UHFFFAOYSA-N 1 2 369.469 2.330 20 30 FEEDLO CCOC(=O)c1coc(C[N@@H+]2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)c1 ZINC000474396409 561073302 /nfs/dbraw/zinc/07/33/02/561073302.db2.gz XMQPHNABTUOVAO-VLIAUNLRSA-N 1 2 365.389 2.302 20 30 FEEDLO CCOC(=O)c1coc(C[N@H+]2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)c1 ZINC000474396409 561073303 /nfs/dbraw/zinc/07/33/03/561073303.db2.gz XMQPHNABTUOVAO-VLIAUNLRSA-N 1 2 365.389 2.302 20 30 FEEDLO Cn1cc[nH+]c1CN1CCN(C(=O)C[C@H](CC#N)c2ccccc2)CC1 ZINC000475638370 561101373 /nfs/dbraw/zinc/10/13/73/561101373.db2.gz OBHCNNKTMDJEFF-SFHVURJKSA-N 1 2 351.454 2.152 20 30 FEEDLO N#Cc1ccc(C2(NC(=O)[C@H]3CCc4[nH+]ccn4C3)CCOCC2)cc1 ZINC000530059244 562396297 /nfs/dbraw/zinc/39/62/97/562396297.db2.gz CBQXKDWXLYZUKX-INIZCTEOSA-N 1 2 350.422 2.139 20 30 FEEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2C[C@H](O)C[C@@H]2C)c1C#N ZINC000530519697 562414273 /nfs/dbraw/zinc/41/42/73/562414273.db2.gz QZFMLDPFURIDLY-SWLSCSKDSA-N 1 2 356.426 2.012 20 30 FEEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2C[C@H](O)C[C@@H]2C)c1C#N ZINC000530519697 562414274 /nfs/dbraw/zinc/41/42/74/562414274.db2.gz QZFMLDPFURIDLY-SWLSCSKDSA-N 1 2 356.426 2.012 20 30 FEEDLO C[C@H](C#N)CN(CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)C1CC1 ZINC000532819376 562489851 /nfs/dbraw/zinc/48/98/51/562489851.db2.gz MAHSSAKJJYNHDD-MRXNPFEDSA-N 1 2 356.470 2.081 20 30 FEEDLO C[C@H](C(=O)N(CCC#N)c1ccc2c(c1)OCCO2)[NH+]1CCSCC1 ZINC000533547707 562512534 /nfs/dbraw/zinc/51/25/34/562512534.db2.gz CZEXQTXSEMFQKE-CQSZACIVSA-N 1 2 361.467 2.142 20 30 FEEDLO C=C[C@@H](CC(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1)c1ccccc1 ZINC000533946738 562522124 /nfs/dbraw/zinc/52/21/24/562522124.db2.gz IUSUAGUWBXVAAW-SFHVURJKSA-N 1 2 369.509 2.407 20 30 FEEDLO N#Cc1ccc(N2CC[NH+](Cc3cnc(N4CCCC4)nc3)CC2)c(F)c1 ZINC000534349520 562532319 /nfs/dbraw/zinc/53/23/19/562532319.db2.gz CMLKJDCKRLBDQR-UHFFFAOYSA-N 1 2 366.444 2.410 20 30 FEEDLO COC(=O)c1cccc(CN2CC[NH+](Cc3ccncc3)CC2)c1C#N ZINC000535765262 562567356 /nfs/dbraw/zinc/56/73/56/562567356.db2.gz HOJDTTKACTXJPN-UHFFFAOYSA-N 1 2 350.422 2.058 20 30 FEEDLO C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)Nc2cc(C#N)ccc2Cl)C1 ZINC000536069677 562572272 /nfs/dbraw/zinc/57/22/72/562572272.db2.gz SHZVGOZYGGVXKC-QGZVFWFLSA-N 1 2 368.824 2.453 20 30 FEEDLO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)Nc2cc(C#N)ccc2Cl)C1 ZINC000536069677 562572273 /nfs/dbraw/zinc/57/22/73/562572273.db2.gz SHZVGOZYGGVXKC-QGZVFWFLSA-N 1 2 368.824 2.453 20 30 FEEDLO CN(Cc1[nH+]ccn1CC(F)(F)F)S(=O)(=O)CC1(C#N)CCCC1 ZINC000546065737 562633150 /nfs/dbraw/zinc/63/31/50/562633150.db2.gz LDIWYUIMJLEBQO-UHFFFAOYSA-N 1 2 364.393 2.291 20 30 FEEDLO COC(=O)c1ccc(C[NH+]2CCN(c3cccc(C#N)n3)CC2)cc1F ZINC000546209976 562635262 /nfs/dbraw/zinc/63/52/62/562635262.db2.gz LUQCIXIGCNZXET-UHFFFAOYSA-N 1 2 354.385 2.201 20 30 FEEDLO C[C@@H]1C[NH+](CC(=O)NCCCSc2ccccc2)C[C@@H](C)N1CC#N ZINC000602855647 568002237 /nfs/dbraw/zinc/00/22/37/568002237.db2.gz IEXUTARJIMALGR-IAGOWNOFSA-N 1 2 360.527 2.203 20 30 FEEDLO CSc1ccc(CN(C)C(=O)C[N@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)cc1 ZINC000602855685 568002251 /nfs/dbraw/zinc/00/22/51/568002251.db2.gz IGENBPBYXJFVMW-IYBDPMFKSA-N 1 2 360.527 2.285 20 30 FEEDLO CSc1ccc(CN(C)C(=O)C[N@@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)cc1 ZINC000602855685 568002252 /nfs/dbraw/zinc/00/22/52/568002252.db2.gz IGENBPBYXJFVMW-IYBDPMFKSA-N 1 2 360.527 2.285 20 30 FEEDLO CN(C)C(=O)c1ccc(OC2CC[NH+](C[C@@H](C#N)CCC#N)CC2)nc1 ZINC000602890462 568007006 /nfs/dbraw/zinc/00/70/06/568007006.db2.gz MMBKDPDKIBTQNH-OAHLLOKOSA-N 1 2 355.442 2.070 20 30 FEEDLO C[C@@H]([NH2+][C@@H](C)CC#N)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 ZINC000602870461 568009073 /nfs/dbraw/zinc/00/90/73/568009073.db2.gz UFGSONIBUQEKTH-VHSXEESVSA-N 1 2 354.332 2.271 20 30 FEEDLO C=CCn1cc(C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)nn1 ZINC000602696242 568016281 /nfs/dbraw/zinc/01/62/81/568016281.db2.gz WZCLUHINHMNGJV-UHFFFAOYSA-N 1 2 358.221 2.486 20 30 FEEDLO C=CC[N@H+](C[C@H]1CCc2ncnn21)[C@@H](Cc1ccccc1)C(=O)OCC ZINC000602813098 568042607 /nfs/dbraw/zinc/04/26/07/568042607.db2.gz DUYNQWBSFNTNBV-MSOLQXFVSA-N 1 2 354.454 2.428 20 30 FEEDLO C=CC[N@@H+](C[C@H]1CCc2ncnn21)[C@@H](Cc1ccccc1)C(=O)OCC ZINC000602813098 568042609 /nfs/dbraw/zinc/04/26/09/568042609.db2.gz DUYNQWBSFNTNBV-MSOLQXFVSA-N 1 2 354.454 2.428 20 30 FEEDLO COc1ccc(NC(=O)C[NH+]2C[C@H](C)N(CC#N)[C@@H](C)C2)cc1Cl ZINC000602860947 568049430 /nfs/dbraw/zinc/04/94/30/568049430.db2.gz JVXYHUWLHHQHDA-STQMWFEESA-N 1 2 350.850 2.205 20 30 FEEDLO CC(C)[C@@H](C#N)N1CC[NH+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)CC1 ZINC000609484666 568344892 /nfs/dbraw/zinc/34/48/92/568344892.db2.gz FGKMYDQDNLXMSS-AZUAARDMSA-N 1 2 367.497 2.488 20 30 FEEDLO C=CC[N@H+](Cc1cccc(-c2nn[nH]n2)c1)CN1C[C@H](C(C)C)CC1=O ZINC000735426196 598827763 /nfs/dbraw/zinc/82/77/63/598827763.db2.gz LOYPMUKKVDUOTM-QGZVFWFLSA-N 1 2 354.458 2.317 20 30 FEEDLO C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)CN1C[C@H](C(C)C)CC1=O ZINC000735426196 598827766 /nfs/dbraw/zinc/82/77/66/598827766.db2.gz LOYPMUKKVDUOTM-QGZVFWFLSA-N 1 2 354.458 2.317 20 30 FEEDLO C=CC[N@H+](Cc1cccc(-c2nn[nH]n2)c1)CN1C[C@H](CCC)CC1=O ZINC000819745961 599328959 /nfs/dbraw/zinc/32/89/59/599328959.db2.gz WUYFDFHUQYKHGK-OAHLLOKOSA-N 1 2 354.458 2.461 20 30 FEEDLO C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)CN1C[C@H](CCC)CC1=O ZINC000819745961 599328963 /nfs/dbraw/zinc/32/89/63/599328963.db2.gz WUYFDFHUQYKHGK-OAHLLOKOSA-N 1 2 354.458 2.461 20 30 FEEDLO C=C(C)Cn1c(Cc2ccsc2)nnc1N(C)CC[NH+]1CCOCC1 ZINC000559004951 674523388 /nfs/dbraw/zinc/52/33/88/674523388.db2.gz CYWFTTMWFDISSM-UHFFFAOYSA-N 1 2 361.515 2.275 20 30 FEEDLO CC#CC[NH2+]Cc1cn(Cc2cc(Br)cc(F)c2F)nn1 ZINC000641119384 677194867 /nfs/dbraw/zinc/19/48/67/677194867.db2.gz PDPZRQBIFNYUKA-UHFFFAOYSA-N 1 2 355.186 2.480 20 30 FEEDLO C[C@@]1(c2cccc(C#N)c2)NC(=O)N(C[N@@H+]2CCSC(C)(C)C2)C1=O ZINC000083630802 670659593 /nfs/dbraw/zinc/65/95/93/670659593.db2.gz FUUAYGJSUBIZTQ-SFHVURJKSA-N 1 2 358.467 2.110 20 30 FEEDLO C[C@@]1(c2cccc(C#N)c2)NC(=O)N(C[N@H+]2CCSC(C)(C)C2)C1=O ZINC000083630802 670659600 /nfs/dbraw/zinc/65/96/00/670659600.db2.gz FUUAYGJSUBIZTQ-SFHVURJKSA-N 1 2 358.467 2.110 20 30 FEEDLO CN(CCO)c1ccc(NCc2ccc(C#N)cc2C(F)(F)F)[nH+]c1 ZINC000589315693 672521317 /nfs/dbraw/zinc/52/13/17/672521317.db2.gz VXZBRVOWNUSOEJ-UHFFFAOYSA-N 1 2 350.344 3.013 20 30 FEEDLO C=CC[N@@H+](CCOC)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000191099193 672658771 /nfs/dbraw/zinc/65/87/71/672658771.db2.gz QLPZFQZQDFDQEN-UHFFFAOYSA-N 1 2 372.219 2.430 20 30 FEEDLO C=CC[N@H+](CCOC)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000191099193 672658774 /nfs/dbraw/zinc/65/87/74/672658774.db2.gz QLPZFQZQDFDQEN-UHFFFAOYSA-N 1 2 372.219 2.430 20 30 FEEDLO COc1cc(Br)c(C[N@@H+]2CC[C@](O)(CC#N)C2)cc1OC ZINC000592146190 672764010 /nfs/dbraw/zinc/76/40/10/672764010.db2.gz FTTLWCKLOIOPRP-OAHLLOKOSA-N 1 2 355.232 2.317 20 30 FEEDLO COc1cc(Br)c(C[N@H+]2CC[C@](O)(CC#N)C2)cc1OC ZINC000592146190 672764013 /nfs/dbraw/zinc/76/40/13/672764013.db2.gz FTTLWCKLOIOPRP-OAHLLOKOSA-N 1 2 355.232 2.317 20 30 FEEDLO CC(C)(C)CC(=O)N1CSC[C@H]1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000329136723 673073021 /nfs/dbraw/zinc/07/30/21/673073021.db2.gz CYESXMMEIJHZDC-AWEZNQCLSA-N 1 2 371.547 2.391 20 30 FEEDLO CC(C)(C)CC(=O)N1CSC[C@H]1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000329136723 673073026 /nfs/dbraw/zinc/07/30/26/673073026.db2.gz CYESXMMEIJHZDC-AWEZNQCLSA-N 1 2 371.547 2.391 20 30 FEEDLO N#Cc1ccc(Br)c(CN2CC[NH+](Cc3cn[nH]c3)CC2)c1 ZINC000599439201 673675761 /nfs/dbraw/zinc/67/57/61/673675761.db2.gz KJWCBOTWGRCRQR-UHFFFAOYSA-N 1 2 360.259 2.362 20 30 FEEDLO COC(=O)[C@@]1([NH2+]C[C@@H](O)CC2(C#N)CCOCC2)CCCC(C)(C)C1 ZINC000599556612 673691523 /nfs/dbraw/zinc/69/15/23/673691523.db2.gz OFYXXGWNSAYTCP-HNAYVOBHSA-N 1 2 352.475 2.159 20 30 FEEDLO CCS(=O)(=O)C=C(C)NNc1[nH+]c(-c2ccccn2)nc2c1CCC2 ZINC000741808530 673698370 /nfs/dbraw/zinc/69/83/70/673698370.db2.gz LNTQZOYGFXFUMP-UHFFFAOYSA-N 1 2 359.455 2.250 20 30 FEEDLO N#CCc1ccccc1S(=O)(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000601470261 673867947 /nfs/dbraw/zinc/86/79/47/673867947.db2.gz RTJWZWDXVXHIIW-SFHVURJKSA-N 1 2 355.463 2.305 20 30 FEEDLO N#CCc1ccccc1S(=O)(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000601470261 673867951 /nfs/dbraw/zinc/86/79/51/673867951.db2.gz RTJWZWDXVXHIIW-SFHVURJKSA-N 1 2 355.463 2.305 20 30 FEEDLO N#CCC(=O)N1CC[NH+](CCOc2cc(F)cc(Br)c2)CC1 ZINC000566924127 675253385 /nfs/dbraw/zinc/25/33/85/675253385.db2.gz RLIORXIDWYKLIO-UHFFFAOYSA-N 1 2 370.222 2.025 20 30 FEEDLO C=CCCCC[NH+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000567120354 675268447 /nfs/dbraw/zinc/26/84/47/675268447.db2.gz AGWPMMJKNRWKOP-UHFFFAOYSA-N 1 2 353.444 2.257 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+]2[C@H](C)CN(C(=O)OC(C)(C)C)[C@H](C)[C@H]2C)C1=O ZINC000830182392 677029189 /nfs/dbraw/zinc/02/91/89/677029189.db2.gz ADTZZCBATCUBHG-FPCVCCKLSA-N 1 2 351.491 2.492 20 30 FEEDLO C=CCN1CC[C@H]([N@H+]2[C@H](C)CN(C(=O)OC(C)(C)C)[C@H](C)[C@H]2C)C1=O ZINC000830182392 677029191 /nfs/dbraw/zinc/02/91/91/677029191.db2.gz ADTZZCBATCUBHG-FPCVCCKLSA-N 1 2 351.491 2.492 20 30 FEEDLO C=CC[N@H+]([C@H]1CCS(=O)(=O)C1)[C@H]1CCc2cc(OC)c(OC)cc21 ZINC000637961891 677136965 /nfs/dbraw/zinc/13/69/65/677136965.db2.gz FUDGOQXIOWMIPM-HOCLYGCPSA-N 1 2 351.468 2.366 20 30 FEEDLO C=CC[N@@H+]([C@H]1CCS(=O)(=O)C1)[C@H]1CCc2cc(OC)c(OC)cc21 ZINC000637961891 677136966 /nfs/dbraw/zinc/13/69/66/677136966.db2.gz FUDGOQXIOWMIPM-HOCLYGCPSA-N 1 2 351.468 2.366 20 30 FEEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(c3ccc(Cl)cc3F)C2=O)nn1 ZINC000641107894 677194493 /nfs/dbraw/zinc/19/44/93/677194493.db2.gz JOINZTNTBVOPMJ-MRXNPFEDSA-N 1 2 361.808 2.162 20 30 FEEDLO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000660448181 678340993 /nfs/dbraw/zinc/34/09/93/678340993.db2.gz QNRKNXXWFKKOCA-JZXOWHBKSA-N 1 2 351.516 2.087 20 30 FEEDLO C=CC[C@@H]1CCC[N@@H+](CC(=O)N(CCCC)[C@H]2CCS(=O)(=O)C2)C1 ZINC000661377652 678472850 /nfs/dbraw/zinc/47/28/50/678472850.db2.gz RBOWCKTUQWZICS-SJORKVTESA-N 1 2 356.532 2.090 20 30 FEEDLO C=CC[C@@H]1CCC[N@H+](CC(=O)N(CCCC)[C@H]2CCS(=O)(=O)C2)C1 ZINC000661377652 678472854 /nfs/dbraw/zinc/47/28/54/678472854.db2.gz RBOWCKTUQWZICS-SJORKVTESA-N 1 2 356.532 2.090 20 30 FEEDLO C#CCCCS(=O)(=O)Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000840946839 680855635 /nfs/dbraw/zinc/85/56/35/680855635.db2.gz PLPJQTFBNQHHMU-IYBDPMFKSA-N 1 2 350.484 2.451 20 30 FEEDLO C#CCCCS(=O)(=O)Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000840946839 680855636 /nfs/dbraw/zinc/85/56/36/680855636.db2.gz PLPJQTFBNQHHMU-IYBDPMFKSA-N 1 2 350.484 2.451 20 30 FEEDLO C#Cc1cccc(N(Cc2cccs2)C[C@H](O)C[NH+]2CCOCC2)c1 ZINC000749224227 680031370 /nfs/dbraw/zinc/03/13/70/680031370.db2.gz ZCHAGNPCTFACAY-LJQANCHMSA-N 1 2 356.491 2.429 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2c(C)nn(C)c2Cl)C1 ZINC001015827882 680052984 /nfs/dbraw/zinc/05/29/84/680052984.db2.gz WCHHKXVOQBJZGI-DZKIICNBSA-N 1 2 366.893 2.054 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2c(C)nn(C)c2Cl)C1 ZINC001015827882 680052990 /nfs/dbraw/zinc/05/29/90/680052990.db2.gz WCHHKXVOQBJZGI-DZKIICNBSA-N 1 2 366.893 2.054 20 30 FEEDLO COC(=O)[C@H](c1ccc(C#N)cc1)N1CCC([N@H+](C)CC(F)F)CC1 ZINC000749847107 680080796 /nfs/dbraw/zinc/08/07/96/680080796.db2.gz VNWICISEZHCSQB-KRWDZBQOSA-N 1 2 351.397 2.434 20 30 FEEDLO COC(=O)[C@H](c1ccc(C#N)cc1)N1CCC([N@@H+](C)CC(F)F)CC1 ZINC000749847107 680080803 /nfs/dbraw/zinc/08/08/03/680080803.db2.gz VNWICISEZHCSQB-KRWDZBQOSA-N 1 2 351.397 2.434 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[N@H+](Cc2snnc2C)CC1(C)C ZINC000977325793 680160597 /nfs/dbraw/zinc/16/05/97/680160597.db2.gz JOKDMOABXZBLEG-BPUTZDHNSA-N 1 2 364.515 2.154 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[N@@H+](Cc2snnc2C)CC1(C)C ZINC000977325793 680160599 /nfs/dbraw/zinc/16/05/99/680160599.db2.gz JOKDMOABXZBLEG-BPUTZDHNSA-N 1 2 364.515 2.154 20 30 FEEDLO C[C@@H](NC(=S)N[NH+]=Cc1ccc(N2CCOCC2)c(F)c1)C1CC1 ZINC000751531436 680185523 /nfs/dbraw/zinc/18/55/23/680185523.db2.gz KNXVXXMJKVCDGK-GFCCVEGCSA-N 1 2 350.463 2.259 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1C[NH+](Cc2cccc(F)c2F)C1 ZINC001031680128 680405891 /nfs/dbraw/zinc/40/58/91/680405891.db2.gz UROJSUJTDRSMMH-WBVHZDCISA-N 1 2 350.409 2.494 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1C[NH+](Cc2cc(O)ccc2Cl)C1 ZINC001031988034 680410373 /nfs/dbraw/zinc/41/03/73/680410373.db2.gz IRYLTQVMODFGST-WBVHZDCISA-N 1 2 350.846 2.185 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](CC(=C)Br)C1 ZINC001033093664 680417247 /nfs/dbraw/zinc/41/72/47/680417247.db2.gz VPNYEXPCCUIOLV-KFWWJZLASA-N 1 2 357.292 2.409 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CC(=C)Br)C1 ZINC001033093664 680417250 /nfs/dbraw/zinc/41/72/50/680417250.db2.gz VPNYEXPCCUIOLV-KFWWJZLASA-N 1 2 357.292 2.409 20 30 FEEDLO C=C(Br)C[N@H+]1CC[C@H](N(C)C(=O)[C@]23CCC[C@H]2OCC3)C1 ZINC001033262990 680421012 /nfs/dbraw/zinc/42/10/12/680421012.db2.gz USZSZPRSWRUSOS-LZWOXQAQSA-N 1 2 357.292 2.387 20 30 FEEDLO C=C(Br)C[N@@H+]1CC[C@H](N(C)C(=O)[C@]23CCC[C@H]2OCC3)C1 ZINC001033262990 680421015 /nfs/dbraw/zinc/42/10/15/680421015.db2.gz USZSZPRSWRUSOS-LZWOXQAQSA-N 1 2 357.292 2.387 20 30 FEEDLO C=C(Br)CN1CCC(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001003654779 680538437 /nfs/dbraw/zinc/53/84/37/680538437.db2.gz YAISLYLQETVJNC-ZIAGYGMSSA-N 1 2 367.291 2.013 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CC[NH+](Cc2csnc2OC)CC1 ZINC001006021878 680590375 /nfs/dbraw/zinc/59/03/75/680590375.db2.gz IDBBDYDTNQRHDI-CVEARBPZSA-N 1 2 365.499 2.166 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC1(C)CC[NH+](Cc2nnc(C)s2)CC1 ZINC001045442618 680629613 /nfs/dbraw/zinc/62/96/13/680629613.db2.gz KAQIBXLWVGBGRL-CABCVRRESA-N 1 2 364.515 2.298 20 30 FEEDLO C=C(Br)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2C[C@H]2c2cnn(C)c2)C1 ZINC001046641824 680652847 /nfs/dbraw/zinc/65/28/47/680652847.db2.gz XEQIQACVUHWBTM-LZWOXQAQSA-N 1 2 367.291 2.013 20 30 FEEDLO C=C(Br)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2C[C@H]2c2cnn(C)c2)C1 ZINC001046641824 680652849 /nfs/dbraw/zinc/65/28/49/680652849.db2.gz XEQIQACVUHWBTM-LZWOXQAQSA-N 1 2 367.291 2.013 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccns2)CCC1(F)F ZINC001046973796 680655052 /nfs/dbraw/zinc/65/50/52/680655052.db2.gz WGXJKQXNQCUYHC-YUELXQCFSA-N 1 2 371.453 2.308 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccns2)CCC1(F)F ZINC001046973796 680655053 /nfs/dbraw/zinc/65/50/53/680655053.db2.gz WGXJKQXNQCUYHC-YUELXQCFSA-N 1 2 371.453 2.308 20 30 FEEDLO C[C@H](O)CN(C)[NH+]=Cc1cc(Br)cc(Br)c1N ZINC000841652610 680904813 /nfs/dbraw/zinc/90/48/13/680904813.db2.gz YAJWJRNLUOGTMG-ZETCQYMHSA-N 1 2 365.069 2.440 20 30 FEEDLO C=CCn1c(=O)c2ccc(-c3nc([C@H]4CCC[NH2+]4)no3)cc2[nH]c1=S ZINC000842646202 680956990 /nfs/dbraw/zinc/95/69/90/680956990.db2.gz PRZFFYHFAZSROP-GFCCVEGCSA-N 1 2 355.423 2.346 20 30 FEEDLO Cc1cc(C)c2ncc(C#N)c(N3CC[NH+](CC[S@@](C)=O)CC3)c2c1 ZINC000771148721 681044006 /nfs/dbraw/zinc/04/40/06/681044006.db2.gz XXWVNCUZSJQQGV-RUZDIDTESA-N 1 2 356.495 2.224 20 30 FEEDLO CCO[C@@H]1C[N@H+](C[C@H](C#N)CCC#N)C[C@H]1CNC(=O)OC(C)(C)C ZINC000844410729 681057473 /nfs/dbraw/zinc/05/74/73/681057473.db2.gz UWVOAVBHBKRAKI-ARFHVFGLSA-N 1 2 350.463 2.292 20 30 FEEDLO CCO[C@@H]1C[N@@H+](C[C@H](C#N)CCC#N)C[C@H]1CNC(=O)OC(C)(C)C ZINC000844410729 681057474 /nfs/dbraw/zinc/05/74/74/681057474.db2.gz UWVOAVBHBKRAKI-ARFHVFGLSA-N 1 2 350.463 2.292 20 30 FEEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CC=CC[C@H]1C(F)(F)F)CO2 ZINC001053847453 681104439 /nfs/dbraw/zinc/10/44/39/681104439.db2.gz FJJSTXOROKBWTF-RBSFLKMASA-N 1 2 356.388 2.114 20 30 FEEDLO Cc1nsc(NC[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@H]2C)c1C#N ZINC001054422021 681108328 /nfs/dbraw/zinc/10/83/28/681108328.db2.gz ODWQVEWIMHINAZ-ZWNOBZJWSA-N 1 2 358.471 2.104 20 30 FEEDLO C#C[C@H](NC(=O)N1CC[NH+](Cc2ccc(CC)s2)CC1)[C@@H]1CCCO1 ZINC000773556506 681148123 /nfs/dbraw/zinc/14/81/23/681148123.db2.gz DFHIUJPFNYSJNW-ROUUACIJSA-N 1 2 361.511 2.319 20 30 FEEDLO CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000773978930 681163142 /nfs/dbraw/zinc/16/31/42/681163142.db2.gz DPQOMGTXFMFBSZ-KBPBESRZSA-N 1 2 361.467 2.170 20 30 FEEDLO CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000773978930 681163144 /nfs/dbraw/zinc/16/31/44/681163144.db2.gz DPQOMGTXFMFBSZ-KBPBESRZSA-N 1 2 361.467 2.170 20 30 FEEDLO N#C[C@H]1CCC[N@@H+](CCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)C1 ZINC000932156015 681185098 /nfs/dbraw/zinc/18/50/98/681185098.db2.gz TXYSIHNNVKZRDC-GFCCVEGCSA-N 1 2 360.483 2.290 20 30 FEEDLO N#C[C@H]1CCC[N@H+](CCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)C1 ZINC000932156015 681185103 /nfs/dbraw/zinc/18/51/03/681185103.db2.gz TXYSIHNNVKZRDC-GFCCVEGCSA-N 1 2 360.483 2.290 20 30 FEEDLO Cc1cc(Br)cc2c1NC(=O)C2=NNCCCn1cc[nH+]c1 ZINC000848418354 681537175 /nfs/dbraw/zinc/53/71/75/681537175.db2.gz IORJKQQJTPHEAC-UHFFFAOYSA-N 1 2 362.231 2.290 20 30 FEEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CC[C@@H](Cc3nccs3)C2)c1 ZINC000934333129 681553356 /nfs/dbraw/zinc/55/33/56/681553356.db2.gz MSQJBMOHYWIIGN-HNNXBMFYSA-N 1 2 361.492 2.353 20 30 FEEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CC[C@@H](Cc3nccs3)C2)c1 ZINC000934333129 681553357 /nfs/dbraw/zinc/55/33/57/681553357.db2.gz MSQJBMOHYWIIGN-HNNXBMFYSA-N 1 2 361.492 2.353 20 30 FEEDLO C#CCCCCCC(=O)N1CC[N@@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000780649956 681857257 /nfs/dbraw/zinc/85/72/57/681857257.db2.gz RYZLBRJAHITFMF-INIZCTEOSA-N 1 2 351.491 2.237 20 30 FEEDLO C#CCCCCCC(=O)N1CC[N@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000780649956 681857263 /nfs/dbraw/zinc/85/72/63/681857263.db2.gz RYZLBRJAHITFMF-INIZCTEOSA-N 1 2 351.491 2.237 20 30 FEEDLO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1CC[NH2+]C[C@H]1C(F)F ZINC000850588282 681919855 /nfs/dbraw/zinc/91/98/55/681919855.db2.gz ZFCDYFUHAVEVMX-LBPRGKRZSA-N 1 2 371.434 2.309 20 30 FEEDLO Cc1cc(C#N)cc(C)c1CS(=O)(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000914295108 685502789 /nfs/dbraw/zinc/50/27/89/685502789.db2.gz NRIOKYNNHYYLQJ-INIZCTEOSA-N 1 2 358.467 2.228 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1csnc1OC ZINC000960880830 682068343 /nfs/dbraw/zinc/06/83/43/682068343.db2.gz DRCSPCGULTWUOF-OAGGEKHMSA-N 1 2 365.499 2.166 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1csnc1OC ZINC000960880830 682068350 /nfs/dbraw/zinc/06/83/50/682068350.db2.gz DRCSPCGULTWUOF-OAGGEKHMSA-N 1 2 365.499 2.166 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC1CC(C[NH2+]Cc2nnsc2Cl)C1 ZINC000961851959 682102368 /nfs/dbraw/zinc/10/23/68/682102368.db2.gz ADFYINYXDJTGSZ-YZVRNYIASA-N 1 2 370.906 2.157 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](Cc2cc(F)cc(F)c2)C1 ZINC000970446479 682298575 /nfs/dbraw/zinc/29/85/75/682298575.db2.gz FMWXSNBADBGUIN-RZAIGCCYSA-N 1 2 350.409 2.492 20 30 FEEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C1 ZINC000852759525 682337791 /nfs/dbraw/zinc/33/77/91/682337791.db2.gz QEXOUUKDWVMBIJ-MCIONIFRSA-N 1 2 363.424 2.188 20 30 FEEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C1 ZINC000852759525 682337796 /nfs/dbraw/zinc/33/77/96/682337796.db2.gz QEXOUUKDWVMBIJ-MCIONIFRSA-N 1 2 363.424 2.188 20 30 FEEDLO C[N@H+](CC(=O)[C@@H](C#N)C(=O)NCc1cccc(Cl)c1)[C@H]1CCSC1 ZINC000786533179 682384322 /nfs/dbraw/zinc/38/43/22/682384322.db2.gz DWEOBMRZORXFLC-LSDHHAIUSA-N 1 2 365.886 2.102 20 30 FEEDLO C[N@@H+](CC(=O)[C@@H](C#N)C(=O)NCc1cccc(Cl)c1)[C@H]1CCSC1 ZINC000786533179 682384326 /nfs/dbraw/zinc/38/43/26/682384326.db2.gz DWEOBMRZORXFLC-LSDHHAIUSA-N 1 2 365.886 2.102 20 30 FEEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1c1cc(Br)cnc1C#N ZINC000853616345 682445630 /nfs/dbraw/zinc/44/56/30/682445630.db2.gz TXNJFOSXYVNQBS-YPMHNXCESA-N 1 2 351.248 2.015 20 30 FEEDLO CC(C)(C)OC(=O)N1CCO[C@H](CO[NH+]=C(N)c2ccc(F)cc2)C1 ZINC000853645860 682451507 /nfs/dbraw/zinc/45/15/07/682451507.db2.gz HDVRGECXOMLGSI-AWEZNQCLSA-N 1 2 353.394 2.099 20 30 FEEDLO C[C@@H](C#N)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC000787669231 682471534 /nfs/dbraw/zinc/47/15/34/682471534.db2.gz LEJPJXYZFPVRNX-NSHDSACASA-N 1 2 351.248 2.299 20 30 FEEDLO C#CCn1ccc(C[N@H+](CCOC)C[C@H](O)c2ccc(Cl)c(F)c2)n1 ZINC000789323841 682593584 /nfs/dbraw/zinc/59/35/84/682593584.db2.gz USSWNKYHQVWFKL-SFHVURJKSA-N 1 2 365.836 2.491 20 30 FEEDLO C#CCn1ccc(C[N@@H+](CCOC)C[C@H](O)c2ccc(Cl)c(F)c2)n1 ZINC000789323841 682593585 /nfs/dbraw/zinc/59/35/85/682593585.db2.gz USSWNKYHQVWFKL-SFHVURJKSA-N 1 2 365.836 2.491 20 30 FEEDLO CC[C@@H]([NH2+]C[C@@H]1CCCCN1S(C)(=O)=O)c1cccc(C#N)c1O ZINC000926415634 683122860 /nfs/dbraw/zinc/12/28/60/683122860.db2.gz ULYJLKICUJENNW-GOEBONIOSA-N 1 2 351.472 2.119 20 30 FEEDLO C[NH+](C)Cc1csc(CNS(=O)(=O)c2ccc(C#N)c(Cl)c2)n1 ZINC000921105519 683398227 /nfs/dbraw/zinc/39/82/27/683398227.db2.gz UZHRBSMWWIEANN-UHFFFAOYSA-N 1 2 370.887 2.208 20 30 FEEDLO C=CCN1CC[C@@H]([N@H+]2CCN(C(=O)OC(C)(C)C)C[C@H]2CCC)C1=O ZINC000799163722 683431136 /nfs/dbraw/zinc/43/11/36/683431136.db2.gz MZPLJPNVLQKKGU-HZPDHXFCSA-N 1 2 351.491 2.495 20 30 FEEDLO C=CCN1CC[C@@H]([N@@H+]2CCN(C(=O)OC(C)(C)C)C[C@H]2CCC)C1=O ZINC000799163722 683431137 /nfs/dbraw/zinc/43/11/37/683431137.db2.gz MZPLJPNVLQKKGU-HZPDHXFCSA-N 1 2 351.491 2.495 20 30 FEEDLO C#CCOc1ccc(CNC(=O)NCc2nc(C[NH+](C)C)cs2)cc1 ZINC000922730303 683774323 /nfs/dbraw/zinc/77/43/23/683774323.db2.gz QFKQVMZFTRZNOQ-UHFFFAOYSA-N 1 2 358.467 2.216 20 30 FEEDLO N#C[C@H](NC(=O)/C=C/C[NH+]1CCOCC1)c1cccc(Br)c1 ZINC000865079029 683932733 /nfs/dbraw/zinc/93/27/33/683932733.db2.gz ZZJKHAWLSCJXME-IJJSQOHJSA-N 1 2 364.243 2.018 20 30 FEEDLO N#Cc1cc(F)cc(S(=O)(=O)NCc2cc[nH+]c(N3CCCC3)c2)c1 ZINC000866451826 684106381 /nfs/dbraw/zinc/10/63/81/684106381.db2.gz ZEVCYFVVVZZTEQ-UHFFFAOYSA-N 1 2 360.414 2.171 20 30 FEEDLO C[NH+](C)Cc1csc(CNC(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)n1 ZINC000923944129 684373101 /nfs/dbraw/zinc/37/31/01/684373101.db2.gz VHFSRKZDEOVWPH-OAHLLOKOSA-N 1 2 355.467 2.043 20 30 FEEDLO C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCn2c[nH+]cc2C1 ZINC000868444883 684495514 /nfs/dbraw/zinc/49/55/14/684495514.db2.gz IFFVLAMADGNTRW-CYBMUJFWSA-N 1 2 354.838 2.261 20 30 FEEDLO C=CCSc1ccccc1NC(=O)C[NH+]1CCC([C@H](F)C(N)=O)CC1 ZINC000879047080 686725558 /nfs/dbraw/zinc/72/55/58/686725558.db2.gz KVRUSGYESYPLSM-KRWDZBQOSA-N 1 2 365.474 2.439 20 30 FEEDLO C[C@H]1C[N@H+](CC(=O)NCc2ccc(C#N)cc2)CC[C@@H](C(F)(F)F)O1 ZINC000880061386 686990966 /nfs/dbraw/zinc/99/09/66/686990966.db2.gz UHCFXJIVLZKOBS-WFASDCNBSA-N 1 2 355.360 2.216 20 30 FEEDLO C[C@H]1C[N@@H+](CC(=O)NCc2ccc(C#N)cc2)CC[C@@H](C(F)(F)F)O1 ZINC000880061386 686990970 /nfs/dbraw/zinc/99/09/70/686990970.db2.gz UHCFXJIVLZKOBS-WFASDCNBSA-N 1 2 355.360 2.216 20 30 FEEDLO Cc1nc(C#N)cc(N2CC[NH+]([C@@H](CO)c3ccc(Cl)cc3)CC2)n1 ZINC000881975933 687275666 /nfs/dbraw/zinc/27/56/66/687275666.db2.gz RXRJPGUETKLXFG-KRWDZBQOSA-N 1 2 357.845 2.166 20 30 FEEDLO CSc1ccc(CNC(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)cc1C#N ZINC000884161508 687804746 /nfs/dbraw/zinc/80/47/46/687804746.db2.gz HTDXDTORJJAOOX-KGLIPLIRSA-N 1 2 362.499 2.189 20 30 FEEDLO N#CCCc1ccc(S(=O)(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000885075257 688011515 /nfs/dbraw/zinc/01/15/15/688011515.db2.gz XEMVQRQBUAKPRK-INIZCTEOSA-N 1 2 356.451 2.095 20 30 FEEDLO C=CCC1(O)CC[NH+](CC(=O)Nc2sc(C)c(C)c2C(=O)OC)CC1 ZINC000886768780 688305400 /nfs/dbraw/zinc/30/54/00/688305400.db2.gz IAVSDQVAJZIEMK-UHFFFAOYSA-N 1 2 366.483 2.493 20 30 FEEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccccc2SC(F)F)C1 ZINC000891606681 689083261 /nfs/dbraw/zinc/08/32/61/689083261.db2.gz OSUYYWWKMPSBEO-GFCCVEGCSA-N 1 2 367.421 2.154 20 30 FEEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccccc2SC(F)F)C1 ZINC000891606681 689083264 /nfs/dbraw/zinc/08/32/64/689083264.db2.gz OSUYYWWKMPSBEO-GFCCVEGCSA-N 1 2 367.421 2.154 20 30 FEEDLO C=CCOc1cc(C)nc(N2CCC3(CC2)c2[nH+]cc(C)n2CCN3C)n1 ZINC001164917976 721815975 /nfs/dbraw/zinc/81/59/75/721815975.db2.gz SQWIAJIOAMJQSZ-UHFFFAOYSA-N 1 2 368.485 2.296 20 30 FEEDLO CN(Cc1[nH+]ccn1C)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 ZINC000513087785 538985447 /nfs/dbraw/zinc/98/54/47/538985447.db2.gz GGSFGBXKSRKQIJ-UHFFFAOYSA-N 1 2 353.361 2.280 20 30 FEEDLO C=CCNC(=O)C[N@H+]1CCC[C@H]1C(=O)Nc1ccc(Br)cc1 ZINC000026944224 539798017 /nfs/dbraw/zinc/79/80/17/539798017.db2.gz HWCCPDWPNJSMAA-AWEZNQCLSA-N 1 2 366.259 2.154 20 30 FEEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(Br)cc1 ZINC000026944224 539798020 /nfs/dbraw/zinc/79/80/20/539798020.db2.gz HWCCPDWPNJSMAA-AWEZNQCLSA-N 1 2 366.259 2.154 20 30 FEEDLO C[C@@H](C(=O)N1CCc2ccccc21)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000029445307 539853770 /nfs/dbraw/zinc/85/37/70/539853770.db2.gz IPLNGLILNQYZCE-INIZCTEOSA-N 1 2 361.449 2.053 20 30 FEEDLO CCN(CC)C(=O)N1CC[NH+](CCC(=O)Nc2sccc2C#N)CC1 ZINC000029915962 539869266 /nfs/dbraw/zinc/86/92/66/539869266.db2.gz VQGFOPPUJCWTGY-UHFFFAOYSA-N 1 2 363.487 2.028 20 30 FEEDLO COc1cc(C#N)ccc1OC(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000043269225 540094735 /nfs/dbraw/zinc/09/47/35/540094735.db2.gz FJMNMDRSAPIJLF-UHFFFAOYSA-N 1 2 354.410 2.118 20 30 FEEDLO COc1cc(C#N)ccc1OC(=O)C1CCN(Cc2[nH+]ccn2C)CC1 ZINC000043269225 540094737 /nfs/dbraw/zinc/09/47/37/540094737.db2.gz FJMNMDRSAPIJLF-UHFFFAOYSA-N 1 2 354.410 2.118 20 30 FEEDLO C[C@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000043329560 540097392 /nfs/dbraw/zinc/09/73/92/540097392.db2.gz YUVJMSBJGSZYMS-INIZCTEOSA-N 1 2 369.469 2.109 20 30 FEEDLO C[C@H]1CCCC[C@H]1NC(=O)CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000045314525 540209765 /nfs/dbraw/zinc/20/97/65/540209765.db2.gz ZOPZVVQKHXAMOM-FXAWDEMLSA-N 1 2 354.498 2.371 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000045334295 540210002 /nfs/dbraw/zinc/21/00/02/540210002.db2.gz RXZXQMGYFQQJCE-DYESRHJHSA-N 1 2 367.497 2.119 20 30 FEEDLO C[C@H]1CN(c2ccc(CNC(=O)CCc3ccc(C#N)cc3)c[nH+]2)CCO1 ZINC000046719151 540268263 /nfs/dbraw/zinc/26/82/63/540268263.db2.gz YOHZNPVPNSNAFH-INIZCTEOSA-N 1 2 364.449 2.427 20 30 FEEDLO C=CCN(CC=C)C(=O)C[NH+]1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC000052723761 540485008 /nfs/dbraw/zinc/48/50/08/540485008.db2.gz GZWHSATVWFVRLY-UHFFFAOYSA-N 1 2 354.454 2.167 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)N2CC[NH+](CC3CC3)CC2)c(C(F)(F)F)c1 ZINC000055268908 540641822 /nfs/dbraw/zinc/64/18/22/540641822.db2.gz HCMNHOOXPZAFIV-UHFFFAOYSA-N 1 2 373.400 2.293 20 30 FEEDLO N#Cc1ccccc1S(=O)(=O)N1CC[NH+](CCCc2ccccc2)CC1 ZINC000058339144 540839815 /nfs/dbraw/zinc/83/98/15/540839815.db2.gz LHPZZOJGDSHTRT-UHFFFAOYSA-N 1 2 369.490 2.497 20 30 FEEDLO Cc1ccc(C#N)cc1NC(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000058452984 540843573 /nfs/dbraw/zinc/84/35/73/540843573.db2.gz YHTPWWVPBCTLCF-UHFFFAOYSA-N 1 2 351.410 2.420 20 30 FEEDLO C[C@@H](Oc1cccc(Cl)c1)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000060794198 541121728 /nfs/dbraw/zinc/12/17/28/541121728.db2.gz TURYGCKMRAFSDY-OAHLLOKOSA-N 1 2 365.861 2.182 20 30 FEEDLO CCOc1ccccc1NC(=O)CO[NH+]=C(N)c1ccc(OC)c(OC)c1 ZINC000060552664 541116953 /nfs/dbraw/zinc/11/69/53/541116953.db2.gz UWXPILSYVDMNEV-UHFFFAOYSA-N 1 2 373.409 2.378 20 30 FEEDLO COc1ccccc1[C@@H](C)NC(=O)CO[NH+]=C(N)Cc1csc(C)n1 ZINC000063456823 541168719 /nfs/dbraw/zinc/16/87/19/541168719.db2.gz LWVQZKSGTGULJS-LLVKDONJSA-N 1 2 362.455 2.169 20 30 FEEDLO COC(=O)[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000066833360 541377567 /nfs/dbraw/zinc/37/75/67/541377567.db2.gz IGNDQGCZYYTEDK-NEPJUHHUSA-N 1 2 361.467 2.320 20 30 FEEDLO COC(=O)[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000066833360 541377569 /nfs/dbraw/zinc/37/75/69/541377569.db2.gz IGNDQGCZYYTEDK-NEPJUHHUSA-N 1 2 361.467 2.320 20 30 FEEDLO Cc1ccc(C#N)cc1NC(=O)C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000069122455 541659679 /nfs/dbraw/zinc/65/96/79/541659679.db2.gz CEQLWGTWGNNAQV-UHFFFAOYSA-N 1 2 367.796 2.423 20 30 FEEDLO N#Cc1ccccc1OCC(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000071807116 541772953 /nfs/dbraw/zinc/77/29/53/541772953.db2.gz APRHHTSPUSGDQP-LJQANCHMSA-N 1 2 365.433 2.127 20 30 FEEDLO Cc1nc(NCc2cccc(C(=O)NC3(C#N)CCOCC3)c2)cc[nH+]1 ZINC000544562944 541788811 /nfs/dbraw/zinc/78/88/11/541788811.db2.gz UYYWQNVGZFIJCE-UHFFFAOYSA-N 1 2 351.410 2.200 20 30 FEEDLO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](CCC#N)CCC(C)C)cc2=O ZINC000072692304 541852719 /nfs/dbraw/zinc/85/27/19/541852719.db2.gz KBVAPIGCVGPUFQ-UHFFFAOYSA-N 1 2 359.430 2.373 20 30 FEEDLO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+](CCC#N)CCC(C)C)cc2=O ZINC000072692304 541852722 /nfs/dbraw/zinc/85/27/22/541852722.db2.gz KBVAPIGCVGPUFQ-UHFFFAOYSA-N 1 2 359.430 2.373 20 30 FEEDLO CN(Cc1[nH+]ccn1Cc1ccccc1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000072774619 541863114 /nfs/dbraw/zinc/86/31/14/541863114.db2.gz INPFSFFDBUTROE-FQEVSTJZSA-N 1 2 359.433 2.461 20 30 FEEDLO N#Cc1ccc(OCCNC(=O)NCc2ccnc(-n3cc[nH+]c3)c2)cc1 ZINC000073964369 542019206 /nfs/dbraw/zinc/01/92/06/542019206.db2.gz TXXVHOQTAJFPTB-UHFFFAOYSA-N 1 2 362.393 2.017 20 30 FEEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000075636654 542194959 /nfs/dbraw/zinc/19/49/59/542194959.db2.gz MLRPBYKFVRNQLJ-INIZCTEOSA-N 1 2 361.461 2.397 20 30 FEEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN(c2nc(CC)ns2)CC1 ZINC000076063540 542228784 /nfs/dbraw/zinc/22/87/84/542228784.db2.gz LKRUTMVZIWEBKU-CQSZACIVSA-N 1 2 351.520 2.036 20 30 FEEDLO N#Cc1ccnc(SCC(=O)N2CC[NH+](Cc3ccsc3)CC2)c1 ZINC000077244060 542358812 /nfs/dbraw/zinc/35/88/12/542358812.db2.gz SWTCNBYHVPCTOF-UHFFFAOYSA-N 1 2 358.492 2.451 20 30 FEEDLO CO[C@H](C)c1cccc(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000078543254 542466971 /nfs/dbraw/zinc/46/69/71/542466971.db2.gz YSZALGVRXAOCIA-MRXNPFEDSA-N 1 2 360.458 2.474 20 30 FEEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC)CC1 ZINC000801869823 674153358 /nfs/dbraw/zinc/15/33/58/674153358.db2.gz JSNQMMNKXIIWTC-UHFFFAOYSA-N 1 2 359.861 2.382 20 30 FEEDLO Cc1ccc(-c2nnc(CN(CCC#N)CC[NH+]3CCOCC3)o2)cc1 ZINC000081158077 542636782 /nfs/dbraw/zinc/63/67/82/542636782.db2.gz DJELGSXIQAWPJZ-UHFFFAOYSA-N 1 2 355.442 2.093 20 30 FEEDLO N#Cc1ccc(Cl)c(NC(=O)C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000088783494 542757372 /nfs/dbraw/zinc/75/73/72/542757372.db2.gz DYEKIAQPXYRWPY-LBPRGKRZSA-N 1 2 357.801 2.279 20 30 FEEDLO COc1ccc(C[N@H+](C)[C@H](C)CS(C)(=O)=O)cc1OCCCC#N ZINC000093385005 542929988 /nfs/dbraw/zinc/92/99/88/542929988.db2.gz YQKWVIYZQQEFDT-CQSZACIVSA-N 1 2 354.472 2.243 20 30 FEEDLO COc1ccc(C[N@@H+](C)[C@H](C)CS(C)(=O)=O)cc1OCCCC#N ZINC000093385005 542929990 /nfs/dbraw/zinc/92/99/90/542929990.db2.gz YQKWVIYZQQEFDT-CQSZACIVSA-N 1 2 354.472 2.243 20 30 FEEDLO COc1cccc(CNC(=O)C[NH+]2CCN(c3ccccc3C#N)CC2)c1 ZINC000101554766 543032266 /nfs/dbraw/zinc/03/22/66/543032266.db2.gz RCUMIPAFLQDALC-UHFFFAOYSA-N 1 2 364.449 2.005 20 30 FEEDLO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(Cc2ccc(C#N)cc2F)CC1 ZINC000103491926 543111729 /nfs/dbraw/zinc/11/17/29/543111729.db2.gz NSRNSNWLQAPEPO-OAHLLOKOSA-N 1 2 358.461 2.262 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Cc1ccccc1C(F)(F)F ZINC000104348388 543129520 /nfs/dbraw/zinc/12/95/20/543129520.db2.gz ZIRAWSRFWLNUAT-UHFFFAOYSA-N 1 2 369.387 2.322 20 30 FEEDLO CSc1nc(C2CC2)cc(C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)c1C#N ZINC000104594055 543135479 /nfs/dbraw/zinc/13/54/79/543135479.db2.gz JAZFNEAAPQWSOA-QWHCGFSZSA-N 1 2 374.510 2.392 20 30 FEEDLO C[C@@](C#N)(NC(=O)C[NH+]1CCC(Oc2cccc(C#N)c2)CC1)C1CC1 ZINC000104715741 543138354 /nfs/dbraw/zinc/13/83/54/543138354.db2.gz IMLOFAFBPORCIO-FQEVSTJZSA-N 1 2 352.438 2.210 20 30 FEEDLO CN(CC[NH+]1CCOCC1)C(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000105101719 543158488 /nfs/dbraw/zinc/15/84/88/543158488.db2.gz JARWJCLKQDPYHI-UHFFFAOYSA-N 1 2 369.387 2.031 20 30 FEEDLO C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000106580567 543239867 /nfs/dbraw/zinc/23/98/67/543239867.db2.gz HJVJBIQLOMMLDR-KRWDZBQOSA-N 1 2 360.502 2.029 20 30 FEEDLO C=CC[N@@H+](C[C@@H](O)COc1c(C)ccc(C)c1C)[C@@H]1CCS(=O)(=O)C1 ZINC000108870932 543306794 /nfs/dbraw/zinc/30/67/94/543306794.db2.gz FVKKUSNHWZCALC-QZTJIDSGSA-N 1 2 367.511 2.027 20 30 FEEDLO C=CC[N@H+](C[C@@H](O)COc1c(C)ccc(C)c1C)[C@@H]1CCS(=O)(=O)C1 ZINC000108870932 543306795 /nfs/dbraw/zinc/30/67/95/543306795.db2.gz FVKKUSNHWZCALC-QZTJIDSGSA-N 1 2 367.511 2.027 20 30 FEEDLO N#CCCN(C(=O)C[N@@H+]1CCC[C@@H](N2CCCC2=O)C1)c1ccccc1 ZINC000111295763 543395060 /nfs/dbraw/zinc/39/50/60/543395060.db2.gz CZHJUQIXBKBPEY-GOSISDBHSA-N 1 2 354.454 2.020 20 30 FEEDLO N#CCCN(C(=O)C[N@H+]1CCC[C@@H](N2CCCC2=O)C1)c1ccccc1 ZINC000111295763 543395063 /nfs/dbraw/zinc/39/50/63/543395063.db2.gz CZHJUQIXBKBPEY-GOSISDBHSA-N 1 2 354.454 2.020 20 30 FEEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN(CC(F)(F)C(F)F)CC1 ZINC000114492043 543521457 /nfs/dbraw/zinc/52/14/57/543521457.db2.gz LDRXGXQDHAZPLE-ZDUSSCGKSA-N 1 2 353.404 2.318 20 30 FEEDLO N#Cc1ccc(OC[C@H](O)CN2CC[NH+](Cc3ccsc3)CC2)cc1 ZINC000115300498 543558834 /nfs/dbraw/zinc/55/88/34/543558834.db2.gz HTRHRYCDAHVPRH-GOSISDBHSA-N 1 2 357.479 2.177 20 30 FEEDLO CCN(CC)C(=O)c1ccc(C[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)cc1 ZINC000115596820 543576989 /nfs/dbraw/zinc/57/69/89/543576989.db2.gz GLVJJGABVFMHDM-IBGZPJMESA-N 1 2 364.449 2.356 20 30 FEEDLO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1C#N)c1nnnn1-c1ccccc1 ZINC000115604742 543578448 /nfs/dbraw/zinc/57/84/48/543578448.db2.gz TVLVGBBHSDGGFO-KGLIPLIRSA-N 1 2 361.409 2.212 20 30 FEEDLO C[C@H](c1cccnc1)[NH+]1CCN(CC(=O)NC2(C#N)CCCCC2)CC1 ZINC000120463602 543680337 /nfs/dbraw/zinc/68/03/37/543680337.db2.gz OPMQVXNMGORCGK-QGZVFWFLSA-N 1 2 355.486 2.103 20 30 FEEDLO CCC(=O)N1CCC[N@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)CC1 ZINC000122750574 543721388 /nfs/dbraw/zinc/72/13/88/543721388.db2.gz WFXWJDHNFJJMRB-UHFFFAOYSA-N 1 2 370.497 2.494 20 30 FEEDLO CCC(=O)N1CCC[N@@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)CC1 ZINC000122750574 543721390 /nfs/dbraw/zinc/72/13/90/543721390.db2.gz WFXWJDHNFJJMRB-UHFFFAOYSA-N 1 2 370.497 2.494 20 30 FEEDLO COc1cc(C[NH+]2CCN(c3ncccc3C#N)CC2)cc2c1OCCO2 ZINC000122921170 543731459 /nfs/dbraw/zinc/73/14/59/543731459.db2.gz VWTUIGKEQBFCPZ-UHFFFAOYSA-N 1 2 366.421 2.055 20 30 FEEDLO C[N@@H+]1CC[C@@H](NS(=O)(=O)CCCCC#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000122035891 543702611 /nfs/dbraw/zinc/70/26/11/543702611.db2.gz QXHNYWVNLUMBKK-CVEARBPZSA-N 1 2 357.426 2.323 20 30 FEEDLO C[N@H+]1CC[C@@H](NS(=O)(=O)CCCCC#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000122035891 543702613 /nfs/dbraw/zinc/70/26/13/543702613.db2.gz QXHNYWVNLUMBKK-CVEARBPZSA-N 1 2 357.426 2.323 20 30 FEEDLO Cc1cccn2cc(CCNS(=O)(=O)c3cccc(C)c3C#N)[nH+]c12 ZINC000124345664 543815642 /nfs/dbraw/zinc/81/56/42/543815642.db2.gz YVBJDEKSLGRAND-UHFFFAOYSA-N 1 2 354.435 2.344 20 30 FEEDLO C=CCC(CC=C)C(=O)NCc1ccc[nH+]c1N1CCC(C(N)=O)CC1 ZINC000130861742 544168154 /nfs/dbraw/zinc/16/81/54/544168154.db2.gz MZPSBKNDFIHPLD-UHFFFAOYSA-N 1 2 356.470 2.168 20 30 FEEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+](C)Cc1cccnc1 ZINC000132569723 544236420 /nfs/dbraw/zinc/23/64/20/544236420.db2.gz KPBDVHRBVKZNEX-UHFFFAOYSA-N 1 2 369.469 2.479 20 30 FEEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+](C)Cc1cccnc1 ZINC000132569723 544236423 /nfs/dbraw/zinc/23/64/23/544236423.db2.gz KPBDVHRBVKZNEX-UHFFFAOYSA-N 1 2 369.469 2.479 20 30 FEEDLO C=CCCS(=O)(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000133344194 544265860 /nfs/dbraw/zinc/26/58/60/544265860.db2.gz JZEBJPWKOVDMCY-JKSUJKDBSA-N 1 2 358.891 2.207 20 30 FEEDLO C=CCCS(=O)(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000133344194 544265862 /nfs/dbraw/zinc/26/58/62/544265862.db2.gz JZEBJPWKOVDMCY-JKSUJKDBSA-N 1 2 358.891 2.207 20 30 FEEDLO COc1ccc(CN2CC[NH+]([C@H](C)C(=O)NC3CCCC3)CC2)cc1C#N ZINC000135043452 544331829 /nfs/dbraw/zinc/33/18/29/544331829.db2.gz QMAAFSHORHASPP-MRXNPFEDSA-N 1 2 370.497 2.132 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)NCC[N@@H+]2CCc3ccccc3C2)c(F)c1 ZINC000151050275 544500013 /nfs/dbraw/zinc/50/00/13/544500013.db2.gz BHHXVNPBDUMZKO-UHFFFAOYSA-N 1 2 359.426 2.034 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)NCC[N@H+]2CCc3ccccc3C2)c(F)c1 ZINC000151050275 544500018 /nfs/dbraw/zinc/50/00/18/544500018.db2.gz BHHXVNPBDUMZKO-UHFFFAOYSA-N 1 2 359.426 2.034 20 30 FEEDLO Cc1oc(NC(=O)[C@H](C)N2CC[NH+](Cc3ccccn3)CC2)c(C#N)c1C ZINC000150292233 544462468 /nfs/dbraw/zinc/46/24/68/544462468.db2.gz JDKBFSCOMDJIES-HNNXBMFYSA-N 1 2 367.453 2.308 20 30 FEEDLO N#Cc1ccc(C(=O)N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)[nH]1 ZINC000151671193 544567555 /nfs/dbraw/zinc/56/75/55/544567555.db2.gz MWADXXOVPZUCTN-UHFFFAOYSA-N 1 2 358.829 2.377 20 30 FEEDLO N#Cc1ccc(NC(=O)CC[N@H+]2CCOC[C@H]2C[C@H](O)c2ccco2)cc1 ZINC000151727924 544573419 /nfs/dbraw/zinc/57/34/19/544573419.db2.gz NRBKEWLZQOKOKX-MSOLQXFVSA-N 1 2 369.421 2.304 20 30 FEEDLO N#Cc1ccc(NC(=O)CC[N@@H+]2CCOC[C@H]2C[C@H](O)c2ccco2)cc1 ZINC000151727924 544573426 /nfs/dbraw/zinc/57/34/26/544573426.db2.gz NRBKEWLZQOKOKX-MSOLQXFVSA-N 1 2 369.421 2.304 20 30 FEEDLO N#Cc1ccc(OC2CN(C(=O)N[C@H]3CCN(c4cccc[nH+]4)C3)C2)cc1 ZINC000153677693 544808374 /nfs/dbraw/zinc/80/83/74/544808374.db2.gz CLIFITITLHQGET-INIZCTEOSA-N 1 2 363.421 2.005 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)Nc2cccc(C[NH+]3CCSCC3)c2)cn1 ZINC000153951135 544844421 /nfs/dbraw/zinc/84/44/21/544844421.db2.gz DFWBORIEUKOJHA-UHFFFAOYSA-N 1 2 374.491 2.303 20 30 FEEDLO CC[C@]1(CO)CCC[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 ZINC000187631984 328036731 /nfs/dbraw/zinc/03/67/31/328036731.db2.gz BLHOJFWZKPCXRI-FQEVSTJZSA-N 1 2 367.453 2.167 20 30 FEEDLO CC[C@]1(CO)CCC[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 ZINC000187631984 328036733 /nfs/dbraw/zinc/03/67/33/328036733.db2.gz BLHOJFWZKPCXRI-FQEVSTJZSA-N 1 2 367.453 2.167 20 30 FEEDLO N#Cc1cc(C(=O)NCC[NH+]2CCN(c3cccc(Cl)c3)CC2)ccn1 ZINC000193578490 328383236 /nfs/dbraw/zinc/38/32/36/328383236.db2.gz SGYQAQYGHNKAQF-UHFFFAOYSA-N 1 2 369.856 2.159 20 30 FEEDLO CCCCNC(=O)[C@@H]1CCC[N@@H+]([C@H](C(=O)OC)c2cccc(C#N)c2)C1 ZINC000083189501 325216163 /nfs/dbraw/zinc/21/61/63/325216163.db2.gz FPVKOWHPTUCQCU-MSOLQXFVSA-N 1 2 357.454 2.401 20 30 FEEDLO CCCCNC(=O)[C@@H]1CCC[N@H+]([C@H](C(=O)OC)c2cccc(C#N)c2)C1 ZINC000083189501 325216167 /nfs/dbraw/zinc/21/61/67/325216167.db2.gz FPVKOWHPTUCQCU-MSOLQXFVSA-N 1 2 357.454 2.401 20 30 FEEDLO Cc1oc(NC(=O)C[NH+]2CCC(OC[C@H]3CCCO3)CC2)c(C#N)c1C ZINC000083405938 325217681 /nfs/dbraw/zinc/21/76/81/325217681.db2.gz SUKOLCKLRJQQGU-MRXNPFEDSA-N 1 2 361.442 2.367 20 30 FEEDLO N#Cc1ccccc1N1CC[NH+](CC(=O)NCc2ccc(F)cc2)CC1 ZINC000101554993 325471671 /nfs/dbraw/zinc/47/16/71/325471671.db2.gz RCECFDSLNKIQRG-UHFFFAOYSA-N 1 2 352.413 2.136 20 30 FEEDLO C[C@@H](C(=O)Nc1ncccn1)[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000104713689 325543082 /nfs/dbraw/zinc/54/30/82/325543082.db2.gz UMPKAXKNSWQTAP-AWEZNQCLSA-N 1 2 351.410 2.219 20 30 FEEDLO COc1cc(C#N)ccc1C[NH2+][C@@H](c1nc(-c2nc[nH]n2)no1)C(C)C ZINC000120777893 326287233 /nfs/dbraw/zinc/28/72/33/326287233.db2.gz DKMODEYHODBFHF-CQSZACIVSA-N 1 2 353.386 2.222 20 30 FEEDLO COc1ccc(CN2CC[NH+](Cc3ccc(C#N)o3)CC2)c(OC)c1OC ZINC000121069401 326311251 /nfs/dbraw/zinc/31/12/51/326311251.db2.gz NOSJTLPUBHXAJL-UHFFFAOYSA-N 1 2 371.437 2.495 20 30 FEEDLO COc1ccc(C[NH+]2CCN(Cc3ccc(C#N)o3)CC2)c(OC)c1OC ZINC000121069401 326311252 /nfs/dbraw/zinc/31/12/52/326311252.db2.gz NOSJTLPUBHXAJL-UHFFFAOYSA-N 1 2 371.437 2.495 20 30 FEEDLO COCCOc1ccccc1C[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000122954837 326415206 /nfs/dbraw/zinc/41/52/06/326415206.db2.gz GSIRDMWZNNZCOL-UHFFFAOYSA-N 1 2 352.438 2.301 20 30 FEEDLO N#Cc1ccc(N2CC[C@@H]([NH+]3CCC([C@@H](O)C(F)(F)F)CC3)C2=O)cc1 ZINC000141110012 326664730 /nfs/dbraw/zinc/66/47/30/326664730.db2.gz IRTUUWIARDNCTD-HZPDHXFCSA-N 1 2 367.371 2.299 20 30 FEEDLO CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000164526042 327071335 /nfs/dbraw/zinc/07/13/35/327071335.db2.gz SFLLNJZZRKWSLB-UHFFFAOYSA-N 1 2 364.449 2.455 20 30 FEEDLO N#Cc1ccc(N2CC[NH+](C[C@H]3CN(c4ccccc4)C(=O)O3)CC2)nc1 ZINC000172759937 327217516 /nfs/dbraw/zinc/21/75/16/327217516.db2.gz YVVPXRALTYKGJL-SFHVURJKSA-N 1 2 363.421 2.101 20 30 FEEDLO CCC(CC)[C@@H](C(=O)NCCOc1ccc(C#N)cc1)[NH+]1CCOCC1 ZINC000174158442 327309335 /nfs/dbraw/zinc/30/93/35/327309335.db2.gz ZVYVVVFAMNGNFT-IBGZPJMESA-N 1 2 359.470 2.190 20 30 FEEDLO CCC(CC)[C@H](C(=O)NCCOc1ccc(C#N)cc1)[NH+]1CCOCC1 ZINC000174158451 327309544 /nfs/dbraw/zinc/30/95/44/327309544.db2.gz ZVYVVVFAMNGNFT-LJQANCHMSA-N 1 2 359.470 2.190 20 30 FEEDLO N#Cc1ccc(OCCNC(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1 ZINC000174861392 327355943 /nfs/dbraw/zinc/35/59/43/327355943.db2.gz RQYGEXDILZHJLS-UHFFFAOYSA-N 1 2 365.437 2.432 20 30 FEEDLO CC(C)Cn1cc[nH+]c1CNC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000175129726 327375603 /nfs/dbraw/zinc/37/56/03/327375603.db2.gz BNWLATLPOFFVOR-UHFFFAOYSA-N 1 2 359.817 2.319 20 30 FEEDLO CC(C)N(C)C(=O)[C@@H](C)[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000177649066 327535516 /nfs/dbraw/zinc/53/55/16/327535516.db2.gz RGROQDJVBSHGIK-CQSZACIVSA-N 1 2 371.441 2.184 20 30 FEEDLO Cc1c(C#N)cccc1NC(=O)C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000178525301 327590518 /nfs/dbraw/zinc/59/05/18/327590518.db2.gz YNAFNRKEUMMIMO-GUYCJALGSA-N 1 2 351.410 2.111 20 30 FEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](CCNC(C)=O)Cc1ccc(C)s1 ZINC000554828997 674337956 /nfs/dbraw/zinc/33/79/56/674337956.db2.gz GCYQUIKCDYENGD-AWEZNQCLSA-N 1 2 364.515 2.003 20 30 FEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](CCNC(C)=O)Cc1ccc(C)s1 ZINC000554828997 674337957 /nfs/dbraw/zinc/33/79/57/674337957.db2.gz GCYQUIKCDYENGD-AWEZNQCLSA-N 1 2 364.515 2.003 20 30 FEEDLO Cc1c(C[N@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000155683247 545558440 /nfs/dbraw/zinc/55/84/40/545558440.db2.gz MOXPGIGOYHBHIA-ZDUSSCGKSA-N 1 2 352.398 2.276 20 30 FEEDLO Cc1c(C[N@@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000155683247 545558446 /nfs/dbraw/zinc/55/84/46/545558446.db2.gz MOXPGIGOYHBHIA-ZDUSSCGKSA-N 1 2 352.398 2.276 20 30 FEEDLO COc1ccc(OC)c(C[N@@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)c1 ZINC000155702549 545560003 /nfs/dbraw/zinc/56/00/03/545560003.db2.gz XACBBLNSCZVXNE-AWEZNQCLSA-N 1 2 353.426 2.076 20 30 FEEDLO COc1ccc(OC)c(C[N@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)c1 ZINC000155702549 545560008 /nfs/dbraw/zinc/56/00/08/545560008.db2.gz XACBBLNSCZVXNE-AWEZNQCLSA-N 1 2 353.426 2.076 20 30 FEEDLO Cn1cnnc1[C@@H]1CCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000157014921 545687855 /nfs/dbraw/zinc/68/78/55/545687855.db2.gz TWBRQABNZIVXIY-AWEZNQCLSA-N 1 2 370.482 2.403 20 30 FEEDLO Cn1cnnc1[C@@H]1CCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000157014921 545687861 /nfs/dbraw/zinc/68/78/61/545687861.db2.gz TWBRQABNZIVXIY-AWEZNQCLSA-N 1 2 370.482 2.403 20 30 FEEDLO C=CCc1cc(C[N@H+](C2CC2)[C@@H]2CCS(=O)(=O)C2)cc(OC)c1O ZINC000157028003 545689535 /nfs/dbraw/zinc/68/95/35/545689535.db2.gz AZVDMFOIRVKEQC-MRXNPFEDSA-N 1 2 351.468 2.281 20 30 FEEDLO C=CCc1cc(C[N@@H+](C2CC2)[C@@H]2CCS(=O)(=O)C2)cc(OC)c1O ZINC000157028003 545689539 /nfs/dbraw/zinc/68/95/39/545689539.db2.gz AZVDMFOIRVKEQC-MRXNPFEDSA-N 1 2 351.468 2.281 20 30 FEEDLO N#Cc1cccc(NCC(=O)N2CCC[N@H+](Cc3cscn3)CC2)c1 ZINC000157568780 545756262 /nfs/dbraw/zinc/75/62/62/545756262.db2.gz SNQPNCKMXUNIBU-UHFFFAOYSA-N 1 2 355.467 2.161 20 30 FEEDLO N#Cc1cccc(NCC(=O)N2CCC[N@@H+](Cc3cscn3)CC2)c1 ZINC000157568780 545756266 /nfs/dbraw/zinc/75/62/66/545756266.db2.gz SNQPNCKMXUNIBU-UHFFFAOYSA-N 1 2 355.467 2.161 20 30 FEEDLO CC(C)[NH+]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)CC1 ZINC000158768551 545894142 /nfs/dbraw/zinc/89/41/42/545894142.db2.gz BEOMOQDZMBITNV-UHFFFAOYSA-N 1 2 361.389 2.292 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Cc1coc2cc(F)ccc12 ZINC000478638003 561171555 /nfs/dbraw/zinc/17/15/55/561171555.db2.gz IHRMQARDZWRVEN-UHFFFAOYSA-N 1 2 359.401 2.189 20 30 FEEDLO N#CCCN(Cc1ccco1)C(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000164199140 546148612 /nfs/dbraw/zinc/14/86/12/546148612.db2.gz JSXPOSICUXFTOP-UHFFFAOYSA-N 1 2 363.377 2.346 20 30 FEEDLO Cc1cc[nH+]c(N2CCN(CC(=O)N(C)C3(C#N)CCCCC3)CC2)c1 ZINC000166388479 546155707 /nfs/dbraw/zinc/15/57/07/546155707.db2.gz CHTMXGYFNRFWEK-UHFFFAOYSA-N 1 2 355.486 2.197 20 30 FEEDLO C=CCC[NH+]1CCN(S(=O)(=O)c2ccc(OCC)c(OCC)c2)CC1 ZINC000172620196 546261230 /nfs/dbraw/zinc/26/12/30/546261230.db2.gz QXHCNJFHMHFTGT-UHFFFAOYSA-N 1 2 368.499 2.366 20 30 FEEDLO C#CC[NH+](CC#C)CC(=O)NCc1cccc(COCc2ccco2)c1 ZINC000174047494 546290851 /nfs/dbraw/zinc/29/08/51/546290851.db2.gz LQYDTVFAPUJCAK-UHFFFAOYSA-N 1 2 350.418 2.181 20 30 FEEDLO COc1cccc(-c2noc([C@H](C)[NH2+][C@H](C)C(=O)N(C)CCC#N)n2)c1 ZINC000174325126 546294808 /nfs/dbraw/zinc/29/48/08/546294808.db2.gz YYQWQGCWZPASKN-QWHCGFSZSA-N 1 2 357.414 2.156 20 30 FEEDLO COc1ccc([C@@H](C)CC(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1 ZINC000175970494 546382046 /nfs/dbraw/zinc/38/20/46/546382046.db2.gz PHZKILJTZDRJHB-KRWDZBQOSA-N 1 2 359.470 2.263 20 30 FEEDLO Cc1noc([C@@H]2CCC[N@@H+]([C@@H]3CCN(c4sccc4C#N)C3=O)C2)n1 ZINC000177018685 546525088 /nfs/dbraw/zinc/52/50/88/546525088.db2.gz IKXIZZLJCJGHLN-ZIAGYGMSSA-N 1 2 357.439 2.296 20 30 FEEDLO Cc1noc([C@@H]2CCC[N@H+]([C@@H]3CCN(c4sccc4C#N)C3=O)C2)n1 ZINC000177018685 546525092 /nfs/dbraw/zinc/52/50/92/546525092.db2.gz IKXIZZLJCJGHLN-ZIAGYGMSSA-N 1 2 357.439 2.296 20 30 FEEDLO CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCN(c2cc(F)ccc2F)CC1 ZINC000177632511 546657352 /nfs/dbraw/zinc/65/73/52/546657352.db2.gz LPDWXSYRQAKUKN-CQSZACIVSA-N 1 2 350.413 2.095 20 30 FEEDLO C=C(C)C[N@@H+](C)CC(=O)Nc1sc(C(=O)NC)c(C)c1C(=O)OCC ZINC000481269778 561229408 /nfs/dbraw/zinc/22/94/08/561229408.db2.gz OTQWVPOFIUMWQP-UHFFFAOYSA-N 1 2 367.471 2.039 20 30 FEEDLO C=C(C)C[N@H+](C)CC(=O)Nc1sc(C(=O)NC)c(C)c1C(=O)OCC ZINC000481269778 561229409 /nfs/dbraw/zinc/22/94/09/561229409.db2.gz OTQWVPOFIUMWQP-UHFFFAOYSA-N 1 2 367.471 2.039 20 30 FEEDLO Cc1c(C#N)cccc1NC(=O)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000178416289 546789199 /nfs/dbraw/zinc/78/91/99/546789199.db2.gz HOLXWNSPGAFLAY-UHFFFAOYSA-N 1 2 373.416 2.366 20 30 FEEDLO N#Cc1ccc2[nH+]cc(CN3CCN(C(=O)c4cccc(F)c4)CC3)n2c1 ZINC000179997467 547037587 /nfs/dbraw/zinc/03/75/87/547037587.db2.gz ZZWOAZOXMCMZKA-UHFFFAOYSA-N 1 2 363.396 2.303 20 30 FEEDLO Cc1cccn2cc(CNS(=O)(=O)c3c(F)cc(C#N)cc3F)[nH+]c12 ZINC000180257449 547074475 /nfs/dbraw/zinc/07/44/75/547074475.db2.gz XFCJODJHEIYQPO-UHFFFAOYSA-N 1 2 362.361 2.271 20 30 FEEDLO CCC(CC)n1nc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1C ZINC000180588045 547136613 /nfs/dbraw/zinc/13/66/13/547136613.db2.gz COYFBQBOLPKULV-UHFFFAOYSA-N 1 2 361.490 2.241 20 30 FEEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+](C)C[C@H](O)C(F)(F)F ZINC000181257513 547281158 /nfs/dbraw/zinc/28/11/58/547281158.db2.gz DYZDSXAJYTVMSN-RISCZKNCSA-N 1 2 361.339 2.316 20 30 FEEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+](C)C[C@H](O)C(F)(F)F ZINC000181257513 547281162 /nfs/dbraw/zinc/28/11/62/547281162.db2.gz DYZDSXAJYTVMSN-RISCZKNCSA-N 1 2 361.339 2.316 20 30 FEEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1CCC(=O)c1ccc(F)cc1 ZINC000182453843 547496555 /nfs/dbraw/zinc/49/65/55/547496555.db2.gz YJRIEAFJSSLCGJ-CQSZACIVSA-N 1 2 353.401 2.271 20 30 FEEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1CCC(=O)c1ccc(F)cc1 ZINC000182453843 547496559 /nfs/dbraw/zinc/49/65/59/547496559.db2.gz YJRIEAFJSSLCGJ-CQSZACIVSA-N 1 2 353.401 2.271 20 30 FEEDLO CNC(=O)[C@H]1C[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)CCO1 ZINC000182472209 547499324 /nfs/dbraw/zinc/49/93/24/547499324.db2.gz GRJQLOIQOHUNCH-HXUWFJFHSA-N 1 2 365.433 2.084 20 30 FEEDLO CNC(=O)[C@H]1C[N@@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)CCO1 ZINC000182472209 547499329 /nfs/dbraw/zinc/49/93/29/547499329.db2.gz GRJQLOIQOHUNCH-HXUWFJFHSA-N 1 2 365.433 2.084 20 30 FEEDLO CCOC(=O)[C@@]1(Cc2ccccc2)CCC[N@@H+]1CC(=O)N(CC)CCC#N ZINC000484301568 561295960 /nfs/dbraw/zinc/29/59/60/561295960.db2.gz VWMWEEFDORKHQY-NRFANRHFSA-N 1 2 371.481 2.389 20 30 FEEDLO CCOC(=O)[C@@]1(Cc2ccccc2)CCC[N@H+]1CC(=O)N(CC)CCC#N ZINC000484301568 561295961 /nfs/dbraw/zinc/29/59/61/561295961.db2.gz VWMWEEFDORKHQY-NRFANRHFSA-N 1 2 371.481 2.389 20 30 FEEDLO Cc1oc(NC(=O)[C@@H](C)N2CCN(c3cc[nH+]c(C)n3)CC2)c(C#N)c1C ZINC000183807966 547723581 /nfs/dbraw/zinc/72/35/81/547723581.db2.gz UBYRWOLBBMGKBR-CYBMUJFWSA-N 1 2 368.441 2.016 20 30 FEEDLO Cc1oc(NC(=O)C[N@@H+]2CCCN(c3ccccn3)CC2)c(C#N)c1C ZINC000183827397 547725559 /nfs/dbraw/zinc/72/55/59/547725559.db2.gz IDLQWKBHOVQVQP-UHFFFAOYSA-N 1 2 353.426 2.314 20 30 FEEDLO Cc1oc(NC(=O)C[N@H+]2CCCN(c3ccccn3)CC2)c(C#N)c1C ZINC000183827397 547725566 /nfs/dbraw/zinc/72/55/66/547725566.db2.gz IDLQWKBHOVQVQP-UHFFFAOYSA-N 1 2 353.426 2.314 20 30 FEEDLO C=CCc1cc(C[NH+]2CCN(c3cc(OC)ncn3)CC2)cc(OC)c1O ZINC000184435995 547826882 /nfs/dbraw/zinc/82/68/82/547826882.db2.gz KZNROEOHGJYVKV-UHFFFAOYSA-N 1 2 370.453 2.250 20 30 FEEDLO COc1cccc(-c2noc([C@@H](C)[NH2+]CC(=O)N[C@](C)(C#N)C(C)C)n2)c1 ZINC000185115727 547936203 /nfs/dbraw/zinc/93/62/03/547936203.db2.gz PGEKOEUZLIFXCZ-BFUOFWGJSA-N 1 2 371.441 2.450 20 30 FEEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@@H](C)c1nc(Cc2ccccc2)no1 ZINC000185415990 547981815 /nfs/dbraw/zinc/98/18/15/547981815.db2.gz JODFVZIFBMWRJS-GJZGRUSLSA-N 1 2 355.442 2.319 20 30 FEEDLO C=CCN(CCOC)CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000191082259 548340039 /nfs/dbraw/zinc/34/00/39/548340039.db2.gz XFCJIOGSNXLZQP-UHFFFAOYSA-N 1 2 366.531 2.448 20 30 FEEDLO C=CCN(CCOC)C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000191129100 548340736 /nfs/dbraw/zinc/34/07/36/548340736.db2.gz NHQSCKNBGUTMHT-IBGZPJMESA-N 1 2 361.486 2.212 20 30 FEEDLO C=CCC1(C(=O)N2CC[NH+](CCNC(=O)c3ccccc3F)CC2)CCC1 ZINC000191518367 548346766 /nfs/dbraw/zinc/34/67/66/548346766.db2.gz WTBMWCFFMJXZMT-UHFFFAOYSA-N 1 2 373.472 2.446 20 30 FEEDLO CCn1cnnc1[C@@H]1CCC[N@@H+]([C@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000246596713 549170122 /nfs/dbraw/zinc/17/01/22/549170122.db2.gz XDXZCNAPIVQTIM-CABCVRRESA-N 1 2 370.482 2.216 20 30 FEEDLO CCn1cnnc1[C@@H]1CCC[N@H+]([C@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000246596713 549170124 /nfs/dbraw/zinc/17/01/24/549170124.db2.gz XDXZCNAPIVQTIM-CABCVRRESA-N 1 2 370.482 2.216 20 30 FEEDLO N#Cc1ccc([C@@H](C(N)=O)[N@@H+]2CCC[C@@H](Oc3ncccc3F)C2)cc1 ZINC000489012161 561401501 /nfs/dbraw/zinc/40/15/01/561401501.db2.gz GVHXVEAFDLJPRA-WBVHZDCISA-N 1 2 354.385 2.162 20 30 FEEDLO N#Cc1ccc([C@@H](C(N)=O)[N@H+]2CCC[C@@H](Oc3ncccc3F)C2)cc1 ZINC000489012161 561401502 /nfs/dbraw/zinc/40/15/02/561401502.db2.gz GVHXVEAFDLJPRA-WBVHZDCISA-N 1 2 354.385 2.162 20 30 FEEDLO N#Cc1ccc([C@H](C(N)=O)[N@@H+]2CCC[C@@H](Oc3ncccc3F)C2)cc1 ZINC000489012154 561401544 /nfs/dbraw/zinc/40/15/44/561401544.db2.gz GVHXVEAFDLJPRA-NVXWUHKLSA-N 1 2 354.385 2.162 20 30 FEEDLO N#Cc1ccc([C@H](C(N)=O)[N@H+]2CCC[C@@H](Oc3ncccc3F)C2)cc1 ZINC000489012154 561401545 /nfs/dbraw/zinc/40/15/45/561401545.db2.gz GVHXVEAFDLJPRA-NVXWUHKLSA-N 1 2 354.385 2.162 20 30 FEEDLO CCOc1cc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@H]2C)ccc1OC ZINC000247050120 549273017 /nfs/dbraw/zinc/27/30/17/549273017.db2.gz VAMQBQCBUJQNDX-OAHLLOKOSA-N 1 2 367.453 2.466 20 30 FEEDLO CCOc1cc(C[N@H+]2CCN(c3nccnc3C#N)C[C@H]2C)ccc1OC ZINC000247050120 549273021 /nfs/dbraw/zinc/27/30/21/549273021.db2.gz VAMQBQCBUJQNDX-OAHLLOKOSA-N 1 2 367.453 2.466 20 30 FEEDLO C=CCCCS(=O)(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000489078875 561402869 /nfs/dbraw/zinc/40/28/69/561402869.db2.gz RQLPABMGKKMCLI-UHFFFAOYSA-N 1 2 352.504 2.326 20 30 FEEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000247302828 549314066 /nfs/dbraw/zinc/31/40/66/549314066.db2.gz LNFWMMZDBPHYOE-XRGNVEDSSA-N 1 2 363.502 2.186 20 30 FEEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000247302828 549314070 /nfs/dbraw/zinc/31/40/70/549314070.db2.gz LNFWMMZDBPHYOE-XRGNVEDSSA-N 1 2 363.502 2.186 20 30 FEEDLO C#CCNC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000247743857 549376216 /nfs/dbraw/zinc/37/62/16/549376216.db2.gz PEURJWQSRXOFJB-MRXNPFEDSA-N 1 2 362.433 2.300 20 30 FEEDLO COCC[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)[C@H]1CCO[C@H]1C ZINC000489422466 561410542 /nfs/dbraw/zinc/41/05/42/561410542.db2.gz FGDCETYXNAXLKD-LRDDRELGSA-N 1 2 351.834 2.276 20 30 FEEDLO COCC[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)[C@H]1CCO[C@H]1C ZINC000489422466 561410543 /nfs/dbraw/zinc/41/05/43/561410543.db2.gz FGDCETYXNAXLKD-LRDDRELGSA-N 1 2 351.834 2.276 20 30 FEEDLO COCCO[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000249323573 549580908 /nfs/dbraw/zinc/58/09/08/549580908.db2.gz GJQXSNRMHYPUDC-QWHCGFSZSA-N 1 2 363.483 2.173 20 30 FEEDLO COCCO[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000249323573 549580911 /nfs/dbraw/zinc/58/09/11/549580911.db2.gz GJQXSNRMHYPUDC-QWHCGFSZSA-N 1 2 363.483 2.173 20 30 FEEDLO N#Cc1cccc([C@@H]2CN(C(=O)c3cc(-n4cc[nH+]c4)ccn3)CCO2)c1 ZINC000490068960 561425700 /nfs/dbraw/zinc/42/57/00/561425700.db2.gz VLPPSRJBNFVEEL-IBGZPJMESA-N 1 2 359.389 2.353 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCc3nccn3C(F)F)CC2)cc1 ZINC000263824844 549942410 /nfs/dbraw/zinc/94/24/10/549942410.db2.gz LELFOBCRWVBHKA-UHFFFAOYSA-N 1 2 374.395 2.177 20 30 FEEDLO N#CCOc1ccc(CNC(=O)N2CC[NH+](Cc3ccco3)CC2)cc1 ZINC000263945306 549958871 /nfs/dbraw/zinc/95/88/71/549958871.db2.gz TWQOMCYJCBTAKQ-UHFFFAOYSA-N 1 2 354.410 2.209 20 30 FEEDLO CN(CC(=O)NC1(C#N)CCCCC1)Cc1[nH+]ccn1CC(F)(F)F ZINC000264047293 549972731 /nfs/dbraw/zinc/97/27/31/549972731.db2.gz GRIXDGUWGVSAGS-UHFFFAOYSA-N 1 2 357.380 2.220 20 30 FEEDLO C[C@H](C(=O)Nc1ncccn1)[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000264134987 549983365 /nfs/dbraw/zinc/98/33/65/549983365.db2.gz PHAACEBTEBMPJY-CQSZACIVSA-N 1 2 351.410 2.219 20 30 FEEDLO CCOC[C@@H]1CCC[N@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000265070614 550005807 /nfs/dbraw/zinc/00/58/07/550005807.db2.gz PBKUALXVGJYUSH-GDBMZVCRSA-N 1 2 368.437 2.260 20 30 FEEDLO CCOC[C@@H]1CCC[N@@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000265070614 550005809 /nfs/dbraw/zinc/00/58/09/550005809.db2.gz PBKUALXVGJYUSH-GDBMZVCRSA-N 1 2 368.437 2.260 20 30 FEEDLO C#CCOc1ccccc1CNc1cc(N2CCC[C@@H](CO)C2)nc[nH+]1 ZINC000265168523 550007451 /nfs/dbraw/zinc/00/74/51/550007451.db2.gz YEISFUJWMZDEIZ-MRXNPFEDSA-N 1 2 352.438 2.309 20 30 FEEDLO C#CCOc1ccccc1CNc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1 ZINC000265168523 550007453 /nfs/dbraw/zinc/00/74/53/550007453.db2.gz YEISFUJWMZDEIZ-MRXNPFEDSA-N 1 2 352.438 2.309 20 30 FEEDLO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CC[S@](=O)[C@H](C)[C@@H]2C)c(OC)c1 ZINC000265652219 550012504 /nfs/dbraw/zinc/01/25/04/550012504.db2.gz VMBATPHOGIDTQR-UGWXPMNSSA-N 1 2 367.511 2.005 20 30 FEEDLO C=CCc1ccc(OC[C@H](O)C[N@H+]2CC[S@](=O)[C@H](C)[C@@H]2C)c(OC)c1 ZINC000265652219 550012506 /nfs/dbraw/zinc/01/25/06/550012506.db2.gz VMBATPHOGIDTQR-UGWXPMNSSA-N 1 2 367.511 2.005 20 30 FEEDLO N#CCCn1cc(C(=O)C[N@@H+]2CCC[C@H]2C(=O)NC2CC2)c2ccccc21 ZINC000266885344 550025136 /nfs/dbraw/zinc/02/51/36/550025136.db2.gz BVMQRUGXOBSIKL-IBGZPJMESA-N 1 2 364.449 2.481 20 30 FEEDLO N#CCCn1cc(C(=O)C[N@H+]2CCC[C@H]2C(=O)NC2CC2)c2ccccc21 ZINC000266885344 550025139 /nfs/dbraw/zinc/02/51/39/550025139.db2.gz BVMQRUGXOBSIKL-IBGZPJMESA-N 1 2 364.449 2.481 20 30 FEEDLO CC(C)CCN(CCC#N)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000267437342 550031463 /nfs/dbraw/zinc/03/14/63/550031463.db2.gz DWBIMZXEQLQDMZ-UHFFFAOYSA-N 1 2 362.478 2.009 20 30 FEEDLO C[C@H]1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000491582080 561446783 /nfs/dbraw/zinc/44/67/83/561446783.db2.gz TZFMUELSKDPQGH-LRDDRELGSA-N 1 2 371.828 2.456 20 30 FEEDLO CCOCc1ccccc1CNC(=O)CO[NH+]=C(N)[C@@H](C)OCC(C)C ZINC000268547914 550085363 /nfs/dbraw/zinc/08/53/63/550085363.db2.gz CISFAMXDCPNNAY-OAHLLOKOSA-N 1 2 365.474 2.189 20 30 FEEDLO C[C@@H](Cc1ccncc1)NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000492909107 561453348 /nfs/dbraw/zinc/45/33/48/561453348.db2.gz BPQDSZXJVZNYOC-KRWDZBQOSA-N 1 2 363.465 2.412 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C[C@@H]3CSCCS3)CC2)cc1 ZINC000269721700 550219973 /nfs/dbraw/zinc/21/99/73/550219973.db2.gz URDJFNVAEVKMDU-QGZVFWFLSA-N 1 2 361.536 2.441 20 30 FEEDLO C=CCNC(=O)NC(=O)[C@H](C)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000270154745 550252286 /nfs/dbraw/zinc/25/22/86/550252286.db2.gz WNJYFDFZZULGIQ-AWEZNQCLSA-N 1 2 365.437 2.414 20 30 FEEDLO N#Cc1ccc(CNC(=O)C[N@@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)cc1 ZINC000270849028 550313836 /nfs/dbraw/zinc/31/38/36/550313836.db2.gz HPEKYGUPXSYYRJ-QGZVFWFLSA-N 1 2 364.453 2.050 20 30 FEEDLO N#Cc1ccc(CNC(=O)C[N@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)cc1 ZINC000270849028 550313837 /nfs/dbraw/zinc/31/38/37/550313837.db2.gz HPEKYGUPXSYYRJ-QGZVFWFLSA-N 1 2 364.453 2.050 20 30 FEEDLO N#Cc1ccc(CNC(=O)C[N@@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)cc1 ZINC000270849028 550313838 /nfs/dbraw/zinc/31/38/38/550313838.db2.gz HPEKYGUPXSYYRJ-QGZVFWFLSA-N 1 2 364.453 2.050 20 30 FEEDLO N#Cc1ccc(CNC(=O)C[N@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)cc1 ZINC000270849028 550313839 /nfs/dbraw/zinc/31/38/39/550313839.db2.gz HPEKYGUPXSYYRJ-QGZVFWFLSA-N 1 2 364.453 2.050 20 30 FEEDLO COCCCOCC[N@H+](C)CC(=O)Nc1ccccc1SCC#N ZINC000271610921 550389421 /nfs/dbraw/zinc/38/94/21/550389421.db2.gz VJXYPHMMHYVFAC-UHFFFAOYSA-N 1 2 351.472 2.226 20 30 FEEDLO COCCCOCC[N@@H+](C)CC(=O)Nc1ccccc1SCC#N ZINC000271610921 550389422 /nfs/dbraw/zinc/38/94/22/550389422.db2.gz VJXYPHMMHYVFAC-UHFFFAOYSA-N 1 2 351.472 2.226 20 30 FEEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2C[C@@H](O)C3(CC3)C2)c1C#N ZINC000494402195 561468981 /nfs/dbraw/zinc/46/89/81/561468981.db2.gz CZPOHWXDSHLQTJ-QGZVFWFLSA-N 1 2 356.470 2.487 20 30 FEEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2C[C@@H](O)C3(CC3)C2)c1C#N ZINC000494402195 561468982 /nfs/dbraw/zinc/46/89/82/561468982.db2.gz CZPOHWXDSHLQTJ-QGZVFWFLSA-N 1 2 356.470 2.487 20 30 FEEDLO C#CC[N@@H+](CC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F)C1CC1 ZINC000274029346 550520376 /nfs/dbraw/zinc/52/03/76/550520376.db2.gz DDBGXAVDSFVFPD-HNNXBMFYSA-N 1 2 365.355 2.390 20 30 FEEDLO C#CC[N@H+](CC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F)C1CC1 ZINC000274029346 550520377 /nfs/dbraw/zinc/52/03/77/550520377.db2.gz DDBGXAVDSFVFPD-HNNXBMFYSA-N 1 2 365.355 2.390 20 30 FEEDLO C=C(C)CN(CC)C(=O)C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000275379587 550571860 /nfs/dbraw/zinc/57/18/60/550571860.db2.gz CVZPUMUSMHWXPR-MRXNPFEDSA-N 1 2 359.470 2.443 20 30 FEEDLO N#CCCCCS(=O)(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000277254617 550648135 /nfs/dbraw/zinc/64/81/35/550648135.db2.gz WCGKHPZMTCUJHN-KRWDZBQOSA-N 1 2 367.540 2.217 20 30 FEEDLO N#CCCCCS(=O)(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000277254617 550648136 /nfs/dbraw/zinc/64/81/36/550648136.db2.gz WCGKHPZMTCUJHN-KRWDZBQOSA-N 1 2 367.540 2.217 20 30 FEEDLO N#Cc1ccc(N2CC[C@H]([N@@H+]3CCC[C@H]([C@@H](O)C(F)(F)F)C3)C2=O)cc1 ZINC000277637594 550695449 /nfs/dbraw/zinc/69/54/49/550695449.db2.gz BWVNGYUVYLOMGR-CWRNSKLLSA-N 1 2 367.371 2.299 20 30 FEEDLO N#Cc1ccc(N2CC[C@H]([N@H+]3CCC[C@H]([C@@H](O)C(F)(F)F)C3)C2=O)cc1 ZINC000277637594 550695450 /nfs/dbraw/zinc/69/54/50/550695450.db2.gz BWVNGYUVYLOMGR-CWRNSKLLSA-N 1 2 367.371 2.299 20 30 FEEDLO N#C[C@H]1CC[C@@H]([NH+]2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C1 ZINC000278746400 550817549 /nfs/dbraw/zinc/81/75/49/550817549.db2.gz WUKQOJQGCHVHQV-DZGCQCFKSA-N 1 2 353.875 2.339 20 30 FEEDLO Cc1sc(CC(=O)N(CCC#N)CC[NH+]2CCOCC2)nc1C(C)C ZINC000279344813 550879687 /nfs/dbraw/zinc/87/96/87/550879687.db2.gz ZNFYOTRWSIMCQV-UHFFFAOYSA-N 1 2 364.515 2.192 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000281361479 551088080 /nfs/dbraw/zinc/08/80/80/551088080.db2.gz KTHWUTAOGVJEBZ-UFYCRDLUSA-N 1 2 373.497 2.340 20 30 FEEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)N(CC)[C@@H](C)c2ccc(F)cc2)C1=O ZINC000281455565 551099455 /nfs/dbraw/zinc/09/94/55/551099455.db2.gz UWWNKOLLBCBGAX-MAUKXSAKSA-N 1 2 361.461 2.454 20 30 FEEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)N(CC)[C@@H](C)c2ccc(F)cc2)C1=O ZINC000281455565 551099456 /nfs/dbraw/zinc/09/94/56/551099456.db2.gz UWWNKOLLBCBGAX-MAUKXSAKSA-N 1 2 361.461 2.454 20 30 FEEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1=O ZINC000281455902 551099706 /nfs/dbraw/zinc/09/97/06/551099706.db2.gz VADTWFQTGZZBJH-MLGOLLRUSA-N 1 2 360.845 2.257 20 30 FEEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1=O ZINC000281455902 551099708 /nfs/dbraw/zinc/09/97/08/551099708.db2.gz VADTWFQTGZZBJH-MLGOLLRUSA-N 1 2 360.845 2.257 20 30 FEEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)C(=O)Nc2nc3ccccc3s2)C1=O ZINC000281516584 551107692 /nfs/dbraw/zinc/10/76/92/551107692.db2.gz ZBYYLWWKKOQNRO-TZMCWYRMSA-N 1 2 358.467 2.342 20 30 FEEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](C)C(=O)Nc2nc3ccccc3s2)C1=O ZINC000281516584 551107693 /nfs/dbraw/zinc/10/76/93/551107693.db2.gz ZBYYLWWKKOQNRO-TZMCWYRMSA-N 1 2 358.467 2.342 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC000281590790 551117432 /nfs/dbraw/zinc/11/74/32/551117432.db2.gz QLSBDDVXRCXQOC-WBVHZDCISA-N 1 2 364.515 2.260 20 30 FEEDLO C=CCN1CC[C@H]([NH+]2CCN(Cc3csc(C(C)(C)C)n3)CC2)C1=O ZINC000282046704 551173859 /nfs/dbraw/zinc/17/38/59/551173859.db2.gz RIYQAZKGINXKBX-INIZCTEOSA-N 1 2 362.543 2.345 20 30 FEEDLO CC[N@H+](CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1)[C@@H]1CCNC1=O ZINC000282395774 551222618 /nfs/dbraw/zinc/22/26/18/551222618.db2.gz PHRJAEJATIOUEA-MRXNPFEDSA-N 1 2 362.861 2.106 20 30 FEEDLO CC[N@@H+](CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1)[C@@H]1CCNC1=O ZINC000282395774 551222620 /nfs/dbraw/zinc/22/26/20/551222620.db2.gz PHRJAEJATIOUEA-MRXNPFEDSA-N 1 2 362.861 2.106 20 30 FEEDLO N#Cc1ncccc1S(=O)(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282468514 551233707 /nfs/dbraw/zinc/23/37/07/551233707.db2.gz WRSGTQIKOTWAII-CQSZACIVSA-N 1 2 371.466 2.054 20 30 FEEDLO N#Cc1ccc(C(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)nc1Cl ZINC000283197533 551327348 /nfs/dbraw/zinc/32/73/48/551327348.db2.gz YBXWLCYGIRKLFF-KRWDZBQOSA-N 1 2 370.840 2.410 20 30 FEEDLO Cc1ccc([C@@H](CNc2cc(N)c([N+](=O)[O-])c(C#N)c2)[NH+]2CCOCC2)o1 ZINC000283493825 551376282 /nfs/dbraw/zinc/37/62/82/551376282.db2.gz IBERGJOYVPYZOE-MRXNPFEDSA-N 1 2 371.397 2.436 20 30 FEEDLO CC[N@H+](CCCNC(=O)C(=O)NCc1cccc(C#N)c1)c1ccccc1 ZINC000283552303 551386523 /nfs/dbraw/zinc/38/65/23/551386523.db2.gz QTDOMHZNKVRMDV-UHFFFAOYSA-N 1 2 364.449 2.207 20 30 FEEDLO CC[N@@H+](CCCNC(=O)C(=O)NCc1cccc(C#N)c1)c1ccccc1 ZINC000283552303 551386524 /nfs/dbraw/zinc/38/65/24/551386524.db2.gz QTDOMHZNKVRMDV-UHFFFAOYSA-N 1 2 364.449 2.207 20 30 FEEDLO CC(C)SCC[NH+]1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000283553509 551386526 /nfs/dbraw/zinc/38/65/26/551386526.db2.gz NLKGLZHBBBFISI-UHFFFAOYSA-N 1 2 353.513 2.006 20 30 FEEDLO C#Cc1cccc(NC(=O)[C@@H]2CCC(=O)N(C3CC3)[C@H]2c2c[nH+]cn2C)c1 ZINC000285185604 551717224 /nfs/dbraw/zinc/71/72/24/551717224.db2.gz VRDQYAUZQVGMFS-YLJYHZDGSA-N 1 2 362.433 2.482 20 30 FEEDLO C=CCC[C@H](NC(=O)C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1)c1ccccc1 ZINC000286594084 551903955 /nfs/dbraw/zinc/90/39/55/551903955.db2.gz OKYQRIZEPADMLX-AOIWGVFYSA-N 1 2 373.497 2.036 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)o1 ZINC000286660322 551911751 /nfs/dbraw/zinc/91/17/51/551911751.db2.gz OVLMTNWZCHXPGX-UHFFFAOYSA-N 1 2 363.414 2.187 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)o1 ZINC000286660322 551911753 /nfs/dbraw/zinc/91/17/53/551911753.db2.gz OVLMTNWZCHXPGX-UHFFFAOYSA-N 1 2 363.414 2.187 20 30 FEEDLO C=C(CNC(=O)NCc1cc[nH+]c(N2CCOCC2)c1)c1ccccc1 ZINC000287139492 551968358 /nfs/dbraw/zinc/96/83/58/551968358.db2.gz POEHDRIDXKMFAO-UHFFFAOYSA-N 1 2 352.438 2.431 20 30 FEEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)C(C)(C)c1cc(F)cc(C#N)c1 ZINC000287619518 552026136 /nfs/dbraw/zinc/02/61/36/552026136.db2.gz ZCGHMPNBZAFIOG-KBXCAEBGSA-N 1 2 359.445 2.297 20 30 FEEDLO Cc1onc(CC(=O)N[C@@H](c2[nH+]ccn2C)c2ccc(F)cc2)c1C#N ZINC000499621780 561554805 /nfs/dbraw/zinc/55/48/05/561554805.db2.gz LBIFTVPRMCERFQ-QGZVFWFLSA-N 1 2 353.357 2.176 20 30 FEEDLO C#C[C@H](NC(=O)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1)C(C)(C)C ZINC000288483112 552160956 /nfs/dbraw/zinc/16/09/56/552160956.db2.gz SUANIWOSCYFGQP-YJBOKZPZSA-N 1 2 371.481 2.182 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C(=O)Nc2ccccc2OC(F)F)C1=O ZINC000499935724 561562248 /nfs/dbraw/zinc/56/22/48/561562248.db2.gz MPVRLQCEGMHDSX-OCCSQVGLSA-N 1 2 367.396 2.334 20 30 FEEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)C(=O)Nc2ccccc2OC(F)F)C1=O ZINC000499935724 561562249 /nfs/dbraw/zinc/56/22/49/561562249.db2.gz MPVRLQCEGMHDSX-OCCSQVGLSA-N 1 2 367.396 2.334 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1cccc([C@H]2CCCOC2)c1 ZINC000499947726 561562574 /nfs/dbraw/zinc/56/25/74/561562574.db2.gz SGUOPTAGEQWXAW-FQEVSTJZSA-N 1 2 371.481 2.269 20 30 FEEDLO Cc1onc(CC(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)c1C#N ZINC000499991676 561563546 /nfs/dbraw/zinc/56/35/46/561563546.db2.gz JYLFVBAEPIBOGW-CYBMUJFWSA-N 1 2 354.410 2.429 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)NC[C@H](c2ccccc2)C(C)C)C1=O ZINC000499994864 561563650 /nfs/dbraw/zinc/56/36/50/561563650.db2.gz HYWINSOUJPXNEM-OALUTQOASA-N 1 2 357.498 2.261 20 30 FEEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)NC[C@H](c2ccccc2)C(C)C)C1=O ZINC000499994864 561563651 /nfs/dbraw/zinc/56/36/51/561563651.db2.gz HYWINSOUJPXNEM-OALUTQOASA-N 1 2 357.498 2.261 20 30 FEEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C(=O)N2CCCCC2)c2ccccc2)C1=O ZINC000499996766 561563751 /nfs/dbraw/zinc/56/37/51/561563751.db2.gz CUJKZAPXWWKSME-OALUTQOASA-N 1 2 355.482 2.459 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C(=O)N2CCCCC2)c2ccccc2)C1=O ZINC000499996766 561563752 /nfs/dbraw/zinc/56/37/52/561563752.db2.gz CUJKZAPXWWKSME-OALUTQOASA-N 1 2 355.482 2.459 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)C(=O)N2c3ccccc3CC[C@@H]2C)C1=O ZINC000500020775 561564317 /nfs/dbraw/zinc/56/43/17/561564317.db2.gz SKGIQYOROKWZHB-BXWFABGCSA-N 1 2 355.482 2.462 20 30 FEEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)C(=O)N2c3ccccc3CC[C@@H]2C)C1=O ZINC000500020775 561564318 /nfs/dbraw/zinc/56/43/18/561564318.db2.gz SKGIQYOROKWZHB-BXWFABGCSA-N 1 2 355.482 2.462 20 30 FEEDLO C[C@@H](CC#N)N(C)S(=O)(=O)NCc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000289046335 552257839 /nfs/dbraw/zinc/25/78/39/552257839.db2.gz DBYQUJIXOBJPIU-LBPRGKRZSA-N 1 2 361.471 2.019 20 30 FEEDLO CCC(=O)N[C@H]1CCC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000500457500 561573653 /nfs/dbraw/zinc/57/36/53/561573653.db2.gz ODZDKJRVRVYNSY-WBVHZDCISA-N 1 2 374.460 2.451 20 30 FEEDLO CCC(=O)N[C@H]1CCC[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000500457500 561573654 /nfs/dbraw/zinc/57/36/54/561573654.db2.gz ODZDKJRVRVYNSY-WBVHZDCISA-N 1 2 374.460 2.451 20 30 FEEDLO Cn1c2c([nH+]c1[C@H]1CCCN1S(=O)(=O)c1cncc(C#N)c1)CCCC2 ZINC000290111927 552429113 /nfs/dbraw/zinc/42/91/13/552429113.db2.gz JUAFJOAYKZKZRN-QGZVFWFLSA-N 1 2 371.466 2.091 20 30 FEEDLO N#Cc1ccc(NC(=O)NCc2ccc(N3CCOCC3)[nH+]c2)cc1F ZINC000290257552 552449463 /nfs/dbraw/zinc/44/94/63/552449463.db2.gz UWIWAUOCXGQPAQ-UHFFFAOYSA-N 1 2 355.373 2.251 20 30 FEEDLO COc1ccc(C)cc1NC(=O)C[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292086352 552692440 /nfs/dbraw/zinc/69/24/40/552692440.db2.gz DZXHWIZCIPZLCA-MRXNPFEDSA-N 1 2 366.421 2.362 20 30 FEEDLO COc1ccc(C)cc1NC(=O)C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292086352 552692441 /nfs/dbraw/zinc/69/24/41/552692441.db2.gz DZXHWIZCIPZLCA-MRXNPFEDSA-N 1 2 366.421 2.362 20 30 FEEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292140880 552697646 /nfs/dbraw/zinc/69/76/46/552697646.db2.gz JLQKORGNCXBVKR-RHSMWYFYSA-N 1 2 361.405 2.305 20 30 FEEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292140880 552697648 /nfs/dbraw/zinc/69/76/48/552697648.db2.gz JLQKORGNCXBVKR-RHSMWYFYSA-N 1 2 361.405 2.305 20 30 FEEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](CCS(=O)(=O)Cc3ccccc3)C2)nc1 ZINC000292339189 552717462 /nfs/dbraw/zinc/71/74/62/552717462.db2.gz WXEOTHCREWZRMK-SFHVURJKSA-N 1 2 371.462 2.021 20 30 FEEDLO N#Cc1ccc(O[C@H]2CC[N@H+](CCS(=O)(=O)Cc3ccccc3)C2)nc1 ZINC000292339189 552717463 /nfs/dbraw/zinc/71/74/63/552717463.db2.gz WXEOTHCREWZRMK-SFHVURJKSA-N 1 2 371.462 2.021 20 30 FEEDLO C[C@H](c1nnnn1-c1ccccc1)[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292354150 552718859 /nfs/dbraw/zinc/71/88/59/552718859.db2.gz XPIWLALAEMAOEP-RHSMWYFYSA-N 1 2 361.409 2.143 20 30 FEEDLO C[C@H](c1nnnn1-c1ccccc1)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292354150 552718860 /nfs/dbraw/zinc/71/88/60/552718860.db2.gz XPIWLALAEMAOEP-RHSMWYFYSA-N 1 2 361.409 2.143 20 30 FEEDLO C[N@H+](CC(=O)c1cn(CCC#N)c2ccccc12)[C@H]1CCN2CCO[C@H]1C2 ZINC000295056393 552954880 /nfs/dbraw/zinc/95/48/80/552954880.db2.gz AZAZYCBMILDCQA-FPOVZHCZSA-N 1 2 366.465 2.143 20 30 FEEDLO C[N@@H+](CC(=O)c1cn(CCC#N)c2ccccc12)[C@H]1CCN2CCO[C@H]1C2 ZINC000295056393 552954881 /nfs/dbraw/zinc/95/48/81/552954881.db2.gz AZAZYCBMILDCQA-FPOVZHCZSA-N 1 2 366.465 2.143 20 30 FEEDLO C#CCNC(=O)CCSc1nnc([C@H](CC)[NH+](C)C)n1CCCC ZINC000295924407 553076033 /nfs/dbraw/zinc/07/60/33/553076033.db2.gz HPJBIUMKQAICTO-AWEZNQCLSA-N 1 2 351.520 2.323 20 30 FEEDLO COc1ccc(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)cc1C#N ZINC000296149936 553113029 /nfs/dbraw/zinc/11/30/29/553113029.db2.gz XLCKWYZURGSQPH-UHFFFAOYSA-N 1 2 353.382 2.192 20 30 FEEDLO CC[C@@H](C)[C@@H](NC(=O)C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1)C(=O)OC ZINC000502555464 561620965 /nfs/dbraw/zinc/62/09/65/561620965.db2.gz XFJHKBKDZXRAMB-FOIQADDNSA-N 1 2 369.465 2.351 20 30 FEEDLO CC[C@@H](C)[C@@H](NC(=O)C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1)C(=O)OC ZINC000502555464 561620966 /nfs/dbraw/zinc/62/09/66/561620966.db2.gz XFJHKBKDZXRAMB-FOIQADDNSA-N 1 2 369.465 2.351 20 30 FEEDLO CCOc1ccc(C#N)cc1NC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000502649840 561622765 /nfs/dbraw/zinc/62/27/65/561622765.db2.gz FFTYZTGKDXDVKI-UHFFFAOYSA-N 1 2 354.414 2.030 20 30 FEEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CCC[C@@H](O)[C@H]2C)c1C#N ZINC000296446689 553161322 /nfs/dbraw/zinc/16/13/22/553161322.db2.gz WUMPRFMZJLMBMO-CRAIPNDOSA-N 1 2 370.453 2.402 20 30 FEEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CCC[C@@H](O)[C@H]2C)c1C#N ZINC000296446689 553161324 /nfs/dbraw/zinc/16/13/24/553161324.db2.gz WUMPRFMZJLMBMO-CRAIPNDOSA-N 1 2 370.453 2.402 20 30 FEEDLO N#Cc1ccc(CNC(=O)CN2CC[NH+](Cc3cccc(F)c3)CC2)cc1 ZINC000502743996 561624249 /nfs/dbraw/zinc/62/42/49/561624249.db2.gz OXKOAPPQHHHAMP-UHFFFAOYSA-N 1 2 366.440 2.131 20 30 FEEDLO CCc1nc(C#N)cc(NCc2ccc(C[NH+]3CCS(=O)CC3)cc2)n1 ZINC000601178850 553356867 /nfs/dbraw/zinc/35/68/67/553356867.db2.gz ZQDJJIMVAVCAKS-UHFFFAOYSA-N 1 2 369.494 2.087 20 30 FEEDLO C[C@H]1CCCCN1C(=O)CN1CC[NH+](Cc2ccc(OCC#N)cc2)CC1 ZINC000298381595 553418796 /nfs/dbraw/zinc/41/87/96/553418796.db2.gz DGCJJVJZLDYGRI-SFHVURJKSA-N 1 2 370.497 2.108 20 30 FEEDLO C[C@H]1CCCCN1C(=O)C[NH+]1CCN(Cc2ccc(OCC#N)cc2)CC1 ZINC000298381595 553418797 /nfs/dbraw/zinc/41/87/97/553418797.db2.gz DGCJJVJZLDYGRI-SFHVURJKSA-N 1 2 370.497 2.108 20 30 FEEDLO C#CCOc1ccc(F)cc1NC(=O)N[C@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000298530633 553436590 /nfs/dbraw/zinc/43/65/90/553436590.db2.gz SCDRIFVTUJUZIY-MRXNPFEDSA-N 1 2 374.416 2.453 20 30 FEEDLO CCN(C(=O)CO[NH+]=C(N)c1ccc(OC)c(OC)c1)c1ccccc1 ZINC000298726934 553464732 /nfs/dbraw/zinc/46/47/32/553464732.db2.gz GEWSETFZNQTMPW-UHFFFAOYSA-N 1 2 357.410 2.394 20 30 FEEDLO CC[C@@H](C)NC(=O)C[NH+]1CCN(c2ccc3cc(C#N)ccc3n2)CC1 ZINC000301832225 553683625 /nfs/dbraw/zinc/68/36/25/553683625.db2.gz UAEXEDYDVGBKIR-OAHLLOKOSA-N 1 2 351.454 2.143 20 30 FEEDLO N#Cc1ccccc1OC[C@@H](O)C[NH+]1CCN(Cc2ccccc2)CC1 ZINC000310707342 553753280 /nfs/dbraw/zinc/75/32/80/553753280.db2.gz LASVQLAKOZCGHA-FQEVSTJZSA-N 1 2 351.450 2.116 20 30 FEEDLO Cn1cc(C[NH+]2CCN(CC(=O)Nc3nc4c(s3)CCCC4)CC2)cn1 ZINC000328779543 553821509 /nfs/dbraw/zinc/82/15/09/553821509.db2.gz IWUWQGOGRRSSIE-UHFFFAOYSA-N 1 2 374.514 2.161 20 30 FEEDLO C[C@@H]1CN(C(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)C2CCCCC2)[C@@H](C)CO1 ZINC000328796690 553823291 /nfs/dbraw/zinc/82/32/91/553823291.db2.gz UZQTXYSKUQIBCN-VBQJREDUSA-N 1 2 362.474 2.493 20 30 FEEDLO C[C@@H]1CN(C(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)C2CCCCC2)[C@@H](C)CO1 ZINC000328796690 553823292 /nfs/dbraw/zinc/82/32/92/553823292.db2.gz UZQTXYSKUQIBCN-VBQJREDUSA-N 1 2 362.474 2.493 20 30 FEEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1)CCC2 ZINC000328805598 553825139 /nfs/dbraw/zinc/82/51/39/553825139.db2.gz LTODFDJLCGVIRI-RYUDHWBXSA-N 1 2 358.364 2.436 20 30 FEEDLO Cc1cn2cc(NC(=O)[C@@H]3CC(=O)N(C)[C@H]3c3ccnn3C)ccc2[nH+]1 ZINC000328852214 553832631 /nfs/dbraw/zinc/83/26/31/553832631.db2.gz ISJSGAYTXMQSBE-CXAGYDPISA-N 1 2 352.398 2.184 20 30 FEEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)NCc3nc(C(C)(C)C)cs3)C[C@H]21 ZINC000328887109 553839350 /nfs/dbraw/zinc/83/93/50/553839350.db2.gz PFTWFQUOXODMPA-CHWSQXEVSA-N 1 2 352.504 2.260 20 30 FEEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)NCc3nc(C(C)(C)C)cs3)C[C@H]21 ZINC000328887109 553839353 /nfs/dbraw/zinc/83/93/53/553839353.db2.gz PFTWFQUOXODMPA-CHWSQXEVSA-N 1 2 352.504 2.260 20 30 FEEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)NCCc3nc(C(C)(C)C)cs3)C[C@H]21 ZINC000328889805 553839664 /nfs/dbraw/zinc/83/96/64/553839664.db2.gz REQNJKVJGGJBEU-ZIAGYGMSSA-N 1 2 366.531 2.302 20 30 FEEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)NCCc3nc(C(C)(C)C)cs3)C[C@H]21 ZINC000328889805 553839667 /nfs/dbraw/zinc/83/96/67/553839667.db2.gz REQNJKVJGGJBEU-ZIAGYGMSSA-N 1 2 366.531 2.302 20 30 FEEDLO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CC12CCS(=O)(=O)CC2 ZINC000328890597 553839727 /nfs/dbraw/zinc/83/97/27/553839727.db2.gz RTPPEIMLBBACES-DLBZAZTESA-N 1 2 362.495 2.432 20 30 FEEDLO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CC12CCS(=O)(=O)CC2 ZINC000328890597 553839730 /nfs/dbraw/zinc/83/97/30/553839730.db2.gz RTPPEIMLBBACES-DLBZAZTESA-N 1 2 362.495 2.432 20 30 FEEDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)COc2ccsc2Cl)CC1 ZINC000328909410 553843295 /nfs/dbraw/zinc/84/32/95/553843295.db2.gz MSVQAGAWVRCZAS-NSHDSACASA-N 1 2 371.890 2.432 20 30 FEEDLO Cc1csc([C@H](NC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)C2CC2)n1 ZINC000329074196 553875566 /nfs/dbraw/zinc/87/55/66/553875566.db2.gz PCRVKLVLQHSJKI-SOUVJXGZSA-N 1 2 350.488 2.222 20 30 FEEDLO Cc1csc([C@H](NC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)C2CC2)n1 ZINC000329074196 553875570 /nfs/dbraw/zinc/87/55/70/553875570.db2.gz PCRVKLVLQHSJKI-SOUVJXGZSA-N 1 2 350.488 2.222 20 30 FEEDLO Cc1cn2c([nH+]1)[C@@H](CNS(=O)(=O)Cc1cc(C#N)ccc1F)CCC2 ZINC000329110746 553881870 /nfs/dbraw/zinc/88/18/70/553881870.db2.gz GMUUWYAJBHPSCU-CQSZACIVSA-N 1 2 362.430 2.199 20 30 FEEDLO Cc1nn(C)c(C)c1[C@@H]1COCCN1C(=O)NC[C@H]1CCCn2cc[nH+]c21 ZINC000329165282 553893385 /nfs/dbraw/zinc/89/33/85/553893385.db2.gz HJHNRDRGCUBYRB-CVEARBPZSA-N 1 2 372.473 2.098 20 30 FEEDLO CC(C)C(=O)NC1CCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000329243752 553910099 /nfs/dbraw/zinc/91/00/99/553910099.db2.gz PICOWDJFEZMPMD-KRWDZBQOSA-N 1 2 351.491 2.233 20 30 FEEDLO CC(C)C(=O)NC1CCN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000329243752 553910102 /nfs/dbraw/zinc/91/01/02/553910102.db2.gz PICOWDJFEZMPMD-KRWDZBQOSA-N 1 2 351.491 2.233 20 30 FEEDLO CC[C@@H]1CCCN(C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)C1 ZINC000329289127 553918437 /nfs/dbraw/zinc/91/84/37/553918437.db2.gz PYQRWXQNIIAILH-OAHLLOKOSA-N 1 2 359.474 2.137 20 30 FEEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)c1ccnc(-n3cncn3)c1)C2 ZINC000329392329 553937648 /nfs/dbraw/zinc/93/76/48/553937648.db2.gz UBHUCDCQISETIW-CQSZACIVSA-N 1 2 365.441 2.476 20 30 FEEDLO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)c2nn(C)c3ccccc3c2=O)C[C@H](C)O1 ZINC000329416523 553942425 /nfs/dbraw/zinc/94/24/25/553942425.db2.gz DFHSIBOVPVYMSM-OKILXGFUSA-N 1 2 372.469 2.126 20 30 FEEDLO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)c2nn(C)c3ccccc3c2=O)C[C@H](C)O1 ZINC000329416523 553942428 /nfs/dbraw/zinc/94/24/28/553942428.db2.gz DFHSIBOVPVYMSM-OKILXGFUSA-N 1 2 372.469 2.126 20 30 FEEDLO Cc1ccc(NC(=O)NC(=O)C[N@H+](C)C[C@H]2CCS(=O)(=O)C2)cc1C ZINC000329576580 553970667 /nfs/dbraw/zinc/97/06/67/553970667.db2.gz OJEWPIOJGIRSDK-CQSZACIVSA-N 1 2 367.471 2.158 20 30 FEEDLO Cc1ccc(NC(=O)NC(=O)C[N@@H+](C)C[C@H]2CCS(=O)(=O)C2)cc1C ZINC000329576580 553970670 /nfs/dbraw/zinc/97/06/70/553970670.db2.gz OJEWPIOJGIRSDK-CQSZACIVSA-N 1 2 367.471 2.158 20 30 FEEDLO C[C@H](C(=O)NCCc1c[nH]c2ccccc12)[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000329664562 553984450 /nfs/dbraw/zinc/98/44/50/553984450.db2.gz JXUFVKAUAYAAND-WBVHZDCISA-N 1 2 356.470 2.072 20 30 FEEDLO C[C@H](C(=O)NCCc1c[nH]c2ccccc12)[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000329664562 553984453 /nfs/dbraw/zinc/98/44/53/553984453.db2.gz JXUFVKAUAYAAND-WBVHZDCISA-N 1 2 356.470 2.072 20 30 FEEDLO COc1ccc(OC)c(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](N3CCOCC3)C2)c1 ZINC000329683581 553988180 /nfs/dbraw/zinc/98/81/80/553988180.db2.gz XUPFGRDZACQJSW-CABCVRRESA-N 1 2 363.458 2.087 20 30 FEEDLO COc1ccc(OC)c(NC(=O)[C@@H](C)[N@H+]2CC[C@H](N3CCOCC3)C2)c1 ZINC000329683581 553988184 /nfs/dbraw/zinc/98/81/84/553988184.db2.gz XUPFGRDZACQJSW-CABCVRRESA-N 1 2 363.458 2.087 20 30 FEEDLO COc1ccc(OC)c(NC(=O)[C@@H](C)N2CC[C@H]([NH+]3CCOCC3)C2)c1 ZINC000329683581 553988193 /nfs/dbraw/zinc/98/81/93/553988193.db2.gz XUPFGRDZACQJSW-CABCVRRESA-N 1 2 363.458 2.087 20 30 FEEDLO Cc1ccccc1[C@H]1C[C@H](NC(=O)N2CCO[C@@H](C[N@@H+](C)CC(N)=O)C2)C1 ZINC000329804295 554008950 /nfs/dbraw/zinc/00/89/50/554008950.db2.gz LXMWEEPPWRJPGX-ULQDDVLXSA-N 1 2 374.485 2.323 20 30 FEEDLO Cc1ccccc1[C@H]1C[C@H](NC(=O)N2CCO[C@@H](C[N@H+](C)CC(N)=O)C2)C1 ZINC000329804295 554008952 /nfs/dbraw/zinc/00/89/52/554008952.db2.gz LXMWEEPPWRJPGX-ULQDDVLXSA-N 1 2 374.485 2.323 20 30 FEEDLO CN1CC[NH+](CC2(C)CCN(C(=O)N[C@@H]3CCCc4cn[nH]c43)CC2)CC1 ZINC000329810310 554010229 /nfs/dbraw/zinc/01/02/29/554010229.db2.gz CHJGYSMLGIFWIG-QGZVFWFLSA-N 1 2 374.533 2.051 20 30 FEEDLO CSc1nc(C2CC2)nc(C)c1C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000329891651 554025740 /nfs/dbraw/zinc/02/57/40/554025740.db2.gz IEAGGMASTXHILA-NSHDSACASA-N 1 2 350.488 2.410 20 30 FEEDLO CSc1nc(C2CC2)nc(C)c1C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000329891651 554025743 /nfs/dbraw/zinc/02/57/43/554025743.db2.gz IEAGGMASTXHILA-NSHDSACASA-N 1 2 350.488 2.410 20 30 FEEDLO C[C@H](C(=O)Nc1ccccc1OC(F)F)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000329933347 554034043 /nfs/dbraw/zinc/03/40/43/554034043.db2.gz PYPVZEWBWPEPSN-ZLDLUXBVSA-N 1 2 355.385 2.279 20 30 FEEDLO C[C@H](C(=O)Nc1ccccc1OC(F)F)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000329933347 554034047 /nfs/dbraw/zinc/03/40/47/554034047.db2.gz PYPVZEWBWPEPSN-ZLDLUXBVSA-N 1 2 355.385 2.279 20 30 FEEDLO C[C@H](C(=O)Nc1ccccc1OC(F)F)[N@@H+]1C[C@@H]2OCCN(C)[C@H]2C1 ZINC000329933347 554034050 /nfs/dbraw/zinc/03/40/50/554034050.db2.gz PYPVZEWBWPEPSN-ZLDLUXBVSA-N 1 2 355.385 2.279 20 30 FEEDLO C[C@H](C(=O)Nc1ccccc1OC(F)F)[N@H+]1C[C@@H]2OCCN(C)[C@H]2C1 ZINC000329933347 554034055 /nfs/dbraw/zinc/03/40/55/554034055.db2.gz PYPVZEWBWPEPSN-ZLDLUXBVSA-N 1 2 355.385 2.279 20 30 FEEDLO CC[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000329974172 554042365 /nfs/dbraw/zinc/04/23/65/554042365.db2.gz ZZRDFFLLWBEDIU-VGWMRTNUSA-N 1 2 352.454 2.494 20 30 FEEDLO CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1)C(=O)NC[C@H]1CCCS1 ZINC000329979306 554042742 /nfs/dbraw/zinc/04/27/42/554042742.db2.gz JIIOMBOJQFOBPB-HRCADAONSA-N 1 2 369.510 2.074 20 30 FEEDLO CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1)C(=O)NC[C@H]1CCCS1 ZINC000329979306 554042744 /nfs/dbraw/zinc/04/27/44/554042744.db2.gz JIIOMBOJQFOBPB-HRCADAONSA-N 1 2 369.510 2.074 20 30 FEEDLO CC[C@@H]1CCC[C@@H]1NC(=O)NC[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000329982714 554043358 /nfs/dbraw/zinc/04/33/58/554043358.db2.gz PCFYYQGGFWWBHU-UGUYLWEFSA-N 1 2 351.470 2.415 20 30 FEEDLO Cc1cc(CN2C[C@@H](F)C[C@H]2CNC(=O)[C@H]2CCn3c[nH+]cc3C2)on1 ZINC000329988782 554045204 /nfs/dbraw/zinc/04/52/04/554045204.db2.gz UQYLSQNPPRDUEG-DZKIICNBSA-N 1 2 361.421 2.311 20 30 FEEDLO C[C@H](NC(=O)NC[C@@H]1CCC2(CCCCC2)O1)[C@H](C)[NH+]1CCOCC1 ZINC000330082575 554061964 /nfs/dbraw/zinc/06/19/64/554061964.db2.gz HCCVWUQBJRTRMV-ULQDDVLXSA-N 1 2 353.507 2.481 20 30 FEEDLO Cc1cccc2[nH+]c(CNC(=O)[C@H](C)S(=O)(=O)C3CCOCC3)cn21 ZINC000330086894 554062401 /nfs/dbraw/zinc/06/24/01/554062401.db2.gz SNAOJVDPQUFEDE-ZDUSSCGKSA-N 1 2 365.455 2.082 20 30 FEEDLO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)NCC2CC(F)(F)C2)CC1 ZINC000330235807 554090236 /nfs/dbraw/zinc/09/02/36/554090236.db2.gz YYRZHJCMPJCABL-UHFFFAOYSA-N 1 2 355.433 2.114 20 30 FEEDLO C[C@H](NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)c1nncn1C ZINC000330320964 554104969 /nfs/dbraw/zinc/10/49/69/554104969.db2.gz FOUFCRPABNTPIC-ZDUSSCGKSA-N 1 2 357.462 2.203 20 30 FEEDLO Cc1ccc(NC(=O)NC(=O)C[N@@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)c(C)c1 ZINC000330670986 554154792 /nfs/dbraw/zinc/15/47/92/554154792.db2.gz DWNOZYHATWRGAP-HIFRSBDPSA-N 1 2 373.375 2.353 20 30 FEEDLO Cc1ccc(NC(=O)NC(=O)C[N@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)c(C)c1 ZINC000330670986 554154793 /nfs/dbraw/zinc/15/47/93/554154793.db2.gz DWNOZYHATWRGAP-HIFRSBDPSA-N 1 2 373.375 2.353 20 30 FEEDLO CC(C)CNC(=O)N1CCC[C@H](C(=O)NCc2ccc(N(C)C)[nH+]c2)C1 ZINC000330902768 554185625 /nfs/dbraw/zinc/18/56/25/554185625.db2.gz LFXVAAYHEYGHOM-INIZCTEOSA-N 1 2 361.490 2.046 20 30 FEEDLO CN(C1CC[NH+](Cc2ccc(C#N)cc2OC(F)F)CC1)S(C)(=O)=O ZINC000331231595 554233994 /nfs/dbraw/zinc/23/39/94/554233994.db2.gz ISYOLLSXBVBDJQ-UHFFFAOYSA-N 1 2 373.425 2.015 20 30 FEEDLO C=CCn1c(-c2ccccc2C)nnc1N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000508808503 561773622 /nfs/dbraw/zinc/77/36/22/561773622.db2.gz HILWTYPEOQSWMO-KRWDZBQOSA-N 1 2 353.470 2.350 20 30 FEEDLO CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000331304773 554244893 /nfs/dbraw/zinc/24/48/93/554244893.db2.gz UPJWTZWZWJVHNT-UWVGGRQHSA-N 1 2 361.368 2.047 20 30 FEEDLO CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000331304773 554244894 /nfs/dbraw/zinc/24/48/94/554244894.db2.gz UPJWTZWZWJVHNT-UWVGGRQHSA-N 1 2 361.368 2.047 20 30 FEEDLO N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000509425558 561798964 /nfs/dbraw/zinc/79/89/64/561798964.db2.gz WWNHGWITNWMOIJ-INIZCTEOSA-N 1 2 357.845 2.405 20 30 FEEDLO C[C@H]1CCC[C@@H](NC(=O)CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000332001346 554360977 /nfs/dbraw/zinc/36/09/77/554360977.db2.gz RGTJPVJPQIYKRS-FXAWDEMLSA-N 1 2 354.498 2.371 20 30 FEEDLO CN(CCC#N)C(=O)CC[N@H+](C)[C@H](c1ccc(F)cc1)c1ncccn1 ZINC000360809468 554890526 /nfs/dbraw/zinc/89/05/26/554890526.db2.gz HFDZHCHIMUYBAM-GOSISDBHSA-N 1 2 355.417 2.399 20 30 FEEDLO CN(CCC#N)C(=O)CC[N@@H+](C)[C@H](c1ccc(F)cc1)c1ncccn1 ZINC000360809468 554890527 /nfs/dbraw/zinc/89/05/27/554890527.db2.gz HFDZHCHIMUYBAM-GOSISDBHSA-N 1 2 355.417 2.399 20 30 FEEDLO N#Cc1ccc(CN2CC[N@@H+](C[C@H](O)c3ccc(F)cc3)CC2=O)cc1 ZINC000361049902 554902512 /nfs/dbraw/zinc/90/25/12/554902512.db2.gz SUSMGYIANWWOJT-IBGZPJMESA-N 1 2 353.397 2.075 20 30 FEEDLO N#Cc1ccc(CN2CC[N@H+](C[C@H](O)c3ccc(F)cc3)CC2=O)cc1 ZINC000361049902 554902513 /nfs/dbraw/zinc/90/25/13/554902513.db2.gz SUSMGYIANWWOJT-IBGZPJMESA-N 1 2 353.397 2.075 20 30 FEEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CCC[C@@H](C(=O)Nc3nccs3)C2)c1 ZINC000363023944 555012707 /nfs/dbraw/zinc/01/27/07/555012707.db2.gz XXSLSLDCCFCJDD-CQSZACIVSA-N 1 2 369.450 2.304 20 30 FEEDLO N#Cc1cccc(NC(=O)C[N@H+]2CCC[C@@H](C(=O)Nc3nccs3)C2)c1 ZINC000363023944 555012709 /nfs/dbraw/zinc/01/27/09/555012709.db2.gz XXSLSLDCCFCJDD-CQSZACIVSA-N 1 2 369.450 2.304 20 30 FEEDLO N#Cc1ccc(OCC(=O)NC2CC[NH+](Cc3cscn3)CC2)cc1 ZINC000363333645 555079959 /nfs/dbraw/zinc/07/99/59/555079959.db2.gz LWORIEXASXUUBS-UHFFFAOYSA-N 1 2 356.451 2.174 20 30 FEEDLO N#Cc1ccc(NC(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)cc1Cl ZINC000363372994 555088291 /nfs/dbraw/zinc/08/82/91/555088291.db2.gz ZWOQBPOMLHLYEU-UHFFFAOYSA-N 1 2 371.828 2.042 20 30 FEEDLO COc1ccccc1CC(=O)N1CCC[N@H+](C[C@@H](C#N)CCC#N)CC1 ZINC000364022491 555235148 /nfs/dbraw/zinc/23/51/48/555235148.db2.gz OFZQGVGYTBCIOJ-QGZVFWFLSA-N 1 2 354.454 2.216 20 30 FEEDLO COc1ccccc1CC(=O)N1CCC[N@@H+](C[C@@H](C#N)CCC#N)CC1 ZINC000364022491 555235149 /nfs/dbraw/zinc/23/51/49/555235149.db2.gz OFZQGVGYTBCIOJ-QGZVFWFLSA-N 1 2 354.454 2.216 20 30 FEEDLO C=C(C)C[N@H+](CC(=O)NC(=O)Nc1ccccc1)Cc1ccc(CO)o1 ZINC000512229592 561896707 /nfs/dbraw/zinc/89/67/07/561896707.db2.gz RFBGQPGGFMTGDD-UHFFFAOYSA-N 1 2 357.410 2.498 20 30 FEEDLO C=C(C)C[N@@H+](CC(=O)NC(=O)Nc1ccccc1)Cc1ccc(CO)o1 ZINC000512229592 561896708 /nfs/dbraw/zinc/89/67/08/561896708.db2.gz RFBGQPGGFMTGDD-UHFFFAOYSA-N 1 2 357.410 2.498 20 30 FEEDLO Cn1cc(C#N)c(=NC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)[nH]1 ZINC000615979571 555260987 /nfs/dbraw/zinc/26/09/87/555260987.db2.gz GOXDBRRMINUWAM-HUUCEWRRSA-N 1 2 360.368 2.137 20 30 FEEDLO Cn1cc(C#N)c(=NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)[nH]1 ZINC000615979571 555260989 /nfs/dbraw/zinc/26/09/89/555260989.db2.gz GOXDBRRMINUWAM-HUUCEWRRSA-N 1 2 360.368 2.137 20 30 FEEDLO CC(C)(C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1)c1cc(F)cc(C#N)c1 ZINC000512277546 561898192 /nfs/dbraw/zinc/89/81/92/561898192.db2.gz MCXLCQKHXKKOSN-UHFFFAOYSA-N 1 2 355.417 2.042 20 30 FEEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CCCN(c2ncccc2C(N)=O)CC1 ZINC000364362884 555299410 /nfs/dbraw/zinc/29/94/10/555299410.db2.gz WZVLBXQNPKVFAN-UHFFFAOYSA-N 1 2 369.856 2.418 20 30 FEEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CCCN(c2ncccc2C(N)=O)CC1 ZINC000364362884 555299411 /nfs/dbraw/zinc/29/94/11/555299411.db2.gz WZVLBXQNPKVFAN-UHFFFAOYSA-N 1 2 369.856 2.418 20 30 FEEDLO N#Cc1ccc(CN2CC[N@@H+](CCC(=O)Nc3ccccc3)CC2=O)cc1 ZINC000364679025 555372494 /nfs/dbraw/zinc/37/24/94/555372494.db2.gz QVVJTCIQHDEOTN-UHFFFAOYSA-N 1 2 362.433 2.231 20 30 FEEDLO N#Cc1ccc(CN2CC[N@H+](CCC(=O)Nc3ccccc3)CC2=O)cc1 ZINC000364679025 555372495 /nfs/dbraw/zinc/37/24/95/555372495.db2.gz QVVJTCIQHDEOTN-UHFFFAOYSA-N 1 2 362.433 2.231 20 30 FEEDLO CCn1nc2c(cc1=O)C[N@@H+](Cc1ccc(C#N)cc1Br)CC2 ZINC000364856669 555416629 /nfs/dbraw/zinc/41/66/29/555416629.db2.gz AHLXUMLKJSXMBI-UHFFFAOYSA-N 1 2 373.254 2.456 20 30 FEEDLO CCn1nc2c(cc1=O)C[N@H+](Cc1ccc(C#N)cc1Br)CC2 ZINC000364856669 555416633 /nfs/dbraw/zinc/41/66/33/555416633.db2.gz AHLXUMLKJSXMBI-UHFFFAOYSA-N 1 2 373.254 2.456 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1Cc2ccccc2[C@H](n2cccn2)C1 ZINC000365421505 555570640 /nfs/dbraw/zinc/57/06/40/555570640.db2.gz PRBVUUVHQIEIBC-UYAOXDASSA-N 1 2 351.454 2.343 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1Cc2ccccc2[C@H](n2cccn2)C1 ZINC000365421505 555570642 /nfs/dbraw/zinc/57/06/42/555570642.db2.gz PRBVUUVHQIEIBC-UYAOXDASSA-N 1 2 351.454 2.343 20 30 FEEDLO COc1cc(C#N)ccc1OCC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000365637531 555628640 /nfs/dbraw/zinc/62/86/40/555628640.db2.gz UYXZTSHVJDFTQW-OAHLLOKOSA-N 1 2 354.410 2.085 20 30 FEEDLO Cc1n[nH]c(C2CC[NH+](CC(=O)Nc3cc(Cl)ccc3C#N)CC2)n1 ZINC000365826568 555676711 /nfs/dbraw/zinc/67/67/11/555676711.db2.gz VKUALFOHCSMIRK-UHFFFAOYSA-N 1 2 358.833 2.456 20 30 FEEDLO Cc1nc(C2CC[NH+](CC(=O)Nc3cc(Cl)ccc3C#N)CC2)n[nH]1 ZINC000365826568 555676712 /nfs/dbraw/zinc/67/67/12/555676712.db2.gz VKUALFOHCSMIRK-UHFFFAOYSA-N 1 2 358.833 2.456 20 30 FEEDLO C#CCn1ccc(CN(CC)C(=O)[C@@H]2CCCN(c3cccc[nH+]3)C2)n1 ZINC000366087104 555747605 /nfs/dbraw/zinc/74/76/05/555747605.db2.gz QWXWZCQOCNFLIT-QGZVFWFLSA-N 1 2 351.454 2.176 20 30 FEEDLO C[C@H](C(=O)Nc1ccccc1Cl)[NH+]1CCC(n2cnc(C#N)n2)CC1 ZINC000366343053 555816882 /nfs/dbraw/zinc/81/68/82/555816882.db2.gz YTPNJPUAZZNRLG-GFCCVEGCSA-N 1 2 358.833 2.467 20 30 FEEDLO Cc1c(C#N)cccc1NC(=O)N1CCC[N@H+](CC(=O)NC(C)(C)C)CC1 ZINC000366548055 555873814 /nfs/dbraw/zinc/87/38/14/555873814.db2.gz XHZXMUNFWRNFBY-UHFFFAOYSA-N 1 2 371.485 2.321 20 30 FEEDLO Cc1c(C#N)cccc1NC(=O)N1CCC[N@@H+](CC(=O)NC(C)(C)C)CC1 ZINC000366548055 555873816 /nfs/dbraw/zinc/87/38/16/555873816.db2.gz XHZXMUNFWRNFBY-UHFFFAOYSA-N 1 2 371.485 2.321 20 30 FEEDLO Cc1nc(C[N@@H+](C)[C@H]2CCCN(C(=O)NCC3(CC#N)CC3)CC2)no1 ZINC000366794807 555935845 /nfs/dbraw/zinc/93/58/45/555935845.db2.gz HROLTPVESJKCTK-HNNXBMFYSA-N 1 2 360.462 2.068 20 30 FEEDLO Cc1nc(C[N@H+](C)[C@H]2CCCN(C(=O)NCC3(CC#N)CC3)CC2)no1 ZINC000366794807 555935847 /nfs/dbraw/zinc/93/58/47/555935847.db2.gz HROLTPVESJKCTK-HNNXBMFYSA-N 1 2 360.462 2.068 20 30 FEEDLO C#CCCS(=O)(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000367455461 556054756 /nfs/dbraw/zinc/05/47/56/556054756.db2.gz GTMIIDSFUPWWCD-IAGOWNOFSA-N 1 2 356.438 2.431 20 30 FEEDLO C#CCCS(=O)(=O)N[C@@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000367455461 556054759 /nfs/dbraw/zinc/05/47/59/556054759.db2.gz GTMIIDSFUPWWCD-IAGOWNOFSA-N 1 2 356.438 2.431 20 30 FEEDLO Cc1ccc(C#N)cc1NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C ZINC000514791065 561979986 /nfs/dbraw/zinc/97/99/86/561979986.db2.gz CMJSBSRLLPTQHJ-KRWDZBQOSA-N 1 2 353.426 2.302 20 30 FEEDLO Cc1ccc(C#N)cc1NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C ZINC000514791065 561979988 /nfs/dbraw/zinc/97/99/88/561979988.db2.gz CMJSBSRLLPTQHJ-KRWDZBQOSA-N 1 2 353.426 2.302 20 30 FEEDLO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@]23CCNC3=O)ccc1Cl ZINC000514795844 561980233 /nfs/dbraw/zinc/98/02/33/561980233.db2.gz FJYOGQPSMODPCZ-LJQANCHMSA-N 1 2 374.872 2.250 20 30 FEEDLO Cc1cc(N(CCC#N)C(=O)C[N@H+]2CCC[C@]23CCNC3=O)ccc1Cl ZINC000514795844 561980234 /nfs/dbraw/zinc/98/02/34/561980234.db2.gz FJYOGQPSMODPCZ-LJQANCHMSA-N 1 2 374.872 2.250 20 30 FEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](CCOC)[C@H]1CCCc2cccnc21 ZINC000368373062 556290199 /nfs/dbraw/zinc/29/01/99/556290199.db2.gz AVGUVJOVOQNLDP-WMZOPIPTSA-N 1 2 358.486 2.416 20 30 FEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](CCOC)[C@H]1CCCc2cccnc21 ZINC000368373062 556290209 /nfs/dbraw/zinc/29/02/09/556290209.db2.gz AVGUVJOVOQNLDP-WMZOPIPTSA-N 1 2 358.486 2.416 20 30 FEEDLO C[C@@H]1CC[N@@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C[C@H]1C(=O)OC(C)(C)C ZINC000515350500 562006538 /nfs/dbraw/zinc/00/65/38/562006538.db2.gz OIFHAQJRRVJIPO-XYPHTWIQSA-N 1 2 357.454 2.384 20 30 FEEDLO C[C@@H]1CC[N@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C[C@H]1C(=O)OC(C)(C)C ZINC000515350500 562006539 /nfs/dbraw/zinc/00/65/39/562006539.db2.gz OIFHAQJRRVJIPO-XYPHTWIQSA-N 1 2 357.454 2.384 20 30 FEEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CCC[C@@H](N3CCCCC3=O)C2)C1=O ZINC000368542517 556340361 /nfs/dbraw/zinc/34/03/61/556340361.db2.gz GWZZQBSGVZWDBR-CVEARBPZSA-N 1 2 372.494 2.202 20 30 FEEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CCC[C@@H](N3CCCCC3=O)C2)C1=O ZINC000368542517 556340363 /nfs/dbraw/zinc/34/03/63/556340363.db2.gz GWZZQBSGVZWDBR-CVEARBPZSA-N 1 2 372.494 2.202 20 30 FEEDLO N#Cc1cccc(CNC(=O)C[N@H+]2CCC[C@H](Oc3ncccc3F)C2)c1 ZINC000369647863 556657819 /nfs/dbraw/zinc/65/78/19/556657819.db2.gz MITFZKPKVLWXPW-KRWDZBQOSA-N 1 2 368.412 2.252 20 30 FEEDLO N#Cc1cccc(CNC(=O)C[N@@H+]2CCC[C@H](Oc3ncccc3F)C2)c1 ZINC000369647863 556657821 /nfs/dbraw/zinc/65/78/21/556657821.db2.gz MITFZKPKVLWXPW-KRWDZBQOSA-N 1 2 368.412 2.252 20 30 FEEDLO Cc1cnn(C2CC[NH+](CCS(=O)(=O)c3ccc(C#N)cc3)CC2)c1 ZINC000370025876 556760586 /nfs/dbraw/zinc/76/05/86/556760586.db2.gz HNLVRNQULWWRRR-UHFFFAOYSA-N 1 2 358.467 2.174 20 30 FEEDLO N#Cc1ncn(C2CC[NH+](Cc3nc(-c4ccccc4F)no3)CC2)n1 ZINC000370132010 556789288 /nfs/dbraw/zinc/78/92/88/556789288.db2.gz MKWITPXOVMUSJV-UHFFFAOYSA-N 1 2 353.361 2.176 20 30 FEEDLO N#Cc1ccc(Cl)c(S(=O)(=O)NCCc2cn3c([nH+]2)CCCC3)c1 ZINC000370437761 556873317 /nfs/dbraw/zinc/87/33/17/556873317.db2.gz ACSOSHJTMNAWRH-UHFFFAOYSA-N 1 2 364.858 2.265 20 30 FEEDLO N#Cc1ccc(SCC(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)cc1 ZINC000370545711 556904814 /nfs/dbraw/zinc/90/48/14/556904814.db2.gz HLZASLKUYLWADY-ZWKOTPCHSA-N 1 2 359.495 2.410 20 30 FEEDLO CSc1nc(C2CC2)cc(C(=O)N[C@H](C)C[NH+]2CCOCC2)c1C#N ZINC000517084551 562075087 /nfs/dbraw/zinc/07/50/87/562075087.db2.gz FRFGCENXJWNWHQ-GFCCVEGCSA-N 1 2 360.483 2.003 20 30 FEEDLO COc1cc(C#N)ccc1OCCCC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000371279479 557129267 /nfs/dbraw/zinc/12/92/67/557129267.db2.gz ISZQWDFZXWIXRD-AWEZNQCLSA-N 1 2 354.410 2.123 20 30 FEEDLO COc1cc(C#N)ccc1OCCCC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000371279479 557129268 /nfs/dbraw/zinc/12/92/68/557129268.db2.gz ISZQWDFZXWIXRD-AWEZNQCLSA-N 1 2 354.410 2.123 20 30 FEEDLO Cc1noc(C2(C)CC[NH+](CCS(=O)(=O)c3ccc(C#N)cc3)CC2)n1 ZINC000371575165 557227755 /nfs/dbraw/zinc/22/77/55/557227755.db2.gz ZMMODWHOJMOBDK-UHFFFAOYSA-N 1 2 374.466 2.077 20 30 FEEDLO C=C1CC[NH+]([C@@H](C)C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)CC1 ZINC000518678423 562116331 /nfs/dbraw/zinc/11/63/31/562116331.db2.gz UGFFCRUGHVLXBT-NSHDSACASA-N 1 2 355.360 2.199 20 30 FEEDLO C=C[C@@H](CC(=O)N1CC[NH+]([C@H]2CCCCNC2=O)CC1)c1ccccc1 ZINC000372289488 557430841 /nfs/dbraw/zinc/43/08/41/557430841.db2.gz ZNUJXABBDGGJHN-HKUYNNGSSA-N 1 2 355.482 2.159 20 30 FEEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCC[C@H]([N@H+](C)Cc2noc(C)n2)CC1 ZINC000373344358 557676146 /nfs/dbraw/zinc/67/61/46/557676146.db2.gz MVXCRSGMEFSUPG-LZLYRXPVSA-N 1 2 362.474 2.172 20 30 FEEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCC[C@H]([N@@H+](C)Cc2noc(C)n2)CC1 ZINC000373344358 557676147 /nfs/dbraw/zinc/67/61/47/557676147.db2.gz MVXCRSGMEFSUPG-LZLYRXPVSA-N 1 2 362.474 2.172 20 30 FEEDLO Cc1ccc(NC(=O)C[NH+]2CCC(n3cnc(C#N)n3)CC2)c(Cl)c1 ZINC000373401281 557687081 /nfs/dbraw/zinc/68/70/81/557687081.db2.gz WPCZMRCHIALHKA-UHFFFAOYSA-N 1 2 358.833 2.387 20 30 FEEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC(C)(C)O[C@@]2(CCCOC2)C1 ZINC000373797038 557761132 /nfs/dbraw/zinc/76/11/32/557761132.db2.gz MJFHVMDWIIBDPV-JXFKEZNVSA-N 1 2 363.502 2.378 20 30 FEEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC(C)(C)O[C@@]2(CCCOC2)C1 ZINC000373797038 557761135 /nfs/dbraw/zinc/76/11/35/557761135.db2.gz MJFHVMDWIIBDPV-JXFKEZNVSA-N 1 2 363.502 2.378 20 30 FEEDLO C[C@@H]1C[N@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@]2(CCCOC2)O1 ZINC000373811431 557764493 /nfs/dbraw/zinc/76/44/93/557764493.db2.gz MCZZYISQJAZFCU-ACJLOTCBSA-N 1 2 363.845 2.420 20 30 FEEDLO C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@]2(CCCOC2)O1 ZINC000373811431 557764495 /nfs/dbraw/zinc/76/44/95/557764495.db2.gz MCZZYISQJAZFCU-ACJLOTCBSA-N 1 2 363.845 2.420 20 30 FEEDLO Cc1cccc2[nH+]c(CN3C[C@H](C#N)[C@]4(C3)c3ccccc3NC4=O)cn21 ZINC000374355772 557870723 /nfs/dbraw/zinc/87/07/23/557870723.db2.gz ZNPCGICUQNJOHL-YCRPNKLZSA-N 1 2 357.417 2.488 20 30 FEEDLO CN(C)C(=O)[C@H](c1ccccc1)[N@@H+]1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000374368594 557873063 /nfs/dbraw/zinc/87/30/63/557873063.db2.gz VNORVVBMLGCXRZ-BPXKWBHBSA-N 1 2 374.444 2.161 20 30 FEEDLO CN(C)C(=O)[C@H](c1ccccc1)[N@H+]1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000374368594 557873064 /nfs/dbraw/zinc/87/30/64/557873064.db2.gz VNORVVBMLGCXRZ-BPXKWBHBSA-N 1 2 374.444 2.161 20 30 FEEDLO C=CCc1ccc(OCC(=O)N2CC[NH2+][C@@H](c3cccnc3)C2)c(OC)c1 ZINC000374383847 557875891 /nfs/dbraw/zinc/87/58/91/557875891.db2.gz GPAFAMBFEDUHAZ-GOSISDBHSA-N 1 2 367.449 2.371 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Nc1cccc2c1OCCC2 ZINC000374554684 557898874 /nfs/dbraw/zinc/89/88/74/557898874.db2.gz VDQKQJJXSYVGAM-UHFFFAOYSA-N 1 2 358.442 2.091 20 30 FEEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@@H](c2nc(N(C)C)no2)C1 ZINC000374566334 557900652 /nfs/dbraw/zinc/90/06/52/557900652.db2.gz OGCRTJUEWPIIDJ-UKRRQHHQSA-N 1 2 368.441 2.214 20 30 FEEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@@H](c2nc(N(C)C)no2)C1 ZINC000374566334 557900653 /nfs/dbraw/zinc/90/06/53/557900653.db2.gz OGCRTJUEWPIIDJ-UKRRQHHQSA-N 1 2 368.441 2.214 20 30 FEEDLO CSc1cccc(NC(=O)C[NH+]2CCN(c3ccc(C#N)nc3)CC2)c1 ZINC000374571699 557901074 /nfs/dbraw/zinc/90/10/74/557901074.db2.gz RUBREFOTBTYIEF-UHFFFAOYSA-N 1 2 367.478 2.436 20 30 FEEDLO C=CCCCS(=O)(=O)N[C@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000521522411 562178003 /nfs/dbraw/zinc/17/80/03/562178003.db2.gz KVHRTKZTICCMMO-SJLPKXTDSA-N 1 2 352.500 2.162 20 30 FEEDLO C=CCCCS(=O)(=O)N[C@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000521522411 562178004 /nfs/dbraw/zinc/17/80/04/562178004.db2.gz KVHRTKZTICCMMO-SJLPKXTDSA-N 1 2 352.500 2.162 20 30 FEEDLO Cc1[nH+]c2n(c1CN1CCN(C(=O)c3cc(C#N)oc3C)CC1)CCCC2 ZINC000375630801 558059444 /nfs/dbraw/zinc/05/94/44/558059444.db2.gz VBRLEZRGSSQDPY-UHFFFAOYSA-N 1 2 367.453 2.259 20 30 FEEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000375920726 558100004 /nfs/dbraw/zinc/10/00/04/558100004.db2.gz OIPPRUQNNZSCIE-LIRRHRJNSA-N 1 2 372.494 2.089 20 30 FEEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000375920726 558100005 /nfs/dbraw/zinc/10/00/05/558100005.db2.gz OIPPRUQNNZSCIE-LIRRHRJNSA-N 1 2 372.494 2.089 20 30 FEEDLO Cc1ccccc1Cc1noc(C[NH+]2CCC(n3cnc(C#N)n3)CC2)n1 ZINC000375921869 558100135 /nfs/dbraw/zinc/10/01/35/558100135.db2.gz SSZCCNAIRWMRLQ-UHFFFAOYSA-N 1 2 363.425 2.269 20 30 FEEDLO N#CC1(NC(=O)C[NH+]2CCC(C#N)(c3ccccn3)CC2)CCCCC1 ZINC000376596897 558195561 /nfs/dbraw/zinc/19/55/61/558195561.db2.gz XPSPAWGZCYAPEN-UHFFFAOYSA-N 1 2 351.454 2.281 20 30 FEEDLO N#Cc1cc(F)c(N2CCC(C(=O)NCCn3cc[nH+]c3)CC2)c(F)c1 ZINC000376627389 558199593 /nfs/dbraw/zinc/19/95/93/558199593.db2.gz KMQDCEQRQPHUES-UHFFFAOYSA-N 1 2 359.380 2.066 20 30 FEEDLO C=CC[C@H](CO)NC(=O)N[C@@H]1CC[N@@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000376837110 558227914 /nfs/dbraw/zinc/22/79/14/558227914.db2.gz RLRVXGNIRFADAH-VMGRFDJRSA-N 1 2 371.403 2.475 20 30 FEEDLO C=CC[C@H](CO)NC(=O)N[C@@H]1CC[N@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000376837110 558227916 /nfs/dbraw/zinc/22/79/16/558227916.db2.gz RLRVXGNIRFADAH-VMGRFDJRSA-N 1 2 371.403 2.475 20 30 FEEDLO C=CCCCC(=O)N1CC[NH+]([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000377122311 558271108 /nfs/dbraw/zinc/27/11/08/558271108.db2.gz DUTTZKOEJSOHET-INIZCTEOSA-N 1 2 351.491 2.496 20 30 FEEDLO N#Cc1ccc(NC(=O)C[N@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(N)=O)cc1Cl ZINC000377169070 558281040 /nfs/dbraw/zinc/28/10/40/558281040.db2.gz SZMIMFKRVGYLRV-XZJROXQQSA-N 1 2 360.845 2.269 20 30 FEEDLO N#Cc1ccc(NC(=O)C[N@@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(N)=O)cc1Cl ZINC000377169070 558281042 /nfs/dbraw/zinc/28/10/42/558281042.db2.gz SZMIMFKRVGYLRV-XZJROXQQSA-N 1 2 360.845 2.269 20 30 FEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCCN(C(=O)CC2CCCC2)CC1 ZINC000377584239 558371116 /nfs/dbraw/zinc/37/11/16/558371116.db2.gz PJXXLWJRVCNTIE-KRWDZBQOSA-N 1 2 362.518 2.109 20 30 FEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCCN(C(=O)CC2CCCC2)CC1 ZINC000377584239 558371118 /nfs/dbraw/zinc/37/11/18/558371118.db2.gz PJXXLWJRVCNTIE-KRWDZBQOSA-N 1 2 362.518 2.109 20 30 FEEDLO N#C[C@@H]1C[N@@H+](C[C@H](O)c2c(F)cccc2F)C[C@]12C(=O)Nc1ccccc12 ZINC000378258663 558513834 /nfs/dbraw/zinc/51/38/34/558513834.db2.gz JOZFQGUWKYGKRO-ZINOCKGTSA-N 1 2 369.371 2.344 20 30 FEEDLO N#C[C@@H]1C[N@H+](C[C@H](O)c2c(F)cccc2F)C[C@]12C(=O)Nc1ccccc12 ZINC000378258663 558513836 /nfs/dbraw/zinc/51/38/36/558513836.db2.gz JOZFQGUWKYGKRO-ZINOCKGTSA-N 1 2 369.371 2.344 20 30 FEEDLO COC(=O)c1oc(C[N@@H+]2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)cc1C ZINC000378285799 558520061 /nfs/dbraw/zinc/52/00/61/558520061.db2.gz HTTJRBUTRQRFEI-RNODOKPDSA-N 1 2 365.389 2.220 20 30 FEEDLO COC(=O)c1oc(C[N@H+]2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)cc1C ZINC000378285799 558520063 /nfs/dbraw/zinc/52/00/63/558520063.db2.gz HTTJRBUTRQRFEI-RNODOKPDSA-N 1 2 365.389 2.220 20 30 FEEDLO N#Cc1ccccc1NC(=O)CCCC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000378319949 558529335 /nfs/dbraw/zinc/52/93/35/558529335.db2.gz WXEOWTKXIZBKRK-CQSZACIVSA-N 1 2 351.410 2.064 20 30 FEEDLO N#Cc1ccccc1NC(=O)CCCC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000378319949 558529337 /nfs/dbraw/zinc/52/93/37/558529337.db2.gz WXEOWTKXIZBKRK-CQSZACIVSA-N 1 2 351.410 2.064 20 30 FEEDLO C=CCN1C(=O)c2ccc(C(=O)N3CCC(c4[nH]cc[nH+]4)CC3)cc2C1=O ZINC000523432063 562212958 /nfs/dbraw/zinc/21/29/58/562212958.db2.gz XXMIAODETDRHJC-UHFFFAOYSA-N 1 2 364.405 2.212 20 30 FEEDLO CCCC(=O)N1CCC[N@@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000378505402 558571726 /nfs/dbraw/zinc/57/17/26/558571726.db2.gz CIXQFCCNWTZFDQ-LJQANCHMSA-N 1 2 368.481 2.388 20 30 FEEDLO CCCC(=O)N1CCC[N@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000378505402 558571728 /nfs/dbraw/zinc/57/17/28/558571728.db2.gz CIXQFCCNWTZFDQ-LJQANCHMSA-N 1 2 368.481 2.388 20 30 FEEDLO CC[C@H]1CN(S(=O)(=O)N(CC)CCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000409500963 558698147 /nfs/dbraw/zinc/69/81/47/558698147.db2.gz PWWQEJQDPHXHBI-SFHVURJKSA-N 1 2 364.515 2.063 20 30 FEEDLO CC[C@H]1CN(S(=O)(=O)N(CC)CCC#N)CC[N@H+]1Cc1ccccc1 ZINC000409500963 558698150 /nfs/dbraw/zinc/69/81/50/558698150.db2.gz PWWQEJQDPHXHBI-SFHVURJKSA-N 1 2 364.515 2.063 20 30 FEEDLO CC[C@@H]1CN(S(=O)(=O)N(CC)CCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000409500962 558698215 /nfs/dbraw/zinc/69/82/15/558698215.db2.gz PWWQEJQDPHXHBI-GOSISDBHSA-N 1 2 364.515 2.063 20 30 FEEDLO CC[C@@H]1CN(S(=O)(=O)N(CC)CCC#N)CC[N@H+]1Cc1ccccc1 ZINC000409500962 558698216 /nfs/dbraw/zinc/69/82/16/558698216.db2.gz PWWQEJQDPHXHBI-GOSISDBHSA-N 1 2 364.515 2.063 20 30 FEEDLO CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000409554944 558702945 /nfs/dbraw/zinc/70/29/45/558702945.db2.gz RAOGOBJEVNNCOB-CZUORRHYSA-N 1 2 372.922 2.259 20 30 FEEDLO C=CCN(CC1CCCCC1)C(=O)C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000410564140 558778379 /nfs/dbraw/zinc/77/83/79/558778379.db2.gz UUGOZOOKLSHYKQ-KRWDZBQOSA-N 1 2 358.486 2.331 20 30 FEEDLO C=C(C)CN(C)C(=O)C(=O)N(C)C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000410814396 558813561 /nfs/dbraw/zinc/81/35/61/558813561.db2.gz ROCZCGAVRWDYHF-GJZGRUSLSA-N 1 2 367.490 2.153 20 30 FEEDLO C=C(C)CN(C)C(=O)C(=O)N(C)C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000410814396 558813562 /nfs/dbraw/zinc/81/35/62/558813562.db2.gz ROCZCGAVRWDYHF-GJZGRUSLSA-N 1 2 367.490 2.153 20 30 FEEDLO Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1cccc2[nH+]ccn21 ZINC000525105968 562240587 /nfs/dbraw/zinc/24/05/87/562240587.db2.gz DWIBMIDGRKNHPY-UHFFFAOYSA-N 1 2 359.393 2.437 20 30 FEEDLO C=CC[N@H+](Cc1cc(Br)ccc1F)[C@H](C)C(=O)NC(N)=O ZINC000411229494 558857002 /nfs/dbraw/zinc/85/70/02/558857002.db2.gz XKZGVMOQNZPRTN-SECBINFHSA-N 1 2 358.211 2.160 20 30 FEEDLO C=CC[N@@H+](Cc1cc(Br)ccc1F)[C@H](C)C(=O)NC(N)=O ZINC000411229494 558857005 /nfs/dbraw/zinc/85/70/05/558857005.db2.gz XKZGVMOQNZPRTN-SECBINFHSA-N 1 2 358.211 2.160 20 30 FEEDLO N#Cc1cccc(NC(=O)CC[N@@H+]2CCOC[C@@H]2CC(=O)c2ccco2)c1 ZINC000411600042 558927057 /nfs/dbraw/zinc/92/70/57/558927057.db2.gz DEACYDRQYJMJIK-KRWDZBQOSA-N 1 2 367.405 2.454 20 30 FEEDLO N#Cc1cccc(NC(=O)CC[N@H+]2CCOC[C@@H]2CC(=O)c2ccco2)c1 ZINC000411600042 558927060 /nfs/dbraw/zinc/92/70/60/558927060.db2.gz DEACYDRQYJMJIK-KRWDZBQOSA-N 1 2 367.405 2.454 20 30 FEEDLO COC[C@@H]1C[C@H](O)C[N@@H+]1CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000411915353 558987262 /nfs/dbraw/zinc/98/72/62/558987262.db2.gz WFTYKARGJUIANC-ILXRZTDVSA-N 1 2 363.483 2.101 20 30 FEEDLO COC[C@@H]1C[C@H](O)C[N@H+]1CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000411915353 558987264 /nfs/dbraw/zinc/98/72/64/558987264.db2.gz WFTYKARGJUIANC-ILXRZTDVSA-N 1 2 363.483 2.101 20 30 FEEDLO N#CC1(NC(=O)C[N@H+]2CC=C(c3ccc4c(c3)OCCO4)CC2)CCC1 ZINC000525886667 562258678 /nfs/dbraw/zinc/25/86/78/562258678.db2.gz OWEYCZCEXPEXTD-UHFFFAOYSA-N 1 2 353.422 2.109 20 30 FEEDLO N#CC1(NC(=O)C[N@@H+]2CC=C(c3ccc4c(c3)OCCO4)CC2)CCC1 ZINC000525886667 562258679 /nfs/dbraw/zinc/25/86/79/562258679.db2.gz OWEYCZCEXPEXTD-UHFFFAOYSA-N 1 2 353.422 2.109 20 30 FEEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+](C)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000526055910 562265370 /nfs/dbraw/zinc/26/53/70/562265370.db2.gz IFAWEQOHFBWIRC-BBRMVZONSA-N 1 2 374.872 2.328 20 30 FEEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000526055910 562265371 /nfs/dbraw/zinc/26/53/71/562265371.db2.gz IFAWEQOHFBWIRC-BBRMVZONSA-N 1 2 374.872 2.328 20 30 FEEDLO N#Cc1cnc(NCc2cccc(OCC[NH+]3CCOCC3)c2)c(F)c1 ZINC000413086353 559076808 /nfs/dbraw/zinc/07/68/08/559076808.db2.gz RIJVETUBNQTEKH-UHFFFAOYSA-N 1 2 356.401 2.415 20 30 FEEDLO C=CCc1ccc(OCC(=O)NC(C)(C)C[NH+]2CCOCC2)c(OC)c1 ZINC000413963284 559143710 /nfs/dbraw/zinc/14/37/10/559143710.db2.gz CFOFHKKYFIPWSJ-UHFFFAOYSA-N 1 2 362.470 2.030 20 30 FEEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cccc2c1OC(F)(F)O2 ZINC000414409993 559162393 /nfs/dbraw/zinc/16/23/93/559162393.db2.gz NTMWFJFHNFYTNU-GFCCVEGCSA-N 1 2 373.363 2.380 20 30 FEEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cccc2c1OC(F)(F)O2 ZINC000414409993 559162394 /nfs/dbraw/zinc/16/23/94/559162394.db2.gz NTMWFJFHNFYTNU-GFCCVEGCSA-N 1 2 373.363 2.380 20 30 FEEDLO C=C(C)Cn1c(-c2ncccn2)nnc1N1CC[NH+](Cc2ccco2)CC1 ZINC000417489273 559364336 /nfs/dbraw/zinc/36/43/36/559364336.db2.gz BKEDZOBQLXSSNV-UHFFFAOYSA-N 1 2 365.441 2.226 20 30 FEEDLO CN(C)C(=O)c1ccccc1C[N@@H+]1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000417788882 559376473 /nfs/dbraw/zinc/37/64/73/559376473.db2.gz GFJFLMGJLTXPOM-AOMKIAJQSA-N 1 2 374.444 2.234 20 30 FEEDLO CN(C)C(=O)c1ccccc1C[N@H+]1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000417788882 559376474 /nfs/dbraw/zinc/37/64/74/559376474.db2.gz GFJFLMGJLTXPOM-AOMKIAJQSA-N 1 2 374.444 2.234 20 30 FEEDLO COC1(C(F)(F)F)CC[NH+](CC(=O)NCc2ccc(C#N)cc2)CC1 ZINC000419331755 559437573 /nfs/dbraw/zinc/43/75/73/559437573.db2.gz QUAUGMKBSGKICV-UHFFFAOYSA-N 1 2 355.360 2.218 20 30 FEEDLO COc1ccc2c(c1)OC(C)(C)C[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)C2 ZINC000421044625 559521604 /nfs/dbraw/zinc/52/16/04/559521604.db2.gz SSQCHSIQZSHYKI-FQEVSTJZSA-N 1 2 357.454 2.477 20 30 FEEDLO COc1ccc2c(c1)OC(C)(C)C[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)C2 ZINC000421044625 559521605 /nfs/dbraw/zinc/52/16/05/559521605.db2.gz SSQCHSIQZSHYKI-FQEVSTJZSA-N 1 2 357.454 2.477 20 30 FEEDLO C=C(C)Cn1c([C@H]2CCCS2)nnc1N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000424242184 559659104 /nfs/dbraw/zinc/65/91/04/559659104.db2.gz JIQCWESMAYYMPD-HZPDHXFCSA-N 1 2 363.531 2.333 20 30 FEEDLO Cc1ccc(S(=O)(=O)N2CCN(c3cc(C)[nH+]cc3C#N)CC2)cc1 ZINC000425204623 559691129 /nfs/dbraw/zinc/69/11/29/559691129.db2.gz UIBZCEPEJIMWEH-UHFFFAOYSA-N 1 2 356.451 2.081 20 30 FEEDLO C=CC[N@@H+](CC[C@H](C(=O)OC)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000425410934 559700783 /nfs/dbraw/zinc/70/07/83/559700783.db2.gz CEUBHMVALZMUMI-SJORKVTESA-N 1 2 351.468 2.008 20 30 FEEDLO C=CC[N@H+](CC[C@H](C(=O)OC)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000425410934 559700784 /nfs/dbraw/zinc/70/07/84/559700784.db2.gz CEUBHMVALZMUMI-SJORKVTESA-N 1 2 351.468 2.008 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000425465163 559703503 /nfs/dbraw/zinc/70/35/03/559703503.db2.gz MCVXWUOHCXBHQT-RCBQFDQVSA-N 1 2 353.413 2.458 20 30 FEEDLO C=CCCSc1nnc([C@@H](CC)[NH+](C)C)n1CCN1CCOCC1 ZINC000427106676 559747967 /nfs/dbraw/zinc/74/79/67/559747967.db2.gz FYSQNXHOYMHGPT-OAHLLOKOSA-N 1 2 353.536 2.291 20 30 FEEDLO C[NH+](C)[C@@H](CNS(=O)(=O)c1cccnc1C#N)c1ccccc1Cl ZINC000428249244 559772236 /nfs/dbraw/zinc/77/22/36/559772236.db2.gz UUPXVVRNKYTNTN-HNNXBMFYSA-N 1 2 364.858 2.188 20 30 FEEDLO CCC[N@H+](CC(N)=O)CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1 ZINC000429156804 559791935 /nfs/dbraw/zinc/79/19/35/559791935.db2.gz GLKOJIVNIWZIGD-UHFFFAOYSA-N 1 2 367.453 2.102 20 30 FEEDLO CCC[N@@H+](CC(N)=O)CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1 ZINC000429156804 559791936 /nfs/dbraw/zinc/79/19/36/559791936.db2.gz GLKOJIVNIWZIGD-UHFFFAOYSA-N 1 2 367.453 2.102 20 30 FEEDLO Cc1cc(C)c(C(=O)NC2CC[NH+](CC(=O)N[C@](C)(C#N)C(C)C)CC2)o1 ZINC000527575133 562295715 /nfs/dbraw/zinc/29/57/15/562295715.db2.gz CBUDXOPBFQTUMF-HXUWFJFHSA-N 1 2 374.485 2.145 20 30 FEEDLO CC(C)c1ncc2c(n1)CC[N@@H+](C[C@@H](O)COc1ccc(C#N)cc1)C2 ZINC000527620613 562298033 /nfs/dbraw/zinc/29/80/33/562298033.db2.gz WHAHEHSHEONJFA-QGZVFWFLSA-N 1 2 352.438 2.270 20 30 FEEDLO CC(C)c1ncc2c(n1)CC[N@H+](C[C@@H](O)COc1ccc(C#N)cc1)C2 ZINC000527620613 562298034 /nfs/dbraw/zinc/29/80/34/562298034.db2.gz WHAHEHSHEONJFA-QGZVFWFLSA-N 1 2 352.438 2.270 20 30 FEEDLO C[C@@]1(Br)C[C@@H]1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000527685596 562300223 /nfs/dbraw/zinc/30/02/23/562300223.db2.gz PHZCTHPIONWFKE-NVXWUHKLSA-N 1 2 362.271 2.376 20 30 FEEDLO Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)c2ccc(C#N)n2C)cc1 ZINC000448599970 560192213 /nfs/dbraw/zinc/19/22/13/560192213.db2.gz BEQDIDWOIHDSNP-GOSISDBHSA-N 1 2 352.438 2.009 20 30 FEEDLO CC1(C)C[N@H+](CCNC(=O)c2cccc(C#N)c2Br)CCO1 ZINC000448856809 560203232 /nfs/dbraw/zinc/20/32/32/560203232.db2.gz CIQNFOYJTKCRMQ-UHFFFAOYSA-N 1 2 366.259 2.161 20 30 FEEDLO CC1(C)C[N@@H+](CCNC(=O)c2cccc(C#N)c2Br)CCO1 ZINC000448856809 560203233 /nfs/dbraw/zinc/20/32/33/560203233.db2.gz CIQNFOYJTKCRMQ-UHFFFAOYSA-N 1 2 366.259 2.161 20 30 FEEDLO Cc1cccc(CC[NH+]2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 ZINC000449007332 560211650 /nfs/dbraw/zinc/21/16/50/560211650.db2.gz KVRFARXBRWMWTP-UHFFFAOYSA-N 1 2 369.490 2.416 20 30 FEEDLO COc1ccc(-n2cc(C[NH+]3CCN(c4cccc(C#N)n4)CC3)cn2)cc1 ZINC000449244691 560221657 /nfs/dbraw/zinc/22/16/57/560221657.db2.gz VCFZRWXZDPKAEH-UHFFFAOYSA-N 1 2 374.448 2.470 20 30 FEEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@](O)(C(F)F)C2)cc1 ZINC000451441383 560307280 /nfs/dbraw/zinc/30/72/80/560307280.db2.gz ROPVAEUNBHWOHP-SFHVURJKSA-N 1 2 367.396 2.034 20 30 FEEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CC[C@@](O)(C(F)F)C2)cc1 ZINC000451441383 560307281 /nfs/dbraw/zinc/30/72/81/560307281.db2.gz ROPVAEUNBHWOHP-SFHVURJKSA-N 1 2 367.396 2.034 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1nnc(C(=O)Nc2ccc(OC)cc2)s1 ZINC000451608363 560317123 /nfs/dbraw/zinc/31/71/23/560317123.db2.gz RXDODSQNLZRDJH-KGLIPLIRSA-N 1 2 360.439 2.232 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000455419387 560481563 /nfs/dbraw/zinc/48/15/63/560481563.db2.gz KEQCBAQCKIJZBX-ZRNYENFQSA-N 1 2 371.481 2.015 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000455419387 560481564 /nfs/dbraw/zinc/48/15/64/560481564.db2.gz KEQCBAQCKIJZBX-ZRNYENFQSA-N 1 2 371.481 2.015 20 30 FEEDLO C=CCC1(CNC(=O)N2CC[NH+]([C@H](C)C(=O)NC3CC3)CC2)CCCC1 ZINC000455469900 560483576 /nfs/dbraw/zinc/48/35/76/560483576.db2.gz ATZQHWGCABSGFG-MRXNPFEDSA-N 1 2 362.518 2.117 20 30 FEEDLO C=CCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(=O)OCC ZINC000456617817 560525901 /nfs/dbraw/zinc/52/59/01/560525901.db2.gz ZGGSSYAIDCDCJB-CQSZACIVSA-N 1 2 372.381 2.408 20 30 FEEDLO Cc1onc(CC(=O)Nc2ccc3c(c2)[nH+]c(C)n3[C@H](C)CO)c1C#N ZINC000456695743 560529491 /nfs/dbraw/zinc/52/94/91/560529491.db2.gz CJBJNFPIJHIFPK-SNVBAGLBSA-N 1 2 353.382 2.247 20 30 FEEDLO C[C@@H]1CN(c2ccc(CNC(=O)NCC(C)(C)CC#N)c[nH+]2)C[C@@H](C)O1 ZINC000457670342 560581009 /nfs/dbraw/zinc/58/10/09/560581009.db2.gz XONHUIWOZRBHMR-HUUCEWRRSA-N 1 2 359.474 2.434 20 30 FEEDLO C[C@H]([NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1ccn(C)n1 ZINC000459797022 560708996 /nfs/dbraw/zinc/70/89/96/560708996.db2.gz RTWGNUAXQZDWII-ZDUSSCGKSA-N 1 2 364.371 2.257 20 30 FEEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCN(C(=O)Cc2cccc(Cl)c2)[C@H](C)C1 ZINC000464762887 560850208 /nfs/dbraw/zinc/85/02/08/560850208.db2.gz YLGXBVPEIQYMOF-CABCVRRESA-N 1 2 363.889 2.106 20 30 FEEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCN(C(=O)Cc2cccc(Cl)c2)[C@H](C)C1 ZINC000464762887 560850209 /nfs/dbraw/zinc/85/02/09/560850209.db2.gz YLGXBVPEIQYMOF-CABCVRRESA-N 1 2 363.889 2.106 20 30 FEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1C[C@H](C2CCCCC2)C[C@H]1C(=O)OC ZINC000464819023 560852394 /nfs/dbraw/zinc/85/23/94/560852394.db2.gz AHAMQOKGMDBAHQ-NXHRZFHOSA-N 1 2 363.502 2.438 20 30 FEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1C[C@H](C2CCCCC2)C[C@H]1C(=O)OC ZINC000464819023 560852395 /nfs/dbraw/zinc/85/23/95/560852395.db2.gz AHAMQOKGMDBAHQ-NXHRZFHOSA-N 1 2 363.502 2.438 20 30 FEEDLO COc1ccccc1-c1noc([C@H](C)[NH2+][C@H](C)C(=O)NC2(C#N)CCC2)n1 ZINC000469021143 560944984 /nfs/dbraw/zinc/94/49/84/560944984.db2.gz OYXXTZHBXOAJKI-OLZOCXBDSA-N 1 2 369.425 2.347 20 30 FEEDLO CC(=O)c1ccccc1OCC[NH+]1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC000472158445 561019774 /nfs/dbraw/zinc/01/97/74/561019774.db2.gz PKCXUPTYGKOPPU-UHFFFAOYSA-N 1 2 367.453 2.004 20 30 FEEDLO N#Cc1ccccc1OC[C@@H](O)CN1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000528407533 562327356 /nfs/dbraw/zinc/32/73/56/562327356.db2.gz QHRFTBKZLLVJEX-FQEVSTJZSA-N 1 2 369.440 2.255 20 30 FEEDLO N#Cc1ccccc1OC[C@H](O)C[NH+]1CCN(c2ncccc2Cl)CC1 ZINC000528420125 562328336 /nfs/dbraw/zinc/32/83/36/562328336.db2.gz XXYKIOSKWZYIRJ-MRXNPFEDSA-N 1 2 372.856 2.169 20 30 FEEDLO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCO[C@@H](COc2ccccc2)C1 ZINC000528476977 562331319 /nfs/dbraw/zinc/33/13/19/562331319.db2.gz OEMAKXYRZWCGSB-UYAOXDASSA-N 1 2 368.433 2.078 20 30 FEEDLO N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCO[C@@H](COc2ccccc2)C1 ZINC000528476977 562331320 /nfs/dbraw/zinc/33/13/20/562331320.db2.gz OEMAKXYRZWCGSB-UYAOXDASSA-N 1 2 368.433 2.078 20 30 FEEDLO CCOC[C@@H]1C[N@H+](Cc2cn(CCC#N)nc2-c2ccncc2)CCO1 ZINC000529667485 562380373 /nfs/dbraw/zinc/38/03/73/562380373.db2.gz WWMXFTKWJHHTDZ-SFHVURJKSA-N 1 2 355.442 2.096 20 30 FEEDLO CCOC[C@@H]1C[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)CCO1 ZINC000529667485 562380374 /nfs/dbraw/zinc/38/03/74/562380374.db2.gz WWMXFTKWJHHTDZ-SFHVURJKSA-N 1 2 355.442 2.096 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CNc3cccc(F)c3)CC2)cc1 ZINC000531043096 562432795 /nfs/dbraw/zinc/43/27/95/562432795.db2.gz XNFTXUNSCVNLBX-UHFFFAOYSA-N 1 2 352.413 2.454 20 30 FEEDLO N#Cc1cccc(CC(=O)N2CCN(Cc3cn4ccccc4[nH+]3)CC2)c1 ZINC000531387863 562444314 /nfs/dbraw/zinc/44/43/14/562444314.db2.gz WGYZDZQAZOHDSK-UHFFFAOYSA-N 1 2 359.433 2.093 20 30 FEEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+](CCCO)Cc2ccccc2)c1 ZINC000532827474 562490112 /nfs/dbraw/zinc/49/01/12/562490112.db2.gz RSZSCBSXCOQPQH-UHFFFAOYSA-N 1 2 358.463 2.217 20 30 FEEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+](CCCO)Cc2ccccc2)c1 ZINC000532827474 562490113 /nfs/dbraw/zinc/49/01/13/562490113.db2.gz RSZSCBSXCOQPQH-UHFFFAOYSA-N 1 2 358.463 2.217 20 30 FEEDLO Cc1ccc(C#N)c(N2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)n1 ZINC000535036006 562548789 /nfs/dbraw/zinc/54/87/89/562548789.db2.gz XFJZXJKCACWSOR-UHFFFAOYSA-N 1 2 350.422 2.355 20 30 FEEDLO CSc1cccc(NC(=O)C[NH+]2CCN(c3cccc(C#N)n3)CC2)c1 ZINC000546210021 562635124 /nfs/dbraw/zinc/63/51/24/562635124.db2.gz MMXUWCQVFCJDTO-UHFFFAOYSA-N 1 2 367.478 2.436 20 30 FEEDLO Cc1ccc(Cc2noc(CS(=O)(=O)Cc3ccc(C#N)cc3)n2)c[nH+]1 ZINC000546339177 562636104 /nfs/dbraw/zinc/63/61/04/562636104.db2.gz GWLJLYPWCQABMK-UHFFFAOYSA-N 1 2 368.418 2.351 20 30 FEEDLO CC(C)[C@@H](CNC(=O)C[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1)c1ccccc1 ZINC000602858472 568002922 /nfs/dbraw/zinc/00/29/22/568002922.db2.gz BHLZYWJHZHOJNI-WSTZPKSXSA-N 1 2 356.514 2.461 20 30 FEEDLO CC(C)[C@@H](CNC(=O)C[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1)c1ccccc1 ZINC000602858472 568002923 /nfs/dbraw/zinc/00/29/23/568002923.db2.gz BHLZYWJHZHOJNI-WSTZPKSXSA-N 1 2 356.514 2.461 20 30 FEEDLO Cc1cc(C)cc(OCCN(C)C(=O)C[NH+]2C[C@@H](C)N(CC#N)[C@H](C)C2)c1 ZINC000602864233 568007882 /nfs/dbraw/zinc/00/78/82/568007882.db2.gz QCDDRPBVONUPCT-RTBURBONSA-N 1 2 372.513 2.059 20 30 FEEDLO C[C@@H]1C[NH+](CC(=O)Nc2ccnn2CC2CCCCC2)C[C@@H](C)N1CC#N ZINC000602865629 568008132 /nfs/dbraw/zinc/00/81/32/568008132.db2.gz UHWHZMYSTGTOAA-IAGOWNOFSA-N 1 2 372.517 2.320 20 30 FEEDLO C[N@H+](CC(=O)NCC1(c2ccccc2)CCOCC1)[C@@H]1CCC[C@@H]1C#N ZINC000602975424 568035896 /nfs/dbraw/zinc/03/58/96/568035896.db2.gz ASVPGJIRQZHVMQ-IEBWSBKVSA-N 1 2 355.482 2.475 20 30 FEEDLO C[N@@H+](CC(=O)NCC1(c2ccccc2)CCOCC1)[C@@H]1CCC[C@@H]1C#N ZINC000602975424 568035898 /nfs/dbraw/zinc/03/58/98/568035898.db2.gz ASVPGJIRQZHVMQ-IEBWSBKVSA-N 1 2 355.482 2.475 20 30 FEEDLO CC(C)CCNC(=O)C1CCN(C(=O)C[N@H+](C)[C@H]2CCC[C@@H]2C#N)CC1 ZINC000602977542 568036351 /nfs/dbraw/zinc/03/63/51/568036351.db2.gz COAZUSPKCRIFQQ-MSOLQXFVSA-N 1 2 362.518 2.011 20 30 FEEDLO CC(C)CCNC(=O)C1CCN(C(=O)C[N@@H+](C)[C@H]2CCC[C@@H]2C#N)CC1 ZINC000602977542 568036353 /nfs/dbraw/zinc/03/63/53/568036353.db2.gz COAZUSPKCRIFQQ-MSOLQXFVSA-N 1 2 362.518 2.011 20 30 FEEDLO N#C[C@@H](c1ccc(F)cc1)N1CC[NH+]([C@@H]2CCN(C3CCC3)C2=O)CC1 ZINC000602802273 568036937 /nfs/dbraw/zinc/03/69/37/568036937.db2.gz PZUPBEXCQRNANB-MOPGFXCFSA-N 1 2 356.445 2.161 20 30 FEEDLO CC(C)OCc1cccc(CNC(=O)C[NH+]2C[C@@H](C)N(CC#N)[C@H](C)C2)c1 ZINC000602861867 568049692 /nfs/dbraw/zinc/04/96/92/568049692.db2.gz MGGAVWQRXAVIJB-QZTJIDSGSA-N 1 2 372.513 2.146 20 30 FEEDLO CC(C)[C@H](C#N)N1CC[NH+](CC(=O)N(Cc2ccccc2)C2CC2)CC1 ZINC000609486120 568346229 /nfs/dbraw/zinc/34/62/29/568346229.db2.gz DHAKYWABGBVLFY-FQEVSTJZSA-N 1 2 354.498 2.343 20 30 FEEDLO C=CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000669198337 568564807 /nfs/dbraw/zinc/56/48/07/568564807.db2.gz NZSRBURNYZJFQM-IXDOHACOSA-N 1 2 356.470 2.028 20 30 FEEDLO NC(=[NH+]OCCCOc1cccc(-c2nn[nH]n2)c1)c1ccc(F)cc1 ZINC000822845763 606838102 /nfs/dbraw/zinc/83/81/02/606838102.db2.gz GYYILOKMBYZVSZ-UHFFFAOYSA-N 1 2 356.361 2.112 20 30 FEEDLO Cc1nc(-c2nn[nH]n2)c(N=NC2C[C@H](C)[N@@H+](Cc3ccccc3)C2)o1 ZINC000822424159 606862008 /nfs/dbraw/zinc/86/20/08/606862008.db2.gz SETYEISRHWYPNA-NSHDSACASA-N 1 2 352.402 2.225 20 30 FEEDLO Cc1nc(-c2nn[nH]n2)c(N=NC2C[C@H](C)[N@H+](Cc3ccccc3)C2)o1 ZINC000822424159 606862010 /nfs/dbraw/zinc/86/20/10/606862010.db2.gz SETYEISRHWYPNA-NSHDSACASA-N 1 2 352.402 2.225 20 30 FEEDLO CCC#C[C@@H](C)[NH+]1CCN(c2oc(-c3ccco3)nc2-c2nn[nH]n2)CC1 ZINC000825029351 607958032 /nfs/dbraw/zinc/95/80/32/607958032.db2.gz QJVOMMASWJFDHL-CYBMUJFWSA-N 1 2 367.413 2.039 20 30 FEEDLO N#Cc1c(F)cccc1N1CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC000826382909 608596337 /nfs/dbraw/zinc/59/63/37/608596337.db2.gz AEYFSDHLCOLQQP-UHFFFAOYSA-N 1 2 369.429 2.261 20 30 FEEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3ccn(CC(F)(F)F)n3)C2)nc1 ZINC000560245515 674573232 /nfs/dbraw/zinc/57/32/32/674573232.db2.gz KROYIJZJISCPPT-CQSZACIVSA-N 1 2 351.332 2.365 20 30 FEEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3ccn(CC(F)(F)F)n3)C2)nc1 ZINC000560245515 674573234 /nfs/dbraw/zinc/57/32/34/674573234.db2.gz KROYIJZJISCPPT-CQSZACIVSA-N 1 2 351.332 2.365 20 30 FEEDLO Cc1sc(NC(=O)C[NH+]2CCC(O[C@@H]3CCOC3)CC2)c(C#N)c1C ZINC000562342943 674743869 /nfs/dbraw/zinc/74/38/69/674743869.db2.gz NZXGOPYCJYTBKL-OAHLLOKOSA-N 1 2 363.483 2.445 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1F ZINC000813656646 674765637 /nfs/dbraw/zinc/76/56/37/674765637.db2.gz CRJOVPZSYJKHTA-UHFFFAOYSA-N 1 2 356.382 2.362 20 30 FEEDLO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@@H](C)C#N ZINC000564776345 675060765 /nfs/dbraw/zinc/06/07/65/675060765.db2.gz VJYLCIAUOPIAFG-QWRGUYRKSA-N 1 2 354.248 2.212 20 30 FEEDLO C[C@H](C#N)Oc1ccc(C[N@H+](C)Cc2ccccc2S(N)(=O)=O)cc1 ZINC000816627665 675069412 /nfs/dbraw/zinc/06/94/12/675069412.db2.gz TZVLYWUIEZQCGC-CQSZACIVSA-N 1 2 359.451 2.257 20 30 FEEDLO C[C@H](C#N)Oc1ccc(C[N@@H+](C)Cc2ccccc2S(N)(=O)=O)cc1 ZINC000816627665 675069417 /nfs/dbraw/zinc/06/94/17/675069417.db2.gz TZVLYWUIEZQCGC-CQSZACIVSA-N 1 2 359.451 2.257 20 30 FEEDLO C#CC[NH+]1CCN(Cn2nc(COc3cccc(C)c3)oc2=S)CC1 ZINC000079032227 670599054 /nfs/dbraw/zinc/59/90/54/670599054.db2.gz RITQECDVEDEALV-UHFFFAOYSA-N 1 2 358.467 2.301 20 30 FEEDLO NC(=NOCc1cccnc1Cl)c1cccc(C[NH+]2CCOCC2)c1 ZINC000112969544 670879404 /nfs/dbraw/zinc/87/94/04/670879404.db2.gz YOWRGARJRXLXKR-UHFFFAOYSA-N 1 2 360.845 2.404 20 30 FEEDLO COCC[N@H+](Cc1cccc(OCCCC#N)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000574961856 671289124 /nfs/dbraw/zinc/28/91/24/671289124.db2.gz NIUYJMWHOIVDKV-QGZVFWFLSA-N 1 2 366.483 2.005 20 30 FEEDLO COCC[N@@H+](Cc1cccc(OCCCC#N)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000574961856 671289127 /nfs/dbraw/zinc/28/91/27/671289127.db2.gz NIUYJMWHOIVDKV-QGZVFWFLSA-N 1 2 366.483 2.005 20 30 FEEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1c1ncc(Br)cc1C#N ZINC000582587102 672015867 /nfs/dbraw/zinc/01/58/67/672015867.db2.gz ZZSSBYROXFZINK-SMDDNHRTSA-N 1 2 351.248 2.015 20 30 FEEDLO C=C[C@H]1CCCCN1C(=O)NCC1([NH+]2CCOCC2)CC(OCC)C1 ZINC000582778803 672033173 /nfs/dbraw/zinc/03/31/73/672033173.db2.gz HZQBSOOSDHFCNP-MUYFXNHWSA-N 1 2 351.491 2.006 20 30 FEEDLO N#Cc1cc(F)c(S(=O)(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c(F)c1 ZINC000610711264 675991041 /nfs/dbraw/zinc/99/10/41/675991041.db2.gz SOCCQMYPEAKLTD-LBPRGKRZSA-N 1 2 352.366 2.059 20 30 FEEDLO CC[C@@H]1C[N@H+](CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)CCS1 ZINC000173508133 672352883 /nfs/dbraw/zinc/35/28/83/672352883.db2.gz YOVASAFJTVFIBY-CRAIPNDOSA-N 1 2 358.467 2.110 20 30 FEEDLO CC[C@@H]1C[N@@H+](CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)CCS1 ZINC000173508133 672352885 /nfs/dbraw/zinc/35/28/85/672352885.db2.gz YOVASAFJTVFIBY-CRAIPNDOSA-N 1 2 358.467 2.110 20 30 FEEDLO CC[N@@H+]1CCN(S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C[C@@H]1C ZINC000611083699 676016010 /nfs/dbraw/zinc/01/60/10/676016010.db2.gz WHMWOMAQJIJTSQ-NSHDSACASA-N 1 2 361.389 2.292 20 30 FEEDLO CC[N@H+]1CCN(S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C[C@@H]1C ZINC000611083699 676016012 /nfs/dbraw/zinc/01/60/12/676016012.db2.gz WHMWOMAQJIJTSQ-NSHDSACASA-N 1 2 361.389 2.292 20 30 FEEDLO C=CCC[C@@H](Nc1ccc(N2CCN(S(C)(=O)=O)CC2)[nH+]c1)C1CC1 ZINC000679148459 672469435 /nfs/dbraw/zinc/46/94/35/672469435.db2.gz IPDLZQGZCDZCAU-QGZVFWFLSA-N 1 2 364.515 2.320 20 30 FEEDLO Cc1nsc(N2CC[NH+](C[C@H]3COc4ccccc4O3)CC2)c1C#N ZINC000589286666 672520046 /nfs/dbraw/zinc/52/00/46/672520046.db2.gz BNRZYZVDSARJDR-AWEZNQCLSA-N 1 2 356.451 2.285 20 30 FEEDLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)c2cscc2C#N)CC1 ZINC000590976862 672638098 /nfs/dbraw/zinc/63/80/98/672638098.db2.gz NVSIGYHGQNNOJL-UHFFFAOYSA-N 1 2 354.435 2.260 20 30 FEEDLO C[C@@H](SCc1nc(C#N)cs1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000591411781 672679554 /nfs/dbraw/zinc/67/95/54/672679554.db2.gz QBGGQLGQZYADTP-CYBMUJFWSA-N 1 2 373.507 2.380 20 30 FEEDLO COC(=O)c1ccc(C[N@@H+]2CC[C@@](O)(CC#N)C2)c(Br)c1 ZINC000592152975 672764672 /nfs/dbraw/zinc/76/46/72/672764672.db2.gz HEMWEEVRCCVNLQ-HNNXBMFYSA-N 1 2 353.216 2.086 20 30 FEEDLO COC(=O)c1ccc(C[N@H+]2CC[C@@](O)(CC#N)C2)c(Br)c1 ZINC000592152975 672764677 /nfs/dbraw/zinc/76/46/77/672764677.db2.gz HEMWEEVRCCVNLQ-HNNXBMFYSA-N 1 2 353.216 2.086 20 30 FEEDLO C=CCSCCNC(=O)NC[C@@H]1CN(C)CC[N@@H+]1Cc1ccccc1 ZINC000595492807 673257542 /nfs/dbraw/zinc/25/75/42/673257542.db2.gz NCGOOAAYDSTQBR-GOSISDBHSA-N 1 2 362.543 2.021 20 30 FEEDLO C=CCSCCNC(=O)NC[C@@H]1CN(C)CC[N@H+]1Cc1ccccc1 ZINC000595492807 673257543 /nfs/dbraw/zinc/25/75/43/673257543.db2.gz NCGOOAAYDSTQBR-GOSISDBHSA-N 1 2 362.543 2.021 20 30 FEEDLO C=CCCSCCNC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000596089729 673357537 /nfs/dbraw/zinc/35/75/37/673357537.db2.gz JFSSSJQRFHFNOE-SFHVURJKSA-N 1 2 363.527 2.496 20 30 FEEDLO C=CCCSCCNC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000596089729 673357541 /nfs/dbraw/zinc/35/75/41/673357541.db2.gz JFSSSJQRFHFNOE-SFHVURJKSA-N 1 2 363.527 2.496 20 30 FEEDLO CCOC(=O)c1sc([C@@H](C)[NH2+]CC(=O)N[C@@](C)(C#N)C(C)C)nc1C ZINC000542616287 673593297 /nfs/dbraw/zinc/59/32/97/673593297.db2.gz VGUCHHKVDGKANK-PXAZEXFGSA-N 1 2 366.487 2.333 20 30 FEEDLO C[N@@H+]1CCO[C@@H]([C@@H](NC(=O)NCCCC#N)c2ccc(Cl)cc2)C1 ZINC000543335826 673640227 /nfs/dbraw/zinc/64/02/27/673640227.db2.gz KTPVCMYRPLPRNR-CVEARBPZSA-N 1 2 350.850 2.315 20 30 FEEDLO C[N@H+]1CCO[C@@H]([C@@H](NC(=O)NCCCC#N)c2ccc(Cl)cc2)C1 ZINC000543335826 673640230 /nfs/dbraw/zinc/64/02/30/673640230.db2.gz KTPVCMYRPLPRNR-CVEARBPZSA-N 1 2 350.850 2.315 20 30 FEEDLO Cc1cc(C2CC[NH+](CCS(=O)(=O)c3cccc(C#N)c3)CC2)n[nH]1 ZINC000543904238 673677746 /nfs/dbraw/zinc/67/77/46/673677746.db2.gz JBWROADUPJRZFC-UHFFFAOYSA-N 1 2 358.467 2.243 20 30 FEEDLO Cc1cc(C2CC[NH+](CCS(=O)(=O)c3cccc(C#N)c3)CC2)[nH]n1 ZINC000543904238 673677749 /nfs/dbraw/zinc/67/77/49/673677749.db2.gz JBWROADUPJRZFC-UHFFFAOYSA-N 1 2 358.467 2.243 20 30 FEEDLO CS(=O)(=O)c1ccc(OCCO[NH+]=C(N)c2ccc(Cl)cc2)cc1 ZINC000742353249 673724961 /nfs/dbraw/zinc/72/49/61/673724961.db2.gz WTIXZLIEMWFMNR-UHFFFAOYSA-N 1 2 368.842 2.459 20 30 FEEDLO NC(=[NH+]OCC(=O)NCCOc1cccc(Cl)c1)c1ccc(F)cc1 ZINC000742353081 673725027 /nfs/dbraw/zinc/72/50/27/673725027.db2.gz OHPHRCIYHQFPAX-UHFFFAOYSA-N 1 2 365.792 2.311 20 30 FEEDLO Cc1cc(CN(CCC#N)CC[NH+]2CCOCC2)ncc1Br ZINC000600106509 673741428 /nfs/dbraw/zinc/74/14/28/673741428.db2.gz KGRAFEATZNBSCU-UHFFFAOYSA-N 1 2 367.291 2.200 20 30 FEEDLO C=CCSCCNC(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000601567540 673882570 /nfs/dbraw/zinc/88/25/70/673882570.db2.gz MBYROJTVSOPHTF-UHFFFAOYSA-N 1 2 352.529 2.353 20 30 FEEDLO Cn1c2cc(C[NH+]3CCN(c4ccsc4C#N)CC3)ccc2oc1=O ZINC000602704676 673910178 /nfs/dbraw/zinc/91/01/78/673910178.db2.gz CDIPZTQGRWBIML-UHFFFAOYSA-N 1 2 354.435 2.387 20 30 FEEDLO CSc1nc(C2CC2)cc(C(=O)N[C@H]2CCn3cc[nH+]c3C2)c1C#N ZINC000548639885 673983017 /nfs/dbraw/zinc/98/30/17/673983017.db2.gz HHYRTFPMBAFGEW-LBPRGKRZSA-N 1 2 353.451 2.494 20 30 FEEDLO Cc1ccc(I)cc1OC[C@@H](O)C[N@H+](C)CCC#N ZINC000567568651 675302722 /nfs/dbraw/zinc/30/27/22/675302722.db2.gz NBERKGJATIKQGV-ZDUSSCGKSA-N 1 2 374.222 2.185 20 30 FEEDLO Cc1ccc(I)cc1OC[C@@H](O)C[N@@H+](C)CCC#N ZINC000567568651 675302725 /nfs/dbraw/zinc/30/27/25/675302725.db2.gz NBERKGJATIKQGV-ZDUSSCGKSA-N 1 2 374.222 2.185 20 30 FEEDLO CC1(C)C[N@H+](CCNC(=O)NCc2ccc(C#N)c(Cl)c2)CCO1 ZINC000619759342 676393751 /nfs/dbraw/zinc/39/37/51/676393751.db2.gz DPYDKVGAIWBZEC-UHFFFAOYSA-N 1 2 350.850 2.122 20 30 FEEDLO CC1(C)C[N@@H+](CCNC(=O)NCc2ccc(C#N)c(Cl)c2)CCO1 ZINC000619759342 676393754 /nfs/dbraw/zinc/39/37/54/676393754.db2.gz DPYDKVGAIWBZEC-UHFFFAOYSA-N 1 2 350.850 2.122 20 30 FEEDLO C=CC[N@H+]([C@@H]1CCS(=O)(=O)C1)[C@@H]1CCc2cc(OC)c(OC)cc21 ZINC000637961889 677136884 /nfs/dbraw/zinc/13/68/84/677136884.db2.gz FUDGOQXIOWMIPM-GDBMZVCRSA-N 1 2 351.468 2.366 20 30 FEEDLO C=CC[N@@H+]([C@@H]1CCS(=O)(=O)C1)[C@@H]1CCc2cc(OC)c(OC)cc21 ZINC000637961889 677136885 /nfs/dbraw/zinc/13/68/85/677136885.db2.gz FUDGOQXIOWMIPM-GDBMZVCRSA-N 1 2 351.468 2.366 20 30 FEEDLO C=CCC1(NC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)CCCC1 ZINC000663781712 678788311 /nfs/dbraw/zinc/78/83/11/678788311.db2.gz WCXNZZIAMOLQHO-GOSISDBHSA-N 1 2 353.532 2.382 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@]12CCC[C@H]1[N@H+](Cc1cnns1)CC2 ZINC000990745053 680071612 /nfs/dbraw/zinc/07/16/12/680071612.db2.gz XBEQJOFUVQQFHM-KYHPRHEASA-N 1 2 362.499 2.133 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@]12CCC[C@H]1[N@@H+](Cc1cnns1)CC2 ZINC000990745053 680071617 /nfs/dbraw/zinc/07/16/17/680071617.db2.gz XBEQJOFUVQQFHM-KYHPRHEASA-N 1 2 362.499 2.133 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]12CCC[C@@H]1[N@H+](Cc1nnc(C)s1)CC2 ZINC000992184059 680094950 /nfs/dbraw/zinc/09/49/50/680094950.db2.gz VXFWGHGOFMMUAM-LDDOYCOJSA-N 1 2 362.499 2.051 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]12CCC[C@@H]1[N@@H+](Cc1nnc(C)s1)CC2 ZINC000992184059 680094958 /nfs/dbraw/zinc/09/49/58/680094958.db2.gz VXFWGHGOFMMUAM-LDDOYCOJSA-N 1 2 362.499 2.051 20 30 FEEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@@H]3CCO[C@H]3C3CC3)CC2)s1 ZINC000981656795 680244416 /nfs/dbraw/zinc/24/44/16/680244416.db2.gz JZNPYWSUFINJBD-MSOLQXFVSA-N 1 2 359.495 2.469 20 30 FEEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]3CCO[C@H]3C3CC3)CC2)s1 ZINC000981656795 680244418 /nfs/dbraw/zinc/24/44/18/680244418.db2.gz JZNPYWSUFINJBD-MSOLQXFVSA-N 1 2 359.495 2.469 20 30 FEEDLO COC(=O)c1ccc(N[NH+]=Cc2cnc(N3CCOCC3)s2)cc1F ZINC000835017843 680286510 /nfs/dbraw/zinc/28/65/10/680286510.db2.gz BMTLNQYOHPRTNP-UHFFFAOYSA-N 1 2 364.402 2.351 20 30 FEEDLO N#Cc1ccc(OCC(=O)O[C@@H]2CC[N@@H+](CCF)C2)cc1Br ZINC000835370797 680324433 /nfs/dbraw/zinc/32/44/33/680324433.db2.gz KHNMSOAEPUFASO-CYBMUJFWSA-N 1 2 371.206 2.287 20 30 FEEDLO N#Cc1ccc(OCC(=O)O[C@@H]2CC[N@H+](CCF)C2)cc1Br ZINC000835370797 680324437 /nfs/dbraw/zinc/32/44/37/680324437.db2.gz KHNMSOAEPUFASO-CYBMUJFWSA-N 1 2 371.206 2.287 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1C[NH+](Cc2ccc(OC)c(Cl)c2)C1 ZINC001031987678 680410626 /nfs/dbraw/zinc/41/06/26/680410626.db2.gz XAUKRUBSFFPDMR-WBVHZDCISA-N 1 2 364.873 2.488 20 30 FEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCO[C@H]2c2ccnn2CC)C1 ZINC001033159820 680419303 /nfs/dbraw/zinc/41/93/03/680419303.db2.gz CCRPJKDHAMMAPB-ZMSDIMECSA-N 1 2 366.893 2.266 20 30 FEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCO[C@H]2c2ccnn2CC)C1 ZINC001033159820 680419304 /nfs/dbraw/zinc/41/93/04/680419304.db2.gz CCRPJKDHAMMAPB-ZMSDIMECSA-N 1 2 366.893 2.266 20 30 FEEDLO C=CCC[C@H]1CCCN1C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000912239296 685336336 /nfs/dbraw/zinc/33/63/36/685336336.db2.gz PLCMUIJUUKFEIZ-FUHWJXTLSA-N 1 2 353.532 2.335 20 30 FEEDLO C=CCNc1ncc(C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)s1 ZINC000771044615 681038606 /nfs/dbraw/zinc/03/86/06/681038606.db2.gz HSYBAEJREKSJGT-UONOGXRCSA-N 1 2 350.488 2.114 20 30 FEEDLO C=C(Br)C[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[C@@H](C)O3)[C@@H]2C1 ZINC001050145618 681042623 /nfs/dbraw/zinc/04/26/23/681042623.db2.gz FTWIEIZJGLNZQA-LXTVHRRPSA-N 1 2 357.292 2.385 20 30 FEEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[C@@H](C)O3)[C@@H]2C1 ZINC001050145618 681042624 /nfs/dbraw/zinc/04/26/24/681042624.db2.gz FTWIEIZJGLNZQA-LXTVHRRPSA-N 1 2 357.292 2.385 20 30 FEEDLO O=C(C[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000844454812 681060045 /nfs/dbraw/zinc/06/00/45/681060045.db2.gz MBVVNXYPSLRXDE-OKILXGFUSA-N 1 2 358.310 2.370 20 30 FEEDLO O=C(C[N@H+]1C[C@H]2[C@@H](C1)C2(F)F)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000844454812 681060047 /nfs/dbraw/zinc/06/00/47/681060047.db2.gz MBVVNXYPSLRXDE-OKILXGFUSA-N 1 2 358.310 2.370 20 30 FEEDLO C=C(Cl)C[N@H+]1CCc2c(CNC(=O)[C@H]3OCCO[C@H]3C)cccc2C1 ZINC001051291039 681067294 /nfs/dbraw/zinc/06/72/94/681067294.db2.gz YHOYZYMQTZBBNG-KSSFIOAISA-N 1 2 364.873 2.217 20 30 FEEDLO C=C(Cl)C[N@@H+]1CCc2c(CNC(=O)[C@H]3OCCO[C@H]3C)cccc2C1 ZINC001051291039 681067295 /nfs/dbraw/zinc/06/72/95/681067295.db2.gz YHOYZYMQTZBBNG-KSSFIOAISA-N 1 2 364.873 2.217 20 30 FEEDLO C#CCCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3ccsc3)C2)CC1 ZINC001052042357 681071005 /nfs/dbraw/zinc/07/10/05/681071005.db2.gz BFBCPLWYRMJNNU-GBESFXJTSA-N 1 2 357.523 2.093 20 30 FEEDLO C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1CNc1nc(C#N)c(Cl)s1 ZINC001054567840 681113133 /nfs/dbraw/zinc/11/31/33/681113133.db2.gz FUFDPGADIQNRMN-NXEZZACHSA-N 1 2 364.862 2.140 20 30 FEEDLO CCOC(=O)[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000932645588 681276320 /nfs/dbraw/zinc/27/63/20/681276320.db2.gz XVAVWRPERYSNQD-VXGBXAGGSA-N 1 2 361.467 2.320 20 30 FEEDLO CCOC(=O)[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000932645588 681276324 /nfs/dbraw/zinc/27/63/24/681276324.db2.gz XVAVWRPERYSNQD-VXGBXAGGSA-N 1 2 361.467 2.320 20 30 FEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(Br)c(C(=O)OC)c1 ZINC000775195119 681283726 /nfs/dbraw/zinc/28/37/26/681283726.db2.gz JAQNFDUFXACZSU-AWEZNQCLSA-N 1 2 365.227 2.272 20 30 FEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(Br)c(C(=O)OC)c1 ZINC000775195119 681283730 /nfs/dbraw/zinc/28/37/30/681283730.db2.gz JAQNFDUFXACZSU-AWEZNQCLSA-N 1 2 365.227 2.272 20 30 FEEDLO O=S(=O)(C1CC[NH+](CC#Cc2ccc(F)cc2)CC1)N1CCCCC1 ZINC000933093068 681361981 /nfs/dbraw/zinc/36/19/81/681361981.db2.gz ZXAXYRIEFUIYJM-UHFFFAOYSA-N 1 2 364.486 2.457 20 30 FEEDLO CS(=O)(=O)c1cccc(N[NH+]=Cc2ccc(N3CCOCC3)s2)c1 ZINC000776264418 681377662 /nfs/dbraw/zinc/37/76/62/681377662.db2.gz XJNBGRSWGBBXAV-UHFFFAOYSA-N 1 2 365.480 2.434 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(C[N@@H+](CC)Cc2cnsn2)CC1 ZINC000957755921 681922895 /nfs/dbraw/zinc/92/28/95/681922895.db2.gz UFZGQRJZZBESBZ-SJORKVTESA-N 1 2 364.515 2.190 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(C[N@H+](CC)Cc2cnsn2)CC1 ZINC000957755921 681922901 /nfs/dbraw/zinc/92/29/01/681922901.db2.gz UFZGQRJZZBESBZ-SJORKVTESA-N 1 2 364.515 2.190 20 30 FEEDLO C=C(Cl)C(C)(C)C(=O)N1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000938575779 681941838 /nfs/dbraw/zinc/94/18/38/681941838.db2.gz MNBSLAXYGKQOSN-BFHYXJOUSA-N 1 2 364.877 2.351 20 30 FEEDLO C=C(Cl)C(C)(C)C(=O)N1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000938575779 681941842 /nfs/dbraw/zinc/94/18/42/681941842.db2.gz MNBSLAXYGKQOSN-BFHYXJOUSA-N 1 2 364.877 2.351 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](Cc2c(F)cccc2F)C1 ZINC000970446384 682298593 /nfs/dbraw/zinc/29/85/93/682298593.db2.gz DRAAMAXZTPGXRG-WRSAYESZSA-N 1 2 350.409 2.492 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)C1C[NH+](Cc2csnc2OC)C1 ZINC000970569919 682308008 /nfs/dbraw/zinc/30/80/08/682308008.db2.gz FESBNVMGRTTWMR-RCBQFDQVSA-N 1 2 365.499 2.069 20 30 FEEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2OCC[C@H]2C(C)C)C1 ZINC000971549260 682357853 /nfs/dbraw/zinc/35/78/53/682357853.db2.gz GQVVBAYVYHFOHX-KKUMJFAQSA-N 1 2 359.308 2.489 20 30 FEEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2OCC[C@H]2C(C)C)C1 ZINC000971549260 682357858 /nfs/dbraw/zinc/35/78/58/682357858.db2.gz GQVVBAYVYHFOHX-KKUMJFAQSA-N 1 2 359.308 2.489 20 30 FEEDLO C[N@@H+]1CCN(c2nc(C#N)c(Cl)s2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000853447309 682414786 /nfs/dbraw/zinc/41/47/86/682414786.db2.gz DWGIGRJAGIAARE-JTQLQIEISA-N 1 2 371.894 2.313 20 30 FEEDLO C[N@H+]1CCN(c2nc(C#N)c(Cl)s2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000853447309 682414789 /nfs/dbraw/zinc/41/47/89/682414789.db2.gz DWGIGRJAGIAARE-JTQLQIEISA-N 1 2 371.894 2.313 20 30 FEEDLO CCN(CC)C(=O)C1([NH2+]Cn2nc(CC#N)n(C)c2=S)CCCCC1 ZINC000794639324 682986233 /nfs/dbraw/zinc/98/62/33/682986233.db2.gz MFJYQHRXAJHNHY-UHFFFAOYSA-N 1 2 364.519 2.136 20 30 FEEDLO C#CCNC(=O)C1CC[NH+](Cc2cc(C)c(Br)cn2)CC1 ZINC000862231957 683554640 /nfs/dbraw/zinc/55/46/40/683554640.db2.gz NDXPMQSHGRCVKH-UHFFFAOYSA-N 1 2 350.260 2.114 20 30 FEEDLO N#CCc1ccsc1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000864613949 683873284 /nfs/dbraw/zinc/87/32/84/683873284.db2.gz LWACOZRGGCLFTC-KRWDZBQOSA-N 1 2 355.463 2.445 20 30 FEEDLO N#CCc1ccsc1C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000864613949 683873289 /nfs/dbraw/zinc/87/32/89/683873289.db2.gz LWACOZRGGCLFTC-KRWDZBQOSA-N 1 2 355.463 2.445 20 30 FEEDLO C[C@H]([NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1)c1cccc(C#N)c1O ZINC000866295509 684089944 /nfs/dbraw/zinc/08/99/44/684089944.db2.gz DTEBWLRNOSKVDQ-NSHDSACASA-N 1 2 373.425 2.179 20 30 FEEDLO C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000867538258 684308795 /nfs/dbraw/zinc/30/87/95/684308795.db2.gz XAABOCIOGMGDBA-OLZOCXBDSA-N 1 2 368.865 2.350 20 30 FEEDLO Cc1cccc(C#N)c1S(=O)(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000872432699 684947460 /nfs/dbraw/zinc/94/74/60/684947460.db2.gz CIIGGIKAGNSJAW-UHFFFAOYSA-N 1 2 356.451 2.340 20 30 FEEDLO C#CCCCCCC[NH+]1CCN(S(=O)(=O)c2c(C)noc2C)CC1 ZINC000876551435 686218128 /nfs/dbraw/zinc/21/81/28/686218128.db2.gz RUWRIQBMVUQBJX-UHFFFAOYSA-N 1 2 353.488 2.181 20 30 FEEDLO CC(=O)[C@](C#N)(CC[N@@H+]1CCC[C@H](CS(C)(=O)=O)C1)c1ccccc1 ZINC000878648840 686627540 /nfs/dbraw/zinc/62/75/40/686627540.db2.gz TVRCBTLCRRGPLA-PKOBYXMFSA-N 1 2 362.495 2.184 20 30 FEEDLO CC(=O)[C@](C#N)(CC[N@H+]1CCC[C@H](CS(C)(=O)=O)C1)c1ccccc1 ZINC000878648840 686627545 /nfs/dbraw/zinc/62/75/45/686627545.db2.gz TVRCBTLCRRGPLA-PKOBYXMFSA-N 1 2 362.495 2.184 20 30 FEEDLO CO[C@@]1(C(F)(F)F)CC[N@@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000880304221 687029864 /nfs/dbraw/zinc/02/98/64/687029864.db2.gz MEKZMPWIAHBXJK-ZBFHGGJFSA-N 1 2 353.344 2.317 20 30 FEEDLO CO[C@@]1(C(F)(F)F)CC[N@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000880304221 687029869 /nfs/dbraw/zinc/02/98/69/687029869.db2.gz MEKZMPWIAHBXJK-ZBFHGGJFSA-N 1 2 353.344 2.317 20 30 FEEDLO Cc1nc(N2CCN(c3ncc(C#N)cc3Br)CC2)cc[nH+]1 ZINC000882188552 687319508 /nfs/dbraw/zinc/31/95/08/687319508.db2.gz MEXBXMMLSIRCLE-UHFFFAOYSA-N 1 2 359.231 2.141 20 30 FEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC(OC2CCC(C)CC2)CC1 ZINC000884131768 687796873 /nfs/dbraw/zinc/79/68/73/687796873.db2.gz VBQPTTRKMCIBKR-DQPZFDDXSA-N 1 2 352.475 2.019 20 30 FEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1cc(Br)c(C)cc1OC ZINC000884320575 687847466 /nfs/dbraw/zinc/84/74/66/687847466.db2.gz TZUTZRLNMIYALT-NSHDSACASA-N 1 2 371.231 2.151 20 30 FEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000884333154 687850247 /nfs/dbraw/zinc/85/02/47/687850247.db2.gz FURIJVVUFALIER-FZMZJTMJSA-N 1 2 358.360 2.372 20 30 FEEDLO O=C(C[C@@H](n1cc[nH+]c1)C(F)(F)F)N1CCC2(CC1)CC(=O)C=CO2 ZINC000887769324 688489240 /nfs/dbraw/zinc/48/92/40/688489240.db2.gz DJLGNOURNZBOOC-CYBMUJFWSA-N 1 2 357.332 2.241 20 30 FEEDLO N#Cc1ccc(F)c(NC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)c1 ZINC000888355263 688592446 /nfs/dbraw/zinc/59/24/46/688592446.db2.gz NFCMHEJIZLZMDY-KRWDZBQOSA-N 1 2 364.446 2.027 20 30 FEEDLO O=C1[C@H]([NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)CCCN1O ZINC000895166841 689670409 /nfs/dbraw/zinc/67/04/09/689670409.db2.gz SHUYDENZTUAAHS-GFCCVEGCSA-N 1 2 365.231 2.309 20 30 FEEDLO CCN1C[C@@H](C[N@H+](C)CC(=O)N[C@@](C)(C#N)C2CC2)Oc2ccccc21 ZINC000011193454 539525167 /nfs/dbraw/zinc/52/51/67/539525167.db2.gz LJSNXONDNCBWKY-UZLBHIALSA-N 1 2 356.470 2.014 20 30 FEEDLO CCN1C[C@@H](C[N@@H+](C)CC(=O)N[C@@](C)(C#N)C2CC2)Oc2ccccc21 ZINC000011193454 539525171 /nfs/dbraw/zinc/52/51/71/539525171.db2.gz LJSNXONDNCBWKY-UZLBHIALSA-N 1 2 356.470 2.014 20 30 FEEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCN(c2ccccc2O)CC1 ZINC000016481226 539632385 /nfs/dbraw/zinc/63/23/85/539632385.db2.gz ZDBHKKDPNIIXPV-INIZCTEOSA-N 1 2 356.470 2.245 20 30 FEEDLO Cc1ccn2cc(C(=O)N3CC[NH+](Cc4ccc(C#N)cc4)CC3)nc2c1 ZINC000017843588 539644259 /nfs/dbraw/zinc/64/42/59/539644259.db2.gz ZMBDIQZALKAKIF-UHFFFAOYSA-N 1 2 359.433 2.472 20 30 FEEDLO C[C@@H]1C[C@@H](C)CN(C(=O)CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000023257863 539710710 /nfs/dbraw/zinc/71/07/10/539710710.db2.gz IFVKMSOFILFQRT-QZTJIDSGSA-N 1 2 354.498 2.180 20 30 FEEDLO C[C@@H]1C[C@@H](C)CN(C(=O)C[NH+]2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000023257863 539710714 /nfs/dbraw/zinc/71/07/14/539710714.db2.gz IFVKMSOFILFQRT-QZTJIDSGSA-N 1 2 354.498 2.180 20 30 FEEDLO CSc1[nH]c(=O)c(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)cc1C#N ZINC000025332406 539756333 /nfs/dbraw/zinc/75/63/33/539756333.db2.gz ACTDCLNCZCSGPQ-CYBMUJFWSA-N 1 2 362.480 2.475 20 30 FEEDLO N#Cc1ccc(CN2CCC[N@@H+](CC(=O)NC(C3CC3)C3CC3)CC2)cc1 ZINC000028154988 539826968 /nfs/dbraw/zinc/82/69/68/539826968.db2.gz YIKMAPJIWSGAOD-UHFFFAOYSA-N 1 2 366.509 2.371 20 30 FEEDLO N#Cc1ccc(CN2CCC[N@H+](CC(=O)NC(C3CC3)C3CC3)CC2)cc1 ZINC000028154988 539826971 /nfs/dbraw/zinc/82/69/71/539826971.db2.gz YIKMAPJIWSGAOD-UHFFFAOYSA-N 1 2 366.509 2.371 20 30 FEEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)[C@H]2CCc3cc(C)ccc3O2)c1C#N ZINC000530372002 539953973 /nfs/dbraw/zinc/95/39/73/539953973.db2.gz GBGUVQBLXFZZSC-QGZVFWFLSA-N 1 2 353.426 2.074 20 30 FEEDLO COc1ccccc1N1CC[NH+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000032830787 539955328 /nfs/dbraw/zinc/95/53/28/539955328.db2.gz ACDRNEYXXHISES-JXFKEZNVSA-N 1 2 358.486 2.260 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCc3ccc(O)cc3)CC2)cc1 ZINC000045531106 540215997 /nfs/dbraw/zinc/21/59/97/540215997.db2.gz ILSUQILPAHARTF-UHFFFAOYSA-N 1 2 350.422 2.291 20 30 FEEDLO N#Cc1cccc(CNC(=O)N2CCN(Cc3cn4ccccc4[nH+]3)CC2)c1 ZINC000046040607 540239208 /nfs/dbraw/zinc/23/92/08/540239208.db2.gz IDHJJFPDRKSTFU-UHFFFAOYSA-N 1 2 374.448 2.233 20 30 FEEDLO N#Cc1ccc(CNC(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)cc1 ZINC000048982649 540378742 /nfs/dbraw/zinc/37/87/42/540378742.db2.gz GNJHKDMBBXSYTN-FQEVSTJZSA-N 1 2 364.449 2.431 20 30 FEEDLO COc1ccc(C#N)cc1NC(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000050108288 540399529 /nfs/dbraw/zinc/39/95/29/540399529.db2.gz NJIJGSGSUDGFLS-UHFFFAOYSA-N 1 2 367.409 2.120 20 30 FEEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)c2ccc3[nH]c(C(F)F)nc3c2)c1C#N ZINC000534795334 540413271 /nfs/dbraw/zinc/41/32/71/540413271.db2.gz SGSUDNKOHROTQS-UHFFFAOYSA-N 1 2 373.367 2.500 20 30 FEEDLO CN(CC1CCCCC1)C(=O)C[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000052508612 540469568 /nfs/dbraw/zinc/46/95/68/540469568.db2.gz NHOXUPCRSBUBTH-UHFFFAOYSA-N 1 2 355.486 2.114 20 30 FEEDLO C[C@@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)[NH+]1CCC(C#N)CC1 ZINC000057906952 540823405 /nfs/dbraw/zinc/82/34/05/540823405.db2.gz OJOZRXHMTACTFT-UGFPPAMCSA-N 1 2 358.486 2.405 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCCN(C(=O)CC2CCCC2)CC1 ZINC000058579256 540850174 /nfs/dbraw/zinc/85/01/74/540850174.db2.gz GQUXGSAGNOVHIQ-HXUWFJFHSA-N 1 2 362.518 2.155 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCCN(C(=O)CC2CCCC2)CC1 ZINC000058579256 540850177 /nfs/dbraw/zinc/85/01/77/540850177.db2.gz GQUXGSAGNOVHIQ-HXUWFJFHSA-N 1 2 362.518 2.155 20 30 FEEDLO C[C@@H]1CCC[C@H](NC(=O)C[NH+]2CCN(c3ccc(C#N)cn3)CC2)[C@@H]1C ZINC000060481837 541114044 /nfs/dbraw/zinc/11/40/44/541114044.db2.gz QRGMOENGXJLVMO-NUJGCVRESA-N 1 2 355.486 2.016 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1ccc(OC(F)(F)F)cc1 ZINC000060634256 541119695 /nfs/dbraw/zinc/11/96/95/541119695.db2.gz BJXQTAUUVFPGDW-UHFFFAOYSA-N 1 2 371.359 2.273 20 30 FEEDLO C=C(C)C[N@@H+](CC)CC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000061758575 541138040 /nfs/dbraw/zinc/13/80/40/541138040.db2.gz LSECNENHULCDFM-OAHLLOKOSA-N 1 2 370.540 2.162 20 30 FEEDLO C=C(C)C[N@H+](CC)CC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000061758575 541138043 /nfs/dbraw/zinc/13/80/43/541138043.db2.gz LSECNENHULCDFM-OAHLLOKOSA-N 1 2 370.540 2.162 20 30 FEEDLO C=CCOc1cccc(NC(=O)C(=O)NCc2cn3cc(C)ccc3[nH+]2)c1 ZINC000067376457 541451726 /nfs/dbraw/zinc/45/17/26/541451726.db2.gz DYWWPNKYLTVCLZ-UHFFFAOYSA-N 1 2 364.405 2.462 20 30 FEEDLO COc1ccccc1[C@H](C)NC(=O)CO[NH+]=C(N)Cc1csc(C)n1 ZINC000067953700 541532999 /nfs/dbraw/zinc/53/29/99/541532999.db2.gz LWVQZKSGTGULJS-NSHDSACASA-N 1 2 362.455 2.169 20 30 FEEDLO N#Cc1ccc(-n2ccc(NC(=O)[C@H]3CCn4c[nH+]cc4C3)n2)c(F)c1 ZINC000543919966 541683798 /nfs/dbraw/zinc/68/37/98/541683798.db2.gz PEVMIUKPTLUWJN-ZDUSSCGKSA-N 1 2 350.357 2.281 20 30 FEEDLO C[C@H]1CCCCN1C(=O)CO[NH+]=C(N)c1ccc(N2CCCCC2)nc1 ZINC000069647607 541701951 /nfs/dbraw/zinc/70/19/51/541701951.db2.gz JXFIBRREMAPGCF-HNNXBMFYSA-N 1 2 359.474 2.110 20 30 FEEDLO C[C@H](C(=O)N1[C@@H](C)CCC[C@@H]1C)[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000073108385 541919722 /nfs/dbraw/zinc/91/97/22/541919722.db2.gz XYMVBBVZUVNZOP-YESZJQIVSA-N 1 2 355.486 2.253 20 30 FEEDLO CCN(Cc1ccccc1)C(=O)C[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000073108619 541919786 /nfs/dbraw/zinc/91/97/86/541919786.db2.gz HZNFYYZMOAGAFL-UHFFFAOYSA-N 1 2 363.465 2.124 20 30 FEEDLO N#Cc1ccc(NC(=O)C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1Cl ZINC000075531784 542185230 /nfs/dbraw/zinc/18/52/30/542185230.db2.gz FPDHJUVDQUJZPL-LBPRGKRZSA-N 1 2 357.801 2.279 20 30 FEEDLO N#Cc1ccc(NC(=O)C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1Cl ZINC000075531786 542185375 /nfs/dbraw/zinc/18/53/75/542185375.db2.gz FPDHJUVDQUJZPL-GFCCVEGCSA-N 1 2 357.801 2.279 20 30 FEEDLO N#Cc1cccc(-c2nnc(C[N@H+]3CCC[C@@H]3[C@H](O)C(F)(F)F)o2)c1 ZINC000075719148 542200833 /nfs/dbraw/zinc/20/08/33/542200833.db2.gz UTYFXVCZGITRCL-OCCSQVGLSA-N 1 2 352.316 2.496 20 30 FEEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3CCC[C@@H]3[C@H](O)C(F)(F)F)o2)c1 ZINC000075719148 542200836 /nfs/dbraw/zinc/20/08/36/542200836.db2.gz UTYFXVCZGITRCL-OCCSQVGLSA-N 1 2 352.316 2.496 20 30 FEEDLO N#Cc1ccsc1NC(=O)C[NH+]1CCC(C(=O)N2CCCCC2)CC1 ZINC000057902225 206785213 /nfs/dbraw/zinc/78/52/13/206785213.db2.gz MJSGWSBRHFJWQK-UHFFFAOYSA-N 1 2 360.483 2.283 20 30 FEEDLO Cc1oc(NC(=O)C[NH+]2CCC(CC(=O)N3CCCC3)CC2)c(C#N)c1C ZINC000076997670 542340245 /nfs/dbraw/zinc/34/02/45/542340245.db2.gz LBFLXDBWSLHKDF-UHFFFAOYSA-N 1 2 372.469 2.431 20 30 FEEDLO CC(C)CCC[C@@H](C)NC(=O)C[N@@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000247409694 549330634 /nfs/dbraw/zinc/33/06/34/549330634.db2.gz RPOMJWRGJLLBEQ-IAGOWNOFSA-N 1 2 372.517 2.190 20 30 FEEDLO CC(C)CCC[C@@H](C)NC(=O)C[N@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000247409694 549330637 /nfs/dbraw/zinc/33/06/37/549330637.db2.gz RPOMJWRGJLLBEQ-IAGOWNOFSA-N 1 2 372.517 2.190 20 30 FEEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000077466336 542384916 /nfs/dbraw/zinc/38/49/16/542384916.db2.gz HIRFMYXFJALHGT-LSDHHAIUSA-N 1 2 361.515 2.306 20 30 FEEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000077466336 542384918 /nfs/dbraw/zinc/38/49/18/542384918.db2.gz HIRFMYXFJALHGT-LSDHHAIUSA-N 1 2 361.515 2.306 20 30 FEEDLO CC(=O)c1cc(F)cc(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)c1O ZINC000079398507 542515540 /nfs/dbraw/zinc/51/55/40/542515540.db2.gz TVSHVIAEXZJWND-UHFFFAOYSA-N 1 2 354.385 2.323 20 30 FEEDLO COc1ccccc1-c1cnc(CN(CCC#N)CC[NH+]2CCOCC2)o1 ZINC000081515414 542662398 /nfs/dbraw/zinc/66/23/98/542662398.db2.gz ZGEIJJKIJSMQOT-UHFFFAOYSA-N 1 2 370.453 2.398 20 30 FEEDLO N#Cc1ccc(N2CC[NH+](CC(=O)N3CCCc4ccccc43)CC2)nc1 ZINC000115675332 132247623 /nfs/dbraw/zinc/24/76/23/132247623.db2.gz VDASNWCAGWXECR-UHFFFAOYSA-N 1 2 361.449 2.055 20 30 FEEDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)Cc2cccc(OCC#N)c2)C1 ZINC000089856287 542771613 /nfs/dbraw/zinc/77/16/13/542771613.db2.gz JTOKXOLQYLNMBU-KRWDZBQOSA-N 1 2 352.438 2.346 20 30 FEEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCC[C@@H](N3CCNC3=O)C2)c1C#N ZINC000091069770 542793026 /nfs/dbraw/zinc/79/30/26/542793026.db2.gz WMHHACCEYSZTDJ-QGZVFWFLSA-N 1 2 364.453 2.042 20 30 FEEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CCC[C@@H](N3CCNC3=O)C2)c1C#N ZINC000091069770 542793028 /nfs/dbraw/zinc/79/30/28/542793028.db2.gz WMHHACCEYSZTDJ-QGZVFWFLSA-N 1 2 364.453 2.042 20 30 FEEDLO N#Cc1cc(F)ccc1C[NH+]1CCC(Oc2ccnc(C(N)=O)c2)CC1 ZINC000093261135 542921915 /nfs/dbraw/zinc/92/19/15/542921915.db2.gz GISNNCGTSYOWEJ-UHFFFAOYSA-N 1 2 354.385 2.235 20 30 FEEDLO C[C@H](C(=O)NCc1cccs1)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000101554692 543032324 /nfs/dbraw/zinc/03/23/24/543032324.db2.gz WGMWNWNBCMXGSE-OAHLLOKOSA-N 1 2 354.479 2.447 20 30 FEEDLO CN(C(=O)C[NH+]1CCN(Cc2ccccc2C#N)CC1)C1CCCCC1 ZINC000103149957 543095070 /nfs/dbraw/zinc/09/50/70/543095070.db2.gz CGEHQEGPBUZUHW-UHFFFAOYSA-N 1 2 354.498 2.467 20 30 FEEDLO N#Cc1cc(S(=O)(=O)NCC[N@@H+]2CCc3ccccc3C2)ccc1F ZINC000103153622 543095959 /nfs/dbraw/zinc/09/59/59/543095959.db2.gz SWDAAAWYJDOWEB-UHFFFAOYSA-N 1 2 359.426 2.034 20 30 FEEDLO N#Cc1cc(S(=O)(=O)NCC[N@H+]2CCc3ccccc3C2)ccc1F ZINC000103153622 543095962 /nfs/dbraw/zinc/09/59/62/543095962.db2.gz SWDAAAWYJDOWEB-UHFFFAOYSA-N 1 2 359.426 2.034 20 30 FEEDLO C[C@H](C(=O)NC1CCCC1)N1CC[NH+](CCOc2ccccc2C#N)CC1 ZINC000103491598 543111945 /nfs/dbraw/zinc/11/19/45/543111945.db2.gz NIHQXTYFBXFZQS-QGZVFWFLSA-N 1 2 370.497 2.002 20 30 FEEDLO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(CCOc2ccccc2C#N)CC1 ZINC000103491598 543111946 /nfs/dbraw/zinc/11/19/46/543111946.db2.gz NIHQXTYFBXFZQS-QGZVFWFLSA-N 1 2 370.497 2.002 20 30 FEEDLO CNC(=O)[C@H]1CCCC[N@@H+]1CC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000104671885 543136619 /nfs/dbraw/zinc/13/66/19/543136619.db2.gz ILDFONWKWIJKGH-GOSISDBHSA-N 1 2 356.470 2.151 20 30 FEEDLO CNC(=O)[C@H]1CCCC[N@H+]1CC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000104671885 543136621 /nfs/dbraw/zinc/13/66/21/543136621.db2.gz ILDFONWKWIJKGH-GOSISDBHSA-N 1 2 356.470 2.151 20 30 FEEDLO N#Cc1ccc(CNC(=O)N2CC[NH+](Cc3cccnc3)CC2)c(F)c1 ZINC000105722428 543181008 /nfs/dbraw/zinc/18/10/08/543181008.db2.gz HEPMKDBUQTXCJS-UHFFFAOYSA-N 1 2 353.401 2.120 20 30 FEEDLO CC(C)C[N@H+](CC(N)=O)CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000108358213 543287625 /nfs/dbraw/zinc/28/76/25/543287625.db2.gz BMNXHHDRDOZFCY-CQSZACIVSA-N 1 2 362.499 2.320 20 30 FEEDLO CC(C)C[N@@H+](CC(N)=O)CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000108358213 543287627 /nfs/dbraw/zinc/28/76/27/543287627.db2.gz BMNXHHDRDOZFCY-CQSZACIVSA-N 1 2 362.499 2.320 20 30 FEEDLO C=CC[N@@H+](Cc1cc(Cl)c2c(c1)OCCO2)[C@@H]1CCS(=O)(=O)C1 ZINC000109133513 543314917 /nfs/dbraw/zinc/31/49/17/543314917.db2.gz COOUGOWBGDDZFT-CYBMUJFWSA-N 1 2 357.859 2.286 20 30 FEEDLO C=CC[N@H+](Cc1cc(Cl)c2c(c1)OCCO2)[C@@H]1CCS(=O)(=O)C1 ZINC000109133513 543314920 /nfs/dbraw/zinc/31/49/20/543314920.db2.gz COOUGOWBGDDZFT-CYBMUJFWSA-N 1 2 357.859 2.286 20 30 FEEDLO COC(=O)CCc1nc(CO[NH+]=C(N)c2cccc(C(F)(F)F)c2)no1 ZINC000111176418 543383912 /nfs/dbraw/zinc/38/39/12/543383912.db2.gz QSLOTHGPCXPRKH-UHFFFAOYSA-N 1 2 372.303 2.031 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@H]1C[C@H]1c1ccc(F)cc1F ZINC000112887837 543466034 /nfs/dbraw/zinc/46/60/34/543466034.db2.gz DVQKPUYHQIHGOA-IRXDYDNUSA-N 1 2 363.408 2.143 20 30 FEEDLO COc1ccccc1NC(=O)[C@H](C)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000115675234 543581064 /nfs/dbraw/zinc/58/10/64/543581064.db2.gz KDPAUTHTVYBZET-HNNXBMFYSA-N 1 2 365.437 2.111 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1cc(F)cc2cccnc21 ZINC000120334286 543678865 /nfs/dbraw/zinc/67/88/65/543678865.db2.gz DYQNNUBHRBFBET-UHFFFAOYSA-N 1 2 356.401 2.062 20 30 FEEDLO C=CCNC(=O)CN1CC[NH+](Cc2cccc(OC(F)(F)F)c2)CC1 ZINC000122245934 543705194 /nfs/dbraw/zinc/70/51/94/543705194.db2.gz SVEFMZZLBOYREY-UHFFFAOYSA-N 1 2 357.376 2.005 20 30 FEEDLO C=CCCOCCNC(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000127194786 543977870 /nfs/dbraw/zinc/97/78/70/543977870.db2.gz RKWSMBPDUHWUEU-LJQANCHMSA-N 1 2 361.486 2.260 20 30 FEEDLO C[N@H+](CCOc1ccc(F)cc1)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000128350691 544047743 /nfs/dbraw/zinc/04/77/43/544047743.db2.gz PBXNRBDJMFBCID-UHFFFAOYSA-N 1 2 362.426 2.482 20 30 FEEDLO C[N@@H+](CCOc1ccc(F)cc1)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000128350691 544047745 /nfs/dbraw/zinc/04/77/45/544047745.db2.gz PBXNRBDJMFBCID-UHFFFAOYSA-N 1 2 362.426 2.482 20 30 FEEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000132215937 544223272 /nfs/dbraw/zinc/22/32/72/544223272.db2.gz FRUMVRDHBORPEC-OOHWJJMZSA-N 1 2 368.441 2.228 20 30 FEEDLO N#Cc1ccnc(NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1[N+](=O)[O-] ZINC000132531365 544234550 /nfs/dbraw/zinc/23/45/50/544234550.db2.gz LKXFHCSFTLPLDE-INIZCTEOSA-N 1 2 353.382 2.174 20 30 FEEDLO N#Cc1ccnc(NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1[N+](=O)[O-] ZINC000132531365 544234552 /nfs/dbraw/zinc/23/45/52/544234552.db2.gz LKXFHCSFTLPLDE-INIZCTEOSA-N 1 2 353.382 2.174 20 30 FEEDLO COCCCOc1cccc(C[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)c1 ZINC000154842954 544956272 /nfs/dbraw/zinc/95/62/72/544956272.db2.gz LPMLXAYOXRMWSJ-LJQANCHMSA-N 1 2 353.422 2.290 20 30 FEEDLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+]1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000187571184 328033972 /nfs/dbraw/zinc/03/39/72/328033972.db2.gz CPTMQOKPVVRCFE-UYAOXDASSA-N 1 2 366.417 2.245 20 30 FEEDLO COC(=O)[C@H]1C[C@@H](O)C[N@H+]1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000187571184 328033973 /nfs/dbraw/zinc/03/39/73/328033973.db2.gz CPTMQOKPVVRCFE-UYAOXDASSA-N 1 2 366.417 2.245 20 30 FEEDLO CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000193096888 328357343 /nfs/dbraw/zinc/35/73/43/328357343.db2.gz KYZIOIABSHQELG-UHFFFAOYSA-N 1 2 368.441 2.113 20 30 FEEDLO Cn1ncc2c1nc[nH+]c2S[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000021755021 324396760 /nfs/dbraw/zinc/39/67/60/324396760.db2.gz YFHSEOUBYBFAOE-CQSZACIVSA-N 1 2 350.407 2.133 20 30 FEEDLO N#Cc1cccc(CNC(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)c1 ZINC000048215484 324658198 /nfs/dbraw/zinc/65/81/98/324658198.db2.gz GUGNWQXYCPJSLS-HXUWFJFHSA-N 1 2 364.449 2.431 20 30 FEEDLO N#Cc1ccsc1C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000052050536 324711293 /nfs/dbraw/zinc/71/12/93/324711293.db2.gz JQGYIAOBORSOLS-UHFFFAOYSA-N 1 2 371.462 2.261 20 30 FEEDLO CC(C)(C)OC(=O)[C@H]1CC[N@@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000083250099 325217689 /nfs/dbraw/zinc/21/76/89/325217689.db2.gz UFMXGJJEDOFFLQ-UONOGXRCSA-N 1 2 361.467 2.389 20 30 FEEDLO CC(C)(C)OC(=O)[C@H]1CC[N@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000083250099 325217691 /nfs/dbraw/zinc/21/76/91/325217691.db2.gz UFMXGJJEDOFFLQ-UONOGXRCSA-N 1 2 361.467 2.389 20 30 FEEDLO Cc1cccn2cc(C[S@@](=O)CC(=O)Nc3cccc(C#N)c3)[nH+]c12 ZINC000083953760 325226585 /nfs/dbraw/zinc/22/65/85/325226585.db2.gz MZPRYJHOKFYOQS-VWLOTQADSA-N 1 2 352.419 2.402 20 30 FEEDLO Cc1csc(N2CC[NH+]([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)CC2)n1 ZINC000101544432 325470471 /nfs/dbraw/zinc/47/04/71/325470471.db2.gz NWRNAADWHXMNEJ-QGZVFWFLSA-N 1 2 367.478 2.251 20 30 FEEDLO Cc1nn(C)c(C)c1NC(=O)C[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000104714510 325542959 /nfs/dbraw/zinc/54/29/59/325542959.db2.gz NFNIARNBKIJTLT-UHFFFAOYSA-N 1 2 367.453 2.391 20 30 FEEDLO N#Cc1ccc([C@H]([NH2+][C@H]2CCN(c3ccccc3Cl)C2=O)C(N)=O)cc1 ZINC000115599957 325969405 /nfs/dbraw/zinc/96/94/05/325969405.db2.gz KAEXQAPSWVQQHS-RDJZCZTQSA-N 1 2 368.824 2.133 20 30 FEEDLO COc1cc(C#N)ccc1C[N@@H+](CC(=O)N1CCCC1)C[C@@H]1CCCO1 ZINC000121088629 326312133 /nfs/dbraw/zinc/31/21/33/326312133.db2.gz REBNISLWVKMSIO-SFHVURJKSA-N 1 2 357.454 2.170 20 30 FEEDLO COc1cc(C#N)ccc1C[N@H+](CC(=O)N1CCCC1)C[C@@H]1CCCO1 ZINC000121088629 326312135 /nfs/dbraw/zinc/31/21/35/326312135.db2.gz REBNISLWVKMSIO-SFHVURJKSA-N 1 2 357.454 2.170 20 30 FEEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000132216135 326588939 /nfs/dbraw/zinc/58/89/39/326588939.db2.gz FRUMVRDHBORPEC-ODIFPOPNSA-N 1 2 368.441 2.228 20 30 FEEDLO Cc1cccc(S(=O)(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)c1C#N ZINC000156299839 326825425 /nfs/dbraw/zinc/82/54/25/326825425.db2.gz ARDGQYLGGMLOBZ-GJZGRUSLSA-N 1 2 365.499 2.033 20 30 FEEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)NCc1cccc(C#N)c1 ZINC000162466082 327026507 /nfs/dbraw/zinc/02/65/07/327026507.db2.gz VSLDBCPICYITRY-UHFFFAOYSA-N 1 2 351.410 2.420 20 30 FEEDLO N#Cc1cc(F)ccc1S(=O)(=O)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000166116335 327080464 /nfs/dbraw/zinc/08/04/64/327080464.db2.gz TVWYSTHWCCIHSN-OAHLLOKOSA-N 1 2 360.414 2.040 20 30 FEEDLO Cn1cc[nH+]c1-c1cccc(NC(=O)CNC(=O)c2ccc(C#N)cc2)c1 ZINC000171113953 327119068 /nfs/dbraw/zinc/11/90/68/327119068.db2.gz UUWSBGXAVBXCBG-UHFFFAOYSA-N 1 2 359.389 2.327 20 30 FEEDLO N#Cc1c[nH]c(C(=O)N2CC[NH+](CCOc3ccccc3Cl)CC2)c1 ZINC000175170930 327378160 /nfs/dbraw/zinc/37/81/60/327378160.db2.gz QVGUQTLFCLMPBA-UHFFFAOYSA-N 1 2 358.829 2.377 20 30 FEEDLO COC(=O)[C@H](NC[C@H](CC(C)C)[NH+]1CCOCC1)c1cccc(C#N)c1 ZINC000176713915 327471422 /nfs/dbraw/zinc/47/14/22/327471422.db2.gz KFZSAGDEPLEULH-RBUKOAKNSA-N 1 2 359.470 2.109 20 30 FEEDLO N#Cc1cccc(NC(=O)CN2CC[NH+](Cc3cccc(F)c3)CC2)c1 ZINC000178161309 327569063 /nfs/dbraw/zinc/56/90/63/327569063.db2.gz WTGPKEIWUAZWBT-UHFFFAOYSA-N 1 2 352.413 2.454 20 30 FEEDLO COCC[N@H+](CC(=O)Nc1sccc1C#N)Cc1ccc2c(c1)OCO2 ZINC000265104394 329091489 /nfs/dbraw/zinc/09/14/89/329091489.db2.gz FTJQLFPRFXUNFP-UHFFFAOYSA-N 1 2 373.434 2.436 20 30 FEEDLO COCC[N@@H+](CC(=O)Nc1sccc1C#N)Cc1ccc2c(c1)OCO2 ZINC000265104394 329091491 /nfs/dbraw/zinc/09/14/91/329091491.db2.gz FTJQLFPRFXUNFP-UHFFFAOYSA-N 1 2 373.434 2.436 20 30 FEEDLO CC1(C)[C@H](NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)[C@@H]2CCO[C@H]21 ZINC000265983658 329179029 /nfs/dbraw/zinc/17/90/29/329179029.db2.gz PBCBUVPVAWDYDI-IPMKNSEASA-N 1 2 368.481 2.199 20 30 FEEDLO CNc1cc(N2CCC[C@@H]2CNC(=O)/C=C/c2ccc(C#N)cc2)nc[nH+]1 ZINC000266313067 329210443 /nfs/dbraw/zinc/21/04/43/329210443.db2.gz GOYUMALRCGEMPV-KBOKABMXSA-N 1 2 362.437 2.188 20 30 FEEDLO CNc1cc(N2CCC[C@@H]2CNC(=O)/C=C/c2ccc(C#N)cc2)[nH+]cn1 ZINC000266313067 329210445 /nfs/dbraw/zinc/21/04/45/329210445.db2.gz GOYUMALRCGEMPV-KBOKABMXSA-N 1 2 362.437 2.188 20 30 FEEDLO N#Cc1ccnc(N2CC[NH+](Cc3nc4cc([N+](=O)[O-])ccc4o3)CC2)c1 ZINC000267563319 329338516 /nfs/dbraw/zinc/33/85/16/329338516.db2.gz HUXRWPAHQXPKLA-UHFFFAOYSA-N 1 2 364.365 2.325 20 30 FEEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](CNC(=O)C(C)C)C1 ZINC000267564074 329338719 /nfs/dbraw/zinc/33/87/19/329338719.db2.gz BLFAOBNSCUWGBF-FUHWJXTLSA-N 1 2 357.454 2.257 20 30 FEEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](CNC(=O)C(C)C)C1 ZINC000267564074 329338720 /nfs/dbraw/zinc/33/87/20/329338720.db2.gz BLFAOBNSCUWGBF-FUHWJXTLSA-N 1 2 357.454 2.257 20 30 FEEDLO CO[C@H](C)c1nc(C[N@@H+]2CCCN(c3nccnc3C#N)CC2)cs1 ZINC000267804383 329359464 /nfs/dbraw/zinc/35/94/64/329359464.db2.gz REPKZYFHGXHPKX-CYBMUJFWSA-N 1 2 358.471 2.224 20 30 FEEDLO CO[C@H](C)c1nc(C[N@H+]2CCCN(c3nccnc3C#N)CC2)cs1 ZINC000267804383 329359466 /nfs/dbraw/zinc/35/94/66/329359466.db2.gz REPKZYFHGXHPKX-CYBMUJFWSA-N 1 2 358.471 2.224 20 30 FEEDLO CCc1nnc(NCc2ccc(N3CCOCC3)[nH+]c2)c(C#N)c1CC ZINC000268119082 329387183 /nfs/dbraw/zinc/38/71/83/329387183.db2.gz BCNVVTWLDRCOBK-UHFFFAOYSA-N 1 2 352.442 2.317 20 30 FEEDLO CC(C)[C@@H]([NH2+]CC(=O)NCc1ccc(C#N)cc1)c1nc(C2CC2)no1 ZINC000272004332 329744097 /nfs/dbraw/zinc/74/40/97/329744097.db2.gz IVFIWGXJXCPOJF-QGZVFWFLSA-N 1 2 353.426 2.422 20 30 FEEDLO CCOC(=O)C1(O)CC[NH+](Cc2ccc(C#N)cc2Br)CC1 ZINC000272568097 329792461 /nfs/dbraw/zinc/79/24/61/329792461.db2.gz QJWZIYUNYDEVNI-UHFFFAOYSA-N 1 2 367.243 2.211 20 30 FEEDLO Cc1n[nH]c(C)c1[C@@H](C)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000273163139 329841954 /nfs/dbraw/zinc/84/19/54/329841954.db2.gz ZOLDESKFXBRFCO-CQSZACIVSA-N 1 2 351.454 2.346 20 30 FEEDLO N#Cc1ccsc1NC(=O)C[NH+]1CCC(c2nnc3n2CCCC3)CC1 ZINC000274949486 329996018 /nfs/dbraw/zinc/99/60/18/329996018.db2.gz GQOCIJJDRLTNNI-UHFFFAOYSA-N 1 2 370.482 2.366 20 30 FEEDLO CC(C)N(C(=O)C[N@@H+]1CCN(c2nccnc2C#N)C[C@@H]1C)C1CCCC1 ZINC000155547134 545541567 /nfs/dbraw/zinc/54/15/67/545541567.db2.gz RFHFIILRKJMFNB-INIZCTEOSA-N 1 2 370.501 2.038 20 30 FEEDLO CC(C)N(C(=O)C[N@H+]1CCN(c2nccnc2C#N)C[C@@H]1C)C1CCCC1 ZINC000155547134 545541575 /nfs/dbraw/zinc/54/15/75/545541575.db2.gz RFHFIILRKJMFNB-INIZCTEOSA-N 1 2 370.501 2.038 20 30 FEEDLO N#Cc1ccc(OCC(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)cc1 ZINC000155725448 545562343 /nfs/dbraw/zinc/56/23/43/545562343.db2.gz NLQIPOIDGDIKNS-UHFFFAOYSA-N 1 2 353.397 2.421 20 30 FEEDLO C=CCOc1ccc(C[N@H+](C2CC2)[C@@H]2CCS(=O)(=O)C2)cc1OC ZINC000157051925 545694804 /nfs/dbraw/zinc/69/48/04/545694804.db2.gz GUJOKONISFBFGW-MRXNPFEDSA-N 1 2 351.468 2.412 20 30 FEEDLO C=CCOc1ccc(C[N@@H+](C2CC2)[C@@H]2CCS(=O)(=O)C2)cc1OC ZINC000157051925 545694809 /nfs/dbraw/zinc/69/48/09/545694809.db2.gz GUJOKONISFBFGW-MRXNPFEDSA-N 1 2 351.468 2.412 20 30 FEEDLO CO[C@@H]1CC[C@@H]2OCC[N@H+](CC(=O)Nc3ccc(C#N)c(Cl)c3)[C@@H]2C1 ZINC000158004513 545811629 /nfs/dbraw/zinc/81/16/29/545811629.db2.gz BTYHBOFAJIFRTF-OIISXLGYSA-N 1 2 363.845 2.418 20 30 FEEDLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](CC(=O)Nc3ccc(C#N)c(Cl)c3)[C@@H]2C1 ZINC000158004513 545811633 /nfs/dbraw/zinc/81/16/33/545811633.db2.gz BTYHBOFAJIFRTF-OIISXLGYSA-N 1 2 363.845 2.418 20 30 FEEDLO CC[N@H+](CCOc1ccc(C#N)cc1OC)[C@H](C)CS(=O)(=O)CC ZINC000158142250 545827688 /nfs/dbraw/zinc/82/76/88/545827688.db2.gz BWFKHGHNPMVOBD-CQSZACIVSA-N 1 2 354.472 2.091 20 30 FEEDLO CC[N@@H+](CCOc1ccc(C#N)cc1OC)[C@H](C)CS(=O)(=O)CC ZINC000158142250 545827692 /nfs/dbraw/zinc/82/76/92/545827692.db2.gz BWFKHGHNPMVOBD-CQSZACIVSA-N 1 2 354.472 2.091 20 30 FEEDLO CC(C)c1noc2ncc(C(=O)N(CCC#N)CC[NH+]3CCOCC3)cc21 ZINC000478220035 561162315 /nfs/dbraw/zinc/16/23/15/561162315.db2.gz NTARPQDUYOOVGN-UHFFFAOYSA-N 1 2 371.441 2.034 20 30 FEEDLO C=CC[N@@H+](CCN1C(=O)CNC1=O)Cc1cc(Br)ccc1F ZINC000159551520 545962612 /nfs/dbraw/zinc/96/26/12/545962612.db2.gz VHSVXFKAEXDQQC-UHFFFAOYSA-N 1 2 370.222 2.128 20 30 FEEDLO C=CC[N@H+](CCN1C(=O)CNC1=O)Cc1cc(Br)ccc1F ZINC000159551520 545962614 /nfs/dbraw/zinc/96/26/14/545962614.db2.gz VHSVXFKAEXDQQC-UHFFFAOYSA-N 1 2 370.222 2.128 20 30 FEEDLO C#CCNC(=O)c1ccccc1NC(=O)C[N@@H+]1CCc2sccc2C1 ZINC000161342391 546121010 /nfs/dbraw/zinc/12/10/10/546121010.db2.gz PZEGATFCDKWDFC-UHFFFAOYSA-N 1 2 353.447 2.108 20 30 FEEDLO C#CCNC(=O)c1ccccc1NC(=O)C[N@H+]1CCc2sccc2C1 ZINC000161342391 546121013 /nfs/dbraw/zinc/12/10/13/546121013.db2.gz PZEGATFCDKWDFC-UHFFFAOYSA-N 1 2 353.447 2.108 20 30 FEEDLO C[N@@H+]1CC[C@@H](NS(=O)(=O)CCCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000167926514 546158759 /nfs/dbraw/zinc/15/87/59/546158759.db2.gz ITZIPVIOGOTCLA-CABCVRRESA-N 1 2 359.854 2.447 20 30 FEEDLO C[N@H+]1CC[C@@H](NS(=O)(=O)CCCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000167926514 546158760 /nfs/dbraw/zinc/15/87/60/546158760.db2.gz ITZIPVIOGOTCLA-CABCVRRESA-N 1 2 359.854 2.447 20 30 FEEDLO N#CCc1cccc(C(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)c1 ZINC000171886313 546229978 /nfs/dbraw/zinc/22/99/78/546229978.db2.gz GYRKEEHDBWRXLE-NRFANRHFSA-N 1 2 363.461 2.426 20 30 FEEDLO COC(=O)c1ccc(C[N@H+](C)CCS(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000176205788 546419498 /nfs/dbraw/zinc/41/94/98/546419498.db2.gz QEIYSVHOUKJAQA-UHFFFAOYSA-N 1 2 372.446 2.251 20 30 FEEDLO COC(=O)c1ccc(C[N@@H+](C)CCS(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000176205788 546419500 /nfs/dbraw/zinc/41/95/00/546419500.db2.gz QEIYSVHOUKJAQA-UHFFFAOYSA-N 1 2 372.446 2.251 20 30 FEEDLO C[C@H]1CCN(S(=O)(=O)Cc2ccc(C#N)cc2F)C[C@H]1n1cc[nH+]c1 ZINC000480676078 561214091 /nfs/dbraw/zinc/21/40/91/561214091.db2.gz ASGSGDVSQRLJRY-SUMWQHHRSA-N 1 2 362.430 2.307 20 30 FEEDLO CC(C)(CCC#N)C[NH+]1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000179539776 546973678 /nfs/dbraw/zinc/97/36/78/546973678.db2.gz JHJSDVAQXQZIJW-UHFFFAOYSA-N 1 2 353.463 2.462 20 30 FEEDLO C=CCCC[C@H](C)NC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000180503890 547120850 /nfs/dbraw/zinc/12/08/50/547120850.db2.gz PWDWKIYGUPCBSD-KRWDZBQOSA-N 1 2 373.501 2.164 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC(C)(C)O[C@]2(CCCOC2)C1 ZINC000483351058 561274744 /nfs/dbraw/zinc/27/47/44/561274744.db2.gz FPEMZXVSVNLVET-AYOQOUSVSA-N 1 2 351.491 2.089 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC(C)(C)O[C@]2(CCCOC2)C1 ZINC000483351058 561274745 /nfs/dbraw/zinc/27/47/45/561274745.db2.gz FPEMZXVSVNLVET-AYOQOUSVSA-N 1 2 351.491 2.089 20 30 FEEDLO CC[N@H+](C[C@@H]1COc2ccccc2O1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000485051588 561311313 /nfs/dbraw/zinc/31/13/13/561311313.db2.gz RKGKXUIUSGYODP-VQIMIIECSA-N 1 2 351.406 2.247 20 30 FEEDLO CC[N@@H+](C[C@@H]1COc2ccccc2O1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000485051588 561311314 /nfs/dbraw/zinc/31/13/14/561311314.db2.gz RKGKXUIUSGYODP-VQIMIIECSA-N 1 2 351.406 2.247 20 30 FEEDLO CC[N@H+](C[C@H]1COc2ccccc2O1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000485051586 561311366 /nfs/dbraw/zinc/31/13/66/561311366.db2.gz RKGKXUIUSGYODP-LPHOPBHVSA-N 1 2 351.406 2.247 20 30 FEEDLO CC[N@@H+](C[C@H]1COc2ccccc2O1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000485051586 561311367 /nfs/dbraw/zinc/31/13/67/561311367.db2.gz RKGKXUIUSGYODP-LPHOPBHVSA-N 1 2 351.406 2.247 20 30 FEEDLO CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCN(c2ccc3ccccc3n2)CC1 ZINC000485125716 561313278 /nfs/dbraw/zinc/31/32/78/561313278.db2.gz UEWJZFSAGYHERY-QGZVFWFLSA-N 1 2 365.481 2.365 20 30 FEEDLO C=C(C)C[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1 ZINC000185055530 547925024 /nfs/dbraw/zinc/92/50/24/547925024.db2.gz KJFGMKJNNHTBIQ-OAHLLOKOSA-N 1 2 365.499 2.164 20 30 FEEDLO C=C(C)C[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC000185284925 547964908 /nfs/dbraw/zinc/96/49/08/547964908.db2.gz DSTAEDAWBWTDOI-OAHLLOKOSA-N 1 2 365.499 2.164 20 30 FEEDLO C[C@H](Oc1ccccc1C#N)C(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186443783 548136947 /nfs/dbraw/zinc/13/69/47/548136947.db2.gz OHFRWBIIKXRONE-INIZCTEOSA-N 1 2 350.422 2.459 20 30 FEEDLO COc1ccc2nc(CN(CCC#N)CC[NH+]3CCOCC3)sc2c1 ZINC000187112962 548251326 /nfs/dbraw/zinc/25/13/26/548251326.db2.gz HWQJNPDJVXTYTB-UHFFFAOYSA-N 1 2 360.483 2.353 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CC[C@H](C)C[C@@H]2C(N)=O)c1 ZINC000187448807 548257152 /nfs/dbraw/zinc/25/71/52/548257152.db2.gz YTCJSYGNEXMZLB-KBXCAEBGSA-N 1 2 356.470 2.136 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H](C)C[C@@H]2C(N)=O)c1 ZINC000187448807 548257154 /nfs/dbraw/zinc/25/71/54/548257154.db2.gz YTCJSYGNEXMZLB-KBXCAEBGSA-N 1 2 356.470 2.136 20 30 FEEDLO C=CC[C@H](C(=O)N1CC[NH+](CC(=O)N(CC)CC)CC1)c1ccccc1 ZINC000187600229 548259734 /nfs/dbraw/zinc/25/97/34/548259734.db2.gz BDGNEJGZMOTDRN-IBGZPJMESA-N 1 2 357.498 2.359 20 30 FEEDLO C=CCSc1ccccc1C(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC000486235197 561341926 /nfs/dbraw/zinc/34/19/26/561341926.db2.gz ZRBIFQJGTXVYOG-UHFFFAOYSA-N 1 2 357.483 2.014 20 30 FEEDLO N#CCOc1ccc(CNc2cc(N3CCCC[C@@H]3CO)nc[nH+]2)cc1 ZINC000192302111 548362929 /nfs/dbraw/zinc/36/29/29/548362929.db2.gz YOMZQDKEVZLWJB-MRXNPFEDSA-N 1 2 353.426 2.342 20 30 FEEDLO N#CCOc1ccc(CNc2cc(N3CCCC[C@@H]3CO)[nH+]cn2)cc1 ZINC000192302111 548362933 /nfs/dbraw/zinc/36/29/33/548362933.db2.gz YOMZQDKEVZLWJB-MRXNPFEDSA-N 1 2 353.426 2.342 20 30 FEEDLO C=CCOc1ccccc1C(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000193015570 548377597 /nfs/dbraw/zinc/37/75/97/548377597.db2.gz PDNPTCQLDHGIIE-UHFFFAOYSA-N 1 2 371.481 2.022 20 30 FEEDLO C=CCOc1ccccc1C(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000193015570 548377604 /nfs/dbraw/zinc/37/76/04/548377604.db2.gz PDNPTCQLDHGIIE-UHFFFAOYSA-N 1 2 371.481 2.022 20 30 FEEDLO Cc1oc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2nnc3ccccn32)c(C#N)c1C ZINC000193323678 548385975 /nfs/dbraw/zinc/38/59/75/548385975.db2.gz DIWMVBFNUZGTOH-RYUDHWBXSA-N 1 2 352.398 2.489 20 30 FEEDLO C=CCN(CC=C)C(=O)C[NH+]1CCN(Cc2cc(F)ccc2OC)CC1 ZINC000193624653 548391316 /nfs/dbraw/zinc/39/13/16/548391316.db2.gz AMGVJXOQPIJWMB-UHFFFAOYSA-N 1 2 361.461 2.153 20 30 FEEDLO C=CCSCCNC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1 ZINC000194565857 548499793 /nfs/dbraw/zinc/49/97/93/548499793.db2.gz NYCCRFPRESROFC-HUUCEWRRSA-N 1 2 364.515 2.414 20 30 FEEDLO COCc1cnc(C[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)s1 ZINC000486884378 561358860 /nfs/dbraw/zinc/35/88/60/561358860.db2.gz UUJNZXAEDOAXFK-INIZCTEOSA-N 1 2 356.451 2.052 20 30 FEEDLO COCc1cnc(C[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)s1 ZINC000486884379 561358892 /nfs/dbraw/zinc/35/88/92/561358892.db2.gz UUJNZXAEDOAXFK-MRXNPFEDSA-N 1 2 356.451 2.052 20 30 FEEDLO CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000487358447 561368264 /nfs/dbraw/zinc/36/82/64/561368264.db2.gz SOYTZRZZLBKCGA-ROUUACIJSA-N 1 2 353.426 2.008 20 30 FEEDLO CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000487358447 561368265 /nfs/dbraw/zinc/36/82/65/561368265.db2.gz SOYTZRZZLBKCGA-ROUUACIJSA-N 1 2 353.426 2.008 20 30 FEEDLO C=CCCC[C@@H](C)NC(=O)C(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000487805657 561376200 /nfs/dbraw/zinc/37/62/00/561376200.db2.gz WIAOKZWDIWAUGN-IAGOWNOFSA-N 1 2 358.486 2.148 20 30 FEEDLO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)NC2(C#N)CCCCC2)CCN1CC(F)F ZINC000245746559 548987170 /nfs/dbraw/zinc/98/71/70/548987170.db2.gz MZNVYKBUUBJZIL-HUUCEWRRSA-N 1 2 356.461 2.379 20 30 FEEDLO CC[C@@H]1C[N@H+]([C@H](C)C(=O)NC2(C#N)CCCCC2)CCN1CC(F)F ZINC000245746559 548987172 /nfs/dbraw/zinc/98/71/72/548987172.db2.gz MZNVYKBUUBJZIL-HUUCEWRRSA-N 1 2 356.461 2.379 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000488418806 561389616 /nfs/dbraw/zinc/38/96/16/561389616.db2.gz JWPUNDRHVBKSMP-DOMZBBRYSA-N 1 2 359.396 2.320 20 30 FEEDLO N#Cc1cc(S(=O)(=O)NCc2cn3cc(Cl)ccc3[nH+]2)ccc1F ZINC000488818162 561397671 /nfs/dbraw/zinc/39/76/71/561397671.db2.gz BIAXOFNQQRDJML-UHFFFAOYSA-N 1 2 364.789 2.477 20 30 FEEDLO N#Cc1ccc([C@@H](C(N)=O)[N@@H+]2CCC[C@H](Oc3ncccc3F)C2)cc1 ZINC000489012157 561401563 /nfs/dbraw/zinc/40/15/63/561401563.db2.gz GVHXVEAFDLJPRA-RDJZCZTQSA-N 1 2 354.385 2.162 20 30 FEEDLO N#Cc1ccc([C@@H](C(N)=O)[N@H+]2CCC[C@H](Oc3ncccc3F)C2)cc1 ZINC000489012157 561401564 /nfs/dbraw/zinc/40/15/64/561401564.db2.gz GVHXVEAFDLJPRA-RDJZCZTQSA-N 1 2 354.385 2.162 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)cc1F ZINC000489121348 561403951 /nfs/dbraw/zinc/40/39/51/561403951.db2.gz XQCOWTSFNRVEHP-UHFFFAOYSA-N 1 2 370.409 2.421 20 30 FEEDLO C=CCC(C)(C)CNC(=O)c1ccccc1S(=O)(=O)CC[NH+](C)C ZINC000490092763 561426379 /nfs/dbraw/zinc/42/63/79/561426379.db2.gz ZNYAPSZMZGCFEY-UHFFFAOYSA-N 1 2 352.500 2.354 20 30 FEEDLO CCCN(CC)c1ccc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)cn1 ZINC000263678703 549918347 /nfs/dbraw/zinc/91/83/47/549918347.db2.gz GSCNGATXIIGMPR-UHFFFAOYSA-N 1 2 373.501 2.006 20 30 FEEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2ccc(F)cc2C(F)(F)F)CC1 ZINC000264080016 549976716 /nfs/dbraw/zinc/97/67/16/549976716.db2.gz OAWGTHLQCSORCM-UHFFFAOYSA-N 1 2 364.364 2.174 20 30 FEEDLO COc1ccccc1C[C@H](C)CC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000264459255 549996534 /nfs/dbraw/zinc/99/65/34/549996534.db2.gz PZXWIBGEZSNZHB-SFHVURJKSA-N 1 2 373.497 2.338 20 30 FEEDLO C[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000264761539 550001014 /nfs/dbraw/zinc/00/10/14/550001014.db2.gz YHOVQXWIMNRPHQ-VQIMIIECSA-N 1 2 374.872 2.186 20 30 FEEDLO C[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000264761539 550001016 /nfs/dbraw/zinc/00/10/16/550001016.db2.gz YHOVQXWIMNRPHQ-VQIMIIECSA-N 1 2 374.872 2.186 20 30 FEEDLO COc1cccc(CNC(=O)[C@@H](C)O[NH+]=C(N)[C@H](C)OCC(C)C)c1 ZINC000266223268 550018438 /nfs/dbraw/zinc/01/84/38/550018438.db2.gz RSCYEYZNUQLKCS-UONOGXRCSA-N 1 2 351.447 2.050 20 30 FEEDLO C=CC[NH+](CC=C)[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1 ZINC000267839132 550034715 /nfs/dbraw/zinc/03/47/15/550034715.db2.gz ABKUWSRUPRHPRA-HNNXBMFYSA-N 1 2 365.499 2.374 20 30 FEEDLO Cc1nnc([C@@H]2CCC[N@H+](CC(=O)Nc3ccc(C#N)c(Cl)c3)C2)[nH]1 ZINC000268524407 550081484 /nfs/dbraw/zinc/08/14/84/550081484.db2.gz XLEVLLLEPUFRQO-CYBMUJFWSA-N 1 2 358.833 2.456 20 30 FEEDLO Cc1nnc([C@@H]2CCC[N@@H+](CC(=O)Nc3ccc(C#N)c(Cl)c3)C2)[nH]1 ZINC000268524407 550081487 /nfs/dbraw/zinc/08/14/87/550081487.db2.gz XLEVLLLEPUFRQO-CYBMUJFWSA-N 1 2 358.833 2.456 20 30 FEEDLO Cc1n[nH]c([C@@H]2CCC[N@H+](CC(=O)Nc3ccc(C#N)c(Cl)c3)C2)n1 ZINC000268524407 550081490 /nfs/dbraw/zinc/08/14/90/550081490.db2.gz XLEVLLLEPUFRQO-CYBMUJFWSA-N 1 2 358.833 2.456 20 30 FEEDLO Cc1n[nH]c([C@@H]2CCC[N@@H+](CC(=O)Nc3ccc(C#N)c(Cl)c3)C2)n1 ZINC000268524407 550081492 /nfs/dbraw/zinc/08/14/92/550081492.db2.gz XLEVLLLEPUFRQO-CYBMUJFWSA-N 1 2 358.833 2.456 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(c3ncncc3Br)CC2)cc1 ZINC000269047078 550148457 /nfs/dbraw/zinc/14/84/57/550148457.db2.gz VBNFXWZWRPEKRL-UHFFFAOYSA-N 1 2 358.243 2.433 20 30 FEEDLO CC1(C)C[NH+]=C(N2CCN(C(=O)NCc3cccc(C#N)c3)CC2)S1 ZINC000269978164 550240572 /nfs/dbraw/zinc/24/05/72/550240572.db2.gz ZPWRTOZDYBXCBQ-UHFFFAOYSA-N 1 2 357.483 2.267 20 30 FEEDLO C[C@@H]1CN(c2ccc(CNC(=O)c3ccc(CC#N)cc3)c[nH+]2)CCO1 ZINC000270281843 550258914 /nfs/dbraw/zinc/25/89/14/550258914.db2.gz UPTWHSSBJIISIR-OAHLLOKOSA-N 1 2 350.422 2.303 20 30 FEEDLO C#CC[C@H](NC(=O)N1CC[C@@H]([NH+]2CCN(CC)CC2)C1)c1ccccc1 ZINC000270375321 550266649 /nfs/dbraw/zinc/26/66/49/550266649.db2.gz UVDIYLTVVFDEDH-UXHICEINSA-N 1 2 354.498 2.172 20 30 FEEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC[C@H](N2CCCC2=O)C1 ZINC000270483801 550276793 /nfs/dbraw/zinc/27/67/93/550276793.db2.gz ACRANRCLZPLAMK-WFASDCNBSA-N 1 2 360.845 2.235 20 30 FEEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@H](N2CCCC2=O)C1 ZINC000270483801 550276794 /nfs/dbraw/zinc/27/67/94/550276794.db2.gz ACRANRCLZPLAMK-WFASDCNBSA-N 1 2 360.845 2.235 20 30 FEEDLO Cc1nc(N2CCN(C(=O)N[C@H](C)c3ccc(C#N)cc3)CC2)cc[nH+]1 ZINC000273762141 550510735 /nfs/dbraw/zinc/51/07/35/550510735.db2.gz UYNQVFPUWCUFIR-CQSZACIVSA-N 1 2 350.426 2.250 20 30 FEEDLO C#CCN(C(=O)N[C@@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1)C1CC1 ZINC000274075050 550522057 /nfs/dbraw/zinc/52/20/57/550522057.db2.gz GCSIIWJKZKRPQQ-GOSISDBHSA-N 1 2 368.437 2.334 20 30 FEEDLO C[C@H](C#N)CN(C)C(=O)C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000275752048 550574117 /nfs/dbraw/zinc/57/41/17/550574117.db2.gz YKNWACXUFGNJHA-CYBMUJFWSA-N 1 2 353.426 2.319 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCCc3cscn3)CC2)cc1 ZINC000494962686 561480107 /nfs/dbraw/zinc/48/01/07/561480107.db2.gz YXYRIAQDPCFPBT-UHFFFAOYSA-N 1 2 355.467 2.085 20 30 FEEDLO CC(C)Oc1ccc(NC(=O)NCC2([NH+]3CCOCC3)CC2)cc1C#N ZINC000278029321 550740951 /nfs/dbraw/zinc/74/09/51/550740951.db2.gz LIORSEVSVIAQEK-UHFFFAOYSA-N 1 2 358.442 2.332 20 30 FEEDLO COc1cc(C(N)=[NH+]OCc2nnc3n2CCCC3)cc(Cl)c1OC ZINC000278233466 550763657 /nfs/dbraw/zinc/76/36/57/550763657.db2.gz JWSOIKPOBBQVFO-UHFFFAOYSA-N 1 2 365.821 2.122 20 30 FEEDLO CN(C)c1ncc(C[NH+]2CCN(c3ccc(C#N)cc3Cl)CC2)cn1 ZINC000278709507 550813542 /nfs/dbraw/zinc/81/35/42/550813542.db2.gz OKGHOZAWTYLFKD-UHFFFAOYSA-N 1 2 356.861 2.390 20 30 FEEDLO CC(C)C[C@H]1C(=O)NCC[N@H+]1Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000279485610 550895626 /nfs/dbraw/zinc/89/56/26/550895626.db2.gz XLDUUHASPCKWAZ-SFHVURJKSA-N 1 2 366.469 2.205 20 30 FEEDLO CC(C)C[C@H]1C(=O)NCC[N@@H+]1Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000279485610 550895627 /nfs/dbraw/zinc/89/56/27/550895627.db2.gz XLDUUHASPCKWAZ-SFHVURJKSA-N 1 2 366.469 2.205 20 30 FEEDLO C#CCn1ccc(C[N@@H+](CC)[C@H](C)C(=O)N[C@@H]2CCOc3ccccc32)n1 ZINC000279668535 550914818 /nfs/dbraw/zinc/91/48/18/550914818.db2.gz DWTLSVVPMQMJOY-VQIMIIECSA-N 1 2 366.465 2.367 20 30 FEEDLO C#CCn1ccc(C[N@H+](CC)[C@H](C)C(=O)N[C@@H]2CCOc3ccccc32)n1 ZINC000279668535 550914820 /nfs/dbraw/zinc/91/48/20/550914820.db2.gz DWTLSVVPMQMJOY-VQIMIIECSA-N 1 2 366.465 2.367 20 30 FEEDLO C#CCn1ccc(C[N@@H+](CC)[C@H]2CCN(c3ccccc3OC)C2=O)n1 ZINC000279688817 550916986 /nfs/dbraw/zinc/91/69/86/550916986.db2.gz HKCIFRXSIJPODT-SFHVURJKSA-N 1 2 352.438 2.152 20 30 FEEDLO C#CCn1ccc(C[N@H+](CC)[C@H]2CCN(c3ccccc3OC)C2=O)n1 ZINC000279688817 550916988 /nfs/dbraw/zinc/91/69/88/550916988.db2.gz HKCIFRXSIJPODT-SFHVURJKSA-N 1 2 352.438 2.152 20 30 FEEDLO C[C@@H]1OCC[C@]12C[N@H+](Cc1nnc(-c3ccc(C#N)cc3)o1)C[C@@H](C)O2 ZINC000279746913 550924646 /nfs/dbraw/zinc/92/46/46/550924646.db2.gz LBEJVFXJIPSACW-TYILLQQXSA-N 1 2 354.410 2.377 20 30 FEEDLO C[C@@H]1OCC[C@]12C[N@@H+](Cc1nnc(-c3ccc(C#N)cc3)o1)C[C@@H](C)O2 ZINC000279746913 550924647 /nfs/dbraw/zinc/92/46/47/550924647.db2.gz LBEJVFXJIPSACW-TYILLQQXSA-N 1 2 354.410 2.377 20 30 FEEDLO CC1(C)C[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C[C@]2(CCOC2)O1 ZINC000280584399 551010170 /nfs/dbraw/zinc/01/01/70/551010170.db2.gz TVCCQYFDZXIQOO-IBGZPJMESA-N 1 2 354.410 2.378 20 30 FEEDLO CC1(C)C[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C[C@]2(CCOC2)O1 ZINC000280584399 551010171 /nfs/dbraw/zinc/01/01/71/551010171.db2.gz TVCCQYFDZXIQOO-IBGZPJMESA-N 1 2 354.410 2.378 20 30 FEEDLO C=CCN1CC[C@@H]([N@@H+]2CCCC[C@@H]2c2nnc(C3CCOCC3)o2)C1=O ZINC000281292285 551081876 /nfs/dbraw/zinc/08/18/76/551081876.db2.gz JHAQIYXNVTVJDR-HZPDHXFCSA-N 1 2 360.458 2.278 20 30 FEEDLO C=CCN1CC[C@@H]([N@H+]2CCCC[C@@H]2c2nnc(C3CCOCC3)o2)C1=O ZINC000281292285 551081877 /nfs/dbraw/zinc/08/18/77/551081877.db2.gz JHAQIYXNVTVJDR-HZPDHXFCSA-N 1 2 360.458 2.278 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000281361475 551088145 /nfs/dbraw/zinc/08/81/45/551088145.db2.gz KTHWUTAOGVJEBZ-AQNXPRMDSA-N 1 2 373.497 2.340 20 30 FEEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)C(=O)N(CCC#N)c2ccccc2)C1=O ZINC000281358313 551088159 /nfs/dbraw/zinc/08/81/59/551088159.db2.gz NPRMNWDJEQKNAM-SJLPKXTDSA-N 1 2 354.454 2.040 20 30 FEEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](C)C(=O)N(CCC#N)c2ccccc2)C1=O ZINC000281358313 551088161 /nfs/dbraw/zinc/08/81/61/551088161.db2.gz NPRMNWDJEQKNAM-SJLPKXTDSA-N 1 2 354.454 2.040 20 30 FEEDLO C=CCn1c(C)nnc1N1CC[NH+](Cc2cc(OC)ccc2OC)CC1 ZINC000282183306 551191793 /nfs/dbraw/zinc/19/17/93/551191793.db2.gz FPUHNRFVPYWIOB-UHFFFAOYSA-N 1 2 357.458 2.112 20 30 FEEDLO CNc1cc(N2CCC[C@H]2CNC(=O)NCC2CCC(C#N)CC2)nc[nH+]1 ZINC000282245380 551200490 /nfs/dbraw/zinc/20/04/90/551200490.db2.gz GETBDBHGLQKBKD-GPANFISMSA-N 1 2 371.489 2.116 20 30 FEEDLO CNc1cc(N2CCC[C@H]2CNC(=O)NCC2CCC(C#N)CC2)[nH+]cn1 ZINC000282245380 551200493 /nfs/dbraw/zinc/20/04/93/551200493.db2.gz GETBDBHGLQKBKD-GPANFISMSA-N 1 2 371.489 2.116 20 30 FEEDLO CC(C)(C(=O)N1CCC(Oc2cccc(C#N)c2)CC1)[NH+]1CCOCC1 ZINC000282361589 551217784 /nfs/dbraw/zinc/21/77/84/551217784.db2.gz AQGHUKVIACFZJM-UHFFFAOYSA-N 1 2 357.454 2.039 20 30 FEEDLO N#Cc1cc(S(=O)(=O)N2CC[NH+](C3CCC3)CC2)ccc1C(F)(F)F ZINC000282590853 551249552 /nfs/dbraw/zinc/24/95/52/551249552.db2.gz HTPOOEJFBQMGIF-UHFFFAOYSA-N 1 2 373.400 2.436 20 30 FEEDLO COc1ccc(C(N)=[NH+]O[C@H](C)C(=O)N2CCc3sccc3C2)cc1 ZINC000283370379 551355304 /nfs/dbraw/zinc/35/53/04/551355304.db2.gz MAYWDNZGCVTOQS-GFCCVEGCSA-N 1 2 359.451 2.367 20 30 FEEDLO C=CCCCNC(=O)C(=O)N[C@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000284584562 551582825 /nfs/dbraw/zinc/58/28/25/551582825.db2.gz FTFWNWYKOQOBDO-HNNXBMFYSA-N 1 2 360.845 2.362 20 30 FEEDLO CCn1cc[nH+]c1[C@H](NC(=O)/C(=N/OC)c1ccco1)C1CCOCC1 ZINC000285069092 551700111 /nfs/dbraw/zinc/70/01/11/551700111.db2.gz PABFTWDKGLMVKH-JJTVEENBSA-N 1 2 360.414 2.131 20 30 FEEDLO C[N@@H+]1CCO[C@H]([C@@H](NC(=O)c2ccc(C#N)[nH]2)c2ccc(Cl)cc2)C1 ZINC000498818463 561535126 /nfs/dbraw/zinc/53/51/26/561535126.db2.gz DWLFSUQSEOEUOA-IRXDYDNUSA-N 1 2 358.829 2.341 20 30 FEEDLO C[N@H+]1CCO[C@H]([C@@H](NC(=O)c2ccc(C#N)[nH]2)c2ccc(Cl)cc2)C1 ZINC000498818463 561535127 /nfs/dbraw/zinc/53/51/27/561535127.db2.gz DWLFSUQSEOEUOA-IRXDYDNUSA-N 1 2 358.829 2.341 20 30 FEEDLO COc1ccc(C(=O)CC[N@@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)cc1 ZINC000286225246 551863390 /nfs/dbraw/zinc/86/33/90/551863390.db2.gz BPTCZGGWUBJXTG-HNNXBMFYSA-N 1 2 365.437 2.140 20 30 FEEDLO COc1ccc(C(=O)CC[N@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)cc1 ZINC000286225246 551863391 /nfs/dbraw/zinc/86/33/91/551863391.db2.gz BPTCZGGWUBJXTG-HNNXBMFYSA-N 1 2 365.437 2.140 20 30 FEEDLO C=CCC[C@H](NC(=O)C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1)c1ccccc1 ZINC000286594087 551903911 /nfs/dbraw/zinc/90/39/11/551903911.db2.gz OKYQRIZEPADMLX-LMMKCTJWSA-N 1 2 373.497 2.036 20 30 FEEDLO N#Cc1ccnc(C(=O)N2CC[C@@H](Oc3ccc[nH+]c3N3CCCC3)C2)c1 ZINC000287997704 552073107 /nfs/dbraw/zinc/07/31/07/552073107.db2.gz AWQHPPFULAKUGW-MRXNPFEDSA-N 1 2 363.421 2.242 20 30 FEEDLO N#Cc1cccc(CNC(=O)C[NH2+][C@@H](CO)c2cccc(Cl)c2F)c1 ZINC000499951748 561562728 /nfs/dbraw/zinc/56/27/28/561562728.db2.gz HPMWLDVCOOEYIO-INIZCTEOSA-N 1 2 361.804 2.290 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N[C@@H](CC)c2ccccc2OCC)C1=O ZINC000500015320 561564205 /nfs/dbraw/zinc/56/42/05/561564205.db2.gz PDIVBCPYZRVITJ-ROUUACIJSA-N 1 2 373.497 2.371 20 30 FEEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N[C@@H](CC)c2ccccc2OCC)C1=O ZINC000500015320 561564206 /nfs/dbraw/zinc/56/42/06/561564206.db2.gz PDIVBCPYZRVITJ-ROUUACIJSA-N 1 2 373.497 2.371 20 30 FEEDLO Cc1nsc(N2CC[NH+]([C@@H](C)C(=O)N3CCC(C)CC3)CC2)c1C#N ZINC000289586719 552345010 /nfs/dbraw/zinc/34/50/10/552345010.db2.gz WVSDZSQDGIQWKF-HNNXBMFYSA-N 1 2 361.515 2.092 20 30 FEEDLO C#CCC[NH+]1CCN(C(=O)c2cc(Cl)ncc2Br)CC1 ZINC000290110197 552429212 /nfs/dbraw/zinc/42/92/12/552429212.db2.gz KKMCSENJVONZTE-UHFFFAOYSA-N 1 2 356.651 2.279 20 30 FEEDLO CC[N@H+](CCS(=O)(=O)c1ccc(C#N)cn1)Cc1ccc(OC)cc1 ZINC000290209353 552442870 /nfs/dbraw/zinc/44/28/70/552442870.db2.gz HDWIXAFYDYCTJL-UHFFFAOYSA-N 1 2 359.451 2.258 20 30 FEEDLO CC[N@@H+](CCS(=O)(=O)c1ccc(C#N)cn1)Cc1ccc(OC)cc1 ZINC000290209353 552442873 /nfs/dbraw/zinc/44/28/73/552442873.db2.gz HDWIXAFYDYCTJL-UHFFFAOYSA-N 1 2 359.451 2.258 20 30 FEEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCC(F)(F)[C@H](CO)C2)c1C ZINC000291660937 552648227 /nfs/dbraw/zinc/64/82/27/552648227.db2.gz FVBLOLYWGDHJOD-INIZCTEOSA-N 1 2 365.424 2.500 20 30 FEEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCC(F)(F)[C@H](CO)C2)c1C ZINC000291660937 552648229 /nfs/dbraw/zinc/64/82/29/552648229.db2.gz FVBLOLYWGDHJOD-INIZCTEOSA-N 1 2 365.424 2.500 20 30 FEEDLO Cc1ccc2ncc(C#N)c(N3CC[NH+](CC(=O)NC(C)C)CC3)c2c1 ZINC000291712607 552653855 /nfs/dbraw/zinc/65/38/55/552653855.db2.gz VRRADKSUPUMYJA-UHFFFAOYSA-N 1 2 351.454 2.062 20 30 FEEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](CCCS(=O)(=O)c3ccccc3)C2)nc1 ZINC000292104247 552694111 /nfs/dbraw/zinc/69/41/11/552694111.db2.gz GPOCYYDEKFCMKW-KRWDZBQOSA-N 1 2 371.462 2.270 20 30 FEEDLO N#Cc1ccc(O[C@H]2CC[N@H+](CCCS(=O)(=O)c3ccccc3)C2)nc1 ZINC000292104247 552694112 /nfs/dbraw/zinc/69/41/12/552694112.db2.gz GPOCYYDEKFCMKW-KRWDZBQOSA-N 1 2 371.462 2.270 20 30 FEEDLO Cc1nsc(N2CC[NH+](Cc3cnn(CC(F)F)c3)CC2)c1C#N ZINC000293874551 552864226 /nfs/dbraw/zinc/86/42/26/552864226.db2.gz JFJPJOABBWANLO-UHFFFAOYSA-N 1 2 352.414 2.107 20 30 FEEDLO N#CCSc1ccccc1NC(=O)CSCC[NH+]1CCOCC1 ZINC000294347449 552899011 /nfs/dbraw/zinc/89/90/11/552899011.db2.gz ULGIRNPRFDDOFO-UHFFFAOYSA-N 1 2 351.497 2.306 20 30 FEEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)c1cc(C#N)cc(N(C)C)c1 ZINC000294426826 552905271 /nfs/dbraw/zinc/90/52/71/552905271.db2.gz ZBNRIDJCYMHFNV-UHFFFAOYSA-N 1 2 365.437 2.417 20 30 FEEDLO CC(C)(CC#N)CS(=O)(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000295091898 552958273 /nfs/dbraw/zinc/95/82/73/552958273.db2.gz FIYHGXVWSKMALW-UHFFFAOYSA-N 1 2 360.483 2.485 20 30 FEEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3CCCO3)n2CCc2ccccc2)CC1 ZINC000296111900 553106157 /nfs/dbraw/zinc/10/61/57/553106157.db2.gz ZNCSZBSGCCQMOM-IBGZPJMESA-N 1 2 365.481 2.128 20 30 FEEDLO C=C(C)Cn1c([C@@H]2CCCO2)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC000296152999 553113345 /nfs/dbraw/zinc/11/33/45/553113345.db2.gz YNHVSZCDYZGHND-KRWDZBQOSA-N 1 2 372.473 2.324 20 30 FEEDLO CS(=O)(=O)c1cccc(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000296182016 553118431 /nfs/dbraw/zinc/11/84/31/553118431.db2.gz XWAXUVDKVYNOHX-MRXNPFEDSA-N 1 2 357.435 2.010 20 30 FEEDLO CS(=O)(=O)c1cccc(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000296182016 553118432 /nfs/dbraw/zinc/11/84/32/553118432.db2.gz XWAXUVDKVYNOHX-MRXNPFEDSA-N 1 2 357.435 2.010 20 30 FEEDLO C[C@@H](CC#N)N(C)S(=O)(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000296529593 553174839 /nfs/dbraw/zinc/17/48/39/553174839.db2.gz AMFWIDKKQNQTKX-LBPRGKRZSA-N 1 2 367.862 2.094 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CC[C@H](OC(=O)N(C)C)C2)c1 ZINC000296563636 553180120 /nfs/dbraw/zinc/18/01/20/553180120.db2.gz CQHZXEHKOOLTII-SFHVURJKSA-N 1 2 372.469 2.323 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H](OC(=O)N(C)C)C2)c1 ZINC000296563636 553180122 /nfs/dbraw/zinc/18/01/22/553180122.db2.gz CQHZXEHKOOLTII-SFHVURJKSA-N 1 2 372.469 2.323 20 30 FEEDLO Cc1cc(NCCNC(=O)COc2ccc(C#N)cc2)nc(C(C)C)[nH+]1 ZINC000600364862 553257046 /nfs/dbraw/zinc/25/70/46/553257046.db2.gz GRDPLGOFKSWIGK-UHFFFAOYSA-N 1 2 353.426 2.387 20 30 FEEDLO CCOCCOC1C[NH+](Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000297648092 553320074 /nfs/dbraw/zinc/32/00/74/553320074.db2.gz NAPLLUMWJULXRP-UHFFFAOYSA-N 1 2 355.442 2.096 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)C(=O)Nc2ccc(-c3c[nH]cn3)cc2)C1=O ZINC000503270466 561638707 /nfs/dbraw/zinc/63/87/07/561638707.db2.gz KKRMWUIRGASROA-KSSFIOAISA-N 1 2 367.453 2.122 20 30 FEEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)C(=O)Nc2ccc(-c3c[nH]cn3)cc2)C1=O ZINC000503270466 561638708 /nfs/dbraw/zinc/63/87/08/561638708.db2.gz KKRMWUIRGASROA-KSSFIOAISA-N 1 2 367.453 2.122 20 30 FEEDLO CCCNC(=O)C1CC[NH+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC1 ZINC000298143732 553389948 /nfs/dbraw/zinc/38/99/48/553389948.db2.gz UTKMURWEVCPPMY-ZDUSSCGKSA-N 1 2 360.458 2.333 20 30 FEEDLO Cc1cc(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)nn1-c1cccc(C#N)c1 ZINC000503369473 561640233 /nfs/dbraw/zinc/64/02/33/561640233.db2.gz MQHHUGMRSOTZRU-KRWDZBQOSA-N 1 2 372.432 2.456 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC000298306389 553410636 /nfs/dbraw/zinc/41/06/36/553410636.db2.gz NZNONFPJSDUWQJ-FQEVSTJZSA-N 1 2 374.460 2.028 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC000298306389 553410639 /nfs/dbraw/zinc/41/06/39/553410639.db2.gz NZNONFPJSDUWQJ-FQEVSTJZSA-N 1 2 374.460 2.028 20 30 FEEDLO C=CCN(Cc1ccccc1)C(=O)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000298429287 553424084 /nfs/dbraw/zinc/42/40/84/553424084.db2.gz UWFDWQLQIUZRPT-UHFFFAOYSA-N 1 2 352.438 2.331 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)COc3ccc(C=O)cc3)CC2)cc1 ZINC000298527565 553436325 /nfs/dbraw/zinc/43/63/25/553436325.db2.gz YEUZOGNQEPWXPR-UHFFFAOYSA-N 1 2 363.417 2.094 20 30 FEEDLO Cc1nnc(Nc2ccc([NH+]3CCC(C(N)=O)CC3)cc2)c(C#N)c1C ZINC000299636216 553593163 /nfs/dbraw/zinc/59/31/63/553593163.db2.gz CZGFTTCNCIDYPL-UHFFFAOYSA-N 1 2 350.426 2.410 20 30 FEEDLO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C#N)CC1 ZINC000301164657 553627576 /nfs/dbraw/zinc/62/75/76/553627576.db2.gz CMPVQGSYDUNNJK-AWEZNQCLSA-N 1 2 371.441 2.036 20 30 FEEDLO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(c2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000301210189 553631406 /nfs/dbraw/zinc/63/14/06/553631406.db2.gz ULYDGWZEZLGNSH-AWEZNQCLSA-N 1 2 371.441 2.036 20 30 FEEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[NH+]1CCC(n2cncn2)CC1 ZINC000505434393 561671015 /nfs/dbraw/zinc/67/10/15/561671015.db2.gz MLBCPQASPFQPMK-LBPRGKRZSA-N 1 2 370.482 2.364 20 30 FEEDLO N#Cc1ccc(OC[C@H](O)C[NH+]2CCN(CCc3ccccc3)CC2)cc1 ZINC000302910832 553741469 /nfs/dbraw/zinc/74/14/69/553741469.db2.gz LWSUDGUNXSBYCU-OAQYLSRUSA-N 1 2 365.477 2.158 20 30 FEEDLO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000321360667 553766562 /nfs/dbraw/zinc/76/65/62/553766562.db2.gz YKIZGMYGKHRFCA-OCCSQVGLSA-N 1 2 353.875 2.459 20 30 FEEDLO C[C@@H]1C[N@H+]2CCCC[C@H]2CN1S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000321360667 553766564 /nfs/dbraw/zinc/76/65/64/553766564.db2.gz YKIZGMYGKHRFCA-OCCSQVGLSA-N 1 2 353.875 2.459 20 30 FEEDLO Cc1cc(C(=O)N2CC[NH2+][C@H](c3ccncc3)C2)nn1-c1cccc(C#N)c1 ZINC000505685776 561677473 /nfs/dbraw/zinc/67/74/73/561677473.db2.gz GPJXXXIBKLHDFP-FQEVSTJZSA-N 1 2 372.432 2.234 20 30 FEEDLO CNC(=O)Cc1noc(C[NH+]2CCC(N3CCc4ccccc43)CC2)n1 ZINC000328658273 553803606 /nfs/dbraw/zinc/80/36/06/553803606.db2.gz QSYHWJQLRVZMPZ-UHFFFAOYSA-N 1 2 355.442 2.226 20 30 FEEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)NC[C@@H]1CCN(CC(F)(F)F)C1)CCC2 ZINC000328662867 553804386 /nfs/dbraw/zinc/80/43/86/553804386.db2.gz XOXAMHJBOMDJPS-KBPBESRZSA-N 1 2 373.423 2.457 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+]2CCCC[C@@H]2C(=O)Nc2ccc3c(c2)CCO3)C1=O ZINC000328767556 553819283 /nfs/dbraw/zinc/81/92/83/553819283.db2.gz FRDUIXLMMQYPLA-MSOLQXFVSA-N 1 2 369.465 2.201 20 30 FEEDLO C=CCN1CC[C@H]([N@H+]2CCCC[C@@H]2C(=O)Nc2ccc3c(c2)CCO3)C1=O ZINC000328767556 553819285 /nfs/dbraw/zinc/81/92/85/553819285.db2.gz FRDUIXLMMQYPLA-MSOLQXFVSA-N 1 2 369.465 2.201 20 30 FEEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)Cn1cnc3sccc3c1=O)CCC2 ZINC000328785328 553821793 /nfs/dbraw/zinc/82/17/93/553821793.db2.gz KLGWOROIRPDGOL-GFCCVEGCSA-N 1 2 357.439 2.497 20 30 FEEDLO CC(C)CNC(=O)N1CCC[C@H](C(=O)N2CC[C@H](c3[nH+]ccn3C)C2)C1 ZINC000328786746 553822336 /nfs/dbraw/zinc/82/23/36/553822336.db2.gz OTFDPSWQFHNYBB-HOTGVXAUSA-N 1 2 361.490 2.018 20 30 FEEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)[C@H](C(C)C)N1CCCS1(=O)=O)CCC2 ZINC000328985162 553859024 /nfs/dbraw/zinc/85/90/24/553859024.db2.gz GKGPVVYJNOFKGF-GJZGRUSLSA-N 1 2 368.503 2.086 20 30 FEEDLO Cc1csc(NC(=O)C[NH2+][C@H](c2nc(C)no2)C2CCOCC2)n1 ZINC000328986811 553859039 /nfs/dbraw/zinc/85/90/39/553859039.db2.gz UHGHNVGEXDLEGQ-ZDUSSCGKSA-N 1 2 351.432 2.488 20 30 FEEDLO CC[N@H+](C[C@H](C)C#N)[C@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000506059888 561688837 /nfs/dbraw/zinc/68/88/37/561688837.db2.gz CDSOAJFCDNDEOV-GDBMZVCRSA-N 1 2 369.469 2.293 20 30 FEEDLO CC[N@@H+](C[C@H](C)C#N)[C@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000506059888 561688838 /nfs/dbraw/zinc/68/88/38/561688838.db2.gz CDSOAJFCDNDEOV-GDBMZVCRSA-N 1 2 369.469 2.293 20 30 FEEDLO C[C@@H]1CCC[C@@H]1NC(=O)N[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C ZINC000329115806 553883040 /nfs/dbraw/zinc/88/30/40/553883040.db2.gz IILNEIFNTRXRLF-MJXUCMMTSA-N 1 2 359.474 2.307 20 30 FEEDLO CC(C)(C)CC(=O)N1CSC[C@@H]1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000329135150 553886895 /nfs/dbraw/zinc/88/68/95/553886895.db2.gz BZJASHOOGUJUEL-CQSZACIVSA-N 1 2 371.547 2.391 20 30 FEEDLO CC(C)(C)CC(=O)N1CSC[C@@H]1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000329135150 553886898 /nfs/dbraw/zinc/88/68/98/553886898.db2.gz BZJASHOOGUJUEL-CQSZACIVSA-N 1 2 371.547 2.391 20 30 FEEDLO C[C@H]([C@H](C)NC(=O)[C@@H]1CSCN1C(=O)C1CCCC1)[NH+]1CCOCC1 ZINC000329174000 553895486 /nfs/dbraw/zinc/89/54/86/553895486.db2.gz LRLKRMJJULGUDS-LZWOXQAQSA-N 1 2 369.531 2.144 20 30 FEEDLO Cn1c[nH+]cc1[C@H]1[C@H](NC(=O)N2C[C@@H]3CCC[C@H]3C2)CCC(=O)N1C1CC1 ZINC000329228920 553907147 /nfs/dbraw/zinc/90/71/47/553907147.db2.gz IYTGMJZCNBMLCX-QRCPMIHRSA-N 1 2 371.485 2.261 20 30 FEEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC([O-])=[NH+]Cc1nnc3n1CCCC3)C2 ZINC000329307581 553922494 /nfs/dbraw/zinc/92/24/94/553922494.db2.gz YKNHBHGMLLCMJZ-CYBMUJFWSA-N 1 2 371.489 2.127 20 30 FEEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H]([NH+]=C([O-])NCc1nnc3n1CCCC3)C2 ZINC000329307581 553922496 /nfs/dbraw/zinc/92/24/96/553922496.db2.gz YKNHBHGMLLCMJZ-CYBMUJFWSA-N 1 2 371.489 2.127 20 30 FEEDLO CCn1cc[nH+]c1[C@H](NC(=O)N1CCCO[C@@H](C)C1)C1CCOCC1 ZINC000329313317 553923425 /nfs/dbraw/zinc/92/34/25/553923425.db2.gz CFYYVCJDSWKQCJ-GOEBONIOSA-N 1 2 350.463 2.396 20 30 FEEDLO C[C@H]1CN(c2ccc(CNC(=O)Cc3c(F)cccc3C#N)c[nH+]2)CCO1 ZINC000506511061 561700560 /nfs/dbraw/zinc/70/05/60/561700560.db2.gz MKFTVLQXTXMXDH-AWEZNQCLSA-N 1 2 368.412 2.176 20 30 FEEDLO CC(C)(C)C(=O)NC[C@@H]1CCCN(C(=O)C2([NH+]3CCOCC3)CCC2)C1 ZINC000329338587 553928037 /nfs/dbraw/zinc/92/80/37/553928037.db2.gz QOPFDTOPEUSUQY-INIZCTEOSA-N 1 2 365.518 2.483 20 30 FEEDLO Cc1cc(NC(=O)NC[C@@H]2C[N@H+](C)CCO2)cnc1N1CCCC[C@H]1C ZINC000329363671 553932717 /nfs/dbraw/zinc/93/27/17/553932717.db2.gz ZPUIKIIQFWRTJV-NVXWUHKLSA-N 1 2 361.490 2.425 20 30 FEEDLO Cc1cc(NC(=O)NC[C@@H]2C[N@@H+](C)CCO2)cnc1N1CCCC[C@H]1C ZINC000329363671 553932721 /nfs/dbraw/zinc/93/27/21/553932721.db2.gz ZPUIKIIQFWRTJV-NVXWUHKLSA-N 1 2 361.490 2.425 20 30 FEEDLO CC[C@@H]1CCCCN1C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000329456520 553950581 /nfs/dbraw/zinc/95/05/81/553950581.db2.gz QEDXEKVJFOESNP-MRXNPFEDSA-N 1 2 359.474 2.279 20 30 FEEDLO O=C(NCCNC(=O)C1([NH+]2CCOCC2)CCC1)NC1CCCCC1 ZINC000329463461 553951429 /nfs/dbraw/zinc/95/14/29/553951429.db2.gz QPBMDVLCROZWPY-UHFFFAOYSA-N 1 2 352.479 2.034 20 30 FEEDLO O=C(N[C@@H]1CCCN(C2CCCCC2)C1=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000329503583 553958990 /nfs/dbraw/zinc/95/89/90/553958990.db2.gz ASGVMDPZHKOMBP-XJKSGUPXSA-N 1 2 359.474 2.094 20 30 FEEDLO O=C(N[C@@H]1CCCN(C2CCCCC2)C1=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000329503583 553958994 /nfs/dbraw/zinc/95/89/94/553958994.db2.gz ASGVMDPZHKOMBP-XJKSGUPXSA-N 1 2 359.474 2.094 20 30 FEEDLO O=C(NC[C@@H]1CCCn2cc[nH+]c21)N1CCC[C@](O)(C(F)(F)F)CC1 ZINC000329518698 553961057 /nfs/dbraw/zinc/96/10/57/553961057.db2.gz FBJWUAOHLRATKO-SWLSCSKDSA-N 1 2 360.380 2.454 20 30 FEEDLO N#Cc1cccc([C@H]2CN(C(=O)[C@@H]3COCC[N@@H+]3C3CCCC3)CCO2)c1 ZINC000329528170 553962143 /nfs/dbraw/zinc/96/21/43/553962143.db2.gz ICLIRADCNQRNNZ-VQTJNVASSA-N 1 2 369.465 2.102 20 30 FEEDLO N#Cc1cccc([C@H]2CN(C(=O)[C@@H]3COCC[N@H+]3C3CCCC3)CCO2)c1 ZINC000329528170 553962144 /nfs/dbraw/zinc/96/21/44/553962144.db2.gz ICLIRADCNQRNNZ-VQTJNVASSA-N 1 2 369.465 2.102 20 30 FEEDLO Cc1nc(N2CCN(C(=O)N[C@@H](C)c3ccc4c(c3)OCO4)CC2)cc[nH+]1 ZINC000329546034 553965561 /nfs/dbraw/zinc/96/55/61/553965561.db2.gz ZWGVNZWZOTVRBT-ZDUSSCGKSA-N 1 2 369.425 2.311 20 30 FEEDLO O=C(N[C@@H]1CCOC2(CCOCC2)C1)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000329591420 553973088 /nfs/dbraw/zinc/97/30/88/553973088.db2.gz ZXXMRJNSHJOZBV-WBVHZDCISA-N 1 2 352.475 2.315 20 30 FEEDLO O=C(N[C@@H]1CCOC2(CCOCC2)C1)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000329591420 553973090 /nfs/dbraw/zinc/97/30/90/553973090.db2.gz ZXXMRJNSHJOZBV-WBVHZDCISA-N 1 2 352.475 2.315 20 30 FEEDLO O=C(c1ccccc1F)N1CCC([NH+]=C([O-])N2CCn3c[nH+]cc3C2)CC1 ZINC000329629390 553979463 /nfs/dbraw/zinc/97/94/63/553979463.db2.gz UZQIZVNFISLCSG-UHFFFAOYSA-N 1 2 371.416 2.057 20 30 FEEDLO O=C(NCCc1cccc2cccnc21)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000329690663 553989951 /nfs/dbraw/zinc/98/99/51/553989951.db2.gz DDUBBBCBRGMYIC-LJQANCHMSA-N 1 2 368.481 2.488 20 30 FEEDLO C[C@@H](NC(=O)N(C)Cc1nc(=O)c2sccc2[nH]1)C1=CC[N@H+](C)CC1 ZINC000329707553 553992789 /nfs/dbraw/zinc/99/27/89/553992789.db2.gz LRPHRGYBHPGCJD-LLVKDONJSA-N 1 2 361.471 2.393 20 30 FEEDLO C[C@@H](NC(=O)N(C)Cc1nc(=O)c2sccc2[nH]1)C1=CC[N@@H+](C)CC1 ZINC000329707553 553992790 /nfs/dbraw/zinc/99/27/90/553992790.db2.gz LRPHRGYBHPGCJD-LLVKDONJSA-N 1 2 361.471 2.393 20 30 FEEDLO COc1ccc(NC(=O)[C@H](C)N2CC[C@H]([NH+]3CCOCC3)C2)c(OC)c1 ZINC000329751177 553999531 /nfs/dbraw/zinc/99/95/31/553999531.db2.gz VLUYRHRARKWHBM-GJZGRUSLSA-N 1 2 363.458 2.087 20 30 FEEDLO COc1ccc(NC(=O)[C@@H](C)N2CC[C@@H]([NH+]3CCOCC3)C2)c(OC)c1 ZINC000329751178 553999590 /nfs/dbraw/zinc/99/95/90/553999590.db2.gz VLUYRHRARKWHBM-HUUCEWRRSA-N 1 2 363.458 2.087 20 30 FEEDLO O=C(NCC1([NH+]2CCSCC2)CCCC1)[C@H]1CCCCS1(=O)=O ZINC000329767385 554002417 /nfs/dbraw/zinc/00/24/17/554002417.db2.gz ZLTBVWFGKZYAHR-CQSZACIVSA-N 1 2 360.545 2.272 20 30 FEEDLO Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNC(=O)N[C@H](C)[C@@H]1CCOC1 ZINC000329824151 554013297 /nfs/dbraw/zinc/01/32/97/554013297.db2.gz ZXJCVHIOLZUZER-FWYOQMDTSA-N 1 2 368.453 2.132 20 30 FEEDLO Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNC(=O)N[C@H](C)[C@@H]1CCOC1 ZINC000329824151 554013299 /nfs/dbraw/zinc/01/32/99/554013299.db2.gz ZXJCVHIOLZUZER-FWYOQMDTSA-N 1 2 368.453 2.132 20 30 FEEDLO Cc1nc(C)c(NC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)s1 ZINC000329832416 554014442 /nfs/dbraw/zinc/01/44/42/554014442.db2.gz TZBHYZWJECYZRJ-OAHLLOKOSA-N 1 2 356.517 2.294 20 30 FEEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])N[C@@H]1CCc3c[nH]nc3C1)C2 ZINC000329838456 554015765 /nfs/dbraw/zinc/01/57/65/554015765.db2.gz ISUSIRBYCYDPOG-KGLIPLIRSA-N 1 2 356.474 2.280 20 30 FEEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC([O-])=[NH+][C@@H]1CCc3c[nH]nc3C1)C2 ZINC000329838456 554015769 /nfs/dbraw/zinc/01/57/69/554015769.db2.gz ISUSIRBYCYDPOG-KGLIPLIRSA-N 1 2 356.474 2.280 20 30 FEEDLO CC[N@@H+](CC(=O)N[C@@H]1CCS(=O)(=O)C1)C[C@H]1CCC2(CCCCC2)O1 ZINC000329850410 554018846 /nfs/dbraw/zinc/01/88/46/554018846.db2.gz SEUCTMHOGDZETL-HZPDHXFCSA-N 1 2 372.531 2.334 20 30 FEEDLO CC[N@H+](CC(=O)N[C@@H]1CCS(=O)(=O)C1)C[C@H]1CCC2(CCCCC2)O1 ZINC000329850410 554018850 /nfs/dbraw/zinc/01/88/50/554018850.db2.gz SEUCTMHOGDZETL-HZPDHXFCSA-N 1 2 372.531 2.334 20 30 FEEDLO Cc1ncsc1C[N@H+]1C[C@@H](F)C[C@H]1CN(C)C(=O)N[C@@H]1CCO[C@@H]1C ZINC000329895609 554026097 /nfs/dbraw/zinc/02/60/97/554026097.db2.gz BZHDHONLTPEYIE-CBBWQLFWSA-N 1 2 370.494 2.387 20 30 FEEDLO Cc1ncsc1C[N@@H+]1C[C@@H](F)C[C@H]1CN(C)C(=O)N[C@@H]1CCO[C@@H]1C ZINC000329895609 554026101 /nfs/dbraw/zinc/02/61/01/554026101.db2.gz BZHDHONLTPEYIE-CBBWQLFWSA-N 1 2 370.494 2.387 20 30 FEEDLO [O-]C(NC[C@@H]1CCc2[nH+]ccn2C1)=[NH+][C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000329897348 554026764 /nfs/dbraw/zinc/02/67/64/554026764.db2.gz LHDVWUAYTMDBBY-VBQJREDUSA-N 1 2 350.488 2.004 20 30 FEEDLO [O-]C(N[C@@H]1CCO[C@@]2(CCSC2)C1)=[NH+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000329897348 554026766 /nfs/dbraw/zinc/02/67/66/554026766.db2.gz LHDVWUAYTMDBBY-VBQJREDUSA-N 1 2 350.488 2.004 20 30 FEEDLO [O-]C(NC[C@@H]1CCc2[nH+]ccn2C1)=[NH+][C@@H]1CCOC2(CCSCC2)C1 ZINC000329905844 554029016 /nfs/dbraw/zinc/02/90/16/554029016.db2.gz RRZSXOJLSIBPAU-LSDHHAIUSA-N 1 2 364.515 2.394 20 30 FEEDLO [O-]C(N[C@@H]1CCOC2(CCSCC2)C1)=[NH+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000329905844 554029017 /nfs/dbraw/zinc/02/90/17/554029017.db2.gz RRZSXOJLSIBPAU-LSDHHAIUSA-N 1 2 364.515 2.394 20 30 FEEDLO Cc1cc(C[N@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)NC[C@@H]2CCCCO2)on1 ZINC000329915297 554031245 /nfs/dbraw/zinc/03/12/45/554031245.db2.gz POQLYOJOIVMENJ-JYJNAYRXSA-N 1 2 368.453 2.310 20 30 FEEDLO Cc1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)NC[C@@H]2CCCCO2)on1 ZINC000329915297 554031246 /nfs/dbraw/zinc/03/12/46/554031246.db2.gz POQLYOJOIVMENJ-JYJNAYRXSA-N 1 2 368.453 2.310 20 30 FEEDLO O=C(NCc1cc(F)cc2c1OCOC2)NC[C@H]1CCc2[nH+]ccn2C1 ZINC000329914960 554031284 /nfs/dbraw/zinc/03/12/84/554031284.db2.gz PIJJUVLSMSVPQZ-GFCCVEGCSA-N 1 2 360.389 2.155 20 30 FEEDLO Cn1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CNC(=O)NCC2(C)CCCC2)cn1 ZINC000329922825 554032452 /nfs/dbraw/zinc/03/24/52/554032452.db2.gz GPYTVPLUDVPVNT-HOTGVXAUSA-N 1 2 351.470 2.416 20 30 FEEDLO Cn1cc(C[N@H+]2C[C@@H](F)C[C@H]2CNC(=O)NCC2(C)CCCC2)cn1 ZINC000329922825 554032456 /nfs/dbraw/zinc/03/24/56/554032456.db2.gz GPYTVPLUDVPVNT-HOTGVXAUSA-N 1 2 351.470 2.416 20 30 FEEDLO Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000329924910 554033110 /nfs/dbraw/zinc/03/31/10/554033110.db2.gz JMDDDYKADVHFSB-QRVBRYPASA-N 1 2 373.497 2.256 20 30 FEEDLO Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000329924910 554033111 /nfs/dbraw/zinc/03/31/11/554033111.db2.gz JMDDDYKADVHFSB-QRVBRYPASA-N 1 2 373.497 2.256 20 30 FEEDLO CCN1CCN(C(=O)NCc2cn3ccc(C)cc3n2)C[C@H]1c1[nH]cc[nH+]1 ZINC000329959725 554039123 /nfs/dbraw/zinc/03/91/23/554039123.db2.gz NLQGUYLJKROWQB-INIZCTEOSA-N 1 2 367.457 2.159 20 30 FEEDLO Cn1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CNC(=O)NC[C@H]2CCCCS2)cn1 ZINC000329985829 554044698 /nfs/dbraw/zinc/04/46/98/554044698.db2.gz RJOFWJSSIVKMCM-HRCADAONSA-N 1 2 369.510 2.122 20 30 FEEDLO Cn1cc(C[N@H+]2C[C@@H](F)C[C@H]2CNC(=O)NC[C@H]2CCCCS2)cn1 ZINC000329985829 554044701 /nfs/dbraw/zinc/04/47/01/554044701.db2.gz RJOFWJSSIVKMCM-HRCADAONSA-N 1 2 369.510 2.122 20 30 FEEDLO Cn1cc(C(=O)NC[C@@H]2CN(C)CC[N@@H+]2C)c(-c2ccc(Cl)s2)n1 ZINC000330074444 554060366 /nfs/dbraw/zinc/06/03/66/554060366.db2.gz FPZRPAQQWDCDFY-LLVKDONJSA-N 1 2 367.906 2.352 20 30 FEEDLO Cn1cc(C(=O)NC[C@@H]2CN(C)CC[N@H+]2C)c(-c2ccc(Cl)s2)n1 ZINC000330074444 554060367 /nfs/dbraw/zinc/06/03/67/554060367.db2.gz FPZRPAQQWDCDFY-LLVKDONJSA-N 1 2 367.906 2.352 20 30 FEEDLO O=C(N[C@H]1CCCc2cn[nH]c21)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000330111894 554066925 /nfs/dbraw/zinc/06/69/25/554066925.db2.gz BKSGXSAORQTPOR-KRWDZBQOSA-N 1 2 361.490 2.135 20 30 FEEDLO C[C@@H]1C[N@@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@]2(CCCOC2)O1 ZINC000330133197 554070776 /nfs/dbraw/zinc/07/07/76/554070776.db2.gz QZQIPOWCMTYNAY-PBEJRMEISA-N 1 2 369.465 2.324 20 30 FEEDLO C[C@@H]1C[N@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@]2(CCCOC2)O1 ZINC000330133197 554070780 /nfs/dbraw/zinc/07/07/80/554070780.db2.gz QZQIPOWCMTYNAY-PBEJRMEISA-N 1 2 369.465 2.324 20 30 FEEDLO O=C(C[N@@H+]1CCOC2(CCOCC2)C1)Nc1ccc2c(c1)OCCCO2 ZINC000330170391 554077941 /nfs/dbraw/zinc/07/79/41/554077941.db2.gz DPZJBCYSKPSEIZ-UHFFFAOYSA-N 1 2 362.426 2.317 20 30 FEEDLO O=C(C[N@H+]1CCOC2(CCOCC2)C1)Nc1ccc2c(c1)OCCCO2 ZINC000330170391 554077942 /nfs/dbraw/zinc/07/79/42/554077942.db2.gz DPZJBCYSKPSEIZ-UHFFFAOYSA-N 1 2 362.426 2.317 20 30 FEEDLO Cn1cc[nH+]c1[C@H]1CN(C(=O)N[C@@H]2CSc3ccccc32)CCN1C ZINC000330282428 554098889 /nfs/dbraw/zinc/09/88/89/554098889.db2.gz APEYDHYBFXGFAB-HUUCEWRRSA-N 1 2 357.483 2.470 20 30 FEEDLO C[N@@H+]1CCO[C@H]2CN(CC(=O)Nc3ccc4c(c3)OC3(CCCC3)O4)C[C@@H]21 ZINC000330336696 554107489 /nfs/dbraw/zinc/10/74/89/554107489.db2.gz SQLQRLUVHPFSJT-YJBOKZPZSA-N 1 2 373.453 2.331 20 30 FEEDLO C[N@H+]1CCO[C@H]2CN(CC(=O)Nc3ccc4c(c3)OC3(CCCC3)O4)C[C@@H]21 ZINC000330336696 554107490 /nfs/dbraw/zinc/10/74/90/554107490.db2.gz SQLQRLUVHPFSJT-YJBOKZPZSA-N 1 2 373.453 2.331 20 30 FEEDLO CN1CCO[C@H]2C[N@H+](CC(=O)Nc3ccc4c(c3)OC3(CCCC3)O4)C[C@@H]21 ZINC000330336696 554107491 /nfs/dbraw/zinc/10/74/91/554107491.db2.gz SQLQRLUVHPFSJT-YJBOKZPZSA-N 1 2 373.453 2.331 20 30 FEEDLO CN1CCO[C@H]2C[N@@H+](CC(=O)Nc3ccc4c(c3)OC3(CCCC3)O4)C[C@@H]21 ZINC000330336696 554107492 /nfs/dbraw/zinc/10/74/92/554107492.db2.gz SQLQRLUVHPFSJT-YJBOKZPZSA-N 1 2 373.453 2.331 20 30 FEEDLO Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)c2ccccc2N2CCOCC2)CCO1 ZINC000330338898 554107704 /nfs/dbraw/zinc/10/77/04/554107704.db2.gz VZTYQZXAEQMHCZ-KXBFYZLASA-N 1 2 370.453 2.482 20 30 FEEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)CCO1 ZINC000330341646 554108512 /nfs/dbraw/zinc/10/85/12/554108512.db2.gz ZNMUPFSRFSCIQD-WZRBSPASSA-N 1 2 374.363 2.008 20 30 FEEDLO CCC[C@@H]1C[C@H]1NC(=O)N1CC[NH+](CC(=O)N2CCCC[C@H]2C)CC1 ZINC000330352529 554110700 /nfs/dbraw/zinc/11/07/00/554110700.db2.gz NKSOQJNILBUIOZ-BRWVUGGUSA-N 1 2 350.507 2.108 20 30 FEEDLO CCCN(CCC)S(=O)(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000330495936 554129325 /nfs/dbraw/zinc/12/93/25/554129325.db2.gz SXCGTXJOGNXLQT-UHFFFAOYSA-N 1 2 364.515 2.043 20 30 FEEDLO CNC(=O)N[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cc(C)c(Cl)cc2OC)C1 ZINC000330940700 554191937 /nfs/dbraw/zinc/19/19/37/554191937.db2.gz DYZBSTXGXNPGGE-VXGBXAGGSA-N 1 2 368.865 2.192 20 30 FEEDLO CNC(=O)N[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2cc(C)c(Cl)cc2OC)C1 ZINC000330940700 554191942 /nfs/dbraw/zinc/19/19/42/554191942.db2.gz DYZBSTXGXNPGGE-VXGBXAGGSA-N 1 2 368.865 2.192 20 30 FEEDLO C[C@H](CC#N)N(C)S(=O)(=O)N1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@H]1C ZINC000509204563 561790056 /nfs/dbraw/zinc/79/00/56/561790056.db2.gz XCYRHKPPNHYFRM-BRWVUGGUSA-N 1 2 364.515 2.060 20 30 FEEDLO C[C@H](CC#N)N(C)S(=O)(=O)N1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000509204563 561790057 /nfs/dbraw/zinc/79/00/57/561790057.db2.gz XCYRHKPPNHYFRM-BRWVUGGUSA-N 1 2 364.515 2.060 20 30 FEEDLO C=C(C)CC[NH+]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000509296259 561794190 /nfs/dbraw/zinc/79/41/90/561794190.db2.gz YSJYSOJQLNXPED-UHFFFAOYSA-N 1 2 353.444 2.176 20 30 FEEDLO N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000509435731 561799770 /nfs/dbraw/zinc/79/97/70/561799770.db2.gz DRXPIFPTDIRLIP-QGZVFWFLSA-N 1 2 357.845 2.405 20 30 FEEDLO N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000509435731 561799771 /nfs/dbraw/zinc/79/97/71/561799771.db2.gz DRXPIFPTDIRLIP-QGZVFWFLSA-N 1 2 357.845 2.405 20 30 FEEDLO COc1cc(N2CC[NH+](CC(=O)NC3(C#N)CCCCC3)CC2)ccc1F ZINC000332079980 554375782 /nfs/dbraw/zinc/37/57/82/554375782.db2.gz JARZIDMAKCYECT-UHFFFAOYSA-N 1 2 374.460 2.299 20 30 FEEDLO N#Cc1c(Cl)cccc1S(=O)(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000332363913 554432370 /nfs/dbraw/zinc/43/23/70/554432370.db2.gz RAPJUFVPUNQFIV-UHFFFAOYSA-N 1 2 350.831 2.223 20 30 FEEDLO Cc1cc[nH+]cc1N1CCN(S(=O)(=O)c2cc(C#N)ccc2C)CC1 ZINC000332402922 554439797 /nfs/dbraw/zinc/43/97/97/554439797.db2.gz VIECVGBAIBYBSK-UHFFFAOYSA-N 1 2 356.451 2.081 20 30 FEEDLO Cc1cc[nH+]cc1N1CCN(S(=O)(=O)c2ccc(C#N)cc2C)CC1 ZINC000332408475 554440910 /nfs/dbraw/zinc/44/09/10/554440910.db2.gz ZYPHTDASUJODGK-UHFFFAOYSA-N 1 2 356.451 2.081 20 30 FEEDLO Cn1cc[nH+]c1[C@@H](NS(=O)(=O)c1cc(C#N)ccc1Cl)C1CC1 ZINC000510450637 561834994 /nfs/dbraw/zinc/83/49/94/561834994.db2.gz WQSMFGGPZOXQDO-AWEZNQCLSA-N 1 2 350.831 2.375 20 30 FEEDLO Cn1cc[nH+]c1[C@H](NS(=O)(=O)c1ccc(Cl)cc1C#N)C1CC1 ZINC000510372718 561832591 /nfs/dbraw/zinc/83/25/91/561832591.db2.gz DUEVHSBQVWZOPO-CQSZACIVSA-N 1 2 350.831 2.375 20 30 FEEDLO Cn1cc(C#N)c(=NC(=O)N2CC[NH+](Cc3cccc(Cl)c3)CC2)[nH]1 ZINC000610563684 554530039 /nfs/dbraw/zinc/53/00/39/554530039.db2.gz JPCMATVMSPBMAL-UHFFFAOYSA-N 1 2 358.833 2.295 20 30 FEEDLO N#Cc1ccc(N2CCC[C@H](NC(=O)[C@H]3CCn4cc[nH+]c4C3)C2)c(F)c1 ZINC000333311789 554601449 /nfs/dbraw/zinc/60/14/49/554601449.db2.gz OCHJTNKFKQFSFB-HOTGVXAUSA-N 1 2 367.428 2.241 20 30 FEEDLO N#Cc1ccc(N2CCC[C@H]([N@H+]3CCOC[C@@H]3[C@@H]3CCCC3=O)C2=O)cc1 ZINC000333382669 554607928 /nfs/dbraw/zinc/60/79/28/554607928.db2.gz FQZGNIWCUKNAIN-GBESFXJTSA-N 1 2 367.449 2.124 20 30 FEEDLO N#Cc1ccc(N2CCC[C@H]([N@@H+]3CCOC[C@@H]3[C@@H]3CCCC3=O)C2=O)cc1 ZINC000333382669 554607930 /nfs/dbraw/zinc/60/79/30/554607930.db2.gz FQZGNIWCUKNAIN-GBESFXJTSA-N 1 2 367.449 2.124 20 30 FEEDLO O=C1N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N1c1cccc(C#Cc2ccccc2)c1 ZINC000348647001 554692828 /nfs/dbraw/zinc/69/28/28/554692828.db2.gz OXTKAUMTEREDRH-IBGZPJMESA-N 1 2 356.385 2.477 20 30 FEEDLO N#Cc1ccc(CS(=O)(=O)NCc2ccccc2-n2cc[nH+]c2)cc1 ZINC000359904075 554856080 /nfs/dbraw/zinc/85/60/80/554856080.db2.gz HTDMJKRVONREBK-UHFFFAOYSA-N 1 2 352.419 2.364 20 30 FEEDLO COC(=O)[C@H]1C[C@@H](OC)C[N@H+]1Cc1ccc(OC)c(OCCCC#N)c1 ZINC000362375562 554966977 /nfs/dbraw/zinc/96/69/77/554966977.db2.gz GKOGIZOOUIBBKI-HZPDHXFCSA-N 1 2 362.426 2.140 20 30 FEEDLO COC(=O)[C@H]1C[C@@H](OC)C[N@@H+]1Cc1ccc(OC)c(OCCCC#N)c1 ZINC000362375562 554966979 /nfs/dbraw/zinc/96/69/79/554966979.db2.gz GKOGIZOOUIBBKI-HZPDHXFCSA-N 1 2 362.426 2.140 20 30 FEEDLO N#Cc1cnn(-c2ccc(C(=O)N3CCC[C@@H](c4[nH]cc[nH+]4)C3)cc2)c1N ZINC000362974318 555004317 /nfs/dbraw/zinc/00/43/17/555004317.db2.gz UZRANCRKFRZFHX-CQSZACIVSA-N 1 2 361.409 2.069 20 30 FEEDLO Cn1nccc1/C=C1\CN(c2cccc[nH+]2)C/C(=C/c2ccnn2C)C1=O ZINC000363408906 555098300 /nfs/dbraw/zinc/09/83/00/555098300.db2.gz WVCPMCVEEPDWHP-UKVBVZPVSA-N 1 2 360.421 2.105 20 30 FEEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCCN(C(=O)c2ccc[nH]2)CC1 ZINC000363649891 555155090 /nfs/dbraw/zinc/15/50/90/555155090.db2.gz BEXZPYAPTXMIFX-OAHLLOKOSA-N 1 2 365.437 2.061 20 30 FEEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCCN(C(=O)c2ccc[nH]2)CC1 ZINC000363649891 555155093 /nfs/dbraw/zinc/15/50/93/555155093.db2.gz BEXZPYAPTXMIFX-OAHLLOKOSA-N 1 2 365.437 2.061 20 30 FEEDLO N#CCCCS(=O)(=O)N[C@H]1CC[N@H+](C2CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000363686035 555164075 /nfs/dbraw/zinc/16/40/75/555164075.db2.gz CSTOUAJSECQVQH-IRXDYDNUSA-N 1 2 369.437 2.466 20 30 FEEDLO N#CCCCS(=O)(=O)N[C@H]1CC[N@@H+](C2CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000363686035 555164077 /nfs/dbraw/zinc/16/40/77/555164077.db2.gz CSTOUAJSECQVQH-IRXDYDNUSA-N 1 2 369.437 2.466 20 30 FEEDLO C[NH+]1CCN(C[C@H]2CCCN(C(=O)C3(c4ccc(C#N)cc4)CC3)C2)CC1 ZINC000363741121 555176504 /nfs/dbraw/zinc/17/65/04/555176504.db2.gz UEIVHCCELPCOFK-LJQANCHMSA-N 1 2 366.509 2.076 20 30 FEEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H]1CCCN(c2ccn(C)n2)C1=O ZINC000512226861 561896713 /nfs/dbraw/zinc/89/67/13/561896713.db2.gz JPGQPECJIVGJPJ-KRWDZBQOSA-N 1 2 358.442 2.079 20 30 FEEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H]1CCCN(c2ccn(C)n2)C1=O ZINC000512226861 561896715 /nfs/dbraw/zinc/89/67/15/561896715.db2.gz JPGQPECJIVGJPJ-KRWDZBQOSA-N 1 2 358.442 2.079 20 30 FEEDLO N#CCCCOc1cccc(C[N@H+]2CCC[C@H]2c2nc(C(N)=O)no2)c1 ZINC000364232751 555275198 /nfs/dbraw/zinc/27/51/98/555275198.db2.gz AARXUAKIONBUII-HNNXBMFYSA-N 1 2 355.398 2.188 20 30 FEEDLO N#CCCCOc1cccc(C[N@@H+]2CCC[C@H]2c2nc(C(N)=O)no2)c1 ZINC000364232751 555275200 /nfs/dbraw/zinc/27/52/00/555275200.db2.gz AARXUAKIONBUII-HNNXBMFYSA-N 1 2 355.398 2.188 20 30 FEEDLO C=CCn1c(C)cc(C(=O)C[NH+]2CCC(N3C(=O)CCCC3=O)CC2)c1C ZINC000364399315 555306459 /nfs/dbraw/zinc/30/64/59/555306459.db2.gz INXMCPIVBDJUJK-UHFFFAOYSA-N 1 2 371.481 2.477 20 30 FEEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000512516574 561907990 /nfs/dbraw/zinc/90/79/90/561907990.db2.gz IIJNPJBLDHEUII-SFHVURJKSA-N 1 2 356.474 2.381 20 30 FEEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000512516574 561907991 /nfs/dbraw/zinc/90/79/91/561907991.db2.gz IIJNPJBLDHEUII-SFHVURJKSA-N 1 2 356.474 2.381 20 30 FEEDLO COc1ccc([C@@H](NS(=O)(=O)CCCCC#N)c2[nH+]ccn2C)cc1 ZINC000365117998 555489602 /nfs/dbraw/zinc/48/96/02/555489602.db2.gz POBLSWFLLKBLKB-MRXNPFEDSA-N 1 2 362.455 2.131 20 30 FEEDLO C=CCOc1ccccc1C[N@@H+](C)CC(=O)N1CCC[C@@H](C(=O)OCC)C1 ZINC000513134212 561926712 /nfs/dbraw/zinc/92/67/12/561926712.db2.gz VAIFDJUECBXYOR-GOSISDBHSA-N 1 2 374.481 2.485 20 30 FEEDLO C=CCOc1ccccc1C[N@H+](C)CC(=O)N1CCC[C@@H](C(=O)OCC)C1 ZINC000513134212 561926713 /nfs/dbraw/zinc/92/67/13/561926713.db2.gz VAIFDJUECBXYOR-GOSISDBHSA-N 1 2 374.481 2.485 20 30 FEEDLO COC(=O)[C@@H]1C[N@@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)CC12CCC2 ZINC000365708635 555646429 /nfs/dbraw/zinc/64/64/29/555646429.db2.gz APWLOGOEYCIDHV-UONOGXRCSA-N 1 2 359.451 2.000 20 30 FEEDLO COC(=O)[C@@H]1C[N@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)CC12CCC2 ZINC000365708635 555646431 /nfs/dbraw/zinc/64/64/31/555646431.db2.gz APWLOGOEYCIDHV-UONOGXRCSA-N 1 2 359.451 2.000 20 30 FEEDLO Cc1sc(NC(=O)C[N@@H+]2CCC[C@H](c3ccnc(N)n3)C2)c(C#N)c1C ZINC000365997628 555722710 /nfs/dbraw/zinc/72/27/10/555722710.db2.gz ATFDYIUOJKPHOQ-ZDUSSCGKSA-N 1 2 370.482 2.427 20 30 FEEDLO Cc1sc(NC(=O)C[N@H+]2CCC[C@H](c3ccnc(N)n3)C2)c(C#N)c1C ZINC000365997628 555722712 /nfs/dbraw/zinc/72/27/12/555722712.db2.gz ATFDYIUOJKPHOQ-ZDUSSCGKSA-N 1 2 370.482 2.427 20 30 FEEDLO C=CCOC[C@@H](NC(=O)c1ccccc1Oc1cc[nH+]cc1)C(=O)OC ZINC000514065452 561959179 /nfs/dbraw/zinc/95/91/79/561959179.db2.gz WXGXMFMODQHOEX-MRXNPFEDSA-N 1 2 356.378 2.348 20 30 FEEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C)CCC2 ZINC000366708750 555914563 /nfs/dbraw/zinc/91/45/63/555914563.db2.gz LTXYXUQGNNDCME-OAHLLOKOSA-N 1 2 367.453 2.407 20 30 FEEDLO C[C@H]1C[C@@H](c2cccnc2)[N@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000367360731 556027982 /nfs/dbraw/zinc/02/79/82/556027982.db2.gz KDTPNJQZIPFZKG-YOEHRIQHSA-N 1 2 356.451 2.205 20 30 FEEDLO C[C@H]1C[C@@H](c2cccnc2)[N@@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000367360731 556027987 /nfs/dbraw/zinc/02/79/87/556027987.db2.gz KDTPNJQZIPFZKG-YOEHRIQHSA-N 1 2 356.451 2.205 20 30 FEEDLO Cc1cn2c([nH+]1)CN(C(=O)[C@@H]1CCN(c3ccc(C#N)cc3F)C1)CC2 ZINC000367428980 556046244 /nfs/dbraw/zinc/04/62/44/556046244.db2.gz DFBVCQIIOSOFHM-OAHLLOKOSA-N 1 2 353.401 2.071 20 30 FEEDLO C=CCc1ccc(OCC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)c(OC)c1 ZINC000367635122 556101863 /nfs/dbraw/zinc/10/18/63/556101863.db2.gz KCBCLBKYACWCSJ-FUHWJXTLSA-N 1 2 374.481 2.124 20 30 FEEDLO C=CCc1cc(C(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)cc(OC)c1OC ZINC000367745714 556128578 /nfs/dbraw/zinc/12/85/78/556128578.db2.gz HVUNYZZOAAYSAQ-CRAIPNDOSA-N 1 2 374.481 2.368 20 30 FEEDLO COCC[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)[C@H]1CCCc2cccnc21 ZINC000368368814 556289515 /nfs/dbraw/zinc/28/95/15/556289515.db2.gz CDXTUXYYKCWICL-PXNSSMCTSA-N 1 2 356.470 2.216 20 30 FEEDLO COCC[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)[C@H]1CCCc2cccnc21 ZINC000368368814 556289516 /nfs/dbraw/zinc/28/95/16/556289516.db2.gz CDXTUXYYKCWICL-PXNSSMCTSA-N 1 2 356.470 2.216 20 30 FEEDLO C=CCNC(=O)NC(=O)C[NH2+][C@@H](C)c1nnc(-c2cccc(F)c2)s1 ZINC000368372295 556290330 /nfs/dbraw/zinc/29/03/30/556290330.db2.gz WPBMFSIQQAGJBW-JTQLQIEISA-N 1 2 363.418 2.007 20 30 FEEDLO CCC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000368670158 556381226 /nfs/dbraw/zinc/38/12/26/556381226.db2.gz RAJUVTVLUIZARX-LSDHHAIUSA-N 1 2 360.483 2.424 20 30 FEEDLO CCC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1CC(=O)Nc1sccc1C#N ZINC000368670158 556381229 /nfs/dbraw/zinc/38/12/29/556381229.db2.gz RAJUVTVLUIZARX-LSDHHAIUSA-N 1 2 360.483 2.424 20 30 FEEDLO N#Cc1c(C[N@H+]2CCCN(C(=O)[C@H]3CCCO3)CC2)cn2ccccc12 ZINC000368913696 556446765 /nfs/dbraw/zinc/44/67/65/556446765.db2.gz VKOJBVFSFUNADM-LJQANCHMSA-N 1 2 352.438 2.024 20 30 FEEDLO N#Cc1c(C[N@@H+]2CCCN(C(=O)[C@H]3CCCO3)CC2)cn2ccccc12 ZINC000368913696 556446767 /nfs/dbraw/zinc/44/67/67/556446767.db2.gz VKOJBVFSFUNADM-LJQANCHMSA-N 1 2 352.438 2.024 20 30 FEEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(c2nc(N(C)C)no2)CC1 ZINC000369400104 556591242 /nfs/dbraw/zinc/59/12/42/556591242.db2.gz WEEYDVUPSLAMRL-AWEZNQCLSA-N 1 2 374.489 2.046 20 30 FEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1Cc2ccccc2[C@H](n2cccn2)C1 ZINC000369449270 556603114 /nfs/dbraw/zinc/60/31/14/556603114.db2.gz XZIQXMAUNUMPRF-VQIMIIECSA-N 1 2 351.454 2.296 20 30 FEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1Cc2ccccc2[C@H](n2cccn2)C1 ZINC000369449270 556603115 /nfs/dbraw/zinc/60/31/15/556603115.db2.gz XZIQXMAUNUMPRF-VQIMIIECSA-N 1 2 351.454 2.296 20 30 FEEDLO N#Cc1ccc(OC2CN(C(=O)NCc3ccc(-n4cc[nH+]c4)nc3)C2)cc1 ZINC000369914495 556728626 /nfs/dbraw/zinc/72/86/26/556728626.db2.gz WJHLIGURNVWGNH-UHFFFAOYSA-N 1 2 374.404 2.112 20 30 FEEDLO N#CCC(=O)N1CC[NH+](CCCc2ccccc2Br)CC1 ZINC000517038548 562072884 /nfs/dbraw/zinc/07/28/84/562072884.db2.gz GKGLZEQKWJJJGS-UHFFFAOYSA-N 1 2 350.260 2.440 20 30 FEEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CCC[C@H](c3ccncn3)C2)c1 ZINC000370988361 557037707 /nfs/dbraw/zinc/03/77/07/557037707.db2.gz OIGGITOPTNVNSX-INIZCTEOSA-N 1 2 356.451 2.002 20 30 FEEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCC[C@H](c3ccncn3)C2)c1 ZINC000370988361 557037709 /nfs/dbraw/zinc/03/77/09/557037709.db2.gz OIGGITOPTNVNSX-INIZCTEOSA-N 1 2 356.451 2.002 20 30 FEEDLO C[C@@H](Nc1cnn(CC[NH+]2CCOCC2)c1)c1ccc(OCC#N)cc1 ZINC000371485004 557196049 /nfs/dbraw/zinc/19/60/49/557196049.db2.gz JQPGZQPRTKDJLX-MRXNPFEDSA-N 1 2 355.442 2.291 20 30 FEEDLO CO[C@H]1C[C@H](c2nc(C3CC3)no2)[N@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000372453198 557474381 /nfs/dbraw/zinc/47/43/81/557474381.db2.gz BYODSUOVTJNIFJ-BBWFWOEESA-N 1 2 354.410 2.314 20 30 FEEDLO CO[C@H]1C[C@H](c2nc(C3CC3)no2)[N@@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000372453198 557474387 /nfs/dbraw/zinc/47/43/87/557474387.db2.gz BYODSUOVTJNIFJ-BBWFWOEESA-N 1 2 354.410 2.314 20 30 FEEDLO CN(C(=O)C(=O)Nc1cccc(C#N)c1)C1CCN(c2cccc[nH+]2)CC1 ZINC000373005696 557607890 /nfs/dbraw/zinc/60/78/90/557607890.db2.gz YPTHTPAIMCIRHF-UHFFFAOYSA-N 1 2 363.421 2.019 20 30 FEEDLO N#CCCCn1cc(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)c2ccccc21 ZINC000373057620 557618363 /nfs/dbraw/zinc/61/83/63/557618363.db2.gz LFPMYOULRIZAIS-QGZVFWFLSA-N 1 2 366.465 2.492 20 30 FEEDLO CC(C)OCC[NH+]1CCN(C(=O)[C@]2(C#N)CCc3ccccc3C2)CC1 ZINC000373186612 557646162 /nfs/dbraw/zinc/64/61/62/557646162.db2.gz PYEJCFHPECOUOQ-OAQYLSRUSA-N 1 2 355.482 2.254 20 30 FEEDLO N#Cc1ccc(C(=O)N2CCN(c3cc(C(F)(F)F)cc[nH+]3)CC2)cn1 ZINC000373509512 557707959 /nfs/dbraw/zinc/70/79/59/557707959.db2.gz NQVBNLSICAXFTN-UHFFFAOYSA-N 1 2 361.327 2.329 20 30 FEEDLO CCC1(CC)C[N@H+](CCS(=O)(=O)c2ccc(C#N)cn2)CCS1 ZINC000520453591 562156851 /nfs/dbraw/zinc/15/68/51/562156851.db2.gz GJYKBCHUWKLQSE-UHFFFAOYSA-N 1 2 353.513 2.335 20 30 FEEDLO CCC1(CC)C[N@@H+](CCS(=O)(=O)c2ccc(C#N)cn2)CCS1 ZINC000520453591 562156852 /nfs/dbraw/zinc/15/68/52/562156852.db2.gz GJYKBCHUWKLQSE-UHFFFAOYSA-N 1 2 353.513 2.335 20 30 FEEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+](C)C[C@H]1CCCN1c1cccnn1 ZINC000374208024 557843363 /nfs/dbraw/zinc/84/33/63/557843363.db2.gz KPNGGJGQJLFJKJ-IEBWSBKVSA-N 1 2 365.437 2.163 20 30 FEEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+](C)C[C@H]1CCCN1c1cccnn1 ZINC000374208024 557843366 /nfs/dbraw/zinc/84/33/66/557843366.db2.gz KPNGGJGQJLFJKJ-IEBWSBKVSA-N 1 2 365.437 2.163 20 30 FEEDLO Cc1ccc2[nH+]c(CN3C[C@H](C#N)[C@@]4(C3)c3ccccc3NC4=O)cn2c1 ZINC000374347189 557869375 /nfs/dbraw/zinc/86/93/75/557869375.db2.gz BNVRKKUMSAHHJF-BTYIYWSLSA-N 1 2 357.417 2.488 20 30 FEEDLO Cc1cccc2[nH+]c(CN3C[C@H](C#N)[C@@]4(C3)c3ccccc3NC4=O)cn21 ZINC000374355769 557870789 /nfs/dbraw/zinc/87/07/89/557870789.db2.gz ZNPCGICUQNJOHL-BTYIYWSLSA-N 1 2 357.417 2.488 20 30 FEEDLO C=CCc1ccc(OCC(=O)N2CC[NH2+][C@H](c3ccncc3)C2)c(OC)c1 ZINC000374378567 557874687 /nfs/dbraw/zinc/87/46/87/557874687.db2.gz SDBHLYHIRSVVKT-SFHVURJKSA-N 1 2 367.449 2.371 20 30 FEEDLO COc1cc(OC)cc([C@@]2(F)CC[N@@H+]([C@@H](C)C(=O)N(C)CCC#N)C2)c1 ZINC000374634985 557909860 /nfs/dbraw/zinc/90/98/60/557909860.db2.gz FPPQZTNXBSBUTA-IFXJQAMLSA-N 1 2 363.433 2.335 20 30 FEEDLO COc1cc(OC)cc([C@@]2(F)CC[N@H+]([C@@H](C)C(=O)N(C)CCC#N)C2)c1 ZINC000374634985 557909861 /nfs/dbraw/zinc/90/98/61/557909861.db2.gz FPPQZTNXBSBUTA-IFXJQAMLSA-N 1 2 363.433 2.335 20 30 FEEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000375212655 557992590 /nfs/dbraw/zinc/99/25/90/557992590.db2.gz WVARHTFFHACHQU-INIZCTEOSA-N 1 2 350.422 2.459 20 30 FEEDLO CN1c2ccccc2C(C)(C)/C1=C/C(=O)C[N@@H+]1CC[C@H](n2cncn2)C1 ZINC000375327213 558009622 /nfs/dbraw/zinc/00/96/22/558009622.db2.gz HZNPAVVQBDSUTP-HNIBHBHRSA-N 1 2 351.454 2.406 20 30 FEEDLO CN1c2ccccc2C(C)(C)/C1=C/C(=O)C[N@H+]1CC[C@H](n2cncn2)C1 ZINC000375327213 558009624 /nfs/dbraw/zinc/00/96/24/558009624.db2.gz HZNPAVVQBDSUTP-HNIBHBHRSA-N 1 2 351.454 2.406 20 30 FEEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCC[C@]2(CNC(=O)O2)C1 ZINC000375572771 558050938 /nfs/dbraw/zinc/05/09/38/558050938.db2.gz SSCRJFIPUNXEPZ-KUHUBIRLSA-N 1 2 374.416 2.035 20 30 FEEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCC[C@]2(CNC(=O)O2)C1 ZINC000375572771 558050939 /nfs/dbraw/zinc/05/09/39/558050939.db2.gz SSCRJFIPUNXEPZ-KUHUBIRLSA-N 1 2 374.416 2.035 20 30 FEEDLO C=CC[C@H](C)NC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000376312509 558156492 /nfs/dbraw/zinc/15/64/92/558156492.db2.gz ZXCSUGLJJJUDOS-JKSUJKDBSA-N 1 2 366.506 2.288 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)N2C[C@H](n3cc[nH+]c3)Cc3ccccc32)o1 ZINC000376354636 558162312 /nfs/dbraw/zinc/16/23/12/558162312.db2.gz USTPYIJHLHLNAH-CQSZACIVSA-N 1 2 354.391 2.340 20 30 FEEDLO C=CC[C@H](CO)NC(=O)N[C@@H]1CC[N@@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000376837109 558228127 /nfs/dbraw/zinc/22/81/27/558228127.db2.gz RLRVXGNIRFADAH-SRCQZFHVSA-N 1 2 371.403 2.475 20 30 FEEDLO C=CC[C@H](CO)NC(=O)N[C@@H]1CC[N@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000376837109 558228128 /nfs/dbraw/zinc/22/81/28/558228128.db2.gz RLRVXGNIRFADAH-SRCQZFHVSA-N 1 2 371.403 2.475 20 30 FEEDLO N#Cc1cc(S(=O)(=O)NCc2cccc(-n3cc[nH+]c3)c2)ccc1F ZINC000522373245 562197643 /nfs/dbraw/zinc/19/76/43/562197643.db2.gz PNVCIPZPHIIPHR-UHFFFAOYSA-N 1 2 356.382 2.362 20 30 FEEDLO C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc3[nH+]c(C)cn3c2)cc1 ZINC000523391125 562212312 /nfs/dbraw/zinc/21/23/12/562212312.db2.gz IZUPTNOVTXWYQF-UHFFFAOYSA-N 1 2 370.434 2.359 20 30 FEEDLO C=CCOCCNC(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000378558765 558582734 /nfs/dbraw/zinc/58/27/34/558582734.db2.gz IYXGCMRBAQWDBH-SJORKVTESA-N 1 2 367.877 2.214 20 30 FEEDLO C=CCOCCNC(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000378558765 558582737 /nfs/dbraw/zinc/58/27/37/558582737.db2.gz IYXGCMRBAQWDBH-SJORKVTESA-N 1 2 367.877 2.214 20 30 FEEDLO Cc1cc(NC(=O)[C@H](C)n2cnc(C#N)n2)c[nH+]c1N1CCCC[C@H]1C ZINC000409912523 558727091 /nfs/dbraw/zinc/72/70/91/558727091.db2.gz QEHRTHGTEXLIDP-KGLIPLIRSA-N 1 2 353.430 2.432 20 30 FEEDLO C[C@](O)(C[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1)C(F)(F)F ZINC000410419685 558756321 /nfs/dbraw/zinc/75/63/21/558756321.db2.gz MVEHRPPXOTWVCD-HNNXBMFYSA-N 1 2 370.331 2.242 20 30 FEEDLO C=CCN(C)C(=O)C(=O)N1CC[N@@H+](Cc2ccc(C)nc2)C[C@H]1[C@@H](C)CC ZINC000410956716 558827525 /nfs/dbraw/zinc/82/75/25/558827525.db2.gz MADABXJFUILAPW-LPHOPBHVSA-N 1 2 372.513 2.093 20 30 FEEDLO C=CCN(C)C(=O)C(=O)N1CC[N@H+](Cc2ccc(C)nc2)C[C@H]1[C@@H](C)CC ZINC000410956716 558827526 /nfs/dbraw/zinc/82/75/26/558827526.db2.gz MADABXJFUILAPW-LPHOPBHVSA-N 1 2 372.513 2.093 20 30 FEEDLO C=CC[N@H+](Cc1cc(Br)ccc1F)[C@@H](C)C(=O)NC(=O)NC ZINC000411230542 558857095 /nfs/dbraw/zinc/85/70/95/558857095.db2.gz YRPRXWOSYXJOKW-JTQLQIEISA-N 1 2 372.238 2.420 20 30 FEEDLO C=CC[N@@H+](Cc1cc(Br)ccc1F)[C@@H](C)C(=O)NC(=O)NC ZINC000411230542 558857096 /nfs/dbraw/zinc/85/70/96/558857096.db2.gz YRPRXWOSYXJOKW-JTQLQIEISA-N 1 2 372.238 2.420 20 30 FEEDLO COC[C@@H]1C[C@H](O)C[N@@H+]1CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 ZINC000411910759 558986661 /nfs/dbraw/zinc/98/66/61/558986661.db2.gz MKXKNSHYWNREAH-IRXDYDNUSA-N 1 2 374.485 2.112 20 30 FEEDLO COC[C@@H]1C[C@H](O)C[N@H+]1CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 ZINC000411910759 558986663 /nfs/dbraw/zinc/98/66/63/558986663.db2.gz MKXKNSHYWNREAH-IRXDYDNUSA-N 1 2 374.485 2.112 20 30 FEEDLO Cc1ccc(-c2noc([C@H](C)[NH2+]CC(=O)NC3(C#N)CCC3)n2)cc1F ZINC000525886637 562258675 /nfs/dbraw/zinc/25/86/75/562258675.db2.gz JINCAIRVSQZLLH-LBPRGKRZSA-N 1 2 357.389 2.397 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)C[C@@H](c1ccc(O)cc1)C1CC1 ZINC000412127756 559016013 /nfs/dbraw/zinc/01/60/13/559016013.db2.gz LPSGHIYRJPEIRP-HXUWFJFHSA-N 1 2 371.481 2.350 20 30 FEEDLO N#Cc1cc(N2CC[NH+](Cc3ccc(Br)s3)CC2)ncn1 ZINC000526137592 562268018 /nfs/dbraw/zinc/26/80/18/562268018.db2.gz XFVOMTUGCKPTQS-UHFFFAOYSA-N 1 2 364.272 2.494 20 30 FEEDLO C[C@@H]1C[C@H](CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)[C@H](C)O1 ZINC000413781966 559129990 /nfs/dbraw/zinc/12/99/90/559129990.db2.gz XPSXWQVNCGLAIL-JTDSTZFVSA-N 1 2 356.470 2.199 20 30 FEEDLO C[N@H+](CCC#N)C[C@@H](O)CSc1nnc(C2CC2)n1-c1ccccc1 ZINC000414090241 559148980 /nfs/dbraw/zinc/14/89/80/559148980.db2.gz BTYMSVUVQVHWAR-MRXNPFEDSA-N 1 2 357.483 2.443 20 30 FEEDLO C[N@@H+](CCC#N)C[C@@H](O)CSc1nnc(C2CC2)n1-c1ccccc1 ZINC000414090241 559148981 /nfs/dbraw/zinc/14/89/81/559148981.db2.gz BTYMSVUVQVHWAR-MRXNPFEDSA-N 1 2 357.483 2.443 20 30 FEEDLO C[C@H](CNS(=O)(=O)c1ccc(CC#N)cc1Cl)Cn1cc[nH+]c1 ZINC000414455495 559164884 /nfs/dbraw/zinc/16/48/84/559164884.db2.gz HMZPZHSPUGHVHY-GFCCVEGCSA-N 1 2 352.847 2.217 20 30 FEEDLO CCCN1C(=O)CC[C@@H](C(=O)N2CCC(CC#N)CC2)[C@@H]1c1c[nH+]cn1C ZINC000527254901 562282469 /nfs/dbraw/zinc/28/24/69/562282469.db2.gz OSNXGFAQWURJHA-VQIMIIECSA-N 1 2 371.485 2.262 20 30 FEEDLO C[C@@H](C#N)S(=O)(=O)NC1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1 ZINC000416394707 559309890 /nfs/dbraw/zinc/30/98/90/559309890.db2.gz ZGFSHBXNPXSEDI-AWEZNQCLSA-N 1 2 374.466 2.137 20 30 FEEDLO C[C@H]([NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)C(=O)N1c2ccccc2C[C@H]1C ZINC000419313947 559436520 /nfs/dbraw/zinc/43/65/20/559436520.db2.gz TVBSLWILFBMORC-BIENJYKASA-N 1 2 362.433 2.041 20 30 FEEDLO C=CCC[C@H]1NC(=O)N([C@@H](c2[nH+]ccn2C)c2ccc(OC)cc2)C1=O ZINC000419930361 559465238 /nfs/dbraw/zinc/46/52/38/559465238.db2.gz YABNWFKTKVJCAT-HZPDHXFCSA-N 1 2 354.410 2.405 20 30 FEEDLO C=CCC[C@@H]1NC(=O)N(C[C@@H](c2ccc(C)cc2)[NH+]2CCOCC2)C1=O ZINC000419954539 559466251 /nfs/dbraw/zinc/46/62/51/559466251.db2.gz REYIBUBXFYRKGX-ROUUACIJSA-N 1 2 357.454 2.255 20 30 FEEDLO C[NH+](C)[C@@H](CNC(=O)C(=O)NCC(C)(C)CC#N)c1ccccc1Cl ZINC000420871406 559508613 /nfs/dbraw/zinc/50/86/13/559508613.db2.gz DFPVBJPBNJUTME-HNNXBMFYSA-N 1 2 364.877 2.115 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@H](CC(F)(F)F)C2)nc1 ZINC000420938494 559512740 /nfs/dbraw/zinc/51/27/40/559512740.db2.gz AXKNMUGCUVHQIZ-GFCCVEGCSA-N 1 2 361.389 2.391 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@H](CC(F)(F)F)C2)nc1 ZINC000420938494 559512741 /nfs/dbraw/zinc/51/27/41/559512741.db2.gz AXKNMUGCUVHQIZ-GFCCVEGCSA-N 1 2 361.389 2.391 20 30 FEEDLO CC(=O)N[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2SC[C@@H](C)C#N)C1 ZINC000420946958 559513634 /nfs/dbraw/zinc/51/36/34/559513634.db2.gz CGMIQLFYEJSBNH-ZFWWWQNUSA-N 1 2 360.483 2.087 20 30 FEEDLO CC(=O)N[C@H]1CC[N@H+](CC(=O)Nc2ccccc2SC[C@@H](C)C#N)C1 ZINC000420946958 559513635 /nfs/dbraw/zinc/51/36/35/559513635.db2.gz CGMIQLFYEJSBNH-ZFWWWQNUSA-N 1 2 360.483 2.087 20 30 FEEDLO Cc1cccc(C(=O)N2CCC[N@@H+]([C@@H](C)C(=O)NC3(C#N)CCC3)CC2)c1 ZINC000527300391 562284433 /nfs/dbraw/zinc/28/44/33/562284433.db2.gz XLJMQTYLQNTAAE-KRWDZBQOSA-N 1 2 368.481 2.094 20 30 FEEDLO Cc1cccc(C(=O)N2CCC[N@H+]([C@@H](C)C(=O)NC3(C#N)CCC3)CC2)c1 ZINC000527300391 562284434 /nfs/dbraw/zinc/28/44/34/562284434.db2.gz XLJMQTYLQNTAAE-KRWDZBQOSA-N 1 2 368.481 2.094 20 30 FEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H](C)[C@@H]1C(=O)OC(C)(C)C ZINC000425527223 559707847 /nfs/dbraw/zinc/70/78/47/559707847.db2.gz ZIOPECPHYQFNBZ-HLLBOEOZSA-N 1 2 351.491 2.437 20 30 FEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@H](C)[C@@H]1C(=O)OC(C)(C)C ZINC000425527223 559707848 /nfs/dbraw/zinc/70/78/48/559707848.db2.gz ZIOPECPHYQFNBZ-HLLBOEOZSA-N 1 2 351.491 2.437 20 30 FEEDLO C[C@@H](c1cccc(C#N)c1)[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000425536639 559708422 /nfs/dbraw/zinc/70/84/22/559708422.db2.gz PAUYGWCXUJYXBN-AWEZNQCLSA-N 1 2 354.435 2.292 20 30 FEEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000425536639 559708423 /nfs/dbraw/zinc/70/84/23/559708423.db2.gz PAUYGWCXUJYXBN-AWEZNQCLSA-N 1 2 354.435 2.292 20 30 FEEDLO C=CCn1cc(CNC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)nn1 ZINC000425563012 559709889 /nfs/dbraw/zinc/70/98/89/559709889.db2.gz HRVNXYHBCQNTSL-RMKNXTFCSA-N 1 2 366.469 2.005 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(OC)cc1 ZINC000425594672 559711110 /nfs/dbraw/zinc/71/11/10/559711110.db2.gz YYMDEKOFQJSGOT-SZMVWBNQSA-N 1 2 370.453 2.408 20 30 FEEDLO N#Cc1ccc([C@H]([NH2+][C@@H]2CCN(c3cccc(Cl)c3)C2=O)C(N)=O)cc1 ZINC000426175661 559731127 /nfs/dbraw/zinc/73/11/27/559731127.db2.gz IUPAPQZSOVLRHS-SJORKVTESA-N 1 2 368.824 2.133 20 30 FEEDLO C=CC[C@H](C(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1)c1ccccc1 ZINC000426858081 559743055 /nfs/dbraw/zinc/74/30/55/559743055.db2.gz KUTWDLWRNKNYST-FQEVSTJZSA-N 1 2 369.509 2.407 20 30 FEEDLO C[C@@H]1CN(C(=O)C(C)(C)C)C[C@H](C)[N@H+]1CC(=O)NCc1cccc(C#N)c1 ZINC000429397233 559797948 /nfs/dbraw/zinc/79/79/48/559797948.db2.gz FKYLEXMEFAZVFL-IYBDPMFKSA-N 1 2 370.497 2.142 20 30 FEEDLO C[C@@H]1CN(C(=O)C(C)(C)C)C[C@H](C)[N@@H+]1CC(=O)NCc1cccc(C#N)c1 ZINC000429397233 559797949 /nfs/dbraw/zinc/79/79/49/559797949.db2.gz FKYLEXMEFAZVFL-IYBDPMFKSA-N 1 2 370.497 2.142 20 30 FEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@H](C)c1ncc(Br)cn1 ZINC000431097159 559833948 /nfs/dbraw/zinc/83/39/48/559833948.db2.gz BADSXEBZIJUWMI-VXGBXAGGSA-N 1 2 353.264 2.479 20 30 FEEDLO CC(C)OC[C@@H](CO)[N@H+](C)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000433247189 559874789 /nfs/dbraw/zinc/87/47/89/559874789.db2.gz NSBMROGDVNEPBY-QGZVFWFLSA-N 1 2 367.877 2.304 20 30 FEEDLO CC(C)OC[C@@H](CO)[N@@H+](C)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000433247189 559874790 /nfs/dbraw/zinc/87/47/90/559874790.db2.gz NSBMROGDVNEPBY-QGZVFWFLSA-N 1 2 367.877 2.304 20 30 FEEDLO N#Cc1cccc(C2(C(=O)NCc3ccc[nH+]c3N3CCOCC3)CC2)c1 ZINC000435037452 559914790 /nfs/dbraw/zinc/91/47/90/559914790.db2.gz WSCNWJQKLGYUSZ-UHFFFAOYSA-N 1 2 362.433 2.138 20 30 FEEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCOC[C@@H]1[C@@H]1CCCC1=O ZINC000439428001 559993713 /nfs/dbraw/zinc/99/37/13/559993713.db2.gz FJWSCDKEMAGDCE-CEXWTWQISA-N 1 2 359.466 2.225 20 30 FEEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCOC[C@@H]1[C@@H]1CCCC1=O ZINC000439428001 559993714 /nfs/dbraw/zinc/99/37/14/559993714.db2.gz FJWSCDKEMAGDCE-CEXWTWQISA-N 1 2 359.466 2.225 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(c3ncccc3C(N)=O)CC2)c(Cl)c1 ZINC000439444787 559994080 /nfs/dbraw/zinc/99/40/80/559994080.db2.gz VFGDYBITGHJPEG-UHFFFAOYSA-N 1 2 355.829 2.028 20 30 FEEDLO C[C@H]1C[N@H+](CC#Cc2cccc(Cl)c2)CCN1c1nccn2cnnc12 ZINC000441034371 560022047 /nfs/dbraw/zinc/02/20/47/560022047.db2.gz NSGYYTSSNWOYKK-HNNXBMFYSA-N 1 2 366.856 2.340 20 30 FEEDLO C[C@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)CCN1c1nccn2cnnc12 ZINC000441034371 560022048 /nfs/dbraw/zinc/02/20/48/560022048.db2.gz NSGYYTSSNWOYKK-HNNXBMFYSA-N 1 2 366.856 2.340 20 30 FEEDLO CC(C)(C)OC(=O)C[NH2+][C@]1(C)CCN(C(=O)NCc2cccc(C#N)c2)C1 ZINC000441152433 560025268 /nfs/dbraw/zinc/02/52/68/560025268.db2.gz JJDFBCMTPWAVMJ-HXUWFJFHSA-N 1 2 372.469 2.164 20 30 FEEDLO Cc1[nH+]c2cc(NC(=O)C(=O)Nc3ccc(C#N)cc3F)ccc2n1C ZINC000527436482 562287934 /nfs/dbraw/zinc/28/79/34/562287934.db2.gz XODJBXXLVYEQOJ-UHFFFAOYSA-N 1 2 351.341 2.470 20 30 FEEDLO C=C(C)[C@@H](CC(=O)N1CC[C@@](C)([NH2+]CC(=O)OC(C)(C)C)C1)OCC ZINC000442842582 560059299 /nfs/dbraw/zinc/05/92/99/560059299.db2.gz BWXXTTPXUVMPAY-DNVCBOLYSA-N 1 2 354.491 2.280 20 30 FEEDLO N#Cc1ccc(CNS(=O)(=O)c2ccccc2Cn2cc[nH+]c2)cc1 ZINC000442922838 560062395 /nfs/dbraw/zinc/06/23/95/560062395.db2.gz LDHWJZFSBRWSIB-UHFFFAOYSA-N 1 2 352.419 2.282 20 30 FEEDLO C[C@@H](NC(=O)c1cccc(C#N)c1Br)[C@@H](C)[NH+]1CCOCC1 ZINC000448915166 560206243 /nfs/dbraw/zinc/20/62/43/560206243.db2.gz CIJKBFAGWIQEII-VXGBXAGGSA-N 1 2 366.259 2.160 20 30 FEEDLO C=CCOc1cccc(C[N@@H+]2CCN(C(=O)c3cnn(C)c3)[C@@H](C)C2)c1 ZINC000449762083 560239338 /nfs/dbraw/zinc/23/93/38/560239338.db2.gz DROSBPDXUIIERJ-INIZCTEOSA-N 1 2 354.454 2.331 20 30 FEEDLO C=CCOc1cccc(C[N@H+]2CCN(C(=O)c3cnn(C)c3)[C@@H](C)C2)c1 ZINC000449762083 560239339 /nfs/dbraw/zinc/23/93/39/560239339.db2.gz DROSBPDXUIIERJ-INIZCTEOSA-N 1 2 354.454 2.331 20 30 FEEDLO Cc1ccc([C@H](CNC(=O)c2cc(C#N)[nH]c2C)[NH+]2CCOCC2)s1 ZINC000450040813 560248968 /nfs/dbraw/zinc/24/89/68/560248968.db2.gz IOTBGMHRCDQPDB-INIZCTEOSA-N 1 2 358.467 2.368 20 30 FEEDLO C[C@@H]1CN(CC(F)(F)F)CC[N@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000451871303 560333576 /nfs/dbraw/zinc/33/35/76/560333576.db2.gz KBLURUAISGXWLA-ZDUSSCGKSA-N 1 2 354.376 2.313 20 30 FEEDLO C[C@@H]1CN(CC(F)(F)F)CC[N@@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000451871303 560333577 /nfs/dbraw/zinc/33/35/77/560333577.db2.gz KBLURUAISGXWLA-ZDUSSCGKSA-N 1 2 354.376 2.313 20 30 FEEDLO C=CCC(C)(C)CNC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000455079380 560469449 /nfs/dbraw/zinc/46/94/49/560469449.db2.gz XUXPKIOHXAYUKK-UHFFFAOYSA-N 1 2 359.474 2.193 20 30 FEEDLO CC(C)(CC#N)CNC(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000458367939 560617632 /nfs/dbraw/zinc/61/76/32/560617632.db2.gz MTCKEMXUEDLIDZ-SFHVURJKSA-N 1 2 358.486 2.169 20 30 FEEDLO C=CCC[C@H](CO)NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000458631029 560637378 /nfs/dbraw/zinc/63/73/78/560637378.db2.gz YTUQEMWZZMXYBA-KBRIMQKVSA-N 1 2 353.413 2.336 20 30 FEEDLO C=CCC[C@H](CO)NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000458631029 560637379 /nfs/dbraw/zinc/63/73/79/560637379.db2.gz YTUQEMWZZMXYBA-KBRIMQKVSA-N 1 2 353.413 2.336 20 30 FEEDLO CN(C)c1noc([C@H]2CCC[N@H+](Cc3c(C#N)cccc3[N+](=O)[O-])C2)n1 ZINC000459429851 560685889 /nfs/dbraw/zinc/68/58/89/560685889.db2.gz CVTHNYCLUITCSN-ZDUSSCGKSA-N 1 2 356.386 2.295 20 30 FEEDLO CN(C)c1noc([C@H]2CCC[N@@H+](Cc3c(C#N)cccc3[N+](=O)[O-])C2)n1 ZINC000459429851 560685890 /nfs/dbraw/zinc/68/58/90/560685890.db2.gz CVTHNYCLUITCSN-ZDUSSCGKSA-N 1 2 356.386 2.295 20 30 FEEDLO CNC(=O)NC1C[NH+](Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000459610113 560697631 /nfs/dbraw/zinc/69/76/31/560697631.db2.gz MTFBZLHQQMALEK-UHFFFAOYSA-N 1 2 350.422 2.250 20 30 FEEDLO C[C@@H](C[N@H+](C)CCS(=O)(=O)c1cccc(C#N)c1)C(=O)OC(C)(C)C ZINC000459810791 560710025 /nfs/dbraw/zinc/71/00/25/560710025.db2.gz QILHEKMOCRKQDL-AWEZNQCLSA-N 1 2 366.483 2.242 20 30 FEEDLO C[C@@H](C[N@@H+](C)CCS(=O)(=O)c1cccc(C#N)c1)C(=O)OC(C)(C)C ZINC000459810791 560710026 /nfs/dbraw/zinc/71/00/26/560710026.db2.gz QILHEKMOCRKQDL-AWEZNQCLSA-N 1 2 366.483 2.242 20 30 FEEDLO C=CCN(Cc1cccs1)C(=O)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000459863393 560714543 /nfs/dbraw/zinc/71/45/43/560714543.db2.gz FUJQYPJETWYKFY-UHFFFAOYSA-N 1 2 358.467 2.323 20 30 FEEDLO N#Cc1cccnc1-n1cc(NC(=O)N2CCC(n3cc[nH+]c3)CC2)cn1 ZINC000462090017 560796424 /nfs/dbraw/zinc/79/64/24/560796424.db2.gz BXTWUADUTFWORF-UHFFFAOYSA-N 1 2 362.397 2.204 20 30 FEEDLO Cc1ccc2[nH+]c(CNC(=O)N3CC(Oc4ccc(C#N)cc4)C3)cn2c1 ZINC000462144111 560799120 /nfs/dbraw/zinc/79/91/20/560799120.db2.gz XQLGYNSGLCTUSW-UHFFFAOYSA-N 1 2 361.405 2.487 20 30 FEEDLO COC(=O)[C@@H]1C[C@@H](C2CCCCC2)C[N@@H+]1CC(=O)N[C@@](C)(C#N)C(C)C ZINC000464817570 560852188 /nfs/dbraw/zinc/85/21/88/560852188.db2.gz HCFKZNOZEYUIIR-UWVAXJGDSA-N 1 2 363.502 2.485 20 30 FEEDLO COC(=O)[C@@H]1C[C@@H](C2CCCCC2)C[N@H+]1CC(=O)N[C@@](C)(C#N)C(C)C ZINC000464817570 560852189 /nfs/dbraw/zinc/85/21/89/560852189.db2.gz HCFKZNOZEYUIIR-UWVAXJGDSA-N 1 2 363.502 2.485 20 30 FEEDLO C=CC[C@@H](CC)NC(=O)N1CC[NH+](CC(=O)N2CCCC[C@H]2C)CC1 ZINC000466378306 560885388 /nfs/dbraw/zinc/88/53/88/560885388.db2.gz KTLRZRTWQUPYRG-IAGOWNOFSA-N 1 2 350.507 2.069 20 30 FEEDLO N#CCCN(C(=O)C[N@H+]1CCSC[C@H]1CCO)c1cccc(Cl)c1 ZINC000470221330 560976960 /nfs/dbraw/zinc/97/69/60/560976960.db2.gz XUXNNZYBWKNERR-MRXNPFEDSA-N 1 2 367.902 2.386 20 30 FEEDLO N#CCCN(C(=O)C[N@@H+]1CCSC[C@H]1CCO)c1cccc(Cl)c1 ZINC000470221330 560976961 /nfs/dbraw/zinc/97/69/61/560976961.db2.gz XUXNNZYBWKNERR-MRXNPFEDSA-N 1 2 367.902 2.386 20 30 FEEDLO CCN(CCC#N)C(=O)C[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000471019375 560996567 /nfs/dbraw/zinc/99/65/67/560996567.db2.gz RQABILHLBTUCJI-GOSISDBHSA-N 1 2 373.888 2.284 20 30 FEEDLO Cc1nn(C)c(N2CC[NH+]([C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)c1C#N ZINC000472161262 561019868 /nfs/dbraw/zinc/01/98/68/561019868.db2.gz WMSJUJLSFUKGHU-AWEZNQCLSA-N 1 2 354.414 2.392 20 30 FEEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1cnn(C)c1C#N ZINC000476187259 561112589 /nfs/dbraw/zinc/11/25/89/561112589.db2.gz GUPOSCXCPRFTIL-UHFFFAOYSA-N 1 2 352.442 2.065 20 30 FEEDLO C[C@@H](c1nccs1)N1CC[NH+](C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000528453098 562330169 /nfs/dbraw/zinc/33/01/69/562330169.db2.gz XMLBBQOVBADCQB-DOTOQJQBSA-N 1 2 372.494 2.133 20 30 FEEDLO C[C@](C#N)(NC(=O)C[NH+]1CCN(c2cccc3[nH]ccc32)CC1)C1CC1 ZINC000528763515 562346456 /nfs/dbraw/zinc/34/64/56/562346456.db2.gz SFVSBXMODVPEGY-HXUWFJFHSA-N 1 2 351.454 2.098 20 30 FEEDLO COCc1ccc(NC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)cc1C#N ZINC000529217487 562365335 /nfs/dbraw/zinc/36/53/35/562365335.db2.gz SGWXICVGKZZNRF-IBGZPJMESA-N 1 2 372.469 2.423 20 30 FEEDLO C[NH+]1CCC(C#N)(NC(=O)CSCC(=O)c2ccc(Cl)cc2)CC1 ZINC000530623472 562418167 /nfs/dbraw/zinc/41/81/67/562418167.db2.gz KQDSZBIPXGKZSO-UHFFFAOYSA-N 1 2 365.886 2.360 20 30 FEEDLO Cc1sc(NC(=O)C[N@@H+]2CCC[C@H](N3CCCC3=O)C2)c(C#N)c1C ZINC000532582434 562482263 /nfs/dbraw/zinc/48/22/63/562482263.db2.gz YZIXYBGPVVBOMT-AWEZNQCLSA-N 1 2 360.483 2.262 20 30 FEEDLO Cc1sc(NC(=O)C[N@H+]2CCC[C@H](N3CCCC3=O)C2)c(C#N)c1C ZINC000532582434 562482264 /nfs/dbraw/zinc/48/22/64/562482264.db2.gz YZIXYBGPVVBOMT-AWEZNQCLSA-N 1 2 360.483 2.262 20 30 FEEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCCC[C@H]1c1nc2ccccc2n1C ZINC000533065985 562497159 /nfs/dbraw/zinc/49/71/59/562497159.db2.gz IBVFXWRLNWEKQV-INIZCTEOSA-N 1 2 355.442 2.112 20 30 FEEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCCC[C@H]1c1nc2ccccc2n1C ZINC000533065985 562497160 /nfs/dbraw/zinc/49/71/60/562497160.db2.gz IBVFXWRLNWEKQV-INIZCTEOSA-N 1 2 355.442 2.112 20 30 FEEDLO COC(=O)c1cccc(C[NH+]2CCN(c3cccc(O)c3)CC2)c1C#N ZINC000533778469 562517883 /nfs/dbraw/zinc/51/78/83/562517883.db2.gz UDDRHEBTTINPCD-UHFFFAOYSA-N 1 2 351.406 2.373 20 30 FEEDLO N#Cc1ccc(NC(=O)C(=O)N2CC[NH+](Cc3ccsc3)CC2)c(F)c1 ZINC000533817960 562519154 /nfs/dbraw/zinc/51/91/54/562519154.db2.gz RSXYUMFYNAXNOD-UHFFFAOYSA-N 1 2 372.425 2.042 20 30 FEEDLO C[C@@H]1[C@@H](C)[N@H+](C)CCN1S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000536129741 562573153 /nfs/dbraw/zinc/57/31/53/562573153.db2.gz CSLSBCAQQBTPCA-GHMZBOCLSA-N 1 2 361.389 2.290 20 30 FEEDLO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000536129741 562573154 /nfs/dbraw/zinc/57/31/54/562573154.db2.gz CSLSBCAQQBTPCA-GHMZBOCLSA-N 1 2 361.389 2.290 20 30 FEEDLO COC(=O)[C@@H](C1CC1)[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000541985575 562625002 /nfs/dbraw/zinc/62/50/02/562625002.db2.gz CAXDLQNGYFNNSS-LJQANCHMSA-N 1 2 350.422 2.180 20 30 FEEDLO C=CCNS(=O)(=O)c1ccc(-c2nc(Cc3ccc(C)[nH+]c3)no2)cc1 ZINC000546347055 562636325 /nfs/dbraw/zinc/63/63/25/562636325.db2.gz OGMFMZAJJULHHZ-UHFFFAOYSA-N 1 2 370.434 2.495 20 30 FEEDLO Cn1c[nH+]cc1Cc1noc(-c2ccc(S(=O)(=O)CCCC#N)cc2)n1 ZINC000546539921 562637647 /nfs/dbraw/zinc/63/76/47/562637647.db2.gz MFPSOTBDWYUGCD-UHFFFAOYSA-N 1 2 371.422 2.138 20 30 FEEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+](C)[C@H]1CCCCN(C)C1=O ZINC000601968380 567889849 /nfs/dbraw/zinc/88/98/49/567889849.db2.gz FHZAKOAFFWFYEZ-QAPCUYQASA-N 1 2 374.460 2.404 20 30 FEEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+](C)[C@H]1CCCCN(C)C1=O ZINC000601968380 567889851 /nfs/dbraw/zinc/88/98/51/567889851.db2.gz FHZAKOAFFWFYEZ-QAPCUYQASA-N 1 2 374.460 2.404 20 30 FEEDLO Cc1ccc(SCCNC(=O)C[NH+]2C[C@@H](C)N(CC#N)[C@H](C)C2)cc1 ZINC000602857546 568002696 /nfs/dbraw/zinc/00/26/96/568002696.db2.gz SKWHXXQFMGKPBL-IAGOWNOFSA-N 1 2 360.527 2.122 20 30 FEEDLO COc1ccccc1[C@H](C)N(C)C(=O)C[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602866340 568008204 /nfs/dbraw/zinc/00/82/04/568008204.db2.gz VQUOENFEXYTCGW-ULQDDVLXSA-N 1 2 358.486 2.133 20 30 FEEDLO CC(C)c1nnc(CC2CC[NH+]([C@@H](C)C(=O)NC3(C#N)CCC3)CC2)[nH]1 ZINC000602866889 568008428 /nfs/dbraw/zinc/00/84/28/568008428.db2.gz TYBBHTHPXDMPDF-AWEZNQCLSA-N 1 2 358.490 2.134 20 30 FEEDLO C[C@@H](CC#N)[NH2+][C@@H](C)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 ZINC000602870460 568009052 /nfs/dbraw/zinc/00/90/52/568009052.db2.gz UFGSONIBUQEKTH-UWVGGRQHSA-N 1 2 354.332 2.271 20 30 FEEDLO C[N@H+](CC(=O)N1CCC(NC(=O)c2ccccc2)CC1)[C@H]1CCC[C@@H]1C#N ZINC000602980407 568037016 /nfs/dbraw/zinc/03/70/16/568037016.db2.gz PUOKMPDHJBDUKJ-MJGOQNOKSA-N 1 2 368.481 2.031 20 30 FEEDLO C[N@@H+](CC(=O)N1CCC(NC(=O)c2ccccc2)CC1)[C@H]1CCC[C@@H]1C#N ZINC000602980407 568037017 /nfs/dbraw/zinc/03/70/17/568037017.db2.gz PUOKMPDHJBDUKJ-MJGOQNOKSA-N 1 2 368.481 2.031 20 30 FEEDLO C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(OC(F)F)cc2)C[C@H](C)N1CC#N ZINC000602861129 568049543 /nfs/dbraw/zinc/04/95/43/568049543.db2.gz KQAUZQUUQFEOKF-BETUJISGSA-N 1 2 352.385 2.145 20 30 FEEDLO C[C@@H]1C[N@H+](CC(=O)Nc2ccc(OC(F)F)cc2)C[C@H](C)N1CC#N ZINC000602861129 568049544 /nfs/dbraw/zinc/04/95/44/568049544.db2.gz KQAUZQUUQFEOKF-BETUJISGSA-N 1 2 352.385 2.145 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)n1cc(C[NH2+]Cc2ccc(F)cc2)nn1 ZINC000603175627 568067990 /nfs/dbraw/zinc/06/79/90/568067990.db2.gz LWZLAZOZIXOJRG-IFXJQAMLSA-N 1 2 372.448 2.322 20 30 FEEDLO C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc3[nH+]ccn3c2)cc1 ZINC000603809176 568143019 /nfs/dbraw/zinc/14/30/19/568143019.db2.gz RYIUYRAFKGGLPY-UHFFFAOYSA-N 1 2 356.407 2.051 20 30 FEEDLO Cc1nc([C@H]2CCCC[N@@H+]2C[C@H](O)COc2ccc(CC#N)cc2)no1 ZINC000603844414 568156338 /nfs/dbraw/zinc/15/63/38/568156338.db2.gz GAGULEYKOKGIHT-FUHWJXTLSA-N 1 2 356.426 2.411 20 30 FEEDLO Cc1nc([C@H]2CCCC[N@H+]2C[C@H](O)COc2ccc(CC#N)cc2)no1 ZINC000603844414 568156340 /nfs/dbraw/zinc/15/63/40/568156340.db2.gz GAGULEYKOKGIHT-FUHWJXTLSA-N 1 2 356.426 2.411 20 30 FEEDLO N#C[C@H](c1ccccc1)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC000822801173 607388554 /nfs/dbraw/zinc/38/85/54/607388554.db2.gz FYGFYNZMYXOECM-MRXNPFEDSA-N 1 2 365.466 2.311 20 30 FEEDLO N#Cc1cccc([C@H]2C[N@H+](Cc3ccc(F)cc3-c3nn[nH]n3)CCO2)c1 ZINC000826386685 608069262 /nfs/dbraw/zinc/06/92/62/608069262.db2.gz OMSMCZVOGLTHNB-GOSISDBHSA-N 1 2 364.384 2.451 20 30 FEEDLO N#Cc1cccc([C@H]2C[N@@H+](Cc3ccc(F)cc3-c3nn[nH]n3)CCO2)c1 ZINC000826386685 608069263 /nfs/dbraw/zinc/06/92/63/608069263.db2.gz OMSMCZVOGLTHNB-GOSISDBHSA-N 1 2 364.384 2.451 20 30 FEEDLO C[C@@H]1CC[N@H+](Cc2cn(CCC#N)nc2-c2ccncc2)CC[S@]1=O ZINC000562427526 674754954 /nfs/dbraw/zinc/75/49/54/674754954.db2.gz ZOXMLUNWKQTXLF-SGANQWHYSA-N 1 2 357.483 2.202 20 30 FEEDLO C[C@@H]1CC[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)CC[S@]1=O ZINC000562427526 674754958 /nfs/dbraw/zinc/75/49/58/674754958.db2.gz ZOXMLUNWKQTXLF-SGANQWHYSA-N 1 2 357.483 2.202 20 30 FEEDLO N#Cc1ccc(N2CCC[C@H]([N@@H+]3CCO[C@@]4(CCSC4)C3)C2=O)cc1 ZINC000563067750 674843117 /nfs/dbraw/zinc/84/31/17/674843117.db2.gz IXURAMRCWYAIOZ-HKUYNNGSSA-N 1 2 357.479 2.262 20 30 FEEDLO N#Cc1ccc(N2CCC[C@H]([N@H+]3CCO[C@@]4(CCSC4)C3)C2=O)cc1 ZINC000563067750 674843118 /nfs/dbraw/zinc/84/31/18/674843118.db2.gz IXURAMRCWYAIOZ-HKUYNNGSSA-N 1 2 357.479 2.262 20 30 FEEDLO CCC1(CC)[C@H](OC)C[C@H]1[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000564149016 674978530 /nfs/dbraw/zinc/97/85/30/674978530.db2.gz YAOKMBBWVUXEFG-HZPDHXFCSA-N 1 2 365.499 2.252 20 30 FEEDLO CCC1(CC)[C@H](OC)C[C@H]1[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000564149016 674978532 /nfs/dbraw/zinc/97/85/32/674978532.db2.gz YAOKMBBWVUXEFG-HZPDHXFCSA-N 1 2 365.499 2.252 20 30 FEEDLO CC(C)c1cccc(/N=C2\NC(=O)[C@@H](CC(=O)NCC[NH+](C)C)S2)c1 ZINC000106898584 670815788 /nfs/dbraw/zinc/81/57/88/670815788.db2.gz UCVTZNCUJLMXQE-OAHLLOKOSA-N 1 2 362.499 2.097 20 30 FEEDLO CCC[N@H+](CCS(=O)(=O)c1ccc(C#N)cn1)C[C@H]1CCCCO1 ZINC000575112374 671298790 /nfs/dbraw/zinc/29/87/90/671298790.db2.gz NCTHYYPTXSOTBG-MRXNPFEDSA-N 1 2 351.472 2.008 20 30 FEEDLO CCC[N@@H+](CCS(=O)(=O)c1ccc(C#N)cn1)C[C@H]1CCCCO1 ZINC000575112374 671298792 /nfs/dbraw/zinc/29/87/92/671298792.db2.gz NCTHYYPTXSOTBG-MRXNPFEDSA-N 1 2 351.472 2.008 20 30 FEEDLO C[C@@H]1CCN(S(=O)(=O)Cc2ccc(CC#N)cc2)C[C@H]1n1cc[nH+]c1 ZINC000577628575 671609364 /nfs/dbraw/zinc/60/93/64/671609364.db2.gz MLAAAAKUWNLYNM-CRAIPNDOSA-N 1 2 358.467 2.362 20 30 FEEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CC3(CCOCC3)[C@@H]2C2CC2)c1 ZINC000580518622 671814513 /nfs/dbraw/zinc/81/45/13/671814513.db2.gz OGOVUFJEOMRNDG-SFHVURJKSA-N 1 2 360.479 2.223 20 30 FEEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CC3(CCOCC3)[C@@H]2C2CC2)c1 ZINC000580518622 671814516 /nfs/dbraw/zinc/81/45/16/671814516.db2.gz OGOVUFJEOMRNDG-SFHVURJKSA-N 1 2 360.479 2.223 20 30 FEEDLO C#CCSCCNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000129602497 672064860 /nfs/dbraw/zinc/06/48/60/672064860.db2.gz KHJDXBZEIZSHED-CVEARBPZSA-N 1 2 353.438 2.376 20 30 FEEDLO C#CCSCCNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000129602497 672064862 /nfs/dbraw/zinc/06/48/62/672064862.db2.gz KHJDXBZEIZSHED-CVEARBPZSA-N 1 2 353.438 2.376 20 30 FEEDLO N#Cc1cncc(S(=O)(=O)Nc2cccc(C[NH+]3CCSCC3)c2)c1 ZINC000589590859 672533006 /nfs/dbraw/zinc/53/30/06/672533006.db2.gz BICFHHPJGZNCNR-UHFFFAOYSA-N 1 2 374.491 2.303 20 30 FEEDLO CN1C(=O)NCC12CC[NH+](Cc1ccc(Br)cc1C#N)CC2 ZINC000591855619 672716908 /nfs/dbraw/zinc/71/69/08/672716908.db2.gz JBMASZRYIUELRH-UHFFFAOYSA-N 1 2 363.259 2.310 20 30 FEEDLO N#Cc1cnccc1CN1CC[NH+]([C@@H](CO)c2ccc(Cl)cc2)CC1 ZINC000592069953 672746608 /nfs/dbraw/zinc/74/66/08/672746608.db2.gz BZUCBPFTMCBYLV-IBGZPJMESA-N 1 2 356.857 2.458 20 30 FEEDLO N#Cc1sccc1S(=O)(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000593534876 672936273 /nfs/dbraw/zinc/93/62/73/672936273.db2.gz GLGHVTIZCBQDAU-UHFFFAOYSA-N 1 2 367.521 2.230 20 30 FEEDLO CCN1CC[NH+]([C@@H]2CCN(C(=O)N[C@@H](C)c3csc(C)n3)C2)CC1 ZINC000329386025 673076160 /nfs/dbraw/zinc/07/61/60/673076160.db2.gz PNBLGPCYMUHBLW-DZGCQCFKSA-N 1 2 351.520 2.138 20 30 FEEDLO COc1ccc(C[NH2+]Cc2nc(C(N)=O)cs2)cc1OCCCC#N ZINC000594983158 673183059 /nfs/dbraw/zinc/18/30/59/673183059.db2.gz GHQIWDSOFCJRSO-UHFFFAOYSA-N 1 2 360.439 2.223 20 30 FEEDLO N#Cc1cc(S(=O)(=O)NC[C@H]2CC[N@@H+]2Cc2ccccc2)ccc1F ZINC000595394093 673241214 /nfs/dbraw/zinc/24/12/14/673241214.db2.gz CLZOJJITMJATPR-MRXNPFEDSA-N 1 2 359.426 2.250 20 30 FEEDLO N#Cc1cc(S(=O)(=O)NC[C@H]2CC[N@H+]2Cc2ccccc2)ccc1F ZINC000595394093 673241215 /nfs/dbraw/zinc/24/12/15/673241215.db2.gz CLZOJJITMJATPR-MRXNPFEDSA-N 1 2 359.426 2.250 20 30 FEEDLO CNS(=O)(=O)c1ccc(C(C)=NNc2cc[nH+]c3ccccc23)cc1 ZINC000730147735 673263642 /nfs/dbraw/zinc/26/36/42/673263642.db2.gz JEZPKKHDIXRUDC-UHFFFAOYSA-N 1 2 354.435 2.401 20 30 FEEDLO C[N@@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)C[C@@H]1COCCO1 ZINC000595746042 673288647 /nfs/dbraw/zinc/28/86/47/673288647.db2.gz ZVDJPVNMARJBBX-CYBMUJFWSA-N 1 2 363.483 2.174 20 30 FEEDLO C[N@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)C[C@@H]1COCCO1 ZINC000595746042 673288648 /nfs/dbraw/zinc/28/86/48/673288648.db2.gz ZVDJPVNMARJBBX-CYBMUJFWSA-N 1 2 363.483 2.174 20 30 FEEDLO CCS[C@H](C)c1noc(C[N@H+](C)C[C@@H](O)CC2(C#N)CCOCC2)n1 ZINC000599322035 673658811 /nfs/dbraw/zinc/65/88/11/673658811.db2.gz XFSJEEMNKIHBSD-KGLIPLIRSA-N 1 2 368.503 2.387 20 30 FEEDLO CCS[C@H](C)c1noc(C[N@@H+](C)C[C@@H](O)CC2(C#N)CCOCC2)n1 ZINC000599322035 673658815 /nfs/dbraw/zinc/65/88/15/673658815.db2.gz XFSJEEMNKIHBSD-KGLIPLIRSA-N 1 2 368.503 2.387 20 30 FEEDLO COc1cc(CNc2cc(CC#N)cc[nH+]2)cc(Cl)c1OCC(N)=O ZINC000545219264 673752427 /nfs/dbraw/zinc/75/24/27/673752427.db2.gz SPFJEEZFPGZCME-UHFFFAOYSA-N 1 2 360.801 2.286 20 30 FEEDLO CCOC(=O)c1ncc(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)s1 ZINC000602835362 673911898 /nfs/dbraw/zinc/91/18/98/673911898.db2.gz BAHKYMIGLNSVGQ-ZDUSSCGKSA-N 1 2 358.423 2.240 20 30 FEEDLO CCOC(=O)c1ncc(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)s1 ZINC000602835362 673911901 /nfs/dbraw/zinc/91/19/01/673911901.db2.gz BAHKYMIGLNSVGQ-ZDUSSCGKSA-N 1 2 358.423 2.240 20 30 FEEDLO C[N@@H+]1CCc2c(cccc2S(=O)(=O)N2CCc3c2cccc3C#N)C1 ZINC000603364961 673926841 /nfs/dbraw/zinc/92/68/41/673926841.db2.gz GUNXVINURKRKKH-UHFFFAOYSA-N 1 2 353.447 2.298 20 30 FEEDLO C[N@H+]1CCc2c(cccc2S(=O)(=O)N2CCc3c2cccc3C#N)C1 ZINC000603364961 673926845 /nfs/dbraw/zinc/92/68/45/673926845.db2.gz GUNXVINURKRKKH-UHFFFAOYSA-N 1 2 353.447 2.298 20 30 FEEDLO C[N@@H+]1CCO[C@H]([C@H](NC(=O)NCC2(C#N)CC2)c2ccc(Cl)cc2)C1 ZINC000567668603 675310541 /nfs/dbraw/zinc/31/05/41/675310541.db2.gz NZBFMQYROGQJRT-JKSUJKDBSA-N 1 2 362.861 2.315 20 30 FEEDLO C[N@H+]1CCO[C@H]([C@H](NC(=O)NCC2(C#N)CC2)c2ccc(Cl)cc2)C1 ZINC000567668603 675310545 /nfs/dbraw/zinc/31/05/45/675310545.db2.gz NZBFMQYROGQJRT-JKSUJKDBSA-N 1 2 362.861 2.315 20 30 FEEDLO C[N@H+]1Cc2ccccc2[C@@H](NS(=O)(=O)Cc2ccc(C#N)cc2F)C1 ZINC000616425996 676249810 /nfs/dbraw/zinc/24/98/10/676249810.db2.gz ZIGABSBZIRPTKT-SFHVURJKSA-N 1 2 359.426 2.303 20 30 FEEDLO C[N@@H+]1Cc2ccccc2[C@@H](NS(=O)(=O)Cc2ccc(C#N)cc2F)C1 ZINC000616425996 676249811 /nfs/dbraw/zinc/24/98/11/676249811.db2.gz ZIGABSBZIRPTKT-SFHVURJKSA-N 1 2 359.426 2.303 20 30 FEEDLO C=CCOc1c(Cl)cc(C[NH2+]Cc2nnc3n2CCOC3)cc1OC ZINC000623507121 676538539 /nfs/dbraw/zinc/53/85/39/676538539.db2.gz ZLGBDGMENCTENY-UHFFFAOYSA-N 1 2 364.833 2.325 20 30 FEEDLO NC(=NOCc1ccnc(Cl)c1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000760437757 680687457 /nfs/dbraw/zinc/68/74/57/680687457.db2.gz IEYJIUVHCRNVLX-UHFFFAOYSA-N 1 2 360.845 2.404 20 30 FEEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1C[C@@H](OC)C[C@]1(C)CO ZINC000640007649 677171188 /nfs/dbraw/zinc/17/11/88/677171188.db2.gz FPFBLCHQBUMMBC-KBXCAEBGSA-N 1 2 350.484 2.375 20 30 FEEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1C[C@@H](OC)C[C@]1(C)CO ZINC000640007649 677171189 /nfs/dbraw/zinc/17/11/89/677171189.db2.gz FPFBLCHQBUMMBC-KBXCAEBGSA-N 1 2 350.484 2.375 20 30 FEEDLO CC#CC[NH2+]Cc1cn(C[C@@H](O)COc2cc(Cl)ccc2Cl)nn1 ZINC000641203087 677196690 /nfs/dbraw/zinc/19/66/90/677196690.db2.gz QJHLIPXQGWARDI-CQSZACIVSA-N 1 2 369.252 2.138 20 30 FEEDLO C=CC(C)(C)CNC(=O)N1CC[N@@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000838665619 680711009 /nfs/dbraw/zinc/71/10/09/680711009.db2.gz RTKPHANHGOHZKV-AWEZNQCLSA-N 1 2 354.495 2.049 20 30 FEEDLO C=CC(C)(C)CNC(=O)N1CC[N@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000838665619 680711011 /nfs/dbraw/zinc/71/10/11/680711011.db2.gz RTKPHANHGOHZKV-AWEZNQCLSA-N 1 2 354.495 2.049 20 30 FEEDLO C=CC[C@H]1CCC[N@@H+](CC(=O)N(CCCC)[C@H]2CCS(=O)(=O)C2)C1 ZINC000661377650 678472652 /nfs/dbraw/zinc/47/26/52/678472652.db2.gz RBOWCKTUQWZICS-IRXDYDNUSA-N 1 2 356.532 2.090 20 30 FEEDLO C=CC[C@H]1CCC[N@H+](CC(=O)N(CCCC)[C@H]2CCS(=O)(=O)C2)C1 ZINC000661377650 678472655 /nfs/dbraw/zinc/47/26/55/678472655.db2.gz RBOWCKTUQWZICS-IRXDYDNUSA-N 1 2 356.532 2.090 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H](C[N@@H+](C)Cc2nncs2)C1 ZINC001017224507 680073906 /nfs/dbraw/zinc/07/39/06/680073906.db2.gz AFHISYCDNWBWID-ZOBUZTSGSA-N 1 2 364.515 2.190 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H](C[N@H+](C)Cc2nncs2)C1 ZINC001017224507 680073911 /nfs/dbraw/zinc/07/39/11/680073911.db2.gz AFHISYCDNWBWID-ZOBUZTSGSA-N 1 2 364.515 2.190 20 30 FEEDLO Cn1c[nH+]cc1COC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 ZINC000835194431 680305705 /nfs/dbraw/zinc/30/57/05/680305705.db2.gz RKNFDVATIWNOAA-GFCCVEGCSA-N 1 2 358.785 2.041 20 30 FEEDLO N#Cc1ccc(N2C[C@@H](C(=O)OCCn3cc[nH+]c3)CC2=O)cc1Cl ZINC000835350267 680322173 /nfs/dbraw/zinc/32/21/73/680322173.db2.gz ORTHSZOTYABKHC-ZDUSSCGKSA-N 1 2 358.785 2.004 20 30 FEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2cnsn2)C(C)(C)C1 ZINC000996394770 680331170 /nfs/dbraw/zinc/33/11/70/680331170.db2.gz PEXLBBZXRNJQLP-XHSDSOJGSA-N 1 2 364.515 2.236 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1Cc1c(C)nn(C)c1Cl ZINC001028141332 680369813 /nfs/dbraw/zinc/36/98/13/680369813.db2.gz BNAYKXJAXJTZGT-LZWOXQAQSA-N 1 2 366.893 2.054 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1c(C)nn(C)c1Cl ZINC001028141332 680369816 /nfs/dbraw/zinc/36/98/16/680369816.db2.gz BNAYKXJAXJTZGT-LZWOXQAQSA-N 1 2 366.893 2.054 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](CC(=C)Br)C1 ZINC001033496936 680424625 /nfs/dbraw/zinc/42/46/25/680424625.db2.gz IVBPJALMPMQIRW-KKUMJFAQSA-N 1 2 357.292 2.409 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](CC(=C)Br)C1 ZINC001033496936 680424627 /nfs/dbraw/zinc/42/46/27/680424627.db2.gz IVBPJALMPMQIRW-KKUMJFAQSA-N 1 2 357.292 2.409 20 30 FEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)C1 ZINC001035606846 680450869 /nfs/dbraw/zinc/45/08/69/680450869.db2.gz JGJKPJWWMBUTHU-VNQPRFMTSA-N 1 2 350.409 2.461 20 30 FEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)C1 ZINC001035606846 680450873 /nfs/dbraw/zinc/45/08/73/680450873.db2.gz JGJKPJWWMBUTHU-VNQPRFMTSA-N 1 2 350.409 2.461 20 30 FEEDLO C=C(Br)C[NH+]1CCC(NC(=O)[C@]23CCC[C@H]2OCC3)CC1 ZINC001003295939 680524835 /nfs/dbraw/zinc/52/48/35/680524835.db2.gz DLHGZDBPDIQYIN-ZBFHGGJFSA-N 1 2 357.292 2.435 20 30 FEEDLO N#Cc1cnc(N[C@@H]2CCCC[C@H]2NC(=O)Cc2c[nH]c[nH+]2)c(Cl)c1 ZINC001045781582 680640421 /nfs/dbraw/zinc/64/04/21/680640421.db2.gz CIFQYCFAPRGNDY-HUUCEWRRSA-N 1 2 358.833 2.412 20 30 FEEDLO C#CCC[NH+]1CCN(C(=O)c2ccc(C(F)(F)F)nc2OCC)CC1 ZINC000760214552 680679979 /nfs/dbraw/zinc/67/99/79/680679979.db2.gz AEHUBLQCVANZFV-UHFFFAOYSA-N 1 2 355.360 2.280 20 30 FEEDLO C#CC[NH+]1CCC(C(=O)OCC(=O)c2cccc(OC(F)F)c2)CC1 ZINC000772113431 681086412 /nfs/dbraw/zinc/08/64/12/681086412.db2.gz DYENBJVXDCRWSK-UHFFFAOYSA-N 1 2 351.349 2.359 20 30 FEEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CC=CC[C@H]1C(F)(F)F)CO2 ZINC001053847454 681104434 /nfs/dbraw/zinc/10/44/34/681104434.db2.gz FJJSTXOROKBWTF-RRFJBIMHSA-N 1 2 356.388 2.114 20 30 FEEDLO C#C[C@H](C)NC(=O)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000773600654 681149652 /nfs/dbraw/zinc/14/96/52/681149652.db2.gz JFKLJJUJBXQPIU-ZDUSSCGKSA-N 1 2 355.360 2.434 20 30 FEEDLO CCOC(C[N@H+](CC)[C@H]1CCN(c2sccc2C#N)C1=O)OCC ZINC000846974036 681315341 /nfs/dbraw/zinc/31/53/41/681315341.db2.gz IOLDETVLYFKKAA-AWEZNQCLSA-N 1 2 351.472 2.446 20 30 FEEDLO CCOC(C[N@@H+](CC)[C@H]1CCN(c2sccc2C#N)C1=O)OCC ZINC000846974036 681315345 /nfs/dbraw/zinc/31/53/45/681315345.db2.gz IOLDETVLYFKKAA-AWEZNQCLSA-N 1 2 351.472 2.446 20 30 FEEDLO N#Cc1ccc(F)c(C[NH+]2CCC(S(=O)(=O)N3CCCCC3)CC2)c1 ZINC000933094695 681362328 /nfs/dbraw/zinc/36/23/28/681362328.db2.gz XHLZBXQNXQDYSI-UHFFFAOYSA-N 1 2 365.474 2.477 20 30 FEEDLO C[C@@H]1CSCCC[N@@H+]1CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000934300379 681547775 /nfs/dbraw/zinc/54/77/75/681547775.db2.gz CTRGZRHAWLRXJP-TZMCWYRMSA-N 1 2 356.451 2.339 20 30 FEEDLO C[C@@H]1CSCCC[N@H+]1CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000934300379 681547778 /nfs/dbraw/zinc/54/77/78/681547778.db2.gz CTRGZRHAWLRXJP-TZMCWYRMSA-N 1 2 356.451 2.339 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC2(CC1)C[N@H+](C/C=C/Cl)CCO2 ZINC000949370582 681635416 /nfs/dbraw/zinc/63/54/16/681635416.db2.gz ZKLTYOWHQHMAFY-CDFMYIFESA-N 1 2 368.905 2.414 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC2(CC1)C[N@@H+](C/C=C/Cl)CCO2 ZINC000949370582 681635419 /nfs/dbraw/zinc/63/54/19/681635419.db2.gz ZKLTYOWHQHMAFY-CDFMYIFESA-N 1 2 368.905 2.414 20 30 FEEDLO Cc1cc(C#N)cc(C)c1CS(=O)(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000914295109 685502817 /nfs/dbraw/zinc/50/28/17/685502817.db2.gz NRIOKYNNHYYLQJ-MRXNPFEDSA-N 1 2 358.467 2.228 20 30 FEEDLO C=C(Cl)C(C)(C)C(=O)N1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000942450246 682183107 /nfs/dbraw/zinc/18/31/07/682183107.db2.gz FYQPKCYKVANBLG-MGPQQGTHSA-N 1 2 364.877 2.019 20 30 FEEDLO C#C[C@@H](NC(=O)N1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(Cl)cc1F ZINC000852322665 682260783 /nfs/dbraw/zinc/26/07/83/682260783.db2.gz PCPMTOZKCHKMQG-WMLDXEAASA-N 1 2 365.836 2.270 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](Cc2cc(OC)ns2)C1 ZINC000969693493 682272818 /nfs/dbraw/zinc/27/28/18/682272818.db2.gz VHMFBDRTIHGTMT-MAZHCROVSA-N 1 2 365.499 2.069 20 30 FEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2OCCO[C@@H]2c2ccccc2)C1 ZINC000969864383 682279367 /nfs/dbraw/zinc/27/93/67/682279367.db2.gz BRCNJHUMBKVIBO-BMGDILEWSA-N 1 2 364.873 2.332 20 30 FEEDLO C#CCCCOc1ccc[nH+]c1NC[C@@H]1CCC[C@H]1NS(C)(=O)=O ZINC000853442959 682414172 /nfs/dbraw/zinc/41/41/72/682414172.db2.gz PRDOERMCTSYYGG-LSDHHAIUSA-N 1 2 351.472 2.004 20 30 FEEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3ccc(Cl)s3)C2)C1 ZINC000972521189 682419007 /nfs/dbraw/zinc/41/90/07/682419007.db2.gz YGQDARQABCOORN-HBUWYVDXSA-N 1 2 364.898 2.442 20 30 FEEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3ccc(Cl)s3)C2)C1 ZINC000972521189 682419009 /nfs/dbraw/zinc/41/90/09/682419009.db2.gz YGQDARQABCOORN-HBUWYVDXSA-N 1 2 364.898 2.442 20 30 FEEDLO C=CCN1CC[C@@H]([N@H+]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C(C)C)C1=O ZINC000859480780 683116739 /nfs/dbraw/zinc/11/67/39/683116739.db2.gz OVIRFRFIIVPVCC-HZPDHXFCSA-N 1 2 351.491 2.351 20 30 FEEDLO C=CCN1CC[C@@H]([N@@H+]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C(C)C)C1=O ZINC000859480780 683116741 /nfs/dbraw/zinc/11/67/41/683116741.db2.gz OVIRFRFIIVPVCC-HZPDHXFCSA-N 1 2 351.491 2.351 20 30 FEEDLO C#CC1(O)CC[NH+](Cc2nc3sc4c(c3c(N)n2)CC[C@H](C)C4)CC1 ZINC000931151218 683842473 /nfs/dbraw/zinc/84/24/73/683842473.db2.gz PCXPLPFJWQLWTF-LBPRGKRZSA-N 1 2 356.495 2.358 20 30 FEEDLO N#C[C@H](NC(=O)/C=C/C[NH+]1CCOCC1)c1cccc(C(F)(F)F)c1 ZINC000865658674 684011317 /nfs/dbraw/zinc/01/13/17/684011317.db2.gz WESRJSKEIJGJDQ-IJJSQOHJSA-N 1 2 353.344 2.275 20 30 FEEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCc2c(=O)[nH]n(C)c2C1 ZINC000931199057 684239741 /nfs/dbraw/zinc/23/97/41/684239741.db2.gz RXPRWTXWIWDNCP-CYBMUJFWSA-N 1 2 360.483 2.149 20 30 FEEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCc2c(=O)[nH]n(C)c2C1 ZINC000931199057 684239743 /nfs/dbraw/zinc/23/97/43/684239743.db2.gz RXPRWTXWIWDNCP-CYBMUJFWSA-N 1 2 360.483 2.149 20 30 FEEDLO CC(C)(C)OC(=O)C[NH+]1CCC(NC(=O)c2sccc2CC#N)CC1 ZINC000871541014 684827154 /nfs/dbraw/zinc/82/71/54/684827154.db2.gz FAZKWOOFHCHAHT-UHFFFAOYSA-N 1 2 363.483 2.350 20 30 FEEDLO Cc1ccc(S(=O)(=O)NCc2cc[nH+]c(N3CCCC3)c2)c(C#N)c1 ZINC000872432963 684947792 /nfs/dbraw/zinc/94/77/92/684947792.db2.gz JPFWRTBDQYZNRJ-UHFFFAOYSA-N 1 2 356.451 2.340 20 30 FEEDLO CN(C)S(=O)(=O)c1ccccc1C[NH2+]Cc1cc(C#N)cnc1Cl ZINC000876921912 686295784 /nfs/dbraw/zinc/29/57/84/686295784.db2.gz MMDXIGOJWVJLAU-UHFFFAOYSA-N 1 2 364.858 2.147 20 30 FEEDLO COC(=O)CCN(CC#N)Cc1c[nH+]c2c(C)cc(Br)cn12 ZINC000877710077 686442279 /nfs/dbraw/zinc/44/22/79/686442279.db2.gz DZJQUEZIQHRXDS-UHFFFAOYSA-N 1 2 365.231 2.294 20 30 FEEDLO COc1cc(OS(=O)(=O)c2cccc3c2CC[N@H+](C)C3)ccc1C#N ZINC000882131198 687309347 /nfs/dbraw/zinc/30/93/47/687309347.db2.gz AUXDIXMHQICKEV-UHFFFAOYSA-N 1 2 358.419 2.322 20 30 FEEDLO COc1cc(OS(=O)(=O)c2cccc3c2CC[N@@H+](C)C3)ccc1C#N ZINC000882131198 687309354 /nfs/dbraw/zinc/30/93/54/687309354.db2.gz AUXDIXMHQICKEV-UHFFFAOYSA-N 1 2 358.419 2.322 20 30 FEEDLO C=CCCc1ccc(S(=O)(=O)N2CCC([NH+]3CCOCC3)CC2)cc1 ZINC000882461696 687370527 /nfs/dbraw/zinc/37/05/27/687370527.db2.gz MOIBXLPMIZPILE-UHFFFAOYSA-N 1 2 364.511 2.291 20 30 FEEDLO C=CCS(=O)(=O)CC[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000883086175 687560231 /nfs/dbraw/zinc/56/02/31/687560231.db2.gz NMRRNDIAFOCVJS-UHFFFAOYSA-N 1 2 368.680 2.499 20 30 FEEDLO Oc1c(F)cc(Br)cc1C=NNC1=[NH+][C@H]2CCCC[C@@H]2N1 ZINC000884443015 687872228 /nfs/dbraw/zinc/87/22/28/687872228.db2.gz XOGYDOAZGNDTKM-RYUDHWBXSA-N 1 2 355.211 2.488 20 30 FEEDLO N#CC1(C[C@H](O)C[N@@H+]2CCOC[C@H]2C[C@@H](O)c2cccs2)CCC1 ZINC000886038438 688196327 /nfs/dbraw/zinc/19/63/27/688196327.db2.gz VOQJWHBTMZXTOU-OWCLPIDISA-N 1 2 350.484 2.317 20 30 FEEDLO N#CC1(C[C@H](O)C[N@H+]2CCOC[C@H]2C[C@@H](O)c2cccs2)CCC1 ZINC000886038438 688196333 /nfs/dbraw/zinc/19/63/33/688196333.db2.gz VOQJWHBTMZXTOU-OWCLPIDISA-N 1 2 350.484 2.317 20 30 FEEDLO N#Cc1csc(CNC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)n1 ZINC000891740179 689099955 /nfs/dbraw/zinc/09/99/55/689099955.db2.gz QYKFBTKYSZKBES-UHFFFAOYSA-N 1 2 356.455 2.399 20 30 FEEDLO NC(=O)[C@H]([NH2+]CC#C[C@@H]1CCCCO1)c1cccc(Br)c1 ZINC000901704381 690681941 /nfs/dbraw/zinc/68/19/41/690681941.db2.gz SMZVGMQAPAXNQJ-LSDHHAIUSA-N 1 2 351.244 2.138 20 30 FEEDLO C=CCOC(=O)[C@@H]([NH3+])Cc1nc(-c2ccc(C(F)(F)F)c(F)c2)no1 ZINC000904084470 691001489 /nfs/dbraw/zinc/00/14/89/691001489.db2.gz AWUWGLBVAZPLOG-NSHDSACASA-N 1 2 359.279 2.494 20 30 FEEDLO N#Cc1c(Cl)nccc1C(F)(F)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001165035967 721902405 /nfs/dbraw/zinc/90/24/05/721902405.db2.gz FPZQLNCNJLRYCN-LBPRGKRZSA-N 1 2 356.804 2.453 20 30 FEEDLO N#Cc1cc(Cl)nc(C(F)(F)N2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC001165036266 721910921 /nfs/dbraw/zinc/91/09/21/721910921.db2.gz AEVSJEIVPJGFAP-CYBMUJFWSA-N 1 2 356.804 2.453 20 30 FEEDLO N#Cc1ccc(-n2ccc(NC(=O)[C@@H]3CCn4cc[nH+]c4C3)n2)c(F)c1 ZINC000515084974 816096121 /nfs/dbraw/zinc/09/61/21/816096121.db2.gz HATSTGIUWPUPJM-CYBMUJFWSA-N 1 2 350.357 2.281 20 30 FEEDLO Cc1nc(N(C)C)nc(NC2CCC(Oc3ccc(C#N)cn3)CC2)[nH+]1 ZINC000508368406 889365318 /nfs/dbraw/zinc/36/53/18/889365318.db2.gz BBGLJVGIBDKDJQ-UHFFFAOYSA-N 1 2 353.430 2.315 20 30 FEEDLO Cc1cc(N2CCN(CC(=O)N[C@](C)(C#N)C(C)C)CC2)nc(C(C)C)[nH+]1 ZINC000027545087 539809312 /nfs/dbraw/zinc/80/93/12/539809312.db2.gz QVGOZKPIMBAKNA-HXUWFJFHSA-N 1 2 372.517 2.085 20 30 FEEDLO N#Cc1ccc(NC(=O)C[NH+]2CCC(C(=O)N3CCCC3)CC2)cc1Cl ZINC000029158765 539844389 /nfs/dbraw/zinc/84/43/89/539844389.db2.gz NZNRWPSTUFLRQO-UHFFFAOYSA-N 1 2 374.872 2.485 20 30 FEEDLO N#CCCN(C(=O)C[NH+]1CCN(c2cc(C#N)ccn2)CC1)c1ccccc1 ZINC000029443809 539853345 /nfs/dbraw/zinc/85/33/45/539853345.db2.gz FYNHBHIFWXLRGI-UHFFFAOYSA-N 1 2 374.448 2.022 20 30 FEEDLO C[C@H](C(=O)NCC1CCCCC1)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000029445059 539853368 /nfs/dbraw/zinc/85/33/68/539853368.db2.gz XGZMALNLKPYREN-MRXNPFEDSA-N 1 2 355.486 2.160 20 30 FEEDLO Cc1ccccc1CNC(=O)[C@H](C)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000029450036 539854437 /nfs/dbraw/zinc/85/44/37/539854437.db2.gz NGXSYTUMNFPXPY-KRWDZBQOSA-N 1 2 363.465 2.089 20 30 FEEDLO C[C@H](C(=O)N1CCC(C)CC1)[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000029244337 539847787 /nfs/dbraw/zinc/84/77/87/539847787.db2.gz FDICIIREFCFKPG-OAHLLOKOSA-N 1 2 371.485 2.193 20 30 FEEDLO C[C@@H](C(=O)N1CCC(C)CC1)[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000029244345 539848029 /nfs/dbraw/zinc/84/80/29/539848029.db2.gz FDICIIREFCFKPG-HNNXBMFYSA-N 1 2 371.485 2.193 20 30 FEEDLO C=CCOc1ccccc1C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000030309696 539878898 /nfs/dbraw/zinc/87/88/98/539878898.db2.gz AEHRTHIWXGHVQN-UHFFFAOYSA-N 1 2 353.422 2.413 20 30 FEEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)[C@@H]2CCc3cc(C)ccc3O2)c1C#N ZINC000530372001 539953963 /nfs/dbraw/zinc/95/39/63/539953963.db2.gz GBGUVQBLXFZZSC-KRWDZBQOSA-N 1 2 353.426 2.074 20 30 FEEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)c2cc(F)ccc2-n2cccn2)c1C#N ZINC000530529674 539993591 /nfs/dbraw/zinc/99/35/91/539993591.db2.gz CTFOKOLAEXJURG-UHFFFAOYSA-N 1 2 367.388 2.010 20 30 FEEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000042133572 540052855 /nfs/dbraw/zinc/05/28/55/540052855.db2.gz QEVHOJGRWDDOCT-INIZCTEOSA-N 1 2 356.445 2.408 20 30 FEEDLO Cc1cnc2c(cccc2S(=O)(=O)N2CC[NH+](CCCC#N)CC2)c1 ZINC000045915696 540233957 /nfs/dbraw/zinc/23/39/57/540233957.db2.gz QEQWRCCGKZQKLK-UHFFFAOYSA-N 1 2 358.467 2.153 20 30 FEEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1Cc2c(OC)ccc(OC)c2[C@H](O)C1 ZINC000046515099 540260444 /nfs/dbraw/zinc/26/04/44/540260444.db2.gz WYBXSIRRLYQXSU-GOEBONIOSA-N 1 2 362.470 2.366 20 30 FEEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1Cc2c(OC)ccc(OC)c2[C@H](O)C1 ZINC000046515099 540260447 /nfs/dbraw/zinc/26/04/47/540260447.db2.gz WYBXSIRRLYQXSU-GOEBONIOSA-N 1 2 362.470 2.366 20 30 FEEDLO N#Cc1ccc(CNC(=O)NC[C@H](c2cccs2)[NH+]2CCOCC2)cc1 ZINC000047740691 540326141 /nfs/dbraw/zinc/32/61/41/540326141.db2.gz CTVXQXPMXWUTJA-QGZVFWFLSA-N 1 2 370.478 2.492 20 30 FEEDLO N#Cc1cc(NC(=O)C(=O)NCc2cn3ccccc3[nH+]2)ccc1Cl ZINC000048940912 540377421 /nfs/dbraw/zinc/37/74/21/540377421.db2.gz KJSOHIBGYNOPCW-UHFFFAOYSA-N 1 2 353.769 2.114 20 30 FEEDLO C[C@@H]1CCC[C@H](C)N1C(=O)CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000049971021 540395572 /nfs/dbraw/zinc/39/55/72/540395572.db2.gz HCFRXAFCMRVGHK-HDICACEKSA-N 1 2 354.498 2.465 20 30 FEEDLO C[C@@H]1CCC[C@H](C)N1C(=O)C[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000049971021 540395573 /nfs/dbraw/zinc/39/55/73/540395573.db2.gz HCFRXAFCMRVGHK-HDICACEKSA-N 1 2 354.498 2.465 20 30 FEEDLO CC(=O)N1CCC[N@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)CC1 ZINC000051154470 540424873 /nfs/dbraw/zinc/42/48/73/540424873.db2.gz KHBZTBYKYIJDJQ-UHFFFAOYSA-N 1 2 356.470 2.104 20 30 FEEDLO CC(=O)N1CCC[N@@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)CC1 ZINC000051154470 540424874 /nfs/dbraw/zinc/42/48/74/540424874.db2.gz KHBZTBYKYIJDJQ-UHFFFAOYSA-N 1 2 356.470 2.104 20 30 FEEDLO Cc1n[nH]c(C)c1NC(=O)C[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000051852132 540446452 /nfs/dbraw/zinc/44/64/52/540446452.db2.gz IJAQNKXNYQQISW-UHFFFAOYSA-N 1 2 352.442 2.049 20 30 FEEDLO Cc1n[nH]c(C)c1NC(=O)C[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000051852132 540446456 /nfs/dbraw/zinc/44/64/56/540446456.db2.gz IJAQNKXNYQQISW-UHFFFAOYSA-N 1 2 352.442 2.049 20 30 FEEDLO CN(CC(F)(F)F)C(=O)C[N@@H+]1CCCN(c2ccc(C#N)cc2)CC1 ZINC000052800788 540489757 /nfs/dbraw/zinc/48/97/57/540489757.db2.gz FLHQTIDCOHGIPL-UHFFFAOYSA-N 1 2 354.376 2.091 20 30 FEEDLO CN(CC(F)(F)F)C(=O)C[N@H+]1CCCN(c2ccc(C#N)cc2)CC1 ZINC000052800788 540489761 /nfs/dbraw/zinc/48/97/61/540489761.db2.gz FLHQTIDCOHGIPL-UHFFFAOYSA-N 1 2 354.376 2.091 20 30 FEEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+]2CCC[C@H](O)C2)c1C#N ZINC000054582812 540596662 /nfs/dbraw/zinc/59/66/62/540596662.db2.gz ZJDDBNYKAMXAQP-KRWDZBQOSA-N 1 2 352.438 2.361 20 30 FEEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+]2CCC[C@H](O)C2)c1C#N ZINC000054582812 540596667 /nfs/dbraw/zinc/59/66/67/540596667.db2.gz ZJDDBNYKAMXAQP-KRWDZBQOSA-N 1 2 352.438 2.361 20 30 FEEDLO COc1cccc(N2CC[NH+](CC(=O)Nc3cccc(C#N)c3)CC2)c1 ZINC000057450633 540797679 /nfs/dbraw/zinc/79/76/79/540797679.db2.gz RAFKUEVTFOXJOK-UHFFFAOYSA-N 1 2 350.422 2.328 20 30 FEEDLO C=CCc1ccc(OC[C@@H](O)C[NH+]2CCN(CC(F)F)CC2)c(OC)c1 ZINC000057910440 540823431 /nfs/dbraw/zinc/82/34/31/540823431.db2.gz UAHZZFVLTRVRDP-INIZCTEOSA-N 1 2 370.440 2.046 20 30 FEEDLO C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)CNc2ccc(C#N)cn2)CC1 ZINC000538272223 540835396 /nfs/dbraw/zinc/83/53/96/540835396.db2.gz DADHHTUCMSPMMS-OAHLLOKOSA-N 1 2 367.428 2.410 20 30 FEEDLO N#Cc1ccccc1N1CCCN(C(=O)c2ccnc(-n3cc[nH+]c3)c2)CC1 ZINC000058275558 540838033 /nfs/dbraw/zinc/83/80/33/540838033.db2.gz XLICSROUHGHMDH-UHFFFAOYSA-N 1 2 372.432 2.491 20 30 FEEDLO CCC(=O)N[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2SCC#N)C1 ZINC000109802598 209313971 /nfs/dbraw/zinc/31/39/71/209313971.db2.gz UGPASLTZXAGTNT-AWEZNQCLSA-N 1 2 360.483 2.231 20 30 FEEDLO CCC(=O)N[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2SCC#N)C1 ZINC000109802598 209313974 /nfs/dbraw/zinc/31/39/74/209313974.db2.gz UGPASLTZXAGTNT-AWEZNQCLSA-N 1 2 360.483 2.231 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1cccc(C(F)(F)F)c1 ZINC000060633906 541120037 /nfs/dbraw/zinc/12/00/37/541120037.db2.gz XIZKBWXMLBSVLZ-UHFFFAOYSA-N 1 2 355.360 2.393 20 30 FEEDLO N#Cc1cccc(NC(=O)C(=O)NCc2ccccc2Cn2cc[nH+]c2)c1 ZINC000062000444 541143029 /nfs/dbraw/zinc/14/30/29/541143029.db2.gz DUFLPIUTTCPIFI-UHFFFAOYSA-N 1 2 359.389 2.058 20 30 FEEDLO C#Cc1cccc(NC(=O)CNC(=O)[C@@H]2CCCN(c3cccc[nH+]3)C2)c1 ZINC000065498134 541241459 /nfs/dbraw/zinc/24/14/59/541241459.db2.gz KFAZLTBNAAYKSG-QGZVFWFLSA-N 1 2 362.433 2.034 20 30 FEEDLO C=CC[N@@H+](CCC(=O)Nc1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000067400069 541457131 /nfs/dbraw/zinc/45/71/31/541457131.db2.gz BGEXPXFNLICFKS-HNNXBMFYSA-N 1 2 356.875 2.344 20 30 FEEDLO C=CC[N@H+](CCC(=O)Nc1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000067400069 541457134 /nfs/dbraw/zinc/45/71/34/541457134.db2.gz BGEXPXFNLICFKS-HNNXBMFYSA-N 1 2 356.875 2.344 20 30 FEEDLO N#CCNC(=O)C[N@@H+]1CCc2c(cccc2NC(=O)Nc2ccccc2)C1 ZINC000068860277 541635352 /nfs/dbraw/zinc/63/53/52/541635352.db2.gz IRMCCPFTUGAIKK-UHFFFAOYSA-N 1 2 363.421 2.328 20 30 FEEDLO N#CCNC(=O)C[N@H+]1CCc2c(cccc2NC(=O)Nc2ccccc2)C1 ZINC000068860277 541635353 /nfs/dbraw/zinc/63/53/53/541635353.db2.gz IRMCCPFTUGAIKK-UHFFFAOYSA-N 1 2 363.421 2.328 20 30 FEEDLO N#CCCCCS(=O)(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000068875320 541636034 /nfs/dbraw/zinc/63/60/34/541636034.db2.gz KBHRGRAVSDHJOY-UHFFFAOYSA-N 1 2 353.463 2.357 20 30 FEEDLO N#CCCCCS(=O)(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000068875320 541636036 /nfs/dbraw/zinc/63/60/36/541636036.db2.gz KBHRGRAVSDHJOY-UHFFFAOYSA-N 1 2 353.463 2.357 20 30 FEEDLO C=CCn1c(=O)c2ccc(C(=O)NC[C@H](C)[N@H+](C)C3CC3)cc2[nH]c1=S ZINC000069534135 541695091 /nfs/dbraw/zinc/69/50/91/541695091.db2.gz YLYPJGBBMQFCOC-LBPRGKRZSA-N 1 2 372.494 2.084 20 30 FEEDLO C=CCn1c(=O)c2ccc(C(=O)NC[C@H](C)[N@@H+](C)C3CC3)cc2[nH]c1=S ZINC000069534135 541695094 /nfs/dbraw/zinc/69/50/94/541695094.db2.gz YLYPJGBBMQFCOC-LBPRGKRZSA-N 1 2 372.494 2.084 20 30 FEEDLO Cc1cccn2cc(CN3C(=O)N[C@](C)(c4ccc(C#N)cc4)C3=O)[nH+]c12 ZINC000073415406 541951322 /nfs/dbraw/zinc/95/13/22/541951322.db2.gz UXYQQSCCRIRILC-HXUWFJFHSA-N 1 2 359.389 2.482 20 30 FEEDLO CC(=O)N1CCC[N@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)CC1 ZINC000010208541 207003403 /nfs/dbraw/zinc/00/34/03/207003403.db2.gz GPCQWBFYGMLEJO-UHFFFAOYSA-N 1 2 362.861 2.141 20 30 FEEDLO CC(=O)N1CCC[N@@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)CC1 ZINC000010208541 207003407 /nfs/dbraw/zinc/00/34/07/207003407.db2.gz GPCQWBFYGMLEJO-UHFFFAOYSA-N 1 2 362.861 2.141 20 30 FEEDLO CCOc1ccc(C[NH+]2CCN(CC(=O)N(CC)C[C@@H](C)C#N)CC2)cc1 ZINC000076803723 542322890 /nfs/dbraw/zinc/32/28/90/542322890.db2.gz FSSPBMYNLDARTE-SFHVURJKSA-N 1 2 372.513 2.211 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3Cc4cc(F)ccc4O3)CC2)cc1 ZINC000076941230 542331340 /nfs/dbraw/zinc/33/13/40/542331340.db2.gz BNSZQGJWNJSABS-FQEVSTJZSA-N 1 2 365.408 2.345 20 30 FEEDLO COc1cc(C#N)ccc1OCC[NH+]1CCN(Cc2cscn2)CC1 ZINC000077269621 542360553 /nfs/dbraw/zinc/36/05/53/542360553.db2.gz LNUHYCGICYIPCS-UHFFFAOYSA-N 1 2 358.467 2.220 20 30 FEEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+](C)CC(=O)NC(C)(C)C ZINC000042506373 208293759 /nfs/dbraw/zinc/29/37/59/208293759.db2.gz AWELLHQQKKTTRB-AWEZNQCLSA-N 1 2 362.449 2.307 20 30 FEEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+](C)CC(=O)NC(C)(C)C ZINC000042506373 208293763 /nfs/dbraw/zinc/29/37/63/208293763.db2.gz AWELLHQQKKTTRB-AWEZNQCLSA-N 1 2 362.449 2.307 20 30 FEEDLO COc1ccc(C[NH+]2CCN(C[C@@H](C#N)CCC#N)CC2)c(OC)c1OC ZINC000078301362 542453164 /nfs/dbraw/zinc/45/31/64/542453164.db2.gz HVTZXOXNDBSSHM-MRXNPFEDSA-N 1 2 372.469 2.274 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Nc1ccc2c(c1)CCCO2 ZINC000078539615 542466064 /nfs/dbraw/zinc/46/60/64/542466064.db2.gz NOOJILGKUIUZQT-UHFFFAOYSA-N 1 2 358.442 2.091 20 30 FEEDLO O=C(C#Cc1ccccc1)N(CCC[NH+]1CCOCC1)Cc1ccncc1 ZINC000080641246 542599036 /nfs/dbraw/zinc/59/90/36/542599036.db2.gz YUWQZSZFLKTBQH-UHFFFAOYSA-N 1 2 363.461 2.184 20 30 FEEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC([C@H](O)c2nccn2C)CC1 ZINC000089925204 542773733 /nfs/dbraw/zinc/77/37/33/542773733.db2.gz WYGRRDSRGRAULM-KSSFIOAISA-N 1 2 367.453 2.064 20 30 FEEDLO C=CCc1cc(C[NH+]2CCN(Cc3noc(CC)n3)CC2)cc(OC)c1O ZINC000093283595 542924016 /nfs/dbraw/zinc/92/40/16/542924016.db2.gz ZWCZWHMJQPJQOT-UHFFFAOYSA-N 1 2 372.469 2.393 20 30 FEEDLO C=CCNC(=O)CN1CC[NH+](CCOc2ccc(C(F)(F)F)cc2)CC1 ZINC000107298035 543265810 /nfs/dbraw/zinc/26/58/10/543265810.db2.gz NYRYHBMYOQNHBE-UHFFFAOYSA-N 1 2 371.403 2.004 20 30 FEEDLO C=CCCO[C@H](C)C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000109234912 543318584 /nfs/dbraw/zinc/31/85/84/543318584.db2.gz VHLUZQLIGZLDEW-MRXNPFEDSA-N 1 2 359.470 2.187 20 30 FEEDLO N#CCCN(C(=O)C[N@H+]1CCC[C@H]1[C@H](O)C(F)(F)F)c1ccccc1 ZINC000109757615 543337477 /nfs/dbraw/zinc/33/74/77/543337477.db2.gz UUJORXGOHAUCQZ-HOCLYGCPSA-N 1 2 355.360 2.321 20 30 FEEDLO N#CCCN(C(=O)C[N@@H+]1CCC[C@H]1[C@H](O)C(F)(F)F)c1ccccc1 ZINC000109757615 543337480 /nfs/dbraw/zinc/33/74/80/543337480.db2.gz UUJORXGOHAUCQZ-HOCLYGCPSA-N 1 2 355.360 2.321 20 30 FEEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000111770676 543415085 /nfs/dbraw/zinc/41/50/85/543415085.db2.gz DBZGRSJXDYBYFS-QGZVFWFLSA-N 1 2 364.449 2.324 20 30 FEEDLO N#CCCN(C(=O)C[N@@H+]1CCC[C@H]1C(=O)NC1CC1)c1cccc(Cl)c1 ZINC000113505228 543489192 /nfs/dbraw/zinc/48/91/92/543489192.db2.gz ZFQLFDHCVBYVCN-KRWDZBQOSA-N 1 2 374.872 2.330 20 30 FEEDLO N#CCCN(C(=O)C[N@H+]1CCC[C@H]1C(=O)NC1CC1)c1cccc(Cl)c1 ZINC000113505228 543489194 /nfs/dbraw/zinc/48/91/94/543489194.db2.gz ZFQLFDHCVBYVCN-KRWDZBQOSA-N 1 2 374.872 2.330 20 30 FEEDLO C=CC[NH+](CC=C)CC(=O)Nc1cccc(C(=O)N2CCSCC2)c1 ZINC000114723637 543533041 /nfs/dbraw/zinc/53/30/41/543533041.db2.gz JOZFKFVBCNHSFN-UHFFFAOYSA-N 1 2 359.495 2.488 20 30 FEEDLO Cc1ccc(C#N)cc1S(=O)(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000114740994 543534698 /nfs/dbraw/zinc/53/46/98/543534698.db2.gz IYHQOOMHQDYHOU-UHFFFAOYSA-N 1 2 358.467 2.471 20 30 FEEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000117350653 543629609 /nfs/dbraw/zinc/62/96/09/543629609.db2.gz ULNPOQLDSPEDEI-QMMMGPOBSA-N 1 2 361.286 2.203 20 30 FEEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000117350653 543629612 /nfs/dbraw/zinc/62/96/12/543629612.db2.gz ULNPOQLDSPEDEI-QMMMGPOBSA-N 1 2 361.286 2.203 20 30 FEEDLO C=CCN(C)C(=O)C(=O)Nc1cccc(C[N@H+](C)Cc2cscn2)c1 ZINC000121555215 543696458 /nfs/dbraw/zinc/69/64/58/543696458.db2.gz OKGUATLWNMFOSM-UHFFFAOYSA-N 1 2 358.467 2.358 20 30 FEEDLO C=CCN(C)C(=O)C(=O)Nc1cccc(C[N@@H+](C)Cc2cscn2)c1 ZINC000121555215 543696461 /nfs/dbraw/zinc/69/64/61/543696461.db2.gz OKGUATLWNMFOSM-UHFFFAOYSA-N 1 2 358.467 2.358 20 30 FEEDLO C=CC[N@@H+](C)CC(=O)Nc1ccc(C)c(S(=O)(=O)N(CC)CC)c1 ZINC000121591600 543697230 /nfs/dbraw/zinc/69/72/30/543697230.db2.gz CSNRQPTWDOGONC-UHFFFAOYSA-N 1 2 353.488 2.082 20 30 FEEDLO C=CC[N@H+](C)CC(=O)Nc1ccc(C)c(S(=O)(=O)N(CC)CC)c1 ZINC000121591600 543697232 /nfs/dbraw/zinc/69/72/32/543697232.db2.gz CSNRQPTWDOGONC-UHFFFAOYSA-N 1 2 353.488 2.082 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+](C)C2(C(N)=O)CCCC2)c1 ZINC000120086743 543675296 /nfs/dbraw/zinc/67/52/96/543675296.db2.gz OBFBLMRCARHYBT-UHFFFAOYSA-N 1 2 356.470 2.280 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](C)C2(C(N)=O)CCCC2)c1 ZINC000120086743 543675297 /nfs/dbraw/zinc/67/52/97/543675297.db2.gz OBFBLMRCARHYBT-UHFFFAOYSA-N 1 2 356.470 2.280 20 30 FEEDLO C[N@@H+]1CC[C@H](NS(=O)(=O)CCCCC#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000122035710 543702814 /nfs/dbraw/zinc/70/28/14/543702814.db2.gz QXHNYWVNLUMBKK-HOTGVXAUSA-N 1 2 357.426 2.323 20 30 FEEDLO C[N@H+]1CC[C@H](NS(=O)(=O)CCCCC#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000122035710 543702818 /nfs/dbraw/zinc/70/28/18/543702818.db2.gz QXHNYWVNLUMBKK-HOTGVXAUSA-N 1 2 357.426 2.323 20 30 FEEDLO C=CCNC(=O)C[NH+]1CCN(Cc2ccc(F)cc2C(F)(F)F)CC1 ZINC000122257055 543705033 /nfs/dbraw/zinc/70/50/33/543705033.db2.gz FKLWTSRUIJTGHM-UHFFFAOYSA-N 1 2 359.367 2.264 20 30 FEEDLO N#Cc1ccc(C(=O)NCc2ccccc2OCC[NH+]2CCOCC2)cc1 ZINC000124738998 543839833 /nfs/dbraw/zinc/83/98/33/543839833.db2.gz SPQNBISSRFKHDK-UHFFFAOYSA-N 1 2 365.433 2.199 20 30 FEEDLO CC(=O)NC1CC[NH+](CC(=O)c2cn(CCC#N)c3ccccc23)CC1 ZINC000125141288 543863640 /nfs/dbraw/zinc/86/36/40/543863640.db2.gz LSZHBRPIFNRMAI-UHFFFAOYSA-N 1 2 352.438 2.338 20 30 FEEDLO N#Cc1ccc(Cl)cc1NC(=O)CN1CC[NH+](Cc2cccnc2)CC1 ZINC000125178342 543865666 /nfs/dbraw/zinc/86/56/66/543865666.db2.gz OAUUOLFEOMWLGT-UHFFFAOYSA-N 1 2 369.856 2.363 20 30 FEEDLO C=C[C@@H](CC(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1)c1ccccc1 ZINC000126850124 543959692 /nfs/dbraw/zinc/95/96/92/543959692.db2.gz ZMLCDLNFILPPBP-IRXDYDNUSA-N 1 2 355.482 2.158 20 30 FEEDLO Cc1cc(N2CCN(c3nccnc3C#N)C[C@@H]2C)nc(-c2ccncc2)[nH+]1 ZINC000130025331 544135731 /nfs/dbraw/zinc/13/57/31/544135731.db2.gz CPSFLTKGMNKJSI-HNNXBMFYSA-N 1 2 372.436 2.224 20 30 FEEDLO C=C[C@@H](C)NC(=O)C(=O)Nc1cccc(C[N@H+](C)Cc2cscn2)c1 ZINC000133783903 544283411 /nfs/dbraw/zinc/28/34/11/544283411.db2.gz QPVCIFNIIBYKLV-CYBMUJFWSA-N 1 2 358.467 2.404 20 30 FEEDLO C=C[C@@H](C)NC(=O)C(=O)Nc1cccc(C[N@@H+](C)Cc2cscn2)c1 ZINC000133783903 544283412 /nfs/dbraw/zinc/28/34/12/544283412.db2.gz QPVCIFNIIBYKLV-CYBMUJFWSA-N 1 2 358.467 2.404 20 30 FEEDLO COCCC[N@H+](CC#Cc1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000135186065 544337641 /nfs/dbraw/zinc/33/76/41/544337641.db2.gz OLNZHUPUZHIDLH-MRXNPFEDSA-N 1 2 355.887 2.217 20 30 FEEDLO COCCC[N@@H+](CC#Cc1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000135186065 544337642 /nfs/dbraw/zinc/33/76/42/544337642.db2.gz OLNZHUPUZHIDLH-MRXNPFEDSA-N 1 2 355.887 2.217 20 30 FEEDLO Cn1ncc2c1CCC[C@@H]2[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000135584773 544354299 /nfs/dbraw/zinc/35/42/99/544354299.db2.gz WIXSIXOEHYINLZ-KRWDZBQOSA-N 1 2 358.467 2.075 20 30 FEEDLO Cn1ncc2c1CCC[C@@H]2[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000135584773 544354301 /nfs/dbraw/zinc/35/43/01/544354301.db2.gz WIXSIXOEHYINLZ-KRWDZBQOSA-N 1 2 358.467 2.075 20 30 FEEDLO C=CC[N@@H+](CCC(=O)Nc1ccccc1OCC)[C@H]1CCS(=O)(=O)C1 ZINC000137279909 544388304 /nfs/dbraw/zinc/38/83/04/544388304.db2.gz QBQMGSLIFHAQFH-HNNXBMFYSA-N 1 2 366.483 2.089 20 30 FEEDLO C=CC[N@H+](CCC(=O)Nc1ccccc1OCC)[C@H]1CCS(=O)(=O)C1 ZINC000137279909 544388307 /nfs/dbraw/zinc/38/83/07/544388307.db2.gz QBQMGSLIFHAQFH-HNNXBMFYSA-N 1 2 366.483 2.089 20 30 FEEDLO CCOC(=O)c1cnc(N2CC[NH+](CC#Cc3ccccc3)CC2)s1 ZINC000146055434 544437307 /nfs/dbraw/zinc/43/73/07/544437307.db2.gz HBOSEXRIQCYJGJ-UHFFFAOYSA-N 1 2 355.463 2.494 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000152168139 544621373 /nfs/dbraw/zinc/62/13/73/544621373.db2.gz AFRBAQNFTICGJY-FRIZHTMISA-N 1 2 358.490 2.304 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000152168139 544621378 /nfs/dbraw/zinc/62/13/78/544621378.db2.gz AFRBAQNFTICGJY-FRIZHTMISA-N 1 2 358.490 2.304 20 30 FEEDLO CC(C)N(C)C(=O)C[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000153900713 544838061 /nfs/dbraw/zinc/83/80/61/544838061.db2.gz HSKOWODYPJGBPE-UHFFFAOYSA-N 1 2 351.454 2.095 20 30 FEEDLO N#Cc1cccc(NCC(=O)Nc2ccccc2C[NH+]2CCOCC2)c1 ZINC000154054050 544858752 /nfs/dbraw/zinc/85/87/52/544858752.db2.gz BOOBZPSBFBQVEL-UHFFFAOYSA-N 1 2 350.422 2.441 20 30 FEEDLO C=C(C)CN(CC)C(=O)C[NH+]1CCN(C(=O)Cc2ccccc2C)CC1 ZINC000155143284 544994555 /nfs/dbraw/zinc/99/45/55/544994555.db2.gz HJYWQTPOISKEHV-UHFFFAOYSA-N 1 2 357.498 2.106 20 30 FEEDLO C#CCCCCNC(=O)N1CC[NH+](Cc2cc(OC)cc(OC)c2)CC1 ZINC000154892774 544963502 /nfs/dbraw/zinc/96/35/02/544963502.db2.gz RBXKTCSOZOEEES-UHFFFAOYSA-N 1 2 359.470 2.335 20 30 FEEDLO CO[C@@H]1CC[C@@H]2OCC[N@@H+]([C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)[C@@H]2C1 ZINC000192707465 328334300 /nfs/dbraw/zinc/33/43/00/328334300.db2.gz KKHOSXYXWAJQQX-WTGUMLROSA-N 1 2 369.465 2.322 20 30 FEEDLO CO[C@@H]1CC[C@@H]2OCC[N@H+]([C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)[C@@H]2C1 ZINC000192707465 328334302 /nfs/dbraw/zinc/33/43/02/328334302.db2.gz KKHOSXYXWAJQQX-WTGUMLROSA-N 1 2 369.465 2.322 20 30 FEEDLO Cc1noc(C)c1CCC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000028642850 324441552 /nfs/dbraw/zinc/44/15/52/324441552.db2.gz AFMWPPSXMQEJOO-UHFFFAOYSA-N 1 2 352.438 2.440 20 30 FEEDLO CC[C@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000029445025 324447518 /nfs/dbraw/zinc/44/75/18/324447518.db2.gz XXNVZGDMHOOGQJ-WMZOPIPTSA-N 1 2 355.486 2.255 20 30 FEEDLO CCCCNC(=O)C[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000195415727 328476248 /nfs/dbraw/zinc/47/62/48/328476248.db2.gz WLQWMJSVKBYKQG-UHFFFAOYSA-N 1 2 351.454 2.145 20 30 FEEDLO COc1cc(C#N)ccc1OC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000078062747 325029929 /nfs/dbraw/zinc/02/99/29/325029929.db2.gz MZIUXISBAZGMOX-IBGZPJMESA-N 1 2 352.390 2.373 20 30 FEEDLO COc1cc(C#N)ccc1OC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000078062747 325029934 /nfs/dbraw/zinc/02/99/34/325029934.db2.gz MZIUXISBAZGMOX-IBGZPJMESA-N 1 2 352.390 2.373 20 30 FEEDLO CSc1[nH]c(=O)c(C(=O)N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1C#N ZINC000097681003 325462924 /nfs/dbraw/zinc/46/29/24/325462924.db2.gz AYFFZFATCBJEKI-RWMBFGLXSA-N 1 2 362.499 2.477 20 30 FEEDLO Cc1oc(NC(=O)[C@@H](C)[NH+]2CCC(N3CCCC3=O)CC2)c(C#N)c1C ZINC000104728087 325543644 /nfs/dbraw/zinc/54/36/44/325543644.db2.gz SNANUWQDINEDIE-CYBMUJFWSA-N 1 2 358.442 2.182 20 30 FEEDLO Cc1cccc2[nH+]c(CN3C(=O)N[C@@](C)(c4cccc(C#N)c4)C3=O)cn21 ZINC000118176442 326085659 /nfs/dbraw/zinc/08/56/59/326085659.db2.gz XRPMTLLLQHHJSO-FQEVSTJZSA-N 1 2 359.389 2.482 20 30 FEEDLO N#Cc1cccc(S(=O)(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000120385472 326254326 /nfs/dbraw/zinc/25/43/26/326254326.db2.gz FIZWRDLXEIPPQZ-UHFFFAOYSA-N 1 2 357.435 2.191 20 30 FEEDLO Cn1cc[nH+]c1C[C@H]1CCCN(S(=O)(=O)Cc2cccc(C#N)c2)C1 ZINC000122093099 326383631 /nfs/dbraw/zinc/38/36/31/326383631.db2.gz SKFNSCYAEYJOIP-MRXNPFEDSA-N 1 2 358.467 2.076 20 30 FEEDLO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)c2ccc(C#N)cc2C)CC1 ZINC000123274292 326426171 /nfs/dbraw/zinc/42/61/71/326426171.db2.gz XVSSOSLTEPXDQN-UHFFFAOYSA-N 1 2 351.454 2.175 20 30 FEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[NH+]1CCC(OC[C@@H]2CCOC2)CC1 ZINC000131792424 326582010 /nfs/dbraw/zinc/58/20/10/326582010.db2.gz XCSNBRKQMNEREX-APWZRJJASA-N 1 2 358.438 2.290 20 30 FEEDLO COc1ccccc1COC[C@H](O)C[NH+]1CC(Oc2ccc(C#N)cc2)C1 ZINC000158559471 326899861 /nfs/dbraw/zinc/89/98/61/326899861.db2.gz JIIMURWPWVFFLQ-GOSISDBHSA-N 1 2 368.433 2.208 20 30 FEEDLO COc1ccc(COC[C@@H](O)C[NH+]2CC(Oc3ccc(C#N)cc3)C2)cc1 ZINC000158584626 326900514 /nfs/dbraw/zinc/90/05/14/326900514.db2.gz QPVOFTHHPKVFLI-SFHVURJKSA-N 1 2 368.433 2.208 20 30 FEEDLO N#Cc1cc(F)ccc1S(=O)(=O)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000166116205 327080545 /nfs/dbraw/zinc/08/05/45/327080545.db2.gz TVWYSTHWCCIHSN-HNNXBMFYSA-N 1 2 360.414 2.040 20 30 FEEDLO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1nc2ccccc2c(=O)n1C ZINC000170727322 327095656 /nfs/dbraw/zinc/09/56/56/327095656.db2.gz ZOASLEPQJPSVCB-UHFFFAOYSA-N 1 2 362.433 2.454 20 30 FEEDLO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1nc2ccccc2c(=O)n1C ZINC000170727322 327095657 /nfs/dbraw/zinc/09/56/57/327095657.db2.gz ZOASLEPQJPSVCB-UHFFFAOYSA-N 1 2 362.433 2.454 20 30 FEEDLO C[C@@H](NC(=O)N(Cc1ccc(C#N)cc1)C1CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000171718432 327157555 /nfs/dbraw/zinc/15/75/55/327157555.db2.gz FTSKWPQCODLFPR-HZPDHXFCSA-N 1 2 356.470 2.341 20 30 FEEDLO N#Cc1cccc(NC(=O)CN(CC[NH+]2CCOCC2)c2ccccc2)c1 ZINC000174688261 327343591 /nfs/dbraw/zinc/34/35/91/327343591.db2.gz YMGPRKKHZTWTFY-UHFFFAOYSA-N 1 2 364.449 2.336 20 30 FEEDLO COc1cc(C#N)ccc1S(=O)(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000248638363 328731178 /nfs/dbraw/zinc/73/11/78/328731178.db2.gz LJDNHTZBJMOIAX-UKRRQHHQSA-N 1 2 360.439 2.035 20 30 FEEDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)COc2ccc(C#N)cc2)CC1 ZINC000265221210 329103920 /nfs/dbraw/zinc/10/39/20/329103920.db2.gz GKODCNYOSGIZHY-INIZCTEOSA-N 1 2 350.422 2.237 20 30 FEEDLO N#Cc1ccc(C(F)(F)F)nc1Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000265269358 329109113 /nfs/dbraw/zinc/10/91/13/329109113.db2.gz UOAZHFXFHPNBLU-UHFFFAOYSA-N 1 2 366.347 2.244 20 30 FEEDLO COc1cc(C#N)ccc1OCC[N@H+](C)Cc1ccc(S(C)(=O)=O)cc1 ZINC000265857449 329167149 /nfs/dbraw/zinc/16/71/49/329167149.db2.gz JHGYTIUTXKRTAI-UHFFFAOYSA-N 1 2 374.462 2.481 20 30 FEEDLO COc1cc(C#N)ccc1OCC[N@@H+](C)Cc1ccc(S(C)(=O)=O)cc1 ZINC000265857449 329167151 /nfs/dbraw/zinc/16/71/51/329167151.db2.gz JHGYTIUTXKRTAI-UHFFFAOYSA-N 1 2 374.462 2.481 20 30 FEEDLO CO[C@H](C)c1noc(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)n1 ZINC000266991311 329280762 /nfs/dbraw/zinc/28/07/62/329280762.db2.gz BGJBMTDEZZHJDN-CYBMUJFWSA-N 1 2 369.425 2.499 20 30 FEEDLO CC(C)COC1CC[NH+](CCS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000267097113 329291696 /nfs/dbraw/zinc/29/16/96/329291696.db2.gz RUWNFOUDOHYYKG-UHFFFAOYSA-N 1 2 350.484 2.469 20 30 FEEDLO C[C@H]1CCCCN1C(=O)C[NH+]1CCN(c2ccc(Cl)c(C#N)n2)CC1 ZINC000299686783 330198274 /nfs/dbraw/zinc/19/82/74/330198274.db2.gz XJSSJFXCTXCYSQ-AWEZNQCLSA-N 1 2 361.877 2.130 20 30 FEEDLO Cn1c(C#N)ccc1C(=O)N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000448624409 330279430 /nfs/dbraw/zinc/27/94/30/330279430.db2.gz YLTIPUVSUAXFDV-UHFFFAOYSA-N 1 2 372.856 2.387 20 30 FEEDLO N#Cc1ccc(NCC(=O)Nc2ccccc2OCCn2cc[nH+]c2)nc1 ZINC000497649012 538776061 /nfs/dbraw/zinc/77/60/61/538776061.db2.gz IJNIJDUVDVDXOP-UHFFFAOYSA-N 1 2 362.393 2.279 20 30 FEEDLO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCNC(=O)[C@H]1c1ccccc1 ZINC000156169578 545604210 /nfs/dbraw/zinc/60/42/10/545604210.db2.gz WOHMRGITMFXFNZ-MRXNPFEDSA-N 1 2 354.435 2.121 20 30 FEEDLO N#Cc1ccsc1NC(=O)CC[N@H+]1CCNC(=O)[C@H]1c1ccccc1 ZINC000156169578 545604212 /nfs/dbraw/zinc/60/42/12/545604212.db2.gz WOHMRGITMFXFNZ-MRXNPFEDSA-N 1 2 354.435 2.121 20 30 FEEDLO C[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)[C@@H](CCO)c1ccccc1 ZINC000156795469 545662613 /nfs/dbraw/zinc/66/26/13/545662613.db2.gz BUOAFISHQRCCDV-IBGZPJMESA-N 1 2 358.463 2.387 20 30 FEEDLO C[N@@H+](CCS(=O)(=O)c1cccc(C#N)c1)[C@@H](CCO)c1ccccc1 ZINC000156795469 545662617 /nfs/dbraw/zinc/66/26/17/545662617.db2.gz BUOAFISHQRCCDV-IBGZPJMESA-N 1 2 358.463 2.387 20 30 FEEDLO C=CCNC(=O)C[NH+]1CCN(c2ccnc3c(OCCC)cccc23)CC1 ZINC000478231377 561162624 /nfs/dbraw/zinc/16/26/24/561162624.db2.gz KNQYHYPNLNKKPH-UHFFFAOYSA-N 1 2 368.481 2.448 20 30 FEEDLO C=CCOc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1OC ZINC000161005383 546092358 /nfs/dbraw/zinc/09/23/58/546092358.db2.gz MWHBSPWBFACKEB-SFHVURJKSA-N 1 2 360.454 2.083 20 30 FEEDLO C=C(C)COc1cc(C[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)ccc1OC ZINC000161037595 546095359 /nfs/dbraw/zinc/09/53/59/546095359.db2.gz PIOWLRRJIZEMPJ-IBGZPJMESA-N 1 2 374.481 2.473 20 30 FEEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000161424848 546128001 /nfs/dbraw/zinc/12/80/01/546128001.db2.gz MKAMYESXDWQFMZ-JSGCOSHPSA-N 1 2 361.408 2.353 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000162596034 546139867 /nfs/dbraw/zinc/13/98/67/546139867.db2.gz MQKMXENNWZDBBR-WBVHZDCISA-N 1 2 363.408 2.143 20 30 FEEDLO C=CCNC(=O)NC(=O)C[N@@H+](Cc1cccc(C)c1)Cc1ccccn1 ZINC000174676085 546301874 /nfs/dbraw/zinc/30/18/74/546301874.db2.gz AZHZIAVWFHPGSJ-UHFFFAOYSA-N 1 2 352.438 2.404 20 30 FEEDLO C=CCNC(=O)NC(=O)C[N@H+](Cc1cccc(C)c1)Cc1ccccn1 ZINC000174676085 546301878 /nfs/dbraw/zinc/30/18/78/546301878.db2.gz AZHZIAVWFHPGSJ-UHFFFAOYSA-N 1 2 352.438 2.404 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@H]1C[C@@]12CCCc1ccccc12 ZINC000174686332 546302433 /nfs/dbraw/zinc/30/24/33/546302433.db2.gz OFDBCODNHPOBAW-IFMALSPDSA-N 1 2 367.493 2.355 20 30 FEEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000177078048 546541016 /nfs/dbraw/zinc/54/10/16/546541016.db2.gz LRYPUYQKQBAYGB-FUHWJXTLSA-N 1 2 365.437 2.190 20 30 FEEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000177078048 546541023 /nfs/dbraw/zinc/54/10/23/546541023.db2.gz LRYPUYQKQBAYGB-FUHWJXTLSA-N 1 2 365.437 2.190 20 30 FEEDLO C=CCOc1cccc(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000177538992 546640016 /nfs/dbraw/zinc/64/00/16/546640016.db2.gz LVEIXWCMCBRZBZ-UHFFFAOYSA-N 1 2 358.442 2.331 20 30 FEEDLO N#Cc1cccc(CNC(=O)CN2CCc3c([nH+]cn3-c3ccccc3)C2)c1 ZINC000481241708 561228875 /nfs/dbraw/zinc/22/88/75/561228875.db2.gz VLYKTILWGPQELG-UHFFFAOYSA-N 1 2 371.444 2.418 20 30 FEEDLO N#Cc1ccc(Oc2cccc(C(=O)N3CC[NH+](CCO)CC3)c2)cc1 ZINC000178046804 546729282 /nfs/dbraw/zinc/72/92/82/546729282.db2.gz ZSIHXPHWKOLNTE-UHFFFAOYSA-N 1 2 351.406 2.101 20 30 FEEDLO C=CCOC[C@@H](NC(=O)c1cccc(Oc2cc[nH+]cc2)c1)C(=O)OC ZINC000481762091 561241173 /nfs/dbraw/zinc/24/11/73/561241173.db2.gz AMFBAACQVQSBSK-QGZVFWFLSA-N 1 2 356.378 2.348 20 30 FEEDLO C=CCNC(=O)CNC(=O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000181638102 547349350 /nfs/dbraw/zinc/34/93/50/547349350.db2.gz GTKCSXXNJDFVLO-UHFFFAOYSA-N 1 2 351.450 2.107 20 30 FEEDLO C=C(C)CS(=O)(=O)N[C@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1 ZINC000184326223 547807450 /nfs/dbraw/zinc/80/74/50/547807450.db2.gz WAIGSLODOGKRQA-INIZCTEOSA-N 1 2 365.455 2.022 20 30 FEEDLO CCc1nc([C@@H](C)[NH2+]CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)cs1 ZINC000184722648 547871077 /nfs/dbraw/zinc/87/10/77/547871077.db2.gz QRPKHVUJNIZKJJ-GDBMZVCRSA-N 1 2 363.531 2.048 20 30 FEEDLO COc1cccc(-c2noc([C@H](C)[NH2+]CC(=O)N[C@](C)(C#N)C3CC3)n2)c1 ZINC000185120209 547935858 /nfs/dbraw/zinc/93/58/58/547935858.db2.gz SAHFOXMVONZXKG-HXPMCKFVSA-N 1 2 369.425 2.204 20 30 FEEDLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](C#N)c1ccccc1F ZINC000485854137 561329803 /nfs/dbraw/zinc/32/98/03/561329803.db2.gz VMMJSOVUCVVWHF-IAGOWNOFSA-N 1 2 371.416 2.003 20 30 FEEDLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](C#N)c1ccccc1F ZINC000485854137 561329804 /nfs/dbraw/zinc/32/98/04/561329804.db2.gz VMMJSOVUCVVWHF-IAGOWNOFSA-N 1 2 371.416 2.003 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCC(O)(c2c(F)cccc2F)CC1 ZINC000186499194 548144753 /nfs/dbraw/zinc/14/47/53/548144753.db2.gz LJKYWCMHPGPJPV-GOSISDBHSA-N 1 2 365.424 2.303 20 30 FEEDLO CNC(=O)c1ccc(CO[NH+]=C(N)c2ccc(N3CCCCC3)nc2)cc1 ZINC000187810683 548264193 /nfs/dbraw/zinc/26/41/93/548264193.db2.gz FQKHLFHKTCKHAA-UHFFFAOYSA-N 1 2 367.453 2.269 20 30 FEEDLO C=C(C)CS(=O)(=O)N[C@@H](CC)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000189728070 548309799 /nfs/dbraw/zinc/30/97/99/548309799.db2.gz FMRWVBRYGQZWSQ-ZWKOTPCHSA-N 1 2 352.500 2.162 20 30 FEEDLO C=C(C)CS(=O)(=O)N[C@@H](CC)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000189728070 548309803 /nfs/dbraw/zinc/30/98/03/548309803.db2.gz FMRWVBRYGQZWSQ-ZWKOTPCHSA-N 1 2 352.500 2.162 20 30 FEEDLO C[C@H]1CN(c2ccc(CNC(=O)Cc3ccc(C#N)cc3)c[nH+]2)CCO1 ZINC000194739954 548524289 /nfs/dbraw/zinc/52/42/89/548524289.db2.gz PVKOZFFFWFWUJD-HNNXBMFYSA-N 1 2 350.422 2.037 20 30 FEEDLO N#Cc1ccc(C(=O)NCc2ccccc2OCC[NH+]2CCOCC2)s1 ZINC000486885399 561358959 /nfs/dbraw/zinc/35/89/59/561358959.db2.gz NNIOVLGZWGESLW-UHFFFAOYSA-N 1 2 371.462 2.261 20 30 FEEDLO Cc1cc2ccccc2n1CC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000195166397 548588931 /nfs/dbraw/zinc/58/89/31/548588931.db2.gz WVGAZARSIQBQTD-UHFFFAOYSA-N 1 2 354.454 2.024 20 30 FEEDLO CCCN(CC(=O)Nc1ccccc1C)C(=O)C[NH+]1CCC(C#N)CC1 ZINC000195335593 548627842 /nfs/dbraw/zinc/62/78/42/548627842.db2.gz LIELNOBJBAEMFM-UHFFFAOYSA-N 1 2 356.470 2.408 20 30 FEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000245778930 548993550 /nfs/dbraw/zinc/99/35/50/548993550.db2.gz LXXGMNDSGURKJB-HQRMLTQVSA-N 1 2 367.449 2.248 20 30 FEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000245778930 548993553 /nfs/dbraw/zinc/99/35/53/548993553.db2.gz LXXGMNDSGURKJB-HQRMLTQVSA-N 1 2 367.449 2.248 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000488418808 561389662 /nfs/dbraw/zinc/38/96/62/561389662.db2.gz JWPUNDRHVBKSMP-IUODEOHRSA-N 1 2 359.396 2.320 20 30 FEEDLO CC[N@H+](CC(=O)Nc1cccc(OC)c1)[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000488725824 561395388 /nfs/dbraw/zinc/39/53/88/561395388.db2.gz NENNQQRLTKLFMV-MGPUTAFESA-N 1 2 374.485 2.399 20 30 FEEDLO CC[N@@H+](CC(=O)Nc1cccc(OC)c1)[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000488725824 561395389 /nfs/dbraw/zinc/39/53/89/561395389.db2.gz NENNQQRLTKLFMV-MGPUTAFESA-N 1 2 374.485 2.399 20 30 FEEDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N2CCO[C@@H](C#N)C2)C[C@H](C)O1 ZINC000247591250 549363592 /nfs/dbraw/zinc/36/35/92/549363592.db2.gz JQYYOWBGJOWMGL-UXLLHSPISA-N 1 2 358.442 2.052 20 30 FEEDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N2CCO[C@@H](C#N)C2)C[C@H](C)O1 ZINC000247591250 549363597 /nfs/dbraw/zinc/36/35/97/549363597.db2.gz JQYYOWBGJOWMGL-UXLLHSPISA-N 1 2 358.442 2.052 20 30 FEEDLO COC(=O)[C@@H]1CC[N@H+](Cc2ccccc2C(C)(C)C#N)[C@H](C(=O)OC)C1 ZINC000248604216 549467415 /nfs/dbraw/zinc/46/74/15/549467415.db2.gz VBLUCXCJBHIPEP-PBHICJAKSA-N 1 2 358.438 2.414 20 30 FEEDLO COC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2C(C)(C)C#N)[C@H](C(=O)OC)C1 ZINC000248604216 549467420 /nfs/dbraw/zinc/46/74/20/549467420.db2.gz VBLUCXCJBHIPEP-PBHICJAKSA-N 1 2 358.438 2.414 20 30 FEEDLO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000248875700 549518682 /nfs/dbraw/zinc/51/86/82/549518682.db2.gz VWTKJZHSLJHDQL-IEZWGBDMSA-N 1 2 355.438 2.207 20 30 FEEDLO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000248875700 549518687 /nfs/dbraw/zinc/51/86/87/549518687.db2.gz VWTKJZHSLJHDQL-IEZWGBDMSA-N 1 2 355.438 2.207 20 30 FEEDLO CC(C)N1C(=O)C[N@@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1(C)C ZINC000490091184 561426434 /nfs/dbraw/zinc/42/64/34/561426434.db2.gz VYWSPHBDZVXGKZ-SFHVURJKSA-N 1 2 368.481 2.385 20 30 FEEDLO CC(C)N1C(=O)C[N@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1(C)C ZINC000490091184 561426435 /nfs/dbraw/zinc/42/64/35/561426435.db2.gz VYWSPHBDZVXGKZ-SFHVURJKSA-N 1 2 368.481 2.385 20 30 FEEDLO COc1cc(C(N)=[NH+]OCc2nc(C3CC3)no2)cc(Cl)c1OC ZINC000265511970 550010556 /nfs/dbraw/zinc/01/05/56/550010556.db2.gz PPMZZMJRUAWFGL-UHFFFAOYSA-N 1 2 352.778 2.455 20 30 FEEDLO CCOCCOCc1cccc(CNC(=O)C[N@H+](CCC#N)CC2CC2)c1 ZINC000266936347 550025953 /nfs/dbraw/zinc/02/59/53/550025953.db2.gz PUEVXRSMAKJHFI-UHFFFAOYSA-N 1 2 373.497 2.482 20 30 FEEDLO CCOCCOCc1cccc(CNC(=O)C[N@@H+](CCC#N)CC2CC2)c1 ZINC000266936347 550025954 /nfs/dbraw/zinc/02/59/54/550025954.db2.gz PUEVXRSMAKJHFI-UHFFFAOYSA-N 1 2 373.497 2.482 20 30 FEEDLO C=CCOc1cccc(NC(=O)C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000267361280 550030105 /nfs/dbraw/zinc/03/01/05/550030105.db2.gz LBKBAPULGYKBME-AWEZNQCLSA-N 1 2 354.410 2.319 20 30 FEEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CC[C@](F)(C(=O)OC)C1 ZINC000267765006 550034762 /nfs/dbraw/zinc/03/47/62/550034762.db2.gz FYCIYGZKMMFISS-CXAGYDPISA-N 1 2 354.447 2.238 20 30 FEEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CC[C@](F)(C(=O)OC)C1 ZINC000267765006 550034763 /nfs/dbraw/zinc/03/47/63/550034763.db2.gz FYCIYGZKMMFISS-CXAGYDPISA-N 1 2 354.447 2.238 20 30 FEEDLO C[C@H]1CN(c2ccc(CNc3nccc(C#N)c3[N+](=O)[O-])c[nH+]2)CCO1 ZINC000268445219 550067219 /nfs/dbraw/zinc/06/72/19/550067219.db2.gz DTIGMYXBTVFDJB-LBPRGKRZSA-N 1 2 354.370 2.094 20 30 FEEDLO CCOCc1ccc(CNC(=O)CO[NH+]=C(N)[C@H](C)OCC(C)C)cc1 ZINC000268542046 550084926 /nfs/dbraw/zinc/08/49/26/550084926.db2.gz ABUYYROSRIZCDZ-HNNXBMFYSA-N 1 2 365.474 2.189 20 30 FEEDLO C[C@@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CCOCC1 ZINC000268581551 550090010 /nfs/dbraw/zinc/09/00/10/550090010.db2.gz RZGHUSMKHUOOJO-MRXNPFEDSA-N 1 2 356.470 2.201 20 30 FEEDLO COc1cc(C)[nH+]c(CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)c1 ZINC000271236266 550356665 /nfs/dbraw/zinc/35/66/65/550356665.db2.gz WUHDPAGKMVJOKT-LJQANCHMSA-N 1 2 350.378 2.238 20 30 FEEDLO C[C@@H](C(=O)c1c[nH]c2ncccc12)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000271315403 550364063 /nfs/dbraw/zinc/36/40/63/550364063.db2.gz SAIVOGWHDYXJGJ-AWEZNQCLSA-N 1 2 360.421 2.223 20 30 FEEDLO CC(C)(C)[C@@H]1CC[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C[C@@H]1O ZINC000272306339 550437093 /nfs/dbraw/zinc/43/70/93/550437093.db2.gz IADWTMWBTNJHAA-SJORKVTESA-N 1 2 350.484 2.061 20 30 FEEDLO CC(C)(C)[C@@H]1CC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C[C@@H]1O ZINC000272306339 550437094 /nfs/dbraw/zinc/43/70/94/550437094.db2.gz IADWTMWBTNJHAA-SJORKVTESA-N 1 2 350.484 2.061 20 30 FEEDLO Cc1c(Cl)cnc(N2CC[NH+](CC(=O)N3CCCCC3)CC2)c1C#N ZINC000273073947 550483544 /nfs/dbraw/zinc/48/35/44/550483544.db2.gz WEVXSWPKHJKNTD-UHFFFAOYSA-N 1 2 361.877 2.050 20 30 FEEDLO Cc1cc(Br)cn2cc(CCNC(=O)CSCC#N)[nH+]c12 ZINC000273264567 550492194 /nfs/dbraw/zinc/49/21/94/550492194.db2.gz IPBCLUCIUQBKNW-UHFFFAOYSA-N 1 2 367.272 2.321 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[NH2+][C@@H](C)c2nncn2C)c1 ZINC000275146902 550570734 /nfs/dbraw/zinc/57/07/34/550570734.db2.gz FUINREYVXFWGOF-JKSUJKDBSA-N 1 2 354.458 2.418 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H](C)c2nncn2C)c1 ZINC000275146897 550570767 /nfs/dbraw/zinc/57/07/67/550570767.db2.gz FUINREYVXFWGOF-HOTGVXAUSA-N 1 2 354.458 2.418 20 30 FEEDLO CC1(C)CCCN(CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)[C@H]1C#N ZINC000277746922 550709410 /nfs/dbraw/zinc/70/94/10/550709410.db2.gz LFDTXFIXJRRMKQ-IBGZPJMESA-N 1 2 370.497 2.471 20 30 FEEDLO Cn1ncc2c1nc[nH+]c2N1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000278036858 550741593 /nfs/dbraw/zinc/74/15/93/550741593.db2.gz QDDXQVJTIGNCKC-UHFFFAOYSA-N 1 2 353.817 2.215 20 30 FEEDLO C=CCNC(=O)C[NH+]1CCN(Cc2cccc(Cl)c2OCC)CC1 ZINC000495055821 561481846 /nfs/dbraw/zinc/48/18/46/561481846.db2.gz AWJWXXOGJMDULB-UHFFFAOYSA-N 1 2 351.878 2.159 20 30 FEEDLO C#CCn1ccc(CN(CC)C(=O)NCCn2c(C)[nH+]c3ccccc32)n1 ZINC000279314891 550876669 /nfs/dbraw/zinc/87/66/69/550876669.db2.gz XOSDVTNVQICHRB-UHFFFAOYSA-N 1 2 364.453 2.406 20 30 FEEDLO CO[C@]1(C)CCC[N@H+](CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000279395194 550885246 /nfs/dbraw/zinc/88/52/46/550885246.db2.gz URKCLXMCZOZKCQ-IFXJQAMLSA-N 1 2 354.410 2.013 20 30 FEEDLO CO[C@]1(C)CCC[N@@H+](CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000279395194 550885249 /nfs/dbraw/zinc/88/52/49/550885249.db2.gz URKCLXMCZOZKCQ-IFXJQAMLSA-N 1 2 354.410 2.013 20 30 FEEDLO Cn1c[nH+]cc1CCC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000279651926 550912850 /nfs/dbraw/zinc/91/28/50/550912850.db2.gz FESVHYGXUIBPOW-UHFFFAOYSA-N 1 2 365.437 2.102 20 30 FEEDLO C#CCn1ccc(C[N@@H+](CC)[C@@H](C)C(=O)NCc2cccc(OC)c2)n1 ZINC000279730651 550922407 /nfs/dbraw/zinc/92/24/07/550922407.db2.gz NFIVBTWYKDSQNI-INIZCTEOSA-N 1 2 354.454 2.052 20 30 FEEDLO C#CCn1ccc(C[N@H+](CC)[C@@H](C)C(=O)NCc2cccc(OC)c2)n1 ZINC000279730651 550922408 /nfs/dbraw/zinc/92/24/08/550922408.db2.gz NFIVBTWYKDSQNI-INIZCTEOSA-N 1 2 354.454 2.052 20 30 FEEDLO Cc1nc(C#N)c(N2CCC(C(=O)NCc3cn4ccccc4[nH+]3)CC2)o1 ZINC000280162570 550966816 /nfs/dbraw/zinc/96/68/16/550966816.db2.gz GKJUOBVWXAGVSB-UHFFFAOYSA-N 1 2 364.409 2.035 20 30 FEEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCO[C@@]2(CCO[C@@H]2C)C1 ZINC000280563290 551007724 /nfs/dbraw/zinc/00/77/24/551007724.db2.gz VBLQTJYPHSGOAW-VFVRVIDISA-N 1 2 363.845 2.418 20 30 FEEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCO[C@@]2(CCO[C@@H]2C)C1 ZINC000280563290 551007725 /nfs/dbraw/zinc/00/77/25/551007725.db2.gz VBLQTJYPHSGOAW-VFVRVIDISA-N 1 2 363.845 2.418 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1=O ZINC000281325873 551084807 /nfs/dbraw/zinc/08/48/07/551084807.db2.gz LPEPWZZZRXLILX-ASPXRTSYSA-N 1 2 360.502 2.024 20 30 FEEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1=O ZINC000281325873 551084809 /nfs/dbraw/zinc/08/48/09/551084809.db2.gz LPEPWZZZRXLILX-ASPXRTSYSA-N 1 2 360.502 2.024 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)C(=O)Nc2ccc(OC(F)F)cc2)C1=O ZINC000281375120 551089691 /nfs/dbraw/zinc/08/96/91/551089691.db2.gz OQYQXKBBIDWKGB-WFASDCNBSA-N 1 2 367.396 2.334 20 30 FEEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)C(=O)Nc2ccc(OC(F)F)cc2)C1=O ZINC000281375120 551089692 /nfs/dbraw/zinc/08/96/92/551089692.db2.gz OQYQXKBBIDWKGB-WFASDCNBSA-N 1 2 367.396 2.334 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000281832088 551145597 /nfs/dbraw/zinc/14/55/97/551145597.db2.gz PZTHXWPFRWMQSO-IEZWGBDMSA-N 1 2 374.485 2.087 20 30 FEEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCO[C@]2(CCCOC2)C1 ZINC000285332662 551739711 /nfs/dbraw/zinc/73/97/11/551739711.db2.gz OAWIRKRJAHTBTG-FXAWDEMLSA-N 1 2 357.454 2.203 20 30 FEEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCO[C@]2(CCCOC2)C1 ZINC000285332662 551739712 /nfs/dbraw/zinc/73/97/12/551739712.db2.gz OAWIRKRJAHTBTG-FXAWDEMLSA-N 1 2 357.454 2.203 20 30 FEEDLO CCOc1ccc(O)c(/C=[NH+]/C[C@H]2CCCC[C@H]2NS(C)(=O)=O)c1 ZINC000285434240 551756092 /nfs/dbraw/zinc/75/60/92/551756092.db2.gz OZYXTGPBOFGIIQ-LIRJSKHBSA-N 1 2 354.472 2.318 20 30 FEEDLO CN(C[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2C#N)C1)S(C)(=O)=O ZINC000285567706 551775758 /nfs/dbraw/zinc/77/57/58/551775758.db2.gz KAQOQMSXRBCSHE-CYBMUJFWSA-N 1 2 355.891 2.315 20 30 FEEDLO CN(C[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2C#N)C1)S(C)(=O)=O ZINC000285567706 551775760 /nfs/dbraw/zinc/77/57/60/551775760.db2.gz KAQOQMSXRBCSHE-CYBMUJFWSA-N 1 2 355.891 2.315 20 30 FEEDLO Cc1cc(NC(=O)C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)on1 ZINC000285623252 551784960 /nfs/dbraw/zinc/78/49/60/551784960.db2.gz YGLFRAXCXWMKGT-UHFFFAOYSA-N 1 2 358.373 2.476 20 30 FEEDLO C[C@@H](CNC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1)Cn1cc[nH+]c1 ZINC000286154633 551855179 /nfs/dbraw/zinc/85/51/79/551855179.db2.gz HUZMQCOGTWIFLM-GOEBONIOSA-N 1 2 355.417 2.173 20 30 FEEDLO C[NH+](C)C1(C#N)CCN(C(=O)Nc2nc(C3CCOCC3)cs2)CC1 ZINC000287520383 552014879 /nfs/dbraw/zinc/01/48/79/552014879.db2.gz VGLYJFYPGXDLBD-UHFFFAOYSA-N 1 2 363.487 2.489 20 30 FEEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N(CCC#N)c2cc(C)cc(C)c2)C1=O ZINC000500023214 561564304 /nfs/dbraw/zinc/56/43/04/561564304.db2.gz HBJZYMYNJWBZIA-IBGZPJMESA-N 1 2 368.481 2.269 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N(CCC#N)c2cc(C)cc(C)c2)C1=O ZINC000500023214 561564305 /nfs/dbraw/zinc/56/43/05/561564305.db2.gz HBJZYMYNJWBZIA-IBGZPJMESA-N 1 2 368.481 2.269 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C(=O)N2CCSc3ccccc32)C1=O ZINC000500021911 561564402 /nfs/dbraw/zinc/56/44/02/561564402.db2.gz ZITIQLPWTCVXBC-ZBFHGGJFSA-N 1 2 359.495 2.233 20 30 FEEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)C(=O)N2CCSc3ccccc32)C1=O ZINC000500021911 561564403 /nfs/dbraw/zinc/56/44/03/561564403.db2.gz ZITIQLPWTCVXBC-ZBFHGGJFSA-N 1 2 359.495 2.233 20 30 FEEDLO C=C(C)CN(CC)C(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000289051378 552258589 /nfs/dbraw/zinc/25/85/89/552258589.db2.gz BZYVBDKCLNYJGW-SJORKVTESA-N 1 2 365.424 2.251 20 30 FEEDLO C=C(C)CN(CC)C(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000289051378 552258590 /nfs/dbraw/zinc/25/85/90/552258590.db2.gz BZYVBDKCLNYJGW-SJORKVTESA-N 1 2 365.424 2.251 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(Cc3cnc(C4OCCO4)s3)CC2)cc1 ZINC000289131221 552270597 /nfs/dbraw/zinc/27/05/97/552270597.db2.gz OMNZRWWKWHLBJA-UHFFFAOYSA-N 1 2 370.478 2.378 20 30 FEEDLO Cn1c2ccc(CNS(=O)(=O)c3ccc(C#N)nc3)cc2[nH+]c1C1CC1 ZINC000289239888 552287197 /nfs/dbraw/zinc/28/71/97/552287197.db2.gz SOLBSDLWEXXXIC-UHFFFAOYSA-N 1 2 367.434 2.196 20 30 FEEDLO C#CC[C@]1(C(=O)N[C@@H](C)Cn2cc[nH+]c2)CCCN1C(=O)OC(C)(C)C ZINC000289356914 552306418 /nfs/dbraw/zinc/30/64/18/552306418.db2.gz YERXVRMURXSYQD-HNAYVOBHSA-N 1 2 360.458 2.181 20 30 FEEDLO C#CC[C@@]1(C(=O)N[C@@H](C)Cn2cc[nH+]c2)CCCN1C(=O)OC(C)(C)C ZINC000289356918 552306462 /nfs/dbraw/zinc/30/64/62/552306462.db2.gz YERXVRMURXSYQD-KXBFYZLASA-N 1 2 360.458 2.181 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[NH+]2CCC(c3ccncc3)CC2)nc1 ZINC000289375535 552310569 /nfs/dbraw/zinc/31/05/69/552310569.db2.gz IRINQXVINQDSOX-UHFFFAOYSA-N 1 2 356.451 2.002 20 30 FEEDLO Cc1nsc(N2CC[NH+](C[C@@H](O)c3ccc(F)cc3F)CC2)c1C#N ZINC000289471027 552326553 /nfs/dbraw/zinc/32/65/53/552326553.db2.gz NBYRICYIXVPQMO-MRXNPFEDSA-N 1 2 364.421 2.457 20 30 FEEDLO N#Cc1ccc(Br)c(C[NH+]2CCC(c3nc(=O)[nH][nH]3)CC2)c1 ZINC000289576005 552343820 /nfs/dbraw/zinc/34/38/20/552343820.db2.gz YVCRBTOFDKUNPF-UHFFFAOYSA-N 1 2 362.231 2.112 20 30 FEEDLO Cn1cc(C[NH+]2CCN([C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)cc1C#N ZINC000290102729 552427947 /nfs/dbraw/zinc/42/79/47/552427947.db2.gz HSQUCXBSWDLJBC-QGZVFWFLSA-N 1 2 373.501 2.024 20 30 FEEDLO COc1ccccc1[C@@H]1CC[N@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000290350037 552464975 /nfs/dbraw/zinc/46/49/75/552464975.db2.gz QAKIQBOFFFGQNN-MRXNPFEDSA-N 1 2 371.462 2.225 20 30 FEEDLO COc1ccccc1[C@@H]1CC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000290350037 552464977 /nfs/dbraw/zinc/46/49/77/552464977.db2.gz QAKIQBOFFFGQNN-MRXNPFEDSA-N 1 2 371.462 2.225 20 30 FEEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@](CO)(c2ccccc2)C1 ZINC000291378705 552620358 /nfs/dbraw/zinc/62/03/58/552620358.db2.gz ARLIGXBKXCBSLX-CTNGQTDRSA-N 1 2 350.418 2.408 20 30 FEEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@](CO)(c2ccccc2)C1 ZINC000291378705 552620359 /nfs/dbraw/zinc/62/03/59/552620359.db2.gz ARLIGXBKXCBSLX-CTNGQTDRSA-N 1 2 350.418 2.408 20 30 FEEDLO Cn1c[nH+]cc1CNC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000291885370 552671686 /nfs/dbraw/zinc/67/16/86/552671686.db2.gz LLDMMYAVSHPMPZ-UHFFFAOYSA-N 1 2 357.389 2.184 20 30 FEEDLO Cn1cc[nH+]c1[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)CCCC#N ZINC000292165181 552700202 /nfs/dbraw/zinc/70/02/02/552700202.db2.gz FNTUUMMFSNIWEU-CQSZACIVSA-N 1 2 361.446 2.234 20 30 FEEDLO Cc1ccc(CNC(=O)C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1F ZINC000292366553 552719909 /nfs/dbraw/zinc/71/99/09/552719909.db2.gz YHJJTFISUDGTIZ-KRWDZBQOSA-N 1 2 368.412 2.170 20 30 FEEDLO Cc1ccc(CNC(=O)C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1F ZINC000292366553 552719911 /nfs/dbraw/zinc/71/99/11/552719911.db2.gz YHJJTFISUDGTIZ-KRWDZBQOSA-N 1 2 368.412 2.170 20 30 FEEDLO C=CCc1ccc(OC[C@@H](O)C[NH2+][C@](C)(CC)C(=O)OC)c(OC)c1 ZINC000293041345 552783147 /nfs/dbraw/zinc/78/31/47/552783147.db2.gz FBHJDPRWLXAKRW-HNAYVOBHSA-N 1 2 351.443 2.095 20 30 FEEDLO C=CCn1c(=O)c2ccc(C(=O)N3CC[C@@H](C)C[C@H]3C[NH3+])cc2[nH]c1=S ZINC000293691020 552847790 /nfs/dbraw/zinc/84/77/90/552847790.db2.gz PCFLGSJMADAUGA-OCCSQVGLSA-N 1 2 372.494 2.071 20 30 FEEDLO CC(C)(CNC(=O)c1ccc(Br)cc1C#N)[NH+]1CCOCC1 ZINC000294223245 552889176 /nfs/dbraw/zinc/88/91/76/552889176.db2.gz CXFRKQSTZXWOFB-UHFFFAOYSA-N 1 2 366.259 2.161 20 30 FEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000295587907 553029746 /nfs/dbraw/zinc/02/97/46/553029746.db2.gz MHUMUWQBVPPIGO-VPWXQRGCSA-N 1 2 363.417 2.053 20 30 FEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000295587907 553029748 /nfs/dbraw/zinc/02/97/48/553029748.db2.gz MHUMUWQBVPPIGO-VPWXQRGCSA-N 1 2 363.417 2.053 20 30 FEEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000503237298 561637601 /nfs/dbraw/zinc/63/76/01/561637601.db2.gz FOTKUGWHEWWXHB-JKSUJKDBSA-N 1 2 356.470 2.089 20 30 FEEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+](C)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000503237298 561637602 /nfs/dbraw/zinc/63/76/02/561637602.db2.gz FOTKUGWHEWWXHB-JKSUJKDBSA-N 1 2 356.470 2.089 20 30 FEEDLO C#CC[N@H+](Cc1ccc(F)cc1)[C@@H](C)C(=O)N1CCC(C(=O)OCC)CC1 ZINC000298061997 553379175 /nfs/dbraw/zinc/37/91/75/553379175.db2.gz IWJCMHPBOIYJFT-INIZCTEOSA-N 1 2 374.456 2.451 20 30 FEEDLO C#CC[N@@H+](Cc1ccc(F)cc1)[C@@H](C)C(=O)N1CCC(C(=O)OCC)CC1 ZINC000298061997 553379176 /nfs/dbraw/zinc/37/91/76/553379176.db2.gz IWJCMHPBOIYJFT-INIZCTEOSA-N 1 2 374.456 2.451 20 30 FEEDLO COc1ccc(C(N)=[NH+]OCC(=O)N[C@H](C)c2cccs2)cc1OC ZINC000298094320 553383064 /nfs/dbraw/zinc/38/30/64/553383064.db2.gz MNJPULRHRGFPMP-LLVKDONJSA-N 1 2 363.439 2.280 20 30 FEEDLO C[C@]12CC[N@H+](CC(=O)[C@H](C#N)c3nc4ccccc4c(=O)[nH]3)C[C@H]1C2(F)F ZINC000298344004 553414488 /nfs/dbraw/zinc/41/44/88/553414488.db2.gz SKCOXVQFTBQKFY-PNPHSEOMSA-N 1 2 372.375 2.489 20 30 FEEDLO C[C@]12CC[N@@H+](CC(=O)[C@H](C#N)c3nc4ccccc4c(=O)[nH]3)C[C@H]1C2(F)F ZINC000298344004 553414489 /nfs/dbraw/zinc/41/44/89/553414489.db2.gz SKCOXVQFTBQKFY-PNPHSEOMSA-N 1 2 372.375 2.489 20 30 FEEDLO COc1ccccc1C[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)C[C@H]1CCCO1 ZINC000298702248 553460697 /nfs/dbraw/zinc/46/06/97/553460697.db2.gz HOPFTHNDBBPWOE-NQIIRXRSSA-N 1 2 371.481 2.485 20 30 FEEDLO COc1ccccc1C[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)C[C@H]1CCCO1 ZINC000298702248 553460698 /nfs/dbraw/zinc/46/06/98/553460698.db2.gz HOPFTHNDBBPWOE-NQIIRXRSSA-N 1 2 371.481 2.485 20 30 FEEDLO C[C@@H]1CCC[C@@H](C)N1C(=O)CO[NH+]=C(N)c1ccc(N2CCCCC2)nc1 ZINC000299347259 553551106 /nfs/dbraw/zinc/55/11/06/553551106.db2.gz XCBZHBNQRZEXAW-HZPDHXFCSA-N 1 2 373.501 2.498 20 30 FEEDLO N#Cc1cc2c(nc1NC[C@@]1([NH+]3CCOCC3)CCSC1)CCCC2 ZINC000301886774 553688390 /nfs/dbraw/zinc/68/83/90/553688390.db2.gz MKXMWJLGXNQAQX-IBGZPJMESA-N 1 2 358.511 2.452 20 30 FEEDLO CN(C(=O)C[NH+]1CCN(c2c(C#N)cccc2C#N)CC1)C1CCCCC1 ZINC000302893800 553740430 /nfs/dbraw/zinc/74/04/30/553740430.db2.gz QHKSKANTHFUQQK-UHFFFAOYSA-N 1 2 365.481 2.343 20 30 FEEDLO O=C(NC[C@@H]1CCC2(CCOCC2)[C@@H]1O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000328711502 553810884 /nfs/dbraw/zinc/81/08/84/553810884.db2.gz RKQQWLYIHYQECY-CGTJXYLNSA-N 1 2 366.502 2.154 20 30 FEEDLO O=C(NC[C@@H]1CCC2(CCOCC2)[C@@H]1O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000328711502 553810887 /nfs/dbraw/zinc/81/08/87/553810887.db2.gz RKQQWLYIHYQECY-CGTJXYLNSA-N 1 2 366.502 2.154 20 30 FEEDLO CCN(CC)C(=O)[C@@H]1CCCN1C(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000328722906 553812760 /nfs/dbraw/zinc/81/27/60/553812760.db2.gz SBWFSEUTQHHEBT-CVEARBPZSA-N 1 2 361.490 2.316 20 30 FEEDLO CC1(C)CCC[C@H](CC(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000328795021 553823670 /nfs/dbraw/zinc/82/36/70/553823670.db2.gz SVDARMWACUJTLP-SJORKVTESA-N 1 2 365.518 2.483 20 30 FEEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)CN1C(=O)COc3ccccc31)CCC2 ZINC000328855707 553833300 /nfs/dbraw/zinc/83/33/00/553833300.db2.gz XSHMALDHFWNTAD-CQSZACIVSA-N 1 2 354.410 2.451 20 30 FEEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)Nc2ccc3c(c2)C(=O)N(C)CC3)C1 ZINC000328882613 553837952 /nfs/dbraw/zinc/83/79/52/553837952.db2.gz XIOCJENRIZSQMR-AWEZNQCLSA-N 1 2 353.426 2.083 20 30 FEEDLO C[N@@H+]1CCO[C@@H](CNC(=O)Nc2cccc3c2CN(c2nccs2)C3)C1 ZINC000328889566 553838877 /nfs/dbraw/zinc/83/88/77/553838877.db2.gz QRPBEEWLOAVETN-AWEZNQCLSA-N 1 2 373.482 2.320 20 30 FEEDLO C[N@H+]1CCO[C@@H](CNC(=O)Nc2cccc3c2CN(c2nccs2)C3)C1 ZINC000328889566 553838879 /nfs/dbraw/zinc/83/88/79/553838879.db2.gz QRPBEEWLOAVETN-AWEZNQCLSA-N 1 2 373.482 2.320 20 30 FEEDLO C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@@H+]1CCOC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000328935571 553848306 /nfs/dbraw/zinc/84/83/06/553848306.db2.gz CMMQAVHGZMTIAC-DRRXZNNHSA-N 1 2 367.490 2.297 20 30 FEEDLO C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@H+]1CCOC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000328935571 553848308 /nfs/dbraw/zinc/84/83/08/553848308.db2.gz CMMQAVHGZMTIAC-DRRXZNNHSA-N 1 2 367.490 2.297 20 30 FEEDLO Cc1cc(C)n(-c2ccccc2NC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)n1 ZINC000328968116 553855136 /nfs/dbraw/zinc/85/51/36/553855136.db2.gz UADVTLHRGIUOAG-MOPGFXCFSA-N 1 2 369.469 2.440 20 30 FEEDLO Cc1cc(C)n(-c2ccccc2NC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)n1 ZINC000328968116 553855140 /nfs/dbraw/zinc/85/51/40/553855140.db2.gz UADVTLHRGIUOAG-MOPGFXCFSA-N 1 2 369.469 2.440 20 30 FEEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C ZINC000328981537 553857812 /nfs/dbraw/zinc/85/78/12/553857812.db2.gz RURBSXQAYBOVJX-GDLCADMTSA-N 1 2 373.482 2.387 20 30 FEEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C ZINC000328981537 553857814 /nfs/dbraw/zinc/85/78/14/553857814.db2.gz RURBSXQAYBOVJX-GDLCADMTSA-N 1 2 373.482 2.387 20 30 FEEDLO CC(=O)N1CCC(NC(=O)CN2CCC[C@H]2c2[nH]c3c([nH+]2)CCCC3)CC1 ZINC000328999006 553861466 /nfs/dbraw/zinc/86/14/66/553861466.db2.gz GGRUJKIGXMHJKE-SFHVURJKSA-N 1 2 373.501 2.393 20 30 FEEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)NC[C@@H]1CCO[C@H]1c1ccc(F)cc1 ZINC000329010419 553864214 /nfs/dbraw/zinc/86/42/14/553864214.db2.gz DJEDQJDOYSSVOQ-ZVZYQTTQSA-N 1 2 365.449 2.128 20 30 FEEDLO Cc1csc([C@H](NC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)C2CC2)n1 ZINC000329074194 553875436 /nfs/dbraw/zinc/87/54/36/553875436.db2.gz PCRVKLVLQHSJKI-QLFBSQMISA-N 1 2 350.488 2.222 20 30 FEEDLO Cc1csc([C@H](NC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)C2CC2)n1 ZINC000329074194 553875438 /nfs/dbraw/zinc/87/54/38/553875438.db2.gz PCRVKLVLQHSJKI-QLFBSQMISA-N 1 2 350.488 2.222 20 30 FEEDLO CCc1noc(C)c1C(=O)N[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C ZINC000329211628 553903060 /nfs/dbraw/zinc/90/30/60/553903060.db2.gz ZIBUWANZPYDSLD-RDTXWAMCSA-N 1 2 371.441 2.478 20 30 FEEDLO CC(C)[C@H]1CCN1C(=O)N[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C ZINC000329318115 553924544 /nfs/dbraw/zinc/92/45/44/553924544.db2.gz IBYCAMAKRQPTJA-IIDMSEBBSA-N 1 2 359.474 2.259 20 30 FEEDLO Cc1cc(N2CCC(NC(=O)[C@H]3COCC[N@@H+]3C3CCCC3)CC2)n[nH]1 ZINC000329339004 553928124 /nfs/dbraw/zinc/92/81/24/553928124.db2.gz NJSHLVTYEGEZSN-QGZVFWFLSA-N 1 2 361.490 2.287 20 30 FEEDLO Cc1cc(N2CCC(NC(=O)[C@H]3COCC[N@H+]3C3CCCC3)CC2)n[nH]1 ZINC000329339004 553928127 /nfs/dbraw/zinc/92/81/27/553928127.db2.gz NJSHLVTYEGEZSN-QGZVFWFLSA-N 1 2 361.490 2.287 20 30 FEEDLO C[C@H](NC(=O)N1CCC[N@H+](Cc2cscn2)CC1)[C@H]1CCCOC1 ZINC000329389862 553937159 /nfs/dbraw/zinc/93/71/59/553937159.db2.gz SAOVKGTZXWIBCP-GJZGRUSLSA-N 1 2 352.504 2.380 20 30 FEEDLO C[C@H](NC(=O)N1CCC[N@@H+](Cc2cscn2)CC1)[C@H]1CCCOC1 ZINC000329389862 553937160 /nfs/dbraw/zinc/93/71/60/553937160.db2.gz SAOVKGTZXWIBCP-GJZGRUSLSA-N 1 2 352.504 2.380 20 30 FEEDLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CCC(C(=O)Nc2cccc(F)c2)CC1 ZINC000329409977 553940963 /nfs/dbraw/zinc/94/09/63/553940963.db2.gz XXHVSBUCOSEKPL-QGZVFWFLSA-N 1 2 363.433 2.373 20 30 FEEDLO CC[N@H+]1CCOC[C@@H]1C(=O)N1CCC(C(=O)Nc2cccc(F)c2)CC1 ZINC000329409977 553940964 /nfs/dbraw/zinc/94/09/64/553940964.db2.gz XXHVSBUCOSEKPL-QGZVFWFLSA-N 1 2 363.433 2.373 20 30 FEEDLO CO[C@@H]1CN(C(=O)N[C@H](c2[nH+]ccn2C)C2CCOCC2)CC[C@H]1C ZINC000329425643 553944294 /nfs/dbraw/zinc/94/42/94/553944294.db2.gz GJYSXEBCWAOCII-BMFZPTHFSA-N 1 2 350.463 2.159 20 30 FEEDLO COCCn1cc2c(n1)[C@H](NC(=O)N1CCC(c3c[nH+]c[nH]3)CC1)CCC2 ZINC000329529381 553962958 /nfs/dbraw/zinc/96/29/58/553962958.db2.gz TWSYBADTSHJUJG-MRXNPFEDSA-N 1 2 372.473 2.424 20 30 FEEDLO COCCn1cc2c(n1)[C@H](NC(=O)N1CCC(c3c[nH]c[nH+]3)CC1)CCC2 ZINC000329529381 553962960 /nfs/dbraw/zinc/96/29/60/553962960.db2.gz TWSYBADTSHJUJG-MRXNPFEDSA-N 1 2 372.473 2.424 20 30 FEEDLO C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@H+](C)C[C@H]1CCS(=O)(=O)C1 ZINC000329571005 553969702 /nfs/dbraw/zinc/96/97/02/553969702.db2.gz MNGXLMNTAKKADB-IIAWOOMASA-N 1 2 366.483 2.222 20 30 FEEDLO C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@@H+](C)C[C@H]1CCS(=O)(=O)C1 ZINC000329571005 553969703 /nfs/dbraw/zinc/96/97/03/553969703.db2.gz MNGXLMNTAKKADB-IIAWOOMASA-N 1 2 366.483 2.222 20 30 FEEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)N[C@H]3CC(C)(C)Oc4cc(F)ccc43)C[C@@H]21 ZINC000329618564 553977768 /nfs/dbraw/zinc/97/77/68/553977768.db2.gz QMZLHUUHACQFNU-YQQAZPJKSA-N 1 2 363.433 2.357 20 30 FEEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)N[C@H]3CC(C)(C)Oc4cc(F)ccc43)C[C@@H]21 ZINC000329618564 553977770 /nfs/dbraw/zinc/97/77/70/553977770.db2.gz QMZLHUUHACQFNU-YQQAZPJKSA-N 1 2 363.433 2.357 20 30 FEEDLO C[C@H]([C@H](C)NC(=O)N1CCO[C@H](C2CCCCC2)C1)[NH+]1CCOCC1 ZINC000329641436 553981556 /nfs/dbraw/zinc/98/15/56/553981556.db2.gz ZUDPJWZETHGVPN-JZXOWHBKSA-N 1 2 353.507 2.291 20 30 FEEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@@H]1CCC(=O)N[C@H]1C(C)(C)C ZINC000329690596 553990220 /nfs/dbraw/zinc/99/02/20/553990220.db2.gz BPIUGDWEOMAVOG-IIAWOOMASA-N 1 2 354.495 2.087 20 30 FEEDLO CC[C@@H]1CCc2nc(NC(=O)N3C[C@H]4OCC[N@H+](C)[C@H]4C3)sc2C1 ZINC000329720802 553994846 /nfs/dbraw/zinc/99/48/46/553994846.db2.gz AOPNQEHWDCTKAX-KWCYVHTRSA-N 1 2 350.488 2.218 20 30 FEEDLO CC[C@@H]1CCc2nc(NC(=O)N3C[C@H]4OCC[N@@H+](C)[C@H]4C3)sc2C1 ZINC000329720802 553994850 /nfs/dbraw/zinc/99/48/50/553994850.db2.gz AOPNQEHWDCTKAX-KWCYVHTRSA-N 1 2 350.488 2.218 20 30 FEEDLO CC(C)(C)[C@@H]1NC(=O)CC[C@H]1NC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000329717628 553995023 /nfs/dbraw/zinc/99/50/23/553995023.db2.gz XTSHRRWXFILZAT-TZMCWYRMSA-N 1 2 367.494 2.365 20 30 FEEDLO C[C@@H]1OCC[C@]1(C)NC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000329764780 554001758 /nfs/dbraw/zinc/00/17/58/554001758.db2.gz WDKCQGNLQAVSRB-KXBFYZLASA-N 1 2 360.458 2.034 20 30 FEEDLO Cc1cc(NC(=O)N2CCN3CCOC[C@H]3C2)c[nH+]c1N1CCCC[C@H]1C ZINC000329809834 554009578 /nfs/dbraw/zinc/00/95/78/554009578.db2.gz CEUFGJDQHKEHLI-SJLPKXTDSA-N 1 2 373.501 2.331 20 30 FEEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)NCC2CCSCC2)CC1 ZINC000329811079 554010061 /nfs/dbraw/zinc/01/00/61/554010061.db2.gz REJDJSORTDPBLQ-CYBMUJFWSA-N 1 2 354.520 2.169 20 30 FEEDLO Cc1ccc(-n2cc(NC(=O)N3C[C@@H]4OCC[N@@H+](C)[C@H]4C3)cn2)c(C)c1 ZINC000329840598 554016293 /nfs/dbraw/zinc/01/62/93/554016293.db2.gz OFQCJGOOQZDDLE-ROUUACIJSA-N 1 2 355.442 2.049 20 30 FEEDLO Cc1ccc(-n2cc(NC(=O)N3C[C@@H]4OCC[N@H+](C)[C@H]4C3)cn2)c(C)c1 ZINC000329840598 554016294 /nfs/dbraw/zinc/01/62/94/554016294.db2.gz OFQCJGOOQZDDLE-ROUUACIJSA-N 1 2 355.442 2.049 20 30 FEEDLO C[NH+]1CCN(C(=O)c2cc(NC(=O)N[C@H]3CCCC3(C)C)ccn2)CC1 ZINC000329852787 554019158 /nfs/dbraw/zinc/01/91/58/554019158.db2.gz RSIYIOCNNYCQGE-INIZCTEOSA-N 1 2 359.474 2.183 20 30 FEEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)C[C@H]21 ZINC000329918449 554031707 /nfs/dbraw/zinc/03/17/07/554031707.db2.gz FXONYTNZVMUTIU-ZIAGYGMSSA-N 1 2 354.332 2.137 20 30 FEEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)C[C@H]21 ZINC000329918449 554031710 /nfs/dbraw/zinc/03/17/10/554031710.db2.gz FXONYTNZVMUTIU-ZIAGYGMSSA-N 1 2 354.332 2.137 20 30 FEEDLO C[C@@H]1OCC[C@]12C[N@H+](CC(=O)NCCOc1ccc(F)cc1)CCO2 ZINC000329929645 554033715 /nfs/dbraw/zinc/03/37/15/554033715.db2.gz YYXCJUKEZNCVGI-KSSFIOAISA-N 1 2 352.406 2.041 20 30 FEEDLO C[C@@H]1OCC[C@]12C[N@@H+](CC(=O)NCCOc1ccc(F)cc1)CCO2 ZINC000329929645 554033716 /nfs/dbraw/zinc/03/37/16/554033716.db2.gz YYXCJUKEZNCVGI-KSSFIOAISA-N 1 2 352.406 2.041 20 30 FEEDLO CC(=O)N1CCC[C@H]1C(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1c(C)noc1C ZINC000329981436 554043432 /nfs/dbraw/zinc/04/34/32/554043432.db2.gz NGBMVXMYLXMVQJ-ZOBUZTSGSA-N 1 2 366.437 2.171 20 30 FEEDLO CC(=O)N1CCC[C@H]1C(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1c(C)noc1C ZINC000329981436 554043434 /nfs/dbraw/zinc/04/34/34/554043434.db2.gz NGBMVXMYLXMVQJ-ZOBUZTSGSA-N 1 2 366.437 2.171 20 30 FEEDLO C[C@@H](C(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1)C1CCOCC1 ZINC000329991057 554044994 /nfs/dbraw/zinc/04/49/94/554044994.db2.gz WPABETXYGOGIFT-COXVUDFISA-N 1 2 352.454 2.352 20 30 FEEDLO C[C@@H](C(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1)C1CCOCC1 ZINC000329991057 554045000 /nfs/dbraw/zinc/04/50/00/554045000.db2.gz WPABETXYGOGIFT-COXVUDFISA-N 1 2 352.454 2.352 20 30 FEEDLO C=CCOc1cccc(NC(=O)C(=O)N[C@H](c2[nH+]ccn2C)C2CC2)c1 ZINC000507444252 561729783 /nfs/dbraw/zinc/72/97/83/561729783.db2.gz TYXDNLWGXPAFIZ-INIZCTEOSA-N 1 2 354.410 2.191 20 30 FEEDLO CCn1cc([C@@H]2CN(C(=O)NC[C@@H]3CCCn4cc(C)[nH+]c43)CCO2)cn1 ZINC000330057303 554056640 /nfs/dbraw/zinc/05/66/40/554056640.db2.gz XGNIQVRSDLNOTG-RDJZCZTQSA-N 1 2 372.473 2.273 20 30 FEEDLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)C2CCC(NC(=O)C3CC3)CC2)CC1 ZINC000330082984 554061650 /nfs/dbraw/zinc/06/16/50/554061650.db2.gz KMYDEMUGJSLKST-UHFFFAOYSA-N 1 2 364.490 2.370 20 30 FEEDLO CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2c(C)nn(C)c2C)C[C@@]2(CCOC2)O1 ZINC000330089429 554062776 /nfs/dbraw/zinc/06/27/76/554062776.db2.gz VUWDYPGBYVWNEA-HDMKZQKVSA-N 1 2 350.463 2.283 20 30 FEEDLO CC[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2c(C)nn(C)c2C)C[C@@]2(CCOC2)O1 ZINC000330089429 554062778 /nfs/dbraw/zinc/06/27/78/554062778.db2.gz VUWDYPGBYVWNEA-HDMKZQKVSA-N 1 2 350.463 2.283 20 30 FEEDLO CC(C)[C@@H]1OCCC[C@H]1CNC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000330267800 554096304 /nfs/dbraw/zinc/09/63/04/554096304.db2.gz QSNDTDKQOBEVPD-GJZGRUSLSA-N 1 2 354.495 2.283 20 30 FEEDLO CCN1CCN(C(=O)Nc2ccc3c(c2)OCC(=O)N3)C[C@@H]1c1[nH]cc[nH+]1 ZINC000330319528 554104584 /nfs/dbraw/zinc/10/45/84/554104584.db2.gz DHZREYOTDRELDN-CQSZACIVSA-N 1 2 370.413 2.314 20 30 FEEDLO C[C@H]([C@H](C)NC(=O)N1CCC(C(=O)OC(C)(C)C)CC1)[NH+]1CCOCC1 ZINC000330631056 554148195 /nfs/dbraw/zinc/14/81/95/554148195.db2.gz FCODRXJONBJUMP-LSDHHAIUSA-N 1 2 369.506 2.063 20 30 FEEDLO Cc1cccc(NC(=O)NC(=O)C[N@@H+]2CCC[C@](O)(C(F)(F)F)C2)c1C ZINC000330807783 554174266 /nfs/dbraw/zinc/17/42/66/554174266.db2.gz JMFJULRPIVEVRP-MRXNPFEDSA-N 1 2 373.375 2.354 20 30 FEEDLO Cc1cccc(NC(=O)NC(=O)C[N@H+]2CCC[C@](O)(C(F)(F)F)C2)c1C ZINC000330807783 554174267 /nfs/dbraw/zinc/17/42/67/554174267.db2.gz JMFJULRPIVEVRP-MRXNPFEDSA-N 1 2 373.375 2.354 20 30 FEEDLO CNC(=O)N[C@@H]1CC[N@H+](Cc2ccc(OC)c(OC)c2Br)C1 ZINC000330957197 554194173 /nfs/dbraw/zinc/19/41/73/554194173.db2.gz VGVHMKVDMOBAKD-LLVKDONJSA-N 1 2 372.263 2.174 20 30 FEEDLO CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(OC)c(OC)c2Br)C1 ZINC000330957197 554194174 /nfs/dbraw/zinc/19/41/74/554194174.db2.gz VGVHMKVDMOBAKD-LLVKDONJSA-N 1 2 372.263 2.174 20 30 FEEDLO Cc1ccc(NC(=O)N(C)C)cc1NC(=O)[C@H](C)[NH+]1CCSCC1 ZINC000331224135 554232975 /nfs/dbraw/zinc/23/29/75/554232975.db2.gz CWHAKWLBSSWCON-ZDUSSCGKSA-N 1 2 350.488 2.478 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCN(c2nc3ccccc3o2)CC1 ZINC000331429228 554262690 /nfs/dbraw/zinc/26/26/90/554262690.db2.gz AQILQIXIVVYNLY-MGPUTAFESA-N 1 2 369.469 2.393 20 30 FEEDLO COC(=O)[C@@H]1CSCC[N@H+](CC(=O)Nc2sc(C)c(C)c2C#N)C1 ZINC000331481616 554272396 /nfs/dbraw/zinc/27/23/96/554272396.db2.gz DXVZTFOWZGIYER-LBPRGKRZSA-N 1 2 367.496 2.013 20 30 FEEDLO COC(=O)[C@@H]1CSCC[N@@H+](CC(=O)Nc2sc(C)c(C)c2C#N)C1 ZINC000331481616 554272399 /nfs/dbraw/zinc/27/23/99/554272399.db2.gz DXVZTFOWZGIYER-LBPRGKRZSA-N 1 2 367.496 2.013 20 30 FEEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000332058520 554371372 /nfs/dbraw/zinc/37/13/72/554371372.db2.gz OPQCOUMEHSDBKP-KRWDZBQOSA-N 1 2 365.481 2.411 20 30 FEEDLO Cc1cc(N2CCN(C(=O)N[C@@H]3CCC[C@@H]3C#N)CC2)nc(C(C)C)[nH+]1 ZINC000332197254 554398660 /nfs/dbraw/zinc/39/86/60/554398660.db2.gz ZCDIUUCZYGLRAE-HZPDHXFCSA-N 1 2 356.474 2.432 20 30 FEEDLO C[N@@H+]1CCO[C@H]2CCN(C(=O)Nc3cc(C#N)ccc3OC(F)F)C[C@@H]21 ZINC000332574648 554474949 /nfs/dbraw/zinc/47/49/49/554474949.db2.gz CRQROXCWUXUVEM-ZFWWWQNUSA-N 1 2 366.368 2.096 20 30 FEEDLO C[N@H+]1CCO[C@H]2CCN(C(=O)Nc3cc(C#N)ccc3OC(F)F)C[C@@H]21 ZINC000332574648 554474952 /nfs/dbraw/zinc/47/49/52/554474952.db2.gz CRQROXCWUXUVEM-ZFWWWQNUSA-N 1 2 366.368 2.096 20 30 FEEDLO CCc1ccc(C[NH+]2CCN(C(=O)N=c3[nH]n(C)cc3C#N)CC2)s1 ZINC000610563097 554529038 /nfs/dbraw/zinc/52/90/38/554529038.db2.gz RSZUEFOIMWWSQU-UHFFFAOYSA-N 1 2 358.471 2.265 20 30 FEEDLO C=CCN1C(=O)N(CC(C)(C)[NH+]2CCOCC2)C(=O)[C@H]1Cc1ccccc1 ZINC000349270772 554724019 /nfs/dbraw/zinc/72/40/19/554724019.db2.gz VTYYYRZJSPOENS-GOSISDBHSA-N 1 2 371.481 2.159 20 30 FEEDLO Cc1nn(CCC#N)c(C)c1CCc1nc([C@@H]2C[N@H+](C(C)C)CCO2)no1 ZINC000349858968 554746288 /nfs/dbraw/zinc/74/62/88/554746288.db2.gz IURZGDPVMSQSMU-KRWDZBQOSA-N 1 2 372.473 2.364 20 30 FEEDLO Cc1nn(CCC#N)c(C)c1CCc1nc([C@@H]2C[N@@H+](C(C)C)CCO2)no1 ZINC000349858968 554746290 /nfs/dbraw/zinc/74/62/90/554746290.db2.gz IURZGDPVMSQSMU-KRWDZBQOSA-N 1 2 372.473 2.364 20 30 FEEDLO Cn1cc[nH+]c1[C@H]1CCN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)C1 ZINC000361789169 554935186 /nfs/dbraw/zinc/93/51/86/554935186.db2.gz OJWOPMMPGIFMAP-LBPRGKRZSA-N 1 2 350.831 2.123 20 30 FEEDLO Cc1cccc2[nH+]c(CN3CCN(Cc4ccc(C#N)cc4)C(=O)C3)cn21 ZINC000363058976 555020938 /nfs/dbraw/zinc/02/09/38/555020938.db2.gz ZVSJWFORMUVMLS-UHFFFAOYSA-N 1 2 359.433 2.359 20 30 FEEDLO CCO[C@@H](C)c1noc(CN2CCC[N@H+](C[C@H](C#N)CCC#N)CC2)n1 ZINC000363116577 555033874 /nfs/dbraw/zinc/03/38/74/555033874.db2.gz MCYKKKWUSPOGHC-HOTGVXAUSA-N 1 2 360.462 2.118 20 30 FEEDLO CCO[C@@H](C)c1noc(CN2CCC[N@@H+](C[C@H](C#N)CCC#N)CC2)n1 ZINC000363116577 555033876 /nfs/dbraw/zinc/03/38/76/555033876.db2.gz MCYKKKWUSPOGHC-HOTGVXAUSA-N 1 2 360.462 2.118 20 30 FEEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1[C@@H]2CCCC[C@H]2C[C@H]1C(N)=O ZINC000363175995 555045820 /nfs/dbraw/zinc/04/58/20/555045820.db2.gz DGTKWLWGRKMLOL-XZJROXQQSA-N 1 2 360.845 2.269 20 30 FEEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1[C@@H]2CCCC[C@H]2C[C@H]1C(N)=O ZINC000363175995 555045821 /nfs/dbraw/zinc/04/58/21/555045821.db2.gz DGTKWLWGRKMLOL-XZJROXQQSA-N 1 2 360.845 2.269 20 30 FEEDLO CC(C)(C)OC(=O)CCC[N@@H+]1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000363653617 555155896 /nfs/dbraw/zinc/15/58/96/555155896.db2.gz WGLPCRJRXRTVIE-VBKZILBWSA-N 1 2 355.438 2.454 20 30 FEEDLO CC(C)(C)OC(=O)CCC[N@H+]1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000363653617 555155897 /nfs/dbraw/zinc/15/58/97/555155897.db2.gz WGLPCRJRXRTVIE-VBKZILBWSA-N 1 2 355.438 2.454 20 30 FEEDLO C=CC[N@@H+](C[C@@H](C)CS(C)(=O)=O)[C@H]1CCN(Cc2ccccc2)C1 ZINC000363946231 555219744 /nfs/dbraw/zinc/21/97/44/555219744.db2.gz BZPQQWBUKPUWKK-MJGOQNOKSA-N 1 2 350.528 2.430 20 30 FEEDLO C=CC[N@H+](C[C@@H](C)CS(C)(=O)=O)[C@H]1CCN(Cc2ccccc2)C1 ZINC000363946231 555219746 /nfs/dbraw/zinc/21/97/46/555219746.db2.gz BZPQQWBUKPUWKK-MJGOQNOKSA-N 1 2 350.528 2.430 20 30 FEEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2C[C@@H](O)C3(CC3)C2)c1C#N ZINC000364442770 555315020 /nfs/dbraw/zinc/31/50/20/555315020.db2.gz MYDOJGMMCIDIGV-QGZVFWFLSA-N 1 2 368.437 2.013 20 30 FEEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2C[C@@H](O)C3(CC3)C2)c1C#N ZINC000364442770 555315022 /nfs/dbraw/zinc/31/50/22/555315022.db2.gz MYDOJGMMCIDIGV-QGZVFWFLSA-N 1 2 368.437 2.013 20 30 FEEDLO N#C[C@@H]1C[N@@H+](CCOCC(F)(F)C(F)F)C[C@]12C(=O)Nc1ccccc12 ZINC000364897850 555430033 /nfs/dbraw/zinc/43/00/33/555430033.db2.gz UFXOPFQEGRVKKY-BZNIZROVSA-N 1 2 371.334 2.249 20 30 FEEDLO N#C[C@@H]1C[N@H+](CCOCC(F)(F)C(F)F)C[C@]12C(=O)Nc1ccccc12 ZINC000364897850 555430034 /nfs/dbraw/zinc/43/00/34/555430034.db2.gz UFXOPFQEGRVKKY-BZNIZROVSA-N 1 2 371.334 2.249 20 30 FEEDLO N#C[C@H]1C[N@@H+](CCOCC(F)(F)C(F)F)C[C@@]12C(=O)Nc1ccccc12 ZINC000364897851 555430176 /nfs/dbraw/zinc/43/01/76/555430176.db2.gz UFXOPFQEGRVKKY-MEDUHNTESA-N 1 2 371.334 2.249 20 30 FEEDLO N#C[C@H]1C[N@H+](CCOCC(F)(F)C(F)F)C[C@@]12C(=O)Nc1ccccc12 ZINC000364897851 555430178 /nfs/dbraw/zinc/43/01/78/555430178.db2.gz UFXOPFQEGRVKKY-MEDUHNTESA-N 1 2 371.334 2.249 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1Cc2ccccc2[C@@H](n2cccn2)C1 ZINC000365421500 555570916 /nfs/dbraw/zinc/57/09/16/555570916.db2.gz PRBVUUVHQIEIBC-ICSRJNTNSA-N 1 2 351.454 2.343 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1Cc2ccccc2[C@@H](n2cccn2)C1 ZINC000365421500 555570918 /nfs/dbraw/zinc/57/09/18/555570918.db2.gz PRBVUUVHQIEIBC-ICSRJNTNSA-N 1 2 351.454 2.343 20 30 FEEDLO Cn1cc(C#N)c(=NC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)[nH]1 ZINC000619727521 555827162 /nfs/dbraw/zinc/82/71/62/555827162.db2.gz CRGLYOWAABMLMG-CYBMUJFWSA-N 1 2 353.430 2.236 20 30 FEEDLO N#CCCn1cc(C[N@@H+]2CCO[C@H]3CCOC[C@@H]32)c(-c2ccccc2)n1 ZINC000366487260 555857816 /nfs/dbraw/zinc/85/78/16/555857816.db2.gz FWNDDIMXYRKCLW-OALUTQOASA-N 1 2 352.438 2.453 20 30 FEEDLO N#CCCn1cc(C[N@H+]2CCO[C@H]3CCOC[C@@H]32)c(-c2ccccc2)n1 ZINC000366487260 555857819 /nfs/dbraw/zinc/85/78/19/555857819.db2.gz FWNDDIMXYRKCLW-OALUTQOASA-N 1 2 352.438 2.453 20 30 FEEDLO CCCOc1cn(-c2ccccc2)nc1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000514604336 561969365 /nfs/dbraw/zinc/96/93/65/561969365.db2.gz DLLUVRDOTHOHFB-IBGZPJMESA-N 1 2 355.442 2.235 20 30 FEEDLO C#CCCS(=O)(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000367455463 556055192 /nfs/dbraw/zinc/05/51/92/556055192.db2.gz GTMIIDSFUPWWCD-SJORKVTESA-N 1 2 356.438 2.431 20 30 FEEDLO C#CCCS(=O)(=O)N[C@@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000367455463 556055196 /nfs/dbraw/zinc/05/51/96/556055196.db2.gz GTMIIDSFUPWWCD-SJORKVTESA-N 1 2 356.438 2.431 20 30 FEEDLO C#CC[C@H](Cc1ccccc1)NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000367865660 556158595 /nfs/dbraw/zinc/15/85/95/556158595.db2.gz PQJXSPJWWKYTIY-DFQSSKMNSA-N 1 2 355.482 2.126 20 30 FEEDLO Cc1nsc(N2CC[NH+](Cc3cccc4c3OCCO4)CC2)c1C#N ZINC000515334302 562005642 /nfs/dbraw/zinc/00/56/42/562005642.db2.gz ZHGRIPZMXWEQDD-UHFFFAOYSA-N 1 2 356.451 2.417 20 30 FEEDLO COc1ccc(C[N@@H+]2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)cc1C#N ZINC000369520829 556619026 /nfs/dbraw/zinc/61/90/26/556619026.db2.gz RPISFOQXVITKPW-IIBYNOLFSA-N 1 2 358.401 2.412 20 30 FEEDLO COc1ccc(C[N@H+]2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)cc1C#N ZINC000369520829 556619028 /nfs/dbraw/zinc/61/90/28/556619028.db2.gz RPISFOQXVITKPW-IIBYNOLFSA-N 1 2 358.401 2.412 20 30 FEEDLO Cc1nc(C[N@@H+](C)[C@@H]2CCCN(C(=O)c3cccc(C#N)c3)CC2)no1 ZINC000369891805 556722823 /nfs/dbraw/zinc/72/28/23/556722823.db2.gz HIPRSHKTNBFJDW-QGZVFWFLSA-N 1 2 353.426 2.376 20 30 FEEDLO Cc1nc(C[N@H+](C)[C@@H]2CCCN(C(=O)c3cccc(C#N)c3)CC2)no1 ZINC000369891805 556722827 /nfs/dbraw/zinc/72/28/27/556722827.db2.gz HIPRSHKTNBFJDW-QGZVFWFLSA-N 1 2 353.426 2.376 20 30 FEEDLO CN(CCCn1cc[nH+]c1)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 ZINC000369999427 556753897 /nfs/dbraw/zinc/75/38/97/556753897.db2.gz QYHGAIVSFACHHO-UHFFFAOYSA-N 1 2 367.388 2.634 20 30 FEEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCCC[C@@H]1c1nc(-c2ncccn2)no1 ZINC000370622258 556923397 /nfs/dbraw/zinc/92/33/97/556923397.db2.gz MESOVTOEXOURSK-OAHLLOKOSA-N 1 2 368.441 2.254 20 30 FEEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCCC[C@@H]1c1nc(-c2ncccn2)no1 ZINC000370622258 556923400 /nfs/dbraw/zinc/92/34/00/556923400.db2.gz MESOVTOEXOURSK-OAHLLOKOSA-N 1 2 368.441 2.254 20 30 FEEDLO CC(=O)c1cccc(NC(=O)C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000370730852 556951349 /nfs/dbraw/zinc/95/13/49/556951349.db2.gz QYZNLLJDWHFBQH-GOSISDBHSA-N 1 2 364.405 2.248 20 30 FEEDLO CC(=O)c1cccc(NC(=O)C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000370730852 556951350 /nfs/dbraw/zinc/95/13/50/556951350.db2.gz QYZNLLJDWHFBQH-GOSISDBHSA-N 1 2 364.405 2.248 20 30 FEEDLO N#Cc1cc(Cl)ccc1S(=O)(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000371019102 557047606 /nfs/dbraw/zinc/04/76/06/557047606.db2.gz PPKOAJYIQFWKOS-UHFFFAOYSA-N 1 2 373.825 2.271 20 30 FEEDLO N#Cc1cccc([C@H]2CN(C(=O)c3ccnc(-n4cc[nH+]c4)c3)CCO2)c1 ZINC000371358936 557159405 /nfs/dbraw/zinc/15/94/05/557159405.db2.gz FLHGLGUTLGSBDH-GOSISDBHSA-N 1 2 359.389 2.353 20 30 FEEDLO CC(C)NC(=O)NCC[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000518175047 562105715 /nfs/dbraw/zinc/10/57/15/562105715.db2.gz AZNLBOSVFXTYFY-KRWDZBQOSA-N 1 2 363.893 2.230 20 30 FEEDLO CN1CCN(C2CC[NH+](Cc3ccc(F)c(C#N)c3Cl)CC2)C(=O)C1 ZINC000373025487 557612045 /nfs/dbraw/zinc/61/20/45/557612045.db2.gz FIFKCDQCSDXCRA-UHFFFAOYSA-N 1 2 364.852 2.089 20 30 FEEDLO CC(C)NC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(C(C)(C)C#N)cc2)CC1 ZINC000373852096 557773078 /nfs/dbraw/zinc/77/30/78/557773078.db2.gz UIIHEMXSMFKERV-UHFFFAOYSA-N 1 2 370.497 2.160 20 30 FEEDLO CC(C)NC(=O)C[N@H+]1CCCN(C(=O)c2ccc(C(C)(C)C#N)cc2)CC1 ZINC000373852096 557773080 /nfs/dbraw/zinc/77/30/80/557773080.db2.gz UIIHEMXSMFKERV-UHFFFAOYSA-N 1 2 370.497 2.160 20 30 FEEDLO N#CCCSc1ccccc1NC(=O)C(=O)NCCCCn1cc[nH+]c1 ZINC000520846825 562164947 /nfs/dbraw/zinc/16/49/47/562164947.db2.gz LBPNLPSHCSCSPR-UHFFFAOYSA-N 1 2 371.466 2.424 20 30 FEEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCOC[C@H]1Cc1c[nH]c2ccccc12 ZINC000374147430 557831625 /nfs/dbraw/zinc/83/16/25/557831625.db2.gz VZUBZAFFGBQHCE-QGZVFWFLSA-N 1 2 354.454 2.173 20 30 FEEDLO CCN(CCC#N)C(=O)C[N@H+]1CCOC[C@H]1Cc1c[nH]c2ccccc12 ZINC000374147430 557831627 /nfs/dbraw/zinc/83/16/27/557831627.db2.gz VZUBZAFFGBQHCE-QGZVFWFLSA-N 1 2 354.454 2.173 20 30 FEEDLO N#Cc1cccc(CCNC(=O)N2CCC[N@H+](Cc3cscn3)CC2)c1 ZINC000374275146 557856431 /nfs/dbraw/zinc/85/64/31/557856431.db2.gz VUVGUGRZQQICEF-UHFFFAOYSA-N 1 2 369.494 2.475 20 30 FEEDLO N#Cc1cccc(CCNC(=O)N2CCC[N@@H+](Cc3cscn3)CC2)c1 ZINC000374275146 557856435 /nfs/dbraw/zinc/85/64/35/557856435.db2.gz VUVGUGRZQQICEF-UHFFFAOYSA-N 1 2 369.494 2.475 20 30 FEEDLO N#CC1(c2ccccn2)CC[NH+]([C@H]2CCN(CC(F)(F)F)C2=O)CC1 ZINC000374291288 557859026 /nfs/dbraw/zinc/85/90/26/557859026.db2.gz JOTMCWGBUPXBME-ZDUSSCGKSA-N 1 2 352.360 2.102 20 30 FEEDLO COc1ccc2c(c1)CC[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)CC2 ZINC000374352272 557870058 /nfs/dbraw/zinc/87/00/58/557870058.db2.gz CWNPVEKIRSMOGI-UHFFFAOYSA-N 1 2 370.474 2.441 20 30 FEEDLO COc1ccc2c(c1)CC[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)CC2 ZINC000374352272 557870060 /nfs/dbraw/zinc/87/00/60/557870060.db2.gz CWNPVEKIRSMOGI-UHFFFAOYSA-N 1 2 370.474 2.441 20 30 FEEDLO N#Cc1c(C[N@H+]2CCC[C@H]2C(=O)NCC2CCOCC2)cn2ccccc12 ZINC000374363396 557872029 /nfs/dbraw/zinc/87/20/29/557872029.db2.gz IAXUEINZLGPGBB-FQEVSTJZSA-N 1 2 366.465 2.318 20 30 FEEDLO N#Cc1c(C[N@@H+]2CCC[C@H]2C(=O)NCC2CCOCC2)cn2ccccc12 ZINC000374363396 557872030 /nfs/dbraw/zinc/87/20/30/557872030.db2.gz IAXUEINZLGPGBB-FQEVSTJZSA-N 1 2 366.465 2.318 20 30 FEEDLO CCOC(=O)[C@@H]1C[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)Cc2ccccc21 ZINC000374404987 557879872 /nfs/dbraw/zinc/87/98/72/557879872.db2.gz KRYQGXJCSSHYDZ-XLIONFOSSA-N 1 2 357.454 2.203 20 30 FEEDLO CCOC(=O)[C@@H]1C[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)Cc2ccccc21 ZINC000374404987 557879873 /nfs/dbraw/zinc/87/98/73/557879873.db2.gz KRYQGXJCSSHYDZ-XLIONFOSSA-N 1 2 357.454 2.203 20 30 FEEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000521108092 562169790 /nfs/dbraw/zinc/16/97/90/562169790.db2.gz RKMVOJBWIABCSB-OAHLLOKOSA-N 1 2 366.421 2.196 20 30 FEEDLO C=CCc1ccc(OC[C@H](O)CN2CCn3cc(C)[nH+]c3C2)c(OC)c1 ZINC000374658575 557913093 /nfs/dbraw/zinc/91/30/93/557913093.db2.gz GXVHFAIMXHIFJD-QGZVFWFLSA-N 1 2 357.454 2.184 20 30 FEEDLO Cc1noc(C2(C)CC[NH+]([C@@H]3CCN(c4sccc4C#N)C3=O)CC2)n1 ZINC000374755827 557926067 /nfs/dbraw/zinc/92/60/67/557926067.db2.gz UKYJRERLQJQBOM-CQSZACIVSA-N 1 2 371.466 2.470 20 30 FEEDLO COc1ccc2c(c1)OCC[N@@H+](CC(=O)NCc1ccc(C#N)cc1)C2 ZINC000374768459 557928391 /nfs/dbraw/zinc/92/83/91/557928391.db2.gz QNLBGHXIDNBLAT-UHFFFAOYSA-N 1 2 351.406 2.078 20 30 FEEDLO COc1ccc2c(c1)OCC[N@H+](CC(=O)NCc1ccc(C#N)cc1)C2 ZINC000374768459 557928393 /nfs/dbraw/zinc/92/83/93/557928393.db2.gz QNLBGHXIDNBLAT-UHFFFAOYSA-N 1 2 351.406 2.078 20 30 FEEDLO Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000521219611 562172059 /nfs/dbraw/zinc/17/20/59/562172059.db2.gz HUIIHKXBSUIAQT-SFHVURJKSA-N 1 2 354.458 2.347 20 30 FEEDLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N=c1[nH]n(C(C)(C)C)cc1C#N ZINC000375452749 558030013 /nfs/dbraw/zinc/03/00/13/558030013.db2.gz KUFIJTSTVJFOMW-UKRRQHHQSA-N 1 2 352.442 2.616 20 30 FEEDLO Cn1cc[nH+]c1[C@H](NC(=O)NCCc1cccc(C#N)c1)C1CCOCC1 ZINC000375699883 558069425 /nfs/dbraw/zinc/06/94/25/558069425.db2.gz CBNSSWKJBBPLEC-GOSISDBHSA-N 1 2 367.453 2.301 20 30 FEEDLO N#Cc1csc([C@@H]2NC(=[NH2+])Nc3nc4cc5c(cc4n32)OCCCO5)n1 ZINC000521802477 562183806 /nfs/dbraw/zinc/18/38/06/562183806.db2.gz MMUWBEQKTKNFEN-CYBMUJFWSA-N 1 2 367.394 2.023 20 30 FEEDLO N#Cc1csc([C@@H]2NC(=N)Nc3[nH+]c4cc5c(cc4n32)OCCCO5)n1 ZINC000521802477 562183807 /nfs/dbraw/zinc/18/38/07/562183807.db2.gz MMUWBEQKTKNFEN-CYBMUJFWSA-N 1 2 367.394 2.023 20 30 FEEDLO C=CC[C@H](CO)NC(=O)N[C@H]1CC[N@@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000376837107 558228095 /nfs/dbraw/zinc/22/80/95/558228095.db2.gz RLRVXGNIRFADAH-ISTRZQFTSA-N 1 2 371.403 2.475 20 30 FEEDLO C=CC[C@H](CO)NC(=O)N[C@H]1CC[N@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000376837107 558228096 /nfs/dbraw/zinc/22/80/96/558228096.db2.gz RLRVXGNIRFADAH-ISTRZQFTSA-N 1 2 371.403 2.475 20 30 FEEDLO Cc1ccc(N2CCC[C@@H](C(=O)N=c3[nH][nH]c(C4CC4)c3C#N)C2)[nH+]c1 ZINC000377127288 558272118 /nfs/dbraw/zinc/27/21/18/558272118.db2.gz ISYFZIDSMBMNHP-CQSZACIVSA-N 1 2 350.426 2.717 20 30 FEEDLO Cc1ccnc(N2CC[NH+]([C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)c1C#N ZINC000377157110 558278004 /nfs/dbraw/zinc/27/80/04/558278004.db2.gz CZERSLDRMKSCJB-MRXNPFEDSA-N 1 2 371.485 2.393 20 30 FEEDLO Cc1oc(NC(=O)C[N@@H+]2CCCN(c3cncc(F)c3)CC2)c(C#N)c1C ZINC000377242840 558297217 /nfs/dbraw/zinc/29/72/17/558297217.db2.gz TUALVBWGUKINEX-UHFFFAOYSA-N 1 2 371.416 2.453 20 30 FEEDLO Cc1oc(NC(=O)C[N@H+]2CCCN(c3cncc(F)c3)CC2)c(C#N)c1C ZINC000377242840 558297220 /nfs/dbraw/zinc/29/72/20/558297220.db2.gz TUALVBWGUKINEX-UHFFFAOYSA-N 1 2 371.416 2.453 20 30 FEEDLO C[N@@H+]1CCN(CC(=O)N(CCC#N)CCC#N)C[C@H]1c1ccccc1Cl ZINC000377527298 558357982 /nfs/dbraw/zinc/35/79/82/558357982.db2.gz ZONFTANIPAZLKW-SFHVURJKSA-N 1 2 373.888 2.284 20 30 FEEDLO C[N@H+]1CCN(CC(=O)N(CCC#N)CCC#N)C[C@H]1c1ccccc1Cl ZINC000377527298 558357984 /nfs/dbraw/zinc/35/79/84/558357984.db2.gz ZONFTANIPAZLKW-SFHVURJKSA-N 1 2 373.888 2.284 20 30 FEEDLO C[C@H](O)c1ncc(C[N@@H+]2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)s1 ZINC000377551156 558362231 /nfs/dbraw/zinc/36/22/31/558362231.db2.gz VKICFHNCEBMMCP-VNBZBWLYSA-N 1 2 354.435 2.042 20 30 FEEDLO C[C@H](O)c1ncc(C[N@H+]2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)s1 ZINC000377551156 558362234 /nfs/dbraw/zinc/36/22/34/558362234.db2.gz VKICFHNCEBMMCP-VNBZBWLYSA-N 1 2 354.435 2.042 20 30 FEEDLO N#CCCCS(=O)(=O)c1ccc(C(=O)NCCCCn2cc[nH+]c2)cc1 ZINC000523310665 562210826 /nfs/dbraw/zinc/21/08/26/562210826.db2.gz WSYRWWYUGTYJBB-UHFFFAOYSA-N 1 2 374.466 2.171 20 30 FEEDLO C=CCOCCNC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000378558764 558582806 /nfs/dbraw/zinc/58/28/06/558582806.db2.gz IYXGCMRBAQWDBH-IRXDYDNUSA-N 1 2 367.877 2.214 20 30 FEEDLO C=CCOCCNC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000378558764 558582809 /nfs/dbraw/zinc/58/28/09/558582809.db2.gz IYXGCMRBAQWDBH-IRXDYDNUSA-N 1 2 367.877 2.214 20 30 FEEDLO C[C@@H]1[C@H](C)N(S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)CC[N@H+]1C ZINC000408080078 558644515 /nfs/dbraw/zinc/64/45/15/558644515.db2.gz BCDAJOPZSXXLEQ-MNOVXSKESA-N 1 2 361.389 2.290 20 30 FEEDLO C[C@@H]1[C@H](C)N(S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)CC[N@@H+]1C ZINC000408080078 558644517 /nfs/dbraw/zinc/64/45/17/558644517.db2.gz BCDAJOPZSXXLEQ-MNOVXSKESA-N 1 2 361.389 2.290 20 30 FEEDLO C[C@@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)c1cccc(Br)c1C#N ZINC000408115020 558647691 /nfs/dbraw/zinc/64/76/91/558647691.db2.gz JXWAAZIHBAQEIE-WDEREUQCSA-N 1 2 372.288 2.034 20 30 FEEDLO C[C@@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)c1cccc(Br)c1C#N ZINC000408115020 558647693 /nfs/dbraw/zinc/64/76/93/558647693.db2.gz JXWAAZIHBAQEIE-WDEREUQCSA-N 1 2 372.288 2.034 20 30 FEEDLO CN(C(=O)C[N@@H+]1CCN(C(=O)C2CC2)CC1(C)C)C1(C#N)CCCCC1 ZINC000408121483 558648842 /nfs/dbraw/zinc/64/88/42/558648842.db2.gz NYQPZERJWIZMPA-UHFFFAOYSA-N 1 2 360.502 2.004 20 30 FEEDLO CN(C(=O)C[N@H+]1CCN(C(=O)C2CC2)CC1(C)C)C1(C#N)CCCCC1 ZINC000408121483 558648843 /nfs/dbraw/zinc/64/88/43/558648843.db2.gz NYQPZERJWIZMPA-UHFFFAOYSA-N 1 2 360.502 2.004 20 30 FEEDLO C[C@@](O)(C[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1)C(F)(F)F ZINC000410419689 558756285 /nfs/dbraw/zinc/75/62/85/558756285.db2.gz MVEHRPPXOTWVCD-OAHLLOKOSA-N 1 2 370.331 2.242 20 30 FEEDLO C=CC1CCN(C(=O)C(=O)Nc2ccccc2OCCn2cc[nH+]c2)CC1 ZINC000411222430 558855723 /nfs/dbraw/zinc/85/57/23/558855723.db2.gz WHQUYPAGMZAEHA-UHFFFAOYSA-N 1 2 368.437 2.325 20 30 FEEDLO COC(=O)c1cc(C[N@@H+]2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)cs1 ZINC000411398186 558887810 /nfs/dbraw/zinc/88/78/10/558887810.db2.gz BBICOFLPTDEZFV-DJJJIMSYSA-N 1 2 367.430 2.380 20 30 FEEDLO COC(=O)c1cc(C[N@H+]2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)cs1 ZINC000411398186 558887813 /nfs/dbraw/zinc/88/78/13/558887813.db2.gz BBICOFLPTDEZFV-DJJJIMSYSA-N 1 2 367.430 2.380 20 30 FEEDLO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCN(C)C(=O)[C@H]3C)sc2C1 ZINC000411570451 558919486 /nfs/dbraw/zinc/91/94/86/558919486.db2.gz NRRXBBWMZSNHIZ-CHWSQXEVSA-N 1 2 374.510 2.236 20 30 FEEDLO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCN(C)C(=O)[C@H]3C)sc2C1 ZINC000411570451 558919488 /nfs/dbraw/zinc/91/94/88/558919488.db2.gz NRRXBBWMZSNHIZ-CHWSQXEVSA-N 1 2 374.510 2.236 20 30 FEEDLO COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)C[C@@H](CC#N)c2ccccc2)C1 ZINC000412376705 559032052 /nfs/dbraw/zinc/03/20/52/559032052.db2.gz XOJKMZJLFJYBIL-FUHWJXTLSA-N 1 2 357.454 2.075 20 30 FEEDLO COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)C[C@@H](CC#N)c2ccccc2)C1 ZINC000412376705 559032053 /nfs/dbraw/zinc/03/20/53/559032053.db2.gz XOJKMZJLFJYBIL-FUHWJXTLSA-N 1 2 357.454 2.075 20 30 FEEDLO N#Cc1cnc(Nc2ccc(N3CCN(C(=O)C4CC4)CC3)[nH+]c2)c(F)c1 ZINC000413107724 559078872 /nfs/dbraw/zinc/07/88/72/559078872.db2.gz OIMSOIGFDMNSOD-UHFFFAOYSA-N 1 2 366.400 2.290 20 30 FEEDLO C[C@@H](NC(=O)c1ccc(C#N)c(O)c1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000527196049 562279830 /nfs/dbraw/zinc/27/98/30/562279830.db2.gz AOJUHVUINKMLBU-QRWLVFNGSA-N 1 2 365.433 2.283 20 30 FEEDLO C[C@@H](NC(=O)c1ccc(C#N)c(O)c1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000527196049 562279831 /nfs/dbraw/zinc/27/98/31/562279831.db2.gz AOJUHVUINKMLBU-QRWLVFNGSA-N 1 2 365.433 2.283 20 30 FEEDLO C[C@H](C#N)S(=O)(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000416387147 559309221 /nfs/dbraw/zinc/30/92/21/559309221.db2.gz JJRDAKMFQGXBHS-BXUZGUMPSA-N 1 2 359.854 2.275 20 30 FEEDLO C[C@H](C#N)S(=O)(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000416387147 559309222 /nfs/dbraw/zinc/30/92/22/559309222.db2.gz JJRDAKMFQGXBHS-BXUZGUMPSA-N 1 2 359.854 2.275 20 30 FEEDLO Cc1[nH+]c2cc(CNS(=O)(=O)N(C)C[C@H](C)C#N)ccc2n1C1CC1 ZINC000416482372 559316411 /nfs/dbraw/zinc/31/64/11/559316411.db2.gz YCIJVYTVXYEBDA-GFCCVEGCSA-N 1 2 361.471 2.106 20 30 FEEDLO C=CCOc1ccc(C[N@H+]2CCC[C@@H]2C(=O)NCC(=O)OC)cc1Cl ZINC000418119558 559390872 /nfs/dbraw/zinc/39/08/72/559390872.db2.gz GPUGYLVFFSUROC-OAHLLOKOSA-N 1 2 366.845 2.158 20 30 FEEDLO C=CCOc1ccc(C[N@@H+]2CCC[C@@H]2C(=O)NCC(=O)OC)cc1Cl ZINC000418119558 559390873 /nfs/dbraw/zinc/39/08/73/559390873.db2.gz GPUGYLVFFSUROC-OAHLLOKOSA-N 1 2 366.845 2.158 20 30 FEEDLO CC[N@H+](CCOc1ccccc1C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000420970374 559515519 /nfs/dbraw/zinc/51/55/19/559515519.db2.gz FMYYOAHSKSVWBM-UHFFFAOYSA-N 1 2 373.478 2.436 20 30 FEEDLO CC[N@@H+](CCOc1ccccc1C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000420970374 559515520 /nfs/dbraw/zinc/51/55/20/559515520.db2.gz FMYYOAHSKSVWBM-UHFFFAOYSA-N 1 2 373.478 2.436 20 30 FEEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000422524646 559592808 /nfs/dbraw/zinc/59/28/08/559592808.db2.gz GFAHIPGZOBXZGC-SFHVURJKSA-N 1 2 366.465 2.419 20 30 FEEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000422524646 559592809 /nfs/dbraw/zinc/59/28/09/559592809.db2.gz GFAHIPGZOBXZGC-SFHVURJKSA-N 1 2 366.465 2.419 20 30 FEEDLO Cc1cc(N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)c(C#N)c[nH+]1 ZINC000425203190 559691157 /nfs/dbraw/zinc/69/11/57/559691157.db2.gz DTPZFLYYSIAZAW-UHFFFAOYSA-N 1 2 357.395 2.194 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccc(-c2ccccn2)nc1 ZINC000425424754 559701578 /nfs/dbraw/zinc/70/15/78/559701578.db2.gz PTLAXGIZBCNIQD-UHFFFAOYSA-N 1 2 351.454 2.191 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000425465052 559703609 /nfs/dbraw/zinc/70/36/09/559703609.db2.gz MCVXWUOHCXBHQT-MAZHCROVSA-N 1 2 353.413 2.458 20 30 FEEDLO COC(=O)c1cnc([C@H](C)[NH2+][C@@H]2CCN(c3ccc(C#N)cc3)C2=O)s1 ZINC000425478186 559704516 /nfs/dbraw/zinc/70/45/16/559704516.db2.gz CARQZWATHBYDJV-SMDDNHRTSA-N 1 2 370.434 2.257 20 30 FEEDLO C=CCc1ccc(OC[C@H](O)C[N@H+]2CCCC[C@@H]2C(=O)OC)c(OC)c1 ZINC000426846056 559742847 /nfs/dbraw/zinc/74/28/47/559742847.db2.gz REJABRVGASBJNE-IAGOWNOFSA-N 1 2 363.454 2.191 20 30 FEEDLO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCCC[C@@H]2C(=O)OC)c(OC)c1 ZINC000426846056 559742848 /nfs/dbraw/zinc/74/28/48/559742848.db2.gz REJABRVGASBJNE-IAGOWNOFSA-N 1 2 363.454 2.191 20 30 FEEDLO CC(C)N(CC(F)(F)F)C(=O)C[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000428792335 559783532 /nfs/dbraw/zinc/78/35/32/559783532.db2.gz HWNVFOKHCGFPCP-CQSZACIVSA-N 1 2 370.375 2.206 20 30 FEEDLO CC(C)N(CC(F)(F)F)C(=O)C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000428792335 559783533 /nfs/dbraw/zinc/78/35/33/559783533.db2.gz HWNVFOKHCGFPCP-CQSZACIVSA-N 1 2 370.375 2.206 20 30 FEEDLO COC(=O)C[C@@](C)([NH2+]CC(=O)Nc1oc(C)c(C)c1C#N)c1ccccn1 ZINC000429670424 559803685 /nfs/dbraw/zinc/80/36/85/559803685.db2.gz KKMCXXIQTXSBPL-LJQANCHMSA-N 1 2 370.409 2.170 20 30 FEEDLO Cn1ncc(Br)c1C[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000430188806 559815180 /nfs/dbraw/zinc/81/51/80/559815180.db2.gz UFTVNGUTNNTZBI-GFCCVEGCSA-N 1 2 362.231 2.103 20 30 FEEDLO Cn1ncc(Br)c1C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000430188806 559815181 /nfs/dbraw/zinc/81/51/81/559815181.db2.gz UFTVNGUTNNTZBI-GFCCVEGCSA-N 1 2 362.231 2.103 20 30 FEEDLO C=CCC(C)(C)CNC(=O)N1CC[NH+](CC(=O)N2CCCC[C@H]2C)CC1 ZINC000432578450 559861198 /nfs/dbraw/zinc/86/11/98/559861198.db2.gz ZWFPKVQFEMMREO-QGZVFWFLSA-N 1 2 364.534 2.317 20 30 FEEDLO C[C@H]([NH2+]CC(=O)Nc1cccc(C#N)c1)c1ncc(Br)cn1 ZINC000432996255 559869605 /nfs/dbraw/zinc/86/96/05/559869605.db2.gz ZIULMBVIAPOGBH-JTQLQIEISA-N 1 2 360.215 2.400 20 30 FEEDLO N#Cc1cccc(C2(C(=O)NCc3ccc(N4CCOCC4)[nH+]c3)CC2)c1 ZINC000435035965 559914700 /nfs/dbraw/zinc/91/47/00/559914700.db2.gz JOKXXTZXRJXWRH-UHFFFAOYSA-N 1 2 362.433 2.138 20 30 FEEDLO Cc1[nH+]c2ccccc2n1CCNS(=O)(=O)c1ccc(F)cc1C#N ZINC000443093115 560070326 /nfs/dbraw/zinc/07/03/26/560070326.db2.gz IKQQKLSHYBIOTB-UHFFFAOYSA-N 1 2 358.398 2.334 20 30 FEEDLO Cc1cc(C)c(C(=O)NC2CC[NH+](CC(=O)N[C@@](C)(C#N)C(C)C)CC2)o1 ZINC000527575131 562295767 /nfs/dbraw/zinc/29/57/67/562295767.db2.gz CBUDXOPBFQTUMF-FQEVSTJZSA-N 1 2 374.485 2.145 20 30 FEEDLO CC1(C)CCCN(CC(=O)N2CC[NH+](Cc3cccs3)CC2)[C@@H]1C#N ZINC000444720468 560118809 /nfs/dbraw/zinc/11/88/09/560118809.db2.gz PFBUMPMLSDUHLP-QGZVFWFLSA-N 1 2 360.527 2.406 20 30 FEEDLO CCN(CCC#N)C(=O)Nc1ccccc1C[NH+]1CCN(C(C)=O)CC1 ZINC000444951438 560125448 /nfs/dbraw/zinc/12/54/48/560125448.db2.gz PYTHVCNBIDBOOZ-UHFFFAOYSA-N 1 2 357.458 2.118 20 30 FEEDLO CC1(C)C[N@H+](CCNC(=O)c2ccc(Br)cc2C#N)CCO1 ZINC000448860885 560203462 /nfs/dbraw/zinc/20/34/62/560203462.db2.gz QULKNNOZFGZEEA-UHFFFAOYSA-N 1 2 366.259 2.161 20 30 FEEDLO CC1(C)C[N@@H+](CCNC(=O)c2ccc(Br)cc2C#N)CCO1 ZINC000448860885 560203463 /nfs/dbraw/zinc/20/34/63/560203463.db2.gz QULKNNOZFGZEEA-UHFFFAOYSA-N 1 2 366.259 2.161 20 30 FEEDLO N#CCC1(CS(=O)(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)CC1 ZINC000451012132 560282325 /nfs/dbraw/zinc/28/23/25/560282325.db2.gz VZRXFIPZVIAXFP-UHFFFAOYSA-N 1 2 365.474 2.357 20 30 FEEDLO N#CCC1(CS(=O)(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)CC1 ZINC000451012132 560282326 /nfs/dbraw/zinc/28/23/26/560282326.db2.gz VZRXFIPZVIAXFP-UHFFFAOYSA-N 1 2 365.474 2.357 20 30 FEEDLO N#CCC1(CS(=O)(=O)NCCc2[nH+]ccn2Cc2ccccc2)CC1 ZINC000451024020 560282982 /nfs/dbraw/zinc/28/29/82/560282982.db2.gz GYDVHDDTCJMMLV-UHFFFAOYSA-N 1 2 358.467 2.087 20 30 FEEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+](C)C(C)(C)C(N)=O)c1C#N ZINC000451134150 560289062 /nfs/dbraw/zinc/28/90/62/560289062.db2.gz GSCJSQGMEIOVQY-UHFFFAOYSA-N 1 2 359.474 2.226 20 30 FEEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+](C)C(C)(C)C(N)=O)c1C#N ZINC000451134150 560289063 /nfs/dbraw/zinc/28/90/63/560289063.db2.gz GSCJSQGMEIOVQY-UHFFFAOYSA-N 1 2 359.474 2.226 20 30 FEEDLO N#CCc1ccc(S(=O)(=O)NC[C@@H]2CCCn3cc[nH+]c32)c(Cl)c1 ZINC000451344358 560301730 /nfs/dbraw/zinc/30/17/30/560301730.db2.gz QQFAHTGROXDCHL-ZDUSSCGKSA-N 1 2 364.858 2.458 20 30 FEEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CC[C@@](O)(C(F)F)C1 ZINC000451428528 560306389 /nfs/dbraw/zinc/30/63/89/560306389.db2.gz KQPGZYDHKHKSSQ-FVMDXXJSSA-N 1 2 355.410 2.137 20 30 FEEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CC[C@@](O)(C(F)F)C1 ZINC000451428528 560306390 /nfs/dbraw/zinc/30/63/90/560306390.db2.gz KQPGZYDHKHKSSQ-FVMDXXJSSA-N 1 2 355.410 2.137 20 30 FEEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1CC[C@](O)(C(F)F)C1 ZINC000451430257 560306605 /nfs/dbraw/zinc/30/66/05/560306605.db2.gz MDLLRPMLTNCJAB-FZKQIMNGSA-N 1 2 367.396 2.032 20 30 FEEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+]1CC[C@](O)(C(F)F)C1 ZINC000451430257 560306606 /nfs/dbraw/zinc/30/66/06/560306606.db2.gz MDLLRPMLTNCJAB-FZKQIMNGSA-N 1 2 367.396 2.032 20 30 FEEDLO CC[C@H]1C[N@H+](CCNC(=O)c2ccc(Br)cc2C#N)CCO1 ZINC000451473910 560309042 /nfs/dbraw/zinc/30/90/42/560309042.db2.gz YCJCBJVCPCVKMP-AWEZNQCLSA-N 1 2 366.259 2.161 20 30 FEEDLO CC[C@H]1C[N@@H+](CCNC(=O)c2ccc(Br)cc2C#N)CCO1 ZINC000451473910 560309043 /nfs/dbraw/zinc/30/90/43/560309043.db2.gz YCJCBJVCPCVKMP-AWEZNQCLSA-N 1 2 366.259 2.161 20 30 FEEDLO Cc1sc(NC(=O)C[N@@H+]2CC[C@@H]([C@H](O)C(F)(F)F)C2)c(C#N)c1C ZINC000451883431 560334512 /nfs/dbraw/zinc/33/45/12/560334512.db2.gz FAMSRBUQTNZZLC-MFKMUULPSA-N 1 2 361.389 2.420 20 30 FEEDLO Cc1sc(NC(=O)C[N@H+]2CC[C@@H]([C@H](O)C(F)(F)F)C2)c(C#N)c1C ZINC000451883431 560334513 /nfs/dbraw/zinc/33/45/13/560334513.db2.gz FAMSRBUQTNZZLC-MFKMUULPSA-N 1 2 361.389 2.420 20 30 FEEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H]([C@@H](O)C(F)(F)F)C2)c(C#N)c1C ZINC000451899439 560335828 /nfs/dbraw/zinc/33/58/28/560335828.db2.gz ZBFDNBLDXGPSNP-UFGOTCBOSA-N 1 2 359.348 2.340 20 30 FEEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CC[C@@H]([C@@H](O)C(F)(F)F)C2)c(C#N)c1C ZINC000451899439 560335829 /nfs/dbraw/zinc/33/58/29/560335829.db2.gz ZBFDNBLDXGPSNP-UFGOTCBOSA-N 1 2 359.348 2.340 20 30 FEEDLO Cn1ccnc1[C@@H]1[N@H+](C[C@@H](O)COc2ccc(CC#N)cc2)CC1(C)C ZINC000453023739 560381401 /nfs/dbraw/zinc/38/14/01/560381401.db2.gz RPZCYRABRPOVRE-AEFFLSMTSA-N 1 2 354.454 2.309 20 30 FEEDLO Cn1ccnc1[C@@H]1[N@@H+](C[C@@H](O)COc2ccc(CC#N)cc2)CC1(C)C ZINC000453023739 560381402 /nfs/dbraw/zinc/38/14/02/560381402.db2.gz RPZCYRABRPOVRE-AEFFLSMTSA-N 1 2 354.454 2.309 20 30 FEEDLO Cn1cc[nH+]c1[C@@H]1N(C[C@@H](O)COc2ccc(CC#N)cc2)CC1(C)C ZINC000453023739 560381403 /nfs/dbraw/zinc/38/14/03/560381403.db2.gz RPZCYRABRPOVRE-AEFFLSMTSA-N 1 2 354.454 2.309 20 30 FEEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)C(=O)Nc1ccc(C#N)c(C)n1 ZINC000453729176 560400055 /nfs/dbraw/zinc/40/00/55/560400055.db2.gz GVZJTHTZSNUPAN-HNNXBMFYSA-N 1 2 366.425 2.170 20 30 FEEDLO Cc1c(C#N)cccc1NC(=O)C(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C ZINC000453821341 560406116 /nfs/dbraw/zinc/40/61/16/560406116.db2.gz BAQUKZWJDANDFM-OAHLLOKOSA-N 1 2 351.410 2.148 20 30 FEEDLO Cc1cc(C)c(CNC(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)c[nH+]1 ZINC000454024012 560422762 /nfs/dbraw/zinc/42/27/62/560422762.db2.gz GOOJUXXGCYUOFD-UHFFFAOYSA-N 1 2 353.426 2.382 20 30 FEEDLO C=CCC[C@@H](CO)NC(=O)C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000454050069 560424982 /nfs/dbraw/zinc/42/49/82/560424982.db2.gz DGUNAAWZYHZMRI-HNNXBMFYSA-N 1 2 370.453 2.145 20 30 FEEDLO C=CC(C)(C)CNC(=O)N[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C ZINC000454929736 560463809 /nfs/dbraw/zinc/46/38/09/560463809.db2.gz QSDCWSWIVRNXII-RHSMWYFYSA-N 1 2 359.474 2.126 20 30 FEEDLO CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 ZINC000456104429 560507092 /nfs/dbraw/zinc/50/70/92/560507092.db2.gz GCJUTMHQXMVDNQ-INIZCTEOSA-N 1 2 369.425 2.145 20 30 FEEDLO CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 ZINC000456104429 560507093 /nfs/dbraw/zinc/50/70/93/560507093.db2.gz GCJUTMHQXMVDNQ-INIZCTEOSA-N 1 2 369.425 2.145 20 30 FEEDLO C=C(C)[C@@H](CC(=O)N(CC[NH+]1CCOCC1)Cc1ccco1)OCC ZINC000456982869 560542238 /nfs/dbraw/zinc/54/22/38/560542238.db2.gz GWCFCQJJZTWMKU-GOSISDBHSA-N 1 2 350.459 2.312 20 30 FEEDLO CC(C)O[C@H]1C[C@@H](NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000459200598 560673716 /nfs/dbraw/zinc/67/37/16/560673716.db2.gz VCLVYIXYLNCMQK-KDURUIRLSA-N 1 2 356.470 2.341 20 30 FEEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1C[C@@H]2C[C@H]1CS2 ZINC000459787257 560708264 /nfs/dbraw/zinc/70/82/64/560708264.db2.gz DAJIIPGTPHXNTK-GJZGRUSLSA-N 1 2 362.499 2.141 20 30 FEEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1C[C@@H]2C[C@H]1CS2 ZINC000459787257 560708265 /nfs/dbraw/zinc/70/82/65/560708265.db2.gz DAJIIPGTPHXNTK-GJZGRUSLSA-N 1 2 362.499 2.141 20 30 FEEDLO C=C[C@H](CO)NC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000460179037 560737228 /nfs/dbraw/zinc/73/72/28/560737228.db2.gz XBRVQSPIALBVMF-DOMZBBRYSA-N 1 2 355.841 2.462 20 30 FEEDLO CCC(CC)[C@H](C(=O)NCc1ccc(C#N)c(OC)c1)[NH+]1CCOCC1 ZINC000460572129 560746501 /nfs/dbraw/zinc/74/65/01/560746501.db2.gz IEDFXLIPRNVARZ-LJQANCHMSA-N 1 2 359.470 2.320 20 30 FEEDLO C=C[C@H](CO)NC(=O)N[C@H]1CC[N@@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000460876661 560754045 /nfs/dbraw/zinc/75/40/45/560754045.db2.gz AYBUVHYGVDXUSO-WPGHFRTFSA-N 1 2 357.376 2.085 20 30 FEEDLO C=C[C@H](CO)NC(=O)N[C@H]1CC[N@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000460876661 560754046 /nfs/dbraw/zinc/75/40/46/560754046.db2.gz AYBUVHYGVDXUSO-WPGHFRTFSA-N 1 2 357.376 2.085 20 30 FEEDLO CC(C)(C)CN1CCC[C@H]([NH+]2CCN(c3cccc(C#N)n3)CC2)C1=O ZINC000461371029 560768719 /nfs/dbraw/zinc/76/87/19/560768719.db2.gz GZJCQQYDBFTJAW-KRWDZBQOSA-N 1 2 355.486 2.112 20 30 FEEDLO COc1cc(CNC(=O)N[C@H]2CCO[C@@H](c3c[nH+]cn3C)C2)ccc1C#N ZINC000462473141 560811446 /nfs/dbraw/zinc/81/14/46/560811446.db2.gz NHFCBVLHBLHAFZ-MAUKXSAKSA-N 1 2 369.425 2.020 20 30 FEEDLO C[C@H](CNS(=O)(=O)c1c(F)cc(C#N)cc1F)[N@@H+]1CCCC[C@H]1C ZINC000467156777 560905142 /nfs/dbraw/zinc/90/51/42/560905142.db2.gz CFXFSSRZIOTLPE-VXGBXAGGSA-N 1 2 357.426 2.378 20 30 FEEDLO C[C@H](CNS(=O)(=O)c1c(F)cc(C#N)cc1F)[N@H+]1CCCC[C@H]1C ZINC000467156777 560905143 /nfs/dbraw/zinc/90/51/43/560905143.db2.gz CFXFSSRZIOTLPE-VXGBXAGGSA-N 1 2 357.426 2.378 20 30 FEEDLO CC[N@H+](CC(=O)Nc1c(F)cccc1F)[C@H](C)C(=O)NC1(C#N)CCC1 ZINC000469120115 560947642 /nfs/dbraw/zinc/94/76/42/560947642.db2.gz ZEVNLIZZRUTYOH-GFCCVEGCSA-N 1 2 364.396 2.176 20 30 FEEDLO CC[N@@H+](CC(=O)Nc1c(F)cccc1F)[C@H](C)C(=O)NC1(C#N)CCC1 ZINC000469120115 560947643 /nfs/dbraw/zinc/94/76/43/560947643.db2.gz ZEVNLIZZRUTYOH-GFCCVEGCSA-N 1 2 364.396 2.176 20 30 FEEDLO C=CCOCCC[NH+]1CCN(S(=O)(=O)c2cc(C)sc2C)CC1 ZINC000470764879 560989091 /nfs/dbraw/zinc/98/90/91/560989091.db2.gz IWBCSUMXCYLSAA-UHFFFAOYSA-N 1 2 358.529 2.264 20 30 FEEDLO N#CCCCN1C(=O)CCc2cc(NC(=O)CCn3cc[nH+]c3)ccc21 ZINC000470790040 560989633 /nfs/dbraw/zinc/98/96/33/560989633.db2.gz PBGPDTAOWQKRGE-UHFFFAOYSA-N 1 2 351.410 2.495 20 30 FEEDLO C=C(C)C[N@@H+](CC(=O)N(CC)[C@H]1CCS(=O)(=O)C1)Cc1ccccc1 ZINC000470907505 560993400 /nfs/dbraw/zinc/99/34/00/560993400.db2.gz SHAGUJKEZLEXPK-SFHVURJKSA-N 1 2 364.511 2.100 20 30 FEEDLO C=C(C)C[N@H+](CC(=O)N(CC)[C@H]1CCS(=O)(=O)C1)Cc1ccccc1 ZINC000470907505 560993401 /nfs/dbraw/zinc/99/34/01/560993401.db2.gz SHAGUJKEZLEXPK-SFHVURJKSA-N 1 2 364.511 2.100 20 30 FEEDLO N#C[C@@H](c1cccc(Cl)c1)N1CCN(CCC[NH+]2CCOCC2)CC1 ZINC000471005672 560996242 /nfs/dbraw/zinc/99/62/42/560996242.db2.gz HRQJONLHRAFGKE-IBGZPJMESA-N 1 2 362.905 2.245 20 30 FEEDLO Cc1nn(C)c(N2CC[NH+](Cc3ccc(C#N)cc3Cl)CC2)c1C#N ZINC000472157738 561019776 /nfs/dbraw/zinc/01/97/76/561019776.db2.gz OIVVTKDKDFFMKJ-UHFFFAOYSA-N 1 2 354.845 2.447 20 30 FEEDLO C=C(C)COCCNC(=O)N[C@H](C[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000474797955 561083047 /nfs/dbraw/zinc/08/30/47/561083047.db2.gz IBFVDMBISMGIEW-LJQANCHMSA-N 1 2 361.486 2.260 20 30 FEEDLO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000475306176 561094560 /nfs/dbraw/zinc/09/45/60/561094560.db2.gz VYELDPYRYWCUSV-INIZCTEOSA-N 1 2 373.497 2.314 20 30 FEEDLO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000475306176 561094561 /nfs/dbraw/zinc/09/45/61/561094561.db2.gz VYELDPYRYWCUSV-INIZCTEOSA-N 1 2 373.497 2.314 20 30 FEEDLO N#Cc1ccc(Cl)c(NC(=O)C(=O)NCc2ccn3cc[nH+]c3c2)c1 ZINC000475459678 561097812 /nfs/dbraw/zinc/09/78/12/561097812.db2.gz CFYPREYKCISTRI-UHFFFAOYSA-N 1 2 353.769 2.114 20 30 FEEDLO N#Cc1cccc(CC(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)c1 ZINC000531153439 562436525 /nfs/dbraw/zinc/43/65/25/562436525.db2.gz ZBMVFEGBWMIDRS-NRFANRHFSA-N 1 2 363.461 2.160 20 30 FEEDLO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000531245803 562439419 /nfs/dbraw/zinc/43/94/19/562439419.db2.gz PWRWQZVTZAMZKM-QGZVFWFLSA-N 1 2 358.486 2.447 20 30 FEEDLO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000531245803 562439420 /nfs/dbraw/zinc/43/94/20/562439420.db2.gz PWRWQZVTZAMZKM-QGZVFWFLSA-N 1 2 358.486 2.447 20 30 FEEDLO N#Cc1cccc(CC(=O)NC[C@@H](c2cccs2)[NH+]2CCOCC2)c1 ZINC000531386015 562444280 /nfs/dbraw/zinc/44/42/80/562444280.db2.gz GEYKDWAJNDABHL-KRWDZBQOSA-N 1 2 355.463 2.352 20 30 FEEDLO N#Cc1cccc(S(=O)(=O)CC[NH+]2CCC(Oc3ccccn3)CC2)c1 ZINC000532826685 562489919 /nfs/dbraw/zinc/48/99/19/562489919.db2.gz WKMZOMHMRAQAOZ-UHFFFAOYSA-N 1 2 371.462 2.270 20 30 FEEDLO C=C1CC[NH+]([C@H](C)C(=O)Nc2cc(C(=O)OC)ccc2C(=O)OC)CC1 ZINC000533418295 562508405 /nfs/dbraw/zinc/50/84/05/562508405.db2.gz JLMQXLLXDICXBX-CYBMUJFWSA-N 1 2 360.410 2.239 20 30 FEEDLO Cc1cc[nH+]cc1N1CCN(CC(=O)N(CCC#N)c2ccccc2)CC1 ZINC000534646386 562539144 /nfs/dbraw/zinc/53/91/44/562539144.db2.gz XOKQBNVCNYGQHS-UHFFFAOYSA-N 1 2 363.465 2.459 20 30 FEEDLO C[N@H+]1Cc2ccccc2[C@@H](NS(=O)(=O)c2c(F)cc(C#N)cc2F)C1 ZINC000535266174 562554666 /nfs/dbraw/zinc/55/46/66/562554666.db2.gz OJSRKCAOEDIFND-INIZCTEOSA-N 1 2 363.389 2.301 20 30 FEEDLO C[N@@H+]1Cc2ccccc2[C@@H](NS(=O)(=O)c2c(F)cc(C#N)cc2F)C1 ZINC000535266174 562554667 /nfs/dbraw/zinc/55/46/67/562554667.db2.gz OJSRKCAOEDIFND-INIZCTEOSA-N 1 2 363.389 2.301 20 30 FEEDLO C=CCSCCNC(=O)NC[C@H](c1cccs1)[NH+]1CCN(C)CC1 ZINC000541887614 562622091 /nfs/dbraw/zinc/62/20/91/562622091.db2.gz SXICPQLYDXJEQA-OAHLLOKOSA-N 1 2 368.572 2.255 20 30 FEEDLO COc1ccccc1NC(=O)[C@H](C)[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000546210504 562635167 /nfs/dbraw/zinc/63/51/67/562635167.db2.gz SQXDKPXLGGGPDB-HNNXBMFYSA-N 1 2 365.437 2.111 20 30 FEEDLO N#CCN(C(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1)C1CCCC1 ZINC000549763133 562639153 /nfs/dbraw/zinc/63/91/53/562639153.db2.gz HPBYFFUIWRFOKD-GOSISDBHSA-N 1 2 371.485 2.312 20 30 FEEDLO N#CCN(C(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1)C1CCCC1 ZINC000549763133 562639154 /nfs/dbraw/zinc/63/91/54/562639154.db2.gz HPBYFFUIWRFOKD-GOSISDBHSA-N 1 2 371.485 2.312 20 30 FEEDLO CC(C)[NH+]1CCN(S(=O)(=O)c2cc(Br)ccc2C#N)CC1 ZINC000555948164 674382823 /nfs/dbraw/zinc/38/28/23/674382823.db2.gz XPTQRUFZUYHBIC-UHFFFAOYSA-N 1 2 372.288 2.035 20 30 FEEDLO CC(C)(C)c1csc(NC(=O)C(=O)N2CCn3c[nH+]cc3C2)c1C#N ZINC000556248007 674393424 /nfs/dbraw/zinc/39/34/24/674393424.db2.gz BVYHAWWBOHEXQW-UHFFFAOYSA-N 1 2 357.439 2.095 20 30 FEEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602854819 568002132 /nfs/dbraw/zinc/00/21/32/568002132.db2.gz DVIQRLLNKHFAGL-BRWVUGGUSA-N 1 2 371.460 2.379 20 30 FEEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602858476 568003099 /nfs/dbraw/zinc/00/30/99/568003099.db2.gz BJUOMPAVZGQKMF-HZSPNIEDSA-N 1 2 359.861 2.457 20 30 FEEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602858476 568003100 /nfs/dbraw/zinc/00/31/00/568003100.db2.gz BJUOMPAVZGQKMF-HZSPNIEDSA-N 1 2 359.861 2.457 20 30 FEEDLO C=CCCn1cc(C[N@H+]2CC[C@@](COC)(C(=O)OC(C)(C)C)C2)nn1 ZINC000602736772 568026222 /nfs/dbraw/zinc/02/62/22/568026222.db2.gz QCGDLTIOCUESGF-GOSISDBHSA-N 1 2 350.463 2.034 20 30 FEEDLO C=CCCn1cc(C[N@@H+]2CC[C@@](COC)(C(=O)OC(C)(C)C)C2)nn1 ZINC000602736772 568026223 /nfs/dbraw/zinc/02/62/23/568026223.db2.gz QCGDLTIOCUESGF-GOSISDBHSA-N 1 2 350.463 2.034 20 30 FEEDLO COc1cc2c(cc1OC)CN(C(=O)C[N@H+](C)[C@@H]1CCC[C@H]1C#N)CC2 ZINC000602974841 568035324 /nfs/dbraw/zinc/03/53/24/568035324.db2.gz VAYAAUMXDKYGNC-DOTOQJQBSA-N 1 2 357.454 2.213 20 30 FEEDLO COc1cc2c(cc1OC)CN(C(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1C#N)CC2 ZINC000602974841 568035327 /nfs/dbraw/zinc/03/53/27/568035327.db2.gz VAYAAUMXDKYGNC-DOTOQJQBSA-N 1 2 357.454 2.213 20 30 FEEDLO C[N@H+](CC(=O)NCC1(c2ccccc2)CCOCC1)[C@H]1CCC[C@@H]1C#N ZINC000602975425 568035836 /nfs/dbraw/zinc/03/58/36/568035836.db2.gz ASVPGJIRQZHVMQ-MJGOQNOKSA-N 1 2 355.482 2.475 20 30 FEEDLO C[N@@H+](CC(=O)NCC1(c2ccccc2)CCOCC1)[C@H]1CCC[C@@H]1C#N ZINC000602975425 568035838 /nfs/dbraw/zinc/03/58/38/568035838.db2.gz ASVPGJIRQZHVMQ-MJGOQNOKSA-N 1 2 355.482 2.475 20 30 FEEDLO C[N@H+](CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)[C@@H]1CCC[C@H]1C#N ZINC000602981085 568037123 /nfs/dbraw/zinc/03/71/23/568037123.db2.gz ZKLDEEMLCQFYJH-GVDBMIGSSA-N 1 2 371.510 2.081 20 30 FEEDLO C[N@@H+](CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)[C@@H]1CCC[C@H]1C#N ZINC000602981085 568037124 /nfs/dbraw/zinc/03/71/24/568037124.db2.gz ZKLDEEMLCQFYJH-GVDBMIGSSA-N 1 2 371.510 2.081 20 30 FEEDLO COc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000568710442 568136997 /nfs/dbraw/zinc/13/69/97/568136997.db2.gz SPWSYGLAMRJEOE-ZBFHGGJFSA-N 1 2 366.421 2.442 20 30 FEEDLO COc1ccccc1NC(=O)[C@@H](C)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000568710442 568136998 /nfs/dbraw/zinc/13/69/98/568136998.db2.gz SPWSYGLAMRJEOE-ZBFHGGJFSA-N 1 2 366.421 2.442 20 30 FEEDLO CC(C)(C)c1csc(NC(=O)C(=O)N2CC[NH+](C3CC3)CC2)c1C#N ZINC000569026210 568275271 /nfs/dbraw/zinc/27/52/71/568275271.db2.gz KMVWTRIRAOYGHC-UHFFFAOYSA-N 1 2 360.483 2.162 20 30 FEEDLO CC(C)[C@@H](C#N)N1CC[NH+]([C@H](C)C(=O)N2CCc3sccc3C2)CC1 ZINC000609485176 568343631 /nfs/dbraw/zinc/34/36/31/568343631.db2.gz KUOYXCVXIUGSHD-NVXWUHKLSA-N 1 2 360.527 2.187 20 30 FEEDLO N#Cc1cccc(F)c1CC(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000569372876 568396803 /nfs/dbraw/zinc/39/68/03/568396803.db2.gz MDZFYFHBUGOQHA-UHFFFAOYSA-N 1 2 353.397 2.290 20 30 FEEDLO C=CCOc1c(Br)cc(C[NH2+]Cc2cnn(C)n2)cc1OC ZINC000808417067 674458531 /nfs/dbraw/zinc/45/85/31/674458531.db2.gz CAACJUQPLOTJAT-UHFFFAOYSA-N 1 2 367.247 2.441 20 30 FEEDLO Cn1cc(C[NH+]2CCN(Cc3ccc(Br)cc3C#N)CC2)cn1 ZINC000558095503 674483015 /nfs/dbraw/zinc/48/30/15/674483015.db2.gz IFZAOIXTWMACLS-UHFFFAOYSA-N 1 2 374.286 2.372 20 30 FEEDLO C=CC[N@@H+](CCCS(=O)(=O)C(C)C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000819744063 606965326 /nfs/dbraw/zinc/96/53/26/606965326.db2.gz UWXRJVQUUKEVHI-UHFFFAOYSA-N 1 2 363.487 2.068 20 30 FEEDLO C=CC[N@H+](CCCS(=O)(=O)C(C)C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000819744063 606965328 /nfs/dbraw/zinc/96/53/28/606965328.db2.gz UWXRJVQUUKEVHI-UHFFFAOYSA-N 1 2 363.487 2.068 20 30 FEEDLO Cc1oc(NC(=O)[C@@H](C)[NH+]2CCC(C)(C#N)CC2)c(-c2nn[nH]n2)c1C ZINC000826341773 609144055 /nfs/dbraw/zinc/14/40/55/609144055.db2.gz PRFWOIDWOKDHJT-LLVKDONJSA-N 1 2 357.418 2.029 20 30 FEEDLO C#CCNC(=O)CC[N@H+](CCc1ccc(Cl)cc1Cl)CC(=O)OC ZINC000815051544 674907459 /nfs/dbraw/zinc/90/74/59/674907459.db2.gz UEBLXONVRPTRQW-UHFFFAOYSA-N 1 2 371.264 2.150 20 30 FEEDLO C#CCNC(=O)CC[N@@H+](CCc1ccc(Cl)cc1Cl)CC(=O)OC ZINC000815051544 674907461 /nfs/dbraw/zinc/90/74/61/674907461.db2.gz UEBLXONVRPTRQW-UHFFFAOYSA-N 1 2 371.264 2.150 20 30 FEEDLO C[C@@H]1CN(c2ccc(C(F)(F)F)cc2)C[C@@H](C)[NH+]1CC(=O)NCC#N ZINC000564155885 674979478 /nfs/dbraw/zinc/97/94/78/674979478.db2.gz DYAZROVUFGTGHM-CHWSQXEVSA-N 1 2 354.376 2.244 20 30 FEEDLO CC#CC[N@H+](C)CC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000570704134 670756412 /nfs/dbraw/zinc/75/64/12/670756412.db2.gz WTRRZLFPLQBLGJ-UHFFFAOYSA-N 1 2 353.388 2.309 20 30 FEEDLO CC#CC[N@@H+](C)CC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000570704134 670756417 /nfs/dbraw/zinc/75/64/17/670756417.db2.gz WTRRZLFPLQBLGJ-UHFFFAOYSA-N 1 2 353.388 2.309 20 30 FEEDLO C=C(C)CN(CC)C(=O)C[NH+]1CCN(Cc2ccc(Cl)nc2)CC1 ZINC000116306489 670904468 /nfs/dbraw/zinc/90/44/68/670904468.db2.gz KRVUNDGSHFAHBQ-UHFFFAOYSA-N 1 2 350.894 2.277 20 30 FEEDLO Cc1cccn2cc(CCNS(=O)(=O)c3cc(C#N)ccc3C)[nH+]c12 ZINC000610471423 675974104 /nfs/dbraw/zinc/97/41/04/675974104.db2.gz ZADDJRSTMXWZCV-UHFFFAOYSA-N 1 2 354.435 2.344 20 30 FEEDLO C=CCn1c(-c2cnccn2)nn(C[N@H+](C)C[C@@H]2CCCOC2)c1=S ZINC000159024136 672275989 /nfs/dbraw/zinc/27/59/89/672275989.db2.gz ZKNUBDBIKNPBSX-AWEZNQCLSA-N 1 2 360.487 2.373 20 30 FEEDLO C=CCn1c(-c2cnccn2)nn(C[N@@H+](C)C[C@@H]2CCCOC2)c1=S ZINC000159024136 672275991 /nfs/dbraw/zinc/27/59/91/672275991.db2.gz ZKNUBDBIKNPBSX-AWEZNQCLSA-N 1 2 360.487 2.373 20 30 FEEDLO CC[N@@H+]1CCN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)C[C@@H]1C ZINC000611083662 676015923 /nfs/dbraw/zinc/01/59/23/676015923.db2.gz RUUIPEZFYHLGOH-NSHDSACASA-N 1 2 361.389 2.292 20 30 FEEDLO CC[N@H+]1CCN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)C[C@@H]1C ZINC000611083662 676015925 /nfs/dbraw/zinc/01/59/25/676015925.db2.gz RUUIPEZFYHLGOH-NSHDSACASA-N 1 2 361.389 2.292 20 30 FEEDLO C=CC[C@H](C)[C@H](C)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)[nH+]c1 ZINC000679149808 672469192 /nfs/dbraw/zinc/46/91/92/672469192.db2.gz ULWOSENUWYQCIR-GJZGRUSLSA-N 1 2 352.504 2.176 20 30 FEEDLO CS(=O)(=O)NC1CC[NH+](Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000589494675 672529478 /nfs/dbraw/zinc/52/94/78/672529478.db2.gz LHNPUGTVNHYGJN-UHFFFAOYSA-N 1 2 361.389 2.091 20 30 FEEDLO C[C@H](C(=O)N(C)CCC#N)[NH+]1C[C@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000246759836 672842298 /nfs/dbraw/zinc/84/22/98/672842298.db2.gz NRENMKFXMHMEBO-SOUVJXGZSA-N 1 2 352.479 2.077 20 30 FEEDLO COC[C@H]1C[C@@H](O)C[N@@H+]1CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000593067568 672871230 /nfs/dbraw/zinc/87/12/30/672871230.db2.gz WFTYKARGJUIANC-RBSFLKMASA-N 1 2 363.483 2.101 20 30 FEEDLO COC[C@H]1C[C@@H](O)C[N@H+]1CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000593067568 672871232 /nfs/dbraw/zinc/87/12/32/672871232.db2.gz WFTYKARGJUIANC-RBSFLKMASA-N 1 2 363.483 2.101 20 30 FEEDLO C[C@H](NC(=O)C1CCCC1)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000328839228 673067766 /nfs/dbraw/zinc/06/77/66/673067766.db2.gz YPCXFNDBQAUIDV-DOTOQJQBSA-N 1 2 351.491 2.235 20 30 FEEDLO C#CC[C@@H](CO)[NH2+]Cc1cc(Br)c(O)c(Br)c1 ZINC000717775945 673077078 /nfs/dbraw/zinc/07/70/78/673077078.db2.gz KLVINQRTVBTDQA-VIFPVBQESA-N 1 2 363.049 2.391 20 30 FEEDLO O=C(CCc1c[nH]c[nH+]1)NC1CCC(C(=O)N2CCSCC2)CC1 ZINC000329445374 673077463 /nfs/dbraw/zinc/07/74/63/673077463.db2.gz NRGRUEXQEBUATH-UHFFFAOYSA-N 1 2 350.488 2.433 20 30 FEEDLO O=C(CCc1c[nH+]c[nH]1)NC1CCC(C(=O)N2CCSCC2)CC1 ZINC000329445374 673077467 /nfs/dbraw/zinc/07/74/67/673077467.db2.gz NRGRUEXQEBUATH-UHFFFAOYSA-N 1 2 350.488 2.433 20 30 FEEDLO Cn1cc([C@H]2CSCCN2C(=O)NCc2cn3c([nH+]2)CCCC3)cn1 ZINC000330114234 673086150 /nfs/dbraw/zinc/08/61/50/673086150.db2.gz SQOFKIAIIRBGHE-OAHLLOKOSA-N 1 2 360.487 2.157 20 30 FEEDLO Cc1cc(N(CCC#N)C(=O)C[N@H+](C)C[C@@H]2COCCO2)ccc1Cl ZINC000595735648 673287205 /nfs/dbraw/zinc/28/72/05/673287205.db2.gz CAGPKSCDDCHHRU-MRXNPFEDSA-N 1 2 365.861 2.242 20 30 FEEDLO Cc1cc(N(CCC#N)C(=O)C[N@@H+](C)C[C@@H]2COCCO2)ccc1Cl ZINC000595735648 673287208 /nfs/dbraw/zinc/28/72/08/673287208.db2.gz CAGPKSCDDCHHRU-MRXNPFEDSA-N 1 2 365.861 2.242 20 30 FEEDLO C[C@@H]([NH2+][C@H](CO)c1ccc(F)cc1F)C(=O)NC1(C#N)CCCCC1 ZINC000595865595 673332369 /nfs/dbraw/zinc/33/23/69/673332369.db2.gz BPDBSHHNSCHJPM-MLGOLLRUSA-N 1 2 351.397 2.319 20 30 FEEDLO Cn1cc(C[NH+]2CCN(Cc3cc(Cl)ccc3OCC#N)CC2)cn1 ZINC000735308992 673490111 /nfs/dbraw/zinc/49/01/11/673490111.db2.gz BCYRSXRTTULYTE-UHFFFAOYSA-N 1 2 359.861 2.294 20 30 FEEDLO C=CCOc1ccc(C[N@H+]2CCC[C@H](S(=O)(=O)NC)C2)cc1Cl ZINC000539831372 673508790 /nfs/dbraw/zinc/50/87/90/673508790.db2.gz BNXNLBGAXBVLPD-AWEZNQCLSA-N 1 2 358.891 2.418 20 30 FEEDLO C=CCOc1ccc(C[N@@H+]2CCC[C@H](S(=O)(=O)NC)C2)cc1Cl ZINC000539831372 673508791 /nfs/dbraw/zinc/50/87/91/673508791.db2.gz BNXNLBGAXBVLPD-AWEZNQCLSA-N 1 2 358.891 2.418 20 30 FEEDLO CC1(C)C[N@H+](C[C@H](O)CC2(C#N)CCOCC2)C[C@@H](C(F)(F)F)O1 ZINC000599425375 673674535 /nfs/dbraw/zinc/67/45/35/673674535.db2.gz DLSFSFCAYGBYQE-OLZOCXBDSA-N 1 2 350.381 2.099 20 30 FEEDLO CC1(C)C[N@@H+](C[C@H](O)CC2(C#N)CCOCC2)C[C@@H](C(F)(F)F)O1 ZINC000599425375 673674537 /nfs/dbraw/zinc/67/45/37/673674537.db2.gz DLSFSFCAYGBYQE-OLZOCXBDSA-N 1 2 350.381 2.099 20 30 FEEDLO C[C@](O)(C1CC[NH+](CC(=O)NC2(C#N)CCCCC2)CC1)C(F)(F)F ZINC000545224952 673752827 /nfs/dbraw/zinc/75/28/27/673752827.db2.gz ZMCHHDLYEXKHNJ-HNNXBMFYSA-N 1 2 361.408 2.354 20 30 FEEDLO C#CCC[NH+]1CCC(NC(=O)c2cccc(Br)c2O)CC1 ZINC000743489847 673761520 /nfs/dbraw/zinc/76/15/20/673761520.db2.gz KQCQXDCNZLSRCV-UHFFFAOYSA-N 1 2 351.244 2.372 20 30 FEEDLO CO[C@]1(C(F)(F)F)CCC[N@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000614925369 676196870 /nfs/dbraw/zinc/19/68/70/676196870.db2.gz ZUWPHSOHOAFNHT-MRXNPFEDSA-N 1 2 355.360 2.218 20 30 FEEDLO CO[C@]1(C(F)(F)F)CCC[N@@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000614925369 676196872 /nfs/dbraw/zinc/19/68/72/676196872.db2.gz ZUWPHSOHOAFNHT-MRXNPFEDSA-N 1 2 355.360 2.218 20 30 FEEDLO C#CC[NH+]1CCN(c2nnc([C@H]3CCCS3)n2CCCOCC)CC1 ZINC000818321849 675214113 /nfs/dbraw/zinc/21/41/13/675214113.db2.gz JXYSZKGYVZQSCK-MRXNPFEDSA-N 1 2 363.531 2.028 20 30 FEEDLO COc1cc(C)c(Br)cc1NC[C@@H](O)C[N@H+](C)CCC#N ZINC000819471763 675292971 /nfs/dbraw/zinc/29/29/71/675292971.db2.gz VNJNWQHFMOGSGG-GFCCVEGCSA-N 1 2 356.264 2.384 20 30 FEEDLO COc1cc(C)c(Br)cc1NC[C@@H](O)C[N@@H+](C)CCC#N ZINC000819471763 675292972 /nfs/dbraw/zinc/29/29/72/675292972.db2.gz VNJNWQHFMOGSGG-GFCCVEGCSA-N 1 2 356.264 2.384 20 30 FEEDLO CCOc1ccc(NC[C@@H](O)C[N@H+](C)CCC#N)cc1Br ZINC000819474135 675293231 /nfs/dbraw/zinc/29/32/31/675293231.db2.gz PJVCIGHVEVUOCM-CYBMUJFWSA-N 1 2 356.264 2.466 20 30 FEEDLO CCOc1ccc(NC[C@@H](O)C[N@@H+](C)CCC#N)cc1Br ZINC000819474135 675293232 /nfs/dbraw/zinc/29/32/32/675293232.db2.gz PJVCIGHVEVUOCM-CYBMUJFWSA-N 1 2 356.264 2.466 20 30 FEEDLO CC(C)n1c[nH+]cc1CN=Nc1ccc(S(=O)(=O)N2CCCC2)cn1 ZINC000819805793 675316110 /nfs/dbraw/zinc/31/61/10/675316110.db2.gz BORCBFDZMQIQDT-UHFFFAOYSA-N 1 2 362.459 2.090 20 30 FEEDLO C[C@H](c1cccc(C#N)c1)[N@H+](C)CCS(=O)(=O)CC(=O)OC(C)(C)C ZINC000823618179 675563647 /nfs/dbraw/zinc/56/36/47/675563647.db2.gz OPFLPHPKYGPPAZ-CQSZACIVSA-N 1 2 366.483 2.308 20 30 FEEDLO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CCS(=O)(=O)CC(=O)OC(C)(C)C ZINC000823618179 675563648 /nfs/dbraw/zinc/56/36/48/675563648.db2.gz OPFLPHPKYGPPAZ-CQSZACIVSA-N 1 2 366.483 2.308 20 30 FEEDLO C=CC[N@@H+](Cc1ccc(Br)cc1O)[C@H]1CCS(=O)(=O)C1 ZINC000824606713 675613287 /nfs/dbraw/zinc/61/32/87/675613287.db2.gz WGBLXLWPSVNRGB-ZDUSSCGKSA-N 1 2 360.273 2.330 20 30 FEEDLO C=CC[N@H+](Cc1ccc(Br)cc1O)[C@H]1CCS(=O)(=O)C1 ZINC000824606713 675613288 /nfs/dbraw/zinc/61/32/88/675613288.db2.gz WGBLXLWPSVNRGB-ZDUSSCGKSA-N 1 2 360.273 2.330 20 30 FEEDLO N#C[C@H](c1ccc(Cl)cc1)N1CC[NH+](CCn2ccccc2=O)CC1 ZINC000619784703 676394628 /nfs/dbraw/zinc/39/46/28/676394628.db2.gz LNDBALZORBDLMR-GOSISDBHSA-N 1 2 356.857 2.384 20 30 FEEDLO O=C(C[C@@H](n1cc[nH+]c1)C(F)(F)F)NCCOCC(F)(F)C(F)F ZINC000635859312 677108587 /nfs/dbraw/zinc/10/85/87/677108587.db2.gz OTKUOPCVNASHKN-MRVPVSSYSA-N 1 2 365.249 2.410 20 30 FEEDLO CC#CC[NH2+]Cc1cn(Cc2ncc(Br)cc2Cl)nn1 ZINC000641206023 677196859 /nfs/dbraw/zinc/19/68/59/677196859.db2.gz JWYFGXCPHQTEHB-UHFFFAOYSA-N 1 2 354.639 2.250 20 30 FEEDLO C=CCCn1cc(C[NH2+][C@H](CO)c2ccc(Br)cc2)nn1 ZINC000653611517 677540016 /nfs/dbraw/zinc/54/00/16/677540016.db2.gz BCPLSMNFGULSCB-OAHLLOKOSA-N 1 2 351.248 2.440 20 30 FEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[C@@H]2N2CCCC2=O)C1 ZINC001033165584 680419795 /nfs/dbraw/zinc/41/97/95/680419795.db2.gz NZPOHKWUONXMRY-BBWFWOEESA-N 1 2 367.921 2.453 20 30 FEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[C@@H]2N2CCCC2=O)C1 ZINC001033165584 680419797 /nfs/dbraw/zinc/41/97/97/680419797.db2.gz NZPOHKWUONXMRY-BBWFWOEESA-N 1 2 367.921 2.453 20 30 FEEDLO Clc1cnccc1N[NH+]=Cc1c(N2CCOCC2)nc2ccccn21 ZINC000756841874 680501114 /nfs/dbraw/zinc/50/11/14/680501114.db2.gz BEIAJPJIZCNXBF-UHFFFAOYSA-N 1 2 356.817 2.087 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC1(C)CC[NH+]([C@@H](C)c2nnc(C)s2)CC1 ZINC001045564130 680634797 /nfs/dbraw/zinc/63/47/97/680634797.db2.gz WJKVZYUIHRVHHU-CFVMTHIKSA-N 1 2 364.515 2.469 20 30 FEEDLO O=C(N[C@@H]1CCC[N@@H+](CC#Cc2cccc(Cl)c2)C1)[C@]12C[C@H]1COC2 ZINC001007381012 680638951 /nfs/dbraw/zinc/63/89/51/680638951.db2.gz WDVSAIAYOKRJGN-HQRMLTQVSA-N 1 2 358.869 2.309 20 30 FEEDLO O=C(N[C@@H]1CCC[N@H+](CC#Cc2cccc(Cl)c2)C1)[C@]12C[C@H]1COC2 ZINC001007381012 680638953 /nfs/dbraw/zinc/63/89/53/680638953.db2.gz WDVSAIAYOKRJGN-HQRMLTQVSA-N 1 2 358.869 2.309 20 30 FEEDLO N#Cc1cc(Br)ccc1C(=O)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000837817415 680651743 /nfs/dbraw/zinc/65/17/43/680651743.db2.gz PXHOIAIYNZPKTE-OKILXGFUSA-N 1 2 365.227 2.341 20 30 FEEDLO N#Cc1cc(Br)ccc1C(=O)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000837817415 680651747 /nfs/dbraw/zinc/65/17/47/680651747.db2.gz PXHOIAIYNZPKTE-OKILXGFUSA-N 1 2 365.227 2.341 20 30 FEEDLO CN(C(=O)[C@@H]1C[C@H]1C(C)(C)C)[C@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001047454169 680663370 /nfs/dbraw/zinc/66/33/70/680663370.db2.gz ANVIOUXKSUPOPZ-NCOADZHNSA-N 1 2 361.511 2.305 20 30 FEEDLO CN(C(=O)[C@@H]1C[C@H]1C(C)(C)C)[C@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001047454169 680663373 /nfs/dbraw/zinc/66/33/73/680663373.db2.gz ANVIOUXKSUPOPZ-NCOADZHNSA-N 1 2 361.511 2.305 20 30 FEEDLO Nc1ncc2c(n1)CCCC2=[NH+]Nc1cc(CO)ccc1Br ZINC000841654889 680904725 /nfs/dbraw/zinc/90/47/25/680904725.db2.gz QAQXGOKNWQZCKE-UHFFFAOYSA-N 1 2 362.231 2.466 20 30 FEEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1ccc(I)cc1C ZINC000769962125 681001803 /nfs/dbraw/zinc/00/18/03/681001803.db2.gz BJPGRVZAUSSZED-LLVKDONJSA-N 1 2 356.207 2.492 20 30 FEEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1ccc(I)cc1C ZINC000769962125 681001805 /nfs/dbraw/zinc/00/18/05/681001805.db2.gz BJPGRVZAUSSZED-LLVKDONJSA-N 1 2 356.207 2.492 20 30 FEEDLO Cc1cc(C)c2ncc(C#N)c(N3CC[NH+](CC[S@](C)=O)CC3)c2c1 ZINC000771148723 681043822 /nfs/dbraw/zinc/04/38/22/681043822.db2.gz XXWVNCUZSJQQGV-VWLOTQADSA-N 1 2 356.495 2.224 20 30 FEEDLO CN(C[C@@H](O)c1cccc(C#N)c1)c1cc(N2CCSCC2)nc[nH+]1 ZINC000845607753 681141115 /nfs/dbraw/zinc/14/11/15/681141115.db2.gz AXVBNDUFEAENNM-MRXNPFEDSA-N 1 2 355.467 2.071 20 30 FEEDLO CN(C[C@@H](O)c1cccc(C#N)c1)c1cc(N2CCSCC2)[nH+]cn1 ZINC000845607753 681141116 /nfs/dbraw/zinc/14/11/16/681141116.db2.gz AXVBNDUFEAENNM-MRXNPFEDSA-N 1 2 355.467 2.071 20 30 FEEDLO N#Cc1nc(N[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)sc1Cl ZINC001059454210 681180846 /nfs/dbraw/zinc/18/08/46/681180846.db2.gz COUCEOHEVIUORS-ZYUZMQFOSA-N 1 2 362.846 2.254 20 30 FEEDLO N#Cc1nc(N[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)sc1Cl ZINC001059454210 681180847 /nfs/dbraw/zinc/18/08/47/681180847.db2.gz COUCEOHEVIUORS-ZYUZMQFOSA-N 1 2 362.846 2.254 20 30 FEEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(CO)(C(F)(F)F)CC1 ZINC000932823880 681317291 /nfs/dbraw/zinc/31/72/91/681317291.db2.gz ULTVZFRYAOQGOH-CYBMUJFWSA-N 1 2 361.408 2.354 20 30 FEEDLO Cn1cc([C@H]2CSCCC[N@@H+]2CC(=O)Nc2cccc(C#N)c2)cn1 ZINC000933986142 681492864 /nfs/dbraw/zinc/49/28/64/681492864.db2.gz OZRFPMIUKUEIGC-QGZVFWFLSA-N 1 2 355.467 2.410 20 30 FEEDLO Cn1cc([C@H]2CSCCC[N@H+]2CC(=O)Nc2cccc(C#N)c2)cn1 ZINC000933986142 681492867 /nfs/dbraw/zinc/49/28/67/681492867.db2.gz OZRFPMIUKUEIGC-QGZVFWFLSA-N 1 2 355.467 2.410 20 30 FEEDLO CC(=NNCCCn1cc[nH+]c1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000848419103 681537287 /nfs/dbraw/zinc/53/72/87/681537287.db2.gz YQMWENZKGKQDGW-UHFFFAOYSA-N 1 2 356.398 2.283 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC2(CC1)C[N@H+](C/C=C/Cl)CCO2 ZINC000949493239 681643560 /nfs/dbraw/zinc/64/35/60/681643560.db2.gz QQHIKLGTQKJHQA-UCLCUNAYSA-N 1 2 368.905 2.414 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC2(CC1)C[N@@H+](C/C=C/Cl)CCO2 ZINC000949493239 681643566 /nfs/dbraw/zinc/64/35/66/681643566.db2.gz QQHIKLGTQKJHQA-UCLCUNAYSA-N 1 2 368.905 2.414 20 30 FEEDLO Cc1nsc(N2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC2)c1C#N ZINC000936050046 681884675 /nfs/dbraw/zinc/88/46/75/681884675.db2.gz XLCRCRGBYAXVAT-UHFFFAOYSA-N 1 2 352.423 2.162 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3csc(CC)n3)C[C@H]21 ZINC000959942993 682011853 /nfs/dbraw/zinc/01/18/53/682011853.db2.gz AVBPVAJHHZRMFA-LFRCEIEQSA-N 1 2 361.511 2.233 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3csc(CC)n3)C[C@H]21 ZINC000959942993 682011862 /nfs/dbraw/zinc/01/18/62/682011862.db2.gz AVBPVAJHHZRMFA-LFRCEIEQSA-N 1 2 361.511 2.233 20 30 FEEDLO Fc1ccc(-n2cc(C=NNC3=[NH+][C@@H]4CCCC[C@@H]4N3)nn2)cc1Cl ZINC000782907138 682093200 /nfs/dbraw/zinc/09/32/00/682093200.db2.gz FSWCATLTXTUJQP-GASCZTMLSA-N 1 2 361.812 2.254 20 30 FEEDLO CN(C)c1nc(CO[NH+]=C(N)c2ccc(Br)cc2)ns1 ZINC000782949498 682097933 /nfs/dbraw/zinc/09/79/33/682097933.db2.gz VZZSTZPXMKYDMW-UHFFFAOYSA-N 1 2 356.249 2.204 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2cnns2)CC1(C)C ZINC000941092534 682103716 /nfs/dbraw/zinc/10/37/16/682103716.db2.gz FMQJZPGIWMHQEO-JYJNAYRXSA-N 1 2 364.515 2.236 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cnns2)CC1(C)C ZINC000941092534 682103722 /nfs/dbraw/zinc/10/37/22/682103722.db2.gz FMQJZPGIWMHQEO-JYJNAYRXSA-N 1 2 364.515 2.236 20 30 FEEDLO COc1ccccc1NC(=S)N[NH+]=Cc1ccc(N(C)CCO)cc1 ZINC000915924904 685519633 /nfs/dbraw/zinc/51/96/33/685519633.db2.gz GBNTZUUCDFIDTJ-UHFFFAOYSA-N 1 2 358.467 2.444 20 30 FEEDLO COc1ccc(CN[NH+]=Cc2c(Cl)nc(N)nc2N2CCCC2)cc1 ZINC000917548909 685532905 /nfs/dbraw/zinc/53/29/05/685532905.db2.gz NKZBEPFMOJMACI-UHFFFAOYSA-N 1 2 360.849 2.445 20 30 FEEDLO C[C@@H]1CC[N@H+](CCOc2ccc(C#N)cc2)C[C@@H]1NC(=O)C(F)(F)F ZINC000852759772 682338078 /nfs/dbraw/zinc/33/80/78/682338078.db2.gz UPPAWIZPIACKHR-DOMZBBRYSA-N 1 2 355.360 2.326 20 30 FEEDLO C[C@@H]1CC[N@@H+](CCOc2ccc(C#N)cc2)C[C@@H]1NC(=O)C(F)(F)F ZINC000852759772 682338082 /nfs/dbraw/zinc/33/80/82/682338082.db2.gz UPPAWIZPIACKHR-DOMZBBRYSA-N 1 2 355.360 2.326 20 30 FEEDLO OC1CCN(c2ccc(C=[NH+]NC(=S)Nc3cccnc3)cc2)CC1 ZINC000853265065 682399968 /nfs/dbraw/zinc/39/99/68/682399968.db2.gz DLKLESDHDWBOAZ-UHFFFAOYSA-N 1 2 355.467 2.363 20 30 FEEDLO C#CCC[N@@H+](CCOC)CN1C(=O)N[C@](C)(c2cccc(Cl)c2)C1=O ZINC000853620330 682446418 /nfs/dbraw/zinc/44/64/18/682446418.db2.gz YKRDJSUTZAADOJ-GOSISDBHSA-N 1 2 363.845 2.036 20 30 FEEDLO C#CCC[N@H+](CCOC)CN1C(=O)N[C@](C)(c2cccc(Cl)c2)C1=O ZINC000853620330 682446420 /nfs/dbraw/zinc/44/64/20/682446420.db2.gz YKRDJSUTZAADOJ-GOSISDBHSA-N 1 2 363.845 2.036 20 30 FEEDLO C[N@@H+]1CC[C@@H](NS(=O)(=O)CC(C)(C)C#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000790043795 682651256 /nfs/dbraw/zinc/65/12/56/682651256.db2.gz MDBIXNSQHWLHLW-CABCVRRESA-N 1 2 357.426 2.179 20 30 FEEDLO C[N@H+]1CC[C@@H](NS(=O)(=O)CC(C)(C)C#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000790043795 682651259 /nfs/dbraw/zinc/65/12/59/682651259.db2.gz MDBIXNSQHWLHLW-CABCVRRESA-N 1 2 357.426 2.179 20 30 FEEDLO C[NH+](C)Cc1csc(CNS(=O)(=O)c2ccc(Cl)cc2C#N)n1 ZINC000921104763 683397373 /nfs/dbraw/zinc/39/73/73/683397373.db2.gz KFCYGUFZGZQJTN-UHFFFAOYSA-N 1 2 370.887 2.208 20 30 FEEDLO CN(C)c1ccc(C=[NH+]N[C@H]2CCCS(=O)(=O)C2)c(C(F)(F)F)c1 ZINC000863134547 683680629 /nfs/dbraw/zinc/68/06/29/683680629.db2.gz OQTWGMMJYXUYMT-LBPRGKRZSA-N 1 2 363.405 2.272 20 30 FEEDLO Cc1cc(CNC(=S)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)no1 ZINC000865228025 683951932 /nfs/dbraw/zinc/95/19/32/683951932.db2.gz WBYHGMZGOFALIY-UHFFFAOYSA-N 1 2 355.467 2.047 20 30 FEEDLO CCCS(=O)(=O)N1CCC([NH2+][C@@H](C)c2cccc(C#N)c2O)CC1 ZINC000866233165 684085013 /nfs/dbraw/zinc/08/50/13/684085013.db2.gz RZPBTXOFGZPIIK-ZDUSSCGKSA-N 1 2 351.472 2.119 20 30 FEEDLO Cn1cc(CN(CCn2cc[nH+]c2)C(=O)c2sccc2CC#N)cn1 ZINC000868136745 684456326 /nfs/dbraw/zinc/45/63/26/684456326.db2.gz QJABEAGIQVQSQG-UHFFFAOYSA-N 1 2 354.439 2.087 20 30 FEEDLO C=CCOc1ccc(C[N@@H+]2CC[C@H]3CS(=O)(=O)C[C@H]3C2)cc1OC ZINC000877787012 686457597 /nfs/dbraw/zinc/45/75/97/686457597.db2.gz DIBGVASNYQCPBA-JKSUJKDBSA-N 1 2 351.468 2.127 20 30 FEEDLO C=CCOc1ccc(C[N@H+]2CC[C@H]3CS(=O)(=O)C[C@H]3C2)cc1OC ZINC000877787012 686457600 /nfs/dbraw/zinc/45/76/00/686457600.db2.gz DIBGVASNYQCPBA-JKSUJKDBSA-N 1 2 351.468 2.127 20 30 FEEDLO CSc1ccc(CNC(=O)NCC[N@@H+]2CCOC(C)(C)C2)cc1C#N ZINC000884204232 687817521 /nfs/dbraw/zinc/81/75/21/687817521.db2.gz QPROFVRJJGRTCX-UHFFFAOYSA-N 1 2 362.499 2.190 20 30 FEEDLO CSc1ccc(CNC(=O)NCC[N@H+]2CCOC(C)(C)C2)cc1C#N ZINC000884204232 687817525 /nfs/dbraw/zinc/81/75/25/687817525.db2.gz QPROFVRJJGRTCX-UHFFFAOYSA-N 1 2 362.499 2.190 20 30 FEEDLO N#CC1(C[C@H](O)C[N@@H+]2C[C@H]3Oc4c(F)ccc(F)c4O[C@H]3C2)CCC1 ZINC000886252226 688219982 /nfs/dbraw/zinc/21/99/82/688219982.db2.gz XRJOMHWWNSKSIR-TUKIKUTGSA-N 1 2 350.365 2.234 20 30 FEEDLO N#CC1(C[C@H](O)C[N@H+]2C[C@H]3Oc4c(F)ccc(F)c4O[C@H]3C2)CCC1 ZINC000886252226 688219985 /nfs/dbraw/zinc/21/99/85/688219985.db2.gz XRJOMHWWNSKSIR-TUKIKUTGSA-N 1 2 350.365 2.234 20 30 FEEDLO C#CCC1([NH2+]Cc2nnc(C(=O)Nc3ccccc3)s2)CCOCC1 ZINC000887123187 688369702 /nfs/dbraw/zinc/36/97/02/688369702.db2.gz DEEYAZDSSCTDOT-UHFFFAOYSA-N 1 2 356.451 2.453 20 30 FEEDLO CSc1ccc(CNC(=O)NCC[N@@H+]2C[C@@H](C)OC[C@H]2C)cc1C#N ZINC000890447665 688921343 /nfs/dbraw/zinc/92/13/43/688921343.db2.gz KCGXSKMEABEZPY-ZIAGYGMSSA-N 1 2 362.499 2.189 20 30 FEEDLO CSc1ccc(CNC(=O)NCC[N@H+]2C[C@@H](C)OC[C@H]2C)cc1C#N ZINC000890447665 688921346 /nfs/dbraw/zinc/92/13/46/688921346.db2.gz KCGXSKMEABEZPY-ZIAGYGMSSA-N 1 2 362.499 2.189 20 30 FEEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000891607508 689082960 /nfs/dbraw/zinc/08/29/60/689082960.db2.gz NUMMICIAZGKQRO-LBPRGKRZSA-N 1 2 354.237 2.146 20 30 FEEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000891607508 689082965 /nfs/dbraw/zinc/08/29/65/689082965.db2.gz NUMMICIAZGKQRO-LBPRGKRZSA-N 1 2 354.237 2.146 20 30 FEEDLO Cc1[nH]c(CNC(=O)COc2ccc(C#N)c(Br)c2)[nH+]c1C ZINC000896909113 689948724 /nfs/dbraw/zinc/94/87/24/689948724.db2.gz AKWMXIMZVOYOSF-UHFFFAOYSA-N 1 2 363.215 2.356 20 30 FEEDLO COc1cc(C[NH+](C)C)ccc1NS(=O)(=O)c1cnc(C)c(C#N)c1 ZINC000903149082 690856107 /nfs/dbraw/zinc/85/61/07/690856107.db2.gz OHBDLJUVEJKQEN-UHFFFAOYSA-N 1 2 360.439 2.133 20 30 FEEDLO C=CCOC(=O)[C@@H]([NH3+])Cc1nc(Cc2ccccc2Br)no1 ZINC000904085943 691001745 /nfs/dbraw/zinc/00/17/45/691001745.db2.gz WHICNQLCCIAROV-LBPRGKRZSA-N 1 2 366.215 2.022 20 30 FEEDLO O=C1C[C@@H]([N@@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)C(=O)N1CC(F)(F)F ZINC000905026124 691058543 /nfs/dbraw/zinc/05/85/43/691058543.db2.gz UQHWTWPBYDRALJ-XCBNKYQSSA-N 1 2 362.245 2.043 20 30 FEEDLO O=C1C[C@@H]([N@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)C(=O)N1CC(F)(F)F ZINC000905026124 691058545 /nfs/dbraw/zinc/05/85/45/691058545.db2.gz UQHWTWPBYDRALJ-XCBNKYQSSA-N 1 2 362.245 2.043 20 30 FEEDLO C=CCNC(=O)[C@@H](C)[N@H+](C)CC(=O)Nc1ccc(Br)cc1C ZINC000008493783 539487620 /nfs/dbraw/zinc/48/76/20/539487620.db2.gz DXBMUVGLLVWRDH-GFCCVEGCSA-N 1 2 368.275 2.319 20 30 FEEDLO C=CCNC(=O)[C@@H](C)[N@@H+](C)CC(=O)Nc1ccc(Br)cc1C ZINC000008493783 539487624 /nfs/dbraw/zinc/48/76/24/539487624.db2.gz DXBMUVGLLVWRDH-GFCCVEGCSA-N 1 2 368.275 2.319 20 30 FEEDLO C[C@H](O)C[NH+]=c1[nH]c2ccccc2n1CC(=O)NCc1cccc(C#N)c1 ZINC000521148764 539514312 /nfs/dbraw/zinc/51/43/12/539514312.db2.gz TXAJBEGONCIEKW-AWEZNQCLSA-N 1 2 363.421 2.017 20 30 FEEDLO Cn1cc[nH+]c1[C@H](NS(=O)(=O)c1cccc(C#N)c1)c1ccc(F)cc1 ZINC000016975780 539638657 /nfs/dbraw/zinc/63/86/57/539638657.db2.gz WDATWSMQRSYNLV-QGZVFWFLSA-N 1 2 370.409 2.499 20 30 FEEDLO N#Cc1ccccc1S(=O)(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000026818380 539794107 /nfs/dbraw/zinc/79/41/07/539794107.db2.gz IVARHSJFTOHZRT-UHFFFAOYSA-N 1 2 352.419 2.282 20 30 FEEDLO C#CC[NH+]1CCN(c2nnc(CCCc3cccs3)n2CC=C)CC1 ZINC000800779607 674075587 /nfs/dbraw/zinc/07/55/87/674075587.db2.gz RHXLQIJTAGVADH-UHFFFAOYSA-N 1 2 355.511 2.456 20 30 FEEDLO C[C@@H](c1ccccc1)N(C)C(=O)C[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000029446072 539853805 /nfs/dbraw/zinc/85/38/05/539853805.db2.gz OHIFZWFSMRBICQ-KRWDZBQOSA-N 1 2 363.465 2.295 20 30 FEEDLO C[C@H](C(=O)Nc1cccc(F)c1)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000029447557 539854037 /nfs/dbraw/zinc/85/40/37/539854037.db2.gz SIWDDYNAXQBTJA-CQSZACIVSA-N 1 2 353.401 2.242 20 30 FEEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)c2cc(C)n([C@@H]3CCOC3)c2C)c1C#N ZINC000530262192 539923323 /nfs/dbraw/zinc/92/33/23/539923323.db2.gz XVEOCWVVWWWAFR-CQSZACIVSA-N 1 2 370.457 2.065 20 30 FEEDLO CN(Cc1ccc(C#N)cc1)C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000046891403 540275535 /nfs/dbraw/zinc/27/55/35/540275535.db2.gz CNKXIPWQZGNFSG-UHFFFAOYSA-N 1 2 365.437 2.131 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CNc3ccc(C#N)cc3)CC2)cc1 ZINC000050023933 540397279 /nfs/dbraw/zinc/39/72/79/540397279.db2.gz JLHJOVSRZVGFTL-UHFFFAOYSA-N 1 2 359.433 2.186 20 30 FEEDLO N#CCCC[NH+]1CCN(CC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 ZINC000050273444 540403554 /nfs/dbraw/zinc/40/35/54/540403554.db2.gz MNYUMPSLADFDGA-UHFFFAOYSA-N 1 2 370.375 2.445 20 30 FEEDLO N#Cc1ccnc(N2CC[NH+](CC(=O)N(C3CC3)C3CCCC3)CC2)c1 ZINC000052508659 540469603 /nfs/dbraw/zinc/46/96/03/540469603.db2.gz KAZRUADIBCDGPV-UHFFFAOYSA-N 1 2 353.470 2.009 20 30 FEEDLO N#Cc1cccc(C[NH+]2CCN(CC(=O)N3CCc4ccccc43)CC2)c1 ZINC000052927952 540499714 /nfs/dbraw/zinc/49/97/14/540499714.db2.gz MOASGHANPXWCJS-UHFFFAOYSA-N 1 2 360.461 2.265 20 30 FEEDLO CC(=O)c1cc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n(C)c1 ZINC000053721157 540551982 /nfs/dbraw/zinc/55/19/82/540551982.db2.gz IBGNYHNHLPUWIV-UHFFFAOYSA-N 1 2 364.449 2.447 20 30 FEEDLO CC(=O)c1cc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)n(C)c1 ZINC000053721157 540551984 /nfs/dbraw/zinc/55/19/84/540551984.db2.gz IBGNYHNHLPUWIV-UHFFFAOYSA-N 1 2 364.449 2.447 20 30 FEEDLO COc1ccc(C(=O)C2CC[NH+](CC(=O)N[C@](C)(C#N)C3CC3)CC2)cc1 ZINC000054886743 540615630 /nfs/dbraw/zinc/61/56/30/540615630.db2.gz HRNSZCGWPSJPPP-OAQYLSRUSA-N 1 2 369.465 2.398 20 30 FEEDLO N#Cc1ccccc1OCC(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000055816189 540678982 /nfs/dbraw/zinc/67/89/82/540678982.db2.gz JWIIFKBSWVHUJC-UHFFFAOYSA-N 1 2 351.406 2.408 20 30 FEEDLO CCC[N@H+](CC(=O)N(C)C)CC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000056510461 540731173 /nfs/dbraw/zinc/73/11/73/540731173.db2.gz FZPCVTKNKQVPAX-UHFFFAOYSA-N 1 2 358.486 2.350 20 30 FEEDLO CCC[N@@H+](CC(=O)N(C)C)CC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000056510461 540731176 /nfs/dbraw/zinc/73/11/76/540731176.db2.gz FZPCVTKNKQVPAX-UHFFFAOYSA-N 1 2 358.486 2.350 20 30 FEEDLO N#CC1CC[NH+](CC(=O)Nc2cccc(I)c2)CC1 ZINC000057907162 540823683 /nfs/dbraw/zinc/82/36/83/540823683.db2.gz AITKYSZVJNOERF-UHFFFAOYSA-N 1 2 369.206 2.465 20 30 FEEDLO CC1CCC(N(C)C(=O)C[NH+]2CCN(c3ccc(C#N)cn3)CC2)CC1 ZINC000060481507 541114122 /nfs/dbraw/zinc/11/41/22/541114122.db2.gz DFPNZYYRJLOYAN-UHFFFAOYSA-N 1 2 355.486 2.112 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)CCc1c[nH]c2ccccc12 ZINC000060634073 541119685 /nfs/dbraw/zinc/11/96/85/541119685.db2.gz UJLWJFZLVRVAPD-UHFFFAOYSA-N 1 2 354.454 2.175 20 30 FEEDLO Cn1cc[nH+]c1CNC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 ZINC000541103375 541151161 /nfs/dbraw/zinc/15/11/61/541151161.db2.gz FITPLGBXHWDEGH-UHFFFAOYSA-N 1 2 355.789 2.453 20 30 FEEDLO CCCCNC(=O)CO[NH+]=C(N)c1cccc(Cn2nc(C)cc2C)c1 ZINC000063510218 541171102 /nfs/dbraw/zinc/17/11/02/541171102.db2.gz DOGHBVMNMIHDJZ-UHFFFAOYSA-N 1 2 357.458 2.101 20 30 FEEDLO COCC[N@H+](CC(=O)NCc1ccc(OC)cc1)Cc1ccc(C#N)cc1 ZINC000063754581 541184005 /nfs/dbraw/zinc/18/40/05/541184005.db2.gz VANSFINJQIUXRC-UHFFFAOYSA-N 1 2 367.449 2.332 20 30 FEEDLO COCC[N@@H+](CC(=O)NCc1ccc(OC)cc1)Cc1ccc(C#N)cc1 ZINC000063754581 541184007 /nfs/dbraw/zinc/18/40/07/541184007.db2.gz VANSFINJQIUXRC-UHFFFAOYSA-N 1 2 367.449 2.332 20 30 FEEDLO C[C@H](OC[C@H]1CCCCO1)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000066308125 541299757 /nfs/dbraw/zinc/29/97/57/541299757.db2.gz JHALLKAKLSMDIO-FXAWDEMLSA-N 1 2 371.481 2.177 20 30 FEEDLO N#Cc1ccc(-n2ccc(NC(=O)c3ccc(-n4cc[nH+]c4)nn3)n2)c(F)c1 ZINC000542988671 541514785 /nfs/dbraw/zinc/51/47/85/541514785.db2.gz HZSZSFSXIBFRBI-UHFFFAOYSA-N 1 2 374.339 2.111 20 30 FEEDLO CSc1[nH]c(=O)c(C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)cc1C#N ZINC000073134107 541922440 /nfs/dbraw/zinc/92/24/40/541922440.db2.gz LQVRPQIVDVNPHX-UHFFFAOYSA-N 1 2 352.379 2.214 20 30 FEEDLO N#CCOc1ccc(CNC(=O)NCc2cccnc2-n2cc[nH+]c2)cc1 ZINC000075969943 542221819 /nfs/dbraw/zinc/22/18/19/542221819.db2.gz HWRDYHLEVJFOAX-UHFFFAOYSA-N 1 2 362.393 2.169 20 30 FEEDLO C[C@](C#N)(NC(=O)C[NH+]1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1)C1CC1 ZINC000076181143 542240376 /nfs/dbraw/zinc/24/03/76/542240376.db2.gz PWCNCXMSXZKDSK-CKYFFXLPSA-N 1 2 357.298 2.467 20 30 FEEDLO CN(CC[NH+]1CCOCC1)C(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000076209396 542245713 /nfs/dbraw/zinc/24/57/13/542245713.db2.gz USWBRKXATFYNDZ-UHFFFAOYSA-N 1 2 369.421 2.134 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)CCc1cc(Cl)cs1 ZINC000076587646 542296892 /nfs/dbraw/zinc/29/68/92/542296892.db2.gz UNGTUYPPINJBDC-UHFFFAOYSA-N 1 2 355.891 2.409 20 30 FEEDLO CC(=O)N[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000077170011 542350720 /nfs/dbraw/zinc/35/07/20/542350720.db2.gz IQUWVVYSEWEERW-AAEUAGOBSA-N 1 2 360.483 2.036 20 30 FEEDLO CC(=O)N[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000077170011 542350723 /nfs/dbraw/zinc/35/07/23/542350723.db2.gz IQUWVVYSEWEERW-AAEUAGOBSA-N 1 2 360.483 2.036 20 30 FEEDLO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000078255082 542450126 /nfs/dbraw/zinc/45/01/26/542450126.db2.gz XDRDQMXTIIUEFG-SFHVURJKSA-N 1 2 352.438 2.290 20 30 FEEDLO CN(C)C(=O)[C@@H]1CCC[N@H+]1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000078255082 542450130 /nfs/dbraw/zinc/45/01/30/542450130.db2.gz XDRDQMXTIIUEFG-SFHVURJKSA-N 1 2 352.438 2.290 20 30 FEEDLO CC[NH+]1CCN(C(=O)[C@H](C)Sc2nc3c(cc2C#N)CCCC3)CC1 ZINC000078874159 542486118 /nfs/dbraw/zinc/48/61/18/542486118.db2.gz VJVKWLZPGBDLPP-AWEZNQCLSA-N 1 2 358.511 2.477 20 30 FEEDLO Cc1ccc(-c2noc(CN(CCC#N)CC[NH+]3CCOCC3)n2)cc1F ZINC000081158071 542636605 /nfs/dbraw/zinc/63/66/05/542636605.db2.gz VIXAEHTUXRZPPW-UHFFFAOYSA-N 1 2 373.432 2.232 20 30 FEEDLO N#CCC[N@@H+](CC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)CC1CC1 ZINC000081514889 542662340 /nfs/dbraw/zinc/66/23/40/542662340.db2.gz WVALRSOSIISQIY-UHFFFAOYSA-N 1 2 358.486 2.407 20 30 FEEDLO N#CCC[N@H+](CC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)CC1CC1 ZINC000081514889 542662344 /nfs/dbraw/zinc/66/23/44/542662344.db2.gz WVALRSOSIISQIY-UHFFFAOYSA-N 1 2 358.486 2.407 20 30 FEEDLO N#Cc1csc(C(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)c1 ZINC000084182962 542708804 /nfs/dbraw/zinc/70/88/04/542708804.db2.gz KZDPKIWWFAGRDL-UHFFFAOYSA-N 1 2 361.389 2.347 20 30 FEEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCCC2(C1)OCCO2 ZINC000090563883 542786652 /nfs/dbraw/zinc/78/66/52/542786652.db2.gz CTTBKIXUMNUTJX-OAHLLOKOSA-N 1 2 361.417 2.300 20 30 FEEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCCC2(C1)OCCO2 ZINC000090563883 542786655 /nfs/dbraw/zinc/78/66/55/542786655.db2.gz CTTBKIXUMNUTJX-OAHLLOKOSA-N 1 2 361.417 2.300 20 30 FEEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCC[C@H]2CN2CCOCC2)c1C#N ZINC000091070764 542792912 /nfs/dbraw/zinc/79/29/12/542792912.db2.gz HYQVVCOGWMHQJN-IBGZPJMESA-N 1 2 365.481 2.349 20 30 FEEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CCC[C@H]2CN2CCOCC2)c1C#N ZINC000091070764 542792915 /nfs/dbraw/zinc/79/29/15/542792915.db2.gz HYQVVCOGWMHQJN-IBGZPJMESA-N 1 2 365.481 2.349 20 30 FEEDLO CCc1nn(C)c(CC)c1C[N@@H+]1CCN(Cc2ccc(C#N)cc2)C(=O)C1 ZINC000093661447 542937361 /nfs/dbraw/zinc/93/73/61/542937361.db2.gz ACKUQQPNCKIGAD-UHFFFAOYSA-N 1 2 365.481 2.261 20 30 FEEDLO CCc1nn(C)c(CC)c1C[N@H+]1CCN(Cc2ccc(C#N)cc2)C(=O)C1 ZINC000093661447 542937362 /nfs/dbraw/zinc/93/73/62/542937362.db2.gz ACKUQQPNCKIGAD-UHFFFAOYSA-N 1 2 365.481 2.261 20 30 FEEDLO CSc1nc(C2CC2)cc(C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)c1C#N ZINC000104594071 543135294 /nfs/dbraw/zinc/13/52/94/543135294.db2.gz JAZFNEAAPQWSOA-OLZOCXBDSA-N 1 2 374.510 2.392 20 30 FEEDLO C=CCc1cc(C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)cc(OC)c1OC ZINC000104593905 543135361 /nfs/dbraw/zinc/13/53/61/543135361.db2.gz ITMAQFVAQRLFFZ-GJZGRUSLSA-N 1 2 362.470 2.271 20 30 FEEDLO N#CCCCS(=O)(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000111331048 543396897 /nfs/dbraw/zinc/39/68/97/543396897.db2.gz BRITYVMDYDXBHX-UHFFFAOYSA-N 1 2 357.426 2.152 20 30 FEEDLO Cc1ccc(C#N)cc1S(=O)(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000114736005 543534438 /nfs/dbraw/zinc/53/44/38/543534438.db2.gz XWIGCMMGTMZWBF-GASCZTMLSA-N 1 2 365.499 2.033 20 30 FEEDLO Cc1ccc(C#N)cc1S(=O)(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000114736005 543534439 /nfs/dbraw/zinc/53/44/39/543534439.db2.gz XWIGCMMGTMZWBF-GASCZTMLSA-N 1 2 365.499 2.033 20 30 FEEDLO CSc1[nH]c(=O)c(C(=O)N2CC[NH+](C3CCC(C)CC3)CC2)cc1C#N ZINC000115723879 543583401 /nfs/dbraw/zinc/58/34/01/543583401.db2.gz ZQPCNBIMSHEWSU-UHFFFAOYSA-N 1 2 374.510 2.305 20 30 FEEDLO N#CC1(C(=O)N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)CCCCC1 ZINC000117311342 543629646 /nfs/dbraw/zinc/62/96/46/543629646.db2.gz KLVROFIPJXYHAO-SFHVURJKSA-N 1 2 371.481 2.045 20 30 FEEDLO O=S(=O)(NC1CC1)[C@@H]1CC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000120746986 543684116 /nfs/dbraw/zinc/68/41/16/543684116.db2.gz BBNLSIIDJPWKQI-MRXNPFEDSA-N 1 2 372.412 2.213 20 30 FEEDLO O=S(=O)(NC1CC1)[C@@H]1CC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000120746986 543684118 /nfs/dbraw/zinc/68/41/18/543684118.db2.gz BBNLSIIDJPWKQI-MRXNPFEDSA-N 1 2 372.412 2.213 20 30 FEEDLO C=CC[N@@H+](C)CC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1C ZINC000121201201 543691007 /nfs/dbraw/zinc/69/10/07/543691007.db2.gz LVYQGYFBVJBXEQ-UHFFFAOYSA-N 1 2 365.499 2.226 20 30 FEEDLO C=CC[N@H+](C)CC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1C ZINC000121201201 543691010 /nfs/dbraw/zinc/69/10/10/543691010.db2.gz LVYQGYFBVJBXEQ-UHFFFAOYSA-N 1 2 365.499 2.226 20 30 FEEDLO Cn1c[nH+]cc1CCNC(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000121350623 543693052 /nfs/dbraw/zinc/69/30/52/543693052.db2.gz VXHFHRXEHVSJTH-UHFFFAOYSA-N 1 2 350.378 2.436 20 30 FEEDLO C[C@@H](c1cccnc1)[NH+]1CCN(CC(=O)N(C)C2(C#N)CCCCC2)CC1 ZINC000118836093 543660188 /nfs/dbraw/zinc/66/01/88/543660188.db2.gz NLANJTOFJTXOER-SFHVURJKSA-N 1 2 369.513 2.445 20 30 FEEDLO C#Cc1cccc(NC(=O)C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)c1 ZINC000120116020 543675711 /nfs/dbraw/zinc/67/57/11/543675711.db2.gz IEEWNCKACMVJIQ-UHFFFAOYSA-N 1 2 362.433 2.308 20 30 FEEDLO C=CCNC(=O)C[NH+]1CCN(Cc2cc(Cl)c(OC)cc2Cl)CC1 ZINC000122258007 543705091 /nfs/dbraw/zinc/70/50/91/543705091.db2.gz HYZRTYJEYIORMZ-UHFFFAOYSA-N 1 2 372.296 2.422 20 30 FEEDLO COc1cc(C#N)ccc1OCC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000123922452 543791589 /nfs/dbraw/zinc/79/15/89/543791589.db2.gz ZYOPQHRNERPAEB-GOEBONIOSA-N 1 2 354.410 2.252 20 30 FEEDLO C=CCOc1ccc(C[N@H+]2CCCN(S(C)(=O)=O)CC2)cc1Cl ZINC000125086048 543859790 /nfs/dbraw/zinc/85/97/90/543859790.db2.gz KMUYNSRMYSYJLY-UHFFFAOYSA-N 1 2 358.891 2.372 20 30 FEEDLO C=CCOc1ccc(C[N@@H+]2CCCN(S(C)(=O)=O)CC2)cc1Cl ZINC000125086048 543859792 /nfs/dbraw/zinc/85/97/92/543859792.db2.gz KMUYNSRMYSYJLY-UHFFFAOYSA-N 1 2 358.891 2.372 20 30 FEEDLO C=CCCOCCNC(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000127195022 543978094 /nfs/dbraw/zinc/97/80/94/543978094.db2.gz RKWSMBPDUHWUEU-IBGZPJMESA-N 1 2 361.486 2.260 20 30 FEEDLO C=C(C)COCCNC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(OC)cc1 ZINC000135009478 544331202 /nfs/dbraw/zinc/33/12/02/544331202.db2.gz XYLFXYJVWYQGAC-KRWDZBQOSA-N 1 2 358.442 2.410 20 30 FEEDLO N#Cc1cccc(C(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)c1 ZINC000139919200 544405962 /nfs/dbraw/zinc/40/59/62/544405962.db2.gz GAZXXJVRCUTQEZ-UHFFFAOYSA-N 1 2 365.433 2.199 20 30 FEEDLO O=C(C#Cc1ccc2c(c1)OCO2)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000136899583 544380885 /nfs/dbraw/zinc/38/08/85/544380885.db2.gz ULZYPAWDVBBGBT-UHFFFAOYSA-N 1 2 364.401 2.238 20 30 FEEDLO Cn1cc(Br)cc1C[N@H+](C)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000151472195 544546494 /nfs/dbraw/zinc/54/64/94/544546494.db2.gz JNGZLHHLFTVTHR-HNNXBMFYSA-N 1 2 353.264 2.028 20 30 FEEDLO Cn1cc(Br)cc1C[N@@H+](C)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000151472195 544546497 /nfs/dbraw/zinc/54/64/97/544546497.db2.gz JNGZLHHLFTVTHR-HNNXBMFYSA-N 1 2 353.264 2.028 20 30 FEEDLO Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000152988369 544719412 /nfs/dbraw/zinc/71/94/12/544719412.db2.gz AKLONBKWFOYJHB-KRWDZBQOSA-N 1 2 366.469 2.136 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CCCN(C(N)=O)CC2)c1 ZINC000153600552 544796920 /nfs/dbraw/zinc/79/69/20/544796920.db2.gz JADDFIIMNRDXHN-QGZVFWFLSA-N 1 2 371.485 2.025 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CCCN(C(N)=O)CC2)c1 ZINC000153600552 544796925 /nfs/dbraw/zinc/79/69/25/544796925.db2.gz JADDFIIMNRDXHN-QGZVFWFLSA-N 1 2 371.485 2.025 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cc(Br)ccc1O ZINC000154750131 544945127 /nfs/dbraw/zinc/94/51/27/544945127.db2.gz OTUMPFAFDBONSA-UHFFFAOYSA-N 1 2 368.275 2.203 20 30 FEEDLO N#CCC[N@H+](CCN1CCOCC1)Cc1cc(Br)ccc1O ZINC000154750131 544945131 /nfs/dbraw/zinc/94/51/31/544945131.db2.gz OTUMPFAFDBONSA-UHFFFAOYSA-N 1 2 368.275 2.203 20 30 FEEDLO N#CCC[N@@H+](CCN1CCOCC1)Cc1cc(Br)ccc1O ZINC000154750131 544945135 /nfs/dbraw/zinc/94/51/35/544945135.db2.gz OTUMPFAFDBONSA-UHFFFAOYSA-N 1 2 368.275 2.203 20 30 FEEDLO C[NH+]1CCN(Cc2cccc(NC(=O)c3ccc(C#N)c(O)c3)c2)CC1 ZINC000190996948 328244588 /nfs/dbraw/zinc/24/45/88/328244588.db2.gz HYOASEBMSZSYPR-UHFFFAOYSA-N 1 2 350.422 2.264 20 30 FEEDLO CN1CC[NH+](Cc2cccc(NC(=O)c3ccc(C#N)c(O)c3)c2)CC1 ZINC000190996948 328244589 /nfs/dbraw/zinc/24/45/89/328244589.db2.gz HYOASEBMSZSYPR-UHFFFAOYSA-N 1 2 350.422 2.264 20 30 FEEDLO Cc1cc(C)cc(OCC(=O)N2CC[NH+](Cc3cc(C#N)n(C)c3)CC2)c1 ZINC000191466992 328267258 /nfs/dbraw/zinc/26/72/58/328267258.db2.gz RHZDCRSXJWBDQB-UHFFFAOYSA-N 1 2 366.465 2.237 20 30 FEEDLO Cn1cc(C[N@H+](C)[C@@H](C(N)=O)c2cccc(Br)c2)cc1C#N ZINC000191499361 328268656 /nfs/dbraw/zinc/26/86/56/328268656.db2.gz HPYDAFQGLHISLI-OAHLLOKOSA-N 1 2 361.243 2.318 20 30 FEEDLO Cn1cc(C[N@@H+](C)[C@@H](C(N)=O)c2cccc(Br)c2)cc1C#N ZINC000191499361 328268657 /nfs/dbraw/zinc/26/86/57/328268657.db2.gz HPYDAFQGLHISLI-OAHLLOKOSA-N 1 2 361.243 2.318 20 30 FEEDLO Cc1ccc(S(=O)(=O)NCC[N@@H+](C)Cc2ccc(C#N)c(F)c2)cc1 ZINC000192048631 328296747 /nfs/dbraw/zinc/29/67/47/328296747.db2.gz LWOAQDOMVVWREX-UHFFFAOYSA-N 1 2 361.442 2.416 20 30 FEEDLO Cc1ccc(S(=O)(=O)NCC[N@H+](C)Cc2ccc(C#N)c(F)c2)cc1 ZINC000192048631 328296748 /nfs/dbraw/zinc/29/67/48/328296748.db2.gz LWOAQDOMVVWREX-UHFFFAOYSA-N 1 2 361.442 2.416 20 30 FEEDLO C[C@@H]1CCCC[C@H]1N(C)C(=O)C[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000193767061 328394111 /nfs/dbraw/zinc/39/41/11/328394111.db2.gz VNYPQZXSCAANPW-SJLPKXTDSA-N 1 2 355.486 2.112 20 30 FEEDLO CN(Cc1cccc(C#N)c1)C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000052512095 324718114 /nfs/dbraw/zinc/71/81/14/324718114.db2.gz OACLYARJPZKADA-UHFFFAOYSA-N 1 2 351.454 2.162 20 30 FEEDLO N#Cc1cnc2ccccc2c1N1CC[NH+](Cc2cnc3cnccn23)CC1 ZINC000092704425 325423581 /nfs/dbraw/zinc/42/35/81/325423581.db2.gz NOHZLLNMLUCTLB-UHFFFAOYSA-N 1 2 369.432 2.471 20 30 FEEDLO Cc1cc[nH+]c(N2CCN([C@@H]3CCN(c4sccc4C#N)C3=O)CC2)c1 ZINC000120063148 326226787 /nfs/dbraw/zinc/22/67/87/326226787.db2.gz QYQWLJLQVIFWOJ-MRXNPFEDSA-N 1 2 367.478 2.251 20 30 FEEDLO COc1ccc(C#N)cc1C[NH2+][C@H](c1nc(-c2nc[nH]n2)no1)C(C)C ZINC000120839402 326292357 /nfs/dbraw/zinc/29/23/57/326292357.db2.gz UQTSDTWLMBHMDS-AWEZNQCLSA-N 1 2 353.386 2.222 20 30 FEEDLO COCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1ccc(C)[nH+]c1C ZINC000155067146 326776656 /nfs/dbraw/zinc/77/66/56/326776656.db2.gz UHTIXQXCPLCZFH-UHFFFAOYSA-N 1 2 366.421 2.184 20 30 FEEDLO C[C@H]([C@H](C)NC(=O)N(Cc1ccc(C#N)cc1)C1CC1)[NH+]1CCOCC1 ZINC000171718428 327157340 /nfs/dbraw/zinc/15/73/40/327157340.db2.gz FTSKWPQCODLFPR-JKSUJKDBSA-N 1 2 356.470 2.341 20 30 FEEDLO N#Cc1ccccc1C[NH+]1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000172524188 327205668 /nfs/dbraw/zinc/20/56/68/327205668.db2.gz JDMXQTXWABWURN-UHFFFAOYSA-N 1 2 359.433 2.113 20 30 FEEDLO N#Cc1ccccc1OCC[NH+]1CCN(C(=O)c2ccccc2O)CC1 ZINC000174610921 327338376 /nfs/dbraw/zinc/33/83/76/327338376.db2.gz ZUJLHUGSDPHTTD-UHFFFAOYSA-N 1 2 351.406 2.101 20 30 FEEDLO N#Cc1ccc(SCC(=O)NCc2ccc(N3CCOCC3)[nH+]c2)cc1 ZINC000264014213 328984557 /nfs/dbraw/zinc/98/45/57/328984557.db2.gz PJPJBCMCUSOTAS-UHFFFAOYSA-N 1 2 368.462 2.198 20 30 FEEDLO N#Cc1cc([N+](=O)[O-])cnc1Nc1ccc([NH+]2CCC(C(N)=O)CC2)cc1 ZINC000264439150 329023278 /nfs/dbraw/zinc/02/32/78/329023278.db2.gz FKCOPOFWQQXXKD-UHFFFAOYSA-N 1 2 366.381 2.307 20 30 FEEDLO N#Cc1ccc(-c2nnc(C[N@H+]3CCC[C@H]3[C@H](O)C(F)(F)F)o2)cc1 ZINC000266546153 329234861 /nfs/dbraw/zinc/23/48/61/329234861.db2.gz RNPOOCJHVNASFX-JSGCOSHPSA-N 1 2 352.316 2.496 20 30 FEEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3CCC[C@H]3[C@H](O)C(F)(F)F)o2)cc1 ZINC000266546153 329234863 /nfs/dbraw/zinc/23/48/63/329234863.db2.gz RNPOOCJHVNASFX-JSGCOSHPSA-N 1 2 352.316 2.496 20 30 FEEDLO C[N@H+](CC(=O)NCc1ccc(C#N)cc1)Cc1ccc([S@@](C)=O)cc1 ZINC000267454710 329329141 /nfs/dbraw/zinc/32/91/41/329329141.db2.gz RLNPAUHZPZAEFV-RUZDIDTESA-N 1 2 355.463 2.044 20 30 FEEDLO C[N@@H+](CC(=O)NCc1ccc(C#N)cc1)Cc1ccc([S@@](C)=O)cc1 ZINC000267454710 329329142 /nfs/dbraw/zinc/32/91/42/329329142.db2.gz RLNPAUHZPZAEFV-RUZDIDTESA-N 1 2 355.463 2.044 20 30 FEEDLO CN(C)c1cccc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000274121380 329917399 /nfs/dbraw/zinc/91/73/99/329917399.db2.gz NDBFNGYKEZYDRK-UHFFFAOYSA-N 1 2 364.453 2.369 20 30 FEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](CCNC(C)=O)Cc1ccc(C)s1 ZINC000554828998 674337909 /nfs/dbraw/zinc/33/79/09/674337909.db2.gz GCYQUIKCDYENGD-CQSZACIVSA-N 1 2 364.515 2.003 20 30 FEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](CCNC(C)=O)Cc1ccc(C)s1 ZINC000554828998 674337911 /nfs/dbraw/zinc/33/79/11/674337911.db2.gz GCYQUIKCDYENGD-CQSZACIVSA-N 1 2 364.515 2.003 20 30 FEEDLO N#CCCCCCC(=O)OCC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000805697460 674350290 /nfs/dbraw/zinc/35/02/90/674350290.db2.gz WTCMNNLJLNAQCQ-UHFFFAOYSA-N 1 2 363.483 2.410 20 30 FEEDLO C=C[C@@H](CC(=O)NCC[NH+]1CCN(c2ncccn2)CC1)c1ccccc1 ZINC000155501102 545533880 /nfs/dbraw/zinc/53/38/80/545533880.db2.gz OIRVGYAHMGVSSM-SFHVURJKSA-N 1 2 365.481 2.075 20 30 FEEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cn2ccccc2c1C#N ZINC000155706156 545560353 /nfs/dbraw/zinc/56/03/53/545560353.db2.gz HCLHAVLKQFHDLT-HNNXBMFYSA-N 1 2 357.421 2.183 20 30 FEEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cn2ccccc2c1C#N ZINC000155706156 545560356 /nfs/dbraw/zinc/56/03/56/545560356.db2.gz HCLHAVLKQFHDLT-HNNXBMFYSA-N 1 2 357.421 2.183 20 30 FEEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)COc1ccc(C#N)cc1 ZINC000155718395 545560952 /nfs/dbraw/zinc/56/09/52/545560952.db2.gz FBARVWFPABGUFD-UHFFFAOYSA-N 1 2 352.394 2.116 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+](C)CCNC(=O)C(C)C)c1 ZINC000157584243 545758168 /nfs/dbraw/zinc/75/81/68/545758168.db2.gz BVEXFIJNNSLQST-UHFFFAOYSA-N 1 2 358.486 2.254 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](C)CCNC(=O)C(C)C)c1 ZINC000157584243 545758173 /nfs/dbraw/zinc/75/81/73/545758173.db2.gz BVEXFIJNNSLQST-UHFFFAOYSA-N 1 2 358.486 2.254 20 30 FEEDLO CCCCn1cc[nH+]c1-c1cccc(NC(=O)NCC(=O)NCC#N)c1 ZINC000477939828 561156649 /nfs/dbraw/zinc/15/66/49/561156649.db2.gz NITZXZVDIAZTBH-UHFFFAOYSA-N 1 2 354.414 2.111 20 30 FEEDLO Cc1oc(NC(=O)C[N@@H+]2CC[C@@H]3[C@H](CCC(=O)N3C3CC3)C2)c(C#N)c1C ZINC000159279382 545938808 /nfs/dbraw/zinc/93/88/08/545938808.db2.gz JAFKMDNIWMIXTG-RHSMWYFYSA-N 1 2 370.453 2.182 20 30 FEEDLO Cc1oc(NC(=O)C[N@H+]2CC[C@@H]3[C@H](CCC(=O)N3C3CC3)C2)c(C#N)c1C ZINC000159279382 545938811 /nfs/dbraw/zinc/93/88/11/545938811.db2.gz JAFKMDNIWMIXTG-RHSMWYFYSA-N 1 2 370.453 2.182 20 30 FEEDLO Cc1ccc(C[NH+]2CCN(S(=O)(=O)c3ccccc3C#N)CC2)s1 ZINC000161377294 546124267 /nfs/dbraw/zinc/12/42/67/546124267.db2.gz WGUSKRPYSYMQQQ-UHFFFAOYSA-N 1 2 361.492 2.435 20 30 FEEDLO N#CC1(CS(=O)(=O)NCc2[nH+]ccn2CCCc2ccccc2)CC1 ZINC000166367438 546156297 /nfs/dbraw/zinc/15/62/97/546156297.db2.gz ZGTJRDPVNKSTOR-UHFFFAOYSA-N 1 2 358.467 2.239 20 30 FEEDLO CC(C)n1ccc(CON=C(N)c2cccc(C[NH+]3CCOCC3)c2)n1 ZINC000172330991 546247596 /nfs/dbraw/zinc/24/75/96/546247596.db2.gz OXSKHRCQKBNPLE-UHFFFAOYSA-N 1 2 357.458 2.133 20 30 FEEDLO C=CCOc1ccccc1CNC(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000173326080 546277554 /nfs/dbraw/zinc/27/75/54/546277554.db2.gz TYTBALLQPMIMKS-UHFFFAOYSA-N 1 2 366.465 2.085 20 30 FEEDLO C[C@H]([NH2+]Cc1nnc2n1CCCC2)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000173634847 546284421 /nfs/dbraw/zinc/28/44/21/546284421.db2.gz PDQFIEFCBLOPAK-NSHDSACASA-N 1 2 370.482 2.153 20 30 FEEDLO CC(C)(C)n1cc(C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)nn1 ZINC000480305476 561206920 /nfs/dbraw/zinc/20/69/20/561206920.db2.gz DQHDPPXJMDAFFM-KRWDZBQOSA-N 1 2 352.442 2.190 20 30 FEEDLO N#Cc1cccc(OCCC[NH+]2CCN(C(=O)c3ccccn3)CC2)c1 ZINC000177703325 546670152 /nfs/dbraw/zinc/67/01/52/546670152.db2.gz GCNGBFJXIXGBHI-UHFFFAOYSA-N 1 2 350.422 2.180 20 30 FEEDLO C=CC[N@@H+](CCC(=O)Nc1ccc(OCC)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000177988247 546718495 /nfs/dbraw/zinc/71/84/95/546718495.db2.gz PJZYSYMFCPSKCZ-INIZCTEOSA-N 1 2 366.483 2.089 20 30 FEEDLO C=CC[N@H+](CCC(=O)Nc1ccc(OCC)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000177988247 546718499 /nfs/dbraw/zinc/71/84/99/546718499.db2.gz PJZYSYMFCPSKCZ-INIZCTEOSA-N 1 2 366.483 2.089 20 30 FEEDLO N#CC1(NC(=O)CN2CC[NH+](Cc3cccc(F)c3)CC2)CCCCC1 ZINC000178773696 546847839 /nfs/dbraw/zinc/84/78/39/546847839.db2.gz AQYVGMUCINHXNI-UHFFFAOYSA-N 1 2 358.461 2.286 20 30 FEEDLO CCC(CC)C[N@H+](CCC#N)CC(=O)N[C@@H](C)C(=O)N1CCCCC1 ZINC000484906179 561308446 /nfs/dbraw/zinc/30/84/46/561308446.db2.gz DTXWRPAWKMOVDC-INIZCTEOSA-N 1 2 350.507 2.155 20 30 FEEDLO CCC(CC)C[N@@H+](CCC#N)CC(=O)N[C@@H](C)C(=O)N1CCCCC1 ZINC000484906179 561308447 /nfs/dbraw/zinc/30/84/47/561308447.db2.gz DTXWRPAWKMOVDC-INIZCTEOSA-N 1 2 350.507 2.155 20 30 FEEDLO COc1cc(Cl)cc(CN(CCC#N)CC[NH+]2CCOCC2)c1O ZINC000184670033 547862207 /nfs/dbraw/zinc/86/22/07/547862207.db2.gz ZXMFZVWAWAABOT-UHFFFAOYSA-N 1 2 353.850 2.102 20 30 FEEDLO C[C@@H](c1nccs1)N1CC[NH+](C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000184670762 547863996 /nfs/dbraw/zinc/86/39/96/547863996.db2.gz GTFZNOGLVYKTLK-RDJZCZTQSA-N 1 2 372.494 2.133 20 30 FEEDLO C=C(C)C[C@H](C)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000185542902 548000504 /nfs/dbraw/zinc/00/05/04/548000504.db2.gz SJEWBVPYEIMXPX-IRXDYDNUSA-N 1 2 373.501 2.001 20 30 FEEDLO C=C(C)C[C@H](C)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000185542902 548000507 /nfs/dbraw/zinc/00/05/07/548000507.db2.gz SJEWBVPYEIMXPX-IRXDYDNUSA-N 1 2 373.501 2.001 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCC(O)(c2c(F)cccc2F)CC1 ZINC000186499210 548144535 /nfs/dbraw/zinc/14/45/35/548144535.db2.gz LJKYWCMHPGPJPV-SFHVURJKSA-N 1 2 365.424 2.303 20 30 FEEDLO O=S(=O)(c1ccccc1)N1CCC[N@H+](CC#Cc2ccccc2)CC1 ZINC000191960459 548353923 /nfs/dbraw/zinc/35/39/23/548353923.db2.gz UJSSGJBYLLEMLO-UHFFFAOYSA-N 1 2 354.475 2.435 20 30 FEEDLO O=S(=O)(c1ccccc1)N1CCC[N@@H+](CC#Cc2ccccc2)CC1 ZINC000191960459 548353928 /nfs/dbraw/zinc/35/39/28/548353928.db2.gz UJSSGJBYLLEMLO-UHFFFAOYSA-N 1 2 354.475 2.435 20 30 FEEDLO Cc1cc(C[NH+]2CCN(CC(=O)N3CCCC[C@H]3C)CC2)ccc1C#N ZINC000486792662 561356740 /nfs/dbraw/zinc/35/67/40/561356740.db2.gz VOIFHZIKYRQZOZ-GOSISDBHSA-N 1 2 354.498 2.385 20 30 FEEDLO Cc1cc(CN2CC[NH+](CC(=O)N3CCCC[C@H]3C)CC2)ccc1C#N ZINC000486792662 561356741 /nfs/dbraw/zinc/35/67/41/561356741.db2.gz VOIFHZIKYRQZOZ-GOSISDBHSA-N 1 2 354.498 2.385 20 30 FEEDLO C[N@@H+]1CCN(S(=O)(=O)Cc2cccc(C#N)c2)[C@@H](c2ccccc2)C1 ZINC000195547657 548654847 /nfs/dbraw/zinc/65/48/47/548654847.db2.gz LUDOIJYPZODUSO-LJQANCHMSA-N 1 2 355.463 2.377 20 30 FEEDLO C[N@H+]1CCN(S(=O)(=O)Cc2cccc(C#N)c2)[C@@H](c2ccccc2)C1 ZINC000195547657 548654849 /nfs/dbraw/zinc/65/48/49/548654849.db2.gz LUDOIJYPZODUSO-LJQANCHMSA-N 1 2 355.463 2.377 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1F ZINC000489087891 561403085 /nfs/dbraw/zinc/40/30/85/561403085.db2.gz KRZFSMQQKSWAMH-UHFFFAOYSA-N 1 2 359.426 2.204 20 30 FEEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCO[C@H](c2cnn(CC)c2)C1 ZINC000248707957 549488244 /nfs/dbraw/zinc/48/82/44/549488244.db2.gz HYSCQULEBVTMTG-CTNGQTDRSA-N 1 2 371.481 2.445 20 30 FEEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCO[C@H](c2cnn(CC)c2)C1 ZINC000248707957 549488248 /nfs/dbraw/zinc/48/82/48/549488248.db2.gz HYSCQULEBVTMTG-CTNGQTDRSA-N 1 2 371.481 2.445 20 30 FEEDLO CCC[C@]1(C)C(=O)NCC[N@@H+]1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000248722116 549490803 /nfs/dbraw/zinc/49/08/03/549490803.db2.gz GUYFJUOBEGOCTJ-FXAWDEMLSA-N 1 2 354.454 2.044 20 30 FEEDLO CCC[C@]1(C)C(=O)NCC[N@H+]1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000248722116 549490806 /nfs/dbraw/zinc/49/08/06/549490806.db2.gz GUYFJUOBEGOCTJ-FXAWDEMLSA-N 1 2 354.454 2.044 20 30 FEEDLO CO[C@@H]1CC[C@@H]2OCC[N@@H+]([C@H]3CCCN(c4ccc(C#N)cc4)C3=O)[C@@H]2C1 ZINC000248734758 549493066 /nfs/dbraw/zinc/49/30/66/549493066.db2.gz KKHOSXYXWAJQQX-WCIQWLHISA-N 1 2 369.465 2.322 20 30 FEEDLO CO[C@@H]1CC[C@@H]2OCC[N@H+]([C@H]3CCCN(c4ccc(C#N)cc4)C3=O)[C@@H]2C1 ZINC000248734758 549493068 /nfs/dbraw/zinc/49/30/68/549493068.db2.gz KKHOSXYXWAJQQX-WCIQWLHISA-N 1 2 369.465 2.322 20 30 FEEDLO COC[C@@H]1C[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C[C@H](C)O1 ZINC000251997876 549660532 /nfs/dbraw/zinc/66/05/32/549660532.db2.gz WJDMENANZROOQN-DAYGRLMNSA-N 1 2 363.433 2.197 20 30 FEEDLO COC[C@@H]1C[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C[C@H](C)O1 ZINC000251997876 549660534 /nfs/dbraw/zinc/66/05/34/549660534.db2.gz WJDMENANZROOQN-DAYGRLMNSA-N 1 2 363.433 2.197 20 30 FEEDLO COc1ccccc1[C@H](C)CC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000264224783 549993036 /nfs/dbraw/zinc/99/30/36/549993036.db2.gz WTBPXASBQSDMDD-QGZVFWFLSA-N 1 2 359.470 2.263 20 30 FEEDLO C=CCc1ccc(OC[C@@H](O)C[NH2+]C(C)(C)c2noc(C)n2)c(OC)c1 ZINC000264342761 549994663 /nfs/dbraw/zinc/99/46/63/549994663.db2.gz RQMYNZHOEWIWTN-HNNXBMFYSA-N 1 2 361.442 2.380 20 30 FEEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1ccccc1SCCC#N ZINC000264531885 549997390 /nfs/dbraw/zinc/99/73/90/549997390.db2.gz KHHXKCHWRQVWFU-ZDUSSCGKSA-N 1 2 357.439 2.032 20 30 FEEDLO C[N@H+](CC(=O)NC1(C#N)CCCCC1)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000264856984 550002220 /nfs/dbraw/zinc/00/22/20/550002220.db2.gz NHFBJYBSYLJFIX-QGZVFWFLSA-N 1 2 372.444 2.205 20 30 FEEDLO C[N@@H+](CC(=O)NC1(C#N)CCCCC1)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000264856984 550002221 /nfs/dbraw/zinc/00/22/21/550002221.db2.gz NHFBJYBSYLJFIX-QGZVFWFLSA-N 1 2 372.444 2.205 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)C[C@H]1CCc2ccccc2C1 ZINC000264912846 550003542 /nfs/dbraw/zinc/00/35/42/550003542.db2.gz JWBHVWGKWQQZTP-SFHVURJKSA-N 1 2 355.482 2.256 20 30 FEEDLO C=CC[N@@H+](CCc1ccco1)CC(=O)Nc1cc(-n2cnnn2)ccc1F ZINC000491314994 561444524 /nfs/dbraw/zinc/44/45/24/561444524.db2.gz GEUXHPAAULGDOT-UHFFFAOYSA-N 1 2 370.388 2.064 20 30 FEEDLO C=CC[N@H+](CCc1ccco1)CC(=O)Nc1cc(-n2cnnn2)ccc1F ZINC000491314994 561444525 /nfs/dbraw/zinc/44/45/25/561444525.db2.gz GEUXHPAAULGDOT-UHFFFAOYSA-N 1 2 370.388 2.064 20 30 FEEDLO CNC(=O)[C@H]1CCC[N@@H+]1CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC000268283581 550044895 /nfs/dbraw/zinc/04/48/95/550044895.db2.gz BTAMNFBIQVQUDZ-MRXNPFEDSA-N 1 2 362.861 2.106 20 30 FEEDLO CNC(=O)[C@H]1CCC[N@H+]1CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC000268283581 550044897 /nfs/dbraw/zinc/04/48/97/550044897.db2.gz BTAMNFBIQVQUDZ-MRXNPFEDSA-N 1 2 362.861 2.106 20 30 FEEDLO COCCC1(CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000269037228 550147462 /nfs/dbraw/zinc/14/74/62/550147462.db2.gz KXGAVJFPMVLBCJ-UHFFFAOYSA-N 1 2 356.470 2.202 20 30 FEEDLO CC(=O)c1cccc(NC(=O)[C@H](C)O[NH+]=C(N)c2ccc3c(c2)CCO3)c1 ZINC000269838780 550229464 /nfs/dbraw/zinc/22/94/64/550229464.db2.gz BFEHATRLQFPTAN-ZDUSSCGKSA-N 1 2 367.405 2.488 20 30 FEEDLO C=CCSc1ccccc1NC(=O)C[NH+]1CCC(O)(COC)CC1 ZINC000270355868 550265048 /nfs/dbraw/zinc/26/50/48/550265048.db2.gz IYRDQRXJQZYCNH-UHFFFAOYSA-N 1 2 350.484 2.377 20 30 FEEDLO C=CCOc1ccc(C[NH+]2CCN(c3nc(N)ns3)CC2)cc1OC ZINC000271293341 550362097 /nfs/dbraw/zinc/36/20/97/550362097.db2.gz RUQGJQXWNMGBRC-UHFFFAOYSA-N 1 2 361.471 2.016 20 30 FEEDLO CN(CCC#N)c1ccc(CNc2cnn(CC[NH+]3CCOCC3)c2)cc1 ZINC000271775286 550400891 /nfs/dbraw/zinc/40/08/91/550400891.db2.gz CLRGZQKRGPCSFH-UHFFFAOYSA-N 1 2 368.485 2.177 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)CN1CCc2c([nH+]cn2-c2ccccc2)C1 ZINC000272603180 550460088 /nfs/dbraw/zinc/46/00/88/550460088.db2.gz VJKLJTJNUFHQCF-FQEVSTJZSA-N 1 2 351.454 2.285 20 30 FEEDLO Cn1cc(-c2cc(C[NH+]3CCN(Cc4ccc(C#N)cc4)CC3)on2)cn1 ZINC000274378430 550534997 /nfs/dbraw/zinc/53/49/97/550534997.db2.gz DBNZFTUDQBMEMG-UHFFFAOYSA-N 1 2 362.437 2.265 20 30 FEEDLO Cn1cc(-c2cc(CN3CC[NH+](Cc4ccc(C#N)cc4)CC3)on2)cn1 ZINC000274378430 550534999 /nfs/dbraw/zinc/53/49/99/550534999.db2.gz DBNZFTUDQBMEMG-UHFFFAOYSA-N 1 2 362.437 2.265 20 30 FEEDLO CC[C@@H](CC#N)NC(=O)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000275821085 550574488 /nfs/dbraw/zinc/57/44/88/550574488.db2.gz QALYSAVYJIBYGJ-HNNXBMFYSA-N 1 2 363.421 2.349 20 30 FEEDLO C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](c2[nH]cc[nH+]2)C(C)C)c1 ZINC000276644897 550580844 /nfs/dbraw/zinc/58/08/44/550580844.db2.gz RGHMQMCRTPTSIY-OAHLLOKOSA-N 1 2 362.455 2.001 20 30 FEEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+]2C[C@H](O)C3(CC3)C2)c1C#N ZINC000494708304 561474810 /nfs/dbraw/zinc/47/48/10/561474810.db2.gz IVRNJPVQUCSASD-SFHVURJKSA-N 1 2 364.449 2.361 20 30 FEEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+]2C[C@H](O)C3(CC3)C2)c1C#N ZINC000494708304 561474811 /nfs/dbraw/zinc/47/48/11/561474811.db2.gz IVRNJPVQUCSASD-SFHVURJKSA-N 1 2 364.449 2.361 20 30 FEEDLO Cc1cc(C[NH+]2CCN(CC(=O)Nc3cc(Cl)ccc3C#N)CC2)on1 ZINC000277109146 550633049 /nfs/dbraw/zinc/63/30/49/550633049.db2.gz REENUTXUGPHZLG-UHFFFAOYSA-N 1 2 373.844 2.264 20 30 FEEDLO N#Cc1ccc(OC2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)cc1 ZINC000277349180 550659294 /nfs/dbraw/zinc/65/92/94/550659294.db2.gz GHDJAURDSXGZKB-UHFFFAOYSA-N 1 2 365.437 2.233 20 30 FEEDLO N#Cc1ccc(OC2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)cc1 ZINC000277349180 550659296 /nfs/dbraw/zinc/65/92/96/550659296.db2.gz GHDJAURDSXGZKB-UHFFFAOYSA-N 1 2 365.437 2.233 20 30 FEEDLO CO[C@@]1(C)CCC[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 ZINC000279442680 550891016 /nfs/dbraw/zinc/89/10/16/550891016.db2.gz YSHUYERNJAWERO-IBGZPJMESA-N 1 2 353.426 2.183 20 30 FEEDLO CO[C@@]1(C)CCC[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 ZINC000279442680 550891018 /nfs/dbraw/zinc/89/10/18/550891018.db2.gz YSHUYERNJAWERO-IBGZPJMESA-N 1 2 353.426 2.183 20 30 FEEDLO CC(C)(C(=O)NCC#Cc1ccc(C(F)(F)F)cc1)[NH+]1CCOCC1 ZINC000279479451 550894778 /nfs/dbraw/zinc/89/47/78/550894778.db2.gz QPQHHRAKXOWBDQ-UHFFFAOYSA-N 1 2 354.372 2.284 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2C[C@H](C)O[C@]3(CCOC3)C2)c1 ZINC000280271942 550975556 /nfs/dbraw/zinc/97/55/56/550975556.db2.gz CVPUCOULWQAFFP-GHTZIAJQSA-N 1 2 371.481 2.430 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2C[C@H](C)O[C@]3(CCOC3)C2)c1 ZINC000280271942 550975557 /nfs/dbraw/zinc/97/55/57/550975557.db2.gz CVPUCOULWQAFFP-GHTZIAJQSA-N 1 2 371.481 2.430 20 30 FEEDLO CC1(C)C[N@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@]2(CCOC2)O1 ZINC000280619113 551014096 /nfs/dbraw/zinc/01/40/96/551014096.db2.gz WJQYSFNRJNAMFR-GOSISDBHSA-N 1 2 363.845 2.420 20 30 FEEDLO CC1(C)C[N@@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@]2(CCOC2)O1 ZINC000280619113 551014097 /nfs/dbraw/zinc/01/40/97/551014097.db2.gz WJQYSFNRJNAMFR-GOSISDBHSA-N 1 2 363.845 2.420 20 30 FEEDLO COc1cccc(OCC[NH+]2CCN(C(=O)c3cc(C#N)oc3C)CC2)c1 ZINC000281254656 551078579 /nfs/dbraw/zinc/07/85/79/551078579.db2.gz JWDVUMHIKIIKIU-UHFFFAOYSA-N 1 2 369.421 2.305 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ccc(C(N)=S)cc3)CC2)cc1 ZINC000281299694 551082444 /nfs/dbraw/zinc/08/24/44/551082444.db2.gz RJFZIALEZRLRIV-UHFFFAOYSA-N 1 2 364.474 2.150 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N(C)Cc2c(F)cccc2Cl)C1=O ZINC000281323527 551084672 /nfs/dbraw/zinc/08/46/72/551084672.db2.gz LJPVDHZOKNZDOF-INIZCTEOSA-N 1 2 367.852 2.156 20 30 FEEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N(C)Cc2c(F)cccc2Cl)C1=O ZINC000281323527 551084674 /nfs/dbraw/zinc/08/46/74/551084674.db2.gz LJPVDHZOKNZDOF-INIZCTEOSA-N 1 2 367.852 2.156 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)C(=O)NC(=O)Nc2ccc(C)cc2C)C1=O ZINC000281341751 551086630 /nfs/dbraw/zinc/08/66/30/551086630.db2.gz MMOMVIGEOOVQHG-RDJZCZTQSA-N 1 2 372.469 2.059 20 30 FEEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)C(=O)NC(=O)Nc2ccc(C)cc2C)C1=O ZINC000281341751 551086631 /nfs/dbraw/zinc/08/66/31/551086631.db2.gz MMOMVIGEOOVQHG-RDJZCZTQSA-N 1 2 372.469 2.059 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000281560101 551113513 /nfs/dbraw/zinc/11/35/13/551113513.db2.gz NWBXWHDPXLPCIU-BQFCYCMXSA-N 1 2 374.485 2.292 20 30 FEEDLO Cc1cccc(CCNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000281616028 551121014 /nfs/dbraw/zinc/12/10/14/551121014.db2.gz PNARHZFPVDVSSL-UHFFFAOYSA-N 1 2 363.465 2.332 20 30 FEEDLO N#Cc1ncccc1S(=O)(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282468509 551233648 /nfs/dbraw/zinc/23/36/48/551233648.db2.gz WRSGTQIKOTWAII-AWEZNQCLSA-N 1 2 371.466 2.054 20 30 FEEDLO CC[NH+](CC)Cc1nc(C2(NC(=O)c3cc(C#N)ccn3)CCCC2)no1 ZINC000283126377 551315877 /nfs/dbraw/zinc/31/58/77/551315877.db2.gz UETNHTURJVFTRC-UHFFFAOYSA-N 1 2 368.441 2.377 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCCC[N@@H+](CC)c1ccccc1 ZINC000283473505 551372102 /nfs/dbraw/zinc/37/21/02/551372102.db2.gz LRWIPIISWKEUIY-HKUYNNGSSA-N 1 2 373.497 2.117 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCCC[N@H+](CC)c1ccccc1 ZINC000283473505 551372103 /nfs/dbraw/zinc/37/21/03/551372103.db2.gz LRWIPIISWKEUIY-HKUYNNGSSA-N 1 2 373.497 2.117 20 30 FEEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)NCCC[N@@H+](CC)c1ccccc1 ZINC000283473511 551372189 /nfs/dbraw/zinc/37/21/89/551372189.db2.gz LRWIPIISWKEUIY-PKOBYXMFSA-N 1 2 373.497 2.117 20 30 FEEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)NCCC[N@H+](CC)c1ccccc1 ZINC000283473511 551372191 /nfs/dbraw/zinc/37/21/91/551372191.db2.gz LRWIPIISWKEUIY-PKOBYXMFSA-N 1 2 373.497 2.117 20 30 FEEDLO Cn1c[nH+]cc1[C@H]1[C@H](C(=O)Nc2cccc(C#N)c2)CCC(=O)N1C1CC1 ZINC000284857960 551651993 /nfs/dbraw/zinc/65/19/93/551651993.db2.gz FAYLVGZUYOIAEO-VQIMIIECSA-N 1 2 363.421 2.373 20 30 FEEDLO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nc(Cl)c(C#N)s2)CC1 ZINC000286273638 551868392 /nfs/dbraw/zinc/86/83/92/551868392.db2.gz WPGLZLUNWDSBON-UHFFFAOYSA-N 1 2 355.895 2.049 20 30 FEEDLO CCN(CC)C(=O)C[N@H+]1CCCN(c2nc(Cl)c(C#N)s2)CC1 ZINC000286273638 551868394 /nfs/dbraw/zinc/86/83/94/551868394.db2.gz WPGLZLUNWDSBON-UHFFFAOYSA-N 1 2 355.895 2.049 20 30 FEEDLO CNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000286682825 551914148 /nfs/dbraw/zinc/91/41/48/551914148.db2.gz CJELHYUNBGPDNT-OAHLLOKOSA-N 1 2 355.398 2.319 20 30 FEEDLO CNC(=O)OC[C@H]1CCCC[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000286682825 551914150 /nfs/dbraw/zinc/91/41/50/551914150.db2.gz CJELHYUNBGPDNT-OAHLLOKOSA-N 1 2 355.398 2.319 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(c3nnc(-c4ccon4)s3)CC2)cc1 ZINC000286927444 551941191 /nfs/dbraw/zinc/94/11/91/551941191.db2.gz LICQMHKCPQWGTR-UHFFFAOYSA-N 1 2 352.423 2.387 20 30 FEEDLO CCOc1ccc(C#N)cc1NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000287183263 551974001 /nfs/dbraw/zinc/97/40/01/551974001.db2.gz XZEKVKYMGKGVQF-ZBFHGGJFSA-N 1 2 358.442 2.284 20 30 FEEDLO N#Cc1nc(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)[nH]c1C#N ZINC000287686980 552034332 /nfs/dbraw/zinc/03/43/32/552034332.db2.gz SYKSHQMIVOIINA-CYBMUJFWSA-N 1 2 370.363 2.249 20 30 FEEDLO N#Cc1nc(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)[nH]c1C#N ZINC000287686980 552034334 /nfs/dbraw/zinc/03/43/34/552034334.db2.gz SYKSHQMIVOIINA-CYBMUJFWSA-N 1 2 370.363 2.249 20 30 FEEDLO Cc1onc(CC(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)c1C#N ZINC000499979108 561563331 /nfs/dbraw/zinc/56/33/31/561563331.db2.gz BNXIIEKICJXDGR-UHFFFAOYSA-N 1 2 353.426 2.489 20 30 FEEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)Nc2ccnn2CC2CCCCC2)C1=O ZINC000500017493 561564162 /nfs/dbraw/zinc/56/41/62/561564162.db2.gz JFXODVPVEZTDTA-QGZVFWFLSA-N 1 2 373.501 2.121 20 30 FEEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccnn2CC2CCCCC2)C1=O ZINC000500017493 561564163 /nfs/dbraw/zinc/56/41/63/561564163.db2.gz JFXODVPVEZTDTA-QGZVFWFLSA-N 1 2 373.501 2.121 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+](CCC(F)(F)F)CC2CC2)nc1 ZINC000290163740 552436950 /nfs/dbraw/zinc/43/69/50/552436950.db2.gz DIHFODDGRLPCQX-UHFFFAOYSA-N 1 2 361.389 2.391 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+](CCC(F)(F)F)CC2CC2)nc1 ZINC000290163740 552436952 /nfs/dbraw/zinc/43/69/52/552436952.db2.gz DIHFODDGRLPCQX-UHFFFAOYSA-N 1 2 361.389 2.391 20 30 FEEDLO C[C@H](C(=O)Nc1cccnc1Cl)[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292102549 552694229 /nfs/dbraw/zinc/69/42/29/552694229.db2.gz GMMXOUZNVSOQQR-OCCSQVGLSA-N 1 2 371.828 2.482 20 30 FEEDLO C[C@H](C(=O)Nc1cccnc1Cl)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292102549 552694230 /nfs/dbraw/zinc/69/42/30/552694230.db2.gz GMMXOUZNVSOQQR-OCCSQVGLSA-N 1 2 371.828 2.482 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCCC[C@H]1c1[nH+]ccn1CC ZINC000292299497 552713413 /nfs/dbraw/zinc/71/34/13/552713413.db2.gz KFWXVOAPFFQFFI-IKGGRYGDSA-N 1 2 374.485 2.054 20 30 FEEDLO N#C[C@H]1CC[C@@H]([NH+]2CCN(S(=O)(=O)c3ccc(F)c(F)c3F)CC2)C1 ZINC000293424061 552822296 /nfs/dbraw/zinc/82/22/96/552822296.db2.gz IXGNYROGBLKBSZ-NWDGAFQWSA-N 1 2 373.400 2.102 20 30 FEEDLO N#C[C@@H]1CC[C@@H]([NH+]2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)C1 ZINC000293556585 552835261 /nfs/dbraw/zinc/83/52/61/552835261.db2.gz RPQWGMTXTZCGOG-CHWSQXEVSA-N 1 2 371.865 2.478 20 30 FEEDLO C[C@@H]1CN(c2ccc(CNC(=O)[C@@]3(C#N)CC34CCCC4)c[nH+]2)CCO1 ZINC000294546008 552914613 /nfs/dbraw/zinc/91/46/13/552914613.db2.gz QORCUPHWTOZFSA-QRWLVFNGSA-N 1 2 354.454 2.397 20 30 FEEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCC[C@H](OC(=O)N(C)C)C1 ZINC000295717591 553049361 /nfs/dbraw/zinc/04/93/61/553049361.db2.gz VBVSFRAADPIEQT-AEFFLSMTSA-N 1 2 372.469 2.484 20 30 FEEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCC[C@H](OC(=O)N(C)C)C1 ZINC000295717591 553049363 /nfs/dbraw/zinc/04/93/63/553049363.db2.gz VBVSFRAADPIEQT-AEFFLSMTSA-N 1 2 372.469 2.484 20 30 FEEDLO C#Cc1ccc(CNC(=O)NCc2ccc(N3CCO[C@H](C)C3)[nH+]c2)cc1 ZINC000296464081 553164266 /nfs/dbraw/zinc/16/42/66/553164266.db2.gz WIPISDZIZCOYBL-MRXNPFEDSA-N 1 2 364.449 2.287 20 30 FEEDLO C=CCN(CC=C)C(=O)NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000502870995 561628647 /nfs/dbraw/zinc/62/86/47/561628647.db2.gz MKQDAEICKXXCTR-UHFFFAOYSA-N 1 2 362.518 2.095 20 30 FEEDLO N#Cc1ccsc1NC(=O)C[N@@H+](Cc1cccc(C(N)=O)c1)C1CC1 ZINC000296745835 553205992 /nfs/dbraw/zinc/20/59/92/553205992.db2.gz ONKIANCBAIYHOC-UHFFFAOYSA-N 1 2 354.435 2.322 20 30 FEEDLO N#Cc1ccsc1NC(=O)C[N@H+](Cc1cccc(C(N)=O)c1)C1CC1 ZINC000296745835 553205994 /nfs/dbraw/zinc/20/59/94/553205994.db2.gz ONKIANCBAIYHOC-UHFFFAOYSA-N 1 2 354.435 2.322 20 30 FEEDLO Cc1cc(C(=O)NCc2ccc[nH+]c2N(C)C)nn1-c1cccc(C#N)c1 ZINC000502922325 561630018 /nfs/dbraw/zinc/63/00/18/561630018.db2.gz YXULZKUDVIIVOO-UHFFFAOYSA-N 1 2 360.421 2.443 20 30 FEEDLO C[C@@H](c1ccccc1)N(C)C(=O)C[N@H+](C)CC(=O)NC1(C#N)CCCCC1 ZINC000503207434 561636675 /nfs/dbraw/zinc/63/66/75/561636675.db2.gz JGHJKFPBTCMAJO-KRWDZBQOSA-N 1 2 370.497 2.480 20 30 FEEDLO C[C@@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)CC(=O)NC1(C#N)CCCCC1 ZINC000503207434 561636676 /nfs/dbraw/zinc/63/66/76/561636676.db2.gz JGHJKFPBTCMAJO-KRWDZBQOSA-N 1 2 370.497 2.480 20 30 FEEDLO C=CCCCN(C)C(=O)C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000297733170 553331682 /nfs/dbraw/zinc/33/16/82/553331682.db2.gz JDQBXAWLIRJAGM-UHFFFAOYSA-N 1 2 358.486 2.350 20 30 FEEDLO Cc1cc(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)nn1-c1cccc(C#N)c1 ZINC000503369474 561640172 /nfs/dbraw/zinc/64/01/72/561640172.db2.gz MQHHUGMRSOTZRU-QGZVFWFLSA-N 1 2 372.432 2.456 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCCN(C=O)CC2)c1 ZINC000298192837 553396684 /nfs/dbraw/zinc/39/66/84/553396684.db2.gz XAPGOXQHWKKRCI-SFHVURJKSA-N 1 2 356.470 2.103 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CCCN(C=O)CC2)c1 ZINC000298192837 553396685 /nfs/dbraw/zinc/39/66/85/553396685.db2.gz XAPGOXQHWKKRCI-SFHVURJKSA-N 1 2 356.470 2.103 20 30 FEEDLO N#Cc1ccc(SCC(=O)N2CC[NH+](Cc3cccs3)CC2)nc1 ZINC000298286217 553408042 /nfs/dbraw/zinc/40/80/42/553408042.db2.gz CUDNSJDOBGNPDJ-UHFFFAOYSA-N 1 2 358.492 2.451 20 30 FEEDLO C[C@]12CC[N@H+](CC(=O)[C@@H](C#N)c3nc4ccccc4c(=O)[nH]3)C[C@H]1C2(F)F ZINC000298343985 553414473 /nfs/dbraw/zinc/41/44/73/553414473.db2.gz SKCOXVQFTBQKFY-DWQUBVKVSA-N 1 2 372.375 2.489 20 30 FEEDLO C[C@]12CC[N@@H+](CC(=O)[C@@H](C#N)c3nc4ccccc4c(=O)[nH]3)C[C@H]1C2(F)F ZINC000298343985 553414474 /nfs/dbraw/zinc/41/44/74/553414474.db2.gz SKCOXVQFTBQKFY-DWQUBVKVSA-N 1 2 372.375 2.489 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CCn3cc(Cl)cn3)CC2)cc1 ZINC000298777515 553471498 /nfs/dbraw/zinc/47/14/98/553471498.db2.gz JUWXUEVASVEHOI-UHFFFAOYSA-N 1 2 357.845 2.143 20 30 FEEDLO CCOc1ccc(NC(=O)CO[NH+]=C(N)c2ccc(OC)c(OC)c2)cc1 ZINC000298786519 553472576 /nfs/dbraw/zinc/47/25/76/553472576.db2.gz ZGNSFMDEDSIBNN-UHFFFAOYSA-N 1 2 373.409 2.378 20 30 FEEDLO CCN(CC)c1ccc(CNS(=O)(=O)Cc2ccc(C#N)cc2)c[nH+]1 ZINC000298865830 553482681 /nfs/dbraw/zinc/48/26/81/553482681.db2.gz STSJUCLLJLIPCG-UHFFFAOYSA-N 1 2 358.467 2.419 20 30 FEEDLO C=CCCCN(C)C(=O)C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000299456417 553565836 /nfs/dbraw/zinc/56/58/36/553565836.db2.gz ZPNDTEZVXSIXTM-UHFFFAOYSA-N 1 2 356.426 2.325 20 30 FEEDLO N#Cc1cnc2ccccc2c1N1CC[NH+]([C@H](C(N)=O)c2ccccc2)CC1 ZINC000301126011 553624039 /nfs/dbraw/zinc/62/40/39/553624039.db2.gz OJEHYTSKUDDURB-NRFANRHFSA-N 1 2 371.444 2.455 20 30 FEEDLO C[C@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN(c3ccc(F)cc3C#N)CC2)C1 ZINC000301156728 553626312 /nfs/dbraw/zinc/62/63/12/553626312.db2.gz ANQWYADWRPKNOZ-HOTGVXAUSA-N 1 2 358.461 2.324 20 30 FEEDLO N#Cc1ccc2nc(N3CC[NH+]([C@H](C(N)=O)c4ccccc4)CC3)ccc2c1 ZINC000301833888 553683838 /nfs/dbraw/zinc/68/38/38/553683838.db2.gz VGVTXKXNPJKYHD-NRFANRHFSA-N 1 2 371.444 2.455 20 30 FEEDLO N#Cc1cc2c(nc1NC[C@]1([NH+]3CCOCC3)CCSC1)CCCC2 ZINC000301886775 553688638 /nfs/dbraw/zinc/68/86/38/553688638.db2.gz MKXMWJLGXNQAQX-LJQANCHMSA-N 1 2 358.511 2.452 20 30 FEEDLO C[C@@H]1CCC[C@H]1NC(=O)N(C)C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1 ZINC000328692771 553808460 /nfs/dbraw/zinc/80/84/60/553808460.db2.gz FLDSAMRWTYUGMB-BSWAZPDLSA-N 1 2 351.470 2.367 20 30 FEEDLO C[C@@H]1CCC[C@H]1NC(=O)N(C)C[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1 ZINC000328692771 553808461 /nfs/dbraw/zinc/80/84/61/553808461.db2.gz FLDSAMRWTYUGMB-BSWAZPDLSA-N 1 2 351.470 2.367 20 30 FEEDLO Cn1cc[nH+]c1[C@@H]1CCN(S(=O)(=O)c2cccc(C(=O)NC3CC3)c2)C1 ZINC000328876652 553837417 /nfs/dbraw/zinc/83/74/17/553837417.db2.gz SQIRXAWJIVVTOO-CQSZACIVSA-N 1 2 374.466 2.065 20 30 FEEDLO C[N@@H+]1CCN(S(=O)(=O)c2ccc(C#N)cc2)C[C@H]1Cc1ccccc1 ZINC000328885623 553838666 /nfs/dbraw/zinc/83/86/66/553838666.db2.gz OKUXBFPKFITCEI-GOSISDBHSA-N 1 2 355.463 2.106 20 30 FEEDLO C[N@H+]1CCN(S(=O)(=O)c2ccc(C#N)cc2)C[C@H]1Cc1ccccc1 ZINC000328885623 553838667 /nfs/dbraw/zinc/83/86/67/553838667.db2.gz OKUXBFPKFITCEI-GOSISDBHSA-N 1 2 355.463 2.106 20 30 FEEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)N1CCN(c3ncccc3F)CC1)CCC2 ZINC000328888447 553838946 /nfs/dbraw/zinc/83/89/46/553838946.db2.gz QDEPZERCGFWWPP-OAHLLOKOSA-N 1 2 372.448 2.339 20 30 FEEDLO Cc1ccc(C#N)cc1S(=O)(=O)N1CC[N@@H+](C)[C@H](Cc2ccccc2)C1 ZINC000328894498 553840082 /nfs/dbraw/zinc/84/00/82/553840082.db2.gz UWNCXUJWEKTSSK-LJQANCHMSA-N 1 2 369.490 2.414 20 30 FEEDLO Cc1ccc(C#N)cc1S(=O)(=O)N1CC[N@H+](C)[C@H](Cc2ccccc2)C1 ZINC000328894498 553840085 /nfs/dbraw/zinc/84/00/85/553840085.db2.gz UWNCXUJWEKTSSK-LJQANCHMSA-N 1 2 369.490 2.414 20 30 FEEDLO Cc1ccn(-c2ccccc2NC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)n1 ZINC000329005867 553863204 /nfs/dbraw/zinc/86/32/04/553863204.db2.gz YUCYJUQLKOFCTI-QZTJIDSGSA-N 1 2 355.442 2.131 20 30 FEEDLO Cc1ccn(-c2ccccc2NC(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)n1 ZINC000329005867 553863208 /nfs/dbraw/zinc/86/32/08/553863208.db2.gz YUCYJUQLKOFCTI-QZTJIDSGSA-N 1 2 355.442 2.131 20 30 FEEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@@H]1CCO[C@H]1c1ccc(F)cc1 ZINC000329010418 553864020 /nfs/dbraw/zinc/86/40/20/553864020.db2.gz DJEDQJDOYSSVOQ-HFTRVMKXSA-N 1 2 365.449 2.128 20 30 FEEDLO Cn1cnnc1[C@@H]1CCCN1C(=O)N[C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000329034007 553868263 /nfs/dbraw/zinc/86/82/63/553868263.db2.gz YAEMQDCTPPYUBP-KBPBESRZSA-N 1 2 371.489 2.375 20 30 FEEDLO CCN(C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1)C1CCCC1 ZINC000329063047 553873721 /nfs/dbraw/zinc/87/37/21/553873721.db2.gz VGMCNHKDXPPJTL-UHFFFAOYSA-N 1 2 359.474 2.279 20 30 FEEDLO CCN1CCOC[C@@H]1C(=O)NC[C@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000329100841 553880376 /nfs/dbraw/zinc/88/03/76/553880376.db2.gz ZOZYOBKFAJMHNR-RTBURBONSA-N 1 2 361.486 2.046 20 30 FEEDLO O=C(Nc1cccc(C[NH+]2CCC(O)CC2)c1)[C@H]1CCc2nn[nH]c2C1 ZINC000329166180 553893354 /nfs/dbraw/zinc/89/33/54/553893354.db2.gz HYGKHNFEWMBKKN-AWEZNQCLSA-N 1 2 355.442 2.155 20 30 FEEDLO Cn1c[nH+]cc1[C@H]1[C@H](NC(=O)N2CC[C@@H](C3CC3)C2)CCC(=O)N1C1CC1 ZINC000329235478 553908242 /nfs/dbraw/zinc/90/82/42/553908242.db2.gz NOSCNOFEYFAFLR-IDHHARJASA-N 1 2 371.485 2.261 20 30 FEEDLO COC1(C)CCN(C(=O)N[C@@H](c2[nH+]ccn2C)C2CCOCC2)CC1 ZINC000329236832 553908295 /nfs/dbraw/zinc/90/82/95/553908295.db2.gz OOYAMRRTJCAFPT-OAHLLOKOSA-N 1 2 350.463 2.303 20 30 FEEDLO CC(C)(C)[C@@H]1NC(=O)CC[C@H]1NC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000329248011 553910670 /nfs/dbraw/zinc/91/06/70/553910670.db2.gz WMPAQJKVHDAUEW-UKRRQHHQSA-N 1 2 354.495 2.134 20 30 FEEDLO CC(C)(C)[C@@H]1NC(=O)CC[C@H]1NC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000329248011 553910672 /nfs/dbraw/zinc/91/06/72/553910672.db2.gz WMPAQJKVHDAUEW-UKRRQHHQSA-N 1 2 354.495 2.134 20 30 FEEDLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000329272933 553915068 /nfs/dbraw/zinc/91/50/68/553915068.db2.gz IAFXSUBLGKZZPA-QAPCUYQASA-N 1 2 374.485 2.394 20 30 FEEDLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)COc1cccc2c1OC(C)(C)C2 ZINC000329313433 553923404 /nfs/dbraw/zinc/92/34/04/553923404.db2.gz QBODLBJYUMNNQS-OAHLLOKOSA-N 1 2 361.486 2.371 20 30 FEEDLO Cc1cc(NC(=O)NCC[NH+]2CCOCC2)cnc1N1CCCC[C@@H]1C ZINC000329314531 553923413 /nfs/dbraw/zinc/92/34/13/553923413.db2.gz HAJKOWHHBGIKAY-INIZCTEOSA-N 1 2 361.490 2.427 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1ccc([C@@H]2CCCOC2)cc1 ZINC000506483276 561699998 /nfs/dbraw/zinc/69/99/98/561699998.db2.gz VPDQJXOWMYWCSO-HXUWFJFHSA-N 1 2 371.481 2.269 20 30 FEEDLO CCC1(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCOCC1 ZINC000329428014 553944778 /nfs/dbraw/zinc/94/47/78/553944778.db2.gz JKYVEXDPVDTESR-UHFFFAOYSA-N 1 2 374.485 2.284 20 30 FEEDLO C[N@@H+](CC(=O)NC1(c2ccccc2)CCC1)C[C@H]1CCS(=O)(=O)C1 ZINC000329440873 553947833 /nfs/dbraw/zinc/94/78/33/553947833.db2.gz AIGGMTUXKMYUNA-OAHLLOKOSA-N 1 2 350.484 2.389 20 30 FEEDLO C[N@H+](CC(=O)NC1(c2ccccc2)CCC1)C[C@H]1CCS(=O)(=O)C1 ZINC000329440873 553947837 /nfs/dbraw/zinc/94/78/37/553947837.db2.gz AIGGMTUXKMYUNA-OAHLLOKOSA-N 1 2 350.484 2.389 20 30 FEEDLO C[C@H]1CCN(C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)C[C@H](C)C1 ZINC000329443284 553947875 /nfs/dbraw/zinc/94/78/75/553947875.db2.gz NKPCMHREUGZKBU-JKSUJKDBSA-N 1 2 373.501 2.383 20 30 FEEDLO C[C@@H]1CN(C(=O)N[C@H](c2[nH+]ccn2C)C2CCOCC2)C[C@@H](C2CC2)O1 ZINC000329510106 553959286 /nfs/dbraw/zinc/95/92/86/553959286.db2.gz XJGJDWLGNPQNAG-COXVUDFISA-N 1 2 362.474 2.301 20 30 FEEDLO C[C@H](C(=O)Nc1ccccc1OC(F)F)[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000329692527 553989818 /nfs/dbraw/zinc/98/98/18/553989818.db2.gz WONHBOSRBRWJTL-CHWSQXEVSA-N 1 2 355.385 2.281 20 30 FEEDLO C[C@H](C(=O)Nc1ccccc1OC(F)F)[N@H+]1CCN2CCOC[C@H]2C1 ZINC000329692527 553989820 /nfs/dbraw/zinc/98/98/20/553989820.db2.gz WONHBOSRBRWJTL-CHWSQXEVSA-N 1 2 355.385 2.281 20 30 FEEDLO Cc1nc([C@@H]2CCCN(C(=O)NC[C@@H]3C[N@H+](C)CCO3)C2)sc1C ZINC000329748312 553998930 /nfs/dbraw/zinc/99/89/30/553998930.db2.gz SVGAVLKMIYCIQM-HUUCEWRRSA-N 1 2 352.504 2.184 20 30 FEEDLO Cc1nc([C@@H]2CCCN(C(=O)NC[C@@H]3C[N@@H+](C)CCO3)C2)sc1C ZINC000329748312 553998931 /nfs/dbraw/zinc/99/89/31/553998931.db2.gz SVGAVLKMIYCIQM-HUUCEWRRSA-N 1 2 352.504 2.184 20 30 FEEDLO CCC[C@@H]1CCCCN1C(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000329813773 554010788 /nfs/dbraw/zinc/01/07/88/554010788.db2.gz DNSQFOIJQABATQ-GOSISDBHSA-N 1 2 364.534 2.499 20 30 FEEDLO CN(Cc1ccccc1)C(=O)C[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000507182215 561720293 /nfs/dbraw/zinc/72/02/93/561720293.db2.gz UCCSBTNJMFDIIP-UHFFFAOYSA-N 1 2 366.440 2.478 20 30 FEEDLO COc1ccc(CNC(=O)C[N@@H+]2CCO[C@]3(CCO[C@H]3C)C2)cc1OC ZINC000329915582 554030928 /nfs/dbraw/zinc/03/09/28/554030928.db2.gz PRZJYBPKXJVBBJ-IFXJQAMLSA-N 1 2 364.442 2.040 20 30 FEEDLO COc1ccc(CNC(=O)C[N@H+]2CCO[C@]3(CCO[C@H]3C)C2)cc1OC ZINC000329915582 554030929 /nfs/dbraw/zinc/03/09/29/554030929.db2.gz PRZJYBPKXJVBBJ-IFXJQAMLSA-N 1 2 364.442 2.040 20 30 FEEDLO COc1cc2nc(C)sc2cc1NC(=O)N1C[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000329922542 554032135 /nfs/dbraw/zinc/03/21/35/554032135.db2.gz IARFHZTVOYEYSQ-UKRRQHHQSA-N 1 2 362.455 2.174 20 30 FEEDLO COc1cc2nc(C)sc2cc1NC(=O)N1C[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000329922542 554032138 /nfs/dbraw/zinc/03/21/38/554032138.db2.gz IARFHZTVOYEYSQ-UKRRQHHQSA-N 1 2 362.455 2.174 20 30 FEEDLO C[C@H]1C[N@H+](CC(=O)NC(=O)Nc2ccc3c(c2)OCO3)C[C@@H](C2CC2)O1 ZINC000329929013 554033529 /nfs/dbraw/zinc/03/35/29/554033529.db2.gz YKQIYPXNUATTLW-ZBEGNZNMSA-N 1 2 361.398 2.417 20 30 FEEDLO C[C@H]1C[N@@H+](CC(=O)NC(=O)Nc2ccc3c(c2)OCO3)C[C@@H](C2CC2)O1 ZINC000329929013 554033533 /nfs/dbraw/zinc/03/35/33/554033533.db2.gz YKQIYPXNUATTLW-ZBEGNZNMSA-N 1 2 361.398 2.417 20 30 FEEDLO C[C@H](C(=O)Nc1ccccc1OC(F)F)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000329933346 554034274 /nfs/dbraw/zinc/03/42/74/554034274.db2.gz PYPVZEWBWPEPSN-OSAQELSMSA-N 1 2 355.385 2.279 20 30 FEEDLO C[C@H](C(=O)Nc1ccccc1OC(F)F)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000329933346 554034276 /nfs/dbraw/zinc/03/42/76/554034276.db2.gz PYPVZEWBWPEPSN-OSAQELSMSA-N 1 2 355.385 2.279 20 30 FEEDLO C[C@H](C(=O)Nc1ccccc1OC(F)F)[N@@H+]1C[C@H]2OCCN(C)[C@H]2C1 ZINC000329933346 554034278 /nfs/dbraw/zinc/03/42/78/554034278.db2.gz PYPVZEWBWPEPSN-OSAQELSMSA-N 1 2 355.385 2.279 20 30 FEEDLO C[C@H](C(=O)Nc1ccccc1OC(F)F)[N@H+]1C[C@H]2OCCN(C)[C@H]2C1 ZINC000329933346 554034280 /nfs/dbraw/zinc/03/42/80/554034280.db2.gz PYPVZEWBWPEPSN-OSAQELSMSA-N 1 2 355.385 2.279 20 30 FEEDLO Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNC(=O)NC[C@H]1CCSC1 ZINC000329961935 554039882 /nfs/dbraw/zinc/03/98/82/554039882.db2.gz SKQLQOZVERYLOL-ILXRZTDVSA-N 1 2 370.494 2.461 20 30 FEEDLO Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNC(=O)NC[C@H]1CCSC1 ZINC000329961935 554039885 /nfs/dbraw/zinc/03/98/85/554039885.db2.gz SKQLQOZVERYLOL-ILXRZTDVSA-N 1 2 370.494 2.461 20 30 FEEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)NC[C@@H]3CCCO[C@@H]3c3ccccc3)C[C@H]21 ZINC000329967073 554041111 /nfs/dbraw/zinc/04/11/11/554041111.db2.gz VZUWMACZLAJEPR-WJFTUGDTSA-N 1 2 359.470 2.083 20 30 FEEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)NC[C@@H]3CCCO[C@@H]3c3ccccc3)C[C@H]21 ZINC000329967073 554041115 /nfs/dbraw/zinc/04/11/15/554041115.db2.gz VZUWMACZLAJEPR-WJFTUGDTSA-N 1 2 359.470 2.083 20 30 FEEDLO Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1CNC(=O)N[C@@H]1CCCC1(C)C ZINC000329987819 554044720 /nfs/dbraw/zinc/04/47/20/554044720.db2.gz SWNIGJHRYHIZOD-SOUVJXGZSA-N 1 2 351.470 2.415 20 30 FEEDLO CCN1CCN(C(=O)NCCc2nc(C)c(C)s2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329990853 554045098 /nfs/dbraw/zinc/04/50/98/554045098.db2.gz JJOZRHHQAHTCAU-CQSZACIVSA-N 1 2 362.503 2.318 20 30 FEEDLO Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNC(=O)[C@@H]1CCCN1C(N)=O ZINC000329989198 554045137 /nfs/dbraw/zinc/04/51/37/554045137.db2.gz UYJDQWBPDHQDAP-YDHLFZDLSA-N 1 2 367.425 2.118 20 30 FEEDLO Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNC(=O)[C@@H]1CCCN1C(N)=O ZINC000329989198 554045139 /nfs/dbraw/zinc/04/51/39/554045139.db2.gz UYJDQWBPDHQDAP-YDHLFZDLSA-N 1 2 367.425 2.118 20 30 FEEDLO CC(=O)N1CC[NH+](CCNC(=O)C2CCC(NC(=O)C3CC3)CC2)CC1 ZINC000330033587 554052430 /nfs/dbraw/zinc/05/24/30/554052430.db2.gz VSGLKCXCKTZGAB-UHFFFAOYSA-N 1 2 364.490 2.032 20 30 FEEDLO CCN1CCN(C(=O)Nc2cccc(C(=O)N(C)C)c2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000330060944 554057005 /nfs/dbraw/zinc/05/70/05/554057005.db2.gz NNXSAADMPJNHKJ-MRXNPFEDSA-N 1 2 370.457 2.036 20 30 FEEDLO O=C(N[C@@H]1CCCc2cn[nH]c21)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000330111895 554066591 /nfs/dbraw/zinc/06/65/91/554066591.db2.gz BKSGXSAORQTPOR-QGZVFWFLSA-N 1 2 361.490 2.135 20 30 FEEDLO Cc1ccc(NC(=O)N2CCC[C@H]2c2nc(C(=O)NC3CC3)no2)c(C)[nH+]1 ZINC000330150693 554074669 /nfs/dbraw/zinc/07/46/69/554074669.db2.gz KXHXVYRERYSQKA-AWEZNQCLSA-N 1 2 370.413 2.356 20 30 FEEDLO CNC(=O)[C@H](NC(=O)C[N@@H+]1C[C@H](C)O[C@]2(CCOC2)C1)c1ccccc1 ZINC000330156370 554075859 /nfs/dbraw/zinc/07/58/59/554075859.db2.gz OPMLEKBDHUJMKE-POZUXBRTSA-N 1 2 361.442 2.150 20 30 FEEDLO CNC(=O)[C@H](NC(=O)C[N@H+]1C[C@H](C)O[C@]2(CCOC2)C1)c1ccccc1 ZINC000330156370 554075863 /nfs/dbraw/zinc/07/58/63/554075863.db2.gz OPMLEKBDHUJMKE-POZUXBRTSA-N 1 2 361.442 2.150 20 30 FEEDLO C[C@H](C(=O)NC1CCCC1)N1CC[NH+](CCOc2cccc(C#N)c2)CC1 ZINC000507749498 561739792 /nfs/dbraw/zinc/73/97/92/561739792.db2.gz SOZDTJLVKKYKFU-QGZVFWFLSA-N 1 2 370.497 2.002 20 30 FEEDLO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(CCOc2cccc(C#N)c2)CC1 ZINC000507749498 561739793 /nfs/dbraw/zinc/73/97/93/561739793.db2.gz SOZDTJLVKKYKFU-QGZVFWFLSA-N 1 2 370.497 2.002 20 30 FEEDLO Cc1nnnn1-c1cc(NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)ccc1F ZINC000330262139 554095011 /nfs/dbraw/zinc/09/50/11/554095011.db2.gz USSVQHJPLYMXKE-UHFFFAOYSA-N 1 2 370.392 2.258 20 30 FEEDLO N#Cc1ccc(N2CC[NH+](C[C@@H](O)COc3ccccc3F)CC2)c(F)c1 ZINC000507768694 561740415 /nfs/dbraw/zinc/74/04/15/561740415.db2.gz HZFNIBRMBUVTIU-MRXNPFEDSA-N 1 2 373.403 2.398 20 30 FEEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)CCO1 ZINC000330318591 554104571 /nfs/dbraw/zinc/10/45/71/554104571.db2.gz CMGLULGJKZGFGC-LRCAOYNASA-N 1 2 364.471 2.051 20 30 FEEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)CN2Cc3ccccc3C2=O)CCO1 ZINC000330329384 554106522 /nfs/dbraw/zinc/10/65/22/554106522.db2.gz MMMBRAKCDBIQCC-PBHICJAKSA-N 1 2 354.410 2.253 20 30 FEEDLO C[C@H](NC(=O)C1CCCCC1)C(=O)N1CCN(C)[C@@H](c2[nH+]ccn2C)C1 ZINC000330337837 554107298 /nfs/dbraw/zinc/10/72/98/554107298.db2.gz UNAFUKARFBWJBI-GOEBONIOSA-N 1 2 361.490 2.161 20 30 FEEDLO Cn1cc[nH+]c1[C@@H]1CN(C(=O)Nc2cnc3c(c2)CCCC3)CCN1C ZINC000330339710 554107776 /nfs/dbraw/zinc/10/77/76/554107776.db2.gz WZJCCNWQKASGBF-KRWDZBQOSA-N 1 2 354.458 2.228 20 30 FEEDLO COC[C@@H]1C[N@H+](CC(=O)NC(=O)Nc2cccc(C)c2C)CC(C)(C)O1 ZINC000330528156 554133838 /nfs/dbraw/zinc/13/38/38/554133838.db2.gz LNLTUFVQSRAHNF-HNNXBMFYSA-N 1 2 363.458 2.091 20 30 FEEDLO COC[C@@H]1C[N@@H+](CC(=O)NC(=O)Nc2cccc(C)c2C)CC(C)(C)O1 ZINC000330528156 554133841 /nfs/dbraw/zinc/13/38/41/554133841.db2.gz LNLTUFVQSRAHNF-HNNXBMFYSA-N 1 2 363.458 2.091 20 30 FEEDLO CC(=O)N1CC[NH+](CCNC(=O)c2c(C)cccc2Br)CC1 ZINC000330889829 554183396 /nfs/dbraw/zinc/18/33/96/554183396.db2.gz VPJWRUUALZZPHQ-UHFFFAOYSA-N 1 2 368.275 2.226 20 30 FEEDLO CC(=O)N1CC[NH+](CCNC(=O)c2cc(C)sc2Br)CC1 ZINC000330960544 554194711 /nfs/dbraw/zinc/19/47/11/554194711.db2.gz FLTNZIWAHAYYDJ-UHFFFAOYSA-N 1 2 374.304 2.288 20 30 FEEDLO CSc1nc(C(C)(C)C)nc(C)c1C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000331006380 554200069 /nfs/dbraw/zinc/20/00/69/554200069.db2.gz ZLVFMKDTTSGFOB-LBPRGKRZSA-N 1 2 352.504 2.440 20 30 FEEDLO CSc1nc(C(C)(C)C)nc(C)c1C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000331006380 554200071 /nfs/dbraw/zinc/20/00/71/554200071.db2.gz ZLVFMKDTTSGFOB-LBPRGKRZSA-N 1 2 352.504 2.440 20 30 FEEDLO C=CCn1c(Cc2ccsc2)nnc1N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000508475022 561763222 /nfs/dbraw/zinc/76/32/22/561763222.db2.gz XLPZOQLEPQGLBY-MRXNPFEDSA-N 1 2 359.499 2.027 20 30 FEEDLO C[C@@H]1C[NH+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@H](C)S1=O ZINC000331153565 554222803 /nfs/dbraw/zinc/22/28/03/554222803.db2.gz IOLMIHPNDAOLKZ-VXGBXAGGSA-N 1 2 353.875 2.382 20 30 FEEDLO C[C@H](C(=O)NC(C)(C)C)[N@H+](C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000331326241 554247529 /nfs/dbraw/zinc/24/75/29/554247529.db2.gz OQXUKIWSLGRBTO-PBHICJAKSA-N 1 2 356.470 2.289 20 30 FEEDLO C[C@H](C(=O)NC(C)(C)C)[N@@H+](C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000331326241 554247531 /nfs/dbraw/zinc/24/75/31/554247531.db2.gz OQXUKIWSLGRBTO-PBHICJAKSA-N 1 2 356.470 2.289 20 30 FEEDLO C=CCn1c(COCC)nnc1N1CC[NH+]([C@@H](C)c2nccs2)CC1 ZINC000508873620 561776231 /nfs/dbraw/zinc/77/62/31/561776231.db2.gz OARBVQQQPRKNNA-AWEZNQCLSA-N 1 2 362.503 2.340 20 30 FEEDLO N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000509425559 561798959 /nfs/dbraw/zinc/79/89/59/561798959.db2.gz WWNHGWITNWMOIJ-MRXNPFEDSA-N 1 2 357.845 2.405 20 30 FEEDLO CNc1cc2c(nn1)CC[N@@H+]([C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1)C2 ZINC000609269857 554354611 /nfs/dbraw/zinc/35/46/11/554354611.db2.gz YRGZEZCLKVZWDL-CHWWFWEZSA-N 1 2 370.501 2.196 20 30 FEEDLO CNc1cc2c(nn1)CC[N@H+]([C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1)C2 ZINC000609269857 554354615 /nfs/dbraw/zinc/35/46/15/554354615.db2.gz YRGZEZCLKVZWDL-CHWWFWEZSA-N 1 2 370.501 2.196 20 30 FEEDLO CCN1CC[NH+]([C@@H]2CCN(C(=O)C[C@@H](CC#N)c3ccccc3)C2)CC1 ZINC000332328895 554426003 /nfs/dbraw/zinc/42/60/03/554426003.db2.gz UATBYEBDQYBPJI-WOJBJXKFSA-N 1 2 354.498 2.312 20 30 FEEDLO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000332999674 554556517 /nfs/dbraw/zinc/55/65/17/554556517.db2.gz CPMHYONOQIIQEX-UHFFFAOYSA-N 1 2 353.426 2.338 20 30 FEEDLO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000332999674 554556518 /nfs/dbraw/zinc/55/65/18/554556518.db2.gz CPMHYONOQIIQEX-UHFFFAOYSA-N 1 2 353.426 2.338 20 30 FEEDLO N#Cc1ccc(N2CCC[C@@H](NC(=O)[C@H]3CCn4cc[nH+]c4C3)C2)c(F)c1 ZINC000333311790 554601473 /nfs/dbraw/zinc/60/14/73/554601473.db2.gz OCHJTNKFKQFSFB-JKSUJKDBSA-N 1 2 367.428 2.241 20 30 FEEDLO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000510847429 561848392 /nfs/dbraw/zinc/84/83/92/561848392.db2.gz YXLAZGIDPJWRCM-KRWDZBQOSA-N 1 2 358.486 2.447 20 30 FEEDLO CN(CCO)c1ccc(NCc2cn(C)nc2-c2ccc(C#N)cc2)[nH+]c1 ZINC000611491353 554637832 /nfs/dbraw/zinc/63/78/32/554637832.db2.gz SFLREWSAJOIGQL-UHFFFAOYSA-N 1 2 362.437 2.394 20 30 FEEDLO C=CCOC[C@@H]1NC(=O)N([C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)C1=O ZINC000348581954 554689333 /nfs/dbraw/zinc/68/93/33/554689333.db2.gz QQOFKIWWEGEKQE-ROUUACIJSA-N 1 2 368.437 2.364 20 30 FEEDLO Cc1nc([C@@H]2CCC[N@@H+]([C@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)no1 ZINC000360254741 554868941 /nfs/dbraw/zinc/86/89/41/554868941.db2.gz RBUDWOUWWAWOLD-WBVHZDCISA-N 1 2 351.410 2.235 20 30 FEEDLO Cc1nc([C@@H]2CCC[N@H+]([C@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)no1 ZINC000360254741 554868942 /nfs/dbraw/zinc/86/89/42/554868942.db2.gz RBUDWOUWWAWOLD-WBVHZDCISA-N 1 2 351.410 2.235 20 30 FEEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)[C@H]1CCN(C)C1=O ZINC000511587422 561873668 /nfs/dbraw/zinc/87/36/68/561873668.db2.gz WERFMNRAFAMQOA-HIFRSBDPSA-N 1 2 360.483 2.039 20 30 FEEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)[C@H]1CCN(C)C1=O ZINC000511587422 561873669 /nfs/dbraw/zinc/87/36/69/561873669.db2.gz WERFMNRAFAMQOA-HIFRSBDPSA-N 1 2 360.483 2.039 20 30 FEEDLO COc1ccc(O)c(C[N@@H+]2CCN(Cc3ccc(C#N)cc3)C(=O)C2)c1 ZINC000362047341 554946378 /nfs/dbraw/zinc/94/63/78/554946378.db2.gz RBBJJXVSIWYHPC-UHFFFAOYSA-N 1 2 351.406 2.117 20 30 FEEDLO COc1ccc(O)c(C[N@H+]2CCN(Cc3ccc(C#N)cc3)C(=O)C2)c1 ZINC000362047341 554946379 /nfs/dbraw/zinc/94/63/79/554946379.db2.gz RBBJJXVSIWYHPC-UHFFFAOYSA-N 1 2 351.406 2.117 20 30 FEEDLO COc1cc(C#N)ccc1OCC(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000362176347 554954010 /nfs/dbraw/zinc/95/40/10/554954010.db2.gz FUPVFOQXUZEUSV-HNNXBMFYSA-N 1 2 354.410 2.144 20 30 FEEDLO CCC(=O)N1CCC[N@H+](CC(=O)N(CCC#N)c2ccc(C)c(C)c2)CC1 ZINC000362391671 554968803 /nfs/dbraw/zinc/96/88/03/554968803.db2.gz ICRBMVVJSTXBDW-UHFFFAOYSA-N 1 2 370.497 2.494 20 30 FEEDLO CCC(=O)N1CCC[N@@H+](CC(=O)N(CCC#N)c2ccc(C)c(C)c2)CC1 ZINC000362391671 554968809 /nfs/dbraw/zinc/96/88/09/554968809.db2.gz ICRBMVVJSTXBDW-UHFFFAOYSA-N 1 2 370.497 2.494 20 30 FEEDLO Cc1nc(N2CCN(C(=O)[C@@]3(C#N)CCc4ccccc4C3)CC2)cc[nH+]1 ZINC000363972411 555224756 /nfs/dbraw/zinc/22/47/56/555224756.db2.gz IGPOYEUDGUFKPJ-NRFANRHFSA-N 1 2 361.449 2.133 20 30 FEEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000512204460 561895898 /nfs/dbraw/zinc/89/58/98/561895898.db2.gz UBZFSEGZVPCWFD-UHFFFAOYSA-N 1 2 359.382 2.357 20 30 FEEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000512204460 561895899 /nfs/dbraw/zinc/89/58/99/561895899.db2.gz UBZFSEGZVPCWFD-UHFFFAOYSA-N 1 2 359.382 2.357 20 30 FEEDLO Cn1cc(C#N)c(=NC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)[nH]1 ZINC000615979568 555261148 /nfs/dbraw/zinc/26/11/48/555261148.db2.gz GOXDBRRMINUWAM-CABCVRRESA-N 1 2 360.368 2.137 20 30 FEEDLO Cn1cc(C#N)c(=NC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)[nH]1 ZINC000615979568 555261149 /nfs/dbraw/zinc/26/11/49/555261149.db2.gz GOXDBRRMINUWAM-CABCVRRESA-N 1 2 360.368 2.137 20 30 FEEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCN(C2CCOCC2)C1=O ZINC000364172108 555262907 /nfs/dbraw/zinc/26/29/07/555262907.db2.gz XDHPXGLUPQFREJ-GOSISDBHSA-N 1 2 359.426 2.363 20 30 FEEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCN(C2CCOCC2)C1=O ZINC000364172108 555262910 /nfs/dbraw/zinc/26/29/10/555262910.db2.gz XDHPXGLUPQFREJ-GOSISDBHSA-N 1 2 359.426 2.363 20 30 FEEDLO CC(C)NS(=O)(=O)[C@@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2Cl)C1 ZINC000364333220 555293313 /nfs/dbraw/zinc/29/33/13/555293313.db2.gz SOEDZSMHZWENIC-GFCCVEGCSA-N 1 2 359.854 2.253 20 30 FEEDLO CC(C)NS(=O)(=O)[C@@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2Cl)C1 ZINC000364333220 555293315 /nfs/dbraw/zinc/29/33/15/555293315.db2.gz SOEDZSMHZWENIC-GFCCVEGCSA-N 1 2 359.854 2.253 20 30 FEEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCCN(C(=O)c2ccco2)CC1 ZINC000364547896 555334410 /nfs/dbraw/zinc/33/44/10/555334410.db2.gz DNFKSIBYFRXXPK-HNNXBMFYSA-N 1 2 366.421 2.326 20 30 FEEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCCN(C(=O)c2ccco2)CC1 ZINC000364547896 555334412 /nfs/dbraw/zinc/33/44/12/555334412.db2.gz DNFKSIBYFRXXPK-HNNXBMFYSA-N 1 2 366.421 2.326 20 30 FEEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCCN(C(=O)C(C)(C)C)CC1 ZINC000364595778 555348046 /nfs/dbraw/zinc/34/80/46/555348046.db2.gz QDCYIFVLPKEQCZ-HNNXBMFYSA-N 1 2 356.470 2.466 20 30 FEEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCCN(C(=O)C(C)(C)C)CC1 ZINC000364595778 555348048 /nfs/dbraw/zinc/34/80/48/555348048.db2.gz QDCYIFVLPKEQCZ-HNNXBMFYSA-N 1 2 356.470 2.466 20 30 FEEDLO N#Cc1ccc(C(=O)N2CC[C@@H](Oc3ccc[nH+]c3N3CCCC3)C2)cn1 ZINC000364657095 555364812 /nfs/dbraw/zinc/36/48/12/555364812.db2.gz IEJPEFFFWQZFAT-QGZVFWFLSA-N 1 2 363.421 2.242 20 30 FEEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000365487741 555589176 /nfs/dbraw/zinc/58/91/76/555589176.db2.gz SPVHDDRNZVMRNG-OALUTQOASA-N 1 2 368.481 2.333 20 30 FEEDLO C=CCc1ccc(OCC(=O)N2CC[C@@H]([NH+]3CCOCC3)[C@H]2C)c(OC)c1 ZINC000365694354 555642692 /nfs/dbraw/zinc/64/26/92/555642692.db2.gz AVCQEDPGVIPONL-SJLPKXTDSA-N 1 2 374.481 2.124 20 30 FEEDLO N#Cc1ncn(-c2ccccc2NC(=O)C2CC[NH+](CC(F)F)CC2)n1 ZINC000366563588 555876844 /nfs/dbraw/zinc/87/68/44/555876844.db2.gz YNWVWHAVNHRKBO-UHFFFAOYSA-N 1 2 360.368 2.055 20 30 FEEDLO CCN(CCC#N)C(=O)C[N@@H+]1CC[C@@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC000367013499 555997146 /nfs/dbraw/zinc/99/71/46/555997146.db2.gz AFNWHFGDCKQDFQ-LJQANCHMSA-N 1 2 364.490 2.224 20 30 FEEDLO CCN(CCC#N)C(=O)C[N@H+]1CC[C@@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC000367013499 555997151 /nfs/dbraw/zinc/99/71/51/555997151.db2.gz AFNWHFGDCKQDFQ-LJQANCHMSA-N 1 2 364.490 2.224 20 30 FEEDLO Cc1cc(NC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)c(C)c[nH+]1 ZINC000367303842 556012829 /nfs/dbraw/zinc/01/28/29/556012829.db2.gz YPHZFXOZMIAVSF-UHFFFAOYSA-N 1 2 350.426 2.178 20 30 FEEDLO C=CCN(CCc1ccccc1)C(=O)C(=O)NCc1ccc[nH+]c1N(C)C ZINC000514742946 561977282 /nfs/dbraw/zinc/97/72/82/561977282.db2.gz QFCQZKIAFAIHNN-UHFFFAOYSA-N 1 2 366.465 2.021 20 30 FEEDLO N#Cc1ccc(N2CC[C@H]([NH+]3CCN(c4ccc(F)cn4)CC3)C2=O)cc1 ZINC000367658609 556107090 /nfs/dbraw/zinc/10/70/90/556107090.db2.gz KCTWLDHWSXRLLT-SFHVURJKSA-N 1 2 365.412 2.020 20 30 FEEDLO Cc1ccccc1CCCn1cc(C[NH+]2CCOCC2)cc(C#N)c1=O ZINC000515564612 562015546 /nfs/dbraw/zinc/01/55/46/562015546.db2.gz GTLKMPBERDOBKR-UHFFFAOYSA-N 1 2 351.450 2.493 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)c1 ZINC000368975650 556464437 /nfs/dbraw/zinc/46/44/37/556464437.db2.gz RUSKITJZQSSUQS-XKGZKEIXSA-N 1 2 368.481 2.136 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)c1 ZINC000368975650 556464440 /nfs/dbraw/zinc/46/44/40/556464440.db2.gz RUSKITJZQSSUQS-XKGZKEIXSA-N 1 2 368.481 2.136 20 30 FEEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000368975490 556464921 /nfs/dbraw/zinc/46/49/21/556464921.db2.gz RKJBMDTUVSDACE-TYRIBLQHSA-N 1 2 360.845 2.124 20 30 FEEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000368975490 556464926 /nfs/dbraw/zinc/46/49/26/556464926.db2.gz RKJBMDTUVSDACE-TYRIBLQHSA-N 1 2 360.845 2.124 20 30 FEEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000368975489 556465087 /nfs/dbraw/zinc/46/50/87/556465087.db2.gz RKJBMDTUVSDACE-IFXMJZAHSA-N 1 2 360.845 2.124 20 30 FEEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000368975489 556465088 /nfs/dbraw/zinc/46/50/88/556465088.db2.gz RKJBMDTUVSDACE-IFXMJZAHSA-N 1 2 360.845 2.124 20 30 FEEDLO Cn1cc(CN(CCn2cc[nH+]c2)C(=O)CCc2ccc(C#N)cc2)cn1 ZINC000515710528 562020080 /nfs/dbraw/zinc/02/00/80/562020080.db2.gz PYWIZTSVYLUZLC-UHFFFAOYSA-N 1 2 362.437 2.150 20 30 FEEDLO Cc1ccc2[nH+]c(CSCC(=O)N3CCN(C4CC4)[C@H](C#N)C3)cn2c1 ZINC000369218137 556538757 /nfs/dbraw/zinc/53/87/57/556538757.db2.gz GBNQQZKPKFKZMJ-QGZVFWFLSA-N 1 2 369.494 2.075 20 30 FEEDLO COc1cc(C#N)ccc1C[N@@H+]1CCn2c(CC(F)(F)F)nnc2C1 ZINC000369690129 556669530 /nfs/dbraw/zinc/66/95/30/556669530.db2.gz ATROSXGHQTWKTI-UHFFFAOYSA-N 1 2 351.332 2.279 20 30 FEEDLO COc1cc(C#N)ccc1C[N@H+]1CCn2c(CC(F)(F)F)nnc2C1 ZINC000369690129 556669532 /nfs/dbraw/zinc/66/95/32/556669532.db2.gz ATROSXGHQTWKTI-UHFFFAOYSA-N 1 2 351.332 2.279 20 30 FEEDLO C[C@H](C(=O)Nc1ccccc1C#N)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000369808856 556701314 /nfs/dbraw/zinc/70/13/14/556701314.db2.gz NWDGJOZHCJFTSF-SJLPKXTDSA-N 1 2 356.470 2.072 20 30 FEEDLO CCc1nc(C[N@H+]2C[C@H]3CN(c4ccc(Cl)c(C#N)n4)C[C@H]3C2)no1 ZINC000370090543 556777926 /nfs/dbraw/zinc/77/79/26/556777926.db2.gz RNWPSOPKNMFDJY-TXEJJXNPSA-N 1 2 358.833 2.120 20 30 FEEDLO CCc1nc(C[N@@H+]2C[C@H]3CN(c4ccc(Cl)c(C#N)n4)C[C@H]3C2)no1 ZINC000370090543 556777927 /nfs/dbraw/zinc/77/79/27/556777927.db2.gz RNWPSOPKNMFDJY-TXEJJXNPSA-N 1 2 358.833 2.120 20 30 FEEDLO C[C@H]([C@H](C)S(C)(=O)=O)[N@H+](C)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000370365526 556851682 /nfs/dbraw/zinc/85/16/82/556851682.db2.gz GGPOJKYCUBBFHD-KGLIPLIRSA-N 1 2 360.483 2.212 20 30 FEEDLO C[C@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000370365526 556851685 /nfs/dbraw/zinc/85/16/85/556851685.db2.gz GGPOJKYCUBBFHD-KGLIPLIRSA-N 1 2 360.483 2.212 20 30 FEEDLO C[C@@H](NC(=O)[C@H]1C[N@H+](C)CCO1)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000370555530 556907588 /nfs/dbraw/zinc/90/75/88/556907588.db2.gz HHCHZNWKAHXQLG-MLGOLLRUSA-N 1 2 356.451 2.190 20 30 FEEDLO C[C@@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000370555530 556907589 /nfs/dbraw/zinc/90/75/89/556907589.db2.gz HHCHZNWKAHXQLG-MLGOLLRUSA-N 1 2 356.451 2.190 20 30 FEEDLO Cc1cccc2ncc(C[N@@H+]3C[C@@H](C#N)[C@]4(C3)c3ccccc3NC4=O)n21 ZINC000371456162 557190139 /nfs/dbraw/zinc/19/01/39/557190139.db2.gz FUOVREYPPNTYBP-QVKFZJNVSA-N 1 2 357.417 2.488 20 30 FEEDLO Cc1cccc2ncc(C[N@H+]3C[C@@H](C#N)[C@]4(C3)c3ccccc3NC4=O)n21 ZINC000371456162 557190141 /nfs/dbraw/zinc/19/01/41/557190141.db2.gz FUOVREYPPNTYBP-QVKFZJNVSA-N 1 2 357.417 2.488 20 30 FEEDLO CCOC(=O)c1ccc(C[N@@H+]2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)o1 ZINC000371470508 557190766 /nfs/dbraw/zinc/19/07/66/557190766.db2.gz LYBZEGOAPFPZSD-RNODOKPDSA-N 1 2 365.389 2.302 20 30 FEEDLO CCOC(=O)c1ccc(C[N@H+]2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)o1 ZINC000371470508 557190768 /nfs/dbraw/zinc/19/07/68/557190768.db2.gz LYBZEGOAPFPZSD-RNODOKPDSA-N 1 2 365.389 2.302 20 30 FEEDLO Cc1ccc2[nH+]cc(CN3C[C@@H](C#N)[C@@]4(C3)c3ccccc3NC4=O)n2c1 ZINC000371471476 557191600 /nfs/dbraw/zinc/19/16/00/557191600.db2.gz USVUXWYPQBGOTD-VFNWGFHPSA-N 1 2 357.417 2.488 20 30 FEEDLO C=CC[C@H](CO)NC(=O)N[C@@H]1CC[N@H+](C2CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000371807661 557298819 /nfs/dbraw/zinc/29/88/19/557298819.db2.gz CHMGGXGCWWOFKZ-FSPWUOQZSA-N 1 2 365.424 2.479 20 30 FEEDLO C=CC[C@H](CO)NC(=O)N[C@@H]1CC[N@@H+](C2CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000371807661 557298821 /nfs/dbraw/zinc/29/88/21/557298821.db2.gz CHMGGXGCWWOFKZ-FSPWUOQZSA-N 1 2 365.424 2.479 20 30 FEEDLO CC(C)COc1ccc(CC(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1 ZINC000518571470 562114561 /nfs/dbraw/zinc/11/45/61/562114561.db2.gz UEROPGKPVUTNBG-UHFFFAOYSA-N 1 2 373.497 2.338 20 30 FEEDLO N#CCCCOc1cccc(C[NH+]2CCN([C@H]3CCCCNC3=O)CC2)c1 ZINC000372397556 557460153 /nfs/dbraw/zinc/46/01/53/557460153.db2.gz FHHAEAYWLWUUST-FQEVSTJZSA-N 1 2 370.497 2.155 20 30 FEEDLO Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)C[NH+]1CCN(C(=O)CC#N)CC1 ZINC000519420795 562131510 /nfs/dbraw/zinc/13/15/10/562131510.db2.gz QDUQAWLUQJPXLZ-SFHVURJKSA-N 1 2 373.497 2.090 20 30 FEEDLO N#Cc1cccc(-n2ccc(C(=O)N3CCCN(c4cccc[nH+]4)CC3)n2)c1 ZINC000373042685 557615490 /nfs/dbraw/zinc/61/54/90/557615490.db2.gz MZMIQBWEPWQEOY-UHFFFAOYSA-N 1 2 372.432 2.491 20 30 FEEDLO N#Cc1ccc(N2CCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)CC2)c(Cl)c1 ZINC000373118704 557632133 /nfs/dbraw/zinc/63/21/33/557632133.db2.gz UYYKVMBAVRFGLC-HNNXBMFYSA-N 1 2 369.856 2.319 20 30 FEEDLO C[N@H+](CC(=O)NCc1cccc(C#N)c1)Cc1cnn(-c2ccccc2)c1 ZINC000520173128 562149800 /nfs/dbraw/zinc/14/98/00/562149800.db2.gz NBIHGPPTPFHANN-UHFFFAOYSA-N 1 2 359.433 2.492 20 30 FEEDLO C[N@@H+](CC(=O)NCc1cccc(C#N)c1)Cc1cnn(-c2ccccc2)c1 ZINC000520173128 562149801 /nfs/dbraw/zinc/14/98/01/562149801.db2.gz NBIHGPPTPFHANN-UHFFFAOYSA-N 1 2 359.433 2.492 20 30 FEEDLO N#Cc1ccc(C[N@@H+]2CCCNC(=O)[C@@H]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000520235298 562151585 /nfs/dbraw/zinc/15/15/85/562151585.db2.gz WWJGLUCZSNXKBI-IBGZPJMESA-N 1 2 364.405 2.400 20 30 FEEDLO N#Cc1ccc(C[N@H+]2CCCNC(=O)[C@@H]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000520235298 562151586 /nfs/dbraw/zinc/15/15/86/562151586.db2.gz WWJGLUCZSNXKBI-IBGZPJMESA-N 1 2 364.405 2.400 20 30 FEEDLO CCOC(=O)C1(COC)CC[NH+]([C@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000373809026 557763733 /nfs/dbraw/zinc/76/37/33/557763733.db2.gz HLIOJJZKHSHJON-OAHLLOKOSA-N 1 2 373.453 2.177 20 30 FEEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NC1CC[NH+](Cc2cscn2)CC1 ZINC000373890254 557781110 /nfs/dbraw/zinc/78/11/10/557781110.db2.gz LPKIPETVRSUNTM-RHSMWYFYSA-N 1 2 364.515 2.388 20 30 FEEDLO Cc1ccccc1CNC(=O)[C@@H](C)[NH+]1CCN(c2ccc(C#N)nc2)CC1 ZINC000374620392 557907709 /nfs/dbraw/zinc/90/77/09/557907709.db2.gz MLUXXRRHJQLUQW-QGZVFWFLSA-N 1 2 363.465 2.089 20 30 FEEDLO C#Cc1cc(F)c(NC(=O)C(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)c(F)c1 ZINC000374923586 557951997 /nfs/dbraw/zinc/95/19/97/557951997.db2.gz FIZWGEVFIYGUQB-ZDUSSCGKSA-N 1 2 372.375 2.024 20 30 FEEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375402955 558021536 /nfs/dbraw/zinc/02/15/36/558021536.db2.gz KTGMHCNVROCGFU-ZFWWWQNUSA-N 1 2 368.397 2.327 20 30 FEEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375402955 558021538 /nfs/dbraw/zinc/02/15/38/558021538.db2.gz KTGMHCNVROCGFU-ZFWWWQNUSA-N 1 2 368.397 2.327 20 30 FEEDLO CC[C@H]1C[N@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@]2(CCOC2)O1 ZINC000376009329 558113358 /nfs/dbraw/zinc/11/33/58/558113358.db2.gz WTQKATGOWKGFFP-MAUKXSAKSA-N 1 2 363.845 2.420 20 30 FEEDLO CC[C@H]1C[N@@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@]2(CCOC2)O1 ZINC000376009329 558113360 /nfs/dbraw/zinc/11/33/60/558113360.db2.gz WTQKATGOWKGFFP-MAUKXSAKSA-N 1 2 363.845 2.420 20 30 FEEDLO C=CCCO[C@@H](C)C(=O)N1CCC[C@@H]([N@H+](C)Cc2noc(C)n2)CC1 ZINC000376244573 558146847 /nfs/dbraw/zinc/14/68/47/558146847.db2.gz LFNGWHPKPSNLLM-GOEBONIOSA-N 1 2 350.463 2.172 20 30 FEEDLO C=CCCO[C@@H](C)C(=O)N1CCC[C@@H]([N@@H+](C)Cc2noc(C)n2)CC1 ZINC000376244573 558146848 /nfs/dbraw/zinc/14/68/48/558146848.db2.gz LFNGWHPKPSNLLM-GOEBONIOSA-N 1 2 350.463 2.172 20 30 FEEDLO Cc1nc(C[N@@H+](C)[C@H]2CCCN(C(=O)c3ccc(C#N)cc3)CC2)no1 ZINC000376650285 558202949 /nfs/dbraw/zinc/20/29/49/558202949.db2.gz FJLMXAYNSKUTCL-KRWDZBQOSA-N 1 2 353.426 2.376 20 30 FEEDLO Cc1nc(C[N@H+](C)[C@H]2CCCN(C(=O)c3ccc(C#N)cc3)CC2)no1 ZINC000376650285 558202950 /nfs/dbraw/zinc/20/29/50/558202950.db2.gz FJLMXAYNSKUTCL-KRWDZBQOSA-N 1 2 353.426 2.376 20 30 FEEDLO N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000521844888 562184741 /nfs/dbraw/zinc/18/47/41/562184741.db2.gz WYDVMAALPDKRDM-GOSISDBHSA-N 1 2 364.453 2.186 20 30 FEEDLO C[N@@H+]1CCO[C@H]2CCN(C(=O)c3cn(CCCC#N)c4ccccc34)C[C@H]21 ZINC000521918776 562186430 /nfs/dbraw/zinc/18/64/30/562186430.db2.gz NXJSDAWLYLPJDY-UXHICEINSA-N 1 2 366.465 2.490 20 30 FEEDLO C[N@H+]1CCO[C@H]2CCN(C(=O)c3cn(CCCC#N)c4ccccc34)C[C@H]21 ZINC000521918776 562186431 /nfs/dbraw/zinc/18/64/31/562186431.db2.gz NXJSDAWLYLPJDY-UXHICEINSA-N 1 2 366.465 2.490 20 30 FEEDLO Cc1ccc(N2CCC(C(=O)N=c3[nH][nH]c(C4CC4)c3C#N)CC2)[nH+]c1 ZINC000377092169 558264198 /nfs/dbraw/zinc/26/41/98/558264198.db2.gz XKJJUSXHHIHXFC-UHFFFAOYSA-N 1 2 350.426 2.717 20 30 FEEDLO C[C@H](NC(=O)C[N@@H+]1CCCN(c2ncccc2C#N)CC1)c1cccs1 ZINC000377453416 558343534 /nfs/dbraw/zinc/34/35/34/558343534.db2.gz HEARSLTVUPNKII-HNNXBMFYSA-N 1 2 369.494 2.404 20 30 FEEDLO C[C@H](NC(=O)C[N@H+]1CCCN(c2ncccc2C#N)CC1)c1cccs1 ZINC000377453416 558343536 /nfs/dbraw/zinc/34/35/36/558343536.db2.gz HEARSLTVUPNKII-HNNXBMFYSA-N 1 2 369.494 2.404 20 30 FEEDLO N#Cc1cccc(OC2CCN(C(=O)N[C@H]3CCc4[nH+]c[nH]c4C3)CC2)c1 ZINC000378101266 558481421 /nfs/dbraw/zinc/48/14/21/558481421.db2.gz PZAZFMBXSVNCJB-HNNXBMFYSA-N 1 2 365.437 2.392 20 30 FEEDLO N#Cc1cccc(OC2CCN(C(=O)N[C@H]3CCc4[nH]c[nH+]c4C3)CC2)c1 ZINC000378101266 558481422 /nfs/dbraw/zinc/48/14/22/558481422.db2.gz PZAZFMBXSVNCJB-HNNXBMFYSA-N 1 2 365.437 2.392 20 30 FEEDLO CC(C)(C#N)c1ccc(NC(=O)C(=O)NC[C@@H]2CCCn3cc[nH+]c32)cc1 ZINC000378228548 558506441 /nfs/dbraw/zinc/50/64/41/558506441.db2.gz NOFSAHSBKRVIMQ-AWEZNQCLSA-N 1 2 365.437 2.317 20 30 FEEDLO N#Cc1cccc(OCC[N@@H+]2C[C@H](C#N)[C@]3(C2)C(=O)Nc2ccccc23)c1 ZINC000378285465 558519747 /nfs/dbraw/zinc/51/97/47/558519747.db2.gz IFACOMDKENGDOL-KKSFZXQISA-N 1 2 358.401 2.283 20 30 FEEDLO N#Cc1cccc(OCC[N@H+]2C[C@H](C#N)[C@]3(C2)C(=O)Nc2ccccc23)c1 ZINC000378285465 558519750 /nfs/dbraw/zinc/51/97/50/558519750.db2.gz IFACOMDKENGDOL-KKSFZXQISA-N 1 2 358.401 2.283 20 30 FEEDLO Cc1c(Cl)cnc(NC[C@]2([NH+]3CCOCC3)CCCOC2)c1C#N ZINC000378654001 558601212 /nfs/dbraw/zinc/60/12/12/558601212.db2.gz UVWGRTFOABTBIF-QGZVFWFLSA-N 1 2 350.850 2.208 20 30 FEEDLO CC(=O)N1CC[N@@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC12CCCCC2 ZINC000408044973 558640799 /nfs/dbraw/zinc/64/07/99/558640799.db2.gz DAMVXJFAZHBEPW-VQIMIIECSA-N 1 2 362.518 2.296 20 30 FEEDLO CC(=O)N1CC[N@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC12CCCCC2 ZINC000408044973 558640802 /nfs/dbraw/zinc/64/08/02/558640802.db2.gz DAMVXJFAZHBEPW-VQIMIIECSA-N 1 2 362.518 2.296 20 30 FEEDLO N#CC1(NC(=O)C[NH+]2CCC(C(=O)c3cc(F)ccc3F)CC2)CCC1 ZINC000525886381 562258623 /nfs/dbraw/zinc/25/86/23/562258623.db2.gz IYXMWVNASBJUDQ-UHFFFAOYSA-N 1 2 361.392 2.422 20 30 FEEDLO Cc1cc(NC[C@]2([NH+]3CCOCC3)CCSC2)c(C#N)cc1[N+](=O)[O-] ZINC000413063715 559074196 /nfs/dbraw/zinc/07/41/96/559074196.db2.gz BGHPASMKJDPIMO-QGZVFWFLSA-N 1 2 362.455 2.395 20 30 FEEDLO N#CC1(NC(=O)C[N@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)CCC1 ZINC000526135344 562268008 /nfs/dbraw/zinc/26/80/08/562268008.db2.gz HJYOUKAINNDGHY-UHFFFAOYSA-N 1 2 374.872 2.050 20 30 FEEDLO N#CC1(NC(=O)C[N@@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)CCC1 ZINC000526135344 562268009 /nfs/dbraw/zinc/26/80/09/562268009.db2.gz HJYOUKAINNDGHY-UHFFFAOYSA-N 1 2 374.872 2.050 20 30 FEEDLO C=CC[C@H](Cc1ccccc1)NC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000413823625 559132707 /nfs/dbraw/zinc/13/27/07/559132707.db2.gz MVOCLHPLRSADMB-GOSISDBHSA-N 1 2 353.470 2.424 20 30 FEEDLO C[N@H+](CCC#N)C[C@H](O)Cn1cnc2scc(-c3ccccc3)c2c1=O ZINC000414106193 559149510 /nfs/dbraw/zinc/14/95/10/559149510.db2.gz HYPGVZKMSNZLHV-HNNXBMFYSA-N 1 2 368.462 2.331 20 30 FEEDLO C[N@@H+](CCC#N)C[C@H](O)Cn1cnc2scc(-c3ccccc3)c2c1=O ZINC000414106193 559149511 /nfs/dbraw/zinc/14/95/11/559149511.db2.gz HYPGVZKMSNZLHV-HNNXBMFYSA-N 1 2 368.462 2.331 20 30 FEEDLO CC(=O)c1cc(Br)ccc1OC[C@H](O)C[N@@H+](C)CCC#N ZINC000414163694 559151317 /nfs/dbraw/zinc/15/13/17/559151317.db2.gz NNIXIJZQHOEJLT-CYBMUJFWSA-N 1 2 355.232 2.237 20 30 FEEDLO CC(=O)c1cc(Br)ccc1OC[C@H](O)C[N@H+](C)CCC#N ZINC000414163694 559151316 /nfs/dbraw/zinc/15/13/16/559151316.db2.gz NNIXIJZQHOEJLT-CYBMUJFWSA-N 1 2 355.232 2.237 20 30 FEEDLO C[C@@H](C(=O)NC1(C#N)CCC1)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000527048809 562274563 /nfs/dbraw/zinc/27/45/63/562274563.db2.gz USTZKWKODOJWLV-ZETNRXDVSA-N 1 2 352.482 2.268 20 30 FEEDLO CC(C)(C)[N@H+](CC(=O)Nc1ccc(F)cc1)CC(=O)NC1(C#N)CCC1 ZINC000527127647 562277393 /nfs/dbraw/zinc/27/73/93/562277393.db2.gz COPYHZCFHFCKIA-UHFFFAOYSA-N 1 2 360.433 2.427 20 30 FEEDLO CC(C)(C)[N@@H+](CC(=O)Nc1ccc(F)cc1)CC(=O)NC1(C#N)CCC1 ZINC000527127647 562277394 /nfs/dbraw/zinc/27/73/94/562277394.db2.gz COPYHZCFHFCKIA-UHFFFAOYSA-N 1 2 360.433 2.427 20 30 FEEDLO CC(C)(C)OC(=O)C[NH2+][C@@]1(C)CCN(c2nc3c(cc2C#N)CCC3)C1 ZINC000418935334 559422560 /nfs/dbraw/zinc/42/25/60/559422560.db2.gz ANRUHAZEBIMPGP-FQEVSTJZSA-N 1 2 356.470 2.342 20 30 FEEDLO C=CCC[C@@H]1NC(=O)N(Cc2ccccc2C[NH+]2CCN(CC)CC2)C1=O ZINC000419921759 559464666 /nfs/dbraw/zinc/46/46/66/559464666.db2.gz IPSKAFCNJMHTCD-IBGZPJMESA-N 1 2 370.497 2.211 20 30 FEEDLO CCOC(=O)c1c(NC(=O)NCc2[nH+]ccn2CC)c(C#N)cn1CC ZINC000421185040 559529693 /nfs/dbraw/zinc/52/96/93/559529693.db2.gz QNPWKZPSVCZVAV-UHFFFAOYSA-N 1 2 358.402 2.094 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1 ZINC000424928873 559680227 /nfs/dbraw/zinc/68/02/27/559680227.db2.gz AMZTWYHNGWLNQN-ROUUACIJSA-N 1 2 352.438 2.718 20 30 FEEDLO Cc1cc(NCC2CCN(S(=O)(=O)c3ccccc3)CC2)c(C#N)c[nH+]1 ZINC000425217063 559691863 /nfs/dbraw/zinc/69/18/63/559691863.db2.gz AAGJWYXKJFIEEM-UHFFFAOYSA-N 1 2 370.478 2.196 20 30 FEEDLO COc1cccc(C(=O)N2CCN(c3cc(C)[nH+]cc3C#N)CC2)c1OC ZINC000425226360 559692255 /nfs/dbraw/zinc/69/22/55/559692255.db2.gz QBIYREKUUUSEDN-UHFFFAOYSA-N 1 2 366.421 2.241 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000425796618 559719994 /nfs/dbraw/zinc/71/99/94/559719994.db2.gz RHNHCAXKBYMWGZ-GUYCJALGSA-N 1 2 368.437 2.097 20 30 FEEDLO C=CCCSc1nnc([C@H](CC)[NH+](C)C)n1CCN1CCOCC1 ZINC000427106675 559748011 /nfs/dbraw/zinc/74/80/11/559748011.db2.gz FYSQNXHOYMHGPT-HNNXBMFYSA-N 1 2 353.536 2.291 20 30 FEEDLO N#Cc1c(F)cccc1CN1CC[NH+](CC(=O)NCc2ccccc2)CC1 ZINC000428458527 559776057 /nfs/dbraw/zinc/77/60/57/559776057.db2.gz CDISUAUNQHYYCH-UHFFFAOYSA-N 1 2 366.440 2.131 20 30 FEEDLO CCc1ccc(CNC(=O)C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)s1 ZINC000428787002 559783236 /nfs/dbraw/zinc/78/32/36/559783236.db2.gz TVINXANRIKORQJ-OAHLLOKOSA-N 1 2 370.478 2.347 20 30 FEEDLO CCc1ccc(CNC(=O)C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)s1 ZINC000428787002 559783237 /nfs/dbraw/zinc/78/32/37/559783237.db2.gz TVINXANRIKORQJ-OAHLLOKOSA-N 1 2 370.478 2.347 20 30 FEEDLO CC1(C)C[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)C[C@H](C(F)(F)F)O1 ZINC000428932847 559786226 /nfs/dbraw/zinc/78/62/26/559786226.db2.gz KFJKNOURUNNAMA-UKRRQHHQSA-N 1 2 358.360 2.340 20 30 FEEDLO CC1(C)C[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)C[C@H](C(F)(F)F)O1 ZINC000428932847 559786227 /nfs/dbraw/zinc/78/62/27/559786227.db2.gz KFJKNOURUNNAMA-UKRRQHHQSA-N 1 2 358.360 2.340 20 30 FEEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCN(c2ccc(Cl)c(F)c2)C[C@H]1C ZINC000428996168 559787744 /nfs/dbraw/zinc/78/77/44/559787744.db2.gz IAXMQCSBKOSIDS-GFCCVEGCSA-N 1 2 368.840 2.001 20 30 FEEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCN(c2ccc(Cl)c(F)c2)C[C@H]1C ZINC000428996168 559787745 /nfs/dbraw/zinc/78/77/45/559787745.db2.gz IAXMQCSBKOSIDS-GFCCVEGCSA-N 1 2 368.840 2.001 20 30 FEEDLO COC(=O)C[C@@](C)([NH2+]CC(=O)N(C)C1(C#N)CCCCC1)c1ccccn1 ZINC000429682935 559803899 /nfs/dbraw/zinc/80/38/99/559803899.db2.gz JZLHNSVAKXABAL-LJQANCHMSA-N 1 2 372.469 2.134 20 30 FEEDLO C[C@@H](CN1CCOCC1)[N@H+](C)Cc1cc(C#N)ccc1Br ZINC000434705263 559906991 /nfs/dbraw/zinc/90/69/91/559906991.db2.gz IACVECLKVYSYOB-ZDUSSCGKSA-N 1 2 352.276 2.473 20 30 FEEDLO C[C@@H](CN1CCOCC1)[N@@H+](C)Cc1cc(C#N)ccc1Br ZINC000434705263 559906992 /nfs/dbraw/zinc/90/69/92/559906992.db2.gz IACVECLKVYSYOB-ZDUSSCGKSA-N 1 2 352.276 2.473 20 30 FEEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000438017614 559973149 /nfs/dbraw/zinc/97/31/49/559973149.db2.gz XPSMDSCVYUNMDV-QFBILLFUSA-N 1 2 354.454 2.927 20 30 FEEDLO CC(C)(C)OC(=O)C[NH2+][C@@]1(C)CCN(C(=O)CCc2ccc(C#N)cc2)C1 ZINC000442814311 560058087 /nfs/dbraw/zinc/05/80/87/560058087.db2.gz HNKVQLHQYQYULL-NRFANRHFSA-N 1 2 371.481 2.413 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCc3ncccc3F)CC2)cc1 ZINC000527521782 562291199 /nfs/dbraw/zinc/29/11/99/562291199.db2.gz PACAADHADKDWNO-UHFFFAOYSA-N 1 2 353.401 2.120 20 30 FEEDLO C=CC[C@@H](CO)CNC(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000443547534 560086909 /nfs/dbraw/zinc/08/69/09/560086909.db2.gz AYENMZWFPPWTTF-CQSZACIVSA-N 1 2 351.878 2.182 20 30 FEEDLO C=CC[C@@H](CO)CNC(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000443547534 560086910 /nfs/dbraw/zinc/08/69/10/560086910.db2.gz AYENMZWFPPWTTF-CQSZACIVSA-N 1 2 351.878 2.182 20 30 FEEDLO CSc1[nH]c(=O)c(C(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)cc1C#N ZINC000448426197 560186737 /nfs/dbraw/zinc/18/67/37/560186737.db2.gz NQPLHUZOADMQFH-CYBMUJFWSA-N 1 2 362.499 2.479 20 30 FEEDLO CSc1[nH]c(=O)c(C(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)cc1C#N ZINC000448426197 560186738 /nfs/dbraw/zinc/18/67/38/560186738.db2.gz NQPLHUZOADMQFH-CYBMUJFWSA-N 1 2 362.499 2.479 20 30 FEEDLO Cc1[nH]c(C#N)cc1C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000448707613 560195592 /nfs/dbraw/zinc/19/55/92/560195592.db2.gz KOFRGBSNKGNHSO-STQMWFEESA-N 1 2 353.426 2.133 20 30 FEEDLO CC1(C)COCC[N@@H+]1CCNC(=O)c1cccc(C#N)c1Br ZINC000448895834 560205344 /nfs/dbraw/zinc/20/53/44/560205344.db2.gz MDWGGCHEPHMIMD-UHFFFAOYSA-N 1 2 366.259 2.161 20 30 FEEDLO CC1(C)COCC[N@H+]1CCNC(=O)c1cccc(C#N)c1Br ZINC000448895834 560205345 /nfs/dbraw/zinc/20/53/45/560205345.db2.gz MDWGGCHEPHMIMD-UHFFFAOYSA-N 1 2 366.259 2.161 20 30 FEEDLO C=CCC1(CNC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CCCC1 ZINC000454329889 560440211 /nfs/dbraw/zinc/44/02/11/560440211.db2.gz RDEOMNHKWREVCM-UHFFFAOYSA-N 1 2 372.517 2.034 20 30 FEEDLO CC[C@H](C)[C@H](CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)OC ZINC000455216929 560474388 /nfs/dbraw/zinc/47/43/88/560474388.db2.gz NUBAPKJVRGDSQK-LPHOPBHVSA-N 1 2 358.486 2.447 20 30 FEEDLO C=CCC[C@H](CO)NC(=O)Nc1cc(N(C)C)c(Br)c[nH+]1 ZINC000455870366 560498459 /nfs/dbraw/zinc/49/84/59/560498459.db2.gz RYKLCSFEWKCTEH-SNVBAGLBSA-N 1 2 357.252 2.359 20 30 FEEDLO Cc1cc(C#N)cc(NC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)c1 ZINC000455979029 560503065 /nfs/dbraw/zinc/50/30/65/560503065.db2.gz DAKRHGVGKBHSMX-UHFFFAOYSA-N 1 2 354.414 2.039 20 30 FEEDLO CCN1CC[NH+](CC(C)(C)NC(=O)CSCc2ccc(C#N)cc2)CC1 ZINC000456876153 560535054 /nfs/dbraw/zinc/53/50/54/560535054.db2.gz AQUJWAFIMVXXPP-UHFFFAOYSA-N 1 2 374.554 2.324 20 30 FEEDLO C=CCC1(NC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CCCCC1 ZINC000457885481 560592245 /nfs/dbraw/zinc/59/22/45/560592245.db2.gz PAEPOZQCOJZXGC-UHFFFAOYSA-N 1 2 372.517 2.177 20 30 FEEDLO Cc1nn(C)c(C)c1C[NH+]1CCN(Cc2c(C#N)cccc2[N+](=O)[O-])CC1 ZINC000459336838 560680539 /nfs/dbraw/zinc/68/05/39/560680539.db2.gz PVIJFADIEVXYRC-UHFFFAOYSA-N 1 2 368.441 2.135 20 30 FEEDLO C=CCN(CCc1ccccc1)C(=O)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000460052805 560731829 /nfs/dbraw/zinc/73/18/29/560731829.db2.gz CGUDAPFLQPECGJ-UHFFFAOYSA-N 1 2 366.465 2.373 20 30 FEEDLO C=CCN(CCc1ccccc1)C(=O)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000460052805 560731830 /nfs/dbraw/zinc/73/18/30/560731830.db2.gz CGUDAPFLQPECGJ-UHFFFAOYSA-N 1 2 366.465 2.373 20 30 FEEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C)[C@@]1(CO)CCOC1 ZINC000461389531 560769274 /nfs/dbraw/zinc/76/92/74/560769274.db2.gz VFUSNHPEZXJDLU-RDTXWAMCSA-N 1 2 363.483 2.103 20 30 FEEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C)[C@@]1(CO)CCOC1 ZINC000461389531 560769275 /nfs/dbraw/zinc/76/92/75/560769275.db2.gz VFUSNHPEZXJDLU-RDTXWAMCSA-N 1 2 363.483 2.103 20 30 FEEDLO N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)NCc2c[nH+]c[nH]2)CC1 ZINC000461455872 560772253 /nfs/dbraw/zinc/77/22/53/560772253.db2.gz GKYOXGPZONMCDO-UHFFFAOYSA-N 1 2 366.381 2.062 20 30 FEEDLO N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)NCc2c[nH]c[nH+]2)CC1 ZINC000461455872 560772254 /nfs/dbraw/zinc/77/22/54/560772254.db2.gz GKYOXGPZONMCDO-UHFFFAOYSA-N 1 2 366.381 2.062 20 30 FEEDLO Cc1cc[nH+]cc1N1CCN(S(=O)(=O)Cc2ccc(C#N)cc2F)CC1 ZINC000461797150 560784370 /nfs/dbraw/zinc/78/43/70/560784370.db2.gz KDFJRDFQISEQBJ-UHFFFAOYSA-N 1 2 374.441 2.053 20 30 FEEDLO COc1cc(C#N)ccc1S(=O)(=O)NCc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000464204514 560835994 /nfs/dbraw/zinc/83/59/94/560835994.db2.gz KYTKTIZSKTYFHD-UHFFFAOYSA-N 1 2 368.418 2.435 20 30 FEEDLO COC(=O)c1cccc(NC(=O)C[N@H+](Cc2ccc(C#N)cc2)C2CC2)n1 ZINC000469617719 560959755 /nfs/dbraw/zinc/95/97/55/560959755.db2.gz PCAFSACAZYJUNB-UHFFFAOYSA-N 1 2 364.405 2.343 20 30 FEEDLO COC(=O)c1cccc(NC(=O)C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)n1 ZINC000469617719 560959756 /nfs/dbraw/zinc/95/97/56/560959756.db2.gz PCAFSACAZYJUNB-UHFFFAOYSA-N 1 2 364.405 2.343 20 30 FEEDLO C[C@@H]([NH2+][C@@H](C)c1nc(Cc2ccccc2)no1)C(=O)NC1(C#N)CCC1 ZINC000469771280 560964346 /nfs/dbraw/zinc/96/43/46/560964346.db2.gz ZENVBQKGZJINTF-KGLIPLIRSA-N 1 2 353.426 2.262 20 30 FEEDLO C=CCOCCC[NH+]1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1 ZINC000470717780 560987964 /nfs/dbraw/zinc/98/79/64/560987964.db2.gz VVPMDZVJPCNSEX-UHFFFAOYSA-N 1 2 352.500 2.202 20 30 FEEDLO N#C[C@@H](c1cccc(Cl)c1)N1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000471025079 560996748 /nfs/dbraw/zinc/99/67/48/560996748.db2.gz IFOZOMDSDWFVFR-INIZCTEOSA-N 1 2 374.832 2.327 20 30 FEEDLO COC(=O)C[C@@H]1CSCC[N@@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000471193385 560999966 /nfs/dbraw/zinc/99/99/66/560999966.db2.gz GLWOKDKUUAGXKF-CQSZACIVSA-N 1 2 358.423 2.089 20 30 FEEDLO COC(=O)C[C@@H]1CSCC[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000471193385 560999967 /nfs/dbraw/zinc/99/99/67/560999967.db2.gz GLWOKDKUUAGXKF-CQSZACIVSA-N 1 2 358.423 2.089 20 30 FEEDLO CCOC(=O)C1(CC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCC1 ZINC000473481399 561050870 /nfs/dbraw/zinc/05/08/70/561050870.db2.gz IUDQTOYAOFQTLW-UHFFFAOYSA-N 1 2 369.465 2.326 20 30 FEEDLO Cc1nc2sccn2c1C[N@H+](C)CC(=O)NCc1cccc(C#N)c1 ZINC000474288528 561070306 /nfs/dbraw/zinc/07/03/06/561070306.db2.gz LCQSMPRPDWAHQJ-UHFFFAOYSA-N 1 2 353.451 2.324 20 30 FEEDLO Cc1nc2sccn2c1C[N@@H+](C)CC(=O)NCc1cccc(C#N)c1 ZINC000474288528 561070307 /nfs/dbraw/zinc/07/03/07/561070307.db2.gz LCQSMPRPDWAHQJ-UHFFFAOYSA-N 1 2 353.451 2.324 20 30 FEEDLO Cn1cc[nH+]c1[C@H](NS(=O)(=O)CC1(C#N)CCC1)c1cccc(F)c1 ZINC000474589906 561077729 /nfs/dbraw/zinc/07/77/29/561077729.db2.gz YJQGMLQILJRIAS-OAHLLOKOSA-N 1 2 362.430 2.262 20 30 FEEDLO COc1ccc(C[N@@H+]2CC[C@@H]2CNS(=O)(=O)c2ccccc2C#N)cc1 ZINC000528505043 562333008 /nfs/dbraw/zinc/33/30/08/562333008.db2.gz XPFRFJIFCAULMG-QGZVFWFLSA-N 1 2 371.462 2.120 20 30 FEEDLO COc1ccc(C[N@H+]2CC[C@@H]2CNS(=O)(=O)c2ccccc2C#N)cc1 ZINC000528505043 562333009 /nfs/dbraw/zinc/33/30/09/562333009.db2.gz XPFRFJIFCAULMG-QGZVFWFLSA-N 1 2 371.462 2.120 20 30 FEEDLO CC1(C)C[N@H+](C[C@H](O)COc2ccccc2C#N)C[C@H](C(F)(F)F)O1 ZINC000528511642 562333384 /nfs/dbraw/zinc/33/33/84/562333384.db2.gz GGVUGVNYKDHFKX-DZGCQCFKSA-N 1 2 358.360 2.340 20 30 FEEDLO CC1(C)C[N@@H+](C[C@H](O)COc2ccccc2C#N)C[C@H](C(F)(F)F)O1 ZINC000528511642 562333385 /nfs/dbraw/zinc/33/33/85/562333385.db2.gz GGVUGVNYKDHFKX-DZGCQCFKSA-N 1 2 358.360 2.340 20 30 FEEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCO[C@H](COCC)C1 ZINC000528724692 562343958 /nfs/dbraw/zinc/34/39/58/562343958.db2.gz USZJGMVICTUYDC-CVEARBPZSA-N 1 2 352.500 2.389 20 30 FEEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCO[C@H](COCC)C1 ZINC000528724692 562343959 /nfs/dbraw/zinc/34/39/59/562343959.db2.gz USZJGMVICTUYDC-CVEARBPZSA-N 1 2 352.500 2.389 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCN(c2cccc3[nH]ccc32)CC1 ZINC000528761310 562346230 /nfs/dbraw/zinc/34/62/30/562346230.db2.gz HNQAEDVXERRQME-FQEVSTJZSA-N 1 2 353.470 2.344 20 30 FEEDLO C=CCOc1ccc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)S3(=O)=O)cc1OC ZINC000529676438 562380831 /nfs/dbraw/zinc/38/08/31/562380831.db2.gz VQAQPILMIVEOJB-CVEARBPZSA-N 1 2 351.468 2.412 20 30 FEEDLO C=CCOc1ccc(C[N@H+]2CC[C@H]3CC[C@@H](C2)S3(=O)=O)cc1OC ZINC000529676438 562380832 /nfs/dbraw/zinc/38/08/32/562380832.db2.gz VQAQPILMIVEOJB-CVEARBPZSA-N 1 2 351.468 2.412 20 30 FEEDLO N#CCN1CCC[C@H](CNC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)C1 ZINC000530639778 562418548 /nfs/dbraw/zinc/41/85/48/562418548.db2.gz XDGWLPSQAKHHHJ-IEBWSBKVSA-N 1 2 372.538 2.128 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000532727461 562487052 /nfs/dbraw/zinc/48/70/52/562487052.db2.gz YBQMURKZTPVFKT-QFUCXCTJSA-N 1 2 367.497 2.312 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCN3C(=O)CC[C@@H]3C2)c1 ZINC000535033989 562548967 /nfs/dbraw/zinc/54/89/67/562548967.db2.gz FZUVRJHECUVQNO-ZWKOTPCHSA-N 1 2 368.481 2.245 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CCN3C(=O)CC[C@@H]3C2)c1 ZINC000535033989 562548968 /nfs/dbraw/zinc/54/89/68/562548968.db2.gz FZUVRJHECUVQNO-ZWKOTPCHSA-N 1 2 368.481 2.245 20 30 FEEDLO CC(C)CCC[C@H](C)NC(=O)C[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000546212046 562635161 /nfs/dbraw/zinc/63/51/61/562635161.db2.gz UXEUPDWGGZZPAM-KRWDZBQOSA-N 1 2 357.502 2.406 20 30 FEEDLO CN1CCCC[C@H]([N@H+](C)CC(=O)Nc2ccccc2SCC#N)C1=O ZINC000601969747 567890203 /nfs/dbraw/zinc/89/02/03/567890203.db2.gz KUTDXJXOHBABML-HNNXBMFYSA-N 1 2 360.483 2.183 20 30 FEEDLO CN1CCCC[C@H]([N@@H+](C)CC(=O)Nc2ccccc2SCC#N)C1=O ZINC000601969747 567890204 /nfs/dbraw/zinc/89/02/04/567890204.db2.gz KUTDXJXOHBABML-HNNXBMFYSA-N 1 2 360.483 2.183 20 30 FEEDLO N#Cc1ccc(C[C@H](C#N)C(=O)N2CC[NH+](CCc3ccncc3)CC2)cc1 ZINC000602199131 567950621 /nfs/dbraw/zinc/95/06/21/567950621.db2.gz NAKFKZGYCPFFSI-OAQYLSRUSA-N 1 2 373.460 2.022 20 30 FEEDLO C[C@H](CCC#N)C[NH+]1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000602431114 567979596 /nfs/dbraw/zinc/97/95/96/567979596.db2.gz BVZOGPIYABTKBN-CYBMUJFWSA-N 1 2 357.426 2.211 20 30 FEEDLO CSc1ccc(CN(C)C(=O)C[NH+]2C[C@H](C)N(CC#N)[C@@H](C)C2)cc1 ZINC000602855681 568002258 /nfs/dbraw/zinc/00/22/58/568002258.db2.gz IGENBPBYXJFVMW-HOTGVXAUSA-N 1 2 360.527 2.285 20 30 FEEDLO Cc1cccc(N(CCC#N)C(=O)C[NH+]2C[C@@H](C)N(CC#N)[C@H](C)C2)c1C ZINC000602859199 568003196 /nfs/dbraw/zinc/00/31/96/568003196.db2.gz XFXYYAZGGHUDRI-QZTJIDSGSA-N 1 2 367.497 2.468 20 30 FEEDLO C[C@H](CC#N)[NH2+][C@@H](C)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 ZINC000602870462 568009140 /nfs/dbraw/zinc/00/91/40/568009140.db2.gz UFGSONIBUQEKTH-ZJUUUORDSA-N 1 2 354.332 2.271 20 30 FEEDLO CN1CCN(c2cc(N[C@@H]3CCCc4cc(C#N)ccc43)[nH+]cn2)CC1=O ZINC000568373581 568034694 /nfs/dbraw/zinc/03/46/94/568034694.db2.gz LDNHIYWRVQHBKQ-QGZVFWFLSA-N 1 2 362.437 2.116 20 30 FEEDLO CN1CCN(c2cc(N[C@@H]3CCCc4cc(C#N)ccc43)nc[nH+]2)CC1=O ZINC000568373581 568034695 /nfs/dbraw/zinc/03/46/95/568034695.db2.gz LDNHIYWRVQHBKQ-QGZVFWFLSA-N 1 2 362.437 2.116 20 30 FEEDLO CCN(Cc1ccc2c(c1)OCCO2)C(=O)C[N@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602975365 568035819 /nfs/dbraw/zinc/03/58/19/568035819.db2.gz ABAXIMIMIRKMSP-IRXDYDNUSA-N 1 2 357.454 2.430 20 30 FEEDLO CCN(Cc1ccc2c(c1)OCCO2)C(=O)C[N@@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602975365 568035820 /nfs/dbraw/zinc/03/58/20/568035820.db2.gz ABAXIMIMIRKMSP-IRXDYDNUSA-N 1 2 357.454 2.430 20 30 FEEDLO C=CC[N@H+](C[C@@H]1CCc2ncnn21)[C@H](Cc1ccccc1)C(=O)OCC ZINC000602813101 568042615 /nfs/dbraw/zinc/04/26/15/568042615.db2.gz DUYNQWBSFNTNBV-ZWKOTPCHSA-N 1 2 354.454 2.428 20 30 FEEDLO C=CC[N@@H+](C[C@@H]1CCc2ncnn21)[C@H](Cc1ccccc1)C(=O)OCC ZINC000602813101 568042618 /nfs/dbraw/zinc/04/26/18/568042618.db2.gz DUYNQWBSFNTNBV-ZWKOTPCHSA-N 1 2 354.454 2.428 20 30 FEEDLO CC(C)OCc1ccc(CNC(=O)C[NH+]2C[C@H](C)N(CC#N)[C@@H](C)C2)cc1 ZINC000602860497 568049479 /nfs/dbraw/zinc/04/94/79/568049479.db2.gz IVVCRSBJZMDKEN-ROUUACIJSA-N 1 2 372.513 2.146 20 30 FEEDLO C[C@@H]1C[NH+](CC(=O)Nc2ccc(OC(F)F)cc2)C[C@@H](C)N1CC#N ZINC000602861131 568049618 /nfs/dbraw/zinc/04/96/18/568049618.db2.gz KQAUZQUUQFEOKF-CHWSQXEVSA-N 1 2 352.385 2.145 20 30 FEEDLO CCCOc1ccc(CNC(=O)C[NH+]2CCN([C@@H](C#N)C(C)C)CC2)cc1 ZINC000609484801 568345023 /nfs/dbraw/zinc/34/50/23/568345023.db2.gz KQSNKHZQJXSLHQ-FQEVSTJZSA-N 1 2 372.513 2.257 20 30 FEEDLO C[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000821609643 599559493 /nfs/dbraw/zinc/55/94/93/599559493.db2.gz FZIYTXHQLDNOHC-UHFFFAOYSA-N 1 2 372.392 2.420 20 30 FEEDLO C[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000821609643 599559495 /nfs/dbraw/zinc/55/94/95/599559495.db2.gz FZIYTXHQLDNOHC-UHFFFAOYSA-N 1 2 372.392 2.420 20 30 FEEDLO C#CC[N@H+](Cc1cnc2ccc(-c3nn[nH]n3)cn12)Cc1ccc(F)cc1 ZINC000823849936 608634614 /nfs/dbraw/zinc/63/46/14/608634614.db2.gz DGEPZRASFXXSMA-UHFFFAOYSA-N 1 2 361.384 2.289 20 30 FEEDLO C#CC[N@@H+](Cc1cnc2ccc(-c3nn[nH]n3)cn12)Cc1ccc(F)cc1 ZINC000823849936 608634615 /nfs/dbraw/zinc/63/46/15/608634615.db2.gz DGEPZRASFXXSMA-UHFFFAOYSA-N 1 2 361.384 2.289 20 30 FEEDLO C[C@H]1CC[N@H+](Cc2cn(CCC#N)nc2-c2ccncc2)CC[S@@]1=O ZINC000562427528 674755039 /nfs/dbraw/zinc/75/50/39/674755039.db2.gz ZOXMLUNWKQTXLF-MQNRADLISA-N 1 2 357.483 2.202 20 30 FEEDLO C[C@H]1CC[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)CC[S@@]1=O ZINC000562427528 674755042 /nfs/dbraw/zinc/75/50/42/674755042.db2.gz ZOXMLUNWKQTXLF-MQNRADLISA-N 1 2 357.483 2.202 20 30 FEEDLO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@H](C)C#N ZINC000564776344 675060778 /nfs/dbraw/zinc/06/07/78/675060778.db2.gz VJYLCIAUOPIAFG-MNOVXSKESA-N 1 2 354.248 2.212 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(c3ccc(Br)cn3)CC2)nc1 ZINC000571578467 670895571 /nfs/dbraw/zinc/89/55/71/670895571.db2.gz NTDIFCIXKJWKEJ-UHFFFAOYSA-N 1 2 358.243 2.433 20 30 FEEDLO Cc1ncc(S(=O)(=O)N2C[C@H](C)[NH2+]Cc3ccc(F)cc32)cc1C#N ZINC000575936429 671332292 /nfs/dbraw/zinc/33/22/92/671332292.db2.gz UKPXMGGJEDMPCT-NSHDSACASA-N 1 2 360.414 2.088 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(C(=O)OC(C)(C)C)CC1 ZINC000608976896 675908255 /nfs/dbraw/zinc/90/82/55/675908255.db2.gz YSLJPALKYBDJJN-AUUYWEPGSA-N 1 2 351.491 2.483 20 30 FEEDLO C[N@@H+]1CC[C@H](NS(=O)(=O)CC2(C#N)CCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000578063461 671637647 /nfs/dbraw/zinc/63/76/47/671637647.db2.gz LMUSIHYFQOJVJH-JKSUJKDBSA-N 1 2 369.437 2.323 20 30 FEEDLO C[N@H+]1CC[C@H](NS(=O)(=O)CC2(C#N)CCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000578063461 671637648 /nfs/dbraw/zinc/63/76/48/671637648.db2.gz LMUSIHYFQOJVJH-JKSUJKDBSA-N 1 2 369.437 2.323 20 30 FEEDLO N#Cc1cncc(S(=O)(=O)N2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC000580640444 671822565 /nfs/dbraw/zinc/82/25/65/671822565.db2.gz BVZGRQJRZBBYLB-UHFFFAOYSA-N 1 2 359.455 2.031 20 30 FEEDLO C=CC[NH+]1CCC(NC(=O)c2sccc2S(=O)(=O)C(F)F)CC1 ZINC000170982723 672328259 /nfs/dbraw/zinc/32/82/59/672328259.db2.gz PIDAERNIKVBSDV-UHFFFAOYSA-N 1 2 364.439 2.125 20 30 FEEDLO CC[N@@H+]1CCN(S(=O)(=O)c2cc(Br)cc(C#N)c2)C[C@H]1C ZINC000611083683 676016032 /nfs/dbraw/zinc/01/60/32/676016032.db2.gz USMJBDAOLUKODO-LLVKDONJSA-N 1 2 372.288 2.035 20 30 FEEDLO CC[N@H+]1CCN(S(=O)(=O)c2cc(Br)cc(C#N)c2)C[C@H]1C ZINC000611083683 676016035 /nfs/dbraw/zinc/01/60/35/676016035.db2.gz USMJBDAOLUKODO-LLVKDONJSA-N 1 2 372.288 2.035 20 30 FEEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCc1ccc(C#N)c(Cl)c1 ZINC000588192298 672456601 /nfs/dbraw/zinc/45/66/01/672456601.db2.gz BXTLZSRJXSIHKW-CZUORRHYSA-N 1 2 362.861 2.216 20 30 FEEDLO C=CCOCCNC(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000679486818 672500435 /nfs/dbraw/zinc/50/04/35/672500435.db2.gz AKAAKUIYUPUIBZ-CQSZACIVSA-N 1 2 353.413 2.431 20 30 FEEDLO C=CCOCCNC(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000679486818 672500440 /nfs/dbraw/zinc/50/04/40/672500440.db2.gz AKAAKUIYUPUIBZ-CQSZACIVSA-N 1 2 353.413 2.431 20 30 FEEDLO C[C@H]([C@H](C)NC(=O)C#Cc1ccc(C(F)(F)F)cc1)[NH+]1CCOCC1 ZINC000191293627 672662894 /nfs/dbraw/zinc/66/28/94/672662894.db2.gz RCFKPJMMNUOCEO-UONOGXRCSA-N 1 2 354.372 2.282 20 30 FEEDLO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592148554 672763900 /nfs/dbraw/zinc/76/39/00/672763900.db2.gz WXXXWQZTKMCKPU-INIZCTEOSA-N 1 2 356.253 2.302 20 30 FEEDLO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592148554 672763902 /nfs/dbraw/zinc/76/39/02/672763902.db2.gz WXXXWQZTKMCKPU-INIZCTEOSA-N 1 2 356.253 2.302 20 30 FEEDLO CCC(CC)[C@H](CNS(=O)(=O)c1ccsc1C#N)[NH+]1CCOCC1 ZINC000593530188 672934927 /nfs/dbraw/zinc/93/49/27/672934927.db2.gz VSFKIJOGUDVBOZ-AWEZNQCLSA-N 1 2 371.528 2.035 20 30 FEEDLO CC(C)(C)CC(=O)N1CSC[C@@H]1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000329136725 673072866 /nfs/dbraw/zinc/07/28/66/673072866.db2.gz CYESXMMEIJHZDC-CQSZACIVSA-N 1 2 371.547 2.391 20 30 FEEDLO CC(C)(C)CC(=O)N1CSC[C@@H]1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000329136725 673072872 /nfs/dbraw/zinc/07/28/72/673072872.db2.gz CYESXMMEIJHZDC-CQSZACIVSA-N 1 2 371.547 2.391 20 30 FEEDLO C[N@@H+]1CCO[C@@H](CNC(=O)CCC(=O)N2CCSc3ccccc32)C1 ZINC000329271602 673074548 /nfs/dbraw/zinc/07/45/48/673074548.db2.gz HPNJGLXSCHPUPW-AWEZNQCLSA-N 1 2 363.483 2.193 20 30 FEEDLO C[N@H+]1CCO[C@@H](CNC(=O)CCC(=O)N2CCSc3ccccc32)C1 ZINC000329271602 673074554 /nfs/dbraw/zinc/07/45/54/673074554.db2.gz HPNJGLXSCHPUPW-AWEZNQCLSA-N 1 2 363.483 2.193 20 30 FEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000730095819 673261660 /nfs/dbraw/zinc/26/16/60/673261660.db2.gz ICMMHWXHIRFYHE-HNNXBMFYSA-N 1 2 368.264 2.488 20 30 FEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000730095819 673261662 /nfs/dbraw/zinc/26/16/62/673261662.db2.gz ICMMHWXHIRFYHE-HNNXBMFYSA-N 1 2 368.264 2.488 20 30 FEEDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)NCc1ccc(C#N)c(Cl)c1 ZINC000596593253 673395986 /nfs/dbraw/zinc/39/59/86/673395986.db2.gz CXNLBFJNLASXJM-OLZOCXBDSA-N 1 2 350.850 2.120 20 30 FEEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)NCc1ccc(C#N)c(Cl)c1 ZINC000596593253 673395990 /nfs/dbraw/zinc/39/59/90/673395990.db2.gz CXNLBFJNLASXJM-OLZOCXBDSA-N 1 2 350.850 2.120 20 30 FEEDLO Cc1c(Br)cncc1CN(CCC#N)CC[NH+]1CCOCC1 ZINC000596985173 673433292 /nfs/dbraw/zinc/43/32/92/673433292.db2.gz QMIQOCYNQMURQN-UHFFFAOYSA-N 1 2 367.291 2.200 20 30 FEEDLO C=CCOc1ccc(CN2CC[NH+](C(C)(C)C(N)=O)CC2)cc1Cl ZINC000539828449 673508732 /nfs/dbraw/zinc/50/87/32/673508732.db2.gz ICFAZGKAMLYIIU-UHFFFAOYSA-N 1 2 351.878 2.286 20 30 FEEDLO N#CCCCNC(=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000542251882 673570409 /nfs/dbraw/zinc/57/04/09/673570409.db2.gz QZUXFMFXHWUZIT-UHFFFAOYSA-N 1 2 350.850 2.350 20 30 FEEDLO N#CC1(C[C@H](O)C[N@@H+]2CCSC[C@H]2c2nccs2)CCOCC1 ZINC000599373489 673665557 /nfs/dbraw/zinc/66/55/57/673665557.db2.gz XFBPTKBFZUOURG-KBPBESRZSA-N 1 2 353.513 2.304 20 30 FEEDLO N#CC1(C[C@H](O)C[N@H+]2CCSC[C@H]2c2nccs2)CCOCC1 ZINC000599373489 673665559 /nfs/dbraw/zinc/66/55/59/673665559.db2.gz XFBPTKBFZUOURG-KBPBESRZSA-N 1 2 353.513 2.304 20 30 FEEDLO NC(=[NH+]OCC(=O)NCCCOC1CCCCC1)c1ccc(F)cc1 ZINC000742353076 673724933 /nfs/dbraw/zinc/72/49/33/673724933.db2.gz OASUSXSETRCWCU-UHFFFAOYSA-N 1 2 351.422 2.318 20 30 FEEDLO COC(=O)c1cn(C2CC[NH+](CC#Cc3ccccc3Cl)CC2)nn1 ZINC000544761002 673731282 /nfs/dbraw/zinc/73/12/82/673731282.db2.gz AYDTZTISGOCVFO-UHFFFAOYSA-N 1 2 358.829 2.407 20 30 FEEDLO COCC[N@H+](C)Cc1cn(Cc2cc(C#N)ccc2Br)nn1 ZINC000603242699 673919551 /nfs/dbraw/zinc/91/95/51/673919551.db2.gz VAJDTWZKFLBRTI-UHFFFAOYSA-N 1 2 364.247 2.039 20 30 FEEDLO COCC[N@@H+](C)Cc1cn(Cc2cc(C#N)ccc2Br)nn1 ZINC000603242699 673919555 /nfs/dbraw/zinc/91/95/55/673919555.db2.gz VAJDTWZKFLBRTI-UHFFFAOYSA-N 1 2 364.247 2.039 20 30 FEEDLO C[N@@H+]1CCc2c(cccc2S(=O)(=O)N2CCc3ccc(C#N)cc32)C1 ZINC000603303050 673923656 /nfs/dbraw/zinc/92/36/56/673923656.db2.gz GSKHGIMQYNXGGG-UHFFFAOYSA-N 1 2 353.447 2.298 20 30 FEEDLO C[N@H+]1CCc2c(cccc2S(=O)(=O)N2CCc3ccc(C#N)cc32)C1 ZINC000603303050 673923660 /nfs/dbraw/zinc/92/36/60/673923660.db2.gz GSKHGIMQYNXGGG-UHFFFAOYSA-N 1 2 353.447 2.298 20 30 FEEDLO C[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)c1ncn(C)n1 ZINC000548731624 673990821 /nfs/dbraw/zinc/99/08/21/673990821.db2.gz SOURIXGMZVEHSU-LLVKDONJSA-N 1 2 358.471 2.306 20 30 FEEDLO C[C@H](C[NH+]1CCC(C)CC1)NS(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000567368398 675287948 /nfs/dbraw/zinc/28/79/48/675287948.db2.gz VATUSXLMIOMELO-GFCCVEGCSA-N 1 2 357.426 2.235 20 30 FEEDLO C[C@@H](C[NH+]1CCC(C)CC1)NS(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000567368399 675288027 /nfs/dbraw/zinc/28/80/27/675288027.db2.gz VATUSXLMIOMELO-LBPRGKRZSA-N 1 2 357.426 2.235 20 30 FEEDLO C[N@@H+]1CC[C@H](NC(=O)N2CC[C@](F)(C#N)C2)[C@H]1c1ccc(F)c(F)c1 ZINC000615547682 676219185 /nfs/dbraw/zinc/21/91/85/676219185.db2.gz VVOZGQIHIVWVJR-UXLLHSPISA-N 1 2 352.360 2.357 20 30 FEEDLO C[N@H+]1CC[C@H](NC(=O)N2CC[C@](F)(C#N)C2)[C@H]1c1ccc(F)c(F)c1 ZINC000615547682 676219188 /nfs/dbraw/zinc/21/91/88/676219188.db2.gz VVOZGQIHIVWVJR-UXLLHSPISA-N 1 2 352.360 2.357 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)NCc2ccccc2Cn2cc[nH+]c2)s1 ZINC000619548048 676384205 /nfs/dbraw/zinc/38/42/05/676384205.db2.gz LPKYSWQNXJDXDV-UHFFFAOYSA-N 1 2 358.448 2.343 20 30 FEEDLO CC[N@@H+]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)C[C@@H]1C ZINC000619712625 676391791 /nfs/dbraw/zinc/39/17/91/676391791.db2.gz LCFRUSPJAUZCBQ-NSHDSACASA-N 1 2 361.389 2.292 20 30 FEEDLO CC[N@H+]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)C[C@@H]1C ZINC000619712625 676391793 /nfs/dbraw/zinc/39/17/93/676391793.db2.gz LCFRUSPJAUZCBQ-NSHDSACASA-N 1 2 361.389 2.292 20 30 FEEDLO C=CCOc1c(Cl)cc(C[N@@H+]2CC[C@H](NS(C)(=O)=O)C2)cc1OC ZINC000628180006 676793787 /nfs/dbraw/zinc/79/37/87/676793787.db2.gz YBHFOJINFYZSBW-ZDUSSCGKSA-N 1 2 374.890 2.037 20 30 FEEDLO C=CCOc1c(Cl)cc(C[N@H+]2CC[C@H](NS(C)(=O)=O)C2)cc1OC ZINC000628180006 676793789 /nfs/dbraw/zinc/79/37/89/676793789.db2.gz YBHFOJINFYZSBW-ZDUSSCGKSA-N 1 2 374.890 2.037 20 30 FEEDLO CC#CC[NH2+]Cc1cn([C@@H](C)C(=O)N2CCC[C@@H]2c2cccs2)nn1 ZINC000640927619 677191888 /nfs/dbraw/zinc/19/18/88/677191888.db2.gz WAQIMOPJFRCDTJ-GOEBONIOSA-N 1 2 357.483 2.377 20 30 FEEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)nn1 ZINC000641107002 677194422 /nfs/dbraw/zinc/19/44/22/677194422.db2.gz DBAYKSPZIXLGJV-MRXNPFEDSA-N 1 2 361.808 2.162 20 30 FEEDLO CC#CC[NH2+]Cc1cn(C[C@H](O)COc2cc(Cl)cc(Cl)c2)nn1 ZINC000641221180 677197175 /nfs/dbraw/zinc/19/71/75/677197175.db2.gz QKWVTUBSZSWMQI-HNNXBMFYSA-N 1 2 369.252 2.138 20 30 FEEDLO C=CCNS(=O)(=O)c1ccccc1N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000641435335 677206091 /nfs/dbraw/zinc/20/60/91/677206091.db2.gz GNJHYSAVWUTYQQ-RDJZCZTQSA-N 1 2 360.483 2.435 20 30 FEEDLO C=CCNS(=O)(=O)c1ccccc1N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000641543475 677209576 /nfs/dbraw/zinc/20/95/76/677209576.db2.gz GRLSNQQLFIWVLY-MRXNPFEDSA-N 1 2 359.451 2.204 20 30 FEEDLO C=CC[C@@H]1CCC[N@@H+](CC(=O)N(CCCC)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000661377646 678472717 /nfs/dbraw/zinc/47/27/17/678472717.db2.gz RBOWCKTUQWZICS-IAGOWNOFSA-N 1 2 356.532 2.090 20 30 FEEDLO C=CC[C@@H]1CCC[N@H+](CC(=O)N(CCCC)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000661377646 678472720 /nfs/dbraw/zinc/47/27/20/678472720.db2.gz RBOWCKTUQWZICS-IAGOWNOFSA-N 1 2 356.532 2.090 20 30 FEEDLO Nc1c(Br)cc(Br)cc1C=[NH+]N1CCOCC1 ZINC000763406727 680782281 /nfs/dbraw/zinc/78/22/81/680782281.db2.gz HRKQZBWKGHIZGW-UHFFFAOYSA-N 1 2 363.053 2.460 20 30 FEEDLO C=CCN1CCN(C[NH+]2CCC(Oc3ccc(Cl)cn3)CC2)C1=O ZINC000840169232 680804058 /nfs/dbraw/zinc/80/40/58/680804058.db2.gz BFEBNQKLTWJVIT-UHFFFAOYSA-N 1 2 350.850 2.459 20 30 FEEDLO C=CCn1c(-c2cnccn2)nn(C[N@H+](CC)C[C@H]2CCOC2)c1=S ZINC000765010057 680827075 /nfs/dbraw/zinc/82/70/75/680827075.db2.gz OQVGTVULQHUASR-CQSZACIVSA-N 1 2 360.487 2.373 20 30 FEEDLO C=CCn1c(-c2cnccn2)nn(C[N@@H+](CC)C[C@H]2CCOC2)c1=S ZINC000765010057 680827076 /nfs/dbraw/zinc/82/70/76/680827076.db2.gz OQVGTVULQHUASR-CQSZACIVSA-N 1 2 360.487 2.373 20 30 FEEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001008495282 679904677 /nfs/dbraw/zinc/90/46/77/679904677.db2.gz BKXOZJPITBKGCQ-UGSOOPFHSA-N 1 2 364.877 2.228 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nncs1 ZINC001021260348 680145276 /nfs/dbraw/zinc/14/52/76/680145276.db2.gz LVQCXEODLLNHNB-BMRXWSCTSA-N 1 2 362.499 2.131 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nncs1 ZINC001021260348 680145279 /nfs/dbraw/zinc/14/52/79/680145279.db2.gz LVQCXEODLLNHNB-BMRXWSCTSA-N 1 2 362.499 2.131 20 30 FEEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)CC)C1 ZINC000993607211 680172324 /nfs/dbraw/zinc/17/23/24/680172324.db2.gz OPPIGEICMIZRLD-CHWSQXEVSA-N 1 2 352.866 2.019 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](Cc2nncs2)CC1 ZINC000997590332 680359717 /nfs/dbraw/zinc/35/97/17/680359717.db2.gz XWVMJZCRKKSWKK-IMJJTQAJSA-N 1 2 364.515 2.236 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]([N@@H+](C)Cc2ncc(Cl)n2C)C1 ZINC001027586021 680360698 /nfs/dbraw/zinc/36/06/98/680360698.db2.gz VMYUVYUGJXHETR-KFWWJZLASA-N 1 2 366.893 2.087 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]([N@H+](C)Cc2ncc(Cl)n2C)C1 ZINC001027586021 680360704 /nfs/dbraw/zinc/36/07/04/680360704.db2.gz VMYUVYUGJXHETR-KFWWJZLASA-N 1 2 366.893 2.087 20 30 FEEDLO O=C(NC[C@@H]1CCC[N@H+]1CC#Cc1ccccc1Cl)[C@]12C[C@H]1COC2 ZINC001027896436 680363603 /nfs/dbraw/zinc/36/36/03/680363603.db2.gz PTMKXNXFKZRXMN-ZWOKBUDYSA-N 1 2 358.869 2.309 20 30 FEEDLO O=C(NC[C@@H]1CCC[N@@H+]1CC#Cc1ccccc1Cl)[C@]12C[C@H]1COC2 ZINC001027896436 680363608 /nfs/dbraw/zinc/36/36/08/680363608.db2.gz PTMKXNXFKZRXMN-ZWOKBUDYSA-N 1 2 358.869 2.309 20 30 FEEDLO C=C(Br)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@]12CCC[C@H]1OCC2 ZINC001028021179 680367585 /nfs/dbraw/zinc/36/75/85/680367585.db2.gz JXBUCVYXZRAMBI-FMKPAKJESA-N 1 2 357.292 2.435 20 30 FEEDLO C=C(Br)C[N@H+]1CCC[C@@H]1CNC(=O)[C@]12CCC[C@H]1OCC2 ZINC001028021179 680367589 /nfs/dbraw/zinc/36/75/89/680367589.db2.gz JXBUCVYXZRAMBI-FMKPAKJESA-N 1 2 357.292 2.435 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2nnc(C(C)C)s2)C1 ZINC001028812602 680383981 /nfs/dbraw/zinc/38/39/81/680383981.db2.gz HMTHZNZRAHTFFY-ZNMIVQPWSA-N 1 2 364.515 2.191 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2nnc(C(C)C)s2)C1 ZINC001028812602 680383990 /nfs/dbraw/zinc/38/39/90/680383990.db2.gz HMTHZNZRAHTFFY-ZNMIVQPWSA-N 1 2 364.515 2.191 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2nnc(CC)s2)C1 ZINC001028860928 680385857 /nfs/dbraw/zinc/38/58/57/680385857.db2.gz HUMCXENLWOPHGR-KEYYUXOJSA-N 1 2 364.515 2.020 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](Cc2nnc(CC)s2)C1 ZINC001028860928 680385860 /nfs/dbraw/zinc/38/58/60/680385860.db2.gz HUMCXENLWOPHGR-KEYYUXOJSA-N 1 2 364.515 2.020 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1C[NH+](Cc2cc(OC)ccc2Cl)C1 ZINC001031986789 680410406 /nfs/dbraw/zinc/41/04/06/680410406.db2.gz DYXUQFCLGRAMCO-AEFFLSMTSA-N 1 2 364.873 2.488 20 30 FEEDLO C=C(Br)C[N@H+]1CC=C(CNC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)CC1 ZINC001000961867 680444336 /nfs/dbraw/zinc/44/43/36/680444336.db2.gz XAUZNAJGDSMDMO-HRCADAONSA-N 1 2 369.303 2.458 20 30 FEEDLO C=C(Br)C[N@@H+]1CC=C(CNC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)CC1 ZINC001000961867 680444338 /nfs/dbraw/zinc/44/43/38/680444338.db2.gz XAUZNAJGDSMDMO-HRCADAONSA-N 1 2 369.303 2.458 20 30 FEEDLO C=C(Br)C[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1 ZINC001006033188 680591617 /nfs/dbraw/zinc/59/16/17/680591617.db2.gz RPSDHFCQEWJJRW-KFWWJZLASA-N 1 2 357.292 2.385 20 30 FEEDLO C=CCNc1ncc(C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)s1 ZINC000771044620 681038699 /nfs/dbraw/zinc/03/86/99/681038699.db2.gz HSYBAEJREKSJGT-ZIAGYGMSSA-N 1 2 350.488 2.114 20 30 FEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC001051101313 681062284 /nfs/dbraw/zinc/06/22/84/681062284.db2.gz PZSMKKSMBWLJGR-RRFJBIMHSA-N 1 2 350.409 2.461 20 30 FEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC001051101313 681062285 /nfs/dbraw/zinc/06/22/85/681062285.db2.gz PZSMKKSMBWLJGR-RRFJBIMHSA-N 1 2 350.409 2.461 20 30 FEEDLO C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1CNc1ncc(C#N)cc1Cl ZINC001054572854 681113600 /nfs/dbraw/zinc/11/36/00/681113600.db2.gz QLSAEWXPMYOEOR-DGCLKSJQSA-N 1 2 358.833 2.079 20 30 FEEDLO CC(C)(C)OC[C@@H]1CCC[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000932167917 681187648 /nfs/dbraw/zinc/18/76/48/681187648.db2.gz BCPGWWDRLJYEMV-HNNXBMFYSA-N 1 2 351.472 2.006 20 30 FEEDLO CC(C)(C)OC[C@@H]1CCC[N@H+]1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000932167917 681187653 /nfs/dbraw/zinc/18/76/53/681187653.db2.gz BCPGWWDRLJYEMV-HNNXBMFYSA-N 1 2 351.472 2.006 20 30 FEEDLO C#CCCN1CC[NH+](C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000776593195 681412527 /nfs/dbraw/zinc/41/25/27/681412527.db2.gz SLEWRINYMWTEQC-AWEZNQCLSA-N 1 2 357.281 2.374 20 30 FEEDLO CN(C)[S@@](C)(=O)=NCC1CC[NH+](Cc2ccc(F)cc2C#N)CC1 ZINC000934759247 681624991 /nfs/dbraw/zinc/62/49/91/681624991.db2.gz JHSRCESIXGGDEH-DEOSSOPVSA-N 1 2 352.479 2.484 20 30 FEEDLO Cn1cc([C@H]2CN(C(=O)c3c(Cl)cc(C#N)cc3Cl)CC[NH2+]2)cn1 ZINC000913463876 685477972 /nfs/dbraw/zinc/47/79/72/685477972.db2.gz KEYCJFZWIJHABJ-CQSZACIVSA-N 1 2 364.236 2.385 20 30 FEEDLO Cc1cc(C#N)cc(C)c1CS(=O)(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000913845738 685486414 /nfs/dbraw/zinc/48/64/14/685486414.db2.gz XYIOUEMXSSZGTA-KRWDZBQOSA-N 1 2 361.467 2.490 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cnc(Cl)s3)C[C@H]21 ZINC000962020195 682107339 /nfs/dbraw/zinc/10/73/39/682107339.db2.gz XHOMBFXGTJKBNI-AHDPXTMNSA-N 1 2 367.902 2.324 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cnc(Cl)s3)C[C@H]21 ZINC000962020195 682107346 /nfs/dbraw/zinc/10/73/46/682107346.db2.gz XHOMBFXGTJKBNI-AHDPXTMNSA-N 1 2 367.902 2.324 20 30 FEEDLO COCC[N@H+](CCC#N)C[C@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1 ZINC000851798352 682138983 /nfs/dbraw/zinc/13/89/83/682138983.db2.gz QUBJUQPCOZJWNM-OAHLLOKOSA-N 1 2 353.463 2.017 20 30 FEEDLO COCC[N@@H+](CCC#N)C[C@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1 ZINC000851798352 682138985 /nfs/dbraw/zinc/13/89/85/682138985.db2.gz QUBJUQPCOZJWNM-OAHLLOKOSA-N 1 2 353.463 2.017 20 30 FEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2nn(C)cc2Cl)C1 ZINC000970220824 682289419 /nfs/dbraw/zinc/28/94/19/682289419.db2.gz MHWGSXLUICDPQP-KEYYUXOJSA-N 1 2 366.893 2.135 20 30 FEEDLO C#CCCCOc1ccc[nH+]c1NC1CCN(S(=O)(=O)CC)CC1 ZINC000853135549 682381594 /nfs/dbraw/zinc/38/15/94/682381594.db2.gz BFBVMDSZDFYXGD-UHFFFAOYSA-N 1 2 351.472 2.100 20 30 FEEDLO C=CCOCC(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC000787536941 682463352 /nfs/dbraw/zinc/46/33/52/682463352.db2.gz SIGIPAGDLLKNLT-UHFFFAOYSA-N 1 2 368.275 2.342 20 30 FEEDLO Cc1nn(C)c(N2CC[NH+](C[C@H](O)c3cccc(Cl)c3)CC2)c1C#N ZINC000788275484 682516402 /nfs/dbraw/zinc/51/64/02/682516402.db2.gz NFQODEAKEFABQO-KRWDZBQOSA-N 1 2 359.861 2.109 20 30 FEEDLO O=c1[nH]ccc2cc(N[NH+]=Cc3cnc(N4CCOCC4)s3)ccc21 ZINC000789074194 682577519 /nfs/dbraw/zinc/57/75/19/682577519.db2.gz XTPLHPJNFKICDN-UHFFFAOYSA-N 1 2 355.423 2.267 20 30 FEEDLO C[N@@H+]1CC[C@@H](NS(=O)(=O)CC(C)(C)C#N)[C@H]1c1ccc(F)c(F)c1 ZINC000790043801 682651213 /nfs/dbraw/zinc/65/12/13/682651213.db2.gz MDBIXNSQHWLHLW-HUUCEWRRSA-N 1 2 357.426 2.179 20 30 FEEDLO C[N@H+]1CC[C@@H](NS(=O)(=O)CC(C)(C)C#N)[C@H]1c1ccc(F)c(F)c1 ZINC000790043801 682651215 /nfs/dbraw/zinc/65/12/15/682651215.db2.gz MDBIXNSQHWLHLW-HUUCEWRRSA-N 1 2 357.426 2.179 20 30 FEEDLO Cc1nc(CCON=C(N)c2ccc(C[NH+]3CCOCC3)cc2)cs1 ZINC000790499650 682682029 /nfs/dbraw/zinc/68/20/29/682682029.db2.gz WMKOHGYGZLLLAF-UHFFFAOYSA-N 1 2 360.483 2.163 20 30 FEEDLO CC[C@H]([NH2+]C[C@@H]1CCCCN1S(C)(=O)=O)c1cccc(C#N)c1O ZINC000926415635 683122811 /nfs/dbraw/zinc/12/28/11/683122811.db2.gz ULYJLKICUJENNW-HOCLYGCPSA-N 1 2 351.472 2.119 20 30 FEEDLO CC(C)NC(=O)OC[C@H]1CCCC[N@@H+]1CC(=O)N[C@@](C)(C#N)C(C)C ZINC000796706061 683188068 /nfs/dbraw/zinc/18/80/68/683188068.db2.gz VEAPSFQAXULNNE-QAPCUYQASA-N 1 2 352.479 2.030 20 30 FEEDLO CC(C)NC(=O)OC[C@H]1CCCC[N@H+]1CC(=O)N[C@@](C)(C#N)C(C)C ZINC000796706061 683188071 /nfs/dbraw/zinc/18/80/71/683188071.db2.gz VEAPSFQAXULNNE-QAPCUYQASA-N 1 2 352.479 2.030 20 30 FEEDLO N#Cc1ccc(Cl)c(S(=O)(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)c1 ZINC000921322099 683423257 /nfs/dbraw/zinc/42/32/57/683423257.db2.gz NPGVMHSRAWTNBM-UONOGXRCSA-N 1 2 371.915 2.070 20 30 FEEDLO N#Cc1ccc(Cl)c(S(=O)(=O)N[C@H]2CCC[N@H+]3CCSC[C@H]23)c1 ZINC000921322099 683423258 /nfs/dbraw/zinc/42/32/58/683423258.db2.gz NPGVMHSRAWTNBM-UONOGXRCSA-N 1 2 371.915 2.070 20 30 FEEDLO C#CC[C@H](CO)NC(=O)N[C@H]1CC[N@@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000921796543 683577278 /nfs/dbraw/zinc/57/72/78/683577278.db2.gz JUAOKLVQTBOCHV-COXVUDFISA-N 1 2 367.852 2.298 20 30 FEEDLO C#CC[C@H](CO)NC(=O)N[C@H]1CC[N@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000921796543 683577284 /nfs/dbraw/zinc/57/72/84/683577284.db2.gz JUAOKLVQTBOCHV-COXVUDFISA-N 1 2 367.852 2.298 20 30 FEEDLO C[C@@](O)(C[NH+]1CCN(c2ccc(C#N)cn2)CC1)C(F)(F)C(F)(F)F ZINC000929327105 683579328 /nfs/dbraw/zinc/57/93/28/683579328.db2.gz DTFSBWSBTXCGCQ-CYBMUJFWSA-N 1 2 364.318 2.024 20 30 FEEDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)NCc1ccc(C#N)c(Cl)c1 ZINC000922374647 683709692 /nfs/dbraw/zinc/70/96/92/683709692.db2.gz NZSUBICXMZSJLD-OAHLLOKOSA-N 1 2 350.850 2.122 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Cc3cccnc3Cl)CC2)cc1 ZINC000864537596 683865388 /nfs/dbraw/zinc/86/53/88/683865388.db2.gz KBLIJSBVLDIOLE-UHFFFAOYSA-N 1 2 354.841 2.494 20 30 FEEDLO C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc1c[nH+]cn1C ZINC000867331726 684249884 /nfs/dbraw/zinc/24/98/84/684249884.db2.gz HOTNTNVPIFVADZ-ZDUSSCGKSA-N 1 2 356.854 2.115 20 30 FEEDLO CC(C)(C)OC(=O)N[C@H]1C[N@H+](C[C@H](O)CC#N)CC[C@H]1C(F)(F)F ZINC000931982475 684381883 /nfs/dbraw/zinc/38/18/83/684381883.db2.gz SHDMWCAWRNTQRA-UTUOFQBUSA-N 1 2 351.369 2.038 20 30 FEEDLO CC(C)(C)OC(=O)N[C@H]1C[N@@H+](C[C@H](O)CC#N)CC[C@H]1C(F)(F)F ZINC000931982475 684381888 /nfs/dbraw/zinc/38/18/88/684381888.db2.gz SHDMWCAWRNTQRA-UTUOFQBUSA-N 1 2 351.369 2.038 20 30 FEEDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)NCc1ccc(C#N)c(Cl)c1 ZINC000875565778 686039711 /nfs/dbraw/zinc/03/97/11/686039711.db2.gz LTAXYSXOCKLVCP-HNNXBMFYSA-N 1 2 350.850 2.122 20 30 FEEDLO CC[C@H]1COCC[N@H+]1CCNC(=O)NCc1ccc(C#N)c(Cl)c1 ZINC000875565778 686039714 /nfs/dbraw/zinc/03/97/14/686039714.db2.gz LTAXYSXOCKLVCP-HNNXBMFYSA-N 1 2 350.850 2.122 20 30 FEEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC([C@H](F)C(N)=O)CC1 ZINC000879044284 686724046 /nfs/dbraw/zinc/72/40/46/686724046.db2.gz LBRATEGNOKGXLE-BONVTDFDSA-N 1 2 366.824 2.074 20 30 FEEDLO C=CCSc1ccccc1NC(=O)C[NH+]1CCC([C@@H](F)C(N)=O)CC1 ZINC000879047082 686725522 /nfs/dbraw/zinc/72/55/22/686725522.db2.gz KVRUSGYESYPLSM-QGZVFWFLSA-N 1 2 365.474 2.439 20 30 FEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC1(c2ccc(Br)cc2)CC1 ZINC000884096818 687788160 /nfs/dbraw/zinc/78/81/60/687788160.db2.gz JIJLAPPLECOQAP-ZDUSSCGKSA-N 1 2 367.243 2.001 20 30 FEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000884321138 687847390 /nfs/dbraw/zinc/84/73/90/687847390.db2.gz HJENLIHHWLASAQ-GWCFXTLKSA-N 1 2 360.332 2.209 20 30 FEEDLO Oc1c(F)cc(Br)cc1C=NNC1=[NH+][C@@H]2CCCC[C@H]2N1 ZINC000884443017 687872251 /nfs/dbraw/zinc/87/22/51/687872251.db2.gz XOGYDOAZGNDTKM-VXGBXAGGSA-N 1 2 355.211 2.488 20 30 FEEDLO C[C@]1(C#N)CN(C(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)CCO1 ZINC000895067020 689652508 /nfs/dbraw/zinc/65/25/08/689652508.db2.gz SJNFKAGQJMVRLF-KRWDZBQOSA-N 1 2 359.817 2.350 20 30 FEEDLO C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000898810087 690253776 /nfs/dbraw/zinc/25/37/76/690253776.db2.gz IEBCWSMVNIFSNE-NEPJUHHUSA-N 1 2 354.838 2.480 20 30 FEEDLO C/C(=C\C(=O)NCCSCc1ccccc1C#N)C[NH+]1CCOCC1 ZINC000899982426 690458387 /nfs/dbraw/zinc/45/83/87/690458387.db2.gz KLRSYIUABKZYJM-FOWTUZBSSA-N 1 2 359.495 2.186 20 30 FEEDLO C=CCOC(=O)[C@@H]([NH3+])Cc1nc(-c2cc(F)cc(C(F)(F)F)c2)no1 ZINC000904125597 691005098 /nfs/dbraw/zinc/00/50/98/691005098.db2.gz ZLAXGKZSUVAIBX-NSHDSACASA-N 1 2 359.279 2.494 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)nc1 ZINC000906804931 691318927 /nfs/dbraw/zinc/31/89/27/691318927.db2.gz VRWWHJCZLOHSRR-HNNXBMFYSA-N 1 2 360.439 2.052 20 30 FEEDLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2nc3c(cc2C#N)CCC3)CC1 ZINC001164918928 721818860 /nfs/dbraw/zinc/81/88/60/721818860.db2.gz XMORSOFZHJNWJX-UHFFFAOYSA-N 1 2 362.481 2.388 20 30 FEEDLO N#CCCN1CCN(c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)CC1 ZINC001165056411 722022320 /nfs/dbraw/zinc/02/23/20/722022320.db2.gz TUPXHCRWAFQNIR-UHFFFAOYSA-N 1 2 362.481 2.071 20 30 FEEDLO N#CCCN1CCN(c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)CC1 ZINC001165056411 722022322 /nfs/dbraw/zinc/02/23/22/722022322.db2.gz TUPXHCRWAFQNIR-UHFFFAOYSA-N 1 2 362.481 2.071 20 30 FEEDLO CC(=O)Nc1ccc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000015742245 539622451 /nfs/dbraw/zinc/62/24/51/539622451.db2.gz SJCGKJCUGLHZEC-UHFFFAOYSA-N 1 2 362.433 2.475 20 30 FEEDLO Cc1ccc(NC(=O)C[N@H+](C)C[C@@H](O)COc2ccc(C#N)cc2)cc1 ZINC000017740662 539643318 /nfs/dbraw/zinc/64/33/18/539643318.db2.gz YVHZCYXPHDYKOE-GOSISDBHSA-N 1 2 353.422 2.177 20 30 FEEDLO Cc1ccc(NC(=O)C[N@@H+](C)C[C@@H](O)COc2ccc(C#N)cc2)cc1 ZINC000017740662 539643321 /nfs/dbraw/zinc/64/33/21/539643321.db2.gz YVHZCYXPHDYKOE-GOSISDBHSA-N 1 2 353.422 2.177 20 30 FEEDLO CC[C@@H]1CCCCN1C(=O)CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000022778718 539698900 /nfs/dbraw/zinc/69/89/00/539698900.db2.gz LOUNAPLDKCLJFY-HXUWFJFHSA-N 1 2 354.498 2.467 20 30 FEEDLO CC[C@@H]1CCCCN1C(=O)C[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000022778718 539698903 /nfs/dbraw/zinc/69/89/03/539698903.db2.gz LOUNAPLDKCLJFY-HXUWFJFHSA-N 1 2 354.498 2.467 20 30 FEEDLO C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCN(c2cc(Cl)ccc2C)CC1 ZINC000024357323 539730254 /nfs/dbraw/zinc/73/02/54/539730254.db2.gz RTJANJZJBOQJOV-AWEZNQCLSA-N 1 2 364.877 2.171 20 30 FEEDLO C[C@@H]1C[N@@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C[C@H](C)O1 ZINC000025411988 539758365 /nfs/dbraw/zinc/75/83/65/539758365.db2.gz OPZCWFYYRTZFFU-OKILXGFUSA-N 1 2 354.372 2.282 20 30 FEEDLO C[C@@H]1C[N@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C[C@H](C)O1 ZINC000025411988 539758370 /nfs/dbraw/zinc/75/83/70/539758370.db2.gz OPZCWFYYRTZFFU-OKILXGFUSA-N 1 2 354.372 2.282 20 30 FEEDLO CSc1[nH]c(=O)c(C(=O)NC[C@H](c2cccs2)[NH+](C)C)cc1C#N ZINC000027606832 539812002 /nfs/dbraw/zinc/81/20/02/539812002.db2.gz SSOQTRSHXIEDKY-GFCCVEGCSA-N 1 2 362.480 2.475 20 30 FEEDLO COc1cccc(N2CC[NH+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC2)c1 ZINC000030963749 539894922 /nfs/dbraw/zinc/89/49/22/539894922.db2.gz WJZOJAKGFVRFOD-JXFKEZNVSA-N 1 2 358.486 2.260 20 30 FEEDLO C[C@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN(c3cccc(F)c3C#N)CC2)C1 ZINC000030967930 539895028 /nfs/dbraw/zinc/89/50/28/539895028.db2.gz CZSIYAKUMQSPRF-HOTGVXAUSA-N 1 2 358.461 2.324 20 30 FEEDLO N#CCOc1ccc(/C=C/C(=O)NCc2ccc(-n3cc[nH+]c3)nc2)cc1 ZINC000033042998 539965285 /nfs/dbraw/zinc/96/52/85/539965285.db2.gz NUMCGFHKIYWVNY-XBXARRHUSA-N 1 2 359.389 2.499 20 30 FEEDLO COc1cc2c(cc1OC)C[N@H+](CC(=O)NCC#Cc1ccccc1)CC2 ZINC000042293201 540057306 /nfs/dbraw/zinc/05/73/06/540057306.db2.gz JYXHCZCIFPMTOE-UHFFFAOYSA-N 1 2 364.445 2.230 20 30 FEEDLO COc1cc2c(cc1OC)C[N@@H+](CC(=O)NCC#Cc1ccccc1)CC2 ZINC000042293201 540057309 /nfs/dbraw/zinc/05/73/09/540057309.db2.gz JYXHCZCIFPMTOE-UHFFFAOYSA-N 1 2 364.445 2.230 20 30 FEEDLO Cc1oc(NC(=O)[C@H](C)[NH+]2CCC(C(=O)N3CCCC3)CC2)c(C#N)c1C ZINC000042566480 540066364 /nfs/dbraw/zinc/06/63/64/540066364.db2.gz GIOIPYNPBRCXOI-AWEZNQCLSA-N 1 2 372.469 2.430 20 30 FEEDLO Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000043508435 540102490 /nfs/dbraw/zinc/10/24/90/540102490.db2.gz MKDVMMQMVSBNQD-UHFFFAOYSA-N 1 2 366.469 2.090 20 30 FEEDLO N#Cc1ccnc(N2CC[NH+](CC(=O)NCc3cccc(Cl)c3)CC2)c1 ZINC000044714605 540137779 /nfs/dbraw/zinc/13/77/79/540137779.db2.gz YHOJJYJCWHTSHY-UHFFFAOYSA-N 1 2 369.856 2.045 20 30 FEEDLO Cc1c([C@@H](C)NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cnn1C ZINC000047007449 540284600 /nfs/dbraw/zinc/28/46/00/540284600.db2.gz NOLXDRDZTQXXEI-OAHLLOKOSA-N 1 2 366.469 2.189 20 30 FEEDLO Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1ccc[nH+]c1N(C)C ZINC000049727412 540392498 /nfs/dbraw/zinc/39/24/98/540392498.db2.gz XVSHYXUKMCLHIY-UHFFFAOYSA-N 1 2 363.425 2.250 20 30 FEEDLO C[C@@H](c1nnnn1-c1ccccc1)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000051621461 540439665 /nfs/dbraw/zinc/43/96/65/540439665.db2.gz BOOKFFAVWNZJMV-KRWDZBQOSA-N 1 2 373.464 2.413 20 30 FEEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CCCN(C(=O)c3ccsc3)CC2)c1 ZINC000054362366 540584976 /nfs/dbraw/zinc/58/49/76/540584976.db2.gz WSNNDCKJSCVKAZ-UHFFFAOYSA-N 1 2 368.462 2.406 20 30 FEEDLO N#Cc1cccc(NC(=O)C[N@H+]2CCCN(C(=O)c3ccsc3)CC2)c1 ZINC000054362366 540584979 /nfs/dbraw/zinc/58/49/79/540584979.db2.gz WSNNDCKJSCVKAZ-UHFFFAOYSA-N 1 2 368.462 2.406 20 30 FEEDLO COc1ccc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cn1 ZINC000054926924 540617995 /nfs/dbraw/zinc/61/79/95/540617995.db2.gz OENNIABGMXVQQF-UHFFFAOYSA-N 1 2 351.410 2.312 20 30 FEEDLO C[C@@H]1CCCCN1C(=O)CO[NH+]=C(N)c1ccc(N2CCCCC2)nc1 ZINC000058498632 540846218 /nfs/dbraw/zinc/84/62/18/540846218.db2.gz JXFIBRREMAPGCF-OAHLLOKOSA-N 1 2 359.474 2.110 20 30 FEEDLO C[C@@H]1C(=O)NCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000060377348 541108140 /nfs/dbraw/zinc/10/81/40/541108140.db2.gz DDKBHKCZSZJXGM-GFCCVEGCSA-N 1 2 360.483 2.038 20 30 FEEDLO C[C@@H]1C(=O)NCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000060377348 541108143 /nfs/dbraw/zinc/10/81/43/541108143.db2.gz DDKBHKCZSZJXGM-GFCCVEGCSA-N 1 2 360.483 2.038 20 30 FEEDLO C[C@H](C(=O)NCC1CCCCC1)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000060481686 541113853 /nfs/dbraw/zinc/11/38/53/541113853.db2.gz ZLIFMJGMRCCDJH-MRXNPFEDSA-N 1 2 355.486 2.160 20 30 FEEDLO Cc1ccc(C#N)cc1NC(=O)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000063824879 541187790 /nfs/dbraw/zinc/18/77/90/541187790.db2.gz JAFJYXWZKJIJQG-UHFFFAOYSA-N 1 2 373.416 2.366 20 30 FEEDLO Cc1noc(C)c1C[NH+]1CCN([C@@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000065681444 541252249 /nfs/dbraw/zinc/25/22/49/541252249.db2.gz VAMNMVZXRQFFLC-HNNXBMFYSA-N 1 2 367.453 2.308 20 30 FEEDLO Cc1ccc2[nH+]c(CNC(=O)c3ccc(-n4ncc(C#N)c4N)cc3)cn2c1 ZINC000066241095 541294660 /nfs/dbraw/zinc/29/46/60/541294660.db2.gz MBBARSVMRNTWDE-UHFFFAOYSA-N 1 2 371.404 2.212 20 30 FEEDLO N#Cc1ccccc1OCC[NH+]1CCN(C(=O)Cc2ccccc2F)CC1 ZINC000066867438 541384322 /nfs/dbraw/zinc/38/43/22/541384322.db2.gz WUISRHAURSXTQI-UHFFFAOYSA-N 1 2 367.424 2.463 20 30 FEEDLO CCS(=O)(=O)N(C)C1CC[NH+](Cc2cn3ccccc3c2C#N)CC1 ZINC000066879871 541386024 /nfs/dbraw/zinc/38/60/24/541386024.db2.gz XGQNVDYBZIQFTD-UHFFFAOYSA-N 1 2 360.483 2.057 20 30 FEEDLO C#CCC[NH+]1CCN(C(=O)c2nn(-c3ccccc3F)c3c2CCC3)CC1 ZINC000068444573 541593319 /nfs/dbraw/zinc/59/33/19/541593319.db2.gz IAUFMCGJEBSWMU-UHFFFAOYSA-N 1 2 366.440 2.281 20 30 FEEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCN(Cc2ccon2)CC1 ZINC000072722922 541857398 /nfs/dbraw/zinc/85/73/98/541857398.db2.gz VQZYJSDKXAGWPL-OHTSDLOESA-N 1 2 373.501 2.112 20 30 FEEDLO CCO[C@@H](C)c1noc(C[N@H+](C)CCC(=O)Nc2ccc(C#N)cc2)n1 ZINC000072762085 541861943 /nfs/dbraw/zinc/86/19/43/541861943.db2.gz DHMIBTJMEMNEBM-ZDUSSCGKSA-N 1 2 357.414 2.499 20 30 FEEDLO CCO[C@@H](C)c1noc(C[N@@H+](C)CCC(=O)Nc2ccc(C#N)cc2)n1 ZINC000072762085 541861946 /nfs/dbraw/zinc/86/19/46/541861946.db2.gz DHMIBTJMEMNEBM-ZDUSSCGKSA-N 1 2 357.414 2.499 20 30 FEEDLO CN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000073655188 541982196 /nfs/dbraw/zinc/98/21/96/541982196.db2.gz ZDMUUXLXNYINTO-UHFFFAOYSA-N 1 2 365.437 2.131 20 30 FEEDLO CO[C@@H]1CCCC[C@@H]1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000075098547 542151883 /nfs/dbraw/zinc/15/18/83/542151883.db2.gz YAESIGIJXQKZAH-RBUKOAKNSA-N 1 2 356.470 2.343 20 30 FEEDLO C=CCc1ccccc1OC[C@H](O)C[NH+]1CCN(C(=O)C(C)(C)C)CC1 ZINC000075673115 542196595 /nfs/dbraw/zinc/19/65/95/542196595.db2.gz YNLGIJQIFDQZDD-GOSISDBHSA-N 1 2 360.498 2.345 20 30 FEEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCCN(CC(F)(F)F)CC1 ZINC000076398642 542274254 /nfs/dbraw/zinc/27/42/54/542274254.db2.gz CDRPJUKZKHKBHW-CYBMUJFWSA-N 1 2 354.376 2.455 20 30 FEEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCCN(CC(F)(F)F)CC1 ZINC000076398642 542274258 /nfs/dbraw/zinc/27/42/58/542274258.db2.gz CDRPJUKZKHKBHW-CYBMUJFWSA-N 1 2 354.376 2.455 20 30 FEEDLO N#Cc1nnc2ccccc2c1NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000077489304 542388372 /nfs/dbraw/zinc/38/83/72/542388372.db2.gz AYPIVOXOUOSYNN-SFHVURJKSA-N 1 2 355.467 2.121 20 30 FEEDLO C=C(Cl)CNC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000077791990 542421387 /nfs/dbraw/zinc/42/13/87/542421387.db2.gz RVXOUQGMBNIVGE-UHFFFAOYSA-N 1 2 350.850 2.141 20 30 FEEDLO N#Cc1ccnc(SCC(=O)N2CC[NH+](Cc3cccs3)CC2)c1 ZINC000077905444 542430980 /nfs/dbraw/zinc/43/09/80/542430980.db2.gz FRJCELDZXLYGMS-UHFFFAOYSA-N 1 2 358.492 2.451 20 30 FEEDLO CC(C)(C)c1ccccc1NC(=O)CN(CCC#N)CC[NH+]1CCOCC1 ZINC000078686506 542476765 /nfs/dbraw/zinc/47/67/65/542476765.db2.gz UULFEGVSVPPIOG-UHFFFAOYSA-N 1 2 372.513 2.470 20 30 FEEDLO C[C@H](CCc1ccccc1F)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000079844615 542544923 /nfs/dbraw/zinc/54/49/23/542544923.db2.gz YNABTURKELBWPK-QGZVFWFLSA-N 1 2 361.461 2.469 20 30 FEEDLO C[C@H](C#N)Sc1nc2ccsc2c(=O)n1CCC[NH+]1CCOCC1 ZINC000079830638 542544502 /nfs/dbraw/zinc/54/45/02/542544502.db2.gz UBMCCSHAVJSZSL-GFCCVEGCSA-N 1 2 364.496 2.184 20 30 FEEDLO N#Cc1ccc(NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)c(F)c1 ZINC000080971231 542621357 /nfs/dbraw/zinc/62/13/57/542621357.db2.gz HCNBOZRSPUADRJ-UHFFFAOYSA-N 1 2 353.401 2.243 20 30 FEEDLO C[N@H+](CCCC(=O)OC(C)(C)C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000081513572 542661921 /nfs/dbraw/zinc/66/19/21/542661921.db2.gz YOGHIYDFBJSWND-UHFFFAOYSA-N 1 2 366.483 2.386 20 30 FEEDLO C[N@@H+](CCCC(=O)OC(C)(C)C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000081513572 542661926 /nfs/dbraw/zinc/66/19/26/542661926.db2.gz YOGHIYDFBJSWND-UHFFFAOYSA-N 1 2 366.483 2.386 20 30 FEEDLO CC(C)CNC(=O)c1cccc(CN(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000081515518 542662626 /nfs/dbraw/zinc/66/26/26/542662626.db2.gz JXODJFFQOITTKV-UHFFFAOYSA-N 1 2 372.513 2.120 20 30 FEEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1CCC(c2nc[nH]n2)CC1 ZINC000083445174 542697317 /nfs/dbraw/zinc/69/73/17/542697317.db2.gz IWALXEZUNJPVDR-AWEZNQCLSA-N 1 2 370.432 2.459 20 30 FEEDLO CC1(C)C[N@H+](CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)CCS1 ZINC000083419297 542697362 /nfs/dbraw/zinc/69/73/62/542697362.db2.gz MPLHOQGYHNOXFL-ZDUSSCGKSA-N 1 2 356.451 2.339 20 30 FEEDLO CC1(C)C[N@@H+](CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)CCS1 ZINC000083419297 542697363 /nfs/dbraw/zinc/69/73/63/542697363.db2.gz MPLHOQGYHNOXFL-ZDUSSCGKSA-N 1 2 356.451 2.339 20 30 FEEDLO C=CCOc1ccc(C[NH+]2CCN(Cc3noc(C)n3)CC2)cc1OC ZINC000093274150 542922978 /nfs/dbraw/zinc/92/29/78/542922978.db2.gz NFYWNNKZEVBNCI-UHFFFAOYSA-N 1 2 358.442 2.269 20 30 FEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000101567063 543034618 /nfs/dbraw/zinc/03/46/18/543034618.db2.gz IUIPAMZKRHCRJU-QGZVFWFLSA-N 1 2 372.469 2.201 20 30 FEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000101567063 543034619 /nfs/dbraw/zinc/03/46/19/543034619.db2.gz IUIPAMZKRHCRJU-QGZVFWFLSA-N 1 2 372.469 2.201 20 30 FEEDLO C#CCOc1cccc(NC(=O)N2CC[NH+](Cc3cccnc3)CC2)c1 ZINC000108516829 543292390 /nfs/dbraw/zinc/29/23/90/543292390.db2.gz GXIPWGZQTBCEDH-UHFFFAOYSA-N 1 2 350.422 2.443 20 30 FEEDLO CCOCC[NH+]1CCN(C(=O)c2cc(C3CC3)nc(SC)c2C#N)CC1 ZINC000110923960 543373929 /nfs/dbraw/zinc/37/39/29/543373929.db2.gz LPGOUVDCQMTBOC-UHFFFAOYSA-N 1 2 374.510 2.347 20 30 FEEDLO C=CCNC(=O)NC(=O)C[N@@H+](CCC)CC(=O)Nc1ccc(Cl)cc1 ZINC000112350166 543442824 /nfs/dbraw/zinc/44/28/24/543442824.db2.gz WWOWTERIZFNDCO-UHFFFAOYSA-N 1 2 366.849 2.002 20 30 FEEDLO C=CCNC(=O)NC(=O)C[N@H+](CCC)CC(=O)Nc1ccc(Cl)cc1 ZINC000112350166 543442826 /nfs/dbraw/zinc/44/28/26/543442826.db2.gz WWOWTERIZFNDCO-UHFFFAOYSA-N 1 2 366.849 2.002 20 30 FEEDLO COC(=O)[C@H]1CCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000112627923 543454767 /nfs/dbraw/zinc/45/47/67/543454767.db2.gz RUVQWOXBYNJUNW-CQSZACIVSA-N 1 2 361.467 2.465 20 30 FEEDLO COC(=O)[C@H]1CCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000112627923 543454769 /nfs/dbraw/zinc/45/47/69/543454769.db2.gz RUVQWOXBYNJUNW-CQSZACIVSA-N 1 2 361.467 2.465 20 30 FEEDLO N#Cc1ccc(OC[C@@H](O)CN2CC[NH+](Cc3ccsc3)CC2)cc1 ZINC000115300501 543558911 /nfs/dbraw/zinc/55/89/11/543558911.db2.gz HTRHRYCDAHVPRH-SFHVURJKSA-N 1 2 357.479 2.177 20 30 FEEDLO C[C@@H](c1cccnc1)[NH+]1CCN(CC(=O)NC2(C#N)CCCCC2)CC1 ZINC000120463456 543680232 /nfs/dbraw/zinc/68/02/32/543680232.db2.gz OPMQVXNMGORCGK-KRWDZBQOSA-N 1 2 355.486 2.103 20 30 FEEDLO C=CCOc1cccc(C[NH+]2CCN(CC(=O)Nc3cc(C)on3)CC2)c1 ZINC000123125480 543744205 /nfs/dbraw/zinc/74/42/05/543744205.db2.gz PCYKYWYJHXGVKL-UHFFFAOYSA-N 1 2 370.453 2.304 20 30 FEEDLO Cc1ccc(N2CC[NH+](CC(=O)N(CCC#N)CCC#N)CC2)cc1C ZINC000125913465 543908617 /nfs/dbraw/zinc/90/86/17/543908617.db2.gz MCHXFMVFQOEURE-UHFFFAOYSA-N 1 2 353.470 2.081 20 30 FEEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCCN(C(=O)c2ccccc2F)CC1 ZINC000126097209 543917838 /nfs/dbraw/zinc/91/78/38/543917838.db2.gz JRMXVUXBZAUTRC-UHFFFAOYSA-N 1 2 359.445 2.174 20 30 FEEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCCN(C(=O)c2ccccc2F)CC1 ZINC000126097209 543917839 /nfs/dbraw/zinc/91/78/39/543917839.db2.gz JRMXVUXBZAUTRC-UHFFFAOYSA-N 1 2 359.445 2.174 20 30 FEEDLO N#CCSc1ccccc1NC(=O)C[N@@H+](CCO)Cc1cccnc1 ZINC000129939644 544132480 /nfs/dbraw/zinc/13/24/80/544132480.db2.gz FZIWYSQJOXJNHJ-UHFFFAOYSA-N 1 2 356.451 2.130 20 30 FEEDLO N#CCSc1ccccc1NC(=O)C[N@H+](CCO)Cc1cccnc1 ZINC000129939644 544132483 /nfs/dbraw/zinc/13/24/83/544132483.db2.gz FZIWYSQJOXJNHJ-UHFFFAOYSA-N 1 2 356.451 2.130 20 30 FEEDLO Cc1ccc(C[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)c(O[C@H]2CCOC2)c1 ZINC000131009813 544173966 /nfs/dbraw/zinc/17/39/66/544173966.db2.gz JKIMAQOWMYAYEB-AZUAARDMSA-N 1 2 365.433 2.351 20 30 FEEDLO C=CCCOCC(=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000143225936 544420427 /nfs/dbraw/zinc/42/04/27/544420427.db2.gz AFOKRFWSDPCZNA-UHFFFAOYSA-N 1 2 352.862 2.456 20 30 FEEDLO N#Cc1ccc2[nH+]cc(CNc3ccc(C[C@H]4CC(=O)NC4=O)cc3)n2c1 ZINC000151659568 544566877 /nfs/dbraw/zinc/56/68/77/544566877.db2.gz MOBJNRQRXPMHFO-HNNXBMFYSA-N 1 2 359.389 2.023 20 30 FEEDLO C=CCn1c(SCC(=O)N2CC[NH+](C)CC2)nnc1-c1ccc(C)cc1 ZINC000154670075 544935096 /nfs/dbraw/zinc/93/50/96/544935096.db2.gz VBMKXKJMWVMTLP-UHFFFAOYSA-N 1 2 371.510 2.306 20 30 FEEDLO COc1ccccc1NC(=O)CN1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC000180085448 327670532 /nfs/dbraw/zinc/67/05/32/327670532.db2.gz RXDRTEZIXIWJMK-UHFFFAOYSA-N 1 2 370.478 2.385 20 30 FEEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000184771480 327882851 /nfs/dbraw/zinc/88/28/51/327882851.db2.gz WYQHOXFTVYQNNB-CQSZACIVSA-N 1 2 368.462 2.464 20 30 FEEDLO COCCO[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000189651263 328159971 /nfs/dbraw/zinc/15/99/71/328159971.db2.gz GJQXSNRMHYPUDC-STQMWFEESA-N 1 2 363.483 2.173 20 30 FEEDLO COCCO[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000189651263 328159972 /nfs/dbraw/zinc/15/99/72/328159972.db2.gz GJQXSNRMHYPUDC-STQMWFEESA-N 1 2 363.483 2.173 20 30 FEEDLO CCOc1ccc(C[NH+]2CCN(C(=O)c3ccnc(C#N)c3)CC2)cc1 ZINC000192454588 328319866 /nfs/dbraw/zinc/31/98/66/328319866.db2.gz ZKLCCJGANGUWDQ-UHFFFAOYSA-N 1 2 350.422 2.310 20 30 FEEDLO CCOc1ccc(C#N)cc1NC(=O)C(=O)NCc1[nH+]ccn1CC(C)C ZINC000076375453 324939723 /nfs/dbraw/zinc/93/97/23/324939723.db2.gz CJGWSRTWPAPLQE-UHFFFAOYSA-N 1 2 369.425 2.064 20 30 FEEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[NH+]1CCC(OC[C@H]2CCCO2)CC1 ZINC000083407217 325217569 /nfs/dbraw/zinc/21/75/69/325217569.db2.gz MFWKCACVCAPRBD-RTBURBONSA-N 1 2 358.438 2.432 20 30 FEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[NH+]1CCC(OC[C@H]2CCCO2)CC1 ZINC000083407220 325217604 /nfs/dbraw/zinc/21/76/04/325217604.db2.gz MFWKCACVCAPRBD-MOPGFXCFSA-N 1 2 358.438 2.432 20 30 FEEDLO N#Cc1ccc([C@@H]([NH2+][C@H]2CCCN(c3ccccc3F)C2=O)C(N)=O)cc1 ZINC000090069684 325353179 /nfs/dbraw/zinc/35/31/79/325353179.db2.gz GOTQUGZFMYNYIR-FUHWJXTLSA-N 1 2 366.396 2.009 20 30 FEEDLO Cc1nn(C)cc1C[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000119627018 326182603 /nfs/dbraw/zinc/18/26/03/326182603.db2.gz FNVLPZOCMLJADP-UHFFFAOYSA-N 1 2 352.398 2.170 20 30 FEEDLO N#Cc1ccc2[nH+]cc(CNc3ccc(N4CCCS4(=O)=O)cc3)n2c1 ZINC000172338941 327196688 /nfs/dbraw/zinc/19/66/88/327196688.db2.gz OSZWTKANWRVRJC-UHFFFAOYSA-N 1 2 367.434 2.358 20 30 FEEDLO N#Cc1ccccc1OCC[NH+]1CCN(C(=O)c2cccc(O)c2)CC1 ZINC000174672288 327342839 /nfs/dbraw/zinc/34/28/39/327342839.db2.gz XOAJZLOCCCAUGT-UHFFFAOYSA-N 1 2 351.406 2.101 20 30 FEEDLO Cc1cnc(N2CC[NH+]([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)CC2)s1 ZINC000265464688 329129637 /nfs/dbraw/zinc/12/96/37/329129637.db2.gz YKDYXQBGFKXDKH-QGZVFWFLSA-N 1 2 367.478 2.251 20 30 FEEDLO COC(=O)[C@@H](c1ccccc1)[N@H+](C)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000265488163 329132168 /nfs/dbraw/zinc/13/21/68/329132168.db2.gz JPFFHBGOMOXECW-IEBWSBKVSA-N 1 2 354.406 2.144 20 30 FEEDLO COC(=O)[C@@H](c1ccccc1)[N@@H+](C)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000265488163 329132170 /nfs/dbraw/zinc/13/21/70/329132170.db2.gz JPFFHBGOMOXECW-IEBWSBKVSA-N 1 2 354.406 2.144 20 30 FEEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+]2CC[C@@](C)(O)C2)c1C#N ZINC000267393547 329322193 /nfs/dbraw/zinc/32/21/93/329322193.db2.gz XLXIAFLVQHVTBH-OAQYLSRUSA-N 1 2 366.465 2.420 20 30 FEEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+]2CC[C@@](C)(O)C2)c1C#N ZINC000267393547 329322195 /nfs/dbraw/zinc/32/21/95/329322195.db2.gz XLXIAFLVQHVTBH-OAQYLSRUSA-N 1 2 366.465 2.420 20 30 FEEDLO CCOC(=O)CC1CC[NH+]([C@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000267558708 329338222 /nfs/dbraw/zinc/33/82/22/329338222.db2.gz GRKHNICURKZHHO-HNNXBMFYSA-N 1 2 361.467 2.390 20 30 FEEDLO Cc1nc(N2CCN(C(=O)N[C@@H](C)c3ccc(C#N)cc3)CC2)cc[nH+]1 ZINC000273762140 329889619 /nfs/dbraw/zinc/88/96/19/329889619.db2.gz UYNQVFPUWCUFIR-AWEZNQCLSA-N 1 2 350.426 2.250 20 30 FEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H]1C[C@@H](O)c1cnn(C)c1 ZINC000371460097 330244598 /nfs/dbraw/zinc/24/45/98/330244598.db2.gz QMTRNLBCPGELTD-QRVBRYPASA-N 1 2 368.437 2.094 20 30 FEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H]1C[C@@H](O)c1cnn(C)c1 ZINC000371460097 330244600 /nfs/dbraw/zinc/24/46/00/330244600.db2.gz QMTRNLBCPGELTD-QRVBRYPASA-N 1 2 368.437 2.094 20 30 FEEDLO N#Cc1cc(C(=O)N2CC[C@@H](Oc3ccc[nH+]c3N3CCCC3)C2)c[nH]1 ZINC000275512774 526542743 /nfs/dbraw/zinc/54/27/43/526542743.db2.gz DGSPNZJYQGPUMJ-MRXNPFEDSA-N 1 2 351.410 2.175 20 30 FEEDLO C=C[C@H](CC(=O)NCC[NH+]1CCN(c2ncccn2)CC1)c1ccccc1 ZINC000155501205 545534205 /nfs/dbraw/zinc/53/42/05/545534205.db2.gz OIRVGYAHMGVSSM-GOSISDBHSA-N 1 2 365.481 2.075 20 30 FEEDLO C[C@H]1CN(c2nccnc2C#N)CCN1Cc1[nH+]ccn1Cc1ccccc1 ZINC000155638230 545552405 /nfs/dbraw/zinc/55/24/05/545552405.db2.gz BEWVUWJRJJKHMM-KRWDZBQOSA-N 1 2 373.464 2.304 20 30 FEEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000155814761 545572376 /nfs/dbraw/zinc/57/23/76/545572376.db2.gz DGWWCJMYGTVOPR-AWEZNQCLSA-N 1 2 366.450 2.481 20 30 FEEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000155814761 545572378 /nfs/dbraw/zinc/57/23/78/545572378.db2.gz DGWWCJMYGTVOPR-AWEZNQCLSA-N 1 2 366.450 2.481 20 30 FEEDLO Cc1nc(NCC[NH+]2CCN(C(=O)C3CCCCC3)CC2)ccc1C#N ZINC000488065260 538703302 /nfs/dbraw/zinc/70/33/02/538703302.db2.gz CUZZYNCGVJBWKF-UHFFFAOYSA-N 1 2 355.486 2.398 20 30 FEEDLO N#Cc1ccc(NCC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)nc1 ZINC000497648401 538776574 /nfs/dbraw/zinc/77/65/74/538776574.db2.gz DEMCWLOCTSMERW-UHFFFAOYSA-N 1 2 350.426 2.067 20 30 FEEDLO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N([C@@H]2[C@H]3CCO[C@@H]3C2(C)C)CC1=O ZINC000157849641 545792182 /nfs/dbraw/zinc/79/21/82/545792182.db2.gz FDXLWGDKQMMADO-PJSAGSTRSA-N 1 2 366.465 2.460 20 30 FEEDLO C[C@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN(Cc3cc(F)ccc3C#N)CC2)C1 ZINC000158272058 545842927 /nfs/dbraw/zinc/84/29/27/545842927.db2.gz FDHVZCCYUDQMIF-IRXDYDNUSA-N 1 2 372.488 2.319 20 30 FEEDLO Cc1nc(C[N@@H+]2CCCN(C(=O)CNc3cccc(C#N)c3)CC2)cs1 ZINC000158718543 545888613 /nfs/dbraw/zinc/88/86/13/545888613.db2.gz OHDDAILDNVIOKO-UHFFFAOYSA-N 1 2 369.494 2.470 20 30 FEEDLO Cc1nc(C[N@H+]2CCCN(C(=O)CNc3cccc(C#N)c3)CC2)cs1 ZINC000158718543 545888619 /nfs/dbraw/zinc/88/86/19/545888619.db2.gz OHDDAILDNVIOKO-UHFFFAOYSA-N 1 2 369.494 2.470 20 30 FEEDLO C=CCn1cccc1C(=O)N1CCC[C@@H]([N@H+](C)Cc2noc(C)n2)CC1 ZINC000478368398 561165145 /nfs/dbraw/zinc/16/51/45/561165145.db2.gz ZRRXMKSLTHBOGQ-MRXNPFEDSA-N 1 2 357.458 2.492 20 30 FEEDLO C=CCn1cccc1C(=O)N1CCC[C@@H]([N@@H+](C)Cc2noc(C)n2)CC1 ZINC000478368398 561165146 /nfs/dbraw/zinc/16/51/46/561165146.db2.gz ZRRXMKSLTHBOGQ-MRXNPFEDSA-N 1 2 357.458 2.492 20 30 FEEDLO COc1cccc(OCC[NH+]2CCN(C(=O)c3cscc3C#N)CC2)c1 ZINC000478795770 561175076 /nfs/dbraw/zinc/17/50/76/561175076.db2.gz MONAKVUCKCWCQB-UHFFFAOYSA-N 1 2 371.462 2.465 20 30 FEEDLO C=C[C@@H](CC(=O)N1CC[C@@H](OCC[NH+]2CCOCC2)C1)c1ccccc1 ZINC000478872659 561176587 /nfs/dbraw/zinc/17/65/87/561176587.db2.gz KPFYBISZFUPJDO-AZUAARDMSA-N 1 2 358.482 2.296 20 30 FEEDLO C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(NC(=O)c2ccoc2)CC1 ZINC000166387420 546155565 /nfs/dbraw/zinc/15/55/65/546155565.db2.gz OVMUEPRIAWVKTL-CQSZACIVSA-N 1 2 366.421 2.373 20 30 FEEDLO CCOc1ccc(C[NH+]2CCN(C(=O)C3(C#N)CCOCC3)CC2)cc1 ZINC000171762351 546224599 /nfs/dbraw/zinc/22/45/99/546224599.db2.gz ZWPOQDQOYABHGH-UHFFFAOYSA-N 1 2 357.454 2.050 20 30 FEEDLO CCO[C@H]1C[C@@H]([N@H+](C)CCS(=O)(=O)c2ccc(C#N)cc2)C1(C)C ZINC000176260475 546425362 /nfs/dbraw/zinc/42/53/62/546425362.db2.gz RDGKUCJNEODQQN-SJORKVTESA-N 1 2 350.484 2.467 20 30 FEEDLO CCO[C@H]1C[C@@H]([N@@H+](C)CCS(=O)(=O)c2ccc(C#N)cc2)C1(C)C ZINC000176260475 546425365 /nfs/dbraw/zinc/42/53/65/546425365.db2.gz RDGKUCJNEODQQN-SJORKVTESA-N 1 2 350.484 2.467 20 30 FEEDLO CCO[C@@H](C)c1nc(CN(CCC#N)CC[NH+]2CCOCC2)cs1 ZINC000176265305 546425701 /nfs/dbraw/zinc/42/57/01/546425701.db2.gz UCVCOHQRYDSXDJ-HNNXBMFYSA-N 1 2 352.504 2.288 20 30 FEEDLO Cn1c(C[N@H+](C)C[C@@H](O)COc2ccc(C#N)cc2)nc2ccccc21 ZINC000177194361 546567575 /nfs/dbraw/zinc/56/75/75/546567575.db2.gz QPSYDFSBEYPKOZ-MRXNPFEDSA-N 1 2 350.422 2.317 20 30 FEEDLO Cn1c(C[N@@H+](C)C[C@@H](O)COc2ccc(C#N)cc2)nc2ccccc21 ZINC000177194361 546567579 /nfs/dbraw/zinc/56/75/79/546567579.db2.gz QPSYDFSBEYPKOZ-MRXNPFEDSA-N 1 2 350.422 2.317 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Nc1ccccc1N1CCCC1 ZINC000177512270 546633467 /nfs/dbraw/zinc/63/34/67/546633467.db2.gz ITORFMRMAKDFKX-UHFFFAOYSA-N 1 2 371.485 2.367 20 30 FEEDLO Cc1cc(C)n(Cc2cccc(C(N)=[NH+]O[C@@H]3CCN(C(C)C)C3=O)c2)n1 ZINC000177573394 546646621 /nfs/dbraw/zinc/64/66/21/546646621.db2.gz TWHCWHPUTWFZNL-GOSISDBHSA-N 1 2 369.469 2.194 20 30 FEEDLO CC(=O)N[C@H](C)C1CC[NH+](CC(=O)Nc2ccccc2SCC#N)CC1 ZINC000481156186 561226673 /nfs/dbraw/zinc/22/66/73/561226673.db2.gz LQDFSMOBKDIFIF-CQSZACIVSA-N 1 2 374.510 2.477 20 30 FEEDLO CCCCCCNC(=O)CO[NH+]=C(N)c1ccc(-n2nc(C)cc2C)nc1 ZINC000178157722 546749102 /nfs/dbraw/zinc/74/91/02/546749102.db2.gz NNPASIBABCZYGA-UHFFFAOYSA-N 1 2 372.473 2.218 20 30 FEEDLO C[N@@H+]1CCN(CCS(=O)(=O)c2ccc(C#N)cc2)C2(CCCCC2)C1 ZINC000178400148 546787628 /nfs/dbraw/zinc/78/76/28/546787628.db2.gz RCGCKBDMUOIJAW-UHFFFAOYSA-N 1 2 361.511 2.282 20 30 FEEDLO C[N@H+]1CCN(CCS(=O)(=O)c2ccc(C#N)cc2)C2(CCCCC2)C1 ZINC000178400148 546787633 /nfs/dbraw/zinc/78/76/33/546787633.db2.gz RCGCKBDMUOIJAW-UHFFFAOYSA-N 1 2 361.511 2.282 20 30 FEEDLO CN1CC[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C2(CCCCC2)C1 ZINC000178400148 546787637 /nfs/dbraw/zinc/78/76/37/546787637.db2.gz RCGCKBDMUOIJAW-UHFFFAOYSA-N 1 2 361.511 2.282 20 30 FEEDLO CN1CC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C2(CCCCC2)C1 ZINC000178400148 546787643 /nfs/dbraw/zinc/78/76/43/546787643.db2.gz RCGCKBDMUOIJAW-UHFFFAOYSA-N 1 2 361.511 2.282 20 30 FEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN(Cc2nc3ccccc3[nH]2)CC1 ZINC000180995441 547227615 /nfs/dbraw/zinc/22/76/15/547227615.db2.gz LOGBDDCUFHVWFW-QGZVFWFLSA-N 1 2 367.497 2.270 20 30 FEEDLO N#Cc1ccc(CN2CC[C@H]([NH+]3CCOCC3)C2)c(Br)c1 ZINC000181120983 547254430 /nfs/dbraw/zinc/25/44/30/547254430.db2.gz VUIDMZRWPKMZPK-HNNXBMFYSA-N 1 2 350.260 2.227 20 30 FEEDLO C=CCNC(=O)CNC(=O)N1CC[NH+]([C@@H](C)c2ccccc2Cl)CC1 ZINC000181151115 547259162 /nfs/dbraw/zinc/25/91/62/547259162.db2.gz PEXSKPBEXWADMD-AWEZNQCLSA-N 1 2 364.877 2.030 20 30 FEEDLO Cc1ccccc1O[C@@H](C)C(=O)N1CC[NH+](Cc2cc(C#N)n(C)c2)CC1 ZINC000483284670 561272881 /nfs/dbraw/zinc/27/28/81/561272881.db2.gz ICODBPXPTUVILL-KRWDZBQOSA-N 1 2 366.465 2.317 20 30 FEEDLO COCC[N@H+](Cc1cn(Cc2cccnc2)nn1)Cc1ccc(C#N)cc1 ZINC000183000471 547586771 /nfs/dbraw/zinc/58/67/71/547586771.db2.gz GWVPQWMGCOWIAE-UHFFFAOYSA-N 1 2 362.437 2.242 20 30 FEEDLO COCC[N@@H+](Cc1cn(Cc2cccnc2)nn1)Cc1ccc(C#N)cc1 ZINC000183000471 547586776 /nfs/dbraw/zinc/58/67/76/547586776.db2.gz GWVPQWMGCOWIAE-UHFFFAOYSA-N 1 2 362.437 2.242 20 30 FEEDLO N#Cc1ccc(Cl)c(S(=O)(=O)N2CCC(n3cc[nH+]c3)CC2)c1 ZINC000184280213 547799490 /nfs/dbraw/zinc/79/94/90/547799490.db2.gz QBBJSXIJEDYLBP-UHFFFAOYSA-N 1 2 350.831 2.434 20 30 FEEDLO C[C@H]([NH2+]CC(=O)N[C@@](C)(C#N)C1CC1)c1nc(-c2cccc(F)c2)no1 ZINC000185079054 547928846 /nfs/dbraw/zinc/92/88/46/547928846.db2.gz CDOOZXWBHJHDKL-VOJFVSQTSA-N 1 2 357.389 2.335 20 30 FEEDLO C=CC[C@@H](CO)NC(=O)C1CCN(c2ccc3cccc(O)c3[nH+]2)CC1 ZINC000185763037 548031914 /nfs/dbraw/zinc/03/19/14/548031914.db2.gz NAJAQTMXBVVMCL-INIZCTEOSA-N 1 2 355.438 2.210 20 30 FEEDLO Cc1sc(NC(=O)C[NH+]2CCC(Cn3cncn3)CC2)c(C#N)c1C ZINC000186210769 548100368 /nfs/dbraw/zinc/10/03/68/548100368.db2.gz MFKIPSHMMYRVCD-UHFFFAOYSA-N 1 2 358.471 2.179 20 30 FEEDLO C[C@@](C#N)(NC(=O)C[NH+]1CCC(O)(c2c(F)cccc2F)CC1)C1CC1 ZINC000186493777 548143537 /nfs/dbraw/zinc/14/35/37/548143537.db2.gz VOHMOEMIAOILGT-SFHVURJKSA-N 1 2 363.408 2.057 20 30 FEEDLO COc1ccc(C#N)cc1NC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C ZINC000486002004 561334830 /nfs/dbraw/zinc/33/48/30/561334830.db2.gz IIEXOWGVAQPLIM-MRXNPFEDSA-N 1 2 369.425 2.002 20 30 FEEDLO COc1ccc(C#N)cc1NC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C ZINC000486002004 561334831 /nfs/dbraw/zinc/33/48/31/561334831.db2.gz IIEXOWGVAQPLIM-MRXNPFEDSA-N 1 2 369.425 2.002 20 30 FEEDLO Cc1nc(NC(=O)[C@H](c2c[nH+]cn2C)N(C)C)sc1SCC#N ZINC000486128348 561338810 /nfs/dbraw/zinc/33/88/10/561338810.db2.gz NJDQCIIWRWHCCT-NSHDSACASA-N 1 2 350.473 2.042 20 30 FEEDLO C=CC[C@H](C(=O)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1)c1ccccc1 ZINC000187645106 548261434 /nfs/dbraw/zinc/26/14/34/548261434.db2.gz HDYDQPHDDOQZJI-APWZRJJASA-N 1 2 355.482 2.158 20 30 FEEDLO C=C[C@](C)(CC)C(=O)Nc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1 ZINC000191813341 548351329 /nfs/dbraw/zinc/35/13/29/548351329.db2.gz HUANIBGRNNHTKH-GOSISDBHSA-N 1 2 365.499 2.164 20 30 FEEDLO C[C@@H]1CCC[C@@H](NC(=O)C[NH+]2CCN(CC#Cc3ccccc3)CC2)C1 ZINC000192103087 548359016 /nfs/dbraw/zinc/35/90/16/548359016.db2.gz IJDGRYUSPJZRSI-TZIWHRDSSA-N 1 2 353.510 2.351 20 30 FEEDLO C[C@@H]1CCC[C@@H](NC(=O)CN2CC[NH+](CC#Cc3ccccc3)CC2)C1 ZINC000192103087 548359021 /nfs/dbraw/zinc/35/90/21/548359021.db2.gz IJDGRYUSPJZRSI-TZIWHRDSSA-N 1 2 353.510 2.351 20 30 FEEDLO C#CC[N@@H+](C)CC(=O)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1 ZINC000192222165 548361467 /nfs/dbraw/zinc/36/14/67/548361467.db2.gz VHPFKCQIISHEFR-UHFFFAOYSA-N 1 2 358.829 2.446 20 30 FEEDLO C#CC[N@H+](C)CC(=O)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1 ZINC000192222165 548361473 /nfs/dbraw/zinc/36/14/73/548361473.db2.gz VHPFKCQIISHEFR-UHFFFAOYSA-N 1 2 358.829 2.446 20 30 FEEDLO CCOc1cccc(/C=N/CC2([NH+]3CCOCC3)CC(OCC)C2)c1O ZINC000193738531 548395682 /nfs/dbraw/zinc/39/56/82/548395682.db2.gz VDYDJXCGESUBLV-KGENOOAVSA-N 1 2 362.470 2.480 20 30 FEEDLO N#Cc1ccc(C(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)s1 ZINC000486684066 561354278 /nfs/dbraw/zinc/35/42/78/561354278.db2.gz RCTKQTPPOVZABY-UHFFFAOYSA-N 1 2 361.389 2.347 20 30 FEEDLO C=CCNC(=O)C[NH+]1CCN(c2cc(C)nc3c(F)c(F)ccc23)CC1 ZINC000486789070 561356652 /nfs/dbraw/zinc/35/66/52/561356652.db2.gz SBRKRDMGWHYQIS-UHFFFAOYSA-N 1 2 360.408 2.246 20 30 FEEDLO Cc1nc(N2CC[NH+]([C@H]3CCN(c4ccccc4)C3=O)CC2)ccc1C#N ZINC000487759608 561375147 /nfs/dbraw/zinc/37/51/47/561375147.db2.gz TWVYGDROAVGKGQ-IBGZPJMESA-N 1 2 361.449 2.189 20 30 FEEDLO CC[N@H+](CC(=O)Nc1cccc(OC)c1)[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000488725826 561395354 /nfs/dbraw/zinc/39/53/54/561395354.db2.gz NENNQQRLTKLFMV-QRWLVFNGSA-N 1 2 374.485 2.399 20 30 FEEDLO CC[N@@H+](CC(=O)Nc1cccc(OC)c1)[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000488725826 561395355 /nfs/dbraw/zinc/39/53/55/561395355.db2.gz NENNQQRLTKLFMV-QRWLVFNGSA-N 1 2 374.485 2.399 20 30 FEEDLO CC[N@H+](CCCNS(=O)(=O)c1cnc(C)c(C#N)c1)c1ccccc1 ZINC000489044498 561402123 /nfs/dbraw/zinc/40/21/23/561402123.db2.gz PITRKBFNIOBWLC-UHFFFAOYSA-N 1 2 358.467 2.457 20 30 FEEDLO CC[N@@H+](CCCNS(=O)(=O)c1cnc(C)c(C#N)c1)c1ccccc1 ZINC000489044498 561402124 /nfs/dbraw/zinc/40/21/24/561402124.db2.gz PITRKBFNIOBWLC-UHFFFAOYSA-N 1 2 358.467 2.457 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)NCc2ccccc2Cn2cc[nH+]c2)cc1F ZINC000489119869 561403729 /nfs/dbraw/zinc/40/37/29/561403729.db2.gz YTPNFKFOKSNHLK-UHFFFAOYSA-N 1 2 370.409 2.421 20 30 FEEDLO C=C[C@H]1CCCC[N@H+]1CC(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1 ZINC000489500700 561413014 /nfs/dbraw/zinc/41/30/14/561413014.db2.gz QONICCXWLCNNOV-INIZCTEOSA-N 1 2 360.410 2.239 20 30 FEEDLO C=C[C@H]1CCCC[N@@H+]1CC(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1 ZINC000489500700 561413015 /nfs/dbraw/zinc/41/30/15/561413015.db2.gz QONICCXWLCNNOV-INIZCTEOSA-N 1 2 360.410 2.239 20 30 FEEDLO COCC[N@H+](CC(=O)Nc1sc(C)c(C)c1C#N)[C@H]1CCO[C@@H]1C ZINC000489514046 561413260 /nfs/dbraw/zinc/41/32/60/561413260.db2.gz PZJJJDACVCJULI-DOMZBBRYSA-N 1 2 351.472 2.301 20 30 FEEDLO COCC[N@@H+](CC(=O)Nc1sc(C)c(C)c1C#N)[C@H]1CCO[C@@H]1C ZINC000489514046 561413261 /nfs/dbraw/zinc/41/32/61/561413261.db2.gz PZJJJDACVCJULI-DOMZBBRYSA-N 1 2 351.472 2.301 20 30 FEEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CC[C@H](O)[C@@H](C)C2)c1C#N ZINC000249554243 549604451 /nfs/dbraw/zinc/60/44/51/549604451.db2.gz JDXNJHQBOLNOLR-UGSOOPFHSA-N 1 2 370.453 2.259 20 30 FEEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CC[C@H](O)[C@@H](C)C2)c1C#N ZINC000249554243 549604456 /nfs/dbraw/zinc/60/44/56/549604456.db2.gz JDXNJHQBOLNOLR-UGSOOPFHSA-N 1 2 370.453 2.259 20 30 FEEDLO C[C@H]1CC[N@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)[C@@H](C(N)=O)C1 ZINC000249581643 549607767 /nfs/dbraw/zinc/60/77/67/549607767.db2.gz RHQDMAFMNZPANL-XJKSGUPXSA-N 1 2 362.861 2.172 20 30 FEEDLO C[C@H]1CC[N@@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)[C@@H](C(N)=O)C1 ZINC000249581643 549607771 /nfs/dbraw/zinc/60/77/71/549607771.db2.gz RHQDMAFMNZPANL-XJKSGUPXSA-N 1 2 362.861 2.172 20 30 FEEDLO CN1c2ccccc2N(C)C1=C1C(=O)CN([C@@H]2C[C@H]3OCCC[C@H]32)C1=[NH2+] ZINC000249959215 549635738 /nfs/dbraw/zinc/63/57/38/549635738.db2.gz WFNUFLRHFZRAJQ-XGWLTEMNSA-N 1 2 352.438 2.214 20 30 FEEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000264162503 549987005 /nfs/dbraw/zinc/98/70/05/549987005.db2.gz WRAATOUEVIJPSR-HNNXBMFYSA-N 1 2 353.426 2.396 20 30 FEEDLO N#CCOc1ccc(CC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000264758311 550000842 /nfs/dbraw/zinc/00/08/42/550000842.db2.gz NEZMXKPQLCJAFQ-UHFFFAOYSA-N 1 2 374.444 2.348 20 30 FEEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H]2C(=O)NC2CC2)c1C ZINC000265053946 550005319 /nfs/dbraw/zinc/00/53/19/550005319.db2.gz XGZVECXDXFEKGQ-LJQANCHMSA-N 1 2 368.481 2.293 20 30 FEEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H]2C(=O)NC2CC2)c1C ZINC000265053946 550005322 /nfs/dbraw/zinc/00/53/22/550005322.db2.gz XGZVECXDXFEKGQ-LJQANCHMSA-N 1 2 368.481 2.293 20 30 FEEDLO N#CC1(C(=O)N2CCN(Cc3cn4cc(Cl)ccc4[nH+]3)CC2)CCC1 ZINC000265435597 550010292 /nfs/dbraw/zinc/01/02/92/550010292.db2.gz IAHYXMFGIZRKAK-UHFFFAOYSA-N 1 2 357.845 2.326 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+](C)[C@H]2CCN(C)C2=O)c1 ZINC000265658811 550013210 /nfs/dbraw/zinc/01/32/10/550013210.db2.gz RLRBWWMRIKKPKO-AEFFLSMTSA-N 1 2 356.470 2.101 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)[C@H]2CCN(C)C2=O)c1 ZINC000265658811 550013213 /nfs/dbraw/zinc/01/32/13/550013213.db2.gz RLRBWWMRIKKPKO-AEFFLSMTSA-N 1 2 356.470 2.101 20 30 FEEDLO CC(C)CO[C@@H](C)C(N)=[NH+]O[C@@H](C)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000266227413 550018252 /nfs/dbraw/zinc/01/82/52/550018252.db2.gz SXWCZRVFFZCDMH-STQMWFEESA-N 1 2 365.430 2.135 20 30 FEEDLO Cc1nc(CC(N)=[NH+]O[C@H](C)C(=O)N(C)Cc2cccc(F)c2)cs1 ZINC000267041718 550027151 /nfs/dbraw/zinc/02/71/51/550027151.db2.gz ZIVNMBNQILFUAQ-LLVKDONJSA-N 1 2 364.446 2.469 20 30 FEEDLO CCOC(=O)C1(O)CC[NH+](CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000267358311 550030021 /nfs/dbraw/zinc/03/00/21/550030021.db2.gz HMIUMFNFULAPLD-UHFFFAOYSA-N 1 2 355.356 2.447 20 30 FEEDLO N#CCCN(CCC#N)C(=O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000269115520 550157099 /nfs/dbraw/zinc/15/70/99/550157099.db2.gz ZKRRBZHFBVDEJR-UHFFFAOYSA-N 1 2 355.398 2.215 20 30 FEEDLO N#CCCN(CCC#N)C(=O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000269115520 550157102 /nfs/dbraw/zinc/15/71/02/550157102.db2.gz ZKRRBZHFBVDEJR-UHFFFAOYSA-N 1 2 355.398 2.215 20 30 FEEDLO C=CCC[C@@H](NC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1)c1ccccc1 ZINC000269421944 550193773 /nfs/dbraw/zinc/19/37/73/550193773.db2.gz DLZWYDCVKDWXQD-QGZVFWFLSA-N 1 2 358.486 2.285 20 30 FEEDLO COc1cc(C)nc(CO[NH+]=C(N)c2ccc(-n3nc(C)cc3C)nc2)c1 ZINC000270413602 550270315 /nfs/dbraw/zinc/27/03/15/550270315.db2.gz OOPZKOSBSLKBRI-UHFFFAOYSA-N 1 2 366.425 2.433 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)/C=C/c1ccc2[nH]ccc2c1 ZINC000270790228 550307079 /nfs/dbraw/zinc/30/70/79/550307079.db2.gz GOFNKCFVFBHDLF-HWKANZROSA-N 1 2 352.438 2.256 20 30 FEEDLO CC(=O)N1CC[N@H+](CC(=O)NCc2ccc(C#N)cc2)CC12CCCCC2 ZINC000270854880 550314275 /nfs/dbraw/zinc/31/42/75/550314275.db2.gz IXGHHCLCPGTCKR-UHFFFAOYSA-N 1 2 368.481 2.041 20 30 FEEDLO CC(=O)N1CC[N@@H+](CC(=O)NCc2ccc(C#N)cc2)CC12CCCCC2 ZINC000270854880 550314276 /nfs/dbraw/zinc/31/42/76/550314276.db2.gz IXGHHCLCPGTCKR-UHFFFAOYSA-N 1 2 368.481 2.041 20 30 FEEDLO Cc1cc(NC(=O)N2CCC[N@H+](Cc3cscn3)CC2)nn1CCC#N ZINC000272135350 550424936 /nfs/dbraw/zinc/42/49/36/550424936.db2.gz VQKZJLFSEHHXTJ-UHFFFAOYSA-N 1 2 373.486 2.302 20 30 FEEDLO Cc1cc(NC(=O)N2CCC[N@@H+](Cc3cscn3)CC2)nn1CCC#N ZINC000272135350 550424939 /nfs/dbraw/zinc/42/49/39/550424939.db2.gz VQKZJLFSEHHXTJ-UHFFFAOYSA-N 1 2 373.486 2.302 20 30 FEEDLO N#CC1(c2nc([C@H]3C[N@H+](Cc4ccccc4)CCO3)no2)CCOCC1 ZINC000272688021 550465061 /nfs/dbraw/zinc/46/50/61/550465061.db2.gz TWGKGKRARBURLX-MRXNPFEDSA-N 1 2 354.410 2.215 20 30 FEEDLO N#CC1(c2nc([C@H]3C[N@@H+](Cc4ccccc4)CCO3)no2)CCOCC1 ZINC000272688021 550465063 /nfs/dbraw/zinc/46/50/63/550465063.db2.gz TWGKGKRARBURLX-MRXNPFEDSA-N 1 2 354.410 2.215 20 30 FEEDLO C=C(C)CC[NH+]1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000274759482 550552604 /nfs/dbraw/zinc/55/26/04/550552604.db2.gz JTKAOYZORWPOMK-UHFFFAOYSA-N 1 2 353.444 2.087 20 30 FEEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCc2n[nH]c(=O)cc2C1 ZINC000274904904 550563842 /nfs/dbraw/zinc/56/38/42/550563842.db2.gz ULBBWXMBKZDLQU-UHFFFAOYSA-N 1 2 356.451 2.045 20 30 FEEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCc2n[nH]c(=O)cc2C1 ZINC000274904904 550563843 /nfs/dbraw/zinc/56/38/43/550563843.db2.gz ULBBWXMBKZDLQU-UHFFFAOYSA-N 1 2 356.451 2.045 20 30 FEEDLO CC(C)(C)OC(=O)NC[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)CCO1 ZINC000274999024 550570017 /nfs/dbraw/zinc/57/00/17/550570017.db2.gz PIOUKVNIGDSPOL-QGZVFWFLSA-N 1 2 361.442 2.314 20 30 FEEDLO CC(C)(C)OC(=O)NC[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)CCO1 ZINC000274999024 550570018 /nfs/dbraw/zinc/57/00/18/550570018.db2.gz PIOUKVNIGDSPOL-QGZVFWFLSA-N 1 2 361.442 2.314 20 30 FEEDLO C[C@@H](O[NH+]=C(N)CCO)C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000275537933 550572830 /nfs/dbraw/zinc/57/28/30/550572830.db2.gz RUSJTOAROXGAOY-CQSZACIVSA-N 1 2 357.410 2.264 20 30 FEEDLO C#CCN(CC)C(=O)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000278554052 550798739 /nfs/dbraw/zinc/79/87/39/550798739.db2.gz PQSRQGOVGNXUDR-UHFFFAOYSA-N 1 2 350.422 2.307 20 30 FEEDLO C=CC[N@@H+](CCc1ccco1)Cc1cnn([C@]2(C)CCS(=O)(=O)C2)c1 ZINC000495151068 561483207 /nfs/dbraw/zinc/48/32/07/561483207.db2.gz ZIRSHEMRSPGYTH-GOSISDBHSA-N 1 2 363.483 2.241 20 30 FEEDLO C=CC[N@H+](CCc1ccco1)Cc1cnn([C@]2(C)CCS(=O)(=O)C2)c1 ZINC000495151068 561483208 /nfs/dbraw/zinc/48/32/08/561483208.db2.gz ZIRSHEMRSPGYTH-GOSISDBHSA-N 1 2 363.483 2.241 20 30 FEEDLO N#Cc1c(N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)nc2ccccn12 ZINC000280800526 551033650 /nfs/dbraw/zinc/03/36/50/551033650.db2.gz RXCQDFMXIZJDSP-MOPGFXCFSA-N 1 2 359.433 2.296 20 30 FEEDLO N#Cc1c(N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)nc2ccccn12 ZINC000280800526 551033651 /nfs/dbraw/zinc/03/36/51/551033651.db2.gz RXCQDFMXIZJDSP-MOPGFXCFSA-N 1 2 359.433 2.296 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N(CC)[C@@H](C)c2ccc(F)cc2)C1=O ZINC000281455577 551099584 /nfs/dbraw/zinc/09/95/84/551099584.db2.gz UWWNKOLLBCBGAX-YJBOKZPZSA-N 1 2 361.461 2.454 20 30 FEEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N(CC)[C@@H](C)c2ccc(F)cc2)C1=O ZINC000281455577 551099587 /nfs/dbraw/zinc/09/95/87/551099587.db2.gz UWWNKOLLBCBGAX-YJBOKZPZSA-N 1 2 361.461 2.454 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N(CC)[C@H](C)c2ccc(F)cc2)C1=O ZINC000281455570 551099616 /nfs/dbraw/zinc/09/96/16/551099616.db2.gz UWWNKOLLBCBGAX-QAPCUYQASA-N 1 2 361.461 2.454 20 30 FEEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N(CC)[C@H](C)c2ccc(F)cc2)C1=O ZINC000281455570 551099618 /nfs/dbraw/zinc/09/96/18/551099618.db2.gz UWWNKOLLBCBGAX-QAPCUYQASA-N 1 2 361.461 2.454 20 30 FEEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)N(C)[C@@H]2CCCc3ccccc32)C1=O ZINC000281514078 551107363 /nfs/dbraw/zinc/10/73/63/551107363.db2.gz YXKXYESXIVIDOI-RTBURBONSA-N 1 2 355.482 2.241 20 30 FEEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)N(C)[C@@H]2CCCc3ccccc32)C1=O ZINC000281514078 551107365 /nfs/dbraw/zinc/10/73/65/551107365.db2.gz YXKXYESXIVIDOI-RTBURBONSA-N 1 2 355.482 2.241 20 30 FEEDLO COc1cc(C[NH2+][C@H](c2nc(-c3nc[nH]n3)no2)C(C)C)ccc1C#N ZINC000281602571 551119019 /nfs/dbraw/zinc/11/90/19/551119019.db2.gz GAQPNNZXJGLMMW-AWEZNQCLSA-N 1 2 353.386 2.222 20 30 FEEDLO C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000282805103 551272405 /nfs/dbraw/zinc/27/24/05/551272405.db2.gz KMDOPZHIZFWDFE-ZDUSSCGKSA-N 1 2 361.471 2.079 20 30 FEEDLO C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(C)=O ZINC000282965752 551290819 /nfs/dbraw/zinc/29/08/19/551290819.db2.gz MBXODMAFXARNKA-AWEZNQCLSA-N 1 2 366.874 2.387 20 30 FEEDLO C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(C)=O ZINC000282965752 551290820 /nfs/dbraw/zinc/29/08/20/551290820.db2.gz MBXODMAFXARNKA-AWEZNQCLSA-N 1 2 366.874 2.387 20 30 FEEDLO C#Cc1cc(F)c(NC(=O)C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c(F)c1 ZINC000283278519 551340744 /nfs/dbraw/zinc/34/07/44/551340744.db2.gz NLTXUIMRKSISTE-MLGOLLRUSA-N 1 2 372.375 2.191 20 30 FEEDLO C[C@H](O[NH+]=C(N)[C@H]1CCCO1)C(=O)Nc1ccc(Br)cc1 ZINC000283761911 551423479 /nfs/dbraw/zinc/42/34/79/551423479.db2.gz BAVKHWCARAWKGO-JOYOIKCWSA-N 1 2 356.220 2.244 20 30 FEEDLO COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)O[NH+]=C(N)[C@H]1CCCO1 ZINC000284434499 551548302 /nfs/dbraw/zinc/54/83/02/551548302.db2.gz OXLOQHUMOKCRJO-ZWNOBZJWSA-N 1 2 355.822 2.452 20 30 FEEDLO C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)Nc1c[nH+]ccc1OC ZINC000498994505 561540412 /nfs/dbraw/zinc/54/04/12/561540412.db2.gz IZOITKWFAPDRTP-UHFFFAOYSA-N 1 2 355.394 2.252 20 30 FEEDLO C=CCOc1ccc(CNC(=O)N2CC[C@H]([NH+]3CCN(CC)CC3)C2)cc1 ZINC000288370486 552142093 /nfs/dbraw/zinc/14/20/93/552142093.db2.gz JEBUAMSYHKKVQM-IBGZPJMESA-N 1 2 372.513 2.173 20 30 FEEDLO N#CCNC(=O)C[NH+]1CCC(F)(c2ccccc2OC(F)(F)F)CC1 ZINC000500132535 561566658 /nfs/dbraw/zinc/56/66/58/561566658.db2.gz MJZCVVSFXCGAMJ-UHFFFAOYSA-N 1 2 359.323 2.486 20 30 FEEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N[C@@H](c2ccc(C)cc2)C2CC2)C1=O ZINC000499996686 561563716 /nfs/dbraw/zinc/56/37/16/561563716.db2.gz BZGPJVCDEUUCEY-ICSRJNTNSA-N 1 2 355.482 2.281 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N[C@@H](c2ccc(C)cc2)C2CC2)C1=O ZINC000499996686 561563717 /nfs/dbraw/zinc/56/37/17/561563717.db2.gz BZGPJVCDEUUCEY-ICSRJNTNSA-N 1 2 355.482 2.281 20 30 FEEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)NCC2(c3ccccc3)CCCC2)C1=O ZINC000500001890 561563878 /nfs/dbraw/zinc/56/38/78/561563878.db2.gz RHHRFRVEKAIZTJ-LJQANCHMSA-N 1 2 369.509 2.333 20 30 FEEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)NCC2(c3ccccc3)CCCC2)C1=O ZINC000500001890 561563879 /nfs/dbraw/zinc/56/38/79/561563879.db2.gz RHHRFRVEKAIZTJ-LJQANCHMSA-N 1 2 369.509 2.333 20 30 FEEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)NCCc2ccc(C(C)(C)C)cc2)C1=O ZINC000500014999 561564126 /nfs/dbraw/zinc/56/41/26/561564126.db2.gz NZTULTNZTGLXNE-IBGZPJMESA-N 1 2 371.525 2.362 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)NCCc2ccc(C(C)(C)C)cc2)C1=O ZINC000500014999 561564127 /nfs/dbraw/zinc/56/41/27/561564127.db2.gz NZTULTNZTGLXNE-IBGZPJMESA-N 1 2 371.525 2.362 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)NCCc2ccc(C(C)C)cc2)C1=O ZINC000500017552 561564188 /nfs/dbraw/zinc/56/41/88/561564188.db2.gz JRQMLFVWJSHOJW-IBGZPJMESA-N 1 2 357.498 2.187 20 30 FEEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)NCCc2ccc(C(C)C)cc2)C1=O ZINC000500017552 561564189 /nfs/dbraw/zinc/56/41/89/561564189.db2.gz JRQMLFVWJSHOJW-IBGZPJMESA-N 1 2 357.498 2.187 20 30 FEEDLO C[N@@H+]1CCN(S(=O)(=O)Cc2ccc(C#N)cc2)[C@@H](c2ccccc2)C1 ZINC000288906229 552234193 /nfs/dbraw/zinc/23/41/93/552234193.db2.gz QQNKOYTWXYPKRE-LJQANCHMSA-N 1 2 355.463 2.377 20 30 FEEDLO C[N@H+]1CCN(S(=O)(=O)Cc2ccc(C#N)cc2)[C@@H](c2ccccc2)C1 ZINC000288906229 552234195 /nfs/dbraw/zinc/23/41/95/552234195.db2.gz QQNKOYTWXYPKRE-LJQANCHMSA-N 1 2 355.463 2.377 20 30 FEEDLO COc1ccc(C[N@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C2CC2)cc1 ZINC000289272047 552293263 /nfs/dbraw/zinc/29/32/63/552293263.db2.gz PHWXOKLPCFRGMC-UHFFFAOYSA-N 1 2 371.462 2.400 20 30 FEEDLO COc1ccc(C[N@@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C2CC2)cc1 ZINC000289272047 552293265 /nfs/dbraw/zinc/29/32/65/552293265.db2.gz PHWXOKLPCFRGMC-UHFFFAOYSA-N 1 2 371.462 2.400 20 30 FEEDLO CC[C@H](O)C[N@H+](CCS(=O)(=O)c1ccc(C#N)cn1)Cc1ccccc1 ZINC000289758416 552373654 /nfs/dbraw/zinc/37/36/54/552373654.db2.gz HXYPTOAWBVJLAD-SFHVURJKSA-N 1 2 373.478 2.000 20 30 FEEDLO CC[C@H](O)C[N@@H+](CCS(=O)(=O)c1ccc(C#N)cn1)Cc1ccccc1 ZINC000289758416 552373655 /nfs/dbraw/zinc/37/36/55/552373655.db2.gz HXYPTOAWBVJLAD-SFHVURJKSA-N 1 2 373.478 2.000 20 30 FEEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc3cc(C)ccc3s2)CC1 ZINC000290212922 552443329 /nfs/dbraw/zinc/44/33/29/552443329.db2.gz JABNUZMMVIKPEF-UHFFFAOYSA-N 1 2 369.490 2.107 20 30 FEEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc3cc(C)ccc3s2)CC1 ZINC000290212922 552443331 /nfs/dbraw/zinc/44/33/31/552443331.db2.gz JABNUZMMVIKPEF-UHFFFAOYSA-N 1 2 369.490 2.107 20 30 FEEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)nc2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000501177349 561591862 /nfs/dbraw/zinc/59/18/62/561591862.db2.gz RBQZXPXHFDWLFX-CVEARBPZSA-N 1 2 370.478 2.237 20 30 FEEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)nc2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000501177349 561591863 /nfs/dbraw/zinc/59/18/63/561591863.db2.gz RBQZXPXHFDWLFX-CVEARBPZSA-N 1 2 370.478 2.237 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000291111643 552588103 /nfs/dbraw/zinc/58/81/03/552588103.db2.gz KLJRRXIFKLOCSZ-QGZVFWFLSA-N 1 2 371.403 2.287 20 30 FEEDLO COCC1(C#N)CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000501333206 561595402 /nfs/dbraw/zinc/59/54/02/561595402.db2.gz OJABRZNJYSZSAW-UHFFFAOYSA-N 1 2 369.381 2.173 20 30 FEEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3ncc(C4OCCO4)s3)C2)nc1 ZINC000292786381 552758362 /nfs/dbraw/zinc/75/83/62/552758362.db2.gz LZFRVZGDUTVCBD-CYBMUJFWSA-N 1 2 358.423 2.108 20 30 FEEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3ncc(C4OCCO4)s3)C2)nc1 ZINC000292786381 552758364 /nfs/dbraw/zinc/75/83/64/552758364.db2.gz LZFRVZGDUTVCBD-CYBMUJFWSA-N 1 2 358.423 2.108 20 30 FEEDLO CC(C)[C@H]1C[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CCCO1 ZINC000293239812 552802528 /nfs/dbraw/zinc/80/25/28/552802528.db2.gz SRUGVJLWRXCQOF-GOSISDBHSA-N 1 2 367.453 2.429 20 30 FEEDLO CC(C)[C@H]1C[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CCCO1 ZINC000293239812 552802529 /nfs/dbraw/zinc/80/25/29/552802529.db2.gz SRUGVJLWRXCQOF-GOSISDBHSA-N 1 2 367.453 2.429 20 30 FEEDLO N#C[C@H]1CC[C@H]([NH+]2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)C1 ZINC000293556594 552835142 /nfs/dbraw/zinc/83/51/42/552835142.db2.gz RPQWGMTXTZCGOG-STQMWFEESA-N 1 2 371.865 2.478 20 30 FEEDLO N#C[C@@H]1CC[C@H]([NH+]2CCN(S(=O)(=O)c3ccccc3Cl)CC2)C1 ZINC000293571116 552836371 /nfs/dbraw/zinc/83/63/71/552836371.db2.gz SSROLGKQFHNGCF-KGLIPLIRSA-N 1 2 353.875 2.339 20 30 FEEDLO N#CCCOCC[NH+]1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000293573622 552836916 /nfs/dbraw/zinc/83/69/16/552836916.db2.gz SUJZHFWUTPJSOQ-UHFFFAOYSA-N 1 2 355.360 2.393 20 30 FEEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)C(=O)Nc1sccc1C#N ZINC000294002621 552874435 /nfs/dbraw/zinc/87/44/35/552874435.db2.gz CSCLTKIFEWBGGS-UHFFFAOYSA-N 1 2 359.455 2.256 20 30 FEEDLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)c1cnc(C(F)(F)F)c(C#N)c1 ZINC000294420041 552904751 /nfs/dbraw/zinc/90/47/51/552904751.db2.gz WWUFCROVQZQVBX-UHFFFAOYSA-N 1 2 370.375 2.155 20 30 FEEDLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)c1cnc(C(F)(F)F)c(C#N)c1 ZINC000294420041 552904753 /nfs/dbraw/zinc/90/47/53/552904753.db2.gz WWUFCROVQZQVBX-UHFFFAOYSA-N 1 2 370.375 2.155 20 30 FEEDLO C[C@@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC(=O)N1 ZINC000296380932 553150745 /nfs/dbraw/zinc/15/07/45/553150745.db2.gz YDWXOODKLKHQGP-GFCCVEGCSA-N 1 2 360.483 2.038 20 30 FEEDLO C[C@@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC(=O)N1 ZINC000296380932 553150748 /nfs/dbraw/zinc/15/07/48/553150748.db2.gz YDWXOODKLKHQGP-GFCCVEGCSA-N 1 2 360.483 2.038 20 30 FEEDLO CCn1cc[nH+]c1CNC(=O)C(=O)Nc1sc(C(C)(C)C)cc1C#N ZINC000296632183 553190623 /nfs/dbraw/zinc/19/06/23/553190623.db2.gz YGPRYQRZWXXEBE-UHFFFAOYSA-N 1 2 359.455 2.389 20 30 FEEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@H](OC(=O)N(C)C)C1 ZINC000296680488 553197202 /nfs/dbraw/zinc/19/72/02/553197202.db2.gz LIJNXFWXFTWWEU-RDJZCZTQSA-N 1 2 358.442 2.094 20 30 FEEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@H](OC(=O)N(C)C)C1 ZINC000296680488 553197204 /nfs/dbraw/zinc/19/72/04/553197204.db2.gz LIJNXFWXFTWWEU-RDJZCZTQSA-N 1 2 358.442 2.094 20 30 FEEDLO CCOC1(C)CC[NH+](CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)CC1 ZINC000298323339 553412114 /nfs/dbraw/zinc/41/21/14/553412114.db2.gz QXXJBTHTGDHPDD-HNNXBMFYSA-N 1 2 368.437 2.403 20 30 FEEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000298360636 553416598 /nfs/dbraw/zinc/41/65/98/553416598.db2.gz RFUPRRVTZAFTCP-UHFFFAOYSA-N 1 2 367.453 2.042 20 30 FEEDLO C[C@H]1CCc2c(C#N)c(NC(=O)CC[NH2+][C@]3(C)CCOC3=O)sc2C1 ZINC000298488824 553431137 /nfs/dbraw/zinc/43/11/37/553431137.db2.gz JLVNMTYXOYHKDR-BBATYDOGSA-N 1 2 361.467 2.368 20 30 FEEDLO COCC[N@@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1)CC(C)C ZINC000298746127 553467531 /nfs/dbraw/zinc/46/75/31/553467531.db2.gz LALVHZBEVLOLFX-OAHLLOKOSA-N 1 2 356.426 2.116 20 30 FEEDLO COCC[N@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1)CC(C)C ZINC000298746127 553467533 /nfs/dbraw/zinc/46/75/33/553467533.db2.gz LALVHZBEVLOLFX-OAHLLOKOSA-N 1 2 356.426 2.116 20 30 FEEDLO N#Cc1ccc(CS(=O)(=O)NCC[N@@H+]2CCc3sccc3C2)cc1 ZINC000299071475 553511390 /nfs/dbraw/zinc/51/13/90/553511390.db2.gz OVCRJSDDBFNJQC-UHFFFAOYSA-N 1 2 361.492 2.097 20 30 FEEDLO N#Cc1ccc(CS(=O)(=O)NCC[N@H+]2CCc3sccc3C2)cc1 ZINC000299071475 553511391 /nfs/dbraw/zinc/51/13/91/553511391.db2.gz OVCRJSDDBFNJQC-UHFFFAOYSA-N 1 2 361.492 2.097 20 30 FEEDLO C[C@@H](Oc1ccccc1Cl)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000299506387 553572803 /nfs/dbraw/zinc/57/28/03/553572803.db2.gz HNCPAQZRCSHTEV-OAHLLOKOSA-N 1 2 365.861 2.182 20 30 FEEDLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000299580538 553584028 /nfs/dbraw/zinc/58/40/28/553584028.db2.gz CZRDFYZIDFXVQO-MRXNPFEDSA-N 1 2 363.465 2.239 20 30 FEEDLO Cc1cc(C)c2ncc(C#N)c(N3CC[NH+](CC(=O)NC(C)C)CC3)c2c1 ZINC000301358761 553645084 /nfs/dbraw/zinc/64/50/84/553645084.db2.gz PLHMEOCIFFSSFK-UHFFFAOYSA-N 1 2 365.481 2.370 20 30 FEEDLO COc1cc(OC)cc([C@@H](Nc2ccc(C#N)nn2)c2[nH+]ccn2C)c1 ZINC000301822749 553683055 /nfs/dbraw/zinc/68/30/55/553683055.db2.gz CCLQVVCDOUJYEC-QGZVFWFLSA-N 1 2 350.382 2.300 20 30 FEEDLO Cn1ncc2c1nc(N[C@H]1CCCN(c3ccc(C#N)cc3F)C1)[nH+]c2N ZINC000302891348 553740620 /nfs/dbraw/zinc/74/06/20/553740620.db2.gz PQOVCGDDJUIQTI-LBPRGKRZSA-N 1 2 366.404 2.037 20 30 FEEDLO Cc1cc(C(=O)N2CC[NH2+][C@H](c3cccnc3)C2)nn1-c1cccc(C#N)c1 ZINC000505578903 561674376 /nfs/dbraw/zinc/67/43/76/561674376.db2.gz LYPSULVFUKAGLX-FQEVSTJZSA-N 1 2 372.432 2.234 20 30 FEEDLO N#Cc1cc(S(=O)(=O)NCc2cn3c([nH+]2)CCCC3)ccc1Cl ZINC000328596771 553794537 /nfs/dbraw/zinc/79/45/37/553794537.db2.gz CSCGBFOVYDCJJU-UHFFFAOYSA-N 1 2 350.831 2.223 20 30 FEEDLO CC1(C)C[N@H+](CCNC(=O)N2CCNC(=O)[C@@H]2c2ccccc2)CCO1 ZINC000328760922 553818150 /nfs/dbraw/zinc/81/81/50/553818150.db2.gz XWOQJGGJWWZDFW-INIZCTEOSA-N 1 2 360.458 2.025 20 30 FEEDLO CC1(C)C[N@@H+](CCNC(=O)N2CCNC(=O)[C@@H]2c2ccccc2)CCO1 ZINC000328760922 553818154 /nfs/dbraw/zinc/81/81/54/553818154.db2.gz XWOQJGGJWWZDFW-INIZCTEOSA-N 1 2 360.458 2.025 20 30 FEEDLO Cn1cc(C[NH+]2CCN(C(=O)NCC3CCC(F)(F)CC3)CC2)cn1 ZINC000328832128 553829386 /nfs/dbraw/zinc/82/93/86/553829386.db2.gz VQGGJVYJMPCGQK-UHFFFAOYSA-N 1 2 355.433 2.277 20 30 FEEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)Nc2ccc3c(c2)C(=O)N(C)CC3)C1 ZINC000328882614 553837966 /nfs/dbraw/zinc/83/79/66/553837966.db2.gz XIOCJENRIZSQMR-CQSZACIVSA-N 1 2 353.426 2.083 20 30 FEEDLO CN1CCO[C@H]2CC[N@H+](CC(=O)Nc3ccc4c(c3)OC(F)(F)O4)C[C@H]21 ZINC000328903642 553842075 /nfs/dbraw/zinc/84/20/75/553842075.db2.gz IDOJEKNWZQAZNV-OLZOCXBDSA-N 1 2 369.368 2.001 20 30 FEEDLO CN1CCO[C@H]2CC[N@@H+](CC(=O)Nc3ccc4c(c3)OC(F)(F)O4)C[C@H]21 ZINC000328903642 553842076 /nfs/dbraw/zinc/84/20/76/553842076.db2.gz IDOJEKNWZQAZNV-OLZOCXBDSA-N 1 2 369.368 2.001 20 30 FEEDLO C[N@@H+]1CCO[C@H]2CCN(CC(=O)Nc3ccc4c(c3)OC(F)(F)O4)C[C@H]21 ZINC000328903642 553842077 /nfs/dbraw/zinc/84/20/77/553842077.db2.gz IDOJEKNWZQAZNV-OLZOCXBDSA-N 1 2 369.368 2.001 20 30 FEEDLO C[N@H+]1CCO[C@H]2CCN(CC(=O)Nc3ccc4c(c3)OC(F)(F)O4)C[C@H]21 ZINC000328903642 553842078 /nfs/dbraw/zinc/84/20/78/553842078.db2.gz IDOJEKNWZQAZNV-OLZOCXBDSA-N 1 2 369.368 2.001 20 30 FEEDLO CCO[C@@H]1C[C@H](NC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)C12CCCCC2 ZINC000328969598 553855403 /nfs/dbraw/zinc/85/54/03/553855403.db2.gz AUPOQHOLZLWTIZ-XLAORIBOSA-N 1 2 365.518 2.433 20 30 FEEDLO CCO[C@@H]1C[C@H](NC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)C12CCCCC2 ZINC000328969598 553855409 /nfs/dbraw/zinc/85/54/09/553855409.db2.gz AUPOQHOLZLWTIZ-XLAORIBOSA-N 1 2 365.518 2.433 20 30 FEEDLO Cc1noc(C2CC[NH+](CC(=O)NC[C@H]3COc4ccccc4O3)CC2)n1 ZINC000328982435 553858420 /nfs/dbraw/zinc/85/84/20/553858420.db2.gz FCRFXSJOLIYMRB-HNNXBMFYSA-N 1 2 372.425 2.354 20 30 FEEDLO CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000328997841 553861553 /nfs/dbraw/zinc/86/15/53/553861553.db2.gz FXROOFBSEFVDLE-HUUCEWRRSA-N 1 2 350.463 2.048 20 30 FEEDLO CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000328997841 553861557 /nfs/dbraw/zinc/86/15/57/553861557.db2.gz FXROOFBSEFVDLE-HUUCEWRRSA-N 1 2 350.463 2.048 20 30 FEEDLO CC(C)Cn1ncc(NC(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)c1C(F)F ZINC000329004240 553862811 /nfs/dbraw/zinc/86/28/11/553862811.db2.gz YHGSITFGXVDMEM-UONOGXRCSA-N 1 2 371.432 2.427 20 30 FEEDLO CC(C)Cn1ncc(NC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)c1C(F)F ZINC000329004240 553862812 /nfs/dbraw/zinc/86/28/12/553862812.db2.gz YHGSITFGXVDMEM-UONOGXRCSA-N 1 2 371.432 2.427 20 30 FEEDLO Cc1c(Cl)cccc1NC(=O)CNC(=O)C[NH+]1CCC(C)(C#N)CC1 ZINC000506040921 561688145 /nfs/dbraw/zinc/68/81/45/561688145.db2.gz GIGATYMETSMBRU-UHFFFAOYSA-N 1 2 362.861 2.329 20 30 FEEDLO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)C1(N2CCOCC2)CCC1 ZINC000329101745 553880710 /nfs/dbraw/zinc/88/07/10/553880710.db2.gz FFKQPKPQFBLALS-IBGZPJMESA-N 1 2 373.497 2.099 20 30 FEEDLO O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C1(N2CCOCC2)CCC1 ZINC000329101745 553880712 /nfs/dbraw/zinc/88/07/12/553880712.db2.gz FFKQPKPQFBLALS-IBGZPJMESA-N 1 2 373.497 2.099 20 30 FEEDLO Cc1noc([C@H](NC(=O)[C@H](C)[NH+]2CCSCC2)C2CCOCC2)n1 ZINC000329122437 553883975 /nfs/dbraw/zinc/88/39/75/553883975.db2.gz KVZYRVYJDGAGFT-SMDDNHRTSA-N 1 2 354.476 2.240 20 30 FEEDLO O=C(NCc1ccc(N2CCOCC2)[nH+]c1)N1CCC[C@@H]1C1CCOCC1 ZINC000329227770 553906705 /nfs/dbraw/zinc/90/67/05/553906705.db2.gz IJDRVFBFJKPFHS-GOSISDBHSA-N 1 2 374.485 2.223 20 30 FEEDLO CCO[C@@H]1C[C@H](NC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)C12CCCC2 ZINC000329244188 553909718 /nfs/dbraw/zinc/90/97/18/553909718.db2.gz UHGSWBNPZAWGES-ZJPYXAASSA-N 1 2 365.518 2.433 20 30 FEEDLO Cn1c[nH+]cc1[C@H]1[C@H](NC(=O)N[C@@H]2CC[C@@H](F)C2)CCC(=O)N1C1CC1 ZINC000329253900 553911788 /nfs/dbraw/zinc/91/17/88/553911788.db2.gz ZLTRWFPSCLOQCK-CTWCOEIASA-N 1 2 363.437 2.009 20 30 FEEDLO C[C@H]1CCCC[C@@H]1NC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000329278076 553915431 /nfs/dbraw/zinc/91/54/31/553915431.db2.gz LCZPQMUFJFRTGG-HOCLYGCPSA-N 1 2 359.474 2.183 20 30 FEEDLO N#Cc1ccc(N2CC[NH+](Cc3cnn(CC(F)(F)F)c3)CC2)nc1 ZINC000506424096 561698569 /nfs/dbraw/zinc/69/85/69/561698569.db2.gz UZWYTWVBCQXREQ-UHFFFAOYSA-N 1 2 350.348 2.034 20 30 FEEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)N[C@@H]1CCC(=O)N[C@H]1C(C)(C)C ZINC000329385883 553935897 /nfs/dbraw/zinc/93/58/97/553935897.db2.gz SEVYWBRQADXJRC-JYYAWHABSA-N 1 2 366.506 2.229 20 30 FEEDLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)N[C@@H]1CCCN(C2CCCCC2)C1=O ZINC000329503582 553958975 /nfs/dbraw/zinc/95/89/75/553958975.db2.gz ASGVMDPZHKOMBP-CZUORRHYSA-N 1 2 359.474 2.094 20 30 FEEDLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)N[C@@H]1CCCN(C2CCCCC2)C1=O ZINC000329503582 553958979 /nfs/dbraw/zinc/95/89/79/553958979.db2.gz ASGVMDPZHKOMBP-CZUORRHYSA-N 1 2 359.474 2.094 20 30 FEEDLO CC(=O)N1CC[NH+](CCNC(=O)c2cnn(C3CCCCC3)c2C)CC1 ZINC000329516848 553961178 /nfs/dbraw/zinc/96/11/78/553961178.db2.gz PABMZFKLUNANMI-UHFFFAOYSA-N 1 2 361.490 2.165 20 30 FEEDLO C[C@H](c1nccs1)N1CCN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000329737934 553997827 /nfs/dbraw/zinc/99/78/27/553997827.db2.gz MOAPBSKWTUJKIZ-CHWSQXEVSA-N 1 2 360.487 2.016 20 30 FEEDLO C[C@H](c1nccs1)N1CCN(C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000329737934 553997828 /nfs/dbraw/zinc/99/78/28/553997828.db2.gz MOAPBSKWTUJKIZ-CHWSQXEVSA-N 1 2 360.487 2.016 20 30 FEEDLO C[N@@H+]1CC[C@H](NC(=O)N2C[C@@H]3CC[C@H](O)[C@@H]3C2)[C@H]1c1ccc(F)c(F)c1 ZINC000329751566 553999716 /nfs/dbraw/zinc/99/97/16/553999716.db2.gz IYVSXQZUOPHYTF-BENORSOKSA-N 1 2 365.424 2.327 20 30 FEEDLO C[N@H+]1CC[C@H](NC(=O)N2C[C@@H]3CC[C@H](O)[C@@H]3C2)[C@H]1c1ccc(F)c(F)c1 ZINC000329751566 553999719 /nfs/dbraw/zinc/99/97/19/553999719.db2.gz IYVSXQZUOPHYTF-BENORSOKSA-N 1 2 365.424 2.327 20 30 FEEDLO O=C(NCC1([NH+]2CCSCC2)CCCC1)[C@@H]1CCCCS1(=O)=O ZINC000329767384 554002413 /nfs/dbraw/zinc/00/24/13/554002413.db2.gz ZLTBVWFGKZYAHR-AWEZNQCLSA-N 1 2 360.545 2.272 20 30 FEEDLO C[C@@H]1CCCCCN1C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000329835991 554015697 /nfs/dbraw/zinc/01/56/97/554015697.db2.gz LOVDCCXLHXJGDX-OAHLLOKOSA-N 1 2 359.474 2.279 20 30 FEEDLO Cc1ncc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(C2CC2)n1 ZINC000329850490 554019058 /nfs/dbraw/zinc/01/90/58/554019058.db2.gz SIRAZOWAIWOAMV-UHFFFAOYSA-N 1 2 361.449 2.492 20 30 FEEDLO Cc1cc(C)c(NC(=O)CNC(=O)CN2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)c(C)c1 ZINC000329924915 554032823 /nfs/dbraw/zinc/03/28/23/554032823.db2.gz JMMZWVRFXNHEJY-IRXDYDNUSA-N 1 2 374.485 2.171 20 30 FEEDLO Cc1cc(C)c(NC(=O)CNC(=O)CN2C[C@@H]3OCC[N@H+](C)[C@H]3C2)c(C)c1 ZINC000329924915 554032825 /nfs/dbraw/zinc/03/28/25/554032825.db2.gz JMMZWVRFXNHEJY-IRXDYDNUSA-N 1 2 374.485 2.171 20 30 FEEDLO Cc1cc(C)c(NC(=O)CNC(=O)C[N@H+]2C[C@@H]3OCCN(C)[C@H]3C2)c(C)c1 ZINC000329924915 554032828 /nfs/dbraw/zinc/03/28/28/554032828.db2.gz JMMZWVRFXNHEJY-IRXDYDNUSA-N 1 2 374.485 2.171 20 30 FEEDLO Cc1cc(C)c(NC(=O)CNC(=O)C[N@@H+]2C[C@@H]3OCCN(C)[C@H]3C2)c(C)c1 ZINC000329924915 554032830 /nfs/dbraw/zinc/03/28/30/554032830.db2.gz JMMZWVRFXNHEJY-IRXDYDNUSA-N 1 2 374.485 2.171 20 30 FEEDLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)NCC2C(C)(C)C2(C)C)CC1 ZINC000330029214 554051871 /nfs/dbraw/zinc/05/18/71/554051871.db2.gz PSCSNICFTRHMJS-UHFFFAOYSA-N 1 2 371.489 2.082 20 30 FEEDLO CCCS(=O)(=O)N1CCCC[C@H]1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000330029310 554052017 /nfs/dbraw/zinc/05/20/17/554052017.db2.gz PUBOQMMLLNQKEP-HNNXBMFYSA-N 1 2 364.471 2.385 20 30 FEEDLO Cc1[nH+]c[nH]c1CNC(=O)c1sccc1S(=O)(=O)N1CCCCC1 ZINC000330051360 554055631 /nfs/dbraw/zinc/05/56/31/554055631.db2.gz NIPSAPAKPLFLDA-UHFFFAOYSA-N 1 2 368.484 2.459 20 30 FEEDLO CC(C)C(=O)NC[C@@H]1CCCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000330092995 554063515 /nfs/dbraw/zinc/06/35/15/554063515.db2.gz RGZKIQIPGVSZGS-WMZOPIPTSA-N 1 2 365.518 2.481 20 30 FEEDLO CC(C)C(=O)NC[C@@H]1CCCN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000330092995 554063518 /nfs/dbraw/zinc/06/35/18/554063518.db2.gz RGZKIQIPGVSZGS-WMZOPIPTSA-N 1 2 365.518 2.481 20 30 FEEDLO CC[C@H]1C[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C[C@@]2(CCOC2)O1 ZINC000330166927 554077383 /nfs/dbraw/zinc/07/73/83/554077383.db2.gz YLYQMYDIKIRYLB-QFBILLFUSA-N 1 2 354.410 2.378 20 30 FEEDLO CC[C@H]1C[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C[C@@]2(CCOC2)O1 ZINC000330166927 554077384 /nfs/dbraw/zinc/07/73/84/554077384.db2.gz YLYQMYDIKIRYLB-QFBILLFUSA-N 1 2 354.410 2.378 20 30 FEEDLO C[C@H](NC(=O)C1CCCCC1)C(=O)N1CCN(C)[C@H](c2[nH+]ccn2C)C1 ZINC000330337838 554107360 /nfs/dbraw/zinc/10/73/60/554107360.db2.gz UNAFUKARFBWJBI-HOCLYGCPSA-N 1 2 361.490 2.161 20 30 FEEDLO C[C@H](C(=O)Nc1nc2ccc(F)cc2s1)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000330345752 554109175 /nfs/dbraw/zinc/10/91/75/554109175.db2.gz FOSGXGNIEHHUGQ-SWHYSGLUSA-N 1 2 364.446 2.427 20 30 FEEDLO C[C@H](C(=O)Nc1nc2ccc(F)cc2s1)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000330345752 554109180 /nfs/dbraw/zinc/10/91/80/554109180.db2.gz FOSGXGNIEHHUGQ-SWHYSGLUSA-N 1 2 364.446 2.427 20 30 FEEDLO CCN1CCN(C(=O)Nc2cnc(C(C)(C)C)nc2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000330347402 554109684 /nfs/dbraw/zinc/10/96/84/554109684.db2.gz HOQFVRCJOMZPKD-CQSZACIVSA-N 1 2 357.462 2.422 20 30 FEEDLO CC(=O)N(C)c1cccc(NC(=O)N[C@@H]2CCO[C@H](c3c[nH+]cn3C)C2)c1 ZINC000330360854 554111411 /nfs/dbraw/zinc/11/14/11/554111411.db2.gz XPZVQDZQTMVUDN-QAPCUYQASA-N 1 2 371.441 2.458 20 30 FEEDLO CC[N@@H+]1CC[C@H](NC(=O)N(C)[C@H](C)CO)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000330791360 554171531 /nfs/dbraw/zinc/17/15/31/554171531.db2.gz AOHFHIYTGSETFS-OOVXXXAESA-N 1 2 359.392 2.466 20 30 FEEDLO CC[N@H+]1CC[C@H](NC(=O)N(C)[C@H](C)CO)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000330791360 554171534 /nfs/dbraw/zinc/17/15/34/554171534.db2.gz AOHFHIYTGSETFS-OOVXXXAESA-N 1 2 359.392 2.466 20 30 FEEDLO C[C@@H]1C[NH+](C(C)(C)CNS(=O)(=O)CC2(C#N)CCCCC2)C[C@@H](C)O1 ZINC000330888550 554183511 /nfs/dbraw/zinc/18/35/11/554183511.db2.gz UPTXIDXFGZWIJC-HZPDHXFCSA-N 1 2 371.547 2.268 20 30 FEEDLO COc1cc(NC(=O)NC[C@H]2CN(C)CC[N@@H+]2C)ccc1OC(C)C ZINC000331005886 554200113 /nfs/dbraw/zinc/20/01/13/554200113.db2.gz SIRLTARHXKAFNY-HNNXBMFYSA-N 1 2 350.463 2.054 20 30 FEEDLO COc1cc(NC(=O)NC[C@H]2CN(C)CC[N@H+]2C)ccc1OC(C)C ZINC000331005886 554200115 /nfs/dbraw/zinc/20/01/15/554200115.db2.gz SIRLTARHXKAFNY-HNNXBMFYSA-N 1 2 350.463 2.054 20 30 FEEDLO C=CCn1c(Cc2ccsc2)nnc1N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000508475021 561763067 /nfs/dbraw/zinc/76/30/67/561763067.db2.gz XLPZOQLEPQGLBY-INIZCTEOSA-N 1 2 359.499 2.027 20 30 FEEDLO C=CCn1c(-c2ccccc2F)nnc1N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000508729973 561770968 /nfs/dbraw/zinc/77/09/68/561770968.db2.gz LMHHLJWFNZLETB-HNNXBMFYSA-N 1 2 357.433 2.181 20 30 FEEDLO N#CC1CC[NH+]([C@@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)CC1 ZINC000331678707 554307360 /nfs/dbraw/zinc/30/73/60/554307360.db2.gz PIEDSLCMVNDRQN-CQSZACIVSA-N 1 2 362.227 2.317 20 30 FEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000331730375 554317481 /nfs/dbraw/zinc/31/74/81/554317481.db2.gz OZSZROSVRFHWHW-MSOLQXFVSA-N 1 2 355.438 2.107 20 30 FEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000331730375 554317484 /nfs/dbraw/zinc/31/74/84/554317484.db2.gz OZSZROSVRFHWHW-MSOLQXFVSA-N 1 2 355.438 2.107 20 30 FEEDLO CNc1cc2c(nn1)CC[N@@H+]([C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1)C2 ZINC000609269860 554354426 /nfs/dbraw/zinc/35/44/26/554354426.db2.gz YRGZEZCLKVZWDL-RDYUPDBUSA-N 1 2 370.501 2.196 20 30 FEEDLO CNc1cc2c(nn1)CC[N@H+]([C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1)C2 ZINC000609269860 554354428 /nfs/dbraw/zinc/35/44/28/554354428.db2.gz YRGZEZCLKVZWDL-RDYUPDBUSA-N 1 2 370.501 2.196 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccc2c(c1)OC(F)(F)O2 ZINC000509666389 561809694 /nfs/dbraw/zinc/80/96/94/561809694.db2.gz OAYBQHXKORCFME-UHFFFAOYSA-N 1 2 353.369 2.056 20 30 FEEDLO Cc1cnc(N2CC[NH+](CC(=O)N(C)C3(C#N)CCCCC3)CC2)s1 ZINC000331994015 554359685 /nfs/dbraw/zinc/35/96/85/554359685.db2.gz ZVOCDLKVFJDDFZ-UHFFFAOYSA-N 1 2 361.515 2.258 20 30 FEEDLO C[C@@H]1CCC[C@@H](NC(=O)CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000332001351 554360616 /nfs/dbraw/zinc/36/06/16/554360616.db2.gz RGTJPVJPQIYKRS-YLJYHZDGSA-N 1 2 354.498 2.371 20 30 FEEDLO C[C@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000332071042 554373965 /nfs/dbraw/zinc/37/39/65/554373965.db2.gz VNPCFEGWVUPIKP-NTDBWNAOSA-N 1 2 369.513 2.405 20 30 FEEDLO Cn1cc[nH+]c1[C@H]1CCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)C1 ZINC000332078657 554375323 /nfs/dbraw/zinc/37/53/23/554375323.db2.gz HOYOICGVSAOPLK-NSHDSACASA-N 1 2 350.831 2.123 20 30 FEEDLO CC(C)[C@H]1CCC[C@H](NC(=O)C(=O)N2CCC(C#N)([NH+](C)C)CC2)CC1 ZINC000332296652 554419642 /nfs/dbraw/zinc/41/96/42/554419642.db2.gz KDWKXFFOFUVQML-IRXDYDNUSA-N 1 2 362.518 2.154 20 30 FEEDLO COC(=O)c1ccc(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)nc1 ZINC000509896099 561817707 /nfs/dbraw/zinc/81/77/07/561817707.db2.gz CPWWLHOCVXTQGV-UHFFFAOYSA-N 1 2 354.385 2.201 20 30 FEEDLO Cc1cc(N2CCN(C(=O)c3cc(C#N)ccn3)CC2)nc(C(C)C)[nH+]1 ZINC000332380383 554435116 /nfs/dbraw/zinc/43/51/16/554435116.db2.gz ODUWAMPOAFVWJF-UHFFFAOYSA-N 1 2 350.426 2.138 20 30 FEEDLO CC(C)Oc1ccc(NC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)cc1C#N ZINC000332582005 554476409 /nfs/dbraw/zinc/47/64/09/554476409.db2.gz GEBAWGXVWLHYID-WMZOPIPTSA-N 1 2 358.442 2.282 20 30 FEEDLO CC(C)Oc1ccc(NC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)cc1C#N ZINC000332582005 554476413 /nfs/dbraw/zinc/47/64/13/554476413.db2.gz GEBAWGXVWLHYID-WMZOPIPTSA-N 1 2 358.442 2.282 20 30 FEEDLO C[N@H+](Cc1ccccc1)C1CN(S(=O)(=O)c2ccc(F)cc2C#N)C1 ZINC000510503167 561836834 /nfs/dbraw/zinc/83/68/34/561836834.db2.gz SBZQFQQEIUXRPD-UHFFFAOYSA-N 1 2 359.426 2.202 20 30 FEEDLO C[N@@H+](Cc1ccccc1)C1CN(S(=O)(=O)c2ccc(F)cc2C#N)C1 ZINC000510503167 561836835 /nfs/dbraw/zinc/83/68/35/561836835.db2.gz SBZQFQQEIUXRPD-UHFFFAOYSA-N 1 2 359.426 2.202 20 30 FEEDLO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCO[C@H](C(=O)C3CC3)C1)CCC2 ZINC000333184093 554585495 /nfs/dbraw/zinc/58/54/95/554585495.db2.gz SNGDXDPPZJHNQY-HNNXBMFYSA-N 1 2 373.478 2.117 20 30 FEEDLO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCO[C@H](C(=O)C3CC3)C1)CCC2 ZINC000333184093 554585498 /nfs/dbraw/zinc/58/54/98/554585498.db2.gz SNGDXDPPZJHNQY-HNNXBMFYSA-N 1 2 373.478 2.117 20 30 FEEDLO C[C@H]1C[C@@H](NC(=O)N2CCN(c3cccc(F)c3C#N)CC2)c2[nH+]ccn21 ZINC000333190039 554586553 /nfs/dbraw/zinc/58/65/53/554586553.db2.gz NXZRUDHQRYDTLV-XJKSGUPXSA-N 1 2 368.416 2.431 20 30 FEEDLO N#CC1(NC(=O)C[N@@H+]2CC[C@@]3(C2)CC(=O)c2ccccc2O3)CCCCC1 ZINC000333684288 554633004 /nfs/dbraw/zinc/63/30/04/554633004.db2.gz AEWNKOTYGAOJJO-NRFANRHFSA-N 1 2 367.449 2.439 20 30 FEEDLO N#CC1(NC(=O)C[N@H+]2CC[C@@]3(C2)CC(=O)c2ccccc2O3)CCCCC1 ZINC000333684288 554633005 /nfs/dbraw/zinc/63/30/05/554633005.db2.gz AEWNKOTYGAOJJO-NRFANRHFSA-N 1 2 367.449 2.439 20 30 FEEDLO Cc1nnc(C2CC[NH+]([C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)CC2)[nH]1 ZINC000360471954 554876076 /nfs/dbraw/zinc/87/60/76/554876076.db2.gz GODNCUWWJIRFCQ-GOSISDBHSA-N 1 2 364.453 2.360 20 30 FEEDLO COc1cc(C=CC(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)ccc1OCC#N ZINC000361277859 554913783 /nfs/dbraw/zinc/91/37/83/554913783.db2.gz GHUKNHCTVQKZSB-RRFAQUSLSA-N 1 2 352.394 2.008 20 30 FEEDLO COc1cc(C=CC(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)ccc1OCC#N ZINC000361277859 554913784 /nfs/dbraw/zinc/91/37/84/554913784.db2.gz GHUKNHCTVQKZSB-RRFAQUSLSA-N 1 2 352.394 2.008 20 30 FEEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1[C@@H]2CCCC[C@@H]2C[C@H]1C(N)=O ZINC000361418757 554921464 /nfs/dbraw/zinc/92/14/64/554921464.db2.gz YYARFUVXDNGGDJ-BMFZPTHFSA-N 1 2 372.494 2.359 20 30 FEEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1[C@@H]2CCCC[C@@H]2C[C@H]1C(N)=O ZINC000361418757 554921466 /nfs/dbraw/zinc/92/14/66/554921466.db2.gz YYARFUVXDNGGDJ-BMFZPTHFSA-N 1 2 372.494 2.359 20 30 FEEDLO C=CCNC(=O)c1ccc(NC(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000363158736 555042742 /nfs/dbraw/zinc/04/27/42/555042742.db2.gz DJOITNWBSNYXHO-OAHLLOKOSA-N 1 2 353.426 2.357 20 30 FEEDLO N#Cc1cccc(CS(=O)(=O)NC2CCN(c3cccc[nH+]3)CC2)c1 ZINC000363397837 555095212 /nfs/dbraw/zinc/09/52/12/555095212.db2.gz WUGQQLZICXTXQU-UHFFFAOYSA-N 1 2 356.451 2.042 20 30 FEEDLO CCCC(=O)N1CCC[N@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000363433556 555104765 /nfs/dbraw/zinc/10/47/65/555104765.db2.gz DNWCDHLQPJLZDJ-UHFFFAOYSA-N 1 2 362.861 2.485 20 30 FEEDLO CCCC(=O)N1CCC[N@@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000363433556 555104766 /nfs/dbraw/zinc/10/47/66/555104766.db2.gz DNWCDHLQPJLZDJ-UHFFFAOYSA-N 1 2 362.861 2.485 20 30 FEEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CCCC[C@@H]2Cn2cccn2)c1 ZINC000363502012 555121687 /nfs/dbraw/zinc/12/16/87/555121687.db2.gz FUOSMVYFQPUXKC-QGZVFWFLSA-N 1 2 358.467 2.083 20 30 FEEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCCC[C@@H]2Cn2cccn2)c1 ZINC000363502012 555121689 /nfs/dbraw/zinc/12/16/89/555121689.db2.gz FUOSMVYFQPUXKC-QGZVFWFLSA-N 1 2 358.467 2.083 20 30 FEEDLO CCOc1ccccc1OC1CC[NH+](CC(=O)NC2(C#N)CCC2)CC1 ZINC000363882105 555206202 /nfs/dbraw/zinc/20/62/02/555206202.db2.gz MMGAOYVURGSXTD-UHFFFAOYSA-N 1 2 357.454 2.491 20 30 FEEDLO C=C(C)C[N@H+](CCNS(=O)(=O)c1ccccc1)Cc1ccc(CO)o1 ZINC000512214676 561896084 /nfs/dbraw/zinc/89/60/84/561896084.db2.gz SJFVBHWJNZHPNS-UHFFFAOYSA-N 1 2 364.467 2.129 20 30 FEEDLO C=C(C)C[N@@H+](CCNS(=O)(=O)c1ccccc1)Cc1ccc(CO)o1 ZINC000512214676 561896086 /nfs/dbraw/zinc/89/60/86/561896086.db2.gz SJFVBHWJNZHPNS-UHFFFAOYSA-N 1 2 364.467 2.129 20 30 FEEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H]1CCCN(c2ccn(C)n2)C1=O ZINC000512226862 561896742 /nfs/dbraw/zinc/89/67/42/561896742.db2.gz JPGQPECJIVGJPJ-QGZVFWFLSA-N 1 2 358.442 2.079 20 30 FEEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H]1CCCN(c2ccn(C)n2)C1=O ZINC000512226862 561896744 /nfs/dbraw/zinc/89/67/44/561896744.db2.gz JPGQPECJIVGJPJ-QGZVFWFLSA-N 1 2 358.442 2.079 20 30 FEEDLO N#Cc1ccc(N2CCC[C@H]([N@H+]3CCc4ccccc4[C@H]3C(N)=O)C2=O)cc1 ZINC000365101091 555485594 /nfs/dbraw/zinc/48/55/94/555485594.db2.gz QQYOLHOSQIMUMC-PMACEKPBSA-N 1 2 374.444 2.138 20 30 FEEDLO N#Cc1ccc(N2CCC[C@H]([N@@H+]3CCc4ccccc4[C@H]3C(N)=O)C2=O)cc1 ZINC000365101091 555485595 /nfs/dbraw/zinc/48/55/95/555485595.db2.gz QQYOLHOSQIMUMC-PMACEKPBSA-N 1 2 374.444 2.138 20 30 FEEDLO C#CC[N@H+](CC(=O)N1CCC1)[C@H]1CCOc2ccc(Br)cc21 ZINC000365209677 555511492 /nfs/dbraw/zinc/51/14/92/555511492.db2.gz WWAYCERSJZXSBX-HNNXBMFYSA-N 1 2 363.255 2.440 20 30 FEEDLO C#CC[N@@H+](CC(=O)N1CCC1)[C@H]1CCOc2ccc(Br)cc21 ZINC000365209677 555511494 /nfs/dbraw/zinc/51/14/94/555511494.db2.gz WWAYCERSJZXSBX-HNNXBMFYSA-N 1 2 363.255 2.440 20 30 FEEDLO N#Cc1ccc(Cl)c(S(=O)(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000365557444 555608230 /nfs/dbraw/zinc/60/82/30/555608230.db2.gz OLIKULFKVXUFEP-CQSZACIVSA-N 1 2 363.826 2.449 20 30 FEEDLO Cc1ccc2ncc(C#N)c(N3CCC(N4CC[N@@H+](C)CC4=O)CC3)c2c1 ZINC000366265692 555796840 /nfs/dbraw/zinc/79/68/40/555796840.db2.gz RBHCJKAMRRJRAP-UHFFFAOYSA-N 1 2 363.465 2.158 20 30 FEEDLO Cc1ccc2ncc(C#N)c(N3CCC(N4CC[N@H+](C)CC4=O)CC3)c2c1 ZINC000366265692 555796842 /nfs/dbraw/zinc/79/68/42/555796842.db2.gz RBHCJKAMRRJRAP-UHFFFAOYSA-N 1 2 363.465 2.158 20 30 FEEDLO CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1)c1c(C#N)cccc1C#N ZINC000366513207 555864457 /nfs/dbraw/zinc/86/44/57/555864457.db2.gz ZHPUOQVUYRXVQU-ROUUACIJSA-N 1 2 352.417 2.212 20 30 FEEDLO CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1)c1c(C#N)cccc1C#N ZINC000366513207 555864458 /nfs/dbraw/zinc/86/44/58/555864458.db2.gz ZHPUOQVUYRXVQU-ROUUACIJSA-N 1 2 352.417 2.212 20 30 FEEDLO N#Cc1ccc(CN2CC[C@H](NC(=O)Nc3ccn4cc[nH+]c4c3)C2=O)cc1 ZINC000367978164 556186388 /nfs/dbraw/zinc/18/63/88/556186388.db2.gz UKPPQQTYPHSCES-KRWDZBQOSA-N 1 2 374.404 2.129 20 30 FEEDLO N#Cc1ccc(CN2CC[C@@H](NC(=O)Nc3ccn4cc[nH+]c4c3)C2=O)cc1 ZINC000367978165 556186404 /nfs/dbraw/zinc/18/64/04/556186404.db2.gz UKPPQQTYPHSCES-QGZVFWFLSA-N 1 2 374.404 2.129 20 30 FEEDLO N#C[C@H]1CN(C(=O)Nc2ccn3cc[nH+]c3c2)C[C@@]12C(=O)Nc1ccccc12 ZINC000368112651 556222044 /nfs/dbraw/zinc/22/20/44/556222044.db2.gz FWHKLDIPNOWFDL-RNODOKPDSA-N 1 2 372.388 2.212 20 30 FEEDLO COCC[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)[C@@H]1CCCc2cccnc21 ZINC000369003924 556473252 /nfs/dbraw/zinc/47/32/52/556473252.db2.gz WRMGENQGVAPCHZ-XLIONFOSSA-N 1 2 358.486 2.462 20 30 FEEDLO COCC[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)[C@@H]1CCCc2cccnc21 ZINC000369003924 556473258 /nfs/dbraw/zinc/47/32/58/556473258.db2.gz WRMGENQGVAPCHZ-XLIONFOSSA-N 1 2 358.486 2.462 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCc3cnc(C4CC4)o3)CC2)cc1 ZINC000515996671 562027289 /nfs/dbraw/zinc/02/72/89/562027289.db2.gz CTSVYLLIOGQDDX-UHFFFAOYSA-N 1 2 365.437 2.451 20 30 FEEDLO Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000369345158 556575000 /nfs/dbraw/zinc/57/50/00/556575000.db2.gz RBNGIEUZUVWGED-QGZVFWFLSA-N 1 2 368.485 2.486 20 30 FEEDLO C[C@H]1CC[S@@](=O)CC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000369359720 556579837 /nfs/dbraw/zinc/57/98/37/556579837.db2.gz UJLSWLSUGHYCQJ-FNODVLLQSA-N 1 2 365.524 2.280 20 30 FEEDLO C[C@H]1CC[S@@](=O)CC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000369359720 556579838 /nfs/dbraw/zinc/57/98/38/556579838.db2.gz UJLSWLSUGHYCQJ-FNODVLLQSA-N 1 2 365.524 2.280 20 30 FEEDLO Cc1oc(NC(=O)[C@H](C)[NH+]2CCC(Oc3cnccn3)CC2)c(C#N)c1C ZINC000369691602 556669629 /nfs/dbraw/zinc/66/96/29/556669629.db2.gz FRYODQHXYUPJJN-ZDUSSCGKSA-N 1 2 369.425 2.429 20 30 FEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC000516573669 562048786 /nfs/dbraw/zinc/04/87/86/562048786.db2.gz BVYIHRBRMAFARL-INIZCTEOSA-N 1 2 365.359 2.465 20 30 FEEDLO C[C@@H](C(=O)Nc1c(F)cccc1F)[NH+]1CCC(n2cnc(C#N)n2)CC1 ZINC000370120698 556786151 /nfs/dbraw/zinc/78/61/51/556786151.db2.gz IRLRCTBWKLQVGT-NSHDSACASA-N 1 2 360.368 2.092 20 30 FEEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@H](c1nc(C)no1)C1CCOCC1 ZINC000370171538 556801288 /nfs/dbraw/zinc/80/12/88/556801288.db2.gz HPZOMPFXPHDBFP-CJNGLKHVSA-N 1 2 350.463 2.248 20 30 FEEDLO N#Cc1ccc(C[C@@H](C#N)C(=O)NCc2ccnc(-n3cc[nH+]c3)c2)cc1 ZINC000370482736 556885734 /nfs/dbraw/zinc/88/57/34/556885734.db2.gz CKPAEFQGCMHHSW-SFHVURJKSA-N 1 2 356.389 2.138 20 30 FEEDLO C=CC[N@@H+](Cc1ncnn1CCC)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000517070654 562074412 /nfs/dbraw/zinc/07/44/12/562074412.db2.gz DSDQEFQKTVKFAM-HNNXBMFYSA-N 1 2 352.446 2.413 20 30 FEEDLO C=CC[N@H+](Cc1ncnn1CCC)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000517070654 562074413 /nfs/dbraw/zinc/07/44/13/562074413.db2.gz DSDQEFQKTVKFAM-HNNXBMFYSA-N 1 2 352.446 2.413 20 30 FEEDLO C[N@@H+]1CCc2ncnc(NCC3CCN(c4ccccc4C#N)CC3)c2C1 ZINC000371105061 557076922 /nfs/dbraw/zinc/07/69/22/557076922.db2.gz YQHZNBBTCGPAHZ-UHFFFAOYSA-N 1 2 362.481 2.665 20 30 FEEDLO C[N@H+]1CCc2ncnc(NCC3CCN(c4ccccc4C#N)CC3)c2C1 ZINC000371105061 557076925 /nfs/dbraw/zinc/07/69/25/557076925.db2.gz YQHZNBBTCGPAHZ-UHFFFAOYSA-N 1 2 362.481 2.665 20 30 FEEDLO N#Cc1cc(F)ccc1CS(=O)(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000518451479 562111902 /nfs/dbraw/zinc/11/19/02/562111902.db2.gz LHQXDFGHVKJKNK-UHFFFAOYSA-N 1 2 373.453 2.345 20 30 FEEDLO CCO[C@@H](C)c1noc(C[N@@H+]2CCCN(c3nc(C)ccc3C#N)CC2)n1 ZINC000372318788 557438049 /nfs/dbraw/zinc/43/80/49/557438049.db2.gz OLCCGUODDATDOE-HNNXBMFYSA-N 1 2 370.457 2.455 20 30 FEEDLO CCO[C@@H](C)c1noc(C[N@H+]2CCCN(c3nc(C)ccc3C#N)CC2)n1 ZINC000372318788 557438053 /nfs/dbraw/zinc/43/80/53/557438053.db2.gz OLCCGUODDATDOE-HNNXBMFYSA-N 1 2 370.457 2.455 20 30 FEEDLO Cc1ccccc1Cc1nnc(C[NH+]2CCC(n3cnc(C#N)n3)CC2)o1 ZINC000373400680 557687174 /nfs/dbraw/zinc/68/71/74/557687174.db2.gz RDECIGYGAZKPQG-UHFFFAOYSA-N 1 2 363.425 2.269 20 30 FEEDLO CC(=O)c1ccc(NC(=O)[C@@H](C)[NH+]2CCC(n3cnc(C#N)n3)CC2)cc1 ZINC000373412827 557689259 /nfs/dbraw/zinc/68/92/59/557689259.db2.gz OBMPYVMCOGFKNR-CYBMUJFWSA-N 1 2 366.425 2.016 20 30 FEEDLO CN(C)C(=O)c1cccc(C[N@@H+]2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)c1 ZINC000374354675 557870761 /nfs/dbraw/zinc/87/07/61/557870761.db2.gz VFRFIGLIZGVILG-VGOFRKELSA-N 1 2 374.444 2.234 20 30 FEEDLO CN(C)C(=O)c1cccc(C[N@H+]2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)c1 ZINC000374354675 557870762 /nfs/dbraw/zinc/87/07/62/557870762.db2.gz VFRFIGLIZGVILG-VGOFRKELSA-N 1 2 374.444 2.234 20 30 FEEDLO N#Cc1ccc(CSCC(=O)N2CC[NH2+][C@H](c3cccnc3)C2)cc1 ZINC000374374462 557873953 /nfs/dbraw/zinc/87/39/53/557873953.db2.gz WHRKRXODLZFGQU-SFHVURJKSA-N 1 2 352.463 2.360 20 30 FEEDLO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCN(c2ccc(C#N)nc2)CC1 ZINC000374520482 557894250 /nfs/dbraw/zinc/89/42/50/557894250.db2.gz MWWQLXBDUMTYQP-UHFFFAOYSA-N 1 2 353.382 2.192 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3occ4c3CCOC4)CC2)cc1 ZINC000375629446 558059447 /nfs/dbraw/zinc/05/94/47/558059447.db2.gz HLXBHOJTDBLETB-UHFFFAOYSA-N 1 2 351.406 2.182 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCO[C@@]3(CCCOC3)C2)c1 ZINC000375690921 558068221 /nfs/dbraw/zinc/06/82/21/558068221.db2.gz RLBHWSANHAQTTK-NRFANRHFSA-N 1 2 371.481 2.432 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCO[C@@]3(CCCOC3)C2)c1 ZINC000375690921 558068222 /nfs/dbraw/zinc/06/82/22/558068222.db2.gz RLBHWSANHAQTTK-NRFANRHFSA-N 1 2 371.481 2.432 20 30 FEEDLO Cc1cn2c([nH+]1)CN(C(=O)C1CCN(c3ccc(C#N)cc3F)CC1)CC2 ZINC000376050309 558119606 /nfs/dbraw/zinc/11/96/06/558119606.db2.gz LMPSTWHAQARTKQ-UHFFFAOYSA-N 1 2 367.428 2.461 20 30 FEEDLO CCc1nn(C)c(Cl)c1C[N@@H+]1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000376640390 558201975 /nfs/dbraw/zinc/20/19/75/558201975.db2.gz GEYOUBSAHOVKPW-BUXKBTBVSA-N 1 2 369.856 2.481 20 30 FEEDLO CCc1nn(C)c(Cl)c1C[N@H+]1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000376640390 558201976 /nfs/dbraw/zinc/20/19/76/558201976.db2.gz GEYOUBSAHOVKPW-BUXKBTBVSA-N 1 2 369.856 2.481 20 30 FEEDLO CC[C@@](C)(C#N)C(=O)N1CC[NH+]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000377121993 558270704 /nfs/dbraw/zinc/27/07/04/558270704.db2.gz BCNGXUSLXUOWLX-BEFAXECRSA-N 1 2 364.490 2.080 20 30 FEEDLO Cc1[nH][nH]c(=NC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)c1C#N ZINC000377241543 558296648 /nfs/dbraw/zinc/29/66/48/558296648.db2.gz JTLUFJVAPIUDPV-AWEZNQCLSA-N 1 2 352.442 3.035 20 30 FEEDLO N#Cc1cccc([C@@H]2C[N@H+](Cc3cnc(N4CCOCC4)s3)CCO2)c1 ZINC000377252137 558299056 /nfs/dbraw/zinc/29/90/56/558299056.db2.gz RGJMWJGBRGXVMU-SFHVURJKSA-N 1 2 370.478 2.425 20 30 FEEDLO N#Cc1cccc([C@@H]2C[N@@H+](Cc3cnc(N4CCOCC4)s3)CCO2)c1 ZINC000377252137 558299058 /nfs/dbraw/zinc/29/90/58/558299058.db2.gz RGJMWJGBRGXVMU-SFHVURJKSA-N 1 2 370.478 2.425 20 30 FEEDLO Cc1nnc(NCC[NH+]2CCN(C(=O)C3CCCCC3)CC2)c(C#N)c1C ZINC000522182021 562193574 /nfs/dbraw/zinc/19/35/74/562193574.db2.gz PRJHKTRKTREZKG-UHFFFAOYSA-N 1 2 370.501 2.102 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[NH+]2CC(Cc3cccc(F)c3)C2)nc1 ZINC000377519370 558356379 /nfs/dbraw/zinc/35/63/79/558356379.db2.gz LMLVKKGHIYGVMV-UHFFFAOYSA-N 1 2 359.426 2.041 20 30 FEEDLO N#Cc1ccccc1N1CCCN(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000378115486 558484911 /nfs/dbraw/zinc/48/49/11/558484911.db2.gz SIAYOKSGFHSZHL-INIZCTEOSA-N 1 2 364.453 2.061 20 30 FEEDLO N#Cc1ccccc1N1CCCN(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000378115486 558484914 /nfs/dbraw/zinc/48/49/14/558484914.db2.gz SIAYOKSGFHSZHL-INIZCTEOSA-N 1 2 364.453 2.061 20 30 FEEDLO COC(=O)c1oc(C[N@@H+]2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)cc1C ZINC000378285798 558520193 /nfs/dbraw/zinc/52/01/93/558520193.db2.gz HTTJRBUTRQRFEI-RBZFPXEDSA-N 1 2 365.389 2.220 20 30 FEEDLO COC(=O)c1oc(C[N@H+]2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)cc1C ZINC000378285798 558520194 /nfs/dbraw/zinc/52/01/94/558520194.db2.gz HTTJRBUTRQRFEI-RBZFPXEDSA-N 1 2 365.389 2.220 20 30 FEEDLO N#Cc1ccccc1OCC[N@@H+]1C[C@@H](C#N)[C@]2(C1)C(=O)Nc1ccccc12 ZINC000378294471 558522638 /nfs/dbraw/zinc/52/26/38/558522638.db2.gz VWIXODUXXLPGBG-IERDGZPVSA-N 1 2 358.401 2.283 20 30 FEEDLO N#Cc1ccccc1OCC[N@H+]1C[C@@H](C#N)[C@]2(C1)C(=O)Nc1ccccc12 ZINC000378294471 558522640 /nfs/dbraw/zinc/52/26/40/558522640.db2.gz VWIXODUXXLPGBG-IERDGZPVSA-N 1 2 358.401 2.283 20 30 FEEDLO CC(=O)N1CC[N@@H+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC12CCCCC2 ZINC000408044967 558641191 /nfs/dbraw/zinc/64/11/91/558641191.db2.gz DAMVXJFAZHBEPW-LPHOPBHVSA-N 1 2 362.518 2.296 20 30 FEEDLO CC(=O)N1CC[N@H+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC12CCCCC2 ZINC000408044967 558641194 /nfs/dbraw/zinc/64/11/94/558641194.db2.gz DAMVXJFAZHBEPW-LPHOPBHVSA-N 1 2 362.518 2.296 20 30 FEEDLO C[C@@H](C(=O)N1CC[NH+]([C@@H](C)c2ccc(Cl)cc2)CC1)n1cnc(C#N)n1 ZINC000409752148 558718359 /nfs/dbraw/zinc/71/83/59/558718359.db2.gz HQVMPNYSZGAFDX-KBPBESRZSA-N 1 2 372.860 2.270 20 30 FEEDLO N#Cc1ncc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc1Cl ZINC000411028487 558833113 /nfs/dbraw/zinc/83/31/13/558833113.db2.gz HFGNVRINRMCJEP-KRWDZBQOSA-N 1 2 356.813 2.446 20 30 FEEDLO N#Cc1ncc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1Cl ZINC000411028487 558833115 /nfs/dbraw/zinc/83/31/15/558833115.db2.gz HFGNVRINRMCJEP-KRWDZBQOSA-N 1 2 356.813 2.446 20 30 FEEDLO N#Cc1ccnc(N2CC[NH+]([C@@H]3CCN(c4ccc(F)cc4)C3=O)CC2)c1 ZINC000411168967 558847867 /nfs/dbraw/zinc/84/78/67/558847867.db2.gz RLZFVLIDKFXNIW-GOSISDBHSA-N 1 2 365.412 2.020 20 30 FEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CC[C@@]2(C1)CC(=O)c1ccccc1O2 ZINC000411990417 559000012 /nfs/dbraw/zinc/00/00/12/559000012.db2.gz SPDIAZXQBPWHDA-YWZLYKJASA-N 1 2 355.438 2.104 20 30 FEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CC[C@@]2(C1)CC(=O)c1ccccc1O2 ZINC000411990417 559000013 /nfs/dbraw/zinc/00/00/13/559000013.db2.gz SPDIAZXQBPWHDA-YWZLYKJASA-N 1 2 355.438 2.104 20 30 FEEDLO Cc1nn(C)c(N2CC[NH+](Cc3cnn(-c4ccccc4)c3)CC2)c1C#N ZINC000526074228 562266113 /nfs/dbraw/zinc/26/61/13/562266113.db2.gz UKSATYWWDIMEHP-UHFFFAOYSA-N 1 2 361.453 2.108 20 30 FEEDLO C[C@H](O)[C@H]1CCN(c2cc(NCCOc3ccc(C#N)cc3)[nH+]cn2)C1 ZINC000413174749 559085407 /nfs/dbraw/zinc/08/54/07/559085407.db2.gz QEXQFXAXLBDJPV-HOCLYGCPSA-N 1 2 353.426 2.046 20 30 FEEDLO C[C@H](O)[C@H]1CCN(c2cc(NCCOc3ccc(C#N)cc3)nc[nH+]2)C1 ZINC000413174749 559085408 /nfs/dbraw/zinc/08/54/08/559085408.db2.gz QEXQFXAXLBDJPV-HOCLYGCPSA-N 1 2 353.426 2.046 20 30 FEEDLO CC(C)c1ccc([C@]2(C)CC(=O)N(C[C@@H](O)C[N@H+](C)CCC#N)C2=O)cc1 ZINC000414120846 559150071 /nfs/dbraw/zinc/15/00/71/559150071.db2.gz DVNAZHBKWFRZGU-RXVVDRJESA-N 1 2 371.481 2.033 20 30 FEEDLO CC(C)c1ccc([C@]2(C)CC(=O)N(C[C@@H](O)C[N@@H+](C)CCC#N)C2=O)cc1 ZINC000414120846 559150072 /nfs/dbraw/zinc/15/00/72/559150072.db2.gz DVNAZHBKWFRZGU-RXVVDRJESA-N 1 2 371.481 2.033 20 30 FEEDLO C[C@H](CNS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1)Cn1cc[nH+]c1 ZINC000414467059 559166434 /nfs/dbraw/zinc/16/64/34/559166434.db2.gz IDLZTOZJFWVMPM-LLVKDONJSA-N 1 2 372.372 2.388 20 30 FEEDLO N#Cc1cccnc1OC1CCC(NC(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000527114165 562276871 /nfs/dbraw/zinc/27/68/71/562276871.db2.gz SKLIZTUGEUCGAR-NXVRBGIVSA-N 1 2 365.437 2.219 20 30 FEEDLO Cc1cc(NC(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)c(C#N)cc1N(C)C ZINC000417165675 559350847 /nfs/dbraw/zinc/35/08/47/559350847.db2.gz WFRHTZBOVXCSCG-RDJZCZTQSA-N 1 2 371.485 2.260 20 30 FEEDLO C=CCC[C@@H]1NC(=O)N([C@@H](c2[nH+]ccn2C)c2ccc(OC)cc2)C1=O ZINC000419930362 559465264 /nfs/dbraw/zinc/46/52/64/559465264.db2.gz YABNWFKTKVJCAT-JKSUJKDBSA-N 1 2 354.410 2.405 20 30 FEEDLO C=CCC[C@H]1NC(=O)N(Cc2cn3cc(Br)ccc3[nH+]2)C1=O ZINC000419934334 559465361 /nfs/dbraw/zinc/46/53/61/559465361.db2.gz HIKGHTUFECVYLC-GFCCVEGCSA-N 1 2 363.215 2.483 20 30 FEEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1Cc2ccc(OC)cc2OC(C)(C)C1 ZINC000421033580 559520928 /nfs/dbraw/zinc/52/09/28/559520928.db2.gz FVUMEUMGBOTHEN-CYBMUJFWSA-N 1 2 361.442 2.069 20 30 FEEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1Cc2ccc(OC)cc2OC(C)(C)C1 ZINC000421033580 559520929 /nfs/dbraw/zinc/52/09/29/559520929.db2.gz FVUMEUMGBOTHEN-CYBMUJFWSA-N 1 2 361.442 2.069 20 30 FEEDLO CCOC(=O)c1c(NC(=O)N(C)CCCn2cc[nH+]c2)c(C#N)cn1CC ZINC000421174103 559528740 /nfs/dbraw/zinc/52/87/40/559528740.db2.gz NCMXCUJLMXDAAL-UHFFFAOYSA-N 1 2 372.429 2.307 20 30 FEEDLO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)NCc1ccc[nH+]c1N(C)C ZINC000421522376 559544282 /nfs/dbraw/zinc/54/42/82/559544282.db2.gz ZMOWLBLZZIHUPT-GOSISDBHSA-N 1 2 366.465 2.067 20 30 FEEDLO COc1cccc(CC(=O)N2CCN(c3cc(C)[nH+]cc3C#N)CC2)c1 ZINC000425218362 559692054 /nfs/dbraw/zinc/69/20/54/559692054.db2.gz XWROBSGKKMKKSD-UHFFFAOYSA-N 1 2 350.422 2.162 20 30 FEEDLO Cc1cc(N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)c(C#N)c[nH+]1 ZINC000425237325 559692836 /nfs/dbraw/zinc/69/28/36/559692836.db2.gz RRROPMLKBBRLFS-UHFFFAOYSA-N 1 2 351.366 2.132 20 30 FEEDLO Cc1ncc(S(=O)(=O)N(CC(F)(F)F)c2cc[nH+]cc2)cc1C#N ZINC000427785974 559762606 /nfs/dbraw/zinc/76/26/06/559762606.db2.gz CDKNENMHKCHZFE-UHFFFAOYSA-N 1 2 356.329 2.414 20 30 FEEDLO C=C[C@H]1CCCCN1C(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000428043960 559768321 /nfs/dbraw/zinc/76/83/21/559768321.db2.gz QUPLMCQFPCQVQO-KRWDZBQOSA-N 1 2 356.470 2.078 20 30 FEEDLO CN([C@@H](c1[nH]cc[nH+]1)c1ccccc1)S(=O)(=O)c1cncc(C#N)c1 ZINC000432301659 559855822 /nfs/dbraw/zinc/85/58/22/559855822.db2.gz KERGSZBGOIBBIW-MRXNPFEDSA-N 1 2 353.407 2.086 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cnc(-c2ccncc2)s1 ZINC000434980963 559913683 /nfs/dbraw/zinc/91/36/83/559913683.db2.gz CCSAMBDCUHYCJB-UHFFFAOYSA-N 1 2 357.483 2.253 20 30 FEEDLO N#Cc1cccc(NC(=O)CC[N@@H+]2CCC[C@H]2C(=O)Nc2nccs2)c1 ZINC000440642790 560015168 /nfs/dbraw/zinc/01/51/68/560015168.db2.gz AEDWQSZKPCLERX-HNNXBMFYSA-N 1 2 369.450 2.446 20 30 FEEDLO N#Cc1cccc(NC(=O)CC[N@H+]2CCC[C@H]2C(=O)Nc2nccs2)c1 ZINC000440642790 560015169 /nfs/dbraw/zinc/01/51/69/560015169.db2.gz AEDWQSZKPCLERX-HNNXBMFYSA-N 1 2 369.450 2.446 20 30 FEEDLO CC[C@H](NC(=O)[C@H]1CCCN(c2nc(C)ccc2C#N)C1)c1[nH]cc[nH+]1 ZINC000443119039 560071463 /nfs/dbraw/zinc/07/14/63/560071463.db2.gz RAHPJCFZLIGCMO-HOTGVXAUSA-N 1 2 352.442 2.469 20 30 FEEDLO Cc1cc(N2CCN(C(=O)Cc3ccc(C#N)nc3)CC2)nc(C(C)C)[nH+]1 ZINC000527738232 562301976 /nfs/dbraw/zinc/30/19/76/562301976.db2.gz UOENTMQDUTWXPQ-UHFFFAOYSA-N 1 2 364.453 2.066 20 30 FEEDLO CC[C@@H](C)NC(=O)C[NH+]1CCN(c2nc3ccccc3c(C)c2C#N)CC1 ZINC000450247181 560255571 /nfs/dbraw/zinc/25/55/71/560255571.db2.gz SSZHGKXQNQPCJZ-OAHLLOKOSA-N 1 2 365.481 2.452 20 30 FEEDLO C=CCOc1ccc(CC(=O)N(CC2CC2)C[C@H]2C[N@H+](C)CCO2)cc1 ZINC000450910754 560278089 /nfs/dbraw/zinc/27/80/89/560278089.db2.gz QJJZFRHXTZSQDJ-HXUWFJFHSA-N 1 2 358.482 2.363 20 30 FEEDLO C=CCOc1ccc(CC(=O)N(CC2CC2)C[C@H]2C[N@@H+](C)CCO2)cc1 ZINC000450910754 560278090 /nfs/dbraw/zinc/27/80/90/560278090.db2.gz QJJZFRHXTZSQDJ-HXUWFJFHSA-N 1 2 358.482 2.363 20 30 FEEDLO C[C@]1(F)CCC[N@H+](CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C1 ZINC000451113399 560287789 /nfs/dbraw/zinc/28/77/89/560287789.db2.gz JTMXIFDZGCGCFT-QAPCUYQASA-N 1 2 364.490 2.281 20 30 FEEDLO C[C@]1(F)CCC[N@@H+](CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C1 ZINC000451113399 560287790 /nfs/dbraw/zinc/28/77/90/560287790.db2.gz JTMXIFDZGCGCFT-QAPCUYQASA-N 1 2 364.490 2.281 20 30 FEEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CC[C@@](O)(C(F)F)C1 ZINC000451430259 560306677 /nfs/dbraw/zinc/30/66/77/560306677.db2.gz MDLLRPMLTNCJAB-UGSOOPFHSA-N 1 2 367.396 2.032 20 30 FEEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1CC[C@@](O)(C(F)F)C1 ZINC000451430259 560306678 /nfs/dbraw/zinc/30/66/78/560306678.db2.gz MDLLRPMLTNCJAB-UGSOOPFHSA-N 1 2 367.396 2.032 20 30 FEEDLO C[C@H]1CN(CC(F)(F)F)CC[N@H+](CC(=O)NC2(C#N)CCCCC2)C1 ZINC000451879000 560334008 /nfs/dbraw/zinc/33/40/08/560334008.db2.gz OYXFIWKCWTXBCD-CQSZACIVSA-N 1 2 360.424 2.145 20 30 FEEDLO C[C@H]1CN(CC(F)(F)F)CC[N@@H+](CC(=O)NC2(C#N)CCCCC2)C1 ZINC000451879000 560334009 /nfs/dbraw/zinc/33/40/09/560334009.db2.gz OYXFIWKCWTXBCD-CQSZACIVSA-N 1 2 360.424 2.145 20 30 FEEDLO Cc1sc(NC(=O)C[N@@H+]2CC[C@H]([C@H](O)C(F)(F)F)C2)c(C#N)c1C ZINC000451883425 560334538 /nfs/dbraw/zinc/33/45/38/560334538.db2.gz FAMSRBUQTNZZLC-GWCFXTLKSA-N 1 2 361.389 2.420 20 30 FEEDLO Cc1sc(NC(=O)C[N@H+]2CC[C@H]([C@H](O)C(F)(F)F)C2)c(C#N)c1C ZINC000451883425 560334539 /nfs/dbraw/zinc/33/45/39/560334539.db2.gz FAMSRBUQTNZZLC-GWCFXTLKSA-N 1 2 361.389 2.420 20 30 FEEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CC[C@](CO)(COC)C1 ZINC000451929740 560338459 /nfs/dbraw/zinc/33/84/59/560338459.db2.gz QBUZYWBNBIBGNS-SFHVURJKSA-N 1 2 350.484 2.234 20 30 FEEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@](CO)(COC)C1 ZINC000451929740 560338460 /nfs/dbraw/zinc/33/84/60/560338460.db2.gz QBUZYWBNBIBGNS-SFHVURJKSA-N 1 2 350.484 2.234 20 30 FEEDLO CC(C)OCCOC1CC[NH+](CC(=O)Nc2sccc2C#N)CC1 ZINC000451953810 560340427 /nfs/dbraw/zinc/34/04/27/560340427.db2.gz VMKWXLRNYQHBEZ-UHFFFAOYSA-N 1 2 351.472 2.464 20 30 FEEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1sc(C(C)(C)C)cc1C#N ZINC000453592908 560390096 /nfs/dbraw/zinc/39/00/96/560390096.db2.gz ILTQVJQZWNKARG-NSHDSACASA-N 1 2 359.455 2.257 20 30 FEEDLO Cc1cc(C)c(NC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)c(C)[nH+]1 ZINC000455484401 560484027 /nfs/dbraw/zinc/48/40/27/560484027.db2.gz JHVWJMGTUHDBOS-CQSZACIVSA-N 1 2 365.441 2.411 20 30 FEEDLO Cn1cc(C[NH+]2CCN(C(=O)C(C)(C)Cc3ccc(C#N)cc3)CC2)cn1 ZINC000455490659 560484386 /nfs/dbraw/zinc/48/43/86/560484386.db2.gz RBJDYKXDHQXRPA-UHFFFAOYSA-N 1 2 365.481 2.205 20 30 FEEDLO CO[C@@H]([C@H](C)NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CC1 ZINC000455525108 560485662 /nfs/dbraw/zinc/48/56/62/560485662.db2.gz OYKOLEFQXIINKW-KXBFYZLASA-N 1 2 356.470 2.199 20 30 FEEDLO CN1CC[N@H+](C)[C@H](CNC(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)C1 ZINC000455789011 560494765 /nfs/dbraw/zinc/49/47/65/560494765.db2.gz GUNCYCYTOSTBDV-MRXNPFEDSA-N 1 2 359.474 2.103 20 30 FEEDLO CN1CC[N@@H+](C)[C@H](CNC(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)C1 ZINC000455789011 560494766 /nfs/dbraw/zinc/49/47/66/560494766.db2.gz GUNCYCYTOSTBDV-MRXNPFEDSA-N 1 2 359.474 2.103 20 30 FEEDLO Cc1nsc(N2CC[NH+](Cc3cc(=O)[nH]c(C4CC4)n3)CC2)c1C#N ZINC000459519564 560691694 /nfs/dbraw/zinc/69/16/94/560691694.db2.gz GJFRUAAJEZAION-UHFFFAOYSA-N 1 2 356.455 2.018 20 30 FEEDLO CN(C)C(=O)COc1ccccc1C[NH+]1CC(Oc2ccc(C#N)cc2)C1 ZINC000459606797 560697526 /nfs/dbraw/zinc/69/75/26/560697526.db2.gz FXNYFIUSKQYJRN-UHFFFAOYSA-N 1 2 365.433 2.288 20 30 FEEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCc3cccc(Cl)c3C2)CC1 ZINC000459668269 560701131 /nfs/dbraw/zinc/70/11/31/560701131.db2.gz BNIXYPOSVUAHAK-IBGZPJMESA-N 1 2 374.916 2.390 20 30 FEEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCc3cccc(Cl)c3C2)CC1 ZINC000459668269 560701133 /nfs/dbraw/zinc/70/11/33/560701133.db2.gz BNIXYPOSVUAHAK-IBGZPJMESA-N 1 2 374.916 2.390 20 30 FEEDLO C=CCN(Cc1ccccc1)C(=O)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000459995028 560727395 /nfs/dbraw/zinc/72/73/95/560727395.db2.gz MYRZUUXTUMGMGN-LJQANCHMSA-N 1 2 365.433 2.276 20 30 FEEDLO C=C[C@H](CO)NC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000460179038 560737284 /nfs/dbraw/zinc/73/72/84/560737284.db2.gz XBRVQSPIALBVMF-IUODEOHRSA-N 1 2 355.841 2.462 20 30 FEEDLO Cn1c2ccc(NC(=O)C(=O)N[C@@H]3CCC[C@H]3C#N)cc2[nH+]c1C1CC1 ZINC000461780512 560783096 /nfs/dbraw/zinc/78/30/96/560783096.db2.gz ONGPJDWMWLVHIT-GXTWGEPZSA-N 1 2 351.410 2.198 20 30 FEEDLO Cc1ccn2cc(CNC(=O)Nc3cnn(-c4ncccc4C#N)c3)[nH+]c2c1 ZINC000462096558 560796694 /nfs/dbraw/zinc/79/66/94/560796694.db2.gz JUECGPFNWWERRX-UHFFFAOYSA-N 1 2 372.392 2.417 20 30 FEEDLO COC(=O)[C@H]1c2ccccc2CC[N@H+]1C[C@H](O)COc1ccc(C#N)cc1 ZINC000464831081 560852695 /nfs/dbraw/zinc/85/26/95/560852695.db2.gz RKNBYXJHUFFVOD-FXAWDEMLSA-N 1 2 366.417 2.070 20 30 FEEDLO COC(=O)[C@H]1c2ccccc2CC[N@@H+]1C[C@H](O)COc1ccc(C#N)cc1 ZINC000464831081 560852696 /nfs/dbraw/zinc/85/26/96/560852696.db2.gz RKNBYXJHUFFVOD-FXAWDEMLSA-N 1 2 366.417 2.070 20 30 FEEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+](C)Cc1cc(Br)cn1C ZINC000469729717 560963128 /nfs/dbraw/zinc/96/31/28/560963128.db2.gz SPWFDGKFZZQYQB-NSHDSACASA-N 1 2 353.264 2.170 20 30 FEEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)Cc1cc(Br)cn1C ZINC000469729717 560963129 /nfs/dbraw/zinc/96/31/29/560963129.db2.gz SPWFDGKFZZQYQB-NSHDSACASA-N 1 2 353.264 2.170 20 30 FEEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCO[C@](C)(c2cnn(C)c2)C1 ZINC000473039682 561040828 /nfs/dbraw/zinc/04/08/28/561040828.db2.gz WQQFMVSPNNJXDL-CTNGQTDRSA-N 1 2 371.481 2.136 20 30 FEEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCO[C@](C)(c2cnn(C)c2)C1 ZINC000473039682 561040829 /nfs/dbraw/zinc/04/08/29/561040829.db2.gz WQQFMVSPNNJXDL-CTNGQTDRSA-N 1 2 371.481 2.136 20 30 FEEDLO N#CC1(CS(=O)(=O)NCc2[nH+]ccn2CC(F)(F)F)CCCCC1 ZINC000476534187 561121907 /nfs/dbraw/zinc/12/19/07/561121907.db2.gz MVLQXTIFPWWILA-UHFFFAOYSA-N 1 2 364.393 2.339 20 30 FEEDLO CSc1[nH]c(=O)c(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cc1C#N ZINC000476680011 561125997 /nfs/dbraw/zinc/12/59/97/561125997.db2.gz DLYGRTJRXNDLIU-HNNXBMFYSA-N 1 2 356.451 2.413 20 30 FEEDLO COc1cccc([C@H]2C[N@H+](C[C@H](O)COc3ccccc3C#N)CCO2)c1 ZINC000528405524 562327153 /nfs/dbraw/zinc/32/71/53/562327153.db2.gz LOCAOHHDBTWDQJ-GHTZIAJQSA-N 1 2 368.433 2.380 20 30 FEEDLO COc1cccc([C@H]2C[N@@H+](C[C@H](O)COc3ccccc3C#N)CCO2)c1 ZINC000528405524 562327154 /nfs/dbraw/zinc/32/71/54/562327154.db2.gz LOCAOHHDBTWDQJ-GHTZIAJQSA-N 1 2 368.433 2.380 20 30 FEEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCN(c3ccc(Cl)cc3F)C2=O)C1=O ZINC000528498084 562332458 /nfs/dbraw/zinc/33/24/58/562332458.db2.gz UXCOUUITDBSIAU-HZPDHXFCSA-N 1 2 365.836 2.303 20 30 FEEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H]2CCN(c3ccc(Cl)cc3F)C2=O)C1=O ZINC000528498084 562332459 /nfs/dbraw/zinc/33/24/59/562332459.db2.gz UXCOUUITDBSIAU-HZPDHXFCSA-N 1 2 365.836 2.303 20 30 FEEDLO N#Cc1sccc1N1CC[NH+](C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000528546534 562335307 /nfs/dbraw/zinc/33/53/07/562335307.db2.gz AMXVPBMTKGXCKZ-MRXNPFEDSA-N 1 2 368.462 2.053 20 30 FEEDLO C=CCNC(=O)C[NH+]1CCN(Cc2cc(OC)cc(C(F)(F)F)c2)CC1 ZINC000529521720 562376357 /nfs/dbraw/zinc/37/63/57/562376357.db2.gz UJMLSUNIEZTBPF-UHFFFAOYSA-N 1 2 371.403 2.134 20 30 FEEDLO C[C@@H]1CN(c2ccc(CNC(=O)Cc3cccc(C#N)c3)c[nH+]2)C[C@@H](C)O1 ZINC000530908486 562428287 /nfs/dbraw/zinc/42/82/87/562428287.db2.gz VRNWADHCYBYXHV-HZPDHXFCSA-N 1 2 364.449 2.426 20 30 FEEDLO N#Cc1ccc([C@H](C(N)=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1 ZINC000532964258 562493899 /nfs/dbraw/zinc/49/38/99/562493899.db2.gz BLQFFEKWROKXQP-HXRGIAOBSA-N 1 2 360.461 2.416 20 30 FEEDLO CC(C)(C)c1nc(CN2CC[NH+](CCOc3ccccc3C#N)CC2)no1 ZINC000533378598 562506928 /nfs/dbraw/zinc/50/69/28/562506928.db2.gz NEWHIXNUHCBDPT-UHFFFAOYSA-N 1 2 369.469 2.435 20 30 FEEDLO Cn1cc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(C(F)F)n1 ZINC000533659213 562515504 /nfs/dbraw/zinc/51/55/04/562515504.db2.gz TYNXJBCDUBUADG-UHFFFAOYSA-N 1 2 359.380 2.187 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCN3C(=O)CC[C@H]3C2)c1 ZINC000535033983 562548893 /nfs/dbraw/zinc/54/88/93/562548893.db2.gz FZUVRJHECUVQNO-ROUUACIJSA-N 1 2 368.481 2.245 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CCN3C(=O)CC[C@H]3C2)c1 ZINC000535033983 562548894 /nfs/dbraw/zinc/54/88/94/562548894.db2.gz FZUVRJHECUVQNO-ROUUACIJSA-N 1 2 368.481 2.245 20 30 FEEDLO C=C(C)[C@@H](CC(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1)OCC ZINC000535156841 562552323 /nfs/dbraw/zinc/55/23/23/562552323.db2.gz GCGQJAIBCVRZCE-WOJBJXKFSA-N 1 2 360.498 2.417 20 30 FEEDLO C=CCN(C(=O)NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1)C1CC1 ZINC000536800293 562580670 /nfs/dbraw/zinc/58/06/70/562580670.db2.gz GBSLBTMPFCZOOC-UHFFFAOYSA-N 1 2 362.518 2.071 20 30 FEEDLO N#Cc1cccc(-n2ccc(C(=O)NCCc3cn4ccccc4[nH+]3)n2)c1 ZINC000537316065 562589462 /nfs/dbraw/zinc/58/94/62/562589462.db2.gz ONBMCBRWWXZAQA-UHFFFAOYSA-N 1 2 356.389 2.364 20 30 FEEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+](C)[C@H]2CCCCN(C)C2=O)c1C ZINC000601969245 567890127 /nfs/dbraw/zinc/89/01/27/567890127.db2.gz KLVZYERBCOKOBC-IBGZPJMESA-N 1 2 370.497 2.493 20 30 FEEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+](C)[C@H]2CCCCN(C)C2=O)c1C ZINC000601969245 567890128 /nfs/dbraw/zinc/89/01/28/567890128.db2.gz KLVZYERBCOKOBC-IBGZPJMESA-N 1 2 370.497 2.493 20 30 FEEDLO C[C@@H]1C[NH+](CC(=O)N2CCC(Cc3ccccc3)CC2)C[C@@H](C)N1CC#N ZINC000602854938 568002099 /nfs/dbraw/zinc/00/20/99/568002099.db2.gz FFMCRQOLOJCTFH-RTBURBONSA-N 1 2 368.525 2.386 20 30 FEEDLO C[C@@H]1C[N@@H+](CC(=O)N(C)Cc2ccc(Cl)s2)C[C@H](C)N1CC#N ZINC000602857745 568002761 /nfs/dbraw/zinc/00/27/61/568002761.db2.gz UPQOEURBISFRBZ-BETUJISGSA-N 1 2 354.907 2.278 20 30 FEEDLO C[C@@H]1C[N@H+](CC(=O)N(C)Cc2ccc(Cl)s2)C[C@H](C)N1CC#N ZINC000602857745 568002762 /nfs/dbraw/zinc/00/27/62/568002762.db2.gz UPQOEURBISFRBZ-BETUJISGSA-N 1 2 354.907 2.278 20 30 FEEDLO COc1cc(F)c(C[N@@H+]2CCN(c3nccnc3C#N)C[C@H]2C)cc1OC ZINC000568400352 568030614 /nfs/dbraw/zinc/03/06/14/568030614.db2.gz ZCAKACUWPQBOLA-CYBMUJFWSA-N 1 2 371.416 2.215 20 30 FEEDLO COc1cc(F)c(C[N@H+]2CCN(c3nccnc3C#N)C[C@H]2C)cc1OC ZINC000568400352 568030616 /nfs/dbraw/zinc/03/06/16/568030616.db2.gz ZCAKACUWPQBOLA-CYBMUJFWSA-N 1 2 371.416 2.215 20 30 FEEDLO N#CCCN(C(=O)C[N@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1)c1ccccc1 ZINC000602987391 568033893 /nfs/dbraw/zinc/03/38/93/568033893.db2.gz FDEMUEVZLBQXBJ-DZGCQCFKSA-N 1 2 355.360 2.036 20 30 FEEDLO N#CCCN(C(=O)C[N@@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1)c1ccccc1 ZINC000602987391 568033894 /nfs/dbraw/zinc/03/38/94/568033894.db2.gz FDEMUEVZLBQXBJ-DZGCQCFKSA-N 1 2 355.360 2.036 20 30 FEEDLO CN1CCN(c2cc(N[C@H]3CCCc4cc(C#N)ccc43)[nH+]cn2)CC1=O ZINC000568373580 568034685 /nfs/dbraw/zinc/03/46/85/568034685.db2.gz LDNHIYWRVQHBKQ-KRWDZBQOSA-N 1 2 362.437 2.116 20 30 FEEDLO CN1CCN(c2cc(N[C@H]3CCCc4cc(C#N)ccc43)nc[nH+]2)CC1=O ZINC000568373580 568034686 /nfs/dbraw/zinc/03/46/86/568034686.db2.gz LDNHIYWRVQHBKQ-KRWDZBQOSA-N 1 2 362.437 2.116 20 30 FEEDLO COc1ncc(CN(CCC#N)CC[NH+]2CCOCC2)c2ccccc21 ZINC000602780261 568038744 /nfs/dbraw/zinc/03/87/44/568038744.db2.gz FXMUPYCQLOCBQV-UHFFFAOYSA-N 1 2 354.454 2.291 20 30 FEEDLO CCCOc1ccc(CNC(=O)C[NH+]2C[C@H](C)N(CC#N)[C@@H](C)C2)cc1 ZINC000602860476 568049378 /nfs/dbraw/zinc/04/93/78/568049378.db2.gz IMTAAUHPHAXUON-IRXDYDNUSA-N 1 2 358.486 2.010 20 30 FEEDLO C[C@H]1C[NH+](CC(=O)Nc2ccc(OC(F)F)cc2)C[C@H](C)N1CC#N ZINC000602861133 568049609 /nfs/dbraw/zinc/04/96/09/568049609.db2.gz KQAUZQUUQFEOKF-STQMWFEESA-N 1 2 352.385 2.145 20 30 FEEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000603006760 568050091 /nfs/dbraw/zinc/05/00/91/568050091.db2.gz LGPAACVMDCCHJZ-QGZVFWFLSA-N 1 2 370.497 2.241 20 30 FEEDLO C[C@@H]1CN(C(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)C[C@H](C)N1CC#N ZINC000603089509 568059552 /nfs/dbraw/zinc/05/95/52/568059552.db2.gz KCYKRMFCODZAQY-SOLBZPMBSA-N 1 2 351.454 2.376 20 30 FEEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)n1cc(Cn2cc[nH+]c2)nn1 ZINC000603192254 568072213 /nfs/dbraw/zinc/07/22/13/568072213.db2.gz LZRQUXVQRYFNDF-SWKXRBFHSA-N 1 2 355.446 2.015 20 30 FEEDLO Cn1cc[nH+]c1[C@H]1CN(C(=O)NC2C3CC4CC(C3)CC2C4)CCN1C ZINC000330335398 568258818 /nfs/dbraw/zinc/25/88/18/568258818.db2.gz RMDNGRZEEHTKPR-SVXFNXITSA-N 1 2 357.502 2.447 20 30 FEEDLO N#CC1(C(=O)NC[C@@H]2C[C@H](F)C[N@H+]2Cc2cccs2)CCOCC1 ZINC000548350935 571272325 /nfs/dbraw/zinc/27/23/25/571272325.db2.gz QOPVDEHHGAJQGU-KBPBESRZSA-N 1 2 351.447 2.097 20 30 FEEDLO N#CC1(C(=O)NC[C@@H]2C[C@H](F)C[N@@H+]2Cc2cccs2)CCOCC1 ZINC000548350935 571272326 /nfs/dbraw/zinc/27/23/26/571272326.db2.gz QOPVDEHHGAJQGU-KBPBESRZSA-N 1 2 351.447 2.097 20 30 FEEDLO C[C@H]1C[N@H+](Cc2cccc(C#N)c2)CCN1Cc1cccc(-c2nn[nH]n2)c1 ZINC000737196631 598899408 /nfs/dbraw/zinc/89/94/08/598899408.db2.gz VBXOTVWFUNJBRK-INIZCTEOSA-N 1 2 373.464 2.445 20 30 FEEDLO C[C@H]1C[N@@H+](Cc2cccc(C#N)c2)CCN1Cc1cccc(-c2nn[nH]n2)c1 ZINC000737196631 598899410 /nfs/dbraw/zinc/89/94/10/598899410.db2.gz VBXOTVWFUNJBRK-INIZCTEOSA-N 1 2 373.464 2.445 20 30 FEEDLO C[C@H]1CN(Cc2cccc(-c3nn[nH]n3)c2)CC[N@@H+]1Cc1cccc(C#N)c1 ZINC000737196315 598899595 /nfs/dbraw/zinc/89/95/95/598899595.db2.gz FKZDABPZUUGXCN-INIZCTEOSA-N 1 2 373.464 2.445 20 30 FEEDLO C[C@H]1CN(Cc2cccc(-c3nn[nH]n3)c2)CC[N@H+]1Cc1cccc(C#N)c1 ZINC000737196315 598899597 /nfs/dbraw/zinc/89/95/97/598899597.db2.gz FKZDABPZUUGXCN-INIZCTEOSA-N 1 2 373.464 2.445 20 30 FEEDLO N#Cc1ccccc1N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000737727272 598253794 /nfs/dbraw/zinc/25/37/94/598253794.db2.gz IGIWXQKINXYORR-UHFFFAOYSA-N 1 2 363.400 2.200 20 30 FEEDLO N#Cc1ccc([C@@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)C(=O)[O-])cc1 ZINC000739108972 600592024 /nfs/dbraw/zinc/59/20/24/600592024.db2.gz ZDXRSBMTJMEBAW-HXUWFJFHSA-N 1 2 365.433 2.306 20 30 FEEDLO Cn1cc(C[N@@H+]2CCC[C@](C)(C#N)C2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826360700 608126211 /nfs/dbraw/zinc/12/62/11/608126211.db2.gz UUDAPFJIIQCDOH-LJQANCHMSA-N 1 2 362.441 2.393 20 30 FEEDLO Cn1cc(C[N@H+]2CCC[C@](C)(C#N)C2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826360700 608126212 /nfs/dbraw/zinc/12/62/12/608126212.db2.gz UUDAPFJIIQCDOH-LJQANCHMSA-N 1 2 362.441 2.393 20 30 FEEDLO Cc1sc(NC(=O)C[NH+]2CCC(CC#N)CC2)c(-c2nn[nH]n2)c1C ZINC000826349606 609429078 /nfs/dbraw/zinc/42/90/78/609429078.db2.gz NWCJMPGNGWUSMQ-UHFFFAOYSA-N 1 2 359.459 2.109 20 30 FEEDLO C(=NNCc1ccc(-c2nn[nH]n2)cc1)c1cc(-n2cc[nH+]c2)cs1 ZINC000823861900 609468084 /nfs/dbraw/zinc/46/80/84/609468084.db2.gz SNBYPFHLLMFZOT-UHFFFAOYSA-N 1 2 350.411 2.238 20 30 FEEDLO CCN(CCC#N)C(=O)C[NH+]1CCN(c2nccc3sccc32)CC1 ZINC000562894357 674820425 /nfs/dbraw/zinc/82/04/25/674820425.db2.gz OALFOMKQHYZZHG-UHFFFAOYSA-N 1 2 357.483 2.180 20 30 FEEDLO CN(C)c1ncc(C=[NH+]Nc2ccc(S(=O)(=O)C(F)(F)F)cc2)cn1 ZINC000814801007 674881304 /nfs/dbraw/zinc/88/13/04/674881304.db2.gz WWKJFOAZFOZPTI-UHFFFAOYSA-N 1 2 373.360 2.282 20 30 FEEDLO N#Cc1cc(F)cc(OCC(=O)N2CC[NH+](Cc3ccsc3)CC2)c1 ZINC000579995629 671775612 /nfs/dbraw/zinc/77/56/12/671775612.db2.gz UVWYBKWPAGAITF-UHFFFAOYSA-N 1 2 359.426 2.482 20 30 FEEDLO N#CCSc1ccccc1NC(=O)C[NH+]1CCC(OCCCO)CC1 ZINC000610683028 675989215 /nfs/dbraw/zinc/98/92/15/675989215.db2.gz YNLBSGDZGWCMEN-UHFFFAOYSA-N 1 2 363.483 2.104 20 30 FEEDLO CNS(=O)(=O)c1cccc2c1CC[N@H+](Cc1ccc(C#N)cc1C)C2 ZINC000585754085 672230785 /nfs/dbraw/zinc/23/07/85/672230785.db2.gz GQSLYZRUGKEWAD-UHFFFAOYSA-N 1 2 355.463 2.333 20 30 FEEDLO CNS(=O)(=O)c1cccc2c1CC[N@@H+](Cc1ccc(C#N)cc1C)C2 ZINC000585754085 672230788 /nfs/dbraw/zinc/23/07/88/672230788.db2.gz GQSLYZRUGKEWAD-UHFFFAOYSA-N 1 2 355.463 2.333 20 30 FEEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCc1ccc(C#N)c(Cl)c1 ZINC000588192295 672456506 /nfs/dbraw/zinc/45/65/06/672456506.db2.gz BXTLZSRJXSIHKW-BBRMVZONSA-N 1 2 362.861 2.216 20 30 FEEDLO C[C@H](SCc1nc(C#N)cs1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000591411784 672679417 /nfs/dbraw/zinc/67/94/17/672679417.db2.gz QBGGQLGQZYADTP-ZDUSSCGKSA-N 1 2 373.507 2.380 20 30 FEEDLO C#CCSCCNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000245672146 672822753 /nfs/dbraw/zinc/82/27/53/672822753.db2.gz KHJDXBZEIZSHED-JKSUJKDBSA-N 1 2 353.438 2.376 20 30 FEEDLO C#CCSCCNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000245672146 672822755 /nfs/dbraw/zinc/82/27/55/672822755.db2.gz KHJDXBZEIZSHED-JKSUJKDBSA-N 1 2 353.438 2.376 20 30 FEEDLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N[C@@H]1CCCS(=O)(=O)C1 ZINC000329273702 673074619 /nfs/dbraw/zinc/07/46/19/673074619.db2.gz ATXZOMRNFUQYBH-GFCCVEGCSA-N 1 2 372.516 2.032 20 30 FEEDLO N#Cc1cc(F)c(S(=O)(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)c(F)c1 ZINC000594485093 673089318 /nfs/dbraw/zinc/08/93/18/673089318.db2.gz WCIXOFMHLHIGDK-LSDHHAIUSA-N 1 2 355.410 2.132 20 30 FEEDLO N#Cc1cc(F)c(S(=O)(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)c(F)c1 ZINC000594485093 673089325 /nfs/dbraw/zinc/08/93/25/673089325.db2.gz WCIXOFMHLHIGDK-LSDHHAIUSA-N 1 2 355.410 2.132 20 30 FEEDLO N#Cc1cc(F)c(S(=O)(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c(F)c1 ZINC000594485090 673089375 /nfs/dbraw/zinc/08/93/75/673089375.db2.gz WCIXOFMHLHIGDK-CABCVRRESA-N 1 2 355.410 2.132 20 30 FEEDLO N#Cc1cc(F)c(S(=O)(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)c(F)c1 ZINC000594485090 673089380 /nfs/dbraw/zinc/08/93/80/673089380.db2.gz WCIXOFMHLHIGDK-CABCVRRESA-N 1 2 355.410 2.132 20 30 FEEDLO O=c1[nH]ncc(N[NH+]=Cc2ccc(N3CCOCC3)c(F)c2)c1Cl ZINC000727255133 673162730 /nfs/dbraw/zinc/16/27/30/673162730.db2.gz DGGKKBIGJZBNQN-UHFFFAOYSA-N 1 2 351.769 2.257 20 30 FEEDLO N#Cc1sccc1N1CCN(C(=O)NCCCCn2cc[nH+]c2)CC1 ZINC000595464639 673254207 /nfs/dbraw/zinc/25/42/07/673254207.db2.gz DFZUUJAJFBPCMB-UHFFFAOYSA-N 1 2 358.471 2.128 20 30 FEEDLO Cc1cc(N(CCC#N)C(=O)C[N@H+](C)C[C@H]2COCCO2)ccc1Cl ZINC000595735647 673286987 /nfs/dbraw/zinc/28/69/87/673286987.db2.gz CAGPKSCDDCHHRU-INIZCTEOSA-N 1 2 365.861 2.242 20 30 FEEDLO Cc1cc(N(CCC#N)C(=O)C[N@@H+](C)C[C@H]2COCCO2)ccc1Cl ZINC000595735647 673286992 /nfs/dbraw/zinc/28/69/92/673286992.db2.gz CAGPKSCDDCHHRU-INIZCTEOSA-N 1 2 365.861 2.242 20 30 FEEDLO N#Cc1cc2cccnc2nc1NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000596088306 673357700 /nfs/dbraw/zinc/35/77/00/673357700.db2.gz KMOLSEYFCDKQPI-GOSISDBHSA-N 1 2 355.467 2.121 20 30 FEEDLO CNS(=O)(=O)CC[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000598596258 673587589 /nfs/dbraw/zinc/58/75/89/673587589.db2.gz YOEZVJWNNAWGGN-UHFFFAOYSA-N 1 2 361.442 2.249 20 30 FEEDLO CNS(=O)(=O)CC[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000598596258 673587591 /nfs/dbraw/zinc/58/75/91/673587591.db2.gz YOEZVJWNNAWGGN-UHFFFAOYSA-N 1 2 361.442 2.249 20 30 FEEDLO CCOC(=O)c1sc([C@H](C)[NH2+]CC(=O)N[C@@](C)(C#N)C2CC2)nc1C ZINC000542623315 673593744 /nfs/dbraw/zinc/59/37/44/673593744.db2.gz VCKJUIHYEMYMAW-GTNSWQLSSA-N 1 2 364.471 2.087 20 30 FEEDLO COc1ccc(C[N@@H+]2CC[C@@H]2CNS(=O)(=O)CC(C)(C)CC#N)cc1 ZINC000599409206 673671466 /nfs/dbraw/zinc/67/14/66/673671466.db2.gz ICNDVCCPQFBOQU-MRXNPFEDSA-N 1 2 365.499 2.129 20 30 FEEDLO COc1ccc(C[N@H+]2CC[C@@H]2CNS(=O)(=O)CC(C)(C)CC#N)cc1 ZINC000599409206 673671469 /nfs/dbraw/zinc/67/14/69/673671469.db2.gz ICNDVCCPQFBOQU-MRXNPFEDSA-N 1 2 365.499 2.129 20 30 FEEDLO COCCCNC(=S)NN=C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000741458100 673687476 /nfs/dbraw/zinc/68/74/76/673687476.db2.gz XWPXVESNWZQBCT-UHFFFAOYSA-N 1 2 363.531 2.209 20 30 FEEDLO Cc1nsc(NC(=O)NCCNc2cc(C)[nH+]c(C(C)C)n2)c1C#N ZINC000599785900 673717065 /nfs/dbraw/zinc/71/70/65/673717065.db2.gz DRCPNPOMSDRFBC-UHFFFAOYSA-N 1 2 359.459 2.779 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@@H]3C[C@H]3C(F)(F)F)CC2)cc1 ZINC000601654819 673891411 /nfs/dbraw/zinc/89/14/11/673891411.db2.gz CWYYTGZGIKIJBE-HUUCEWRRSA-N 1 2 352.360 2.336 20 30 FEEDLO N#Cc1cc(S(=O)(=O)N[C@H]2CCn3c[nH+]cc3C2)ccc1C(F)(F)F ZINC000601968545 673900641 /nfs/dbraw/zinc/90/06/41/673900641.db2.gz NARBMLIBDSZQQF-NSHDSACASA-N 1 2 370.356 2.067 20 30 FEEDLO COc1cc(OC)c(NC[C@@H](O)C[N@H+](C)CCC#N)cc1Br ZINC000819474566 675293224 /nfs/dbraw/zinc/29/32/24/675293224.db2.gz ZWIHOSODBTZSCA-LLVKDONJSA-N 1 2 372.263 2.085 20 30 FEEDLO COc1cc(OC)c(NC[C@@H](O)C[N@@H+](C)CCC#N)cc1Br ZINC000819474566 675293226 /nfs/dbraw/zinc/29/32/26/675293226.db2.gz ZWIHOSODBTZSCA-LLVKDONJSA-N 1 2 372.263 2.085 20 30 FEEDLO C[N@@H+]1CC[C@H](NC(=O)N2CC[C@@](F)(C#N)C2)[C@H]1c1ccc(F)c(F)c1 ZINC000615547687 676219214 /nfs/dbraw/zinc/21/92/14/676219214.db2.gz VVOZGQIHIVWVJR-ZMSDIMECSA-N 1 2 352.360 2.357 20 30 FEEDLO C[N@H+]1CC[C@H](NC(=O)N2CC[C@@](F)(C#N)C2)[C@H]1c1ccc(F)c(F)c1 ZINC000615547687 676219217 /nfs/dbraw/zinc/21/92/17/676219217.db2.gz VVOZGQIHIVWVJR-ZMSDIMECSA-N 1 2 352.360 2.357 20 30 FEEDLO C[C@@H](NC(=O)NCc1ccc(C#N)c(Cl)c1)[C@H](C)[NH+]1CCOCC1 ZINC000619758850 676393742 /nfs/dbraw/zinc/39/37/42/676393742.db2.gz PXTAPNPINWKTIY-OLZOCXBDSA-N 1 2 350.850 2.120 20 30 FEEDLO CC#CC[NH2+]Cc1cn(CC(=O)Nc2ccc(Cl)cc2Cl)nn1 ZINC000640764175 677188183 /nfs/dbraw/zinc/18/81/83/677188183.db2.gz NOEGNKMWAURVRN-UHFFFAOYSA-N 1 2 352.225 2.337 20 30 FEEDLO CC#CC[NH2+]Cc1cn(C[C@H](O)CO[C@@H](C)c2ccc(Cl)cc2)nn1 ZINC000641203990 677196754 /nfs/dbraw/zinc/19/67/54/677196754.db2.gz UQVBYTLXMARPJQ-KSSFIOAISA-N 1 2 362.861 2.183 20 30 FEEDLO C=CC[N@H+](CC(=O)Nc1cc(Cl)ccc1-n1cncn1)[C@H](C)COC ZINC000661241683 678456979 /nfs/dbraw/zinc/45/69/79/678456979.db2.gz AJESYUOJEMGSNA-CYBMUJFWSA-N 1 2 363.849 2.382 20 30 FEEDLO C=CC[N@@H+](CC(=O)Nc1cc(Cl)ccc1-n1cncn1)[C@H](C)COC ZINC000661241683 678456983 /nfs/dbraw/zinc/45/69/83/678456983.db2.gz AJESYUOJEMGSNA-CYBMUJFWSA-N 1 2 363.849 2.382 20 30 FEEDLO C=CCn1c(-c2cnccn2)nn(C[N@H+](CC)C[C@@H]2CCOC2)c1=S ZINC000765010055 680827112 /nfs/dbraw/zinc/82/71/12/680827112.db2.gz OQVGTVULQHUASR-AWEZNQCLSA-N 1 2 360.487 2.373 20 30 FEEDLO C=CCn1c(-c2cnccn2)nn(C[N@@H+](CC)C[C@@H]2CCOC2)c1=S ZINC000765010055 680827113 /nfs/dbraw/zinc/82/71/13/680827113.db2.gz OQVGTVULQHUASR-AWEZNQCLSA-N 1 2 360.487 2.373 20 30 FEEDLO N#Cc1cccc([C@H](NC(=O)/C=C/C[NH+]2CCOCC2)C(F)(F)F)c1 ZINC000831095588 679921909 /nfs/dbraw/zinc/92/19/09/679921909.db2.gz INJCKPQIBXNIRL-AUYOJAJCSA-N 1 2 353.344 2.166 20 30 FEEDLO N#Cc1cccc([C@H](NC(=O)/C=C\C[NH+]2CCOCC2)C(F)(F)F)c1 ZINC000831095587 679922059 /nfs/dbraw/zinc/92/20/59/679922059.db2.gz INJCKPQIBXNIRL-ASKPUQFJSA-N 1 2 353.344 2.166 20 30 FEEDLO [NH3+][C@H](CC(=O)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1)C(F)F ZINC000912065884 685309009 /nfs/dbraw/zinc/30/90/09/685309009.db2.gz QBEZWYCGHPWXFR-ZCFIWIBFSA-N 1 2 373.272 2.013 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1Cc1csnc1OC ZINC001024661865 680299334 /nfs/dbraw/zinc/29/93/34/680299334.db2.gz PVAALKWUZYWMRC-XHSDSOJGSA-N 1 2 365.499 2.214 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1csnc1OC ZINC001024661865 680299336 /nfs/dbraw/zinc/29/93/36/680299336.db2.gz PVAALKWUZYWMRC-XHSDSOJGSA-N 1 2 365.499 2.214 20 30 FEEDLO C=C(Br)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccnn1C ZINC001028039429 680368004 /nfs/dbraw/zinc/36/80/04/680368004.db2.gz LWKDGYUZSSZDKU-BFHYXJOUSA-N 1 2 367.291 2.013 20 30 FEEDLO C=C(Br)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccnn1C ZINC001028039429 680368006 /nfs/dbraw/zinc/36/80/06/680368006.db2.gz LWKDGYUZSSZDKU-BFHYXJOUSA-N 1 2 367.291 2.013 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1C[NH+](Cc2ccc(F)c(F)c2)C1 ZINC001031678745 680405814 /nfs/dbraw/zinc/40/58/14/680405814.db2.gz UABMTJSDZVQSSH-QAPCUYQASA-N 1 2 350.409 2.494 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@@H]1CC[N@H+](CC(=C)Br)C1 ZINC001033960299 680428983 /nfs/dbraw/zinc/42/89/83/680428983.db2.gz QEYGMJIDLLCFTH-KFWWJZLASA-N 1 2 357.292 2.409 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@@H]1CC[N@@H+](CC(=C)Br)C1 ZINC001033960299 680428988 /nfs/dbraw/zinc/42/89/88/680428988.db2.gz QEYGMJIDLLCFTH-KFWWJZLASA-N 1 2 357.292 2.409 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](Cc2csnc2OC)C1 ZINC001034409467 680435593 /nfs/dbraw/zinc/43/55/93/680435593.db2.gz UKLANEXZIBHPBH-XHSDSOJGSA-N 1 2 365.499 2.214 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](Cc2csnc2OC)C1 ZINC001034409467 680435599 /nfs/dbraw/zinc/43/55/99/680435599.db2.gz UKLANEXZIBHPBH-XHSDSOJGSA-N 1 2 365.499 2.214 20 30 FEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)C1 ZINC001035497358 680448077 /nfs/dbraw/zinc/44/80/77/680448077.db2.gz VARPCMKEZULUBD-RRFJBIMHSA-N 1 2 350.409 2.461 20 30 FEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)C1 ZINC001035497358 680448082 /nfs/dbraw/zinc/44/80/82/680448082.db2.gz VARPCMKEZULUBD-RRFJBIMHSA-N 1 2 350.409 2.461 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC1CC[NH+](Cc2cnc(Cl)s2)CC1 ZINC001003649515 680538078 /nfs/dbraw/zinc/53/80/78/680538078.db2.gz LNTDRBMOSQTULT-KGLIPLIRSA-N 1 2 355.891 2.468 20 30 FEEDLO C=C(Br)C[NH+]1CCC(C)(NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC001045506485 680632384 /nfs/dbraw/zinc/63/23/84/680632384.db2.gz OYOWTJHDGAJSFT-SEBNEYGDSA-N 1 2 369.303 2.289 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC1(C)CC[NH+](CC(=C)Br)CC1 ZINC001045560020 680634359 /nfs/dbraw/zinc/63/43/59/680634359.db2.gz NENNNBAWYCMOHW-KGLIPLIRSA-N 1 2 357.292 2.457 20 30 FEEDLO CC(C)(C)n1nnnc1CO[NH+]=C(N)c1ccc(Br)cc1 ZINC000766063969 680865072 /nfs/dbraw/zinc/86/50/72/680865072.db2.gz HSVSJEXOTIWXPI-UHFFFAOYSA-N 1 2 353.224 2.028 20 30 FEEDLO Cc1nn(-c2ccc(Br)cc2)c(C)c1C=NNC1=[NH+]CCN1 ZINC000841660351 680904962 /nfs/dbraw/zinc/90/49/62/680904962.db2.gz XIENQGPXXFUWEZ-UHFFFAOYSA-N 1 2 361.247 2.134 20 30 FEEDLO CSCCNC(=S)N[NH+]=Cc1ccccc1N1CCO[C@H](C)C1 ZINC000769604418 680988790 /nfs/dbraw/zinc/98/87/90/680988790.db2.gz JRBSTWUZDXWVGZ-CYBMUJFWSA-N 1 2 352.529 2.073 20 30 FEEDLO COC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000844330237 681051764 /nfs/dbraw/zinc/05/17/64/681051764.db2.gz NMWCFOGYJOLWCQ-AWEZNQCLSA-N 1 2 357.288 2.394 20 30 FEEDLO COC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000844330237 681051766 /nfs/dbraw/zinc/05/17/66/681051766.db2.gz NMWCFOGYJOLWCQ-AWEZNQCLSA-N 1 2 357.288 2.394 20 30 FEEDLO C=C(Cl)CN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3ccco3)C2)CC1 ZINC001052091688 681071242 /nfs/dbraw/zinc/07/12/42/681071242.db2.gz JXHQQRPOCSLXHD-GVDBMIGSSA-N 1 2 363.889 2.354 20 30 FEEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3ccc(C)s3)C2)CC1 ZINC001052093135 681071245 /nfs/dbraw/zinc/07/12/45/681071245.db2.gz JQLXZBFONMOQAE-RCCFBDPRSA-N 1 2 357.523 2.012 20 30 FEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCOC2(C[NH+](CC[C@H](C)F)C2)C1 ZINC001053464230 681098412 /nfs/dbraw/zinc/09/84/12/681098412.db2.gz HCNZCRGKNHMVGG-ULQDDVLXSA-N 1 2 354.466 2.019 20 30 FEEDLO C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1CNc1snc(Cl)c1C#N ZINC001054439548 681109541 /nfs/dbraw/zinc/10/95/41/681109541.db2.gz QQYXBOIJYHDUFL-NXEZZACHSA-N 1 2 364.862 2.140 20 30 FEEDLO CNC(=O)c1cccc(NC(=O)[C@@H](C)[N@H+](C)Cc2cc(C#N)cs2)c1 ZINC000933776299 681466961 /nfs/dbraw/zinc/46/69/61/681466961.db2.gz AJIYCBVXQHTSAU-GFCCVEGCSA-N 1 2 356.451 2.438 20 30 FEEDLO CNC(=O)c1cccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2cc(C#N)cs2)c1 ZINC000933776299 681466964 /nfs/dbraw/zinc/46/69/64/681466964.db2.gz AJIYCBVXQHTSAU-GFCCVEGCSA-N 1 2 356.451 2.438 20 30 FEEDLO COc1cc(C=NNCCCn2cc[nH+]c2)c(Br)cc1O ZINC000848417926 681537098 /nfs/dbraw/zinc/53/70/98/681537098.db2.gz GVDXPCDSMDFVFT-UHFFFAOYSA-N 1 2 353.220 2.374 20 30 FEEDLO COC(=O)c1ccc(C=NNCCCn2cc[nH+]c2)c(Br)c1 ZINC000848417122 681537111 /nfs/dbraw/zinc/53/71/11/681537111.db2.gz LTVUHUHLCOCVHW-UHFFFAOYSA-N 1 2 365.231 2.446 20 30 FEEDLO CC(C)(C#N)CS(=O)(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000914077111 685493582 /nfs/dbraw/zinc/49/35/82/685493582.db2.gz XIAKWISWWHOZTN-UHFFFAOYSA-N 1 2 350.488 2.431 20 30 FEEDLO C[C@@H]1CCN(S(=O)(=O)Cc2csc(C#N)c2)C[C@@H]1n1cc[nH+]c1 ZINC000914248416 685500743 /nfs/dbraw/zinc/50/07/43/685500743.db2.gz QHFYJSDPFPZZPT-DOMZBBRYSA-N 1 2 350.469 2.229 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cnns2)CC1(C)C ZINC000940754337 682080197 /nfs/dbraw/zinc/08/01/97/682080197.db2.gz WETNHMJJYUKUEO-PMPSAXMXSA-N 1 2 364.515 2.236 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2cnns2)CC1(C)C ZINC000940754337 682080198 /nfs/dbraw/zinc/08/01/98/682080198.db2.gz WETNHMJJYUKUEO-PMPSAXMXSA-N 1 2 364.515 2.236 20 30 FEEDLO C#C[C@@H](NC(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1)[C@@H]1CCCO1 ZINC000785894208 682334908 /nfs/dbraw/zinc/33/49/08/682334908.db2.gz OLTWYGSAFWVJCJ-MSOLQXFVSA-N 1 2 361.873 2.178 20 30 FEEDLO C#C[C@@H](NC(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1)[C@@H]1CCCO1 ZINC000785894208 682334913 /nfs/dbraw/zinc/33/49/13/682334913.db2.gz OLTWYGSAFWVJCJ-MSOLQXFVSA-N 1 2 361.873 2.178 20 30 FEEDLO C[N@@H+]1CCN(c2nc(C#N)c(Cl)s2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000853447310 682414611 /nfs/dbraw/zinc/41/46/11/682414611.db2.gz DWGIGRJAGIAARE-SNVBAGLBSA-N 1 2 371.894 2.313 20 30 FEEDLO C[N@H+]1CCN(c2nc(C#N)c(Cl)s2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000853447310 682414614 /nfs/dbraw/zinc/41/46/14/682414614.db2.gz DWGIGRJAGIAARE-SNVBAGLBSA-N 1 2 371.894 2.313 20 30 FEEDLO C#CCCCOc1ccc[nH+]c1NC[C@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000853616119 682445712 /nfs/dbraw/zinc/44/57/12/682445712.db2.gz SLPGMDOPXFDVST-HZPDHXFCSA-N 1 2 365.499 2.394 20 30 FEEDLO C#CCn1ccc(C[N@H+](CCOC)C[C@@H](O)c2ccc(Cl)c(F)c2)n1 ZINC000789323839 682593489 /nfs/dbraw/zinc/59/34/89/682593489.db2.gz USSWNKYHQVWFKL-GOSISDBHSA-N 1 2 365.836 2.491 20 30 FEEDLO C#CCn1ccc(C[N@@H+](CCOC)C[C@@H](O)c2ccc(Cl)c(F)c2)n1 ZINC000789323839 682593493 /nfs/dbraw/zinc/59/34/93/682593493.db2.gz USSWNKYHQVWFKL-GOSISDBHSA-N 1 2 365.836 2.491 20 30 FEEDLO CCC(C#N)(CC)C(=O)OCC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000860198082 683214852 /nfs/dbraw/zinc/21/48/52/683214852.db2.gz RWXYKGAZOJFVAM-UHFFFAOYSA-N 1 2 363.483 2.265 20 30 FEEDLO C[NH+](C)Cc1csc(CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)n1 ZINC000927769862 683309342 /nfs/dbraw/zinc/30/93/42/683309342.db2.gz WLJWBFOSPUQSLX-KRWDZBQOSA-N 1 2 366.487 2.083 20 30 FEEDLO C[N@H+](CCC#N)C[C@H](O)c1ccc2c(c1)CN(C(=O)C(F)(F)F)CC2 ZINC000929810159 683642317 /nfs/dbraw/zinc/64/23/17/683642317.db2.gz YAIMFGJZOCMLMY-HNNXBMFYSA-N 1 2 355.360 2.012 20 30 FEEDLO C[N@@H+](CCC#N)C[C@H](O)c1ccc2c(c1)CN(C(=O)C(F)(F)F)CC2 ZINC000929810159 683642319 /nfs/dbraw/zinc/64/23/19/683642319.db2.gz YAIMFGJZOCMLMY-HNNXBMFYSA-N 1 2 355.360 2.012 20 30 FEEDLO CS(=O)(=O)CC[NH+]1CCC(Nc2ncc(C#N)c3ccsc32)CC1 ZINC000865531279 683994143 /nfs/dbraw/zinc/99/41/43/683994143.db2.gz MNKSMCQHRRJRAC-UHFFFAOYSA-N 1 2 364.496 2.089 20 30 FEEDLO NS(=O)(=O)C[C@@H]1CCCC[N@@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000931231763 684246335 /nfs/dbraw/zinc/24/63/35/684246335.db2.gz JWEMEIFOQWFATR-HNNXBMFYSA-N 1 2 360.401 2.200 20 30 FEEDLO NS(=O)(=O)C[C@@H]1CCCC[N@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000931231763 684246340 /nfs/dbraw/zinc/24/63/40/684246340.db2.gz JWEMEIFOQWFATR-HNNXBMFYSA-N 1 2 360.401 2.200 20 30 FEEDLO CC(C)(C)OC(=O)N[C@H]1C[N@H+](C[C@H](O)CC#N)CC[C@@H]1C(F)(F)F ZINC000931982477 684381479 /nfs/dbraw/zinc/38/14/79/684381479.db2.gz SHDMWCAWRNTQRA-WOPDTQHZSA-N 1 2 351.369 2.038 20 30 FEEDLO CC(C)(C)OC(=O)N[C@H]1C[N@@H+](C[C@H](O)CC#N)CC[C@@H]1C(F)(F)F ZINC000931982477 684381481 /nfs/dbraw/zinc/38/14/81/684381481.db2.gz SHDMWCAWRNTQRA-WOPDTQHZSA-N 1 2 351.369 2.038 20 30 FEEDLO C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000868968039 684565007 /nfs/dbraw/zinc/56/50/07/684565007.db2.gz ZUUUQFRPIYJTDH-QMTHXVAHSA-N 1 2 352.316 2.403 20 30 FEEDLO C[C@@]1(C(F)(F)F)CC[N@@H+]([C@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C1 ZINC000871598965 684832595 /nfs/dbraw/zinc/83/25/95/684832595.db2.gz FSQYLMWFBBZANR-XJKSGUPXSA-N 1 2 351.328 2.464 20 30 FEEDLO C[C@@]1(C(F)(F)F)CC[N@H+]([C@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C1 ZINC000871598965 684832599 /nfs/dbraw/zinc/83/25/99/684832599.db2.gz FSQYLMWFBBZANR-XJKSGUPXSA-N 1 2 351.328 2.464 20 30 FEEDLO C=CC[C@@H](C(=O)OC)N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000877915595 686481561 /nfs/dbraw/zinc/48/15/61/686481561.db2.gz XAZRXSOOTYJBNJ-INIZCTEOSA-N 1 2 352.862 2.454 20 30 FEEDLO C=CC[C@@H](C(=O)OC)[N@@H+]1CCCN(Cc2csc([C@H](C)OC)n2)CC1 ZINC000878178212 686535568 /nfs/dbraw/zinc/53/55/68/686535568.db2.gz KNZIQEWNWRTSOK-HOCLYGCPSA-N 1 2 367.515 2.476 20 30 FEEDLO C=CC[C@@H](C(=O)OC)[N@H+]1CCCN(Cc2csc([C@H](C)OC)n2)CC1 ZINC000878178212 686535569 /nfs/dbraw/zinc/53/55/69/686535569.db2.gz KNZIQEWNWRTSOK-HOCLYGCPSA-N 1 2 367.515 2.476 20 30 FEEDLO C[C@@H]1C[NH+](C[C@@H](O)c2ccccc2Br)C[C@@H](C)N1CC#N ZINC000878772108 686655523 /nfs/dbraw/zinc/65/55/23/686655523.db2.gz FOWJAOKEXNVAQX-XJKCOSOUSA-N 1 2 352.276 2.401 20 30 FEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000884117899 687793823 /nfs/dbraw/zinc/79/38/23/687793823.db2.gz OWVWLVQJZVCCGQ-XBFCOCLRSA-N 1 2 356.344 2.124 20 30 FEEDLO N#CC1(C[C@@H](O)C[N@@H+]2CCN(Cc3ccc(Cl)cc3)C(=O)C2)CCC1 ZINC000886016587 688194203 /nfs/dbraw/zinc/19/42/03/688194203.db2.gz HQJOBSFRLNGEFL-QGZVFWFLSA-N 1 2 361.873 2.429 20 30 FEEDLO N#CC1(C[C@@H](O)C[N@H+]2CCN(Cc3ccc(Cl)cc3)C(=O)C2)CCC1 ZINC000886016587 688194208 /nfs/dbraw/zinc/19/42/08/688194208.db2.gz HQJOBSFRLNGEFL-QGZVFWFLSA-N 1 2 361.873 2.429 20 30 FEEDLO Cc1nsc(N2CC[NH+](Cc3cccc4[nH]c(=O)oc43)CC2)c1C#N ZINC000894544843 689551080 /nfs/dbraw/zinc/55/10/80/689551080.db2.gz PZQYWXDJLSWIDY-UHFFFAOYSA-N 1 2 355.423 2.492 20 30 FEEDLO Cc1cc(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)cc(C)c1C#N ZINC000906380931 691260703 /nfs/dbraw/zinc/26/07/03/691260703.db2.gz FAQQCRMDZXMXIY-LJQANCHMSA-N 1 2 359.495 2.113 20 30 FEEDLO CS(=O)(=O)N(Cc1cn2c([nH+]1)CCCC2)Cc1ccc(F)cc1C#N ZINC000328635744 210119580 /nfs/dbraw/zinc/11/95/80/210119580.db2.gz UZTSIFCGNKCRMW-UHFFFAOYSA-N 1 2 362.430 2.192 20 30 FEEDLO Cc1ccc(NC(=O)C[N@H+](C)C[C@H](O)COc2ccc(C#N)cc2)cc1 ZINC000017740663 539643167 /nfs/dbraw/zinc/64/31/67/539643167.db2.gz YVHZCYXPHDYKOE-SFHVURJKSA-N 1 2 353.422 2.177 20 30 FEEDLO Cc1ccc(NC(=O)C[N@@H+](C)C[C@H](O)COc2ccc(C#N)cc2)cc1 ZINC000017740663 539643170 /nfs/dbraw/zinc/64/31/70/539643170.db2.gz YVHZCYXPHDYKOE-SFHVURJKSA-N 1 2 353.422 2.177 20 30 FEEDLO C=CCNC(=O)C[NH+]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000023823876 539721472 /nfs/dbraw/zinc/72/14/72/539721472.db2.gz BWVVAXSCQHXKST-UHFFFAOYSA-N 1 2 372.347 2.038 20 30 FEEDLO C#CC[NH+]1CCN(c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2C)CC1 ZINC000800734219 674072602 /nfs/dbraw/zinc/07/26/02/674072602.db2.gz GVKAHXUILMOJAF-AWEZNQCLSA-N 1 2 355.511 2.424 20 30 FEEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000028693031 539835786 /nfs/dbraw/zinc/83/57/86/539835786.db2.gz HEWCCJHBWVJUFB-INIZCTEOSA-N 1 2 350.422 2.065 20 30 FEEDLO Cc1cc(NC(=O)CCN2CC[NH+](Cc3ccc(C#N)cc3)CC2)no1 ZINC000028634477 539834261 /nfs/dbraw/zinc/83/42/61/539834261.db2.gz FICLZTAMXSRYON-UHFFFAOYSA-N 1 2 353.426 2.001 20 30 FEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000029253653 539848705 /nfs/dbraw/zinc/84/87/05/539848705.db2.gz LREFCYMMWLYEMV-OAHLLOKOSA-N 1 2 369.469 2.135 20 30 FEEDLO N#Cc1ccc(NC(=O)C(=O)NCCc2[nH+]ccn2Cc2ccccc2)cc1 ZINC000041326915 540017119 /nfs/dbraw/zinc/01/71/19/540017119.db2.gz OPTKXWACJQKEIJ-UHFFFAOYSA-N 1 2 373.416 2.100 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000045334296 540210020 /nfs/dbraw/zinc/21/00/20/540210020.db2.gz RXZXQMGYFQQJCE-UTKZUKDTSA-N 1 2 367.497 2.119 20 30 FEEDLO CN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000046891617 540275407 /nfs/dbraw/zinc/27/54/07/540275407.db2.gz IJBVYBKLFPIVIN-UHFFFAOYSA-N 1 2 365.437 2.131 20 30 FEEDLO C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCN(C(=O)CCC2CCCCC2)CC1 ZINC000054292417 540581861 /nfs/dbraw/zinc/58/18/61/540581861.db2.gz ONGPSSCENCOTDM-KRWDZBQOSA-N 1 2 362.518 2.252 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(S(=O)(=O)CCc3ccccc3)CC2)cc1 ZINC000055972268 540690995 /nfs/dbraw/zinc/69/09/95/540690995.db2.gz OZGBORMJXDQQJC-UHFFFAOYSA-N 1 2 369.490 2.248 20 30 FEEDLO COc1ccccc1NC(=O)CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000058773053 540855506 /nfs/dbraw/zinc/85/55/06/540855506.db2.gz GGGTZZKJRLTMFD-UHFFFAOYSA-N 1 2 364.449 2.323 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)N2CC[NH+](C[C@@H]3CCC(F)(F)C3)CC2)cc1 ZINC000550711233 674106650 /nfs/dbraw/zinc/10/66/50/674106650.db2.gz RXXCPKOFSRTTRN-OAHLLOKOSA-N 1 2 369.437 2.300 20 30 FEEDLO CC(C)CCC[C@H](C)NC(=O)C[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000060481427 541113504 /nfs/dbraw/zinc/11/35/04/541113504.db2.gz GKHJSMVQRBXFNQ-KRWDZBQOSA-N 1 2 357.502 2.406 20 30 FEEDLO C#Cc1cccc(NC(=O)C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)c1 ZINC000063227293 541160234 /nfs/dbraw/zinc/16/02/34/541160234.db2.gz ADHJSMDCVWGFCJ-UHFFFAOYSA-N 1 2 362.364 2.248 20 30 FEEDLO C=CC[N@H+](CC(=O)NC(=O)NCc1ccco1)Cc1cccc([N+](=O)[O-])c1 ZINC000063297854 541163296 /nfs/dbraw/zinc/16/32/96/541163296.db2.gz UFHOAVADYVOLDE-UHFFFAOYSA-N 1 2 372.381 2.202 20 30 FEEDLO C=CC[N@@H+](CC(=O)NC(=O)NCc1ccco1)Cc1cccc([N+](=O)[O-])c1 ZINC000063297854 541163300 /nfs/dbraw/zinc/16/33/00/541163300.db2.gz UFHOAVADYVOLDE-UHFFFAOYSA-N 1 2 372.381 2.202 20 30 FEEDLO CC1CCC(NC(=O)C[N@@H+]2CCCN(c3ncccc3C#N)CC2)CC1 ZINC000064634227 541213018 /nfs/dbraw/zinc/21/30/18/541213018.db2.gz YJFIMGODDOGZSI-UHFFFAOYSA-N 1 2 355.486 2.160 20 30 FEEDLO CC1CCC(NC(=O)C[N@H+]2CCCN(c3ncccc3C#N)CC2)CC1 ZINC000064634227 541213021 /nfs/dbraw/zinc/21/30/21/541213021.db2.gz YJFIMGODDOGZSI-UHFFFAOYSA-N 1 2 355.486 2.160 20 30 FEEDLO Cc1oc(NC(=O)C[N@@H+]2CCCN(c3nccs3)CC2)c(C#N)c1C ZINC000064401887 541204807 /nfs/dbraw/zinc/20/48/07/541204807.db2.gz KSQDSAKGHKOQBY-UHFFFAOYSA-N 1 2 359.455 2.375 20 30 FEEDLO Cc1oc(NC(=O)C[N@H+]2CCCN(c3nccs3)CC2)c(C#N)c1C ZINC000064401887 541204810 /nfs/dbraw/zinc/20/48/10/541204810.db2.gz KSQDSAKGHKOQBY-UHFFFAOYSA-N 1 2 359.455 2.375 20 30 FEEDLO Cc1cc(N2CCN(c3cc(C#N)ccn3)CC2)nc(-c2ccncc2)[nH+]1 ZINC000068874784 541635973 /nfs/dbraw/zinc/63/59/73/541635973.db2.gz ZXEJENDDYYLRCL-UHFFFAOYSA-N 1 2 357.421 2.440 20 30 FEEDLO Cc1cccc2[nH+]c(CNC(=O)C(=O)Nc3ccc(Cl)c(C#N)c3)cn21 ZINC000069564365 541697305 /nfs/dbraw/zinc/69/73/05/541697305.db2.gz BLZCMPJMSAMTHS-UHFFFAOYSA-N 1 2 367.796 2.423 20 30 FEEDLO CC(C)C(=O)N1CCC[N@H+](CC(=O)N(CCC#N)c2ccccc2)CC1 ZINC000069609269 541700082 /nfs/dbraw/zinc/70/00/82/541700082.db2.gz MOAAMYKONUYRPO-UHFFFAOYSA-N 1 2 356.470 2.124 20 30 FEEDLO CC(C)C(=O)N1CCC[N@@H+](CC(=O)N(CCC#N)c2ccccc2)CC1 ZINC000069609269 541700087 /nfs/dbraw/zinc/70/00/87/541700087.db2.gz MOAAMYKONUYRPO-UHFFFAOYSA-N 1 2 356.470 2.124 20 30 FEEDLO C[C@@H]1C[NH+]=C(N2CCN(C(=O)/C=C/c3ccc(OCC#N)cc3)CC2)S1 ZINC000073117468 541920461 /nfs/dbraw/zinc/92/04/61/541920461.db2.gz JEVGLPCSPLYVRB-NFBGWVBBSA-N 1 2 370.478 2.238 20 30 FEEDLO N#CCc1ccc(NC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)cc1 ZINC000076083477 542231193 /nfs/dbraw/zinc/23/11/93/542231193.db2.gz KTLNGGLVCUWLPM-GOSISDBHSA-N 1 2 360.483 2.082 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000017843269 211187836 /nfs/dbraw/zinc/18/78/36/211187836.db2.gz ULFVYFZYIWYVFL-UHFFFAOYSA-N 1 2 350.378 2.424 20 30 FEEDLO CCN(C[C@@H](C)C#N)C(=O)CN1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000076606126 542301094 /nfs/dbraw/zinc/30/10/94/542301094.db2.gz KPCFYZHBVOZHPH-INIZCTEOSA-N 1 2 362.905 2.466 20 30 FEEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCN(Cc2cccc(Cl)c2)CC1 ZINC000076606126 542301098 /nfs/dbraw/zinc/30/10/98/542301098.db2.gz KPCFYZHBVOZHPH-INIZCTEOSA-N 1 2 362.905 2.466 20 30 FEEDLO COc1cc2c(cc1OC)[C@@H](c1ccccc1)[N@H+](CC(=O)NCC#N)CC2 ZINC000076667969 542309283 /nfs/dbraw/zinc/30/92/83/542309283.db2.gz LWETZDFELJBJOS-OAQYLSRUSA-N 1 2 365.433 2.291 20 30 FEEDLO COc1cc2c(cc1OC)[C@@H](c1ccccc1)[N@@H+](CC(=O)NCC#N)CC2 ZINC000076667969 542309285 /nfs/dbraw/zinc/30/92/85/542309285.db2.gz LWETZDFELJBJOS-OAQYLSRUSA-N 1 2 365.433 2.291 20 30 FEEDLO N#Cc1c(NC(=O)C[NH+]2CCC(CC(N)=O)CC2)sc2c1CCCCC2 ZINC000077168403 542350241 /nfs/dbraw/zinc/35/02/41/542350241.db2.gz WSFAPACXAAMMOA-UHFFFAOYSA-N 1 2 374.510 2.415 20 30 FEEDLO N#Cc1cc(NC(=O)NCc2cc[nH+]c(N3CCOCC3)c2)ccc1F ZINC000077497978 542389367 /nfs/dbraw/zinc/38/93/67/542389367.db2.gz PMAXEQZVFZGKFQ-UHFFFAOYSA-N 1 2 355.373 2.251 20 30 FEEDLO CO[C@@H](C)c1cccc(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000078543247 542467276 /nfs/dbraw/zinc/46/72/76/542467276.db2.gz YSZALGVRXAOCIA-INIZCTEOSA-N 1 2 360.458 2.474 20 30 FEEDLO C[C@@H](C#N)OCC[NH+]1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000801913911 674154833 /nfs/dbraw/zinc/15/48/33/674154833.db2.gz CFTLWFQXDNKMCW-ZDUSSCGKSA-N 1 2 355.360 2.392 20 30 FEEDLO C[C@@H](C#N)OCC[N@H+](C)Cc1cn(-c2cccc(Br)c2)nn1 ZINC000801953423 674156821 /nfs/dbraw/zinc/15/68/21/674156821.db2.gz PFRADQCRKLTXDP-LBPRGKRZSA-N 1 2 364.247 2.390 20 30 FEEDLO C[C@@H](C#N)OCC[N@@H+](C)Cc1cn(-c2cccc(Br)c2)nn1 ZINC000801953423 674156825 /nfs/dbraw/zinc/15/68/25/674156825.db2.gz PFRADQCRKLTXDP-LBPRGKRZSA-N 1 2 364.247 2.390 20 30 FEEDLO CC[NH+](CC)Cc1nc(C2(NC(=O)c3cc(C#N)cn3C)CCCC2)no1 ZINC000081713813 542673397 /nfs/dbraw/zinc/67/33/97/542673397.db2.gz JIKUQGFRSSDWLP-UHFFFAOYSA-N 1 2 370.457 2.321 20 30 FEEDLO CC(C)CO[C@H](C)C(N)=[NH+]OCC(=O)Nc1ccnn1C1CCCC1 ZINC000085265025 542724493 /nfs/dbraw/zinc/72/44/93/542724493.db2.gz LIRDQHXZUWSYER-CYBMUJFWSA-N 1 2 351.451 2.287 20 30 FEEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCCC2(C1)OCCO2 ZINC000090561728 542786109 /nfs/dbraw/zinc/78/61/09/542786109.db2.gz LHXWCSCUPOROLF-OAHLLOKOSA-N 1 2 350.484 2.490 20 30 FEEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCCC2(C1)OCCO2 ZINC000090561728 542786112 /nfs/dbraw/zinc/78/61/12/542786112.db2.gz LHXWCSCUPOROLF-OAHLLOKOSA-N 1 2 350.484 2.490 20 30 FEEDLO COc1ccc(C[NH+]2CCN(CC#N)CC2)cc1OCc1cccnc1 ZINC000092936407 542897086 /nfs/dbraw/zinc/89/70/86/542897086.db2.gz LBUIDQQAXZXBJG-UHFFFAOYSA-N 1 2 352.438 2.310 20 30 FEEDLO CSc1[nH]c(=O)c(C(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1C#N ZINC000097681004 543014732 /nfs/dbraw/zinc/01/47/32/543014732.db2.gz AYFFZFATCBJEKI-JHJVBQTASA-N 1 2 362.499 2.477 20 30 FEEDLO Cc1ccsc1CNC(=O)C[N@@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000098136898 543022829 /nfs/dbraw/zinc/02/28/29/543022829.db2.gz GVBWZBAYPBIHQK-UHFFFAOYSA-N 1 2 369.494 2.152 20 30 FEEDLO Cc1ccsc1CNC(=O)C[N@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000098136898 543022831 /nfs/dbraw/zinc/02/28/31/543022831.db2.gz GVBWZBAYPBIHQK-UHFFFAOYSA-N 1 2 369.494 2.152 20 30 FEEDLO Cc1cccn2c(=O)cc(C[NH+]3CCN(c4ccccc4C#N)CC3)nc12 ZINC000101554808 543032662 /nfs/dbraw/zinc/03/26/62/543032662.db2.gz IGMRERBVBSJNQU-UHFFFAOYSA-N 1 2 359.433 2.197 20 30 FEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN(Cc2ccccc2OC)CC1 ZINC000102775016 543080434 /nfs/dbraw/zinc/08/04/34/543080434.db2.gz IMCDFZMIAPBIDD-GOSISDBHSA-N 1 2 357.498 2.402 20 30 FEEDLO C=CCN(CC=C)C(=O)[C@@H](C)N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000102775016 543080437 /nfs/dbraw/zinc/08/04/37/543080437.db2.gz IMCDFZMIAPBIDD-GOSISDBHSA-N 1 2 357.498 2.402 20 30 FEEDLO N#CCCN(C(=O)C[N@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F)c1ccccc1 ZINC000109757612 543337930 /nfs/dbraw/zinc/33/79/30/543337930.db2.gz UUJORXGOHAUCQZ-ZBFHGGJFSA-N 1 2 355.360 2.321 20 30 FEEDLO N#CCCN(C(=O)C[N@@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F)c1ccccc1 ZINC000109757612 543337933 /nfs/dbraw/zinc/33/79/33/543337933.db2.gz UUJORXGOHAUCQZ-ZBFHGGJFSA-N 1 2 355.360 2.321 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000115571351 543574525 /nfs/dbraw/zinc/57/45/25/543574525.db2.gz GEHZQAYSLPVXNJ-XLIONFOSSA-N 1 2 356.470 2.168 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000115571351 543574528 /nfs/dbraw/zinc/57/45/28/543574528.db2.gz GEHZQAYSLPVXNJ-XLIONFOSSA-N 1 2 356.470 2.168 20 30 FEEDLO COc1ccc(C[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)cc1OC(F)F ZINC000115596806 543576909 /nfs/dbraw/zinc/57/69/09/543576909.db2.gz ZXCDAKYABPPUOR-MRXNPFEDSA-N 1 2 361.348 2.484 20 30 FEEDLO C=CCOc1ccccc1C[N@@H+](CCCOC)[C@H]1CCS(=O)(=O)C1 ZINC000120148706 543676314 /nfs/dbraw/zinc/67/63/14/543676314.db2.gz KNJQCMRHCKSIAL-KRWDZBQOSA-N 1 2 353.484 2.277 20 30 FEEDLO C=CCOc1ccccc1C[N@H+](CCCOC)[C@H]1CCS(=O)(=O)C1 ZINC000120148706 543676317 /nfs/dbraw/zinc/67/63/17/543676317.db2.gz KNJQCMRHCKSIAL-KRWDZBQOSA-N 1 2 353.484 2.277 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000120471289 543680660 /nfs/dbraw/zinc/68/06/60/543680660.db2.gz DVKMNPHQDRKSEX-SQGPQFPESA-N 1 2 357.502 2.203 20 30 FEEDLO COc1cc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)ccc1Cl ZINC000122727244 543720071 /nfs/dbraw/zinc/72/00/71/543720071.db2.gz KDRQCUPLGUXQKY-UHFFFAOYSA-N 1 2 351.834 2.037 20 30 FEEDLO Cc1cc(C)nc(N2CC[NH+]([C@@H](C)C(=O)Nc3cccc(C#N)c3)CC2)n1 ZINC000123096732 543741895 /nfs/dbraw/zinc/74/18/95/543741895.db2.gz UEANGPVWIKPLCC-INIZCTEOSA-N 1 2 364.453 2.114 20 30 FEEDLO C=CCNC(=O)C[NH+]1CCN(Cc2cc(Cl)cc(Cl)c2OC)CC1 ZINC000122237299 543705216 /nfs/dbraw/zinc/70/52/16/543705216.db2.gz GPRHVVXUTAJZCG-UHFFFAOYSA-N 1 2 372.296 2.422 20 30 FEEDLO N#Cc1cc(F)c(S(=O)(=O)NCCc2cn3ccccc3[nH+]2)c(F)c1 ZINC000124141589 543803326 /nfs/dbraw/zinc/80/33/26/543803326.db2.gz OHLWAJSYJMWTBW-UHFFFAOYSA-N 1 2 362.361 2.005 20 30 FEEDLO N#CCCN(CCC#N)C(=O)C[N@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000128520124 544057850 /nfs/dbraw/zinc/05/78/50/544057850.db2.gz UJNLNTLZSHALHC-HNNXBMFYSA-N 1 2 360.845 2.449 20 30 FEEDLO N#CCCN(CCC#N)C(=O)C[N@@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000128520124 544057852 /nfs/dbraw/zinc/05/78/52/544057852.db2.gz UJNLNTLZSHALHC-HNNXBMFYSA-N 1 2 360.845 2.449 20 30 FEEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000129863775 544130186 /nfs/dbraw/zinc/13/01/86/544130186.db2.gz BEMQSPZJEVVOGL-UHFFFAOYSA-N 1 2 369.425 2.029 20 30 FEEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000130037262 544136337 /nfs/dbraw/zinc/13/63/37/544136337.db2.gz CXWHNWBNBYRGFC-INIZCTEOSA-N 1 2 365.433 2.376 20 30 FEEDLO N#CCOc1ccc(CC(=O)N2CC[NH+](Cc3cccc(O)c3)CC2)cc1 ZINC000130939637 544171391 /nfs/dbraw/zinc/17/13/91/544171391.db2.gz QAQMTSPOWFFILW-UHFFFAOYSA-N 1 2 365.433 2.181 20 30 FEEDLO C=CCC[NH+]1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000132358378 544228539 /nfs/dbraw/zinc/22/85/39/544228539.db2.gz SQGPCRLHPBKZBY-UHFFFAOYSA-N 1 2 365.318 2.393 20 30 FEEDLO CS(=O)(=O)NCC[C@H]1CCCC[N@@H+]1CC#Cc1ccccc1Cl ZINC000134995651 544330613 /nfs/dbraw/zinc/33/06/13/544330613.db2.gz SDRYVGLKIIPLIW-MRXNPFEDSA-N 1 2 354.903 2.485 20 30 FEEDLO CS(=O)(=O)NCC[C@H]1CCCC[N@H+]1CC#Cc1ccccc1Cl ZINC000134995651 544330615 /nfs/dbraw/zinc/33/06/15/544330615.db2.gz SDRYVGLKIIPLIW-MRXNPFEDSA-N 1 2 354.903 2.485 20 30 FEEDLO N#Cc1ccc(OC[C@@H](O)C[NH+]2CCN(CCc3cccs3)CC2)cc1 ZINC000141417332 544413221 /nfs/dbraw/zinc/41/32/21/544413221.db2.gz BUTYKLPWTVDQKO-SFHVURJKSA-N 1 2 371.506 2.220 20 30 FEEDLO C[C@@H](C#N)CN(C)C(=O)c1ccc(S(=O)(=O)Nc2cc[nH+]cc2)cc1 ZINC000148121843 544448829 /nfs/dbraw/zinc/44/88/29/544448829.db2.gz JLLXDTLTCVICOK-ZDUSSCGKSA-N 1 2 358.423 2.114 20 30 FEEDLO Cc1cccc(NC(=O)C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1C#N ZINC000151455804 544543736 /nfs/dbraw/zinc/54/37/36/544543736.db2.gz KVMYCIQOLMRLAY-YOEHRIQHSA-N 1 2 351.410 2.111 20 30 FEEDLO CCN(CC)c1ccc(CNS(=O)(=O)c2ccc(C#N)cc2F)c[nH+]1 ZINC000151072943 544502360 /nfs/dbraw/zinc/50/23/60/544502360.db2.gz FYAYTDWLDDPDQH-UHFFFAOYSA-N 1 2 362.430 2.417 20 30 FEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)Cc1cc(Br)cn1C ZINC000151490971 544548200 /nfs/dbraw/zinc/54/82/00/544548200.db2.gz XHZUKQQTANTBTH-GFCCVEGCSA-N 1 2 355.280 2.228 20 30 FEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)Cc1cc(Br)cn1C ZINC000151490971 544548202 /nfs/dbraw/zinc/54/82/02/544548202.db2.gz XHZUKQQTANTBTH-GFCCVEGCSA-N 1 2 355.280 2.228 20 30 FEEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CCC[C@H](c3nncn3C3CC3)C2)c1 ZINC000152417638 544650447 /nfs/dbraw/zinc/65/04/47/544650447.db2.gz ODXFQEWLRRBULI-HNNXBMFYSA-N 1 2 350.426 2.303 20 30 FEEDLO N#Cc1cccc(NC(=O)C[N@H+]2CCC[C@H](c3nncn3C3CC3)C2)c1 ZINC000152417638 544650451 /nfs/dbraw/zinc/65/04/51/544650451.db2.gz ODXFQEWLRRBULI-HNNXBMFYSA-N 1 2 350.426 2.303 20 30 FEEDLO COc1c(C)c[nH+]c(CN(C)C(=O)C(=O)Nc2cccc(C)c2C#N)c1C ZINC000182716477 327786344 /nfs/dbraw/zinc/78/63/44/327786344.db2.gz LFAOKCMOILUMOE-UHFFFAOYSA-N 1 2 366.421 2.484 20 30 FEEDLO CCCNC(=O)C[C@H](C(N)=O)[N@H+](CCC)Cc1ccc(Cl)cc1C#N ZINC000187466144 328027792 /nfs/dbraw/zinc/02/77/92/328027792.db2.gz YSHZEQJDJIQRBU-MRXNPFEDSA-N 1 2 364.877 2.194 20 30 FEEDLO CCCNC(=O)C[C@H](C(N)=O)[N@@H+](CCC)Cc1ccc(Cl)cc1C#N ZINC000187466144 328027794 /nfs/dbraw/zinc/02/77/94/328027794.db2.gz YSHZEQJDJIQRBU-MRXNPFEDSA-N 1 2 364.877 2.194 20 30 FEEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)C(=O)Nc1cccc(C#N)c1 ZINC000192129003 328301541 /nfs/dbraw/zinc/30/15/41/328301541.db2.gz XOIGAJKVEIFQMG-UHFFFAOYSA-N 1 2 353.426 2.194 20 30 FEEDLO Cc1ccc(NC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c(C)[nH+]1 ZINC000192234973 328308498 /nfs/dbraw/zinc/30/84/98/328308498.db2.gz OHHHJQAKDAWIQU-GOSISDBHSA-N 1 2 363.421 2.493 20 30 FEEDLO N#Cc1ccc(N2CCC[C@H]([N@H+](CC(N)=O)Cc3ccccc3)C2=O)cc1 ZINC000192587760 328327421 /nfs/dbraw/zinc/32/74/21/328327421.db2.gz OFGZAFNNNKPSCV-IBGZPJMESA-N 1 2 362.433 2.041 20 30 FEEDLO N#Cc1ccc(N2CCC[C@H]([N@@H+](CC(N)=O)Cc3ccccc3)C2=O)cc1 ZINC000192587760 328327422 /nfs/dbraw/zinc/32/74/22/328327422.db2.gz OFGZAFNNNKPSCV-IBGZPJMESA-N 1 2 362.433 2.041 20 30 FEEDLO Cc1ccc([C@@H](CNC(=O)c2ccnc(C#N)c2)[NH+]2CCOCC2)cc1 ZINC000192806713 328341077 /nfs/dbraw/zinc/34/10/77/328341077.db2.gz AEPMNOODAROHII-LJQANCHMSA-N 1 2 350.422 2.065 20 30 FEEDLO N#Cc1ccc(N2CC[NH+]([C@H](C(=O)NC3CC3)c3ccccc3)CC2)nc1 ZINC000193771989 328394522 /nfs/dbraw/zinc/39/45/22/328394522.db2.gz YZGCUYUDSBFGDA-FQEVSTJZSA-N 1 2 361.449 2.095 20 30 FEEDLO N#Cc1ccccc1OCC(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000018826628 324390792 /nfs/dbraw/zinc/39/07/92/324390792.db2.gz RBROUGJIWBCBCL-UHFFFAOYSA-N 1 2 365.433 2.160 20 30 FEEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000083168702 325214305 /nfs/dbraw/zinc/21/43/05/325214305.db2.gz CCZFNEGLNBCYMP-ZWKOTPCHSA-N 1 2 355.438 2.011 20 30 FEEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000083168702 325214307 /nfs/dbraw/zinc/21/43/07/325214307.db2.gz CCZFNEGLNBCYMP-ZWKOTPCHSA-N 1 2 355.438 2.011 20 30 FEEDLO CN(CC(F)(F)F)C(=O)C[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000104712396 325543067 /nfs/dbraw/zinc/54/30/67/325543067.db2.gz FCBUKAOZZWMEFN-UHFFFAOYSA-N 1 2 355.360 2.422 20 30 FEEDLO N#Cc1cccnc1N1CC[NH+]([C@H]2CCCN(c3ccccc3)C2=O)CC1 ZINC000115533361 325963465 /nfs/dbraw/zinc/96/34/65/325963465.db2.gz LYCFTFVBPLIJLM-IBGZPJMESA-N 1 2 361.449 2.271 20 30 FEEDLO N#Cc1cccnc1N1CCCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000117765578 326070219 /nfs/dbraw/zinc/07/02/19/326070219.db2.gz ZKULXIINSHRKPU-UHFFFAOYSA-N 1 2 372.432 2.491 20 30 FEEDLO COc1ccc(C#N)cc1C[NH+]1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000120415278 326256785 /nfs/dbraw/zinc/25/67/85/326256785.db2.gz SDKXLTRQAVMWNG-UHFFFAOYSA-N 1 2 364.449 2.323 20 30 FEEDLO N#Cc1nc(-c2ccco2)oc1N1CC[NH+](CCOC[C@@H]2CCCO2)CC1 ZINC000152139806 326699778 /nfs/dbraw/zinc/69/97/78/326699778.db2.gz FIROZCJQMIUUOX-HNNXBMFYSA-N 1 2 372.425 2.124 20 30 FEEDLO C[C@@H]1CN(c2nccnc2C#N)CCN1Cc1[nH+]ccn1Cc1ccccc1 ZINC000155638103 326797661 /nfs/dbraw/zinc/79/76/61/326797661.db2.gz BEWVUWJRJJKHMM-QGZVFWFLSA-N 1 2 373.464 2.304 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1Cl ZINC000159371687 326929244 /nfs/dbraw/zinc/92/92/44/326929244.db2.gz HBWSLBDZGDOKEF-CYBMUJFWSA-N 1 2 362.842 2.164 20 30 FEEDLO CC(C)(C)Oc1cc[nH+]cc1NC(=O)CNC(=O)c1ccc(C#N)cc1 ZINC000164292611 327067955 /nfs/dbraw/zinc/06/79/55/327067955.db2.gz UROZGRURIBGTHG-UHFFFAOYSA-N 1 2 352.394 2.499 20 30 FEEDLO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(c2ccc([N+](=O)[O-])c(C#N)c2)CC1 ZINC000166371307 327081769 /nfs/dbraw/zinc/08/17/69/327081769.db2.gz PUEZLXHYUKSJQJ-CQSZACIVSA-N 1 2 371.441 2.036 20 30 FEEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000174662152 327342006 /nfs/dbraw/zinc/34/20/06/327342006.db2.gz AYQTZQBOWREJKK-MRXNPFEDSA-N 1 2 364.449 2.409 20 30 FEEDLO N#Cc1ccc(Oc2cccc(C(=O)NC[C@H]3C[NH+]4CCN3CC4)c2)cc1 ZINC000178610162 327595632 /nfs/dbraw/zinc/59/56/32/327595632.db2.gz JVMUQBFDOLLYOY-SFHVURJKSA-N 1 2 362.433 2.080 20 30 FEEDLO COc1cc(C#N)ccc1S(=O)(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000248638358 328731335 /nfs/dbraw/zinc/73/13/35/328731335.db2.gz LJDNHTZBJMOIAX-DZGCQCFKSA-N 1 2 360.439 2.035 20 30 FEEDLO COC(=O)[C@H]1CCC[C@@H](C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000266871946 329267920 /nfs/dbraw/zinc/26/79/20/329267920.db2.gz XYKAWKKITUVMEM-MOPGFXCFSA-N 1 2 369.465 2.182 20 30 FEEDLO N#Cc1cccc(Cn2nnc([C@@H]3C[N@H+](Cc4ccccc4)CCO3)n2)c1 ZINC000375787225 330251375 /nfs/dbraw/zinc/25/13/75/330251375.db2.gz DRPNQKDRTQPELE-IBGZPJMESA-N 1 2 360.421 2.167 20 30 FEEDLO N#Cc1cccc(Cn2nnc([C@@H]3C[N@@H+](Cc4ccccc4)CCO3)n2)c1 ZINC000375787225 330251376 /nfs/dbraw/zinc/25/13/76/330251376.db2.gz DRPNQKDRTQPELE-IBGZPJMESA-N 1 2 360.421 2.167 20 30 FEEDLO C=CCN(CC=C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000554684144 674330077 /nfs/dbraw/zinc/33/00/77/674330077.db2.gz VBLVDENJXWWKBF-SJORKVTESA-N 1 2 361.873 2.402 20 30 FEEDLO C=CCN(CC=C)C(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000554684144 674330078 /nfs/dbraw/zinc/33/00/78/674330078.db2.gz VBLVDENJXWWKBF-SJORKVTESA-N 1 2 361.873 2.402 20 30 FEEDLO CC[N@@H+]1CCO[C@H](C(=O)OCc2ccc(C#N)cc2Br)C1 ZINC000805470427 674338670 /nfs/dbraw/zinc/33/86/70/674338670.db2.gz SHRBLPJIVCKVDL-AWEZNQCLSA-N 1 2 353.216 2.085 20 30 FEEDLO CC[N@H+]1CCO[C@H](C(=O)OCc2ccc(C#N)cc2Br)C1 ZINC000805470427 674338671 /nfs/dbraw/zinc/33/86/71/674338671.db2.gz SHRBLPJIVCKVDL-AWEZNQCLSA-N 1 2 353.216 2.085 20 30 FEEDLO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCNC(=O)[C@@H]1c1ccccc1 ZINC000156169700 545604217 /nfs/dbraw/zinc/60/42/17/545604217.db2.gz WOHMRGITMFXFNZ-INIZCTEOSA-N 1 2 354.435 2.121 20 30 FEEDLO N#Cc1ccsc1NC(=O)CC[N@H+]1CCNC(=O)[C@@H]1c1ccccc1 ZINC000156169700 545604219 /nfs/dbraw/zinc/60/42/19/545604219.db2.gz WOHMRGITMFXFNZ-INIZCTEOSA-N 1 2 354.435 2.121 20 30 FEEDLO N#Cc1ccc([C@@H](O)C[N@H+]2CCOC[C@@H]2C[C@@H](O)c2cccs2)cc1 ZINC000156686105 545647408 /nfs/dbraw/zinc/64/74/08/545647408.db2.gz ULFHBYIZMFTETJ-KSZLIROESA-N 1 2 358.463 2.478 20 30 FEEDLO N#Cc1ccc([C@@H](O)C[N@@H+]2CCOC[C@@H]2C[C@@H](O)c2cccs2)cc1 ZINC000156686105 545647411 /nfs/dbraw/zinc/64/74/11/545647411.db2.gz ULFHBYIZMFTETJ-KSZLIROESA-N 1 2 358.463 2.478 20 30 FEEDLO N#Cc1ccc(F)cc1CN1CC[NH+](CC(=O)N2CCCCCC2)CC1 ZINC000158274097 545842878 /nfs/dbraw/zinc/84/28/78/545842878.db2.gz KBONELSLHUAFST-UHFFFAOYSA-N 1 2 358.461 2.218 20 30 FEEDLO N#Cc1c(Cl)cccc1S(=O)(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000159317190 545942508 /nfs/dbraw/zinc/94/25/08/545942508.db2.gz FZOBEOWVVNWWHM-LBPRGKRZSA-N 1 2 362.842 2.164 20 30 FEEDLO CC#CC[NH+]1CCN(C(=O)c2ccccc2I)CC1 ZINC000159480254 545957246 /nfs/dbraw/zinc/95/72/46/545957246.db2.gz BJRBPUZMFUBMFX-UHFFFAOYSA-N 1 2 368.218 2.072 20 30 FEEDLO Cn1cc(C[NH2+]Cc2nnnn2-c2ccccc2)c(-c2ccc(C#N)cc2)n1 ZINC000479982982 561200638 /nfs/dbraw/zinc/20/06/38/561200638.db2.gz OYYIRHIMKZIISZ-UHFFFAOYSA-N 1 2 370.420 2.224 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Nc1ccc2ncsc2c1 ZINC000176857732 546497027 /nfs/dbraw/zinc/49/70/27/546497027.db2.gz RSAIGWTXKIAMPH-UHFFFAOYSA-N 1 2 359.455 2.376 20 30 FEEDLO Cc1nc(CC(N)=[NH+]OCC(=O)N2CCC[C@H]3CCCC[C@@H]32)cs1 ZINC000177560487 546643648 /nfs/dbraw/zinc/64/36/48/546643648.db2.gz RDHZVJNRPZNKJO-HIFRSBDPSA-N 1 2 350.488 2.464 20 30 FEEDLO CCN(CC)C(=O)CO[NH+]=C(N)c1cccc(OCc2cccnc2)c1 ZINC000177573040 546647144 /nfs/dbraw/zinc/64/71/44/546647144.db2.gz PUBCYEDSEYMGFG-UHFFFAOYSA-N 1 2 356.426 2.166 20 30 FEEDLO C=CCN(CC=C)C(=O)[C@H](C)O[NH+]=C(N)c1ccc(N2CCCCC2)nc1 ZINC000178149894 546747329 /nfs/dbraw/zinc/74/73/29/546747329.db2.gz BGKAYWWFHBBUEF-INIZCTEOSA-N 1 2 371.485 2.298 20 30 FEEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)cc1 ZINC000179518966 546969140 /nfs/dbraw/zinc/96/91/40/546969140.db2.gz DIPJBVPPIXGVRV-HNNXBMFYSA-N 1 2 350.426 2.372 20 30 FEEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)cc1 ZINC000179518966 546969143 /nfs/dbraw/zinc/96/91/43/546969143.db2.gz DIPJBVPPIXGVRV-HNNXBMFYSA-N 1 2 350.426 2.372 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)N2CCC(n3cc[nH+]c3)CC2)c(Cl)c1 ZINC000183613619 547689447 /nfs/dbraw/zinc/68/94/47/547689447.db2.gz LWOHSWGMVLEZLU-UHFFFAOYSA-N 1 2 350.831 2.434 20 30 FEEDLO C[C@@H](c1nccs1)N1CC[NH+](C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000184670802 547864063 /nfs/dbraw/zinc/86/40/63/547864063.db2.gz GTFZNOGLVYKTLK-DOTOQJQBSA-N 1 2 372.494 2.133 20 30 FEEDLO N#C[C@@H](c1ccccc1)N1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)CC1 ZINC000485093305 561312462 /nfs/dbraw/zinc/31/24/62/561312462.db2.gz BPCFKLSHNAUQAQ-FQEVSTJZSA-N 1 2 372.432 2.290 20 30 FEEDLO COc1cc(C#N)ccc1S(=O)(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000185432655 547984006 /nfs/dbraw/zinc/98/40/06/547984006.db2.gz SXPDEAKFDKAYHS-UHFFFAOYSA-N 1 2 372.450 2.041 20 30 FEEDLO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCCC[C@]2(C)C(N)=O)cc1C ZINC000185885078 548052257 /nfs/dbraw/zinc/05/22/57/548052257.db2.gz UPJATJOLHIHMHM-HXUWFJFHSA-N 1 2 356.470 2.280 20 30 FEEDLO Cc1ccc(N(CCC#N)C(=O)C[N@H+]2CCCC[C@]2(C)C(N)=O)cc1C ZINC000185885078 548052260 /nfs/dbraw/zinc/05/22/60/548052260.db2.gz UPJATJOLHIHMHM-HXUWFJFHSA-N 1 2 356.470 2.280 20 30 FEEDLO N#CCOc1ccc(CC(=O)N2CCCN(c3cccc[nH+]3)CC2)cc1 ZINC000186408288 548131170 /nfs/dbraw/zinc/13/11/70/548131170.db2.gz USELOFUTJRXIEI-UHFFFAOYSA-N 1 2 350.422 2.265 20 30 FEEDLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C#N)c1ccccc1F ZINC000485854139 561329929 /nfs/dbraw/zinc/32/99/29/561329929.db2.gz VMMJSOVUCVVWHF-IRXDYDNUSA-N 1 2 371.416 2.003 20 30 FEEDLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C#N)c1ccccc1F ZINC000485854139 561329930 /nfs/dbraw/zinc/32/99/30/561329930.db2.gz VMMJSOVUCVVWHF-IRXDYDNUSA-N 1 2 371.416 2.003 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)cc1 ZINC000186610518 548158578 /nfs/dbraw/zinc/15/85/78/548158578.db2.gz DBYZYHYOABJPKG-FQEVSTJZSA-N 1 2 368.458 2.463 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@@]3(C2)OCc2ccccc23)cc1 ZINC000186610518 548158582 /nfs/dbraw/zinc/15/85/82/548158582.db2.gz DBYZYHYOABJPKG-FQEVSTJZSA-N 1 2 368.458 2.463 20 30 FEEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CC[C@@H](O)[C@H](C)C2)c1C#N ZINC000186914951 548217651 /nfs/dbraw/zinc/21/76/51/548217651.db2.gz JDXNJHQBOLNOLR-FZKQIMNGSA-N 1 2 370.453 2.259 20 30 FEEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CC[C@@H](O)[C@H](C)C2)c1C#N ZINC000186914951 548217655 /nfs/dbraw/zinc/21/76/55/548217655.db2.gz JDXNJHQBOLNOLR-FZKQIMNGSA-N 1 2 370.453 2.259 20 30 FEEDLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N(CCC#N)Cc1ccco1 ZINC000486057905 561337082 /nfs/dbraw/zinc/33/70/82/561337082.db2.gz ILPIRIMTTXMTTE-QGZVFWFLSA-N 1 2 371.441 2.019 20 30 FEEDLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N(CCC#N)Cc1ccco1 ZINC000486057905 561337083 /nfs/dbraw/zinc/33/70/83/561337083.db2.gz ILPIRIMTTXMTTE-QGZVFWFLSA-N 1 2 371.441 2.019 20 30 FEEDLO CCCN1CCC[N@@H+]([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)CC1=O ZINC000189374617 548301575 /nfs/dbraw/zinc/30/15/75/548301575.db2.gz YLZNYPZZFGNFIC-OHTSDLOESA-N 1 2 362.518 2.250 20 30 FEEDLO CCCN1CCC[N@H+]([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)CC1=O ZINC000189374617 548301580 /nfs/dbraw/zinc/30/15/80/548301580.db2.gz YLZNYPZZFGNFIC-OHTSDLOESA-N 1 2 362.518 2.250 20 30 FEEDLO C=C[C@@](C)(CC)C(=O)Nc1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC000190996772 548338772 /nfs/dbraw/zinc/33/87/72/548338772.db2.gz RQWKJDJEJAHDRP-SFHVURJKSA-N 1 2 365.499 2.164 20 30 FEEDLO C=CCCC[C@@H](C)NC(=O)NCC1([NH+]2CCOCC2)CC(OCC)C1 ZINC000192512081 548366532 /nfs/dbraw/zinc/36/65/32/548366532.db2.gz MAAGSGOPJXYRFL-LRYGQEGESA-N 1 2 353.507 2.300 20 30 FEEDLO Cc1nc(N2CC[NH+](CC(=O)N[C@H]3CCC[C@H](C)C3)CC2)ccc1C#N ZINC000488069965 561382821 /nfs/dbraw/zinc/38/28/21/561382821.db2.gz OMRAAJLCAIFAEO-YJBOKZPZSA-N 1 2 355.486 2.079 20 30 FEEDLO CC[C@H]1C[N@H+](CCNC(=O)Nc2cc(C#N)ccc2OC(F)F)CCO1 ZINC000488293908 561387583 /nfs/dbraw/zinc/38/75/83/561387583.db2.gz GIAHTRIXPWFZKO-ZDUSSCGKSA-N 1 2 368.384 2.392 20 30 FEEDLO CC[C@H]1C[N@@H+](CCNC(=O)Nc2cc(C#N)ccc2OC(F)F)CCO1 ZINC000488293908 561387584 /nfs/dbraw/zinc/38/75/84/561387584.db2.gz GIAHTRIXPWFZKO-ZDUSSCGKSA-N 1 2 368.384 2.392 20 30 FEEDLO CC[N@H+](CC(=O)Nc1ccccc1OC)[C@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000488527025 561391364 /nfs/dbraw/zinc/39/13/64/561391364.db2.gz HWDBYHOBZKPWOX-FOIQADDNSA-N 1 2 374.485 2.399 20 30 FEEDLO CC[N@@H+](CC(=O)Nc1ccccc1OC)[C@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000488527025 561391365 /nfs/dbraw/zinc/39/13/65/561391365.db2.gz HWDBYHOBZKPWOX-FOIQADDNSA-N 1 2 374.485 2.399 20 30 FEEDLO C=CC[C@H](CO)NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000248546120 549454940 /nfs/dbraw/zinc/45/49/40/549454940.db2.gz DQEVZDBXQYBTDC-WQVCFCJDSA-N 1 2 355.841 2.461 20 30 FEEDLO C=CC[C@H](CO)NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000248546120 549454941 /nfs/dbraw/zinc/45/49/41/549454941.db2.gz DQEVZDBXQYBTDC-WQVCFCJDSA-N 1 2 355.841 2.461 20 30 FEEDLO COCC[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)[C@@H]1CCO[C@H]1C ZINC000489422465 561410686 /nfs/dbraw/zinc/41/06/86/561410686.db2.gz FGDCETYXNAXLKD-BLLLJJGKSA-N 1 2 351.834 2.276 20 30 FEEDLO COCC[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)[C@@H]1CCO[C@H]1C ZINC000489422465 561410687 /nfs/dbraw/zinc/41/06/87/561410687.db2.gz FGDCETYXNAXLKD-BLLLJJGKSA-N 1 2 351.834 2.276 20 30 FEEDLO C[C@@H]1CCC[C@@H](NC(=O)C[NH+]2CCN(c3ccc(C#N)cn3)CC2)[C@H]1C ZINC000249768584 549626530 /nfs/dbraw/zinc/62/65/30/549626530.db2.gz QRGMOENGXJLVMO-SOLBZPMBSA-N 1 2 355.486 2.016 20 30 FEEDLO C[N@H+](Cc1ccccc1)C1CN(S(=O)(=O)c2ccc(C#N)c(F)c2)C1 ZINC000489870782 561421077 /nfs/dbraw/zinc/42/10/77/561421077.db2.gz CRLCWNNLGMFPIM-UHFFFAOYSA-N 1 2 359.426 2.202 20 30 FEEDLO C[N@@H+](Cc1ccccc1)C1CN(S(=O)(=O)c2ccc(C#N)c(F)c2)C1 ZINC000489870782 561421078 /nfs/dbraw/zinc/42/10/78/561421078.db2.gz CRLCWNNLGMFPIM-UHFFFAOYSA-N 1 2 359.426 2.202 20 30 FEEDLO C=CCNC(=O)NC(=O)C[N@@H+](CCC)[C@@H](C)C(=O)Nc1ccccc1C ZINC000490066159 561425546 /nfs/dbraw/zinc/42/55/46/561425546.db2.gz LMBSBVHEKZRWQH-HNNXBMFYSA-N 1 2 360.458 2.046 20 30 FEEDLO C=CCNC(=O)NC(=O)C[N@H+](CCC)[C@@H](C)C(=O)Nc1ccccc1C ZINC000490066159 561425547 /nfs/dbraw/zinc/42/55/47/561425547.db2.gz LMBSBVHEKZRWQH-HNNXBMFYSA-N 1 2 360.458 2.046 20 30 FEEDLO CCCC(=O)NC[C@H]1CCC[N@H+](CC(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000263741773 549929507 /nfs/dbraw/zinc/92/95/07/549929507.db2.gz OLBXXWVGFGFKLY-OAHLLOKOSA-N 1 2 360.458 2.335 20 30 FEEDLO CCCC(=O)NC[C@H]1CCC[N@@H+](CC(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000263741773 549929510 /nfs/dbraw/zinc/92/95/10/549929510.db2.gz OLBXXWVGFGFKLY-OAHLLOKOSA-N 1 2 360.458 2.335 20 30 FEEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000264631696 549998929 /nfs/dbraw/zinc/99/89/29/549998929.db2.gz VJXZMIBLTCYWMS-UONOGXRCSA-N 1 2 371.466 2.421 20 30 FEEDLO COc1ccc(C(N)=[NH+]OCCOc2ccc(C#N)cc2OC)cc1OC ZINC000265870365 550014879 /nfs/dbraw/zinc/01/48/79/550014879.db2.gz VKDINKIECTYSGH-UHFFFAOYSA-N 1 2 371.393 2.300 20 30 FEEDLO COc1ccccc1-c1noc([C@@H](C)[NH2+][C@@H](C)C(=O)N(C)CCC#N)n1 ZINC000266576065 550021367 /nfs/dbraw/zinc/02/13/67/550021367.db2.gz LHIVLZKJBVTFED-OLZOCXBDSA-N 1 2 357.414 2.156 20 30 FEEDLO C=CCN(Cc1ccccc1)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000266990974 550026461 /nfs/dbraw/zinc/02/64/61/550026461.db2.gz YACHHPAOSUNWLE-UHFFFAOYSA-N 1 2 369.469 2.435 20 30 FEEDLO CNC(=O)[C@@H]1CCC[N@@H+]1CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC000268283580 550044781 /nfs/dbraw/zinc/04/47/81/550044781.db2.gz BTAMNFBIQVQUDZ-INIZCTEOSA-N 1 2 362.861 2.106 20 30 FEEDLO CNC(=O)[C@@H]1CCC[N@H+]1CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC000268283580 550044784 /nfs/dbraw/zinc/04/47/84/550044784.db2.gz BTAMNFBIQVQUDZ-INIZCTEOSA-N 1 2 362.861 2.106 20 30 FEEDLO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)c1nc(-c2ccc(CC)cc2)no1 ZINC000268497118 550076540 /nfs/dbraw/zinc/07/65/40/550076540.db2.gz PHKNNLPPSVNVPN-STQMWFEESA-N 1 2 371.441 2.350 20 30 FEEDLO CSC[C@H]1CCC[N@@H+]1CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000268952852 550136081 /nfs/dbraw/zinc/13/60/81/550136081.db2.gz FAZVUYHVCSHEFF-TZMCWYRMSA-N 1 2 356.451 2.339 20 30 FEEDLO CSC[C@H]1CCC[N@H+]1CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000268952852 550136083 /nfs/dbraw/zinc/13/60/83/550136083.db2.gz FAZVUYHVCSHEFF-TZMCWYRMSA-N 1 2 356.451 2.339 20 30 FEEDLO C=CCN(CCc1ccco1)C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000272471277 550450759 /nfs/dbraw/zinc/45/07/59/550450759.db2.gz TVAKMMAEAFLHDE-UHFFFAOYSA-N 1 2 370.453 2.452 20 30 FEEDLO C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000272552095 550457457 /nfs/dbraw/zinc/45/74/57/550457457.db2.gz NOHMQOUBGQIIIO-KBPBESRZSA-N 1 2 367.409 2.045 20 30 FEEDLO C[C@H](C#N)CN(C)C(=O)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000275629160 550573061 /nfs/dbraw/zinc/57/30/61/550573061.db2.gz BSRPJDVQDZPAPA-CQSZACIVSA-N 1 2 363.421 2.158 20 30 FEEDLO C[C@H](CC#N)N(C)C(=O)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000276085946 550576536 /nfs/dbraw/zinc/57/65/36/550576536.db2.gz YCQWRKAUMWBXEV-CQSZACIVSA-N 1 2 363.421 2.301 20 30 FEEDLO N#C[C@H](c1ccccc1)N1CC[NH+](Cc2ccc3c(c2)NC(=O)CO3)CC1 ZINC000276456624 550578588 /nfs/dbraw/zinc/57/85/88/550578588.db2.gz NHUNGZPQWOWGPC-LJQANCHMSA-N 1 2 362.433 2.400 20 30 FEEDLO C[C@H](C(=O)N(C)CCC#N)[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000277621017 550692930 /nfs/dbraw/zinc/69/29/30/550692930.db2.gz AHVRAXPUPFTEOH-CQSZACIVSA-N 1 2 359.861 2.094 20 30 FEEDLO N#Cc1ccc(CN(C(=O)NCC2([NH+]3CCOCC3)CC2)C2CC2)cc1 ZINC000277672397 550699744 /nfs/dbraw/zinc/69/97/44/550699744.db2.gz SLZJAMSAAZQIPC-UHFFFAOYSA-N 1 2 354.454 2.097 20 30 FEEDLO CCOC1CC(CNc2cc(C#N)ccc2[N+](=O)[O-])([NH+]2CCOCC2)C1 ZINC000277781977 550713587 /nfs/dbraw/zinc/71/35/87/550713587.db2.gz FOZNQPOUQAHLFN-UHFFFAOYSA-N 1 2 360.414 2.148 20 30 FEEDLO CCOC1CC(CNc2c(C#N)nnc3ccccc32)([NH+]2CCOCC2)C1 ZINC000278037059 550741735 /nfs/dbraw/zinc/74/17/35/550741735.db2.gz QIOFIXAEOUXMJE-UHFFFAOYSA-N 1 2 367.453 2.183 20 30 FEEDLO COc1ccc(CN2CC(=O)C(=C3N(C)c4ccccc4N3C)C2=[NH2+])nc1 ZINC000278186465 550758867 /nfs/dbraw/zinc/75/88/67/550758867.db2.gz GCPJQXLQALCYIN-UHFFFAOYSA-N 1 2 363.421 2.250 20 30 FEEDLO CC[C@@H]1C(=O)N(CC)CC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000495210759 561484529 /nfs/dbraw/zinc/48/45/29/561484529.db2.gz LJFATLPVKSTGSU-OAHLLOKOSA-N 1 2 374.510 2.380 20 30 FEEDLO CC[C@@H]1C(=O)N(CC)CC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000495210759 561484530 /nfs/dbraw/zinc/48/45/30/561484530.db2.gz LJFATLPVKSTGSU-OAHLLOKOSA-N 1 2 374.510 2.380 20 30 FEEDLO C#CCn1ccc(C[N@@H+](CC)[C@@H](C)C(=O)Nc2cccc(NC(C)=O)c2)n1 ZINC000279832933 550933736 /nfs/dbraw/zinc/93/37/36/550933736.db2.gz ZRPZSEIGXUXMRV-HNNXBMFYSA-N 1 2 367.453 2.324 20 30 FEEDLO C#CCn1ccc(C[N@H+](CC)[C@@H](C)C(=O)Nc2cccc(NC(C)=O)c2)n1 ZINC000279832933 550933738 /nfs/dbraw/zinc/93/37/38/550933738.db2.gz ZRPZSEIGXUXMRV-HNNXBMFYSA-N 1 2 367.453 2.324 20 30 FEEDLO Cc1ccc(N(CCC#N)C(=O)C[N@H+]2C[C@H](C)O[C@]3(CCOC3)C2)cc1C ZINC000280235311 550973599 /nfs/dbraw/zinc/97/35/99/550973599.db2.gz AQILTAVZXJBTOZ-GHTZIAJQSA-N 1 2 371.481 2.430 20 30 FEEDLO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2C[C@H](C)O[C@]3(CCOC3)C2)cc1C ZINC000280235311 550973600 /nfs/dbraw/zinc/97/36/00/550973600.db2.gz AQILTAVZXJBTOZ-GHTZIAJQSA-N 1 2 371.481 2.430 20 30 FEEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1=O ZINC000281170018 551070167 /nfs/dbraw/zinc/07/01/67/551070167.db2.gz ADWYKOGIFVWDEB-CRAIPNDOSA-N 1 2 372.444 2.180 20 30 FEEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1=O ZINC000281170018 551070168 /nfs/dbraw/zinc/07/01/68/551070168.db2.gz ADWYKOGIFVWDEB-CRAIPNDOSA-N 1 2 372.444 2.180 20 30 FEEDLO C=CCN1CC[C@H](N(C)C(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)C1=O ZINC000281222535 551075249 /nfs/dbraw/zinc/07/52/49/551075249.db2.gz DLGVSCRZXPVIHP-ROUUACIJSA-N 1 2 373.522 2.022 20 30 FEEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)C(=O)Nc2ccc(OC(F)F)cc2)C1=O ZINC000281373075 551089597 /nfs/dbraw/zinc/08/95/97/551089597.db2.gz OQYQXKBBIDWKGB-IUODEOHRSA-N 1 2 367.396 2.334 20 30 FEEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](C)C(=O)Nc2ccc(OC(F)F)cc2)C1=O ZINC000281373075 551089600 /nfs/dbraw/zinc/08/96/00/551089600.db2.gz OQYQXKBBIDWKGB-IUODEOHRSA-N 1 2 367.396 2.334 20 30 FEEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N(CCC#N)c2cccc(C)c2C)C1=O ZINC000281462592 551100608 /nfs/dbraw/zinc/10/06/08/551100608.db2.gz VKZDWALCYKUCJQ-IBGZPJMESA-N 1 2 368.481 2.269 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N(CCC#N)c2cccc(C)c2C)C1=O ZINC000281462592 551100609 /nfs/dbraw/zinc/10/06/09/551100609.db2.gz VKZDWALCYKUCJQ-IBGZPJMESA-N 1 2 368.481 2.269 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000281560103 551113333 /nfs/dbraw/zinc/11/33/33/551113333.db2.gz NWBXWHDPXLPCIU-JZXOWHBKSA-N 1 2 374.485 2.292 20 30 FEEDLO C=CCn1c(=O)c2ccc(C(=O)N3CCC[C@H](CC[NH3+])C3)cc2[nH]c1=S ZINC000282105762 551181162 /nfs/dbraw/zinc/18/11/62/551181162.db2.gz ZTDBVFUHZYBVAO-CYBMUJFWSA-N 1 2 372.494 2.072 20 30 FEEDLO C#C[C@H](NC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1)C(C)C ZINC000282119667 551183180 /nfs/dbraw/zinc/18/31/80/551183180.db2.gz FKLHRIRQQKOVFF-SFHVURJKSA-N 1 2 356.470 2.047 20 30 FEEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc[nH]3)n2Cc2cccs2)CC1 ZINC000283001400 551296043 /nfs/dbraw/zinc/29/60/43/551296043.db2.gz NGIQHAPNPNNFKV-UHFFFAOYSA-N 1 2 352.467 2.138 20 30 FEEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000283084199 551309095 /nfs/dbraw/zinc/30/90/95/551309095.db2.gz KWSMVLRXFXKICL-GFCCVEGCSA-N 1 2 356.361 2.106 20 30 FEEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000283084199 551309097 /nfs/dbraw/zinc/30/90/97/551309097.db2.gz KWSMVLRXFXKICL-GFCCVEGCSA-N 1 2 356.361 2.106 20 30 FEEDLO C=C(C)CN(CC)C(=O)C(=O)N[C@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000284468727 551555234 /nfs/dbraw/zinc/55/52/34/551555234.db2.gz WPNMWXYZLAXPRN-INIZCTEOSA-N 1 2 358.417 2.189 20 30 FEEDLO C=CCCCCNC(=O)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1F ZINC000284526062 551569793 /nfs/dbraw/zinc/56/97/93/551569793.db2.gz ZSBQJBVENYZHEZ-MRXNPFEDSA-N 1 2 358.417 2.237 20 30 FEEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCO[C@]2(CCCOC2)C1 ZINC000285332677 551739776 /nfs/dbraw/zinc/73/97/76/551739776.db2.gz OAWIRKRJAHTBTG-YLJYHZDGSA-N 1 2 357.454 2.203 20 30 FEEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCO[C@]2(CCCOC2)C1 ZINC000285332677 551739777 /nfs/dbraw/zinc/73/97/77/551739777.db2.gz OAWIRKRJAHTBTG-YLJYHZDGSA-N 1 2 357.454 2.203 20 30 FEEDLO C[C@H](C(=O)Nc1cccc(F)c1)[NH+]1CCN(c2ccnc(C#N)c2)CC1 ZINC000286253179 551866056 /nfs/dbraw/zinc/86/60/56/551866056.db2.gz IWODPDKKRZFPKY-CQSZACIVSA-N 1 2 353.401 2.242 20 30 FEEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000286488266 551891710 /nfs/dbraw/zinc/89/17/10/551891710.db2.gz LRXBXOVWRXEGIU-MRVWCRGKSA-N 1 2 355.360 2.378 20 30 FEEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000286488266 551891711 /nfs/dbraw/zinc/89/17/11/551891711.db2.gz LRXBXOVWRXEGIU-MRVWCRGKSA-N 1 2 355.360 2.378 20 30 FEEDLO Cc1nsc(N2CC[NH+]([C@@H](C)C(=O)N3CCCCCC3)CC2)c1C#N ZINC000287489483 552010975 /nfs/dbraw/zinc/01/09/75/552010975.db2.gz UBAKSUYYMXGMDR-HNNXBMFYSA-N 1 2 361.515 2.236 20 30 FEEDLO Cc1ccc(CSCC(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1 ZINC000499348185 561549396 /nfs/dbraw/zinc/54/93/96/561549396.db2.gz DIRJUWYSMZWYOD-UHFFFAOYSA-N 1 2 361.511 2.303 20 30 FEEDLO C#CC[C@H](Cc1ccccc1)NC(=O)N1CC[C@H]([NH+]2CCN(CC)CC2)C1 ZINC000288240569 552117078 /nfs/dbraw/zinc/11/70/78/552117078.db2.gz SFWNDKOFORGRBS-RTWAWAEBSA-N 1 2 368.525 2.042 20 30 FEEDLO Cc1cc(C#N)nc(N2CCN(Cc3cn4cc(Cl)ccc4[nH+]3)CC2)n1 ZINC000288383463 552144145 /nfs/dbraw/zinc/14/41/45/552144145.db2.gz KJVGSPBEDWVMSC-UHFFFAOYSA-N 1 2 367.844 2.280 20 30 FEEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)Nc2ccc(N3CCCC3)cc2C)C1=O ZINC000500023785 561564397 /nfs/dbraw/zinc/56/43/97/561564397.db2.gz JHQFJOBGKRRQLV-IBGZPJMESA-N 1 2 370.497 2.252 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)Nc2ccc(N3CCCC3)cc2C)C1=O ZINC000500023785 561564398 /nfs/dbraw/zinc/56/43/98/561564398.db2.gz JHQFJOBGKRRQLV-IBGZPJMESA-N 1 2 370.497 2.252 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N(C)[C@H](C)c2ccc(F)c(F)c2)C1=O ZINC000500026685 561564489 /nfs/dbraw/zinc/56/44/89/561564489.db2.gz RPJBTHNDSCSHEN-DYVFJYSZSA-N 1 2 365.424 2.203 20 30 FEEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N(C)[C@H](C)c2ccc(F)c(F)c2)C1=O ZINC000500026685 561564490 /nfs/dbraw/zinc/56/44/90/561564490.db2.gz RPJBTHNDSCSHEN-DYVFJYSZSA-N 1 2 365.424 2.203 20 30 FEEDLO C[C@H](Cn1cc[nH+]c1)Nc1ccc(C#N)c(N[C@H](C)Cn2ccnc2)n1 ZINC000290471702 552484296 /nfs/dbraw/zinc/48/42/96/552484296.db2.gz GQRXJYUBQXKLIV-HUUCEWRRSA-N 1 2 350.430 2.347 20 30 FEEDLO C[C@H](Cn1ccnc1)Nc1ccc(C#N)c(N[C@H](C)Cn2cc[nH+]c2)n1 ZINC000290471702 552484298 /nfs/dbraw/zinc/48/42/98/552484298.db2.gz GQRXJYUBQXKLIV-HUUCEWRRSA-N 1 2 350.430 2.347 20 30 FEEDLO C=CC[N@@H+](C[C@H](O)c1ccc(C(F)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000291178948 552596761 /nfs/dbraw/zinc/59/67/61/552596761.db2.gz NZWLDMPZBADBDJ-CABCVRRESA-N 1 2 363.401 2.414 20 30 FEEDLO C=CC[N@H+](C[C@H](O)c1ccc(C(F)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000291178948 552596763 /nfs/dbraw/zinc/59/67/63/552596763.db2.gz NZWLDMPZBADBDJ-CABCVRRESA-N 1 2 363.401 2.414 20 30 FEEDLO Cc1cc(C[NH+]2CCN(c3oc(-c4ccco4)nc3C#N)CC2)ncn1 ZINC000292356001 552719084 /nfs/dbraw/zinc/71/90/84/552719084.db2.gz FCUGRWMSFVVQDS-UHFFFAOYSA-N 1 2 350.382 2.227 20 30 FEEDLO CC#CC[N@@H+](C)Cc1nc2cc(S(=O)(=O)N(C)C)ccc2n1CCC ZINC000293076349 552786477 /nfs/dbraw/zinc/78/64/77/552786477.db2.gz JIGCMUKWHIKRSB-UHFFFAOYSA-N 1 2 362.499 2.152 20 30 FEEDLO CC#CC[N@H+](C)Cc1nc2cc(S(=O)(=O)N(C)C)ccc2n1CCC ZINC000293076349 552786478 /nfs/dbraw/zinc/78/64/78/552786478.db2.gz JIGCMUKWHIKRSB-UHFFFAOYSA-N 1 2 362.499 2.152 20 30 FEEDLO C=CCC(F)(F)C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000294174206 552887593 /nfs/dbraw/zinc/88/75/93/552887593.db2.gz QBDRRBAJDPUMDU-UHFFFAOYSA-N 1 2 354.397 2.225 20 30 FEEDLO C[C@@H](CNS(=O)(=O)CC(C)(C)CC#N)[N@@H+]1CCc2sccc2C1 ZINC000295173534 552966275 /nfs/dbraw/zinc/96/62/75/552966275.db2.gz HBYFNNKNTDDLQW-ZDUSSCGKSA-N 1 2 355.529 2.354 20 30 FEEDLO C[C@@H](CNS(=O)(=O)CC(C)(C)CC#N)[N@H+]1CCc2sccc2C1 ZINC000295173534 552966277 /nfs/dbraw/zinc/96/62/77/552966277.db2.gz HBYFNNKNTDDLQW-ZDUSSCGKSA-N 1 2 355.529 2.354 20 30 FEEDLO Cc1ccnc(-c2noc(C[N@@H+]3CC[C@H](Oc4ccc(C#N)cn4)C3)n2)c1 ZINC000295254090 552976662 /nfs/dbraw/zinc/97/66/62/552976662.db2.gz XDFXBIMCJNLXSG-HNNXBMFYSA-N 1 2 362.393 2.360 20 30 FEEDLO Cc1ccnc(-c2noc(C[N@H+]3CC[C@H](Oc4ccc(C#N)cn4)C3)n2)c1 ZINC000295254090 552976664 /nfs/dbraw/zinc/97/66/64/552976664.db2.gz XDFXBIMCJNLXSG-HNNXBMFYSA-N 1 2 362.393 2.360 20 30 FEEDLO C[C@H]1CN(c2ccc(CNc3ncc(C#N)cc3[N+](=O)[O-])c[nH+]2)CCO1 ZINC000296563586 553180086 /nfs/dbraw/zinc/18/00/86/553180086.db2.gz PTGGJAQOTUNVDB-LBPRGKRZSA-N 1 2 354.370 2.094 20 30 FEEDLO C[N@@H+]1CCO[C@@H]([C@H](NC(=O)c2cc(C#N)ccn2)c2ccc(Cl)cc2)C1 ZINC000502861983 561628217 /nfs/dbraw/zinc/62/82/17/561628217.db2.gz NNZWCBPWBKTXGA-QZTJIDSGSA-N 1 2 370.840 2.408 20 30 FEEDLO C[N@H+]1CCO[C@@H]([C@H](NC(=O)c2cc(C#N)ccn2)c2ccc(Cl)cc2)C1 ZINC000502861983 561628218 /nfs/dbraw/zinc/62/82/18/561628218.db2.gz NNZWCBPWBKTXGA-QZTJIDSGSA-N 1 2 370.840 2.408 20 30 FEEDLO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CC[S@@](=O)CC2(C)C)c(OC)c1 ZINC000502915006 561629847 /nfs/dbraw/zinc/62/98/47/561629847.db2.gz RWIKJZJZNLHLHW-IVCQMTBJSA-N 1 2 367.511 2.006 20 30 FEEDLO C=CCc1ccc(OC[C@@H](O)C[N@H+]2CC[S@@](=O)CC2(C)C)c(OC)c1 ZINC000502915006 561629848 /nfs/dbraw/zinc/62/98/48/561629848.db2.gz RWIKJZJZNLHLHW-IVCQMTBJSA-N 1 2 367.511 2.006 20 30 FEEDLO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CC[S@](=O)CC2(C)C)c(OC)c1 ZINC000502915005 561629977 /nfs/dbraw/zinc/62/99/77/561629977.db2.gz RWIKJZJZNLHLHW-CPJLOUKISA-N 1 2 367.511 2.006 20 30 FEEDLO C=CCc1ccc(OC[C@H](O)C[N@H+]2CC[S@](=O)CC2(C)C)c(OC)c1 ZINC000502915005 561629978 /nfs/dbraw/zinc/62/99/78/561629978.db2.gz RWIKJZJZNLHLHW-CPJLOUKISA-N 1 2 367.511 2.006 20 30 FEEDLO CC#CCN(C)C(=O)N[C@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1 ZINC000297327777 553278857 /nfs/dbraw/zinc/27/88/57/553278857.db2.gz GKOJCRCDIMSZEM-KRWDZBQOSA-N 1 2 356.426 2.191 20 30 FEEDLO C[C@H]1CCN(C(=O)C(=O)N2CCC(C#N)([NH+](C)C)CC2)[C@H](c2ccco2)C1 ZINC000297667425 553322509 /nfs/dbraw/zinc/32/25/09/553322509.db2.gz GDGOVSBTZLWFFC-HOTGVXAUSA-N 1 2 372.469 2.026 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC000298306393 553410669 /nfs/dbraw/zinc/41/06/69/553410669.db2.gz NZNONFPJSDUWQJ-HXUWFJFHSA-N 1 2 374.460 2.028 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC000298306393 553410672 /nfs/dbraw/zinc/41/06/72/553410672.db2.gz NZNONFPJSDUWQJ-HXUWFJFHSA-N 1 2 374.460 2.028 20 30 FEEDLO N#Cc1ccsc1N1CC[C@@H]([NH+]2CCC(c3ccncn3)CC2)C1=O ZINC000298541487 553437981 /nfs/dbraw/zinc/43/79/81/553437981.db2.gz XNKLOMPUUZUEDB-MRXNPFEDSA-N 1 2 353.451 2.395 20 30 FEEDLO C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1C)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000299009565 553502821 /nfs/dbraw/zinc/50/28/21/553502821.db2.gz CSGFYORVFGTUAK-SOLBZPMBSA-N 1 2 355.486 2.159 20 30 FEEDLO C#CCN(CC)C(=O)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000299198409 553529198 /nfs/dbraw/zinc/52/91/98/553529198.db2.gz LHMNLWLHBQJGPM-UHFFFAOYSA-N 1 2 350.422 2.307 20 30 FEEDLO C[C@@H]1C[C@H](C)CN(C(=O)CO[NH+]=C(N)c2ccc(N3CCCCC3)nc2)C1 ZINC000299318675 553546951 /nfs/dbraw/zinc/54/69/51/553546951.db2.gz KGEKWSJUFLZDTF-IYBDPMFKSA-N 1 2 373.501 2.213 20 30 FEEDLO N#Cc1cnc2ccccc2c1N1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC000301130269 553624480 /nfs/dbraw/zinc/62/44/80/553624480.db2.gz QVRBBTNIGRLJLW-UHFFFAOYSA-N 1 2 363.465 2.241 20 30 FEEDLO Cn1c(Nc2ccc([NH2+]C3CCCCC3)cc2)c(C#N)c(=O)n(C)c1=O ZINC000301141878 553625324 /nfs/dbraw/zinc/62/53/24/553625324.db2.gz CCTRMAMBFOXYHZ-UHFFFAOYSA-N 1 2 353.426 2.444 20 30 FEEDLO N#Cc1cccc(F)c1CC(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000505170010 561667208 /nfs/dbraw/zinc/66/72/08/561667208.db2.gz YJEOKBGYMFFIOW-UHFFFAOYSA-N 1 2 367.424 2.463 20 30 FEEDLO Cc1nc(CNC(=O)N(C)C[C@@H]2C[C@H](F)C[N@@H+]2Cc2cccs2)no1 ZINC000328621481 553797251 /nfs/dbraw/zinc/79/72/51/553797251.db2.gz ANYYJLCUIWWQTQ-STQMWFEESA-N 1 2 367.450 2.398 20 30 FEEDLO Cc1nc(CNC(=O)N(C)C[C@@H]2C[C@H](F)C[N@H+]2Cc2cccs2)no1 ZINC000328621481 553797253 /nfs/dbraw/zinc/79/72/53/553797253.db2.gz ANYYJLCUIWWQTQ-STQMWFEESA-N 1 2 367.450 2.398 20 30 FEEDLO O=C(CN1CCn2cc[nH+]c2C1)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000328662993 553804113 /nfs/dbraw/zinc/80/41/13/553804113.db2.gz XSCNKENBKARXPV-UHFFFAOYSA-N 1 2 367.453 2.226 20 30 FEEDLO CC(C)(C(=O)N[C@H]1CCN(C(=O)CCc2ccccc2)C1)[NH+]1CCOCC1 ZINC000328692847 553808472 /nfs/dbraw/zinc/80/84/72/553808472.db2.gz RXHORPZQFHWYIU-SFHVURJKSA-N 1 2 373.497 2.287 20 30 FEEDLO C[N@@H+]1CC[C@H](NC(=O)N2CC[C@](F)(CO)C2)[C@H]1c1ccc(F)c(F)c1 ZINC000328707249 553810309 /nfs/dbraw/zinc/81/03/09/553810309.db2.gz PXOFPDWTTGMOAD-ZMSDIMECSA-N 1 2 357.376 2.030 20 30 FEEDLO C[N@H+]1CC[C@H](NC(=O)N2CC[C@](F)(CO)C2)[C@H]1c1ccc(F)c(F)c1 ZINC000328707249 553810312 /nfs/dbraw/zinc/81/03/12/553810312.db2.gz PXOFPDWTTGMOAD-ZMSDIMECSA-N 1 2 357.376 2.030 20 30 FEEDLO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1cn2c(n1)CCCC2 ZINC000328715726 553811176 /nfs/dbraw/zinc/81/11/76/553811176.db2.gz ONUVBMQBTHUYBK-QGZVFWFLSA-N 1 2 354.454 2.425 20 30 FEEDLO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1cn2c(n1)CCCC2 ZINC000328715726 553811178 /nfs/dbraw/zinc/81/11/78/553811178.db2.gz ONUVBMQBTHUYBK-QGZVFWFLSA-N 1 2 354.454 2.425 20 30 FEEDLO C[C@@](O)(CNC(=O)c1coc(C2CCCCC2)n1)C[NH+]1CCOCC1 ZINC000328743759 553815438 /nfs/dbraw/zinc/81/54/38/553815438.db2.gz NPUDIOONGXRWCW-GOSISDBHSA-N 1 2 351.447 2.110 20 30 FEEDLO C=CCN1CC[C@@H]([N@@H+]2CCCC[C@H]2C(=O)Nc2ccc3c(c2)CCO3)C1=O ZINC000328767559 553819381 /nfs/dbraw/zinc/81/93/81/553819381.db2.gz FRDUIXLMMQYPLA-ZWKOTPCHSA-N 1 2 369.465 2.201 20 30 FEEDLO C=CCN1CC[C@@H]([N@H+]2CCCC[C@H]2C(=O)Nc2ccc3c(c2)CCO3)C1=O ZINC000328767559 553819382 /nfs/dbraw/zinc/81/93/82/553819382.db2.gz FRDUIXLMMQYPLA-ZWKOTPCHSA-N 1 2 369.465 2.201 20 30 FEEDLO CC1CCN(C(=O)N[C@@H]2CCC(=O)N(C3CC3)[C@H]2c2c[nH+]cn2C)CC1 ZINC000328936281 553848317 /nfs/dbraw/zinc/84/83/17/553848317.db2.gz FUDRVIAOWHVLFQ-CRAIPNDOSA-N 1 2 359.474 2.261 20 30 FEEDLO Cc1ccn(-c2ccccc2NC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)n1 ZINC000329005865 553863090 /nfs/dbraw/zinc/86/30/90/553863090.db2.gz YUCYJUQLKOFCTI-MSOLQXFVSA-N 1 2 355.442 2.131 20 30 FEEDLO Cc1ccn(-c2ccccc2NC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)n1 ZINC000329005865 553863093 /nfs/dbraw/zinc/86/30/93/553863093.db2.gz YUCYJUQLKOFCTI-MSOLQXFVSA-N 1 2 355.442 2.131 20 30 FEEDLO O=C(C[N@H+]1C[C@@H](F)C[C@H]1CO)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000329023495 553866677 /nfs/dbraw/zinc/86/66/77/553866677.db2.gz ITBQWSLDHXNFRK-VMJZLSGTSA-N 1 2 353.438 2.230 20 30 FEEDLO O=C(C[N@@H+]1C[C@@H](F)C[C@H]1CO)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000329023495 553866679 /nfs/dbraw/zinc/86/66/79/553866679.db2.gz ITBQWSLDHXNFRK-VMJZLSGTSA-N 1 2 353.438 2.230 20 30 FEEDLO CCn1cnc2c1ncnc2N1CC[NH+]([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC000329029606 553867497 /nfs/dbraw/zinc/86/74/97/553867497.db2.gz WRDAUIQNBCHZEK-AWEZNQCLSA-N 1 2 371.489 2.256 20 30 FEEDLO O=C(C[N@@H+]1CCO[C@@]2(CCCOC2)C1)NCc1cnn(-c2ccccc2)c1 ZINC000329048302 553871170 /nfs/dbraw/zinc/87/11/70/553871170.db2.gz GIRBCPRIJATUNN-FQEVSTJZSA-N 1 2 370.453 2.210 20 30 FEEDLO O=C(C[N@H+]1CCO[C@@]2(CCCOC2)C1)NCc1cnn(-c2ccccc2)c1 ZINC000329048302 553871172 /nfs/dbraw/zinc/87/11/72/553871172.db2.gz GIRBCPRIJATUNN-FQEVSTJZSA-N 1 2 370.453 2.210 20 30 FEEDLO Cc1ncc(C[NH+]2CCN(C(=O)NC[C@@H]3CCO[C@@H](C)C3)CC2)s1 ZINC000329106127 553881701 /nfs/dbraw/zinc/88/17/01/553881701.db2.gz HIEKAFIJQAUJSR-DZGCQCFKSA-N 1 2 352.504 2.298 20 30 FEEDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)N[C@@H]2CCO[C@@]3(CCOC3)C2)CC1 ZINC000329112608 553882728 /nfs/dbraw/zinc/88/27/28/553882728.db2.gz KUALMRAVFVWMBH-POAQFYNOSA-N 1 2 374.485 2.012 20 30 FEEDLO Cc1noc([C@H](NC(=O)[C@@H](C)[NH+]2CCSCC2)C2CCOCC2)n1 ZINC000329122436 553884161 /nfs/dbraw/zinc/88/41/61/553884161.db2.gz KVZYRVYJDGAGFT-BXUZGUMPSA-N 1 2 354.476 2.240 20 30 FEEDLO Cc1ccc([C@H](C)NC(=O)C[N@@H+]2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)cc1C ZINC000329160959 553891961 /nfs/dbraw/zinc/89/19/61/553891961.db2.gz FKSBURTYFUKQEF-BHYGNILZSA-N 1 2 350.484 2.440 20 30 FEEDLO Cc1ccc([C@H](C)NC(=O)C[N@H+]2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)cc1C ZINC000329160959 553891963 /nfs/dbraw/zinc/89/19/63/553891963.db2.gz FKSBURTYFUKQEF-BHYGNILZSA-N 1 2 350.484 2.440 20 30 FEEDLO C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+]1CCO[C@@H](Cn2cncn2)C1 ZINC000329189986 553898829 /nfs/dbraw/zinc/89/88/29/553898829.db2.gz RQSOTKFJMCFBPH-MVJVIOSPSA-N 1 2 373.501 2.293 20 30 FEEDLO C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+]1CCO[C@@H](Cn2cncn2)C1 ZINC000329189986 553898831 /nfs/dbraw/zinc/89/88/31/553898831.db2.gz RQSOTKFJMCFBPH-MVJVIOSPSA-N 1 2 373.501 2.293 20 30 FEEDLO O=C(C[N@@H+]1CCC[C@H](n2cncn2)C1)Nc1ccc2c(c1)OCCCO2 ZINC000329207492 553902710 /nfs/dbraw/zinc/90/27/10/553902710.db2.gz YKCMFAKMLSNMCQ-HNNXBMFYSA-N 1 2 357.414 2.365 20 30 FEEDLO O=C(C[N@H+]1CCC[C@H](n2cncn2)C1)Nc1ccc2c(c1)OCCCO2 ZINC000329207492 553902712 /nfs/dbraw/zinc/90/27/12/553902712.db2.gz YKCMFAKMLSNMCQ-HNNXBMFYSA-N 1 2 357.414 2.365 20 30 FEEDLO C[C@H](NC(=O)N[C@@H]1CCC(=O)N[C@H]1C(C)(C)C)[C@H](C)[NH+]1CCOCC1 ZINC000329225133 553905951 /nfs/dbraw/zinc/90/59/51/553905951.db2.gz FZHSAJTVGAGUEH-TTZDDIAXSA-N 1 2 354.495 2.133 20 30 FEEDLO CC1(C)COCC[N@@H+]1CCNC(=O)[C@@H]1CCCC[C@@H]1C(=O)N1CCCC1 ZINC000329259702 553912869 /nfs/dbraw/zinc/91/28/69/553912869.db2.gz YTKXFKUPFPGJQI-SJORKVTESA-N 1 2 365.518 2.483 20 30 FEEDLO CC1(C)COCC[N@H+]1CCNC(=O)[C@@H]1CCCC[C@@H]1C(=O)N1CCCC1 ZINC000329259702 553912872 /nfs/dbraw/zinc/91/28/72/553912872.db2.gz YTKXFKUPFPGJQI-SJORKVTESA-N 1 2 365.518 2.483 20 30 FEEDLO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000329276084 553915600 /nfs/dbraw/zinc/91/56/00/553915600.db2.gz KFEQOBMETXTDMA-UHFFFAOYSA-N 1 2 353.426 2.338 20 30 FEEDLO CCn1cc[nH+]c1[C@H](NC(=O)N1CCCO[C@H](C)C1)C1CCOCC1 ZINC000329313316 553923200 /nfs/dbraw/zinc/92/32/00/553923200.db2.gz CFYYVCJDSWKQCJ-GDBMZVCRSA-N 1 2 350.463 2.396 20 30 FEEDLO Cc1nnc(CNC(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1C ZINC000329324541 553925482 /nfs/dbraw/zinc/92/54/82/553925482.db2.gz SMOYPOMELSCAOB-OKILXGFUSA-N 1 2 372.473 2.259 20 30 FEEDLO Cc1nnc(CNC(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1C ZINC000329324541 553925486 /nfs/dbraw/zinc/92/54/86/553925486.db2.gz SMOYPOMELSCAOB-OKILXGFUSA-N 1 2 372.473 2.259 20 30 FEEDLO O=C(N[C@H]1CCCN(C(=O)N2CCCC2)C1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000329480657 553954531 /nfs/dbraw/zinc/95/45/31/553954531.db2.gz DBBHVLDQHPKWJW-INIZCTEOSA-N 1 2 374.489 2.183 20 30 FEEDLO O=C(N[C@H]1CCCN(C(=O)N2CCCC2)C1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000329480657 553954535 /nfs/dbraw/zinc/95/45/35/553954535.db2.gz DBBHVLDQHPKWJW-INIZCTEOSA-N 1 2 374.489 2.183 20 30 FEEDLO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)Nc2cccc3c2OCO3)CC1 ZINC000329486176 553956077 /nfs/dbraw/zinc/95/60/77/553956077.db2.gz XJJUFEKXBFGOHI-UHFFFAOYSA-N 1 2 371.441 2.129 20 30 FEEDLO O=C(NC[C@H]1CC(=O)N(Cc2ccccc2)C1)C1([NH+]2CCOCC2)CCC1 ZINC000329491696 553956962 /nfs/dbraw/zinc/95/69/62/553956962.db2.gz ZKUFELXCHLMXRO-GOSISDBHSA-N 1 2 371.481 2.247 20 30 FEEDLO Cc1ccc([C@H](CNC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]23)[NH+]2CCOCC2)cc1 ZINC000329495629 553957793 /nfs/dbraw/zinc/95/77/93/553957793.db2.gz FQPQNWBAVSSYCI-ZGXWSNOMSA-N 1 2 374.481 2.376 20 30 FEEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NS(=O)(=O)CC1(C#N)CCCC1)C2 ZINC000329545821 553964817 /nfs/dbraw/zinc/96/48/17/553964817.db2.gz ZRYQDQUEMYSPKC-CQSZACIVSA-N 1 2 364.515 2.499 20 30 FEEDLO C[N@@H+](CC(=O)NC12CC3CC(CC(C3)C1)C2)C[C@@H]1CCS(=O)(=O)C1 ZINC000329597665 553974452 /nfs/dbraw/zinc/97/44/52/553974452.db2.gz WDXJENMOSXYESI-IILDEKEXSA-N 1 2 354.516 2.278 20 30 FEEDLO C[N@H+](CC(=O)NC12CC3CC(CC(C3)C1)C2)C[C@@H]1CCS(=O)(=O)C1 ZINC000329597665 553974453 /nfs/dbraw/zinc/97/44/53/553974453.db2.gz WDXJENMOSXYESI-IILDEKEXSA-N 1 2 354.516 2.278 20 30 FEEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1c1ncccn1 ZINC000329623574 553978426 /nfs/dbraw/zinc/97/84/26/553978426.db2.gz UVKJYMDFYMRXEU-XDNAFOTISA-N 1 2 373.501 2.291 20 30 FEEDLO C[C@H](C(=O)NC1(c2ncon2)CCOCC1)[N@@H+]1CCc2ccccc2C1 ZINC000329723332 553995351 /nfs/dbraw/zinc/99/53/51/553995351.db2.gz CTDFBGUEEFUHEQ-CQSZACIVSA-N 1 2 356.426 2.479 20 30 FEEDLO C[C@H](C(=O)NC1(c2ncon2)CCOCC1)[N@H+]1CCc2ccccc2C1 ZINC000329723332 553995353 /nfs/dbraw/zinc/99/53/53/553995353.db2.gz CTDFBGUEEFUHEQ-CQSZACIVSA-N 1 2 356.426 2.479 20 30 FEEDLO [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1C[C@H](O)C[C@H]1c1ccc(F)c(F)c1 ZINC000329735331 553997301 /nfs/dbraw/zinc/99/73/01/553997301.db2.gz KWRDSANLBAKGQF-QFSBIZTOSA-N 1 2 362.380 2.267 20 30 FEEDLO [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1C[C@H](O)C[C@H]1c1ccc(F)c(F)c1 ZINC000329735331 553997304 /nfs/dbraw/zinc/99/73/04/553997304.db2.gz KWRDSANLBAKGQF-QFSBIZTOSA-N 1 2 362.380 2.267 20 30 FEEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)N1CCOCC3(CCOCC3)C1)CCC2 ZINC000329767227 554002341 /nfs/dbraw/zinc/00/23/41/554002341.db2.gz ZEUXNAQBNGUHRD-MRXNPFEDSA-N 1 2 362.474 2.112 20 30 FEEDLO C[NH+]1CCN(C(=O)c2cc(NC(=O)NC3(C)CCCCC3)ccn2)CC1 ZINC000329811249 554010297 /nfs/dbraw/zinc/01/02/97/554010297.db2.gz CRAVQNLTXQUWCA-UHFFFAOYSA-N 1 2 359.474 2.327 20 30 FEEDLO Cn1cc[nH+]c1[C@@H]1CN(CC(=O)Nc2nc3c(s2)CCCC3)CCN1C ZINC000329895361 554026165 /nfs/dbraw/zinc/02/61/65/554026165.db2.gz BUCLPYMQRCTKNH-AWEZNQCLSA-N 1 2 374.514 2.332 20 30 FEEDLO C[C@@H]1OCC[C@]12C[N@H+](CC(=O)NCCc1c(F)cccc1F)CCO2 ZINC000329896564 554026909 /nfs/dbraw/zinc/02/69/09/554026909.db2.gz CLNGLIYETYABTN-UGSOOPFHSA-N 1 2 354.397 2.344 20 30 FEEDLO C[C@@H]1OCC[C@]12C[N@@H+](CC(=O)NCCc1c(F)cccc1F)CCO2 ZINC000329896564 554026912 /nfs/dbraw/zinc/02/69/12/554026912.db2.gz CLNGLIYETYABTN-UGSOOPFHSA-N 1 2 354.397 2.344 20 30 FEEDLO Cc1cc(C)c(NC(=O)CNC(=O)CN2C[C@@H]3[C@H](C2)OCC[N@H+]3C)c(C)c1 ZINC000329924916 554032706 /nfs/dbraw/zinc/03/27/06/554032706.db2.gz JMMZWVRFXNHEJY-SJORKVTESA-N 1 2 374.485 2.171 20 30 FEEDLO Cc1cc(C)c(NC(=O)CNC(=O)CN2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)c(C)c1 ZINC000329924916 554032709 /nfs/dbraw/zinc/03/27/09/554032709.db2.gz JMMZWVRFXNHEJY-SJORKVTESA-N 1 2 374.485 2.171 20 30 FEEDLO Cc1cc(C)c(NC(=O)CNC(=O)C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3C)c(C)c1 ZINC000329924916 554032711 /nfs/dbraw/zinc/03/27/11/554032711.db2.gz JMMZWVRFXNHEJY-SJORKVTESA-N 1 2 374.485 2.171 20 30 FEEDLO Cc1cc(C)c(NC(=O)CNC(=O)C[N@H+]2C[C@@H]3[C@H](C2)OCCN3C)c(C)c1 ZINC000329924916 554032715 /nfs/dbraw/zinc/03/27/15/554032715.db2.gz JMMZWVRFXNHEJY-SJORKVTESA-N 1 2 374.485 2.171 20 30 FEEDLO C[C@H]1CN(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C[C@H](CO)O1 ZINC000329960402 554038974 /nfs/dbraw/zinc/03/89/74/554038974.db2.gz RCNRDJBFRSGYJK-GOEBONIOSA-N 1 2 368.437 2.229 20 30 FEEDLO CC(C)O[C@@H]1C[C@H](NC(=O)N2CCN(C)[C@H](c3[nH+]ccn3C)C2)C1(C)C ZINC000329966103 554040577 /nfs/dbraw/zinc/04/05/77/554040577.db2.gz RNCKNYFORPXHFX-HRCADAONSA-N 1 2 363.506 2.215 20 30 FEEDLO CCN1CCN(C(=O)N[C@H](C)c2ccncc2OC)C[C@H]1c1[nH]cc[nH+]1 ZINC000330002114 554047397 /nfs/dbraw/zinc/04/73/97/554047397.db2.gz YOWOXECIJCKFTN-HIFRSBDPSA-N 1 2 358.446 2.167 20 30 FEEDLO O=C(Nc1ccccc1C[NH+]1CCC(O)CC1)[C@H]1CCCCS1(=O)=O ZINC000330038466 554052938 /nfs/dbraw/zinc/05/29/38/554052938.db2.gz APRVRCGEMQRNOB-QGZVFWFLSA-N 1 2 366.483 2.199 20 30 FEEDLO Cn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cn1 ZINC000330052713 554055501 /nfs/dbraw/zinc/05/55/01/554055501.db2.gz PMKKJNNYTSIZQQ-XPKDYRNWSA-N 1 2 371.445 2.097 20 30 FEEDLO C[C@@H]1[C@H](C)OCC[N@@H+]1CC(=O)NC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000330156384 554075823 /nfs/dbraw/zinc/07/58/23/554075823.db2.gz OQRUZHBGGKHODX-OLZOCXBDSA-N 1 2 363.414 2.459 20 30 FEEDLO C[C@@H]1[C@H](C)OCC[N@H+]1CC(=O)NC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000330156384 554075827 /nfs/dbraw/zinc/07/58/27/554075827.db2.gz OQRUZHBGGKHODX-OLZOCXBDSA-N 1 2 363.414 2.459 20 30 FEEDLO Cc1nc(N2CCC(NC(=O)Nc3ccccc3)CC2)nc(N(C)C)[nH+]1 ZINC000330177763 554079003 /nfs/dbraw/zinc/07/90/03/554079003.db2.gz DDTYMNCSBDSLGI-UHFFFAOYSA-N 1 2 355.446 2.050 20 30 FEEDLO Cc1nc(N(C)C)nc(N2CCC(NC(=O)Nc3ccccc3)CC2)[nH+]1 ZINC000330177763 554079005 /nfs/dbraw/zinc/07/90/05/554079005.db2.gz DDTYMNCSBDSLGI-UHFFFAOYSA-N 1 2 355.446 2.050 20 30 FEEDLO Cc1nc(CN2CCCN(C([O-])=[NH+][C@@H]3CCn4cc[nH+]c4C3)CC2)cs1 ZINC000330202415 554084534 /nfs/dbraw/zinc/08/45/34/554084534.db2.gz ZGLROFPSPHKKEJ-OAHLLOKOSA-N 1 2 374.514 2.085 20 30 FEEDLO C[C@@H]1CN(c2ccc([NH+]=C([O-])N[C@@H]3CCn4cc[nH+]c4C3)cn2)C[C@@H](C)O1 ZINC000330247889 554092982 /nfs/dbraw/zinc/09/29/82/554092982.db2.gz LXNGGFZHQSIPPE-RBSFLKMASA-N 1 2 370.457 2.233 20 30 FEEDLO C[C@@H]1CN(c2ccc(NC(=O)N[C@@H]3CCn4cc[nH+]c4C3)cn2)C[C@@H](C)O1 ZINC000330247889 554092984 /nfs/dbraw/zinc/09/29/84/554092984.db2.gz LXNGGFZHQSIPPE-RBSFLKMASA-N 1 2 370.457 2.233 20 30 FEEDLO C[C@@H]1CCN(C(=O)N[C@@H]2CCOC3(CCOCC3)C2)C[C@@H]1n1cc[nH+]c1 ZINC000330252679 554093244 /nfs/dbraw/zinc/09/32/44/554093244.db2.gz IMXPNIXTZSPPNK-ZACQAIPSSA-N 1 2 362.474 2.408 20 30 FEEDLO C[C@@H]1CCN(C([O-])=[NH+][C@@H]2CCOC3(CCOCC3)C2)C[C@@H]1n1cc[nH+]c1 ZINC000330252679 554093248 /nfs/dbraw/zinc/09/32/48/554093248.db2.gz IMXPNIXTZSPPNK-ZACQAIPSSA-N 1 2 362.474 2.408 20 30 FEEDLO Cc1ccc(N2CCC[C@H]([NH+]=C([O-])N3CCC[C@@H]3Cn3cc[nH+]c3)C2)nn1 ZINC000330260328 554094729 /nfs/dbraw/zinc/09/47/29/554094729.db2.gz SNWAKLLMBZUVNJ-DLBZAZTESA-N 1 2 369.473 2.029 20 30 FEEDLO Cc1ccc(N2CCC[C@H](NC(=O)N3CCC[C@@H]3Cn3cc[nH+]c3)C2)nn1 ZINC000330260328 554094732 /nfs/dbraw/zinc/09/47/32/554094732.db2.gz SNWAKLLMBZUVNJ-DLBZAZTESA-N 1 2 369.473 2.029 20 30 FEEDLO COc1ccc(C(=O)NCC[N@@H+]2CCOC[C@H]2C)cc1Br ZINC000330619034 554146283 /nfs/dbraw/zinc/14/62/83/554146283.db2.gz IAWZWMOPVPUXDS-LLVKDONJSA-N 1 2 357.248 2.483 20 30 FEEDLO COc1ccc(C(=O)NCC[N@H+]2CCOC[C@H]2C)cc1Br ZINC000330619034 554146285 /nfs/dbraw/zinc/14/62/85/554146285.db2.gz IAWZWMOPVPUXDS-LLVKDONJSA-N 1 2 357.248 2.483 20 30 FEEDLO CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC000331210760 554231413 /nfs/dbraw/zinc/23/14/13/554231413.db2.gz IFASSGHXMDGTOG-RVFQGNMQSA-N 1 2 373.563 2.023 20 30 FEEDLO CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)C1 ZINC000331210760 554231414 /nfs/dbraw/zinc/23/14/14/554231414.db2.gz IFASSGHXMDGTOG-RVFQGNMQSA-N 1 2 373.563 2.023 20 30 FEEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000331308857 554245100 /nfs/dbraw/zinc/24/51/00/554245100.db2.gz XLAWEGWGLYKBEM-NWDGAFQWSA-N 1 2 357.380 2.368 20 30 FEEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000331308857 554245104 /nfs/dbraw/zinc/24/51/04/554245104.db2.gz XLAWEGWGLYKBEM-NWDGAFQWSA-N 1 2 357.380 2.368 20 30 FEEDLO C=CCn1c(COCC)nnc1N1CC[NH+]([C@H](C)c2nccs2)CC1 ZINC000508873621 561776111 /nfs/dbraw/zinc/77/61/11/561776111.db2.gz OARBVQQQPRKNNA-CQSZACIVSA-N 1 2 362.503 2.340 20 30 FEEDLO C=CCn1c(-c2ccccc2OC)nnc1N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000509012607 561781347 /nfs/dbraw/zinc/78/13/47/561781347.db2.gz QHEILZBOBGJWSY-INIZCTEOSA-N 1 2 369.469 2.051 20 30 FEEDLO Cc1onc(CC(=O)N2CC[NH+]([C@H](C)c3cccc(F)c3)CC2)c1C#N ZINC000332273776 554414609 /nfs/dbraw/zinc/41/46/09/554414609.db2.gz JFBQICSAAWFKRF-CYBMUJFWSA-N 1 2 356.401 2.442 20 30 FEEDLO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)N=c1ccn(CCC#N)[nH]1 ZINC000610326158 554492611 /nfs/dbraw/zinc/49/26/11/554492611.db2.gz GFOZCUCCKRMFLE-UHFFFAOYSA-N 1 2 355.324 2.219 20 30 FEEDLO Cn1cc(C#N)c(=NC(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)[nH]1 ZINC000610560507 554528496 /nfs/dbraw/zinc/52/84/96/554528496.db2.gz DSFXJUGVYDEKED-UHFFFAOYSA-N 1 2 356.405 2.171 20 30 FEEDLO Cn1cc(C#N)c(=NC(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)[nH]1 ZINC000610560507 554528500 /nfs/dbraw/zinc/52/85/00/554528500.db2.gz DSFXJUGVYDEKED-UHFFFAOYSA-N 1 2 356.405 2.171 20 30 FEEDLO CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)[NH+]1CCC(F)(C#N)CC1 ZINC000510903068 561850024 /nfs/dbraw/zinc/85/00/24/561850024.db2.gz OKEUJRVQKKGESH-OAHLLOKOSA-N 1 2 374.460 2.362 20 30 FEEDLO COC(=O)[C@H](c1cccnc1)[N@@H+]1CCCN(c2ccc(C#N)cc2)CC1 ZINC000361939926 554939319 /nfs/dbraw/zinc/93/93/19/554939319.db2.gz OVSBDBGKBGLHJJ-IBGZPJMESA-N 1 2 350.422 2.380 20 30 FEEDLO COC(=O)[C@H](c1cccnc1)[N@H+]1CCCN(c2ccc(C#N)cc2)CC1 ZINC000361939926 554939321 /nfs/dbraw/zinc/93/93/21/554939321.db2.gz OVSBDBGKBGLHJJ-IBGZPJMESA-N 1 2 350.422 2.380 20 30 FEEDLO C=CCNC(=O)NC(=O)C[NH2+][C@H](c1nc(-c2ccccc2)no1)C(C)C ZINC000361985014 554941780 /nfs/dbraw/zinc/94/17/80/554941780.db2.gz FGDAVQRBBNYALA-HNNXBMFYSA-N 1 2 357.414 2.035 20 30 FEEDLO COc1cc(C#N)ccc1OCC(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000362176348 554954315 /nfs/dbraw/zinc/95/43/15/554954315.db2.gz FUPVFOQXUZEUSV-OAHLLOKOSA-N 1 2 354.410 2.144 20 30 FEEDLO Cc1noc(Cl)c1CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000511784443 561880530 /nfs/dbraw/zinc/88/05/30/561880530.db2.gz JQLLCKWEOKMSCA-UHFFFAOYSA-N 1 2 358.829 2.395 20 30 FEEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1C[C@@H](CC)[S@](=O)[C@@H](C)C1 ZINC000512438162 561904882 /nfs/dbraw/zinc/90/48/82/561904882.db2.gz APJMYLMBKHSUPD-YQCHORPJSA-N 1 2 351.512 2.386 20 30 FEEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1C[C@@H](CC)[S@](=O)[C@@H](C)C1 ZINC000512438162 561904883 /nfs/dbraw/zinc/90/48/83/561904883.db2.gz APJMYLMBKHSUPD-YQCHORPJSA-N 1 2 351.512 2.386 20 30 FEEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@]3(CNC(=O)O3)C2)c1C ZINC000364775130 555399659 /nfs/dbraw/zinc/39/96/59/555399659.db2.gz GXWDBZPAKUYOCH-HXUWFJFHSA-N 1 2 370.453 2.125 20 30 FEEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@]3(CNC(=O)O3)C2)c1C ZINC000364775130 555399664 /nfs/dbraw/zinc/39/96/64/555399664.db2.gz GXWDBZPAKUYOCH-HXUWFJFHSA-N 1 2 370.453 2.125 20 30 FEEDLO C(#Cc1ccccc1)Cn1nnc([C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000365053656 555474519 /nfs/dbraw/zinc/47/45/19/555474519.db2.gz OCQVVLRDOREOKI-HXUWFJFHSA-N 1 2 359.433 2.298 20 30 FEEDLO C(#Cc1ccccc1)Cn1nnc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000365053656 555474521 /nfs/dbraw/zinc/47/45/21/555474521.db2.gz OCQVVLRDOREOKI-HXUWFJFHSA-N 1 2 359.433 2.298 20 30 FEEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)[C@H]1CCCCNC1=O ZINC000365167811 555500475 /nfs/dbraw/zinc/50/04/75/555500475.db2.gz IAXYDJOZLANZCS-HOCLYGCPSA-N 1 2 374.510 2.477 20 30 FEEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)[C@H]1CCCCNC1=O ZINC000365167811 555500477 /nfs/dbraw/zinc/50/04/77/555500477.db2.gz IAXYDJOZLANZCS-HOCLYGCPSA-N 1 2 374.510 2.477 20 30 FEEDLO C=CCOc1ccccc1C[N@@H+](C)CC(=O)N1CCC[C@H](C(=O)OCC)C1 ZINC000513134213 561926684 /nfs/dbraw/zinc/92/66/84/561926684.db2.gz VAIFDJUECBXYOR-SFHVURJKSA-N 1 2 374.481 2.485 20 30 FEEDLO C=CCOc1ccccc1C[N@H+](C)CC(=O)N1CCC[C@H](C(=O)OCC)C1 ZINC000513134213 561926685 /nfs/dbraw/zinc/92/66/85/561926685.db2.gz VAIFDJUECBXYOR-SFHVURJKSA-N 1 2 374.481 2.485 20 30 FEEDLO N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000365487743 555589058 /nfs/dbraw/zinc/58/90/58/555589058.db2.gz SPVHDDRNZVMRNG-RBUKOAKNSA-N 1 2 368.481 2.333 20 30 FEEDLO COc1ccc(C[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)nn1 ZINC000513883334 561953089 /nfs/dbraw/zinc/95/30/89/561953089.db2.gz AHAAEYNOGJWUTB-UHFFFAOYSA-N 1 2 360.421 2.227 20 30 FEEDLO CS(=O)(=O)c1ccc(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000366446940 555846181 /nfs/dbraw/zinc/84/61/81/555846181.db2.gz YIZKZMNYGGVWEW-MRXNPFEDSA-N 1 2 357.435 2.010 20 30 FEEDLO CS(=O)(=O)c1ccc(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000366446940 555846184 /nfs/dbraw/zinc/84/61/84/555846184.db2.gz YIZKZMNYGGVWEW-MRXNPFEDSA-N 1 2 357.435 2.010 20 30 FEEDLO CC(C)Oc1ccc(NC(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)cc1C#N ZINC000366605802 555888810 /nfs/dbraw/zinc/88/88/10/555888810.db2.gz XISHQUSFAZDPOT-QGZVFWFLSA-N 1 2 358.442 2.330 20 30 FEEDLO CC(C)Oc1ccc(NC(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)cc1C#N ZINC000366605802 555888812 /nfs/dbraw/zinc/88/88/12/555888812.db2.gz XISHQUSFAZDPOT-QGZVFWFLSA-N 1 2 358.442 2.330 20 30 FEEDLO C[C@@H]1C[C@@]2(CCO1)C[N@@H+](CC(=O)N(C)C1(C#N)CCCCC1)C[C@H](C)O2 ZINC000366787328 555933799 /nfs/dbraw/zinc/93/37/99/555933799.db2.gz LBCKKNZEIUXEIE-UWVAXJGDSA-N 1 2 363.502 2.330 20 30 FEEDLO C[C@@H]1C[C@@]2(CCO1)C[N@H+](CC(=O)N(C)C1(C#N)CCCCC1)C[C@H](C)O2 ZINC000366787328 555933800 /nfs/dbraw/zinc/93/38/00/555933800.db2.gz LBCKKNZEIUXEIE-UWVAXJGDSA-N 1 2 363.502 2.330 20 30 FEEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1C[C@H](C)O[C@@]2(CCO[C@H](C)C2)C1 ZINC000366794434 555935690 /nfs/dbraw/zinc/93/56/90/555935690.db2.gz VPDLCDSXVIXUQO-AXVVYFOYSA-N 1 2 363.502 2.376 20 30 FEEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1C[C@H](C)O[C@@]2(CCO[C@H](C)C2)C1 ZINC000366794434 555935693 /nfs/dbraw/zinc/93/56/93/555935693.db2.gz VPDLCDSXVIXUQO-AXVVYFOYSA-N 1 2 363.502 2.376 20 30 FEEDLO Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1c[nH+]c2n1CCCC2 ZINC000514581820 561967442 /nfs/dbraw/zinc/96/74/42/561967442.db2.gz WPGILTHVPHQWGJ-UHFFFAOYSA-N 1 2 363.425 2.322 20 30 FEEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000367362728 556028445 /nfs/dbraw/zinc/02/84/45/556028445.db2.gz ZCGSLAAFETUJCF-SHYRYGCCSA-N 1 2 374.489 2.009 20 30 FEEDLO Cc1[nH+]c2n(c1CN1CCN(C(=O)C3(C#N)CCCC3)CC1)CCCC2 ZINC000367454367 556054598 /nfs/dbraw/zinc/05/45/98/556054598.db2.gz OVCTXIIMGNUKEP-UHFFFAOYSA-N 1 2 355.486 2.256 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000515039681 561993184 /nfs/dbraw/zinc/99/31/84/561993184.db2.gz KRXPGGMZBYCREG-AABGKKOBSA-N 1 2 373.497 2.401 20 30 FEEDLO N#Cc1ccc(OC2CCN(C(=O)N[C@@H]3CCc4[nH+]c[nH]c4C3)CC2)cc1 ZINC000368190508 556243205 /nfs/dbraw/zinc/24/32/05/556243205.db2.gz ODEMDVMOJLHNQT-OAHLLOKOSA-N 1 2 365.437 2.392 20 30 FEEDLO N#Cc1ccc(OC2CCN(C(=O)N[C@@H]3CCc4[nH]c[nH+]c4C3)CC2)cc1 ZINC000368190508 556243209 /nfs/dbraw/zinc/24/32/09/556243209.db2.gz ODEMDVMOJLHNQT-OAHLLOKOSA-N 1 2 365.437 2.392 20 30 FEEDLO CS(=O)(=O)C[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000368354871 556286381 /nfs/dbraw/zinc/28/63/81/556286381.db2.gz LUZKCQDWMSYTSR-LBPRGKRZSA-N 1 2 357.273 2.187 20 30 FEEDLO CS(=O)(=O)C[C@H]1CC[N@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000368354871 556286377 /nfs/dbraw/zinc/28/63/77/556286377.db2.gz LUZKCQDWMSYTSR-LBPRGKRZSA-N 1 2 357.273 2.187 20 30 FEEDLO Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c(F)c1 ZINC000515276169 562003119 /nfs/dbraw/zinc/00/31/19/562003119.db2.gz HSVGDLKSARBHAQ-OAHLLOKOSA-N 1 2 354.385 2.493 20 30 FEEDLO Cc1ccc(NC(=O)C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c(F)c1 ZINC000515276169 562003120 /nfs/dbraw/zinc/00/31/20/562003120.db2.gz HSVGDLKSARBHAQ-OAHLLOKOSA-N 1 2 354.385 2.493 20 30 FEEDLO N#Cc1c(F)ccc(C[N@@H+]2CC[C@@H](S(=O)(=O)N3CCCC3)C2)c1Cl ZINC000368997450 556471787 /nfs/dbraw/zinc/47/17/87/556471787.db2.gz DUJHLPBZJNQCNV-CYBMUJFWSA-N 1 2 371.865 2.351 20 30 FEEDLO N#Cc1c(F)ccc(C[N@H+]2CC[C@@H](S(=O)(=O)N3CCCC3)C2)c1Cl ZINC000368997450 556471788 /nfs/dbraw/zinc/47/17/88/556471788.db2.gz DUJHLPBZJNQCNV-CYBMUJFWSA-N 1 2 371.865 2.351 20 30 FEEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+](C)[C@@H]2CCCCNC2=O)c1C ZINC000369831632 556707303 /nfs/dbraw/zinc/70/73/03/556707303.db2.gz VIDYHMWXFAULHE-GOSISDBHSA-N 1 2 356.470 2.151 20 30 FEEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+](C)[C@@H]2CCCCNC2=O)c1C ZINC000369831632 556707305 /nfs/dbraw/zinc/70/73/05/556707305.db2.gz VIDYHMWXFAULHE-GOSISDBHSA-N 1 2 356.470 2.151 20 30 FEEDLO CC(C)n1nccc1NC(=O)[C@H](C)[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000370738214 556953890 /nfs/dbraw/zinc/95/38/90/556953890.db2.gz JPZFOGONFHKTLA-HOCLYGCPSA-N 1 2 368.441 2.211 20 30 FEEDLO CC(C)n1nccc1NC(=O)[C@H](C)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000370738214 556953894 /nfs/dbraw/zinc/95/38/94/556953894.db2.gz JPZFOGONFHKTLA-HOCLYGCPSA-N 1 2 368.441 2.211 20 30 FEEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)C(=O)Nc1cccc(C)c1C#N)CCC2 ZINC000370933795 557022019 /nfs/dbraw/zinc/02/20/19/557022019.db2.gz WMOBPJOTGCPRPS-AWEZNQCLSA-N 1 2 351.410 2.004 20 30 FEEDLO CSc1nc(C2CC2)cc(C(=O)N[C@@H](C)C[NH+]2CCOCC2)c1C#N ZINC000517084552 562075154 /nfs/dbraw/zinc/07/51/54/562075154.db2.gz FRFGCENXJWNWHQ-LBPRGKRZSA-N 1 2 360.483 2.003 20 30 FEEDLO Cc1cc(N(CCC#N)C(=O)C[N@H+]2CCNC(=O)C[C@@H]2C)ccc1Cl ZINC000371185983 557100819 /nfs/dbraw/zinc/10/08/19/557100819.db2.gz VKFCJLXDDNFMAG-AWEZNQCLSA-N 1 2 362.861 2.106 20 30 FEEDLO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CCNC(=O)C[C@@H]2C)ccc1Cl ZINC000371185983 557100822 /nfs/dbraw/zinc/10/08/22/557100822.db2.gz VKFCJLXDDNFMAG-AWEZNQCLSA-N 1 2 362.861 2.106 20 30 FEEDLO C[C@@H]1C[NH+]=C(N2CCN(C(=O)[C@]3(C#N)CCc4ccccc4C3)CC2)S1 ZINC000371470088 557191168 /nfs/dbraw/zinc/19/11/68/557191168.db2.gz IRWYQHQSVPXLDV-FOIQADDNSA-N 1 2 368.506 2.321 20 30 FEEDLO Cc1ccc2[nH+]cc(CN3C[C@H](C#N)[C@]4(C3)c3ccccc3NC4=O)n2c1 ZINC000371471477 557191490 /nfs/dbraw/zinc/19/14/90/557191490.db2.gz USVUXWYPQBGOTD-YCRPNKLZSA-N 1 2 357.417 2.488 20 30 FEEDLO Cc1noc(C2(C)CC[NH+](CC(=O)Nc3oc(C)c(C)c3C#N)CC2)n1 ZINC000371576308 557227423 /nfs/dbraw/zinc/22/74/23/557227423.db2.gz VSQGLORLBAJHRS-UHFFFAOYSA-N 1 2 357.414 2.452 20 30 FEEDLO C=CCC[C@H](NC(=O)N1CCC[N@@H+](CC(=O)NC)CC1)c1ccccc1 ZINC000372091762 557378349 /nfs/dbraw/zinc/37/83/49/557378349.db2.gz JPAYWKWESQUUFX-SFHVURJKSA-N 1 2 358.486 2.157 20 30 FEEDLO C=CCC[C@H](NC(=O)N1CCC[N@H+](CC(=O)NC)CC1)c1ccccc1 ZINC000372091762 557378351 /nfs/dbraw/zinc/37/83/51/557378351.db2.gz JPAYWKWESQUUFX-SFHVURJKSA-N 1 2 358.486 2.157 20 30 FEEDLO C=CCCCC[NH+]1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000519578697 562135623 /nfs/dbraw/zinc/13/56/23/562135623.db2.gz OSQBGYCSPPDQMR-UHFFFAOYSA-N 1 2 353.444 2.257 20 30 FEEDLO CC(C)n1cc(C[N@@H+]2CCCN(C(=O)c3cc(C#N)cn3C)CC2)cn1 ZINC000374199646 557842311 /nfs/dbraw/zinc/84/23/11/557842311.db2.gz JUWNVPKTTRWIES-UHFFFAOYSA-N 1 2 354.458 2.022 20 30 FEEDLO CC(C)n1cc(C[N@H+]2CCCN(C(=O)c3cc(C#N)cn3C)CC2)cn1 ZINC000374199646 557842314 /nfs/dbraw/zinc/84/23/14/557842314.db2.gz JUWNVPKTTRWIES-UHFFFAOYSA-N 1 2 354.458 2.022 20 30 FEEDLO CC(C)CCOCCNC(=O)C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000374291967 557859168 /nfs/dbraw/zinc/85/91/68/557859168.db2.gz MBIYZMHCCRGYNR-UHFFFAOYSA-N 1 2 358.486 2.118 20 30 FEEDLO C[N@@H+]1CCO[C@@H]([C@@H](NC(=O)c2ccc(C#N)nc2)c2ccc(Cl)cc2)C1 ZINC000374323906 557865842 /nfs/dbraw/zinc/86/58/42/557865842.db2.gz KRSIGUSURDRTMU-MSOLQXFVSA-N 1 2 370.840 2.408 20 30 FEEDLO C[N@H+]1CCO[C@@H]([C@@H](NC(=O)c2ccc(C#N)nc2)c2ccc(Cl)cc2)C1 ZINC000374323906 557865844 /nfs/dbraw/zinc/86/58/44/557865844.db2.gz KRSIGUSURDRTMU-MSOLQXFVSA-N 1 2 370.840 2.408 20 30 FEEDLO C=C(C)COc1cc(C[NH+]2CC(n3cc([C@@H](C)O)nn3)C2)ccc1OC ZINC000374824119 557936668 /nfs/dbraw/zinc/93/66/68/557936668.db2.gz HYYQBJUNBDEVJC-CQSZACIVSA-N 1 2 358.442 2.352 20 30 FEEDLO C=CCNC(=O)CNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000375041556 557968914 /nfs/dbraw/zinc/96/89/14/557968914.db2.gz QYPDLLNEDSVYOC-UHFFFAOYSA-N 1 2 351.410 2.026 20 30 FEEDLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NCc1ccc(OCC#N)cc1 ZINC000375231007 557995701 /nfs/dbraw/zinc/99/57/01/557995701.db2.gz VFSNBKANEFHNNJ-CRAIPNDOSA-N 1 2 350.422 2.373 20 30 FEEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375402952 558021377 /nfs/dbraw/zinc/02/13/77/558021377.db2.gz KTGMHCNVROCGFU-HIFRSBDPSA-N 1 2 368.397 2.327 20 30 FEEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375402952 558021378 /nfs/dbraw/zinc/02/13/78/558021378.db2.gz KTGMHCNVROCGFU-HIFRSBDPSA-N 1 2 368.397 2.327 20 30 FEEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000375920703 558100038 /nfs/dbraw/zinc/10/00/38/558100038.db2.gz OIPPRUQNNZSCIE-AUUYWEPGSA-N 1 2 372.494 2.089 20 30 FEEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000375920703 558100041 /nfs/dbraw/zinc/10/00/41/558100041.db2.gz OIPPRUQNNZSCIE-AUUYWEPGSA-N 1 2 372.494 2.089 20 30 FEEDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000375930832 558101324 /nfs/dbraw/zinc/10/13/24/558101324.db2.gz GWDBWIVFEDOQKA-UHFFFAOYSA-N 1 2 371.828 2.342 20 30 FEEDLO N#Cc1cccc([C@H]2CN(C(=O)C3CC[NH+](CC(F)F)CC3)CCO2)c1 ZINC000376988695 558248660 /nfs/dbraw/zinc/24/86/60/558248660.db2.gz QHXWTIPHDXQGOD-QGZVFWFLSA-N 1 2 363.408 2.435 20 30 FEEDLO N#Cc1cccc([C@H]2C[N@H+](Cc3cnc(N4CCOCC4)s3)CCO2)c1 ZINC000377252133 558298988 /nfs/dbraw/zinc/29/89/88/558298988.db2.gz RGJMWJGBRGXVMU-GOSISDBHSA-N 1 2 370.478 2.425 20 30 FEEDLO N#Cc1cccc([C@H]2C[N@@H+](Cc3cnc(N4CCOCC4)s3)CCO2)c1 ZINC000377252133 558298989 /nfs/dbraw/zinc/29/89/89/558298989.db2.gz RGJMWJGBRGXVMU-GOSISDBHSA-N 1 2 370.478 2.425 20 30 FEEDLO C=CC[C@H](C)NC(=O)N1CC[NH+]([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000377388188 558331246 /nfs/dbraw/zinc/33/12/46/558331246.db2.gz JTCMLSVEICPAIU-HOTGVXAUSA-N 1 2 366.506 2.288 20 30 FEEDLO Cn1cc(-c2ncc(C[NH+]3CCN(c4ccccc4C#N)CC3)cn2)cn1 ZINC000377428695 558338609 /nfs/dbraw/zinc/33/86/09/558338609.db2.gz LVCVZMKHNCWLJP-UHFFFAOYSA-N 1 2 359.437 2.071 20 30 FEEDLO N#C[C@@H]1C[N@@H+](C[C@H](O)c2ccccc2F)C[C@]12C(=O)Nc1ccccc12 ZINC000378259289 558513727 /nfs/dbraw/zinc/51/37/27/558513727.db2.gz LKBAQGMLTFOVQL-MJWYBRSISA-N 1 2 351.381 2.205 20 30 FEEDLO N#C[C@@H]1C[N@H+](C[C@H](O)c2ccccc2F)C[C@]12C(=O)Nc1ccccc12 ZINC000378259289 558513729 /nfs/dbraw/zinc/51/37/29/558513729.db2.gz LKBAQGMLTFOVQL-MJWYBRSISA-N 1 2 351.381 2.205 20 30 FEEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000378296933 558522761 /nfs/dbraw/zinc/52/27/61/558522761.db2.gz ZZRBBSDNRVGLCX-GCKMJXCFSA-N 1 2 366.465 2.145 20 30 FEEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000378296933 558522762 /nfs/dbraw/zinc/52/27/62/558522762.db2.gz ZZRBBSDNRVGLCX-GCKMJXCFSA-N 1 2 366.465 2.145 20 30 FEEDLO CN1CC[NH+]([C@H](CNC(=O)Cc2ccc(C#N)cc2)c2cccs2)CC1 ZINC000523362138 562211976 /nfs/dbraw/zinc/21/19/76/562211976.db2.gz VWMRKRMBBUGWDL-GOSISDBHSA-N 1 2 368.506 2.267 20 30 FEEDLO C[C@@H]1[C@H](C)N(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)CC[N@H+]1C ZINC000407957162 558633231 /nfs/dbraw/zinc/63/32/31/558633231.db2.gz YALXDUHMGDRPHH-MNOVXSKESA-N 1 2 361.389 2.290 20 30 FEEDLO C[C@@H]1[C@H](C)N(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)CC[N@@H+]1C ZINC000407957162 558633235 /nfs/dbraw/zinc/63/32/35/558633235.db2.gz YALXDUHMGDRPHH-MNOVXSKESA-N 1 2 361.389 2.290 20 30 FEEDLO C=CCN1CC[C@@H]([NH+]2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)C1=O ZINC000410298983 558750243 /nfs/dbraw/zinc/75/02/43/558750243.db2.gz IBJFXRPSBXRXAJ-RQJZOYDLSA-N 1 2 371.525 2.134 20 30 FEEDLO C=CCCCCCN(C)C(=O)C(=O)N1CCN(c2c[nH+]ccc2C)CC1 ZINC000410637820 558792805 /nfs/dbraw/zinc/79/28/05/558792805.db2.gz CNMXFAWRZAPHEU-UHFFFAOYSA-N 1 2 358.486 2.243 20 30 FEEDLO COC(=O)c1cc(C[N@@H+]2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)cs1 ZINC000411398192 558887721 /nfs/dbraw/zinc/88/77/21/558887721.db2.gz BBICOFLPTDEZFV-YJYMSZOUSA-N 1 2 367.430 2.380 20 30 FEEDLO COC(=O)c1cc(C[N@H+]2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)cs1 ZINC000411398192 558887722 /nfs/dbraw/zinc/88/77/22/558887722.db2.gz BBICOFLPTDEZFV-YJYMSZOUSA-N 1 2 367.430 2.380 20 30 FEEDLO C=CCSc1ccccc1C(=O)N1CC[NH+](C(COC)COC)CC1 ZINC000412435660 559035410 /nfs/dbraw/zinc/03/54/10/559035410.db2.gz MQTFSYWYHYHHLM-UHFFFAOYSA-N 1 2 364.511 2.384 20 30 FEEDLO C[C@H](O)CNc1cc(N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)nc[nH+]1 ZINC000413136504 559081850 /nfs/dbraw/zinc/08/18/50/559081850.db2.gz FNPQHUNKNVNQDH-ZFWWWQNUSA-N 1 2 370.432 2.361 20 30 FEEDLO C[C@H](O)CNc1cc(N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)[nH+]cn1 ZINC000413136504 559081851 /nfs/dbraw/zinc/08/18/51/559081851.db2.gz FNPQHUNKNVNQDH-ZFWWWQNUSA-N 1 2 370.432 2.361 20 30 FEEDLO C[C@H](O)[C@@H]1CCN(c2cc(NCCOc3ccc(C#N)cc3)[nH+]cn2)C1 ZINC000413174748 559085502 /nfs/dbraw/zinc/08/55/02/559085502.db2.gz QEXQFXAXLBDJPV-GOEBONIOSA-N 1 2 353.426 2.046 20 30 FEEDLO C[C@H](O)[C@@H]1CCN(c2cc(NCCOc3ccc(C#N)cc3)nc[nH+]2)C1 ZINC000413174748 559085504 /nfs/dbraw/zinc/08/55/04/559085504.db2.gz QEXQFXAXLBDJPV-GOEBONIOSA-N 1 2 353.426 2.046 20 30 FEEDLO COc1cc(CNc2cc(N3CC[C@@H]([C@H](C)O)C3)nc[nH+]2)ccc1C#N ZINC000413318253 559098413 /nfs/dbraw/zinc/09/84/13/559098413.db2.gz ZVOAOSZFPQVMEL-XJKSGUPXSA-N 1 2 353.426 2.176 20 30 FEEDLO COc1cc(CNc2cc(N3CC[C@@H]([C@H](C)O)C3)[nH+]cn2)ccc1C#N ZINC000413318253 559098415 /nfs/dbraw/zinc/09/84/15/559098415.db2.gz ZVOAOSZFPQVMEL-XJKSGUPXSA-N 1 2 353.426 2.176 20 30 FEEDLO C[C@@H]1C[C@H](CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)[C@@H](C)O1 ZINC000413781965 559129965 /nfs/dbraw/zinc/12/99/65/559129965.db2.gz XPSXWQVNCGLAIL-GPMSIDNRSA-N 1 2 356.470 2.199 20 30 FEEDLO CN(CCC#N)C[C@@H](O)C[NH+]1CC(OCc2cccc3ccccc32)C1 ZINC000414154725 559150987 /nfs/dbraw/zinc/15/09/87/559150987.db2.gz UCIFPQYVELLWHK-LJQANCHMSA-N 1 2 353.466 2.247 20 30 FEEDLO C[N@H+](CCC#N)C[C@@H](O)CN1CC(OCc2cccc3ccccc32)C1 ZINC000414154725 559150988 /nfs/dbraw/zinc/15/09/88/559150988.db2.gz UCIFPQYVELLWHK-LJQANCHMSA-N 1 2 353.466 2.247 20 30 FEEDLO C[N@@H+](CCC#N)C[C@@H](O)CN1CC(OCc2cccc3ccccc32)C1 ZINC000414154725 559150989 /nfs/dbraw/zinc/15/09/89/559150989.db2.gz UCIFPQYVELLWHK-LJQANCHMSA-N 1 2 353.466 2.247 20 30 FEEDLO C[NH+]1CCN([C@@H](CNC(=O)c2ccc(C#N)c(O)c2)c2cccs2)CC1 ZINC000527196058 562279696 /nfs/dbraw/zinc/27/96/96/562279696.db2.gz DGJIRAXORZMHDV-INIZCTEOSA-N 1 2 370.478 2.044 20 30 FEEDLO C[C@@H](NC(=O)c1ccc(C#N)c(O)c1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000527196047 562279782 /nfs/dbraw/zinc/27/97/82/562279782.db2.gz AOJUHVUINKMLBU-FOIQADDNSA-N 1 2 365.433 2.283 20 30 FEEDLO C[C@@H](NC(=O)c1ccc(C#N)c(O)c1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000527196047 562279783 /nfs/dbraw/zinc/27/97/83/562279783.db2.gz AOJUHVUINKMLBU-FOIQADDNSA-N 1 2 365.433 2.283 20 30 FEEDLO C[C@@H](C#N)S(=O)(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000416372032 559308150 /nfs/dbraw/zinc/30/81/50/559308150.db2.gz NKWRNDURAPIABK-SMDDNHRTSA-N 1 2 359.854 2.447 20 30 FEEDLO C[C@H](C#N)S(=O)(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000416372024 559308155 /nfs/dbraw/zinc/30/81/55/559308155.db2.gz NKWRNDURAPIABK-BXUZGUMPSA-N 1 2 359.854 2.447 20 30 FEEDLO CC(C)(C[NH+]1CCOCC1)NC(=O)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000419606987 559449737 /nfs/dbraw/zinc/44/97/37/559449737.db2.gz GQSBCLNDYRNNRI-SFHVURJKSA-N 1 2 356.470 2.346 20 30 FEEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1Cc2ccc(OC)cc2OC(C)(C)C1 ZINC000421033581 559520896 /nfs/dbraw/zinc/52/08/96/559520896.db2.gz FVUMEUMGBOTHEN-ZDUSSCGKSA-N 1 2 361.442 2.069 20 30 FEEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1Cc2ccc(OC)cc2OC(C)(C)C1 ZINC000421033581 559520897 /nfs/dbraw/zinc/52/08/97/559520897.db2.gz FVUMEUMGBOTHEN-ZDUSSCGKSA-N 1 2 361.442 2.069 20 30 FEEDLO N#CCNC(=O)C[N@H+]1CCCC[C@@H]1Cc1cccc(Br)c1 ZINC000421043218 559521545 /nfs/dbraw/zinc/52/15/45/559521545.db2.gz QDXRRNLWBGCPEK-OAHLLOKOSA-N 1 2 350.260 2.486 20 30 FEEDLO N#CCNC(=O)C[N@@H+]1CCCC[C@@H]1Cc1cccc(Br)c1 ZINC000421043218 559521546 /nfs/dbraw/zinc/52/15/46/559521546.db2.gz QDXRRNLWBGCPEK-OAHLLOKOSA-N 1 2 350.260 2.486 20 30 FEEDLO C=CCn1cc(C[NH2+]Cc2cnc3c(C)cc(Br)cn23)nn1 ZINC000424166348 559656506 /nfs/dbraw/zinc/65/65/06/559656506.db2.gz APANCRNHOUNLHZ-UHFFFAOYSA-N 1 2 361.247 2.473 20 30 FEEDLO C=CCn1cc(CNCc2c[nH+]c3c(C)cc(Br)cn23)nn1 ZINC000424166348 559656507 /nfs/dbraw/zinc/65/65/07/559656507.db2.gz APANCRNHOUNLHZ-UHFFFAOYSA-N 1 2 361.247 2.473 20 30 FEEDLO C=CCCn1cc(C(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)nn1 ZINC000424651354 559672337 /nfs/dbraw/zinc/67/23/37/559672337.db2.gz VHBZQARSYSYLSM-OAHLLOKOSA-N 1 2 355.442 2.500 20 30 FEEDLO C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000425378620 559698581 /nfs/dbraw/zinc/69/85/81/559698581.db2.gz BOZBIYRHBCMKIU-OAHLLOKOSA-N 1 2 365.437 2.138 20 30 FEEDLO COC(=O)c1cnc([C@@H](C)[NH2+][C@@H](C)C(=O)NC2(C#N)CCCCC2)s1 ZINC000425479672 559704592 /nfs/dbraw/zinc/70/45/92/559704592.db2.gz DNKSIQRHUZBAAS-NWDGAFQWSA-N 1 2 364.471 2.311 20 30 FEEDLO C=CCn1cc(CNC(=O)N2CC[NH+](Cc3ccc(CC)s3)CC2)nn1 ZINC000425568765 559710113 /nfs/dbraw/zinc/71/01/13/559710113.db2.gz XETUNZUXUUXVAD-UHFFFAOYSA-N 1 2 374.514 2.115 20 30 FEEDLO COC(=O)c1conc1C(C)(C)[NH2+]CCC(=O)Nc1cccc(C#N)c1 ZINC000425593581 559711094 /nfs/dbraw/zinc/71/10/94/559711094.db2.gz WVIYXBDVUOIDPN-UHFFFAOYSA-N 1 2 356.382 2.186 20 30 FEEDLO C=C[C@@H]1CCCCN1C(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000428043961 559768355 /nfs/dbraw/zinc/76/83/55/559768355.db2.gz QUPLMCQFPCQVQO-QGZVFWFLSA-N 1 2 356.470 2.078 20 30 FEEDLO N#Cc1ccc([C@@H]([NH2+][C@@H](CO)c2ccc(Br)cc2)C(N)=O)cc1 ZINC000428811949 559783862 /nfs/dbraw/zinc/78/38/62/559783862.db2.gz XEIGPWNITARZMO-JKSUJKDBSA-N 1 2 374.238 2.170 20 30 FEEDLO N#Cc1ccc([C@H]([NH2+][C@@H](CO)c2ccc(Br)cc2)C(N)=O)cc1 ZINC000428811947 559783958 /nfs/dbraw/zinc/78/39/58/559783958.db2.gz XEIGPWNITARZMO-HOTGVXAUSA-N 1 2 374.238 2.170 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@]2(CCO[C@H](C)C2)C1 ZINC000430275647 559816833 /nfs/dbraw/zinc/81/68/33/559816833.db2.gz BEWKOVKWBFAFDF-LLLOQXOTSA-N 1 2 351.491 2.088 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1C[C@@H](C)O[C@@]2(CCO[C@H](C)C2)C1 ZINC000430275647 559816834 /nfs/dbraw/zinc/81/68/34/559816834.db2.gz BEWKOVKWBFAFDF-LLLOQXOTSA-N 1 2 351.491 2.088 20 30 FEEDLO C=CCC(C)(C)CNC(=O)NCC1([NH+]2CCOCC2)CC(OCC)C1 ZINC000432362953 559857303 /nfs/dbraw/zinc/85/73/03/559857303.db2.gz QSEFXDUSFPVMTE-UHFFFAOYSA-N 1 2 353.507 2.158 20 30 FEEDLO C=CCC(C)(C)CNC(=O)N1CC[NH+](CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000432578449 559861177 /nfs/dbraw/zinc/86/11/77/559861177.db2.gz ZWFPKVQFEMMREO-KRWDZBQOSA-N 1 2 364.534 2.317 20 30 FEEDLO CC(C)(C)OC(=O)C[NH2+][C@@]1(C)CCN(C(=O)Cc2ccc(C#N)cc2)C1 ZINC000442812594 560058173 /nfs/dbraw/zinc/05/81/73/560058173.db2.gz AMVXDRXPXUXRIK-FQEVSTJZSA-N 1 2 357.454 2.023 20 30 FEEDLO Cc1cc(C#N)ccc1C(=O)N1CC[C@@](C)([NH2+]CC(=O)OC(C)(C)C)C1 ZINC000442820171 560058309 /nfs/dbraw/zinc/05/83/09/560058309.db2.gz ASKSZKUFYYOXKC-HXUWFJFHSA-N 1 2 357.454 2.403 20 30 FEEDLO C=C(C)[C@H](CC(=O)N1CC[C@@](C)([NH2+]CC(=O)OC(C)(C)C)C1)OCC ZINC000442842584 560059492 /nfs/dbraw/zinc/05/94/92/560059492.db2.gz BWXXTTPXUVMPAY-HNAYVOBHSA-N 1 2 354.491 2.280 20 30 FEEDLO Cc1cc(S(=O)(=O)NCC[N@@H+]2CCc3sccc3C2)ccc1C#N ZINC000443942398 560096945 /nfs/dbraw/zinc/09/69/45/560096945.db2.gz BTRKUHFLTHPGFS-UHFFFAOYSA-N 1 2 361.492 2.265 20 30 FEEDLO Cc1cc(S(=O)(=O)NCC[N@H+]2CCc3sccc3C2)ccc1C#N ZINC000443942398 560096946 /nfs/dbraw/zinc/09/69/46/560096946.db2.gz BTRKUHFLTHPGFS-UHFFFAOYSA-N 1 2 361.492 2.265 20 30 FEEDLO COC(=O)[C@@H]1C[C@H](C)CC[N@@H+]1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000447876656 560171982 /nfs/dbraw/zinc/17/19/82/560171982.db2.gz ATOXUHNXLIAMDC-JLSDUUJJSA-N 1 2 355.438 2.327 20 30 FEEDLO COC(=O)[C@@H]1C[C@H](C)CC[N@H+]1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000447876656 560171983 /nfs/dbraw/zinc/17/19/83/560171983.db2.gz ATOXUHNXLIAMDC-JLSDUUJJSA-N 1 2 355.438 2.327 20 30 FEEDLO Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)c2ccc(C#N)n2C)cc1 ZINC000448599971 560192152 /nfs/dbraw/zinc/19/21/52/560192152.db2.gz BEQDIDWOIHDSNP-SFHVURJKSA-N 1 2 352.438 2.009 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1 ZINC000448627401 560192772 /nfs/dbraw/zinc/19/27/72/560192772.db2.gz IZMVCLRQYMPIQX-FGTMMUONSA-N 1 2 371.437 2.234 20 30 FEEDLO C[C@H](Oc1ccccn1)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000449040904 560213884 /nfs/dbraw/zinc/21/38/84/560213884.db2.gz KAVPLCVBQHNECU-INIZCTEOSA-N 1 2 350.422 2.065 20 30 FEEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)COc1cccc(Br)c1C#N ZINC000449650941 560235603 /nfs/dbraw/zinc/23/56/03/560235603.db2.gz MKXBUZHVLUNSBY-LLVKDONJSA-N 1 2 363.215 2.101 20 30 FEEDLO Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNc1ncc(C#N)cc1[N+](=O)[O-] ZINC000450463740 560263063 /nfs/dbraw/zinc/26/30/63/560263063.db2.gz RQUPENGFINUDDA-KBPBESRZSA-N 1 2 374.376 2.491 20 30 FEEDLO Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNc1ncc(C#N)cc1[N+](=O)[O-] ZINC000450463740 560263064 /nfs/dbraw/zinc/26/30/64/560263064.db2.gz RQUPENGFINUDDA-KBPBESRZSA-N 1 2 374.376 2.491 20 30 FEEDLO CCS(=O)(=O)c1ccc(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000451055731 560284968 /nfs/dbraw/zinc/28/49/68/560284968.db2.gz MLWGYCVVZITNBE-KRWDZBQOSA-N 1 2 371.462 2.400 20 30 FEEDLO CCS(=O)(=O)c1ccc(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000451055731 560284969 /nfs/dbraw/zinc/28/49/69/560284969.db2.gz MLWGYCVVZITNBE-KRWDZBQOSA-N 1 2 371.462 2.400 20 30 FEEDLO N#CCc1ccc(S(=O)(=O)NC[C@H]2CCCn3cc[nH+]c32)c(Cl)c1 ZINC000451344357 560301668 /nfs/dbraw/zinc/30/16/68/560301668.db2.gz QQFAHTGROXDCHL-CYBMUJFWSA-N 1 2 364.858 2.458 20 30 FEEDLO CCn1cc[nH+]c1CNC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 ZINC000452570597 560367941 /nfs/dbraw/zinc/36/79/41/560367941.db2.gz LDPSZOUCYIRBTJ-CYBMUJFWSA-N 1 2 371.828 2.097 20 30 FEEDLO C=CCC1(CNC(=O)N[C@@H]2CCCN(Cc3[nH+]ccn3C)C2=O)CCCC1 ZINC000454825482 560459674 /nfs/dbraw/zinc/45/96/74/560459674.db2.gz UYURNUXSGNFBPQ-MRXNPFEDSA-N 1 2 373.501 2.347 20 30 FEEDLO COC1(CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCCC1 ZINC000455092315 560469827 /nfs/dbraw/zinc/46/98/27/560469827.db2.gz CJBZLSKFPUVTFC-UHFFFAOYSA-N 1 2 356.470 2.345 20 30 FEEDLO Cc1cc(C(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)ncc1C#N ZINC000457393069 560564931 /nfs/dbraw/zinc/56/49/31/560564931.db2.gz RBYIVSGMNPXBDL-LJQANCHMSA-N 1 2 350.422 2.065 20 30 FEEDLO N#Cc1ccc(N2CC[NH+](Cc3cc(=O)[nH]c(C4CC4)n3)CC2)c(F)c1 ZINC000459319292 560679588 /nfs/dbraw/zinc/67/95/88/560679588.db2.gz DCTMVZPACQIZSO-UHFFFAOYSA-N 1 2 353.401 2.393 20 30 FEEDLO CSc1ccccc1NC(=O)CN(C)C(=O)C[NH2+][C@@H]1CCC[C@H]1C#N ZINC000459444777 560686720 /nfs/dbraw/zinc/68/67/20/560686720.db2.gz ARTQCPGHZLFFRH-UONOGXRCSA-N 1 2 360.483 2.087 20 30 FEEDLO C=C(C)CN(C)C(=O)C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000459908191 560718498 /nfs/dbraw/zinc/71/84/98/560718498.db2.gz YTYNSQPYEKRDRJ-UHFFFAOYSA-N 1 2 363.889 2.409 20 30 FEEDLO C=C(C)CN(C)C(=O)C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000459908191 560718499 /nfs/dbraw/zinc/71/84/99/560718499.db2.gz YTYNSQPYEKRDRJ-UHFFFAOYSA-N 1 2 363.889 2.409 20 30 FEEDLO COc1cc(CNC(=O)c2cccc(C[NH+]3CCOCC3)c2)ccc1C#N ZINC000460607516 560746988 /nfs/dbraw/zinc/74/69/88/560746988.db2.gz NNYQMXZYRIRQCT-UHFFFAOYSA-N 1 2 365.433 2.329 20 30 FEEDLO Cn1c2ccc(NC(=O)C(=O)N[C@@H]3CCC[C@@H]3C#N)cc2[nH+]c1C1CC1 ZINC000461780515 560783079 /nfs/dbraw/zinc/78/30/79/560783079.db2.gz ONGPJDWMWLVHIT-TZMCWYRMSA-N 1 2 351.410 2.198 20 30 FEEDLO Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)N[C@H]2CCC[C@@H]2C#N)cc1 ZINC000461947360 560789322 /nfs/dbraw/zinc/78/93/22/560789322.db2.gz PKSTZQSSCWRFQY-QYZOEREBSA-N 1 2 356.470 2.360 20 30 FEEDLO N#Cc1cc(NCCCCN2CC[NH+](CCO)CC2)ccc1C(F)(F)F ZINC000463657479 560820577 /nfs/dbraw/zinc/82/05/77/560820577.db2.gz VKCJJORVIZWFNN-UHFFFAOYSA-N 1 2 370.419 2.379 20 30 FEEDLO CCOC(=O)c1sc([C@H](C)[NH2+][C@@H](C)C(=O)NC2(C#N)CCC2)nc1C ZINC000468773818 560938500 /nfs/dbraw/zinc/93/85/00/560938500.db2.gz AUZBCMUNIQXZFO-RYUDHWBXSA-N 1 2 364.471 2.230 20 30 FEEDLO CCOc1ccccc1N1CC[NH+]([C@@H](C)C(=O)NC2(C#N)CCC2)CC1 ZINC000468934009 560942725 /nfs/dbraw/zinc/94/27/25/560942725.db2.gz KXELVHMMQCPVRU-INIZCTEOSA-N 1 2 356.470 2.158 20 30 FEEDLO C=CCc1ccc(OCC(=O)NCC[N@@H+]2CCO[C@H](CC)C2)c(OC)c1 ZINC000470428093 560981342 /nfs/dbraw/zinc/98/13/42/560981342.db2.gz IMOUGCAWLYAKKI-QGZVFWFLSA-N 1 2 362.470 2.030 20 30 FEEDLO C=CCc1ccc(OCC(=O)NCC[N@H+]2CCO[C@H](CC)C2)c(OC)c1 ZINC000470428093 560981343 /nfs/dbraw/zinc/98/13/43/560981343.db2.gz IMOUGCAWLYAKKI-QGZVFWFLSA-N 1 2 362.470 2.030 20 30 FEEDLO CC(C)NC(=O)C[N@H+](C)CC(=O)NC1(C#N)CCC(C(C)(C)C)CC1 ZINC000470591978 560985405 /nfs/dbraw/zinc/98/54/05/560985405.db2.gz WCUHKAUMTUJKEW-UHFFFAOYSA-N 1 2 350.507 2.058 20 30 FEEDLO CC(C)NC(=O)C[N@@H+](C)CC(=O)NC1(C#N)CCC(C(C)(C)C)CC1 ZINC000470591978 560985406 /nfs/dbraw/zinc/98/54/06/560985406.db2.gz WCUHKAUMTUJKEW-UHFFFAOYSA-N 1 2 350.507 2.058 20 30 FEEDLO Cn1nccc1C[N@H+](C)CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000471082402 560998012 /nfs/dbraw/zinc/99/80/12/560998012.db2.gz HQJVWGNWPSPKSN-UHFFFAOYSA-N 1 2 364.371 2.039 20 30 FEEDLO Cn1nccc1C[N@@H+](C)CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000471082402 560998013 /nfs/dbraw/zinc/99/80/13/560998013.db2.gz HQJVWGNWPSPKSN-UHFFFAOYSA-N 1 2 364.371 2.039 20 30 FEEDLO CCOc1ccc(C[NH+]2CCN(c3c(C#N)c(C)nn3C)CC2)cc1OC ZINC000471807723 561012214 /nfs/dbraw/zinc/01/22/14/561012214.db2.gz CQNXCMUKSUEJTP-UHFFFAOYSA-N 1 2 369.469 2.330 20 30 FEEDLO CCCCN(CCCC)C(=O)C[NH+]1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC000472159921 561019760 /nfs/dbraw/zinc/01/97/60/561019760.db2.gz SVIZLINPILGRPM-UHFFFAOYSA-N 1 2 374.533 2.151 20 30 FEEDLO CCN1CCN(C(=O)NCc2cc(C#N)ccc2F)C[C@@H]1c1[nH]cc[nH+]1 ZINC000474581668 561077478 /nfs/dbraw/zinc/07/74/78/561077478.db2.gz LZGLFWANIOIGCW-MRXNPFEDSA-N 1 2 356.405 2.009 20 30 FEEDLO Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000531196777 562437925 /nfs/dbraw/zinc/43/79/25/562437925.db2.gz FHPDLBPCEWVEOA-UHFFFAOYSA-N 1 2 354.458 2.476 20 30 FEEDLO Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000531196777 562437926 /nfs/dbraw/zinc/43/79/26/562437926.db2.gz FHPDLBPCEWVEOA-UHFFFAOYSA-N 1 2 354.458 2.476 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000532727463 562486998 /nfs/dbraw/zinc/48/69/98/562486998.db2.gz YBQMURKZTPVFKT-YFVAEKQCSA-N 1 2 367.497 2.312 20 30 FEEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+](C)C[C@H]1CCS(=O)(=O)C1 ZINC000532970547 562494238 /nfs/dbraw/zinc/49/42/38/562494238.db2.gz PUOXDVDPSMNYRQ-LSDHHAIUSA-N 1 2 370.540 2.018 20 30 FEEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+](C)C[C@H]1CCS(=O)(=O)C1 ZINC000532970547 562494239 /nfs/dbraw/zinc/49/42/39/562494239.db2.gz PUOXDVDPSMNYRQ-LSDHHAIUSA-N 1 2 370.540 2.018 20 30 FEEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@H](C)c1nnc(C)o1 ZINC000541691770 562617770 /nfs/dbraw/zinc/61/77/70/562617770.db2.gz SMSCKDSCUXULAW-OLZOCXBDSA-N 1 2 357.414 2.373 20 30 FEEDLO C=C(C)C[C@H](NC(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21)C(=O)OC ZINC000601780380 567839502 /nfs/dbraw/zinc/83/95/02/567839502.db2.gz BUAGRYSEBGTJAJ-AWEZNQCLSA-N 1 2 351.353 2.247 20 30 FEEDLO CC(C)OCc1ccc(CNC(=O)C[NH+]2C[C@@H](C)N(CC#N)[C@H](C)C2)cc1 ZINC000602860496 568049426 /nfs/dbraw/zinc/04/94/26/568049426.db2.gz IVVCRSBJZMDKEN-QZTJIDSGSA-N 1 2 372.513 2.146 20 30 FEEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000603088788 568059446 /nfs/dbraw/zinc/05/94/46/568059446.db2.gz HKVXYHXZKMGYNS-TXEJJXNPSA-N 1 2 361.396 2.068 20 30 FEEDLO COc1ccc(NC(=O)[C@H](C)[NH+]2CCN(c3cnccc3C#N)CC2)cc1 ZINC000569066240 568295594 /nfs/dbraw/zinc/29/55/94/568295594.db2.gz MLONMKJNOIZATQ-HNNXBMFYSA-N 1 2 365.437 2.111 20 30 FEEDLO CC(C)[C@@H](C#N)N1CC[NH+]([C@@H](C)C(=O)NC[C@@H](C)c2ccccc2)CC1 ZINC000609485781 568346162 /nfs/dbraw/zinc/34/61/62/568346162.db2.gz XJRAYBYXYISDRH-WSTZPKSXSA-N 1 2 356.514 2.461 20 30 FEEDLO CC(=O)NCC[N@H+](CC(=O)Nc1ccc(C#N)cc1)Cc1ccsc1 ZINC000570058878 568441119 /nfs/dbraw/zinc/44/11/19/568441119.db2.gz KTDZAWDPALZKDO-UHFFFAOYSA-N 1 2 356.451 2.197 20 30 FEEDLO CC(=O)NCC[N@@H+](CC(=O)Nc1ccc(C#N)cc1)Cc1ccsc1 ZINC000570058878 568441121 /nfs/dbraw/zinc/44/11/21/568441121.db2.gz KTDZAWDPALZKDO-UHFFFAOYSA-N 1 2 356.451 2.197 20 30 FEEDLO C=CCCC(C)(C)CNC(=O)C(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000637194486 568573985 /nfs/dbraw/zinc/57/39/85/568573985.db2.gz JGFWJPSKLAGQKW-UHFFFAOYSA-N 1 2 358.486 2.407 20 30 FEEDLO COc1c(C)c[nH+]c(CSc2nc(N)c(C#N)cc2-c2nn[nH]n2)c1C ZINC000737027047 599367764 /nfs/dbraw/zinc/36/77/64/599367764.db2.gz YJGNRIAGNPGKNW-UHFFFAOYSA-N 1 2 368.426 2.028 20 30 FEEDLO N#Cc1cccc([C@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)C(=O)[O-])c1 ZINC000833076151 601298782 /nfs/dbraw/zinc/29/87/82/601298782.db2.gz QTHGYQKXASDGPZ-FQEVSTJZSA-N 1 2 365.433 2.306 20 30 FEEDLO N#Cc1cccc([C@@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)C(=O)[O-])c1 ZINC000833074723 601298936 /nfs/dbraw/zinc/29/89/36/601298936.db2.gz DVBZZPOJPSPUTI-HXUWFJFHSA-N 1 2 365.433 2.306 20 30 FEEDLO Cc1nsc(N2CC[NH+](CCOc3cccc(C#N)c3)CC2)c1C#N ZINC000558471395 674498037 /nfs/dbraw/zinc/49/80/37/674498037.db2.gz RMHMBFQJCPSFOX-UHFFFAOYSA-N 1 2 353.451 2.396 20 30 FEEDLO C#Cc1ccc(C[N@H+]2CCc3c(cccc3S(=O)(=O)N(C)C)C2)cc1 ZINC000809664176 674504066 /nfs/dbraw/zinc/50/40/66/674504066.db2.gz BRHMEKJFQXLGJX-UHFFFAOYSA-N 1 2 354.475 2.477 20 30 FEEDLO C#Cc1ccc(C[N@@H+]2CCc3c(cccc3S(=O)(=O)N(C)C)C2)cc1 ZINC000809664176 674504067 /nfs/dbraw/zinc/50/40/67/674504067.db2.gz BRHMEKJFQXLGJX-UHFFFAOYSA-N 1 2 354.475 2.477 20 30 FEEDLO CN(C)S(=O)(=O)c1cccc(CO[NH+]=C(N)c2ccc(Cl)cc2)c1 ZINC000029465499 670100573 /nfs/dbraw/zinc/10/05/73/670100573.db2.gz BJXKRCJJIKDMRA-UHFFFAOYSA-N 1 2 367.858 2.427 20 30 FEEDLO N#CCC1(CS(=O)(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)CC1 ZINC000569071011 670506158 /nfs/dbraw/zinc/50/61/58/670506158.db2.gz ULKJCWZVGRMTRQ-UHFFFAOYSA-N 1 2 362.499 2.422 20 30 FEEDLO NC(Cc1cccnc1)=[NH+]OCC(=O)Nc1ccccc1OC(F)F ZINC000092915641 670746305 /nfs/dbraw/zinc/74/63/05/670746305.db2.gz LPARWDZHCSHZRG-UHFFFAOYSA-N 1 2 350.325 2.153 20 30 FEEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CC3(CCOCC3)[C@H]2C2CC2)c1 ZINC000580518621 671814590 /nfs/dbraw/zinc/81/45/90/671814590.db2.gz OGOVUFJEOMRNDG-GOSISDBHSA-N 1 2 360.479 2.223 20 30 FEEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CC3(CCOCC3)[C@H]2C2CC2)c1 ZINC000580518621 671814594 /nfs/dbraw/zinc/81/45/94/671814594.db2.gz OGOVUFJEOMRNDG-GOSISDBHSA-N 1 2 360.479 2.223 20 30 FEEDLO N#Cc1cccc(CS(=O)(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000170990279 672328210 /nfs/dbraw/zinc/32/82/10/672328210.db2.gz UEZZRESBKYRDDY-UHFFFAOYSA-N 1 2 352.419 2.364 20 30 FEEDLO C#CC[NH+]1CCN(Cn2nc(Cc3ccccc3OC)oc2=S)CC1 ZINC000171038620 672328871 /nfs/dbraw/zinc/32/88/71/672328871.db2.gz RPCQXYIMMBPLTJ-UHFFFAOYSA-N 1 2 358.467 2.013 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)NC[C@H]2CC[N@@H+]2Cc2ccccc2)cc1F ZINC000595392637 673240867 /nfs/dbraw/zinc/24/08/67/673240867.db2.gz KFOQMUPGRZWWRU-MRXNPFEDSA-N 1 2 359.426 2.250 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)NC[C@H]2CC[N@H+]2Cc2ccccc2)cc1F ZINC000595392637 673240868 /nfs/dbraw/zinc/24/08/68/673240868.db2.gz KFOQMUPGRZWWRU-MRXNPFEDSA-N 1 2 359.426 2.250 20 30 FEEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC[C@@H](CN2CCCC2=O)C1 ZINC000595833921 673328895 /nfs/dbraw/zinc/32/88/95/673328895.db2.gz VYSYSUQWLNDRNW-CYBMUJFWSA-N 1 2 360.845 2.094 20 30 FEEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CC[C@@H](CN2CCCC2=O)C1 ZINC000595833921 673328896 /nfs/dbraw/zinc/32/88/96/673328896.db2.gz VYSYSUQWLNDRNW-CYBMUJFWSA-N 1 2 360.845 2.094 20 30 FEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000746586724 673884638 /nfs/dbraw/zinc/88/46/38/673884638.db2.gz JTZOCKNPAQZILI-AWEZNQCLSA-N 1 2 353.344 2.015 20 30 FEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000746586724 673884643 /nfs/dbraw/zinc/88/46/43/673884643.db2.gz JTZOCKNPAQZILI-AWEZNQCLSA-N 1 2 353.344 2.015 20 30 FEEDLO N#Cc1cc(S(=O)(=O)N[C@@H]2CCn3c[nH+]cc3C2)ccc1C(F)(F)F ZINC000601968544 673900627 /nfs/dbraw/zinc/90/06/27/673900627.db2.gz NARBMLIBDSZQQF-LLVKDONJSA-N 1 2 370.356 2.067 20 30 FEEDLO N#CC1(CS(=O)(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)CCCCC1 ZINC000548129175 673926538 /nfs/dbraw/zinc/92/65/38/673926538.db2.gz MHPLWKMERNDIJM-DLBZAZTESA-N 1 2 369.531 2.023 20 30 FEEDLO N#CC1(CS(=O)(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)CCCCC1 ZINC000548129177 673926571 /nfs/dbraw/zinc/92/65/71/673926571.db2.gz MHPLWKMERNDIJM-IRXDYDNUSA-N 1 2 369.531 2.023 20 30 FEEDLO C=CC[NH+]1CCC(NC(=O)c2cccc(S(=O)(=O)C(C)C)c2)CC1 ZINC000548433138 673958016 /nfs/dbraw/zinc/95/80/16/673958016.db2.gz KVHALVJDADHEMI-UHFFFAOYSA-N 1 2 350.484 2.249 20 30 FEEDLO COc1cc(C)c(Br)cc1NC[C@H](O)C[N@H+](C)CCC#N ZINC000819471764 675292951 /nfs/dbraw/zinc/29/29/51/675292951.db2.gz VNJNWQHFMOGSGG-LBPRGKRZSA-N 1 2 356.264 2.384 20 30 FEEDLO COc1cc(C)c(Br)cc1NC[C@H](O)C[N@@H+](C)CCC#N ZINC000819471764 675292952 /nfs/dbraw/zinc/29/29/52/675292952.db2.gz VNJNWQHFMOGSGG-LBPRGKRZSA-N 1 2 356.264 2.384 20 30 FEEDLO C=CCN(C(=O)NCc1cc[nH+]c(N2CCSCC2)c1)[C@@H](C)COC ZINC000637679300 677132446 /nfs/dbraw/zinc/13/24/46/677132446.db2.gz AIJYCWKUBJYFFF-HNNXBMFYSA-N 1 2 364.515 2.367 20 30 FEEDLO CC#CC[NH2+]Cc1cn([C@@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2)nn1 ZINC000640916727 677191654 /nfs/dbraw/zinc/19/16/54/677191654.db2.gz CIZILDBFWQEQTK-KGLIPLIRSA-N 1 2 359.861 2.483 20 30 FEEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)n1cc(C[NH2+]CC#CC)nn1 ZINC000640930499 677191949 /nfs/dbraw/zinc/19/19/49/677191949.db2.gz SQDQIHKGLIMUAV-OAHLLOKOSA-N 1 2 357.483 2.228 20 30 FEEDLO CC#CC[NH2+]Cc1cn(C[C@@H](O)COc2c(Cl)cccc2Cl)nn1 ZINC000641205535 677196866 /nfs/dbraw/zinc/19/68/66/677196866.db2.gz UZUJXJQVPXBUJK-CYBMUJFWSA-N 1 2 369.252 2.138 20 30 FEEDLO CC#CC[NH2+]Cc1cn(C[C@H](O)Cc2ccccc2C(F)(F)F)nn1 ZINC000641227186 677197465 /nfs/dbraw/zinc/19/74/65/677197465.db2.gz VGUJVPOKVBWBMK-OAHLLOKOSA-N 1 2 352.360 2.013 20 30 FEEDLO C=CCNS(=O)(=O)c1ccccc1N1CC[NH+](Cc2ccco2)CC1 ZINC000641268169 677198395 /nfs/dbraw/zinc/19/83/95/677198395.db2.gz GZDDTBRLALMXEW-UHFFFAOYSA-N 1 2 361.467 2.066 20 30 FEEDLO C=C(C)CN(Cc1cnn(C(C)C)c1)S(=O)(=O)CCn1cc[nH+]c1 ZINC000641491433 677207797 /nfs/dbraw/zinc/20/77/97/677207797.db2.gz PFXVPAOLEIHTQV-UHFFFAOYSA-N 1 2 351.476 2.069 20 30 FEEDLO C=CCCn1cc(C[NH2+][C@@H](CO)c2cccc(Br)c2)nn1 ZINC000653611964 677540190 /nfs/dbraw/zinc/54/01/90/677540190.db2.gz VUWYLINTBDOBRJ-HNNXBMFYSA-N 1 2 351.248 2.440 20 30 FEEDLO C[C@@](C#N)(NC(=O)C[NH+]1CCC(Oc2ccc(Cl)cn2)CC1)C1CC1 ZINC000839201776 680744474 /nfs/dbraw/zinc/74/44/74/680744474.db2.gz ZIJVSGIXQBFMPT-SFHVURJKSA-N 1 2 362.861 2.387 20 30 FEEDLO COCC#CC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000762916899 680765808 /nfs/dbraw/zinc/76/58/08/680765808.db2.gz JDSZJFJMKQYFLF-UHFFFAOYSA-N 1 2 357.332 2.385 20 30 FEEDLO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000662079836 678574711 /nfs/dbraw/zinc/57/47/11/678574711.db2.gz NRBYWEVEGFFLQA-KSZLIROESA-N 1 2 366.527 2.128 20 30 FEEDLO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000662079836 678574713 /nfs/dbraw/zinc/57/47/13/678574713.db2.gz NRBYWEVEGFFLQA-KSZLIROESA-N 1 2 366.527 2.128 20 30 FEEDLO N#Cc1cccc([C@@H](NC(=O)/C=C\C[NH+]2CCOCC2)C(F)(F)F)c1 ZINC000831095590 679921974 /nfs/dbraw/zinc/92/19/74/679921974.db2.gz INJCKPQIBXNIRL-SVERHTFXSA-N 1 2 353.344 2.166 20 30 FEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[C@@H]2N2CCCC2=O)C1 ZINC001014787498 680042985 /nfs/dbraw/zinc/04/29/85/680042985.db2.gz AAJZMRMJSXBAEI-XHSDSOJGSA-N 1 2 353.894 2.111 20 30 FEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[C@@H]2N2CCCC2=O)C1 ZINC001014787498 680042987 /nfs/dbraw/zinc/04/29/87/680042987.db2.gz AAJZMRMJSXBAEI-XHSDSOJGSA-N 1 2 353.894 2.111 20 30 FEEDLO C=C(Br)CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001017633511 680078901 /nfs/dbraw/zinc/07/89/01/680078901.db2.gz DWBPOURTFDPFQP-XJFOESAGSA-N 1 2 365.275 2.097 20 30 FEEDLO C=C(Br)CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001017633511 680078906 /nfs/dbraw/zinc/07/89/06/680078906.db2.gz DWBPOURTFDPFQP-XJFOESAGSA-N 1 2 365.275 2.097 20 30 FEEDLO CN(C)C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000832550146 680148045 /nfs/dbraw/zinc/14/80/45/680148045.db2.gz KVQXOEQGGHQLDT-HNNXBMFYSA-N 1 2 350.850 2.478 20 30 FEEDLO CN(C)C(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000832550146 680148046 /nfs/dbraw/zinc/14/80/46/680148046.db2.gz KVQXOEQGGHQLDT-HNNXBMFYSA-N 1 2 350.850 2.478 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1C[NH+](Cc2cc(F)ccc2F)C1 ZINC001031678604 680405709 /nfs/dbraw/zinc/40/57/09/680405709.db2.gz PJHPIFRQIGXUPH-AEFFLSMTSA-N 1 2 350.409 2.494 20 30 FEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CN(c3ccccn3)C[C@H]2C)C1 ZINC001033083909 680416248 /nfs/dbraw/zinc/41/62/48/680416248.db2.gz CLBMCJHTIHOTAO-HYVNUMGLSA-N 1 2 362.905 2.439 20 30 FEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CN(c3ccccn3)C[C@H]2C)C1 ZINC001033083909 680416250 /nfs/dbraw/zinc/41/62/50/680416250.db2.gz CLBMCJHTIHOTAO-HYVNUMGLSA-N 1 2 362.905 2.439 20 30 FEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C1 ZINC001034271520 680432784 /nfs/dbraw/zinc/43/27/84/680432784.db2.gz OJCUXSDTEHUKHQ-UPJWGTAASA-N 1 2 370.799 2.056 20 30 FEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C1 ZINC001034271520 680432786 /nfs/dbraw/zinc/43/27/86/680432786.db2.gz OJCUXSDTEHUKHQ-UPJWGTAASA-N 1 2 370.799 2.056 20 30 FEEDLO Fc1ccc(-n2cc(C=NNC3=[NH+][C@@H]4CCCC[C@H]4N3)nn2)c(Cl)c1 ZINC000755816165 680438516 /nfs/dbraw/zinc/43/85/16/680438516.db2.gz YKDVPXCEXGIVLX-ZIAGYGMSSA-N 1 2 361.812 2.254 20 30 FEEDLO C=C(Br)C[NH+]1CCC(NC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)CC1 ZINC001003326400 680525556 /nfs/dbraw/zinc/52/55/56/680525556.db2.gz BLCNJQTVCJGGQO-AEGPPILISA-N 1 2 357.292 2.291 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CC[NH+]([C@H](C)c2nnc(C)s2)CC1 ZINC001003788164 680542031 /nfs/dbraw/zinc/54/20/31/680542031.db2.gz LJJPPNJRGDZSOF-KCXAZCMYSA-N 1 2 364.515 2.469 20 30 FEEDLO C#CCNC(=S)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000757941713 680544179 /nfs/dbraw/zinc/54/41/79/680544179.db2.gz VXRFTSXILOYFMD-UHFFFAOYSA-N 1 2 351.273 2.045 20 30 FEEDLO C#CCCCSc1nnc([C@H](CC)[NH+](C)C)n1CCN1CCOCC1 ZINC000766276834 680872636 /nfs/dbraw/zinc/87/26/36/680872636.db2.gz QGYSNTIEOJWRRS-INIZCTEOSA-N 1 2 365.547 2.129 20 30 FEEDLO C#CC1CC[NH+](Cn2nc3n(c2=S)c2ccccc2c(=O)n3C)CC1 ZINC000842633705 680956020 /nfs/dbraw/zinc/95/60/20/680956020.db2.gz MKVXUAUCSNLEAR-UHFFFAOYSA-N 1 2 353.451 2.020 20 30 FEEDLO C#C[C@H](C)[N@H+](C)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F ZINC000769978042 681002130 /nfs/dbraw/zinc/00/21/30/681002130.db2.gz OBCCLSMVFJEAJR-FZMZJTMJSA-N 1 2 353.344 2.246 20 30 FEEDLO C#C[C@H](C)[N@@H+](C)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F ZINC000769978042 681002131 /nfs/dbraw/zinc/00/21/31/681002131.db2.gz OBCCLSMVFJEAJR-FZMZJTMJSA-N 1 2 353.344 2.246 20 30 FEEDLO C[N@H+](CC(=O)OCC(=O)Nc1cc(Cl)ccc1C#N)[C@@H]1CCSC1 ZINC000772059261 681082781 /nfs/dbraw/zinc/08/27/81/681082781.db2.gz HBXIAKZCUBIWLJ-CYBMUJFWSA-N 1 2 367.858 2.131 20 30 FEEDLO C[N@@H+](CC(=O)OCC(=O)Nc1cc(Cl)ccc1C#N)[C@@H]1CCSC1 ZINC000772059261 681082784 /nfs/dbraw/zinc/08/27/84/681082784.db2.gz HBXIAKZCUBIWLJ-CYBMUJFWSA-N 1 2 367.858 2.131 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2nnc(C)s2)CC1 ZINC001052785889 681086212 /nfs/dbraw/zinc/08/62/12/681086212.db2.gz LDYZWBIMXULXIA-VYDXJSESSA-N 1 2 364.515 2.298 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2nnc(C)s2)CC1 ZINC001052785889 681086215 /nfs/dbraw/zinc/08/62/15/681086215.db2.gz LDYZWBIMXULXIA-VYDXJSESSA-N 1 2 364.515 2.298 20 30 FEEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1)CO2 ZINC001053905547 681105045 /nfs/dbraw/zinc/10/50/45/681105045.db2.gz JMLKFXCOFJOISE-BFHYXJOUSA-N 1 2 364.898 2.488 20 30 FEEDLO O=C(C[N@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)NC1CC1 ZINC000932946533 681333625 /nfs/dbraw/zinc/33/36/25/681333625.db2.gz RLVLEQWMCXMUKW-OCAPTIKFSA-N 1 2 366.252 2.368 20 30 FEEDLO O=C(C[N@@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)NC1CC1 ZINC000932946533 681333628 /nfs/dbraw/zinc/33/36/28/681333628.db2.gz RLVLEQWMCXMUKW-OCAPTIKFSA-N 1 2 366.252 2.368 20 30 FEEDLO FC1(F)[C@H]2C[N@H+](CC3OCCO3)C[C@H]2C(F)(F)C(F)(F)C1(F)F ZINC000932949213 681334133 /nfs/dbraw/zinc/33/41/33/681334133.db2.gz OHOJOQDWEIQPLU-KNVOCYPGSA-N 1 2 355.225 2.462 20 30 FEEDLO FC1(F)[C@H]2C[N@@H+](CC3OCCO3)C[C@H]2C(F)(F)C(F)(F)C1(F)F ZINC000932949213 681334139 /nfs/dbraw/zinc/33/41/39/681334139.db2.gz OHOJOQDWEIQPLU-KNVOCYPGSA-N 1 2 355.225 2.462 20 30 FEEDLO O=C1C=COC2(CC[NH+](CCCS(=O)(=O)c3ccc(F)cc3)CC2)C1 ZINC000933649974 681445647 /nfs/dbraw/zinc/44/56/47/681445647.db2.gz VCCVBQZTDPQUAY-UHFFFAOYSA-N 1 2 367.442 2.327 20 30 FEEDLO COc1cc(Br)cc(C=NNCCCn2cc[nH+]c2)c1O ZINC000848419229 681537071 /nfs/dbraw/zinc/53/70/71/681537071.db2.gz RONNALARHBOECW-UHFFFAOYSA-N 1 2 353.220 2.374 20 30 FEEDLO C[C@H]1CSCCC[N@@H+]1CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000934300376 681547435 /nfs/dbraw/zinc/54/74/35/681547435.db2.gz CTRGZRHAWLRXJP-GXTWGEPZSA-N 1 2 356.451 2.339 20 30 FEEDLO C[C@H]1CSCCC[N@H+]1CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000934300376 681547441 /nfs/dbraw/zinc/54/74/41/681547441.db2.gz CTRGZRHAWLRXJP-GXTWGEPZSA-N 1 2 356.451 2.339 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CC(C[NH2+]Cc2nnsc2Cl)C1 ZINC000962416896 682118304 /nfs/dbraw/zinc/11/83/04/682118304.db2.gz YLTFECFNNNNRKU-BUCSNLDVSA-N 1 2 370.906 2.157 20 30 FEEDLO N#Cc1c(NCc2ccc(-n3cc[nH+]c3)cc2)cccc1S(N)(=O)=O ZINC000784604957 682241422 /nfs/dbraw/zinc/24/14/22/682241422.db2.gz PHAUKWOFVMMFPL-UHFFFAOYSA-N 1 2 353.407 2.003 20 30 FEEDLO N#Cc1sccc1N1CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000852342159 682263785 /nfs/dbraw/zinc/26/37/85/682263785.db2.gz IAINBYIHFHPMGO-INIZCTEOSA-N 1 2 358.423 2.384 20 30 FEEDLO C=CC[N@H+](CC(=O)Nc1sc2c(c1C(N)=O)CCCC2)[C@@H](C)COC ZINC000852357643 682265935 /nfs/dbraw/zinc/26/59/35/682265935.db2.gz FSMFODKTFYCALV-LBPRGKRZSA-N 1 2 365.499 2.187 20 30 FEEDLO C=CC[N@@H+](CC(=O)Nc1sc2c(c1C(N)=O)CCCC2)[C@@H](C)COC ZINC000852357643 682265936 /nfs/dbraw/zinc/26/59/36/682265936.db2.gz FSMFODKTFYCALV-LBPRGKRZSA-N 1 2 365.499 2.187 20 30 FEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H](C)C1C[NH+](Cc2snnc2C)C1 ZINC000970560944 682307562 /nfs/dbraw/zinc/30/75/62/682307562.db2.gz RAZXMGHFZSDKGJ-NUTKFTJISA-N 1 2 364.515 2.154 20 30 FEEDLO NC(=NOCc1csc(Cl)n1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000853658971 682453415 /nfs/dbraw/zinc/45/34/15/682453415.db2.gz WNRKSVIAZVAMSB-UHFFFAOYSA-N 1 2 366.874 2.466 20 30 FEEDLO C=CCn1nnn(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1=S ZINC000919936239 683307739 /nfs/dbraw/zinc/30/77/39/683307739.db2.gz LKTXHENJZMHEAQ-UHFFFAOYSA-N 1 2 364.906 2.424 20 30 FEEDLO C[NH+](C)Cc1csc(CNS(=O)(=O)CC2(C#N)CCCCC2)n1 ZINC000921093134 683395077 /nfs/dbraw/zinc/39/50/77/683395077.db2.gz LDGWVSKRAIWIMY-UHFFFAOYSA-N 1 2 356.517 2.098 20 30 FEEDLO C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCn2c[nH+]cc2C1 ZINC000868444884 684495405 /nfs/dbraw/zinc/49/54/05/684495405.db2.gz IFFVLAMADGNTRW-ZDUSSCGKSA-N 1 2 354.838 2.261 20 30 FEEDLO CC[C@@H]([NH2+]C1CCN(S(=O)(=O)C2CC2)CC1)c1cccc(C#N)c1O ZINC000925511054 684566758 /nfs/dbraw/zinc/56/67/58/684566758.db2.gz FIDLDRPWMUACMJ-QGZVFWFLSA-N 1 2 363.483 2.261 20 30 FEEDLO C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000869102677 684581977 /nfs/dbraw/zinc/58/19/77/684581977.db2.gz FCOUUROWYLLSDA-JSGCOSHPSA-N 1 2 368.865 2.350 20 30 FEEDLO C=C(Cl)C[N@H+]1CC[C@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 ZINC000872296570 684935764 /nfs/dbraw/zinc/93/57/64/684935764.db2.gz RLKOEXAZFQGIFF-MJBXVCDLSA-N 1 2 371.865 2.253 20 30 FEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 ZINC000872296570 684935765 /nfs/dbraw/zinc/93/57/65/684935765.db2.gz RLKOEXAZFQGIFF-MJBXVCDLSA-N 1 2 371.865 2.253 20 30 FEEDLO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]Cc2cc(C#N)cnc2Cl)c1 ZINC000877003875 686308413 /nfs/dbraw/zinc/30/84/13/686308413.db2.gz ZTULEVXYTVOSPB-NSHDSACASA-N 1 2 364.858 2.366 20 30 FEEDLO C=C(Cl)C[C@H]([NH2+]C1CCC(CS(C)(=O)=O)CC1)C(=O)OCC ZINC000877670949 686433803 /nfs/dbraw/zinc/43/38/03/686433803.db2.gz CSKMSGSHUCKSAV-RUXDESIVSA-N 1 2 351.896 2.254 20 30 FEEDLO CC(C)(C)S(=O)(=O)CCC[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000878640144 686626090 /nfs/dbraw/zinc/62/60/90/686626090.db2.gz ACCRQIQZAMUZAB-OAHLLOKOSA-N 1 2 351.472 2.010 20 30 FEEDLO CC(C)(C)S(=O)(=O)CCC[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000878640144 686626095 /nfs/dbraw/zinc/62/60/95/686626095.db2.gz ACCRQIQZAMUZAB-OAHLLOKOSA-N 1 2 351.472 2.010 20 30 FEEDLO CN(C[C@H](O)C[N@H+](C)Cc1ccc(F)cc1C#N)C(=O)OC(C)(C)C ZINC000879084219 686734966 /nfs/dbraw/zinc/73/49/66/686734966.db2.gz PVDSHAAEXFRXAR-MRXNPFEDSA-N 1 2 351.422 2.357 20 30 FEEDLO CN(C[C@H](O)C[N@@H+](C)Cc1ccc(F)cc1C#N)C(=O)OC(C)(C)C ZINC000879084219 686734968 /nfs/dbraw/zinc/73/49/68/686734968.db2.gz PVDSHAAEXFRXAR-MRXNPFEDSA-N 1 2 351.422 2.357 20 30 FEEDLO C[N@H+](CCc1cccc(C#N)c1)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000879434411 686820444 /nfs/dbraw/zinc/82/04/44/686820444.db2.gz RLBNCTHXYFVPKU-UHFFFAOYSA-N 1 2 353.447 2.378 20 30 FEEDLO C[N@@H+](CCc1cccc(C#N)c1)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000879434411 686820454 /nfs/dbraw/zinc/82/04/54/686820454.db2.gz RLBNCTHXYFVPKU-UHFFFAOYSA-N 1 2 353.447 2.378 20 30 FEEDLO CN(CCCn1cc[nH+]c1)C(=O)Nc1ccc(Br)c(C#N)n1 ZINC000883097514 687563513 /nfs/dbraw/zinc/56/35/13/687563513.db2.gz MWNJAVYBIXENBV-UHFFFAOYSA-N 1 2 363.219 2.466 20 30 FEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1cc(F)ccc1OCC(F)(F)F ZINC000884066509 687782618 /nfs/dbraw/zinc/78/26/18/687782618.db2.gz ZVJZFMOROFYEJT-JTQLQIEISA-N 1 2 364.295 2.152 20 30 FEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000884130231 687795985 /nfs/dbraw/zinc/79/59/85/687795985.db2.gz DWRAMWVUJUCVTJ-JSGCOSHPSA-N 1 2 359.451 2.434 20 30 FEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H](CC)c1nc(C(F)(F)F)cs1 ZINC000884165841 687806210 /nfs/dbraw/zinc/80/62/10/687806210.db2.gz PQTBDRCXNRTXEU-DTWKUNHWSA-N 1 2 365.377 2.176 20 30 FEEDLO N#CCCc1ccc(S(=O)(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000885152491 688024085 /nfs/dbraw/zinc/02/40/85/688024085.db2.gz OPLFCQVTVNNATR-QGZVFWFLSA-N 1 2 357.435 2.380 20 30 FEEDLO N#CC1(C[C@H](O)C[N@@H+]2CCN(Cc3cccc(Cl)c3)C(=O)C2)CCC1 ZINC000886039661 688196456 /nfs/dbraw/zinc/19/64/56/688196456.db2.gz OCQOAJBGTRVUTN-KRWDZBQOSA-N 1 2 361.873 2.429 20 30 FEEDLO N#CC1(C[C@H](O)C[N@H+]2CCN(Cc3cccc(Cl)c3)C(=O)C2)CCC1 ZINC000886039661 688196460 /nfs/dbraw/zinc/19/64/60/688196460.db2.gz OCQOAJBGTRVUTN-KRWDZBQOSA-N 1 2 361.873 2.429 20 30 FEEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)OC)C1 ZINC000886858367 688328048 /nfs/dbraw/zinc/32/80/48/688328048.db2.gz YAJYVCFDIYYXRL-KBPBESRZSA-N 1 2 351.472 2.082 20 30 FEEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)OC)C1 ZINC000886858367 688328054 /nfs/dbraw/zinc/32/80/54/688328054.db2.gz YAJYVCFDIYYXRL-KBPBESRZSA-N 1 2 351.472 2.082 20 30 FEEDLO CN(Cc1cc(C#N)cs1)S(=O)(=O)c1cccc2c1CC[N@H+](C)C2 ZINC000907568859 691520409 /nfs/dbraw/zinc/52/04/09/691520409.db2.gz MIYSIAGAXFZLBA-UHFFFAOYSA-N 1 2 361.492 2.428 20 30 FEEDLO CN(Cc1cc(C#N)cs1)S(=O)(=O)c1cccc2c1CC[N@@H+](C)C2 ZINC000907568859 691520411 /nfs/dbraw/zinc/52/04/11/691520411.db2.gz MIYSIAGAXFZLBA-UHFFFAOYSA-N 1 2 361.492 2.428 20 30 FEEDLO N#Cc1cnc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)cn1 ZINC001164673896 719497738 /nfs/dbraw/zinc/49/77/38/719497738.db2.gz UKZWCBVQJNSUOQ-UHFFFAOYSA-N 1 2 367.428 2.359 20 30 FEEDLO N#Cc1cnc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)cn1 ZINC001164673896 719497749 /nfs/dbraw/zinc/49/77/49/719497749.db2.gz UKZWCBVQJNSUOQ-UHFFFAOYSA-N 1 2 367.428 2.359 20 30 FEEDLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1cc(Cl)cc(C#N)n1)C2 ZINC001165009662 721701333 /nfs/dbraw/zinc/70/13/33/721701333.db2.gz BQKMQQGSWYRBPC-UHFFFAOYSA-N 1 2 359.865 2.449 20 30 FEEDLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1cc(Cl)cc(C#N)n1)C2 ZINC001165009662 721701340 /nfs/dbraw/zinc/70/13/40/721701340.db2.gz BQKMQQGSWYRBPC-UHFFFAOYSA-N 1 2 359.865 2.449 20 30 FEEDLO N#Cc1cc(C(F)(F)N2CC[NH+](C[C@@H]3CCCO3)CC2)cc(Cl)n1 ZINC001165038001 721909001 /nfs/dbraw/zinc/90/90/01/721909001.db2.gz IPJFSMNRMFZLKU-AWEZNQCLSA-N 1 2 356.804 2.453 20 30 FEEDLO CCOC(=O)c1c[nH+]c2ccccc2c1NCCCc1[nH]nc(N)c1C#N ZINC000486433749 854510990 /nfs/dbraw/zinc/51/09/90/854510990.db2.gz VQALVRMHVCFMON-UHFFFAOYSA-N 1 2 364.409 2.055 20 30 FEEDLO N#Cc1ccc(NCC(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)nc1 ZINC000497870662 883801356 /nfs/dbraw/zinc/80/13/56/883801356.db2.gz ZRPJNZPIGBAAQD-DAXSKMNVSA-N 1 2 361.449 2.223 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3ccn(CC(F)F)n3)CC2)cc1 ZINC000483503568 887673195 /nfs/dbraw/zinc/67/31/95/887673195.db2.gz KJIRKMXHZLAALI-UHFFFAOYSA-N 1 2 374.395 2.370 20 30 FEEDLO Cc1ncc(CO)c(/C=N/C[C@@H](c2cccs2)[NH+]2CCOCC2)c1O ZINC000005110762 539402256 /nfs/dbraw/zinc/40/22/56/539402256.db2.gz VILVWGUONIDYTG-JJLFXSABSA-N 1 2 361.467 2.142 20 30 FEEDLO C#Cc1cccc(NC(=O)N2CC[NH+](CC(=O)N3CCCC[C@@H]3C)CC2)c1 ZINC000043983590 210047310 /nfs/dbraw/zinc/04/73/10/210047310.db2.gz KINNVKKJQCXZIV-KRWDZBQOSA-N 1 2 368.481 2.218 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000015742216 539622220 /nfs/dbraw/zinc/62/22/20/539622220.db2.gz FYOGAHUMYHKSGH-UHFFFAOYSA-N 1 2 350.378 2.424 20 30 FEEDLO Cn1cc[nH+]c1[C@H](NS(=O)(=O)c1ccccc1C#N)c1ccc(F)cc1 ZINC000017521719 539642407 /nfs/dbraw/zinc/64/24/07/539642407.db2.gz YBMXTVVPLNMCQX-QGZVFWFLSA-N 1 2 370.409 2.499 20 30 FEEDLO C=CC[N@@H+](CC(=O)N1CCC[C@@H](C(N)=O)C1)Cc1ccc(Cl)s1 ZINC000020942644 539678966 /nfs/dbraw/zinc/67/89/66/539678966.db2.gz PFNNMPBLNVCTCE-GFCCVEGCSA-N 1 2 355.891 2.113 20 30 FEEDLO C=CC[N@H+](CC(=O)N1CCC[C@@H](C(N)=O)C1)Cc1ccc(Cl)s1 ZINC000020942644 539678968 /nfs/dbraw/zinc/67/89/68/539678968.db2.gz PFNNMPBLNVCTCE-GFCCVEGCSA-N 1 2 355.891 2.113 20 30 FEEDLO COc1ccc(C)cc1C[NH+]1CCN(CC(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000022800886 539700138 /nfs/dbraw/zinc/70/01/38/539700138.db2.gz CPBXTFLTOKOAOS-NRFANRHFSA-N 1 2 372.513 2.176 20 30 FEEDLO CC(C)(C)C(=O)NCCCC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000025446899 539759398 /nfs/dbraw/zinc/75/93/98/539759398.db2.gz NWXNLFWIFNAKNH-UHFFFAOYSA-N 1 2 370.497 2.145 20 30 FEEDLO CC[C@H](C)NC(=O)[C@H](C)[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000027106607 539800797 /nfs/dbraw/zinc/80/07/97/539800797.db2.gz KPEYOWUDEQZJBR-KBPBESRZSA-N 1 2 371.441 2.231 20 30 FEEDLO Cn1ncc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1-n1cccc1 ZINC000030925264 539894321 /nfs/dbraw/zinc/89/43/21/539894321.db2.gz OYRIMGVVRRBPPW-UHFFFAOYSA-N 1 2 374.448 2.040 20 30 FEEDLO C=CC[NH+]1CCC(NS(=O)(=O)c2cc3c(cc2Cl)CCC3=O)CC1 ZINC000800910567 674087026 /nfs/dbraw/zinc/08/70/26/674087026.db2.gz LGZGJCHTRKKSFH-UHFFFAOYSA-N 1 2 368.886 2.398 20 30 FEEDLO N#Cc1ccc(NCC(=O)N2CC[NH+](CCOc3ccccc3)CC2)cc1 ZINC000042470538 540062890 /nfs/dbraw/zinc/06/28/90/540062890.db2.gz NXIHHOKURAHJPT-UHFFFAOYSA-N 1 2 364.449 2.193 20 30 FEEDLO CC[C@@H]1C[N@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CCO1 ZINC000045753318 540226126 /nfs/dbraw/zinc/22/61/26/540226126.db2.gz GYWNSBOEOYCHJQ-MRXNPFEDSA-N 1 2 354.372 2.284 20 30 FEEDLO CC[C@@H]1C[N@@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CCO1 ZINC000045753318 540226129 /nfs/dbraw/zinc/22/61/29/540226129.db2.gz GYWNSBOEOYCHJQ-MRXNPFEDSA-N 1 2 354.372 2.284 20 30 FEEDLO N#Cc1ccccc1N1CCC[N@@H+](CC(=O)NCc2cccs2)CC1 ZINC000046086277 540241475 /nfs/dbraw/zinc/24/14/75/540241475.db2.gz RZMFMNOYZGFVTJ-UHFFFAOYSA-N 1 2 354.479 2.448 20 30 FEEDLO N#Cc1ccccc1N1CCC[N@H+](CC(=O)NCc2cccs2)CC1 ZINC000046086277 540241478 /nfs/dbraw/zinc/24/14/78/540241478.db2.gz RZMFMNOYZGFVTJ-UHFFFAOYSA-N 1 2 354.479 2.448 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)N2CC[NH+](CCCc3ccccc3)CC2)cc1 ZINC000046561700 540261806 /nfs/dbraw/zinc/26/18/06/540261806.db2.gz LSTLJIUTQDVZGE-UHFFFAOYSA-N 1 2 369.490 2.497 20 30 FEEDLO N#Cc1cccc(CNC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC000047826989 540329945 /nfs/dbraw/zinc/32/99/45/540329945.db2.gz RZVPWYDRMAFVHI-FQEVSTJZSA-N 1 2 364.449 2.258 20 30 FEEDLO N#Cc1cccc(CNC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000047826989 540329948 /nfs/dbraw/zinc/32/99/48/540329948.db2.gz RZVPWYDRMAFVHI-FQEVSTJZSA-N 1 2 364.449 2.258 20 30 FEEDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)C(=O)Nc1cccc(C#N)c1 ZINC000048932896 540377316 /nfs/dbraw/zinc/37/73/16/540377316.db2.gz XHIMFLOSLFPRNS-UHFFFAOYSA-N 1 2 361.405 2.361 20 30 FEEDLO COc1ccc(C#N)cc1NC(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000050108190 540399320 /nfs/dbraw/zinc/39/93/20/540399320.db2.gz XIWKYFZZZRYZII-UHFFFAOYSA-N 1 2 367.409 2.120 20 30 FEEDLO C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000052508567 540469618 /nfs/dbraw/zinc/46/96/18/540469618.db2.gz NTMPYFHVUKLZSE-AEFFLSMTSA-N 1 2 355.486 2.112 20 30 FEEDLO C[C@@H]1CCCC[C@H]1N(C)C(=O)C[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000052508570 540469987 /nfs/dbraw/zinc/46/99/87/540469987.db2.gz NTMPYFHVUKLZSE-SJLPKXTDSA-N 1 2 355.486 2.112 20 30 FEEDLO CC(=O)N1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)CC1 ZINC000054423727 540589428 /nfs/dbraw/zinc/58/94/28/540589428.db2.gz ZFLZPARUJKQVRK-ZDUSSCGKSA-N 1 2 374.510 2.237 20 30 FEEDLO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(Cl)c(C#N)c1)c1ccco1 ZINC000055217724 540636677 /nfs/dbraw/zinc/63/66/77/540636677.db2.gz YSSXMTIWKONDMR-AWEZNQCLSA-N 1 2 353.831 2.386 20 30 FEEDLO CN1CC[NH+](Cc2cccc(NC(=O)COc3ccccc3C#N)c2)CC1 ZINC000057055621 540765361 /nfs/dbraw/zinc/76/53/61/540765361.db2.gz MHWFAJXWZPVOKE-UHFFFAOYSA-N 1 2 364.449 2.323 20 30 FEEDLO Cc1cc(C)c(OCC(=O)N(CCC#N)CC[NH+]2CCOCC2)c(C)c1 ZINC000060634103 541119772 /nfs/dbraw/zinc/11/97/72/541119772.db2.gz VQSLXHDOWUBPTO-UHFFFAOYSA-N 1 2 359.470 2.065 20 30 FEEDLO Cc1ccccc1CNC(=O)C[N@@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000064633513 541212975 /nfs/dbraw/zinc/21/29/75/541212975.db2.gz OAVITTDQCOFJIM-UHFFFAOYSA-N 1 2 363.465 2.090 20 30 FEEDLO Cc1ccccc1CNC(=O)C[N@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000064633513 541212978 /nfs/dbraw/zinc/21/29/78/541212978.db2.gz OAVITTDQCOFJIM-UHFFFAOYSA-N 1 2 363.465 2.090 20 30 FEEDLO N#Cc1c(F)cccc1-n1ccc(NC(=O)NCCCn2cc[nH+]c2)n1 ZINC000541907157 541296103 /nfs/dbraw/zinc/29/61/03/541296103.db2.gz BDLLVAVCFCPROY-UHFFFAOYSA-N 1 2 353.361 2.291 20 30 FEEDLO CC(=O)NC[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2SCC#N)C1 ZINC000067415433 541461223 /nfs/dbraw/zinc/46/12/23/541461223.db2.gz FURVGYOGIFSYHT-HNNXBMFYSA-N 1 2 360.483 2.089 20 30 FEEDLO CC(=O)NC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2SCC#N)C1 ZINC000067415433 541461226 /nfs/dbraw/zinc/46/12/26/541461226.db2.gz FURVGYOGIFSYHT-HNNXBMFYSA-N 1 2 360.483 2.089 20 30 FEEDLO CSc1[nH]c(=O)c(C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1C#N ZINC000068085596 541546293 /nfs/dbraw/zinc/54/62/93/541546293.db2.gz OKUJLANQOUNMKI-STQMWFEESA-N 1 2 362.499 2.479 20 30 FEEDLO N#Cc1ccc(-n2ccc(NC(=O)N3CCn4cc[nH+]c4C3)n2)c(F)c1 ZINC000543888311 541678247 /nfs/dbraw/zinc/67/82/47/541678247.db2.gz INOIFNRWCFPKCP-UHFFFAOYSA-N 1 2 351.345 2.127 20 30 FEEDLO CC[C@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000073108342 541919864 /nfs/dbraw/zinc/91/98/64/541919864.db2.gz WRPNTFUTFJWTGA-AEFFLSMTSA-N 1 2 355.486 2.255 20 30 FEEDLO N#CCOc1ccc(CNC(=O)NCc2ccnc(-n3cc[nH+]c3)c2)cc1 ZINC000076078691 542231171 /nfs/dbraw/zinc/23/11/71/542231171.db2.gz RBZOWFDHQNUPKB-UHFFFAOYSA-N 1 2 362.393 2.169 20 30 FEEDLO C=CCOc1cccc(NC(=O)N2CC[NH+]([C@H](C)C(=O)NC3CC3)CC2)c1 ZINC000077202598 542354530 /nfs/dbraw/zinc/35/45/30/542354530.db2.gz JKHMYDCTJGSHPL-OAHLLOKOSA-N 1 2 372.469 2.068 20 30 FEEDLO CCc1nc2cc(NC(=O)N(CCC#N)CC[NH+]3CCOCC3)ccc2o1 ZINC000078593808 542469801 /nfs/dbraw/zinc/46/98/01/542469801.db2.gz FYXMVQFICGVTPA-UHFFFAOYSA-N 1 2 371.441 2.470 20 30 FEEDLO Cc1cc(Cl)ccc1NC(=O)CN(CCC#N)CC[NH+]1CCOCC1 ZINC000078686441 542476232 /nfs/dbraw/zinc/47/62/32/542476232.db2.gz PHZAQWGTCZTCPF-UHFFFAOYSA-N 1 2 364.877 2.135 20 30 FEEDLO C[C@H](C#N)OCC[NH+]1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000801916899 674154685 /nfs/dbraw/zinc/15/46/85/674154685.db2.gz IXCZKFGHOOANDM-CYBMUJFWSA-N 1 2 366.259 2.136 20 30 FEEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](CCC)CC(=O)Nc1ccccc1C ZINC000078796838 542481529 /nfs/dbraw/zinc/48/15/29/542481529.db2.gz HHOLWJQGPMWODX-OAHLLOKOSA-N 1 2 360.458 2.046 20 30 FEEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](CCC)CC(=O)Nc1ccccc1C ZINC000078796838 542481533 /nfs/dbraw/zinc/48/15/33/542481533.db2.gz HHOLWJQGPMWODX-OAHLLOKOSA-N 1 2 360.458 2.046 20 30 FEEDLO Cc1cc(N(C)C)ccc1NC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000080168334 542571143 /nfs/dbraw/zinc/57/11/43/542571143.db2.gz MMDSISLRHLJXAY-UHFFFAOYSA-N 1 2 359.474 2.141 20 30 FEEDLO C=CCc1cc(C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)cc(OC)c1OC ZINC000080908085 542614386 /nfs/dbraw/zinc/61/43/86/542614386.db2.gz YJMSRZOSCSPXHM-SFHVURJKSA-N 1 2 374.481 2.369 20 30 FEEDLO C=CCOc1ccc(C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)cc1OC ZINC000080944749 542617101 /nfs/dbraw/zinc/61/71/01/542617101.db2.gz ZSEKDMLVROMSMT-QGZVFWFLSA-N 1 2 360.454 2.197 20 30 FEEDLO N#CCC[N@@H+](CC(=O)NCc1ccc(N2CCCC2=O)cc1)CC1CC1 ZINC000081514694 542662158 /nfs/dbraw/zinc/66/21/58/542662158.db2.gz PULCYSADHFTZOM-UHFFFAOYSA-N 1 2 354.454 2.055 20 30 FEEDLO N#CCC[N@H+](CC(=O)NCc1ccc(N2CCCC2=O)cc1)CC1CC1 ZINC000081514694 542662161 /nfs/dbraw/zinc/66/21/61/542662161.db2.gz PULCYSADHFTZOM-UHFFFAOYSA-N 1 2 354.454 2.055 20 30 FEEDLO CCOc1ccccc1N1CC[NH+](CC(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000078797787 132191999 /nfs/dbraw/zinc/19/19/99/132191999.db2.gz XPBGLFUAOOHETR-HXUWFJFHSA-N 1 2 358.486 2.262 20 30 FEEDLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(c2cc(C#N)c3ccccc3n2)CC1 ZINC000088757840 542756229 /nfs/dbraw/zinc/75/62/29/542756229.db2.gz CQAZMZKJAQMBHH-MRXNPFEDSA-N 1 2 363.465 2.239 20 30 FEEDLO N#CCOc1cccc(CC(=O)N2CC[NH+](Cc3cccc(O)c3)CC2)c1 ZINC000089810500 542771347 /nfs/dbraw/zinc/77/13/47/542771347.db2.gz UPXCGJMSQZCBFB-UHFFFAOYSA-N 1 2 365.433 2.181 20 30 FEEDLO CCn1c2ccccc2nc1C[N@@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000091936912 542833403 /nfs/dbraw/zinc/83/34/03/542833403.db2.gz XYXSRBRKWMMYQG-HNNXBMFYSA-N 1 2 361.453 2.429 20 30 FEEDLO CCn1c2ccccc2nc1C[N@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000091936912 542833405 /nfs/dbraw/zinc/83/34/05/542833405.db2.gz XYXSRBRKWMMYQG-HNNXBMFYSA-N 1 2 361.453 2.429 20 30 FEEDLO C=CCc1cc(C[N@H+](CC=C)[C@@H]2CCS(=O)(=O)C2)cc(OC)c1O ZINC000092361201 542859570 /nfs/dbraw/zinc/85/95/70/542859570.db2.gz VDMHZWCMWJYCBW-MRXNPFEDSA-N 1 2 351.468 2.304 20 30 FEEDLO C=CCc1cc(C[N@@H+](CC=C)[C@@H]2CCS(=O)(=O)C2)cc(OC)c1O ZINC000092361201 542859572 /nfs/dbraw/zinc/85/95/72/542859572.db2.gz VDMHZWCMWJYCBW-MRXNPFEDSA-N 1 2 351.468 2.304 20 30 FEEDLO CCS(=O)(=O)CC[N@H+](C)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000093643262 542935765 /nfs/dbraw/zinc/93/57/65/542935765.db2.gz LZUQXLIOGVRHJR-UHFFFAOYSA-N 1 2 360.483 2.330 20 30 FEEDLO CCS(=O)(=O)CC[N@@H+](C)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000093643262 542935767 /nfs/dbraw/zinc/93/57/67/542935767.db2.gz LZUQXLIOGVRHJR-UHFFFAOYSA-N 1 2 360.483 2.330 20 30 FEEDLO C=CCOc1ccc(C(=O)NC(C)(C)c2noc(C[NH+](C)C)n2)cc1OC ZINC000101531385 543029271 /nfs/dbraw/zinc/02/92/71/543029271.db2.gz OKFDRXVJHUOOEW-UHFFFAOYSA-N 1 2 374.441 2.370 20 30 FEEDLO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(Cc2ccc(F)cc2C#N)CC1 ZINC000103491508 543111641 /nfs/dbraw/zinc/11/16/41/543111641.db2.gz WVETVZVSUMYSNI-HNNXBMFYSA-N 1 2 358.461 2.262 20 30 FEEDLO COc1ccc([C@@H](NC(=O)N2CCC(C#N)CC2)c2[nH+]ccn2C)cc1 ZINC000105097140 543158600 /nfs/dbraw/zinc/15/86/00/543158600.db2.gz OLCNZFILLKZELQ-QGZVFWFLSA-N 1 2 353.426 2.463 20 30 FEEDLO C=CCOc1cccc(NC(=O)N2CC[C@@H]([NH+]3CCN(CC)CC3)C2)c1 ZINC000106942699 543257518 /nfs/dbraw/zinc/25/75/18/543257518.db2.gz NFBCCIHSXZKMGZ-GOSISDBHSA-N 1 2 358.486 2.495 20 30 FEEDLO CC(C)C[N@H+](CC(N)=O)CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000108358206 543287774 /nfs/dbraw/zinc/28/77/74/543287774.db2.gz HIMCXZHZHFPUCR-CQSZACIVSA-N 1 2 362.499 2.463 20 30 FEEDLO CC(C)C[N@@H+](CC(N)=O)CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000108358206 543287776 /nfs/dbraw/zinc/28/77/76/543287776.db2.gz HIMCXZHZHFPUCR-CQSZACIVSA-N 1 2 362.499 2.463 20 30 FEEDLO C=CC[N@@H+](C[C@H](O)COc1c(C)ccc(C)c1C)[C@@H]1CCS(=O)(=O)C1 ZINC000108870934 543306714 /nfs/dbraw/zinc/30/67/14/543306714.db2.gz FVKKUSNHWZCALC-MSOLQXFVSA-N 1 2 367.511 2.027 20 30 FEEDLO C=CC[N@H+](C[C@H](O)COc1c(C)ccc(C)c1C)[C@@H]1CCS(=O)(=O)C1 ZINC000108870934 543306716 /nfs/dbraw/zinc/30/67/16/543306716.db2.gz FVKKUSNHWZCALC-MSOLQXFVSA-N 1 2 367.511 2.027 20 30 FEEDLO Cc1nc(C[NH+]2CCC(CNS(=O)(=O)CCCCC#N)CC2)oc1C ZINC000111368748 543399904 /nfs/dbraw/zinc/39/99/04/543399904.db2.gz FOEDSQGVKOSRMN-UHFFFAOYSA-N 1 2 368.503 2.117 20 30 FEEDLO Cc1nc(C[NH+]2CCC(CNS(=O)(=O)CCCCC#N)CC2)cs1 ZINC000111357822 543399312 /nfs/dbraw/zinc/39/93/12/543399312.db2.gz NGQIWEMKDVNLNX-UHFFFAOYSA-N 1 2 370.544 2.277 20 30 FEEDLO C=CCSCCNC(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000111844277 543419332 /nfs/dbraw/zinc/41/93/32/543419332.db2.gz XWJQUKFYUCVBJV-GOSISDBHSA-N 1 2 363.527 2.148 20 30 FEEDLO C[N@H+](Cc1ccccc1N1CCOCC1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115532851 543571540 /nfs/dbraw/zinc/57/15/40/543571540.db2.gz PFRLJGKUPNYLJJ-FQEVSTJZSA-N 1 2 364.449 2.053 20 30 FEEDLO C[N@@H+](Cc1ccccc1N1CCOCC1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115532851 543571543 /nfs/dbraw/zinc/57/15/43/543571543.db2.gz PFRLJGKUPNYLJJ-FQEVSTJZSA-N 1 2 364.449 2.053 20 30 FEEDLO COCCC[N@H+](CC#Cc1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000121079661 543688428 /nfs/dbraw/zinc/68/84/28/543688428.db2.gz YIAUSEDHHKLHCA-QGZVFWFLSA-N 1 2 355.887 2.217 20 30 FEEDLO COCCC[N@@H+](CC#Cc1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000121079661 543688431 /nfs/dbraw/zinc/68/84/31/543688431.db2.gz YIAUSEDHHKLHCA-QGZVFWFLSA-N 1 2 355.887 2.217 20 30 FEEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCCN(C(=O)C2CC2)CC1 ZINC000121214324 543690912 /nfs/dbraw/zinc/69/09/12/543690912.db2.gz ZHAJKCAYIIAXJM-BQIYRTECSA-N 1 2 374.529 2.250 20 30 FEEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCCN(C(=O)C2CC2)CC1 ZINC000121214324 543690914 /nfs/dbraw/zinc/69/09/14/543690914.db2.gz ZHAJKCAYIIAXJM-BQIYRTECSA-N 1 2 374.529 2.250 20 30 FEEDLO C=CCCCCCN(C)C(=O)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000119512446 543668549 /nfs/dbraw/zinc/66/85/49/543668549.db2.gz PWUHIBORMZDPAS-UHFFFAOYSA-N 1 2 374.485 2.370 20 30 FEEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N(C)Cc1[nH+]ccn1C ZINC000119708060 543671350 /nfs/dbraw/zinc/67/13/50/543671350.db2.gz NMHUIKRPUZIEGG-ZDUSSCGKSA-N 1 2 371.466 2.269 20 30 FEEDLO C=CCc1cc(C[NH+]2CCN(Cc3nc(C)no3)CC2)cc(OC)c1O ZINC000125323579 543875243 /nfs/dbraw/zinc/87/52/43/543875243.db2.gz NVLJZUBNUZQASV-UHFFFAOYSA-N 1 2 358.442 2.139 20 30 FEEDLO C[N@@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C[C@H]1CCCCO1 ZINC000126092957 543917727 /nfs/dbraw/zinc/91/77/27/543917727.db2.gz CDSKKDNZJPGJFN-QGZVFWFLSA-N 1 2 353.426 2.183 20 30 FEEDLO C[N@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C[C@H]1CCCCO1 ZINC000126092957 543917731 /nfs/dbraw/zinc/91/77/31/543917731.db2.gz CDSKKDNZJPGJFN-QGZVFWFLSA-N 1 2 353.426 2.183 20 30 FEEDLO C=C(C)COc1cccc(NC(=O)C(=O)N(C)CCCn2cc[nH+]c2)c1 ZINC000129839842 544129217 /nfs/dbraw/zinc/12/92/17/544129217.db2.gz UPIJPTHLWRDLEZ-UHFFFAOYSA-N 1 2 356.426 2.325 20 30 FEEDLO C=CC[C@H](C)[C@H](C)[NH2+]C1CCN(S(=O)(=O)NCC(F)(F)F)CC1 ZINC000130536144 544155195 /nfs/dbraw/zinc/15/51/95/544155195.db2.gz XIITUHNKQRKGNA-RYUDHWBXSA-N 1 2 357.442 2.038 20 30 FEEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+](CC(N)=O)C(C)(C)C ZINC000131335662 544186595 /nfs/dbraw/zinc/18/65/95/544186595.db2.gz KABCDXZYKCDVFV-ZDUSSCGKSA-N 1 2 362.499 2.463 20 30 FEEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](CC(N)=O)C(C)(C)C ZINC000131335662 544186597 /nfs/dbraw/zinc/18/65/97/544186597.db2.gz KABCDXZYKCDVFV-ZDUSSCGKSA-N 1 2 362.499 2.463 20 30 FEEDLO COc1ccc(C[NH+]2CCN(CC(=O)Nc3ccccc3)CC2)cc1C#N ZINC000134950410 544329001 /nfs/dbraw/zinc/32/90/01/544329001.db2.gz KULWYTZTBPITSE-UHFFFAOYSA-N 1 2 364.449 2.323 20 30 FEEDLO COCCC[N@H+](CC#Cc1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000135186088 544337590 /nfs/dbraw/zinc/33/75/90/544337590.db2.gz OLNZHUPUZHIDLH-INIZCTEOSA-N 1 2 355.887 2.217 20 30 FEEDLO COCCC[N@@H+](CC#Cc1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000135186088 544337591 /nfs/dbraw/zinc/33/75/91/544337591.db2.gz OLNZHUPUZHIDLH-INIZCTEOSA-N 1 2 355.887 2.217 20 30 FEEDLO Cc1cccc(NC(=O)C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1C#N ZINC000151455866 544543836 /nfs/dbraw/zinc/54/38/36/544543836.db2.gz KVMYCIQOLMRLAY-PBHICJAKSA-N 1 2 351.410 2.111 20 30 FEEDLO CN(CCCn1cc[nH+]c1)C(=O)N[C@@H]1CCCN(c2ccccc2C#N)C1 ZINC000152080586 544612010 /nfs/dbraw/zinc/61/20/10/544612010.db2.gz YLEAFQACBMGDGN-GOSISDBHSA-N 1 2 366.469 2.455 20 30 FEEDLO C#CCNC(=O)[C@@H](C)[N@H+](CC)CC(=O)Nc1ccccc1C(F)(F)F ZINC000152431550 544652967 /nfs/dbraw/zinc/65/29/67/544652967.db2.gz FHIKGAVSECFACC-GFCCVEGCSA-N 1 2 355.360 2.104 20 30 FEEDLO C#CCNC(=O)[C@@H](C)[N@@H+](CC)CC(=O)Nc1ccccc1C(F)(F)F ZINC000152431550 544652969 /nfs/dbraw/zinc/65/29/69/544652969.db2.gz FHIKGAVSECFACC-GFCCVEGCSA-N 1 2 355.360 2.104 20 30 FEEDLO Cc1cccn2c(=O)cc(C[NH+]3CCN([C@@H](C#N)c4ccccc4)CC3)nc12 ZINC000153860904 544832081 /nfs/dbraw/zinc/83/20/81/544832081.db2.gz BGWSLMMMSBTBDA-FQEVSTJZSA-N 1 2 373.460 2.385 20 30 FEEDLO C=C(C)CN(CC)C(=O)C[NH+]1CCN(Cc2csc(CC)n2)CC1 ZINC000154449284 544908219 /nfs/dbraw/zinc/90/82/19/544908219.db2.gz KFZLOHQNOCQRBW-UHFFFAOYSA-N 1 2 350.532 2.248 20 30 FEEDLO CC#CCC[NH+]1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 ZINC000155032042 544980097 /nfs/dbraw/zinc/98/00/97/544980097.db2.gz NPJOQAPTHHUIKB-UHFFFAOYSA-N 1 2 371.300 2.169 20 30 FEEDLO N#Cc1c(F)cccc1C(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000187589509 328034720 /nfs/dbraw/zinc/03/47/20/328034720.db2.gz RVYAXHNPDASJCG-UHFFFAOYSA-N 1 2 363.396 2.303 20 30 FEEDLO N#Cc1nc(-c2ccco2)oc1N1CC[NH+](C[C@@H](O)CC(F)(F)F)CC1 ZINC000189593107 328157271 /nfs/dbraw/zinc/15/72/71/328157271.db2.gz XDWBRKGFVJPEQR-NSHDSACASA-N 1 2 370.331 2.242 20 30 FEEDLO Cn1cc(C[NH+]2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)cc1C#N ZINC000191229547 328255081 /nfs/dbraw/zinc/25/50/81/328255081.db2.gz QHIJJAKVLAQELU-UHFFFAOYSA-N 1 2 356.857 2.437 20 30 FEEDLO COc1cc(C[NH+]2CCN(Cc3cc(C#N)n(C)c3)CC2)cc(OC)c1 ZINC000191428801 328265403 /nfs/dbraw/zinc/26/54/03/328265403.db2.gz BPMIHMKOYQNHPC-UHFFFAOYSA-N 1 2 354.454 2.232 20 30 FEEDLO COc1cc(CN2CC[NH+](Cc3cc(C#N)n(C)c3)CC2)cc(OC)c1 ZINC000191428801 328265404 /nfs/dbraw/zinc/26/54/04/328265404.db2.gz BPMIHMKOYQNHPC-UHFFFAOYSA-N 1 2 354.454 2.232 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(CC(=O)Nc3ccccc3)CC2)cc1F ZINC000191863394 328285688 /nfs/dbraw/zinc/28/56/88/328285688.db2.gz WQLALTIJEVWTQD-UHFFFAOYSA-N 1 2 352.413 2.454 20 30 FEEDLO N#Cc1ccc(Cl)cc1NC(=O)C[NH+]1CCC(C(=O)N2CCCC2)CC1 ZINC000193181456 328361407 /nfs/dbraw/zinc/36/14/07/328361407.db2.gz UMCKECQEYDIZTG-UHFFFAOYSA-N 1 2 374.872 2.485 20 30 FEEDLO C[C@@H](C(=O)Nc1ccc(F)c(F)c1)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000193770543 328394117 /nfs/dbraw/zinc/39/41/17/328394117.db2.gz GVDPAVLYTZSPPC-ZDUSSCGKSA-N 1 2 371.391 2.381 20 30 FEEDLO CN(Cc1ccc(C#N)cc1)C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000052512985 324717562 /nfs/dbraw/zinc/71/75/62/324717562.db2.gz GSJOHMHNVAXPQF-UHFFFAOYSA-N 1 2 351.454 2.162 20 30 FEEDLO N#Cc1ccccc1Sc1ccccc1C(=O)N1CC[NH+](CCO)CC1 ZINC000078463075 325047276 /nfs/dbraw/zinc/04/72/76/325047276.db2.gz RAMKHWGGCXZJJW-UHFFFAOYSA-N 1 2 367.474 2.460 20 30 FEEDLO CN(C)C(=O)c1ccc(C[NH+]2CCN(c3cccc(F)c3C#N)CC2)[nH]1 ZINC000091918079 325397558 /nfs/dbraw/zinc/39/75/58/325397558.db2.gz BKZICXIXNNUBNH-UHFFFAOYSA-N 1 2 355.417 2.049 20 30 FEEDLO Cc1ccccc1CC(=O)N1CCN(Cc2c[nH+]c3ccc(C#N)cn23)CC1 ZINC000092733363 325423923 /nfs/dbraw/zinc/42/39/23/325423923.db2.gz AJLCVALFDUEQCW-UHFFFAOYSA-N 1 2 373.460 2.401 20 30 FEEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1nc2ccc(F)cc2o1 ZINC000119969029 326217467 /nfs/dbraw/zinc/21/74/67/326217467.db2.gz XJPZWBGBEPRQMM-LBPRGKRZSA-N 1 2 352.373 2.339 20 30 FEEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1nc2ccc(F)cc2o1 ZINC000119969029 326217470 /nfs/dbraw/zinc/21/74/70/326217470.db2.gz XJPZWBGBEPRQMM-LBPRGKRZSA-N 1 2 352.373 2.339 20 30 FEEDLO C[C@H](c1cccnc1)[NH+]1CCN(CC(=O)Nc2sccc2C#N)CC1 ZINC000120413815 326257024 /nfs/dbraw/zinc/25/70/24/326257024.db2.gz ZPNSNFYYJKHUGL-CQSZACIVSA-N 1 2 355.467 2.332 20 30 FEEDLO N#Cc1csc(C[NH+]2CCN(CC(=O)NCc3ccccc3)CC2)c1 ZINC000124425539 326453654 /nfs/dbraw/zinc/45/36/54/326453654.db2.gz ACNYYHWHQWKXHZ-UHFFFAOYSA-N 1 2 354.479 2.054 20 30 FEEDLO CCCN(CC[NH+](CC)CC)C(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000130251720 326553675 /nfs/dbraw/zinc/55/36/75/326553675.db2.gz HDWUTDSWCFPVLM-UHFFFAOYSA-N 1 2 350.488 2.162 20 30 FEEDLO CSc1[nH]c(=O)c(C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)cc1C#N ZINC000132383884 326591786 /nfs/dbraw/zinc/59/17/86/326591786.db2.gz HGGVNFMOILTPAC-CQSZACIVSA-N 1 2 360.483 2.059 20 30 FEEDLO N#Cc1ccc(N2CCC[C@@H](NC(=O)[C@@H]3CCn4c[nH+]cc4C3)C2)c(F)c1 ZINC000152419887 326706822 /nfs/dbraw/zinc/70/68/22/326706822.db2.gz LAHFZIWURYUHJI-HZPDHXFCSA-N 1 2 367.428 2.241 20 30 FEEDLO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(c2ccc([N+](=O)[O-])c(C#N)c2)CC1 ZINC000166371204 327081793 /nfs/dbraw/zinc/08/17/93/327081793.db2.gz PUEZLXHYUKSJQJ-AWEZNQCLSA-N 1 2 371.441 2.036 20 30 FEEDLO CC1(C)COCC[N@@H+]1CCNC(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000170838049 327101748 /nfs/dbraw/zinc/10/17/48/327101748.db2.gz OTXSEURSIGNTNQ-UHFFFAOYSA-N 1 2 356.470 2.343 20 30 FEEDLO CC1(C)COCC[N@H+]1CCNC(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000170838049 327101749 /nfs/dbraw/zinc/10/17/49/327101749.db2.gz OTXSEURSIGNTNQ-UHFFFAOYSA-N 1 2 356.470 2.343 20 30 FEEDLO N#Cc1ccc(F)c(CNC(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000173477554 327260235 /nfs/dbraw/zinc/26/02/35/327260235.db2.gz VMQZQVVYIXVPOQ-UHFFFAOYSA-N 1 2 363.352 2.138 20 30 FEEDLO Cc1cccc(NC(=O)C(=O)NCCCCNc2cccc[nH+]2)c1C#N ZINC000174936980 327362228 /nfs/dbraw/zinc/36/22/28/327362228.db2.gz AWOFGWFBLKXCDX-UHFFFAOYSA-N 1 2 351.410 2.209 20 30 FEEDLO COC(=O)[C@@H]1CC12CC[NH+]([C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N)CC2 ZINC000264979882 329080364 /nfs/dbraw/zinc/08/03/64/329080364.db2.gz AERNEFPVJUDNLB-WFASDCNBSA-N 1 2 359.426 2.370 20 30 FEEDLO N#Cc1ccc(C2=CC[N@H+](CC(=O)NC(=O)NCc3ccco3)CC2)cc1 ZINC000367215396 330231285 /nfs/dbraw/zinc/23/12/85/330231285.db2.gz FZJXKGBLXKEECI-UHFFFAOYSA-N 1 2 364.405 2.266 20 30 FEEDLO N#Cc1ccc(C2=CC[N@@H+](CC(=O)NC(=O)NCc3ccco3)CC2)cc1 ZINC000367215396 330231286 /nfs/dbraw/zinc/23/12/86/330231286.db2.gz FZJXKGBLXKEECI-UHFFFAOYSA-N 1 2 364.405 2.266 20 30 FEEDLO Cc1nc2n(c1C[NH+]1CCN(c3ccc(C)c(C#N)n3)CC1)CCCC2 ZINC000373647937 330248315 /nfs/dbraw/zinc/24/83/15/330248315.db2.gz DYKSCOQCJORTLY-UHFFFAOYSA-N 1 2 350.470 2.425 20 30 FEEDLO Cc1[nH+]c2n(c1CN1CCN(c3ccc(C)c(C#N)n3)CC1)CCCC2 ZINC000373647937 330248317 /nfs/dbraw/zinc/24/83/17/330248317.db2.gz DYKSCOQCJORTLY-UHFFFAOYSA-N 1 2 350.470 2.425 20 30 FEEDLO C#CC[NH+]1CCC(C(=O)OCC(=O)c2ccc(C(F)(F)F)cn2)CC1 ZINC000805452822 674337746 /nfs/dbraw/zinc/33/77/46/674337746.db2.gz UHDVVRCVLAWUAW-UHFFFAOYSA-N 1 2 354.328 2.172 20 30 FEEDLO CC[N@@H+]1CCO[C@H](C(=O)OCc2ccc(Br)cc2C#N)C1 ZINC000805474991 674339068 /nfs/dbraw/zinc/33/90/68/674339068.db2.gz JDPOQYIVAUMLJU-AWEZNQCLSA-N 1 2 353.216 2.085 20 30 FEEDLO CC[N@H+]1CCO[C@H](C(=O)OCc2ccc(Br)cc2C#N)C1 ZINC000805474991 674339069 /nfs/dbraw/zinc/33/90/69/674339069.db2.gz JDPOQYIVAUMLJU-AWEZNQCLSA-N 1 2 353.216 2.085 20 30 FEEDLO C[N@H+](Cc1nccs1)[C@@H]1CC12CCN(C(=O)c1cc(C#N)c[nH]1)CC2 ZINC000275634162 523605599 /nfs/dbraw/zinc/60/55/99/523605599.db2.gz JSKXCMZTTZONKJ-OAHLLOKOSA-N 1 2 355.467 2.470 20 30 FEEDLO C[N@@H+](Cc1nccs1)[C@@H]1CC12CCN(C(=O)c1cc(C#N)c[nH]1)CC2 ZINC000275634162 523605605 /nfs/dbraw/zinc/60/56/05/523605605.db2.gz JSKXCMZTTZONKJ-OAHLLOKOSA-N 1 2 355.467 2.470 20 30 FEEDLO Cc1nn(C)c(N2CCOCC2)c1C[N@H+](C)Cc1cc(C#N)ccc1F ZINC000155404799 545522479 /nfs/dbraw/zinc/52/24/79/545522479.db2.gz KYVXNGDNWWIBOE-UHFFFAOYSA-N 1 2 357.433 2.208 20 30 FEEDLO Cc1nn(C)c(N2CCOCC2)c1C[N@@H+](C)Cc1cc(C#N)ccc1F ZINC000155404799 545522481 /nfs/dbraw/zinc/52/24/81/545522481.db2.gz KYVXNGDNWWIBOE-UHFFFAOYSA-N 1 2 357.433 2.208 20 30 FEEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+](CCO)Cc1cccnc1 ZINC000156763055 545657029 /nfs/dbraw/zinc/65/70/29/545657029.db2.gz ROWAQQUAIDOYGH-MRXNPFEDSA-N 1 2 370.428 2.350 20 30 FEEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+](CCO)Cc1cccnc1 ZINC000156763055 545657036 /nfs/dbraw/zinc/65/70/36/545657036.db2.gz ROWAQQUAIDOYGH-MRXNPFEDSA-N 1 2 370.428 2.350 20 30 FEEDLO C[C@@H](NC(=O)c1ccc(COc2ccccc2C#N)o1)[C@H]1C[N@H+](C)CCO1 ZINC000157513500 545749886 /nfs/dbraw/zinc/74/98/86/545749886.db2.gz QBQXFPIDMNOZBM-AUUYWEPGSA-N 1 2 369.421 2.179 20 30 FEEDLO C[C@@H](NC(=O)c1ccc(COc2ccccc2C#N)o1)[C@H]1C[N@@H+](C)CCO1 ZINC000157513500 545749890 /nfs/dbraw/zinc/74/98/90/545749890.db2.gz QBQXFPIDMNOZBM-AUUYWEPGSA-N 1 2 369.421 2.179 20 30 FEEDLO CC(C)OC(=O)CC[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000157593710 545759034 /nfs/dbraw/zinc/75/90/34/545759034.db2.gz QWCAYVLSVICYNP-UHFFFAOYSA-N 1 2 358.398 2.270 20 30 FEEDLO CCOC(=O)CC[N@H+](CC(=O)Nc1ccc(C#N)cc1)Cc1cccnc1 ZINC000158025064 545812294 /nfs/dbraw/zinc/81/22/94/545812294.db2.gz LEWASCHFMORVQN-UHFFFAOYSA-N 1 2 366.421 2.347 20 30 FEEDLO CCOC(=O)CC[N@@H+](CC(=O)Nc1ccc(C#N)cc1)Cc1cccnc1 ZINC000158025064 545812298 /nfs/dbraw/zinc/81/22/98/545812298.db2.gz LEWASCHFMORVQN-UHFFFAOYSA-N 1 2 366.421 2.347 20 30 FEEDLO C=CCOC(=O)C1C(C)=NC(=S)N[C@H]1c1ccc(N2CCCC2)[nH+]c1 ZINC000159387632 545948991 /nfs/dbraw/zinc/94/89/91/545948991.db2.gz FLDIZUSQYMRTPY-INIZCTEOSA-N 1 2 358.467 2.204 20 30 FEEDLO CC(C)S(=O)(=O)CCC[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000160627556 546057870 /nfs/dbraw/zinc/05/78/70/546057870.db2.gz GPPPHGFBQDPACO-UHFFFAOYSA-N 1 2 363.527 2.279 20 30 FEEDLO CC(C)S(=O)(=O)CCC[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000160627556 546057873 /nfs/dbraw/zinc/05/78/73/546057873.db2.gz GPPPHGFBQDPACO-UHFFFAOYSA-N 1 2 363.527 2.279 20 30 FEEDLO CC(C)S(=O)(=O)CCCN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000160627556 546057876 /nfs/dbraw/zinc/05/78/76/546057876.db2.gz GPPPHGFBQDPACO-UHFFFAOYSA-N 1 2 363.527 2.279 20 30 FEEDLO CC(C)S(=O)(=O)CCCN1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000160627556 546057877 /nfs/dbraw/zinc/05/78/77/546057877.db2.gz GPPPHGFBQDPACO-UHFFFAOYSA-N 1 2 363.527 2.279 20 30 FEEDLO C=CC[N@@H+](CC(=O)Nc1cc(S(N)(=O)=O)ccc1C)Cc1ccccc1 ZINC000161397118 546127488 /nfs/dbraw/zinc/12/74/88/546127488.db2.gz SWUVFOCBXFFMCR-UHFFFAOYSA-N 1 2 373.478 2.269 20 30 FEEDLO C=CC[N@H+](CC(=O)Nc1cc(S(N)(=O)=O)ccc1C)Cc1ccccc1 ZINC000161397118 546127491 /nfs/dbraw/zinc/12/74/91/546127491.db2.gz SWUVFOCBXFFMCR-UHFFFAOYSA-N 1 2 373.478 2.269 20 30 FEEDLO C[N@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)[C@H]1CCCCNC1=O ZINC000162351374 546138741 /nfs/dbraw/zinc/13/87/41/546138741.db2.gz NHORLCCHCPOBRU-INIZCTEOSA-N 1 2 362.861 2.187 20 30 FEEDLO C[N@@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)[C@H]1CCCCNC1=O ZINC000162351374 546138744 /nfs/dbraw/zinc/13/87/44/546138744.db2.gz NHORLCCHCPOBRU-INIZCTEOSA-N 1 2 362.861 2.187 20 30 FEEDLO Cc1ccc(N(CCC#N)C(=O)C[N@@H+](C)[C@H]2CCCCNC2=O)cc1C ZINC000162349983 546139073 /nfs/dbraw/zinc/13/90/73/546139073.db2.gz BIQLBOKASAMWEG-SFHVURJKSA-N 1 2 356.470 2.151 20 30 FEEDLO Cc1ccc(N(CCC#N)C(=O)C[N@H+](C)[C@H]2CCCCNC2=O)cc1C ZINC000162349983 546139076 /nfs/dbraw/zinc/13/90/76/546139076.db2.gz BIQLBOKASAMWEG-SFHVURJKSA-N 1 2 356.470 2.151 20 30 FEEDLO Cc1nc(-c2c[nH]c(C(=O)N(CCC#N)CC[NH+]3CCOCC3)c2)cs1 ZINC000162499052 546139827 /nfs/dbraw/zinc/13/98/27/546139827.db2.gz JWJFILVKPHYORC-UHFFFAOYSA-N 1 2 373.482 2.135 20 30 FEEDLO C=CCn1c(SC[C@H](O)C[NH+]2CCOCC2)nnc1-c1ccc(C)cc1 ZINC000162958229 546142541 /nfs/dbraw/zinc/14/25/41/546142541.db2.gz NGPLBKVOJLABPF-QGZVFWFLSA-N 1 2 374.510 2.225 20 30 FEEDLO COc1cccc([C@@H]([NH2+]CC(=O)NCC#N)c2cc(F)ccc2OC)c1 ZINC000175137138 546307180 /nfs/dbraw/zinc/30/71/80/546307180.db2.gz MUYCZXHFCSSRSD-LJQANCHMSA-N 1 2 357.385 2.162 20 30 FEEDLO CC(=O)c1cc(F)cc(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)c1O ZINC000175594464 546317253 /nfs/dbraw/zinc/31/72/53/546317253.db2.gz SNMYWJVYYCPDBY-UHFFFAOYSA-N 1 2 354.385 2.323 20 30 FEEDLO CCO[C@@H]1C[C@@H]([N@H+](C)CCS(=O)(=O)c2ccc(C#N)cc2)C1(C)C ZINC000176260461 546425258 /nfs/dbraw/zinc/42/52/58/546425258.db2.gz RDGKUCJNEODQQN-IAGOWNOFSA-N 1 2 350.484 2.467 20 30 FEEDLO CCO[C@@H]1C[C@@H]([N@@H+](C)CCS(=O)(=O)c2ccc(C#N)cc2)C1(C)C ZINC000176260461 546425262 /nfs/dbraw/zinc/42/52/62/546425262.db2.gz RDGKUCJNEODQQN-IAGOWNOFSA-N 1 2 350.484 2.467 20 30 FEEDLO COc1cc(C[N@H+](C)CCS(=O)(=O)c2ccc(C#N)cc2)ccc1O ZINC000177050923 546532542 /nfs/dbraw/zinc/53/25/42/546532542.db2.gz UAZCNODVAKTITR-UHFFFAOYSA-N 1 2 360.435 2.178 20 30 FEEDLO COc1cc(C[N@@H+](C)CCS(=O)(=O)c2ccc(C#N)cc2)ccc1O ZINC000177050923 546532547 /nfs/dbraw/zinc/53/25/47/546532547.db2.gz UAZCNODVAKTITR-UHFFFAOYSA-N 1 2 360.435 2.178 20 30 FEEDLO NC(=O)c1cccnc1N1CC[NH+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000177082461 546541944 /nfs/dbraw/zinc/54/19/44/546541944.db2.gz XFUIMLQZILILBD-UHFFFAOYSA-N 1 2 354.841 2.008 20 30 FEEDLO N#Cc1csc(C(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)c1 ZINC000177440481 546619031 /nfs/dbraw/zinc/61/90/31/546619031.db2.gz UJZFBVHRYAICHU-UHFFFAOYSA-N 1 2 371.462 2.261 20 30 FEEDLO COc1cc(C#N)ccc1OCC[NH+]1CCN(C(=O)NC(C)(C)C)CC1 ZINC000481134073 561226024 /nfs/dbraw/zinc/22/60/24/561226024.db2.gz BLHVBNFTEMVYID-UHFFFAOYSA-N 1 2 360.458 2.071 20 30 FEEDLO COCCO[C@H]1CCC[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000179340082 546934343 /nfs/dbraw/zinc/93/43/43/546934343.db2.gz LCXTYRCEVUTLCU-HNNXBMFYSA-N 1 2 351.834 2.278 20 30 FEEDLO COCCO[C@H]1CCC[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000179340082 546934348 /nfs/dbraw/zinc/93/43/48/546934348.db2.gz LCXTYRCEVUTLCU-HNNXBMFYSA-N 1 2 351.834 2.278 20 30 FEEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000185152271 547942128 /nfs/dbraw/zinc/94/21/28/547942128.db2.gz SFDFNXAINTVZBF-MAUKXSAKSA-N 1 2 350.484 2.143 20 30 FEEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCO[C@]2(CCOC2)C1 ZINC000185152271 547942129 /nfs/dbraw/zinc/94/21/29/547942129.db2.gz SFDFNXAINTVZBF-MAUKXSAKSA-N 1 2 350.484 2.143 20 30 FEEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCO[C@]3(CCOC3)C2)c1C ZINC000185207310 547952112 /nfs/dbraw/zinc/95/21/12/547952112.db2.gz JGZKGPPWNQINFD-HXUWFJFHSA-N 1 2 357.454 2.041 20 30 FEEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCO[C@]3(CCOC3)C2)c1C ZINC000185207310 547952115 /nfs/dbraw/zinc/95/21/15/547952115.db2.gz JGZKGPPWNQINFD-HXUWFJFHSA-N 1 2 357.454 2.041 20 30 FEEDLO C=CCCOCCNC(=O)Nc1ccccc1C[NH+]1CCN(C(C)=O)CC1 ZINC000186862767 548207963 /nfs/dbraw/zinc/20/79/63/548207963.db2.gz MPPACJMBGBFFOG-UHFFFAOYSA-N 1 2 374.485 2.065 20 30 FEEDLO C=C[C@@](C)(CC)C(=O)Nc1ccc(C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000188157115 548272482 /nfs/dbraw/zinc/27/24/82/548272482.db2.gz LYMMMFDHJIFCDN-FQEVSTJZSA-N 1 2 359.470 2.289 20 30 FEEDLO CCN1CCC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)CC1=O ZINC000190175899 548318874 /nfs/dbraw/zinc/31/88/74/548318874.db2.gz WBSCFBPJBMWWNF-HNNXBMFYSA-N 1 2 360.433 2.015 20 30 FEEDLO CCN1CCC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)CC1=O ZINC000190175899 548318881 /nfs/dbraw/zinc/31/88/81/548318881.db2.gz WBSCFBPJBMWWNF-HNNXBMFYSA-N 1 2 360.433 2.015 20 30 FEEDLO C=CC[N@@H+](CCOC)CC(=O)Nc1cccc(I)c1 ZINC000191109558 548339894 /nfs/dbraw/zinc/33/98/94/548339894.db2.gz OESZTLCMUXKIEH-UHFFFAOYSA-N 1 2 374.222 2.364 20 30 FEEDLO C=CC[N@H+](CCOC)CC(=O)Nc1cccc(I)c1 ZINC000191109558 548339898 /nfs/dbraw/zinc/33/98/98/548339898.db2.gz OESZTLCMUXKIEH-UHFFFAOYSA-N 1 2 374.222 2.364 20 30 FEEDLO COc1ccccc1NC(=O)CN1CC[NH+](CC#Cc2ccccc2)CC1 ZINC000192123663 548358384 /nfs/dbraw/zinc/35/83/84/548358384.db2.gz BENBGYVWRPJKFK-UHFFFAOYSA-N 1 2 363.461 2.303 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCCN(C(=O)c2ccccc2F)CC1 ZINC000192560209 548365671 /nfs/dbraw/zinc/36/56/71/548365671.db2.gz NRJZJPGDBXCADJ-HXUWFJFHSA-N 1 2 374.460 2.028 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCCN(C(=O)c2ccccc2F)CC1 ZINC000192560209 548365677 /nfs/dbraw/zinc/36/56/77/548365677.db2.gz NRJZJPGDBXCADJ-HXUWFJFHSA-N 1 2 374.460 2.028 20 30 FEEDLO C=C[C@@H]1CCCCN1c1nc(NCCOC)[nH+]c(N2CCCC[C@H]2C=C)n1 ZINC000486484293 561348661 /nfs/dbraw/zinc/34/86/61/561348661.db2.gz FDCHBOKAUYYHBR-IAGOWNOFSA-N 1 2 372.517 2.442 20 30 FEEDLO C=C[C@@H]1CCCCN1c1nc(NCCOC)nc(N2CCCC[C@H]2C=C)[nH+]1 ZINC000486484293 561348663 /nfs/dbraw/zinc/34/86/63/561348663.db2.gz FDCHBOKAUYYHBR-IAGOWNOFSA-N 1 2 372.517 2.442 20 30 FEEDLO N#Cc1ccc(NC(=O)C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000194277122 548459257 /nfs/dbraw/zinc/45/92/57/548459257.db2.gz BAFXEMNSVAQBMH-UHFFFAOYSA-N 1 2 365.393 2.227 20 30 FEEDLO Cc1cc(C)c(C#N)c(N2CC[NH+](CC(=O)N(C)C3CCCCC3)CC2)n1 ZINC000487990516 561380642 /nfs/dbraw/zinc/38/06/42/561380642.db2.gz BNSTYMUQSWBFII-UHFFFAOYSA-N 1 2 369.513 2.483 20 30 FEEDLO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3nnc(-c4ccc(C#N)cc4)o3)[C@H]2C1 ZINC000246700728 549192491 /nfs/dbraw/zinc/19/24/91/549192491.db2.gz NCQKWIRBCQWUMR-IKGGRYGDSA-N 1 2 354.410 2.377 20 30 FEEDLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3nnc(-c4ccc(C#N)cc4)o3)[C@H]2C1 ZINC000246700728 549192496 /nfs/dbraw/zinc/19/24/96/549192496.db2.gz NCQKWIRBCQWUMR-IKGGRYGDSA-N 1 2 354.410 2.377 20 30 FEEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCS[C@@H]3COCC[C@H]32)cc1Cl ZINC000246744037 549201358 /nfs/dbraw/zinc/20/13/58/549201358.db2.gz GWRHFVQLEANABO-HUUCEWRRSA-N 1 2 351.859 2.356 20 30 FEEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCS[C@@H]3COCC[C@H]32)cc1Cl ZINC000246744037 549201362 /nfs/dbraw/zinc/20/13/62/549201362.db2.gz GWRHFVQLEANABO-HUUCEWRRSA-N 1 2 351.859 2.356 20 30 FEEDLO N#Cc1cc(S(=O)(=O)N2CC[NH+](CCc3ccccc3)CC2)ccc1F ZINC000488859878 561398283 /nfs/dbraw/zinc/39/82/83/561398283.db2.gz WUOBFCCKSQQNDR-UHFFFAOYSA-N 1 2 373.453 2.246 20 30 FEEDLO C=CCCCS(=O)(=O)NC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000489124536 561404010 /nfs/dbraw/zinc/40/40/10/561404010.db2.gz CODZUTADDXJFIH-QGZVFWFLSA-N 1 2 351.516 2.083 20 30 FEEDLO COc1c(C)c[nH+]c(CN(C)S(=O)(=O)c2cnc(C)c(C#N)c2)c1C ZINC000489218509 561405910 /nfs/dbraw/zinc/40/59/10/561405910.db2.gz NAMLNBSLHUQAKK-UHFFFAOYSA-N 1 2 360.439 2.103 20 30 FEEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)c(C#N)c1C ZINC000249711899 549619012 /nfs/dbraw/zinc/61/90/12/549619012.db2.gz FKZBCVVJVNLDME-XJKSGUPXSA-N 1 2 372.469 2.333 20 30 FEEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)c(C#N)c1C ZINC000249711899 549619017 /nfs/dbraw/zinc/61/90/17/549619017.db2.gz FKZBCVVJVNLDME-XJKSGUPXSA-N 1 2 372.469 2.333 20 30 FEEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1C[C@H](C)O[C@H](COC)C1 ZINC000251889525 549656225 /nfs/dbraw/zinc/65/62/25/549656225.db2.gz QFTXCSHFCSTJLV-JYJNAYRXSA-N 1 2 352.500 2.387 20 30 FEEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1C[C@H](C)O[C@H](COC)C1 ZINC000251889525 549656229 /nfs/dbraw/zinc/65/62/29/549656229.db2.gz QFTXCSHFCSTJLV-JYJNAYRXSA-N 1 2 352.500 2.387 20 30 FEEDLO C=CCCS(=O)(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000252735320 549678640 /nfs/dbraw/zinc/67/86/40/549678640.db2.gz JZEBJPWKOVDMCY-HOTGVXAUSA-N 1 2 358.891 2.207 20 30 FEEDLO C=CCCS(=O)(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000252735320 549678643 /nfs/dbraw/zinc/67/86/43/549678643.db2.gz JZEBJPWKOVDMCY-HOTGVXAUSA-N 1 2 358.891 2.207 20 30 FEEDLO Cn1cc[nH+]c1[C@@H](NC(=O)N1CCO[C@H](C#N)C1)c1ccc(Cl)cc1 ZINC000264398913 549995466 /nfs/dbraw/zinc/99/54/66/549995466.db2.gz OOMWYRPGSRCYAA-CABCVRRESA-N 1 2 359.817 2.097 20 30 FEEDLO NC(CN1CCOCC1)=[NH+]OCc1coc(-c2ccc(Cl)cc2)n1 ZINC000264720394 550000165 /nfs/dbraw/zinc/00/01/65/550000165.db2.gz OTTKLURRBVFTRY-UHFFFAOYSA-N 1 2 350.806 2.116 20 30 FEEDLO COc1cccc([C@@H](C)[NH+]2CCN(S(=O)(=O)CCCC#N)CC2)c1 ZINC000264714828 550000443 /nfs/dbraw/zinc/00/04/43/550000443.db2.gz CLDITFOACYJMED-OAHLLOKOSA-N 1 2 351.472 2.007 20 30 FEEDLO Cc1cnc(N2CC[NH+]([C@H](C)C(=O)NC3(C#N)CCCCC3)CC2)s1 ZINC000265448445 550009986 /nfs/dbraw/zinc/00/99/86/550009986.db2.gz SIXFVAGYSISKBT-OAHLLOKOSA-N 1 2 361.515 2.305 20 30 FEEDLO C=CCCCN(C)C(=O)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000265623117 550012703 /nfs/dbraw/zinc/01/27/03/550012703.db2.gz YRDDBSHCCGRBAA-INIZCTEOSA-N 1 2 359.470 2.443 20 30 FEEDLO C[NH+](C)CCCNC(=O)C[C@H]1S/C(=N/c2ccccc2)N(C2CC2)C1=O ZINC000266016922 550016213 /nfs/dbraw/zinc/01/62/13/550016213.db2.gz SHWGVNKULWYOTN-QQMHEVNUSA-N 1 2 374.510 2.239 20 30 FEEDLO C[NH+](C)CCCNC(=O)CC1S/C(=N/c2ccccc2)N(C2CC2)C1=O ZINC000266016922 550016215 /nfs/dbraw/zinc/01/62/15/550016215.db2.gz SHWGVNKULWYOTN-QQMHEVNUSA-N 1 2 374.510 2.239 20 30 FEEDLO C=CCN(CC=C)C(=O)C[NH2+][C@@](C)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000267407694 550030954 /nfs/dbraw/zinc/03/09/54/550030954.db2.gz SGCSLMLOSLTSLT-QGZVFWFLSA-N 1 2 369.387 2.196 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Nc1ccc(-c2cc[nH]n2)cc1 ZINC000267443091 550031635 /nfs/dbraw/zinc/03/16/35/550031635.db2.gz KJNGALAKTIAUIJ-UHFFFAOYSA-N 1 2 368.441 2.156 20 30 FEEDLO CC(C)[N@H+](CC(=O)Nc1ccc(F)cc1)CC(=O)N(CCC#N)CCC#N ZINC000268553472 550086347 /nfs/dbraw/zinc/08/63/47/550086347.db2.gz QETSVVMFBXJNGJ-UHFFFAOYSA-N 1 2 373.432 2.131 20 30 FEEDLO CC(C)[N@@H+](CC(=O)Nc1ccc(F)cc1)CC(=O)N(CCC#N)CCC#N ZINC000268553472 550086352 /nfs/dbraw/zinc/08/63/52/550086352.db2.gz QETSVVMFBXJNGJ-UHFFFAOYSA-N 1 2 373.432 2.131 20 30 FEEDLO CSc1nsc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000268553286 550086461 /nfs/dbraw/zinc/08/64/61/550086461.db2.gz BRAWJDBMRBVVHV-UHFFFAOYSA-N 1 2 374.495 2.481 20 30 FEEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000268964455 550138150 /nfs/dbraw/zinc/13/81/50/550138150.db2.gz KLFCKPIKFMFEPR-GOEBONIOSA-N 1 2 363.508 2.447 20 30 FEEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000268964455 550138154 /nfs/dbraw/zinc/13/81/54/550138154.db2.gz KLFCKPIKFMFEPR-GOEBONIOSA-N 1 2 363.508 2.447 20 30 FEEDLO COc1ccccc1[C@@H](C)NC(=O)CO[NH+]=C(N)c1ccc2c(c1)CCO2 ZINC000269843111 550229986 /nfs/dbraw/zinc/22/99/86/550229986.db2.gz CREWSPFSKCDSQD-CYBMUJFWSA-N 1 2 369.421 2.144 20 30 FEEDLO C#CC[C@@H](NC(=O)NCc1cc[nH+]c(N2CCOCC2)c1)c1ccccc1 ZINC000270476566 550276051 /nfs/dbraw/zinc/27/60/51/550276051.db2.gz WCCPKWJTWVXKEO-LJQANCHMSA-N 1 2 364.449 2.482 20 30 FEEDLO CC(=O)N1CC[N@H+](CC(=O)Nc2cccc(C#N)c2)CC12CCCCC2 ZINC000270918132 550320688 /nfs/dbraw/zinc/32/06/88/550320688.db2.gz UTFYZPVHRDEUHC-UHFFFAOYSA-N 1 2 354.454 2.364 20 30 FEEDLO CC(=O)N1CC[N@@H+](CC(=O)Nc2cccc(C#N)c2)CC12CCCCC2 ZINC000270918132 550320691 /nfs/dbraw/zinc/32/06/91/550320691.db2.gz UTFYZPVHRDEUHC-UHFFFAOYSA-N 1 2 354.454 2.364 20 30 FEEDLO CC(C)(C#N)CC[NH+]1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 ZINC000272047825 550418865 /nfs/dbraw/zinc/41/88/65/550418865.db2.gz SNDHOXPYTGMOTG-UHFFFAOYSA-N 1 2 357.426 2.211 20 30 FEEDLO C#CCN(C(=O)N[C@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1)C1CC1 ZINC000274075053 550522115 /nfs/dbraw/zinc/52/21/15/550522115.db2.gz GCSIIWJKZKRPQQ-SFHVURJKSA-N 1 2 368.437 2.334 20 30 FEEDLO COc1ccc(C[N@@H+]2CCC[C@H](S(C)(=O)=O)C2)cc1OCCCC#N ZINC000274156754 550525375 /nfs/dbraw/zinc/52/53/75/550525375.db2.gz UCXBEMHIENIBAI-INIZCTEOSA-N 1 2 366.483 2.387 20 30 FEEDLO COc1ccc(C[N@H+]2CCC[C@H](S(C)(=O)=O)C2)cc1OCCCC#N ZINC000274156754 550525376 /nfs/dbraw/zinc/52/53/76/550525376.db2.gz UCXBEMHIENIBAI-INIZCTEOSA-N 1 2 366.483 2.387 20 30 FEEDLO CC1(C)CN(S(=O)(=O)c2cccnc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000277036919 550624707 /nfs/dbraw/zinc/62/47/07/550624707.db2.gz OVOFRNFXFBIMLW-UHFFFAOYSA-N 1 2 370.478 2.238 20 30 FEEDLO CC1(C)CN(S(=O)(=O)c2cccnc2C#N)CC[N@H+]1Cc1ccccc1 ZINC000277036919 550624708 /nfs/dbraw/zinc/62/47/08/550624708.db2.gz OVOFRNFXFBIMLW-UHFFFAOYSA-N 1 2 370.478 2.238 20 30 FEEDLO C=CCOc1ccc(/C=C/C(=O)NCC2([NH+]3CCOCC3)CC2)cc1OC ZINC000277796931 550715261 /nfs/dbraw/zinc/71/52/61/550715261.db2.gz GCRQQMNGJLQIDS-FNORWQNLSA-N 1 2 372.465 2.254 20 30 FEEDLO C#CC[NH+]1CCC(c2nc(CS(=O)(=O)c3ccc(C)cc3)no2)CC1 ZINC000278204117 550760296 /nfs/dbraw/zinc/76/02/96/550760296.db2.gz VUHFAYLPSLACFJ-UHFFFAOYSA-N 1 2 359.451 2.165 20 30 FEEDLO C[C@H]1CN(C(=O)c2cc(-c3cccc(C#N)c3)no2)C[C@@H]1[NH+]1CCOCC1 ZINC000279132323 550857346 /nfs/dbraw/zinc/85/73/46/550857346.db2.gz XGMFJCKZKNLBKB-KSSFIOAISA-N 1 2 366.421 2.006 20 30 FEEDLO Cc1oc(C#N)cc1C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000280583587 551010203 /nfs/dbraw/zinc/01/02/03/551010203.db2.gz AKLXARMVVNWIRF-MOPGFXCFSA-N 1 2 351.406 2.185 20 30 FEEDLO Cc1oc(C#N)cc1C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000280583587 551010204 /nfs/dbraw/zinc/01/02/04/551010204.db2.gz AKLXARMVVNWIRF-MOPGFXCFSA-N 1 2 351.406 2.185 20 30 FEEDLO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCO[C@]3(CCO[C@H]3C)C2)cc1C ZINC000280600621 551012107 /nfs/dbraw/zinc/01/21/07/551012107.db2.gz XDVGHBOJLFNCGU-GHTZIAJQSA-N 1 2 371.481 2.430 20 30 FEEDLO Cc1ccc(N(CCC#N)C(=O)C[N@H+]2CCO[C@]3(CCO[C@H]3C)C2)cc1C ZINC000280600621 551012108 /nfs/dbraw/zinc/01/21/08/551012108.db2.gz XDVGHBOJLFNCGU-GHTZIAJQSA-N 1 2 371.481 2.430 20 30 FEEDLO CC1(C)C[N@H+](CC(=O)N(CCC#N)c2ccccc2)C[C@@]2(CCOC2)O1 ZINC000280636679 551016043 /nfs/dbraw/zinc/01/60/43/551016043.db2.gz XVMYXTGAQJNHHI-HXUWFJFHSA-N 1 2 357.454 2.203 20 30 FEEDLO CC1(C)C[N@@H+](CC(=O)N(CCC#N)c2ccccc2)C[C@@]2(CCOC2)O1 ZINC000280636679 551016044 /nfs/dbraw/zinc/01/60/44/551016044.db2.gz XVMYXTGAQJNHHI-HXUWFJFHSA-N 1 2 357.454 2.203 20 30 FEEDLO C#CCC[NH+]1CCN(C(=O)c2cccc(NC(=O)OC(C)(C)C)n2)CC1 ZINC000280722410 551025362 /nfs/dbraw/zinc/02/53/62/551025362.db2.gz IYZGFFXWEWBCDV-UHFFFAOYSA-N 1 2 358.442 2.210 20 30 FEEDLO C=CCN1CC[C@@H](N(C)C(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)C1=O ZINC000281222532 551075268 /nfs/dbraw/zinc/07/52/68/551075268.db2.gz DLGVSCRZXPVIHP-QZTJIDSGSA-N 1 2 373.522 2.022 20 30 FEEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](C)C(=O)Nc2nc3ccccc3s2)C1=O ZINC000281516581 551107823 /nfs/dbraw/zinc/10/78/23/551107823.db2.gz ZBYYLWWKKOQNRO-GXTWGEPZSA-N 1 2 358.467 2.342 20 30 FEEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H](C)C(=O)Nc2nc3ccccc3s2)C1=O ZINC000281516581 551107825 /nfs/dbraw/zinc/10/78/25/551107825.db2.gz ZBYYLWWKKOQNRO-GXTWGEPZSA-N 1 2 358.467 2.342 20 30 FEEDLO COc1cc(C[NH2+][C@@H](c2nc(-c3nc[nH]n3)no2)C(C)C)ccc1C#N ZINC000281602576 551119027 /nfs/dbraw/zinc/11/90/27/551119027.db2.gz GAQPNNZXJGLMMW-CQSZACIVSA-N 1 2 353.386 2.222 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000281621643 551121772 /nfs/dbraw/zinc/12/17/72/551121772.db2.gz XALVTIJDONKLRA-UFYCRDLUSA-N 1 2 373.497 2.340 20 30 FEEDLO O=C(CCOCC(F)(F)C(F)F)NCc1[nH+]ccn1CC(F)(F)F ZINC000497118509 561497396 /nfs/dbraw/zinc/49/73/96/561497396.db2.gz ZFQQZJBBWWGNMS-UHFFFAOYSA-N 1 2 365.249 2.369 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000281824496 551145326 /nfs/dbraw/zinc/14/53/26/551145326.db2.gz PJLYKWYTJGFAFD-WBVHZDCISA-N 1 2 368.437 2.123 20 30 FEEDLO C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)c1cc(C#N)ccn1 ZINC000283026031 551299632 /nfs/dbraw/zinc/29/96/32/551299632.db2.gz KEPFRGVMNUQCSH-KRWDZBQOSA-N 1 2 364.449 2.316 20 30 FEEDLO C[C@H](CC#N)N(C)S(=O)(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000283037620 551301535 /nfs/dbraw/zinc/30/15/35/551301535.db2.gz QZBHTWKTPZEWGU-IUODEOHRSA-N 1 2 358.895 2.011 20 30 FEEDLO Cc1nc(C#N)c(N2CCC(C(=O)N[C@@H](c3[nH]cc[nH+]3)C(C)C)CC2)o1 ZINC000283065420 551306213 /nfs/dbraw/zinc/30/62/13/551306213.db2.gz REKKXOOZODXBFR-OAHLLOKOSA-N 1 2 356.430 2.308 20 30 FEEDLO C[C@@H](O[NH+]=C(N)c1ccc2c(c1)CCO2)C(=O)N1CCc2sccc2C1 ZINC000283335377 551349507 /nfs/dbraw/zinc/34/95/07/551349507.db2.gz JTPZPAJFRFJTBR-GFCCVEGCSA-N 1 2 371.462 2.293 20 30 FEEDLO C=CCn1c(-c2cccn2C)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC000283502258 551377979 /nfs/dbraw/zinc/37/79/79/551377979.db2.gz MFGXPQPFIFJRCH-UHFFFAOYSA-N 1 2 367.457 2.088 20 30 FEEDLO CC(=O)NC(C)(C)C(N)=[NH+]OCc1ccc(Br)c([N+](=O)[O-])c1 ZINC000283511603 551379155 /nfs/dbraw/zinc/37/91/55/551379155.db2.gz KOMXRXVLZCWCGZ-UHFFFAOYSA-N 1 2 373.207 2.061 20 30 FEEDLO C=CCCCN(C)C(=O)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1F ZINC000284264652 551510569 /nfs/dbraw/zinc/51/05/69/551510569.db2.gz IWJQCGRKPBKJFG-MRXNPFEDSA-N 1 2 358.417 2.189 20 30 FEEDLO C=CCC[C@@H](O)CN1CCN(C(=O)OC(C)(C)C)C[C@H]1c1[nH+]ccn1C ZINC000284344724 551528824 /nfs/dbraw/zinc/52/88/24/551528824.db2.gz CLCJXQVSODHQML-CVEARBPZSA-N 1 2 364.490 2.341 20 30 FEEDLO Cc1c(S(=O)(=O)N2CCC(C#N)([NH+](C)C)CC2)c2ccccc2n1C ZINC000284359934 551532603 /nfs/dbraw/zinc/53/26/03/551532603.db2.gz QSDQDDKORXMKGE-UHFFFAOYSA-N 1 2 360.483 2.095 20 30 FEEDLO C=CCCCCNC(=O)C(=O)N[C@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000284453348 551552590 /nfs/dbraw/zinc/55/25/90/551552590.db2.gz VLHKGJLTRHACRR-INIZCTEOSA-N 1 2 358.417 2.237 20 30 FEEDLO CC(C)(C)OC(=O)N1CCN(Cc2ccc(-n3cc[nH+]c3)nc2)[C@H](C#N)C1 ZINC000285375198 551745562 /nfs/dbraw/zinc/74/55/62/551745562.db2.gz CMABSWKQOILJKM-MRXNPFEDSA-N 1 2 368.441 2.212 20 30 FEEDLO COC(=O)c1ccc(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)nc1 ZINC000285514498 551768071 /nfs/dbraw/zinc/76/80/71/551768071.db2.gz FZYSEUOUAIQWMP-LJQANCHMSA-N 1 2 350.422 2.251 20 30 FEEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000285706685 551798409 /nfs/dbraw/zinc/79/84/09/551798409.db2.gz OQLBRVVBQABYEM-GDBMZVCRSA-N 1 2 359.474 2.442 20 30 FEEDLO COc1ccccc1O[C@H]1CCC[N@H+](CC(=O)N[C@@](C)(C#N)C2CC2)C1 ZINC000286331173 551875130 /nfs/dbraw/zinc/87/51/30/551875130.db2.gz FYCBNLWBEKZLCO-JXFKEZNVSA-N 1 2 357.454 2.347 20 30 FEEDLO COc1ccccc1O[C@H]1CCC[N@@H+](CC(=O)N[C@@](C)(C#N)C2CC2)C1 ZINC000286331173 551875131 /nfs/dbraw/zinc/87/51/31/551875131.db2.gz FYCBNLWBEKZLCO-JXFKEZNVSA-N 1 2 357.454 2.347 20 30 FEEDLO Cn1ncc2c1nc[nH+]c2N1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000286454481 551887281 /nfs/dbraw/zinc/88/72/81/551887281.db2.gz SGNZMTYMJBPZPG-UHFFFAOYSA-N 1 2 352.373 2.422 20 30 FEEDLO COC(=O)c1cnoc1C[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000286483866 551891207 /nfs/dbraw/zinc/89/12/07/551891207.db2.gz QCCWLEIGILHAPL-UHFFFAOYSA-N 1 2 368.393 2.184 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Cn1ccc2ccc(Cl)cc21 ZINC000499335943 561549151 /nfs/dbraw/zinc/54/91/51/561549151.db2.gz LCVPLTZQOLCSIB-UHFFFAOYSA-N 1 2 374.872 2.369 20 30 FEEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Nc1ncccc1OCCCC#N ZINC000287719795 552038344 /nfs/dbraw/zinc/03/83/44/552038344.db2.gz VKTLUYDHPNMBLV-HZPDHXFCSA-N 1 2 373.457 2.091 20 30 FEEDLO C=CCOc1ccc(CNC(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)cc1 ZINC000288597035 552181885 /nfs/dbraw/zinc/18/18/85/552181885.db2.gz YJGTZGUHOGVQQS-UHFFFAOYSA-N 1 2 367.453 2.382 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)C(=O)Nc2ccccc2OC(F)F)C1=O ZINC000499935723 561562284 /nfs/dbraw/zinc/56/22/84/561562284.db2.gz MPVRLQCEGMHDSX-JSGCOSHPSA-N 1 2 367.396 2.334 20 30 FEEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)C(=O)Nc2ccccc2OC(F)F)C1=O ZINC000499935723 561562285 /nfs/dbraw/zinc/56/22/85/561562285.db2.gz MPVRLQCEGMHDSX-JSGCOSHPSA-N 1 2 367.396 2.334 20 30 FEEDLO Cc1onc(CC(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)c1C#N ZINC000499991677 561563584 /nfs/dbraw/zinc/56/35/84/561563584.db2.gz JYLFVBAEPIBOGW-ZDUSSCGKSA-N 1 2 354.410 2.429 20 30 FEEDLO C[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)c1c(F)cccc1F ZINC000289837968 552387053 /nfs/dbraw/zinc/38/70/53/552387053.db2.gz KAYIBYYFYCOWBC-NSHDSACASA-N 1 2 351.378 2.356 20 30 FEEDLO C=CCn1c(C)nnc1N1CC[NH+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000290081278 552424726 /nfs/dbraw/zinc/42/47/26/552424726.db2.gz CVGYSQMVWCWPDH-UHFFFAOYSA-N 1 2 371.876 2.396 20 30 FEEDLO C=C[C@@](C)(O)CC(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000290796687 552539738 /nfs/dbraw/zinc/53/97/38/552539738.db2.gz UFJGZMOBLLZCEO-MRXNPFEDSA-N 1 2 366.259 2.391 20 30 FEEDLO C[N@@H+]1CCN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)C(C)(C)C1 ZINC000501192552 561592228 /nfs/dbraw/zinc/59/22/28/561592228.db2.gz QXRFHPGJZVFXCR-UHFFFAOYSA-N 1 2 361.389 2.292 20 30 FEEDLO C[N@H+]1CCN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)C(C)(C)C1 ZINC000501192552 561592229 /nfs/dbraw/zinc/59/22/29/561592229.db2.gz QXRFHPGJZVFXCR-UHFFFAOYSA-N 1 2 361.389 2.292 20 30 FEEDLO CC[C@@H](C)[C@H](NC(=O)C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1)C(=O)OC ZINC000502555466 561621010 /nfs/dbraw/zinc/62/10/10/561621010.db2.gz XFJHKBKDZXRAMB-QRWLVFNGSA-N 1 2 369.465 2.351 20 30 FEEDLO CC[C@@H](C)[C@H](NC(=O)C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1)C(=O)OC ZINC000502555466 561621011 /nfs/dbraw/zinc/62/10/11/561621011.db2.gz XFJHKBKDZXRAMB-QRWLVFNGSA-N 1 2 369.465 2.351 20 30 FEEDLO C#CCOc1ccc(CNC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000296488919 553168615 /nfs/dbraw/zinc/16/86/15/553168615.db2.gz MWPKOFFEMLCAKH-QGZVFWFLSA-N 1 2 350.422 2.172 20 30 FEEDLO CC(C)(CC#N)CS(=O)(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000296789778 553212197 /nfs/dbraw/zinc/21/21/97/553212197.db2.gz SPQACJKKWRIKFP-UHFFFAOYSA-N 1 2 350.488 2.431 20 30 FEEDLO CCc1noc(C)c1CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000297757423 553334917 /nfs/dbraw/zinc/33/49/17/553334917.db2.gz LYRNPAWMAVKSAD-UHFFFAOYSA-N 1 2 367.453 2.445 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000503255481 561638148 /nfs/dbraw/zinc/63/81/48/561638148.db2.gz IBMHTGMJEIXVHC-OXJNMPFZSA-N 1 2 358.486 2.192 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000503255481 561638149 /nfs/dbraw/zinc/63/81/49/561638149.db2.gz IBMHTGMJEIXVHC-OXJNMPFZSA-N 1 2 358.486 2.192 20 30 FEEDLO C[C@H]1C[C@H](C)CN(C(=O)CO[NH+]=C(N)c2ccc(N3CCCCC3)nc2)C1 ZINC000299318664 553546987 /nfs/dbraw/zinc/54/69/87/553546987.db2.gz KGEKWSJUFLZDTF-HOTGVXAUSA-N 1 2 373.501 2.213 20 30 FEEDLO C[C@@H]1CCC[C@H](C)N1C(=O)CO[NH+]=C(N)c1ccc(N2CCCCC2)nc1 ZINC000299347267 553551217 /nfs/dbraw/zinc/55/12/17/553551217.db2.gz XCBZHBNQRZEXAW-IYBDPMFKSA-N 1 2 373.501 2.498 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)CSc1ccc(F)c(F)c1 ZINC000299582105 553584427 /nfs/dbraw/zinc/58/44/27/553584427.db2.gz YVNPVXQFZFMVJY-UHFFFAOYSA-N 1 2 369.437 2.131 20 30 FEEDLO Cc1cc(NC(=O)C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)no1 ZINC000299609110 553588218 /nfs/dbraw/zinc/58/82/18/553588218.db2.gz HILUXTYGWZMLIB-UHFFFAOYSA-N 1 2 367.409 2.144 20 30 FEEDLO Cn1ncc2c1nc[nH+]c2N1CCN(c2cc(C#N)nc3ccccc32)CC1 ZINC000301345061 553643836 /nfs/dbraw/zinc/64/38/36/553643836.db2.gz KAUZAZZKZQWRIF-UHFFFAOYSA-N 1 2 370.420 2.110 20 30 FEEDLO C[C@H](c1nc(-c2ccccc2)no1)[NH+]1CCN(c2ccc(C#N)nn2)CC1 ZINC000301936587 553692988 /nfs/dbraw/zinc/69/29/88/553692988.db2.gz RMHXBTSUOMZQLS-CQSZACIVSA-N 1 2 361.409 2.281 20 30 FEEDLO CC[C@H](C#N)Oc1cc(CNc2nc3c(cnn3C)c(N)[nH+]2)ccc1OC ZINC000302876106 553739072 /nfs/dbraw/zinc/73/90/72/553739072.db2.gz FXIUHLGFFLEWNS-GFCCVEGCSA-N 1 2 367.413 2.247 20 30 FEEDLO CC[C@@H]1CN(C(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)C2CCCCC2)CCO1 ZINC000328796983 553823520 /nfs/dbraw/zinc/82/35/20/553823520.db2.gz VJPSYUVNXNMQPL-SJORKVTESA-N 1 2 362.474 2.495 20 30 FEEDLO CC[C@@H]1CN(C(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)C2CCCCC2)CCO1 ZINC000328796983 553823522 /nfs/dbraw/zinc/82/35/22/553823522.db2.gz VJPSYUVNXNMQPL-SJORKVTESA-N 1 2 362.474 2.495 20 30 FEEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1)CCC2 ZINC000328805597 553825035 /nfs/dbraw/zinc/82/50/35/553825035.db2.gz LTODFDJLCGVIRI-NWDGAFQWSA-N 1 2 358.364 2.436 20 30 FEEDLO Cn1c[nH+]cc1CCC(=O)NC1CCC(C(=O)N2CCSCC2)CC1 ZINC000328818864 553827277 /nfs/dbraw/zinc/82/72/77/553827277.db2.gz HFGXTZGVRFMDEZ-UHFFFAOYSA-N 1 2 364.515 2.443 20 30 FEEDLO O=C(N[C@H](C[NH+]1CCOCC1)c1ccccc1)N[C@@H]1CCO[C@@H]1C1CC1 ZINC000328838031 553830870 /nfs/dbraw/zinc/83/08/70/553830870.db2.gz NOCIQRZXYSEQAH-GUDVDZBRSA-N 1 2 359.470 2.131 20 30 FEEDLO CC(=O)N[C@H](CC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1)c1cccs1 ZINC000328867015 553835910 /nfs/dbraw/zinc/83/59/10/553835910.db2.gz CBINNZTXLWZWAT-ILXRZTDVSA-N 1 2 351.472 2.087 20 30 FEEDLO CC(=O)N[C@H](CC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1)c1cccs1 ZINC000328867015 553835911 /nfs/dbraw/zinc/83/59/11/553835911.db2.gz CBINNZTXLWZWAT-ILXRZTDVSA-N 1 2 351.472 2.087 20 30 FEEDLO C[N@@H+]1CCN(S(=O)(=O)c2ccc(F)c(C#N)c2)C[C@@H]1Cc1ccccc1 ZINC000328887963 553839017 /nfs/dbraw/zinc/83/90/17/553839017.db2.gz PVHXANDXQINJNC-KRWDZBQOSA-N 1 2 373.453 2.245 20 30 FEEDLO C[N@H+]1CCN(S(=O)(=O)c2ccc(F)c(C#N)c2)C[C@@H]1Cc1ccccc1 ZINC000328887963 553839020 /nfs/dbraw/zinc/83/90/20/553839020.db2.gz PVHXANDXQINJNC-KRWDZBQOSA-N 1 2 373.453 2.245 20 30 FEEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)NCc3ccccc3OC3CCC3)C[C@@H]21 ZINC000328893605 553840433 /nfs/dbraw/zinc/84/04/33/553840433.db2.gz UMCTYLMZDMLLGI-PKOBYXMFSA-N 1 2 359.470 2.437 20 30 FEEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)NCc3ccccc3OC3CCC3)C[C@@H]21 ZINC000328893605 553840434 /nfs/dbraw/zinc/84/04/34/553840434.db2.gz UMCTYLMZDMLLGI-PKOBYXMFSA-N 1 2 359.470 2.437 20 30 FEEDLO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(Cc2nnc3n2CCCC3)CC1 ZINC000328976360 553856865 /nfs/dbraw/zinc/85/68/65/553856865.db2.gz BQGIAPTYGVFUIE-OAHLLOKOSA-N 1 2 360.506 2.020 20 30 FEEDLO Cn1nccc1[C@@H]1OCC[C@H]1C[N@@H+]1CCN(Cc2ccccc2)[C@@H](C#N)C1 ZINC000329006447 553863500 /nfs/dbraw/zinc/86/35/00/553863500.db2.gz XVQTWZLSRBWDOB-IRFCIJBXSA-N 1 2 365.481 2.208 20 30 FEEDLO Cn1nccc1[C@@H]1OCC[C@H]1C[N@H+]1CCN(Cc2ccccc2)[C@@H](C#N)C1 ZINC000329006447 553863501 /nfs/dbraw/zinc/86/35/01/553863501.db2.gz XVQTWZLSRBWDOB-IRFCIJBXSA-N 1 2 365.481 2.208 20 30 FEEDLO C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)N[C@@H]2CCC(C)(C)C2)CC1 ZINC000329028944 553866905 /nfs/dbraw/zinc/86/69/05/553866905.db2.gz AKRRJJQMBYBUBY-IAGOWNOFSA-N 1 2 364.534 2.498 20 30 FEEDLO C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@@H+]1CCO[C@]2(CCCOC2)C1 ZINC000329067522 553874491 /nfs/dbraw/zinc/87/44/91/553874491.db2.gz LZXCSRUYRLDSME-RVKKMQEKSA-N 1 2 353.463 2.317 20 30 FEEDLO C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@H+]1CCO[C@]2(CCCOC2)C1 ZINC000329067522 553874494 /nfs/dbraw/zinc/87/44/94/553874494.db2.gz LZXCSRUYRLDSME-RVKKMQEKSA-N 1 2 353.463 2.317 20 30 FEEDLO CO[C@H]1C[C@@H](C(N)=O)N(C(=O)N[C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)C1 ZINC000329116840 553883251 /nfs/dbraw/zinc/88/32/51/553883251.db2.gz ITKBCIWQUNEKTL-AVGNSLFASA-N 1 2 363.462 2.034 20 30 FEEDLO Cc1csc([C@H](C)CNC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)n1 ZINC000329199234 553900971 /nfs/dbraw/zinc/90/09/71/553900971.db2.gz AWQAJZLIDAKNHN-VHDGCEQUSA-N 1 2 352.504 2.264 20 30 FEEDLO CC1(C)CN(C(=O)C2CC2)CC[N@@H+]1CC(=O)NC[C@H]1Cc2ccccc2O1 ZINC000329249586 553910427 /nfs/dbraw/zinc/91/04/27/553910427.db2.gz XDMGLNDPWXDVMU-QGZVFWFLSA-N 1 2 371.481 2.279 20 30 FEEDLO CC1(C)CN(C(=O)C2CC2)CC[N@H+]1CC(=O)NC[C@H]1Cc2ccccc2O1 ZINC000329249586 553910428 /nfs/dbraw/zinc/91/04/28/553910428.db2.gz XDMGLNDPWXDVMU-QGZVFWFLSA-N 1 2 371.481 2.279 20 30 FEEDLO Cc1ccc2[nH+]c(CNC(=O)N3CC[C@H](C(=O)N4CCCC4)C3)cn2c1 ZINC000329256255 553912056 /nfs/dbraw/zinc/91/20/56/553912056.db2.gz XNCHXDHDAYDJKF-HNNXBMFYSA-N 1 2 355.442 2.001 20 30 FEEDLO CCO[C@@H]1C[C@](O)(CNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1(C)C ZINC000329312149 553923384 /nfs/dbraw/zinc/92/33/84/553923384.db2.gz GJOCSWDTUXLTII-MDZRGWNJSA-N 1 2 354.491 2.152 20 30 FEEDLO CCO[C@@H]1C[C@](O)(CNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1(C)C ZINC000329312149 553923387 /nfs/dbraw/zinc/92/33/87/553923387.db2.gz GJOCSWDTUXLTII-MDZRGWNJSA-N 1 2 354.491 2.152 20 30 FEEDLO O=C(N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000329339763 553928346 /nfs/dbraw/zinc/92/83/46/553928346.db2.gz NWRWRYIKDMWPKO-RYRKJORJSA-N 1 2 363.502 2.377 20 30 FEEDLO O=C(N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000329339763 553928348 /nfs/dbraw/zinc/92/83/48/553928348.db2.gz NWRWRYIKDMWPKO-RYRKJORJSA-N 1 2 363.502 2.377 20 30 FEEDLO Cc1cc[nH+]cc1N1CCN(C(=O)NC2CCN(C(=O)C(C)C)CC2)CC1 ZINC000329382445 553935242 /nfs/dbraw/zinc/93/52/42/553935242.db2.gz QSXCAECBHDRWRX-UHFFFAOYSA-N 1 2 373.501 2.073 20 30 FEEDLO O=C(NCCNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1)NC1CCCCC1 ZINC000329392377 553937962 /nfs/dbraw/zinc/93/79/62/553937962.db2.gz UDIGKGVMNDXSRT-KRWDZBQOSA-N 1 2 366.506 2.423 20 30 FEEDLO O=C(NCCNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1)NC1CCCCC1 ZINC000329392377 553937969 /nfs/dbraw/zinc/93/79/69/553937969.db2.gz UDIGKGVMNDXSRT-KRWDZBQOSA-N 1 2 366.506 2.423 20 30 FEEDLO CCN1CCOC[C@@H]1C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000329397233 553938463 /nfs/dbraw/zinc/93/84/63/553938463.db2.gz UWFYSSKIVWCLOO-RBUKOAKNSA-N 1 2 361.486 2.046 20 30 FEEDLO O=C(NCc1cc[nH+]c(N2CCOCC2)c1)N1CCC[C@@H]1C1CCOCC1 ZINC000329450137 553949184 /nfs/dbraw/zinc/94/91/84/553949184.db2.gz LJJFXZRGLLRGNK-GOSISDBHSA-N 1 2 374.485 2.223 20 30 FEEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)c1cccn3c(O)nnc13)C2 ZINC000329493768 553957225 /nfs/dbraw/zinc/95/72/25/553957225.db2.gz IEEQVEYJSHLNKW-NSHDSACASA-N 1 2 354.414 2.249 20 30 FEEDLO CC[C@@H]1C[C@H](C(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)CCO1 ZINC000329513316 553960063 /nfs/dbraw/zinc/96/00/63/553960063.db2.gz NTTOSSLFRISKTO-IAGOWNOFSA-N 1 2 351.491 2.092 20 30 FEEDLO Cn1nccc1-c1ccccc1C[N@H+](CCC#N)CCN1CCOCC1 ZINC000506805979 561709015 /nfs/dbraw/zinc/70/90/15/561709015.db2.gz MPTXYQKMHDGHIE-UHFFFAOYSA-N 1 2 353.470 2.135 20 30 FEEDLO Cn1nccc1-c1ccccc1C[N@@H+](CCC#N)CCN1CCOCC1 ZINC000506805979 561709017 /nfs/dbraw/zinc/70/90/17/561709017.db2.gz MPTXYQKMHDGHIE-UHFFFAOYSA-N 1 2 353.470 2.135 20 30 FEEDLO Cn1nccc1-c1ccccc1CN(CCC#N)CC[NH+]1CCOCC1 ZINC000506805979 561709018 /nfs/dbraw/zinc/70/90/18/561709018.db2.gz MPTXYQKMHDGHIE-UHFFFAOYSA-N 1 2 353.470 2.135 20 30 FEEDLO CC(C)Oc1c(F)cc(NC(=O)N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)cc1F ZINC000329552250 553966353 /nfs/dbraw/zinc/96/63/53/553966353.db2.gz JSHSWXODIWOPHC-GJZGRUSLSA-N 1 2 355.385 2.312 20 30 FEEDLO CC(C)Oc1c(F)cc(NC(=O)N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)cc1F ZINC000329552250 553966354 /nfs/dbraw/zinc/96/63/54/553966354.db2.gz JSHSWXODIWOPHC-GJZGRUSLSA-N 1 2 355.385 2.312 20 30 FEEDLO C[C@@H]1Oc2ccc(NC(=O)N3CC[C@@H]([NH+]4CCOCC4)C3)cc2NC1=O ZINC000329673460 553986772 /nfs/dbraw/zinc/98/67/72/553986772.db2.gz SVXPQEKKMBDGFW-GXTWGEPZSA-N 1 2 360.414 2.008 20 30 FEEDLO CC(C)C[C@@H]1C[C@@H](NC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)CCO1 ZINC000329679746 553987570 /nfs/dbraw/zinc/98/75/70/553987570.db2.gz WCGSNWDRRBBFSB-OKZBNKHCSA-N 1 2 353.507 2.291 20 30 FEEDLO Cn1cc[nH+]c1[C@@H](NC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1)C1CC1 ZINC000507389920 561728073 /nfs/dbraw/zinc/72/80/73/561728073.db2.gz DDFJCAMMRHLABS-AWEZNQCLSA-N 1 2 357.801 2.151 20 30 FEEDLO Cc1ccc(C(=O)N2CCSCC2)cc1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000329880215 554024143 /nfs/dbraw/zinc/02/41/43/554024143.db2.gz NHBXKMLRWGYLBN-MRXNPFEDSA-N 1 2 363.483 2.103 20 30 FEEDLO Cc1ccc(C(=O)N2CCSCC2)cc1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000329880215 554024145 /nfs/dbraw/zinc/02/41/45/554024145.db2.gz NHBXKMLRWGYLBN-MRXNPFEDSA-N 1 2 363.483 2.103 20 30 FEEDLO CC[C@@H]1OCCC[C@H]1C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000329899255 554027326 /nfs/dbraw/zinc/02/73/26/554027326.db2.gz MUOLQDXESRUEST-SJORKVTESA-N 1 2 374.485 2.282 20 30 FEEDLO [O-]C(NC[C@@H]1CCc2[nH+]ccn2C1)=[NH+][C@H]1CCOC2(CCSCC2)C1 ZINC000329905695 554028913 /nfs/dbraw/zinc/02/89/13/554028913.db2.gz RRZSXOJLSIBPAU-GJZGRUSLSA-N 1 2 364.515 2.394 20 30 FEEDLO [O-]C(N[C@H]1CCOC2(CCSCC2)C1)=[NH+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000329905695 554028915 /nfs/dbraw/zinc/02/89/15/554028915.db2.gz RRZSXOJLSIBPAU-GJZGRUSLSA-N 1 2 364.515 2.394 20 30 FEEDLO COc1cc2nc(C)sc2cc1NC(=O)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000329922543 554032116 /nfs/dbraw/zinc/03/21/16/554032116.db2.gz IARFHZTVOYEYSQ-ZFWWWQNUSA-N 1 2 362.455 2.174 20 30 FEEDLO COc1cc2nc(C)sc2cc1NC(=O)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000329922543 554032117 /nfs/dbraw/zinc/03/21/17/554032117.db2.gz IARFHZTVOYEYSQ-ZFWWWQNUSA-N 1 2 362.455 2.174 20 30 FEEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)Nc3ccc4c(c3)OC3(CCCC3)O4)C[C@H]21 ZINC000329947229 554036552 /nfs/dbraw/zinc/03/65/52/554036552.db2.gz YFUPTRCORYUKOA-PBHICJAKSA-N 1 2 359.426 2.288 20 30 FEEDLO C[N@H+]1CCO[C@H]2CN(C(=O)Nc3ccc4c(c3)OC3(CCCC3)O4)C[C@H]21 ZINC000329947229 554036553 /nfs/dbraw/zinc/03/65/53/554036553.db2.gz YFUPTRCORYUKOA-PBHICJAKSA-N 1 2 359.426 2.288 20 30 FEEDLO C[C@@H]1CN(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)C[C@@]2(CCOC2)O1 ZINC000329966628 554040310 /nfs/dbraw/zinc/04/03/10/554040310.db2.gz RXPLQVOLZYPYQU-DNVCBOLYSA-N 1 2 356.426 2.166 20 30 FEEDLO Cc1oncc1CN1C[C@@H](F)C[C@H]1CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000329976265 554042033 /nfs/dbraw/zinc/04/20/33/554042033.db2.gz FFIOFYWAKDWZAV-QRTARXTBSA-N 1 2 361.421 2.311 20 30 FEEDLO CC[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000329974171 554042299 /nfs/dbraw/zinc/04/22/99/554042299.db2.gz ZZRDFFLLWBEDIU-JONQDZQNSA-N 1 2 352.454 2.494 20 30 FEEDLO CCO[C@@H]1C[C@H](NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)C12CCOCC2 ZINC000329981044 554043444 /nfs/dbraw/zinc/04/34/44/554043444.db2.gz MONWFKICYWDIKT-JKSUJKDBSA-N 1 2 362.474 2.477 20 30 FEEDLO C[C@H](NC(=O)N1CCN(C)[C@H](c2[nH+]ccn2C)C1)c1ccc2c(c1)OCO2 ZINC000329984546 554043793 /nfs/dbraw/zinc/04/37/93/554043793.db2.gz CKDCEAKWDQXQDJ-ZFWWWQNUSA-N 1 2 371.441 2.113 20 30 FEEDLO CC[C@@H]1CCC[C@@H]1NC(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1 ZINC000329992798 554045634 /nfs/dbraw/zinc/04/56/34/554045634.db2.gz XWWWQPVIEXQDRI-QZWWFDLISA-N 1 2 351.470 2.415 20 30 FEEDLO CC[C@@H]1CCC[C@@H]1NC(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1 ZINC000329992798 554045636 /nfs/dbraw/zinc/04/56/36/554045636.db2.gz XWWWQPVIEXQDRI-QZWWFDLISA-N 1 2 351.470 2.415 20 30 FEEDLO C[C@@H]1C[N@H+](CC(=O)NCCOc2ccc(F)cc2)C[C@@]2(CCOC2)O1 ZINC000330146991 554073516 /nfs/dbraw/zinc/07/35/16/554073516.db2.gz IHUJFKKSUSYKFZ-RDTXWAMCSA-N 1 2 352.406 2.041 20 30 FEEDLO C[C@@H]1C[N@@H+](CC(=O)NCCOc2ccc(F)cc2)C[C@@]2(CCOC2)O1 ZINC000330146991 554073518 /nfs/dbraw/zinc/07/35/18/554073518.db2.gz IHUJFKKSUSYKFZ-RDTXWAMCSA-N 1 2 352.406 2.041 20 30 FEEDLO C[C@H]1OCC[N@H+](CC(=O)NC(=O)Nc2ccc3c(c2)OCCCO3)[C@@H]1C ZINC000330156383 554075658 /nfs/dbraw/zinc/07/56/58/554075658.db2.gz OQRUZHBGGKHODX-CHWSQXEVSA-N 1 2 363.414 2.459 20 30 FEEDLO C[C@H]1OCC[N@@H+](CC(=O)NC(=O)Nc2ccc3c(c2)OCCCO3)[C@@H]1C ZINC000330156383 554075661 /nfs/dbraw/zinc/07/56/61/554075661.db2.gz OQRUZHBGGKHODX-CHWSQXEVSA-N 1 2 363.414 2.459 20 30 FEEDLO C[C@H](NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C)c1nc(C(F)(F)F)cs1 ZINC000330246853 554092103 /nfs/dbraw/zinc/09/21/03/554092103.db2.gz YMIBZMNODYPILW-AEJSXWLSSA-N 1 2 364.393 2.152 20 30 FEEDLO C[C@H](NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C)c1nc(C(F)(F)F)cs1 ZINC000330246853 554092106 /nfs/dbraw/zinc/09/21/06/554092106.db2.gz YMIBZMNODYPILW-AEJSXWLSSA-N 1 2 364.393 2.152 20 30 FEEDLO O=C(NCc1ccc(N2CCCC2)[nH+]c1)N[C@@H]1CCOC2(CCOCC2)C1 ZINC000330250794 554092843 /nfs/dbraw/zinc/09/28/43/554092843.db2.gz HCJABYJQRPOZQG-QGZVFWFLSA-N 1 2 374.485 2.414 20 30 FEEDLO C[C@@H]1CN(c2ccc(CNC(=O)c3cc4n(n3)CCCO4)c[nH+]2)C[C@@H](C)O1 ZINC000330293172 554100981 /nfs/dbraw/zinc/10/09/81/554100981.db2.gz HOPUFKMOKBFHJL-ZIAGYGMSSA-N 1 2 371.441 2.179 20 30 FEEDLO CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000330376955 554113343 /nfs/dbraw/zinc/11/33/43/554113343.db2.gz PNTOHKPJJZINOV-HUUCEWRRSA-N 1 2 370.544 2.153 20 30 FEEDLO CC(C)C(=O)NC[C@H]1CCCN(C(=O)NCc2ccc[nH+]c2N(C)C)C1 ZINC000330452634 554123411 /nfs/dbraw/zinc/12/34/11/554123411.db2.gz UZMWEUATDMCLDR-OAHLLOKOSA-N 1 2 361.490 2.046 20 30 FEEDLO CC(C)NC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2noc(C(C)C)n2)C1 ZINC000330499653 554130024 /nfs/dbraw/zinc/13/00/24/554130024.db2.gz KDZFTQRQIDUFGT-QWHCGFSZSA-N 1 2 351.451 2.200 20 30 FEEDLO CC(C)NC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](c2noc(C(C)C)n2)C1 ZINC000330499653 554130027 /nfs/dbraw/zinc/13/00/27/554130027.db2.gz KDZFTQRQIDUFGT-QWHCGFSZSA-N 1 2 351.451 2.200 20 30 FEEDLO CSCC[C@@](C)(C#N)NS(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000508116145 561752418 /nfs/dbraw/zinc/75/24/18/561752418.db2.gz KNONTPDODADSQE-INIZCTEOSA-N 1 2 364.496 2.245 20 30 FEEDLO COc1cc(NC(=O)NC[C@@H]2C[N@H+](C)CCO2)cc(OC)c1C(C)C ZINC000330700713 554159724 /nfs/dbraw/zinc/15/97/24/554159724.db2.gz HEMFRPDYANLPSL-CQSZACIVSA-N 1 2 351.447 2.484 20 30 FEEDLO COc1cc(NC(=O)NC[C@@H]2C[N@@H+](C)CCO2)cc(OC)c1C(C)C ZINC000330700713 554159725 /nfs/dbraw/zinc/15/97/25/554159725.db2.gz HEMFRPDYANLPSL-CQSZACIVSA-N 1 2 351.447 2.484 20 30 FEEDLO CNC(=O)N[C@H]1CC[N@H+](CC(=O)c2cc(C)n(CC(F)(F)F)c2C)C1 ZINC000330951046 554192978 /nfs/dbraw/zinc/19/29/78/554192978.db2.gz PFADMQPPALFBBU-LBPRGKRZSA-N 1 2 360.380 2.058 20 30 FEEDLO CNC(=O)N[C@H]1CC[N@@H+](CC(=O)c2cc(C)n(CC(F)(F)F)c2C)C1 ZINC000330951046 554192980 /nfs/dbraw/zinc/19/29/80/554192980.db2.gz PFADMQPPALFBBU-LBPRGKRZSA-N 1 2 360.380 2.058 20 30 FEEDLO CC(=O)N[C@@H](C)C1CC[NH+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC1 ZINC000331121755 554216559 /nfs/dbraw/zinc/21/65/59/554216559.db2.gz NAWQBDKJOPFSJH-STQMWFEESA-N 1 2 360.458 2.332 20 30 FEEDLO Cc1cc(NC(=O)NCC(C)(C)[NH+]2CCOCC2)c(C#N)cc1N(C)C ZINC000331240317 554235516 /nfs/dbraw/zinc/23/55/16/554235516.db2.gz PMNVNAZAFRJWAU-UHFFFAOYSA-N 1 2 359.474 2.369 20 30 FEEDLO C=CCN(CCc1ccccc1)C(=O)C(=O)NCc1[nH+]ccn1CC(C)C ZINC000508801913 561773398 /nfs/dbraw/zinc/77/33/98/561773398.db2.gz JQDLNAJPKYOXGK-UHFFFAOYSA-N 1 2 368.481 2.413 20 30 FEEDLO CC[N@@H+]1CC[C@H](NS(=O)(=O)CCC#N)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000331305769 554244615 /nfs/dbraw/zinc/24/46/15/554244615.db2.gz GBAUVPBUZOWOKW-DZGCQCFKSA-N 1 2 361.389 2.072 20 30 FEEDLO CC[N@H+]1CC[C@H](NS(=O)(=O)CCC#N)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000331305769 554244617 /nfs/dbraw/zinc/24/46/17/554244617.db2.gz GBAUVPBUZOWOKW-DZGCQCFKSA-N 1 2 361.389 2.072 20 30 FEEDLO CC[N@@H+]1CC[C@H](NS(=O)(=O)CCC#N)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000331305772 554244838 /nfs/dbraw/zinc/24/48/38/554244838.db2.gz GBAUVPBUZOWOKW-ZFWWWQNUSA-N 1 2 361.389 2.072 20 30 FEEDLO CC[N@H+]1CC[C@H](NS(=O)(=O)CCC#N)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000331305772 554244840 /nfs/dbraw/zinc/24/48/40/554244840.db2.gz GBAUVPBUZOWOKW-ZFWWWQNUSA-N 1 2 361.389 2.072 20 30 FEEDLO C[C@H](CNS(=O)(=O)c1ccc(C#N)s1)[N@@H+]1CCc2sccc2C1 ZINC000331677117 554306677 /nfs/dbraw/zinc/30/66/77/554306677.db2.gz SYSPRRWGHKDSOQ-LLVKDONJSA-N 1 2 367.521 2.406 20 30 FEEDLO C[C@H](CNS(=O)(=O)c1ccc(C#N)s1)[N@H+]1CCc2sccc2C1 ZINC000331677117 554306678 /nfs/dbraw/zinc/30/66/78/554306678.db2.gz SYSPRRWGHKDSOQ-LLVKDONJSA-N 1 2 367.521 2.406 20 30 FEEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000331973855 554356049 /nfs/dbraw/zinc/35/60/49/554356049.db2.gz UUJYNCMJCJBPNF-WOJBJXKFSA-N 1 2 368.481 2.367 20 30 FEEDLO C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000332027431 554366287 /nfs/dbraw/zinc/36/62/87/554366287.db2.gz GYWVJXVCXWKWNA-VXNCWWDNSA-N 1 2 369.513 2.405 20 30 FEEDLO N#Cc1cccc(NCC(=O)NCc2ccccc2C[NH+]2CCOCC2)c1 ZINC000509987509 561821108 /nfs/dbraw/zinc/82/11/08/561821108.db2.gz RNIVAUYLJBKNOS-UHFFFAOYSA-N 1 2 364.449 2.119 20 30 FEEDLO Cn1cc[nH+]c1[C@H](NS(=O)(=O)c1cc(C#N)ccc1Cl)C1CC1 ZINC000510450638 561834909 /nfs/dbraw/zinc/83/49/09/561834909.db2.gz WQSMFGGPZOXQDO-CQSZACIVSA-N 1 2 350.831 2.375 20 30 FEEDLO C[C@@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)[NH+]1CCC(F)(C#N)CC1 ZINC000510901146 561849960 /nfs/dbraw/zinc/84/99/60/561849960.db2.gz HFSWKFSTZUMORO-HNNXBMFYSA-N 1 2 362.424 2.190 20 30 FEEDLO CCN(Cc1ccc2c(c1)OCCO2)C(=O)C[NH+]1CCC(F)(C#N)CC1 ZINC000510918919 561850781 /nfs/dbraw/zinc/85/07/81/561850781.db2.gz RIAGUTCEMCUBHB-UHFFFAOYSA-N 1 2 361.417 2.134 20 30 FEEDLO C[C@@H](C(=O)N(C)C[C@@H]1COc2ccccc2O1)[NH+]1CCC(F)(C#N)CC1 ZINC000510939076 561851590 /nfs/dbraw/zinc/85/15/90/561851590.db2.gz VZBXFCMBKSTZOI-LSDHHAIUSA-N 1 2 361.417 2.001 20 30 FEEDLO CC(=O)N1CC[N@H+](CC(=O)Nc2ccc(C#N)cc2)CC12CCCCC2 ZINC000363107899 555032349 /nfs/dbraw/zinc/03/23/49/555032349.db2.gz OBNSDDVJPDTLBC-UHFFFAOYSA-N 1 2 354.454 2.364 20 30 FEEDLO CC(=O)N1CC[N@@H+](CC(=O)Nc2ccc(C#N)cc2)CC12CCCCC2 ZINC000363107899 555032351 /nfs/dbraw/zinc/03/23/51/555032351.db2.gz OBNSDDVJPDTLBC-UHFFFAOYSA-N 1 2 354.454 2.364 20 30 FEEDLO C=CCNC(=O)NC(=O)C[N@@H+](C)[C@@H](c1cccc(F)c1)c1ccccn1 ZINC000363388080 555092306 /nfs/dbraw/zinc/09/23/06/555092306.db2.gz ORQRUXBZUVALQB-SFHVURJKSA-N 1 2 356.401 2.254 20 30 FEEDLO C=CCNC(=O)NC(=O)C[N@H+](C)[C@@H](c1cccc(F)c1)c1ccccn1 ZINC000363388080 555092309 /nfs/dbraw/zinc/09/23/09/555092309.db2.gz ORQRUXBZUVALQB-SFHVURJKSA-N 1 2 356.401 2.254 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)N2CC[NH+]([C@H]3CCSC3)CC2)c(Cl)c1 ZINC000364135096 555256645 /nfs/dbraw/zinc/25/66/45/555256645.db2.gz IWRXOPGLXGVQQR-ZDUSSCGKSA-N 1 2 371.915 2.023 20 30 FEEDLO COc1ccccc1[C@@H]1CN(C(=O)c2cc(C#N)cc(N(C)C)c2)CC[NH2+]1 ZINC000512723042 561913511 /nfs/dbraw/zinc/91/35/11/561913511.db2.gz NROMHLSDVNFILN-IBGZPJMESA-N 1 2 364.449 2.420 20 30 FEEDLO CCO[C@@H](C)c1noc(C[N@@H+]2CCCN(c3ccc(C)c(C#N)n3)CC2)n1 ZINC000364988179 555458645 /nfs/dbraw/zinc/45/86/45/555458645.db2.gz WXPRHWPSZYAYEI-HNNXBMFYSA-N 1 2 370.457 2.455 20 30 FEEDLO CCO[C@@H](C)c1noc(C[N@H+]2CCCN(c3ccc(C)c(C#N)n3)CC2)n1 ZINC000364988179 555458647 /nfs/dbraw/zinc/45/86/47/555458647.db2.gz WXPRHWPSZYAYEI-HNNXBMFYSA-N 1 2 370.457 2.455 20 30 FEEDLO C#Cc1ccccc1CC(=O)N1CCC[C@@H]([N@H+](C)Cc2noc(C)n2)CC1 ZINC000365626018 555625502 /nfs/dbraw/zinc/62/55/02/555625502.db2.gz PESPXUORFDDQNZ-LJQANCHMSA-N 1 2 366.465 2.415 20 30 FEEDLO C#Cc1ccccc1CC(=O)N1CCC[C@@H]([N@@H+](C)Cc2noc(C)n2)CC1 ZINC000365626018 555625503 /nfs/dbraw/zinc/62/55/03/555625503.db2.gz PESPXUORFDDQNZ-LJQANCHMSA-N 1 2 366.465 2.415 20 30 FEEDLO COc1ccccc1OCC[N@@H+]1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000513666176 561946200 /nfs/dbraw/zinc/94/62/00/561946200.db2.gz KHJDIRYRZVFIOP-QVKFZJNVSA-N 1 2 363.417 2.419 20 30 FEEDLO COc1ccccc1OCC[N@H+]1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000513666176 561946201 /nfs/dbraw/zinc/94/62/01/561946201.db2.gz KHJDIRYRZVFIOP-QVKFZJNVSA-N 1 2 363.417 2.419 20 30 FEEDLO Cc1nc(S(=O)(=O)N2CC[NH+](CC(C)(C)CCC#N)CC2)cs1 ZINC000513732885 561948070 /nfs/dbraw/zinc/94/80/70/561948070.db2.gz LHQXWDCGDWQWGH-UHFFFAOYSA-N 1 2 356.517 2.088 20 30 FEEDLO Cc1cc(C#N)ccc1S(=O)(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000366233363 555788088 /nfs/dbraw/zinc/78/80/88/555788088.db2.gz PVKKZJMJQSXAPT-MRXNPFEDSA-N 1 2 358.467 2.244 20 30 FEEDLO C=CCn1c(C)cc(C(=O)C[NH+]2CCC(n3cnc(C#N)n3)CC2)c1C ZINC000366342115 555816173 /nfs/dbraw/zinc/81/61/73/555816173.db2.gz VXRMNGPWNMRGHV-UHFFFAOYSA-N 1 2 352.442 2.274 20 30 FEEDLO CC[C@H]1C[N@H+](CC(=O)N(CCC#N)c2ccccc2)C[C@@]2(CCOC2)O1 ZINC000366591173 555884955 /nfs/dbraw/zinc/88/49/55/555884955.db2.gz NDLLHPGNNZDLNY-AZUAARDMSA-N 1 2 357.454 2.203 20 30 FEEDLO CC[C@H]1C[N@@H+](CC(=O)N(CCC#N)c2ccccc2)C[C@@]2(CCOC2)O1 ZINC000366591173 555884958 /nfs/dbraw/zinc/88/49/58/555884958.db2.gz NDLLHPGNNZDLNY-AZUAARDMSA-N 1 2 357.454 2.203 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N2CCC[C@@H]2c2ccc(OC)cc2)C1=O ZINC000366916695 555969356 /nfs/dbraw/zinc/96/93/56/555969356.db2.gz XUHVVFPLMJGWFT-MOPGFXCFSA-N 1 2 371.481 2.077 20 30 FEEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N2CCC[C@@H]2c2ccc(OC)cc2)C1=O ZINC000366916695 555969360 /nfs/dbraw/zinc/96/93/60/555969360.db2.gz XUHVVFPLMJGWFT-MOPGFXCFSA-N 1 2 371.481 2.077 20 30 FEEDLO C[C@@H](C(=O)N1CCc2ccccc21)[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000515161995 561998705 /nfs/dbraw/zinc/99/87/05/561998705.db2.gz AMSPWZKCALTXEI-INIZCTEOSA-N 1 2 361.449 2.053 20 30 FEEDLO C=CCNC(=O)NC(=O)C[NH2+][C@H](C)c1nnc(-c2cccc(F)c2)s1 ZINC000368372296 556290299 /nfs/dbraw/zinc/29/02/99/556290299.db2.gz WPBMFSIQQAGJBW-SNVBAGLBSA-N 1 2 363.418 2.007 20 30 FEEDLO Cc1cc(N2CCC(NC(=O)C3(c4ccc(C#N)cc4)CC3)CC2)nc[nH+]1 ZINC000368836585 556425761 /nfs/dbraw/zinc/42/57/61/556425761.db2.gz ZBSPTATWMDBRDM-UHFFFAOYSA-N 1 2 361.449 2.474 20 30 FEEDLO Cc1oc(NC(=O)C[N@@H+]2CCC[C@@H](C(=O)N3CCCCC3)C2)c(C#N)c1C ZINC000369386057 556586716 /nfs/dbraw/zinc/58/67/16/556586716.db2.gz OGQMLXPBOQZOPE-MRXNPFEDSA-N 1 2 372.469 2.431 20 30 FEEDLO Cc1oc(NC(=O)C[N@H+]2CCC[C@@H](C(=O)N3CCCCC3)C2)c(C#N)c1C ZINC000369386057 556586718 /nfs/dbraw/zinc/58/67/18/556586718.db2.gz OGQMLXPBOQZOPE-MRXNPFEDSA-N 1 2 372.469 2.431 20 30 FEEDLO COc1ccc(C[N@@H+]2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)cc1C#N ZINC000369520830 556619089 /nfs/dbraw/zinc/61/90/89/556619089.db2.gz RPISFOQXVITKPW-KKSFZXQISA-N 1 2 358.401 2.412 20 30 FEEDLO COc1ccc(C[N@H+]2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)cc1C#N ZINC000369520830 556619090 /nfs/dbraw/zinc/61/90/90/556619090.db2.gz RPISFOQXVITKPW-KKSFZXQISA-N 1 2 358.401 2.412 20 30 FEEDLO CNC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1CCOc1ccc(C#N)cc1OC ZINC000369585910 556639500 /nfs/dbraw/zinc/63/95/00/556639500.db2.gz VGIKHKXLSFJDAU-SFHVURJKSA-N 1 2 365.433 2.119 20 30 FEEDLO CNC(=O)[C@@H]1Cc2ccccc2C[N@H+]1CCOc1ccc(C#N)cc1OC ZINC000369585910 556639503 /nfs/dbraw/zinc/63/95/03/556639503.db2.gz VGIKHKXLSFJDAU-SFHVURJKSA-N 1 2 365.433 2.119 20 30 FEEDLO COC[C@@H](C(N)=O)[N@H+](C)CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000517044093 562073174 /nfs/dbraw/zinc/07/31/74/562073174.db2.gz JDOASRCNXSOGDM-IBGZPJMESA-N 1 2 351.450 2.318 20 30 FEEDLO COC[C@@H](C(N)=O)[N@@H+](C)CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000517044093 562073175 /nfs/dbraw/zinc/07/31/75/562073175.db2.gz JDOASRCNXSOGDM-IBGZPJMESA-N 1 2 351.450 2.318 20 30 FEEDLO CN(C1CCN(c2cccc[nH+]2)CC1)S(=O)(=O)c1ccccc1C#N ZINC000371014884 557045733 /nfs/dbraw/zinc/04/57/33/557045733.db2.gz DGMYAUQMIYSAQM-UHFFFAOYSA-N 1 2 356.451 2.243 20 30 FEEDLO C=C[C@@H](CC(=O)NC[C@@]1([NH+]2CCOCC2)CCCOC1)c1ccccc1 ZINC000371301190 557137038 /nfs/dbraw/zinc/13/70/38/557137038.db2.gz SQKISGFEDWVJTO-RXVVDRJESA-N 1 2 358.482 2.344 20 30 FEEDLO N#Cc1cccc([C@@H]2CN(C(=O)c3ccnc(-n4cc[nH+]c4)c3)CCO2)c1 ZINC000371358937 557159340 /nfs/dbraw/zinc/15/93/40/557159340.db2.gz FLHGLGUTLGSBDH-SFHVURJKSA-N 1 2 359.389 2.353 20 30 FEEDLO CCOC(=O)c1ccc(C[N@@H+]2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)o1 ZINC000371470510 557190758 /nfs/dbraw/zinc/19/07/58/557190758.db2.gz LYBZEGOAPFPZSD-ZUOKHONESA-N 1 2 365.389 2.302 20 30 FEEDLO CCOC(=O)c1ccc(C[N@H+]2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)o1 ZINC000371470510 557190759 /nfs/dbraw/zinc/19/07/59/557190759.db2.gz LYBZEGOAPFPZSD-ZUOKHONESA-N 1 2 365.389 2.302 20 30 FEEDLO CCO[C@H](C)c1noc(C[N@@H+]2CCCN(c3nc(C)ccc3C#N)CC2)n1 ZINC000372318789 557438287 /nfs/dbraw/zinc/43/82/87/557438287.db2.gz OLCCGUODDATDOE-OAHLLOKOSA-N 1 2 370.457 2.455 20 30 FEEDLO CCO[C@H](C)c1noc(C[N@H+]2CCCN(c3nc(C)ccc3C#N)CC2)n1 ZINC000372318789 557438288 /nfs/dbraw/zinc/43/82/88/557438288.db2.gz OLCCGUODDATDOE-OAHLLOKOSA-N 1 2 370.457 2.455 20 30 FEEDLO C=CCC[C@H](C(=O)N1CCC[N@@H+](CC(=O)N(C)C)CC1)c1ccccc1 ZINC000372358613 557449439 /nfs/dbraw/zinc/44/94/39/557449439.db2.gz NRYBCKPIOSKMMV-IBGZPJMESA-N 1 2 357.498 2.359 20 30 FEEDLO C=CCC[C@H](C(=O)N1CCC[N@H+](CC(=O)N(C)C)CC1)c1ccccc1 ZINC000372358613 557449441 /nfs/dbraw/zinc/44/94/41/557449441.db2.gz NRYBCKPIOSKMMV-IBGZPJMESA-N 1 2 357.498 2.359 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@]3(CNC(=O)O3)C2)c1 ZINC000372616530 557522249 /nfs/dbraw/zinc/52/22/49/557522249.db2.gz DTHZXPUFENJUGD-HXUWFJFHSA-N 1 2 370.453 2.125 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@]3(CNC(=O)O3)C2)c1 ZINC000372616530 557522251 /nfs/dbraw/zinc/52/22/51/557522251.db2.gz DTHZXPUFENJUGD-HXUWFJFHSA-N 1 2 370.453 2.125 20 30 FEEDLO N#Cc1ncn(C2CC[NH+](CC(=O)Nc3cc(Cl)ccc3F)CC2)n1 ZINC000373398160 557686768 /nfs/dbraw/zinc/68/67/68/557686768.db2.gz FEJYHUSJAMIUJF-UHFFFAOYSA-N 1 2 362.796 2.218 20 30 FEEDLO CC(=O)c1ccccc1NC(=O)[C@H](C)[NH+]1CCC(n2cnc(C#N)n2)CC1 ZINC000373398093 557686836 /nfs/dbraw/zinc/68/68/36/557686836.db2.gz DSAHXVKXERJTEC-ZDUSSCGKSA-N 1 2 366.425 2.016 20 30 FEEDLO N#Cc1ccc(C[N@@H+]2CCCNC(=O)[C@H]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000520235299 562151459 /nfs/dbraw/zinc/15/14/59/562151459.db2.gz WWJGLUCZSNXKBI-LJQANCHMSA-N 1 2 364.405 2.400 20 30 FEEDLO N#Cc1ccc(C[N@H+]2CCCNC(=O)[C@H]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000520235299 562151460 /nfs/dbraw/zinc/15/14/60/562151460.db2.gz WWJGLUCZSNXKBI-LJQANCHMSA-N 1 2 364.405 2.400 20 30 FEEDLO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000520412947 562155957 /nfs/dbraw/zinc/15/59/57/562155957.db2.gz GQTFUHVBZPLKQT-CZUORRHYSA-N 1 2 370.906 2.116 20 30 FEEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](c2nnc[nH]2)C1 ZINC000374051495 557814293 /nfs/dbraw/zinc/81/42/93/557814293.db2.gz RMHCFORMYLQRMG-CYBMUJFWSA-N 1 2 356.455 2.238 20 30 FEEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](c2nnc[nH]2)C1 ZINC000374051495 557814294 /nfs/dbraw/zinc/81/42/94/557814294.db2.gz RMHCFORMYLQRMG-CYBMUJFWSA-N 1 2 356.455 2.238 20 30 FEEDLO C=CC[N@H+](Cc1nnc(C2CC2)n1C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000520939364 562166244 /nfs/dbraw/zinc/16/62/44/562166244.db2.gz SZHFDIDQKDEGDK-CQSZACIVSA-N 1 2 364.457 2.417 20 30 FEEDLO C=CC[N@@H+](Cc1nnc(C2CC2)n1C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000520939364 562166245 /nfs/dbraw/zinc/16/62/45/562166245.db2.gz SZHFDIDQKDEGDK-CQSZACIVSA-N 1 2 364.457 2.417 20 30 FEEDLO COc1cc(C#N)ccc1OCCCC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000374360405 557871700 /nfs/dbraw/zinc/87/17/00/557871700.db2.gz PHPUZNWGYNWMEK-MRXNPFEDSA-N 1 2 368.437 2.475 20 30 FEEDLO COc1ccc(OCC[N@@H+]2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)cc1 ZINC000374387777 557876723 /nfs/dbraw/zinc/87/67/23/557876723.db2.gz QWZNABKTRXXOBC-YCRPNKLZSA-N 1 2 363.417 2.419 20 30 FEEDLO COc1ccc(OCC[N@H+]2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)cc1 ZINC000374387777 557876724 /nfs/dbraw/zinc/87/67/24/557876724.db2.gz QWZNABKTRXXOBC-YCRPNKLZSA-N 1 2 363.417 2.419 20 30 FEEDLO COc1ccc(OCC[N@@H+]2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)cc1 ZINC000374387774 557876777 /nfs/dbraw/zinc/87/67/77/557876777.db2.gz QWZNABKTRXXOBC-BTYIYWSLSA-N 1 2 363.417 2.419 20 30 FEEDLO COc1ccc(OCC[N@H+]2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)cc1 ZINC000374387774 557876780 /nfs/dbraw/zinc/87/67/80/557876780.db2.gz QWZNABKTRXXOBC-BTYIYWSLSA-N 1 2 363.417 2.419 20 30 FEEDLO CN(C)c1noc([C@@H]2CCC[N@@H+]2CCC(=O)Nc2sccc2C#N)n1 ZINC000374537918 557896887 /nfs/dbraw/zinc/89/68/87/557896887.db2.gz OZFURTADVGEYGD-LBPRGKRZSA-N 1 2 360.443 2.234 20 30 FEEDLO CN(C)c1noc([C@@H]2CCC[N@H+]2CCC(=O)Nc2sccc2C#N)n1 ZINC000374537918 557896888 /nfs/dbraw/zinc/89/68/88/557896888.db2.gz OZFURTADVGEYGD-LBPRGKRZSA-N 1 2 360.443 2.234 20 30 FEEDLO CCn1cc(C[N@@H+]2CCCN(C(=O)c3ccc(C#N)c(Cl)n3)CC2)cn1 ZINC000375089945 557975987 /nfs/dbraw/zinc/97/59/87/557975987.db2.gz JTZRJYSYNPEQAG-UHFFFAOYSA-N 1 2 372.860 2.171 20 30 FEEDLO CCn1cc(C[N@H+]2CCCN(C(=O)c3ccc(C#N)c(Cl)n3)CC2)cn1 ZINC000375089945 557975989 /nfs/dbraw/zinc/97/59/89/557975989.db2.gz JTZRJYSYNPEQAG-UHFFFAOYSA-N 1 2 372.860 2.171 20 30 FEEDLO CC#CCCCC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000376188151 558138377 /nfs/dbraw/zinc/13/83/77/558138377.db2.gz OJHWGYFXZHTBAJ-QGZVFWFLSA-N 1 2 363.502 2.334 20 30 FEEDLO Cc1cc(C#N)cc(N2CC[C@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)n1 ZINC000376195915 558139602 /nfs/dbraw/zinc/13/96/02/558139602.db2.gz DXWHNILPTITYRA-KRWDZBQOSA-N 1 2 371.485 2.393 20 30 FEEDLO C=CCOCCCC(=O)N1CCC[C@@H]([N@H+](C)Cc2noc(C)n2)CC1 ZINC000376245784 558147276 /nfs/dbraw/zinc/14/72/76/558147276.db2.gz USNWZOOYLHTSFU-MRXNPFEDSA-N 1 2 350.463 2.174 20 30 FEEDLO C=CCOCCCC(=O)N1CCC[C@@H]([N@@H+](C)Cc2noc(C)n2)CC1 ZINC000376245784 558147278 /nfs/dbraw/zinc/14/72/78/558147278.db2.gz USNWZOOYLHTSFU-MRXNPFEDSA-N 1 2 350.463 2.174 20 30 FEEDLO CCN1CCN(c2nc3cc(Cl)ccn3c2C#N)C[C@@H]1c1[nH]cc[nH+]1 ZINC000376464867 558176665 /nfs/dbraw/zinc/17/66/65/558176665.db2.gz UXFPLPCWQDUJDK-CQSZACIVSA-N 1 2 355.833 2.466 20 30 FEEDLO COC(=O)c1ccccc1C[N@@H+]1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000376645287 558202443 /nfs/dbraw/zinc/20/24/43/558202443.db2.gz UJEFMFLOORURFR-YCRPNKLZSA-N 1 2 361.401 2.319 20 30 FEEDLO COC(=O)c1ccccc1C[N@H+]1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000376645287 558202444 /nfs/dbraw/zinc/20/24/44/558202444.db2.gz UJEFMFLOORURFR-YCRPNKLZSA-N 1 2 361.401 2.319 20 30 FEEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000376780657 558220713 /nfs/dbraw/zinc/22/07/13/558220713.db2.gz WADMMISOPZQESF-BHIYHBOVSA-N 1 2 356.470 2.188 20 30 FEEDLO C=CCNC(=O)NC(=O)C[NH2+][C@H](C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000376837374 558227927 /nfs/dbraw/zinc/22/79/27/558227927.db2.gz VPODXIOMNVRQDX-SNVBAGLBSA-N 1 2 363.805 2.052 20 30 FEEDLO Cc1sc(NC(=O)C[N@@H+]2CCOC3(CCOCC3)CC2)c(C#N)c1C ZINC000377239200 558296239 /nfs/dbraw/zinc/29/62/39/558296239.db2.gz MDYLJTCGEBIOOW-UHFFFAOYSA-N 1 2 363.483 2.447 20 30 FEEDLO Cc1sc(NC(=O)C[N@H+]2CCOC3(CCOCC3)CC2)c(C#N)c1C ZINC000377239200 558296241 /nfs/dbraw/zinc/29/62/41/558296241.db2.gz MDYLJTCGEBIOOW-UHFFFAOYSA-N 1 2 363.483 2.447 20 30 FEEDLO CCn1cc[nH+]c1[C@@H](NS(=O)(=O)CCC(C)(C)C#N)C1CCOCC1 ZINC000377839072 558432482 /nfs/dbraw/zinc/43/24/82/558432482.db2.gz FYYIFCWXRDKKPZ-HNNXBMFYSA-N 1 2 368.503 2.230 20 30 FEEDLO COC(=O)C[C@H]1COCC[N@@H+]1Cc1ccc(OC)c(OCCCC#N)c1 ZINC000377870551 558438272 /nfs/dbraw/zinc/43/82/72/558438272.db2.gz VJNZABGCIXTVSL-INIZCTEOSA-N 1 2 362.426 2.142 20 30 FEEDLO COC(=O)C[C@H]1COCC[N@H+]1Cc1ccc(OC)c(OCCCC#N)c1 ZINC000377870551 558438273 /nfs/dbraw/zinc/43/82/73/558438273.db2.gz VJNZABGCIXTVSL-INIZCTEOSA-N 1 2 362.426 2.142 20 30 FEEDLO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCN(c3cccnc3C#N)CC2)C1 ZINC000377979164 558456944 /nfs/dbraw/zinc/45/69/44/558456944.db2.gz VJPGEXVDRBABKD-OAHLLOKOSA-N 1 2 357.458 2.085 20 30 FEEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCOC[C@H]1c1c(C)n[nH]c1C ZINC000378328189 558530959 /nfs/dbraw/zinc/53/09/59/558530959.db2.gz BDKLQCFNCLPPMM-INIZCTEOSA-N 1 2 356.426 2.359 20 30 FEEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCOC[C@H]1c1c(C)n[nH]c1C ZINC000378328189 558530963 /nfs/dbraw/zinc/53/09/63/558530963.db2.gz BDKLQCFNCLPPMM-INIZCTEOSA-N 1 2 356.426 2.359 20 30 FEEDLO C=C(C)COc1cccc(NC(=O)C(=O)NCCNc2cccc[nH+]2)c1 ZINC000524239574 562225865 /nfs/dbraw/zinc/22/58/65/562225865.db2.gz WIXXLHSKNUFCHJ-UHFFFAOYSA-N 1 2 354.410 2.203 20 30 FEEDLO N#Cc1cnn(-c2ccc(C(=O)N3CCC(c4[nH]cc[nH+]4)CC3)cc2)c1N ZINC000524296960 562226708 /nfs/dbraw/zinc/22/67/08/562226708.db2.gz XTQXDYSGFAINIK-UHFFFAOYSA-N 1 2 361.409 2.069 20 30 FEEDLO CS(=O)(=O)c1ccc(CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)o1 ZINC000411131028 558842392 /nfs/dbraw/zinc/84/23/92/558842392.db2.gz XAYIMQOGDVNNHX-UHFFFAOYSA-N 1 2 373.478 2.263 20 30 FEEDLO CS(=O)(=O)c1ccc(CN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)o1 ZINC000411131028 558842394 /nfs/dbraw/zinc/84/23/94/558842394.db2.gz XAYIMQOGDVNNHX-UHFFFAOYSA-N 1 2 373.478 2.263 20 30 FEEDLO Cc1cc(C)c(NC(=O)C(=O)N2CC(Oc3ccc(C#N)cc3)C2)c(C)[nH+]1 ZINC000411451229 558897077 /nfs/dbraw/zinc/89/70/77/558897077.db2.gz ZDAFLOUFLWVPPC-UHFFFAOYSA-N 1 2 364.405 2.107 20 30 FEEDLO Cn1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CNC(=O)Nc2ccc(F)c(C#N)c2)cn1 ZINC000525831783 562256736 /nfs/dbraw/zinc/25/67/36/562256736.db2.gz VEZQLQSFXKPQKG-HOCLYGCPSA-N 1 2 374.395 2.165 20 30 FEEDLO Cn1cc(C[N@H+]2C[C@@H](F)C[C@H]2CNC(=O)Nc2ccc(F)c(C#N)c2)cn1 ZINC000525831783 562256737 /nfs/dbraw/zinc/25/67/37/562256737.db2.gz VEZQLQSFXKPQKG-HOCLYGCPSA-N 1 2 374.395 2.165 20 30 FEEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000413827125 559133113 /nfs/dbraw/zinc/13/31/13/559133113.db2.gz RGDOGDRVTWPPBN-FQEVSTJZSA-N 1 2 367.497 2.435 20 30 FEEDLO C[N@H+](CCC#N)C[C@H](O)CSc1n[nH]c(-c2ccc(Cl)cc2)n1 ZINC000414103006 559149389 /nfs/dbraw/zinc/14/93/89/559149389.db2.gz WHMSMNAKAJFRAN-ZDUSSCGKSA-N 1 2 351.863 2.424 20 30 FEEDLO C[N@@H+](CCC#N)C[C@H](O)CSc1n[nH]c(-c2ccc(Cl)cc2)n1 ZINC000414103006 559149390 /nfs/dbraw/zinc/14/93/90/559149390.db2.gz WHMSMNAKAJFRAN-ZDUSSCGKSA-N 1 2 351.863 2.424 20 30 FEEDLO Cc1cccc(OCc2nnc(SC[C@H](O)C[N@H+](C)CCC#N)o2)c1 ZINC000414135320 559150294 /nfs/dbraw/zinc/15/02/94/559150294.db2.gz HEMNENLOGBOALI-CQSZACIVSA-N 1 2 362.455 2.256 20 30 FEEDLO Cc1cccc(OCc2nnc(SC[C@H](O)C[N@@H+](C)CCC#N)o2)c1 ZINC000414135320 559150295 /nfs/dbraw/zinc/15/02/95/559150295.db2.gz HEMNENLOGBOALI-CQSZACIVSA-N 1 2 362.455 2.256 20 30 FEEDLO C=C(C)Cn1c(SC[C@@H](O)C[N@H+](C)CCC#N)nnc1-c1ccncc1 ZINC000414165253 559151190 /nfs/dbraw/zinc/15/11/90/559151190.db2.gz PEOAQETYIMCTHT-INIZCTEOSA-N 1 2 372.498 2.215 20 30 FEEDLO C=C(C)Cn1c(SC[C@@H](O)C[N@@H+](C)CCC#N)nnc1-c1ccncc1 ZINC000414165253 559151191 /nfs/dbraw/zinc/15/11/91/559151191.db2.gz PEOAQETYIMCTHT-INIZCTEOSA-N 1 2 372.498 2.215 20 30 FEEDLO CC[N@@H+]1CC[C@H](NS(=O)(=O)[C@@H](C)C#N)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000416460091 559314608 /nfs/dbraw/zinc/31/46/08/559314608.db2.gz UOCBMMIZCDMOQW-FGEZKYSXSA-N 1 2 361.389 2.071 20 30 FEEDLO CC[N@H+]1CC[C@H](NS(=O)(=O)[C@@H](C)C#N)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000416460091 559314609 /nfs/dbraw/zinc/31/46/09/559314609.db2.gz UOCBMMIZCDMOQW-FGEZKYSXSA-N 1 2 361.389 2.071 20 30 FEEDLO CC1(C)C[N@H+](CCNC(=O)N[C@@H]2CCCc3cc(C#N)ccc32)CCO1 ZINC000416687151 559329669 /nfs/dbraw/zinc/32/96/69/559329669.db2.gz ODPLSWGIPQMELK-GOSISDBHSA-N 1 2 356.470 2.346 20 30 FEEDLO CC1(C)C[N@@H+](CCNC(=O)N[C@@H]2CCCc3cc(C#N)ccc32)CCO1 ZINC000416687151 559329670 /nfs/dbraw/zinc/32/96/70/559329670.db2.gz ODPLSWGIPQMELK-GOSISDBHSA-N 1 2 356.470 2.346 20 30 FEEDLO N#Cc1cncc(N2CC[NH+](Cc3ccc(Br)cc3)CC2)n1 ZINC000420601196 559493614 /nfs/dbraw/zinc/49/36/14/559493614.db2.gz NHTRSFRAHWPZID-UHFFFAOYSA-N 1 2 358.243 2.433 20 30 FEEDLO CC(=O)N[C@H]1CC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)C1 ZINC000420992542 559518353 /nfs/dbraw/zinc/51/83/53/559518353.db2.gz YFGNPOUJUJCRIR-INIZCTEOSA-N 1 2 371.485 2.241 20 30 FEEDLO CC(=O)N[C@H]1CC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)C1 ZINC000420992542 559518354 /nfs/dbraw/zinc/51/83/54/559518354.db2.gz YFGNPOUJUJCRIR-INIZCTEOSA-N 1 2 371.485 2.241 20 30 FEEDLO N#CCNC(=O)C[N@H+]1CCCC[C@H]1Cc1cccc(Br)c1 ZINC000421043217 559521639 /nfs/dbraw/zinc/52/16/39/559521639.db2.gz QDXRRNLWBGCPEK-HNNXBMFYSA-N 1 2 350.260 2.486 20 30 FEEDLO N#CCNC(=O)C[N@@H+]1CCCC[C@H]1Cc1cccc(Br)c1 ZINC000421043217 559521640 /nfs/dbraw/zinc/52/16/40/559521640.db2.gz QDXRRNLWBGCPEK-HNNXBMFYSA-N 1 2 350.260 2.486 20 30 FEEDLO Cc1cc(CNC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)cc(C)[nH+]1 ZINC000421576473 559545666 /nfs/dbraw/zinc/54/56/66/559545666.db2.gz MRWBWPJIZQLXKP-UHFFFAOYSA-N 1 2 362.437 2.479 20 30 FEEDLO C=CCCn1cc(C(=O)N(C)Cc2[nH+]ccn2Cc2ccccc2)nn1 ZINC000424684401 559673602 /nfs/dbraw/zinc/67/36/02/559673602.db2.gz GOOVLJJVVXROKX-UHFFFAOYSA-N 1 2 350.426 2.371 20 30 FEEDLO C=CCn1cc(CNC(=O)CCn2c3ccccc3[nH+]c2CCC)nn1 ZINC000424910298 559679807 /nfs/dbraw/zinc/67/98/07/559679807.db2.gz YLFWWFSPLTZJKI-UHFFFAOYSA-N 1 2 352.442 2.473 20 30 FEEDLO C=C(C)C(C)(C)C(=O)Nc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1 ZINC000425417975 559701213 /nfs/dbraw/zinc/70/12/13/559701213.db2.gz IFWVXMAACUOBLG-UHFFFAOYSA-N 1 2 365.499 2.164 20 30 FEEDLO C[C@@H]1CCC[N@H+](CC(=O)N(CCC#N)CCC#N)[C@H]1C(=O)OC(C)(C)C ZINC000425524651 559707809 /nfs/dbraw/zinc/70/78/09/559707809.db2.gz RJPIILJJVJGKIQ-NVXWUHKLSA-N 1 2 362.474 2.085 20 30 FEEDLO C[C@@H]1CCC[N@@H+](CC(=O)N(CCC#N)CCC#N)[C@H]1C(=O)OC(C)(C)C ZINC000425524651 559707810 /nfs/dbraw/zinc/70/78/10/559707810.db2.gz RJPIILJJVJGKIQ-NVXWUHKLSA-N 1 2 362.474 2.085 20 30 FEEDLO Cc1nc(C[N@@H+](C)[C@H]2CCCN(C(=O)N[C@@H]3CC[C@H](C#N)C3)CC2)no1 ZINC000425610212 559711567 /nfs/dbraw/zinc/71/15/67/559711567.db2.gz LMNDVHHEKSBSNY-XHSDSOJGSA-N 1 2 360.462 2.066 20 30 FEEDLO Cc1nc(C[N@H+](C)[C@H]2CCCN(C(=O)N[C@@H]3CC[C@H](C#N)C3)CC2)no1 ZINC000425610212 559711568 /nfs/dbraw/zinc/71/15/68/559711568.db2.gz LMNDVHHEKSBSNY-XHSDSOJGSA-N 1 2 360.462 2.066 20 30 FEEDLO C=CCn1cc(CNC(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)nn1 ZINC000425661468 559713570 /nfs/dbraw/zinc/71/35/70/559713570.db2.gz YSVKSZRTBHYJEM-HNNXBMFYSA-N 1 2 370.457 2.179 20 30 FEEDLO C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(Cc2cccc(F)c2C#N)CC1 ZINC000428464280 559775934 /nfs/dbraw/zinc/77/59/34/559775934.db2.gz PKNHGXJCIKNVFN-MRXNPFEDSA-N 1 2 358.461 2.216 20 30 FEEDLO C[C@@H]1C[C@@H](C)CN(C(=O)C[NH+]2CCN(Cc3cccc(F)c3C#N)CC2)C1 ZINC000428480126 559776320 /nfs/dbraw/zinc/77/63/20/559776320.db2.gz BKPAWJYCZACCGR-IAGOWNOFSA-N 1 2 372.488 2.319 20 30 FEEDLO C[C@H](c1ccccc1)[C@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)C(N)=O ZINC000428858154 559784908 /nfs/dbraw/zinc/78/49/08/559784908.db2.gz VQBMHOQGMILQEY-ACJLOTCBSA-N 1 2 361.405 2.355 20 30 FEEDLO Cc1ccc([C@@H](CNC(=O)NCC2(CC#N)CC2)[NH+]2CCOCC2)cc1 ZINC000430424668 559819829 /nfs/dbraw/zinc/81/98/29/559819829.db2.gz IWVNEDXBIXFSFU-GOSISDBHSA-N 1 2 356.470 2.361 20 30 FEEDLO C=CCN1C(=O)N([C@H](C)[C@H](C)[NH+]2CCOCC2)C(=O)[C@@H]1Cc1ccccc1 ZINC000431401628 559838640 /nfs/dbraw/zinc/83/86/40/559838640.db2.gz OZRIRPHWKJRLNX-SCTDSRPQSA-N 1 2 371.481 2.157 20 30 FEEDLO N#CCCC[C@H](NS(=O)(=O)CCC[NH+]1CCOCC1)c1ccccc1 ZINC000431628567 559842821 /nfs/dbraw/zinc/84/28/21/559842821.db2.gz RDEQSQTXKRWURL-SFHVURJKSA-N 1 2 365.499 2.063 20 30 FEEDLO COc1cc(OC)cc([C@@H](NC(=O)c2ccc(C#N)o2)c2[nH+]ccn2C)c1 ZINC000431758814 559845423 /nfs/dbraw/zinc/84/54/23/559845423.db2.gz RRUSPAQBZHMXAT-QGZVFWFLSA-N 1 2 366.377 2.421 20 30 FEEDLO CC(C)N(CCC#N)C(=O)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000527353828 562286311 /nfs/dbraw/zinc/28/63/11/562286311.db2.gz HOTWRFOTSSRKEV-INIZCTEOSA-N 1 2 372.469 2.169 20 30 FEEDLO N#Cc1cscc1C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000432779374 559864544 /nfs/dbraw/zinc/86/45/44/559864544.db2.gz HQXGSMXBTNJVKG-UHFFFAOYSA-N 1 2 371.462 2.261 20 30 FEEDLO C[N@H+](CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)CC(C)(C)C#N ZINC000433313257 559876775 /nfs/dbraw/zinc/87/67/75/559876775.db2.gz UREWQXFGXQVRLZ-GOSISDBHSA-N 1 2 371.460 2.016 20 30 FEEDLO C[N@@H+](CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)CC(C)(C)C#N ZINC000433313257 559876776 /nfs/dbraw/zinc/87/67/76/559876776.db2.gz UREWQXFGXQVRLZ-GOSISDBHSA-N 1 2 371.460 2.016 20 30 FEEDLO CC(C)Oc1ccc(NC(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)cc1C#N ZINC000435554939 559925067 /nfs/dbraw/zinc/92/50/67/559925067.db2.gz VGJQCQFBWQIGGU-UHFFFAOYSA-N 1 2 368.441 2.418 20 30 FEEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)c1cn(CCCC#N)c2ccccc12 ZINC000435841833 559930982 /nfs/dbraw/zinc/93/09/82/559930982.db2.gz BYMYQPQPGQUJGY-INIZCTEOSA-N 1 2 354.454 2.396 20 30 FEEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)c1cn(CCCC#N)c2ccccc12 ZINC000435841834 559931002 /nfs/dbraw/zinc/93/10/02/559931002.db2.gz BYMYQPQPGQUJGY-MRXNPFEDSA-N 1 2 354.454 2.396 20 30 FEEDLO CCN(C[C@@H](C)C#N)C(=O)C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000437418335 559964512 /nfs/dbraw/zinc/96/45/12/559964512.db2.gz GJXDQDOBTJUCHQ-JKSUJKDBSA-N 1 2 372.469 2.026 20 30 FEEDLO N#Cc1ccc(CN2CCC[C@H]2C[NH+]2CCOCC2)c(OC(F)F)c1 ZINC000437880720 559970996 /nfs/dbraw/zinc/97/09/96/559970996.db2.gz GYIKFHLDJHGRPH-INIZCTEOSA-N 1 2 351.397 2.456 20 30 FEEDLO C[C@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)CCN1c1nccn2cnnc12 ZINC000441049666 560022420 /nfs/dbraw/zinc/02/24/20/560022420.db2.gz JMQJSEVTZXBPJN-HNNXBMFYSA-N 1 2 366.856 2.340 20 30 FEEDLO C[C@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)CCN1c1nccn2cnnc12 ZINC000441049666 560022421 /nfs/dbraw/zinc/02/24/21/560022421.db2.gz JMQJSEVTZXBPJN-HNNXBMFYSA-N 1 2 366.856 2.340 20 30 FEEDLO CCC[C@@]1(C(=O)OCC)CCC[N@@H+]1CC(=O)NCc1ccc(C#N)cc1 ZINC000444795448 560120953 /nfs/dbraw/zinc/12/09/53/560120953.db2.gz YLSBDCLIQQUBJM-FQEVSTJZSA-N 1 2 357.454 2.372 20 30 FEEDLO CCC[C@@]1(C(=O)OCC)CCC[N@H+]1CC(=O)NCc1ccc(C#N)cc1 ZINC000444795448 560120954 /nfs/dbraw/zinc/12/09/54/560120954.db2.gz YLSBDCLIQQUBJM-FQEVSTJZSA-N 1 2 357.454 2.372 20 30 FEEDLO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(c2cccc(C#N)c2[N+](=O)[O-])CC1 ZINC000450315342 560258293 /nfs/dbraw/zinc/25/82/93/560258293.db2.gz PCISPMNYWZGHGC-CQSZACIVSA-N 1 2 371.441 2.036 20 30 FEEDLO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCCC[C@H]1c1n[nH]c(=O)[nH]1 ZINC000450987604 560281268 /nfs/dbraw/zinc/28/12/68/560281268.db2.gz LXUNMQPUSDMUSB-HOTGVXAUSA-N 1 2 358.442 2.206 20 30 FEEDLO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCCC[C@H]1c1n[nH]c(=O)[nH]1 ZINC000450987604 560281269 /nfs/dbraw/zinc/28/12/69/560281269.db2.gz LXUNMQPUSDMUSB-HOTGVXAUSA-N 1 2 358.442 2.206 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451395842 560304294 /nfs/dbraw/zinc/30/42/94/560304294.db2.gz XOGWFEPMGJZQFH-PBHICJAKSA-N 1 2 356.382 2.492 20 30 FEEDLO CCO[C@H]1CC[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C[C@@H]1C ZINC000451545271 560313876 /nfs/dbraw/zinc/31/38/76/560313876.db2.gz QXCJJXOTSBVANK-YJBOKZPZSA-N 1 2 367.453 2.429 20 30 FEEDLO CCO[C@H]1CC[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C[C@@H]1C ZINC000451545271 560313877 /nfs/dbraw/zinc/31/38/77/560313877.db2.gz QXCJJXOTSBVANK-YJBOKZPZSA-N 1 2 367.453 2.429 20 30 FEEDLO C[C@H]1CN(CC(F)(F)F)CC[N@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000451871300 560333665 /nfs/dbraw/zinc/33/36/65/560333665.db2.gz KBLURUAISGXWLA-CYBMUJFWSA-N 1 2 354.376 2.313 20 30 FEEDLO C[C@H]1CN(CC(F)(F)F)CC[N@@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000451871300 560333666 /nfs/dbraw/zinc/33/36/66/560333666.db2.gz KBLURUAISGXWLA-CYBMUJFWSA-N 1 2 354.376 2.313 20 30 FEEDLO N#Cc1ncc(NC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)cc1Cl ZINC000455788908 560494751 /nfs/dbraw/zinc/49/47/51/560494751.db2.gz OSAMBCAEIQNBLF-AWEZNQCLSA-N 1 2 363.849 2.325 20 30 FEEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)C(C)(C)Cc1ccc(C#N)cc1 ZINC000456054481 560505512 /nfs/dbraw/zinc/50/55/12/560505512.db2.gz KXZVDGOUENGWEG-LPHOPBHVSA-N 1 2 355.482 2.449 20 30 FEEDLO C=CCC[C@H](NC(=O)c1ccccc1C[NH+]1CCOCC1)C(=O)OCC ZINC000456632486 560526578 /nfs/dbraw/zinc/52/65/78/560526578.db2.gz UDIUTZNKBBKZNO-SFHVURJKSA-N 1 2 360.454 2.147 20 30 FEEDLO Cc1ccc([C@H](CNC(=O)c2cc(C)c(C#N)cn2)[NH+]2CCOCC2)cc1 ZINC000457483049 560569858 /nfs/dbraw/zinc/56/98/58/560569858.db2.gz PQNAMTGMZNQEHK-FQEVSTJZSA-N 1 2 364.449 2.373 20 30 FEEDLO C=CCN(Cc1cccs1)C(=O)C(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000459865951 560714763 /nfs/dbraw/zinc/71/47/63/560714763.db2.gz JUJRIRXXYUWIKR-UHFFFAOYSA-N 1 2 372.494 2.454 20 30 FEEDLO C=CC[C@@H](CC)NC(=O)N1CC[NH+](CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000466378305 560885442 /nfs/dbraw/zinc/88/54/42/560885442.db2.gz KTLRZRTWQUPYRG-DLBZAZTESA-N 1 2 350.507 2.069 20 30 FEEDLO C[C@@H]1CCC[C@H](C)[N@H+]1CCNS(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000467154693 560905100 /nfs/dbraw/zinc/90/51/00/560905100.db2.gz ZTTPLMLPRGHERJ-TXEJJXNPSA-N 1 2 357.426 2.378 20 30 FEEDLO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNS(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000467154693 560905101 /nfs/dbraw/zinc/90/51/01/560905101.db2.gz ZTTPLMLPRGHERJ-TXEJJXNPSA-N 1 2 357.426 2.378 20 30 FEEDLO C[C@H](CNC(=O)c1cn(CCCC#N)c2ccccc12)[NH+]1CCN(C)CC1 ZINC000469138842 560948183 /nfs/dbraw/zinc/94/81/83/560948183.db2.gz YWXUHYPTLRHGNR-QGZVFWFLSA-N 1 2 367.497 2.311 20 30 FEEDLO C[C@H](C[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1)CS(C)(=O)=O ZINC000471014446 560996332 /nfs/dbraw/zinc/99/63/32/560996332.db2.gz KMTMQLZMMHSJFP-PBHICJAKSA-N 1 2 369.918 2.203 20 30 FEEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+](C)Cc1ccnn1C ZINC000471065348 560997347 /nfs/dbraw/zinc/99/73/47/560997347.db2.gz IYAUVXVBWOEIIM-HNNXBMFYSA-N 1 2 355.442 2.196 20 30 FEEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+](C)Cc1ccnn1C ZINC000471065348 560997348 /nfs/dbraw/zinc/99/73/48/560997348.db2.gz IYAUVXVBWOEIIM-HNNXBMFYSA-N 1 2 355.442 2.196 20 30 FEEDLO CC1(C)CN(CC(F)(F)F)CC[N@@H+]1C[C@@H](O)COc1ccccc1C#N ZINC000528437538 562329322 /nfs/dbraw/zinc/32/93/22/562329322.db2.gz LMKWSRZVYMYXRP-OAHLLOKOSA-N 1 2 371.403 2.256 20 30 FEEDLO CC1(C)CN(CC(F)(F)F)CC[N@H+]1C[C@@H](O)COc1ccccc1C#N ZINC000528437538 562329323 /nfs/dbraw/zinc/32/93/23/562329323.db2.gz LMKWSRZVYMYXRP-OAHLLOKOSA-N 1 2 371.403 2.256 20 30 FEEDLO C[N@@H+]1CC[C@H](NC(=O)Cc2ccc(C#N)nc2)[C@H]1c1ccc(F)c(F)c1 ZINC000528930611 562353428 /nfs/dbraw/zinc/35/34/28/562353428.db2.gz INHWYVYQFAFOIW-PKOBYXMFSA-N 1 2 356.376 2.336 20 30 FEEDLO C[N@H+]1CC[C@H](NC(=O)Cc2ccc(C#N)nc2)[C@H]1c1ccc(F)c(F)c1 ZINC000528930611 562353429 /nfs/dbraw/zinc/35/34/29/562353429.db2.gz INHWYVYQFAFOIW-PKOBYXMFSA-N 1 2 356.376 2.336 20 30 FEEDLO COCc1ccc(NC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1C#N ZINC000529215096 562365337 /nfs/dbraw/zinc/36/53/37/562365337.db2.gz BZMWHXAIWYYKBK-UHFFFAOYSA-N 1 2 351.410 2.454 20 30 FEEDLO CO[C@H](Cn1cc(C[NH+]2CCOCC2)cc(C#N)c1=O)c1ccc(F)cc1 ZINC000530109933 562398717 /nfs/dbraw/zinc/39/87/17/562398717.db2.gz UAJMBNAJLFSGOR-LJQANCHMSA-N 1 2 371.412 2.079 20 30 FEEDLO C=C(C)CN(CC)C(=O)C[S@](=O)Cc1[nH+]ccn1CC(F)(F)F ZINC000530633668 562418439 /nfs/dbraw/zinc/41/84/39/562418439.db2.gz OEICGDYCTXZRMK-HSZRJFAPSA-N 1 2 351.394 2.119 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Cc1coc(-c2cccs2)n1 ZINC000531118627 562435251 /nfs/dbraw/zinc/43/52/51/562435251.db2.gz URHYVTBIWRHFKY-UHFFFAOYSA-N 1 2 374.466 2.020 20 30 FEEDLO Cc1noc([C@H](C)[NH2+]CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)n1 ZINC000541651387 562617261 /nfs/dbraw/zinc/61/72/61/562617261.db2.gz PITUBWALBZTUOV-NSHDSACASA-N 1 2 366.343 2.215 20 30 FEEDLO C=CCNC(=O)C[NH2+][C@@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000541685994 562617901 /nfs/dbraw/zinc/61/79/01/562617901.db2.gz CMDSYPHXKDEQFU-JTQLQIEISA-N 1 2 365.231 2.452 20 30 FEEDLO C[C@H]1C[NH+](CC(=O)N2CCC(Cc3ccccc3)CC2)C[C@H](C)N1CC#N ZINC000602854936 568002135 /nfs/dbraw/zinc/00/21/35/568002135.db2.gz FFMCRQOLOJCTFH-OALUTQOASA-N 1 2 368.525 2.386 20 30 FEEDLO C[C@H](C(=O)Nc1ccc2c(c1)OCCCO2)[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602856092 568002403 /nfs/dbraw/zinc/00/24/03/568002403.db2.gz KAEYJBQFVWAECE-OWCLPIDISA-N 1 2 372.469 2.093 20 30 FEEDLO C[C@H](C(=O)Nc1ccc2c(c1)OCCCO2)[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602856092 568002404 /nfs/dbraw/zinc/00/24/04/568002404.db2.gz KAEYJBQFVWAECE-OWCLPIDISA-N 1 2 372.469 2.093 20 30 FEEDLO COc1ccc(-c2noc(C[NH+]3C[C@@H](C)N(CC#N)[C@H](C)C3)n2)c(OC)c1 ZINC000602858825 568003032 /nfs/dbraw/zinc/00/30/32/568003032.db2.gz VNVFLARZKHIQOM-ZIAGYGMSSA-N 1 2 371.441 2.172 20 30 FEEDLO Cn1ccnc1[C@@H]([NH2+]CC(=O)N(CCC#N)c1ccccc1)C(C)(C)CO ZINC000602880064 568003983 /nfs/dbraw/zinc/00/39/83/568003983.db2.gz DDTARTMJWAVWHL-GOSISDBHSA-N 1 2 369.469 2.016 20 30 FEEDLO Cc1cc(C)c(CCNC(=O)C[NH+]2C[C@H](C)N(CC#N)[C@@H](C)C2)c(C)c1 ZINC000602867149 568008443 /nfs/dbraw/zinc/00/84/43/568008443.db2.gz XNPXMNHLEJVYRY-OALUTQOASA-N 1 2 356.514 2.189 20 30 FEEDLO C[C@H](CC#N)[NH2+]CC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F ZINC000602861339 568049625 /nfs/dbraw/zinc/04/96/25/568049625.db2.gz HCWMBDCHYOTMCW-MFKMUULPSA-N 1 2 354.332 2.184 20 30 FEEDLO C[C@H](C(=O)N1CCSc2ccccc21)[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602861897 568049674 /nfs/dbraw/zinc/04/96/74/568049674.db2.gz MPBYCXUYRVAHIB-BZUAXINKSA-N 1 2 358.511 2.432 20 30 FEEDLO N#CCCN1CCN(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)CC1 ZINC000602837340 568050670 /nfs/dbraw/zinc/05/06/70/568050670.db2.gz UUKFRPMOJTZDMP-UHFFFAOYSA-N 1 2 368.441 2.025 20 30 FEEDLO C=CCNC(=O)NC(=O)C[NH+]1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000604276129 568239823 /nfs/dbraw/zinc/23/98/23/568239823.db2.gz GFKMCWXOCZKJPX-IUCAKERBSA-N 1 2 361.286 2.061 20 30 FEEDLO COc1ccccc1[C@H](C)NC(=O)[C@@H](C)[NH+]1CCN([C@H](C#N)C(C)C)CC1 ZINC000609484790 568345021 /nfs/dbraw/zinc/34/50/21/568345021.db2.gz FVJMMRSGGWSEOZ-YQVWRLOYSA-N 1 2 372.513 2.427 20 30 FEEDLO Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[N@@H+](C[C@H](C)C#N)C1CC1 ZINC000826335058 607817950 /nfs/dbraw/zinc/81/79/50/607817950.db2.gz WMMJBKHFWGXUBF-GFCCVEGCSA-N 1 2 363.429 2.015 20 30 FEEDLO Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[N@H+](C[C@H](C)C#N)C1CC1 ZINC000826335058 607817951 /nfs/dbraw/zinc/81/79/51/607817951.db2.gz WMMJBKHFWGXUBF-GFCCVEGCSA-N 1 2 363.429 2.015 20 30 FEEDLO C[N@@H+]1CCN(S(=O)(=O)c2ccccc2C#N)C[C@H]1Cc1ccccc1 ZINC000560071208 674566783 /nfs/dbraw/zinc/56/67/83/674566783.db2.gz QIHMEAKAJXGOGR-GOSISDBHSA-N 1 2 355.463 2.106 20 30 FEEDLO C[N@H+]1CCN(S(=O)(=O)c2ccccc2C#N)C[C@H]1Cc1ccccc1 ZINC000560071208 674566784 /nfs/dbraw/zinc/56/67/84/674566784.db2.gz QIHMEAKAJXGOGR-GOSISDBHSA-N 1 2 355.463 2.106 20 30 FEEDLO CCN(C)c1ccc(C=[NH+]Nc2ccc(S(=O)(=O)N(C)C)cc2)cn1 ZINC000812229095 674658243 /nfs/dbraw/zinc/65/82/43/674658243.db2.gz USKMVTWARHKCDW-UHFFFAOYSA-N 1 2 361.471 2.234 20 30 FEEDLO Cc1ccc2[nH+]c(CSCC(=O)NCc3ccc(C#N)cn3)cn2c1 ZINC000813708607 674772437 /nfs/dbraw/zinc/77/24/37/674772437.db2.gz RNQUBELFJYIRCU-UHFFFAOYSA-N 1 2 351.435 2.459 20 30 FEEDLO C[C@]1(c2cccc(C#N)c2)NC(=O)N(C[N@@H+]2CCSC(C)(C)C2)C1=O ZINC000083630801 670659249 /nfs/dbraw/zinc/65/92/49/670659249.db2.gz FUUAYGJSUBIZTQ-GOSISDBHSA-N 1 2 358.467 2.110 20 30 FEEDLO C[C@]1(c2cccc(C#N)c2)NC(=O)N(C[N@H+]2CCSC(C)(C)C2)C1=O ZINC000083630801 670659253 /nfs/dbraw/zinc/65/92/53/670659253.db2.gz FUUAYGJSUBIZTQ-GOSISDBHSA-N 1 2 358.467 2.110 20 30 FEEDLO CC(=O)N1CC[NH+](Cc2ccccc2NCc2nc(C#N)cs2)CC1 ZINC000565626233 675137719 /nfs/dbraw/zinc/13/77/19/675137719.db2.gz LPYMQGIMWZKEJA-UHFFFAOYSA-N 1 2 355.467 2.291 20 30 FEEDLO C=CCN(C)C(=O)C(=O)N[C@@H]1CC[N@@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000574478168 671244890 /nfs/dbraw/zinc/24/48/90/671244890.db2.gz WDOHWJCUWVCJKX-HZPDHXFCSA-N 1 2 367.852 2.375 20 30 FEEDLO C=CCN(C)C(=O)C(=O)N[C@@H]1CC[N@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000574478168 671244893 /nfs/dbraw/zinc/24/48/93/671244893.db2.gz WDOHWJCUWVCJKX-HZPDHXFCSA-N 1 2 367.852 2.375 20 30 FEEDLO C[N@@H+]1CC[C@H](NS(=O)(=O)CC2(CC#N)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000577341050 671588644 /nfs/dbraw/zinc/58/86/44/671588644.db2.gz NGEGMQLZWKGHCE-HOTGVXAUSA-N 1 2 369.437 2.323 20 30 FEEDLO C[N@H+]1CC[C@H](NS(=O)(=O)CC2(CC#N)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000577341050 671588647 /nfs/dbraw/zinc/58/86/47/671588647.db2.gz NGEGMQLZWKGHCE-HOTGVXAUSA-N 1 2 369.437 2.323 20 30 FEEDLO CNS(=O)(=O)c1cccc(C(=O)/C=C/c2c[nH+]c3c(C)cccn23)c1 ZINC000125344128 672010213 /nfs/dbraw/zinc/01/02/13/672010213.db2.gz STABTGBFLCUYNA-CMDGGOBGSA-N 1 2 355.419 2.447 20 30 FEEDLO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]CC1(C#N)CC1 ZINC000582586720 672015344 /nfs/dbraw/zinc/01/53/44/672015344.db2.gz BMTRPLBJHCPEFB-LLVKDONJSA-N 1 2 366.259 2.356 20 30 FEEDLO C=CCOc1ccc(C[N@H+]2CCC[C@H](NS(C)(=O)=O)C2)cc1Cl ZINC000154049709 672209930 /nfs/dbraw/zinc/20/99/30/672209930.db2.gz YMWPJXHAUDFPDH-AWEZNQCLSA-N 1 2 358.891 2.418 20 30 FEEDLO C=CCOc1ccc(C[N@@H+]2CCC[C@H](NS(C)(=O)=O)C2)cc1Cl ZINC000154049709 672209931 /nfs/dbraw/zinc/20/99/31/672209931.db2.gz YMWPJXHAUDFPDH-AWEZNQCLSA-N 1 2 358.891 2.418 20 30 FEEDLO C#CCSCCNC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000154866757 672223192 /nfs/dbraw/zinc/22/31/92/672223192.db2.gz NMEUNXKWQAAIJO-UHFFFAOYSA-N 1 2 361.515 2.106 20 30 FEEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1ccc(CS(=O)(=O)C(C)(C)C)cc1 ZINC000591773476 672710207 /nfs/dbraw/zinc/71/02/07/672710207.db2.gz YWFBBNUSAZRXAQ-KRWDZBQOSA-N 1 2 367.515 2.018 20 30 FEEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1ccc(CS(=O)(=O)C(C)(C)C)cc1 ZINC000591773476 672710211 /nfs/dbraw/zinc/71/02/11/672710211.db2.gz YWFBBNUSAZRXAQ-KRWDZBQOSA-N 1 2 367.515 2.018 20 30 FEEDLO COC(=O)c1ccc(C[N@@H+]2CC[C@](O)(CC#N)C2)c(Br)c1 ZINC000592152978 672764796 /nfs/dbraw/zinc/76/47/96/672764796.db2.gz HEMWEEVRCCVNLQ-OAHLLOKOSA-N 1 2 353.216 2.086 20 30 FEEDLO COC(=O)c1ccc(C[N@H+]2CC[C@](O)(CC#N)C2)c(Br)c1 ZINC000592152978 672764800 /nfs/dbraw/zinc/76/48/00/672764800.db2.gz HEMWEEVRCCVNLQ-OAHLLOKOSA-N 1 2 353.216 2.086 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCC(C)(C(=O)OC(C)(C)C)CC1 ZINC000592157715 672765615 /nfs/dbraw/zinc/76/56/15/672765615.db2.gz JPHCAMXQHNCYEW-LJQANCHMSA-N 1 2 351.491 2.485 20 30 FEEDLO CC[N@@H+]1C[C@H](C)N(C(=O)N[C@@H]2CCS(=O)(=O)c3ccccc32)C[C@@H]1C ZINC000329056199 673071505 /nfs/dbraw/zinc/07/15/05/673071505.db2.gz SOAOYOUPZHFTRN-OFQRWUPVSA-N 1 2 365.499 2.234 20 30 FEEDLO CC[N@H+]1C[C@H](C)N(C(=O)N[C@@H]2CCS(=O)(=O)c3ccccc32)C[C@@H]1C ZINC000329056199 673071510 /nfs/dbraw/zinc/07/15/10/673071510.db2.gz SOAOYOUPZHFTRN-OFQRWUPVSA-N 1 2 365.499 2.234 20 30 FEEDLO N#Cc1c(F)cccc1S(=O)(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000715691385 673073534 /nfs/dbraw/zinc/07/35/34/673073534.db2.gz XTRWYDACLXNECY-HNNXBMFYSA-N 1 2 359.426 2.250 20 30 FEEDLO N#Cc1c(F)cccc1S(=O)(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000715691385 673073540 /nfs/dbraw/zinc/07/35/40/673073540.db2.gz XTRWYDACLXNECY-HNNXBMFYSA-N 1 2 359.426 2.250 20 30 FEEDLO COc1ccccc1[C@H](CNS(=O)(=O)c1ccc(C#N)s1)[NH+](C)C ZINC000435438334 673216781 /nfs/dbraw/zinc/21/67/81/673216781.db2.gz ODCQTDMRXCFUGE-AWEZNQCLSA-N 1 2 365.480 2.210 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cc(F)ccc1OC(F)F ZINC000595335120 673227008 /nfs/dbraw/zinc/22/70/08/673227008.db2.gz VJPGVEPPZYXJTN-UHFFFAOYSA-N 1 2 357.376 2.475 20 30 FEEDLO N#Cc1sccc1N1CCN(C(=O)[C@@H]([NH3+])c2c(F)cccc2F)CC1 ZINC000595938298 673341923 /nfs/dbraw/zinc/34/19/23/673341923.db2.gz NESUNBQHCALHFA-INIZCTEOSA-N 1 2 362.405 2.247 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c(F)c1 ZINC000739947402 673639579 /nfs/dbraw/zinc/63/95/79/673639579.db2.gz BFKMDMJVIXUGFT-UHFFFAOYSA-N 1 2 356.382 2.362 20 30 FEEDLO COC(=O)[C@@]1(OC)CC[N@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000599565909 673692288 /nfs/dbraw/zinc/69/22/88/673692288.db2.gz XZAHARLMBHEPGX-OAHLLOKOSA-N 1 2 353.216 2.085 20 30 FEEDLO COC(=O)[C@@]1(OC)CC[N@@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000599565909 673692289 /nfs/dbraw/zinc/69/22/89/673692289.db2.gz XZAHARLMBHEPGX-OAHLLOKOSA-N 1 2 353.216 2.085 20 30 FEEDLO Cc1cc(C(N)=[NH+]OCCOc2ccc(S(C)(=O)=O)cc2)ccc1F ZINC000742354988 673724978 /nfs/dbraw/zinc/72/49/78/673724978.db2.gz XEDMHXVKUJJYKU-UHFFFAOYSA-N 1 2 366.414 2.254 20 30 FEEDLO N#Cc1cc(NC(=O)N[C@H]2Cc3c[nH+]cn3C2)ccc1OC(F)(F)F ZINC000603008481 673915619 /nfs/dbraw/zinc/91/56/19/673915619.db2.gz RDBZKRXSEJUUAU-NSHDSACASA-N 1 2 351.288 2.400 20 30 FEEDLO N#Cc1cc(F)cc(NC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)c1 ZINC000603083277 673917407 /nfs/dbraw/zinc/91/74/07/673917407.db2.gz YDHFVWLMWAKZMH-QGZVFWFLSA-N 1 2 364.446 2.027 20 30 FEEDLO CC#CCS(=O)(=O)c1cccc(C(=O)N(CCC)[C@@H]2CC[N@H+](C)C2)c1 ZINC000823499479 675557347 /nfs/dbraw/zinc/55/73/47/675557347.db2.gz KEOLGAMCUYDHEJ-QGZVFWFLSA-N 1 2 362.495 2.040 20 30 FEEDLO CC#CCS(=O)(=O)c1cccc(C(=O)N(CCC)[C@@H]2CC[N@@H+](C)C2)c1 ZINC000823499479 675557350 /nfs/dbraw/zinc/55/73/50/675557350.db2.gz KEOLGAMCUYDHEJ-QGZVFWFLSA-N 1 2 362.495 2.040 20 30 FEEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]21 ZINC000823540105 675559332 /nfs/dbraw/zinc/55/93/32/675559332.db2.gz ONJFSRFLIMNDBU-HOTGVXAUSA-N 1 2 351.491 2.352 20 30 FEEDLO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]21 ZINC000823540105 675559334 /nfs/dbraw/zinc/55/93/34/675559334.db2.gz ONJFSRFLIMNDBU-HOTGVXAUSA-N 1 2 351.491 2.352 20 30 FEEDLO NC(=[NH+]OCCOc1cccc(-c2nn[nH]n2)c1)c1ccc(Cl)cc1 ZINC000826388199 675687708 /nfs/dbraw/zinc/68/77/08/675687708.db2.gz MQEXRMKCGWUNRL-UHFFFAOYSA-N 1 2 358.789 2.236 20 30 FEEDLO N#CCc1ccccc1S(=O)(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000619571822 676385347 /nfs/dbraw/zinc/38/53/47/676385347.db2.gz BVGWTLCTZZLJTI-UHFFFAOYSA-N 1 2 356.451 2.226 20 30 FEEDLO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCO[C@H](CCF)C2)c(OC)c1 ZINC000625999863 676682881 /nfs/dbraw/zinc/68/28/81/676682881.db2.gz DYAUHVMRULMKCD-DLBZAZTESA-N 1 2 353.434 2.224 20 30 FEEDLO C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCO[C@H](CCF)C2)c(OC)c1 ZINC000625999863 676682882 /nfs/dbraw/zinc/68/28/82/676682882.db2.gz DYAUHVMRULMKCD-DLBZAZTESA-N 1 2 353.434 2.224 20 30 FEEDLO C=CCOc1c(Cl)cc(C[N@@H+]2CCCN(C(N)=O)CC2)cc1OC ZINC000628160116 676792845 /nfs/dbraw/zinc/79/28/45/676792845.db2.gz KBQXMSPMBJLYSZ-UHFFFAOYSA-N 1 2 353.850 2.500 20 30 FEEDLO C=CCOc1c(Cl)cc(C[N@H+]2CCCN(C(N)=O)CC2)cc1OC ZINC000628160116 676792847 /nfs/dbraw/zinc/79/28/47/676792847.db2.gz KBQXMSPMBJLYSZ-UHFFFAOYSA-N 1 2 353.850 2.500 20 30 FEEDLO C=CCNS(=O)(=O)c1ccccc1N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000641435334 677206094 /nfs/dbraw/zinc/20/60/94/677206094.db2.gz GNJHYSAVWUTYQQ-NVXWUHKLSA-N 1 2 360.483 2.435 20 30 FEEDLO C=CCONC(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000838710869 680713868 /nfs/dbraw/zinc/71/38/68/680713868.db2.gz FASNDEAUPXIIGR-UHFFFAOYSA-N 1 2 353.220 2.365 20 30 FEEDLO C#CC[C@@H](NCc1c[nH+]c2c(C)cc(Br)cn12)C(=O)OC ZINC000839168623 680742648 /nfs/dbraw/zinc/74/26/48/680742648.db2.gz MATGOQDYCOYNCS-CYBMUJFWSA-N 1 2 350.216 2.060 20 30 FEEDLO Cc1cc(F)ccc1N[NH+]=Cc1c(Cl)nc(N)nc1N1CCOCC1 ZINC000750938476 680141189 /nfs/dbraw/zinc/14/11/89/680141189.db2.gz IUAINAJCTJWAQK-UHFFFAOYSA-N 1 2 364.812 2.442 20 30 FEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnsc2Cl)C1 ZINC001022834309 680241005 /nfs/dbraw/zinc/24/10/05/680241005.db2.gz MIMSCAODRPKZIO-OPDFLTKYSA-N 1 2 370.906 2.300 20 30 FEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1OCC[C@@H]1Cn1cccn1 ZINC001024708085 680301528 /nfs/dbraw/zinc/30/15/28/680301528.db2.gz UGICWGLDSDDKRM-IXDOHACOSA-N 1 2 366.893 2.011 20 30 FEEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1OCC[C@@H]1Cn1cccn1 ZINC001024708085 680301529 /nfs/dbraw/zinc/30/15/29/680301529.db2.gz UGICWGLDSDDKRM-IXDOHACOSA-N 1 2 366.893 2.011 20 30 FEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC([N@H+](C)Cc2nncs2)CC1 ZINC000985693627 680470634 /nfs/dbraw/zinc/47/06/34/680470634.db2.gz ZIUGSMLQKUWRMK-RDJZCZTQSA-N 1 2 364.515 2.332 20 30 FEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC([N@@H+](C)Cc2nncs2)CC1 ZINC000985693627 680470638 /nfs/dbraw/zinc/47/06/38/680470638.db2.gz ZIUGSMLQKUWRMK-RDJZCZTQSA-N 1 2 364.515 2.332 20 30 FEEDLO C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1Nc1snc(Cl)c1C#N ZINC001043426898 680581748 /nfs/dbraw/zinc/58/17/48/680581748.db2.gz PNYUQZAANVOYFY-ZYHUDNBSSA-N 1 2 364.862 2.214 20 30 FEEDLO C=C(Br)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[C@H]2c2cnn(C)c2)C1 ZINC001046641825 680652855 /nfs/dbraw/zinc/65/28/55/680652855.db2.gz XEQIQACVUHWBTM-SQWLQELKSA-N 1 2 367.291 2.013 20 30 FEEDLO C=C(Br)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[C@H]2c2cnn(C)c2)C1 ZINC001046641825 680652857 /nfs/dbraw/zinc/65/28/57/680652857.db2.gz XEQIQACVUHWBTM-SQWLQELKSA-N 1 2 367.291 2.013 20 30 FEEDLO C[N@@H+](CC(=O)Nc1nc2c(s1)CCC2)C[C@@H](O)c1cccc(C#N)c1 ZINC000844365442 681054196 /nfs/dbraw/zinc/05/41/96/681054196.db2.gz GBGQTYONABKWPR-OAHLLOKOSA-N 1 2 356.451 2.107 20 30 FEEDLO C[N@H+](CC(=O)Nc1nc2c(s1)CCC2)C[C@@H](O)c1cccc(C#N)c1 ZINC000844365442 681054197 /nfs/dbraw/zinc/05/41/97/681054197.db2.gz GBGQTYONABKWPR-OAHLLOKOSA-N 1 2 356.451 2.107 20 30 FEEDLO CCC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](Nc2snc(Cl)c2C#N)C1 ZINC001052711621 681083397 /nfs/dbraw/zinc/08/33/97/681083397.db2.gz UXEZOLDJZWUYLV-GHMZBOCLSA-N 1 2 364.862 2.218 20 30 FEEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1)CO2 ZINC001053950320 681105518 /nfs/dbraw/zinc/10/55/18/681105518.db2.gz ZQXIAGWJUVNXPQ-OKZBNKHCSA-N 1 2 358.869 2.426 20 30 FEEDLO C=CCNC(=O)C[NH+]1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932945645 681333095 /nfs/dbraw/zinc/33/30/95/681333095.db2.gz HIKHMANVLZHLLW-YUMQZZPRSA-N 1 2 366.252 2.391 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@H]1CCC[N@H+](Cc2nncs2)CC1 ZINC000948384833 681577270 /nfs/dbraw/zinc/57/72/70/681577270.db2.gz GJNZQYYPSOGUMV-XHSDSOJGSA-N 1 2 364.515 2.332 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@H]1CCC[N@@H+](Cc2nncs2)CC1 ZINC000948384833 681577275 /nfs/dbraw/zinc/57/72/75/681577275.db2.gz GJNZQYYPSOGUMV-XHSDSOJGSA-N 1 2 364.515 2.332 20 30 FEEDLO N#Cc1cc(Cl)c(C(=O)N2CC[NH2+][C@@H](c3cn[nH]c3)C2)c(Cl)c1 ZINC000913450085 685477615 /nfs/dbraw/zinc/47/76/15/685477615.db2.gz WQKAWPZXGMWYHQ-CYBMUJFWSA-N 1 2 350.209 2.375 20 30 FEEDLO C=C(Br)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC000959964991 682015211 /nfs/dbraw/zinc/01/52/11/682015211.db2.gz HBFRPGIAYOMPEI-ZVDSWSACSA-N 1 2 362.271 2.140 20 30 FEEDLO C=C(Br)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC000959964991 682015217 /nfs/dbraw/zinc/01/52/17/682015217.db2.gz HBFRPGIAYOMPEI-ZVDSWSACSA-N 1 2 362.271 2.140 20 30 FEEDLO COC(=O)N(C)CC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000852571019 682302383 /nfs/dbraw/zinc/30/23/83/682302383.db2.gz YUGVUYGCAINEKN-NSHDSACASA-N 1 2 352.822 2.169 20 30 FEEDLO COC(=O)N(C)CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000852571019 682302389 /nfs/dbraw/zinc/30/23/89/682302389.db2.gz YUGVUYGCAINEKN-NSHDSACASA-N 1 2 352.822 2.169 20 30 FEEDLO CN(C)C(=O)N(C)[C@H]1CC[N@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000852653090 682313775 /nfs/dbraw/zinc/31/37/75/682313775.db2.gz KWGBUNZEQGSBDF-HNNXBMFYSA-N 1 2 350.850 2.430 20 30 FEEDLO CN(C)C(=O)N(C)[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000852653090 682313778 /nfs/dbraw/zinc/31/37/78/682313778.db2.gz KWGBUNZEQGSBDF-HNNXBMFYSA-N 1 2 350.850 2.430 20 30 FEEDLO C#C[C@H]([NH2+][C@H](C(N)=O)c1ccc(Br)cc1F)C1CCOCC1 ZINC000853079286 682373462 /nfs/dbraw/zinc/37/34/62/682373462.db2.gz ZDSFHBLGAJDTID-GJZGRUSLSA-N 1 2 369.234 2.133 20 30 FEEDLO C[N@H+](CC(=O)[C@@H](C#N)C(=O)NCc1cccc(Cl)c1)[C@@H]1CCSC1 ZINC000786533176 682384221 /nfs/dbraw/zinc/38/42/21/682384221.db2.gz DWEOBMRZORXFLC-HUUCEWRRSA-N 1 2 365.886 2.102 20 30 FEEDLO C[N@@H+](CC(=O)[C@@H](C#N)C(=O)NCc1cccc(Cl)c1)[C@@H]1CCSC1 ZINC000786533176 682384230 /nfs/dbraw/zinc/38/42/30/682384230.db2.gz DWEOBMRZORXFLC-HUUCEWRRSA-N 1 2 365.886 2.102 20 30 FEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3sccc3C)C2)C1 ZINC000972379814 682411317 /nfs/dbraw/zinc/41/13/17/682411317.db2.gz ANWMLVMKHPHPHZ-HLIPFELVSA-N 1 2 358.507 2.487 20 30 FEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3sccc3C)C2)C1 ZINC000972379814 682411320 /nfs/dbraw/zinc/41/13/20/682411320.db2.gz ANWMLVMKHPHPHZ-HLIPFELVSA-N 1 2 358.507 2.487 20 30 FEEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3ccc(Cl)cc3)C2)C1 ZINC000972590358 682424683 /nfs/dbraw/zinc/42/46/83/682424683.db2.gz QDVFSLDMWGLHLP-NSHGMRRFSA-N 1 2 358.869 2.380 20 30 FEEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3ccc(Cl)cc3)C2)C1 ZINC000972590358 682424688 /nfs/dbraw/zinc/42/46/88/682424688.db2.gz QDVFSLDMWGLHLP-NSHGMRRFSA-N 1 2 358.869 2.380 20 30 FEEDLO N#CCCc1ccc(S(=O)(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)cc1 ZINC000921321038 683422153 /nfs/dbraw/zinc/42/21/53/683422153.db2.gz YETWXCVIXKBUHI-SJORKVTESA-N 1 2 365.524 2.001 20 30 FEEDLO N#CCCc1ccc(S(=O)(=O)N[C@@H]2CCC[N@H+]3CCSC[C@@H]23)cc1 ZINC000921321038 683422156 /nfs/dbraw/zinc/42/21/56/683422156.db2.gz YETWXCVIXKBUHI-SJORKVTESA-N 1 2 365.524 2.001 20 30 FEEDLO C=CCN1CC[C@@H]([N@H+](C)Cn2ncc3c2cccc3Br)C1=O ZINC000799143344 683426848 /nfs/dbraw/zinc/42/68/48/683426848.db2.gz MCASNERQVGXSQC-OAHLLOKOSA-N 1 2 363.259 2.475 20 30 FEEDLO C=CCN1CC[C@@H]([N@@H+](C)Cn2ncc3c2cccc3Br)C1=O ZINC000799143344 683426855 /nfs/dbraw/zinc/42/68/55/683426855.db2.gz MCASNERQVGXSQC-OAHLLOKOSA-N 1 2 363.259 2.475 20 30 FEEDLO Cc1[nH]c(CNc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)[nH+]c1C ZINC000922373973 683709971 /nfs/dbraw/zinc/70/99/71/683709971.db2.gz PYJLKFYJYRWQAR-HEHNFIMWSA-N 1 2 361.471 2.451 20 30 FEEDLO COC(=O)c1ccc(Br)c(C[N@@H+]2CC[C@](O)(CC#N)C2)c1 ZINC000930819173 683789019 /nfs/dbraw/zinc/78/90/19/683789019.db2.gz TVIKMJJCVQUZEP-OAHLLOKOSA-N 1 2 353.216 2.086 20 30 FEEDLO COC(=O)c1ccc(Br)c(C[N@H+]2CC[C@](O)(CC#N)C2)c1 ZINC000930819173 683789020 /nfs/dbraw/zinc/78/90/20/683789020.db2.gz TVIKMJJCVQUZEP-OAHLLOKOSA-N 1 2 353.216 2.086 20 30 FEEDLO C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000864883575 683904691 /nfs/dbraw/zinc/90/46/91/683904691.db2.gz CFSYNYVDGCTWIX-OLZOCXBDSA-N 1 2 356.854 2.424 20 30 FEEDLO CC[C@H]([NH2+]C1CCN(S(=O)(=O)CC)CC1)c1cccc(C#N)c1O ZINC000924631510 684476349 /nfs/dbraw/zinc/47/63/49/684476349.db2.gz HHYCNNRKFQJSND-INIZCTEOSA-N 1 2 351.472 2.119 20 30 FEEDLO C#C[C@@H](NC(=O)/C=C\C[NH+]1CCOCC1)c1ccc(Br)cc1 ZINC000868619251 684518916 /nfs/dbraw/zinc/51/89/16/684518916.db2.gz JCNKKTFCVCZVFM-MJSXRHKHSA-N 1 2 363.255 2.128 20 30 FEEDLO COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCC[N@@H+]1C[C@H](C)CCC#N ZINC000877524302 686401413 /nfs/dbraw/zinc/40/14/13/686401413.db2.gz UNZWSLJTIUCJNR-HUUCEWRRSA-N 1 2 353.463 2.411 20 30 FEEDLO COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCC[N@H+]1C[C@H](C)CCC#N ZINC000877524302 686401414 /nfs/dbraw/zinc/40/14/14/686401414.db2.gz UNZWSLJTIUCJNR-HUUCEWRRSA-N 1 2 353.463 2.411 20 30 FEEDLO CCNS(=O)(=O)c1cccc(C[NH2+]Cc2cc(C#N)cnc2Cl)c1 ZINC000877584066 686415466 /nfs/dbraw/zinc/41/54/66/686415466.db2.gz OHYBMKCRDPBGMP-UHFFFAOYSA-N 1 2 364.858 2.195 20 30 FEEDLO C=CCn1cc(C[NH2+]Cc2ccc(C(=O)OC)c(Br)c2)nn1 ZINC000877598403 686418718 /nfs/dbraw/zinc/41/87/18/686418718.db2.gz NJZLOSRZDNTOJP-UHFFFAOYSA-N 1 2 365.231 2.303 20 30 FEEDLO C=CCOc1ccc(C[NH+]2CC(CNC(=O)C(F)(F)F)C2)cc1OC ZINC000877779090 686455565 /nfs/dbraw/zinc/45/55/65/686455565.db2.gz YJOMJAHILDEUCC-UHFFFAOYSA-N 1 2 358.360 2.370 20 30 FEEDLO C=CCc1cc(C[N@@H+]2C[C@]3(C)CS(=O)(=O)C[C@]3(C)C2)cc(OC)c1O ZINC000877815268 686470720 /nfs/dbraw/zinc/47/07/20/686470720.db2.gz VZJQQBMMQCSJDN-KDURUIRLSA-N 1 2 365.495 2.386 20 30 FEEDLO C=CCc1cc(C[N@H+]2C[C@]3(C)CS(=O)(=O)C[C@]3(C)C2)cc(OC)c1O ZINC000877815268 686470727 /nfs/dbraw/zinc/47/07/27/686470727.db2.gz VZJQQBMMQCSJDN-KDURUIRLSA-N 1 2 365.495 2.386 20 30 FEEDLO CNC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC000879337055 686798417 /nfs/dbraw/zinc/79/84/17/686798417.db2.gz OOMMAXXIRVERBO-CQSZACIVSA-N 1 2 352.385 2.443 20 30 FEEDLO CNC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC000879337055 686798423 /nfs/dbraw/zinc/79/84/23/686798423.db2.gz OOMMAXXIRVERBO-CQSZACIVSA-N 1 2 352.385 2.443 20 30 FEEDLO CSC1([C@H](C#N)N(C)S(=O)(=O)c2cccc3c2CC[N@H+](C)C3)CC1 ZINC000886420165 688251767 /nfs/dbraw/zinc/25/17/67/688251767.db2.gz YHAIAMIBEAWCBA-INIZCTEOSA-N 1 2 365.524 2.083 20 30 FEEDLO CSC1([C@H](C#N)N(C)S(=O)(=O)c2cccc3c2CC[N@@H+](C)C3)CC1 ZINC000886420165 688251773 /nfs/dbraw/zinc/25/17/73/688251773.db2.gz YHAIAMIBEAWCBA-INIZCTEOSA-N 1 2 365.524 2.083 20 30 FEEDLO CSc1ccc(CNC(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)cc1C#N ZINC000890450702 688922166 /nfs/dbraw/zinc/92/21/66/688922166.db2.gz IPMCBJUBOKTBEX-AWEZNQCLSA-N 1 2 362.499 2.142 20 30 FEEDLO O=C1[C@H]([NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)CCCN1O ZINC000895164427 689669760 /nfs/dbraw/zinc/66/97/60/689669760.db2.gz GHTIPFVGGPUPER-GFCCVEGCSA-N 1 2 365.231 2.309 20 30 FEEDLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1ncc(C#N)cc1Cl)C2 ZINC001165007908 721695721 /nfs/dbraw/zinc/69/57/21/721695721.db2.gz GWVZALMUBVQLDB-UHFFFAOYSA-N 1 2 359.865 2.449 20 30 FEEDLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1ncc(C#N)cc1Cl)C2 ZINC001165007908 721695729 /nfs/dbraw/zinc/69/57/29/721695729.db2.gz GWVZALMUBVQLDB-UHFFFAOYSA-N 1 2 359.865 2.449 20 30 FEEDLO N#Cc1ccnc(NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)c1Cl ZINC000516671565 816953473 /nfs/dbraw/zinc/95/34/73/816953473.db2.gz KUWUIPLSVASGMT-UHFFFAOYSA-N 1 2 370.844 2.152 20 30 FEEDLO CCNC(=O)C[N@H+](CC)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000010101743 539512702 /nfs/dbraw/zinc/51/27/02/539512702.db2.gz UEKDJONWFUXDDJ-UHFFFAOYSA-N 1 2 350.850 2.045 20 30 FEEDLO CCNC(=O)C[N@@H+](CC)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000010101743 539512705 /nfs/dbraw/zinc/51/27/05/539512705.db2.gz UEKDJONWFUXDDJ-UHFFFAOYSA-N 1 2 350.850 2.045 20 30 FEEDLO N#Cc1ccc(CS(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000016725906 539635958 /nfs/dbraw/zinc/63/59/58/539635958.db2.gz VUNFKSJIQCLPQK-UHFFFAOYSA-N 1 2 355.463 2.206 20 30 FEEDLO C=CCNC(=O)C[NH+]1CCN(Cc2csc(-c3ccccc3)n2)CC1 ZINC000023264990 539711022 /nfs/dbraw/zinc/71/10/22/539711022.db2.gz BBMFMDYNFQGUSV-UHFFFAOYSA-N 1 2 356.495 2.230 20 30 FEEDLO N#Cc1cccc(NC(=O)CC[NH+]2CCN(C(=O)c3cccs3)CC2)c1 ZINC000024674226 539737720 /nfs/dbraw/zinc/73/77/20/539737720.db2.gz AQENFWLBXFDHNG-UHFFFAOYSA-N 1 2 368.462 2.406 20 30 FEEDLO CN(C)C(=O)c1cccc(NC(=O)C[N@H+](C)Cc2cccc(C#N)c2)c1 ZINC000026330143 539783826 /nfs/dbraw/zinc/78/38/26/539783826.db2.gz MHSFGTWSGJFDOZ-UHFFFAOYSA-N 1 2 350.422 2.331 20 30 FEEDLO CN(C)C(=O)c1cccc(NC(=O)C[N@@H+](C)Cc2cccc(C#N)c2)c1 ZINC000026330143 539783829 /nfs/dbraw/zinc/78/38/29/539783829.db2.gz MHSFGTWSGJFDOZ-UHFFFAOYSA-N 1 2 350.422 2.331 20 30 FEEDLO N#CCSCC(=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000041775681 540032595 /nfs/dbraw/zinc/03/25/95/540032595.db2.gz RSRNGLPQMKKDDJ-UHFFFAOYSA-N 1 2 353.875 2.120 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000045334297 540210096 /nfs/dbraw/zinc/21/00/96/540210096.db2.gz RXZXQMGYFQQJCE-LAUBAEHRSA-N 1 2 367.497 2.119 20 30 FEEDLO O=C(CN1CC[NH+](Cc2ccccc2)CC1)Nc1n[nH]c(C(F)(F)F)n1 ZINC000045571154 540217597 /nfs/dbraw/zinc/21/75/97/540217597.db2.gz XZNZZMHDGCAXFY-UHFFFAOYSA-N 1 2 368.363 2.229 20 30 FEEDLO C[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)Cc1ccc(C#N)cc1 ZINC000046529717 540261005 /nfs/dbraw/zinc/26/10/05/540261005.db2.gz RMXKDHKTQOZBOS-UHFFFAOYSA-N 1 2 350.378 2.488 20 30 FEEDLO C[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)Cc1ccc(C#N)cc1 ZINC000046529717 540261007 /nfs/dbraw/zinc/26/10/07/540261007.db2.gz RMXKDHKTQOZBOS-UHFFFAOYSA-N 1 2 350.378 2.488 20 30 FEEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)c2cc(-c3cccs3)on2)c1C#N ZINC000534792247 540413443 /nfs/dbraw/zinc/41/34/43/540413443.db2.gz KMCIXTSVQANPNS-UHFFFAOYSA-N 1 2 356.411 2.402 20 30 FEEDLO CCN(C[C@@H](C)C#N)C(=O)CN1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000051211555 540426742 /nfs/dbraw/zinc/42/67/42/540426742.db2.gz FIXWZDNHHPNUDM-VQFGERMISA-N 1 2 354.498 2.326 20 30 FEEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCN(C/C=C/c2ccccc2)CC1 ZINC000051211555 540426745 /nfs/dbraw/zinc/42/67/45/540426745.db2.gz FIXWZDNHHPNUDM-VQFGERMISA-N 1 2 354.498 2.326 20 30 FEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000052409180 540464981 /nfs/dbraw/zinc/46/49/81/540464981.db2.gz YVZQBOGLFJOXHX-GOSISDBHSA-N 1 2 367.497 2.074 20 30 FEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000052409180 540464984 /nfs/dbraw/zinc/46/49/84/540464984.db2.gz YVZQBOGLFJOXHX-GOSISDBHSA-N 1 2 367.497 2.074 20 30 FEEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](C(=O)NCC3CC3)C2)c(C#N)c1C ZINC000052931370 540500217 /nfs/dbraw/zinc/50/02/17/540500217.db2.gz FKZBCVVJVNLDME-CJNGLKHVSA-N 1 2 372.469 2.333 20 30 FEEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](C(=O)NCC3CC3)C2)c(C#N)c1C ZINC000052931370 540500218 /nfs/dbraw/zinc/50/02/18/540500218.db2.gz FKZBCVVJVNLDME-CJNGLKHVSA-N 1 2 372.469 2.333 20 30 FEEDLO N#Cc1ccsc1NC(=O)CC[NH+]1CCN(C(=O)c2ccsc2)CC1 ZINC000053323372 540525844 /nfs/dbraw/zinc/52/58/44/540525844.db2.gz HGUSEXXYWGDRQZ-UHFFFAOYSA-N 1 2 374.491 2.468 20 30 FEEDLO N#CC1(NC(=O)C[N@@H+]2CCCN(C(=O)c3ccsc3)CC2)CCCCC1 ZINC000054362115 540585298 /nfs/dbraw/zinc/58/52/98/540585298.db2.gz ODLYMFKQCAKJRW-UHFFFAOYSA-N 1 2 374.510 2.239 20 30 FEEDLO N#CC1(NC(=O)C[N@H+]2CCCN(C(=O)c3ccsc3)CC2)CCCCC1 ZINC000054362115 540585300 /nfs/dbraw/zinc/58/53/00/540585300.db2.gz ODLYMFKQCAKJRW-UHFFFAOYSA-N 1 2 374.510 2.239 20 30 FEEDLO C[C@H]1CCCC[C@H]1N(C)C(=O)C[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000060480409 541114155 /nfs/dbraw/zinc/11/41/55/541114155.db2.gz VNYPQZXSCAANPW-FUHWJXTLSA-N 1 2 355.486 2.112 20 30 FEEDLO C=CCN(Cc1cccs1)C(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000060935080 541123108 /nfs/dbraw/zinc/12/31/08/541123108.db2.gz KOGAAIRINSYAQW-UHFFFAOYSA-N 1 2 356.495 2.480 20 30 FEEDLO COCC[N@H+](CC(=O)NCc1ccccc1F)Cc1ccc(C#N)cc1 ZINC000063754206 541183590 /nfs/dbraw/zinc/18/35/90/541183590.db2.gz PANSHNUSBASHHF-UHFFFAOYSA-N 1 2 355.413 2.462 20 30 FEEDLO COCC[N@@H+](CC(=O)NCc1ccccc1F)Cc1ccc(C#N)cc1 ZINC000063754206 541183592 /nfs/dbraw/zinc/18/35/92/541183592.db2.gz PANSHNUSBASHHF-UHFFFAOYSA-N 1 2 355.413 2.462 20 30 FEEDLO N#Cc1cccnc1N1CCC[N@@H+](CC(=O)Nc2ccc(F)c(F)c2)CC1 ZINC000064634449 541213999 /nfs/dbraw/zinc/21/39/99/541213999.db2.gz XVZBXRNEFSFURP-UHFFFAOYSA-N 1 2 371.391 2.382 20 30 FEEDLO N#Cc1cccnc1N1CCC[N@H+](CC(=O)Nc2ccc(F)c(F)c2)CC1 ZINC000064634449 541214003 /nfs/dbraw/zinc/21/40/03/541214003.db2.gz XVZBXRNEFSFURP-UHFFFAOYSA-N 1 2 371.391 2.382 20 30 FEEDLO C[C@@H]1CCC[C@@H](NC(=O)C[NH+]2CCN(Cc3ccccc3C#N)CC2)C1 ZINC000066566625 541338283 /nfs/dbraw/zinc/33/82/83/541338283.db2.gz SWAYFGFOGRFOIV-YLJYHZDGSA-N 1 2 354.498 2.371 20 30 FEEDLO Cc1cccc2[nH+]c(CNC(=O)CCc3c(C)[nH]c(=O)c(C#N)c3C)cn21 ZINC000068570353 541610842 /nfs/dbraw/zinc/61/08/42/541610842.db2.gz JGFPYLSTBZTFIE-UHFFFAOYSA-N 1 2 363.421 2.069 20 30 FEEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000069078437 541654539 /nfs/dbraw/zinc/65/45/39/541654539.db2.gz FDLIEFZZGHQFEI-GOEBONIOSA-N 1 2 370.432 2.251 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1cccc(-n2cccc2)c1 ZINC000070920646 541752029 /nfs/dbraw/zinc/75/20/29/541752029.db2.gz RRTYKDXPRPNQPL-UHFFFAOYSA-N 1 2 352.438 2.165 20 30 FEEDLO CCN(C[C@@H](C)C#N)C(=O)CN(C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000072774229 541862873 /nfs/dbraw/zinc/86/28/73/541862873.db2.gz GOKCTVRSRKTDRV-KRWDZBQOSA-N 1 2 353.470 2.371 20 30 FEEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1CC(=O)N1CCC2(CC1)OCCO2 ZINC000072898248 541890190 /nfs/dbraw/zinc/89/01/90/541890190.db2.gz IJZIWQONYLNCHN-RBUKOAKNSA-N 1 2 369.465 2.124 20 30 FEEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1CC(=O)N1CCC2(CC1)OCCO2 ZINC000072898248 541890195 /nfs/dbraw/zinc/89/01/95/541890195.db2.gz IJZIWQONYLNCHN-RBUKOAKNSA-N 1 2 369.465 2.124 20 30 FEEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CC(=O)N1CCC2(CC1)OCCO2 ZINC000072898247 541891023 /nfs/dbraw/zinc/89/10/23/541891023.db2.gz IJZIWQONYLNCHN-RTBURBONSA-N 1 2 369.465 2.124 20 30 FEEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1CC(=O)N1CCC2(CC1)OCCO2 ZINC000072898247 541891026 /nfs/dbraw/zinc/89/10/26/541891026.db2.gz IJZIWQONYLNCHN-RTBURBONSA-N 1 2 369.465 2.124 20 30 FEEDLO C=CC[NH+](CC=C)Cc1nc2cc(S(=O)(=O)N(C)C)ccc2n1CC ZINC000072938901 541895006 /nfs/dbraw/zinc/89/50/06/541895006.db2.gz MCFKLTNZEPZJLP-UHFFFAOYSA-N 1 2 362.499 2.481 20 30 FEEDLO CC(C)C(=O)NC1CC[NH+](Cc2nnc(-c3cccc(C#N)c3)o2)CC1 ZINC000075626906 542193049 /nfs/dbraw/zinc/19/30/49/542193049.db2.gz ZBQPTEHCWXXYKA-UHFFFAOYSA-N 1 2 353.426 2.345 20 30 FEEDLO CN(CC(=O)N[C@](C)(C#N)C1CC1)Cc1[nH+]ccn1Cc1ccccc1 ZINC000075914987 542215816 /nfs/dbraw/zinc/21/58/16/542215816.db2.gz GDNSVOVVIGOAPX-HXUWFJFHSA-N 1 2 351.454 2.172 20 30 FEEDLO Cc1nsc(N2CCC[N@@H+]([C@@H](C)C(=O)Nc3ccccc3C#N)CC2)n1 ZINC000075967852 542220827 /nfs/dbraw/zinc/22/08/27/542220827.db2.gz JIAAXSVWWDZELH-ZDUSSCGKSA-N 1 2 370.482 2.258 20 30 FEEDLO Cc1nsc(N2CCC[N@H+]([C@@H](C)C(=O)Nc3ccccc3C#N)CC2)n1 ZINC000075967852 542220829 /nfs/dbraw/zinc/22/08/29/542220829.db2.gz JIAAXSVWWDZELH-ZDUSSCGKSA-N 1 2 370.482 2.258 20 30 FEEDLO C[N@@H+](Cc1nccn1C(F)F)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000076647772 542305051 /nfs/dbraw/zinc/30/50/51/542305051.db2.gz WTKHYZPPJFBHMI-AWEZNQCLSA-N 1 2 350.369 2.216 20 30 FEEDLO C[N@H+](Cc1nccn1C(F)F)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000076647772 542305053 /nfs/dbraw/zinc/30/50/53/542305053.db2.gz WTKHYZPPJFBHMI-AWEZNQCLSA-N 1 2 350.369 2.216 20 30 FEEDLO C[C@H](C#N)OCC[NH+]1CCN([C@@H](C)c2nc(-c3cccs3)no2)CC1 ZINC000801919463 674155050 /nfs/dbraw/zinc/15/50/50/674155050.db2.gz FWORCDXNDVJDOI-KGLIPLIRSA-N 1 2 361.471 2.405 20 30 FEEDLO CCOc1cc(C)ccc1NC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000080169784 542571563 /nfs/dbraw/zinc/57/15/63/542571563.db2.gz CXJKJUMTXNGQPH-UHFFFAOYSA-N 1 2 360.458 2.474 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@H](Oc3ccccc3)C2)cc1 ZINC000081513509 542661884 /nfs/dbraw/zinc/66/18/84/542661884.db2.gz OLIHVQGVWFIJNU-SFHVURJKSA-N 1 2 356.447 2.485 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@H](Oc3ccccc3)C2)cc1 ZINC000081513509 542661886 /nfs/dbraw/zinc/66/18/86/542661886.db2.gz OLIHVQGVWFIJNU-SFHVURJKSA-N 1 2 356.447 2.485 20 30 FEEDLO Cc1cccc(CNC(=O)C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)c1 ZINC000088524877 542753151 /nfs/dbraw/zinc/75/31/51/542753151.db2.gz ZDBPJHRIWIZLLY-NRFANRHFSA-N 1 2 362.477 2.494 20 30 FEEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCN(c2ccc(O)cc2)CC1 ZINC000021822692 132373891 /nfs/dbraw/zinc/37/38/91/132373891.db2.gz GBBGXWKAELDONQ-INIZCTEOSA-N 1 2 356.470 2.245 20 30 FEEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCCC3(C2)OCCO3)cc1 ZINC000090562859 542786416 /nfs/dbraw/zinc/78/64/16/542786416.db2.gz LTBWKUKWUHEKJX-KRWDZBQOSA-N 1 2 357.454 2.469 20 30 FEEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CCCC3(C2)OCCO3)cc1 ZINC000090562859 542786418 /nfs/dbraw/zinc/78/64/18/542786418.db2.gz LTBWKUKWUHEKJX-KRWDZBQOSA-N 1 2 357.454 2.469 20 30 FEEDLO O=C(C[N@@H+]1CCOC[C@@H]1C1CC1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000090007723 542780732 /nfs/dbraw/zinc/78/07/32/542780732.db2.gz QTOPKKYYTDRZON-QGZVFWFLSA-N 1 2 366.383 2.284 20 30 FEEDLO O=C(C[N@H+]1CCOC[C@@H]1C1CC1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000090007723 542780734 /nfs/dbraw/zinc/78/07/34/542780734.db2.gz QTOPKKYYTDRZON-QGZVFWFLSA-N 1 2 366.383 2.284 20 30 FEEDLO CC(=O)N(C)C1CC[NH+](Cc2c(C#N)c(C)nn2-c2ccccc2)CC1 ZINC000091068217 542792999 /nfs/dbraw/zinc/79/29/99/542792999.db2.gz IXBWXXJFIIWEJG-UHFFFAOYSA-N 1 2 351.454 2.495 20 30 FEEDLO C=CC[N@@H+](Cc1ccc(OC)c(OC(F)F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000092361334 542859578 /nfs/dbraw/zinc/85/95/78/542859578.db2.gz SNJBWPRUBRRGSY-ZDUSSCGKSA-N 1 2 361.410 2.472 20 30 FEEDLO C=CC[N@H+](Cc1ccc(OC)c(OC(F)F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000092361334 542859581 /nfs/dbraw/zinc/85/95/81/542859581.db2.gz SNJBWPRUBRRGSY-ZDUSSCGKSA-N 1 2 361.410 2.472 20 30 FEEDLO Cc1ccc(N(CCC#N)C(=O)C[N@@H+](C)C2(C(N)=O)CCCC2)cc1C ZINC000093212619 542918126 /nfs/dbraw/zinc/91/81/26/542918126.db2.gz BCGZOHVUBGMDSW-UHFFFAOYSA-N 1 2 356.470 2.280 20 30 FEEDLO Cc1ccc(N(CCC#N)C(=O)C[N@H+](C)C2(C(N)=O)CCCC2)cc1C ZINC000093212619 542918130 /nfs/dbraw/zinc/91/81/30/542918130.db2.gz BCGZOHVUBGMDSW-UHFFFAOYSA-N 1 2 356.470 2.280 20 30 FEEDLO COc1ccc(C[NH+]2CCN(c3cnccc3C#N)CC2)c(OC)c1OC ZINC000094132670 542953523 /nfs/dbraw/zinc/95/35/23/542953523.db2.gz VQYNCSMHCBDGLD-UHFFFAOYSA-N 1 2 368.437 2.301 20 30 FEEDLO C=CCn1c(SC[C@@H](O)C[NH+]2CCOCC2)nnc1-c1cccc(C)c1 ZINC000102663155 543077513 /nfs/dbraw/zinc/07/75/13/543077513.db2.gz QWDOWKASJSEQEO-KRWDZBQOSA-N 1 2 374.510 2.225 20 30 FEEDLO C=CCc1cc(C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)cc(OC)c1OC ZINC000104593901 543135354 /nfs/dbraw/zinc/13/53/54/543135354.db2.gz ITMAQFVAQRLFFZ-HUUCEWRRSA-N 1 2 362.470 2.271 20 30 FEEDLO C[C@@H](NC(=O)Nc1cc(C#N)ccc1OC(F)F)[C@@H](C)[NH+]1CCOCC1 ZINC000105036503 543155850 /nfs/dbraw/zinc/15/58/50/543155850.db2.gz MFEWXTJFNSLGSU-VXGBXAGGSA-N 1 2 368.384 2.390 20 30 FEEDLO N#Cc1ccsc1C(=O)N(CCC[NH+]1CCOCC1)Cc1ccncc1 ZINC000106772581 543246145 /nfs/dbraw/zinc/24/61/45/543246145.db2.gz GBCCOMVSUKGZOS-UHFFFAOYSA-N 1 2 370.478 2.379 20 30 FEEDLO CC(C)(C)OC(=O)N[C@H]1CC[N@@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000106869467 543251760 /nfs/dbraw/zinc/25/17/60/543251760.db2.gz QDSYMQALGYVSOR-DOTOQJQBSA-N 1 2 370.453 2.263 20 30 FEEDLO CC(C)(C)OC(=O)N[C@H]1CC[N@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000106869467 543251761 /nfs/dbraw/zinc/25/17/61/543251761.db2.gz QDSYMQALGYVSOR-DOTOQJQBSA-N 1 2 370.453 2.263 20 30 FEEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000109035705 543311584 /nfs/dbraw/zinc/31/15/84/543311584.db2.gz HBJMCWFSFFGEES-AWEZNQCLSA-N 1 2 372.494 2.326 20 30 FEEDLO NC(CN1CCOCC1)=[NH+]OCc1ncc(-c2cccc(Cl)c2)o1 ZINC000111182240 543384124 /nfs/dbraw/zinc/38/41/24/543384124.db2.gz IWFZWPWEEGLXNP-UHFFFAOYSA-N 1 2 350.806 2.116 20 30 FEEDLO N#CCCCS(=O)(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000111351255 543398641 /nfs/dbraw/zinc/39/86/41/543398641.db2.gz REUJMYYIVOHRLN-CYBMUJFWSA-N 1 2 357.426 2.152 20 30 FEEDLO N#CCCCS(=O)(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000111351255 543398643 /nfs/dbraw/zinc/39/86/43/543398643.db2.gz REUJMYYIVOHRLN-CYBMUJFWSA-N 1 2 357.426 2.152 20 30 FEEDLO N#Cc1ccccc1CN1CC[NH+]([C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000112705536 543458788 /nfs/dbraw/zinc/45/87/88/543458788.db2.gz BZSFSJHCGCACBB-OAQYLSRUSA-N 1 2 360.461 2.481 20 30 FEEDLO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCC[C@@H]1C(=O)Nc1nccs1 ZINC000114194594 543507572 /nfs/dbraw/zinc/50/75/72/543507572.db2.gz GMOLFUNBOXFVFV-OAHLLOKOSA-N 1 2 369.450 2.446 20 30 FEEDLO N#Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@@H]1C(=O)Nc1nccs1 ZINC000114194594 543507573 /nfs/dbraw/zinc/50/75/73/543507573.db2.gz GMOLFUNBOXFVFV-OAHLLOKOSA-N 1 2 369.450 2.446 20 30 FEEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)[C@H](C)C(=O)NCCc2cccs2)c1 ZINC000114715122 543531255 /nfs/dbraw/zinc/53/12/55/543531255.db2.gz KHAJQSUWMHKIGH-OAHLLOKOSA-N 1 2 369.490 2.347 20 30 FEEDLO C#Cc1cccc(NC(=O)C[N@H+](C)[C@H](C)C(=O)NCCc2cccs2)c1 ZINC000114715122 543531257 /nfs/dbraw/zinc/53/12/57/543531257.db2.gz KHAJQSUWMHKIGH-OAHLLOKOSA-N 1 2 369.490 2.347 20 30 FEEDLO N#CC1(c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)CCOCC1 ZINC000115178946 543553630 /nfs/dbraw/zinc/55/36/30/543553630.db2.gz VRYBRLCOLQSDBH-UHFFFAOYSA-N 1 2 354.410 2.141 20 30 FEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000115570926 543574509 /nfs/dbraw/zinc/57/45/09/543574509.db2.gz XSTORIUFBYZCMF-FUHWJXTLSA-N 1 2 356.470 2.122 20 30 FEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000115570926 543574512 /nfs/dbraw/zinc/57/45/12/543574512.db2.gz XSTORIUFBYZCMF-FUHWJXTLSA-N 1 2 356.470 2.122 20 30 FEEDLO COCCN1CC[NH+](Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000120904261 543685845 /nfs/dbraw/zinc/68/58/45/543685845.db2.gz XLFBSSISTSJXTB-UHFFFAOYSA-N 1 2 353.470 2.228 20 30 FEEDLO Cc1cc[nH+]c(N2CCN([C@H]3CCN(c4ccc(C#N)cc4)C3=O)CC2)c1 ZINC000120064614 543674767 /nfs/dbraw/zinc/67/47/67/543674767.db2.gz HHYWUHLCQYEKTO-IBGZPJMESA-N 1 2 361.449 2.189 20 30 FEEDLO CCc1noc([C@@H](C)O[NH+]=C(N)c2ccc(-n3nc(C)cc3C)nc2)n1 ZINC000123441650 543761960 /nfs/dbraw/zinc/76/19/60/543761960.db2.gz XFRIOFNZOCISDI-GFCCVEGCSA-N 1 2 355.402 2.228 20 30 FEEDLO C[N@H+](CCNS(=O)(=O)c1c(F)cc(C#N)cc1F)Cc1ccccc1 ZINC000124438505 543821584 /nfs/dbraw/zinc/82/15/84/543821584.db2.gz SLWWRNBUQLYCJU-UHFFFAOYSA-N 1 2 365.405 2.247 20 30 FEEDLO C[N@@H+](CCNS(=O)(=O)c1c(F)cc(C#N)cc1F)Cc1ccccc1 ZINC000124438505 543821586 /nfs/dbraw/zinc/82/15/86/543821586.db2.gz SLWWRNBUQLYCJU-UHFFFAOYSA-N 1 2 365.405 2.247 20 30 FEEDLO C[NH+](C)[C@H](CNS(=O)(=O)c1c(F)cc(C#N)cc1F)c1ccccc1 ZINC000123983671 543795004 /nfs/dbraw/zinc/79/50/04/543795004.db2.gz YRZKRYJMPRIEQT-MRXNPFEDSA-N 1 2 365.405 2.418 20 30 FEEDLO CSc1[nH]c(=O)c(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1C#N ZINC000127647245 544005723 /nfs/dbraw/zinc/00/57/23/544005723.db2.gz VECSJJDYYMESFD-WBMJQRKESA-N 1 2 372.494 2.057 20 30 FEEDLO CSc1[nH]c(=O)c(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1C#N ZINC000127647245 544005725 /nfs/dbraw/zinc/00/57/25/544005725.db2.gz VECSJJDYYMESFD-WBMJQRKESA-N 1 2 372.494 2.057 20 30 FEEDLO C[C@@H]1CCC[C@@H](NC(=O)CN2CC[NH+](Cc3ccc(C#N)s3)CC2)C1 ZINC000131286003 544183788 /nfs/dbraw/zinc/18/37/88/544183788.db2.gz RMLXGGAMMBQSJD-HZPDHXFCSA-N 1 2 360.527 2.432 20 30 FEEDLO Cc1ccc(C[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)c(O[C@H]2CCOC2)c1 ZINC000131009399 544174082 /nfs/dbraw/zinc/17/40/82/544174082.db2.gz JKIMAQOWMYAYEB-ICSRJNTNSA-N 1 2 365.433 2.351 20 30 FEEDLO Cn1cc(C#N)cc1C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000133448208 544270334 /nfs/dbraw/zinc/27/03/34/544270334.db2.gz UGNGSTJYTMSLIK-ZWKOTPCHSA-N 1 2 372.856 2.352 20 30 FEEDLO Cn1cc(C#N)cc1C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000133448208 544270337 /nfs/dbraw/zinc/27/03/37/544270337.db2.gz UGNGSTJYTMSLIK-ZWKOTPCHSA-N 1 2 372.856 2.352 20 30 FEEDLO CC(C)NS(=O)(=O)[C@@H]1CC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000134357751 544304653 /nfs/dbraw/zinc/30/46/53/544304653.db2.gz UCTOQZYQOAXAJC-MRXNPFEDSA-N 1 2 374.428 2.459 20 30 FEEDLO CC(C)NS(=O)(=O)[C@@H]1CC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000134357751 544304655 /nfs/dbraw/zinc/30/46/55/544304655.db2.gz UCTOQZYQOAXAJC-MRXNPFEDSA-N 1 2 374.428 2.459 20 30 FEEDLO C=C(C)COCCNC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(OC)cc1 ZINC000135009500 544331027 /nfs/dbraw/zinc/33/10/27/544331027.db2.gz XYLFXYJVWYQGAC-QGZVFWFLSA-N 1 2 358.442 2.410 20 30 FEEDLO C=CCNc1ncc(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)s1 ZINC000136062715 544365676 /nfs/dbraw/zinc/36/56/76/544365676.db2.gz QRPTYKHMDXXJAW-INIZCTEOSA-N 1 2 372.494 2.372 20 30 FEEDLO C=CCNc1ncc(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)s1 ZINC000136062715 544365677 /nfs/dbraw/zinc/36/56/77/544365677.db2.gz QRPTYKHMDXXJAW-INIZCTEOSA-N 1 2 372.494 2.372 20 30 FEEDLO CC(=O)N(C)C1CC[NH+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000143661209 544423239 /nfs/dbraw/zinc/42/32/39/544423239.db2.gz AEJZBIUSXRNQQP-LBPRGKRZSA-N 1 2 374.510 2.378 20 30 FEEDLO C=CCn1c(=O)c2ccc(C(=O)N(C)[C@@H]3CCC[N@H+](C)C3)cc2[nH]c1=S ZINC000151122811 544508067 /nfs/dbraw/zinc/50/80/67/544508067.db2.gz GWIOSWWOTPLOGH-CQSZACIVSA-N 1 2 372.494 2.037 20 30 FEEDLO C=CCn1c(=O)c2ccc(C(=O)N(C)[C@@H]3CCC[N@@H+](C)C3)cc2[nH]c1=S ZINC000151122811 544508072 /nfs/dbraw/zinc/50/80/72/544508072.db2.gz GWIOSWWOTPLOGH-CQSZACIVSA-N 1 2 372.494 2.037 20 30 FEEDLO N#Cc1cc(Cl)ccc1S(=O)(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000151142833 544509605 /nfs/dbraw/zinc/50/96/05/544509605.db2.gz PEYIRMFVHLRJCB-OAHLLOKOSA-N 1 2 363.826 2.449 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1cccc(OC(F)(F)F)c1 ZINC000151228561 544519094 /nfs/dbraw/zinc/51/90/94/544519094.db2.gz JHPKAZFFEBHMNX-UHFFFAOYSA-N 1 2 371.359 2.273 20 30 FEEDLO CCC[C@@H]1C(=O)NCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000152465750 544657046 /nfs/dbraw/zinc/65/70/46/544657046.db2.gz MBGUANCGHGIAQC-CQSZACIVSA-N 1 2 360.483 2.038 20 30 FEEDLO CCC[C@@H]1C(=O)NCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000152465750 544657048 /nfs/dbraw/zinc/65/70/48/544657048.db2.gz MBGUANCGHGIAQC-CQSZACIVSA-N 1 2 360.483 2.038 20 30 FEEDLO C#CCSCCNC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1OC ZINC000154778407 544948699 /nfs/dbraw/zinc/94/86/99/544948699.db2.gz HKHCTGZEZJFFTQ-MRXNPFEDSA-N 1 2 358.467 2.184 20 30 FEEDLO COc1c(C)c[nH+]c(CN(C)C(=O)C(=O)Nc2cc(C#N)ccc2C)c1C ZINC000182712295 327785990 /nfs/dbraw/zinc/78/59/90/327785990.db2.gz BMKNFDCNVSUXHA-UHFFFAOYSA-N 1 2 366.421 2.484 20 30 FEEDLO COc1cc(C(=O)N2CC[NH+](Cc3cc(C#N)n(C)c3)CC2)ccc1C ZINC000191259267 328256861 /nfs/dbraw/zinc/25/68/61/328256861.db2.gz WKHNHVOCUZLDNV-UHFFFAOYSA-N 1 2 352.438 2.172 20 30 FEEDLO COCCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000192595650 328327497 /nfs/dbraw/zinc/32/74/97/328327497.db2.gz IINFNJXVHSEIEE-HXUWFJFHSA-N 1 2 371.481 2.177 20 30 FEEDLO COCCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000192595650 328327498 /nfs/dbraw/zinc/32/74/98/328327498.db2.gz IINFNJXVHSEIEE-HXUWFJFHSA-N 1 2 371.481 2.177 20 30 FEEDLO CCOC1CC(CNC(=O)Nc2cc(C#N)ccc2C)([NH+]2CCOCC2)C1 ZINC000193490882 328378319 /nfs/dbraw/zinc/37/83/19/328378319.db2.gz CZTYFBPLTJLQCC-UHFFFAOYSA-N 1 2 372.469 2.258 20 30 FEEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[NH+]1CCC(CC(=O)N2CCCC2)CC1 ZINC000083168678 325214135 /nfs/dbraw/zinc/21/41/35/325214135.db2.gz APWDUYXIHTWQTK-HXUWFJFHSA-N 1 2 369.465 2.497 20 30 FEEDLO N#Cc1csc(C[NH+]2CCN(CC(=O)N3CCc4ccccc43)CC2)c1 ZINC000091893394 325397870 /nfs/dbraw/zinc/39/78/70/325397870.db2.gz DLFDRJBSIJWIGI-UHFFFAOYSA-N 1 2 366.490 2.327 20 30 FEEDLO COc1ccc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@H]2C)cc1OC ZINC000091936785 325398834 /nfs/dbraw/zinc/39/88/34/325398834.db2.gz LVTRJZOLFQMUAI-CQSZACIVSA-N 1 2 353.426 2.076 20 30 FEEDLO COc1ccc(C[N@H+]2CCN(c3nccnc3C#N)C[C@H]2C)cc1OC ZINC000091936785 325398837 /nfs/dbraw/zinc/39/88/37/325398837.db2.gz LVTRJZOLFQMUAI-CQSZACIVSA-N 1 2 353.426 2.076 20 30 FEEDLO CCO[C@H](C)c1noc(CN2CC[NH+](Cc3cc(C#N)cs3)CC2)n1 ZINC000093753853 325447208 /nfs/dbraw/zinc/44/72/08/325447208.db2.gz VFFYMWKWLOAQMB-CYBMUJFWSA-N 1 2 361.471 2.418 20 30 FEEDLO CN(CC1CCCCC1)C(=O)C[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000101543794 325470547 /nfs/dbraw/zinc/47/05/47/325470547.db2.gz ZNTYGBBYNPXHFP-UHFFFAOYSA-N 1 2 355.486 2.114 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(Cc3cc(=O)n4ccsc4n3)CC2)s1 ZINC000121826525 326370486 /nfs/dbraw/zinc/37/04/86/326370486.db2.gz QXFDJKAVFKJODN-UHFFFAOYSA-N 1 2 371.491 2.007 20 30 FEEDLO N#Cc1csc(C[NH+]2CCN(Cc3nc4ccccc4c(=O)[nH]3)CC2)c1 ZINC000123534630 326435200 /nfs/dbraw/zinc/43/52/00/326435200.db2.gz OFBHTRMBOURWJL-UHFFFAOYSA-N 1 2 365.462 2.174 20 30 FEEDLO C[C@H]1CCN(C(=O)NCCOc2ccc(C#N)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000154006840 326748564 /nfs/dbraw/zinc/74/85/64/326748564.db2.gz ZJWCDVCGXHPZGH-YJBOKZPZSA-N 1 2 353.426 2.426 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)cn1 ZINC000170654965 327091453 /nfs/dbraw/zinc/09/14/53/327091453.db2.gz OBNJMPQJKXZRRM-MRXNPFEDSA-N 1 2 360.439 2.052 20 30 FEEDLO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)Cc3nnc[nH]3)sc2C1 ZINC000174817239 327353052 /nfs/dbraw/zinc/35/30/52/327353052.db2.gz AYGOGLBYQFPPHK-LLVKDONJSA-N 1 2 358.471 2.323 20 30 FEEDLO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+](C)Cc3nnc[nH]3)sc2C1 ZINC000174817239 327353053 /nfs/dbraw/zinc/35/30/53/327353053.db2.gz AYGOGLBYQFPPHK-LLVKDONJSA-N 1 2 358.471 2.323 20 30 FEEDLO N#Cc1ccc(OC[C@H](O)C[NH+]2CCN(c3cc(F)ccc3F)CC2)cc1 ZINC000175428467 327392395 /nfs/dbraw/zinc/39/23/95/327392395.db2.gz JWJYBWIUPDZUEV-QGZVFWFLSA-N 1 2 373.403 2.398 20 30 FEEDLO COC(=O)[C@H](NC[C@@H](CC(C)C)[NH+]1CCOCC1)c1cccc(C#N)c1 ZINC000176713931 327471578 /nfs/dbraw/zinc/47/15/78/327471578.db2.gz KFZSAGDEPLEULH-RTBURBONSA-N 1 2 359.470 2.109 20 30 FEEDLO N#Cc1ccc(SCC(=O)NCc2ccc[nH+]c2N2CCOCC2)cc1 ZINC000264003720 328983452 /nfs/dbraw/zinc/98/34/52/328983452.db2.gz LWSUCXXCRMRKPN-UHFFFAOYSA-N 1 2 368.462 2.198 20 30 FEEDLO COc1cc(C#N)ccc1OCC(=O)NCCCCNc1cccc[nH+]1 ZINC000264136445 328994015 /nfs/dbraw/zinc/99/40/15/328994015.db2.gz GWEAHNIGBCNNMT-UHFFFAOYSA-N 1 2 354.410 2.349 20 30 FEEDLO Cc1cccn2cc(CNC(=O)CCc3c(C)[nH]c(=O)c(C#N)c3C)[nH+]c12 ZINC000264799498 329062261 /nfs/dbraw/zinc/06/22/61/329062261.db2.gz YPVRCKHHAVSMSH-UHFFFAOYSA-N 1 2 363.421 2.481 20 30 FEEDLO Cn1ncc2c1nc[nH+]c2N1CCN(c2c(Cl)cccc2C#N)CC1 ZINC000266147071 329194817 /nfs/dbraw/zinc/19/48/17/329194817.db2.gz JDJLYCHPNUJUPK-UHFFFAOYSA-N 1 2 353.817 2.215 20 30 FEEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+]2CC[C@](C)(O)C2)c1C#N ZINC000267393543 329322452 /nfs/dbraw/zinc/32/24/52/329322452.db2.gz XLXIAFLVQHVTBH-NRFANRHFSA-N 1 2 366.465 2.420 20 30 FEEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+]2CC[C@](C)(O)C2)c1C#N ZINC000267393543 329322453 /nfs/dbraw/zinc/32/24/53/329322453.db2.gz XLXIAFLVQHVTBH-NRFANRHFSA-N 1 2 366.465 2.420 20 30 FEEDLO Cc1n[nH]c(C)c1[C@H](C)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000273163136 329842046 /nfs/dbraw/zinc/84/20/46/329842046.db2.gz ZOLDESKFXBRFCO-AWEZNQCLSA-N 1 2 351.454 2.346 20 30 FEEDLO Cn1cc[nH+]c1[C@@H]1CCCN1C(=O)c1ccc(-n2ncc(C#N)c2N)cc1 ZINC000371466962 330245609 /nfs/dbraw/zinc/24/56/09/330245609.db2.gz ULUURUSBPPGVKD-INIZCTEOSA-N 1 2 361.409 2.037 20 30 FEEDLO N#Cc1cc(Cl)ccc1S(=O)(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000156389613 545624138 /nfs/dbraw/zinc/62/41/38/545624138.db2.gz HHKGYCVMCFQRSX-UHFFFAOYSA-N 1 2 373.825 2.271 20 30 FEEDLO N#Cc1cc(F)ccc1S(=O)(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000156549193 545634977 /nfs/dbraw/zinc/63/49/77/545634977.db2.gz VFDYYVQEFJGMHE-UHFFFAOYSA-N 1 2 370.409 2.421 20 30 FEEDLO C=CCc1cc(C[N@H+](C2CC2)[C@H]2CCS(=O)(=O)C2)cc(OC)c1O ZINC000157028148 545689882 /nfs/dbraw/zinc/68/98/82/545689882.db2.gz AZVDMFOIRVKEQC-INIZCTEOSA-N 1 2 351.468 2.281 20 30 FEEDLO C=CCc1cc(C[N@@H+](C2CC2)[C@H]2CCS(=O)(=O)C2)cc(OC)c1O ZINC000157028148 545689886 /nfs/dbraw/zinc/68/98/86/545689886.db2.gz AZVDMFOIRVKEQC-INIZCTEOSA-N 1 2 351.468 2.281 20 30 FEEDLO CC(C)C(=O)NCC[N@H+](C)[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000157658123 545766943 /nfs/dbraw/zinc/76/69/43/545766943.db2.gz VJTPQHBQNJRWFQ-OAHLLOKOSA-N 1 2 362.449 2.165 20 30 FEEDLO CC(C)C(=O)NCC[N@@H+](C)[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000157658123 545766946 /nfs/dbraw/zinc/76/69/46/545766946.db2.gz VJTPQHBQNJRWFQ-OAHLLOKOSA-N 1 2 362.449 2.165 20 30 FEEDLO N#Cc1ccccc1N1CC[NH+]([C@@H]2CCCN(CC(F)(F)F)C2=O)CC1 ZINC000158010841 545811509 /nfs/dbraw/zinc/81/15/09/545811509.db2.gz VNTYALDBCFKWLU-MRXNPFEDSA-N 1 2 366.387 2.234 20 30 FEEDLO C[N@H+](Cc1ncccn1)[C@H]1CCN(C(=O)C2(c3cccc(C#N)c3)CC2)C1 ZINC000477904451 561156142 /nfs/dbraw/zinc/15/61/42/561156142.db2.gz PIQCNMFKPJZIEP-SFHVURJKSA-N 1 2 361.449 2.113 20 30 FEEDLO C[N@@H+](Cc1ncccn1)[C@H]1CCN(C(=O)C2(c3cccc(C#N)c3)CC2)C1 ZINC000477904451 561156143 /nfs/dbraw/zinc/15/61/43/561156143.db2.gz PIQCNMFKPJZIEP-SFHVURJKSA-N 1 2 361.449 2.113 20 30 FEEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000477930752 561156599 /nfs/dbraw/zinc/15/65/99/561156599.db2.gz LGNRMEFVBAOOHA-AWEZNQCLSA-N 1 2 369.387 2.077 20 30 FEEDLO C[C@H]1COCC[N@H+]1CCNC(=O)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000477930752 561156600 /nfs/dbraw/zinc/15/66/00/561156600.db2.gz LGNRMEFVBAOOHA-AWEZNQCLSA-N 1 2 369.387 2.077 20 30 FEEDLO N#CCCCOc1cccc(C[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)c1 ZINC000160986231 546089976 /nfs/dbraw/zinc/08/99/76/546089976.db2.gz UGTJBOPEOCURSV-IBGZPJMESA-N 1 2 357.454 2.192 20 30 FEEDLO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H]2C(=O)NC2CC2)cc1C ZINC000175230004 546308019 /nfs/dbraw/zinc/30/80/19/546308019.db2.gz OADHLUDXDQLYSJ-IBGZPJMESA-N 1 2 368.481 2.293 20 30 FEEDLO Cc1ccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@H]2C(=O)NC2CC2)cc1C ZINC000175230004 546308022 /nfs/dbraw/zinc/30/80/22/546308022.db2.gz OADHLUDXDQLYSJ-IBGZPJMESA-N 1 2 368.481 2.293 20 30 FEEDLO COCCOC1CC[NH+](CC(=O)Nc2sc(C)c(C)c2C#N)CC1 ZINC000177192023 546565924 /nfs/dbraw/zinc/56/59/24/546565924.db2.gz VSUBZFGVEXMQGK-UHFFFAOYSA-N 1 2 351.472 2.303 20 30 FEEDLO C[C@@]([NH2+]CC(=O)Nc1ccc(C#N)cc1)(C(N)=O)c1cccc(Cl)c1 ZINC000177394507 546608186 /nfs/dbraw/zinc/60/81/86/546608186.db2.gz MYBZIYIHCUQWQJ-SFHVURJKSA-N 1 2 356.813 2.140 20 30 FEEDLO N#Cc1csc(C(=O)NCc2ccccc2OCC[NH+]2CCOCC2)c1 ZINC000177443522 546620034 /nfs/dbraw/zinc/62/00/34/546620034.db2.gz RQZSMFOFZCTUOS-UHFFFAOYSA-N 1 2 371.462 2.261 20 30 FEEDLO CC(C)N1CC[C@H](O[NH+]=C(N)c2cccc(OCc3cccnc3)c2)C1=O ZINC000177571889 546647136 /nfs/dbraw/zinc/64/71/36/546647136.db2.gz ASIPOBJEHWGZOO-SFHVURJKSA-N 1 2 368.437 2.307 20 30 FEEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CC[C@@](C)(O)C2)c1C#N ZINC000177975711 546716579 /nfs/dbraw/zinc/71/65/79/546716579.db2.gz VSLHXTNFXJNBCL-LJQANCHMSA-N 1 2 356.426 2.013 20 30 FEEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CC[C@@](C)(O)C2)c1C#N ZINC000177975711 546716582 /nfs/dbraw/zinc/71/65/82/546716582.db2.gz VSLHXTNFXJNBCL-LJQANCHMSA-N 1 2 356.426 2.013 20 30 FEEDLO N#Cc1ccc(Oc2cccc(C(=O)NC[C@@H]3C[NH+]4CCN3CC4)c2)cc1 ZINC000178610154 546819172 /nfs/dbraw/zinc/81/91/72/546819172.db2.gz JVMUQBFDOLLYOY-GOSISDBHSA-N 1 2 362.433 2.080 20 30 FEEDLO C=C(C)[C@@H]([NH2+]CC(=O)NCC(=O)NC(C)(C)C)c1ccc(F)c(F)c1 ZINC000481617577 561237450 /nfs/dbraw/zinc/23/74/50/561237450.db2.gz UXZGSFZQHWOWIJ-QGZVFWFLSA-N 1 2 353.413 2.203 20 30 FEEDLO Cn1cc(C[N@@H+]2Cc3ccccc3C[C@H]2C(N)=O)c(-c2ccc(C#N)cc2)n1 ZINC000179888362 547024316 /nfs/dbraw/zinc/02/43/16/547024316.db2.gz YGKNLSIMNFYDLL-FQEVSTJZSA-N 1 2 371.444 2.371 20 30 FEEDLO Cn1cc(C[N@H+]2Cc3ccccc3C[C@H]2C(N)=O)c(-c2ccc(C#N)cc2)n1 ZINC000179888362 547024321 /nfs/dbraw/zinc/02/43/21/547024321.db2.gz YGKNLSIMNFYDLL-FQEVSTJZSA-N 1 2 371.444 2.371 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c(Cl)c1 ZINC000180202568 547067118 /nfs/dbraw/zinc/06/71/18/547067118.db2.gz CHZXGTATTIQIPS-ZDUSSCGKSA-N 1 2 362.842 2.164 20 30 FEEDLO CC#CCCNC(=O)N[C@@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1 ZINC000482647608 561257449 /nfs/dbraw/zinc/25/74/49/561257449.db2.gz ONAJSAYQCLEVIQ-QGZVFWFLSA-N 1 2 356.426 2.239 20 30 FEEDLO C[N@@H+]1CCO[C@H]([C@H](NC(=O)c2c[nH]c(C#N)c2)c2ccc(Cl)cc2)C1 ZINC000181373404 547302498 /nfs/dbraw/zinc/30/24/98/547302498.db2.gz VDKLHRHUFHHWSV-DLBZAZTESA-N 1 2 358.829 2.341 20 30 FEEDLO C[N@H+]1CCO[C@H]([C@H](NC(=O)c2c[nH]c(C#N)c2)c2ccc(Cl)cc2)C1 ZINC000181373404 547302500 /nfs/dbraw/zinc/30/25/00/547302500.db2.gz VDKLHRHUFHHWSV-DLBZAZTESA-N 1 2 358.829 2.341 20 30 FEEDLO C[N@H+](CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)Cc1ccco1 ZINC000182663240 547529110 /nfs/dbraw/zinc/52/91/10/547529110.db2.gz UECLGIQEKRBMEX-MRXNPFEDSA-N 1 2 358.467 2.182 20 30 FEEDLO C[N@@H+](CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)Cc1ccco1 ZINC000182663240 547529116 /nfs/dbraw/zinc/52/91/16/547529116.db2.gz UECLGIQEKRBMEX-MRXNPFEDSA-N 1 2 358.467 2.182 20 30 FEEDLO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCO[C@@H](COc3ccccc3)C2)cc1 ZINC000484541921 561299525 /nfs/dbraw/zinc/29/95/25/561299525.db2.gz GNYYQXGBNLJEDT-GHTZIAJQSA-N 1 2 368.433 2.078 20 30 FEEDLO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCO[C@@H](COc3ccccc3)C2)cc1 ZINC000484541921 561299526 /nfs/dbraw/zinc/29/95/26/561299526.db2.gz GNYYQXGBNLJEDT-GHTZIAJQSA-N 1 2 368.433 2.078 20 30 FEEDLO N#Cc1cc(NCCn2cc[nH+]c2)cc(NCCn2ccnc2)c1[N+](=O)[O-] ZINC000183719458 547706842 /nfs/dbraw/zinc/70/68/42/547706842.db2.gz SDXTXPZWLOMNOD-UHFFFAOYSA-N 1 2 366.385 2.084 20 30 FEEDLO N#Cc1cc(NCCn2ccnc2)cc(NCCn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000183719458 547706846 /nfs/dbraw/zinc/70/68/46/547706846.db2.gz SDXTXPZWLOMNOD-UHFFFAOYSA-N 1 2 366.385 2.084 20 30 FEEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000184583632 547849337 /nfs/dbraw/zinc/84/93/37/547849337.db2.gz ZQMIVEIUADAMAT-LIRRHRJNSA-N 1 2 357.433 2.246 20 30 FEEDLO COC[C@@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1ccco1 ZINC000184595244 547850835 /nfs/dbraw/zinc/85/08/35/547850835.db2.gz TZLXXKJPNAZADH-MRXNPFEDSA-N 1 2 365.393 2.253 20 30 FEEDLO C[C@@H]([NH2+]CC(=O)NC1(C#N)CCCCC1)c1cn(-c2ccccc2)nn1 ZINC000185462640 547987896 /nfs/dbraw/zinc/98/78/96/547987896.db2.gz RTXFQQTYGPOGKM-OAHLLOKOSA-N 1 2 352.442 2.261 20 30 FEEDLO C=C(C)C[C@@H](C)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000185542925 548000624 /nfs/dbraw/zinc/00/06/24/548000624.db2.gz SJEWBVPYEIMXPX-SJORKVTESA-N 1 2 373.501 2.001 20 30 FEEDLO C=C(C)C[C@@H](C)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000185542925 548000625 /nfs/dbraw/zinc/00/06/25/548000625.db2.gz SJEWBVPYEIMXPX-SJORKVTESA-N 1 2 373.501 2.001 20 30 FEEDLO C[C@@]1(C(N)=O)CCCC[N@@H+]1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000185932671 548060903 /nfs/dbraw/zinc/06/09/03/548060903.db2.gz RYELLUVXDXMZPM-SFHVURJKSA-N 1 2 362.861 2.317 20 30 FEEDLO C[C@@]1(C(N)=O)CCCC[N@H+]1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000185932671 548060905 /nfs/dbraw/zinc/06/09/05/548060905.db2.gz RYELLUVXDXMZPM-SFHVURJKSA-N 1 2 362.861 2.317 20 30 FEEDLO N#Cc1ccc(Cl)c(S(=O)(=O)NCc2cccnc2-n2cc[nH+]c2)c1 ZINC000186252062 548106481 /nfs/dbraw/zinc/10/64/81/548106481.db2.gz ZJLODBJVWLNPDV-UHFFFAOYSA-N 1 2 373.825 2.271 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@]3(C2)OCc2ccccc23)cc1 ZINC000186610497 548158901 /nfs/dbraw/zinc/15/89/01/548158901.db2.gz DBYZYHYOABJPKG-HXUWFJFHSA-N 1 2 368.458 2.463 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@]3(C2)OCc2ccccc23)cc1 ZINC000186610497 548158906 /nfs/dbraw/zinc/15/89/06/548158906.db2.gz DBYZYHYOABJPKG-HXUWFJFHSA-N 1 2 368.458 2.463 20 30 FEEDLO COc1cc(C)c(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1F ZINC000186814096 548198845 /nfs/dbraw/zinc/19/88/45/548198845.db2.gz HNEKNTQQSPUFLC-UHFFFAOYSA-N 1 2 364.421 2.223 20 30 FEEDLO CC[C@@H](CC#N)NC(=O)Nc1ccccc1C[NH+]1CCN(C(C)=O)CC1 ZINC000186872167 548208777 /nfs/dbraw/zinc/20/87/77/548208777.db2.gz NSENJLKXEXTUAT-KRWDZBQOSA-N 1 2 357.458 2.164 20 30 FEEDLO Cc1cc(N2CC[NH+]([C@H](C)C(=O)N(CCC#N)c3ccccc3)CC2)n[nH]1 ZINC000187162904 548252457 /nfs/dbraw/zinc/25/24/57/548252457.db2.gz CTKNYJWYFSNHRU-QGZVFWFLSA-N 1 2 366.469 2.176 20 30 FEEDLO C[C@@H]1CC[N@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)[C@H](C(N)=O)C1 ZINC000187436038 548256982 /nfs/dbraw/zinc/25/69/82/548256982.db2.gz RHQDMAFMNZPANL-CJNGLKHVSA-N 1 2 362.861 2.172 20 30 FEEDLO C[C@@H]1CC[N@@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)[C@H](C(N)=O)C1 ZINC000187436038 548256984 /nfs/dbraw/zinc/25/69/84/548256984.db2.gz RHQDMAFMNZPANL-CJNGLKHVSA-N 1 2 362.861 2.172 20 30 FEEDLO COCCN1CCC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)CC1=O ZINC000190785268 548333509 /nfs/dbraw/zinc/33/35/09/548333509.db2.gz ZLJGDIBKVZTSIV-UHFFFAOYSA-N 1 2 354.372 2.238 20 30 FEEDLO COCCN1CCC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)CC1=O ZINC000190785268 548333513 /nfs/dbraw/zinc/33/35/13/548333513.db2.gz ZLJGDIBKVZTSIV-UHFFFAOYSA-N 1 2 354.372 2.238 20 30 FEEDLO C=CCC1(C(=O)Nc2ccc(C(=O)NCC[NH+]3CCOCC3)cc2)CCC1 ZINC000191154014 548341458 /nfs/dbraw/zinc/34/14/58/548341458.db2.gz VLLZVTFYFNCYIL-UHFFFAOYSA-N 1 2 371.481 2.434 20 30 FEEDLO CC(C)(C#N)c1ccc(NC(=O)C(=O)NCCCNc2cccc[nH+]2)cc1 ZINC000193723941 548394296 /nfs/dbraw/zinc/39/42/96/548394296.db2.gz FGMIMTIYLVJWEX-UHFFFAOYSA-N 1 2 365.437 2.440 20 30 FEEDLO Cc1cc(C[NH+]2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)ccc1C#N ZINC000486792664 561356701 /nfs/dbraw/zinc/35/67/01/561356701.db2.gz VOIFHZIKYRQZOZ-SFHVURJKSA-N 1 2 354.498 2.385 20 30 FEEDLO Cc1cc(CN2CC[NH+](CC(=O)N3CCCC[C@@H]3C)CC2)ccc1C#N ZINC000486792664 561356702 /nfs/dbraw/zinc/35/67/02/561356702.db2.gz VOIFHZIKYRQZOZ-SFHVURJKSA-N 1 2 354.498 2.385 20 30 FEEDLO C=CCSCCNC(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000194565876 548499397 /nfs/dbraw/zinc/49/93/97/548499397.db2.gz RNXRCHJKXNRNTD-CQSZACIVSA-N 1 2 350.488 2.025 20 30 FEEDLO C[C@@H]1C[N@@H+](CCN(C)[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@H](C)O1 ZINC000195327212 548624770 /nfs/dbraw/zinc/62/47/70/548624770.db2.gz DHKKKNNZJHNAIH-FUHIMQAGSA-N 1 2 370.497 2.095 20 30 FEEDLO C[C@@H]1C[N@H+](CCN(C)[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@H](C)O1 ZINC000195327212 548624774 /nfs/dbraw/zinc/62/47/74/548624774.db2.gz DHKKKNNZJHNAIH-FUHIMQAGSA-N 1 2 370.497 2.095 20 30 FEEDLO Cc1cc(C[C@H](C)NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)[nH]n1 ZINC000487538535 561371560 /nfs/dbraw/zinc/37/15/60/561371560.db2.gz MWHDENZLMFFADK-HNNXBMFYSA-N 1 2 366.469 2.048 20 30 FEEDLO C=CCCC[C@H](C)NC(=O)C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000487757951 561375198 /nfs/dbraw/zinc/37/51/98/561375198.db2.gz VUQHPPDUJSZMDV-SFHVURJKSA-N 1 2 373.497 2.071 20 30 FEEDLO Cc1nc(N2CC[NH+](CC(=O)N[C@@H]3CCC[C@@H](C)C3)CC2)ccc1C#N ZINC000488069962 561382888 /nfs/dbraw/zinc/38/28/88/561382888.db2.gz OMRAAJLCAIFAEO-CRAIPNDOSA-N 1 2 355.486 2.079 20 30 FEEDLO CC[N@@H+](CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)C[C@@H](C)C#N ZINC000245856375 549005372 /nfs/dbraw/zinc/00/53/72/549005372.db2.gz HLSRAAZWFBMQNZ-QFBILLFUSA-N 1 2 371.460 2.016 20 30 FEEDLO CC[N@H+](CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)C[C@@H](C)C#N ZINC000245856375 549005375 /nfs/dbraw/zinc/00/53/75/549005375.db2.gz HLSRAAZWFBMQNZ-QFBILLFUSA-N 1 2 371.460 2.016 20 30 FEEDLO CCCC(=O)N[C@@H]1CCC[N@@H+]([C@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000246629044 549177963 /nfs/dbraw/zinc/17/79/63/549177963.db2.gz ZIGDBQQSZNRSMO-CABCVRRESA-N 1 2 360.483 2.106 20 30 FEEDLO CCCC(=O)N[C@@H]1CCC[N@H+]([C@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000246629044 549177967 /nfs/dbraw/zinc/17/79/67/549177967.db2.gz ZIGDBQQSZNRSMO-CABCVRRESA-N 1 2 360.483 2.106 20 30 FEEDLO C=CCn1cccc1C(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000488976917 561400775 /nfs/dbraw/zinc/40/07/75/561400775.db2.gz KMQCFEOLURFITM-IBGZPJMESA-N 1 2 353.466 2.347 20 30 FEEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000247069961 549276282 /nfs/dbraw/zinc/27/62/82/549276282.db2.gz IUSNOXQYMQLJRW-NZSAHSFTSA-N 1 2 357.454 2.202 20 30 FEEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000247069961 549276286 /nfs/dbraw/zinc/27/62/86/549276286.db2.gz IUSNOXQYMQLJRW-NZSAHSFTSA-N 1 2 357.454 2.202 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)NCC[N@@H+]2CCc3sccc3C2)cc1F ZINC000489108794 561403532 /nfs/dbraw/zinc/40/35/32/561403532.db2.gz OIYKEOXPGDOZTK-UHFFFAOYSA-N 1 2 365.455 2.095 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)NCC[N@H+]2CCc3sccc3C2)cc1F ZINC000489108794 561403533 /nfs/dbraw/zinc/40/35/33/561403533.db2.gz OIYKEOXPGDOZTK-UHFFFAOYSA-N 1 2 365.455 2.095 20 30 FEEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCO[C@H]([C@H]2CCCO2)C1 ZINC000247302814 549314584 /nfs/dbraw/zinc/31/45/84/549314584.db2.gz LNFWMMZDBPHYOE-VVJOJPPRSA-N 1 2 363.502 2.186 20 30 FEEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCO[C@H]([C@H]2CCCO2)C1 ZINC000247302814 549314585 /nfs/dbraw/zinc/31/45/85/549314585.db2.gz LNFWMMZDBPHYOE-VVJOJPPRSA-N 1 2 363.502 2.186 20 30 FEEDLO CC1CCC(N(C)C(=O)C[NH+]2CCN(c3ncccc3C#N)CC2)CC1 ZINC000248056933 549403961 /nfs/dbraw/zinc/40/39/61/549403961.db2.gz OTTFFZODNLOQCL-UHFFFAOYSA-N 1 2 355.486 2.112 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)[C@H]1CCN(c2ccccc2F)C1=O ZINC000489764001 561418495 /nfs/dbraw/zinc/41/84/95/561418495.db2.gz GSISNVRZVDNHST-CFLQYTFWSA-N 1 2 374.460 2.306 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)[C@H]1CCN(c2ccccc2F)C1=O ZINC000489764001 561418496 /nfs/dbraw/zinc/41/84/96/561418496.db2.gz GSISNVRZVDNHST-CFLQYTFWSA-N 1 2 374.460 2.306 20 30 FEEDLO CO[C@@H]1C[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC[C@H]1C ZINC000251657197 549649412 /nfs/dbraw/zinc/64/94/12/549649412.db2.gz HVLQNFJGTHEFCP-RHSMWYFYSA-N 1 2 353.426 2.039 20 30 FEEDLO CO[C@@H]1C[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC[C@H]1C ZINC000251657197 549649414 /nfs/dbraw/zinc/64/94/14/549649414.db2.gz HVLQNFJGTHEFCP-RHSMWYFYSA-N 1 2 353.426 2.039 20 30 FEEDLO C=CCCS(=O)(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000252735319 549678539 /nfs/dbraw/zinc/67/85/39/549678539.db2.gz JZEBJPWKOVDMCY-CVEARBPZSA-N 1 2 358.891 2.207 20 30 FEEDLO C=CCCS(=O)(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000252735319 549678542 /nfs/dbraw/zinc/67/85/42/549678542.db2.gz JZEBJPWKOVDMCY-CVEARBPZSA-N 1 2 358.891 2.207 20 30 FEEDLO N#Cc1ccc(OC2CCN(C(=O)NCCCn3cc[nH+]c3)CC2)cc1 ZINC000264153618 549985627 /nfs/dbraw/zinc/98/56/27/549985627.db2.gz ZQUKTXMRGYIMIA-UHFFFAOYSA-N 1 2 353.426 2.398 20 30 FEEDLO C=CCc1ccc(OC[C@@H](O)C[NH2+]C(C)(C)C(=O)OCC)c(OC)c1 ZINC000266012414 550016197 /nfs/dbraw/zinc/01/61/97/550016197.db2.gz SODTUAGESKANPX-HNNXBMFYSA-N 1 2 351.443 2.095 20 30 FEEDLO COc1ccccc1CN(C)C(=O)CO[NH+]=C(N)[C@H](C)OCC(C)C ZINC000266203511 550018401 /nfs/dbraw/zinc/01/84/01/550018401.db2.gz LVIYBKXFFJKXJJ-AWEZNQCLSA-N 1 2 351.447 2.004 20 30 FEEDLO COc1ccc(NC(=O)[C@H](C)O[NH+]=C(N)[C@@H](C)OCC(C)C)cc1OC ZINC000266225143 550018406 /nfs/dbraw/zinc/01/84/06/550018406.db2.gz SFZUKTUQMLPMDU-OLZOCXBDSA-N 1 2 367.446 2.381 20 30 FEEDLO COc1ccc(OC)c(NC(=O)[C@H](C)O[NH+]=C(N)[C@@H](C)OCC(C)C)c1 ZINC000266209789 550018444 /nfs/dbraw/zinc/01/84/44/550018444.db2.gz NRVFVSYDVQSIRS-OLZOCXBDSA-N 1 2 367.446 2.381 20 30 FEEDLO COC(=O)c1ccc(/C=C/C(=O)c2ccc(O)c(C[NH+]3CCOCC3)c2)[nH]1 ZINC000267595306 550033638 /nfs/dbraw/zinc/03/36/38/550033638.db2.gz NYTICFKWMPLPEM-QPJJXVBHSA-N 1 2 370.405 2.235 20 30 FEEDLO COc1ccc(C(N)=[NH+]OCC(=O)NCc2sccc2C)cc1OC ZINC000268673282 550102079 /nfs/dbraw/zinc/10/20/79/550102079.db2.gz VIGPBPIRGCLWKT-UHFFFAOYSA-N 1 2 363.439 2.027 20 30 FEEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000268986933 550141241 /nfs/dbraw/zinc/14/12/41/550141241.db2.gz UBNYQFQPQOOZSO-GJZGRUSLSA-N 1 2 351.859 2.356 20 30 FEEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000268986933 550141244 /nfs/dbraw/zinc/14/12/44/550141244.db2.gz UBNYQFQPQOOZSO-GJZGRUSLSA-N 1 2 351.859 2.356 20 30 FEEDLO CCOC(=O)C1(O)CC[NH+](CC#Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000269620539 550211454 /nfs/dbraw/zinc/21/14/54/550211454.db2.gz NODWLDZTWJZBIF-UHFFFAOYSA-N 1 2 371.355 2.327 20 30 FEEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H](N3CCCC3=O)C2)c1C ZINC000270999582 550330131 /nfs/dbraw/zinc/33/01/31/550330131.db2.gz YSBUPSPLOCXZDY-SFHVURJKSA-N 1 2 368.481 2.247 20 30 FEEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CC[C@H](N3CCCC3=O)C2)c1C ZINC000270999582 550330134 /nfs/dbraw/zinc/33/01/34/550330134.db2.gz YSBUPSPLOCXZDY-SFHVURJKSA-N 1 2 368.481 2.247 20 30 FEEDLO CN(C)c1ncc(C[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)cn1 ZINC000271202389 550352274 /nfs/dbraw/zinc/35/22/74/550352274.db2.gz QZZUHFDANAEUOX-UHFFFAOYSA-N 1 2 373.464 2.285 20 30 FEEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cnc([C@H]2CCCO2)s1 ZINC000271323935 550364962 /nfs/dbraw/zinc/36/49/62/550364962.db2.gz ZKNZAVQTYJLOMI-CZUORRHYSA-N 1 2 370.482 2.367 20 30 FEEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cnc([C@H]2CCCO2)s1 ZINC000271323935 550364963 /nfs/dbraw/zinc/36/49/63/550364963.db2.gz ZKNZAVQTYJLOMI-CZUORRHYSA-N 1 2 370.482 2.367 20 30 FEEDLO CN(CCC#N)C(=O)CC[NH2+][C@H](C(=O)OCc1ccccc1)C(C)(C)C ZINC000272092959 550422426 /nfs/dbraw/zinc/42/24/26/550422426.db2.gz LINCLRATNZAJTA-GOSISDBHSA-N 1 2 359.470 2.496 20 30 FEEDLO C=C(C)[C@@H](NC(=O)NC[C@H]1CN(C)CC[N@@H+]1C)c1ccc(F)c(F)c1 ZINC000274712173 550550320 /nfs/dbraw/zinc/55/03/20/550550320.db2.gz AVDPAPVUSAPBSY-WMLDXEAASA-N 1 2 352.429 2.127 20 30 FEEDLO C=C(C)[C@@H](NC(=O)NC[C@H]1CN(C)CC[N@H+]1C)c1ccc(F)c(F)c1 ZINC000274712173 550550321 /nfs/dbraw/zinc/55/03/21/550550321.db2.gz AVDPAPVUSAPBSY-WMLDXEAASA-N 1 2 352.429 2.127 20 30 FEEDLO C#CCC[NH+]1CCN(C(=O)c2cnccc2NC(=O)OC(C)(C)C)CC1 ZINC000275671330 550573366 /nfs/dbraw/zinc/57/33/66/550573366.db2.gz YYXMTEJBFDUOAS-UHFFFAOYSA-N 1 2 358.442 2.210 20 30 FEEDLO C[N@H+](Cc1nccs1)[C@H]1CC12CCN(C(=O)CSCC#N)CC2 ZINC000275752621 550574023 /nfs/dbraw/zinc/57/40/23/550574023.db2.gz QXYRXXYOKXQZBK-ZDUSSCGKSA-N 1 2 350.513 2.213 20 30 FEEDLO C[N@@H+](Cc1nccs1)[C@H]1CC12CCN(C(=O)CSCC#N)CC2 ZINC000275752621 550574024 /nfs/dbraw/zinc/57/40/24/550574024.db2.gz QXYRXXYOKXQZBK-ZDUSSCGKSA-N 1 2 350.513 2.213 20 30 FEEDLO C=CCCN(C)C(=O)CS(=O)(=O)Nc1ccc([NH+]2CCCCC2)cc1 ZINC000276114592 550576800 /nfs/dbraw/zinc/57/68/00/550576800.db2.gz AHYZNYZUIQKZKG-UHFFFAOYSA-N 1 2 365.499 2.453 20 30 FEEDLO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CC[C@@H](C)[S@@](=O)CC2)c(OC)c1 ZINC000277205936 550643534 /nfs/dbraw/zinc/64/35/34/550643534.db2.gz MYPZTGPYIORLBO-HMFAJSFMSA-N 1 2 367.511 2.006 20 30 FEEDLO C=CCc1ccc(OC[C@H](O)C[N@H+]2CC[C@@H](C)[S@@](=O)CC2)c(OC)c1 ZINC000277205936 550643537 /nfs/dbraw/zinc/64/35/37/550643537.db2.gz MYPZTGPYIORLBO-HMFAJSFMSA-N 1 2 367.511 2.006 20 30 FEEDLO C#CCn1ccc(CN(CC)C(=O)NCc2cc[nH+]c(N3CCCC3)c2)n1 ZINC000279164408 550860565 /nfs/dbraw/zinc/86/05/65/550860565.db2.gz DZVCZZJYYNJVCQ-UHFFFAOYSA-N 1 2 366.469 2.243 20 30 FEEDLO CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000279247117 550869498 /nfs/dbraw/zinc/86/94/98/550869498.db2.gz QPCLJOQBILUUKW-UHFFFAOYSA-N 1 2 368.441 2.183 20 30 FEEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+](C)[C@@H]1CCN(CC=C)C1=O ZINC000281243673 551077245 /nfs/dbraw/zinc/07/72/45/551077245.db2.gz GHJXTODHHMFZRD-DOTOQJQBSA-N 1 2 361.511 2.370 20 30 FEEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+](C)[C@@H]1CCN(CC=C)C1=O ZINC000281243673 551077247 /nfs/dbraw/zinc/07/72/47/551077247.db2.gz GHJXTODHHMFZRD-DOTOQJQBSA-N 1 2 361.511 2.370 20 30 FEEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1=O ZINC000281325877 551084891 /nfs/dbraw/zinc/08/48/91/551084891.db2.gz LPEPWZZZRXLILX-MUZJZNNISA-N 1 2 360.502 2.024 20 30 FEEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1=O ZINC000281325877 551084892 /nfs/dbraw/zinc/08/48/92/551084892.db2.gz LPEPWZZZRXLILX-MUZJZNNISA-N 1 2 360.502 2.024 20 30 FEEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)N[C@H](c2ccc(OC)cc2)C(C)C)C1=O ZINC000281327963 551085056 /nfs/dbraw/zinc/08/50/56/551085056.db2.gz LSLVYVJLCWMJMM-QUCCMNQESA-N 1 2 373.497 2.227 20 30 FEEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)N[C@H](c2ccc(OC)cc2)C(C)C)C1=O ZINC000281327963 551085057 /nfs/dbraw/zinc/08/50/57/551085057.db2.gz LSLVYVJLCWMJMM-QUCCMNQESA-N 1 2 373.497 2.227 20 30 FEEDLO N#Cc1ccc(-c2nnc(C[NH2+][C@@]3(CO)CCOc4ccccc43)o2)cc1 ZINC000281793705 551144343 /nfs/dbraw/zinc/14/43/43/551144343.db2.gz UUJRQCIJNAQSRL-HXUWFJFHSA-N 1 2 362.389 2.368 20 30 FEEDLO C#CC[NH+]1CCN(c2nnc(-c3ccccc3C)n2C[C@H]2CCCO2)CC1 ZINC000283194394 551326726 /nfs/dbraw/zinc/32/67/26/551326726.db2.gz AXBMBSHVKGJDKC-GOSISDBHSA-N 1 2 365.481 2.188 20 30 FEEDLO C[C@H](O[NH+]=C(N)[C@@H]1CCCO1)C(=O)Nc1ccc(Br)cc1 ZINC000283761907 551423502 /nfs/dbraw/zinc/42/35/02/551423502.db2.gz BAVKHWCARAWKGO-CABZTGNLSA-N 1 2 356.220 2.244 20 30 FEEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCO[C@]3(CCCOC3)C2)c1C ZINC000285178634 551716382 /nfs/dbraw/zinc/71/63/82/551716382.db2.gz BNFHXWBTWREXCN-OAQYLSRUSA-N 1 2 371.481 2.432 20 30 FEEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCO[C@]3(CCCOC3)C2)c1C ZINC000285178634 551716384 /nfs/dbraw/zinc/71/63/84/551716384.db2.gz BNFHXWBTWREXCN-OAQYLSRUSA-N 1 2 371.481 2.432 20 30 FEEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)C(C)(C)c1cc(F)cc(C#N)c1 ZINC000287619522 552026164 /nfs/dbraw/zinc/02/61/64/552026164.db2.gz ZCGHMPNBZAFIOG-KDOFPFPSSA-N 1 2 359.445 2.297 20 30 FEEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)C1=O ZINC000500021264 561564391 /nfs/dbraw/zinc/56/43/91/561564391.db2.gz VWVZVYBEYICIKO-OXJNMPFZSA-N 1 2 369.509 2.461 20 30 FEEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)C1=O ZINC000500021264 561564392 /nfs/dbraw/zinc/56/43/92/561564392.db2.gz VWVZVYBEYICIKO-OXJNMPFZSA-N 1 2 369.509 2.461 20 30 FEEDLO COC(=O)[C@@H]([N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1)C1(OC)CCC1 ZINC000289442997 552322390 /nfs/dbraw/zinc/32/23/90/552322390.db2.gz WQIJDJJXORWBGY-LJQANCHMSA-N 1 2 371.481 2.177 20 30 FEEDLO COC(=O)[C@@H]([N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1)C1(OC)CCC1 ZINC000289442997 552322391 /nfs/dbraw/zinc/32/23/91/552322391.db2.gz WQIJDJJXORWBGY-LJQANCHMSA-N 1 2 371.481 2.177 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[NH2+]C2(c3nccs3)CCCC2)nc1 ZINC000289781789 552377244 /nfs/dbraw/zinc/37/72/44/552377244.db2.gz JAIDQIMIFWCHOL-UHFFFAOYSA-N 1 2 362.480 2.243 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@H](n3cc(Cl)cn3)C2)cc1 ZINC000289922595 552399824 /nfs/dbraw/zinc/39/98/24/552399824.db2.gz ORBFCRPLKLLXGI-HNNXBMFYSA-N 1 2 364.858 2.129 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@H](n3cc(Cl)cn3)C2)cc1 ZINC000289922595 552399826 /nfs/dbraw/zinc/39/98/26/552399826.db2.gz ORBFCRPLKLLXGI-HNNXBMFYSA-N 1 2 364.858 2.129 20 30 FEEDLO N#Cc1cncc(S(=O)(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000290080632 552424017 /nfs/dbraw/zinc/42/40/17/552424017.db2.gz GYQOPYOBVFBUQQ-OAHLLOKOSA-N 1 2 371.466 2.054 20 30 FEEDLO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3cnnn3Cc3ccccc3)C2)nc1 ZINC000292817454 552761240 /nfs/dbraw/zinc/76/12/40/552761240.db2.gz PLVZRKSNWQWVCQ-IBGZPJMESA-N 1 2 360.421 2.246 20 30 FEEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3cnnn3Cc3ccccc3)C2)nc1 ZINC000292817454 552761242 /nfs/dbraw/zinc/76/12/42/552761242.db2.gz PLVZRKSNWQWVCQ-IBGZPJMESA-N 1 2 360.421 2.246 20 30 FEEDLO CCOC(=O)c1csc(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)n1 ZINC000293375976 552816972 /nfs/dbraw/zinc/81/69/72/552816972.db2.gz PIICQCWJMGWPRG-ZDUSSCGKSA-N 1 2 358.423 2.240 20 30 FEEDLO CCOC(=O)c1csc(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)n1 ZINC000293375976 552816973 /nfs/dbraw/zinc/81/69/73/552816973.db2.gz PIICQCWJMGWPRG-ZDUSSCGKSA-N 1 2 358.423 2.240 20 30 FEEDLO N#C[C@H]1CC[C@H]([NH+]2CCN(S(=O)(=O)c3ccc(F)c(F)c3F)CC2)C1 ZINC000293424065 552822311 /nfs/dbraw/zinc/82/23/11/552822311.db2.gz IXGNYROGBLKBSZ-RYUDHWBXSA-N 1 2 373.400 2.102 20 30 FEEDLO COCCN(Cc1ccc(C#N)cc1)C(=O)NCc1c[nH+]ccc1OC ZINC000294109413 552882602 /nfs/dbraw/zinc/88/26/02/552882602.db2.gz FBZKYOUIVDHTLO-UHFFFAOYSA-N 1 2 354.410 2.320 20 30 FEEDLO N#C[C@]1(C(=O)N2CCN(Cc3cn4ccccc4[nH+]3)CC2)CC12CCCC2 ZINC000294513385 552912203 /nfs/dbraw/zinc/91/22/03/552912203.db2.gz SQVZUNVPPRIHEZ-NRFANRHFSA-N 1 2 363.465 2.453 20 30 FEEDLO COc1cc[nH+]cc1CNC(=O)C(=O)Nc1cccc(OCCCC#N)c1 ZINC000294895560 552942129 /nfs/dbraw/zinc/94/21/29/552942129.db2.gz IXSLHQJJJBUWAO-UHFFFAOYSA-N 1 2 368.393 2.028 20 30 FEEDLO C[C@H](CNS(=O)(=O)CC(C)(C)CC#N)[N@@H+]1CCc2sccc2C1 ZINC000295173532 552966176 /nfs/dbraw/zinc/96/61/76/552966176.db2.gz HBYFNNKNTDDLQW-CYBMUJFWSA-N 1 2 355.529 2.354 20 30 FEEDLO C[C@H](CNS(=O)(=O)CC(C)(C)CC#N)[N@H+]1CCc2sccc2C1 ZINC000295173532 552966177 /nfs/dbraw/zinc/96/61/77/552966177.db2.gz HBYFNNKNTDDLQW-CYBMUJFWSA-N 1 2 355.529 2.354 20 30 FEEDLO N#Cc1cnc(Nc2ccc([NH+]3CCC(C(N)=O)CC3)cc2)c([N+](=O)[O-])c1 ZINC000295473509 553012702 /nfs/dbraw/zinc/01/27/02/553012702.db2.gz IVYAFFLWRVYRHP-UHFFFAOYSA-N 1 2 366.381 2.307 20 30 FEEDLO C#CC[C@]1(C(=O)NCc2[nH+]ccn2CC)CCCN1C(=O)OC(C)(C)C ZINC000295542635 553023090 /nfs/dbraw/zinc/02/30/90/553023090.db2.gz CUMUPVLBGJEIGB-LJQANCHMSA-N 1 2 360.458 2.312 20 30 FEEDLO COc1cc(C#N)ccc1OCC(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C ZINC000295915313 553075366 /nfs/dbraw/zinc/07/53/66/553075366.db2.gz OIAXMXCVRSIHFQ-QGZVFWFLSA-N 1 2 354.410 2.289 20 30 FEEDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)CC1(C)C ZINC000296101670 553104967 /nfs/dbraw/zinc/10/49/67/553104967.db2.gz LJNWGKZEWXPJLL-AWEZNQCLSA-N 1 2 371.828 2.493 20 30 FEEDLO CC[C@H](C)[C@@H](NC(=O)C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1)C(=O)OC ZINC000502555465 561620939 /nfs/dbraw/zinc/62/09/39/561620939.db2.gz XFJHKBKDZXRAMB-MGPUTAFESA-N 1 2 369.465 2.351 20 30 FEEDLO CC[C@H](C)[C@@H](NC(=O)C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1)C(=O)OC ZINC000502555465 561620940 /nfs/dbraw/zinc/62/09/40/561620940.db2.gz XFJHKBKDZXRAMB-MGPUTAFESA-N 1 2 369.465 2.351 20 30 FEEDLO C[C@@H]1CCN(S(=O)(=O)Cc2ccc(F)cc2C#N)C[C@H]1n1cc[nH+]c1 ZINC000296377230 553150189 /nfs/dbraw/zinc/15/01/89/553150189.db2.gz RUNYYQIMRUTTMA-CXAGYDPISA-N 1 2 362.430 2.307 20 30 FEEDLO C#CCOc1ccc(CNC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000296488917 553168442 /nfs/dbraw/zinc/16/84/42/553168442.db2.gz MWPKOFFEMLCAKH-KRWDZBQOSA-N 1 2 350.422 2.172 20 30 FEEDLO N#Cc1c(NCc2ccc(OCC[NH+]3CCOCC3)cc2)n[nH]c1C1CC1 ZINC000601125688 553350486 /nfs/dbraw/zinc/35/04/86/553350486.db2.gz ITHPHTBYDOCKOQ-UHFFFAOYSA-N 1 2 367.453 2.482 20 30 FEEDLO Cc1nc(C[N@@H+](C)[C@@H]2CCCN(C(=O)c3cscc3C#N)CC2)no1 ZINC000503317869 561639372 /nfs/dbraw/zinc/63/93/72/561639372.db2.gz PNWXJJAGOMRITK-CQSZACIVSA-N 1 2 359.455 2.438 20 30 FEEDLO Cc1nc(C[N@H+](C)[C@@H]2CCCN(C(=O)c3cscc3C#N)CC2)no1 ZINC000503317869 561639373 /nfs/dbraw/zinc/63/93/73/561639373.db2.gz PNWXJJAGOMRITK-CQSZACIVSA-N 1 2 359.455 2.438 20 30 FEEDLO COc1ccc(C(N)=[NH+]OCC(=O)NCCc2ccccc2C)cc1OC ZINC000298126742 553387686 /nfs/dbraw/zinc/38/76/86/553387686.db2.gz FTGOPODQBXQDDI-UHFFFAOYSA-N 1 2 371.437 2.008 20 30 FEEDLO COc1ccc(C(N)=[NH+]OCC(=O)N[C@H](C)c2ccccc2OC)cc1 ZINC000298750931 553468109 /nfs/dbraw/zinc/46/81/09/553468109.db2.gz KYKWHLJXOYZVEJ-CYBMUJFWSA-N 1 2 357.410 2.218 20 30 FEEDLO CC(C)C(=O)NC1CC[NH+](CC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000298774160 553471261 /nfs/dbraw/zinc/47/12/61/553471261.db2.gz UWXKQBYCEIJCQO-UHFFFAOYSA-N 1 2 362.861 2.387 20 30 FEEDLO COc1ccc(NC(=O)[C@@H](C)[NH+]2CCN(c3ccc(C#N)cn3)CC2)cc1 ZINC000299014383 553503440 /nfs/dbraw/zinc/50/34/40/553503440.db2.gz DTSUVFBYBHVUGN-OAHLLOKOSA-N 1 2 365.437 2.111 20 30 FEEDLO COc1cc(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)cc(OC)c1OC ZINC000299016522 553503816 /nfs/dbraw/zinc/50/38/16/553503816.db2.gz HHHFVEBWPFVGBF-UHFFFAOYSA-N 1 2 368.437 2.301 20 30 FEEDLO CSc1cccc(NC(=O)C[NH+]2CCN(c3ccc(C#N)cn3)CC2)c1 ZINC000299088194 553513879 /nfs/dbraw/zinc/51/38/79/553513879.db2.gz SVHCNXUEOTXOLP-UHFFFAOYSA-N 1 2 367.478 2.436 20 30 FEEDLO CC[N@H+](CC(=O)N(CCC#N)CCC#N)Cc1ccc(OC)cc1OC ZINC000299405032 553558779 /nfs/dbraw/zinc/55/87/79/553558779.db2.gz MZGQKNPIQUVCDK-UHFFFAOYSA-N 1 2 358.442 2.182 20 30 FEEDLO CC[N@@H+](CC(=O)N(CCC#N)CCC#N)Cc1ccc(OC)cc1OC ZINC000299405032 553558780 /nfs/dbraw/zinc/55/87/80/553558780.db2.gz MZGQKNPIQUVCDK-UHFFFAOYSA-N 1 2 358.442 2.182 20 30 FEEDLO CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000504076747 561652791 /nfs/dbraw/zinc/65/27/91/561652791.db2.gz OXLXICGSGPIFLB-FQEVSTJZSA-N 1 2 372.469 2.428 20 30 FEEDLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)c3ccc(C#N)o3)c2)CC1 ZINC000504167571 561653990 /nfs/dbraw/zinc/65/39/90/561653990.db2.gz GBCDWAQAWJTITB-UHFFFAOYSA-N 1 2 352.394 2.068 20 30 FEEDLO CC(C)OCc1ccc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1 ZINC000299554936 553580396 /nfs/dbraw/zinc/58/03/96/553580396.db2.gz UDJZJYSZCROHGO-UHFFFAOYSA-N 1 2 359.470 2.300 20 30 FEEDLO CC(C)NC(=O)C[NH+]1CCN(c2ccc(C(F)(F)F)cc2C#N)CC1 ZINC000301482277 553654771 /nfs/dbraw/zinc/65/47/71/553654771.db2.gz TVHLPNBHXPPFSB-UHFFFAOYSA-N 1 2 354.376 2.224 20 30 FEEDLO COc1ccc(C[NH+]2CCN(c3ccc(C#N)nc3)CC2)c(OC)c1OC ZINC000301592119 553664047 /nfs/dbraw/zinc/66/40/47/553664047.db2.gz QWSBHZZGFSWMHW-UHFFFAOYSA-N 1 2 368.437 2.301 20 30 FEEDLO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(c2cc(C#N)ccc2[N+](=O)[O-])CC1 ZINC000302188116 553709368 /nfs/dbraw/zinc/70/93/68/553709368.db2.gz ADSJGFIQGIWSLK-AWEZNQCLSA-N 1 2 371.441 2.036 20 30 FEEDLO N#Cc1cc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)ccc1F ZINC000310445192 553753147 /nfs/dbraw/zinc/75/31/47/553753147.db2.gz MZLZIZZNEOETMA-UHFFFAOYSA-N 1 2 359.426 2.204 20 30 FEEDLO C[C@@H]1CCC[C@@H]1NC(=O)N(C)C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1 ZINC000328692775 553808450 /nfs/dbraw/zinc/80/84/50/553808450.db2.gz FLDSAMRWTYUGMB-IWCQGFGOSA-N 1 2 351.470 2.367 20 30 FEEDLO C[C@@H]1CCC[C@@H]1NC(=O)N(C)C[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1 ZINC000328692775 553808451 /nfs/dbraw/zinc/80/84/51/553808451.db2.gz FLDSAMRWTYUGMB-IWCQGFGOSA-N 1 2 351.470 2.367 20 30 FEEDLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)c2c(C)nn(C)c2C)CC1 ZINC000328707515 553810334 /nfs/dbraw/zinc/81/03/34/553810334.db2.gz ZNGLDEXXXPSCNQ-UHFFFAOYSA-N 1 2 369.469 2.337 20 30 FEEDLO Cc1nn(C)c(C)c1C(=O)NC1(C(=O)N(C)Cc2[nH+]ccn2C)CCCC1 ZINC000328877285 553837383 /nfs/dbraw/zinc/83/73/83/553837383.db2.gz TYKNOQYPXSHSCY-UHFFFAOYSA-N 1 2 372.473 2.046 20 30 FEEDLO COCCC1(CNC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)CCCCC1 ZINC000328884492 553838655 /nfs/dbraw/zinc/83/86/55/553838655.db2.gz NWCSXBVLLAJVSK-IRXDYDNUSA-N 1 2 353.507 2.292 20 30 FEEDLO COCCC1(CNC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)CCCCC1 ZINC000328884492 553838656 /nfs/dbraw/zinc/83/86/56/553838656.db2.gz NWCSXBVLLAJVSK-IRXDYDNUSA-N 1 2 353.507 2.292 20 30 FEEDLO CC(C)(C)C1=CCN(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000328887621 553839146 /nfs/dbraw/zinc/83/91/46/553839146.db2.gz OSXOOWAZVQUWLU-UHFFFAOYSA-N 1 2 372.517 2.191 20 30 FEEDLO CN1CC[N@H+](C)[C@H](CNC(=O)NCc2ccc(OC3CCCC3)cc2)C1 ZINC000328901833 553842101 /nfs/dbraw/zinc/84/21/01/553842101.db2.gz ZOUGBHOJMVQWQX-QGZVFWFLSA-N 1 2 360.502 2.257 20 30 FEEDLO CN1CC[N@@H+](C)[C@H](CNC(=O)NCc2ccc(OC3CCCC3)cc2)C1 ZINC000328901833 553842102 /nfs/dbraw/zinc/84/21/02/553842102.db2.gz ZOUGBHOJMVQWQX-QGZVFWFLSA-N 1 2 360.502 2.257 20 30 FEEDLO O=C(C[N@H+]1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O)N[C@@H]1CCOc2ccccc21 ZINC000328953665 553852169 /nfs/dbraw/zinc/85/21/69/553852169.db2.gz IGRLLBRSSUSVGY-MLHJIOFPSA-N 1 2 360.454 2.329 20 30 FEEDLO O=C(C[N@@H+]1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O)N[C@@H]1CCOc2ccccc21 ZINC000328953665 553852170 /nfs/dbraw/zinc/85/21/70/553852170.db2.gz IGRLLBRSSUSVGY-MLHJIOFPSA-N 1 2 360.454 2.329 20 30 FEEDLO O=C(CC[N@@H+]1C[C@H](F)C[C@H]1C(=O)N1CCOCC1)Nc1cccc(F)c1 ZINC000328984681 553858686 /nfs/dbraw/zinc/85/86/86/553858686.db2.gz SWTFHIZYKHFKKH-ZBFHGGJFSA-N 1 2 367.396 2.075 20 30 FEEDLO O=C(CC[N@H+]1C[C@H](F)C[C@H]1C(=O)N1CCOCC1)Nc1cccc(F)c1 ZINC000328984681 553858687 /nfs/dbraw/zinc/85/86/87/553858687.db2.gz SWTFHIZYKHFKKH-ZBFHGGJFSA-N 1 2 367.396 2.075 20 30 FEEDLO CC[N@H+](C[C@@H](C)C#N)[C@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000506059889 561688948 /nfs/dbraw/zinc/68/89/48/561688948.db2.gz CDSOAJFCDNDEOV-GOEBONIOSA-N 1 2 369.469 2.293 20 30 FEEDLO CC[N@@H+](C[C@@H](C)C#N)[C@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000506059889 561688949 /nfs/dbraw/zinc/68/89/49/561688949.db2.gz CDSOAJFCDNDEOV-GOEBONIOSA-N 1 2 369.469 2.293 20 30 FEEDLO O=C(C[N@@H+]1CCO[C@]2(CCCOC2)C1)NCc1cnn(-c2ccccc2)c1 ZINC000329048303 553871209 /nfs/dbraw/zinc/87/12/09/553871209.db2.gz GIRBCPRIJATUNN-HXUWFJFHSA-N 1 2 370.453 2.210 20 30 FEEDLO O=C(C[N@H+]1CCO[C@]2(CCCOC2)C1)NCc1cnn(-c2ccccc2)c1 ZINC000329048303 553871210 /nfs/dbraw/zinc/87/12/10/553871210.db2.gz GIRBCPRIJATUNN-HXUWFJFHSA-N 1 2 370.453 2.210 20 30 FEEDLO CO[C@@H]1CCC[C@@H]1[C@@H]1COCCN1C(=O)NC[C@@H]1CCCn2cc[nH+]c21 ZINC000329084674 553877629 /nfs/dbraw/zinc/87/76/29/553877629.db2.gz TXGGXCBKWKUFQA-VVLHAWIVSA-N 1 2 362.474 2.190 20 30 FEEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)Nc3ccc4[nH]c(C(F)F)nc4c3)C[C@H]21 ZINC000329106957 553881313 /nfs/dbraw/zinc/88/13/13/553881313.db2.gz DQKAMRDPNSPWLD-CHWSQXEVSA-N 1 2 351.357 2.061 20 30 FEEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)Nc3ccc4[nH]c(C(F)F)nc4c3)C[C@H]21 ZINC000329106957 553881314 /nfs/dbraw/zinc/88/13/14/553881314.db2.gz DQKAMRDPNSPWLD-CHWSQXEVSA-N 1 2 351.357 2.061 20 30 FEEDLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)N[C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000329148181 553889811 /nfs/dbraw/zinc/88/98/11/553889811.db2.gz PNTHKIVXUYLANQ-APWZRJJASA-N 1 2 356.426 2.214 20 30 FEEDLO N#Cc1cccnc1N1CC[NH+](Cc2cnn(CC(F)(F)F)c2)CC1 ZINC000506261431 561694370 /nfs/dbraw/zinc/69/43/70/561694370.db2.gz HJEDJORIQRTSPE-UHFFFAOYSA-N 1 2 350.348 2.034 20 30 FEEDLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)N1CCOC[C@@H]1[C@H]1CCCO1 ZINC000329286709 553917875 /nfs/dbraw/zinc/91/78/75/553917875.db2.gz PKULMRIOBSZLHZ-QZTJIDSGSA-N 1 2 356.426 2.166 20 30 FEEDLO C[C@@H]1CCC[C@@H](NC(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)C1 ZINC000329308367 553922424 /nfs/dbraw/zinc/92/24/24/553922424.db2.gz ZSKAVDACEOJWHG-HUUCEWRRSA-N 1 2 359.474 2.374 20 30 FEEDLO CCO[C@@H]1C[C@H](NC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)[C@]12CCCO2 ZINC000329374131 553934381 /nfs/dbraw/zinc/93/43/81/553934381.db2.gz KCXNHVBTSRUQRN-IMBTUZDBSA-N 1 2 352.475 2.313 20 30 FEEDLO CCO[C@@H]1C[C@H](NC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)[C@]12CCCO2 ZINC000329374131 553934382 /nfs/dbraw/zinc/93/43/82/553934382.db2.gz KCXNHVBTSRUQRN-IMBTUZDBSA-N 1 2 352.475 2.313 20 30 FEEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)N1CCC(O)(C(F)(F)F)CC1)CCC2 ZINC000329409985 553941137 /nfs/dbraw/zinc/94/11/37/553941137.db2.gz XXMIMBAMPVOMTK-GFCCVEGCSA-N 1 2 360.380 2.372 20 30 FEEDLO Cc1nnc([C@@H]2CCC[N@H+](CC(=O)NC[C@@H]3COc4ccccc4O3)C2)[nH]1 ZINC000329418312 553943250 /nfs/dbraw/zinc/94/32/50/553943250.db2.gz DRXMCHDCKVAAOD-HUUCEWRRSA-N 1 2 371.441 2.089 20 30 FEEDLO Cc1nnc([C@@H]2CCC[N@@H+](CC(=O)NC[C@@H]3COc4ccccc4O3)C2)[nH]1 ZINC000329418312 553943252 /nfs/dbraw/zinc/94/32/52/553943252.db2.gz DRXMCHDCKVAAOD-HUUCEWRRSA-N 1 2 371.441 2.089 20 30 FEEDLO Cc1n[nH]c([C@@H]2CCC[N@H+](CC(=O)NC[C@@H]3COc4ccccc4O3)C2)n1 ZINC000329418312 553943254 /nfs/dbraw/zinc/94/32/54/553943254.db2.gz DRXMCHDCKVAAOD-HUUCEWRRSA-N 1 2 371.441 2.089 20 30 FEEDLO Cc1n[nH]c([C@@H]2CCC[N@@H+](CC(=O)NC[C@@H]3COc4ccccc4O3)C2)n1 ZINC000329418312 553943256 /nfs/dbraw/zinc/94/32/56/553943256.db2.gz DRXMCHDCKVAAOD-HUUCEWRRSA-N 1 2 371.441 2.089 20 30 FEEDLO C[C@@H]1C[C@H](C)CCN(C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)C1 ZINC000329443283 553947769 /nfs/dbraw/zinc/94/77/69/553947769.db2.gz NKPCMHREUGZKBU-HZPDHXFCSA-N 1 2 373.501 2.383 20 30 FEEDLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)N1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000329721010 553995241 /nfs/dbraw/zinc/99/52/41/553995241.db2.gz DTQBFONJZZGGFT-CZUORRHYSA-N 1 2 369.473 2.336 20 30 FEEDLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)N1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000329721010 553995243 /nfs/dbraw/zinc/99/52/43/553995243.db2.gz DTQBFONJZZGGFT-CZUORRHYSA-N 1 2 369.473 2.336 20 30 FEEDLO CC[C@H]1CCCCCN1C(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000329771496 554002846 /nfs/dbraw/zinc/00/28/46/554002846.db2.gz GVVBQTBHAUREJW-SFHVURJKSA-N 1 2 364.534 2.499 20 30 FEEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)c1cn(C3CCOCC3)nn1)C2 ZINC000329804354 554009017 /nfs/dbraw/zinc/00/90/17/554009017.db2.gz ZXSOQKGASDBJLM-CYBMUJFWSA-N 1 2 372.473 2.443 20 30 FEEDLO Cn1cc[nH+]c1[C@@H](NC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C)C1CC1 ZINC000507395058 561728047 /nfs/dbraw/zinc/72/80/47/561728047.db2.gz WHKDICFYFHJMOU-HNNXBMFYSA-N 1 2 368.441 2.054 20 30 FEEDLO Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNC(=O)NC[C@]1(C)CCCO1 ZINC000329899379 554027318 /nfs/dbraw/zinc/02/73/18/554027318.db2.gz FKXUCAQENAVPBG-MPGHIAIKSA-N 1 2 368.453 2.277 20 30 FEEDLO Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNC(=O)NC[C@]1(C)CCCO1 ZINC000329899379 554027319 /nfs/dbraw/zinc/02/73/19/554027319.db2.gz FKXUCAQENAVPBG-MPGHIAIKSA-N 1 2 368.453 2.277 20 30 FEEDLO CC(C)(C)C(=O)N1CCC[C@@H](C(=O)NCC2([NH+]3CCOCC3)CC2)C1 ZINC000329910152 554029486 /nfs/dbraw/zinc/02/94/86/554029486.db2.gz VQHNLHXPMGYOTF-OAHLLOKOSA-N 1 2 351.491 2.092 20 30 FEEDLO Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNC(=O)NC[C@H]1CCCCO1 ZINC000329929616 554033392 /nfs/dbraw/zinc/03/33/92/554033392.db2.gz YXMPLVMOMLBYFC-HRCADAONSA-N 1 2 368.453 2.277 20 30 FEEDLO Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNC(=O)NC[C@H]1CCCCO1 ZINC000329929616 554033394 /nfs/dbraw/zinc/03/33/94/554033394.db2.gz YXMPLVMOMLBYFC-HRCADAONSA-N 1 2 368.453 2.277 20 30 FEEDLO Cc1[nH+]ccn1C[C@H](C)C[NH+]=C([O-])N1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000330000667 554047403 /nfs/dbraw/zinc/04/74/03/554047403.db2.gz WVSSACUNVVYPMJ-KDOFPFPSSA-N 1 2 350.463 2.012 20 30 FEEDLO CCN1CCN(C(=O)Nc2ccc3c(c2)OCCO3)C[C@@H]1c1[nH]cc[nH+]1 ZINC000330059580 554057167 /nfs/dbraw/zinc/05/71/67/554057167.db2.gz LEMYNEJUBXSJLH-CQSZACIVSA-N 1 2 357.414 2.105 20 30 FEEDLO CCO[C@@H]1C[C@H](O)C12CCN(C(=O)NCc1cn3ccc(C)cc3[nH+]1)CC2 ZINC000330163995 554076799 /nfs/dbraw/zinc/07/67/99/554076799.db2.gz VRKFRIXDLAWAQP-DLBZAZTESA-N 1 2 372.469 2.309 20 30 FEEDLO O=C(C[N@@H+]1CCO[C@H]2CCC[C@H]21)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000330247732 554092775 /nfs/dbraw/zinc/09/27/75/554092775.db2.gz FUTWTSRFOITKAT-MOPGFXCFSA-N 1 2 371.481 2.236 20 30 FEEDLO O=C(C[N@H+]1CCO[C@H]2CCC[C@H]21)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000330247732 554092776 /nfs/dbraw/zinc/09/27/76/554092776.db2.gz FUTWTSRFOITKAT-MOPGFXCFSA-N 1 2 371.481 2.236 20 30 FEEDLO CC1(C)C[S@@](=O)CCN1CC(=O)Nc1nc(C[NH+]2CCCC2)cs1 ZINC000330318449 554104478 /nfs/dbraw/zinc/10/44/78/554104478.db2.gz QWYAQCSFNAWUKO-DEOSSOPVSA-N 1 2 370.544 2.170 20 30 FEEDLO CC(C)(C)CC(=O)N1CSC[C@@H]1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000330333324 554106847 /nfs/dbraw/zinc/10/68/47/554106847.db2.gz YHFDPOGYYPANLF-QWHCGFSZSA-N 1 2 350.488 2.492 20 30 FEEDLO COC(=O)c1occc1C[NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000507885391 561744604 /nfs/dbraw/zinc/74/46/04/561744604.db2.gz IUOQHTXTXUNHPZ-INIZCTEOSA-N 1 2 353.378 2.223 20 30 FEEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)[C@@H](C)C[N@@H+]1C ZINC000507887254 561744688 /nfs/dbraw/zinc/74/46/88/561744688.db2.gz JOOZFGJYAYRUGF-MNOVXSKESA-N 1 2 361.389 2.290 20 30 FEEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)[C@@H](C)C[N@H+]1C ZINC000507887254 561744690 /nfs/dbraw/zinc/74/46/90/561744690.db2.gz JOOZFGJYAYRUGF-MNOVXSKESA-N 1 2 361.389 2.290 20 30 FEEDLO CC(C)CNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2noc(C(C)C)n2)C1 ZINC000330498654 554130079 /nfs/dbraw/zinc/13/00/79/554130079.db2.gz CEXNCVGEKJTSEZ-UONOGXRCSA-N 1 2 365.478 2.447 20 30 FEEDLO CC(C)CNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](c2noc(C(C)C)n2)C1 ZINC000330498654 554130082 /nfs/dbraw/zinc/13/00/82/554130082.db2.gz CEXNCVGEKJTSEZ-UONOGXRCSA-N 1 2 365.478 2.447 20 30 FEEDLO N#Cc1cccc(-c2nnc(C[NH+]3CCC(O)(C(F)(F)F)CC3)o2)c1 ZINC000330504339 554130641 /nfs/dbraw/zinc/13/06/41/554130641.db2.gz DTMCVZDYWOACRF-UHFFFAOYSA-N 1 2 352.316 2.497 20 30 FEEDLO CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@H](O)C[C@H]1c1ccccc1C(F)(F)F ZINC000330537107 554134680 /nfs/dbraw/zinc/13/46/80/554134680.db2.gz PZUZTIVCIVHQDJ-WDMOLILDSA-N 1 2 373.375 2.252 20 30 FEEDLO CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@H](O)C[C@H]1c1ccccc1C(F)(F)F ZINC000330537107 554134683 /nfs/dbraw/zinc/13/46/83/554134683.db2.gz PZUZTIVCIVHQDJ-WDMOLILDSA-N 1 2 373.375 2.252 20 30 FEEDLO CN1CC[N@H+](C)[C@@H](CNC(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000330552855 554137278 /nfs/dbraw/zinc/13/72/78/554137278.db2.gz CLBHNGXMHNVBNW-AWEZNQCLSA-N 1 2 363.462 2.464 20 30 FEEDLO CN1CC[N@@H+](C)[C@@H](CNC(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000330552855 554137279 /nfs/dbraw/zinc/13/72/79/554137279.db2.gz CLBHNGXMHNVBNW-AWEZNQCLSA-N 1 2 363.462 2.464 20 30 FEEDLO C[NH+](C)CCS(=O)(=O)c1ccccc1C(=O)N[C@H]1CCOC(C)(C)C1 ZINC000330589341 554142034 /nfs/dbraw/zinc/14/20/34/554142034.db2.gz WQYPNBSURUEULC-AWEZNQCLSA-N 1 2 368.499 2.284 20 30 FEEDLO Cc1sc2[nH]c([C@H](C)[N@H+](C)CCNC(=O)N(C)C)nc(=O)c2c1C ZINC000330615741 554146277 /nfs/dbraw/zinc/14/62/77/554146277.db2.gz CXCCLCSYQKSNRZ-JTQLQIEISA-N 1 2 351.476 2.482 20 30 FEEDLO Cc1sc2[nH]c([C@H](C)[N@@H+](C)CCNC(=O)N(C)C)nc(=O)c2c1C ZINC000330615741 554146279 /nfs/dbraw/zinc/14/62/79/554146279.db2.gz CXCCLCSYQKSNRZ-JTQLQIEISA-N 1 2 351.476 2.482 20 30 FEEDLO COc1cc(NC(=O)NC[C@H]2CN(C)CC[N@@H+]2C)cc(OC)c1C(C)C ZINC000330724243 554163121 /nfs/dbraw/zinc/16/31/21/554163121.db2.gz YVAJIFIYBBCAEB-HNNXBMFYSA-N 1 2 364.490 2.399 20 30 FEEDLO COc1cc(NC(=O)NC[C@H]2CN(C)CC[N@H+]2C)cc(OC)c1C(C)C ZINC000330724243 554163122 /nfs/dbraw/zinc/16/31/22/554163122.db2.gz YVAJIFIYBBCAEB-HNNXBMFYSA-N 1 2 364.490 2.399 20 30 FEEDLO COC[C@H](C)NC(=O)NC(=O)C[N@@H+]1CCCC[C@H]1c1nc(C)cs1 ZINC000330762247 554168330 /nfs/dbraw/zinc/16/83/30/554168330.db2.gz OKNXSHIIEONQSV-AAEUAGOBSA-N 1 2 354.476 2.044 20 30 FEEDLO COC[C@H](C)NC(=O)NC(=O)C[N@H+]1CCCC[C@H]1c1nc(C)cs1 ZINC000330762247 554168331 /nfs/dbraw/zinc/16/83/31/554168331.db2.gz OKNXSHIIEONQSV-AAEUAGOBSA-N 1 2 354.476 2.044 20 30 FEEDLO CN(C[C@H](O)C(F)(F)F)C(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000330856532 554179366 /nfs/dbraw/zinc/17/93/66/554179366.db2.gz PWNMMXCRBAUVMZ-ZDUSSCGKSA-N 1 2 360.380 2.341 20 30 FEEDLO CNC(=O)N[C@@H]1CC[N@H+](CC(=O)c2cc(C)n(CC(F)(F)F)c2C)C1 ZINC000330951045 554192865 /nfs/dbraw/zinc/19/28/65/554192865.db2.gz PFADMQPPALFBBU-GFCCVEGCSA-N 1 2 360.380 2.058 20 30 FEEDLO CNC(=O)N[C@@H]1CC[N@@H+](CC(=O)c2cc(C)n(CC(F)(F)F)c2C)C1 ZINC000330951045 554192866 /nfs/dbraw/zinc/19/28/66/554192866.db2.gz PFADMQPPALFBBU-GFCCVEGCSA-N 1 2 360.380 2.058 20 30 FEEDLO C=CCn1c(Cc2ccc(F)cc2)nnc1N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000508497151 561763748 /nfs/dbraw/zinc/76/37/48/561763748.db2.gz JFJMTACKSYCTFQ-GOSISDBHSA-N 1 2 371.460 2.105 20 30 FEEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000331667689 554305054 /nfs/dbraw/zinc/30/50/54/554305054.db2.gz NKBWSYPCZKWUPC-OAHLLOKOSA-N 1 2 374.489 2.044 20 30 FEEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000331667689 554305055 /nfs/dbraw/zinc/30/50/55/554305055.db2.gz NKBWSYPCZKWUPC-OAHLLOKOSA-N 1 2 374.489 2.044 20 30 FEEDLO COc1cc(CN2CC[NH+](CC(=O)N3CCCC[C@@H]3C)CC2)ccc1C#N ZINC000332552330 554469949 /nfs/dbraw/zinc/46/99/49/554469949.db2.gz QKZIFLDKPRHLJB-KRWDZBQOSA-N 1 2 370.497 2.085 20 30 FEEDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)N=c3[nH]n(C)cc3C#N)CC2)c1 ZINC000610562825 554529004 /nfs/dbraw/zinc/52/90/04/554529004.db2.gz HYNFLZFVEWXJKP-CQSZACIVSA-N 1 2 368.441 2.211 20 30 FEEDLO C=CCNC(=O)Cc1noc(C2CC[NH+](Cc3csc(C)n3)CC2)n1 ZINC000350726626 554809691 /nfs/dbraw/zinc/80/96/91/554809691.db2.gz LZSMIQQYZRATGG-UHFFFAOYSA-N 1 2 361.471 2.059 20 30 FEEDLO COC(=O)[C@@H]1C[C@H](OC)C[N@H+]1Cc1ccc(OC)c(OCCCC#N)c1 ZINC000362375561 554967010 /nfs/dbraw/zinc/96/70/10/554967010.db2.gz GKOGIZOOUIBBKI-HOTGVXAUSA-N 1 2 362.426 2.140 20 30 FEEDLO COC(=O)[C@@H]1C[C@H](OC)C[N@@H+]1Cc1ccc(OC)c(OCCCC#N)c1 ZINC000362375561 554967011 /nfs/dbraw/zinc/96/70/11/554967011.db2.gz GKOGIZOOUIBBKI-HOTGVXAUSA-N 1 2 362.426 2.140 20 30 FEEDLO N#Cc1cnn(-c2ccc(C(=O)N3CCC[C@H](c4[nH]cc[nH+]4)C3)cc2)c1N ZINC000362974317 555004201 /nfs/dbraw/zinc/00/42/01/555004201.db2.gz UZRANCRKFRZFHX-AWEZNQCLSA-N 1 2 361.409 2.069 20 30 FEEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1[C@@H]2CCCC[C@@H]2C[C@H]1C(N)=O ZINC000363175992 555045812 /nfs/dbraw/zinc/04/58/12/555045812.db2.gz DGTKWLWGRKMLOL-LYRGGWFBSA-N 1 2 360.845 2.269 20 30 FEEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1[C@@H]2CCCC[C@@H]2C[C@H]1C(N)=O ZINC000363175992 555045815 /nfs/dbraw/zinc/04/58/15/555045815.db2.gz DGTKWLWGRKMLOL-LYRGGWFBSA-N 1 2 360.845 2.269 20 30 FEEDLO CC(C)(C)C(=O)N1CCC[N@@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000363230249 555059117 /nfs/dbraw/zinc/05/91/17/555059117.db2.gz FSJDYTOGUNFUNI-SFHVURJKSA-N 1 2 368.481 2.244 20 30 FEEDLO CC(C)(C)C(=O)N1CCC[N@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000363230249 555059118 /nfs/dbraw/zinc/05/91/18/555059118.db2.gz FSJDYTOGUNFUNI-SFHVURJKSA-N 1 2 368.481 2.244 20 30 FEEDLO COc1cc(/C=C/C(=O)N[C@H]2CCc3[nH+]c(C)cn3C2)ccc1OCC#N ZINC000363546874 555133324 /nfs/dbraw/zinc/13/33/24/555133324.db2.gz UZQJXAGEEXAXKW-YCOJEUHLSA-N 1 2 366.421 2.247 20 30 FEEDLO N#Cc1c(F)cccc1-n1ccc(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)n1 ZINC000615787624 555240727 /nfs/dbraw/zinc/24/07/27/555240727.db2.gz MPKMPMDWUIKBCL-GFCCVEGCSA-N 1 2 350.357 2.281 20 30 FEEDLO N#CCCCOc1cccc(C[N@H+]2CCC[C@@H]2c2nc(C(N)=O)no2)c1 ZINC000364232752 555275433 /nfs/dbraw/zinc/27/54/33/555275433.db2.gz AARXUAKIONBUII-OAHLLOKOSA-N 1 2 355.398 2.188 20 30 FEEDLO N#CCCCOc1cccc(C[N@@H+]2CCC[C@@H]2c2nc(C(N)=O)no2)c1 ZINC000364232752 555275435 /nfs/dbraw/zinc/27/54/35/555275435.db2.gz AARXUAKIONBUII-OAHLLOKOSA-N 1 2 355.398 2.188 20 30 FEEDLO CC(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1CC(=O)Nc1oc(C)c(C)c1C#N ZINC000364377648 555302083 /nfs/dbraw/zinc/30/20/83/555302083.db2.gz OTGKFCAPBILBFE-SJORKVTESA-N 1 2 358.442 2.182 20 30 FEEDLO CC(=O)N1CCC[C@H]1[C@H]1CCC[N@H+]1CC(=O)Nc1oc(C)c(C)c1C#N ZINC000364377648 555302085 /nfs/dbraw/zinc/30/20/85/555302085.db2.gz OTGKFCAPBILBFE-SJORKVTESA-N 1 2 358.442 2.182 20 30 FEEDLO N#C[C@H]1C[N@@H+](CCOCC(F)(F)C(F)F)C[C@]12C(=O)Nc1ccccc12 ZINC000364897852 555430054 /nfs/dbraw/zinc/43/00/54/555430054.db2.gz UFXOPFQEGRVKKY-ZBEGNZNMSA-N 1 2 371.334 2.249 20 30 FEEDLO N#C[C@H]1C[N@H+](CCOCC(F)(F)C(F)F)C[C@]12C(=O)Nc1ccccc12 ZINC000364897852 555430055 /nfs/dbraw/zinc/43/00/55/555430055.db2.gz UFXOPFQEGRVKKY-ZBEGNZNMSA-N 1 2 371.334 2.249 20 30 FEEDLO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C1([NH+]2CCOCC2)CCC1 ZINC000364912459 555435686 /nfs/dbraw/zinc/43/56/86/555435686.db2.gz AZQBUEFRKSXKST-UHFFFAOYSA-N 1 2 359.426 2.364 20 30 FEEDLO N#CCCN(C(=O)C[N@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O)c1cccc(Cl)c1 ZINC000364957799 555450293 /nfs/dbraw/zinc/45/02/93/555450293.db2.gz VZGPRBBYXIVOMK-FDQGKXFDSA-N 1 2 374.872 2.172 20 30 FEEDLO N#CCCN(C(=O)C[N@@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O)c1cccc(Cl)c1 ZINC000364957799 555450294 /nfs/dbraw/zinc/45/02/94/555450294.db2.gz VZGPRBBYXIVOMK-FDQGKXFDSA-N 1 2 374.872 2.172 20 30 FEEDLO C=CCOc1cccc(NC(=O)C(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000365481277 555587352 /nfs/dbraw/zinc/58/73/52/555587352.db2.gz JSPHYLUVUWDHBO-HNNXBMFYSA-N 1 2 368.437 2.330 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1NC(=O)N[C@H](C[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000514713784 561975557 /nfs/dbraw/zinc/97/55/57/561975557.db2.gz DSMLZWPXTSFITJ-QRVBRYPASA-N 1 2 359.470 2.011 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+](C)[C@@H]2CCCCNC2=O)c1 ZINC000368895698 556441246 /nfs/dbraw/zinc/44/12/46/556441246.db2.gz ZSSFSKKBXXGKBM-GOSISDBHSA-N 1 2 356.470 2.151 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](C)[C@@H]2CCCCNC2=O)c1 ZINC000368895698 556441250 /nfs/dbraw/zinc/44/12/50/556441250.db2.gz ZSSFSKKBXXGKBM-GOSISDBHSA-N 1 2 356.470 2.151 20 30 FEEDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)NCCOc2ccc(C#N)cc2)C1 ZINC000368916560 556447729 /nfs/dbraw/zinc/44/77/29/556447729.db2.gz ZSDJPHSAJVXEPH-MRXNPFEDSA-N 1 2 353.426 2.260 20 30 FEEDLO C[C@@H](C(=O)Nc1cc(F)ccc1F)[NH+]1CCC(n2cnc(C#N)n2)CC1 ZINC000369729569 556679646 /nfs/dbraw/zinc/67/96/46/556679646.db2.gz LUNHKJODRTUFFA-NSHDSACASA-N 1 2 360.368 2.092 20 30 FEEDLO C[C@H](CNC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1)[NH+]1CCOCC1 ZINC000369748303 556684750 /nfs/dbraw/zinc/68/47/50/556684750.db2.gz JMZMRFWZIZLIQA-QRQLOZEOSA-N 1 2 356.470 2.188 20 30 FEEDLO C[N@H+](CC(=O)c1cn(CCC#N)c2ccccc12)[C@H]1CCCCNC1=O ZINC000370001928 556754365 /nfs/dbraw/zinc/75/43/65/556754365.db2.gz KWCRORPHKJPBEF-SFHVURJKSA-N 1 2 352.438 2.338 20 30 FEEDLO C[N@@H+](CC(=O)c1cn(CCC#N)c2ccccc12)[C@H]1CCCCNC1=O ZINC000370001928 556754367 /nfs/dbraw/zinc/75/43/67/556754367.db2.gz KWCRORPHKJPBEF-SFHVURJKSA-N 1 2 352.438 2.338 20 30 FEEDLO C=CCN1C(=O)N([C@H]2CCn3cc[nH+]c3C2)C(=O)[C@H]1Cc1ccccc1 ZINC000516860387 562061079 /nfs/dbraw/zinc/06/10/79/562061079.db2.gz CZAUUBGVPUYHFM-DLBZAZTESA-N 1 2 350.422 2.259 20 30 FEEDLO C=C(Cl)CNC(=O)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000371319907 557144580 /nfs/dbraw/zinc/14/45/80/557144580.db2.gz WQKBXNQGLOTFRP-UHFFFAOYSA-N 1 2 356.813 2.409 20 30 FEEDLO C[C@@H]1C[NH+]=C(N2CCN(C(=O)[C@@]3(C#N)CCc4ccccc4C3)CC2)S1 ZINC000371470090 557191236 /nfs/dbraw/zinc/19/12/36/557191236.db2.gz IRWYQHQSVPXLDV-QRWLVFNGSA-N 1 2 368.506 2.321 20 30 FEEDLO COc1cc(C#N)ccc1OCCCC(=O)N[C@@H]1CCc2[nH+]c(C)cn2C1 ZINC000371490796 557198437 /nfs/dbraw/zinc/19/84/37/557198437.db2.gz IMCLUZDOEYPKJQ-MRXNPFEDSA-N 1 2 368.437 2.362 20 30 FEEDLO OCC[C@H]1CN(CC#Cc2ccccc2)CC[N@@H+]1CC#Cc1ccccc1 ZINC000517755070 562097425 /nfs/dbraw/zinc/09/74/25/562097425.db2.gz MODVPIAWHHLBMD-DEOSSOPVSA-N 1 2 358.485 2.458 20 30 FEEDLO OCC[C@H]1CN(CC#Cc2ccccc2)CC[N@H+]1CC#Cc1ccccc1 ZINC000517755070 562097426 /nfs/dbraw/zinc/09/74/26/562097426.db2.gz MODVPIAWHHLBMD-DEOSSOPVSA-N 1 2 358.485 2.458 20 30 FEEDLO OCC[C@H]1C[N@H+](CC#Cc2ccccc2)CCN1CC#Cc1ccccc1 ZINC000517755070 562097427 /nfs/dbraw/zinc/09/74/27/562097427.db2.gz MODVPIAWHHLBMD-DEOSSOPVSA-N 1 2 358.485 2.458 20 30 FEEDLO OCC[C@H]1C[N@@H+](CC#Cc2ccccc2)CCN1CC#Cc1ccccc1 ZINC000517755070 562097428 /nfs/dbraw/zinc/09/74/28/562097428.db2.gz MODVPIAWHHLBMD-DEOSSOPVSA-N 1 2 358.485 2.458 20 30 FEEDLO C=CCOCCNC(=O)N[C@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1 ZINC000371631257 557245532 /nfs/dbraw/zinc/24/55/32/557245532.db2.gz BPAAYYFOLYIGNJ-KRWDZBQOSA-N 1 2 374.441 2.029 20 30 FEEDLO CC(C)(C#N)c1ccc(NC(=O)C(=O)NCCCCn2cc[nH+]c2)cc1 ZINC000518191364 562106140 /nfs/dbraw/zinc/10/61/40/562106140.db2.gz AOBJGUADCQLMLX-UHFFFAOYSA-N 1 2 353.426 2.219 20 30 FEEDLO N#Cc1ccncc1N1CC[NH+]([C@@H]2CCN(c3ccc(F)cc3)C2=O)CC1 ZINC000518928490 562121242 /nfs/dbraw/zinc/12/12/42/562121242.db2.gz MHHBONNHJWBOAD-GOSISDBHSA-N 1 2 365.412 2.020 20 30 FEEDLO C=CCOc1cccc(NC(=O)C(=O)NC[C@H]2CCCn3cc(C)[nH+]c32)c1 ZINC000372222394 557414001 /nfs/dbraw/zinc/41/40/01/557414001.db2.gz BJSAQAIQPZBPBS-OAHLLOKOSA-N 1 2 368.437 2.389 20 30 FEEDLO Cc1nn(C)c(C)c1[C@H]1COCC[N@@H+]1CCC(=O)Nc1sccc1C#N ZINC000373153605 557639726 /nfs/dbraw/zinc/63/97/26/557639726.db2.gz MRZCYIYMCBZLQU-OAHLLOKOSA-N 1 2 373.482 2.372 20 30 FEEDLO Cc1nn(C)c(C)c1[C@H]1COCC[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000373153605 557639728 /nfs/dbraw/zinc/63/97/28/557639728.db2.gz MRZCYIYMCBZLQU-OAHLLOKOSA-N 1 2 373.482 2.372 20 30 FEEDLO N#CC[C@H](CC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)c1ccccc1 ZINC000373539459 557714215 /nfs/dbraw/zinc/71/42/15/557714215.db2.gz RWFHXRSAQDIHRT-GOSISDBHSA-N 1 2 367.453 2.241 20 30 FEEDLO N#Cc1cccc(-n2ccc(C(=O)NCc3ccnc(-n4cc[nH+]c4)c3)n2)c1 ZINC000373983751 557801149 /nfs/dbraw/zinc/80/11/49/557801149.db2.gz BYEDSZJJQJTRCB-UHFFFAOYSA-N 1 2 369.388 2.255 20 30 FEEDLO N#C[C@@H]1C[N@@H+](Cc2ccc(-n3ccnc3)nc2)C[C@]12C(=O)Nc1ccccc12 ZINC000374355046 557870675 /nfs/dbraw/zinc/87/06/75/557870675.db2.gz XDVZPVMBSPBPPH-IERDGZPVSA-N 1 2 370.416 2.113 20 30 FEEDLO N#C[C@@H]1C[N@H+](Cc2ccc(-n3ccnc3)nc2)C[C@]12C(=O)Nc1ccccc12 ZINC000374355046 557870676 /nfs/dbraw/zinc/87/06/76/557870676.db2.gz XDVZPVMBSPBPPH-IERDGZPVSA-N 1 2 370.416 2.113 20 30 FEEDLO COc1ccccc1[C@H]1CN(C(=O)Cc2ccc(OCC#N)cc2)CC[NH2+]1 ZINC000374362075 557871576 /nfs/dbraw/zinc/87/15/76/557871576.db2.gz CNOXWZNQAZWRSQ-LJQANCHMSA-N 1 2 365.433 2.313 20 30 FEEDLO C=CCOc1ccc(C(=O)N2CC[NH2+][C@H](c3ccncc3)C2)cc1OC ZINC000374376102 557874402 /nfs/dbraw/zinc/87/44/02/557874402.db2.gz VMHNAYSLWSLXGK-KRWDZBQOSA-N 1 2 353.422 2.442 20 30 FEEDLO COc1ccc(OCC[N@@H+]2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)cc1 ZINC000374387775 557876676 /nfs/dbraw/zinc/87/66/76/557876676.db2.gz QWZNABKTRXXOBC-QVKFZJNVSA-N 1 2 363.417 2.419 20 30 FEEDLO COc1ccc(OCC[N@H+]2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)cc1 ZINC000374387775 557876678 /nfs/dbraw/zinc/87/66/78/557876678.db2.gz QWZNABKTRXXOBC-QVKFZJNVSA-N 1 2 363.417 2.419 20 30 FEEDLO N#Cc1cccc(CNC(=O)C[NH+]2CCC(c3noc(C4CC4)n3)CC2)c1 ZINC000375156524 557985069 /nfs/dbraw/zinc/98/50/69/557985069.db2.gz BIOABTRRVJKTQF-UHFFFAOYSA-N 1 2 365.437 2.314 20 30 FEEDLO C=CCCCCNC(=O)N1CCNC(=O)[C@@H]1c1c(C)[nH+]c2ccccn21 ZINC000375217861 557993488 /nfs/dbraw/zinc/99/34/88/557993488.db2.gz KIWAQLBFSUHXHK-KRWDZBQOSA-N 1 2 355.442 2.182 20 30 FEEDLO CS(=O)(=O)Nc1c[nH]nc1[C@@H]1CCC[N@H+](CC#Cc2ccccc2)C1 ZINC000375457842 558030705 /nfs/dbraw/zinc/03/07/05/558030705.db2.gz NPTJTTFDLJMZKH-MRXNPFEDSA-N 1 2 358.467 2.012 20 30 FEEDLO CS(=O)(=O)Nc1c[nH]nc1[C@@H]1CCC[N@@H+](CC#Cc2ccccc2)C1 ZINC000375457842 558030706 /nfs/dbraw/zinc/03/07/06/558030706.db2.gz NPTJTTFDLJMZKH-MRXNPFEDSA-N 1 2 358.467 2.012 20 30 FEEDLO CC[C@](C)(C#N)C(=O)N1CC[C@@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000376189457 558138809 /nfs/dbraw/zinc/13/88/09/558138809.db2.gz VDEGRVHJEMZZLB-DNVCBOLYSA-N 1 2 364.490 2.080 20 30 FEEDLO CO[C@H](C)c1noc(C[N@@H+]2CCCN(c3ccc(C)c(C#N)n3)CC2)n1 ZINC000376415272 558169916 /nfs/dbraw/zinc/16/99/16/558169916.db2.gz ONJWTSVVBSTWCT-CQSZACIVSA-N 1 2 356.430 2.064 20 30 FEEDLO CO[C@H](C)c1noc(C[N@H+]2CCCN(c3ccc(C)c(C#N)n3)CC2)n1 ZINC000376415272 558169918 /nfs/dbraw/zinc/16/99/18/558169918.db2.gz ONJWTSVVBSTWCT-CQSZACIVSA-N 1 2 356.430 2.064 20 30 FEEDLO COc1cc2c(cc1OC)[C@H](c1cccs1)[N@H+](CC(=O)NCC#N)CC2 ZINC000521785789 562183552 /nfs/dbraw/zinc/18/35/52/562183552.db2.gz SDKDUFZSWAUOTI-LJQANCHMSA-N 1 2 371.462 2.353 20 30 FEEDLO COc1cc2c(cc1OC)[C@H](c1cccs1)[N@@H+](CC(=O)NCC#N)CC2 ZINC000521785789 562183553 /nfs/dbraw/zinc/18/35/53/562183553.db2.gz SDKDUFZSWAUOTI-LJQANCHMSA-N 1 2 371.462 2.353 20 30 FEEDLO CCc1nn(C)c(Cl)c1C[N@@H+]1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000376640393 558201848 /nfs/dbraw/zinc/20/18/48/558201848.db2.gz GEYOUBSAHOVKPW-CWTRNNRKSA-N 1 2 369.856 2.481 20 30 FEEDLO CCc1nn(C)c(Cl)c1C[N@H+]1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000376640393 558201850 /nfs/dbraw/zinc/20/18/50/558201850.db2.gz GEYOUBSAHOVKPW-CWTRNNRKSA-N 1 2 369.856 2.481 20 30 FEEDLO C#CCCS(=O)(=O)N[C@H]1CC[N@H+](C2CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000377297072 558309019 /nfs/dbraw/zinc/30/90/19/558309019.db2.gz PORIEOIALDMAAJ-DLBZAZTESA-N 1 2 354.422 2.185 20 30 FEEDLO C#CCCS(=O)(=O)N[C@H]1CC[N@@H+](C2CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000377297072 558309021 /nfs/dbraw/zinc/30/90/21/558309021.db2.gz PORIEOIALDMAAJ-DLBZAZTESA-N 1 2 354.422 2.185 20 30 FEEDLO CCCn1cc[nH+]c1-c1cccc(NC(=O)NCCn2cnc(C#N)n2)c1 ZINC000377304466 558310822 /nfs/dbraw/zinc/31/08/22/558310822.db2.gz NRUHESVJLWGMBG-UHFFFAOYSA-N 1 2 364.413 2.245 20 30 FEEDLO N#Cc1ccc(CN2CC[NH+](CC[S@@](=O)c3ccccc3)CC2)cc1 ZINC000523224201 562209898 /nfs/dbraw/zinc/20/98/98/562209898.db2.gz RCYOYOZKQNSCHA-RUZDIDTESA-N 1 2 353.491 2.484 20 30 FEEDLO N#Cc1ccc(CN2CC[NH+](CC[S@](=O)c3ccccc3)CC2)cc1 ZINC000523224202 562209905 /nfs/dbraw/zinc/20/99/05/562209905.db2.gz RCYOYOZKQNSCHA-VWLOTQADSA-N 1 2 353.491 2.484 20 30 FEEDLO N#C[C@@H]1C[N@@H+](C[C@H](O)c2ccccc2F)C[C@@]12C(=O)Nc1ccccc12 ZINC000378259292 558513959 /nfs/dbraw/zinc/51/39/59/558513959.db2.gz LKBAQGMLTFOVQL-ORPRQENYSA-N 1 2 351.381 2.205 20 30 FEEDLO N#C[C@@H]1C[N@H+](C[C@H](O)c2ccccc2F)C[C@@]12C(=O)Nc1ccccc12 ZINC000378259292 558513960 /nfs/dbraw/zinc/51/39/60/558513960.db2.gz LKBAQGMLTFOVQL-ORPRQENYSA-N 1 2 351.381 2.205 20 30 FEEDLO CC1(C)C[N@H+](CCNC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)CCO1 ZINC000378360553 558538843 /nfs/dbraw/zinc/53/88/43/558538843.db2.gz NWTHZMRIOZXPOV-UHFFFAOYSA-N 1 2 368.481 2.468 20 30 FEEDLO CC1(C)C[N@@H+](CCNC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)CCO1 ZINC000378360553 558538844 /nfs/dbraw/zinc/53/88/44/558538844.db2.gz NWTHZMRIOZXPOV-UHFFFAOYSA-N 1 2 368.481 2.468 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[NH+]2CCC([C@H]3CCCOC3)CC2)cc1 ZINC000378591098 558590311 /nfs/dbraw/zinc/59/03/11/558590311.db2.gz IHFXFAQCDBTECV-SFHVURJKSA-N 1 2 362.495 2.471 20 30 FEEDLO C[C@@H]1C[N@H+](C)[C@@H](C)CN1S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000409510750 558699377 /nfs/dbraw/zinc/69/93/77/558699377.db2.gz UEDKJHXPUBCBON-WDEREUQCSA-N 1 2 361.389 2.290 20 30 FEEDLO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000409510750 558699379 /nfs/dbraw/zinc/69/93/79/558699379.db2.gz UEDKJHXPUBCBON-WDEREUQCSA-N 1 2 361.389 2.290 20 30 FEEDLO C=C(C)CN(Cc1ccccc1)C(=O)C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000410712771 558802394 /nfs/dbraw/zinc/80/23/94/558802394.db2.gz FZJDVWURBDNWJU-SFHVURJKSA-N 1 2 366.465 2.341 20 30 FEEDLO COc1ccc(OC)c(C[NH+]2CCN(c3ncc(C#N)cc3F)CC2)c1 ZINC000413022743 559070439 /nfs/dbraw/zinc/07/04/39/559070439.db2.gz FVXBHJOAHCFENU-UHFFFAOYSA-N 1 2 356.401 2.432 20 30 FEEDLO C[C@H](O)CNc1cc(N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)nc[nH+]1 ZINC000413136492 559081630 /nfs/dbraw/zinc/08/16/30/559081630.db2.gz FNPQHUNKNVNQDH-DZGCQCFKSA-N 1 2 370.432 2.361 20 30 FEEDLO C[C@H](O)CNc1cc(N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)[nH+]cn1 ZINC000413136492 559081631 /nfs/dbraw/zinc/08/16/31/559081631.db2.gz FNPQHUNKNVNQDH-DZGCQCFKSA-N 1 2 370.432 2.361 20 30 FEEDLO C[C@H](O)CNc1cc(NC2CCC(Oc3ncccc3C#N)CC2)nc[nH+]1 ZINC000413238653 559091130 /nfs/dbraw/zinc/09/11/30/559091130.db2.gz DPOSKQOSKVIDBA-JEYLPNPQSA-N 1 2 368.441 2.338 20 30 FEEDLO C[C@H](O)CNc1cc(NC2CCC(Oc3ncccc3C#N)CC2)[nH+]cn1 ZINC000413238653 559091131 /nfs/dbraw/zinc/09/11/31/559091131.db2.gz DPOSKQOSKVIDBA-JEYLPNPQSA-N 1 2 368.441 2.338 20 30 FEEDLO CCOc1ccccc1-c1nnc(SC[C@@H](O)C[N@H+](C)CCC#N)o1 ZINC000414092314 559149108 /nfs/dbraw/zinc/14/91/08/559149108.db2.gz FTTACVHSJZJAAY-ZDUSSCGKSA-N 1 2 362.455 2.434 20 30 FEEDLO CCOc1ccccc1-c1nnc(SC[C@@H](O)C[N@@H+](C)CCC#N)o1 ZINC000414092314 559149110 /nfs/dbraw/zinc/14/91/10/559149110.db2.gz FTTACVHSJZJAAY-ZDUSSCGKSA-N 1 2 362.455 2.434 20 30 FEEDLO CCn1c(Cc2ccccc2)nnc1SC[C@H](O)C[N@H+](C)CCC#N ZINC000414098939 559149276 /nfs/dbraw/zinc/14/92/76/559149276.db2.gz PUMNETIZNJCFRS-MRXNPFEDSA-N 1 2 359.499 2.187 20 30 FEEDLO CCn1c(Cc2ccccc2)nnc1SC[C@H](O)C[N@@H+](C)CCC#N ZINC000414098939 559149278 /nfs/dbraw/zinc/14/92/78/559149278.db2.gz PUMNETIZNJCFRS-MRXNPFEDSA-N 1 2 359.499 2.187 20 30 FEEDLO Cc1cccc(OCc2nnc(SC[C@@H](O)C[N@H+](C)CCC#N)o2)c1 ZINC000414135319 559150370 /nfs/dbraw/zinc/15/03/70/559150370.db2.gz HEMNENLOGBOALI-AWEZNQCLSA-N 1 2 362.455 2.256 20 30 FEEDLO Cc1cccc(OCc2nnc(SC[C@@H](O)C[N@@H+](C)CCC#N)o2)c1 ZINC000414135319 559150371 /nfs/dbraw/zinc/15/03/71/559150371.db2.gz HEMNENLOGBOALI-AWEZNQCLSA-N 1 2 362.455 2.256 20 30 FEEDLO CC(=O)c1cc(Br)c(F)cc1OC[C@@H](O)C[N@H+](C)CCC#N ZINC000414158051 559150921 /nfs/dbraw/zinc/15/09/21/559150921.db2.gz YVAGAQSUEBECDU-NSHDSACASA-N 1 2 373.222 2.376 20 30 FEEDLO CC(=O)c1cc(Br)c(F)cc1OC[C@@H](O)C[N@@H+](C)CCC#N ZINC000414158051 559150922 /nfs/dbraw/zinc/15/09/22/559150922.db2.gz YVAGAQSUEBECDU-NSHDSACASA-N 1 2 373.222 2.376 20 30 FEEDLO CC(=O)c1cc(Br)c(F)cc1OC[C@H](O)C[N@H+](C)CCC#N ZINC000414158047 559151040 /nfs/dbraw/zinc/15/10/40/559151040.db2.gz YVAGAQSUEBECDU-LLVKDONJSA-N 1 2 373.222 2.376 20 30 FEEDLO CC(=O)c1cc(Br)c(F)cc1OC[C@H](O)C[N@@H+](C)CCC#N ZINC000414158047 559151041 /nfs/dbraw/zinc/15/10/41/559151041.db2.gz YVAGAQSUEBECDU-LLVKDONJSA-N 1 2 373.222 2.376 20 30 FEEDLO C=CCn1c(SC[C@@H](O)C[N@H+](C)CCC#N)nnc1-c1cccs1 ZINC000414167882 559151236 /nfs/dbraw/zinc/15/12/36/559151236.db2.gz SZXWARCWKHAKCU-ZDUSSCGKSA-N 1 2 363.512 2.491 20 30 FEEDLO C=CCn1c(SC[C@@H](O)C[N@@H+](C)CCC#N)nnc1-c1cccs1 ZINC000414167882 559151238 /nfs/dbraw/zinc/15/12/38/559151238.db2.gz SZXWARCWKHAKCU-ZDUSSCGKSA-N 1 2 363.512 2.491 20 30 FEEDLO C[C@H](NC(=O)c1ccc(C#N)c(O)c1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000527196050 562279685 /nfs/dbraw/zinc/27/96/85/562279685.db2.gz AOJUHVUINKMLBU-YWZLYKJASA-N 1 2 365.433 2.283 20 30 FEEDLO C[C@H](NC(=O)c1ccc(C#N)c(O)c1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000527196050 562279686 /nfs/dbraw/zinc/27/96/86/562279686.db2.gz AOJUHVUINKMLBU-YWZLYKJASA-N 1 2 365.433 2.283 20 30 FEEDLO C=CCC1(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CCOCC1 ZINC000424569236 559669662 /nfs/dbraw/zinc/66/96/62/559669662.db2.gz UQYTYTGMXBJDJX-LJQANCHMSA-N 1 2 358.482 2.377 20 30 FEEDLO C=CCC1(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CCOCC1 ZINC000424569236 559669663 /nfs/dbraw/zinc/66/96/63/559669663.db2.gz UQYTYTGMXBJDJX-LJQANCHMSA-N 1 2 358.482 2.377 20 30 FEEDLO Cc1ccc(C)c(S(=O)(=O)N2CCN(c3cc(C)[nH+]cc3C#N)CC2)c1 ZINC000425198662 559690704 /nfs/dbraw/zinc/69/07/04/559690704.db2.gz FTRFUAAPIAYZBK-UHFFFAOYSA-N 1 2 370.478 2.389 20 30 FEEDLO C=CCN1CC[C@@H](N(C)C(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)C1=O ZINC000425286330 559694756 /nfs/dbraw/zinc/69/47/56/559694756.db2.gz HLRJHIJINSYLAY-IAGOWNOFSA-N 1 2 352.438 2.177 20 30 FEEDLO CC[C@@H]1CN(S(=O)(=O)c2cccnc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000428374347 559774233 /nfs/dbraw/zinc/77/42/33/559774233.db2.gz OFQXVDFCSMFQHL-QGZVFWFLSA-N 1 2 370.478 2.238 20 30 FEEDLO CC[C@@H]1CN(S(=O)(=O)c2cccnc2C#N)CC[N@H+]1Cc1ccccc1 ZINC000428374347 559774234 /nfs/dbraw/zinc/77/42/34/559774234.db2.gz OFQXVDFCSMFQHL-QGZVFWFLSA-N 1 2 370.478 2.238 20 30 FEEDLO C[C@@H](c1ccccc1)[C@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)C(N)=O ZINC000428858157 559784935 /nfs/dbraw/zinc/78/49/35/559784935.db2.gz VQBMHOQGMILQEY-UGSOOPFHSA-N 1 2 361.405 2.355 20 30 FEEDLO CC1(C)C[N@H+](C[C@H](O)COc2ccc(C#N)cc2)C[C@H](C(F)(F)F)O1 ZINC000428932845 559786184 /nfs/dbraw/zinc/78/61/84/559786184.db2.gz KFJKNOURUNNAMA-DZGCQCFKSA-N 1 2 358.360 2.340 20 30 FEEDLO CC1(C)C[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)C[C@H](C(F)(F)F)O1 ZINC000428932845 559786185 /nfs/dbraw/zinc/78/61/85/559786185.db2.gz KFJKNOURUNNAMA-DZGCQCFKSA-N 1 2 358.360 2.340 20 30 FEEDLO Cc1c(C#N)cccc1NC(=O)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000431950898 559849233 /nfs/dbraw/zinc/84/92/33/559849233.db2.gz GYGPMFHUVYUIDF-UHFFFAOYSA-N 1 2 368.462 2.211 20 30 FEEDLO N#Cc1cscc1C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000432713917 559863259 /nfs/dbraw/zinc/86/32/59/559863259.db2.gz NLSZTUJNUHXLPB-UHFFFAOYSA-N 1 2 358.442 2.311 20 30 FEEDLO CN(C)c1[nH+]cccc1O[C@@H]1CCN(C(=O)CNc2cccc(C#N)c2)C1 ZINC000433421116 559881033 /nfs/dbraw/zinc/88/10/33/559881033.db2.gz BIKISDVWKDOHBP-QGZVFWFLSA-N 1 2 365.437 2.111 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)s1 ZINC000435433994 559922808 /nfs/dbraw/zinc/92/28/08/559922808.db2.gz QFHOBGOVAAGNCT-CYBMUJFWSA-N 1 2 351.453 2.328 20 30 FEEDLO C[C@H](CNS(=O)(=O)c1ccc(C#N)s1)[N@@H+]1CCc2ccccc2C1 ZINC000435434063 559922894 /nfs/dbraw/zinc/92/28/94/559922894.db2.gz QIJRNGIWPLAZNC-CYBMUJFWSA-N 1 2 361.492 2.345 20 30 FEEDLO C[C@H](CNS(=O)(=O)c1ccc(C#N)s1)[N@H+]1CCc2ccccc2C1 ZINC000435434063 559922895 /nfs/dbraw/zinc/92/28/95/559922895.db2.gz QIJRNGIWPLAZNC-CYBMUJFWSA-N 1 2 361.492 2.345 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000437525155 559965609 /nfs/dbraw/zinc/96/56/09/559965609.db2.gz OMQKKUGGBMGPHI-IERDGZPVSA-N 1 2 374.481 2.159 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000437525155 559965610 /nfs/dbraw/zinc/96/56/10/559965610.db2.gz OMQKKUGGBMGPHI-IERDGZPVSA-N 1 2 374.481 2.159 20 30 FEEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000438650924 559981890 /nfs/dbraw/zinc/98/18/90/559981890.db2.gz LOVRNYYZLYFFOD-LLVKDONJSA-N 1 2 356.348 2.419 20 30 FEEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000438650924 559981891 /nfs/dbraw/zinc/98/18/91/559981891.db2.gz LOVRNYYZLYFFOD-LLVKDONJSA-N 1 2 356.348 2.419 20 30 FEEDLO CCOC(=O)[C@@H]1C[N@H+](CC(=O)N(CC)C[C@H](C)C#N)Cc2ccccc21 ZINC000441135263 560025054 /nfs/dbraw/zinc/02/50/54/560025054.db2.gz SBXMXARQEJFYRH-CRAIPNDOSA-N 1 2 357.454 2.157 20 30 FEEDLO CCOC(=O)[C@@H]1C[N@@H+](CC(=O)N(CC)C[C@H](C)C#N)Cc2ccccc21 ZINC000441135263 560025055 /nfs/dbraw/zinc/02/50/55/560025055.db2.gz SBXMXARQEJFYRH-CRAIPNDOSA-N 1 2 357.454 2.157 20 30 FEEDLO CC(C)(C)OC(=O)C[NH2+][C@]1(C)CCN(C(=O)c2cccc(F)c2C#N)C1 ZINC000442829629 560058847 /nfs/dbraw/zinc/05/88/47/560058847.db2.gz VTJXRIBGCKSTKL-LJQANCHMSA-N 1 2 361.417 2.233 20 30 FEEDLO C=C(C)[C@@H](CC(=O)N1CC[C@](C)([NH2+]CC(=O)OC(C)(C)C)C1)OCC ZINC000442842581 560059378 /nfs/dbraw/zinc/05/93/78/560059378.db2.gz BWXXTTPXUVMPAY-BEFAXECRSA-N 1 2 354.491 2.280 20 30 FEEDLO C=C(C)CS(=O)(=O)N1CC[N@@H+](Cc2ccccc2OCC)C[C@H]1C ZINC000443074780 560069421 /nfs/dbraw/zinc/06/94/21/560069421.db2.gz AGWJBSITPPFZFW-MRXNPFEDSA-N 1 2 352.500 2.497 20 30 FEEDLO C=C(C)CS(=O)(=O)N1CC[N@H+](Cc2ccccc2OCC)C[C@H]1C ZINC000443074780 560069422 /nfs/dbraw/zinc/06/94/22/560069422.db2.gz AGWJBSITPPFZFW-MRXNPFEDSA-N 1 2 352.500 2.497 20 30 FEEDLO C=CCNC(=O)C[NH+]1CCN(CCc2cc(Cl)cc(Cl)c2)CC1 ZINC000447120790 560156739 /nfs/dbraw/zinc/15/67/39/560156739.db2.gz OUIWZDBJRKSAQZ-UHFFFAOYSA-N 1 2 356.297 2.456 20 30 FEEDLO N#Cc1ccc([C@H](C(N)=O)[NH+]2CCC(Oc3ncccc3F)CC2)cc1 ZINC000447368828 560160917 /nfs/dbraw/zinc/16/09/17/560160917.db2.gz RIZDCSKNWCSZBE-QGZVFWFLSA-N 1 2 354.385 2.162 20 30 FEEDLO C=CC[N@@H+](Cc1nc(C(=O)OC)co1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000450395253 560261015 /nfs/dbraw/zinc/26/10/15/560261015.db2.gz QWCJNXFEEUCMKS-CYBMUJFWSA-N 1 2 368.397 2.186 20 30 FEEDLO C=CC[N@H+](Cc1nc(C(=O)OC)co1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000450395253 560261016 /nfs/dbraw/zinc/26/10/16/560261016.db2.gz QWCJNXFEEUCMKS-CYBMUJFWSA-N 1 2 368.397 2.186 20 30 FEEDLO CC(C)(C)OC(=O)C[NH2+][C@]1(C)CCN(c2cccc(C#N)c2[N+](=O)[O-])C1 ZINC000450498039 560264142 /nfs/dbraw/zinc/26/41/42/560264142.db2.gz FWCRWCOLSPQMLP-GOSISDBHSA-N 1 2 360.414 2.367 20 30 FEEDLO Cc1nn(C)c(N2CC[NH+](CCCC(=O)c3ccccc3)CC2)c1C#N ZINC000450826950 560274875 /nfs/dbraw/zinc/27/48/75/560274875.db2.gz ZGCQRIZRZLHDOA-UHFFFAOYSA-N 1 2 351.454 2.385 20 30 FEEDLO CC[C@@H]1C[N@H+](CCNC(=O)c2cccc(C#N)c2Br)CCO1 ZINC000451245828 560295485 /nfs/dbraw/zinc/29/54/85/560295485.db2.gz UOAPLRDULFLYNP-CYBMUJFWSA-N 1 2 366.259 2.161 20 30 FEEDLO CC[C@@H]1C[N@@H+](CCNC(=O)c2cccc(C#N)c2Br)CCO1 ZINC000451245828 560295486 /nfs/dbraw/zinc/29/54/86/560295486.db2.gz UOAPLRDULFLYNP-CYBMUJFWSA-N 1 2 366.259 2.161 20 30 FEEDLO CC(C)(C)OC(=O)C[NH2+][C@]1(C)CCN(C(=O)[C@@]2(C#N)CC23CCCC3)C1 ZINC000451446697 560307585 /nfs/dbraw/zinc/30/75/85/560307585.db2.gz QPNONEZOEVJTRB-QUCCMNQESA-N 1 2 361.486 2.383 20 30 FEEDLO C[C@@H](O)C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)CC(F)F ZINC000451838010 560331629 /nfs/dbraw/zinc/33/16/29/560331629.db2.gz QIXCLZKADUQZRX-SNVBAGLBSA-N 1 2 357.426 2.385 20 30 FEEDLO C[C@@H](O)C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)CC(F)F ZINC000451838010 560331630 /nfs/dbraw/zinc/33/16/30/560331630.db2.gz QIXCLZKADUQZRX-SNVBAGLBSA-N 1 2 357.426 2.385 20 30 FEEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CC3(CCC3)[C@@H]2c2ccco2)CC1 ZINC000451862815 560333105 /nfs/dbraw/zinc/33/31/05/560333105.db2.gz VRQRSWYXDKEMMG-XLIONFOSSA-N 1 2 370.497 2.499 20 30 FEEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CC3(CCC3)[C@@H]2c2ccco2)CC1 ZINC000451862815 560333106 /nfs/dbraw/zinc/33/31/06/560333106.db2.gz VRQRSWYXDKEMMG-XLIONFOSSA-N 1 2 370.497 2.499 20 30 FEEDLO CCn1cc[nH+]c1CNC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 ZINC000452570599 560367930 /nfs/dbraw/zinc/36/79/30/560367930.db2.gz LDPSZOUCYIRBTJ-ZDUSSCGKSA-N 1 2 371.828 2.097 20 30 FEEDLO C=CC(C)(C)CNC(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000454373345 560442067 /nfs/dbraw/zinc/44/20/67/560442067.db2.gz MQCVYEWABUFDGT-UHFFFAOYSA-N 1 2 361.486 2.409 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCCC[C@@H]3CCOC3)CC2)cc1 ZINC000455563536 560487238 /nfs/dbraw/zinc/48/72/38/560487238.db2.gz PBPAPBLQDDHXAC-LJQANCHMSA-N 1 2 356.470 2.202 20 30 FEEDLO Cc1ccc(CCNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)nc1 ZINC000455603489 560488943 /nfs/dbraw/zinc/48/89/43/560488943.db2.gz FIDLFAYHWCDMTP-UHFFFAOYSA-N 1 2 363.465 2.332 20 30 FEEDLO Cn1c[nH+]c(CCNC(=O)NCC#Cc2cccc(C(F)(F)F)c2)c1 ZINC000457589410 560576633 /nfs/dbraw/zinc/57/66/33/560576633.db2.gz KCSJJTMPFNGGKC-UHFFFAOYSA-N 1 2 350.344 2.332 20 30 FEEDLO CN(CC(C)(C)C#N)C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000458069741 560601894 /nfs/dbraw/zinc/60/18/94/560601894.db2.gz AZAXSEOANCHNBW-UHFFFAOYSA-N 1 2 374.485 2.089 20 30 FEEDLO C=CCC1(CNC(=O)N2CC[C@@H]([N@H+](C)Cc3nccc(N)n3)C2)CCCC1 ZINC000459045249 560663589 /nfs/dbraw/zinc/66/35/89/560663589.db2.gz AMVTWCJLSAIJEU-MRXNPFEDSA-N 1 2 372.517 2.411 20 30 FEEDLO C=CCC1(CNC(=O)N2CC[C@@H]([N@@H+](C)Cc3nccc(N)n3)C2)CCCC1 ZINC000459045249 560663590 /nfs/dbraw/zinc/66/35/90/560663590.db2.gz AMVTWCJLSAIJEU-MRXNPFEDSA-N 1 2 372.517 2.411 20 30 FEEDLO COc1cc(CNC(=O)N(C)Cc2cn3c([nH+]2)CCCC3)ccc1C#N ZINC000462471755 560811512 /nfs/dbraw/zinc/81/15/12/560811512.db2.gz GSJMCANCHLVFQV-UHFFFAOYSA-N 1 2 353.426 2.441 20 30 FEEDLO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000467285977 560907756 /nfs/dbraw/zinc/90/77/56/560907756.db2.gz NTSJTJAQXRFBTP-ZOBUZTSGSA-N 1 2 352.394 2.382 20 30 FEEDLO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000467285977 560907757 /nfs/dbraw/zinc/90/77/57/560907757.db2.gz NTSJTJAQXRFBTP-ZOBUZTSGSA-N 1 2 352.394 2.382 20 30 FEEDLO N#Cc1cc(C(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)ccc1F ZINC000469667499 560961246 /nfs/dbraw/zinc/96/12/46/560961246.db2.gz PYBQINSJFRRFIC-IBGZPJMESA-N 1 2 367.424 2.371 20 30 FEEDLO C[C@@H](C[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1)CS(C)(=O)=O ZINC000471014448 560996403 /nfs/dbraw/zinc/99/64/03/560996403.db2.gz KMTMQLZMMHSJFP-WMLDXEAASA-N 1 2 369.918 2.203 20 30 FEEDLO C[C@H](C(=O)N(C)CCC#N)[NH+]1CCN(c2ccc3ccccc3n2)CC1 ZINC000471203216 561000250 /nfs/dbraw/zinc/00/02/50/561000250.db2.gz KKBVOXLLIORCBL-MRXNPFEDSA-N 1 2 351.454 2.117 20 30 FEEDLO C=CCCC[C@@H](C)NC(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1 ZINC000472114588 561018493 /nfs/dbraw/zinc/01/84/93/561018493.db2.gz GFNXESJKMWYQFK-PVAVHDDUSA-N 1 2 351.470 2.377 20 30 FEEDLO C=CCCC[C@@H](C)NC(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1 ZINC000472114588 561018494 /nfs/dbraw/zinc/01/84/94/561018494.db2.gz GFNXESJKMWYQFK-PVAVHDDUSA-N 1 2 351.470 2.377 20 30 FEEDLO COC(=O)c1oc([C@@H](C)[NH+]2CCN(c3c(C#N)c(C)nn3C)CC2)cc1C ZINC000472155911 561019600 /nfs/dbraw/zinc/01/96/00/561019600.db2.gz MYRBPRSYFOOMJS-CQSZACIVSA-N 1 2 371.441 2.171 20 30 FEEDLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@@H+]1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000472352789 561024937 /nfs/dbraw/zinc/02/49/37/561024937.db2.gz VKVSZRAHKAWARG-MSOLQXFVSA-N 1 2 362.518 2.393 20 30 FEEDLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@H+]1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000472352789 561024938 /nfs/dbraw/zinc/02/49/38/561024938.db2.gz VKVSZRAHKAWARG-MSOLQXFVSA-N 1 2 362.518 2.393 20 30 FEEDLO CCN1CCN(C(=O)N[C@@H](C)c2ccc(C#N)cc2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000474236855 561069080 /nfs/dbraw/zinc/06/90/80/561069080.db2.gz YHBCLMQYPYRVMO-WMLDXEAASA-N 1 2 352.442 2.431 20 30 FEEDLO CCN(CC)C(=O)C[NH+]1CCN(C(=O)C[C@@H](CC#N)c2ccccc2)CC1 ZINC000474413927 561073551 /nfs/dbraw/zinc/07/35/51/561073551.db2.gz MMZRYBOGCNWBSB-LJQANCHMSA-N 1 2 370.497 2.087 20 30 FEEDLO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N1CC[NH+](CCOC)CC1 ZINC000475277121 561093836 /nfs/dbraw/zinc/09/38/36/561093836.db2.gz WGEPGCXMVNLKGT-UHFFFAOYSA-N 1 2 373.497 2.268 20 30 FEEDLO N#Cc1ccccc1OC[C@@H](O)CN1CC[NH+](Cc2ccsc2)CC1 ZINC000528341618 562323652 /nfs/dbraw/zinc/32/36/52/562323652.db2.gz WHXSSUYSZAZCLF-SFHVURJKSA-N 1 2 357.479 2.177 20 30 FEEDLO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000528548609 562335518 /nfs/dbraw/zinc/33/55/18/562335518.db2.gz JOCFIUHMMMNCGD-WIYYLYMNSA-N 1 2 362.433 2.250 20 30 FEEDLO N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000528548609 562335519 /nfs/dbraw/zinc/33/55/19/562335519.db2.gz JOCFIUHMMMNCGD-WIYYLYMNSA-N 1 2 362.433 2.250 20 30 FEEDLO N#Cc1ccc(-c2nnc(C[NH2+][C@@]3(CO)COc4ccccc4C3)o2)cc1 ZINC000528650131 562340406 /nfs/dbraw/zinc/34/04/06/562340406.db2.gz JUBYEEYUMYYIAK-FQEVSTJZSA-N 1 2 362.389 2.064 20 30 FEEDLO Cc1nn(C)c(N2CC[NH+](Cc3cnc([C@@H]4CCCO4)s3)CC2)c1C#N ZINC000530407259 562410087 /nfs/dbraw/zinc/41/00/87/562410087.db2.gz IYIWPXLLOQFDAF-INIZCTEOSA-N 1 2 372.498 2.230 20 30 FEEDLO C[C@H]1CN(c2ccc(CNC(=O)Cc3cccc(C#N)c3)c[nH+]2)CCO1 ZINC000531384693 562444097 /nfs/dbraw/zinc/44/40/97/562444097.db2.gz UATAPQCABVJHOY-HNNXBMFYSA-N 1 2 350.422 2.037 20 30 FEEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCCC[C@@H]1c1nc2ccccc2n1C ZINC000533065989 562497032 /nfs/dbraw/zinc/49/70/32/562497032.db2.gz IBVFXWRLNWEKQV-MRXNPFEDSA-N 1 2 355.442 2.112 20 30 FEEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCCC[C@@H]1c1nc2ccccc2n1C ZINC000533065989 562497033 /nfs/dbraw/zinc/49/70/33/562497033.db2.gz IBVFXWRLNWEKQV-MRXNPFEDSA-N 1 2 355.442 2.112 20 30 FEEDLO CSc1[nH]c(=O)c(C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)cc1C#N ZINC000535231391 562553554 /nfs/dbraw/zinc/55/35/54/562553554.db2.gz POSFZQHNWMQIQL-ZDUSSCGKSA-N 1 2 360.483 2.185 20 30 FEEDLO N#Cc1ccc(C[C@@H](C#N)C(=O)N2CC[NH+](CCc3ccncc3)CC2)cc1 ZINC000602199127 567950672 /nfs/dbraw/zinc/95/06/72/567950672.db2.gz NAKFKZGYCPFFSI-NRFANRHFSA-N 1 2 373.460 2.022 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)c1 ZINC000602854547 568002082 /nfs/dbraw/zinc/00/20/82/568002082.db2.gz BTYRYAQVPMUXCZ-KDURUIRLSA-N 1 2 367.497 2.468 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)c1 ZINC000602854547 568002083 /nfs/dbraw/zinc/00/20/83/568002083.db2.gz BTYRYAQVPMUXCZ-KDURUIRLSA-N 1 2 367.497 2.468 20 30 FEEDLO CC(C)c1ccc(CCNC(=O)C[N@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)cc1 ZINC000602856569 568002531 /nfs/dbraw/zinc/00/25/31/568002531.db2.gz KWYHIFAZZZFACQ-HDICACEKSA-N 1 2 356.514 2.387 20 30 FEEDLO CC(C)c1ccc(CCNC(=O)C[N@@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)cc1 ZINC000602856569 568002533 /nfs/dbraw/zinc/00/25/33/568002533.db2.gz KWYHIFAZZZFACQ-HDICACEKSA-N 1 2 356.514 2.387 20 30 FEEDLO Cc1ccc(SCCNC(=O)C[N@@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)cc1 ZINC000602857545 568002776 /nfs/dbraw/zinc/00/27/76/568002776.db2.gz SKWHXXQFMGKPBL-CALCHBBNSA-N 1 2 360.527 2.122 20 30 FEEDLO Cc1ccc(SCCNC(=O)C[N@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)cc1 ZINC000602857545 568002777 /nfs/dbraw/zinc/00/27/77/568002777.db2.gz SKWHXXQFMGKPBL-CALCHBBNSA-N 1 2 360.527 2.122 20 30 FEEDLO CCCOCc1ccccc1CNC(=O)C[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602867634 568008489 /nfs/dbraw/zinc/00/84/89/568008489.db2.gz ZIPGGQJNRZKOBK-QZTJIDSGSA-N 1 2 372.513 2.148 20 30 FEEDLO CC(C)Oc1ccc(CCNC(=O)C[N@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)cc1 ZINC000602867219 568008494 /nfs/dbraw/zinc/00/84/94/568008494.db2.gz XONZOVWWBWAAPT-HDICACEKSA-N 1 2 372.513 2.051 20 30 FEEDLO CC(C)Oc1ccc(CCNC(=O)C[N@@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)cc1 ZINC000602867219 568008496 /nfs/dbraw/zinc/00/84/96/568008496.db2.gz XONZOVWWBWAAPT-HDICACEKSA-N 1 2 372.513 2.051 20 30 FEEDLO N#CC1(C(=O)Nc2ccc3[nH]c(N4CCOCC4)[nH+]c3c2)CC2(CC2)C1 ZINC000602793962 568034676 /nfs/dbraw/zinc/03/46/76/568034676.db2.gz UPAURCSGMJCXEB-UHFFFAOYSA-N 1 2 351.410 2.422 20 30 FEEDLO C[N@H+](CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)[C@H]1CCC[C@@H]1C#N ZINC000602973893 568035085 /nfs/dbraw/zinc/03/50/85/568035085.db2.gz HDWKTVFCACXAKA-MJGOQNOKSA-N 1 2 368.481 2.488 20 30 FEEDLO C[N@@H+](CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)[C@H]1CCC[C@@H]1C#N ZINC000602973893 568035087 /nfs/dbraw/zinc/03/50/87/568035087.db2.gz HDWKTVFCACXAKA-MJGOQNOKSA-N 1 2 368.481 2.488 20 30 FEEDLO C[N@H+](CC(=O)NCc1ccc(C(=O)N2CCCC2)cc1)[C@@H]1CCC[C@H]1C#N ZINC000602975381 568035854 /nfs/dbraw/zinc/03/58/54/568035854.db2.gz AETOOMGBNMPNOO-RBUKOAKNSA-N 1 2 368.481 2.163 20 30 FEEDLO C[N@@H+](CC(=O)NCc1ccc(C(=O)N2CCCC2)cc1)[C@@H]1CCC[C@H]1C#N ZINC000602975381 568035855 /nfs/dbraw/zinc/03/58/55/568035855.db2.gz AETOOMGBNMPNOO-RBUKOAKNSA-N 1 2 368.481 2.163 20 30 FEEDLO COC(=O)c1cccc(C[N@@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)c1C#N ZINC000569071290 568270509 /nfs/dbraw/zinc/27/05/09/568270509.db2.gz OEAGSBIJOGSLCP-DOMZBBRYSA-N 1 2 356.344 2.480 20 30 FEEDLO COC(=O)c1cccc(C[N@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)c1C#N ZINC000569071290 568270511 /nfs/dbraw/zinc/27/05/11/568270511.db2.gz OEAGSBIJOGSLCP-DOMZBBRYSA-N 1 2 356.344 2.480 20 30 FEEDLO N#CCC[C@@H](C#N)C[NH+]1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737684977 598789182 /nfs/dbraw/zinc/78/91/82/598789182.db2.gz RNRNWXIMLIKKND-AWEZNQCLSA-N 1 2 351.414 2.153 20 30 FEEDLO N#Cc1ccc([C@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)C(=O)[O-])cc1 ZINC000739108961 600592016 /nfs/dbraw/zinc/59/20/16/600592016.db2.gz ZDXRSBMTJMEBAW-FQEVSTJZSA-N 1 2 365.433 2.306 20 30 FEEDLO N#Cc1cc(S(=O)(=O)N[C@@H]2CCn3cc[nH+]c3C2)ccc1C(F)(F)F ZINC000558593935 674505732 /nfs/dbraw/zinc/50/57/32/674505732.db2.gz VQCNSXSNKOMHJV-LLVKDONJSA-N 1 2 370.356 2.067 20 30 FEEDLO N#Cc1ccc(N2CC[NH+](Cc3cc(-c4nn[nH]n4)cs3)CC2)c(F)c1 ZINC000826385299 608640857 /nfs/dbraw/zinc/64/08/57/608640857.db2.gz GAFNPGDIWLJWCI-UHFFFAOYSA-N 1 2 369.429 2.261 20 30 FEEDLO COc1cccc(CNC(=O)CO[NH+]=C(N)Cc2ccc(Cl)cc2)c1 ZINC000106067204 670808453 /nfs/dbraw/zinc/80/84/53/670808453.db2.gz MHYYETFVODMROL-UHFFFAOYSA-N 1 2 361.829 2.496 20 30 FEEDLO N#Cc1c(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)nc2n1CCS2 ZINC000580119454 671784026 /nfs/dbraw/zinc/78/40/26/671784026.db2.gz DKJMFWXZTBNGJK-UHFFFAOYSA-N 1 2 350.407 2.358 20 30 FEEDLO C[C@@H](Sc1cccnc1C#N)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000581439121 671897550 /nfs/dbraw/zinc/89/75/50/671897550.db2.gz KLIIIFNMHOJWCK-CQSZACIVSA-N 1 2 353.451 2.178 20 30 FEEDLO Cc1nsc(N2CC[NH+](CCOc3ccc(C#N)cc3)CC2)c1C#N ZINC000581457824 671898920 /nfs/dbraw/zinc/89/89/20/671898920.db2.gz NRRSNFZIWUZPAM-UHFFFAOYSA-N 1 2 353.451 2.396 20 30 FEEDLO Cc1ccccc1CC(N)=[NH+]OCc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000120376617 671924115 /nfs/dbraw/zinc/92/41/15/671924115.db2.gz NXZCKJHKVSNZIG-UHFFFAOYSA-N 1 2 361.467 2.277 20 30 FEEDLO N#Cc1cc(F)c(S(=O)(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c(F)c1 ZINC000610711262 675990986 /nfs/dbraw/zinc/99/09/86/675990986.db2.gz SOCCQMYPEAKLTD-GFCCVEGCSA-N 1 2 352.366 2.059 20 30 FEEDLO COc1cccc(F)c1[C@H](C)[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000588965339 672496286 /nfs/dbraw/zinc/49/62/86/672496286.db2.gz MFNQKOYJKDFMFT-LBPRGKRZSA-N 1 2 363.414 2.225 20 30 FEEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2cc3c(cc2Br)OCCO3)C1 ZINC000592147209 672764087 /nfs/dbraw/zinc/76/40/87/672764087.db2.gz JNKWUYINFNWNJW-OAHLLOKOSA-N 1 2 353.216 2.071 20 30 FEEDLO N#CC[C@@]1(O)CC[N@H+](Cc2cc3c(cc2Br)OCCO3)C1 ZINC000592147209 672764086 /nfs/dbraw/zinc/76/40/86/672764086.db2.gz JNKWUYINFNWNJW-OAHLLOKOSA-N 1 2 353.216 2.071 20 30 FEEDLO C=CCNS(=O)(=O)c1cccc(C(=O)Nc2ccn3cc[nH+]c3c2)c1 ZINC000684821279 672968562 /nfs/dbraw/zinc/96/85/62/672968562.db2.gz YXIPNUNORJFDPZ-UHFFFAOYSA-N 1 2 356.407 2.051 20 30 FEEDLO C[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1ccc2c(c1)OC(F)(F)O2 ZINC000594034369 673023712 /nfs/dbraw/zinc/02/37/12/673023712.db2.gz CJXFKFHQAPRRQI-INIZCTEOSA-N 1 2 351.353 2.248 20 30 FEEDLO C[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1ccc2c(c1)OC(F)(F)O2 ZINC000594034369 673023716 /nfs/dbraw/zinc/02/37/16/673023716.db2.gz CJXFKFHQAPRRQI-INIZCTEOSA-N 1 2 351.353 2.248 20 30 FEEDLO CCC(=O)N1CSC[C@@H]1C(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000328875967 673068591 /nfs/dbraw/zinc/06/85/91/673068591.db2.gz JZQFIXAMEXJRTR-MRXNPFEDSA-N 1 2 363.483 2.418 20 30 FEEDLO N#Cc1cc(F)c(N2CC[NH+]([C@@H]3CCOC3)CC2)cc1Br ZINC000594565886 673098020 /nfs/dbraw/zinc/09/80/20/673098020.db2.gz QQHGHRRDTDJAIJ-GFCCVEGCSA-N 1 2 354.223 2.371 20 30 FEEDLO CC(=O)Nc1ccc(S(=O)(=O)CCC[N@@H+]2CCC[C@H](CC#N)C2)cc1 ZINC000595614672 673273920 /nfs/dbraw/zinc/27/39/20/673273920.db2.gz MHYBOQJHHOPHLJ-MRXNPFEDSA-N 1 2 363.483 2.434 20 30 FEEDLO CC(=O)Nc1ccc(S(=O)(=O)CCC[N@H+]2CCC[C@H](CC#N)C2)cc1 ZINC000595614672 673273922 /nfs/dbraw/zinc/27/39/22/673273922.db2.gz MHYBOQJHHOPHLJ-MRXNPFEDSA-N 1 2 363.483 2.434 20 30 FEEDLO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](CO)c1cccc(Cl)c1Cl ZINC000595828263 673328236 /nfs/dbraw/zinc/32/82/36/673328236.db2.gz JOCDSTDTVTXOCC-CABZTGNLSA-N 1 2 360.241 2.017 20 30 FEEDLO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](CO)c1cccc(Cl)c1Cl ZINC000595828265 673328385 /nfs/dbraw/zinc/32/83/85/673328385.db2.gz JOCDSTDTVTXOCC-SKDRFNHKSA-N 1 2 360.241 2.017 20 30 FEEDLO CC(C)NC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000595851321 673330276 /nfs/dbraw/zinc/33/02/76/673330276.db2.gz QXJNUUSONCTVPX-CQSZACIVSA-N 1 2 362.861 2.387 20 30 FEEDLO CC(C)NC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000595851321 673330279 /nfs/dbraw/zinc/33/02/79/673330279.db2.gz QXJNUUSONCTVPX-CQSZACIVSA-N 1 2 362.861 2.387 20 30 FEEDLO CCC1(CC)C[N@H+](C[C@H](O)COc2ccc(CC#N)cc2)CC[S@]1=O ZINC000613585399 676135488 /nfs/dbraw/zinc/13/54/88/676135488.db2.gz UIXGZWQZBXLNME-SSOJOUAXSA-N 1 2 364.511 2.115 20 30 FEEDLO CCC1(CC)C[N@@H+](C[C@H](O)COc2ccc(CC#N)cc2)CC[S@]1=O ZINC000613585399 676135490 /nfs/dbraw/zinc/13/54/90/676135490.db2.gz UIXGZWQZBXLNME-SSOJOUAXSA-N 1 2 364.511 2.115 20 30 FEEDLO C[N@@H+]1CCO[C@@H]([C@H](NC(=O)NCCCC#N)c2ccc(Cl)cc2)C1 ZINC000543335828 673640161 /nfs/dbraw/zinc/64/01/61/673640161.db2.gz KTPVCMYRPLPRNR-HZPDHXFCSA-N 1 2 350.850 2.315 20 30 FEEDLO C[N@H+]1CCO[C@@H]([C@H](NC(=O)NCCCC#N)c2ccc(Cl)cc2)C1 ZINC000543335828 673640163 /nfs/dbraw/zinc/64/01/63/673640163.db2.gz KTPVCMYRPLPRNR-HZPDHXFCSA-N 1 2 350.850 2.315 20 30 FEEDLO N#CCc1ccccc1S(=O)(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000601470260 673867873 /nfs/dbraw/zinc/86/78/73/673867873.db2.gz RTJWZWDXVXHIIW-GOSISDBHSA-N 1 2 355.463 2.305 20 30 FEEDLO N#CCc1ccccc1S(=O)(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000601470260 673867878 /nfs/dbraw/zinc/86/78/78/673867878.db2.gz RTJWZWDXVXHIIW-GOSISDBHSA-N 1 2 355.463 2.305 20 30 FEEDLO COCCS(=O)(=O)c1ccc(C[NH2+]Cc2cccc(F)c2C#N)cc1 ZINC000602016270 673901020 /nfs/dbraw/zinc/90/10/20/673901020.db2.gz FPRQNEVNYAEXSX-UHFFFAOYSA-N 1 2 362.426 2.407 20 30 FEEDLO N#Cc1cc(CS(=O)(=O)Cc2c[nH+]cn2Cc2ccccc2)ccn1 ZINC000614965494 676198313 /nfs/dbraw/zinc/19/83/13/676198313.db2.gz PSSZYAZTNYXFJJ-UHFFFAOYSA-N 1 2 352.419 2.313 20 30 FEEDLO O=S(=O)(NC[C@@H]1CCC[N@@H+](CC#Cc2ccccc2Cl)C1)C1CC1 ZINC000567424629 675292119 /nfs/dbraw/zinc/29/21/19/675292119.db2.gz IUKFQBSKDAXRML-HNNXBMFYSA-N 1 2 366.914 2.485 20 30 FEEDLO O=S(=O)(NC[C@@H]1CCC[N@H+](CC#Cc2ccccc2Cl)C1)C1CC1 ZINC000567424629 675292121 /nfs/dbraw/zinc/29/21/21/675292121.db2.gz IUKFQBSKDAXRML-HNNXBMFYSA-N 1 2 366.914 2.485 20 30 FEEDLO C#C[C@H](NC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccc(Cl)cc1F ZINC000820749889 675384968 /nfs/dbraw/zinc/38/49/68/675384968.db2.gz GWSJZHXBOPNOAA-VBQJREDUSA-N 1 2 365.836 2.316 20 30 FEEDLO C#C[C@H](NC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccc(Cl)cc1F ZINC000820749889 675384969 /nfs/dbraw/zinc/38/49/69/675384969.db2.gz GWSJZHXBOPNOAA-VBQJREDUSA-N 1 2 365.836 2.316 20 30 FEEDLO CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)c1 ZINC000824658741 675615242 /nfs/dbraw/zinc/61/52/42/675615242.db2.gz PCVXKHACVVBDGO-MRXNPFEDSA-N 1 2 362.495 2.086 20 30 FEEDLO CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)c1 ZINC000824658741 675615246 /nfs/dbraw/zinc/61/52/46/675615246.db2.gz PCVXKHACVVBDGO-MRXNPFEDSA-N 1 2 362.495 2.086 20 30 FEEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000625972142 676680761 /nfs/dbraw/zinc/68/07/61/676680761.db2.gz ZKKSUIQUEQKMIA-KDURUIRLSA-N 1 2 364.511 2.216 20 30 FEEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000625972142 676680762 /nfs/dbraw/zinc/68/07/62/676680762.db2.gz ZKKSUIQUEQKMIA-KDURUIRLSA-N 1 2 364.511 2.216 20 30 FEEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCCN(c3ccccc3Cl)C2=O)nn1 ZINC000641071321 677194064 /nfs/dbraw/zinc/19/40/64/677194064.db2.gz AIXCXPZBSXZWJM-QGZVFWFLSA-N 1 2 357.845 2.413 20 30 FEEDLO C=CCNS(=O)(=O)c1ccccc1N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000641460602 677206824 /nfs/dbraw/zinc/20/68/24/677206824.db2.gz VAQKXCUXBSUVRR-HNNXBMFYSA-N 1 2 358.467 2.237 20 30 FEEDLO CC#CC[C@H](CO)NC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000645391143 677258727 /nfs/dbraw/zinc/25/87/27/677258727.db2.gz HOWPUFLWGNVFBS-COXVUDFISA-N 1 2 367.852 2.298 20 30 FEEDLO CC#CC[C@H](CO)NC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000645391143 677258728 /nfs/dbraw/zinc/25/87/28/677258728.db2.gz HOWPUFLWGNVFBS-COXVUDFISA-N 1 2 367.852 2.298 20 30 FEEDLO C#C[C@@H]1COCCN1C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000838535993 680699444 /nfs/dbraw/zinc/69/94/44/680699444.db2.gz OYDPEKGCHDPUQZ-COXVUDFISA-N 1 2 365.836 2.268 20 30 FEEDLO C#C[C@@H]1COCCN1C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000838535993 680699447 /nfs/dbraw/zinc/69/94/47/680699447.db2.gz OYDPEKGCHDPUQZ-COXVUDFISA-N 1 2 365.836 2.268 20 30 FEEDLO C=CCN1CCN(C[N@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)C1=O ZINC000840042599 680794681 /nfs/dbraw/zinc/79/46/81/680794681.db2.gz GUXVYTHPHPTAGA-CYBMUJFWSA-N 1 2 357.380 2.420 20 30 FEEDLO C=CCN1CCN(C[N@@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)C1=O ZINC000840042599 680794683 /nfs/dbraw/zinc/79/46/83/680794683.db2.gz GUXVYTHPHPTAGA-CYBMUJFWSA-N 1 2 357.380 2.420 20 30 FEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2snnc2C)C1 ZINC001008807382 679961419 /nfs/dbraw/zinc/96/14/19/679961419.db2.gz CAUPZMGYIHNIAV-VYDXJSESSA-N 1 2 364.515 2.298 20 30 FEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2snnc2C)C1 ZINC001008807382 679961422 /nfs/dbraw/zinc/96/14/22/679961422.db2.gz CAUPZMGYIHNIAV-VYDXJSESSA-N 1 2 364.515 2.298 20 30 FEEDLO Cc1cccn2cc(CCNS(=O)(=O)c3cccc(F)c3C#N)[nH+]c12 ZINC000751468072 680179479 /nfs/dbraw/zinc/17/94/79/680179479.db2.gz LCLKBUPLLXNKLR-UHFFFAOYSA-N 1 2 358.398 2.175 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[N@@H+](Cc2cc(OC)ns2)CC1 ZINC000982173210 680272623 /nfs/dbraw/zinc/27/26/23/680272623.db2.gz HUGNPKMSJDGRCY-RDJZCZTQSA-N 1 2 365.499 2.167 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[N@H+](Cc2cc(OC)ns2)CC1 ZINC000982173210 680272624 /nfs/dbraw/zinc/27/26/24/680272624.db2.gz HUGNPKMSJDGRCY-RDJZCZTQSA-N 1 2 365.499 2.167 20 30 FEEDLO C=C(Br)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001024667143 680299638 /nfs/dbraw/zinc/29/96/38/680299638.db2.gz DMVNJHKNZCZQJC-YJNKXOJESA-N 1 2 357.292 2.433 20 30 FEEDLO C=C(Br)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001024667143 680299640 /nfs/dbraw/zinc/29/96/40/680299640.db2.gz DMVNJHKNZCZQJC-YJNKXOJESA-N 1 2 357.292 2.433 20 30 FEEDLO C=C(Br)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1 ZINC001028152311 680371528 /nfs/dbraw/zinc/37/15/28/680371528.db2.gz SAMKAPWXXYGCSR-SOUVJXGZSA-N 1 2 367.291 2.013 20 30 FEEDLO C=C(Br)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1 ZINC001028152311 680371534 /nfs/dbraw/zinc/37/15/34/680371534.db2.gz SAMKAPWXXYGCSR-SOUVJXGZSA-N 1 2 367.291 2.013 20 30 FEEDLO C#CCOCCC(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000755440560 680414600 /nfs/dbraw/zinc/41/46/00/680414600.db2.gz DIKGOQBYLNBHGI-UHFFFAOYSA-N 1 2 354.372 2.390 20 30 FEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CN(c3ccccn3)C[C@H]2C)C1 ZINC001033083906 680416171 /nfs/dbraw/zinc/41/61/71/680416171.db2.gz CLBMCJHTIHOTAO-DJIMGWMZSA-N 1 2 362.905 2.439 20 30 FEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CN(c3ccccn3)C[C@H]2C)C1 ZINC001033083906 680416173 /nfs/dbraw/zinc/41/61/73/680416173.db2.gz CLBMCJHTIHOTAO-DJIMGWMZSA-N 1 2 362.905 2.439 20 30 FEEDLO C=C(Br)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2C2CCOCC2)C1 ZINC001033260332 680421005 /nfs/dbraw/zinc/42/10/05/680421005.db2.gz WQADUGXOQNTDFA-HRCADAONSA-N 1 2 371.319 2.490 20 30 FEEDLO C=C(Br)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2C2CCOCC2)C1 ZINC001033260332 680421007 /nfs/dbraw/zinc/42/10/07/680421007.db2.gz WQADUGXOQNTDFA-HRCADAONSA-N 1 2 371.319 2.490 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1CC[NH+](Cc2nnc(CC)s2)CC1 ZINC001001852115 680478535 /nfs/dbraw/zinc/47/85/35/680478535.db2.gz SAFVHVDRHLQNFO-CABCVRRESA-N 1 2 364.515 2.020 20 30 FEEDLO C=CCN(CC(=O)OCC)C(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000757966363 680546291 /nfs/dbraw/zinc/54/62/91/680546291.db2.gz PCVKCBMKVWCVHK-UHFFFAOYSA-N 1 2 361.467 2.454 20 30 FEEDLO Cc1nsc(N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@H]2C)c1C#N ZINC001043598381 680590342 /nfs/dbraw/zinc/59/03/42/680590342.db2.gz DOROFUNTFYOAID-SDBHATRESA-N 1 2 356.455 2.109 20 30 FEEDLO Cc1nsc(N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@H]2C)c1C#N ZINC001043598381 680590346 /nfs/dbraw/zinc/59/03/46/680590346.db2.gz DOROFUNTFYOAID-SDBHATRESA-N 1 2 356.455 2.109 20 30 FEEDLO NC(=NOCc1ccc(Cl)cn1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000767547975 680916013 /nfs/dbraw/zinc/91/60/13/680916013.db2.gz KBCHQASOWIJTAX-UHFFFAOYSA-N 1 2 360.845 2.404 20 30 FEEDLO CCc1nc(NC(=O)C[N@H+](C)C[C@@H](O)c2cccc(C#N)c2)sc1C ZINC000844366005 681054172 /nfs/dbraw/zinc/05/41/72/681054172.db2.gz KQSDSJXERQGVRF-MRXNPFEDSA-N 1 2 358.467 2.490 20 30 FEEDLO CCc1nc(NC(=O)C[N@@H+](C)C[C@@H](O)c2cccc(C#N)c2)sc1C ZINC000844366005 681054175 /nfs/dbraw/zinc/05/41/75/681054175.db2.gz KQSDSJXERQGVRF-MRXNPFEDSA-N 1 2 358.467 2.490 20 30 FEEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3ccsc3)C2)CC1 ZINC001052043308 681070810 /nfs/dbraw/zinc/07/08/10/681070810.db2.gz URVFKSYYWFIKMB-CEXWTWQISA-N 1 2 357.523 2.093 20 30 FEEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCCC[C@H]1C(F)(F)F)CO2 ZINC001053832189 681104336 /nfs/dbraw/zinc/10/43/36/681104336.db2.gz CMMHRYNQKTWPCY-RBSFLKMASA-N 1 2 358.404 2.338 20 30 FEEDLO O=[N+]([O-])c1ccc(CS(=O)(=O)NN=C2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000848403991 681535904 /nfs/dbraw/zinc/53/59/04/681535904.db2.gz HJNDBTXEUIGFQW-INIZCTEOSA-N 1 2 366.443 2.019 20 30 FEEDLO O=[N+]([O-])c1ccc(CS(=O)(=O)NN=C2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000848403991 681535913 /nfs/dbraw/zinc/53/59/13/681535913.db2.gz HJNDBTXEUIGFQW-INIZCTEOSA-N 1 2 366.443 2.019 20 30 FEEDLO Cc1nn(-c2ccccc2Br)cc1C=NNC1=[NH+]C[C@@H](C)N1 ZINC000848408290 681536327 /nfs/dbraw/zinc/53/63/27/681536327.db2.gz IGNHDPXHFDAHJR-SNVBAGLBSA-N 1 2 361.247 2.214 20 30 FEEDLO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CC[C@H](O)[C@H](F)C3)sc2C1 ZINC000934578324 681595686 /nfs/dbraw/zinc/59/56/86/681595686.db2.gz SHMYITQCPZJDFF-DFBGVHRSSA-N 1 2 365.474 2.478 20 30 FEEDLO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CC[C@H](O)[C@H](F)C3)sc2C1 ZINC000934578324 681595690 /nfs/dbraw/zinc/59/56/90/681595690.db2.gz SHMYITQCPZJDFF-DFBGVHRSSA-N 1 2 365.474 2.478 20 30 FEEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@@H](C)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000949361870 681634401 /nfs/dbraw/zinc/63/44/01/681634401.db2.gz ITCUCOHJWHCFJF-QMTHXVAHSA-N 1 2 352.866 2.002 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC2(CC1)C[N@H+](C[C@H](F)CC)CCO2 ZINC000949477190 681643221 /nfs/dbraw/zinc/64/32/21/681643221.db2.gz RVKBUXUFPBBFDF-ZACQAIPSSA-N 1 2 354.466 2.019 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC2(CC1)C[N@@H+](C[C@H](F)CC)CCO2 ZINC000949477190 681643223 /nfs/dbraw/zinc/64/32/23/681643223.db2.gz RVKBUXUFPBBFDF-ZACQAIPSSA-N 1 2 354.466 2.019 20 30 FEEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3C[C@H]3c3ccc(C)s3)CC2)C1 ZINC000949489414 681643675 /nfs/dbraw/zinc/64/36/75/681643675.db2.gz CGASYDCXJGVPGC-IAGOWNOFSA-N 1 2 358.507 2.487 20 30 FEEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3C[C@H]3c3ccc(C)s3)CC2)C1 ZINC000949489414 681643679 /nfs/dbraw/zinc/64/36/79/681643679.db2.gz CGASYDCXJGVPGC-IAGOWNOFSA-N 1 2 358.507 2.487 20 30 FEEDLO C[C@@H]1CCCCN1C(=O)CO[NH+]=C(N)c1ccc(Br)cc1 ZINC000782948635 682097916 /nfs/dbraw/zinc/09/79/16/682097916.db2.gz NFGBXDRGJUABOL-LLVKDONJSA-N 1 2 354.248 2.487 20 30 FEEDLO c1cn(-c2csc(CN=Nc3nccc(N4CCOCC4)n3)c2)c[nH+]1 ZINC000783853900 682181392 /nfs/dbraw/zinc/18/13/92/682181392.db2.gz HLRKOWSHRGMZON-UHFFFAOYSA-N 1 2 355.427 2.006 20 30 FEEDLO C=C(Br)C[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@]12C[C@H]1COC2 ZINC000968863258 682246572 /nfs/dbraw/zinc/24/65/72/682246572.db2.gz BPTHGXREMZTQDK-LZWOXQAQSA-N 1 2 357.292 2.292 20 30 FEEDLO C=C(Br)C[N@H+]1CCCCC[C@@H]1CNC(=O)[C@]12C[C@H]1COC2 ZINC000968863258 682246576 /nfs/dbraw/zinc/24/65/76/682246576.db2.gz BPTHGXREMZTQDK-LZWOXQAQSA-N 1 2 357.292 2.292 20 30 FEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCCO[C@H]2c2cnn(C)c2)C1 ZINC000969865740 682279592 /nfs/dbraw/zinc/27/95/92/682279592.db2.gz QHXMOVIPLCZYQD-XYPHTWIQSA-N 1 2 366.893 2.077 20 30 FEEDLO C#CCCCOc1ccc[nH+]c1NC[C@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000853616117 682445641 /nfs/dbraw/zinc/44/56/41/682445641.db2.gz SLPGMDOPXFDVST-CVEARBPZSA-N 1 2 365.499 2.394 20 30 FEEDLO N#Cc1ccc(OCC(=O)N[C@@H]2CCn3c[nH+]cc32)cc1Br ZINC000857977047 682929036 /nfs/dbraw/zinc/92/90/36/682929036.db2.gz QSCQPAUFDHGXEA-CYBMUJFWSA-N 1 2 361.199 2.157 20 30 FEEDLO C#CC[C@H](COC)NC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000858332745 682958132 /nfs/dbraw/zinc/95/81/32/682958132.db2.gz NHIROMDKXBSXPG-COXVUDFISA-N 1 2 351.397 2.048 20 30 FEEDLO C#CC[C@H](COC)NC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000858332745 682958135 /nfs/dbraw/zinc/95/81/35/682958135.db2.gz NHIROMDKXBSXPG-COXVUDFISA-N 1 2 351.397 2.048 20 30 FEEDLO C#CC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccc(I)cc1 ZINC000794342939 682959137 /nfs/dbraw/zinc/95/91/37/682959137.db2.gz AEEBYVVZOHRVAH-AWEZNQCLSA-N 1 2 368.218 2.005 20 30 FEEDLO C#CC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccc(I)cc1 ZINC000794342939 682959143 /nfs/dbraw/zinc/95/91/43/682959143.db2.gz AEEBYVVZOHRVAH-AWEZNQCLSA-N 1 2 368.218 2.005 20 30 FEEDLO Cc1nn(-c2ccccn2)c(Cl)c1C=NNC1=[NH+][C@@H]2CCCC[C@@H]2N1 ZINC000794923558 683003757 /nfs/dbraw/zinc/00/37/57/683003757.db2.gz PNJLNFIOSVNAEC-OKILXGFUSA-N 1 2 357.849 2.423 20 30 FEEDLO O=C1C=C([NH2+]Nc2ccc(S(=O)(=O)C(F)F)cc2)[C@@H]2CCCCN12 ZINC000799478367 683458425 /nfs/dbraw/zinc/45/84/25/683458425.db2.gz CQSBZOFKOIUDBK-ZDUSSCGKSA-N 1 2 357.382 2.236 20 30 FEEDLO C[C@@](O)(C[NH+]1CCN(c2ncccc2C#N)CC1)C(F)(F)C(F)(F)F ZINC000929150169 683552725 /nfs/dbraw/zinc/55/27/25/683552725.db2.gz PACJBXIBMZZJGS-CYBMUJFWSA-N 1 2 364.318 2.024 20 30 FEEDLO O=C1Nc2ccc(OC(F)(F)F)cc2C1=NNCCCn1cc[nH+]c1 ZINC000863126132 683678226 /nfs/dbraw/zinc/67/82/26/683678226.db2.gz DXWOQXIMRYUPGE-UHFFFAOYSA-N 1 2 353.304 2.118 20 30 FEEDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)NCc1ccc(C#N)c(Cl)c1 ZINC000922374642 683709805 /nfs/dbraw/zinc/70/98/05/683709805.db2.gz NZSUBICXMZSJLD-HNNXBMFYSA-N 1 2 350.850 2.122 20 30 FEEDLO C#CC1(O)CC[NH+](CC(=O)Nc2ccc(Br)c(C)c2)CC1 ZINC000931142924 683841029 /nfs/dbraw/zinc/84/10/29/683841029.db2.gz ARIXBPNJKHOZOV-UHFFFAOYSA-N 1 2 351.244 2.156 20 30 FEEDLO C#CC1(O)CC[NH+](CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000931144650 683841356 /nfs/dbraw/zinc/84/13/56/683841356.db2.gz ZTRQHXNJPVTQEO-UHFFFAOYSA-N 1 2 358.772 2.340 20 30 FEEDLO N#Cc1ccc(COC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)c(Cl)c1 ZINC000923771691 684348454 /nfs/dbraw/zinc/34/84/54/684348454.db2.gz CXRRALGGOMZNQI-WBVHZDCISA-N 1 2 364.829 2.135 20 30 FEEDLO C[NH+](C)Cc1csc(CNC(=O)N[C@H]2Cc3ccc(C#N)cc3C2)n1 ZINC000923944128 684373004 /nfs/dbraw/zinc/37/30/04/684373004.db2.gz VHFSRKZDEOVWPH-HNNXBMFYSA-N 1 2 355.467 2.043 20 30 FEEDLO C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000868264353 684472177 /nfs/dbraw/zinc/47/21/77/684472177.db2.gz KMWINJONJOKAEM-OCCSQVGLSA-N 1 2 368.865 2.350 20 30 FEEDLO C#CCC1(O)CC[NH+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000880480467 687052480 /nfs/dbraw/zinc/05/24/80/687052480.db2.gz ULBNJFZUTUHPHP-UHFFFAOYSA-N 1 2 351.790 2.037 20 30 FEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000884117896 687793751 /nfs/dbraw/zinc/79/37/51/687793751.db2.gz OWVWLVQJZVCCGQ-FPMFFAJLSA-N 1 2 356.344 2.124 20 30 FEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000884177093 687808448 /nfs/dbraw/zinc/80/84/48/687808448.db2.gz ACLZAMSDHAUJPH-JSGCOSHPSA-N 1 2 359.451 2.406 20 30 FEEDLO N#Cc1ccc(F)c(NC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)c1 ZINC000888355266 688592507 /nfs/dbraw/zinc/59/25/07/688592507.db2.gz NFCMHEJIZLZMDY-QGZVFWFLSA-N 1 2 364.446 2.027 20 30 FEEDLO CSc1ccc(CNC(=O)NCC[N@@H+]2C[C@H](C)OC[C@H]2C)cc1C#N ZINC000890447663 688921397 /nfs/dbraw/zinc/92/13/97/688921397.db2.gz KCGXSKMEABEZPY-KGLIPLIRSA-N 1 2 362.499 2.189 20 30 FEEDLO CSc1ccc(CNC(=O)NCC[N@H+]2C[C@H](C)OC[C@H]2C)cc1C#N ZINC000890447663 688921400 /nfs/dbraw/zinc/92/14/00/688921400.db2.gz KCGXSKMEABEZPY-KGLIPLIRSA-N 1 2 362.499 2.189 20 30 FEEDLO Cc1cc(C#N)cc(C)c1C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000893041731 689285806 /nfs/dbraw/zinc/28/58/06/689285806.db2.gz OABGYQBAFBKAEL-IBGZPJMESA-N 1 2 359.495 2.113 20 30 FEEDLO C=CCOc1cc(C)nc(N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)n1 ZINC001165010864 721705304 /nfs/dbraw/zinc/70/53/04/721705304.db2.gz OCXGJMSYQIQWNI-UHFFFAOYSA-N 1 2 371.489 2.192 20 30 FEEDLO C=CCOc1cc(C)nc(N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)n1 ZINC001165010864 721705307 /nfs/dbraw/zinc/70/53/07/721705307.db2.gz OCXGJMSYQIQWNI-UHFFFAOYSA-N 1 2 371.489 2.192 20 30 FEEDLO N#Cc1ccc(C(F)(F)N2CC[NH+](C[C@H]3CCCO3)CC2)nc1Cl ZINC001165039432 721901470 /nfs/dbraw/zinc/90/14/70/721901470.db2.gz XBSRNLLKZQTVRP-CYBMUJFWSA-N 1 2 356.804 2.453 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)COc3ccc(F)cc3)CC2)cc1 ZINC000017843094 539643795 /nfs/dbraw/zinc/64/37/95/539643795.db2.gz BMFLVJWJYVHXOH-UHFFFAOYSA-N 1 2 353.397 2.421 20 30 FEEDLO C[C@H](C(=O)NCc1ccccc1)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000023257585 539710294 /nfs/dbraw/zinc/71/02/94/539710294.db2.gz OFLZGDQZZQBWRU-GOSISDBHSA-N 1 2 362.477 2.381 20 30 FEEDLO C[C@H](C(=O)NCc1ccccc1)[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000023257585 539710297 /nfs/dbraw/zinc/71/02/97/539710297.db2.gz OFLZGDQZZQBWRU-GOSISDBHSA-N 1 2 362.477 2.381 20 30 FEEDLO N#Cc1ccnc(N2CC[NH+](CC(=O)NCCC3=CCCCC3)CC2)c1 ZINC000029444539 539853389 /nfs/dbraw/zinc/85/33/89/539853389.db2.gz VSKWRSFNUGBDJD-UHFFFAOYSA-N 1 2 353.470 2.082 20 30 FEEDLO N#Cc1c(F)cccc1N1CC[NH+](Cc2cc(=O)n3ccccc3n2)CC1 ZINC000029585010 539857247 /nfs/dbraw/zinc/85/72/47/539857247.db2.gz NNVPTGTXFDDOHY-UHFFFAOYSA-N 1 2 363.396 2.027 20 30 FEEDLO N#Cc1c(F)cccc1N1CC[NH+](CC(=O)N2CCc3ccccc32)CC1 ZINC000029856168 539867034 /nfs/dbraw/zinc/86/70/34/539867034.db2.gz JIOZCYNRNJAFCR-UHFFFAOYSA-N 1 2 364.424 2.409 20 30 FEEDLO CNC(=O)[C@H]1Cc2ccccc2C[N@@H+]1CCC(=O)Nc1sccc1C#N ZINC000030707072 539889890 /nfs/dbraw/zinc/88/98/90/539889890.db2.gz JWBXDOAOKIZAIV-MRXNPFEDSA-N 1 2 368.462 2.121 20 30 FEEDLO CNC(=O)[C@H]1Cc2ccccc2C[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000030707072 539889893 /nfs/dbraw/zinc/88/98/93/539889893.db2.gz JWBXDOAOKIZAIV-MRXNPFEDSA-N 1 2 368.462 2.121 20 30 FEEDLO CN(C(=O)C[N@@H+]1CCC[C@H]1C(=O)NCc1ccco1)C1(C#N)CCCCC1 ZINC000031557847 539910598 /nfs/dbraw/zinc/91/05/98/539910598.db2.gz MAGDEJSXTAKVCU-KRWDZBQOSA-N 1 2 372.469 2.045 20 30 FEEDLO CN(C(=O)C[N@H+]1CCC[C@H]1C(=O)NCc1ccco1)C1(C#N)CCCCC1 ZINC000031557847 539910603 /nfs/dbraw/zinc/91/06/03/539910603.db2.gz MAGDEJSXTAKVCU-KRWDZBQOSA-N 1 2 372.469 2.045 20 30 FEEDLO Cc1nc(C(=O)NCc2ccccc2C[NH+]2CCOCC2)ccc1C#N ZINC000032246803 539931655 /nfs/dbraw/zinc/93/16/55/539931655.db2.gz LMWYDLSUHRBPMN-UHFFFAOYSA-N 1 2 350.422 2.024 20 30 FEEDLO N#Cc1ccccc1COc1ccc(C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000032488276 539940995 /nfs/dbraw/zinc/94/09/95/539940995.db2.gz KZKAHLFFPDAZJR-UHFFFAOYSA-N 1 2 365.433 2.199 20 30 FEEDLO CC[N@H+](CC(=O)NCc1ccc(F)cc1)CC(=O)NC1(C#N)CCCCC1 ZINC000042978898 540084561 /nfs/dbraw/zinc/08/45/61/540084561.db2.gz VSIQCZXVFDMOSY-UHFFFAOYSA-N 1 2 374.460 2.106 20 30 FEEDLO CC[N@@H+](CC(=O)NCc1ccc(F)cc1)CC(=O)NC1(C#N)CCCCC1 ZINC000042978898 540084563 /nfs/dbraw/zinc/08/45/63/540084563.db2.gz VSIQCZXVFDMOSY-UHFFFAOYSA-N 1 2 374.460 2.106 20 30 FEEDLO O=C(NCC#Cc1ccccc1)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000045431603 540213231 /nfs/dbraw/zinc/21/32/31/540213231.db2.gz QYZZOFRCRDTSMR-UHFFFAOYSA-N 1 2 373.460 2.213 20 30 FEEDLO C=CCNC(=O)CN1CC[NH+](Cc2c(Cl)ccc3cccnc32)CC1 ZINC000052304684 540462014 /nfs/dbraw/zinc/46/20/14/540462014.db2.gz SFNNMRHVGUGGDS-UHFFFAOYSA-N 1 2 358.873 2.308 20 30 FEEDLO N#Cc1cccc(S(=O)(=O)N2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000053702699 540550930 /nfs/dbraw/zinc/55/09/30/540550930.db2.gz GCEQSNSFBUVJFJ-UHFFFAOYSA-N 1 2 355.463 2.107 20 30 FEEDLO Cc1oc(NC(=O)[C@H](C)[NH+]2CCC(C(=O)NC3CC3)CC2)c(C#N)c1C ZINC000055913520 540686509 /nfs/dbraw/zinc/68/65/09/540686509.db2.gz HMUBETYLQMSKRB-LBPRGKRZSA-N 1 2 358.442 2.086 20 30 FEEDLO CCC[N@H+](CC(=O)N(C)C)CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000056510287 540730439 /nfs/dbraw/zinc/73/04/39/540730439.db2.gz UDBIKHZSIGTQEX-UHFFFAOYSA-N 1 2 358.486 2.350 20 30 FEEDLO CCC[N@@H+](CC(=O)N(C)C)CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000056510287 540730441 /nfs/dbraw/zinc/73/04/41/540730441.db2.gz UDBIKHZSIGTQEX-UHFFFAOYSA-N 1 2 358.486 2.350 20 30 FEEDLO CN1CC[NH+](Cc2cccc(NC(=O)COc3ccc(C#N)cc3)c2)CC1 ZINC000057053962 540765392 /nfs/dbraw/zinc/76/53/92/540765392.db2.gz VQIAVMWBKOOIGU-UHFFFAOYSA-N 1 2 364.449 2.323 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)NCc2cccnc2-n2cc[nH+]c2)cc1Cl ZINC000058561151 540849004 /nfs/dbraw/zinc/84/90/04/540849004.db2.gz PCZAGVKGELVNFZ-UHFFFAOYSA-N 1 2 373.825 2.271 20 30 FEEDLO C[C@H](C(=O)Nc1ccc(F)c(F)c1)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000060481187 541114038 /nfs/dbraw/zinc/11/40/38/541114038.db2.gz GVDPAVLYTZSPPC-CYBMUJFWSA-N 1 2 371.391 2.381 20 30 FEEDLO CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cccc(C#N)c2)c[nH+]1 ZINC000062062247 541144033 /nfs/dbraw/zinc/14/40/33/541144033.db2.gz BCWXUEDFWWPRFO-UHFFFAOYSA-N 1 2 351.410 2.054 20 30 FEEDLO COc1cc(C(N)=[NH+]OCC(=O)NC2CCCC2)cc(Cl)c1OC ZINC000063458435 541169289 /nfs/dbraw/zinc/16/92/89/541169289.db2.gz FESIYEXFGHIQJK-UHFFFAOYSA-N 1 2 355.822 2.053 20 30 FEEDLO N#Cc1cccc(C[N@H+]2CCCN(S(=O)(=O)c3ccccc3)CC2)c1 ZINC000064353169 541202801 /nfs/dbraw/zinc/20/28/01/541202801.db2.gz KEJMBOHAZHKNQK-UHFFFAOYSA-N 1 2 355.463 2.455 20 30 FEEDLO N#Cc1cccc(C[N@@H+]2CCCN(S(=O)(=O)c3ccccc3)CC2)c1 ZINC000064353169 541202804 /nfs/dbraw/zinc/20/28/04/541202804.db2.gz KEJMBOHAZHKNQK-UHFFFAOYSA-N 1 2 355.463 2.455 20 30 FEEDLO Cc1cc(C)n(-c2ccc(C(N)=[NH+]OCc3noc(C(C)C)n3)cn2)n1 ZINC000067099258 541417639 /nfs/dbraw/zinc/41/76/39/541417639.db2.gz RYPDYGBAFXOFPE-UHFFFAOYSA-N 1 2 355.402 2.228 20 30 FEEDLO CC(C)[C@H](C#N)N1CCN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000068327292 541577134 /nfs/dbraw/zinc/57/71/34/541577134.db2.gz MRRJQPXAGWZLTG-IBGZPJMESA-N 1 2 351.454 2.237 20 30 FEEDLO Cc1[nH]c2ccc(C(=O)N(CCC#N)CC[NH+]3CCOCC3)cc2c1C ZINC000071946586 541776383 /nfs/dbraw/zinc/77/63/83/541776383.db2.gz YGQWDNKPGNNRMP-UHFFFAOYSA-N 1 2 354.454 2.473 20 30 FEEDLO CCN(CC)C(=O)C[N@H+](C)[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000072878433 541887487 /nfs/dbraw/zinc/88/74/87/541887487.db2.gz ZJFFOXKGDFOEJU-LBPRGKRZSA-N 1 2 350.850 2.339 20 30 FEEDLO CCN(CC)C(=O)C[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000072878433 541887490 /nfs/dbraw/zinc/88/74/90/541887490.db2.gz ZJFFOXKGDFOEJU-LBPRGKRZSA-N 1 2 350.850 2.339 20 30 FEEDLO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000073108321 541919126 /nfs/dbraw/zinc/91/91/26/541919126.db2.gz ZYIHABRGDRHAKX-UHFFFAOYSA-N 1 2 353.382 2.192 20 30 FEEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN(C(=O)Cc2ccccc2)CC1 ZINC000076199561 542243203 /nfs/dbraw/zinc/24/32/03/542243203.db2.gz NHDAISTXJXBKBR-GOSISDBHSA-N 1 2 357.498 2.186 20 30 FEEDLO N#Cc1ccccc1OCC(=O)NC1CC[NH+](Cc2cscn2)CC1 ZINC000076896457 542328890 /nfs/dbraw/zinc/32/88/90/542328890.db2.gz LZOXQMGFTWLFLC-UHFFFAOYSA-N 1 2 356.451 2.174 20 30 FEEDLO COc1cc(C#N)ccc1OCC[NH+]1CCN(C(=O)N2CCCCC2)CC1 ZINC000077248362 542358916 /nfs/dbraw/zinc/35/89/16/542358916.db2.gz ZJTJZZZBYHFWLL-UHFFFAOYSA-N 1 2 372.469 2.169 20 30 FEEDLO Cc1cc(C)c(C#N)c(N2CC[NH+](CC(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)n1 ZINC000078596527 542469732 /nfs/dbraw/zinc/46/97/32/542469732.db2.gz FAYRORHKCQLVAB-HZPDHXFCSA-N 1 2 369.513 2.197 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CCCOc3cccnc3)CC2)cc1 ZINC000079298298 542512026 /nfs/dbraw/zinc/51/20/26/542512026.db2.gz ZUNSPHHTEVCZNZ-UHFFFAOYSA-N 1 2 364.449 2.457 20 30 FEEDLO Cn1cc(/C=C/C(=O)N(CCC#N)CC[NH+]2CCOCC2)c2ccccc21 ZINC000079844573 542544704 /nfs/dbraw/zinc/54/47/04/542544704.db2.gz XJYYDSFRVZUFGE-BQYQJAHWSA-N 1 2 366.465 2.266 20 30 FEEDLO N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)c1 ZINC000080934394 542616346 /nfs/dbraw/zinc/61/63/46/542616346.db2.gz MXDMAAVUSRMAAR-HSALFYBXSA-N 1 2 353.466 2.375 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1nc2ccccc2n1C(F)F ZINC000081531547 542663382 /nfs/dbraw/zinc/66/33/82/542663382.db2.gz JSSGOUPFSGSBNX-UHFFFAOYSA-N 1 2 363.412 2.479 20 30 FEEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(c2nc[nH]n2)CC1 ZINC000083424461 542697505 /nfs/dbraw/zinc/69/75/05/542697505.db2.gz KPIJBVUVWLUMMG-HNNXBMFYSA-N 1 2 352.442 2.319 20 30 FEEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCC[C@@H]2CN2CCOCC2)c1C#N ZINC000091070763 542793131 /nfs/dbraw/zinc/79/31/31/542793131.db2.gz HYQVVCOGWMHQJN-LJQANCHMSA-N 1 2 365.481 2.349 20 30 FEEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CCC[C@@H]2CN2CCOCC2)c1C#N ZINC000091070763 542793133 /nfs/dbraw/zinc/79/31/33/542793133.db2.gz HYQVVCOGWMHQJN-LJQANCHMSA-N 1 2 365.481 2.349 20 30 FEEDLO CSc1nc(C2CC2)cc(C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)c1C#N ZINC000104594061 543135600 /nfs/dbraw/zinc/13/56/00/543135600.db2.gz JAZFNEAAPQWSOA-CHWSQXEVSA-N 1 2 374.510 2.392 20 30 FEEDLO N#Cc1ccc(NC(=O)C[NH+]2CCC(N3CCCC3=O)CC2)cc1Cl ZINC000104730271 543139951 /nfs/dbraw/zinc/13/99/51/543139951.db2.gz GJXGSNSRPYZZJR-UHFFFAOYSA-N 1 2 360.845 2.237 20 30 FEEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[NH+]1CCC(CC(N)=O)CC1 ZINC000108359565 543287796 /nfs/dbraw/zinc/28/77/96/543287796.db2.gz JLZJYPBUSINUDN-AWEZNQCLSA-N 1 2 374.510 2.464 20 30 FEEDLO CCc1nc(C[NH+]2CCC(CNS(=O)(=O)CCCC#N)CC2)cs1 ZINC000111357824 543399431 /nfs/dbraw/zinc/39/94/31/543399431.db2.gz OSASXRWSOKXYDB-UHFFFAOYSA-N 1 2 370.544 2.141 20 30 FEEDLO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)/C=C/c2cccc(C#N)c2)CC1 ZINC000115387629 543564603 /nfs/dbraw/zinc/56/46/03/543564603.db2.gz VNGNCYHSUZBSGA-BQYQJAHWSA-N 1 2 363.465 2.266 20 30 FEEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCCN(C(=O)C2CC2)CC1 ZINC000121478685 543694924 /nfs/dbraw/zinc/69/49/24/543694924.db2.gz KXXAKYTYHDTQHZ-KRWDZBQOSA-N 1 2 368.481 2.266 20 30 FEEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCCN(C(=O)C2CC2)CC1 ZINC000121478685 543694927 /nfs/dbraw/zinc/69/49/27/543694927.db2.gz KXXAKYTYHDTQHZ-KRWDZBQOSA-N 1 2 368.481 2.266 20 30 FEEDLO CC(C)NC(=O)CN1CC[NH+](Cc2cccc(OCCCC#N)c2)CC1 ZINC000119582594 543669187 /nfs/dbraw/zinc/66/91/87/543669187.db2.gz OBTTZQMFBOEODZ-UHFFFAOYSA-N 1 2 358.486 2.011 20 30 FEEDLO CC(C)NC(=O)C[NH+]1CCN(Cc2cccc(OCCCC#N)c2)CC1 ZINC000119582594 543669190 /nfs/dbraw/zinc/66/91/90/543669190.db2.gz OBTTZQMFBOEODZ-UHFFFAOYSA-N 1 2 358.486 2.011 20 30 FEEDLO Cn1ncc2c1nc[nH+]c2N1CCN(c2cc(Cl)ccc2C#N)CC1 ZINC000122599163 543712469 /nfs/dbraw/zinc/71/24/69/543712469.db2.gz BXKPNUVFEFNLOV-UHFFFAOYSA-N 1 2 353.817 2.215 20 30 FEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](CC)[C@H]1CCN(c2ccccc2)C1=O ZINC000247487398 549342443 /nfs/dbraw/zinc/34/24/43/549342443.db2.gz GKIPCXCEVFJFGJ-AEFFLSMTSA-N 1 2 356.470 2.122 20 30 FEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](CC)[C@H]1CCN(c2ccccc2)C1=O ZINC000247487398 549342445 /nfs/dbraw/zinc/34/24/45/549342445.db2.gz GKIPCXCEVFJFGJ-AEFFLSMTSA-N 1 2 356.470 2.122 20 30 FEEDLO C[C@H](C(=O)NC1CC1)N1CC[NH+](Cc2cccc(OCCCC#N)c2)CC1 ZINC000123312750 543754650 /nfs/dbraw/zinc/75/46/50/543754650.db2.gz MYBKGULBVFGPPN-QGZVFWFLSA-N 1 2 370.497 2.154 20 30 FEEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(Cc2cccc(OCCCC#N)c2)CC1 ZINC000123312750 543754652 /nfs/dbraw/zinc/75/46/52/543754652.db2.gz MYBKGULBVFGPPN-QGZVFWFLSA-N 1 2 370.497 2.154 20 30 FEEDLO COC(=O)C[C@@H]1CSCC[N@@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000123575722 543769593 /nfs/dbraw/zinc/76/95/93/543769593.db2.gz CDGIHKIJTMWHFQ-CQSZACIVSA-N 1 2 358.423 2.089 20 30 FEEDLO COC(=O)C[C@@H]1CSCC[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000123575722 543769595 /nfs/dbraw/zinc/76/95/95/543769595.db2.gz CDGIHKIJTMWHFQ-CQSZACIVSA-N 1 2 358.423 2.089 20 30 FEEDLO N#Cc1ccc([C@H](O)C[NH+]2CCN(C(=O)c3ccc(F)cc3)CC2)cc1 ZINC000127020188 543968467 /nfs/dbraw/zinc/96/84/67/543968467.db2.gz AGXXLYZITJQOPB-LJQANCHMSA-N 1 2 353.397 2.189 20 30 FEEDLO C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]2c2n[nH]c(-c3ccccc3)n2)CC1 ZINC000128051479 544029451 /nfs/dbraw/zinc/02/94/51/544029451.db2.gz CDROJFZWXZJYFZ-GOSISDBHSA-N 1 2 363.465 2.480 20 30 FEEDLO C=CCCOCCNC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000127310760 543984722 /nfs/dbraw/zinc/98/47/22/543984722.db2.gz QATPLZSQLHLHBA-UHFFFAOYSA-N 1 2 361.490 2.333 20 30 FEEDLO C[C@@H]1C[N@H+](C[C@H](O)COc2ccc(CC#N)cc2)CCN1CC(F)(F)F ZINC000128073536 544030855 /nfs/dbraw/zinc/03/08/55/544030855.db2.gz NFOGGRJJPSXGPW-ZBFHGGJFSA-N 1 2 371.403 2.061 20 30 FEEDLO C[C@@H]1C[N@@H+](C[C@H](O)COc2ccc(CC#N)cc2)CCN1CC(F)(F)F ZINC000128073536 544030857 /nfs/dbraw/zinc/03/08/57/544030857.db2.gz NFOGGRJJPSXGPW-ZBFHGGJFSA-N 1 2 371.403 2.061 20 30 FEEDLO CCOC(=O)c1c[nH]n(C2CC[NH+](Cc3ccc(C#N)s3)CC2)c1=N ZINC000128262822 544042262 /nfs/dbraw/zinc/04/22/62/544042262.db2.gz YXJUMSSCIPUFGJ-UHFFFAOYSA-N 1 2 359.455 2.243 20 30 FEEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@H]3CCCc4[nH]ncc43)CC2)cc1 ZINC000132569012 544236229 /nfs/dbraw/zinc/23/62/29/544236229.db2.gz XBNXDZYRMGUUDO-SFHVURJKSA-N 1 2 363.465 2.436 20 30 FEEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@H]3CCCc4[nH]ncc43)CC2)cc1 ZINC000132569012 544236230 /nfs/dbraw/zinc/23/62/30/544236230.db2.gz XBNXDZYRMGUUDO-SFHVURJKSA-N 1 2 363.465 2.436 20 30 FEEDLO C=C(C)Cn1c(SCC(=O)NCCn2cc[nH+]c2)nnc1-c1ccco1 ZINC000133436881 544269551 /nfs/dbraw/zinc/26/95/51/544269551.db2.gz RNKDUISJUXWGJE-UHFFFAOYSA-N 1 2 372.454 2.219 20 30 FEEDLO C=C[C@H](C)NC(=O)C(=O)Nc1cccc(C[N@H+](C)Cc2cscn2)c1 ZINC000133783669 544283115 /nfs/dbraw/zinc/28/31/15/544283115.db2.gz QPVCIFNIIBYKLV-ZDUSSCGKSA-N 1 2 358.467 2.404 20 30 FEEDLO C=C[C@H](C)NC(=O)C(=O)Nc1cccc(C[N@@H+](C)Cc2cscn2)c1 ZINC000133783669 544283116 /nfs/dbraw/zinc/28/31/16/544283116.db2.gz QPVCIFNIIBYKLV-ZDUSSCGKSA-N 1 2 358.467 2.404 20 30 FEEDLO C=CCn1c(C)cc(C(=O)C[NH+]2CCC(N3CCCNC3=O)CC2)c1C ZINC000135401545 544345790 /nfs/dbraw/zinc/34/57/90/544345790.db2.gz LLTNGGHQHIXSQZ-UHFFFAOYSA-N 1 2 358.486 2.353 20 30 FEEDLO C=CCCOCC(=O)N[C@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1 ZINC000144983171 544432143 /nfs/dbraw/zinc/43/21/43/544432143.db2.gz LSNNLWUOZYANFE-SFHVURJKSA-N 1 2 359.426 2.236 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)c(F)c1 ZINC000151014622 544496521 /nfs/dbraw/zinc/49/65/21/544496521.db2.gz GOLWMIDPGDLKOB-OAHLLOKOSA-N 1 2 363.414 2.406 20 30 FEEDLO N#Cc1ccc(NC(=O)CC[N@H+]2CCOC[C@H]2C[C@@H](O)c2ccco2)cc1 ZINC000151727838 544573679 /nfs/dbraw/zinc/57/36/79/544573679.db2.gz NRBKEWLZQOKOKX-QZTJIDSGSA-N 1 2 369.421 2.304 20 30 FEEDLO N#Cc1ccc(NC(=O)CC[N@@H+]2CCOC[C@H]2C[C@@H](O)c2ccco2)cc1 ZINC000151727838 544573682 /nfs/dbraw/zinc/57/36/82/544573682.db2.gz NRBKEWLZQOKOKX-QZTJIDSGSA-N 1 2 369.421 2.304 20 30 FEEDLO CN(CCCn1cc[nH+]c1)C(=O)N[C@H]1CCCN(c2ccccc2C#N)C1 ZINC000152080685 544612051 /nfs/dbraw/zinc/61/20/51/544612051.db2.gz YLEAFQACBMGDGN-SFHVURJKSA-N 1 2 366.469 2.455 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000152168233 544620960 /nfs/dbraw/zinc/62/09/60/544620960.db2.gz AFRBAQNFTICGJY-WTANOLMUSA-N 1 2 358.490 2.304 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000152168233 544620963 /nfs/dbraw/zinc/62/09/63/544620963.db2.gz AFRBAQNFTICGJY-WTANOLMUSA-N 1 2 358.490 2.304 20 30 FEEDLO CC(C)C[C@H](CNC(=O)c1c(F)cc(C#N)cc1F)[NH+]1CCOCC1 ZINC000152775611 544694651 /nfs/dbraw/zinc/69/46/51/544694651.db2.gz ACDDISWBKYUXQO-CQSZACIVSA-N 1 2 351.397 2.313 20 30 FEEDLO CCOc1ccc(NC(=O)C[NH+]2CCN(c3ccc(C#N)nc3)CC2)cc1 ZINC000152880216 544706567 /nfs/dbraw/zinc/70/65/67/544706567.db2.gz UZXPBCSHLDVLQO-UHFFFAOYSA-N 1 2 365.437 2.113 20 30 FEEDLO CC[C@@H]1C[N@H+](CC(=O)N(C)C2(C#N)CCCCC2)CCN1CC(F)F ZINC000153440947 544775650 /nfs/dbraw/zinc/77/56/50/544775650.db2.gz GXCVGKVSMRDHHK-OAHLLOKOSA-N 1 2 356.461 2.333 20 30 FEEDLO CC[C@@H]1C[N@@H+](CC(=O)N(C)C2(C#N)CCCCC2)CCN1CC(F)F ZINC000153440947 544775652 /nfs/dbraw/zinc/77/56/52/544775652.db2.gz GXCVGKVSMRDHHK-OAHLLOKOSA-N 1 2 356.461 2.333 20 30 FEEDLO COc1cc(C#N)ccc1OCCCC(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000153689057 544809499 /nfs/dbraw/zinc/80/94/99/544809499.db2.gz MJXYPFSPZBAODM-OAHLLOKOSA-N 1 2 356.426 2.375 20 30 FEEDLO N#Cc1cccc(S(=O)(=O)Nc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000153926577 544840531 /nfs/dbraw/zinc/84/05/31/544840531.db2.gz BUNKSBBWMRJMMK-UHFFFAOYSA-N 1 2 357.435 2.191 20 30 FEEDLO COc1cc(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)c([N+](=O)[O-])cc1F ZINC000184250622 327858403 /nfs/dbraw/zinc/85/84/03/327858403.db2.gz CZPPONWMNKBQNO-UHFFFAOYSA-N 1 2 371.372 2.331 20 30 FEEDLO C[C@H](c1nccs1)N1CC[NH+](C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000184670782 327878247 /nfs/dbraw/zinc/87/82/47/327878247.db2.gz GTFZNOGLVYKTLK-WBVHZDCISA-N 1 2 372.494 2.133 20 30 FEEDLO C[C@@H](Oc1ccccc1C#N)C(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186443799 327962234 /nfs/dbraw/zinc/96/22/34/327962234.db2.gz OHFRWBIIKXRONE-MRXNPFEDSA-N 1 2 350.422 2.459 20 30 FEEDLO COC(=O)[C@H]1C[C@@H](OC)C[N@H+]1Cc1cccn1Cc1ccccc1C#N ZINC000187290121 328013682 /nfs/dbraw/zinc/01/36/82/328013682.db2.gz NOLKQUMLAYEMMT-RTBURBONSA-N 1 2 353.422 2.170 20 30 FEEDLO COC(=O)[C@H]1C[C@@H](OC)C[N@@H+]1Cc1cccn1Cc1ccccc1C#N ZINC000187290121 328013683 /nfs/dbraw/zinc/01/36/83/328013683.db2.gz NOLKQUMLAYEMMT-RTBURBONSA-N 1 2 353.422 2.170 20 30 FEEDLO CC[C@@]1(CO)CCC[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 ZINC000187632002 328036821 /nfs/dbraw/zinc/03/68/21/328036821.db2.gz BLHOJFWZKPCXRI-HXUWFJFHSA-N 1 2 367.453 2.167 20 30 FEEDLO CC[C@@]1(CO)CCC[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 ZINC000187632002 328036822 /nfs/dbraw/zinc/03/68/22/328036822.db2.gz BLHOJFWZKPCXRI-HXUWFJFHSA-N 1 2 367.453 2.167 20 30 FEEDLO C[C@@H]1CN(c2ccc(CNC(=O)c3ccc(C#N)c(O)c3)c[nH+]2)C[C@@H](C)O1 ZINC000190574463 328217215 /nfs/dbraw/zinc/21/72/15/328217215.db2.gz DBEFTLDSLFTPBT-ZIAGYGMSSA-N 1 2 366.421 2.202 20 30 FEEDLO Cn1cc(C[NH+]2CCN(CC(=O)Nc3ccccc3Cl)CC2)cc1C#N ZINC000191185986 328253110 /nfs/dbraw/zinc/25/31/10/328253110.db2.gz AVGFQXISPKFBAY-UHFFFAOYSA-N 1 2 371.872 2.306 20 30 FEEDLO CCOc1ccccc1C(=O)N1CC[NH+](Cc2cc(C#N)n(C)c2)CC1 ZINC000191225135 328254841 /nfs/dbraw/zinc/25/48/41/328254841.db2.gz VZWRZGTWEZCECI-UHFFFAOYSA-N 1 2 352.438 2.253 20 30 FEEDLO Cn1cnnc1[C@H]1CCC[N@@H+]1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192716721 328335068 /nfs/dbraw/zinc/33/50/68/328335068.db2.gz VOZDQZBKKNGPBN-IAGOWNOFSA-N 1 2 350.426 2.019 20 30 FEEDLO Cn1cnnc1[C@H]1CCC[N@H+]1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192716721 328335069 /nfs/dbraw/zinc/33/50/69/328335069.db2.gz VOZDQZBKKNGPBN-IAGOWNOFSA-N 1 2 350.426 2.019 20 30 FEEDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)c3ccnc(C#N)c3)CC2)c1 ZINC000193159158 328360473 /nfs/dbraw/zinc/36/04/73/328360473.db2.gz HOIHHUCSDKKBQF-OAHLLOKOSA-N 1 2 350.422 2.481 20 30 FEEDLO C[C@@H]1CCC[C@@H](NC(=O)C[NH+]2CCN(c3ccc(C#N)cn3)CC2)[C@@H]1C ZINC000193773949 328394496 /nfs/dbraw/zinc/39/44/96/328394496.db2.gz QRGMOENGXJLVMO-JFIYKMOQSA-N 1 2 355.486 2.016 20 30 FEEDLO C[N@H+](CC(=O)Nc1sccc1C#N)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000080746787 325141789 /nfs/dbraw/zinc/14/17/89/325141789.db2.gz HJRHOPIPSVCDEZ-CYBMUJFWSA-N 1 2 364.471 2.499 20 30 FEEDLO C[N@@H+](CC(=O)Nc1sccc1C#N)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000080746787 325141792 /nfs/dbraw/zinc/14/17/92/325141792.db2.gz HJRHOPIPSVCDEZ-CYBMUJFWSA-N 1 2 364.471 2.499 20 30 FEEDLO N#Cc1cccc(OCC[NH+]2CCN(C(=O)c3cccc(O)c3)CC2)c1 ZINC000081021758 325154275 /nfs/dbraw/zinc/15/42/75/325154275.db2.gz FSYOGEDZBMQNER-UHFFFAOYSA-N 1 2 351.406 2.101 20 30 FEEDLO N#Cc1ccc(SCC(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)cc1 ZINC000110952774 325697302 /nfs/dbraw/zinc/69/73/02/325697302.db2.gz QLBLLUNBIKLUEC-QGZVFWFLSA-N 1 2 359.495 2.364 20 30 FEEDLO CCCNC(=O)[C@H](C)[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000130851113 326564447 /nfs/dbraw/zinc/56/44/47/326564447.db2.gz GBZIUTQXWGNFMZ-HNNXBMFYSA-N 1 2 351.454 2.143 20 30 FEEDLO Cc1cccc(S(=O)(=O)NCc2cc[nH+]c(N3CCCC3)c2)c1C#N ZINC000156335519 326827005 /nfs/dbraw/zinc/82/70/05/326827005.db2.gz JPZVAKQYAHNSSZ-UHFFFAOYSA-N 1 2 356.451 2.340 20 30 FEEDLO CCN1CC[NH+]([C@@H]2CCN(C(=O)Nc3cc(C#N)cn3C(C)(C)C)C2)CC1 ZINC000171682994 327154937 /nfs/dbraw/zinc/15/49/37/327154937.db2.gz KHPYXYUSGYHMGT-QGZVFWFLSA-N 1 2 372.517 2.358 20 30 FEEDLO CC(C)(C)n1cc(C#N)cc1NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000173266402 327245107 /nfs/dbraw/zinc/24/51/07/327245107.db2.gz LNWHWVCJISFDMA-MRXNPFEDSA-N 1 2 359.474 2.443 20 30 FEEDLO C[C@H]([NH2+]Cc1nnc2n1CCCC2)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000173638300 327272787 /nfs/dbraw/zinc/27/27/87/327272787.db2.gz FQPJBUBTUOUTHR-NSHDSACASA-N 1 2 358.833 2.256 20 30 FEEDLO COC(=O)[C@@H](NC[C@@H](CC(C)C)[NH+]1CCOCC1)c1cccc(C#N)c1 ZINC000176713902 327471587 /nfs/dbraw/zinc/47/15/87/327471587.db2.gz KFZSAGDEPLEULH-MOPGFXCFSA-N 1 2 359.470 2.109 20 30 FEEDLO C[C@H](C(=O)Nc1cccc(F)c1)[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000265484857 329131963 /nfs/dbraw/zinc/13/19/63/329131963.db2.gz DZSRAQNEHVMKRW-CQSZACIVSA-N 1 2 353.401 2.242 20 30 FEEDLO CC(C)(C(N)=O)[NH+]1CCN(c2c(C#N)cnc3ccc(Cl)cc32)CC1 ZINC000267495778 329333358 /nfs/dbraw/zinc/33/33/58/329333358.db2.gz HIHXYPNRCAVJFJ-UHFFFAOYSA-N 1 2 357.845 2.146 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3c(N)cccc3[N+](=O)[O-])CC2)cc1 ZINC000272397048 329777353 /nfs/dbraw/zinc/77/73/53/329777353.db2.gz HKYWGZZXJBTMMR-UHFFFAOYSA-N 1 2 365.393 2.007 20 30 FEEDLO CCO[C@@H]1C[C@@]([NH2+]CCC(=O)Nc2ccc(C#N)cc2)(C(=O)OC)C1(C)C ZINC000275568843 330064583 /nfs/dbraw/zinc/06/45/83/330064583.db2.gz OPPNZDBXIRFDJV-OXQOHEQNSA-N 1 2 373.453 2.223 20 30 FEEDLO C[N@H+](Cc1nccs1)[C@@H]1CC12CCN(C(=O)c1ccc(C#N)[nH]1)CC2 ZINC000275740106 330083302 /nfs/dbraw/zinc/08/33/02/330083302.db2.gz QANRHBMSFFHCFV-OAHLLOKOSA-N 1 2 355.467 2.470 20 30 FEEDLO C[N@@H+](Cc1nccs1)[C@@H]1CC12CCN(C(=O)c1ccc(C#N)[nH]1)CC2 ZINC000275740106 330083303 /nfs/dbraw/zinc/08/33/03/330083303.db2.gz QANRHBMSFFHCFV-OAHLLOKOSA-N 1 2 355.467 2.470 20 30 FEEDLO C#C[C@H](NC(=O)N[C@@H](C)C[NH+]1CCOCC1)c1ccc(Cl)cc1F ZINC000804915598 674306396 /nfs/dbraw/zinc/30/63/96/674306396.db2.gz AVUPEVVUEUVBAC-LRDDRELGSA-N 1 2 353.825 2.173 20 30 FEEDLO O=C([O-])C[N@H+](CC1CC1)C1CC(NC(=O)Cc2cn3ccccc3[nH+]2)C1 ZINC000328638187 527606964 /nfs/dbraw/zinc/60/69/64/527606964.db2.gz PAYHWOZAAVTCPL-UHFFFAOYSA-N 1 2 356.426 2.161 20 30 FEEDLO O=C([O-])C[N@@H+](CC1CC1)C1CC(NC(=O)Cc2cn3ccccc3[nH+]2)C1 ZINC000328638187 527606968 /nfs/dbraw/zinc/60/69/68/527606968.db2.gz PAYHWOZAAVTCPL-UHFFFAOYSA-N 1 2 356.426 2.161 20 30 FEEDLO Cc1cc(N(C)C)cc(C)c1NC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000156117349 545600493 /nfs/dbraw/zinc/60/04/93/545600493.db2.gz LJQJMYMRNKSENS-UHFFFAOYSA-N 1 2 373.501 2.449 20 30 FEEDLO N#Cc1cc(F)ccc1S(=O)(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000156360425 545621312 /nfs/dbraw/zinc/62/13/12/545621312.db2.gz CAKMDXKBABAKIO-UHFFFAOYSA-N 1 2 364.789 2.477 20 30 FEEDLO CCN(CC)c1ccc(CNS(=O)(=O)c2ccc(F)cc2C#N)c[nH+]1 ZINC000156530403 545633062 /nfs/dbraw/zinc/63/30/62/545633062.db2.gz DNKWDPIZPMUNNL-UHFFFAOYSA-N 1 2 362.430 2.417 20 30 FEEDLO C[N@H+](CCOCc1ccccc1)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000156844092 545668808 /nfs/dbraw/zinc/66/88/08/545668808.db2.gz VYLZQPRHKLTYNY-UHFFFAOYSA-N 1 2 358.463 2.481 20 30 FEEDLO C[N@@H+](CCOCc1ccccc1)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000156844092 545668812 /nfs/dbraw/zinc/66/88/12/545668812.db2.gz VYLZQPRHKLTYNY-UHFFFAOYSA-N 1 2 358.463 2.481 20 30 FEEDLO C[N@H+](CCc1nccs1)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000157863727 545794655 /nfs/dbraw/zinc/79/46/55/545794655.db2.gz OJCUPNUXEDJFSE-UHFFFAOYSA-N 1 2 366.450 2.313 20 30 FEEDLO C[N@@H+](CCc1nccs1)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000157863727 545794659 /nfs/dbraw/zinc/79/46/59/545794659.db2.gz OJCUPNUXEDJFSE-UHFFFAOYSA-N 1 2 366.450 2.313 20 30 FEEDLO N#Cc1ccccc1N1CC[NH+]([C@H]2CCCN(CC(F)(F)F)C2=O)CC1 ZINC000158010956 545810657 /nfs/dbraw/zinc/81/06/57/545810657.db2.gz VNTYALDBCFKWLU-INIZCTEOSA-N 1 2 366.387 2.234 20 30 FEEDLO CN(Cc1ccccc1F)C(=O)CO[NH+]=C(N)c1ccc2c(c1)CCO2 ZINC000158162341 545830048 /nfs/dbraw/zinc/83/00/48/545830048.db2.gz FAQZPBJIUUVIIC-UHFFFAOYSA-N 1 2 357.385 2.056 20 30 FEEDLO N#Cc1cnc2ccccc2c1N1CC[NH+](C[C@@H](O)C(F)(F)F)CC1 ZINC000158187165 545833352 /nfs/dbraw/zinc/83/33/52/545833352.db2.gz HDKDHQZHOAPBOB-OAHLLOKOSA-N 1 2 350.344 2.152 20 30 FEEDLO C=CC1CCN(C(=O)C(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)CC1 ZINC000478046800 561159117 /nfs/dbraw/zinc/15/91/17/561159117.db2.gz DTADZYOSXPVIEM-MRXNPFEDSA-N 1 2 371.481 2.443 20 30 FEEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CCN(c2cccnn2)CC1 ZINC000170649272 546169048 /nfs/dbraw/zinc/16/90/48/546169048.db2.gz PFLNQCPWQADNHW-INIZCTEOSA-N 1 2 371.510 2.263 20 30 FEEDLO CC(=O)N1CCC[N@@H+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)CC1 ZINC000170983683 546184646 /nfs/dbraw/zinc/18/46/46/546184646.db2.gz OEPGSDSNLSZYMH-OAHLLOKOSA-N 1 2 374.510 2.431 20 30 FEEDLO CC(=O)N1CCC[N@H+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)CC1 ZINC000170983683 546184652 /nfs/dbraw/zinc/18/46/52/546184652.db2.gz OEPGSDSNLSZYMH-OAHLLOKOSA-N 1 2 374.510 2.431 20 30 FEEDLO N#CCc1cccc(C(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)c1 ZINC000171886314 546229630 /nfs/dbraw/zinc/22/96/30/546229630.db2.gz GYRKEEHDBWRXLE-OAQYLSRUSA-N 1 2 363.461 2.426 20 30 FEEDLO CCC(CC)[C@@H](C(=O)NCc1ccc(OCC#N)cc1)[NH+]1CCOCC1 ZINC000173470075 546282312 /nfs/dbraw/zinc/28/23/12/546282312.db2.gz CZXBMYSWBQUBGI-IBGZPJMESA-N 1 2 359.470 2.342 20 30 FEEDLO Cc1cc(N2CC[C@H](O[NH+]=C(N)Cc3ccccc3Cl)C2=O)n(C)n1 ZINC000174125745 546291432 /nfs/dbraw/zinc/29/14/32/546291432.db2.gz WDWPCQNHHQJHDV-AWEZNQCLSA-N 1 2 361.833 2.019 20 30 FEEDLO N#Cc1cccc(NC(=O)C(=O)NCc2[nH+]ccn2CCc2ccccc2)c1 ZINC000176054235 546398416 /nfs/dbraw/zinc/39/84/16/546398416.db2.gz HXQURQBQJRUELX-UHFFFAOYSA-N 1 2 373.416 2.252 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Nc1ccc2scnc2c1 ZINC000176948846 546513753 /nfs/dbraw/zinc/51/37/53/546513753.db2.gz DYCMUNOBRUJBGZ-UHFFFAOYSA-N 1 2 359.455 2.376 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cc1C(F)(F)F ZINC000177629245 546655919 /nfs/dbraw/zinc/65/59/19/546655919.db2.gz NBUWPVVJWPDRSU-CYBMUJFWSA-N 1 2 373.400 2.436 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)N2CC[N@H+]3CCCC[C@@H]3C2)cc1C(F)(F)F ZINC000177629245 546655922 /nfs/dbraw/zinc/65/59/22/546655922.db2.gz NBUWPVVJWPDRSU-CYBMUJFWSA-N 1 2 373.400 2.436 20 30 FEEDLO Cc1nc(CC(N)=[NH+]O[C@@H](C)C(=O)NCCc2ccc(F)cc2)cs1 ZINC000178144795 546746109 /nfs/dbraw/zinc/74/61/09/546746109.db2.gz IQOGVSAHWHMESY-NSHDSACASA-N 1 2 364.446 2.169 20 30 FEEDLO C=CC[N@@H+](CCC(=O)NCc1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000178857780 546861931 /nfs/dbraw/zinc/86/19/31/546861931.db2.gz VWWQEMPOOBFVRG-HNNXBMFYSA-N 1 2 370.902 2.021 20 30 FEEDLO C=CC[N@H+](CCC(=O)NCc1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000178857780 546861934 /nfs/dbraw/zinc/86/19/34/546861934.db2.gz VWWQEMPOOBFVRG-HNNXBMFYSA-N 1 2 370.902 2.021 20 30 FEEDLO COCCO[C@H]1CCC[N@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000179353714 546938293 /nfs/dbraw/zinc/93/82/93/546938293.db2.gz FUHUWZOCLJXPKY-HNNXBMFYSA-N 1 2 351.834 2.278 20 30 FEEDLO COCCO[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000179353714 546938297 /nfs/dbraw/zinc/93/82/97/546938297.db2.gz FUHUWZOCLJXPKY-HNNXBMFYSA-N 1 2 351.834 2.278 20 30 FEEDLO C=C(C)Cn1c(SCC(=O)NCCc2[nH]cc[nH+]2)nnc1-c1ccco1 ZINC000482161952 561249328 /nfs/dbraw/zinc/24/93/28/561249328.db2.gz FRAWHPQNWJZMAJ-UHFFFAOYSA-N 1 2 372.454 2.288 20 30 FEEDLO Cc1cccc(O[C@H](C)C(=O)N2CC[NH+](Cc3cc(C#N)n(C)c3)CC2)c1 ZINC000483288513 561273170 /nfs/dbraw/zinc/27/31/70/561273170.db2.gz HKGUADIWPBKCPB-QGZVFWFLSA-N 1 2 366.465 2.317 20 30 FEEDLO COC(=O)c1ccc(F)c(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)c1 ZINC000181893001 547399389 /nfs/dbraw/zinc/39/93/89/547399389.db2.gz PEXZYUMARCLAIU-UHFFFAOYSA-N 1 2 354.385 2.201 20 30 FEEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)s1 ZINC000182316959 547472338 /nfs/dbraw/zinc/47/23/38/547472338.db2.gz ZVTJUSIBUUSJRM-INIZCTEOSA-N 1 2 353.513 2.446 20 30 FEEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)s1 ZINC000182316959 547472342 /nfs/dbraw/zinc/47/23/42/547472342.db2.gz ZVTJUSIBUUSJRM-INIZCTEOSA-N 1 2 353.513 2.446 20 30 FEEDLO N#Cc1ccc(N2CCC[C@H]([N@@H+]3CC[C@](O)(C(F)(F)F)C3)C2=O)cc1 ZINC000182831351 547558805 /nfs/dbraw/zinc/55/88/05/547558805.db2.gz TZTSFERLZSNPKJ-GOEBONIOSA-N 1 2 353.344 2.053 20 30 FEEDLO N#Cc1ccc(N2CCC[C@H]([N@H+]3CC[C@](O)(C(F)(F)F)C3)C2=O)cc1 ZINC000182831351 547558810 /nfs/dbraw/zinc/55/88/10/547558810.db2.gz TZTSFERLZSNPKJ-GOEBONIOSA-N 1 2 353.344 2.053 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000184600901 547852746 /nfs/dbraw/zinc/85/27/46/547852746.db2.gz USQQUNPKQDIHAT-RTBURBONSA-N 1 2 357.433 2.293 20 30 FEEDLO Cc1oc(NC(=O)C[NH2+][C@H](C)c2nnnn2-c2ccccc2)c(C#N)c1C ZINC000184817857 547882470 /nfs/dbraw/zinc/88/24/70/547882470.db2.gz OHEKAABPLHMLNF-GFCCVEGCSA-N 1 2 365.397 2.033 20 30 FEEDLO CC[C@H]1CCCC[C@@H]1OCC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000184909850 547898111 /nfs/dbraw/zinc/89/81/11/547898111.db2.gz AWQNCDQMCYJAPZ-ROUUACIJSA-N 1 2 351.491 2.046 20 30 FEEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)c1 ZINC000186713946 548179524 /nfs/dbraw/zinc/17/95/24/548179524.db2.gz JWILZLUTQOGSFR-FQEVSTJZSA-N 1 2 368.458 2.463 20 30 FEEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CC[C@@]3(C2)OCc2ccccc23)c1 ZINC000186713946 548179527 /nfs/dbraw/zinc/17/95/27/548179527.db2.gz JWILZLUTQOGSFR-FQEVSTJZSA-N 1 2 368.458 2.463 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C[C@@H](O)c1ccc(F)cc1Cl ZINC000187112822 548250325 /nfs/dbraw/zinc/25/03/25/548250325.db2.gz PJBJXHTUVRRMHJ-QGZVFWFLSA-N 1 2 355.841 2.060 20 30 FEEDLO C[C@@H](CC#N)N(C)C(=O)C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000190132786 548317525 /nfs/dbraw/zinc/31/75/25/548317525.db2.gz OIJXKBIUWZIGDM-ZDUSSCGKSA-N 1 2 353.426 2.462 20 30 FEEDLO C=CC[N@@H+](CCOC)CC(=O)Nc1ccc(I)cc1 ZINC000191128640 548340106 /nfs/dbraw/zinc/34/01/06/548340106.db2.gz LYTJLCBSZCQALG-UHFFFAOYSA-N 1 2 374.222 2.364 20 30 FEEDLO C=CC[N@H+](CCOC)CC(=O)Nc1ccc(I)cc1 ZINC000191128640 548340109 /nfs/dbraw/zinc/34/01/09/548340109.db2.gz LYTJLCBSZCQALG-UHFFFAOYSA-N 1 2 374.222 2.364 20 30 FEEDLO C=CC[N@@H+](CCOC)CC(=O)Nc1ccccc1I ZINC000191146834 548342061 /nfs/dbraw/zinc/34/20/61/548342061.db2.gz FUOMHYLLTIEOHW-UHFFFAOYSA-N 1 2 374.222 2.364 20 30 FEEDLO C=CC[N@H+](CCOC)CC(=O)Nc1ccccc1I ZINC000191146834 548342064 /nfs/dbraw/zinc/34/20/64/548342064.db2.gz FUOMHYLLTIEOHW-UHFFFAOYSA-N 1 2 374.222 2.364 20 30 FEEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCCN(C(=O)c2ccccc2F)CC1 ZINC000192561247 548365550 /nfs/dbraw/zinc/36/55/50/548365550.db2.gz ILDSHXIIEXAPIM-UHFFFAOYSA-N 1 2 361.461 2.398 20 30 FEEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCCN(C(=O)c2ccccc2F)CC1 ZINC000192561247 548365558 /nfs/dbraw/zinc/36/55/58/548365558.db2.gz ILDSHXIIEXAPIM-UHFFFAOYSA-N 1 2 361.461 2.398 20 30 FEEDLO C[C@@](C#N)(NC(=O)C[NH+]1CCC(O)(c2ccccc2Cl)CC1)C1CC1 ZINC000193136145 548381256 /nfs/dbraw/zinc/38/12/56/548381256.db2.gz GQWPGGOALZPUEN-SFHVURJKSA-N 1 2 361.873 2.432 20 30 FEEDLO C=CCc1ccc(OC[C@@H](O)Cn2ncc3c2nc[nH+]c3NC)c(OC)c1 ZINC000193756304 548396294 /nfs/dbraw/zinc/39/62/94/548396294.db2.gz FRTNZXAIVMQNKR-AWEZNQCLSA-N 1 2 369.425 2.045 20 30 FEEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCN(c2nc3ccccc3s2)CC1 ZINC000194201095 548448842 /nfs/dbraw/zinc/44/88/42/548448842.db2.gz ZFEHKVBSDJRRGB-HNNXBMFYSA-N 1 2 371.510 2.426 20 30 FEEDLO CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)CCc2c[nH+]cn2C)C1=O ZINC000194361398 548470750 /nfs/dbraw/zinc/47/07/50/548470750.db2.gz FCPPVPGEXARWMN-GOSISDBHSA-N 1 2 363.462 2.055 20 30 FEEDLO CO[C@H]1C[NH+](CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)C[C@@H]1OC ZINC000487983542 561380636 /nfs/dbraw/zinc/38/06/36/561380636.db2.gz VUSBSIQMQHTASZ-IRXDYDNUSA-N 1 2 365.861 2.241 20 30 FEEDLO Cc1ccc(C[N@H+]2CCN(c3nccnc3C#N)C[C@H]2C)cc1[N+](=O)[O-] ZINC000246120731 549056319 /nfs/dbraw/zinc/05/63/19/549056319.db2.gz KIHBSDMWEQWXHL-CQSZACIVSA-N 1 2 352.398 2.276 20 30 FEEDLO Cc1ccc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@H]2C)cc1[N+](=O)[O-] ZINC000246120731 549056323 /nfs/dbraw/zinc/05/63/23/549056323.db2.gz KIHBSDMWEQWXHL-CQSZACIVSA-N 1 2 352.398 2.276 20 30 FEEDLO CCCCNC(=O)[C@H]1CCC[N@@H+]([C@@H](C(=O)OC)c2cccc(C#N)c2)C1 ZINC000246345020 549111542 /nfs/dbraw/zinc/11/15/42/549111542.db2.gz FPVKOWHPTUCQCU-ZWKOTPCHSA-N 1 2 357.454 2.401 20 30 FEEDLO CCCCNC(=O)[C@H]1CCC[N@H+]([C@@H](C(=O)OC)c2cccc(C#N)c2)C1 ZINC000246345020 549111547 /nfs/dbraw/zinc/11/15/47/549111547.db2.gz FPVKOWHPTUCQCU-ZWKOTPCHSA-N 1 2 357.454 2.401 20 30 FEEDLO N#Cc1ccccc1N1CCC[N@@H+]([C@@H](C(N)=O)c2ccc(F)cc2)CC1 ZINC000249744831 549623051 /nfs/dbraw/zinc/62/30/51/549623051.db2.gz ZDVXRSGMAABOSS-LJQANCHMSA-N 1 2 352.413 2.436 20 30 FEEDLO N#Cc1ccccc1N1CCC[N@H+]([C@@H](C(N)=O)c2ccc(F)cc2)CC1 ZINC000249744831 549623053 /nfs/dbraw/zinc/62/30/53/549623053.db2.gz ZDVXRSGMAABOSS-LJQANCHMSA-N 1 2 352.413 2.436 20 30 FEEDLO N#Cc1ccc(NC(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)c(Cl)c1 ZINC000490368590 561431866 /nfs/dbraw/zinc/43/18/66/561431866.db2.gz KXPUXPILKSMYTE-UHFFFAOYSA-N 1 2 371.828 2.042 20 30 FEEDLO N#Cc1ccccc1N1CC[NH+](CC(=O)NC2(C#N)CCCCC2)CC1 ZINC000263707798 549923455 /nfs/dbraw/zinc/92/34/55/549923455.db2.gz MQQWFYPVCLJWFU-UHFFFAOYSA-N 1 2 351.454 2.023 20 30 FEEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CCC[C@@H]1c1cccc2c1OCCO2)C1CC1 ZINC000263898213 549952623 /nfs/dbraw/zinc/95/26/23/549952623.db2.gz YHKWKJMGYPPSPW-OXQOHEQNSA-N 1 2 355.438 2.403 20 30 FEEDLO C[C@](C#N)(NC(=O)C[N@H+]1CCC[C@@H]1c1cccc2c1OCCO2)C1CC1 ZINC000263898213 549952626 /nfs/dbraw/zinc/95/26/26/549952626.db2.gz YHKWKJMGYPPSPW-OXQOHEQNSA-N 1 2 355.438 2.403 20 30 FEEDLO COc1ccc(C(N)=[NH+]O[C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)cc1 ZINC000264911875 550003379 /nfs/dbraw/zinc/00/33/79/550003379.db2.gz FSRLKZVBZAUZMG-LBPRGKRZSA-N 1 2 371.393 2.131 20 30 FEEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C)[C@H]1CCN(C)C1=O ZINC000265642897 550012524 /nfs/dbraw/zinc/01/25/24/550012524.db2.gz KKVKJOZVZGDBEM-ZFWWWQNUSA-N 1 2 360.483 2.182 20 30 FEEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C)[C@H]1CCN(C)C1=O ZINC000265642897 550012526 /nfs/dbraw/zinc/01/25/26/550012526.db2.gz KKVKJOZVZGDBEM-ZFWWWQNUSA-N 1 2 360.483 2.182 20 30 FEEDLO C=CCN1C(=O)N[C@H](c2ccc(N3CCCC3)[nH+]c2)C(C(=O)N(C)C)=C1C ZINC000268343282 550052226 /nfs/dbraw/zinc/05/22/26/550052226.db2.gz YTMQVCVDOPVIID-GOSISDBHSA-N 1 2 369.469 2.296 20 30 FEEDLO C=CCNC(=O)c1ccc(NC[C@@H](c2ccccc2)[NH+]2CCOCC2)nc1 ZINC000492973026 561453902 /nfs/dbraw/zinc/45/39/02/561453902.db2.gz PIKMUTNRCUGMGA-IBGZPJMESA-N 1 2 366.465 2.483 20 30 FEEDLO COCC1(C#N)CCN(C(=O)Nc2ccccc2C[NH+]2CCOCC2)CC1 ZINC000493823120 561458342 /nfs/dbraw/zinc/45/83/42/561458342.db2.gz VALVPZMPVWCQCN-UHFFFAOYSA-N 1 2 372.469 2.303 20 30 FEEDLO COc1ccccc1-c1noc([C@@H](C)[NH2+]CC(=O)N[C@@](C)(C#N)C2CC2)n1 ZINC000273408942 550497332 /nfs/dbraw/zinc/49/73/32/550497332.db2.gz SMTVQUAWTNELHE-BLVKFPJESA-N 1 2 369.425 2.204 20 30 FEEDLO C=CCC[C@H](NS(=O)(=O)CCC[NH+]1CCOCC1)c1ccccc1 ZINC000274238267 550529202 /nfs/dbraw/zinc/52/92/02/550529202.db2.gz SLAFCQLJKNOUTG-SFHVURJKSA-N 1 2 352.500 2.336 20 30 FEEDLO C=CCC[C@@H](NS(=O)(=O)CCC[NH+]1CCOCC1)c1ccccc1 ZINC000274238266 550529314 /nfs/dbraw/zinc/52/93/14/550529314.db2.gz SLAFCQLJKNOUTG-GOSISDBHSA-N 1 2 352.500 2.336 20 30 FEEDLO C[NH+](C)C1(C#N)CCN(C(=O)N[C@@H]2CCCN(c3ccccc3F)C2)CC1 ZINC000275151362 550570841 /nfs/dbraw/zinc/57/08/41/550570841.db2.gz SAQVDRSEYPVWJG-MRXNPFEDSA-N 1 2 373.476 2.424 20 30 FEEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)/C=C/c2ccc(OCC#N)cc2)CCO1 ZINC000276292314 550577921 /nfs/dbraw/zinc/57/79/21/550577921.db2.gz NNTKSYOFYNQJBN-ZEKNOPMESA-N 1 2 366.421 2.372 20 30 FEEDLO C[C@@H]1c2nncn2CC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000276811540 550598772 /nfs/dbraw/zinc/59/87/72/550598772.db2.gz NILDSPKHESYBHG-LLVKDONJSA-N 1 2 356.455 2.105 20 30 FEEDLO C[C@@H]1c2nncn2CC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000276811540 550598774 /nfs/dbraw/zinc/59/87/74/550598774.db2.gz NILDSPKHESYBHG-LLVKDONJSA-N 1 2 356.455 2.105 20 30 FEEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@@H](C)c1nncn1C ZINC000494783983 561476446 /nfs/dbraw/zinc/47/64/46/561476446.db2.gz ISAMNWKCTVSWNM-OLZOCXBDSA-N 1 2 358.471 2.356 20 30 FEEDLO C#CCC(CC#C)C(=O)N1CC[NH+](Cc2cc(OC)ccc2OC)CC1 ZINC000277327619 550656933 /nfs/dbraw/zinc/65/69/33/550656933.db2.gz GEYQBWNOHYJDES-UHFFFAOYSA-N 1 2 354.450 2.011 20 30 FEEDLO C[N@H+](CCN1CCOC(C)(C)C1)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000279714530 550920515 /nfs/dbraw/zinc/92/05/15/550920515.db2.gz KWEVSIPOXHFOFQ-UHFFFAOYSA-N 1 2 364.877 2.193 20 30 FEEDLO C[N@@H+](CCN1CCOC(C)(C)C1)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000279714530 550920516 /nfs/dbraw/zinc/92/05/16/550920516.db2.gz KWEVSIPOXHFOFQ-UHFFFAOYSA-N 1 2 364.877 2.193 20 30 FEEDLO N#Cc1ccc(Cl)cc1NC(=O)CN1CC[NH+](Cc2ccccn2)CC1 ZINC000280142504 550965101 /nfs/dbraw/zinc/96/51/01/550965101.db2.gz FHXNLWQYZHMTLA-UHFFFAOYSA-N 1 2 369.856 2.363 20 30 FEEDLO COc1cc(C[NH+]2CCN(C(=O)c3cc(C#N)oc3C)CC2)cc(OC)c1 ZINC000280647237 551016932 /nfs/dbraw/zinc/01/69/32/551016932.db2.gz NWFMXFSBFNEDEB-UHFFFAOYSA-N 1 2 369.421 2.435 20 30 FEEDLO CCCOc1ccc(/C=[NH+]/C[C@H]2CCn3ncc(C(N)=O)c3C2)c(O)c1 ZINC000280952206 551048955 /nfs/dbraw/zinc/04/89/55/551048955.db2.gz JUGYGCJUKZDHDC-PUFAJPFRSA-N 1 2 356.426 2.158 20 30 FEEDLO N#Cc1ccc(F)cc1C[NH+]1CCC(S(=O)(=O)N2CCCC2)CC1 ZINC000282309509 551210035 /nfs/dbraw/zinc/21/00/35/551210035.db2.gz TUAIFGPRNKHKQK-UHFFFAOYSA-N 1 2 351.447 2.087 20 30 FEEDLO C=CCn1c(-c2ccc[nH]2)nnc1N1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000282413493 551225434 /nfs/dbraw/zinc/22/54/34/551225434.db2.gz XNLYYNXPOOBXBS-UHFFFAOYSA-N 1 2 367.457 2.386 20 30 FEEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCN(c2cncc3ccccc32)CC1 ZINC000282730195 551264371 /nfs/dbraw/zinc/26/43/71/551264371.db2.gz CLGHQRKDGRKLOE-KRWDZBQOSA-N 1 2 365.481 2.365 20 30 FEEDLO CCCCCCCCNC(=O)C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000283922917 551450190 /nfs/dbraw/zinc/45/01/90/551450190.db2.gz ILXKKLDOGDSSHE-UHFFFAOYSA-N 1 2 357.458 2.360 20 30 FEEDLO C[C@@H](O[NH+]=C(N)[C@H]1CCCO1)C(=O)N(C)Cc1c(F)cccc1Cl ZINC000284086268 551481171 /nfs/dbraw/zinc/48/11/71/551481171.db2.gz KSGFFTVTUSIPLY-QMTHXVAHSA-N 1 2 357.813 2.294 20 30 FEEDLO C=C(C)CN(CC)C(=O)C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1F ZINC000284478134 551557923 /nfs/dbraw/zinc/55/79/23/551557923.db2.gz XAXPRWIAIMAVAS-INIZCTEOSA-N 1 2 358.417 2.189 20 30 FEEDLO C=CCC[C@@H](NC(=O)C(=O)NCC(C)(C)[NH+]1CCOCC1)c1ccccc1 ZINC000284630685 551594489 /nfs/dbraw/zinc/59/44/89/551594489.db2.gz YYOKWBBKBGHTLP-GOSISDBHSA-N 1 2 373.497 2.037 20 30 FEEDLO COc1cc(C#N)ccc1C[N@@H+]1CCN(C)[C@H](c2nc(C3CC3)no2)C1 ZINC000284811980 551639832 /nfs/dbraw/zinc/63/98/32/551639832.db2.gz IXZMQLDETPFSDJ-INIZCTEOSA-N 1 2 353.426 2.316 20 30 FEEDLO COc1cc(C#N)ccc1C[N@H+]1CCN(C)[C@H](c2nc(C3CC3)no2)C1 ZINC000284811980 551639834 /nfs/dbraw/zinc/63/98/34/551639834.db2.gz IXZMQLDETPFSDJ-INIZCTEOSA-N 1 2 353.426 2.316 20 30 FEEDLO CC[N@@H+]1CCO[C@@H](CNS(=O)(=O)CCCCC#N)[C@@H]1c1ccccc1 ZINC000284843079 551648205 /nfs/dbraw/zinc/64/82/05/551648205.db2.gz WUXYGFMCKPMKCC-ROUUACIJSA-N 1 2 365.499 2.062 20 30 FEEDLO CC[N@H+]1CCO[C@@H](CNS(=O)(=O)CCCCC#N)[C@@H]1c1ccccc1 ZINC000284843079 551648209 /nfs/dbraw/zinc/64/82/09/551648209.db2.gz WUXYGFMCKPMKCC-ROUUACIJSA-N 1 2 365.499 2.062 20 30 FEEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCO[C@@]3(CCCOC3)C2)c1C ZINC000285178629 551716333 /nfs/dbraw/zinc/71/63/33/551716333.db2.gz BNFHXWBTWREXCN-NRFANRHFSA-N 1 2 371.481 2.432 20 30 FEEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCO[C@@]3(CCCOC3)C2)c1C ZINC000285178629 551716334 /nfs/dbraw/zinc/71/63/34/551716334.db2.gz BNFHXWBTWREXCN-NRFANRHFSA-N 1 2 371.481 2.432 20 30 FEEDLO CCOc1ccc(O)c(/C=[NH+]/C[C@H]2CCCC[C@@H]2NS(C)(=O)=O)c1 ZINC000285434241 551756162 /nfs/dbraw/zinc/75/61/62/551756162.db2.gz OZYXTGPBOFGIIQ-QHQMAFQBSA-N 1 2 354.472 2.318 20 30 FEEDLO Cc1cc(NC(=O)C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)n(C)n1 ZINC000285571811 551776468 /nfs/dbraw/zinc/77/64/68/551776468.db2.gz UKBZWZYMGROMLB-UHFFFAOYSA-N 1 2 371.416 2.221 20 30 FEEDLO C=CCn1c(=O)c2ccc(C(=O)N(CCC)[C@@H]3CC[NH2+]C3)cc2[nH]c1=S ZINC000285653296 551790002 /nfs/dbraw/zinc/79/00/02/551790002.db2.gz HAPHDRMKAOCGNY-CQSZACIVSA-N 1 2 372.494 2.085 20 30 FEEDLO COC(=O)[C@@]1(C(F)(F)F)CC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000286350919 551877391 /nfs/dbraw/zinc/87/73/91/551877391.db2.gz FNMJUCBCQTVIQZ-MEDUHNTESA-N 1 2 369.343 2.313 20 30 FEEDLO COC(=O)[C@@]1(C(F)(F)F)CC[N@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000286350919 551877394 /nfs/dbraw/zinc/87/73/94/551877394.db2.gz FNMJUCBCQTVIQZ-MEDUHNTESA-N 1 2 369.343 2.313 20 30 FEEDLO COC(=O)c1cccc(Cl)c1CN(CCC#N)CC[NH+]1CCOCC1 ZINC000286364239 551879005 /nfs/dbraw/zinc/87/90/05/551879005.db2.gz JPYPHVGOHYYLIT-UHFFFAOYSA-N 1 2 365.861 2.174 20 30 FEEDLO C#CCOc1ccc(F)cc1NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000287140112 551968705 /nfs/dbraw/zinc/96/87/05/551968705.db2.gz NRKWJEQFKINOMS-GOEBONIOSA-N 1 2 361.417 2.165 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)o1 ZINC000287604348 552024381 /nfs/dbraw/zinc/02/43/81/552024381.db2.gz ZHJPWIQGGFIIDF-CYBMUJFWSA-N 1 2 360.439 2.252 20 30 FEEDLO C[C@@]12CC[N@H+](CCS(=O)(=O)c3ccc(C#N)cn3)C[C@@H]1C2(Cl)Cl ZINC000289435372 552321120 /nfs/dbraw/zinc/32/11/20/552321120.db2.gz OAAZHTWNFANYNE-GXTWGEPZSA-N 1 2 374.293 2.243 20 30 FEEDLO C[C@@]12CC[N@@H+](CCS(=O)(=O)c3ccc(C#N)cn3)C[C@@H]1C2(Cl)Cl ZINC000289435372 552321122 /nfs/dbraw/zinc/32/11/22/552321122.db2.gz OAAZHTWNFANYNE-GXTWGEPZSA-N 1 2 374.293 2.243 20 30 FEEDLO COC(=O)[C@H]([N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1)C1(OC)CCC1 ZINC000289442995 552322086 /nfs/dbraw/zinc/32/20/86/552322086.db2.gz WQIJDJJXORWBGY-IBGZPJMESA-N 1 2 371.481 2.177 20 30 FEEDLO COC(=O)[C@H]([N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1)C1(OC)CCC1 ZINC000289442995 552322088 /nfs/dbraw/zinc/32/20/88/552322088.db2.gz WQIJDJJXORWBGY-IBGZPJMESA-N 1 2 371.481 2.177 20 30 FEEDLO CCOC(=O)c1ccc(C[NH+]2CCN(c3snc(C)c3C#N)CC2)o1 ZINC000289484338 552328909 /nfs/dbraw/zinc/32/89/09/552328909.db2.gz OKINDAPEWZQQKJ-UHFFFAOYSA-N 1 2 360.439 2.415 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)cc1 ZINC000289622892 552351631 /nfs/dbraw/zinc/35/16/31/552351631.db2.gz RNNPIZSZAWTTMC-QZTJIDSGSA-N 1 2 360.479 2.365 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)cc1 ZINC000289622892 552351634 /nfs/dbraw/zinc/35/16/34/552351634.db2.gz RNNPIZSZAWTTMC-QZTJIDSGSA-N 1 2 360.479 2.365 20 30 FEEDLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)Nc1ncccc1OCCCC#N ZINC000290045858 552419075 /nfs/dbraw/zinc/41/90/75/552419075.db2.gz AVLTXJBWNCXHJZ-HZPDHXFCSA-N 1 2 373.457 2.091 20 30 FEEDLO N#Cc1cncc(S(=O)(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000290130819 552432038 /nfs/dbraw/zinc/43/20/38/552432038.db2.gz LSTUABKPAXYDJQ-UHFFFAOYSA-N 1 2 371.466 2.054 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCC(F)(F)[C@@H](CO)C2)c1 ZINC000292003221 552683419 /nfs/dbraw/zinc/68/34/19/552683419.db2.gz XMGNTJALTMPCKB-MRXNPFEDSA-N 1 2 365.424 2.500 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCC(F)(F)[C@@H](CO)C2)c1 ZINC000292003221 552683421 /nfs/dbraw/zinc/68/34/21/552683421.db2.gz XMGNTJALTMPCKB-MRXNPFEDSA-N 1 2 365.424 2.500 20 30 FEEDLO Cn1cc(C[NH+]2CCC(CS(C)(=O)=O)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000292043730 552687812 /nfs/dbraw/zinc/68/78/12/552687812.db2.gz ATDIDOCXFKMAST-UHFFFAOYSA-N 1 2 372.494 2.215 20 30 FEEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292140885 552697726 /nfs/dbraw/zinc/69/77/26/552697726.db2.gz JLQKORGNCXBVKR-WMLDXEAASA-N 1 2 361.405 2.305 20 30 FEEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292140885 552697727 /nfs/dbraw/zinc/69/77/27/552697727.db2.gz JLQKORGNCXBVKR-WMLDXEAASA-N 1 2 361.405 2.305 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Cc1c[nH]c2cccc(Cl)c12 ZINC000293421754 552822138 /nfs/dbraw/zinc/82/21/38/552822138.db2.gz NDUNVLACQNVGOR-UHFFFAOYSA-N 1 2 374.872 2.438 20 30 FEEDLO C=CCn1c(=O)c2ccc(C(=O)N3CC[C@@H](C)C[C@@H]3C[NH3+])cc2[nH]c1=S ZINC000293691021 552847645 /nfs/dbraw/zinc/84/76/45/552847645.db2.gz PCFLGSJMADAUGA-TZMCWYRMSA-N 1 2 372.494 2.071 20 30 FEEDLO C=CCOc1ccc(CC(=O)N2CC[C@H]([NH+]3CCN(CC)CC3)C2)cc1 ZINC000294593309 552918641 /nfs/dbraw/zinc/91/86/41/552918641.db2.gz LPOJQHVPIPYTCX-IBGZPJMESA-N 1 2 357.498 2.032 20 30 FEEDLO Cc1oc(NC(=O)C[N@@H+]2CCC[C@H](CC(C)(C)C(N)=O)C2)c(C#N)c1C ZINC000295419028 553003568 /nfs/dbraw/zinc/00/35/68/553003568.db2.gz CHEFBFXFEKXRFS-CQSZACIVSA-N 1 2 360.458 2.320 20 30 FEEDLO Cc1oc(NC(=O)C[N@H+]2CCC[C@H](CC(C)(C)C(N)=O)C2)c(C#N)c1C ZINC000295419028 553003569 /nfs/dbraw/zinc/00/35/69/553003569.db2.gz CHEFBFXFEKXRFS-CQSZACIVSA-N 1 2 360.458 2.320 20 30 FEEDLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1c1ncc(Br)cc1C#N ZINC000295677700 553043622 /nfs/dbraw/zinc/04/36/22/553043622.db2.gz LNLQLHZZASQGMO-BXUZGUMPSA-N 1 2 351.248 2.015 20 30 FEEDLO C=CCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000296029802 553092397 /nfs/dbraw/zinc/09/23/97/553092397.db2.gz SSFRQIJIDOEBLD-INIZCTEOSA-N 1 2 369.473 2.131 20 30 FEEDLO C=C(C)CS(=O)(=O)N1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000296191136 553119671 /nfs/dbraw/zinc/11/96/71/553119671.db2.gz VPMFOXCRHACQOT-OAHLLOKOSA-N 1 2 351.472 2.041 20 30 FEEDLO Cc1c(C#N)c(N2CC[NH+](CC(=O)NC(C)C)CC2)nc2ccccc12 ZINC000296587215 553183421 /nfs/dbraw/zinc/18/34/21/553183421.db2.gz ROZVOYCCHNJSKE-UHFFFAOYSA-N 1 2 351.454 2.062 20 30 FEEDLO Cc1ccc(N(CCC#N)C(=O)C[N@H+]2CC[C@@H](OC(=O)N(C)C)C2)cc1C ZINC000296600397 553185436 /nfs/dbraw/zinc/18/54/36/553185436.db2.gz GBQSKDYTBOMWDJ-GOSISDBHSA-N 1 2 372.469 2.323 20 30 FEEDLO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H](OC(=O)N(C)C)C2)cc1C ZINC000296600397 553185438 /nfs/dbraw/zinc/18/54/38/553185438.db2.gz GBQSKDYTBOMWDJ-GOSISDBHSA-N 1 2 372.469 2.323 20 30 FEEDLO CC(C)(C)c1cc(C#N)c(NC(=O)C(=O)N2CCn3c[nH+]cc3C2)s1 ZINC000297082893 553251006 /nfs/dbraw/zinc/25/10/06/553251006.db2.gz UVDSQDKSGJSBGM-UHFFFAOYSA-N 1 2 357.439 2.095 20 30 FEEDLO C[N@H+](CCNC(=O)OC(C)(C)C)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000297410890 553288800 /nfs/dbraw/zinc/28/88/00/553288800.db2.gz LLAIMEDNCCLVCF-CYBMUJFWSA-N 1 2 364.471 2.182 20 30 FEEDLO C[N@@H+](CCNC(=O)OC(C)(C)C)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000297410890 553288802 /nfs/dbraw/zinc/28/88/02/553288802.db2.gz LLAIMEDNCCLVCF-CYBMUJFWSA-N 1 2 364.471 2.182 20 30 FEEDLO N#CCOc1ccc(C[NH+]2CCN(CC(=O)N3CCCCCC3)CC2)cc1 ZINC000298398748 553420528 /nfs/dbraw/zinc/42/05/28/553420528.db2.gz JJDMKBNCBBLFDX-UHFFFAOYSA-N 1 2 370.497 2.109 20 30 FEEDLO N#CCOc1ccc(CN2CC[NH+](CC(=O)N3CCCCCC3)CC2)cc1 ZINC000298398748 553420529 /nfs/dbraw/zinc/42/05/29/553420529.db2.gz JJDMKBNCBBLFDX-UHFFFAOYSA-N 1 2 370.497 2.109 20 30 FEEDLO C[C@@H](NC(=O)[C@@H](C)[NH+]1CCN(c2ccc(C#N)cn2)CC1)c1ccccc1 ZINC000299039326 553507261 /nfs/dbraw/zinc/50/72/61/553507261.db2.gz JLPPSHHDNLYEIO-IAGOWNOFSA-N 1 2 363.465 2.341 20 30 FEEDLO C[C@H]([NH2+][C@@H]1CCN(c2sccc2C#N)C1=O)c1nnc2ccccn21 ZINC000299121292 553518011 /nfs/dbraw/zinc/51/80/11/553518011.db2.gz VTZHJWXMTHTDBR-WCQYABFASA-N 1 2 352.423 2.119 20 30 FEEDLO C=CCNS(=O)(=O)c1ccc(C(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)cc1 ZINC000299485053 553569974 /nfs/dbraw/zinc/56/99/74/553569974.db2.gz DOIVIJLARGNIOC-MRXNPFEDSA-N 1 2 374.466 2.241 20 30 FEEDLO C=CCNS(=O)(=O)c1cccc(C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)c1 ZINC000299513963 553573885 /nfs/dbraw/zinc/57/38/85/553573885.db2.gz KEJMEOYSDBDXGB-INIZCTEOSA-N 1 2 374.466 2.241 20 30 FEEDLO C[N@H+](Cc1ccccc1)C1CN(CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000504658015 561660728 /nfs/dbraw/zinc/66/07/28/561660728.db2.gz MPGMUCYIQRHVDN-UHFFFAOYSA-N 1 2 369.490 2.148 20 30 FEEDLO C[N@@H+](Cc1ccccc1)C1CN(CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000504658015 561660729 /nfs/dbraw/zinc/66/07/29/561660729.db2.gz MPGMUCYIQRHVDN-UHFFFAOYSA-N 1 2 369.490 2.148 20 30 FEEDLO O=C(N[C@@H]1CCCC12CCOCC2)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000328694010 553808236 /nfs/dbraw/zinc/80/82/36/553808236.db2.gz FVTJVBGBRQELLU-IAGOWNOFSA-N 1 2 351.491 2.046 20 30 FEEDLO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(Cc2ncnn2C(C)(C)C)CC1 ZINC000328698480 553808829 /nfs/dbraw/zinc/80/88/29/553808829.db2.gz VBSCATSMHCFLEG-HNNXBMFYSA-N 1 2 362.522 2.438 20 30 FEEDLO Cc1cc2c[nH]nc2c(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)c1 ZINC000328704812 553809843 /nfs/dbraw/zinc/80/98/43/553809843.db2.gz PAPDYDQUXDYHRZ-SFHVURJKSA-N 1 2 360.483 2.384 20 30 FEEDLO N#C[C@@H]1CC[C@@H]([NH+]2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)C1 ZINC000328719446 553812342 /nfs/dbraw/zinc/81/23/42/553812342.db2.gz GHUFJNUURFUVMU-CRAIPNDOSA-N 1 2 359.495 2.174 20 30 FEEDLO O=C(Nc1ccccc1C[NH+]1CCC(O)CC1)[C@@H]1CCc2[nH]nnc2C1 ZINC000328766046 553819261 /nfs/dbraw/zinc/81/92/61/553819261.db2.gz HAWGPUSYTQLTLH-CYBMUJFWSA-N 1 2 355.442 2.155 20 30 FEEDLO O=C(Nc1ccccc1C[NH+]1CCC(O)CC1)[C@@H]1CCc2nn[nH]c2C1 ZINC000328766046 553819263 /nfs/dbraw/zinc/81/92/63/553819263.db2.gz HAWGPUSYTQLTLH-CYBMUJFWSA-N 1 2 355.442 2.155 20 30 FEEDLO O=C(NCc1cc[nH+]c(N2CCOCC2)c1)c1coc(C2CCOCC2)n1 ZINC000328819394 553827326 /nfs/dbraw/zinc/82/73/26/553827326.db2.gz QIQXUFRCKUVJCA-UHFFFAOYSA-N 1 2 372.425 2.305 20 30 FEEDLO CC(=O)N[C@H](CC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1)c1cccs1 ZINC000328867017 553836036 /nfs/dbraw/zinc/83/60/36/553836036.db2.gz CBINNZTXLWZWAT-KFWWJZLASA-N 1 2 351.472 2.087 20 30 FEEDLO CC(=O)N[C@H](CC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1)c1cccs1 ZINC000328867017 553836037 /nfs/dbraw/zinc/83/60/37/553836037.db2.gz CBINNZTXLWZWAT-KFWWJZLASA-N 1 2 351.472 2.087 20 30 FEEDLO Cc1ccc(C#N)cc1S(=O)(=O)N1CC[N@@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000328894497 553840413 /nfs/dbraw/zinc/84/04/13/553840413.db2.gz UWNCXUJWEKTSSK-IBGZPJMESA-N 1 2 369.490 2.414 20 30 FEEDLO Cc1ccc(C#N)cc1S(=O)(=O)N1CC[N@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000328894497 553840415 /nfs/dbraw/zinc/84/04/15/553840415.db2.gz UWNCXUJWEKTSSK-IBGZPJMESA-N 1 2 369.490 2.414 20 30 FEEDLO CN1CCO[C@@H]2CC[N@H+](CC(=O)Nc3ccc(N4CCCCC4)nc3)C[C@H]21 ZINC000328913265 553843929 /nfs/dbraw/zinc/84/39/29/553843929.db2.gz PKVANCBRVWREFY-QZTJIDSGSA-N 1 2 373.501 2.065 20 30 FEEDLO CN1CCO[C@@H]2CC[N@@H+](CC(=O)Nc3ccc(N4CCCCC4)nc3)C[C@H]21 ZINC000328913265 553843931 /nfs/dbraw/zinc/84/39/31/553843931.db2.gz PKVANCBRVWREFY-QZTJIDSGSA-N 1 2 373.501 2.065 20 30 FEEDLO C[N@@H+]1CCO[C@@H]2CCN(CC(=O)Nc3ccc(N4CCCCC4)nc3)C[C@H]21 ZINC000328913265 553843935 /nfs/dbraw/zinc/84/39/35/553843935.db2.gz PKVANCBRVWREFY-QZTJIDSGSA-N 1 2 373.501 2.065 20 30 FEEDLO C[N@H+]1CCO[C@@H]2CCN(CC(=O)Nc3ccc(N4CCCCC4)nc3)C[C@H]21 ZINC000328913265 553843938 /nfs/dbraw/zinc/84/39/38/553843938.db2.gz PKVANCBRVWREFY-QZTJIDSGSA-N 1 2 373.501 2.065 20 30 FEEDLO N#C[C@@H]1N(C(=O)c2cc(-n3cc[nH+]c3)ccn2)CCC[C@@]12CCCCO2 ZINC000328977326 553857548 /nfs/dbraw/zinc/85/75/48/553857548.db2.gz BZBMRWZUGKETCI-HKUYNNGSSA-N 1 2 351.410 2.335 20 30 FEEDLO Cc1noc(C)c1CC(=O)N[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C ZINC000328993992 553860995 /nfs/dbraw/zinc/86/09/95/553860995.db2.gz DXJFDFLNZQAHKF-DNVCBOLYSA-N 1 2 371.441 2.419 20 30 FEEDLO C[C@H](C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)N1CCn2cc[nH+]c2C1 ZINC000329036825 553868777 /nfs/dbraw/zinc/86/87/77/553868777.db2.gz YZCJBONVVPWJRA-GFCCVEGCSA-N 1 2 371.397 2.061 20 30 FEEDLO Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)N[C@@H]2CCO[C@@H](C)C2)cc1 ZINC000329085121 553877435 /nfs/dbraw/zinc/87/74/35/553877435.db2.gz GEJVGFJVZDFERO-UHOSZYNNSA-N 1 2 361.486 2.439 20 30 FEEDLO CCC1(C(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)CCOCC1 ZINC000329226525 553906389 /nfs/dbraw/zinc/90/63/89/553906389.db2.gz ALTOKHYDOFGHKY-UHFFFAOYSA-N 1 2 351.491 2.094 20 30 FEEDLO C[C@@H]1CSCCN(C(=O)N[C@@H](c2[nH+]ccn2C)C2CCOCC2)C1 ZINC000329235174 553907988 /nfs/dbraw/zinc/90/79/88/553907988.db2.gz NFJOKCMTZVNNHV-DZGCQCFKSA-N 1 2 352.504 2.487 20 30 FEEDLO O=C(Nc1ccccc1)N1CCC(C(=O)N2CCn3cc[nH+]c3C2)CC1 ZINC000329306865 553922355 /nfs/dbraw/zinc/92/23/55/553922355.db2.gz PJFISCBRCXGMLI-UHFFFAOYSA-N 1 2 353.426 2.183 20 30 FEEDLO C[C@@H]1CN(C(=O)Nc2csc(-c3ccccn3)n2)C[C@@H]1[NH+]1CCOCC1 ZINC000329403754 553940049 /nfs/dbraw/zinc/94/00/49/553940049.db2.gz CFWBYPGIHGVDAQ-HIFRSBDPSA-N 1 2 373.482 2.403 20 30 FEEDLO COc1ccc2c(c1)CCC[C@@H]2CNC(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000329603521 553974839 /nfs/dbraw/zinc/97/48/39/553974839.db2.gz LJXLKPZZWJTSKS-AYOQOUSVSA-N 1 2 359.470 2.044 20 30 FEEDLO COc1ccc2c(c1)CCC[C@@H]2CNC(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000329603521 553974840 /nfs/dbraw/zinc/97/48/40/553974840.db2.gz LJXLKPZZWJTSKS-AYOQOUSVSA-N 1 2 359.470 2.044 20 30 FEEDLO O=C(NCc1cc[nH+]c(N2CCOCC2)c1)NC[C@@H]1CCCCS1 ZINC000329680574 553987110 /nfs/dbraw/zinc/98/71/10/553987110.db2.gz XXEVTIVUKAEYKG-HNNXBMFYSA-N 1 2 350.488 2.208 20 30 FEEDLO COc1ccc(OC)c(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](N3CCOCC3)C2)c1 ZINC000329683584 553987977 /nfs/dbraw/zinc/98/79/77/553987977.db2.gz XUPFGRDZACQJSW-LSDHHAIUSA-N 1 2 363.458 2.087 20 30 FEEDLO COc1ccc(OC)c(NC(=O)[C@H](C)[N@H+]2CC[C@@H](N3CCOCC3)C2)c1 ZINC000329683584 553987979 /nfs/dbraw/zinc/98/79/79/553987979.db2.gz XUPFGRDZACQJSW-LSDHHAIUSA-N 1 2 363.458 2.087 20 30 FEEDLO COc1ccc(OC)c(NC(=O)[C@H](C)N2CC[C@@H]([NH+]3CCOCC3)C2)c1 ZINC000329683584 553987983 /nfs/dbraw/zinc/98/79/83/553987983.db2.gz XUPFGRDZACQJSW-LSDHHAIUSA-N 1 2 363.458 2.087 20 30 FEEDLO C[C@H](C(=O)Nc1ccccc1OC(F)F)[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000329692528 553990192 /nfs/dbraw/zinc/99/01/92/553990192.db2.gz WONHBOSRBRWJTL-OLZOCXBDSA-N 1 2 355.385 2.281 20 30 FEEDLO C[C@H](C(=O)Nc1ccccc1OC(F)F)[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000329692528 553990193 /nfs/dbraw/zinc/99/01/93/553990193.db2.gz WONHBOSRBRWJTL-OLZOCXBDSA-N 1 2 355.385 2.281 20 30 FEEDLO Cc1nc(N2CCN(CC(=O)Nc3nc4c(s3)CCC4)CC2)cc[nH+]1 ZINC000329770076 554003060 /nfs/dbraw/zinc/00/30/60/554003060.db2.gz FTLAKFXONAKNQZ-UHFFFAOYSA-N 1 2 358.471 2.140 20 30 FEEDLO Cc1nc(C)c(NC(=O)N2CC[NH+]([C@@H](C)C(=O)NC3CC3)CC2)s1 ZINC000329776301 554003822 /nfs/dbraw/zinc/00/38/22/554003822.db2.gz NYMNTINEQNCUBR-NSHDSACASA-N 1 2 351.476 2.430 20 30 FEEDLO O=C(C[NH+]1CCC(NC(=O)N2CC[C@H](CCO)C2)CC1)Nc1ccccc1 ZINC000329779474 554004197 /nfs/dbraw/zinc/00/41/97/554004197.db2.gz QZABVDIBALYNQG-MRXNPFEDSA-N 1 2 374.485 2.357 20 30 FEEDLO COc1ccc(NC(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)c(C(F)(F)F)c1 ZINC000329802609 554008669 /nfs/dbraw/zinc/00/86/69/554008669.db2.gz ZFBBTEXAVTXPMC-UONOGXRCSA-N 1 2 359.348 2.274 20 30 FEEDLO COc1ccc(NC(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)c(C(F)(F)F)c1 ZINC000329802609 554008670 /nfs/dbraw/zinc/00/86/70/554008670.db2.gz ZFBBTEXAVTXPMC-UONOGXRCSA-N 1 2 359.348 2.274 20 30 FEEDLO Cc1cc(NC(=O)N2CCN3CCOC[C@@H]3C2)c[nH+]c1N1CCCC[C@H]1C ZINC000329809832 554009586 /nfs/dbraw/zinc/00/95/86/554009586.db2.gz CEUFGJDQHKEHLI-AEFFLSMTSA-N 1 2 373.501 2.331 20 30 FEEDLO Cc1cc(C[N@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)NC[C@]2(C)CCOC2)on1 ZINC000329902388 554027582 /nfs/dbraw/zinc/02/75/82/554027582.db2.gz HOTMYBMSAOEKNS-MPGHIAIKSA-N 1 2 368.453 2.168 20 30 FEEDLO Cc1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)NC[C@]2(C)CCOC2)on1 ZINC000329902388 554027586 /nfs/dbraw/zinc/02/75/86/554027586.db2.gz HOTMYBMSAOEKNS-MPGHIAIKSA-N 1 2 368.453 2.168 20 30 FEEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)Nc3ccc4oc(C(F)(F)F)nc4c3)C[C@H]21 ZINC000329920218 554031461 /nfs/dbraw/zinc/03/14/61/554031461.db2.gz GWRZHROBIIDZPT-DGCLKSJQSA-N 1 2 370.331 2.407 20 30 FEEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)Nc3ccc4oc(C(F)(F)F)nc4c3)C[C@H]21 ZINC000329920218 554031464 /nfs/dbraw/zinc/03/14/64/554031464.db2.gz GWRZHROBIIDZPT-DGCLKSJQSA-N 1 2 370.331 2.407 20 30 FEEDLO C[C@@H]1OCC[C@@]12C[N@H+](CC(=O)NCCO[C@H]1CCCC[C@H]1C)CCO2 ZINC000329920646 554031873 /nfs/dbraw/zinc/03/18/73/554031873.db2.gz FDKWQANQCWRCNW-VUHPKUFZSA-N 1 2 354.491 2.418 20 30 FEEDLO C[C@@H]1OCC[C@@]12C[N@@H+](CC(=O)NCCO[C@H]1CCCC[C@H]1C)CCO2 ZINC000329920646 554031876 /nfs/dbraw/zinc/03/18/76/554031876.db2.gz FDKWQANQCWRCNW-VUHPKUFZSA-N 1 2 354.491 2.418 20 30 FEEDLO C[C@@H]1OCC[C@@]12C[N@H+](CC(=O)Nc1ccc3c(c1)OCCCO3)CCO2 ZINC000329925991 554033042 /nfs/dbraw/zinc/03/30/42/554033042.db2.gz VWYYIRMOGOKVFX-IFXJQAMLSA-N 1 2 362.426 2.316 20 30 FEEDLO C[C@@H]1OCC[C@@]12C[N@@H+](CC(=O)Nc1ccc3c(c1)OCCCO3)CCO2 ZINC000329925991 554033047 /nfs/dbraw/zinc/03/30/47/554033047.db2.gz VWYYIRMOGOKVFX-IFXJQAMLSA-N 1 2 362.426 2.316 20 30 FEEDLO O=C(NC1CC1)c1cccc(C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)c1 ZINC000329926001 554033135 /nfs/dbraw/zinc/03/31/35/554033135.db2.gz KGJZDTMQBAEMES-IBGZPJMESA-N 1 2 371.481 2.481 20 30 FEEDLO CCN1CCN([C@H](C)C(=O)Nc2c(C)nn(C)c2C)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329934114 554034864 /nfs/dbraw/zinc/03/48/64/554034864.db2.gz JPKZIXSRMJGGRU-HUUCEWRRSA-N 1 2 359.478 2.115 20 30 FEEDLO C[C@@H]1C[C@H](NC([O-])=[NH+]C[C@@H]2CCc3[nH+]ccn3C2)C(=O)N1c1ccccc1 ZINC000329970318 554041845 /nfs/dbraw/zinc/04/18/45/554041845.db2.gz XBGLYDBACVMROX-VYDXJSESSA-N 1 2 367.453 2.143 20 30 FEEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)COC2CCC(C)CC2)CC1 ZINC000329976975 554042349 /nfs/dbraw/zinc/04/23/49/554042349.db2.gz ZEOGAPYIRUUZHC-ISXOHVOVSA-N 1 2 351.491 2.233 20 30 FEEDLO CC[C@@H]1C[C@H](C(=O)NC[C@@H]2C[C@H](F)C[N@@H+]2Cc2cnn(C)c2)CC(=O)N1 ZINC000329979679 554042975 /nfs/dbraw/zinc/04/29/75/554042975.db2.gz KBKTVZUSKQAMQV-JONQDZQNSA-N 1 2 365.453 2.434 20 30 FEEDLO CC[C@@H]1C[C@H](C(=O)NC[C@@H]2C[C@H](F)C[N@H+]2Cc2cnn(C)c2)CC(=O)N1 ZINC000329979679 554042977 /nfs/dbraw/zinc/04/29/77/554042977.db2.gz KBKTVZUSKQAMQV-JONQDZQNSA-N 1 2 365.453 2.434 20 30 FEEDLO C[C@H](C[NH+]1CCOCC1)Nc1nc2c(c(C#N)c1C#N)CCCCCC2 ZINC000330033631 554052760 /nfs/dbraw/zinc/05/27/60/554052760.db2.gz AJHCINYQLGCQJO-OAHLLOKOSA-N 1 2 353.470 2.617 20 30 FEEDLO C[C@H](NC(=O)C1CCCCC1)C(=O)N1CC[C@H]([N@H+](C)Cc2ncccn2)C1 ZINC000330099417 554064655 /nfs/dbraw/zinc/06/46/55/554064655.db2.gz ZTEQALZNJZAWPJ-RDJZCZTQSA-N 1 2 373.501 2.435 20 30 FEEDLO C[C@H](NC(=O)C1CCCCC1)C(=O)N1CC[C@H]([N@@H+](C)Cc2ncccn2)C1 ZINC000330099417 554064656 /nfs/dbraw/zinc/06/46/56/554064656.db2.gz ZTEQALZNJZAWPJ-RDJZCZTQSA-N 1 2 373.501 2.435 20 30 FEEDLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1CC(=O)N(C(C)(C)C)[C@H]1c1cnn(C)c1 ZINC000330113791 554066748 /nfs/dbraw/zinc/06/67/48/554066748.db2.gz SJPIKBMUCZLMIC-CJNGLKHVSA-N 1 2 358.446 2.296 20 30 FEEDLO C[C@@H](C(=O)Nc1ccc2c(c1)OCCCO2)[N@@H+]1CCc2n[nH]c(=O)cc2C1 ZINC000330146152 554073303 /nfs/dbraw/zinc/07/33/03/554073303.db2.gz LJNNDFRQMUQCFD-LBPRGKRZSA-N 1 2 370.409 2.378 20 30 FEEDLO C[C@@H](C(=O)Nc1ccc2c(c1)OCCCO2)[N@H+]1CCc2n[nH]c(=O)cc2C1 ZINC000330146152 554073307 /nfs/dbraw/zinc/07/33/07/554073307.db2.gz LJNNDFRQMUQCFD-LBPRGKRZSA-N 1 2 370.409 2.378 20 30 FEEDLO CC[C@]1(O)CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000330285516 554099577 /nfs/dbraw/zinc/09/95/77/554099577.db2.gz YZNPRQUYVNUHDA-NUJGCVRESA-N 1 2 353.413 2.471 20 30 FEEDLO CC[C@]1(O)CCN(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000330285516 554099584 /nfs/dbraw/zinc/09/95/84/554099584.db2.gz YZNPRQUYVNUHDA-NUJGCVRESA-N 1 2 353.413 2.471 20 30 FEEDLO CNC(=O)C[NH+]1CCC(NC(=O)c2[nH]c(C)c(C(C)=O)c2C(C)C)CC1 ZINC000330407775 554117943 /nfs/dbraw/zinc/11/79/43/554117943.db2.gz ZXJVLNLFHPFBNC-UHFFFAOYSA-N 1 2 362.474 2.164 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000330429737 554120643 /nfs/dbraw/zinc/12/06/43/554120643.db2.gz VIJJYAOSUIQQOU-OXQOHEQNSA-N 1 2 353.470 2.123 20 30 FEEDLO CSCC[C@](C)(C#N)NS(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000508116149 561752366 /nfs/dbraw/zinc/75/23/66/561752366.db2.gz KNONTPDODADSQE-MRXNPFEDSA-N 1 2 364.496 2.245 20 30 FEEDLO CC(C)c1cc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)nn1C ZINC000331004111 554200187 /nfs/dbraw/zinc/20/01/87/554200187.db2.gz YIQQMMGUMHZGGH-UHFFFAOYSA-N 1 2 351.454 2.373 20 30 FEEDLO CCN1CCN([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C[C@H]1c1[nH]cc[nH+]1 ZINC000331479480 554271843 /nfs/dbraw/zinc/27/18/43/554271843.db2.gz NVTITEPKIGLRHY-BBRMVZONSA-N 1 2 370.457 2.197 20 30 FEEDLO CC[C@@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@@H]1CCCO1 ZINC000331857716 554332802 /nfs/dbraw/zinc/33/28/02/554332802.db2.gz XUEMPBAKZXIWGP-MOPGFXCFSA-N 1 2 356.470 2.343 20 30 FEEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000332058539 554371402 /nfs/dbraw/zinc/37/14/02/554371402.db2.gz OPQCOUMEHSDBKP-QGZVFWFLSA-N 1 2 365.481 2.411 20 30 FEEDLO C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000332070594 554373555 /nfs/dbraw/zinc/37/35/55/554373555.db2.gz VHGODWWDYWATAF-RYRKJORJSA-N 1 2 355.486 2.159 20 30 FEEDLO Cn1cc[nH+]c1[C@@H](NS(=O)(=O)c1ccc(Cl)c(C#N)c1)C1CC1 ZINC000510448673 561834944 /nfs/dbraw/zinc/83/49/44/561834944.db2.gz WXIIYZZUHCGSCT-AWEZNQCLSA-N 1 2 350.831 2.375 20 30 FEEDLO CC(C)Oc1ccc(NC(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)cc1C#N ZINC000332582004 554476710 /nfs/dbraw/zinc/47/67/10/554476710.db2.gz GEBAWGXVWLHYID-SJLPKXTDSA-N 1 2 358.442 2.282 20 30 FEEDLO CC(C)Oc1ccc(NC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)cc1C#N ZINC000332582004 554476713 /nfs/dbraw/zinc/47/67/13/554476713.db2.gz GEBAWGXVWLHYID-SJLPKXTDSA-N 1 2 358.442 2.282 20 30 FEEDLO C[C@H]1C[C@H](NC(=O)N2CCN(c3cccc(F)c3C#N)CC2)c2[nH+]ccn21 ZINC000333190036 554586431 /nfs/dbraw/zinc/58/64/31/554586431.db2.gz NXZRUDHQRYDTLV-BBRMVZONSA-N 1 2 368.416 2.431 20 30 FEEDLO N#CCC1(CS(=O)(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)CC1 ZINC000333668274 554631913 /nfs/dbraw/zinc/63/19/13/554631913.db2.gz IHKDUKZFYHXSCP-OAHLLOKOSA-N 1 2 362.499 2.422 20 30 FEEDLO CCc1ccccc1NC(=O)CN(C)C(=O)[C@H](C)[NH+]1CCC(F)(C#N)CC1 ZINC000510903067 561849871 /nfs/dbraw/zinc/84/98/71/561849871.db2.gz OKEUJRVQKKGESH-HNNXBMFYSA-N 1 2 374.460 2.362 20 30 FEEDLO Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)[NH+]1CCC(F)(C#N)CC1 ZINC000510918987 561850638 /nfs/dbraw/zinc/85/06/38/561850638.db2.gz FZEUYPTZAFRKNH-OAHLLOKOSA-N 1 2 360.433 2.074 20 30 FEEDLO Cc1nc(-c2ccc(C)cc2NC(=O)C[NH+]2CCC(F)(C#N)CC2)n[nH]1 ZINC000510919550 561850816 /nfs/dbraw/zinc/85/08/16/561850816.db2.gz IVCZIKVDRVXFPK-UHFFFAOYSA-N 1 2 356.405 2.355 20 30 FEEDLO CC[N@@H+]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)[C@H](C)C1 ZINC000511272569 561863312 /nfs/dbraw/zinc/86/33/12/561863312.db2.gz QBGCSZJEIAQKIR-LLVKDONJSA-N 1 2 361.389 2.292 20 30 FEEDLO CC[N@H+]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)[C@H](C)C1 ZINC000511272569 561863313 /nfs/dbraw/zinc/86/33/13/561863313.db2.gz QBGCSZJEIAQKIR-LLVKDONJSA-N 1 2 361.389 2.292 20 30 FEEDLO N#Cc1ccc(CN2CC[N@@H+](C[C@@H](O)c3ccc(F)cc3)CC2=O)cc1 ZINC000361049903 554902508 /nfs/dbraw/zinc/90/25/08/554902508.db2.gz SUSMGYIANWWOJT-LJQANCHMSA-N 1 2 353.397 2.075 20 30 FEEDLO N#Cc1ccc(CN2CC[N@H+](C[C@@H](O)c3ccc(F)cc3)CC2=O)cc1 ZINC000361049903 554902509 /nfs/dbraw/zinc/90/25/09/554902509.db2.gz SUSMGYIANWWOJT-LJQANCHMSA-N 1 2 353.397 2.075 20 30 FEEDLO C=C(C)[C@H](CC(=O)N1CCC2(CC1)NC(=O)C1(CCCCC1)[NH2+]2)OCC ZINC000363166411 555044007 /nfs/dbraw/zinc/04/40/07/555044007.db2.gz SIXQSFLBRNRBLN-INIZCTEOSA-N 1 2 363.502 2.099 20 30 FEEDLO CCO[C@@H](C)c1noc(C[N@@H+]2CCCN(c3nccc(C)c3C#N)CC2)n1 ZINC000363670356 555160430 /nfs/dbraw/zinc/16/04/30/555160430.db2.gz JMEMOMULCZGBOQ-HNNXBMFYSA-N 1 2 370.457 2.455 20 30 FEEDLO CCO[C@@H](C)c1noc(C[N@H+]2CCCN(c3nccc(C)c3C#N)CC2)n1 ZINC000363670356 555160432 /nfs/dbraw/zinc/16/04/32/555160432.db2.gz JMEMOMULCZGBOQ-HNNXBMFYSA-N 1 2 370.457 2.455 20 30 FEEDLO C#CCC1(C(=O)N2CCC[N@@H+](CC(=O)N(CC)CC)CC2)CCCCC1 ZINC000364431178 555312746 /nfs/dbraw/zinc/31/27/46/555312746.db2.gz RUGBXLQJYLMNBC-UHFFFAOYSA-N 1 2 361.530 2.363 20 30 FEEDLO C#CCC1(C(=O)N2CCC[N@H+](CC(=O)N(CC)CC)CC2)CCCCC1 ZINC000364431178 555312749 /nfs/dbraw/zinc/31/27/49/555312749.db2.gz RUGBXLQJYLMNBC-UHFFFAOYSA-N 1 2 361.530 2.363 20 30 FEEDLO N#C[C@@H]1CN(C(=O)Cc2cn3ccccc3[nH+]2)CCN1Cc1ccccc1 ZINC000364771138 555398228 /nfs/dbraw/zinc/39/82/28/555398228.db2.gz STEWYTHJCIOXML-LJQANCHMSA-N 1 2 359.433 2.113 20 30 FEEDLO CCCC[C@@H](ON=C(C)C)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000364936198 555443012 /nfs/dbraw/zinc/44/30/12/555443012.db2.gz FPHXSMCVCLHOKZ-QGZVFWFLSA-N 1 2 365.478 2.125 20 30 FEEDLO COCc1nccc([C@H]2CCC[N@H+](CC(=O)NC3(C#N)CCCCC3)C2)n1 ZINC000365297725 555535300 /nfs/dbraw/zinc/53/53/00/555535300.db2.gz ICAYQSPWJYYTGC-INIZCTEOSA-N 1 2 371.485 2.145 20 30 FEEDLO COCc1nccc([C@H]2CCC[N@@H+](CC(=O)NC3(C#N)CCCCC3)C2)n1 ZINC000365297725 555535303 /nfs/dbraw/zinc/53/53/03/555535303.db2.gz ICAYQSPWJYYTGC-INIZCTEOSA-N 1 2 371.485 2.145 20 30 FEEDLO CC(C)[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)CC(=O)N1CCCCCC1 ZINC000513263192 561931388 /nfs/dbraw/zinc/93/13/88/561931388.db2.gz XMJGONFKMVXMJR-LJQANCHMSA-N 1 2 350.507 2.154 20 30 FEEDLO CC(C)[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)CC(=O)N1CCCCCC1 ZINC000513263192 561931389 /nfs/dbraw/zinc/93/13/89/561931389.db2.gz XMJGONFKMVXMJR-LJQANCHMSA-N 1 2 350.507 2.154 20 30 FEEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000366526304 555867677 /nfs/dbraw/zinc/86/76/77/555867677.db2.gz NQWOHMAEDCDUGB-IBGZPJMESA-N 1 2 356.470 2.343 20 30 FEEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000366526304 555867682 /nfs/dbraw/zinc/86/76/82/555867682.db2.gz NQWOHMAEDCDUGB-IBGZPJMESA-N 1 2 356.470 2.343 20 30 FEEDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)CNC(=O)c1ccc(C#N)cc1 ZINC000366606749 555889132 /nfs/dbraw/zinc/88/91/32/555889132.db2.gz HHYOYAHSABLMRE-QGZVFWFLSA-N 1 2 365.437 2.258 20 30 FEEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)N2CCC[C@H]2c2ccc(OC)cc2)C1=O ZINC000366916697 555969035 /nfs/dbraw/zinc/96/90/35/555969035.db2.gz XUHVVFPLMJGWFT-RBUKOAKNSA-N 1 2 371.481 2.077 20 30 FEEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)N2CCC[C@H]2c2ccc(OC)cc2)C1=O ZINC000366916697 555969044 /nfs/dbraw/zinc/96/90/44/555969044.db2.gz XUHVVFPLMJGWFT-RBUKOAKNSA-N 1 2 371.481 2.077 20 30 FEEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)CSCc1ccc(C#N)cc1 ZINC000367635086 556101827 /nfs/dbraw/zinc/10/18/27/556101827.db2.gz NJZSYDSYRCJSJP-MAUKXSAKSA-N 1 2 359.495 2.113 20 30 FEEDLO N#Cc1ccc(N2CCC([NH2+][C@H](c3nnc[nH]3)c3ccccc3)CC2)nc1 ZINC000367994150 556190768 /nfs/dbraw/zinc/19/07/68/556190768.db2.gz QAPMAGSGNOAGRO-IBGZPJMESA-N 1 2 359.437 2.419 20 30 FEEDLO N#CCOc1ccccc1C(=O)NC1CC[NH+](Cc2cscn2)CC1 ZINC000368933969 556452083 /nfs/dbraw/zinc/45/20/83/556452083.db2.gz XASRSUSAMUMLND-UHFFFAOYSA-N 1 2 356.451 2.440 20 30 FEEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H](NC(=O)C3CCC3)C2)cc1Cl ZINC000369065905 556494977 /nfs/dbraw/zinc/49/49/77/556494977.db2.gz PUSTZPJUSLCGJY-OAHLLOKOSA-N 1 2 360.845 2.141 20 30 FEEDLO N#Cc1ccc(NC(=O)C[N@H+]2CC[C@@H](NC(=O)C3CCC3)C2)cc1Cl ZINC000369065905 556494979 /nfs/dbraw/zinc/49/49/79/556494979.db2.gz PUSTZPJUSLCGJY-OAHLLOKOSA-N 1 2 360.845 2.141 20 30 FEEDLO N#Cc1c(NC(=O)C[N@@H+]2CC[C@@]3(CNC(=O)C3)C2)sc2c1CCCCC2 ZINC000369303333 556569282 /nfs/dbraw/zinc/56/92/82/556569282.db2.gz OVKSUQHFTNRKGA-LJQANCHMSA-N 1 2 372.494 2.039 20 30 FEEDLO N#Cc1c(NC(=O)C[N@H+]2CC[C@@]3(CNC(=O)C3)C2)sc2c1CCCCC2 ZINC000369303333 556569283 /nfs/dbraw/zinc/56/92/83/556569283.db2.gz OVKSUQHFTNRKGA-LJQANCHMSA-N 1 2 372.494 2.039 20 30 FEEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(c2nc(N(C)C)no2)CC1 ZINC000369400105 556591402 /nfs/dbraw/zinc/59/14/02/556591402.db2.gz WEEYDVUPSLAMRL-CQSZACIVSA-N 1 2 374.489 2.046 20 30 FEEDLO N#Cc1ccc(SCC(=O)NCC2([NH+]3CCOCC3)CCCC2)cc1 ZINC000369687791 556669255 /nfs/dbraw/zinc/66/92/55/556669255.db2.gz AREXJBYDSOSCKW-UHFFFAOYSA-N 1 2 359.495 2.412 20 30 FEEDLO C=CCc1ccc(OC[C@@H](O)C[NH+]2CC(n3cc(C)cn3)C2)c(OC)c1 ZINC000370893345 557005623 /nfs/dbraw/zinc/00/56/23/557005623.db2.gz UVDQJACFXHSXPD-SFHVURJKSA-N 1 2 357.454 2.225 20 30 FEEDLO Cc1[nH+]c(CNS(=O)(=O)c2c(F)cc(C#N)cc2F)c2n1CCCC2 ZINC000371303246 557137621 /nfs/dbraw/zinc/13/76/21/557137621.db2.gz CPAZXYUGVMWQJA-UHFFFAOYSA-N 1 2 366.393 2.156 20 30 FEEDLO CC[C@@H](C)[C@@H](NC(=O)N(CCC#N)CC[NH+]1CCOCC1)C(F)(F)F ZINC000517494819 562091313 /nfs/dbraw/zinc/09/13/13/562091313.db2.gz LYLADDDJUGADFQ-ZIAGYGMSSA-N 1 2 364.412 2.221 20 30 FEEDLO N#C[C@H]1C[N@@H+](Cc2c[nH]nc2-c2cccnc2)C[C@]12C(=O)Nc1ccccc12 ZINC000371465929 557189941 /nfs/dbraw/zinc/18/99/41/557189941.db2.gz JNEQBGFMGHDCTG-KKSFZXQISA-N 1 2 370.416 2.317 20 30 FEEDLO N#C[C@H]1C[N@H+](Cc2c[nH]nc2-c2cccnc2)C[C@]12C(=O)Nc1ccccc12 ZINC000371465929 557189946 /nfs/dbraw/zinc/18/99/46/557189946.db2.gz JNEQBGFMGHDCTG-KKSFZXQISA-N 1 2 370.416 2.317 20 30 FEEDLO CC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000371470704 557190857 /nfs/dbraw/zinc/19/08/57/557190857.db2.gz NUJYTVJXQYGOFG-IERDGZPVSA-N 1 2 360.417 2.490 20 30 FEEDLO CC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000371470704 557190859 /nfs/dbraw/zinc/19/08/59/557190859.db2.gz NUJYTVJXQYGOFG-IERDGZPVSA-N 1 2 360.417 2.490 20 30 FEEDLO C[C@H](Nc1cnn(CC[NH+]2CCOCC2)c1)c1ccc(OCC#N)cc1 ZINC000371485003 557196401 /nfs/dbraw/zinc/19/64/01/557196401.db2.gz JQPGZQPRTKDJLX-INIZCTEOSA-N 1 2 355.442 2.291 20 30 FEEDLO N#C[C@@H]1C[N@@H+](C[C@@H](O)c2cc(F)ccc2F)C[C@@]12C(=O)Nc1ccccc12 ZINC000372229528 557416032 /nfs/dbraw/zinc/41/60/32/557416032.db2.gz WLEULBIDCCLPDV-ZQBYOIRZSA-N 1 2 369.371 2.344 20 30 FEEDLO N#C[C@@H]1C[N@H+](C[C@@H](O)c2cc(F)ccc2F)C[C@@]12C(=O)Nc1ccccc12 ZINC000372229528 557416034 /nfs/dbraw/zinc/41/60/34/557416034.db2.gz WLEULBIDCCLPDV-ZQBYOIRZSA-N 1 2 369.371 2.344 20 30 FEEDLO COc1cc(C#N)ccc1S(=O)(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C ZINC000519081631 562124547 /nfs/dbraw/zinc/12/45/47/562124547.db2.gz NHHIPANMSVPJHI-HNNXBMFYSA-N 1 2 360.439 2.072 20 30 FEEDLO O=C(NCC#Cc1cccc(C(F)(F)F)c1)C1([NH+]2CCOCC2)CCC1 ZINC000373155460 557640253 /nfs/dbraw/zinc/64/02/53/557640253.db2.gz XBUYUJVXLMALIC-UHFFFAOYSA-N 1 2 366.383 2.428 20 30 FEEDLO C[C@H]1C[N@H+](CC(=O)N(CCC#N)c2ccccc2)C[C@@]2(CCCOC2)O1 ZINC000373813493 557764710 /nfs/dbraw/zinc/76/47/10/557764710.db2.gz UHHKYGAXBQNLHX-FXAWDEMLSA-N 1 2 357.454 2.203 20 30 FEEDLO C[C@H]1C[N@@H+](CC(=O)N(CCC#N)c2ccccc2)C[C@@]2(CCCOC2)O1 ZINC000373813493 557764712 /nfs/dbraw/zinc/76/47/12/557764712.db2.gz UHHKYGAXBQNLHX-FXAWDEMLSA-N 1 2 357.454 2.203 20 30 FEEDLO C=CC[N@H+](Cc1nnc(C2CC2)n1C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000520939363 562166181 /nfs/dbraw/zinc/16/61/81/562166181.db2.gz SZHFDIDQKDEGDK-AWEZNQCLSA-N 1 2 364.457 2.417 20 30 FEEDLO C=CC[N@@H+](Cc1nnc(C2CC2)n1C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000520939363 562166182 /nfs/dbraw/zinc/16/61/82/562166182.db2.gz SZHFDIDQKDEGDK-AWEZNQCLSA-N 1 2 364.457 2.417 20 30 FEEDLO COc1cc(C#N)ccc1OCC(=O)N1CC[NH2+][C@@H](c2cccc(F)c2)C1 ZINC000374383842 557876020 /nfs/dbraw/zinc/87/60/20/557876020.db2.gz GOAAQHSEFMLCON-QGZVFWFLSA-N 1 2 369.396 2.258 20 30 FEEDLO Cn1cc[nH+]c1-c1cccc(CNS(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000374527485 557895134 /nfs/dbraw/zinc/89/51/34/557895134.db2.gz QKLRAGJDYDDAEF-UHFFFAOYSA-N 1 2 352.419 2.437 20 30 FEEDLO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)NCc1ccc(C#N)cc1 ZINC000374698777 557918367 /nfs/dbraw/zinc/91/83/67/557918367.db2.gz DPJCTSPFLIDZDT-MOPGFXCFSA-N 1 2 361.449 2.228 20 30 FEEDLO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)NCc1ccc(C#N)cc1 ZINC000374698777 557918368 /nfs/dbraw/zinc/91/83/68/557918368.db2.gz DPJCTSPFLIDZDT-MOPGFXCFSA-N 1 2 361.449 2.228 20 30 FEEDLO O=S(=O)(C1CC1)N1CCC[N@@H+](CC#Cc2cccc(Cl)c2)CC1 ZINC000374825332 557936867 /nfs/dbraw/zinc/93/68/67/557936867.db2.gz OVMPRTIROYNTSN-UHFFFAOYSA-N 1 2 352.887 2.191 20 30 FEEDLO O=S(=O)(C1CC1)N1CCC[N@H+](CC#Cc2cccc(Cl)c2)CC1 ZINC000374825332 557936868 /nfs/dbraw/zinc/93/68/68/557936868.db2.gz OVMPRTIROYNTSN-UHFFFAOYSA-N 1 2 352.887 2.191 20 30 FEEDLO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)C1=O ZINC000374880531 557945097 /nfs/dbraw/zinc/94/50/97/557945097.db2.gz VJERNYUNTCKJAP-APWZRJJASA-N 1 2 371.437 2.458 20 30 FEEDLO N#Cc1ccsc1N1CC[C@@H]([N@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)C1=O ZINC000374880531 557945099 /nfs/dbraw/zinc/94/50/99/557945099.db2.gz VJERNYUNTCKJAP-APWZRJJASA-N 1 2 371.437 2.458 20 30 FEEDLO Cc1c[nH+]ccc1N1CCC(C(=O)N=c2[nH][nH]c(C3CC3)c2C#N)CC1 ZINC000377091396 558264274 /nfs/dbraw/zinc/26/42/74/558264274.db2.gz KQWZYQASZNNBHV-UHFFFAOYSA-N 1 2 350.426 2.717 20 30 FEEDLO N#Cc1cccnc1N1CCC[N@H+](Cc2ncc(C3OCCO3)s2)CC1 ZINC000377704457 558401182 /nfs/dbraw/zinc/40/11/82/558401182.db2.gz SAKCPNXCSSLATF-UHFFFAOYSA-N 1 2 371.466 2.167 20 30 FEEDLO N#Cc1cccnc1N1CCC[N@@H+](Cc2ncc(C3OCCO3)s2)CC1 ZINC000377704457 558401183 /nfs/dbraw/zinc/40/11/83/558401183.db2.gz SAKCPNXCSSLATF-UHFFFAOYSA-N 1 2 371.466 2.167 20 30 FEEDLO Cc1n[nH]c(C)c1[C@H]1COCC[N@@H+]1CCC(=O)Nc1ccccc1C#N ZINC000378340553 558533882 /nfs/dbraw/zinc/53/38/82/558533882.db2.gz QKTZXHKSQFTDGK-QGZVFWFLSA-N 1 2 353.426 2.300 20 30 FEEDLO Cc1n[nH]c(C)c1[C@H]1COCC[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000378340553 558533884 /nfs/dbraw/zinc/53/38/84/558533884.db2.gz QKTZXHKSQFTDGK-QGZVFWFLSA-N 1 2 353.426 2.300 20 30 FEEDLO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(C#N)cc1F)c1ccsc1 ZINC000523563028 562215393 /nfs/dbraw/zinc/21/53/93/562215393.db2.gz IHDXMWCCKFZZEH-AWEZNQCLSA-N 1 2 353.444 2.340 20 30 FEEDLO C[C@H](C(=O)N1CCC(C)CC1)[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000407968001 558634103 /nfs/dbraw/zinc/63/41/03/558634103.db2.gz DXZSPVFAJDMTSF-MRXNPFEDSA-N 1 2 358.461 2.466 20 30 FEEDLO CCN(C[C@H](C)C#N)S(=O)(=O)NCCC[N@H+](CC)c1ccccc1 ZINC000409573247 558704001 /nfs/dbraw/zinc/70/40/01/558704001.db2.gz FNZVUCPMCZAIRW-MRXNPFEDSA-N 1 2 352.504 2.219 20 30 FEEDLO CCN(C[C@H](C)C#N)S(=O)(=O)NCCC[N@@H+](CC)c1ccccc1 ZINC000409573247 558704004 /nfs/dbraw/zinc/70/40/04/558704004.db2.gz FNZVUCPMCZAIRW-MRXNPFEDSA-N 1 2 352.504 2.219 20 30 FEEDLO C=CC[N@@H+](Cc1nnc(CC)n1C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000524959006 562238571 /nfs/dbraw/zinc/23/85/71/562238571.db2.gz HETGZYRNKMFDCA-CQSZACIVSA-N 1 2 352.446 2.102 20 30 FEEDLO C=CC[N@H+](Cc1nnc(CC)n1C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000524959006 562238572 /nfs/dbraw/zinc/23/85/72/562238572.db2.gz HETGZYRNKMFDCA-CQSZACIVSA-N 1 2 352.446 2.102 20 30 FEEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2C[C@@H](O)C[C@H]2c2ccccc2)c1 ZINC000411956005 558994613 /nfs/dbraw/zinc/99/46/13/558994613.db2.gz VUTBSTRFNHFPEX-HKUYNNGSSA-N 1 2 356.447 2.140 20 30 FEEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2C[C@@H](O)C[C@H]2c2ccccc2)c1 ZINC000411956005 558994614 /nfs/dbraw/zinc/99/46/14/558994614.db2.gz VUTBSTRFNHFPEX-HKUYNNGSSA-N 1 2 356.447 2.140 20 30 FEEDLO COc1ccccc1/C=C\C[NH+]1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC000526074216 562266047 /nfs/dbraw/zinc/26/60/47/562266047.db2.gz NXJVPGYYGFTJPV-VURMDHGXSA-N 1 2 351.454 2.444 20 30 FEEDLO CC[C@H](OC1CCCCC1)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000413282381 559095307 /nfs/dbraw/zinc/09/53/07/559095307.db2.gz PLSVOYKSBOFJOH-SFHVURJKSA-N 1 2 351.491 2.189 20 30 FEEDLO COC1([C@@H](C)NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCC1 ZINC000413801714 559131459 /nfs/dbraw/zinc/13/14/59/559131459.db2.gz SRYDCPVHRUWZRF-MRXNPFEDSA-N 1 2 356.470 2.343 20 30 FEEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000413823627 559132789 /nfs/dbraw/zinc/13/27/89/559132789.db2.gz MVOCLHPLRSADMB-SFHVURJKSA-N 1 2 353.470 2.424 20 30 FEEDLO Cc1ccc(I)c(OC[C@@H](O)C[N@H+](C)CCC#N)c1 ZINC000414158662 559151081 /nfs/dbraw/zinc/15/10/81/559151081.db2.gz ZKGCYEMRTLAMAC-LBPRGKRZSA-N 1 2 374.222 2.185 20 30 FEEDLO Cc1ccc(I)c(OC[C@@H](O)C[N@@H+](C)CCC#N)c1 ZINC000414158662 559151082 /nfs/dbraw/zinc/15/10/82/559151082.db2.gz ZKGCYEMRTLAMAC-LBPRGKRZSA-N 1 2 374.222 2.185 20 30 FEEDLO Cc1ccc(C[NH+]2CCN(c3oc(-c4ccco4)nc3C#N)CC2)nn1 ZINC000414367254 559158892 /nfs/dbraw/zinc/15/88/92/559158892.db2.gz DJRYFXZZCQAUHQ-UHFFFAOYSA-N 1 2 350.382 2.227 20 30 FEEDLO CN(C)C(=O)c1ccccc1C[N@@H+]1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000417788884 559376529 /nfs/dbraw/zinc/37/65/29/559376529.db2.gz GFJFLMGJLTXPOM-OPAMFIHVSA-N 1 2 374.444 2.234 20 30 FEEDLO CN(C)C(=O)c1ccccc1C[N@H+]1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000417788884 559376530 /nfs/dbraw/zinc/37/65/30/559376530.db2.gz GFJFLMGJLTXPOM-OPAMFIHVSA-N 1 2 374.444 2.234 20 30 FEEDLO COC1(C(F)(F)F)CC[NH+](CC(=O)NCc2cccc(C#N)c2)CC1 ZINC000419338199 559438121 /nfs/dbraw/zinc/43/81/21/559438121.db2.gz WRZATSYOCSDHHK-UHFFFAOYSA-N 1 2 355.360 2.218 20 30 FEEDLO C=CCC[C@H]1NC(=O)N(Cc2ccccc2C[NH+]2CCN(CC)CC2)C1=O ZINC000419921762 559464630 /nfs/dbraw/zinc/46/46/30/559464630.db2.gz IPSKAFCNJMHTCD-LJQANCHMSA-N 1 2 370.497 2.211 20 30 FEEDLO C=CCC[C@@H]1NC(=O)N(C[C@H](c2cccc(C)c2)[NH+]2CCOCC2)C1=O ZINC000419922349 559464797 /nfs/dbraw/zinc/46/47/97/559464797.db2.gz JZWFJSXIKVTSLO-ZWKOTPCHSA-N 1 2 357.454 2.255 20 30 FEEDLO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000422535733 559593567 /nfs/dbraw/zinc/59/35/67/559593567.db2.gz CEVBKFYZKSXRMU-GOSISDBHSA-N 1 2 366.465 2.419 20 30 FEEDLO C=CCn1cc(CNC(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)nn1 ZINC000424909758 559679718 /nfs/dbraw/zinc/67/97/18/559679718.db2.gz VYUFVNXWCOPRPH-GOSISDBHSA-N 1 2 357.433 2.274 20 30 FEEDLO C=CCn1cc(CNC(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)nn1 ZINC000424909758 559679719 /nfs/dbraw/zinc/67/97/19/559679719.db2.gz VYUFVNXWCOPRPH-GOSISDBHSA-N 1 2 357.433 2.274 20 30 FEEDLO CCN(CC)S(=O)(=O)c1ccc(CNc2cc(C)[nH+]cc2C#N)s1 ZINC000425205770 559691197 /nfs/dbraw/zinc/69/11/97/559691197.db2.gz ISEGWLJRFWRPSJ-UHFFFAOYSA-N 1 2 364.496 2.388 20 30 FEEDLO N#Cc1cccc([N+](=O)[O-])c1N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000425206849 559691265 /nfs/dbraw/zinc/69/12/65/559691265.db2.gz KQZYLOYWVMWGBA-UHFFFAOYSA-N 1 2 362.393 2.436 20 30 FEEDLO Cc1cc(N2CC[NH+](CC(=O)N(C)C3CCCCC3)CC2)c(C#N)cn1 ZINC000425220715 559691989 /nfs/dbraw/zinc/69/19/89/559691989.db2.gz FGTXBXXQZIGFCD-UHFFFAOYSA-N 1 2 355.486 2.175 20 30 FEEDLO COC(=O)c1cnc([C@H](C)[NH2+][C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)s1 ZINC000425481182 559704673 /nfs/dbraw/zinc/70/46/73/559704673.db2.gz FUKWJJGZCPIWRZ-MMPTUQATSA-N 1 2 352.460 2.023 20 30 FEEDLO CS(=O)(=O)NC[C@H]1CCCC[N@@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000426379028 559733714 /nfs/dbraw/zinc/73/37/14/559733714.db2.gz IEFNQBHWKZRULK-MRXNPFEDSA-N 1 2 374.428 2.461 20 30 FEEDLO CS(=O)(=O)NC[C@H]1CCCC[N@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000426379028 559733715 /nfs/dbraw/zinc/73/37/15/559733715.db2.gz IEFNQBHWKZRULK-MRXNPFEDSA-N 1 2 374.428 2.461 20 30 FEEDLO C=CC[C@H](CO)NC(=O)C(=O)Nc1ccc(Oc2cc[nH+]cc2)c(C)c1 ZINC000427292726 559752506 /nfs/dbraw/zinc/75/25/06/559752506.db2.gz TWILWJNWVWPLGN-OAHLLOKOSA-N 1 2 355.394 2.174 20 30 FEEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](CC(=O)NCc3cccc(Cl)c3)C2)nc1 ZINC000428812536 559783821 /nfs/dbraw/zinc/78/38/21/559783821.db2.gz NBSFZEYMEFYNGH-KRWDZBQOSA-N 1 2 370.840 2.376 20 30 FEEDLO N#Cc1ccc(O[C@H]2CC[N@H+](CC(=O)NCc3cccc(Cl)c3)C2)nc1 ZINC000428812536 559783822 /nfs/dbraw/zinc/78/38/22/559783822.db2.gz NBSFZEYMEFYNGH-KRWDZBQOSA-N 1 2 370.840 2.376 20 30 FEEDLO COc1cccc(OCC[NH+]2CCN(C(=O)NCC3(CC#N)CC3)CC2)c1 ZINC000431117031 559834485 /nfs/dbraw/zinc/83/44/85/559834485.db2.gz GCBSWIWRIMHYRA-UHFFFAOYSA-N 1 2 372.469 2.095 20 30 FEEDLO CN([C@@H](c1[nH]cc[nH+]1)c1ccccc1)S(=O)(=O)c1cccnc1C#N ZINC000432255842 559854953 /nfs/dbraw/zinc/85/49/53/559854953.db2.gz AEBOIUZTTMZFMV-MRXNPFEDSA-N 1 2 353.407 2.086 20 30 FEEDLO N#C[C@@H](CCc1ccccc1)C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000433227972 559874318 /nfs/dbraw/zinc/87/43/18/559874318.db2.gz UURJJCKUHLTEQU-GOSISDBHSA-N 1 2 364.449 2.307 20 30 FEEDLO N#CCCCCS(=O)(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000433452549 559881739 /nfs/dbraw/zinc/88/17/39/559881739.db2.gz WCLOLJHNVKJOPO-UHFFFAOYSA-N 1 2 350.488 2.422 20 30 FEEDLO CC[C@@H](C)c1ncc(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)cn1 ZINC000434528726 559902008 /nfs/dbraw/zinc/90/20/08/559902008.db2.gz HCXCOPABKNVHBD-OAHLLOKOSA-N 1 2 360.462 2.070 20 30 FEEDLO CCN(C[C@@H](C)C#N)C(=O)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000437418333 559964405 /nfs/dbraw/zinc/96/44/05/559964405.db2.gz GJXDQDOBTJUCHQ-HOTGVXAUSA-N 1 2 372.469 2.026 20 30 FEEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)NCCc1cccc(C#N)c1 ZINC000439450367 559994035 /nfs/dbraw/zinc/99/40/35/559994035.db2.gz JNICZFZDBACSTM-UHFFFAOYSA-N 1 2 365.437 2.463 20 30 FEEDLO N#Cc1cccc(-c2nnc(C[N@H+]3CCC[C@H]3[C@@H](O)C(F)(F)F)o2)c1 ZINC000441316731 560028529 /nfs/dbraw/zinc/02/85/29/560028529.db2.gz UTYFXVCZGITRCL-GXTWGEPZSA-N 1 2 352.316 2.496 20 30 FEEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3CCC[C@H]3[C@@H](O)C(F)(F)F)o2)c1 ZINC000441316731 560028530 /nfs/dbraw/zinc/02/85/30/560028530.db2.gz UTYFXVCZGITRCL-GXTWGEPZSA-N 1 2 352.316 2.496 20 30 FEEDLO CCOc1ccccc1C[N@@H+]1CCN(S(=O)(=O)CCCC#N)[C@@H](C)C1 ZINC000443087276 560070024 /nfs/dbraw/zinc/07/00/24/560070024.db2.gz QWCRZJXDDNHOMV-INIZCTEOSA-N 1 2 365.499 2.225 20 30 FEEDLO CCOc1ccccc1C[N@H+]1CCN(S(=O)(=O)CCCC#N)[C@@H](C)C1 ZINC000443087276 560070025 /nfs/dbraw/zinc/07/00/25/560070025.db2.gz QWCRZJXDDNHOMV-INIZCTEOSA-N 1 2 365.499 2.225 20 30 FEEDLO N#Cc1nc(NCc2ccc[nH+]c2N2CCOCC2)ccc1C(F)(F)F ZINC000443510476 560085836 /nfs/dbraw/zinc/08/58/36/560085836.db2.gz NUXKEWXGTMXWJO-UHFFFAOYSA-N 1 2 363.343 2.816 20 30 FEEDLO Cc1cc(S(=O)(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)ccc1C#N ZINC000446760576 560151278 /nfs/dbraw/zinc/15/12/78/560151278.db2.gz UZPIXWPPZBQSHL-UHFFFAOYSA-N 1 2 371.462 2.500 20 30 FEEDLO COc1ccc(C[NH+]2CCN(CC#N)CC2)c(OCc2cccnc2)c1 ZINC000447741310 560168319 /nfs/dbraw/zinc/16/83/19/560168319.db2.gz MRZCWKLSTUMDJM-UHFFFAOYSA-N 1 2 352.438 2.310 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC1(c2noc(C[NH+](CC)CC)n2)CCCC1 ZINC000448793687 560199701 /nfs/dbraw/zinc/19/97/01/560199701.db2.gz HQEROEZFAHZWSI-CABCVRRESA-N 1 2 362.474 2.388 20 30 FEEDLO CC[NH+](CC)Cc1nc(C2(NC(=O)c3ccc(C#N)n3C)CCCC2)no1 ZINC000448798314 560200051 /nfs/dbraw/zinc/20/00/51/560200051.db2.gz SILVEWZBNWWQJU-UHFFFAOYSA-N 1 2 370.457 2.321 20 30 FEEDLO Cc1c(C#N)c(N2CC[NH+]([C@@H](C)C(=O)NC3CC3)CC2)nc2ccccc12 ZINC000450227921 560254804 /nfs/dbraw/zinc/25/48/04/560254804.db2.gz ADSBERXRKLMSKR-HNNXBMFYSA-N 1 2 363.465 2.204 20 30 FEEDLO Cc1cc(C#N)cc(NC(=O)C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000453659948 560394237 /nfs/dbraw/zinc/39/42/37/560394237.db2.gz DYUBCMDNVBJZGB-RHSMWYFYSA-N 1 2 351.410 2.111 20 30 FEEDLO CCOc1ccc(C#N)cc1NC(=O)C(=O)NCc1c[nH+]c(C)cc1C ZINC000454034553 560423587 /nfs/dbraw/zinc/42/35/87/560423587.db2.gz QTKYABPBMDKVPK-UHFFFAOYSA-N 1 2 352.394 2.224 20 30 FEEDLO C=CCC1(CNC(=O)N2CC[NH+](CC(=O)N3CCCC3)CC2)CCCC1 ZINC000455474187 560483868 /nfs/dbraw/zinc/48/38/68/560483868.db2.gz GNOFNTWFDIFPDH-UHFFFAOYSA-N 1 2 362.518 2.073 20 30 FEEDLO Cc1cc(C#N)cc(NC(=O)NCc2ccc(N3CCOCC3)[nH+]c2)c1 ZINC000456006352 560504152 /nfs/dbraw/zinc/50/41/52/560504152.db2.gz QGLBFOKSGORLEK-UHFFFAOYSA-N 1 2 351.410 2.420 20 30 FEEDLO C=CCC[C@H](NC(=O)[C@H](C(C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)OCC ZINC000456636749 560526675 /nfs/dbraw/zinc/52/66/75/560526675.db2.gz YHMYBIXNPZTDBJ-YVSFHVDLSA-N 1 2 354.491 2.134 20 30 FEEDLO C=CCC[C@H](NC(=O)[C@H](C(C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)OCC ZINC000456636749 560526676 /nfs/dbraw/zinc/52/66/76/560526676.db2.gz YHMYBIXNPZTDBJ-YVSFHVDLSA-N 1 2 354.491 2.134 20 30 FEEDLO COC(=O)COc1ccc(C[NH+]2CC(Oc3ccc(C#N)cc3)C2)cc1 ZINC000459603928 560697316 /nfs/dbraw/zinc/69/73/16/560697316.db2.gz BERVQXKQSKTECK-UHFFFAOYSA-N 1 2 352.390 2.373 20 30 FEEDLO C=CCN(Cc1ccccc1)C(=O)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000459994270 560727370 /nfs/dbraw/zinc/72/73/70/560727370.db2.gz LNUKXGQSPMQEAQ-UHFFFAOYSA-N 1 2 352.438 2.331 20 30 FEEDLO C=CCN(Cc1ccccc1)C(=O)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000459994270 560727371 /nfs/dbraw/zinc/72/73/71/560727371.db2.gz LNUKXGQSPMQEAQ-UHFFFAOYSA-N 1 2 352.438 2.331 20 30 FEEDLO CC(C)(C)CN1CCC[C@H]([NH+]2CCN(c3ncccc3C#N)CC2)C1=O ZINC000460667834 560748801 /nfs/dbraw/zinc/74/88/01/560748801.db2.gz GYLMCZCEVCAXEV-KRWDZBQOSA-N 1 2 355.486 2.112 20 30 FEEDLO N#Cc1cccnc1-n1cc(NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cn1 ZINC000462075452 560795238 /nfs/dbraw/zinc/79/52/38/560795238.db2.gz LFNPJXYZQBVIEO-AWEZNQCLSA-N 1 2 362.397 2.274 20 30 FEEDLO N#Cc1cccc(-n2ccc(C(=O)N3CC[NH+](Cc4ccncc4)CC3)n2)c1 ZINC000466980050 560900872 /nfs/dbraw/zinc/90/08/72/560900872.db2.gz WOXXZFKXTVNYAV-UHFFFAOYSA-N 1 2 372.432 2.097 20 30 FEEDLO C=CCn1nnnc1S[C@H](C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000468114409 560922810 /nfs/dbraw/zinc/92/28/10/560922810.db2.gz XNUBFFKAJOWEBW-LLVKDONJSA-N 1 2 355.427 2.369 20 30 FEEDLO CCCC[N@H+](CC(N)=O)CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC000470367089 560979607 /nfs/dbraw/zinc/97/96/07/560979607.db2.gz LBOVEGMLXRLFGJ-UHFFFAOYSA-N 1 2 364.877 2.483 20 30 FEEDLO CCCC[N@@H+](CC(N)=O)CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC000470367089 560979608 /nfs/dbraw/zinc/97/96/08/560979608.db2.gz LBOVEGMLXRLFGJ-UHFFFAOYSA-N 1 2 364.877 2.483 20 30 FEEDLO COC(=O)C[C@H]1CSCC[N@@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000471193384 560999985 /nfs/dbraw/zinc/99/99/85/560999985.db2.gz GLWOKDKUUAGXKF-AWEZNQCLSA-N 1 2 358.423 2.089 20 30 FEEDLO COC(=O)C[C@H]1CSCC[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000471193384 560999986 /nfs/dbraw/zinc/99/99/86/560999986.db2.gz GLWOKDKUUAGXKF-AWEZNQCLSA-N 1 2 358.423 2.089 20 30 FEEDLO N#Cc1cccc(CN2C(=O)CC[C@@H]2C(=O)NCc2cn3ccccc3[nH+]2)c1 ZINC000473384825 561049118 /nfs/dbraw/zinc/04/91/18/561049118.db2.gz CTDFFUCENJZAGE-GOSISDBHSA-N 1 2 373.416 2.013 20 30 FEEDLO C=CCCC1(C(=O)N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)CC1 ZINC000476063662 561110603 /nfs/dbraw/zinc/11/06/03/561110603.db2.gz MUQOCVNUARLTSQ-SFHVURJKSA-N 1 2 358.482 2.317 20 30 FEEDLO COCCC1CC[NH+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC1 ZINC000528576579 562337081 /nfs/dbraw/zinc/33/70/81/562337081.db2.gz BFBXWDXZYSIIME-UHFFFAOYSA-N 1 2 367.453 2.431 20 30 FEEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O ZINC000530342818 562407629 /nfs/dbraw/zinc/40/76/29/562407629.db2.gz KKDBCMKVORENMQ-AZKPJATDSA-N 1 2 372.494 2.021 20 30 FEEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O ZINC000530342818 562407630 /nfs/dbraw/zinc/40/76/30/562407630.db2.gz KKDBCMKVORENMQ-AZKPJATDSA-N 1 2 372.494 2.021 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000532727462 562486989 /nfs/dbraw/zinc/48/69/89/562486989.db2.gz YBQMURKZTPVFKT-SLYNCCJLSA-N 1 2 367.497 2.312 20 30 FEEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC000532970544 562494281 /nfs/dbraw/zinc/49/42/81/562494281.db2.gz PUOXDVDPSMNYRQ-CABCVRRESA-N 1 2 370.540 2.018 20 30 FEEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC000532970544 562494282 /nfs/dbraw/zinc/49/42/82/562494282.db2.gz PUOXDVDPSMNYRQ-CABCVRRESA-N 1 2 370.540 2.018 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000541691614 562617861 /nfs/dbraw/zinc/61/78/61/562617861.db2.gz UMBSQZSKXHEJML-YZVOILCLSA-N 1 2 354.458 2.361 20 30 FEEDLO N#C[C@H](c1ccccc1)N1CCN(Cc2cc3c(c[nH+]2)OCCO3)CC1 ZINC000602425914 567979084 /nfs/dbraw/zinc/97/90/84/567979084.db2.gz YHOBOFVHGRKDLY-GOSISDBHSA-N 1 2 350.422 2.235 20 30 FEEDLO COc1ccc([C@@H](NC(=O)C[N@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)C2CC2)cc1 ZINC000602859410 568003205 /nfs/dbraw/zinc/00/32/05/568003205.db2.gz YDNDBBODBHLWIT-MRUHUIDDSA-N 1 2 370.497 2.181 20 30 FEEDLO COc1ccc([C@@H](NC(=O)C[N@@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)C2CC2)cc1 ZINC000602859410 568003206 /nfs/dbraw/zinc/00/32/06/568003206.db2.gz YDNDBBODBHLWIT-MRUHUIDDSA-N 1 2 370.497 2.181 20 30 FEEDLO CC[N@H+](Cc1cnc2c(C#N)cnn2c1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000568631966 568101037 /nfs/dbraw/zinc/10/10/37/568101037.db2.gz DRTWCZCCTLEWRN-GOSISDBHSA-N 1 2 360.421 2.228 20 30 FEEDLO CC[N@@H+](Cc1cnc2c(C#N)cnn2c1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000568631966 568101038 /nfs/dbraw/zinc/10/10/38/568101038.db2.gz DRTWCZCCTLEWRN-GOSISDBHSA-N 1 2 360.421 2.228 20 30 FEEDLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)c2cccc(CC#N)c2)CC1 ZINC000603738091 568153217 /nfs/dbraw/zinc/15/32/17/568153217.db2.gz PZYUNAUNMBKSQO-UHFFFAOYSA-N 1 2 362.433 2.393 20 30 FEEDLO C=C(CNC(=O)NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1)c1ccccc1 ZINC000637147325 568451240 /nfs/dbraw/zinc/45/12/40/568451240.db2.gz JVZLBJLBDFKBHK-HXUWFJFHSA-N 1 2 366.465 2.295 20 30 FEEDLO C=C(CNC(=O)NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1)c1ccccc1 ZINC000637147325 568451242 /nfs/dbraw/zinc/45/12/42/568451242.db2.gz JVZLBJLBDFKBHK-HXUWFJFHSA-N 1 2 366.465 2.295 20 30 FEEDLO Cc1nsc(N2CCN(c3nc(N)c4ccccc4[nH+]3)CC2)c1C#N ZINC000558599487 674506011 /nfs/dbraw/zinc/50/60/11/674506011.db2.gz RHHSZSOLNJXUDR-UHFFFAOYSA-N 1 2 351.439 2.175 20 30 FEEDLO C#C[C@H](NC(=O)NCC[N@@H+]1CCO[C@H](C)C1)c1ccc(Cl)cc1F ZINC000812021746 674647472 /nfs/dbraw/zinc/64/74/72/674647472.db2.gz ZKNJAMAJHMDXFG-WBMJQRKESA-N 1 2 353.825 2.173 20 30 FEEDLO C#C[C@H](NC(=O)NCC[N@H+]1CCO[C@H](C)C1)c1ccc(Cl)cc1F ZINC000812021746 674647474 /nfs/dbraw/zinc/64/74/74/674647474.db2.gz ZKNJAMAJHMDXFG-WBMJQRKESA-N 1 2 353.825 2.173 20 30 FEEDLO COc1ccc(C(N)=[NH+]OCC(=O)NCCc2ccc(Cl)cc2)cc1 ZINC000071965269 670495097 /nfs/dbraw/zinc/49/50/97/670495097.db2.gz RJBIJOSNZKTRPG-UHFFFAOYSA-N 1 2 361.829 2.344 20 30 FEEDLO N#CCc1ccc(S(=O)(=O)NCCCCn2cc[nH+]c2)c(Cl)c1 ZINC000573060082 671076299 /nfs/dbraw/zinc/07/62/99/671076299.db2.gz MDDWIMNCFRAWKF-UHFFFAOYSA-N 1 2 352.847 2.361 20 30 FEEDLO C[NH+](C)[C@@H]1CCOc2c(NS(=O)(=O)c3ccc(C#N)nc3)cccc21 ZINC000574953851 671288398 /nfs/dbraw/zinc/28/83/98/671288398.db2.gz BQIMFEJAYJOHPG-MRXNPFEDSA-N 1 2 358.423 2.139 20 30 FEEDLO C=CCn1cc(CNC(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)nn1 ZINC000577368822 671591329 /nfs/dbraw/zinc/59/13/29/671591329.db2.gz XDSILUZYDWSSMV-AWEZNQCLSA-N 1 2 360.487 2.114 20 30 FEEDLO N#Cc1ccc(NC(=O)CC[N@@H+]2CCO[C@@H](C(=O)C3CC3)C2)cc1Cl ZINC000580819618 671837147 /nfs/dbraw/zinc/83/71/47/671837147.db2.gz BQXISGXRAUPLMY-MRXNPFEDSA-N 1 2 361.829 2.220 20 30 FEEDLO N#Cc1ccc(NC(=O)CC[N@H+]2CCO[C@@H](C(=O)C3CC3)C2)cc1Cl ZINC000580819618 671837150 /nfs/dbraw/zinc/83/71/50/671837150.db2.gz BQXISGXRAUPLMY-MRXNPFEDSA-N 1 2 361.829 2.220 20 30 FEEDLO C#CCCCCNC(=O)c1ccc(S(=O)(=O)Nc2cc[nH+]cc2)cc1 ZINC000156351396 672245126 /nfs/dbraw/zinc/24/51/26/672245126.db2.gz LASJLSHGMRDJGO-UHFFFAOYSA-N 1 2 357.435 2.416 20 30 FEEDLO C[C@@H]1CC[N@H+](CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C[C@@H]1F ZINC000611502219 676041103 /nfs/dbraw/zinc/04/11/03/676041103.db2.gz PLXAWBMZOCKBHG-OWCLPIDISA-N 1 2 364.490 2.137 20 30 FEEDLO C[C@@H]1CC[N@@H+](CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C[C@@H]1F ZINC000611502219 676041105 /nfs/dbraw/zinc/04/11/05/676041105.db2.gz PLXAWBMZOCKBHG-OWCLPIDISA-N 1 2 364.490 2.137 20 30 FEEDLO N#CC[C@]1(O)CCN(C(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)C1 ZINC000592026541 672735993 /nfs/dbraw/zinc/73/59/93/672735993.db2.gz AXXIJIMYSNELIQ-KRWDZBQOSA-N 1 2 359.817 2.086 20 30 FEEDLO C[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592144670 672763730 /nfs/dbraw/zinc/76/37/30/672763730.db2.gz HRNJWLUUFRELLM-IAQYHMDHSA-N 1 2 357.332 2.263 20 30 FEEDLO C[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592144670 672763731 /nfs/dbraw/zinc/76/37/31/672763731.db2.gz HRNJWLUUFRELLM-IAQYHMDHSA-N 1 2 357.332 2.263 20 30 FEEDLO N#CC[C@]1(O)CC[N@H+](Cc2cc3c(cc2Br)OCCO3)C1 ZINC000592147208 672763977 /nfs/dbraw/zinc/76/39/77/672763977.db2.gz JNKWUYINFNWNJW-HNNXBMFYSA-N 1 2 353.216 2.071 20 30 FEEDLO N#CC[C@]1(O)CC[N@@H+](Cc2cc3c(cc2Br)OCCO3)C1 ZINC000592147208 672763982 /nfs/dbraw/zinc/76/39/82/672763982.db2.gz JNKWUYINFNWNJW-HNNXBMFYSA-N 1 2 353.216 2.071 20 30 FEEDLO COCCOCC[NH+]1CCN(C(=O)Nc2ccc(C#N)cc2Cl)CC1 ZINC000593171433 672886561 /nfs/dbraw/zinc/88/65/61/672886561.db2.gz GYDAFLMAPLBJJV-UHFFFAOYSA-N 1 2 366.849 2.024 20 30 FEEDLO Cc1nc([C@H](C)NC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)cs1 ZINC000329147934 673072855 /nfs/dbraw/zinc/07/28/55/673072855.db2.gz BBVWPGNWCGZYOS-LRDDRELGSA-N 1 2 370.544 2.224 20 30 FEEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CCCC[C@H]1C(=O)N1CCCC1 ZINC000329249351 673073856 /nfs/dbraw/zinc/07/38/56/673073856.db2.gz SYLIZRNLEBAYFS-BRWVUGGUSA-N 1 2 351.491 2.092 20 30 FEEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CCCC[C@H]1C(=O)N1CCCC1 ZINC000329249351 673073862 /nfs/dbraw/zinc/07/38/62/673073862.db2.gz SYLIZRNLEBAYFS-BRWVUGGUSA-N 1 2 351.491 2.092 20 30 FEEDLO N#Cc1ccc(N2CC[NH+]([C@@H](CO)c3ccc(Cl)cc3)CC2)nc1N ZINC000594556012 673097128 /nfs/dbraw/zinc/09/71/28/673097128.db2.gz JGGWYOHPKSLFQF-INIZCTEOSA-N 1 2 357.845 2.044 20 30 FEEDLO Cc1ccc(C#N)cc1S(=O)(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000595394060 673241256 /nfs/dbraw/zinc/24/12/56/673241256.db2.gz CENLVNCQHVNOEH-GOSISDBHSA-N 1 2 355.463 2.420 20 30 FEEDLO Cc1ccc(C#N)cc1S(=O)(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000595394060 673241257 /nfs/dbraw/zinc/24/12/57/673241257.db2.gz CENLVNCQHVNOEH-GOSISDBHSA-N 1 2 355.463 2.420 20 30 FEEDLO N#Cc1sccc1N1CC[NH+](C[C@@H](O)COc2ccc(F)cc2)CC1 ZINC000595634057 673276789 /nfs/dbraw/zinc/27/67/89/673276789.db2.gz VLBAOVQYFFPQOF-OAHLLOKOSA-N 1 2 361.442 2.321 20 30 FEEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C)C[C@H]1COCCO1 ZINC000595737059 673287112 /nfs/dbraw/zinc/28/71/12/673287112.db2.gz PWVAZJUOJQESCG-GJZGRUSLSA-N 1 2 363.483 2.367 20 30 FEEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C)C[C@H]1COCCO1 ZINC000595737059 673287113 /nfs/dbraw/zinc/28/71/13/673287113.db2.gz PWVAZJUOJQESCG-GJZGRUSLSA-N 1 2 363.483 2.367 20 30 FEEDLO C[N@@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)C[C@H]1COCCO1 ZINC000595746043 673288627 /nfs/dbraw/zinc/28/86/27/673288627.db2.gz ZVDJPVNMARJBBX-ZDUSSCGKSA-N 1 2 363.483 2.174 20 30 FEEDLO C[N@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)C[C@H]1COCCO1 ZINC000595746043 673288628 /nfs/dbraw/zinc/28/86/28/673288628.db2.gz ZVDJPVNMARJBBX-ZDUSSCGKSA-N 1 2 363.483 2.174 20 30 FEEDLO CN(CCC#N)C[C@H](O)C[N@@H+]1CC[C@H]1c1ccc(Br)cc1 ZINC000596037313 673351547 /nfs/dbraw/zinc/35/15/47/673351547.db2.gz HJSSNMDHWHZHQI-HOTGVXAUSA-N 1 2 352.276 2.402 20 30 FEEDLO CN(CCC#N)C[C@H](O)C[N@H+]1CC[C@H]1c1ccc(Br)cc1 ZINC000596037313 673351549 /nfs/dbraw/zinc/35/15/49/673351549.db2.gz HJSSNMDHWHZHQI-HOTGVXAUSA-N 1 2 352.276 2.402 20 30 FEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000732140125 673354862 /nfs/dbraw/zinc/35/48/62/673354862.db2.gz WHBPGVBQSWZRHC-SJORKVTESA-N 1 2 359.857 2.001 20 30 FEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000732140125 673354865 /nfs/dbraw/zinc/35/48/65/673354865.db2.gz WHBPGVBQSWZRHC-SJORKVTESA-N 1 2 359.857 2.001 20 30 FEEDLO C=CCCSCCNC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000596089728 673357673 /nfs/dbraw/zinc/35/76/73/673357673.db2.gz JFSSSJQRFHFNOE-GOSISDBHSA-N 1 2 363.527 2.496 20 30 FEEDLO C=CCCSCCNC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000596089728 673357677 /nfs/dbraw/zinc/35/76/77/673357677.db2.gz JFSSSJQRFHFNOE-GOSISDBHSA-N 1 2 363.527 2.496 20 30 FEEDLO C[N@H+](CCC(F)(F)F)CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000539451749 673491327 /nfs/dbraw/zinc/49/13/27/673491327.db2.gz VSVBJZLHRPFUQT-CYBMUJFWSA-N 1 2 374.432 2.341 20 30 FEEDLO C[N@@H+](CCC(F)(F)F)CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000539451749 673491329 /nfs/dbraw/zinc/49/13/29/673491329.db2.gz VSVBJZLHRPFUQT-CYBMUJFWSA-N 1 2 374.432 2.341 20 30 FEEDLO CC(=NNC(=S)NCC(F)(F)F)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000735613949 673498028 /nfs/dbraw/zinc/49/80/28/673498028.db2.gz NAORWJLZAWQBSE-CQSZACIVSA-N 1 2 374.432 2.290 20 30 FEEDLO CC(=NNC(=S)NCC(F)(F)F)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000735613949 673498029 /nfs/dbraw/zinc/49/80/29/673498029.db2.gz NAORWJLZAWQBSE-CQSZACIVSA-N 1 2 374.432 2.290 20 30 FEEDLO COc1cc(C#N)ccc1S(=O)(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000545212626 673752278 /nfs/dbraw/zinc/75/22/78/673752278.db2.gz MXKOJEXYTKVUJN-INIZCTEOSA-N 1 2 357.435 2.032 20 30 FEEDLO COc1cc(C#N)ccc1S(=O)(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000545212626 673752279 /nfs/dbraw/zinc/75/22/79/673752279.db2.gz MXKOJEXYTKVUJN-INIZCTEOSA-N 1 2 357.435 2.032 20 30 FEEDLO C[C@@H](OC(=O)[C@@H]1CCCC[N@@H+]1C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000745083662 673824842 /nfs/dbraw/zinc/82/48/42/673824842.db2.gz DQCBAAMLKMIBEG-RISCZKNCSA-N 1 2 361.467 2.463 20 30 FEEDLO C[C@@H](OC(=O)[C@@H]1CCCC[N@H+]1C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000745083662 673824845 /nfs/dbraw/zinc/82/48/45/673824845.db2.gz DQCBAAMLKMIBEG-RISCZKNCSA-N 1 2 361.467 2.463 20 30 FEEDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NS(=O)(=O)CC2(C#N)CC2)c(C)c1 ZINC000547331079 673843749 /nfs/dbraw/zinc/84/37/49/673843749.db2.gz KRPIBRVSKFHZAJ-QGZVFWFLSA-N 1 2 358.467 2.464 20 30 FEEDLO CC1(C#N)CCN(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)CC1 ZINC000601647798 673890932 /nfs/dbraw/zinc/89/09/32/673890932.db2.gz IUWMTCFJTRWKMG-UHFFFAOYSA-N 1 2 359.499 2.470 20 30 FEEDLO C=C[C@@](C)(O)C(=O)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000821398376 675432892 /nfs/dbraw/zinc/43/28/92/675432892.db2.gz UOLKAXAKGHZWRO-MRXNPFEDSA-N 1 2 358.360 2.166 20 30 FEEDLO C[C@@H](c1cccc(C#N)c1)[N@H+](C)CCS(=O)(=O)CC(=O)OC(C)(C)C ZINC000823618178 675563573 /nfs/dbraw/zinc/56/35/73/675563573.db2.gz OPFLPHPKYGPPAZ-AWEZNQCLSA-N 1 2 366.483 2.308 20 30 FEEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCS(=O)(=O)CC(=O)OC(C)(C)C ZINC000823618178 675563576 /nfs/dbraw/zinc/56/35/76/675563576.db2.gz OPFLPHPKYGPPAZ-AWEZNQCLSA-N 1 2 366.483 2.308 20 30 FEEDLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)c2sccc2C#N)CC1 ZINC000604523513 675805757 /nfs/dbraw/zinc/80/57/57/675805757.db2.gz PXXRYXRSRAWREZ-UHFFFAOYSA-N 1 2 354.435 2.260 20 30 FEEDLO COCC#CC[NH+]1CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC000677819950 679699369 /nfs/dbraw/zinc/69/93/69/679699369.db2.gz DPRLWEJPADQVCK-UHFFFAOYSA-N 1 2 355.251 2.356 20 30 FEEDLO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCO[C@H](CCF)C2)c(OC)c1 ZINC000625999864 676682916 /nfs/dbraw/zinc/68/29/16/676682916.db2.gz DYAUHVMRULMKCD-IAGOWNOFSA-N 1 2 353.434 2.224 20 30 FEEDLO C=CCc1ccc(OC[C@H](O)C[N@H+]2CCO[C@H](CCF)C2)c(OC)c1 ZINC000625999864 676682917 /nfs/dbraw/zinc/68/29/17/676682917.db2.gz DYAUHVMRULMKCD-IAGOWNOFSA-N 1 2 353.434 2.224 20 30 FEEDLO C=CCOc1c(Cl)cc(C[N@@H+]2CCN3CCOC[C@@H]3C2)cc1OC ZINC000628238026 676795329 /nfs/dbraw/zinc/79/53/29/676795329.db2.gz IMKSYPLRKISJIH-HNNXBMFYSA-N 1 2 352.862 2.430 20 30 FEEDLO C=CCOc1c(Cl)cc(C[N@H+]2CCN3CCOC[C@@H]3C2)cc1OC ZINC000628238026 676795330 /nfs/dbraw/zinc/79/53/30/676795330.db2.gz IMKSYPLRKISJIH-HNNXBMFYSA-N 1 2 352.862 2.430 20 30 FEEDLO C[C@@H]1CCCC[C@@H]1OCCNC(=O)CO[NH+]=C(N)c1ccc(F)cc1 ZINC000762665904 680757745 /nfs/dbraw/zinc/75/77/45/680757745.db2.gz VBDWALJDYSVZNF-CJNGLKHVSA-N 1 2 351.422 2.174 20 30 FEEDLO C=CC[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N(CCC)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000661379372 678472543 /nfs/dbraw/zinc/47/25/43/678472543.db2.gz XOQAQAYGUPEYQB-GVDBMIGSSA-N 1 2 356.532 2.089 20 30 FEEDLO C=CC[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N(CCC)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000661379372 678472546 /nfs/dbraw/zinc/47/25/46/678472546.db2.gz XOQAQAYGUPEYQB-GVDBMIGSSA-N 1 2 356.532 2.089 20 30 FEEDLO C#CC[N@@H+](CC(=O)N1CCN(Cc2c(F)cccc2Cl)CC1)C1CC1 ZINC000763948924 680796377 /nfs/dbraw/zinc/79/63/77/680796377.db2.gz GKORMURFGMURBD-UHFFFAOYSA-N 1 2 363.864 2.221 20 30 FEEDLO C#CC[N@H+](CC(=O)N1CCN(Cc2c(F)cccc2Cl)CC1)C1CC1 ZINC000763948924 680796379 /nfs/dbraw/zinc/79/63/79/680796379.db2.gz GKORMURFGMURBD-UHFFFAOYSA-N 1 2 363.864 2.221 20 30 FEEDLO C=CC[C@H]1CCCC[C@H]1NC(=O)N1CC[NH+](CCOCCOC)CC1 ZINC000665384917 678956920 /nfs/dbraw/zinc/95/69/20/678956920.db2.gz RGTXAPPAHCBTFY-ZWKOTPCHSA-N 1 2 353.507 2.112 20 30 FEEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)N1CC[NH+](Cc2ccc(CC)s2)CC1 ZINC000668974852 679212431 /nfs/dbraw/zinc/21/24/31/679212431.db2.gz MBQSITAFFMMCIW-GOSISDBHSA-N 1 2 363.527 2.426 20 30 FEEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC000993491617 680169798 /nfs/dbraw/zinc/16/97/98/680169798.db2.gz KOIJJJJOADNBKB-SCLBCKFNSA-N 1 2 364.877 2.038 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+](Cc2nnc(C)s2)C1 ZINC001023643039 680268354 /nfs/dbraw/zinc/26/83/54/680268354.db2.gz NCNWCEMYZVPBQO-ZOBUZTSGSA-N 1 2 364.515 2.156 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+](Cc2nnc(C)s2)C1 ZINC001023643039 680268358 /nfs/dbraw/zinc/26/83/58/680268358.db2.gz NCNWCEMYZVPBQO-ZOBUZTSGSA-N 1 2 364.515 2.156 20 30 FEEDLO C#CCSCCOC(=O)[C@@H]1CCC(=O)N(CCC)[C@H]1c1c[nH+]cn1C ZINC000835437023 680332566 /nfs/dbraw/zinc/33/25/66/680332566.db2.gz OYOQHFZZCCFCJY-RHSMWYFYSA-N 1 2 363.483 2.019 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2nnc(CCC)s2)C1 ZINC001028808655 680383139 /nfs/dbraw/zinc/38/31/39/680383139.db2.gz CLZPOGFFQNCNAQ-ZNMIVQPWSA-N 1 2 364.515 2.020 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2nnc(CCC)s2)C1 ZINC001028808655 680383143 /nfs/dbraw/zinc/38/31/43/680383143.db2.gz CLZPOGFFQNCNAQ-ZNMIVQPWSA-N 1 2 364.515 2.020 20 30 FEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1C[NH+](Cc2cc(OC)ns2)C1 ZINC001032040834 680411677 /nfs/dbraw/zinc/41/16/77/680411677.db2.gz WETWMYISWQFYAM-RDJZCZTQSA-N 1 2 365.499 2.071 20 30 FEEDLO C=CCn1nnn(C[N@@H+]2CCC[C@H]2Cn2cnc3ccccc32)c1=S ZINC000755787443 680436073 /nfs/dbraw/zinc/43/60/73/680436073.db2.gz CTNFFZXNKCZWHB-AWEZNQCLSA-N 1 2 355.471 2.467 20 30 FEEDLO C=CCn1nnn(C[N@H+]2CCC[C@H]2Cn2cnc3ccccc32)c1=S ZINC000755787443 680436076 /nfs/dbraw/zinc/43/60/76/680436076.db2.gz CTNFFZXNKCZWHB-AWEZNQCLSA-N 1 2 355.471 2.467 20 30 FEEDLO C[C@H]1C[N@@H+](C2CC2)CC1=NNS(=O)(=O)c1ccc(Br)cc1 ZINC000755871770 680441566 /nfs/dbraw/zinc/44/15/66/680441566.db2.gz KITIEQINDGAZBL-JTQLQIEISA-N 1 2 372.288 2.198 20 30 FEEDLO C[C@H]1C[N@H+](C2CC2)CC1=NNS(=O)(=O)c1ccc(Br)cc1 ZINC000755871770 680441570 /nfs/dbraw/zinc/44/15/70/680441570.db2.gz KITIEQINDGAZBL-JTQLQIEISA-N 1 2 372.288 2.198 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([N@@H+](C)Cc2nn(C)cc2Cl)CC1 ZINC000985662382 680467765 /nfs/dbraw/zinc/46/77/65/680467765.db2.gz SUFWXVXUJBEPGC-PBHICJAKSA-N 1 2 366.893 2.087 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([N@H+](C)Cc2nn(C)cc2Cl)CC1 ZINC000985662382 680467768 /nfs/dbraw/zinc/46/77/68/680467768.db2.gz SUFWXVXUJBEPGC-PBHICJAKSA-N 1 2 366.893 2.087 20 30 FEEDLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@H](Nc2nc(Cl)c(C#N)s2)C1 ZINC001043274494 680571287 /nfs/dbraw/zinc/57/12/87/680571287.db2.gz NUYBLDJAEALMJY-LDYMZIIASA-N 1 2 364.862 2.201 20 30 FEEDLO Cc1nsc(N[C@@H]2CN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C[C@H]2C)c1C#N ZINC001043553660 680587256 /nfs/dbraw/zinc/58/72/56/680587256.db2.gz BXVWBESTIHREKZ-FIXISWKDSA-N 1 2 358.471 2.184 20 30 FEEDLO Cc1nsc(N[C@@H]2CN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C[C@H]2C)c1C#N ZINC001043553660 680587259 /nfs/dbraw/zinc/58/72/59/680587259.db2.gz BXVWBESTIHREKZ-FIXISWKDSA-N 1 2 358.471 2.184 20 30 FEEDLO Cc1nc(N2CCN(C(=O)c3ccccc3SCC#N)CC2)cc[nH+]1 ZINC000759211101 680634704 /nfs/dbraw/zinc/63/47/04/680634704.db2.gz XESHHQUYQSWMDH-UHFFFAOYSA-N 1 2 353.451 2.363 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nnc(C)s1 ZINC001045850111 680641487 /nfs/dbraw/zinc/64/14/87/680641487.db2.gz QLPIXMUOPATLFG-QXSJWSMHSA-N 1 2 362.499 2.003 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1nnc(C)s1 ZINC001045850111 680641488 /nfs/dbraw/zinc/64/14/88/680641488.db2.gz QLPIXMUOPATLFG-QXSJWSMHSA-N 1 2 362.499 2.003 20 30 FEEDLO C#CC[C@H]1CCC[N@@H+](Cn2nc(CCC(N)=O)n(CC(C)C)c2=S)C1 ZINC000842627106 680955700 /nfs/dbraw/zinc/95/57/00/680955700.db2.gz FCVVWQCYPOJQJB-HNNXBMFYSA-N 1 2 363.531 2.181 20 30 FEEDLO C#CC[C@H]1CCC[N@H+](Cn2nc(CCC(N)=O)n(CC(C)C)c2=S)C1 ZINC000842627106 680955701 /nfs/dbraw/zinc/95/57/01/680955701.db2.gz FCVVWQCYPOJQJB-HNNXBMFYSA-N 1 2 363.531 2.181 20 30 FEEDLO C#CC[C@@H]1CCC[N@@H+](Cn2nc(N3CCOCC3)n(C3CC3)c2=S)C1 ZINC000842629365 680955807 /nfs/dbraw/zinc/95/58/07/680955807.db2.gz LSAQMXGSGBHZRE-OAHLLOKOSA-N 1 2 361.515 2.278 20 30 FEEDLO C#CC[C@@H]1CCC[N@H+](Cn2nc(N3CCOCC3)n(C3CC3)c2=S)C1 ZINC000842629365 680955809 /nfs/dbraw/zinc/95/58/09/680955809.db2.gz LSAQMXGSGBHZRE-OAHLLOKOSA-N 1 2 361.515 2.278 20 30 FEEDLO CCOC(=O)C1CCN(C(=O)[C@H](C)[N@H+](C)Cc2cc(C#N)cs2)CC1 ZINC000933775599 681466907 /nfs/dbraw/zinc/46/69/07/681466907.db2.gz KQUUQRKETNQLKY-ZDUSSCGKSA-N 1 2 363.483 2.242 20 30 FEEDLO CCOC(=O)C1CCN(C(=O)[C@H](C)[N@@H+](C)Cc2cc(C#N)cs2)CC1 ZINC000933775599 681466909 /nfs/dbraw/zinc/46/69/09/681466909.db2.gz KQUUQRKETNQLKY-ZDUSSCGKSA-N 1 2 363.483 2.242 20 30 FEEDLO CCOC(=O)[C@H]1CCCN(C(=O)[C@@H](C)[N@H+](C)Cc2cc(C#N)cs2)C1 ZINC000933777697 681467420 /nfs/dbraw/zinc/46/74/20/681467420.db2.gz NQVPONMRYJAWDC-HIFRSBDPSA-N 1 2 363.483 2.242 20 30 FEEDLO CCOC(=O)[C@H]1CCCN(C(=O)[C@@H](C)[N@@H+](C)Cc2cc(C#N)cs2)C1 ZINC000933777697 681467422 /nfs/dbraw/zinc/46/74/22/681467422.db2.gz NQVPONMRYJAWDC-HIFRSBDPSA-N 1 2 363.483 2.242 20 30 FEEDLO C=CCn1c(C)nn(C[N@@H+]2CC[C@@]3(C2)c2ccccc2NC3=O)c1=S ZINC000777556884 681503017 /nfs/dbraw/zinc/50/30/17/681503017.db2.gz HXQFFUFSGZRUIC-GOSISDBHSA-N 1 2 355.467 2.462 20 30 FEEDLO C=CCn1c(C)nn(C[N@H+]2CC[C@@]3(C2)c2ccccc2NC3=O)c1=S ZINC000777556884 681503022 /nfs/dbraw/zinc/50/30/22/681503022.db2.gz HXQFFUFSGZRUIC-GOSISDBHSA-N 1 2 355.467 2.462 20 30 FEEDLO Cc1nn(-c2cccc(Br)c2)cc1C=NNC1=[NH+]C[C@H](C)N1 ZINC000848408300 681536681 /nfs/dbraw/zinc/53/66/81/681536681.db2.gz ITBQUHAODMEZPW-JTQLQIEISA-N 1 2 361.247 2.214 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[NH+](CCOC2CCCCCC2)CC1 ZINC000950596829 681698157 /nfs/dbraw/zinc/69/81/57/681698157.db2.gz CFEFFZKWBZULFJ-MOPGFXCFSA-N 1 2 350.503 2.461 20 30 FEEDLO C=C(Br)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCO[C@H]1C(=C)C ZINC000961996375 682106013 /nfs/dbraw/zinc/10/60/13/682106013.db2.gz SGTLRRLUXUMOLH-RBZJEDDUSA-N 1 2 369.303 2.313 20 30 FEEDLO C=C(Br)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCO[C@H]1C(=C)C ZINC000961996375 682106017 /nfs/dbraw/zinc/10/60/17/682106017.db2.gz SGTLRRLUXUMOLH-RBZJEDDUSA-N 1 2 369.303 2.313 20 30 FEEDLO CC(C)(C#N)CS(=O)(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000915977866 685520058 /nfs/dbraw/zinc/52/00/58/685520058.db2.gz MXXDVRXPXVMEQV-UHFFFAOYSA-N 1 2 352.847 2.495 20 30 FEEDLO C#CCOCCNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000784391088 682222527 /nfs/dbraw/zinc/22/25/27/682222527.db2.gz VTSHZZMFTHBIBY-CVEARBPZSA-N 1 2 353.825 2.173 20 30 FEEDLO C#CCOCCNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000784391088 682222529 /nfs/dbraw/zinc/22/25/29/682222529.db2.gz VTSHZZMFTHBIBY-CVEARBPZSA-N 1 2 353.825 2.173 20 30 FEEDLO C=C(C)[C@@H](CO)[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C(F)(F)F)C1 ZINC000852673572 682318027 /nfs/dbraw/zinc/31/80/27/682318027.db2.gz KRTICNZUVRQFMT-BZUAXINKSA-N 1 2 356.388 2.460 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Cc3ccc(Cl)cn3)CC2)cc1 ZINC000785715149 682319529 /nfs/dbraw/zinc/31/95/29/682319529.db2.gz WOOUSGHAXBOZLN-UHFFFAOYSA-N 1 2 354.841 2.494 20 30 FEEDLO N#Cc1cc(S(N)(=O)=O)ccc1NCc1ccccc1-n1cc[nH+]c1 ZINC000785836949 682330107 /nfs/dbraw/zinc/33/01/07/682330107.db2.gz JAQVNPPDJWDJCY-UHFFFAOYSA-N 1 2 353.407 2.003 20 30 FEEDLO O=C1C=C([NH2+]Nc2ccc(S(=O)(=O)C(F)F)cc2)[C@H]2CCCCN12 ZINC000799478366 683458345 /nfs/dbraw/zinc/45/83/45/683458345.db2.gz CQSBZOFKOIUDBK-CYBMUJFWSA-N 1 2 357.382 2.236 20 30 FEEDLO C#CC[NH+]1CCC(NS(=O)(=O)c2cnc(-c3ccccc3)s2)CC1 ZINC000921436061 683467723 /nfs/dbraw/zinc/46/77/23/683467723.db2.gz NIYADXYVGYCVPG-UHFFFAOYSA-N 1 2 361.492 2.186 20 30 FEEDLO C#CC[C@H]1CC[N@@H+](Cc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2Cl)C1 ZINC000862443275 683592061 /nfs/dbraw/zinc/59/20/61/683592061.db2.gz NLEVKHPPCSNWLN-UONOGXRCSA-N 1 2 355.891 2.050 20 30 FEEDLO C#CC[C@H]1CC[N@H+](Cc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2Cl)C1 ZINC000862443275 683592065 /nfs/dbraw/zinc/59/20/65/683592065.db2.gz NLEVKHPPCSNWLN-UONOGXRCSA-N 1 2 355.891 2.050 20 30 FEEDLO C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000864883576 683904745 /nfs/dbraw/zinc/90/47/45/683904745.db2.gz CFSYNYVDGCTWIX-QWHCGFSZSA-N 1 2 356.854 2.424 20 30 FEEDLO O=C(OCC#Cc1cccc(Cl)c1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000923772526 684348672 /nfs/dbraw/zinc/34/86/72/684348672.db2.gz UTCSYYNHLOFHIT-MSOLQXFVSA-N 1 2 363.841 2.115 20 30 FEEDLO CO[C@@]1(C(F)(F)F)CC[N@@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000880304220 687029891 /nfs/dbraw/zinc/02/98/91/687029891.db2.gz MEKZMPWIAHBXJK-HOCLYGCPSA-N 1 2 353.344 2.317 20 30 FEEDLO CO[C@@]1(C(F)(F)F)CC[N@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000880304220 687029892 /nfs/dbraw/zinc/02/98/92/687029892.db2.gz MEKZMPWIAHBXJK-HOCLYGCPSA-N 1 2 353.344 2.317 20 30 FEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCCc2cc(OC(F)F)ccc21 ZINC000884099669 687788755 /nfs/dbraw/zinc/78/87/55/687788755.db2.gz VZRMXSZTCDVNPQ-ZDUSSCGKSA-N 1 2 354.353 2.014 20 30 FEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H](CC)c1nc(C(F)(F)F)cs1 ZINC000884165842 687806011 /nfs/dbraw/zinc/80/60/11/687806011.db2.gz PQTBDRCXNRTXEU-IUCAKERBSA-N 1 2 365.377 2.176 20 30 FEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCc2cccc(C(F)(F)F)c2C1 ZINC000884439471 687871521 /nfs/dbraw/zinc/87/15/21/687871521.db2.gz GQSAZLKCAWCNKX-AWEZNQCLSA-N 1 2 356.344 2.037 20 30 FEEDLO CN(C)[C@@H](C(=O)Nc1ccc(Br)c(C#N)c1)c1c[nH+]cn1C ZINC000887994568 688532244 /nfs/dbraw/zinc/53/22/44/688532244.db2.gz BNKSUKMTGLRNSS-CQSZACIVSA-N 1 2 362.231 2.296 20 30 FEEDLO Cc1nn(C)c(C[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1Cl ZINC000894006419 689448240 /nfs/dbraw/zinc/44/82/40/689448240.db2.gz UAHOKTAJUKHNRG-OAHLLOKOSA-N 1 2 357.845 2.144 20 30 FEEDLO C[NH+]1CCC(C#N)(NC(=O)C(F)(F)c2ncccc2Br)CC1 ZINC000906600638 691290052 /nfs/dbraw/zinc/29/00/52/691290052.db2.gz LVMQGUDTDBSOHK-UHFFFAOYSA-N 1 2 373.201 2.040 20 30 FEEDLO C=CC[NH+]1CCN(c2nc(SC)nc(Cl)c2C(=O)OCC)CC1 ZINC001165031907 721866894 /nfs/dbraw/zinc/86/68/94/721866894.db2.gz YZWFDYNQSVOVMT-UHFFFAOYSA-N 1 2 356.879 2.337 20 30 FEEDLO C[C@H](O)CNc1[nH+]c2ccccc2n1CC(=O)NCc1ccc(C#N)cc1 ZINC000519887886 887606527 /nfs/dbraw/zinc/60/65/27/887606527.db2.gz YWBXSAPDTGCYLL-AWEZNQCLSA-N 1 2 363.421 2.017 20 30 FEEDLO COc1cc2c(cc1OC)C[N@H+](CC(=O)NC1(C#N)CCCCC1)CC2 ZINC000030674326 210168504 /nfs/dbraw/zinc/16/85/04/210168504.db2.gz XKZNFFMJOSISIJ-UHFFFAOYSA-N 1 2 357.454 2.405 20 30 FEEDLO COc1cc2c(cc1OC)C[N@@H+](CC(=O)NC1(C#N)CCCCC1)CC2 ZINC000030674326 210168508 /nfs/dbraw/zinc/16/85/08/210168508.db2.gz XKZNFFMJOSISIJ-UHFFFAOYSA-N 1 2 357.454 2.405 20 30 FEEDLO C=C(C)CN(CC)C(=O)C[N@H+](CC)CC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000007681127 539463013 /nfs/dbraw/zinc/46/30/13/539463013.db2.gz YNULZRFTXZXNOP-UHFFFAOYSA-N 1 2 374.485 2.330 20 30 FEEDLO C=C(C)CN(CC)C(=O)C[N@@H+](CC)CC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000007681127 539463018 /nfs/dbraw/zinc/46/30/18/539463018.db2.gz YNULZRFTXZXNOP-UHFFFAOYSA-N 1 2 374.485 2.330 20 30 FEEDLO C=C(C)C[NH+]1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 ZINC000024814074 539741144 /nfs/dbraw/zinc/74/11/44/539741144.db2.gz RQPRTBDCEZHNIM-UHFFFAOYSA-N 1 2 359.289 2.332 20 30 FEEDLO C[N@H+](CC(=O)Nc1sc2c(c1C(N)=O)CCC2)Cc1cccc(C#N)c1 ZINC000026324270 539782869 /nfs/dbraw/zinc/78/28/69/539782869.db2.gz HXMTYRTVQBPOMW-UHFFFAOYSA-N 1 2 368.462 2.278 20 30 FEEDLO C[N@@H+](CC(=O)Nc1sc2c(c1C(N)=O)CCC2)Cc1cccc(C#N)c1 ZINC000026324270 539782874 /nfs/dbraw/zinc/78/28/74/539782874.db2.gz HXMTYRTVQBPOMW-UHFFFAOYSA-N 1 2 368.462 2.278 20 30 FEEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)C[C@H](C)[N@H+]1C ZINC000549925955 674072541 /nfs/dbraw/zinc/07/25/41/674072541.db2.gz ISQRFAPQMCGOPV-PHIMTYICSA-N 1 2 361.389 2.290 20 30 FEEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)C[C@H](C)[N@@H+]1C ZINC000549925955 674072544 /nfs/dbraw/zinc/07/25/44/674072544.db2.gz ISQRFAPQMCGOPV-PHIMTYICSA-N 1 2 361.389 2.290 20 30 FEEDLO N#Cc1ccc(N2CC[C@@H]([NH+]3CCN(c4ccccc4O)CC3)C2=O)cc1 ZINC000028708729 539835489 /nfs/dbraw/zinc/83/54/89/539835489.db2.gz YWSIWKJODFVSDM-LJQANCHMSA-N 1 2 362.433 2.191 20 30 FEEDLO CC(C)N(C(=O)C[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1)C(C)C ZINC000029242918 539848124 /nfs/dbraw/zinc/84/81/24/539848124.db2.gz TYORDKDVYQJTOZ-UHFFFAOYSA-N 1 2 359.474 2.191 20 30 FEEDLO C=CCNC(=O)C[NH+]1CCN(Cc2ccc(Br)cc2F)CC1 ZINC000045780085 540227193 /nfs/dbraw/zinc/22/71/93/540227193.db2.gz CXTQREXCWGQXQW-UHFFFAOYSA-N 1 2 370.266 2.008 20 30 FEEDLO CCCN(CC)c1ccc(C(=O)N=c2[nH][nH]c(CCC[NH2+]C)c2C#N)cn1 ZINC000534061350 540320173 /nfs/dbraw/zinc/32/01/73/540320173.db2.gz KAPHALKUNYVAMF-UHFFFAOYSA-N 1 2 369.473 2.317 20 30 FEEDLO C=C(C)CN(CC)C(=O)CN1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000052685327 540482219 /nfs/dbraw/zinc/48/22/19/540482219.db2.gz RPZPZXCXASGGMB-UHFFFAOYSA-N 1 2 359.518 2.455 20 30 FEEDLO C[C@H](C(=O)N(C)C1CCCCC1)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000052442379 540466818 /nfs/dbraw/zinc/46/68/18/540466818.db2.gz QAOWLCKLLGEUEG-MRXNPFEDSA-N 1 2 355.486 2.255 20 30 FEEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN([C@@H](C)c2nc(-c3ccccc3)no2)CC1 ZINC000052775765 540488264 /nfs/dbraw/zinc/48/82/64/540488264.db2.gz GDPWHYYHEYIGEM-CVEARBPZSA-N 1 2 369.469 2.106 20 30 FEEDLO Cc1csc(NC(=O)C[N@@H+]2CCCN(c3ccccc3C#N)CC2)n1 ZINC000052801457 540490196 /nfs/dbraw/zinc/49/01/96/540490196.db2.gz UPWOREVDTVIREG-UHFFFAOYSA-N 1 2 355.467 2.474 20 30 FEEDLO Cc1csc(NC(=O)C[N@H+]2CCCN(c3ccccc3C#N)CC2)n1 ZINC000052801457 540490197 /nfs/dbraw/zinc/49/01/97/540490197.db2.gz UPWOREVDTVIREG-UHFFFAOYSA-N 1 2 355.467 2.474 20 30 FEEDLO N#Cc1ccccc1CN1CC[NH+](CC(=O)N2CCc3ccccc32)CC1 ZINC000052927472 540499362 /nfs/dbraw/zinc/49/93/62/540499362.db2.gz DBDPXOVHMUHESL-UHFFFAOYSA-N 1 2 360.461 2.265 20 30 FEEDLO N#CCCN(CCC#N)C(=O)CN1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000053065558 540508873 /nfs/dbraw/zinc/50/88/73/540508873.db2.gz XYPMROOGGQGBMS-UHFFFAOYSA-N 1 2 373.888 2.114 20 30 FEEDLO N#CCCN(CCC#N)C(=O)C[NH+]1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000053065558 540508876 /nfs/dbraw/zinc/50/88/76/540508876.db2.gz XYPMROOGGQGBMS-UHFFFAOYSA-N 1 2 373.888 2.114 20 30 FEEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)c2ncccc2C(F)(F)F)c1C#N ZINC000536615076 540628170 /nfs/dbraw/zinc/62/81/70/540628170.db2.gz LPGYWHIBGOPNFN-UHFFFAOYSA-N 1 2 352.320 2.099 20 30 FEEDLO CN(C1CCN(c2cccc[nH+]2)CC1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000057873578 540820761 /nfs/dbraw/zinc/82/07/61/540820761.db2.gz AVNWSHMBEGICFJ-UHFFFAOYSA-N 1 2 356.451 2.243 20 30 FEEDLO CC(C)CNC(=O)CO[NH+]=C(N)c1cccc(OCc2cccnc2)c1 ZINC000060197480 540869668 /nfs/dbraw/zinc/86/96/68/540869668.db2.gz QTFZSFSCJGMJQZ-UHFFFAOYSA-N 1 2 356.426 2.070 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Cc1cccc2ccccc21 ZINC000060633891 541119673 /nfs/dbraw/zinc/11/96/73/541119673.db2.gz NHZUAFULOMWFGT-UHFFFAOYSA-N 1 2 351.450 2.457 20 30 FEEDLO CC(C)(C)NC(=O)CO[NH+]=C(N)c1cccc(OCc2cccnc2)c1 ZINC000063509897 541171208 /nfs/dbraw/zinc/17/12/08/541171208.db2.gz KKANSPQOTQHTOI-UHFFFAOYSA-N 1 2 356.426 2.212 20 30 FEEDLO COCC[N@H+](CC(=O)NCc1ccccc1OC)Cc1ccc(C#N)cc1 ZINC000063754440 541183421 /nfs/dbraw/zinc/18/34/21/541183421.db2.gz CGDHOMFGGCYNKE-UHFFFAOYSA-N 1 2 367.449 2.332 20 30 FEEDLO COCC[N@@H+](CC(=O)NCc1ccccc1OC)Cc1ccc(C#N)cc1 ZINC000063754440 541183425 /nfs/dbraw/zinc/18/34/25/541183425.db2.gz CGDHOMFGGCYNKE-UHFFFAOYSA-N 1 2 367.449 2.332 20 30 FEEDLO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000065297532 541233466 /nfs/dbraw/zinc/23/34/66/541233466.db2.gz WZYZYQLJESVQKO-GOSISDBHSA-N 1 2 356.470 2.266 20 30 FEEDLO CCN(CC)C(=O)[C@H]1CCC[N@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000065297532 541233469 /nfs/dbraw/zinc/23/34/69/541233469.db2.gz WZYZYQLJESVQKO-GOSISDBHSA-N 1 2 356.470 2.266 20 30 FEEDLO Cc1cccn2cc(CC(=O)NC3CCN(c4ccc(C#N)cn4)CC3)[nH+]c12 ZINC000066526166 541331725 /nfs/dbraw/zinc/33/17/25/541331725.db2.gz LNCQWICHZPUCFC-UHFFFAOYSA-N 1 2 374.448 2.237 20 30 FEEDLO C[C@@H]1CCC[C@@H](NC(=O)CN2CC[NH+](Cc3cccc(C#N)c3)CC2)C1 ZINC000066566741 541337859 /nfs/dbraw/zinc/33/78/59/541337859.db2.gz ZGMVHLSQHDJVEH-YLJYHZDGSA-N 1 2 354.498 2.371 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCN(c2ccc(Cl)cn2)CC1 ZINC000066869636 541384115 /nfs/dbraw/zinc/38/41/15/541384115.db2.gz PZGNOILWNXGQDW-KDOFPFPSSA-N 1 2 363.893 2.300 20 30 FEEDLO N#Cc1nc(NCc2ccc[nH+]c2N2CCC(C(N)=O)CC2)ccc1Cl ZINC000067372082 541450920 /nfs/dbraw/zinc/45/09/20/541450920.db2.gz QJVLLIUJQOWDLV-UHFFFAOYSA-N 1 2 370.844 2.315 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Cc1c[nH]c2cc(Cl)ccc12 ZINC000068124537 541552013 /nfs/dbraw/zinc/55/20/13/541552013.db2.gz BCAPAMYUCVFJIE-UHFFFAOYSA-N 1 2 374.872 2.438 20 30 FEEDLO CC(C)NC(=O)C[NH+]1CCN(c2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000068660257 541617215 /nfs/dbraw/zinc/61/72/15/541617215.db2.gz UDWGNVLTUVGYCA-UHFFFAOYSA-N 1 2 354.376 2.224 20 30 FEEDLO N#Cc1cccc(-c2nnc(C[N@H+]3CCC[C@H]3[C@H](O)C(F)(F)F)o2)c1 ZINC000075719149 542200882 /nfs/dbraw/zinc/20/08/82/542200882.db2.gz UTYFXVCZGITRCL-JSGCOSHPSA-N 1 2 352.316 2.496 20 30 FEEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3CCC[C@H]3[C@H](O)C(F)(F)F)o2)c1 ZINC000075719149 542200883 /nfs/dbraw/zinc/20/08/83/542200883.db2.gz UTYFXVCZGITRCL-JSGCOSHPSA-N 1 2 352.316 2.496 20 30 FEEDLO N#Cc1cccc(CS(=O)(=O)NCc2ccc(N3CCCC3)[nH+]c2)c1 ZINC000078616145 542471250 /nfs/dbraw/zinc/47/12/50/542471250.db2.gz CFLJCQNOYDDHDM-UHFFFAOYSA-N 1 2 356.451 2.173 20 30 FEEDLO C[C@@H](C#N)OCC[NH+]1CCN([C@@H](C)c2nc(-c3cccs3)no2)CC1 ZINC000801919460 674155122 /nfs/dbraw/zinc/15/51/22/674155122.db2.gz FWORCDXNDVJDOI-KBPBESRZSA-N 1 2 361.471 2.405 20 30 FEEDLO C[C@H]1C[NH+]=C(N2CCN(CC(=O)N(CCC#N)c3ccccc3)CC2)S1 ZINC000079497495 542522614 /nfs/dbraw/zinc/52/26/14/542522614.db2.gz RBIQLECTBNGGGV-INIZCTEOSA-N 1 2 371.510 2.042 20 30 FEEDLO C=CC[N@@H+](Cc1cccc(OCCCOC)c1)[C@H]1CCS(=O)(=O)C1 ZINC000092361723 542859903 /nfs/dbraw/zinc/85/99/03/542859903.db2.gz BSMYWDAYAHJFIV-KRWDZBQOSA-N 1 2 353.484 2.277 20 30 FEEDLO C=CC[N@H+](Cc1cccc(OCCCOC)c1)[C@H]1CCS(=O)(=O)C1 ZINC000092361723 542859908 /nfs/dbraw/zinc/85/99/08/542859908.db2.gz BSMYWDAYAHJFIV-KRWDZBQOSA-N 1 2 353.484 2.277 20 30 FEEDLO CN(CCC#N)C(=O)CC[N@@H+]1CCC[C@@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000092807679 542887862 /nfs/dbraw/zinc/88/78/62/542887862.db2.gz GGHPHHZLHYGKKW-MRXNPFEDSA-N 1 2 352.442 2.371 20 30 FEEDLO CN(CCC#N)C(=O)CC[N@H+]1CCC[C@@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000092807679 542887865 /nfs/dbraw/zinc/88/78/65/542887865.db2.gz GGHPHHZLHYGKKW-MRXNPFEDSA-N 1 2 352.442 2.371 20 30 FEEDLO CN(CCC#N)C(=O)CC[N@@H+]1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000092807679 542887867 /nfs/dbraw/zinc/88/78/67/542887867.db2.gz GGHPHHZLHYGKKW-MRXNPFEDSA-N 1 2 352.442 2.371 20 30 FEEDLO CN(CCC#N)C(=O)CC[N@H+]1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000092807679 542887870 /nfs/dbraw/zinc/88/78/70/542887870.db2.gz GGHPHHZLHYGKKW-MRXNPFEDSA-N 1 2 352.442 2.371 20 30 FEEDLO CCOC(=O)C1(C)CC[NH+]([C@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000092824610 542889663 /nfs/dbraw/zinc/88/96/63/542889663.db2.gz JNHHTOWIHJVWSD-AWEZNQCLSA-N 1 2 361.467 2.390 20 30 FEEDLO N#Cc1ccc2[nH+]cc(CN3CCn4c(nnc4-c4ccccc4)C3)n2c1 ZINC000093842687 542942201 /nfs/dbraw/zinc/94/22/01/542942201.db2.gz QMLJJEKOBNZGIF-UHFFFAOYSA-N 1 2 355.405 2.480 20 30 FEEDLO CS(=O)(=O)CCCO[NH+]=C(N)COc1ccc(Cl)cc1Cl ZINC000103136100 543094283 /nfs/dbraw/zinc/09/42/83/543094283.db2.gz NWUFNDFCASVAQV-UHFFFAOYSA-N 1 2 355.243 2.096 20 30 FEEDLO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(Cc2cc(C#N)ccc2F)CC1 ZINC000103491927 543111807 /nfs/dbraw/zinc/11/18/07/543111807.db2.gz GVGXULDMYOPTSC-HNNXBMFYSA-N 1 2 358.461 2.262 20 30 FEEDLO C[C@H](C(=O)NCC(F)(F)F)[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000104963369 543152754 /nfs/dbraw/zinc/15/27/54/543152754.db2.gz XXLYZUKRWXSYOG-GFCCVEGCSA-N 1 2 355.360 2.468 20 30 FEEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000108612100 543297818 /nfs/dbraw/zinc/29/78/18/543297818.db2.gz ZPMUKTLPNOIFNO-AWEZNQCLSA-N 1 2 372.494 2.183 20 30 FEEDLO N#CCCN(C(=O)CN1CCCC[C@H]1C[NH+]1CCOCC1)c1ccccc1 ZINC000109820041 543340707 /nfs/dbraw/zinc/34/07/07/543340707.db2.gz VLWNMJVYLJWWCG-FQEVSTJZSA-N 1 2 370.497 2.120 20 30 FEEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000110956627 543375665 /nfs/dbraw/zinc/37/56/65/543375665.db2.gz AUGRMPREGCFMNR-AEFFLSMTSA-N 1 2 357.454 2.039 20 30 FEEDLO Cc1ccc([C@H](CNC(=O)c2ccc(C#N)nc2)[NH+]2CCOCC2)cc1 ZINC000115037465 543550393 /nfs/dbraw/zinc/55/03/93/543550393.db2.gz MVQOLEGPLGYVCK-IBGZPJMESA-N 1 2 350.422 2.065 20 30 FEEDLO C=CCNC(=O)CN1CC[NH+](Cc2ccc(OC)c(OCC(=C)C)c2)CC1 ZINC000122254991 543704941 /nfs/dbraw/zinc/70/49/41/543704941.db2.gz QTVRGQCAXITZOO-UHFFFAOYSA-N 1 2 373.497 2.070 20 30 FEEDLO C=CCNC(=O)C[NH+]1CCN(Cc2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000122255437 543705252 /nfs/dbraw/zinc/70/52/52/543705252.db2.gz TYSNSICVAJGVJV-UHFFFAOYSA-N 1 2 373.831 2.361 20 30 FEEDLO COC(=O)C[C@H]1CSCC[N@@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000123575951 543769613 /nfs/dbraw/zinc/76/96/13/543769613.db2.gz CDGIHKIJTMWHFQ-AWEZNQCLSA-N 1 2 358.423 2.089 20 30 FEEDLO COC(=O)C[C@H]1CSCC[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000123575951 543769615 /nfs/dbraw/zinc/76/96/15/543769615.db2.gz CDGIHKIJTMWHFQ-AWEZNQCLSA-N 1 2 358.423 2.089 20 30 FEEDLO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000126138763 543920578 /nfs/dbraw/zinc/92/05/78/543920578.db2.gz JEUBICOLXXBKCH-FZKQIMNGSA-N 1 2 367.453 2.102 20 30 FEEDLO N#Cc1ccc([C@@H](O)C[NH+]2CCN(C(=O)c3c(F)cccc3F)CC2)cc1 ZINC000127397190 543990323 /nfs/dbraw/zinc/99/03/23/543990323.db2.gz ZBAZORCPVHHLOZ-SFHVURJKSA-N 1 2 371.387 2.328 20 30 FEEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)c2ccc3ccccc3c2)C1 ZINC000129644220 544121550 /nfs/dbraw/zinc/12/15/50/544121550.db2.gz YGFGDCDPTYJZJK-IBGZPJMESA-N 1 2 351.450 2.336 20 30 FEEDLO C=CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)c2ccc3ccccc3c2)C1 ZINC000129644220 544121551 /nfs/dbraw/zinc/12/15/51/544121551.db2.gz YGFGDCDPTYJZJK-IBGZPJMESA-N 1 2 351.450 2.336 20 30 FEEDLO CN(CCCn1cc[nH+]c1)C(=O)C(=O)Nc1cccc(OCCCC#N)c1 ZINC000129877900 544130564 /nfs/dbraw/zinc/13/05/64/544130564.db2.gz FHTHPQXMVXXBAH-UHFFFAOYSA-N 1 2 369.425 2.053 20 30 FEEDLO C=CCOc1cc(OC)ccc1C(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000130842268 544167712 /nfs/dbraw/zinc/16/77/12/544167712.db2.gz UHWBKSNHUYXBBF-UHFFFAOYSA-N 1 2 368.437 2.321 20 30 FEEDLO COc1ccc(C#N)cc1CN1CC[NH+](CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000132468401 544232053 /nfs/dbraw/zinc/23/20/53/544232053.db2.gz WUSVYXFTTCEOOU-KRWDZBQOSA-N 1 2 370.497 2.085 20 30 FEEDLO CCS(=O)(=O)N(C)C1CC[NH+](CC#Cc2ccccc2Cl)CC1 ZINC000135187802 544337419 /nfs/dbraw/zinc/33/74/19/544337419.db2.gz IFAOYHMQUVWBDE-UHFFFAOYSA-N 1 2 354.903 2.437 20 30 FEEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCOC3(CCOCC3)C2)c1C ZINC000135583263 544354315 /nfs/dbraw/zinc/35/43/15/544354315.db2.gz FYQTWOYRURRESA-UHFFFAOYSA-N 1 2 371.481 2.432 20 30 FEEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCOC3(CCOCC3)C2)c1C ZINC000135583263 544354317 /nfs/dbraw/zinc/35/43/17/544354317.db2.gz FYQTWOYRURRESA-UHFFFAOYSA-N 1 2 371.481 2.432 20 30 FEEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCS[C@H]3COCC[C@@H]32)cc1Cl ZINC000135519971 544350137 /nfs/dbraw/zinc/35/01/37/544350137.db2.gz GWRHFVQLEANABO-GJZGRUSLSA-N 1 2 351.859 2.356 20 30 FEEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCS[C@H]3COCC[C@@H]32)cc1Cl ZINC000135519971 544350138 /nfs/dbraw/zinc/35/01/38/544350138.db2.gz GWRHFVQLEANABO-GJZGRUSLSA-N 1 2 351.859 2.356 20 30 FEEDLO C=CCNc1ncc(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)s1 ZINC000136062686 544365692 /nfs/dbraw/zinc/36/56/92/544365692.db2.gz QRPTYKHMDXXJAW-MRXNPFEDSA-N 1 2 372.494 2.372 20 30 FEEDLO C=CCNc1ncc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)s1 ZINC000136062686 544365693 /nfs/dbraw/zinc/36/56/93/544365693.db2.gz QRPTYKHMDXXJAW-MRXNPFEDSA-N 1 2 372.494 2.372 20 30 FEEDLO NC(=[NH+]OCC(=O)Nc1cccc(F)c1)c1ccc(N2CCCCC2)nc1 ZINC000138961692 544398771 /nfs/dbraw/zinc/39/87/71/544398771.db2.gz HTQSZIDLSAOPMA-UHFFFAOYSA-N 1 2 371.416 2.487 20 30 FEEDLO C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2CC(=O)Nc2cccc(C#N)c2)C[C@@H](C)O1 ZINC000139096692 544400041 /nfs/dbraw/zinc/40/00/41/544400041.db2.gz HAGNOHSBMYJALE-MDZRGWNJSA-N 1 2 356.470 2.070 20 30 FEEDLO C[C@@H]1CN(C[C@@H]2CCC[N@H+]2CC(=O)Nc2cccc(C#N)c2)C[C@@H](C)O1 ZINC000139096692 544400043 /nfs/dbraw/zinc/40/00/43/544400043.db2.gz HAGNOHSBMYJALE-MDZRGWNJSA-N 1 2 356.470 2.070 20 30 FEEDLO CCc1nnc(CO[NH+]=C(N)c2cccc(Cn3nc(C)cc3C)c2)o1 ZINC000136642443 544375699 /nfs/dbraw/zinc/37/56/99/544375699.db2.gz MRCVOLPUKSPGPJ-UHFFFAOYSA-N 1 2 354.414 2.331 20 30 FEEDLO C[C@H]1CCN(C(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)C[C@@H]1n1cc[nH+]c1 ZINC000151420096 544538592 /nfs/dbraw/zinc/53/85/92/544538592.db2.gz RBJZDHJSRXMVSI-LRDDRELGSA-N 1 2 371.828 2.456 20 30 FEEDLO C[C@@H]1CCN(S(=O)(=O)c2c(F)cc(C#N)cc2F)C[C@@H]1n1cc[nH+]c1 ZINC000151239110 544520141 /nfs/dbraw/zinc/52/01/41/544520141.db2.gz SPQJJAIJTZNOBI-ABAIWWIYSA-N 1 2 366.393 2.305 20 30 FEEDLO N#Cc1cccc(NC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000151615807 544562883 /nfs/dbraw/zinc/56/28/83/544562883.db2.gz CJVGLDQEHMBSKT-UHFFFAOYSA-N 1 2 363.421 2.021 20 30 FEEDLO N#Cc1ccc([C@H]([NH2+][C@@H]2CCN(c3ccc(Cl)cc3)C2=O)C(N)=O)cc1 ZINC000151847753 544587650 /nfs/dbraw/zinc/58/76/50/544587650.db2.gz HHWBMUCIKXJGSW-SJORKVTESA-N 1 2 368.824 2.133 20 30 FEEDLO COCCN(C[C@@H](O)COc1ccc(C#N)cc1)c1[nH]c2ccccc2[nH+]1 ZINC000151967975 544601743 /nfs/dbraw/zinc/60/17/43/544601743.db2.gz OAKMEYSLVJLKPR-MRXNPFEDSA-N 1 2 366.421 2.327 20 30 FEEDLO C#CCOc1cc(F)ccc1NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000153646704 544803136 /nfs/dbraw/zinc/80/31/36/544803136.db2.gz ZTDYQVDMVRXGLW-INIZCTEOSA-N 1 2 361.417 2.166 20 30 FEEDLO N#Cc1ccc(OC2CN(C(=O)N[C@@H]3CCN(c4cccc[nH+]4)C3)C2)cc1 ZINC000153677807 544807382 /nfs/dbraw/zinc/80/73/82/544807382.db2.gz CLIFITITLHQGET-MRXNPFEDSA-N 1 2 363.421 2.005 20 30 FEEDLO Cc1ccc([C@@H](CNC(=O)c2ccc(C#N)c(O)c2)[NH+]2CCOCC2)cc1 ZINC000190794705 328233112 /nfs/dbraw/zinc/23/31/12/328233112.db2.gz NEFZLQANOYIFBB-LJQANCHMSA-N 1 2 365.433 2.376 20 30 FEEDLO N#Cc1ccc(Br)c(C[NH+]2CCN(c3cnccn3)CC2)c1 ZINC000191777987 328281075 /nfs/dbraw/zinc/28/10/75/328281075.db2.gz PYVWXIALNVMCKK-UHFFFAOYSA-N 1 2 358.243 2.433 20 30 FEEDLO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(Cc2ccc(C#N)c(F)c2)CC1 ZINC000191994359 328292397 /nfs/dbraw/zinc/29/23/97/328292397.db2.gz YJGZZDIPPMRPOZ-OAHLLOKOSA-N 1 2 358.461 2.262 20 30 FEEDLO CCN(CC)C(=O)[C@H](C)[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000027106536 324431021 /nfs/dbraw/zinc/43/10/21/324431021.db2.gz OZOHTIIAMAVLDV-AWEZNQCLSA-N 1 2 371.441 2.185 20 30 FEEDLO C[N@@H+]1CCO[C@@H](C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)C1 ZINC000081272013 325166768 /nfs/dbraw/zinc/16/67/68/325166768.db2.gz MSPCNOQGBDOOHV-GOSISDBHSA-N 1 2 364.405 2.080 20 30 FEEDLO C[N@H+]1CCO[C@@H](C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)C1 ZINC000081272013 325166773 /nfs/dbraw/zinc/16/67/73/325166773.db2.gz MSPCNOQGBDOOHV-GOSISDBHSA-N 1 2 364.405 2.080 20 30 FEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+](C)C[C@@H](O)COCc1ccccc1 ZINC000083172002 325215233 /nfs/dbraw/zinc/21/52/33/325215233.db2.gz QVHITMTULJVLNH-UXHICEINSA-N 1 2 368.433 2.282 20 30 FEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@H](O)COCc1ccccc1 ZINC000083172002 325215236 /nfs/dbraw/zinc/21/52/36/325215236.db2.gz QVHITMTULJVLNH-UXHICEINSA-N 1 2 368.433 2.282 20 30 FEEDLO N#Cc1ccccc1-c1ccc(CNC(=O)NCC[NH+]2CCOCC2)cc1 ZINC000091000722 325369862 /nfs/dbraw/zinc/36/98/62/325369862.db2.gz PDAFNTVLCWJWGX-UHFFFAOYSA-N 1 2 364.449 2.357 20 30 FEEDLO CC(C)N(C(=O)C[NH+]1CCN(c2ncccc2C#N)CC1)C1CCCC1 ZINC000101543782 325470831 /nfs/dbraw/zinc/47/08/31/325470831.db2.gz KVUXZUUKLUVFIS-UHFFFAOYSA-N 1 2 355.486 2.255 20 30 FEEDLO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(Cc2ccc(F)cc2C#N)CC1 ZINC000103491509 325522109 /nfs/dbraw/zinc/52/21/09/325522109.db2.gz WVETVZVSUMYSNI-OAHLLOKOSA-N 1 2 358.461 2.262 20 30 FEEDLO COC(=O)[C@H](Nc1ccc(N2CCOCC2)[nH+]c1C)c1cccc(C#N)c1 ZINC000120880223 326295790 /nfs/dbraw/zinc/29/57/90/326295790.db2.gz ISUQVMHQNSUPAY-LJQANCHMSA-N 1 2 366.421 2.425 20 30 FEEDLO CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(C#N)cc2F)c[nH+]1 ZINC000135791856 326647513 /nfs/dbraw/zinc/64/75/13/326647513.db2.gz HPUNRTNBDUTSLQ-UHFFFAOYSA-N 1 2 369.400 2.193 20 30 FEEDLO N#Cc1ccsc1N1CC[C@@H]([NH+]2CCC([C@H](O)C(F)(F)F)CC2)C1=O ZINC000141104643 326664726 /nfs/dbraw/zinc/66/47/26/326664726.db2.gz LIEFVPBXTYFTOO-OLZOCXBDSA-N 1 2 373.400 2.360 20 30 FEEDLO N#Cc1ccccc1S(=O)(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000157726263 326873255 /nfs/dbraw/zinc/87/32/55/326873255.db2.gz LSAQJEUJKFBAEB-UHFFFAOYSA-N 1 2 352.419 2.497 20 30 FEEDLO N#Cc1cc(N2CC[NH+](CC(=O)Nc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000165371994 327077768 /nfs/dbraw/zinc/07/77/68/327077768.db2.gz WEGNRFYUAOQGRS-UHFFFAOYSA-N 1 2 365.393 2.227 20 30 FEEDLO Cc1oc(NC(=O)C[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)c(C#N)c1C ZINC000171621284 327149072 /nfs/dbraw/zinc/14/90/72/327149072.db2.gz OXONSRWWMSPADV-AWEZNQCLSA-N 1 2 368.441 2.124 20 30 FEEDLO Cc1oc(NC(=O)C[N@H+]2CCC[C@H](c3nnc4n3CCC4)C2)c(C#N)c1C ZINC000171621284 327149073 /nfs/dbraw/zinc/14/90/73/327149073.db2.gz OXONSRWWMSPADV-AWEZNQCLSA-N 1 2 368.441 2.124 20 30 FEEDLO CNc1cc(N2CCC[C@@H]2CNC(=O)/C=C/c2cccc(C#N)c2)nc[nH+]1 ZINC000173431413 327256111 /nfs/dbraw/zinc/25/61/11/327256111.db2.gz YGFYDZHLTNHEIO-IWAYRVGRSA-N 1 2 362.437 2.188 20 30 FEEDLO CNc1cc(N2CCC[C@@H]2CNC(=O)/C=C/c2cccc(C#N)c2)[nH+]cn1 ZINC000173431413 327256112 /nfs/dbraw/zinc/25/61/12/327256112.db2.gz YGFYDZHLTNHEIO-IWAYRVGRSA-N 1 2 362.437 2.188 20 30 FEEDLO Cc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000177708101 327539465 /nfs/dbraw/zinc/53/94/65/327539465.db2.gz LCQMYZXEQBOAIM-YOEHRIQHSA-N 1 2 351.410 2.111 20 30 FEEDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)COc2ccccc2C#N)CC1 ZINC000265134231 329094746 /nfs/dbraw/zinc/09/47/46/329094746.db2.gz AHBDXBUFQRSQMY-MRXNPFEDSA-N 1 2 350.422 2.237 20 30 FEEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[NH+]1CCN(c2cccc(O)c2)CC1 ZINC000265962460 329176871 /nfs/dbraw/zinc/17/68/71/329176871.db2.gz RDENXRXTDZKEBD-HNNXBMFYSA-N 1 2 350.422 2.413 20 30 FEEDLO COC(=O)C1CCC(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000271660062 329712701 /nfs/dbraw/zinc/71/27/01/329712701.db2.gz KZKQDGWTVZAJNT-UHFFFAOYSA-N 1 2 369.465 2.182 20 30 FEEDLO N#Cc1ccc(N2CCC[C@H]([NH2+][C@H](C(N)=O)c3ccc(F)cc3)C2=O)cc1 ZINC000272425701 329780213 /nfs/dbraw/zinc/78/02/13/329780213.db2.gz IRPSKCCHUGLCHL-ROUUACIJSA-N 1 2 366.396 2.009 20 30 FEEDLO CCO[C@@H]1C[C@]([NH2+]CCC(=O)Nc2ccc(C#N)cc2)(C(=O)OC)C1(C)C ZINC000275568853 330064572 /nfs/dbraw/zinc/06/45/72/330064572.db2.gz OPPNZDBXIRFDJV-UZLBHIALSA-N 1 2 373.453 2.223 20 30 FEEDLO N#CCCCCCC(=O)OCC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000805696299 674350298 /nfs/dbraw/zinc/35/02/98/674350298.db2.gz CZSYJCXPFYHAAZ-UHFFFAOYSA-N 1 2 363.483 2.410 20 30 FEEDLO Cc1ncsc1C[N@H+]1C[C@@H](F)C[C@H]1CN(C)C(=O)c1c[nH]c(C#N)c1 ZINC000275532002 527501915 /nfs/dbraw/zinc/50/19/15/527501915.db2.gz QSDLHWSESUIEMP-ZFWWWQNUSA-N 1 2 361.446 2.336 20 30 FEEDLO Cc1ncsc1C[N@@H+]1C[C@@H](F)C[C@H]1CN(C)C(=O)c1c[nH]c(C#N)c1 ZINC000275532002 527501918 /nfs/dbraw/zinc/50/19/18/527501918.db2.gz QSDLHWSESUIEMP-ZFWWWQNUSA-N 1 2 361.446 2.336 20 30 FEEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cnn(-c2ccccc2)c1 ZINC000155657156 545555479 /nfs/dbraw/zinc/55/54/79/545555479.db2.gz FAFZVGYQMCXEET-INIZCTEOSA-N 1 2 359.437 2.245 20 30 FEEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cnn(-c2ccccc2)c1 ZINC000155657156 545555482 /nfs/dbraw/zinc/55/54/82/545555482.db2.gz FAFZVGYQMCXEET-INIZCTEOSA-N 1 2 359.437 2.245 20 30 FEEDLO Cc1oc(NC(=O)[C@@H](C)[NH+]2CCC(Cn3ccnn3)CC2)c(C#N)c1C ZINC000155992628 545590081 /nfs/dbraw/zinc/59/00/81/545590081.db2.gz DVTRLDYNNCYHJM-CYBMUJFWSA-N 1 2 356.430 2.099 20 30 FEEDLO COc1cccc(OCC[NH+]2CCN(C(=O)c3cccc(C#N)c3)CC2)c1 ZINC000156256847 545611884 /nfs/dbraw/zinc/61/18/84/545611884.db2.gz YJFWPFDZKRMKQJ-UHFFFAOYSA-N 1 2 365.433 2.404 20 30 FEEDLO CCO[C@@H]1C[C@H]([N@H+](C)CCS(=O)(=O)c2cccc(C#N)c2)C1(C)C ZINC000156782298 545658361 /nfs/dbraw/zinc/65/83/61/545658361.db2.gz MTFFVOWEXGSHHZ-DLBZAZTESA-N 1 2 350.484 2.467 20 30 FEEDLO CCO[C@@H]1C[C@H]([N@@H+](C)CCS(=O)(=O)c2cccc(C#N)c2)C1(C)C ZINC000156782298 545658362 /nfs/dbraw/zinc/65/83/62/545658362.db2.gz MTFFVOWEXGSHHZ-DLBZAZTESA-N 1 2 350.484 2.467 20 30 FEEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+](CCO)Cc1cccnc1 ZINC000157031541 545690988 /nfs/dbraw/zinc/69/09/88/545690988.db2.gz UXIRXIGVOSEITF-GNZRSQJKSA-N 1 2 358.486 2.195 20 30 FEEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+](CCO)Cc1cccnc1 ZINC000157031541 545690995 /nfs/dbraw/zinc/69/09/95/545690995.db2.gz UXIRXIGVOSEITF-GNZRSQJKSA-N 1 2 358.486 2.195 20 30 FEEDLO C=CC[N@@H+](C[C@H](O)c1ccccc1Br)[C@@H]1CCS(=O)(=O)C1 ZINC000157254027 545720383 /nfs/dbraw/zinc/72/03/83/545720383.db2.gz XQQOPCRWFOVXPC-DOMZBBRYSA-N 1 2 374.300 2.158 20 30 FEEDLO C=CC[N@H+](C[C@H](O)c1ccccc1Br)[C@@H]1CCS(=O)(=O)C1 ZINC000157254027 545720389 /nfs/dbraw/zinc/72/03/89/545720389.db2.gz XQQOPCRWFOVXPC-DOMZBBRYSA-N 1 2 374.300 2.158 20 30 FEEDLO C[C@@H]1CN(c2ccc(CNC(=O)NCC(C)(C)CCC#N)c[nH+]2)CCO1 ZINC000478323011 561164320 /nfs/dbraw/zinc/16/43/20/561164320.db2.gz INLIVICUYQIKSR-OAHLLOKOSA-N 1 2 359.474 2.436 20 30 FEEDLO N#Cc1ccc(CS(=O)(=O)NCCc2cn3ccccc3[nH+]2)c(F)c1 ZINC000478862143 561176473 /nfs/dbraw/zinc/17/64/73/561176473.db2.gz WGWJRPLKNKGJDD-UHFFFAOYSA-N 1 2 358.398 2.007 20 30 FEEDLO N#CC1(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCSCC1 ZINC000162440100 546139128 /nfs/dbraw/zinc/13/91/28/546139128.db2.gz BSCWVRUXZNPBEX-UHFFFAOYSA-N 1 2 357.395 2.300 20 30 FEEDLO N#CCCCCNC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000171732436 546222130 /nfs/dbraw/zinc/22/21/30/546222130.db2.gz ACTMPFLDMPIEFY-UHFFFAOYSA-N 1 2 357.458 2.083 20 30 FEEDLO CCc1cc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc(=O)[nH]1 ZINC000479842704 561198102 /nfs/dbraw/zinc/19/81/02/561198102.db2.gz QDVWVDCGWQJNFE-UHFFFAOYSA-N 1 2 350.422 2.179 20 30 FEEDLO N#Cc1ccc(CS(=O)(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)c(F)c1 ZINC000480739264 561215606 /nfs/dbraw/zinc/21/56/06/561215606.db2.gz MIXCWKDTXSEBMM-INIZCTEOSA-N 1 2 361.398 2.075 20 30 FEEDLO CCOc1cccnc1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000482088076 561248366 /nfs/dbraw/zinc/24/83/66/561248366.db2.gz ILVMQZYQDNUJOW-UHFFFAOYSA-N 1 2 350.422 2.310 20 30 FEEDLO C[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1ccc(C#N)cc1 ZINC000182207434 547453604 /nfs/dbraw/zinc/45/36/04/547453604.db2.gz QXOICEXDCCTLDY-UHFFFAOYSA-N 1 2 359.407 2.372 20 30 FEEDLO C[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1ccc(C#N)cc1 ZINC000182207434 547453609 /nfs/dbraw/zinc/45/36/09/547453609.db2.gz QXOICEXDCCTLDY-UHFFFAOYSA-N 1 2 359.407 2.372 20 30 FEEDLO N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CC[C@](O)(C(F)(F)F)C3)C2=O)cc1 ZINC000182831366 547558967 /nfs/dbraw/zinc/55/89/67/547558967.db2.gz TZTSFERLZSNPKJ-GDBMZVCRSA-N 1 2 353.344 2.053 20 30 FEEDLO N#Cc1ccc(N2CCC[C@@H]([N@H+]3CC[C@](O)(C(F)(F)F)C3)C2=O)cc1 ZINC000182831366 547558969 /nfs/dbraw/zinc/55/89/69/547558969.db2.gz TZTSFERLZSNPKJ-GDBMZVCRSA-N 1 2 353.344 2.053 20 30 FEEDLO CCOC(=O)[C@]1(Cc2ccccc2)CCC[N@@H+]1CC(=O)N(CC)CCC#N ZINC000484301569 561295904 /nfs/dbraw/zinc/29/59/04/561295904.db2.gz VWMWEEFDORKHQY-OAQYLSRUSA-N 1 2 371.481 2.389 20 30 FEEDLO CCOC(=O)[C@]1(Cc2ccccc2)CCC[N@H+]1CC(=O)N(CC)CCC#N ZINC000484301569 561295905 /nfs/dbraw/zinc/29/59/05/561295905.db2.gz VWMWEEFDORKHQY-OAQYLSRUSA-N 1 2 371.481 2.389 20 30 FEEDLO Cc1nc(N2CCN(C(=O)Nc3ccccc3O[C@H](C)C#N)CC2)cc[nH+]1 ZINC000184434807 547826796 /nfs/dbraw/zinc/82/67/96/547826796.db2.gz JLCAHTGOVCNCSE-CQSZACIVSA-N 1 2 366.425 2.430 20 30 FEEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000185542862 548000334 /nfs/dbraw/zinc/00/03/34/548000334.db2.gz SJEWBVPYEIMXPX-DLBZAZTESA-N 1 2 373.501 2.001 20 30 FEEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000185542862 548000337 /nfs/dbraw/zinc/00/03/37/548000337.db2.gz SJEWBVPYEIMXPX-DLBZAZTESA-N 1 2 373.501 2.001 20 30 FEEDLO C[C@]1(C(N)=O)CCCC[N@@H+]1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000185896356 548053941 /nfs/dbraw/zinc/05/39/41/548053941.db2.gz LEJNKGYAGPXXDI-HXUWFJFHSA-N 1 2 352.438 2.468 20 30 FEEDLO C[C@]1(C(N)=O)CCCC[N@H+]1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000185896356 548053945 /nfs/dbraw/zinc/05/39/45/548053945.db2.gz LEJNKGYAGPXXDI-HXUWFJFHSA-N 1 2 352.438 2.468 20 30 FEEDLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C#N)c1ccc(F)cc1 ZINC000485772319 561327543 /nfs/dbraw/zinc/32/75/43/561327543.db2.gz DGVKJBPBLZAKGQ-IRXDYDNUSA-N 1 2 371.416 2.003 20 30 FEEDLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C#N)c1ccc(F)cc1 ZINC000485772319 561327544 /nfs/dbraw/zinc/32/75/44/561327544.db2.gz DGVKJBPBLZAKGQ-IRXDYDNUSA-N 1 2 371.416 2.003 20 30 FEEDLO N#Cc1ccc(Cl)c(S(=O)(=O)NCCc2cn3ccccc3[nH+]2)c1 ZINC000186226810 548104063 /nfs/dbraw/zinc/10/40/63/548104063.db2.gz PYGHUMPXVVGOKP-UHFFFAOYSA-N 1 2 360.826 2.380 20 30 FEEDLO N#CCOc1ccc(CNC(=O)N2CCCN(c3cccc[nH+]3)CC2)cc1 ZINC000186418331 548132058 /nfs/dbraw/zinc/13/20/58/548132058.db2.gz QZNBCBJMNVPCPQ-UHFFFAOYSA-N 1 2 365.437 2.406 20 30 FEEDLO C=CCN(c1nc(N(CC=C)C2CC2)[nH+]c(N2CCOCC2)n1)C1CC1 ZINC000485974881 561333961 /nfs/dbraw/zinc/33/39/61/561333961.db2.gz CHYVBYXCUVJPDV-UHFFFAOYSA-N 1 2 356.474 2.018 20 30 FEEDLO C=CCN(c1nc(N2CCOCC2)nc(N(CC=C)C2CC2)[nH+]1)C1CC1 ZINC000485974881 561333963 /nfs/dbraw/zinc/33/39/63/561333963.db2.gz CHYVBYXCUVJPDV-UHFFFAOYSA-N 1 2 356.474 2.018 20 30 FEEDLO C=CCOCCCC(=O)Nc1cccc(C[NH+]2CCN(C(C)=O)CC2)c1 ZINC000187159115 548252257 /nfs/dbraw/zinc/25/22/57/548252257.db2.gz UZZZRFGINRAORS-UHFFFAOYSA-N 1 2 359.470 2.272 20 30 FEEDLO Cc1nc(NC(=O)[C@@H](c2c[nH+]cn2C)N(C)C)sc1SCC#N ZINC000486128347 561338836 /nfs/dbraw/zinc/33/88/36/561338836.db2.gz NJDQCIIWRWHCCT-LLVKDONJSA-N 1 2 350.473 2.042 20 30 FEEDLO C=C[C@@](C)(CC)C(=O)Nc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1 ZINC000191813354 548351918 /nfs/dbraw/zinc/35/19/18/548351918.db2.gz HUANIBGRNNHTKH-SFHVURJKSA-N 1 2 365.499 2.164 20 30 FEEDLO Cc1cc(C)n(-c2ccc(C(N)=[NH+]OCCO[C@@H]3CCCCO3)cn2)n1 ZINC000192838427 548374534 /nfs/dbraw/zinc/37/45/34/548374534.db2.gz SGEMNKMFHZPOGF-QGZVFWFLSA-N 1 2 359.430 2.064 20 30 FEEDLO C=CCSCCNC(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000194636313 548510266 /nfs/dbraw/zinc/51/02/66/548510266.db2.gz DNMDRHOZZSOXKD-UHFFFAOYSA-N 1 2 359.499 2.081 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccccc1 ZINC000245409116 548910739 /nfs/dbraw/zinc/91/07/39/548910739.db2.gz KOXRFIFOLRCUPY-RXVVDRJESA-N 1 2 370.497 2.325 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccccc1 ZINC000245409116 548910743 /nfs/dbraw/zinc/91/07/43/548910743.db2.gz KOXRFIFOLRCUPY-RXVVDRJESA-N 1 2 370.497 2.325 20 30 FEEDLO CO[C@@H]1C[N@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@@H]1OC ZINC000488060952 561382494 /nfs/dbraw/zinc/38/24/94/561382494.db2.gz JTRYMQFTPFYZEQ-GASCZTMLSA-N 1 2 363.483 2.173 20 30 FEEDLO CO[C@@H]1C[N@@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@@H]1OC ZINC000488060952 561382495 /nfs/dbraw/zinc/38/24/95/561382495.db2.gz JTRYMQFTPFYZEQ-GASCZTMLSA-N 1 2 363.483 2.173 20 30 FEEDLO CO[C@@H]1CC[C@@H]2OCC[N@H+](CC(=O)Nc3ccc(C#N)c(Cl)c3)[C@H]2C1 ZINC000246074460 549046941 /nfs/dbraw/zinc/04/69/41/549046941.db2.gz BTYHBOFAJIFRTF-PVAVHDDUSA-N 1 2 363.845 2.418 20 30 FEEDLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](CC(=O)Nc3ccc(C#N)c(Cl)c3)[C@H]2C1 ZINC000246074460 549046943 /nfs/dbraw/zinc/04/69/43/549046943.db2.gz BTYHBOFAJIFRTF-PVAVHDDUSA-N 1 2 363.845 2.418 20 30 FEEDLO CO[C@@H]1CC[C@H]2OCC[N@H+](CC(=O)N(CCC#N)c3ccccc3)[C@H]2C1 ZINC000246575239 549165428 /nfs/dbraw/zinc/16/54/28/549165428.db2.gz LZHJJFVOUMBWIJ-CEXWTWQISA-N 1 2 357.454 2.202 20 30 FEEDLO CO[C@@H]1CC[C@H]2OCC[N@@H+](CC(=O)N(CCC#N)c3ccccc3)[C@H]2C1 ZINC000246575239 549165433 /nfs/dbraw/zinc/16/54/33/549165433.db2.gz LZHJJFVOUMBWIJ-CEXWTWQISA-N 1 2 357.454 2.202 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)N2CC[NH+](CCc3ccccc3)CC2)cc1F ZINC000489089867 561403072 /nfs/dbraw/zinc/40/30/72/561403072.db2.gz SBWURVMJYVQOQX-UHFFFAOYSA-N 1 2 373.453 2.246 20 30 FEEDLO Cc1ncc(S(=O)(=O)NCc2cn3cc(Cl)ccc3[nH+]2)cc1C#N ZINC000489106636 561403526 /nfs/dbraw/zinc/40/35/26/561403526.db2.gz NZKCICHCRSZOGN-UHFFFAOYSA-N 1 2 361.814 2.041 20 30 FEEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000247775785 549379544 /nfs/dbraw/zinc/37/95/44/549379544.db2.gz QNIXUHRJQQLBGY-CHWSQXEVSA-N 1 2 370.482 2.364 20 30 FEEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCC[C@@H](n2cncn2)C1 ZINC000247775785 549379553 /nfs/dbraw/zinc/37/95/53/549379553.db2.gz QNIXUHRJQQLBGY-CHWSQXEVSA-N 1 2 370.482 2.364 20 30 FEEDLO N#Cc1ccc(N2C(=O)C[C@H]([N@@H+]3CC[C@]4(C3)OCc3ccccc34)C2=O)cc1 ZINC000248632685 549471126 /nfs/dbraw/zinc/47/11/26/549471126.db2.gz IIBFODLOSOAKDJ-SIKLNZKXSA-N 1 2 373.412 2.322 20 30 FEEDLO N#Cc1ccc(N2C(=O)C[C@H]([N@H+]3CC[C@]4(C3)OCc3ccccc34)C2=O)cc1 ZINC000248632685 549471130 /nfs/dbraw/zinc/47/11/30/549471130.db2.gz IIBFODLOSOAKDJ-SIKLNZKXSA-N 1 2 373.412 2.322 20 30 FEEDLO Cn1cnnc1[C@H]1CCC[N@@H+]1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000248782509 549501456 /nfs/dbraw/zinc/50/14/56/549501456.db2.gz VOZDQZBKKNGPBN-SJORKVTESA-N 1 2 350.426 2.019 20 30 FEEDLO Cn1cnnc1[C@H]1CCC[N@H+]1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000248782509 549501460 /nfs/dbraw/zinc/50/14/60/549501460.db2.gz VOZDQZBKKNGPBN-SJORKVTESA-N 1 2 350.426 2.019 20 30 FEEDLO COc1ccc(C[N@H+](C)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)cc1O ZINC000263989166 549964470 /nfs/dbraw/zinc/96/44/70/549964470.db2.gz JBGGXODVGFEZTP-INIZCTEOSA-N 1 2 365.389 2.036 20 30 FEEDLO COc1ccc(C[N@@H+](C)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)cc1O ZINC000263989166 549964473 /nfs/dbraw/zinc/96/44/73/549964473.db2.gz JBGGXODVGFEZTP-INIZCTEOSA-N 1 2 365.389 2.036 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+](C)[C@@H]2CCN(C)C2=O)c1 ZINC000265658813 550013359 /nfs/dbraw/zinc/01/33/59/550013359.db2.gz RLRBWWMRIKKPKO-FUHWJXTLSA-N 1 2 356.470 2.101 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+](C)[C@@H]2CCN(C)C2=O)c1 ZINC000265658813 550013361 /nfs/dbraw/zinc/01/33/61/550013361.db2.gz RLRBWWMRIKKPKO-FUHWJXTLSA-N 1 2 356.470 2.101 20 30 FEEDLO CCC(CC)C[N@H+](CCC#N)CC(=O)N[C@@H](C(=O)NC)c1ccccc1 ZINC000266763499 550024162 /nfs/dbraw/zinc/02/41/62/550024162.db2.gz UNDKQYMZWMRFTL-LJQANCHMSA-N 1 2 358.486 2.242 20 30 FEEDLO CCC(CC)C[N@@H+](CCC#N)CC(=O)N[C@@H](C(=O)NC)c1ccccc1 ZINC000266763499 550024163 /nfs/dbraw/zinc/02/41/63/550024163.db2.gz UNDKQYMZWMRFTL-LJQANCHMSA-N 1 2 358.486 2.242 20 30 FEEDLO CC1(C)C[N@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)CCS1 ZINC000267605024 550033527 /nfs/dbraw/zinc/03/35/27/550033527.db2.gz MPLHOQGYHNOXFL-CYBMUJFWSA-N 1 2 356.451 2.339 20 30 FEEDLO CC1(C)C[N@@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)CCS1 ZINC000267605024 550033529 /nfs/dbraw/zinc/03/35/29/550033529.db2.gz MPLHOQGYHNOXFL-CYBMUJFWSA-N 1 2 356.451 2.339 20 30 FEEDLO N#Cc1ccc(NC(=O)C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)c(Cl)c1 ZINC000491591763 561446842 /nfs/dbraw/zinc/44/68/42/561446842.db2.gz OBGLEZIBBKFIOA-UHFFFAOYSA-N 1 2 357.801 2.279 20 30 FEEDLO N#Cc1ccc(NC(=O)C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)c(Cl)c1 ZINC000491591763 561446843 /nfs/dbraw/zinc/44/68/43/561446843.db2.gz OBGLEZIBBKFIOA-UHFFFAOYSA-N 1 2 357.801 2.279 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@@H]3CCC[C@H]4OCC[C@H]43)CC2)cc1 ZINC000268518679 550081028 /nfs/dbraw/zinc/08/10/28/550081028.db2.gz ZNSSGHLHICWFQR-XUVXKRRUSA-N 1 2 368.481 2.343 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@H](O)CCc3ccccc3)CC2)cc1 ZINC000492982096 561453853 /nfs/dbraw/zinc/45/38/53/561453853.db2.gz ARCKWKWJOLPLHZ-OAQYLSRUSA-N 1 2 363.461 2.196 20 30 FEEDLO N#Cc1cccc(OCC(=O)NCc2ccccc2C[NH+]2CCOCC2)c1 ZINC000492321040 561450791 /nfs/dbraw/zinc/45/07/91/561450791.db2.gz RKXGESUQQDCLJK-UHFFFAOYSA-N 1 2 365.433 2.086 20 30 FEEDLO C#CC[C@H](NC(=O)NCc1ccc(N2CCOCC2)[nH+]c1)c1ccccc1 ZINC000270100850 550249230 /nfs/dbraw/zinc/24/92/30/550249230.db2.gz FGUDJXGMYAIOBM-IBGZPJMESA-N 1 2 364.449 2.482 20 30 FEEDLO COc1cc(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)cc2c1OCO2 ZINC000271041971 550334643 /nfs/dbraw/zinc/33/46/43/550334643.db2.gz NJOUCCCVEGBVID-UHFFFAOYSA-N 1 2 352.394 2.013 20 30 FEEDLO C=CC[N@@H+](Cc1cc(OC)c(OCC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 ZINC000271159096 550346572 /nfs/dbraw/zinc/34/65/72/550346572.db2.gz OCSGLXKODBPZNT-HNNXBMFYSA-N 1 2 369.483 2.278 20 30 FEEDLO C=CC[N@H+](Cc1cc(OC)c(OCC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 ZINC000271159096 550346575 /nfs/dbraw/zinc/34/65/75/550346575.db2.gz OCSGLXKODBPZNT-HNNXBMFYSA-N 1 2 369.483 2.278 20 30 FEEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cnc([C@@H]2CCCO2)s1 ZINC000271323931 550364905 /nfs/dbraw/zinc/36/49/05/550364905.db2.gz ZKNZAVQTYJLOMI-BBRMVZONSA-N 1 2 370.482 2.367 20 30 FEEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cnc([C@@H]2CCCO2)s1 ZINC000271323931 550364906 /nfs/dbraw/zinc/36/49/06/550364906.db2.gz ZKNZAVQTYJLOMI-BBRMVZONSA-N 1 2 370.482 2.367 20 30 FEEDLO C#CCCOc1ccc(CNc2cnn(CC[NH+]3CCOCC3)c2)cc1 ZINC000271866042 550407308 /nfs/dbraw/zinc/40/73/08/550407308.db2.gz WCZMFBQDUPQKHU-UHFFFAOYSA-N 1 2 354.454 2.230 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)CN1CCc2c([nH+]cn2-c2ccccc2)C1 ZINC000272603185 550460341 /nfs/dbraw/zinc/46/03/41/550460341.db2.gz VJKLJTJNUFHQCF-HXUWFJFHSA-N 1 2 351.454 2.285 20 30 FEEDLO CO[C@@H](C)c1noc(C[N@@H+]2CCCN(c3nccc(C)c3C#N)CC2)n1 ZINC000273405530 550497264 /nfs/dbraw/zinc/49/72/64/550497264.db2.gz WUXYFNCVOLQGFT-AWEZNQCLSA-N 1 2 356.430 2.064 20 30 FEEDLO CO[C@@H](C)c1noc(C[N@H+]2CCCN(c3nccc(C)c3C#N)CC2)n1 ZINC000273405530 550497266 /nfs/dbraw/zinc/49/72/66/550497266.db2.gz WUXYFNCVOLQGFT-AWEZNQCLSA-N 1 2 356.430 2.064 20 30 FEEDLO C=CCNC(=O)c1ccc(N2CC[NH+]([C@H](C)c3nccs3)CC2)nc1 ZINC000274259360 550530016 /nfs/dbraw/zinc/53/00/16/550530016.db2.gz AXVKWSWCRXLUPX-CQSZACIVSA-N 1 2 357.483 2.337 20 30 FEEDLO C=CCn1c(=O)c2ccc(C(=O)NCC3([NH+](C)C)CCC3)cc2[nH]c1=S ZINC000275709572 550573724 /nfs/dbraw/zinc/57/37/24/550573724.db2.gz CHKSNZJHZKDTON-UHFFFAOYSA-N 1 2 372.494 2.085 20 30 FEEDLO Cc1cc(NC(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)nn1CCC#N ZINC000275811121 550574597 /nfs/dbraw/zinc/57/45/97/550574597.db2.gz YJWOPGYXJWPVJD-UHFFFAOYSA-N 1 2 369.429 2.289 20 30 FEEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@H](C)c1nncn1C ZINC000494783982 561476412 /nfs/dbraw/zinc/47/64/12/561476412.db2.gz ISAMNWKCTVSWNM-CHWSQXEVSA-N 1 2 358.471 2.356 20 30 FEEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000278631277 550806303 /nfs/dbraw/zinc/80/63/03/550806303.db2.gz YFGYXKNUSPBMKE-HSALFYBXSA-N 1 2 358.482 2.466 20 30 FEEDLO Cc1nc(C#N)c(N2CCC(C(=O)NCc3ccn4cc[nH+]c4c3)CC2)o1 ZINC000279867289 550937547 /nfs/dbraw/zinc/93/75/47/550937547.db2.gz KUZYLDBZNOZKMJ-UHFFFAOYSA-N 1 2 364.409 2.035 20 30 FEEDLO COc1ccccc1-n1nccc1C[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000281032600 551056558 /nfs/dbraw/zinc/05/65/58/551056558.db2.gz GCLXZZKPLYOEQD-UHFFFAOYSA-N 1 2 374.448 2.470 20 30 FEEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+](C)[C@H]1CCN(CC=C)C1=O ZINC000281243680 551077219 /nfs/dbraw/zinc/07/72/19/551077219.db2.gz GHJXTODHHMFZRD-RDJZCZTQSA-N 1 2 361.511 2.370 20 30 FEEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+](C)[C@H]1CCN(CC=C)C1=O ZINC000281243680 551077220 /nfs/dbraw/zinc/07/72/20/551077220.db2.gz GHJXTODHHMFZRD-RDJZCZTQSA-N 1 2 361.511 2.370 20 30 FEEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC000281590787 551117386 /nfs/dbraw/zinc/11/73/86/551117386.db2.gz QLSBDDVXRCXQOC-DOTOQJQBSA-N 1 2 364.515 2.260 20 30 FEEDLO C[C@H](Cn1cc[nH+]c1)NS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000282989932 551294375 /nfs/dbraw/zinc/29/43/75/551294375.db2.gz XYAFHKVUYKRBIQ-SNVBAGLBSA-N 1 2 358.345 2.141 20 30 FEEDLO N#Cc1ccc(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)nc1Cl ZINC000283172025 551323032 /nfs/dbraw/zinc/32/30/32/551323032.db2.gz WHKZDBMPZRCHNN-KRWDZBQOSA-N 1 2 370.840 2.410 20 30 FEEDLO CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000283919466 551449996 /nfs/dbraw/zinc/44/99/96/551449996.db2.gz JYUIJEPPFSVHQL-UHFFFAOYSA-N 1 2 374.452 2.262 20 30 FEEDLO Cn1cc[nH+]c1[C@@H](NC(=O)C(=O)NCCCCC#N)c1ccc(Cl)cc1 ZINC000284614078 551590491 /nfs/dbraw/zinc/59/04/91/551590491.db2.gz HQBYFTLLAVDTDC-HNNXBMFYSA-N 1 2 373.844 2.089 20 30 FEEDLO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CO[NH+]=C(N)[C@@H]1CCCO1 ZINC000284621630 551592688 /nfs/dbraw/zinc/59/26/88/551592688.db2.gz ZQOPVHLCMZJXEF-ZDUSSCGKSA-N 1 2 360.241 2.420 20 30 FEEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cc(=O)oc3cc(O)c(Cl)cc23)C1=O ZINC000286200682 551860496 /nfs/dbraw/zinc/86/04/96/551860496.db2.gz PZRUJGVQOXTWTC-CQSZACIVSA-N 1 2 362.813 2.371 20 30 FEEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cc(=O)oc3cc(O)c(Cl)cc23)C1=O ZINC000286200682 551860497 /nfs/dbraw/zinc/86/04/97/551860497.db2.gz PZRUJGVQOXTWTC-CQSZACIVSA-N 1 2 362.813 2.371 20 30 FEEDLO C#CCOc1cc(F)ccc1NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000287191652 551974854 /nfs/dbraw/zinc/97/48/54/551974854.db2.gz QANBMNYONNKJPE-HOCLYGCPSA-N 1 2 361.417 2.165 20 30 FEEDLO CN(CC[NH+]1CCOCC1)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000287355549 551993666 /nfs/dbraw/zinc/99/36/66/551993666.db2.gz XSPVUGYRDDWJBW-UHFFFAOYSA-N 1 2 367.247 2.117 20 30 FEEDLO C=C(CNC(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1)c1ccccc1 ZINC000288083599 552087989 /nfs/dbraw/zinc/08/79/89/552087989.db2.gz SCHWNIBGBLOOGW-SFHVURJKSA-N 1 2 370.497 2.038 20 30 FEEDLO C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000288126529 552095859 /nfs/dbraw/zinc/09/58/59/552095859.db2.gz KJLPSYXFENHNMD-PMACEKPBSA-N 1 2 355.482 2.127 20 30 FEEDLO C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000288126538 552095879 /nfs/dbraw/zinc/09/58/79/552095879.db2.gz KJLPSYXFENHNMD-VQTJNVASSA-N 1 2 355.482 2.127 20 30 FEEDLO N#Cc1cccc(OCCCCC(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)c1 ZINC000499695883 561556324 /nfs/dbraw/zinc/55/63/24/561556324.db2.gz SNSJTHYCVHWDMC-UHFFFAOYSA-N 1 2 367.453 2.175 20 30 FEEDLO CCO[C@H]1C[C@]([NH2+]CCCC2(C#N)CCOCC2)(C(=O)OC)C1(C)C ZINC000499702891 561556449 /nfs/dbraw/zinc/55/64/49/561556449.db2.gz FZDUHGYOXJRWIE-KXBFYZLASA-N 1 2 352.475 2.423 20 30 FEEDLO Cc1nsc(N2CC[NH+](C[C@@H](O)c3cc(F)ccc3F)CC2)c1C#N ZINC000289397033 552314355 /nfs/dbraw/zinc/31/43/55/552314355.db2.gz FDJBBJIOGXVKDM-MRXNPFEDSA-N 1 2 364.421 2.457 20 30 FEEDLO N#Cc1cncc(S(=O)(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)c1 ZINC000289995416 552411341 /nfs/dbraw/zinc/41/13/41/552411341.db2.gz YRUXNMMSZZKWLJ-INIZCTEOSA-N 1 2 360.439 2.052 20 30 FEEDLO CCCO[C@H]1CCC[N@H+](CCS(=O)(=O)c2ccc(C#N)cn2)CC1 ZINC000290147580 552434850 /nfs/dbraw/zinc/43/48/50/552434850.db2.gz CNYGNJBLNRFSRN-INIZCTEOSA-N 1 2 351.472 2.008 20 30 FEEDLO CCCO[C@H]1CCC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cn2)CC1 ZINC000290147580 552434853 /nfs/dbraw/zinc/43/48/53/552434853.db2.gz CNYGNJBLNRFSRN-INIZCTEOSA-N 1 2 351.472 2.008 20 30 FEEDLO C=C[C@@H](CO)NC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000290572457 552500183 /nfs/dbraw/zinc/50/01/83/552500183.db2.gz KZCHGJMVRIXCSX-GJZGRUSLSA-N 1 2 353.260 2.249 20 30 FEEDLO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)Nc1sccc1C#N ZINC000293353097 552814682 /nfs/dbraw/zinc/81/46/82/552814682.db2.gz JMHMHRXUIHRULM-CQSZACIVSA-N 1 2 368.462 2.291 20 30 FEEDLO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)Nc1sccc1C#N ZINC000293353097 552814683 /nfs/dbraw/zinc/81/46/83/552814683.db2.gz JMHMHRXUIHRULM-CQSZACIVSA-N 1 2 368.462 2.291 20 30 FEEDLO C[N@H+](Cc1cc(C#N)ccc1Br)[C@@H]1CCN2CCO[C@H]1C2 ZINC000295313737 552985503 /nfs/dbraw/zinc/98/55/03/552985503.db2.gz GHDROYGGNRLIRJ-CVEARBPZSA-N 1 2 350.260 2.226 20 30 FEEDLO C[N@@H+](Cc1cc(C#N)ccc1Br)[C@@H]1CCN2CCO[C@H]1C2 ZINC000295313737 552985504 /nfs/dbraw/zinc/98/55/04/552985504.db2.gz GHDROYGGNRLIRJ-CVEARBPZSA-N 1 2 350.260 2.226 20 30 FEEDLO CC[C@H](C)[C@H](NC(=O)C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1)C(=O)OC ZINC000502555467 561620988 /nfs/dbraw/zinc/62/09/88/561620988.db2.gz XFJHKBKDZXRAMB-YWZLYKJASA-N 1 2 369.465 2.351 20 30 FEEDLO CC[C@H](C)[C@H](NC(=O)C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1)C(=O)OC ZINC000502555467 561620989 /nfs/dbraw/zinc/62/09/89/561620989.db2.gz XFJHKBKDZXRAMB-YWZLYKJASA-N 1 2 369.465 2.351 20 30 FEEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@@H](OC(=O)N(C)C)C1 ZINC000296680485 553197242 /nfs/dbraw/zinc/19/72/42/553197242.db2.gz LIJNXFWXFTWWEU-DOTOQJQBSA-N 1 2 358.442 2.094 20 30 FEEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@@H](OC(=O)N(C)C)C1 ZINC000296680485 553197245 /nfs/dbraw/zinc/19/72/45/553197245.db2.gz LIJNXFWXFTWWEU-DOTOQJQBSA-N 1 2 358.442 2.094 20 30 FEEDLO C[C@@H]1C[NH+]=C(N2CCN(c3ncc(Br)cc3C#N)CC2)S1 ZINC000297280658 553272864 /nfs/dbraw/zinc/27/28/64/553272864.db2.gz XHQBEVXTNJIMKW-SNVBAGLBSA-N 1 2 366.288 2.329 20 30 FEEDLO Cc1nsc(NC(=O)NCc2ccc(N3CCO[C@H](C)C3)[nH+]c2)c1C#N ZINC000297294488 553274932 /nfs/dbraw/zinc/27/49/32/553274932.db2.gz AUPZWEKDCTUIGM-LLVKDONJSA-N 1 2 372.454 2.265 20 30 FEEDLO C=CCCN(C)C(=O)C(=O)N1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000297809501 553341633 /nfs/dbraw/zinc/34/16/33/553341633.db2.gz KNAREMJAGIQUAG-MRXNPFEDSA-N 1 2 354.454 2.370 20 30 FEEDLO C#CC[N@H+](Cc1ccc(F)cc1)[C@H](C)C(=O)N1CCC(C(=O)OCC)CC1 ZINC000298061999 553379151 /nfs/dbraw/zinc/37/91/51/553379151.db2.gz IWJCMHPBOIYJFT-MRXNPFEDSA-N 1 2 374.456 2.451 20 30 FEEDLO C#CC[N@@H+](Cc1ccc(F)cc1)[C@H](C)C(=O)N1CCC(C(=O)OCC)CC1 ZINC000298061999 553379152 /nfs/dbraw/zinc/37/91/52/553379152.db2.gz IWJCMHPBOIYJFT-MRXNPFEDSA-N 1 2 374.456 2.451 20 30 FEEDLO CC(C)(C#N)c1ccc(NC(=O)C(=O)NCCNc2cccc[nH+]2)cc1 ZINC000298606331 553447985 /nfs/dbraw/zinc/44/79/85/553447985.db2.gz GEVZTPZCMGCCME-UHFFFAOYSA-N 1 2 351.410 2.050 20 30 FEEDLO N#CCOc1ccccc1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000299106024 553516188 /nfs/dbraw/zinc/51/61/88/553516188.db2.gz WVUYUWIFFHESKG-UHFFFAOYSA-N 1 2 360.417 2.419 20 30 FEEDLO CCOC(=O)N1CCC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)CC1 ZINC000299543879 553578828 /nfs/dbraw/zinc/57/88/28/553578828.db2.gz JSOHGMIDVOCMEZ-KRWDZBQOSA-N 1 2 372.469 2.486 20 30 FEEDLO CCOC(=O)N1CCC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)CC1 ZINC000299543879 553578829 /nfs/dbraw/zinc/57/88/29/553578829.db2.gz JSOHGMIDVOCMEZ-KRWDZBQOSA-N 1 2 372.469 2.486 20 30 FEEDLO N#Cc1ccc(N2CCC[C@H](NC(=O)Cc3cn4ccccc4[nH+]3)C2=O)cc1 ZINC000505636096 561676095 /nfs/dbraw/zinc/67/60/95/561676095.db2.gz WQOJXUSYPCQQQM-SFHVURJKSA-N 1 2 373.416 2.060 20 30 FEEDLO C[NH+](C)C[C@H](NC(=O)N[C@@H]1CCCS(=O)(=O)C1)c1ccc(Cl)cc1 ZINC000328689163 553807662 /nfs/dbraw/zinc/80/76/62/553807662.db2.gz HYRXTFPYLIAOJN-CABCVRRESA-N 1 2 373.906 2.024 20 30 FEEDLO CC(C)c1nc(CCNC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)cs1 ZINC000328886439 553838592 /nfs/dbraw/zinc/83/85/92/553838592.db2.gz OWHGYQAMYIXBIT-CABCVRRESA-N 1 2 352.504 2.128 20 30 FEEDLO CC(C)c1nc(CCNC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)cs1 ZINC000328886439 553838594 /nfs/dbraw/zinc/83/85/94/553838594.db2.gz OWHGYQAMYIXBIT-CABCVRRESA-N 1 2 352.504 2.128 20 30 FEEDLO CC(=O)N1CCC(NC(=O)CN2CCC[C@@H]2c2[nH]c3c([nH+]2)CCCC3)CC1 ZINC000328999005 553861679 /nfs/dbraw/zinc/86/16/79/553861679.db2.gz GGRUJKIGXMHJKE-GOSISDBHSA-N 1 2 373.501 2.393 20 30 FEEDLO CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000329014119 553864669 /nfs/dbraw/zinc/86/46/69/553864669.db2.gz PPNXKCHXEJCYHD-UHFFFAOYSA-N 1 2 361.471 2.370 20 30 FEEDLO CC[N@H+](C[C@H](C)C#N)[C@H](C)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F ZINC000506055091 561688743 /nfs/dbraw/zinc/68/87/43/561688743.db2.gz AAMYBYLNQDOJNF-GHMZBOCLSA-N 1 2 370.375 2.029 20 30 FEEDLO CC[N@@H+](C[C@H](C)C#N)[C@H](C)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F ZINC000506055091 561688745 /nfs/dbraw/zinc/68/87/45/561688745.db2.gz AAMYBYLNQDOJNF-GHMZBOCLSA-N 1 2 370.375 2.029 20 30 FEEDLO CCc1c(NC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)cnn1-c1ccccc1 ZINC000329041044 553869817 /nfs/dbraw/zinc/86/98/17/553869817.db2.gz OIQDUWPOSLIAQX-MOPGFXCFSA-N 1 2 369.469 2.385 20 30 FEEDLO CCc1c(NC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)cnn1-c1ccccc1 ZINC000329041044 553869818 /nfs/dbraw/zinc/86/98/18/553869818.db2.gz OIQDUWPOSLIAQX-MOPGFXCFSA-N 1 2 369.469 2.385 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(Cc3ccc(-n4cncn4)cc3)CC2)cc1 ZINC000506099721 561690324 /nfs/dbraw/zinc/69/03/24/561690324.db2.gz PJHXJIXGDCYJSR-UHFFFAOYSA-N 1 2 358.449 2.457 20 30 FEEDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)N[C@@H]2CCO[C@]3(CCOC3)C2)CC1 ZINC000329112609 553882766 /nfs/dbraw/zinc/88/27/66/553882766.db2.gz KUALMRAVFVWMBH-YVWKXTFCSA-N 1 2 374.485 2.012 20 30 FEEDLO C[C@@H](C(=O)N[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C)n1cccn1 ZINC000329173458 553895133 /nfs/dbraw/zinc/89/51/33/553895133.db2.gz KUDUZZCOAIYQJA-DXCKQFNASA-N 1 2 356.430 2.029 20 30 FEEDLO C[N@H+](CC(=O)Nc1cc2c(cc1Cl)OCCCO2)[C@]1(CO)CCOC1 ZINC000329286538 553918013 /nfs/dbraw/zinc/91/80/13/553918013.db2.gz GXOMHIZLTPCPEJ-KRWDZBQOSA-N 1 2 370.833 2.173 20 30 FEEDLO C[N@@H+](CC(=O)Nc1cc2c(cc1Cl)OCCCO2)[C@]1(CO)CCOC1 ZINC000329286538 553918014 /nfs/dbraw/zinc/91/80/14/553918014.db2.gz GXOMHIZLTPCPEJ-KRWDZBQOSA-N 1 2 370.833 2.173 20 30 FEEDLO CC1(C)CN(C(=O)NCC2([NH+]3CCOCC3)CC2)Cc2ccccc2O1 ZINC000329356132 553930757 /nfs/dbraw/zinc/93/07/57/553930757.db2.gz ZFVWNOJOHYMPSP-UHFFFAOYSA-N 1 2 359.470 2.438 20 30 FEEDLO N#CC1(NC(=O)C[N@H+]2CCCN(C(=O)c3ccccc3F)CC2)CCC1 ZINC000329491493 553957300 /nfs/dbraw/zinc/95/73/00/553957300.db2.gz SWAFNLZPDWYCKH-UHFFFAOYSA-N 1 2 358.417 2.376 20 30 FEEDLO N#CC1(NC(=O)C[N@@H+]2CCCN(C(=O)c3ccccc3F)CC2)CCC1 ZINC000329491493 553957302 /nfs/dbraw/zinc/95/73/02/553957302.db2.gz SWAFNLZPDWYCKH-UHFFFAOYSA-N 1 2 358.417 2.376 20 30 FEEDLO C[C@@H]1c2nnc(C3CCCC3)n2CCN1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000329559682 553967677 /nfs/dbraw/zinc/96/76/77/553967677.db2.gz QZSCEXNAKGJPCY-HIFRSBDPSA-N 1 2 369.473 2.438 20 30 FEEDLO C[C@H](NC(=O)C1CCCCC1)C(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000329736615 553997141 /nfs/dbraw/zinc/99/71/41/553997141.db2.gz LNYRGBMMVWNJIR-YQQAZPJKSA-N 1 2 351.491 2.091 20 30 FEEDLO O=C(Nc1ccc2[nH]c(N3CCOCC3)[nH+]c2c1)[C@@H]1OC[C@@H]2COCC[C@@H]12 ZINC000329781940 554004613 /nfs/dbraw/zinc/00/46/13/554004613.db2.gz NODLWMRAXBMFHT-DXCKQFNASA-N 1 2 372.425 2.039 20 30 FEEDLO CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1)C(=O)NCC1(C)CCC1 ZINC000329892593 554025689 /nfs/dbraw/zinc/02/56/89/554025689.db2.gz ADPGJCGPMDDYSP-HOTGVXAUSA-N 1 2 351.470 2.369 20 30 FEEDLO CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1)C(=O)NCC1(C)CCC1 ZINC000329892593 554025691 /nfs/dbraw/zinc/02/56/91/554025691.db2.gz ADPGJCGPMDDYSP-HOTGVXAUSA-N 1 2 351.470 2.369 20 30 FEEDLO C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)NCCC2(C)CC2)CC1 ZINC000329931817 554033993 /nfs/dbraw/zinc/03/39/93/554033993.db2.gz IKOQBZDICGYKEF-MRXNPFEDSA-N 1 2 350.507 2.109 20 30 FEEDLO Cn1cc[nH+]c1[C@H](NC(=O)C(=O)Nc1cc(C#N)ccc1Cl)C1CC1 ZINC000507386162 561727563 /nfs/dbraw/zinc/72/75/63/561727563.db2.gz UOLVMDXOPKGHCI-CQSZACIVSA-N 1 2 357.801 2.151 20 30 FEEDLO Cn1cc[nH+]c1[C@@H](NC(=O)C(=O)Nc1ccc(C#N)cc1Cl)C1CC1 ZINC000507386775 561727597 /nfs/dbraw/zinc/72/75/97/561727597.db2.gz WIEJENPAPXQFGD-AWEZNQCLSA-N 1 2 357.801 2.151 20 30 FEEDLO Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNC(=O)N[C@H]1CCCOCC1 ZINC000329986155 554044465 /nfs/dbraw/zinc/04/44/65/554044465.db2.gz RQJAQWGOQQSJJK-JYJNAYRXSA-N 1 2 368.453 2.277 20 30 FEEDLO Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNC(=O)N[C@H]1CCCOCC1 ZINC000329986155 554044467 /nfs/dbraw/zinc/04/44/67/554044467.db2.gz RQJAQWGOQQSJJK-JYJNAYRXSA-N 1 2 368.453 2.277 20 30 FEEDLO C[C@@H]1C[N@@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@]2(CCCOC2)O1 ZINC000330133191 554070518 /nfs/dbraw/zinc/07/05/18/554070518.db2.gz QZQIPOWCMTYNAY-BSIFCXSSSA-N 1 2 369.465 2.324 20 30 FEEDLO C[C@@H]1C[N@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@]2(CCCOC2)O1 ZINC000330133191 554070521 /nfs/dbraw/zinc/07/05/21/554070521.db2.gz QZQIPOWCMTYNAY-BSIFCXSSSA-N 1 2 369.465 2.324 20 30 FEEDLO O=C(C[N@@H+]1CCc2n[nH]c(=O)cc2C1)Nc1ccc(N2CCCCC2)nc1 ZINC000330157020 554075596 /nfs/dbraw/zinc/07/55/96/554075596.db2.gz PLPYNAXHHDFTDE-UHFFFAOYSA-N 1 2 368.441 2.214 20 30 FEEDLO O=C(C[N@H+]1CCc2n[nH]c(=O)cc2C1)Nc1ccc(N2CCCCC2)nc1 ZINC000330157020 554075598 /nfs/dbraw/zinc/07/55/98/554075598.db2.gz PLPYNAXHHDFTDE-UHFFFAOYSA-N 1 2 368.441 2.214 20 30 FEEDLO O=C(N[C@H]1CCN(c2cccc(Cl)c2)C1=O)N1CCn2cc[nH+]c2C1 ZINC000330261489 554095192 /nfs/dbraw/zinc/09/51/92/554095192.db2.gz UGYBIQFMZQMQFQ-AWEZNQCLSA-N 1 2 359.817 2.072 20 30 FEEDLO CCO[C@@H]1C[C@H](NC(=O)N2CCN(CC)[C@H](c3[nH]cc[nH+]3)C2)C12CCC2 ZINC000330317258 554103931 /nfs/dbraw/zinc/10/39/31/554103931.db2.gz BKSFBXXYWQJGIV-HRCADAONSA-N 1 2 361.490 2.350 20 30 FEEDLO CC(=O)N1CCC(NC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)CC1 ZINC000330329599 554106283 /nfs/dbraw/zinc/10/62/83/554106283.db2.gz MRBRHBLEBBNSNK-UHFFFAOYSA-N 1 2 373.501 2.324 20 30 FEEDLO Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)CN2Cc3ccccc3C2=O)CCO1 ZINC000330329385 554106330 /nfs/dbraw/zinc/10/63/30/554106330.db2.gz MMMBRAKCDBIQCC-YOEHRIQHSA-N 1 2 354.410 2.253 20 30 FEEDLO Cn1cc[nH+]c1[C@H]1CN(C(=O)NC[C@@H]2CCc3ccccc32)CCN1C ZINC000330340679 554108382 /nfs/dbraw/zinc/10/83/82/554108382.db2.gz YFQJUYRSZZCSRB-FUHWJXTLSA-N 1 2 353.470 2.353 20 30 FEEDLO CCN1CCN(C(=O)Nc2cccc(N(C)C(C)=O)c2)C[C@H]1c1[nH]cc[nH+]1 ZINC000330357033 554111116 /nfs/dbraw/zinc/11/11/16/554111116.db2.gz SKAPOAGBDQMNFD-KRWDZBQOSA-N 1 2 370.457 2.317 20 30 FEEDLO CN(C[C@@H](O)C(F)(F)F)C(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000330856531 554179208 /nfs/dbraw/zinc/17/92/08/554179208.db2.gz PWNMMXCRBAUVMZ-CYBMUJFWSA-N 1 2 360.380 2.341 20 30 FEEDLO Cc1cc(NC(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)c(C#N)cc1N(C)C ZINC000331241333 554235472 /nfs/dbraw/zinc/23/54/72/554235472.db2.gz MSJYNDQAWBRJJO-HUUCEWRRSA-N 1 2 359.474 2.368 20 30 FEEDLO C=CCn1c(-c2ccoc2)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC000508798564 561773183 /nfs/dbraw/zinc/77/31/83/561773183.db2.gz UUXKTVJVSKPQCG-UHFFFAOYSA-N 1 2 354.414 2.343 20 30 FEEDLO Cc1cc(S(=O)(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)ccc1C#N ZINC000331311189 554245339 /nfs/dbraw/zinc/24/53/39/554245339.db2.gz ZGZXKPNUTUOANA-HUUCEWRRSA-N 1 2 365.499 2.033 20 30 FEEDLO C=CCn1c(-c2ccc(C)c(F)c2)nnc1N(C)CC[NH+]1CCOCC1 ZINC000508905153 561777824 /nfs/dbraw/zinc/77/78/24/561777824.db2.gz YQNQBSYLENQFRF-UHFFFAOYSA-N 1 2 359.449 2.347 20 30 FEEDLO CC[C@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@@H]1CCCO1 ZINC000331857719 554332703 /nfs/dbraw/zinc/33/27/03/554332703.db2.gz XUEMPBAKZXIWGP-OALUTQOASA-N 1 2 356.470 2.343 20 30 FEEDLO Cc1cc(N2CCN(C(=O)N[C@@H]3CCC[C@H]3C#N)CC2)nc(C(C)C)[nH+]1 ZINC000332197255 554398842 /nfs/dbraw/zinc/39/88/42/554398842.db2.gz ZCDIUUCZYGLRAE-JKSUJKDBSA-N 1 2 356.474 2.432 20 30 FEEDLO N#CC1(C(=O)Nc2cc(N3CCOCC3)c(Br)c[nH+]2)CCC1 ZINC000333307860 554601132 /nfs/dbraw/zinc/60/11/32/554601132.db2.gz DEXQVNHRETYGFK-UHFFFAOYSA-N 1 2 365.231 2.313 20 30 FEEDLO CC1(C)COCC[N@@H+]1CCNC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000360466441 554875995 /nfs/dbraw/zinc/87/59/95/554875995.db2.gz MFJPMEBIHJVAOE-UHFFFAOYSA-N 1 2 368.481 2.468 20 30 FEEDLO CC1(C)COCC[N@H+]1CCNC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000360466441 554875997 /nfs/dbraw/zinc/87/59/97/554875997.db2.gz MFJPMEBIHJVAOE-UHFFFAOYSA-N 1 2 368.481 2.468 20 30 FEEDLO N#Cc1cccc(F)c1CC(=O)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000511446160 561869527 /nfs/dbraw/zinc/86/95/27/561869527.db2.gz UFAXMXFSGPMNPB-UHFFFAOYSA-N 1 2 358.442 2.431 20 30 FEEDLO N#Cc1cccc(F)c1CC(=O)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000511446160 561869528 /nfs/dbraw/zinc/86/95/28/561869528.db2.gz UFAXMXFSGPMNPB-UHFFFAOYSA-N 1 2 358.442 2.431 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cccc(-c4nc[nH]n4)c3)CC2)cc1 ZINC000362065690 554947428 /nfs/dbraw/zinc/94/74/28/554947428.db2.gz UACJWJKNVLRCQJ-UHFFFAOYSA-N 1 2 372.432 2.301 20 30 FEEDLO Cc1cc(N2CC[C@H]([N@H+]3CC=C(c4ccc(C#N)cc4)CC3)C2=O)n(C)n1 ZINC000362103313 554950123 /nfs/dbraw/zinc/95/01/23/554950123.db2.gz ROABJFMTPJZYSS-IBGZPJMESA-N 1 2 361.449 2.495 20 30 FEEDLO Cc1cc(N2CC[C@H]([N@@H+]3CC=C(c4ccc(C#N)cc4)CC3)C2=O)n(C)n1 ZINC000362103313 554950124 /nfs/dbraw/zinc/95/01/24/554950124.db2.gz ROABJFMTPJZYSS-IBGZPJMESA-N 1 2 361.449 2.495 20 30 FEEDLO Cc1nn(C)c(C)c1[C@@H]1COCC[N@@H+]1CCC(=O)Nc1ccccc1C#N ZINC000362619612 554976094 /nfs/dbraw/zinc/97/60/94/554976094.db2.gz CLVQCHRYTCAEAW-SFHVURJKSA-N 1 2 367.453 2.311 20 30 FEEDLO Cc1nn(C)c(C)c1[C@@H]1COCC[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000362619612 554976095 /nfs/dbraw/zinc/97/60/95/554976095.db2.gz CLVQCHRYTCAEAW-SFHVURJKSA-N 1 2 367.453 2.311 20 30 FEEDLO COc1ccc(CC(=O)N2CCC[N@H+](C[C@H](C#N)CCC#N)CC2)cc1 ZINC000363202722 555052287 /nfs/dbraw/zinc/05/22/87/555052287.db2.gz WOUCDPOEDMPTTB-SFHVURJKSA-N 1 2 354.454 2.216 20 30 FEEDLO COc1ccc(CC(=O)N2CCC[N@@H+](C[C@H](C#N)CCC#N)CC2)cc1 ZINC000363202722 555052289 /nfs/dbraw/zinc/05/22/89/555052289.db2.gz WOUCDPOEDMPTTB-SFHVURJKSA-N 1 2 354.454 2.216 20 30 FEEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1Cc1ccc(C#N)cc1OC(F)F ZINC000512474330 561906520 /nfs/dbraw/zinc/90/65/20/561906520.db2.gz JHPNWAIRJJQZOC-BBRMVZONSA-N 1 2 351.397 2.455 20 30 FEEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1Cc1ccc(C#N)cc1OC(F)F ZINC000512474331 561906622 /nfs/dbraw/zinc/90/66/22/561906622.db2.gz JHPNWAIRJJQZOC-CJNGLKHVSA-N 1 2 351.397 2.455 20 30 FEEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)[C@H]1CCCCNC1=O ZINC000365167812 555500773 /nfs/dbraw/zinc/50/07/73/555500773.db2.gz IAXYDJOZLANZCS-ZBFHGGJFSA-N 1 2 374.510 2.477 20 30 FEEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)[C@H]1CCCCNC1=O ZINC000365167812 555500775 /nfs/dbraw/zinc/50/07/75/555500775.db2.gz IAXYDJOZLANZCS-ZBFHGGJFSA-N 1 2 374.510 2.477 20 30 FEEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[S@@](=O)C[C@H](C)C1 ZINC000365440697 555576518 /nfs/dbraw/zinc/57/65/18/555576518.db2.gz DIAFMSIADVQZBK-IFCKVHAFSA-N 1 2 353.532 2.006 20 30 FEEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[S@@](=O)C[C@H](C)C1 ZINC000365440697 555576521 /nfs/dbraw/zinc/57/65/21/555576521.db2.gz DIAFMSIADVQZBK-IFCKVHAFSA-N 1 2 353.532 2.006 20 30 FEEDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000365469566 555583894 /nfs/dbraw/zinc/58/38/94/555583894.db2.gz YMMUGPGSGSACEA-ZDUSSCGKSA-N 1 2 371.828 2.290 20 30 FEEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)[C@@H]2CCCN2c2ccccc2)c1C#N ZINC000618893843 555691161 /nfs/dbraw/zinc/69/11/61/555691161.db2.gz IJQXHAKTUOVIFI-KRWDZBQOSA-N 1 2 352.442 2.041 20 30 FEEDLO Cc1[nH+]c2ccccc2n1CC(=O)Nc1ccccc1-n1cnc(C#N)n1 ZINC000366050054 555736711 /nfs/dbraw/zinc/73/67/11/555736711.db2.gz XHOABPDCONYSNK-UHFFFAOYSA-N 1 2 357.377 2.436 20 30 FEEDLO C#CCn1ccc(CN(CC)C(=O)[C@H]2CCCN(c3cccc[nH+]3)C2)n1 ZINC000366087103 555747635 /nfs/dbraw/zinc/74/76/35/555747635.db2.gz QWXWZCQOCNFLIT-KRWDZBQOSA-N 1 2 351.454 2.176 20 30 FEEDLO CC[C@H]1C[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C[C@@]2(CCOC2)O1 ZINC000366579857 555881683 /nfs/dbraw/zinc/88/16/83/555881683.db2.gz XAXNXWIADJJJOR-QFBILLFUSA-N 1 2 354.410 2.378 20 30 FEEDLO CC[C@H]1C[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C[C@@]2(CCOC2)O1 ZINC000366579857 555881685 /nfs/dbraw/zinc/88/16/85/555881685.db2.gz XAXNXWIADJJJOR-QFBILLFUSA-N 1 2 354.410 2.378 20 30 FEEDLO C=CCN1CC[C@H]([NH+]2CCN(c3cc(C(F)(F)F)ccn3)CC2)C1=O ZINC000366910485 555966790 /nfs/dbraw/zinc/96/67/90/555966790.db2.gz SWNOCFSDCUICMV-AWEZNQCLSA-N 1 2 354.376 2.009 20 30 FEEDLO CCO[C@@H](C)c1noc(C[N@@H+]2CCCN(c3ccnc(C#N)c3)CC2)n1 ZINC000367426735 556045612 /nfs/dbraw/zinc/04/56/12/556045612.db2.gz RQMVQDBZXOKWJQ-AWEZNQCLSA-N 1 2 356.430 2.146 20 30 FEEDLO CCO[C@@H](C)c1noc(C[N@H+]2CCCN(c3ccnc(C#N)c3)CC2)n1 ZINC000367426735 556045613 /nfs/dbraw/zinc/04/56/13/556045613.db2.gz RQMVQDBZXOKWJQ-AWEZNQCLSA-N 1 2 356.430 2.146 20 30 FEEDLO Cc1[nH+]c2n(c1CN1CCN(C(=O)c3ccc(C#N)cc3)CC1)CCCC2 ZINC000367536670 556077181 /nfs/dbraw/zinc/07/71/81/556077181.db2.gz XAOJNXZYWXGCKD-UHFFFAOYSA-N 1 2 363.465 2.358 20 30 FEEDLO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(C[C@H](C#N)CCC#N)C2)CC1 ZINC000367552207 556081188 /nfs/dbraw/zinc/08/11/88/556081188.db2.gz MTSDLMXFOKSMSS-DLBZAZTESA-N 1 2 361.490 2.057 20 30 FEEDLO C=CC[C@@H](C(=O)N1CC[NH+]([C@@H]2CCCCNC2=O)CC1)c1ccccc1 ZINC000368749873 556404860 /nfs/dbraw/zinc/40/48/60/556404860.db2.gz JZSNJBBMICUUOD-RTBURBONSA-N 1 2 355.482 2.159 20 30 FEEDLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC000515559711 562015160 /nfs/dbraw/zinc/01/51/60/562015160.db2.gz UUTJGFWYJMHFQO-KSSFIOAISA-N 1 2 367.453 2.232 20 30 FEEDLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC000515559711 562015161 /nfs/dbraw/zinc/01/51/61/562015161.db2.gz UUTJGFWYJMHFQO-KSSFIOAISA-N 1 2 367.453 2.232 20 30 FEEDLO CN(C1CCN(c2cccc[nH+]2)CC1)S(=O)(=O)Cc1cccc(C#N)c1 ZINC000369112840 556508368 /nfs/dbraw/zinc/50/83/68/556508368.db2.gz YUOJVJORSCOMQW-UHFFFAOYSA-N 1 2 370.478 2.384 20 30 FEEDLO Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000369345156 556575387 /nfs/dbraw/zinc/57/53/87/556575387.db2.gz RBNGIEUZUVWGED-KRWDZBQOSA-N 1 2 368.485 2.486 20 30 FEEDLO N#C[C@H]1C[N@@H+](Cc2ccc3c(c2)OCCO3)C[C@@]12C(=O)Nc1ccccc12 ZINC000369523507 556619827 /nfs/dbraw/zinc/61/98/27/556619827.db2.gz WYWNWXVLLSKDTQ-YCRPNKLZSA-N 1 2 361.401 2.303 20 30 FEEDLO N#C[C@H]1C[N@H+](Cc2ccc3c(c2)OCCO3)C[C@@]12C(=O)Nc1ccccc12 ZINC000369523507 556619829 /nfs/dbraw/zinc/61/98/29/556619829.db2.gz WYWNWXVLLSKDTQ-YCRPNKLZSA-N 1 2 361.401 2.303 20 30 FEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccn(-c2cccc(C(F)(F)F)c2)n1 ZINC000516474828 562044137 /nfs/dbraw/zinc/04/41/37/562044137.db2.gz BQUZGIKLKXCCCQ-MRXNPFEDSA-N 1 2 365.359 2.465 20 30 FEEDLO N#Cc1ccsc1NC(=O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000370058716 556770090 /nfs/dbraw/zinc/77/00/90/556770090.db2.gz AKGRIXUHWXHMRQ-UHFFFAOYSA-N 1 2 360.399 2.000 20 30 FEEDLO Cc1[nH+]c2n(c1CN1CCN(C(=O)c3sccc3C#N)CC1)CCCC2 ZINC000371472199 557192729 /nfs/dbraw/zinc/19/27/29/557192729.db2.gz YQFDWSBDAAGYKH-UHFFFAOYSA-N 1 2 369.494 2.419 20 30 FEEDLO COc1cc[nH+]cc1NC(=O)C(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000372839890 557572950 /nfs/dbraw/zinc/57/29/50/557572950.db2.gz JSIDIGZFUVTOQO-UHFFFAOYSA-N 1 2 362.389 2.216 20 30 FEEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCC[C@@H]([N@H+](C)Cc2noc(C)n2)CC1 ZINC000373344356 557676337 /nfs/dbraw/zinc/67/63/37/557676337.db2.gz MVXCRSGMEFSUPG-JFIYKMOQSA-N 1 2 362.474 2.172 20 30 FEEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCC[C@@H]([N@@H+](C)Cc2noc(C)n2)CC1 ZINC000373344356 557676338 /nfs/dbraw/zinc/67/63/38/557676338.db2.gz MVXCRSGMEFSUPG-JFIYKMOQSA-N 1 2 362.474 2.172 20 30 FEEDLO Cn1c[nH+]cc1CCC(=O)NCC1CCN(c2ccccc2C#N)CC1 ZINC000373538231 557713397 /nfs/dbraw/zinc/71/33/97/557713397.db2.gz UQNPIVUGYAVOFN-UHFFFAOYSA-N 1 2 351.454 2.257 20 30 FEEDLO C=C(C)CN(CC)C(=O)C(=O)N[C@H](c1[nH+]ccn1C)c1ccc(OC)cc1 ZINC000520435251 562156459 /nfs/dbraw/zinc/15/64/59/562156459.db2.gz ZCBPKIRMBPAFQB-KRWDZBQOSA-N 1 2 370.453 2.059 20 30 FEEDLO COC(=O)c1ccc(C[N@@H+]2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)s1 ZINC000374362872 557872034 /nfs/dbraw/zinc/87/20/34/557872034.db2.gz AOOLGFYPVCJJAH-CWTRNNRKSA-N 1 2 367.430 2.380 20 30 FEEDLO COC(=O)c1ccc(C[N@H+]2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)s1 ZINC000374362872 557872036 /nfs/dbraw/zinc/87/20/36/557872036.db2.gz AOOLGFYPVCJJAH-CWTRNNRKSA-N 1 2 367.430 2.380 20 30 FEEDLO Cc1cccn2cc(CNC(=O)c3ccc(-n4ncc(C#N)c4N)cc3)[nH+]c12 ZINC000521138206 562170225 /nfs/dbraw/zinc/17/02/25/562170225.db2.gz MXJALBWJZZHJIC-UHFFFAOYSA-N 1 2 371.404 2.212 20 30 FEEDLO N#Cc1ccc([C@H](O)C[N@H+]2CCc3c(sc4ncnc(N)c43)C2)cc1 ZINC000375133540 557982066 /nfs/dbraw/zinc/98/20/66/557982066.db2.gz DIFDVOMHQWEGJZ-CQSZACIVSA-N 1 2 351.435 2.237 20 30 FEEDLO N#Cc1ccc([C@H](O)C[N@@H+]2CCc3c(sc4ncnc(N)c43)C2)cc1 ZINC000375133540 557982067 /nfs/dbraw/zinc/98/20/67/557982067.db2.gz DIFDVOMHQWEGJZ-CQSZACIVSA-N 1 2 351.435 2.237 20 30 FEEDLO Cc1oc(NC(=O)C[N@@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)c(C#N)c1C ZINC000375465297 558032223 /nfs/dbraw/zinc/03/22/23/558032223.db2.gz HYDIQINSLDRSCR-CYBMUJFWSA-N 1 2 355.398 2.457 20 30 FEEDLO Cc1oc(NC(=O)C[N@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)c(C#N)c1C ZINC000375465297 558032225 /nfs/dbraw/zinc/03/22/25/558032225.db2.gz HYDIQINSLDRSCR-CYBMUJFWSA-N 1 2 355.398 2.457 20 30 FEEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000376195244 558139251 /nfs/dbraw/zinc/13/92/51/558139251.db2.gz JTVLBQKFYKSANG-RDJZCZTQSA-N 1 2 357.454 2.037 20 30 FEEDLO CC(C)(C)NS(=O)(=O)c1ccccc1C[NH2+]Cc1nc(C#N)cs1 ZINC000521694819 562182467 /nfs/dbraw/zinc/18/24/67/562182467.db2.gz BLAGGIFDLVHMJG-UHFFFAOYSA-N 1 2 364.496 2.381 20 30 FEEDLO C=CCCC(=O)N1CC[NH+]([C@@H]2CCCN(Cc3ccccc3)C2=O)CC1 ZINC000376536968 558187091 /nfs/dbraw/zinc/18/70/91/558187091.db2.gz AIKMXXWITLSPQU-LJQANCHMSA-N 1 2 355.482 2.288 20 30 FEEDLO Cc1nnc([C@H]2CC[N@H+](CC(=O)N(CCC#N)c3cc(C)cc(C)c3)C2)[nH]1 ZINC000521829385 562184278 /nfs/dbraw/zinc/18/42/78/562184278.db2.gz WCHMCBWBXBAWDT-KRWDZBQOSA-N 1 2 366.469 2.466 20 30 FEEDLO Cc1nnc([C@H]2CC[N@@H+](CC(=O)N(CCC#N)c3cc(C)cc(C)c3)C2)[nH]1 ZINC000521829385 562184279 /nfs/dbraw/zinc/18/42/79/562184279.db2.gz WCHMCBWBXBAWDT-KRWDZBQOSA-N 1 2 366.469 2.466 20 30 FEEDLO Cc1n[nH]c([C@H]2CC[N@H+](CC(=O)N(CCC#N)c3cc(C)cc(C)c3)C2)n1 ZINC000521829385 562184280 /nfs/dbraw/zinc/18/42/80/562184280.db2.gz WCHMCBWBXBAWDT-KRWDZBQOSA-N 1 2 366.469 2.466 20 30 FEEDLO Cc1n[nH]c([C@H]2CC[N@@H+](CC(=O)N(CCC#N)c3cc(C)cc(C)c3)C2)n1 ZINC000521829385 562184281 /nfs/dbraw/zinc/18/42/81/562184281.db2.gz WCHMCBWBXBAWDT-KRWDZBQOSA-N 1 2 366.469 2.466 20 30 FEEDLO Cc1nc([C@H]2CC[N@H+](CC(=O)N(CCC#N)c3cc(C)cc(C)c3)C2)n[nH]1 ZINC000521829385 562184282 /nfs/dbraw/zinc/18/42/82/562184282.db2.gz WCHMCBWBXBAWDT-KRWDZBQOSA-N 1 2 366.469 2.466 20 30 FEEDLO Cc1nc([C@H]2CC[N@@H+](CC(=O)N(CCC#N)c3cc(C)cc(C)c3)C2)n[nH]1 ZINC000521829385 562184283 /nfs/dbraw/zinc/18/42/83/562184283.db2.gz WCHMCBWBXBAWDT-KRWDZBQOSA-N 1 2 366.469 2.466 20 30 FEEDLO C[C@H](O)c1ncc(C[N@@H+]2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)s1 ZINC000377551153 558362286 /nfs/dbraw/zinc/36/22/86/558362286.db2.gz VKICFHNCEBMMCP-IUUKEHGRSA-N 1 2 354.435 2.042 20 30 FEEDLO C[C@H](O)c1ncc(C[N@H+]2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)s1 ZINC000377551153 558362288 /nfs/dbraw/zinc/36/22/88/558362288.db2.gz VKICFHNCEBMMCP-IUUKEHGRSA-N 1 2 354.435 2.042 20 30 FEEDLO C[C@H]1C[N@H+](CCNc2c(C#N)cnc3ccc(OC(F)F)cc32)CCO1 ZINC000522275555 562195920 /nfs/dbraw/zinc/19/59/20/562195920.db2.gz MQQMGBVWIMRGNK-LBPRGKRZSA-N 1 2 362.380 2.262 20 30 FEEDLO C[C@H]1C[N@@H+](CCNc2c(C#N)cnc3ccc(OC(F)F)cc32)CCO1 ZINC000522275555 562195921 /nfs/dbraw/zinc/19/59/21/562195921.db2.gz MQQMGBVWIMRGNK-LBPRGKRZSA-N 1 2 362.380 2.262 20 30 FEEDLO N#Cc1ccc2[nH+]cc(CN3C[C@@H](C#N)[C@@]4(C3)C(=O)Nc3ccccc34)n2c1 ZINC000378372934 558542944 /nfs/dbraw/zinc/54/29/44/558542944.db2.gz SGULWHMHZANUAB-QVKFZJNVSA-N 1 2 368.400 2.051 20 30 FEEDLO CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000378464011 558563177 /nfs/dbraw/zinc/56/31/77/558563177.db2.gz BHEXBRLEGFULFS-AWEZNQCLSA-N 1 2 368.441 2.183 20 30 FEEDLO C=C(C)CN(C)C(=O)C(=O)N1CC[N@@H+](Cc2ccccc2OCC)C[C@@H]1C ZINC000410942492 558826490 /nfs/dbraw/zinc/82/64/90/558826490.db2.gz GDHOFYVUSUQAPX-KRWDZBQOSA-N 1 2 373.497 2.153 20 30 FEEDLO C=C(C)CN(C)C(=O)C(=O)N1CC[N@H+](Cc2ccccc2OCC)C[C@@H]1C ZINC000410942492 558826491 /nfs/dbraw/zinc/82/64/91/558826491.db2.gz GDHOFYVUSUQAPX-KRWDZBQOSA-N 1 2 373.497 2.153 20 30 FEEDLO C[C@@H]([NH2+][C@H](c1cnn(C)c1)c1ccc(F)cc1)C(=O)NC1(C#N)CCC1 ZINC000526057696 562265460 /nfs/dbraw/zinc/26/54/60/562265460.db2.gz CRNPIHUWNKSQTQ-DYVFJYSZSA-N 1 2 355.417 2.189 20 30 FEEDLO C[N@H+](CC(=O)NC1(C#N)CCC1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000526135141 562268041 /nfs/dbraw/zinc/26/80/41/562268041.db2.gz PAQBPPKRWLTBQG-HOCLYGCPSA-N 1 2 368.264 2.446 20 30 FEEDLO C[N@@H+](CC(=O)NC1(C#N)CCC1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000526135141 562268042 /nfs/dbraw/zinc/26/80/42/562268042.db2.gz PAQBPPKRWLTBQG-HOCLYGCPSA-N 1 2 368.264 2.446 20 30 FEEDLO C[N@H+](CCC#N)C[C@H](O)CSc1nc(C2CC2)n(-c2ccccc2)n1 ZINC000414102160 559149217 /nfs/dbraw/zinc/14/92/17/559149217.db2.gz VAOIWTYVEYCUMZ-INIZCTEOSA-N 1 2 357.483 2.443 20 30 FEEDLO C[N@@H+](CCC#N)C[C@H](O)CSc1nc(C2CC2)n(-c2ccccc2)n1 ZINC000414102160 559149218 /nfs/dbraw/zinc/14/92/18/559149218.db2.gz VAOIWTYVEYCUMZ-INIZCTEOSA-N 1 2 357.483 2.443 20 30 FEEDLO CC(C)c1nnc(SC[C@@H](O)C[N@H+](C)CCC#N)n1Cc1ccco1 ZINC000414113546 559149620 /nfs/dbraw/zinc/14/96/20/559149620.db2.gz RYHTULTUUXKFCU-AWEZNQCLSA-N 1 2 363.487 2.341 20 30 FEEDLO CC(C)c1nnc(SC[C@@H](O)C[N@@H+](C)CCC#N)n1Cc1ccco1 ZINC000414113546 559149622 /nfs/dbraw/zinc/14/96/22/559149622.db2.gz RYHTULTUUXKFCU-AWEZNQCLSA-N 1 2 363.487 2.341 20 30 FEEDLO C[C@H](C#N)S(=O)(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000416387149 559309195 /nfs/dbraw/zinc/30/91/95/559309195.db2.gz JJRDAKMFQGXBHS-RISCZKNCSA-N 1 2 359.854 2.275 20 30 FEEDLO C[C@H](C#N)S(=O)(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000416387149 559309196 /nfs/dbraw/zinc/30/91/96/559309196.db2.gz JJRDAKMFQGXBHS-RISCZKNCSA-N 1 2 359.854 2.275 20 30 FEEDLO CC[C@H]1C[N@H+](CCNC(=O)N[C@@H]2CCCc3cc(C#N)ccc32)CCO1 ZINC000419613423 559450017 /nfs/dbraw/zinc/45/00/17/559450017.db2.gz NMFNYHLKGUIRLM-PKOBYXMFSA-N 1 2 356.470 2.346 20 30 FEEDLO CC[C@H]1C[N@@H+](CCNC(=O)N[C@@H]2CCCc3cc(C#N)ccc32)CCO1 ZINC000419613423 559450018 /nfs/dbraw/zinc/45/00/18/559450018.db2.gz NMFNYHLKGUIRLM-PKOBYXMFSA-N 1 2 356.470 2.346 20 30 FEEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000420953412 559514181 /nfs/dbraw/zinc/51/41/81/559514181.db2.gz ZMJXENUZFHJFMN-LSDHHAIUSA-N 1 2 352.500 2.123 20 30 FEEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000420953412 559514182 /nfs/dbraw/zinc/51/41/82/559514182.db2.gz ZMJXENUZFHJFMN-LSDHHAIUSA-N 1 2 352.500 2.123 20 30 FEEDLO CC(=O)N[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000420991035 559518030 /nfs/dbraw/zinc/51/80/30/559518030.db2.gz VJOFVZSHACGBJC-OCCSQVGLSA-N 1 2 374.510 2.426 20 30 FEEDLO CC(=O)N[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000420991035 559518031 /nfs/dbraw/zinc/51/80/31/559518031.db2.gz VJOFVZSHACGBJC-OCCSQVGLSA-N 1 2 374.510 2.426 20 30 FEEDLO C=CCC1(C(=O)N2CC[C@](C)([NH2+]CC(=O)OC(C)(C)C)C2)CCOCC1 ZINC000424843812 559678347 /nfs/dbraw/zinc/67/83/47/559678347.db2.gz VHRMVKPWCQHSML-IBGZPJMESA-N 1 2 366.502 2.282 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000424930943 559680317 /nfs/dbraw/zinc/68/03/17/559680317.db2.gz ICKYITTYUHASET-BXWFABGCSA-N 1 2 361.461 2.044 20 30 FEEDLO C=CCN1CC[C@H](N(C)C(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)C1=O ZINC000425286331 559694847 /nfs/dbraw/zinc/69/48/47/559694847.db2.gz HLRJHIJINSYLAY-IRXDYDNUSA-N 1 2 352.438 2.177 20 30 FEEDLO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1cnn([C@]2(C)CCS(=O)(=O)C2)c1 ZINC000425368097 559698329 /nfs/dbraw/zinc/69/83/29/559698329.db2.gz VSNBVTSZXIAGHV-DNVCBOLYSA-N 1 2 372.494 2.481 20 30 FEEDLO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cnn([C@]2(C)CCS(=O)(=O)C2)c1 ZINC000425368097 559698330 /nfs/dbraw/zinc/69/83/30/559698330.db2.gz VSNBVTSZXIAGHV-DNVCBOLYSA-N 1 2 372.494 2.481 20 30 FEEDLO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000425382734 559699043 /nfs/dbraw/zinc/69/90/43/559699043.db2.gz JFVQAFQDFCSQRA-AWEZNQCLSA-N 1 2 365.437 2.207 20 30 FEEDLO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000425382734 559699044 /nfs/dbraw/zinc/69/90/44/559699044.db2.gz JFVQAFQDFCSQRA-AWEZNQCLSA-N 1 2 365.437 2.207 20 30 FEEDLO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000425383028 559699092 /nfs/dbraw/zinc/69/90/92/559699092.db2.gz JNIAOMBQMNYXRM-WMLDXEAASA-N 1 2 365.437 2.207 20 30 FEEDLO C=CCn1cc(CNC(=O)NCc2ccc(N3CCC(C)CC3)[nH+]c2)nn1 ZINC000425420140 559701316 /nfs/dbraw/zinc/70/13/16/559701316.db2.gz KKFHVOGGXCMAIS-UHFFFAOYSA-N 1 2 369.473 2.095 20 30 FEEDLO COC(=O)c1cnc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2C#N)s1 ZINC000425481839 559704784 /nfs/dbraw/zinc/70/47/84/559704784.db2.gz GKMPCJIFUYHMOH-WDEREUQCSA-N 1 2 358.423 2.479 20 30 FEEDLO Cc1ncc(S(=O)(=O)Nc2cccc(-c3[nH+]ccn3C)c2)cc1C#N ZINC000427744335 559761247 /nfs/dbraw/zinc/76/12/47/559761247.db2.gz AJQQXTHWACSYRH-UHFFFAOYSA-N 1 2 353.407 2.463 20 30 FEEDLO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(Cc2cccc(F)c2C#N)CC1 ZINC000428243972 559772239 /nfs/dbraw/zinc/77/22/39/559772239.db2.gz CLLFDHDGUHWKBA-HNNXBMFYSA-N 1 2 358.461 2.262 20 30 FEEDLO N#Cc1ccnc(NCc2cccc(OCC[NH+]3CCOCC3)c2)c1Cl ZINC000429189070 559792701 /nfs/dbraw/zinc/79/27/01/559792701.db2.gz AYAZCXYXEAFCKD-UHFFFAOYSA-N 1 2 372.856 2.930 20 30 FEEDLO COC(=O)C[C@](C)([NH2+]CC(=O)Nc1oc(C)c(C)c1C#N)c1ccccn1 ZINC000429670421 559803637 /nfs/dbraw/zinc/80/36/37/559803637.db2.gz KKMCXXIQTXSBPL-IBGZPJMESA-N 1 2 370.409 2.170 20 30 FEEDLO COc1ccc(C[NH+]2CCN(C(=O)NCC3(CC#N)CC3)CC2)cc1F ZINC000431055907 559833119 /nfs/dbraw/zinc/83/31/19/559833119.db2.gz YWBORDRMMYYGOV-UHFFFAOYSA-N 1 2 360.433 2.355 20 30 FEEDLO CCSc1nccnc1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000431713696 559844545 /nfs/dbraw/zinc/84/45/45/559844545.db2.gz UCIMSLKKJCNBGA-UHFFFAOYSA-N 1 2 367.478 2.418 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ncc(Br)cn1 ZINC000432993161 559869412 /nfs/dbraw/zinc/86/94/12/559869412.db2.gz QJUAKLPGWCVFGY-ZIBATOQPSA-N 1 2 368.279 2.333 20 30 FEEDLO N#Cc1cscc1C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000433109615 559872011 /nfs/dbraw/zinc/87/20/11/559872011.db2.gz LHNDOEJOKIDCAA-UHFFFAOYSA-N 1 2 371.462 2.261 20 30 FEEDLO CN(C)c1[nH+]cccc1O[C@H]1CCN(C(=O)CNc2cccc(C#N)c2)C1 ZINC000433421113 559881042 /nfs/dbraw/zinc/88/10/42/559881042.db2.gz BIKISDVWKDOHBP-KRWDZBQOSA-N 1 2 365.437 2.111 20 30 FEEDLO Cn1cc(C[NH+]2CCN(Cc3ccc(C#N)cc3OC(F)F)CC2)cn1 ZINC000437150633 559961043 /nfs/dbraw/zinc/96/10/43/559961043.db2.gz KSORCHPFYYUSBK-UHFFFAOYSA-N 1 2 361.396 2.211 20 30 FEEDLO C[N@H+](CC#Cc1ccc(OC(F)(F)F)cc1)C[C@H]1CCS(=O)(=O)C1 ZINC000438065020 559973624 /nfs/dbraw/zinc/97/36/24/559973624.db2.gz HLPDTWQAHBYPLV-CQSZACIVSA-N 1 2 361.385 2.303 20 30 FEEDLO C[N@@H+](CC#Cc1ccc(OC(F)(F)F)cc1)C[C@H]1CCS(=O)(=O)C1 ZINC000438065020 559973625 /nfs/dbraw/zinc/97/36/25/559973625.db2.gz HLPDTWQAHBYPLV-CQSZACIVSA-N 1 2 361.385 2.303 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000438201884 559975617 /nfs/dbraw/zinc/97/56/17/559975617.db2.gz NCKGQQWISUBQET-AABGKKOBSA-N 1 2 373.497 2.168 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000438201884 559975618 /nfs/dbraw/zinc/97/56/18/559975618.db2.gz NCKGQQWISUBQET-AABGKKOBSA-N 1 2 373.497 2.168 20 30 FEEDLO CC#CCCNC(=O)C(=O)Nc1cccc(C[N@H+](C)Cc2cscn2)c1 ZINC000440702613 560016806 /nfs/dbraw/zinc/01/68/06/560016806.db2.gz DVQHBYQCJGCTTC-UHFFFAOYSA-N 1 2 370.478 2.243 20 30 FEEDLO CC#CCCNC(=O)C(=O)Nc1cccc(C[N@@H+](C)Cc2cscn2)c1 ZINC000440702613 560016807 /nfs/dbraw/zinc/01/68/07/560016807.db2.gz DVQHBYQCJGCTTC-UHFFFAOYSA-N 1 2 370.478 2.243 20 30 FEEDLO CN(C)c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2C#N)c[nH+]1 ZINC000443103260 560070679 /nfs/dbraw/zinc/07/06/79/560070679.db2.gz KKTPSHGIKZORRD-UHFFFAOYSA-N 1 2 350.831 2.151 20 30 FEEDLO CCC[C@]1(C(=O)OCC)CCC[N@@H+]1CC(=O)NCc1cccc(C#N)c1 ZINC000444794334 560120979 /nfs/dbraw/zinc/12/09/79/560120979.db2.gz VFTBTSPTVZQWCF-HXUWFJFHSA-N 1 2 357.454 2.372 20 30 FEEDLO CCC[C@]1(C(=O)OCC)CCC[N@H+]1CC(=O)NCc1cccc(C#N)c1 ZINC000444794334 560120980 /nfs/dbraw/zinc/12/09/80/560120980.db2.gz VFTBTSPTVZQWCF-HXUWFJFHSA-N 1 2 357.454 2.372 20 30 FEEDLO CC(C)c1ccc2ncc(C#N)c(N(C)C[C@H](O)C[NH+]3CCOCC3)c2c1 ZINC000447676138 560166583 /nfs/dbraw/zinc/16/65/83/560166583.db2.gz BGLIDNGYVQRECM-SFHVURJKSA-N 1 2 368.481 2.359 20 30 FEEDLO Cn1c(C#N)ccc1C(=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000448586707 560191514 /nfs/dbraw/zinc/19/15/14/560191514.db2.gz ATIMUCWCKCOBDD-UHFFFAOYSA-N 1 2 372.856 2.387 20 30 FEEDLO N#CCC(=O)N1CCN(C(=O)c2ccccc2Oc2cc[nH+]cc2)CC1 ZINC000450130213 560251469 /nfs/dbraw/zinc/25/14/69/560251469.db2.gz UUONCXCRWUMNNL-UHFFFAOYSA-N 1 2 350.378 2.072 20 30 FEEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCCC[C@H]1c1n[nH]c(=O)[nH]1 ZINC000450987603 560281326 /nfs/dbraw/zinc/28/13/26/560281326.db2.gz LXUNMQPUSDMUSB-CVEARBPZSA-N 1 2 358.442 2.206 20 30 FEEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCCC[C@H]1c1n[nH]c(=O)[nH]1 ZINC000450987603 560281327 /nfs/dbraw/zinc/28/13/27/560281327.db2.gz LXUNMQPUSDMUSB-CVEARBPZSA-N 1 2 358.442 2.206 20 30 FEEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@](O)(C(F)F)C2)c1C ZINC000451434815 560306801 /nfs/dbraw/zinc/30/68/01/560306801.db2.gz QFVGRWGFPCKHSK-GOSISDBHSA-N 1 2 351.397 2.252 20 30 FEEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CC[C@](O)(C(F)F)C2)c1C ZINC000451434815 560306802 /nfs/dbraw/zinc/30/68/02/560306802.db2.gz QFVGRWGFPCKHSK-GOSISDBHSA-N 1 2 351.397 2.252 20 30 FEEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCC[C@@H](NC(=O)N(C)C)C1 ZINC000452019905 560345782 /nfs/dbraw/zinc/34/57/82/560345782.db2.gz RLHCAGJNUFBMIH-IAGOWNOFSA-N 1 2 371.485 2.057 20 30 FEEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCC[C@@H](NC(=O)N(C)C)C1 ZINC000452019905 560345783 /nfs/dbraw/zinc/34/57/83/560345783.db2.gz RLHCAGJNUFBMIH-IAGOWNOFSA-N 1 2 371.485 2.057 20 30 FEEDLO N#CCc1ccc(NC(=O)C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c(Cl)c1 ZINC000453719901 560399431 /nfs/dbraw/zinc/39/94/31/560399431.db2.gz LHVQHJPTNWUTJB-UHFFFAOYSA-N 1 2 371.828 2.474 20 30 FEEDLO N#Cc1ccc(CNC(=O)N2CC[NH+](Cc3ccncc3)CC2)cc1F ZINC000455549079 560486675 /nfs/dbraw/zinc/48/66/75/560486675.db2.gz UJLQWNONONCXMX-UHFFFAOYSA-N 1 2 353.401 2.120 20 30 FEEDLO C[C@H]1CN(c2ccc(CNC(=O)N(C)CC(C)(C)C#N)c[nH+]2)C[C@H](C)O1 ZINC000457646340 560579584 /nfs/dbraw/zinc/57/95/84/560579584.db2.gz GIGFHDICIJZNGA-GJZGRUSLSA-N 1 2 359.474 2.386 20 30 FEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@](C)([NH2+]CC(=O)OC(C)(C)C)C1 ZINC000457780316 560587234 /nfs/dbraw/zinc/58/72/34/560587234.db2.gz SGCGXTTZIOCIGF-RIFZZMRRSA-N 1 2 366.502 2.280 20 30 FEEDLO CCOC(=O)c1ncn(C2CC[NH+](Cc3cccc(F)c3C#N)CC2)c1N ZINC000459434515 560686219 /nfs/dbraw/zinc/68/62/19/560686219.db2.gz VWMPPJQCLVWYSD-UHFFFAOYSA-N 1 2 371.416 2.490 20 30 FEEDLO COC(=O)c1cccc2c1CC[N@@H+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)C2 ZINC000459540864 560693082 /nfs/dbraw/zinc/69/30/82/560693082.db2.gz RZKLTAQDTZXGJZ-VBKZILBWSA-N 1 2 357.454 2.274 20 30 FEEDLO COC(=O)c1cccc2c1CC[N@H+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)C2 ZINC000459540864 560693083 /nfs/dbraw/zinc/69/30/83/560693083.db2.gz RZKLTAQDTZXGJZ-VBKZILBWSA-N 1 2 357.454 2.274 20 30 FEEDLO C=CCNC(=O)C[NH+]1CCN(c2c(C#N)cnc3ccc(Cl)cc32)CC1 ZINC000461466698 560773121 /nfs/dbraw/zinc/77/31/21/560773121.db2.gz ZRELWGRTLFGMBM-UHFFFAOYSA-N 1 2 369.856 2.184 20 30 FEEDLO Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000461732779 560780772 /nfs/dbraw/zinc/78/07/72/560780772.db2.gz OCFFVRJFKFOQAG-GOSISDBHSA-N 1 2 372.432 2.660 20 30 FEEDLO Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000461732779 560780773 /nfs/dbraw/zinc/78/07/73/560780773.db2.gz OCFFVRJFKFOQAG-GOSISDBHSA-N 1 2 372.432 2.660 20 30 FEEDLO N#Cc1cccnc1-n1cc(NC(=O)NCc2cn3ccccc3[nH+]2)cn1 ZINC000462084431 560796039 /nfs/dbraw/zinc/79/60/39/560796039.db2.gz OTUVXKPUCCOXEM-UHFFFAOYSA-N 1 2 358.365 2.108 20 30 FEEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCN(C(=O)Cc2cccc(Cl)c2)[C@@H](C)C1 ZINC000464762888 560850229 /nfs/dbraw/zinc/85/02/29/560850229.db2.gz YLGXBVPEIQYMOF-GJZGRUSLSA-N 1 2 363.889 2.106 20 30 FEEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCN(C(=O)Cc2cccc(Cl)c2)[C@@H](C)C1 ZINC000464762888 560850231 /nfs/dbraw/zinc/85/02/31/560850231.db2.gz YLGXBVPEIQYMOF-GJZGRUSLSA-N 1 2 363.889 2.106 20 30 FEEDLO N#CCSCCC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000466741005 560894087 /nfs/dbraw/zinc/89/40/87/560894087.db2.gz KMELAYPHKAUGER-UHFFFAOYSA-N 1 2 354.457 2.061 20 30 FEEDLO CC[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000467162778 560905278 /nfs/dbraw/zinc/90/52/78/560905278.db2.gz ZUZMKXSZWBGILI-CYBMUJFWSA-N 1 2 357.426 2.379 20 30 FEEDLO CC[C@@H]1CCCC[N@H+]1CCNS(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000467162778 560905279 /nfs/dbraw/zinc/90/52/79/560905279.db2.gz ZUZMKXSZWBGILI-CYBMUJFWSA-N 1 2 357.426 2.379 20 30 FEEDLO C=CCc1ccc(OCC(=O)NCC[N@@H+]2CCO[C@@H](CC)C2)c(OC)c1 ZINC000470428092 560981407 /nfs/dbraw/zinc/98/14/07/560981407.db2.gz IMOUGCAWLYAKKI-KRWDZBQOSA-N 1 2 362.470 2.030 20 30 FEEDLO C=CCc1ccc(OCC(=O)NCC[N@H+]2CCO[C@@H](CC)C2)c(OC)c1 ZINC000470428092 560981408 /nfs/dbraw/zinc/98/14/08/560981408.db2.gz IMOUGCAWLYAKKI-KRWDZBQOSA-N 1 2 362.470 2.030 20 30 FEEDLO CCN1CCN(CC(=O)N(CCC#N)c2ccccc2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000471075464 560997771 /nfs/dbraw/zinc/99/77/71/560997771.db2.gz PRGNADBOHDCTOU-GOSISDBHSA-N 1 2 366.469 2.035 20 30 FEEDLO COC(=O)c1oc([C@H](C)[NH+]2CCN(c3c(C#N)c(C)nn3C)CC2)cc1C ZINC000472155901 561019603 /nfs/dbraw/zinc/01/96/03/561019603.db2.gz MYRBPRSYFOOMJS-AWEZNQCLSA-N 1 2 371.441 2.171 20 30 FEEDLO COc1c(F)cc(F)cc1NC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000473893308 561059969 /nfs/dbraw/zinc/05/99/69/561059969.db2.gz GQTMVOOFBUJFQG-UHFFFAOYSA-N 1 2 368.384 2.053 20 30 FEEDLO CC(C)(C#N)c1ccc(C(=O)N2CC[C@@H](OCC[NH+]3CCOCC3)C2)cc1 ZINC000476335594 561116913 /nfs/dbraw/zinc/11/69/13/561116913.db2.gz UFKOZPMAYCAWJA-LJQANCHMSA-N 1 2 371.481 2.051 20 30 FEEDLO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCO[C@H](COc2ccccc2)C1 ZINC000528476973 562331297 /nfs/dbraw/zinc/33/12/97/562331297.db2.gz OEMAKXYRZWCGSB-QUCCMNQESA-N 1 2 368.433 2.078 20 30 FEEDLO N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCO[C@H](COc2ccccc2)C1 ZINC000528476973 562331298 /nfs/dbraw/zinc/33/12/98/562331298.db2.gz OEMAKXYRZWCGSB-QUCCMNQESA-N 1 2 368.433 2.078 20 30 FEEDLO COc1ccc(C[N@@H+]2CC[C@@H]2CNS(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000528504988 562332790 /nfs/dbraw/zinc/33/27/90/562332790.db2.gz WXXGOTAHOJWNJJ-QGZVFWFLSA-N 1 2 371.462 2.120 20 30 FEEDLO COc1ccc(C[N@H+]2CC[C@@H]2CNS(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000528504988 562332791 /nfs/dbraw/zinc/33/27/91/562332791.db2.gz WXXGOTAHOJWNJJ-QGZVFWFLSA-N 1 2 371.462 2.120 20 30 FEEDLO N#Cc1ccncc1N1CC[NH+]([C@@H]2CCN(C3CCCCC3)C2=O)CC1 ZINC000528508736 562333132 /nfs/dbraw/zinc/33/31/32/562333132.db2.gz SSPPZNGUYIPKQO-GOSISDBHSA-N 1 2 353.470 2.009 20 30 FEEDLO COCc1ccc(NC(=O)c2ccc(C[NH+]3CCOCC3)cn2)cc1C#N ZINC000529814973 562386468 /nfs/dbraw/zinc/38/64/68/562386468.db2.gz AWXNPBXEDHMKNC-UHFFFAOYSA-N 1 2 366.421 2.184 20 30 FEEDLO N#Cc1ccc(C2(NC(=O)[C@@H]3CCc4[nH+]ccn4C3)CCOCC2)cc1 ZINC000530059246 562396373 /nfs/dbraw/zinc/39/63/73/562396373.db2.gz CBQXKDWXLYZUKX-MRXNPFEDSA-N 1 2 350.422 2.139 20 30 FEEDLO Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000530605779 562417494 /nfs/dbraw/zinc/41/74/94/562417494.db2.gz MPZFQFYSGIUZMD-GOSISDBHSA-N 1 2 373.416 2.445 20 30 FEEDLO COC(=O)c1cccc(CN2CCN(c3c[nH+]ccc3C)CC2)c1C#N ZINC000534851109 562543842 /nfs/dbraw/zinc/54/38/42/562543842.db2.gz MTGTVFIBNPUPCT-UHFFFAOYSA-N 1 2 350.422 2.371 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CCN3C(=O)CC[C@H]3C2)c1 ZINC000535033969 562548827 /nfs/dbraw/zinc/54/88/27/562548827.db2.gz FZUVRJHECUVQNO-MSOLQXFVSA-N 1 2 368.481 2.245 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CCN3C(=O)CC[C@H]3C2)c1 ZINC000535033969 562548828 /nfs/dbraw/zinc/54/88/28/562548828.db2.gz FZUVRJHECUVQNO-MSOLQXFVSA-N 1 2 368.481 2.245 20 30 FEEDLO CCOc1ccc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@H]2C)cc1OC ZINC000535820664 562568916 /nfs/dbraw/zinc/56/89/16/562568916.db2.gz JBFGOBOTLHNLDQ-OAHLLOKOSA-N 1 2 367.453 2.466 20 30 FEEDLO CCOc1ccc(C[N@H+]2CCN(c3nccnc3C#N)C[C@H]2C)cc1OC ZINC000535820664 562568917 /nfs/dbraw/zinc/56/89/17/562568917.db2.gz JBFGOBOTLHNLDQ-OAHLLOKOSA-N 1 2 367.453 2.466 20 30 FEEDLO CSc1[nH]c(=O)c(C(=O)N[C@H]2C[N@H+](C)C[C@H]2c2ccccc2)cc1C#N ZINC000540901623 562596131 /nfs/dbraw/zinc/59/61/31/562596131.db2.gz NSQVIEGTBTZYQG-HOTGVXAUSA-N 1 2 368.462 2.208 20 30 FEEDLO CSc1[nH]c(=O)c(C(=O)N[C@H]2C[N@@H+](C)C[C@H]2c2ccccc2)cc1C#N ZINC000540901623 562596132 /nfs/dbraw/zinc/59/61/32/562596132.db2.gz NSQVIEGTBTZYQG-HOTGVXAUSA-N 1 2 368.462 2.208 20 30 FEEDLO CN(C(=O)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1)[C@@H]1CCC[C@@H]1C#N ZINC000602066485 567924014 /nfs/dbraw/zinc/92/40/14/567924014.db2.gz HYRQSDNUUPODEV-GDBMZVCRSA-N 1 2 351.410 2.176 20 30 FEEDLO C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602854611 568002130 /nfs/dbraw/zinc/00/21/30/568002130.db2.gz CGYZOHSKBSZIGY-CUNNRKICSA-N 1 2 358.530 2.378 20 30 FEEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000603088777 568059536 /nfs/dbraw/zinc/05/95/36/568059536.db2.gz HKVXYHXZKMGYNS-RYUDHWBXSA-N 1 2 361.396 2.068 20 30 FEEDLO C[C@@H]1CN(C(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)C[C@@H](C)N1CC#N ZINC000603089508 568059585 /nfs/dbraw/zinc/05/95/85/568059585.db2.gz KCYKRMFCODZAQY-NUJGCVRESA-N 1 2 351.454 2.376 20 30 FEEDLO C[C@@H]1C[C@H]1c1ccc(CCC(=O)N(CCC#N)CC[NH+]2CCOCC2)o1 ZINC000604538447 568309196 /nfs/dbraw/zinc/30/91/96/568309196.db2.gz NFQVNEADIBCPEK-SJLPKXTDSA-N 1 2 359.470 2.410 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)CSCc1ccc(F)cc1 ZINC000604538712 568309222 /nfs/dbraw/zinc/30/92/22/568309222.db2.gz FKDPYXQJSYPXBA-UHFFFAOYSA-N 1 2 365.474 2.133 20 30 FEEDLO COc1c(C)c[nH+]c(CSc2nc(N)c(-c3nn[nH]n3)cc2C#N)c1C ZINC000737025795 599368348 /nfs/dbraw/zinc/36/83/48/599368348.db2.gz NEXKHDJXVWYUDB-UHFFFAOYSA-N 1 2 368.426 2.028 20 30 FEEDLO NC(=[NH+]OCc1cn2ccccc2c1-c1nn[nH]n1)c1ccc(F)cc1 ZINC000822850421 606176189 /nfs/dbraw/zinc/17/61/89/606176189.db2.gz HEZMENJETPIRNE-UHFFFAOYSA-N 1 2 351.345 2.096 20 30 FEEDLO C#CC[NH+]1CCN(Cn2nc(C)n(CCc3cccs3)c2=S)CC1 ZINC000075711821 670536522 /nfs/dbraw/zinc/53/65/22/670536522.db2.gz WOWKTYMLLUOEFV-UHFFFAOYSA-N 1 2 361.540 2.235 20 30 FEEDLO C=C[C@](C)(O)CC(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000569895508 670629499 /nfs/dbraw/zinc/62/94/99/670629499.db2.gz QJMPBNMNVZMHEZ-NJAFHUGGSA-N 1 2 352.862 2.155 20 30 FEEDLO C=C[C@](C)(O)CC(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000569895508 670629502 /nfs/dbraw/zinc/62/95/02/670629502.db2.gz QJMPBNMNVZMHEZ-NJAFHUGGSA-N 1 2 352.862 2.155 20 30 FEEDLO C[N@H+](CCC#N)C[C@H](O)CNc1ccc2c(c1)CN(CC(F)(F)F)C2 ZINC000571076837 670812386 /nfs/dbraw/zinc/81/23/86/670812386.db2.gz XBEWYZQEUQPVGX-MRXNPFEDSA-N 1 2 356.392 2.183 20 30 FEEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1ccc2c(c1)CN(CC(F)(F)F)C2 ZINC000571076837 670812393 /nfs/dbraw/zinc/81/23/93/670812393.db2.gz XBEWYZQEUQPVGX-MRXNPFEDSA-N 1 2 356.392 2.183 20 30 FEEDLO C=CCCCNC(=O)C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000572074187 670958126 /nfs/dbraw/zinc/95/81/26/670958126.db2.gz LPLNDLYIFKPDFR-UHFFFAOYSA-N 1 2 363.889 2.457 20 30 FEEDLO C=CCCCNC(=O)C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000572074187 670958134 /nfs/dbraw/zinc/95/81/34/670958134.db2.gz LPLNDLYIFKPDFR-UHFFFAOYSA-N 1 2 363.889 2.457 20 30 FEEDLO N#Cc1ncccc1SCC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000573219822 671096110 /nfs/dbraw/zinc/09/61/10/671096110.db2.gz OKJAMYLGARAPFM-UHFFFAOYSA-N 1 2 358.492 2.451 20 30 FEEDLO N#Cc1cc(F)cc(OCC(=O)N2CC[NH+](Cc3cccs3)CC2)c1 ZINC000574388327 671234290 /nfs/dbraw/zinc/23/42/90/671234290.db2.gz NCBKAWLYWASKKS-UHFFFAOYSA-N 1 2 359.426 2.482 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[NH+]2CCC(c3cccnc3)CC2)nc1 ZINC000588963360 672496110 /nfs/dbraw/zinc/49/61/10/672496110.db2.gz QWSLMCVBZHBTRX-UHFFFAOYSA-N 1 2 356.451 2.002 20 30 FEEDLO Cc1nsc(N2CCN(c3cc(NCC4CC4)[nH+]cn3)CC2)c1C#N ZINC000589605018 672533850 /nfs/dbraw/zinc/53/38/50/672533850.db2.gz BMAYKESOFMPZJP-UHFFFAOYSA-N 1 2 355.471 2.262 20 30 FEEDLO Cc1nsc(N2CCN(c3cc(NCC4CC4)nc[nH+]3)CC2)c1C#N ZINC000589605018 672533855 /nfs/dbraw/zinc/53/38/55/672533855.db2.gz BMAYKESOFMPZJP-UHFFFAOYSA-N 1 2 355.471 2.262 20 30 FEEDLO C=C(C)C[N@@H+](C)CC(=O)Nc1sc(C(=O)OC)c(C)c1C(=O)OC ZINC000611501132 676040953 /nfs/dbraw/zinc/04/09/53/676040953.db2.gz YTSRALJCROGMOW-UHFFFAOYSA-N 1 2 354.428 2.076 20 30 FEEDLO C=C(C)C[N@H+](C)CC(=O)Nc1sc(C(=O)OC)c(C)c1C(=O)OC ZINC000611501132 676040956 /nfs/dbraw/zinc/04/09/56/676040956.db2.gz YTSRALJCROGMOW-UHFFFAOYSA-N 1 2 354.428 2.076 20 30 FEEDLO COc1cc(Br)c(C[N@@H+]2CC[C@@](O)(CC#N)C2)cc1OC ZINC000592146187 672764027 /nfs/dbraw/zinc/76/40/27/672764027.db2.gz FTTLWCKLOIOPRP-HNNXBMFYSA-N 1 2 355.232 2.317 20 30 FEEDLO COc1cc(Br)c(C[N@H+]2CC[C@@](O)(CC#N)C2)cc1OC ZINC000592146187 672764029 /nfs/dbraw/zinc/76/40/29/672764029.db2.gz FTTLWCKLOIOPRP-HNNXBMFYSA-N 1 2 355.232 2.317 20 30 FEEDLO CC[C@@H]1C[N@H+](CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)CCS1 ZINC000247510479 672851066 /nfs/dbraw/zinc/85/10/66/672851066.db2.gz YOVASAFJTVFIBY-QAPCUYQASA-N 1 2 358.467 2.110 20 30 FEEDLO CC[C@@H]1C[N@@H+](CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)CCS1 ZINC000247510479 672851068 /nfs/dbraw/zinc/85/10/68/672851068.db2.gz YOVASAFJTVFIBY-QAPCUYQASA-N 1 2 358.467 2.110 20 30 FEEDLO CN(C)S(=O)(=O)c1ccc(C(=O)/C=C\c2cccc3[nH+]ccn32)cc1 ZINC000255918248 672898909 /nfs/dbraw/zinc/89/89/09/672898909.db2.gz WQSFRQYGNUGKKA-FLIBITNWSA-N 1 2 355.419 2.481 20 30 FEEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)C[C@H]1COCCO1 ZINC000595737491 673287170 /nfs/dbraw/zinc/28/71/70/673287170.db2.gz QVQHTWGBVSUZFA-CABCVRRESA-N 1 2 363.483 2.224 20 30 FEEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)C[C@H]1COCCO1 ZINC000595737491 673287174 /nfs/dbraw/zinc/28/71/74/673287174.db2.gz QVQHTWGBVSUZFA-CABCVRRESA-N 1 2 363.483 2.224 20 30 FEEDLO CNC(=O)CNC(=S)N[NH+]=C(C)c1ccc(N2CCCCCC2)cc1 ZINC000731927295 673348027 /nfs/dbraw/zinc/34/80/27/673348027.db2.gz QPIGPSXEXVHYTO-UHFFFAOYSA-N 1 2 361.515 2.001 20 30 FEEDLO CC[C@H](C)[C@H]([NH2+]C[C@H](O)CC1(C#N)CCOCC1)C(=O)OC(C)(C)C ZINC000599354630 673663112 /nfs/dbraw/zinc/66/31/12/673663112.db2.gz YHBFJEGTBBWKDX-XHSDSOJGSA-N 1 2 354.491 2.404 20 30 FEEDLO N#Cc1cc(Br)ccc1CN1CC[NH+](Cc2cn[nH]c2)CC1 ZINC000599438087 673675769 /nfs/dbraw/zinc/67/57/69/673675769.db2.gz CMDFNUPCRCKILL-UHFFFAOYSA-N 1 2 360.259 2.362 20 30 FEEDLO N#Cc1ccc(-c2nnc(C[N@H+]3C[C@@H](CO)[C@H](C(F)(F)F)C3)o2)cc1 ZINC000602987636 673914766 /nfs/dbraw/zinc/91/47/66/673914766.db2.gz MSYJJLZWIAWWIA-QWHCGFSZSA-N 1 2 352.316 2.211 20 30 FEEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3C[C@@H](CO)[C@H](C(F)(F)F)C3)o2)cc1 ZINC000602987636 673914769 /nfs/dbraw/zinc/91/47/69/673914769.db2.gz MSYJJLZWIAWWIA-QWHCGFSZSA-N 1 2 352.316 2.211 20 30 FEEDLO COCC[N@H+](C)Cc1cn(Cc2ccc(C#N)cc2C(F)(F)F)nn1 ZINC000603249129 673920064 /nfs/dbraw/zinc/92/00/64/673920064.db2.gz FKLCBTJDZRGXFS-UHFFFAOYSA-N 1 2 353.348 2.295 20 30 FEEDLO COCC[N@@H+](C)Cc1cn(Cc2ccc(C#N)cc2C(F)(F)F)nn1 ZINC000603249129 673920068 /nfs/dbraw/zinc/92/00/68/673920068.db2.gz FKLCBTJDZRGXFS-UHFFFAOYSA-N 1 2 353.348 2.295 20 30 FEEDLO Cc1cc(C[NH+]2CCN(c3cc(C#N)c(Br)cn3)CC2)on1 ZINC000603271519 673920557 /nfs/dbraw/zinc/92/05/57/673920557.db2.gz GCFJSGAKIMWAON-UHFFFAOYSA-N 1 2 362.231 2.334 20 30 FEEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1cccc(C(=O)N2CCSCC2)c1 ZINC000566428726 675213157 /nfs/dbraw/zinc/21/31/57/675213157.db2.gz KTCXOMHCUBGVTD-OAHLLOKOSA-N 1 2 360.483 2.096 20 30 FEEDLO C#CCO[C@@H](C)C(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000828384421 675816671 /nfs/dbraw/zinc/81/66/71/675816671.db2.gz LKAJJQUUJHOZIE-LBPRGKRZSA-N 1 2 364.243 2.102 20 30 FEEDLO C[S@](=O)CC[NH+]1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000828583262 675831784 /nfs/dbraw/zinc/83/17/84/675831784.db2.gz UTSHTRJJNZUGHU-BTYIYWSLSA-N 1 2 370.316 2.010 20 30 FEEDLO C=CCOc1c(Br)cc(C[NH2+]Cc2cnn[nH]2)cc1OC ZINC000623577580 676541821 /nfs/dbraw/zinc/54/18/21/676541821.db2.gz XTIWUGQTJLJYLL-UHFFFAOYSA-N 1 2 353.220 2.430 20 30 FEEDLO C=CCOc1c(Cl)cc(C[N@H+]2CC[C@H](S(=O)(=O)NC)C2)cc1OC ZINC000628190777 676794321 /nfs/dbraw/zinc/79/43/21/676794321.db2.gz QAJFEVLCMORSDB-ZDUSSCGKSA-N 1 2 374.890 2.037 20 30 FEEDLO C=CCOc1c(Cl)cc(C[N@@H+]2CC[C@H](S(=O)(=O)NC)C2)cc1OC ZINC000628190777 676794323 /nfs/dbraw/zinc/79/43/23/676794323.db2.gz QAJFEVLCMORSDB-ZDUSSCGKSA-N 1 2 374.890 2.037 20 30 FEEDLO C=CCOc1c(Cl)cc(C[NH2+]Cc2cc(C(N)=O)no2)cc1OC ZINC000628238411 676795298 /nfs/dbraw/zinc/79/52/98/676795298.db2.gz XWNWPJIELNCRQG-UHFFFAOYSA-N 1 2 351.790 2.290 20 30 FEEDLO C=CCNS(=O)(=O)c1ccccc1N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000641435331 677206017 /nfs/dbraw/zinc/20/60/17/677206017.db2.gz GNJHYSAVWUTYQQ-DOTOQJQBSA-N 1 2 360.483 2.435 20 30 FEEDLO C#C[C@@H]1COCCN1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000838535995 680699453 /nfs/dbraw/zinc/69/94/53/680699453.db2.gz OYDPEKGCHDPUQZ-KBRIMQKVSA-N 1 2 365.836 2.268 20 30 FEEDLO C#C[C@@H]1COCCN1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000838535995 680699455 /nfs/dbraw/zinc/69/94/55/680699455.db2.gz OYDPEKGCHDPUQZ-KBRIMQKVSA-N 1 2 365.836 2.268 20 30 FEEDLO C=CC[C@@H]1CC[C@H](Nc2ccc(N3CCN(S(C)(=O)=O)CC3)[nH+]c2)C1 ZINC000651754618 677449393 /nfs/dbraw/zinc/44/93/93/677449393.db2.gz JJQCDCYMSDBTEJ-CVEARBPZSA-N 1 2 364.515 2.320 20 30 FEEDLO C=CC[C@@H]1CCCN(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000660446998 678341306 /nfs/dbraw/zinc/34/13/06/678341306.db2.gz JZSXNHFLAKQEPN-AEFFLSMTSA-N 1 2 353.532 2.192 20 30 FEEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@@](CO)(OC)C1 ZINC000661396290 678477275 /nfs/dbraw/zinc/47/72/75/678477275.db2.gz PWRQTIQOQSNGSE-GOSISDBHSA-N 1 2 350.484 2.377 20 30 FEEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@](CO)(OC)C1 ZINC000661396290 678477278 /nfs/dbraw/zinc/47/72/78/678477278.db2.gz PWRQTIQOQSNGSE-GOSISDBHSA-N 1 2 350.484 2.377 20 30 FEEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN(c2ccc(Br)cc2)CC1 ZINC000661577203 678506534 /nfs/dbraw/zinc/50/65/34/678506534.db2.gz WBBMMRUWHGPLTB-CYBMUJFWSA-N 1 2 352.276 2.262 20 30 FEEDLO C#CCN1CCN(C(=O)C[N@@H+](C)Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000748814182 679997888 /nfs/dbraw/zinc/99/78/88/679997888.db2.gz VBYUCEKXUTYDKU-UHFFFAOYSA-N 1 2 354.281 2.203 20 30 FEEDLO C#CCN1CCN(C(=O)C[N@H+](C)Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000748814182 679997893 /nfs/dbraw/zinc/99/78/93/679997893.db2.gz VBYUCEKXUTYDKU-UHFFFAOYSA-N 1 2 354.281 2.203 20 30 FEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2cc(OC)ns2)C1 ZINC001015816093 680052051 /nfs/dbraw/zinc/05/20/51/680052051.db2.gz HEGZGKQETXLQCU-KMFMINBZSA-N 1 2 365.499 2.214 20 30 FEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](Cc2cc(OC)ns2)C1 ZINC001015816093 680052056 /nfs/dbraw/zinc/05/20/56/680052056.db2.gz HEGZGKQETXLQCU-KMFMINBZSA-N 1 2 365.499 2.214 20 30 FEEDLO [NH3+][C@@H](CC(=O)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1)C(F)F ZINC000912065883 685309072 /nfs/dbraw/zinc/30/90/72/685309072.db2.gz QBEZWYCGHPWXFR-LURJTMIESA-N 1 2 373.272 2.013 20 30 FEEDLO C=C(Br)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001028033710 680367639 /nfs/dbraw/zinc/36/76/39/680367639.db2.gz MVJNNEIEOACQGF-LJISPDSOSA-N 1 2 357.292 2.291 20 30 FEEDLO C=C(Br)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001028033710 680367643 /nfs/dbraw/zinc/36/76/43/680367643.db2.gz MVJNNEIEOACQGF-LJISPDSOSA-N 1 2 357.292 2.291 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2nc(C(C)C)ns2)C1 ZINC001028813002 680383761 /nfs/dbraw/zinc/38/37/61/680383761.db2.gz RNDSCZBSMKOSNP-KFWWJZLASA-N 1 2 364.515 2.191 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[N@H+](Cc2nc(C(C)C)ns2)C1 ZINC001028813002 680383766 /nfs/dbraw/zinc/38/37/66/680383766.db2.gz RNDSCZBSMKOSNP-KFWWJZLASA-N 1 2 364.515 2.191 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2nnc(CC)s2)C1 ZINC001028860929 680385824 /nfs/dbraw/zinc/38/58/24/680385824.db2.gz HUMCXENLWOPHGR-ZQIUZPCESA-N 1 2 364.515 2.020 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2nnc(CC)s2)C1 ZINC001028860929 680385828 /nfs/dbraw/zinc/38/58/28/680385828.db2.gz HUMCXENLWOPHGR-ZQIUZPCESA-N 1 2 364.515 2.020 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1C[NH+](Cc2ccc(F)cc2F)C1 ZINC001031678321 680405767 /nfs/dbraw/zinc/40/57/67/680405767.db2.gz HVOHZIZVHPCUFJ-AEFFLSMTSA-N 1 2 350.409 2.494 20 30 FEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)C1 ZINC001035497356 680447997 /nfs/dbraw/zinc/44/79/97/680447997.db2.gz VARPCMKEZULUBD-RBSFLKMASA-N 1 2 350.409 2.461 20 30 FEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)C1 ZINC001035497356 680448000 /nfs/dbraw/zinc/44/80/00/680448000.db2.gz VARPCMKEZULUBD-RBSFLKMASA-N 1 2 350.409 2.461 20 30 FEEDLO C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1Nc1nc(C#N)c(Cl)s1 ZINC001043164284 680563880 /nfs/dbraw/zinc/56/38/80/680563880.db2.gz QKPVMSPSACVQGN-MWLCHTKSSA-N 1 2 364.862 2.283 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@]1(C)CC[N@H+](CC(=C)Br)C1 ZINC001046320761 680645777 /nfs/dbraw/zinc/64/57/77/680645777.db2.gz ZIPLPFLBRCGPRO-IJEWVQPXSA-N 1 2 357.292 2.457 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@]1(C)CC[N@@H+](CC(=C)Br)C1 ZINC001046320761 680645779 /nfs/dbraw/zinc/64/57/79/680645779.db2.gz ZIPLPFLBRCGPRO-IJEWVQPXSA-N 1 2 357.292 2.457 20 30 FEEDLO CC(C)(C)OC(=O)NC1CC[NH+](CC(=O)N[C@H](C#N)C(C)(C)C)CC1 ZINC000769263236 680975878 /nfs/dbraw/zinc/97/58/78/680975878.db2.gz NHZJRPADEFFICF-CQSZACIVSA-N 1 2 352.479 2.030 20 30 FEEDLO COC(=O)Cc1ccc(N[NH+]=Cc2cnc(N3CCOCC3)s2)cc1 ZINC000844606319 681068522 /nfs/dbraw/zinc/06/85/22/681068522.db2.gz UIHGIGZBCZPEEU-UHFFFAOYSA-N 1 2 360.439 2.141 20 30 FEEDLO C[N@H+](CC(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1)[C@H]1CCSC1 ZINC000773977215 681162991 /nfs/dbraw/zinc/16/29/91/681162991.db2.gz UYYSHTYZPDMFNP-UONOGXRCSA-N 1 2 351.859 2.425 20 30 FEEDLO C[N@@H+](CC(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1)[C@H]1CCSC1 ZINC000773977215 681162992 /nfs/dbraw/zinc/16/29/92/681162992.db2.gz UYYSHTYZPDMFNP-UONOGXRCSA-N 1 2 351.859 2.425 20 30 FEEDLO COC[C@H]1COCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000933338571 681395797 /nfs/dbraw/zinc/39/57/97/681395797.db2.gz KSRHFPUQPGOJDC-ZDUSSCGKSA-N 1 2 363.483 2.174 20 30 FEEDLO COC[C@H]1COCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000933338571 681395802 /nfs/dbraw/zinc/39/58/02/681395802.db2.gz KSRHFPUQPGOJDC-ZDUSSCGKSA-N 1 2 363.483 2.174 20 30 FEEDLO COc1ccc(CNC(=O)C[N@H+](C)Cc2cc(C#N)cs2)cc1OC ZINC000933777525 681467047 /nfs/dbraw/zinc/46/70/47/681467047.db2.gz BJFKEORVEZRYOX-UHFFFAOYSA-N 1 2 359.451 2.385 20 30 FEEDLO COc1ccc(CNC(=O)C[N@@H+](C)Cc2cc(C#N)cs2)cc1OC ZINC000933777525 681467049 /nfs/dbraw/zinc/46/70/49/681467049.db2.gz BJFKEORVEZRYOX-UHFFFAOYSA-N 1 2 359.451 2.385 20 30 FEEDLO CN(C)[S@@](C)(=O)=NCC1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC000934754871 681622692 /nfs/dbraw/zinc/62/26/92/681622692.db2.gz NKTWJKOEPMHDBN-DEOSSOPVSA-N 1 2 352.479 2.484 20 30 FEEDLO C=CC[N@@H+](C[C@H]1CCCN1C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000779475931 681719416 /nfs/dbraw/zinc/71/94/16/681719416.db2.gz JKUAUBWELNMSGU-HUUCEWRRSA-N 1 2 358.504 2.061 20 30 FEEDLO C=CC[N@H+](C[C@H]1CCCN1C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000779475931 681719418 /nfs/dbraw/zinc/71/94/18/681719418.db2.gz JKUAUBWELNMSGU-HUUCEWRRSA-N 1 2 358.504 2.061 20 30 FEEDLO C=C(Cl)C(C)(C)C(=O)N1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000956030157 681845607 /nfs/dbraw/zinc/84/56/07/681845607.db2.gz HMXMEUHPXSZQGC-BFHYXJOUSA-N 1 2 364.877 2.399 20 30 FEEDLO C=C(Cl)C(C)(C)C(=O)N1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000956030157 681845611 /nfs/dbraw/zinc/84/56/11/681845611.db2.gz HMXMEUHPXSZQGC-BFHYXJOUSA-N 1 2 364.877 2.399 20 30 FEEDLO CS(=O)(=O)c1ccc(N[NH+]=Cc2ccccc2N2CCOCC2)cc1 ZINC000914836746 685510054 /nfs/dbraw/zinc/51/00/54/685510054.db2.gz WFQDGBHLPXYQFO-UHFFFAOYSA-N 1 2 359.451 2.373 20 30 FEEDLO CCCCn1nnnc1CO[NH+]=C(N)c1ccc(Br)cc1 ZINC000782949359 682098050 /nfs/dbraw/zinc/09/80/50/682098050.db2.gz HAKMLIUQXOOSMD-UHFFFAOYSA-N 1 2 353.224 2.073 20 30 FEEDLO C#CCOCCNC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000784391089 682222389 /nfs/dbraw/zinc/22/23/89/682222389.db2.gz VTSHZZMFTHBIBY-HOTGVXAUSA-N 1 2 353.825 2.173 20 30 FEEDLO C#CCOCCNC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000784391089 682222394 /nfs/dbraw/zinc/22/23/94/682222394.db2.gz VTSHZZMFTHBIBY-HOTGVXAUSA-N 1 2 353.825 2.173 20 30 FEEDLO C[N@@H+]1CCN(Cc2ccc(C#N)s2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000793604526 682898614 /nfs/dbraw/zinc/89/86/14/682898614.db2.gz RCKICHBXJGKHKY-ZDUSSCGKSA-N 1 2 350.488 2.260 20 30 FEEDLO C[N@H+]1CCN(Cc2ccc(C#N)s2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000793604526 682898615 /nfs/dbraw/zinc/89/86/15/682898615.db2.gz RCKICHBXJGKHKY-ZDUSSCGKSA-N 1 2 350.488 2.260 20 30 FEEDLO N#C[C@H](NC(=O)/C=C\C[NH+]1CCOCC1)c1cccc(Br)c1 ZINC000865079030 683932772 /nfs/dbraw/zinc/93/27/72/683932772.db2.gz ZZJKHAWLSCJXME-PRSOIBJXSA-N 1 2 364.243 2.018 20 30 FEEDLO C=C(Cl)C[C@@H]1NC(=O)N(Cc2cc[nH+]c(N3CCSCC3)c2)C1=O ZINC000865318007 683967419 /nfs/dbraw/zinc/96/74/19/683967419.db2.gz USQTWWSFXBFFPH-ZDUSSCGKSA-N 1 2 366.874 2.198 20 30 FEEDLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)Nc2sccc2C#N)CC1 ZINC000931846271 684356180 /nfs/dbraw/zinc/35/61/80/684356180.db2.gz SKQKDEWCSYJOIR-UHFFFAOYSA-N 1 2 363.487 2.028 20 30 FEEDLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)Nc2sccc2C#N)CC1 ZINC000931846271 684356186 /nfs/dbraw/zinc/35/61/86/684356186.db2.gz SKQKDEWCSYJOIR-UHFFFAOYSA-N 1 2 363.487 2.028 20 30 FEEDLO N#CCCCS(=O)(=O)NCCN(Cc1ccccc1)c1cccc[nH+]1 ZINC000872572240 684980853 /nfs/dbraw/zinc/98/08/53/684980853.db2.gz HFAAZVSDOFJPIS-UHFFFAOYSA-N 1 2 358.467 2.311 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1C[C@@H](NC(=O)OC(C)(C)C)C[C@H]1C ZINC000879221803 686773712 /nfs/dbraw/zinc/77/37/12/686773712.db2.gz LLBMZFSLHSFJAQ-QWQRMKEZSA-N 1 2 352.479 2.028 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1C[C@@H](NC(=O)OC(C)(C)C)C[C@H]1C ZINC000879221803 686773720 /nfs/dbraw/zinc/77/37/20/686773720.db2.gz LLBMZFSLHSFJAQ-QWQRMKEZSA-N 1 2 352.479 2.028 20 30 FEEDLO COc1cc(C#N)cc(OS(=O)(=O)c2cccc3c2CC[N@H+](C)C3)c1 ZINC000882126063 687307912 /nfs/dbraw/zinc/30/79/12/687307912.db2.gz RPKWVPHCULFPPF-UHFFFAOYSA-N 1 2 358.419 2.322 20 30 FEEDLO COc1cc(C#N)cc(OS(=O)(=O)c2cccc3c2CC[N@@H+](C)C3)c1 ZINC000882126063 687307916 /nfs/dbraw/zinc/30/79/16/687307916.db2.gz RPKWVPHCULFPPF-UHFFFAOYSA-N 1 2 358.419 2.322 20 30 FEEDLO CSc1ccc(CNC(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)cc1C#N ZINC000884161507 687804537 /nfs/dbraw/zinc/80/45/37/687804537.db2.gz HTDXDTORJJAOOX-KBPBESRZSA-N 1 2 362.499 2.189 20 30 FEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1ccc(N2CCCC2)c(Cl)c1 ZINC000884206925 687818433 /nfs/dbraw/zinc/81/84/33/687818433.db2.gz IOBPXSZNTZGISQ-AWEZNQCLSA-N 1 2 351.834 2.325 20 30 FEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCc1ccc(Cl)c(C(F)(F)F)c1 ZINC000884463753 687875396 /nfs/dbraw/zinc/87/53/96/687875396.db2.gz QNHXNIRMGAIMGM-LBPRGKRZSA-N 1 2 364.751 2.422 20 30 FEEDLO N#CCCc1ccc(S(=O)(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000885075258 688011742 /nfs/dbraw/zinc/01/17/42/688011742.db2.gz XEMVQRQBUAKPRK-MRXNPFEDSA-N 1 2 356.451 2.095 20 30 FEEDLO N#CC1(C[C@H](O)C[N@@H+]2CCOC[C@@H]2C[C@H](O)c2cccs2)CCC1 ZINC000886038437 688196354 /nfs/dbraw/zinc/19/63/54/688196354.db2.gz VOQJWHBTMZXTOU-JYJNAYRXSA-N 1 2 350.484 2.317 20 30 FEEDLO N#CC1(C[C@H](O)C[N@H+]2CCOC[C@@H]2C[C@H](O)c2cccs2)CCC1 ZINC000886038437 688196359 /nfs/dbraw/zinc/19/63/59/688196359.db2.gz VOQJWHBTMZXTOU-JYJNAYRXSA-N 1 2 350.484 2.317 20 30 FEEDLO C=CCOc1c(Cl)cc(C[N@H+]2CC[C@@](O)(C(=O)OC)C2)cc1OC ZINC000895702513 689756842 /nfs/dbraw/zinc/75/68/42/689756842.db2.gz PNUUFUJDIMWEHK-KRWDZBQOSA-N 1 2 355.818 2.023 20 30 FEEDLO C=CCOc1c(Cl)cc(C[N@@H+]2CC[C@@](O)(C(=O)OC)C2)cc1OC ZINC000895702513 689756845 /nfs/dbraw/zinc/75/68/45/689756845.db2.gz PNUUFUJDIMWEHK-KRWDZBQOSA-N 1 2 355.818 2.023 20 30 FEEDLO Cc1c(Br)ccc(OC[C@@H](O)C[N@H+](C)CCC#N)c1[N+](=O)[O-] ZINC000899907513 690437418 /nfs/dbraw/zinc/43/74/18/690437418.db2.gz GKUTTXFVBJUBTH-NSHDSACASA-N 1 2 372.219 2.251 20 30 FEEDLO Cc1c(Br)ccc(OC[C@@H](O)C[N@@H+](C)CCC#N)c1[N+](=O)[O-] ZINC000899907513 690437421 /nfs/dbraw/zinc/43/74/21/690437421.db2.gz GKUTTXFVBJUBTH-NSHDSACASA-N 1 2 372.219 2.251 20 30 FEEDLO C=CC[NH+]1CCN(c2ncnc(Cl)c2CC(OCC)OCC)CC1 ZINC001165031901 721866749 /nfs/dbraw/zinc/86/67/49/721866749.db2.gz YVZQOUIDERDGDG-UHFFFAOYSA-N 1 2 354.882 2.380 20 30 FEEDLO C=CCNC(=O)NC(=O)C[N@@H+](C)Cc1cc(Br)ccc1F ZINC000108166132 210139664 /nfs/dbraw/zinc/13/96/64/210139664.db2.gz MYHLOSWJEWNEAV-UHFFFAOYSA-N 1 2 358.211 2.032 20 30 FEEDLO C=CCNC(=O)NC(=O)C[N@H+](C)Cc1cc(Br)ccc1F ZINC000108166132 210139668 /nfs/dbraw/zinc/13/96/68/210139668.db2.gz MYHLOSWJEWNEAV-UHFFFAOYSA-N 1 2 358.211 2.032 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)COc3ccccc3F)CC2)cc1 ZINC000015742064 539622548 /nfs/dbraw/zinc/62/25/48/539622548.db2.gz YKTGIXXDWKOBSO-UHFFFAOYSA-N 1 2 353.397 2.421 20 30 FEEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CCCN(Cc2ccc(F)cc2)CC1)C1CC1 ZINC000022983190 539704649 /nfs/dbraw/zinc/70/46/49/539704649.db2.gz KIOVSQXDXVPSTC-HXUWFJFHSA-N 1 2 358.461 2.142 20 30 FEEDLO C[C@](C#N)(NC(=O)C[N@H+]1CCCN(Cc2ccc(F)cc2)CC1)C1CC1 ZINC000022983190 539704651 /nfs/dbraw/zinc/70/46/51/539704651.db2.gz KIOVSQXDXVPSTC-HXUWFJFHSA-N 1 2 358.461 2.142 20 30 FEEDLO CCOc1ccc(C[NH+]2CCN(CC(=O)N[C@](C)(C#N)C(C)C)CC2)cc1 ZINC000027568175 539810398 /nfs/dbraw/zinc/81/03/98/539810398.db2.gz DNWKXVFUFCZJMZ-OAQYLSRUSA-N 1 2 372.513 2.257 20 30 FEEDLO Cc1cc(C[NH+]2CCN([C@H](C)C(=O)Nc3oc(C)c(C)c3C#N)CC2)on1 ZINC000027907251 539820002 /nfs/dbraw/zinc/82/00/02/539820002.db2.gz RAIQXDDGUUSFFQ-CQSZACIVSA-N 1 2 371.441 2.209 20 30 FEEDLO C=CCOc1ccc(C(=O)NCc2ccc[nH+]c2N2CCOCC2)cc1 ZINC000031329471 539904860 /nfs/dbraw/zinc/90/48/60/539904860.db2.gz ZIYKMQUIJZJSLL-UHFFFAOYSA-N 1 2 353.422 2.413 20 30 FEEDLO C#Cc1cccc(NC(=O)C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)c1 ZINC000041518943 540024134 /nfs/dbraw/zinc/02/41/34/540024134.db2.gz HIGCWMNARUSZJZ-UHFFFAOYSA-N 1 2 362.433 2.308 20 30 FEEDLO C[C@@H]1CCCC[C@@H]1NC(=O)CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000045314513 540209506 /nfs/dbraw/zinc/20/95/06/540209506.db2.gz ZOPZVVQKHXAMOM-XLIONFOSSA-N 1 2 354.498 2.371 20 30 FEEDLO Cc1ccc(C(=O)NC2CC[NH+](CC(=O)N[C@@](C)(C#N)C3CC3)CC2)s1 ZINC000051099069 540422494 /nfs/dbraw/zinc/42/24/94/540422494.db2.gz LDZFBDIJPSCSAA-IBGZPJMESA-N 1 2 374.510 2.059 20 30 FEEDLO COc1ccc(C(=O)N2CC[NH+](CCOc3cccc(C#N)c3)CC2)cc1 ZINC000051210199 540426691 /nfs/dbraw/zinc/42/66/91/540426691.db2.gz CXIBIRLYFRTOJC-UHFFFAOYSA-N 1 2 365.433 2.404 20 30 FEEDLO CC(=O)NCC1CC[NH+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000052849143 540493596 /nfs/dbraw/zinc/49/35/96/540493596.db2.gz OMTRHVHPSGFJIO-GFCCVEGCSA-N 1 2 374.510 2.284 20 30 FEEDLO Cc1ccccc1OC[C@H](O)CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000053420070 540533634 /nfs/dbraw/zinc/53/36/34/540533634.db2.gz OVANABAQJHKKEK-OAQYLSRUSA-N 1 2 365.477 2.424 20 30 FEEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c1C#N ZINC000536301263 540576898 /nfs/dbraw/zinc/57/68/98/540576898.db2.gz SYIAQRXDOSIUAD-UHFFFAOYSA-N 1 2 368.353 2.340 20 30 FEEDLO Cc1cc(=NC(=O)NCc2[nH+]ccn2CC(F)(F)F)[nH]n1CCC#N ZINC000537513570 540737739 /nfs/dbraw/zinc/73/77/39/540737739.db2.gz HHDVDMLYTXUUMU-UHFFFAOYSA-N 1 2 355.324 2.186 20 30 FEEDLO N#CC1CC[NH+](CC(=O)NCCOc2cccc(C(F)(F)F)c2)CC1 ZINC000057874181 540821278 /nfs/dbraw/zinc/82/12/78/540821278.db2.gz AXLDDHJPFGBAMS-UHFFFAOYSA-N 1 2 355.360 2.436 20 30 FEEDLO C[C@@H]1CN(c2ccc(CNC(=O)N3CCC(C#N)CC3)c[nH+]2)C[C@@H](C)O1 ZINC000057993186 540826717 /nfs/dbraw/zinc/82/67/17/540826717.db2.gz XNFJNWRPFLRFAW-HUUCEWRRSA-N 1 2 357.458 2.140 20 30 FEEDLO C=CC[N@@H+](CC(=O)N1CCC(C(=O)OCC)CC1)Cc1cccc(C#N)c1 ZINC000063300728 541163496 /nfs/dbraw/zinc/16/34/96/541163496.db2.gz KCZGMIVZTPVHJO-UHFFFAOYSA-N 1 2 369.465 2.348 20 30 FEEDLO C=CC[N@H+](CC(=O)N1CCC(C(=O)OCC)CC1)Cc1cccc(C#N)c1 ZINC000063300728 541163499 /nfs/dbraw/zinc/16/34/99/541163499.db2.gz KCZGMIVZTPVHJO-UHFFFAOYSA-N 1 2 369.465 2.348 20 30 FEEDLO N#CCCN(C(=O)C[N@@H+]1CCCC[C@@H]1C(=O)N1CCCC1)c1ccccc1 ZINC000063516995 541172499 /nfs/dbraw/zinc/17/24/99/541172499.db2.gz AZIXSBZFSNENLK-LJQANCHMSA-N 1 2 368.481 2.410 20 30 FEEDLO N#CCCN(C(=O)C[N@H+]1CCCC[C@@H]1C(=O)N1CCCC1)c1ccccc1 ZINC000063516995 541172500 /nfs/dbraw/zinc/17/25/00/541172500.db2.gz AZIXSBZFSNENLK-LJQANCHMSA-N 1 2 368.481 2.410 20 30 FEEDLO Cc1ccc(C#N)cc1NC(=O)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000063826885 541187800 /nfs/dbraw/zinc/18/78/00/541187800.db2.gz QBHQSBMPCMHXEO-UHFFFAOYSA-N 1 2 373.416 2.366 20 30 FEEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 ZINC000541924222 541299492 /nfs/dbraw/zinc/29/94/92/541299492.db2.gz CLVWDKFQOVCPBB-LBPRGKRZSA-N 1 2 353.361 2.290 20 30 FEEDLO Cc1cc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n(CCC#N)n1 ZINC000068219085 541564867 /nfs/dbraw/zinc/56/48/67/541564867.db2.gz VOVCIUPVVLSGAM-UHFFFAOYSA-N 1 2 365.353 2.451 20 30 FEEDLO CC(C)(C)NC(=O)C[N@@H+]1CCCN(C(=O)Nc2ccc(CC#N)cc2)CC1 ZINC000076084938 542231432 /nfs/dbraw/zinc/23/14/32/542231432.db2.gz ZQLJCYBRHARTIW-UHFFFAOYSA-N 1 2 371.485 2.207 20 30 FEEDLO CC(C)(C)NC(=O)C[N@H+]1CCCN(C(=O)Nc2ccc(CC#N)cc2)CC1 ZINC000076084938 542231433 /nfs/dbraw/zinc/23/14/33/542231433.db2.gz ZQLJCYBRHARTIW-UHFFFAOYSA-N 1 2 371.485 2.207 20 30 FEEDLO CCOC(=O)CCCNC(=O)C[N@@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000076152861 542238177 /nfs/dbraw/zinc/23/81/77/542238177.db2.gz FULNOVADDWWJMG-ROUUACIJSA-N 1 2 357.454 2.218 20 30 FEEDLO CCOC(=O)CCCNC(=O)C[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000076152861 542238181 /nfs/dbraw/zinc/23/81/81/542238181.db2.gz FULNOVADDWWJMG-ROUUACIJSA-N 1 2 357.454 2.218 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@H]3Cc4cc(F)ccc4O3)CC2)cc1 ZINC000076941231 542331274 /nfs/dbraw/zinc/33/12/74/542331274.db2.gz BNSZQGJWNJSABS-HXUWFJFHSA-N 1 2 365.408 2.345 20 30 FEEDLO C[C@@H](C#N)OCC[NH+]1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000801911366 674154464 /nfs/dbraw/zinc/15/44/64/674154464.db2.gz YHQHYHABQXLXNZ-ZDUSSCGKSA-N 1 2 355.360 2.392 20 30 FEEDLO CSc1[nH]c(=O)c(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1C#N ZINC000079134679 542503087 /nfs/dbraw/zinc/50/30/87/542503087.db2.gz ZVHVHADYIAZGEH-OAHLLOKOSA-N 1 2 368.462 2.385 20 30 FEEDLO CSc1[nH]c(=O)c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1C#N ZINC000079134679 542503089 /nfs/dbraw/zinc/50/30/89/542503089.db2.gz ZVHVHADYIAZGEH-OAHLLOKOSA-N 1 2 368.462 2.385 20 30 FEEDLO N#Cc1ccsc1N1CC[C@H](N2CC[NH+](Cc3ccco3)CC2)C1=O ZINC000083132540 542692120 /nfs/dbraw/zinc/69/21/20/542692120.db2.gz CMPJRZFZAWHYPE-INIZCTEOSA-N 1 2 356.451 2.136 20 30 FEEDLO N#Cc1ccsc1N1CC[C@@H]([NH+]2CCC(NC(=O)C3CCC3)CC2)C1=O ZINC000083170389 542692984 /nfs/dbraw/zinc/69/29/84/542692984.db2.gz SZUADJCJRNJOCO-MRXNPFEDSA-N 1 2 372.494 2.106 20 30 FEEDLO COC(=O)c1ccc(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)cc1F ZINC000089102621 542758036 /nfs/dbraw/zinc/75/80/36/542758036.db2.gz UTFSVEBBUFRMCG-UHFFFAOYSA-N 1 2 354.385 2.201 20 30 FEEDLO CNC(=O)CC1CC[NH+](Cc2c(C#N)c(C)nn2-c2ccccc2)CC1 ZINC000091071674 542793035 /nfs/dbraw/zinc/79/30/35/542793035.db2.gz IGVNYGCPYRRQBN-UHFFFAOYSA-N 1 2 351.454 2.401 20 30 FEEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCc3c(Cl)cccc3C2)CC1 ZINC000091580734 542813579 /nfs/dbraw/zinc/81/35/79/542813579.db2.gz XRTNYBWISXTZFH-LJQANCHMSA-N 1 2 374.916 2.390 20 30 FEEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CCc3c(Cl)cccc3C2)CC1 ZINC000091580734 542813584 /nfs/dbraw/zinc/81/35/84/542813584.db2.gz XRTNYBWISXTZFH-LJQANCHMSA-N 1 2 374.916 2.390 20 30 FEEDLO C=CC[N@@H+](Cc1cc(Br)ccc1O)[C@H]1CCS(=O)(=O)C1 ZINC000092360942 542859746 /nfs/dbraw/zinc/85/97/46/542859746.db2.gz FHBPHVWBNUNPOG-ZDUSSCGKSA-N 1 2 360.273 2.330 20 30 FEEDLO C=CC[N@H+](Cc1cc(Br)ccc1O)[C@H]1CCS(=O)(=O)C1 ZINC000092360942 542859748 /nfs/dbraw/zinc/85/97/48/542859748.db2.gz FHBPHVWBNUNPOG-ZDUSSCGKSA-N 1 2 360.273 2.330 20 30 FEEDLO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(Cc2ccc(C#N)cc2F)CC1 ZINC000103491925 543111671 /nfs/dbraw/zinc/11/16/71/543111671.db2.gz NSRNSNWLQAPEPO-HNNXBMFYSA-N 1 2 358.461 2.262 20 30 FEEDLO CCOCC[NH+]1CCN(CC(=O)c2cn(CCC#N)c3ccccc23)CC1 ZINC000106106082 543199109 /nfs/dbraw/zinc/19/91/09/543199109.db2.gz MNJQOVSYUWZQSN-UHFFFAOYSA-N 1 2 368.481 2.392 20 30 FEEDLO Cc1csc(N2CCC[N@H+](CC(=O)Nc3cccc(C#N)c3)CC2)n1 ZINC000108981462 543309445 /nfs/dbraw/zinc/30/94/45/543309445.db2.gz IYZWSGDATQQPNU-UHFFFAOYSA-N 1 2 355.467 2.474 20 30 FEEDLO Cc1csc(N2CCC[N@@H+](CC(=O)Nc3cccc(C#N)c3)CC2)n1 ZINC000108981462 543309448 /nfs/dbraw/zinc/30/94/48/543309448.db2.gz IYZWSGDATQQPNU-UHFFFAOYSA-N 1 2 355.467 2.474 20 30 FEEDLO COc1ccc(Br)cc1CO[NH+]=C(N)C(C)(C)NC(C)=O ZINC000112335995 543442076 /nfs/dbraw/zinc/44/20/76/543442076.db2.gz KPIXKYIZMYZURH-UHFFFAOYSA-N 1 2 358.236 2.161 20 30 FEEDLO CC(=O)NC(C)(C)C(N)=[NH+]OCc1cccc(C(=O)N2CCCCC2)c1 ZINC000112335690 543442196 /nfs/dbraw/zinc/44/21/96/543442196.db2.gz KGOCTWSKQSZISR-UHFFFAOYSA-N 1 2 360.458 2.016 20 30 FEEDLO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@@H+]2CC[C@@H](O)C2)c1C#N ZINC000114204258 543507618 /nfs/dbraw/zinc/50/76/18/543507618.db2.gz SHHNXZMXFLNERK-QGZVFWFLSA-N 1 2 370.428 2.169 20 30 FEEDLO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@H+]2CC[C@@H](O)C2)c1C#N ZINC000114204258 543507620 /nfs/dbraw/zinc/50/76/20/543507620.db2.gz SHHNXZMXFLNERK-QGZVFWFLSA-N 1 2 370.428 2.169 20 30 FEEDLO C[C@@H](C(=O)N(CCC#N)CC1CC1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000117789174 543639876 /nfs/dbraw/zinc/63/98/76/543639876.db2.gz ULXZZHADEQURPY-INIZCTEOSA-N 1 2 358.461 2.488 20 30 FEEDLO Cc1ccc([C@@H]2COCC[N@@H+]2C[C@H](O)COc2ccc(CC#N)cc2)o1 ZINC000116995494 543621019 /nfs/dbraw/zinc/62/10/19/543621019.db2.gz PXWFLEVNRKCHIG-HKUYNNGSSA-N 1 2 356.422 2.467 20 30 FEEDLO Cc1ccc([C@@H]2COCC[N@H+]2C[C@H](O)COc2ccc(CC#N)cc2)o1 ZINC000116995494 543621022 /nfs/dbraw/zinc/62/10/22/543621022.db2.gz PXWFLEVNRKCHIG-HKUYNNGSSA-N 1 2 356.422 2.467 20 30 FEEDLO C=CC[N@H+](Cc1ccc(OC[C@H]2CCCO2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000121301401 543692285 /nfs/dbraw/zinc/69/22/85/543692285.db2.gz HQAVJYSPLOSIGK-IEBWSBKVSA-N 1 2 365.495 2.420 20 30 FEEDLO C=CC[N@@H+](Cc1ccc(OC[C@H]2CCCO2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000121301401 543692289 /nfs/dbraw/zinc/69/22/89/543692289.db2.gz HQAVJYSPLOSIGK-IEBWSBKVSA-N 1 2 365.495 2.420 20 30 FEEDLO C=CCCOCCNC(=O)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000121530009 543696195 /nfs/dbraw/zinc/69/61/95/543696195.db2.gz JYPGIHICQDEPSQ-OAHLLOKOSA-N 1 2 353.488 2.013 20 30 FEEDLO C[C@H](c1cccnc1)[NH+]1CCN(CC(=O)N(C)C2(C#N)CCCCC2)CC1 ZINC000118836095 543660412 /nfs/dbraw/zinc/66/04/12/543660412.db2.gz NLANJTOFJTXOER-GOSISDBHSA-N 1 2 369.513 2.445 20 30 FEEDLO COC(=O)C1CC[NH+](CC(=O)N(CCC#N)c2cccc(Cl)c2)CC1 ZINC000123041409 543738565 /nfs/dbraw/zinc/73/85/65/543738565.db2.gz MTCWSMYKBOAZAU-UHFFFAOYSA-N 1 2 363.845 2.472 20 30 FEEDLO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000123070452 543740786 /nfs/dbraw/zinc/74/07/86/543740786.db2.gz LDYVVAKOKNTIPD-INIZCTEOSA-N 1 2 362.861 2.139 20 30 FEEDLO CN(C)C(=O)[C@@H]1CCC[N@H+]1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000123070452 543740788 /nfs/dbraw/zinc/74/07/88/543740788.db2.gz LDYVVAKOKNTIPD-INIZCTEOSA-N 1 2 362.861 2.139 20 30 FEEDLO Cc1ccc(C[NH+]2CCOCC2)cc1NS(=O)(=O)c1ccc(C#N)cc1 ZINC000127332498 543986373 /nfs/dbraw/zinc/98/63/73/543986373.db2.gz DWAPHVNLZBAUKI-UHFFFAOYSA-N 1 2 371.462 2.500 20 30 FEEDLO COc1ccccc1NC(=O)C[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC000129267901 544101789 /nfs/dbraw/zinc/10/17/89/544101789.db2.gz NFMXNHMIWHVETO-UHFFFAOYSA-N 1 2 350.422 2.328 20 30 FEEDLO C=CCC(CC=C)C(=O)Nc1ccc(C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000130363969 544148155 /nfs/dbraw/zinc/14/81/55/544148155.db2.gz NAHCZFJMHFQMNI-UHFFFAOYSA-N 1 2 371.481 2.456 20 30 FEEDLO C=CCN1C(=O)c2ccc(C(=O)NCCCNc3cccc[nH+]3)cc2C1=O ZINC000136210421 544369440 /nfs/dbraw/zinc/36/94/40/544369440.db2.gz YLHGQRPVFHYZIM-UHFFFAOYSA-N 1 2 364.405 2.096 20 30 FEEDLO CC(C)NC(=O)C[NH+]1CCN(c2ccc(C(F)(F)F)c(C#N)c2)CC1 ZINC000136882550 544380577 /nfs/dbraw/zinc/38/05/77/544380577.db2.gz LBFRJDJPNHDKIZ-UHFFFAOYSA-N 1 2 354.376 2.224 20 30 FEEDLO C=CCOc1cccc(NC(=O)C(=O)NCCCNc2cccc[nH+]2)c1 ZINC000144845504 544430903 /nfs/dbraw/zinc/43/09/03/544430903.db2.gz LWRCLYDCYMZHSE-UHFFFAOYSA-N 1 2 354.410 2.203 20 30 FEEDLO C=CCOc1cccc(NC(=O)C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000151461600 544544003 /nfs/dbraw/zinc/54/40/03/544544003.db2.gz BNNRPTAFYIFYAD-QAPCUYQASA-N 1 2 368.437 2.496 20 30 FEEDLO C[C@@H](OC1CCCCCC1)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000151630614 544564863 /nfs/dbraw/zinc/56/48/63/544564863.db2.gz OLHVHVYYHPDRJM-QGZVFWFLSA-N 1 2 351.491 2.189 20 30 FEEDLO CC(C)C[C@@H](CNC(=O)c1c(F)cc(C#N)cc1F)[NH+]1CCOCC1 ZINC000152775498 544695129 /nfs/dbraw/zinc/69/51/29/544695129.db2.gz ACDDISWBKYUXQO-AWEZNQCLSA-N 1 2 351.397 2.313 20 30 FEEDLO C=CCc1ccccc1OC[C@@H](O)CN1CC[NH+](Cc2ccncc2)CC1 ZINC000153241032 544750911 /nfs/dbraw/zinc/75/09/11/544750911.db2.gz IVDMLSMIIKVLEE-NRFANRHFSA-N 1 2 367.493 2.368 20 30 FEEDLO Cc1ccc(S(=O)(=O)NCC[N@@H+](C)CC#Cc2ccc(F)cc2)cc1 ZINC000154143342 544869958 /nfs/dbraw/zinc/86/99/58/544869958.db2.gz CXCFDFNDWNPRNZ-UHFFFAOYSA-N 1 2 360.454 2.396 20 30 FEEDLO Cc1ccc(S(=O)(=O)NCC[N@H+](C)CC#Cc2ccc(F)cc2)cc1 ZINC000154143342 544869960 /nfs/dbraw/zinc/86/99/60/544869960.db2.gz CXCFDFNDWNPRNZ-UHFFFAOYSA-N 1 2 360.454 2.396 20 30 FEEDLO COc1cc(CN(CCC#N)CC[NH+]2CCOCC2)ccc1OC(F)F ZINC000154580082 544923863 /nfs/dbraw/zinc/92/38/63/544923863.db2.gz RYAMEKFJHATIFC-UHFFFAOYSA-N 1 2 369.412 2.344 20 30 FEEDLO C=CCOc1ccccc1C(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000154839156 544956180 /nfs/dbraw/zinc/95/61/80/544956180.db2.gz JZOHOWHKKNEBKY-KRWDZBQOSA-N 1 2 371.481 2.020 20 30 FEEDLO C#CCSCCNC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(OC)cc1 ZINC000154855361 544957925 /nfs/dbraw/zinc/95/79/25/544957925.db2.gz HLOWOBBNJWJLST-INIZCTEOSA-N 1 2 358.467 2.184 20 30 FEEDLO N#Cc1c(F)cccc1C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000188219139 328074093 /nfs/dbraw/zinc/07/40/93/328074093.db2.gz KBXGXCMQWULURX-UHFFFAOYSA-N 1 2 370.403 2.388 20 30 FEEDLO CO[C@H]1C[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC[C@@H]1C ZINC000189345415 328142101 /nfs/dbraw/zinc/14/21/01/328142101.db2.gz HVLQNFJGTHEFCP-YOEHRIQHSA-N 1 2 353.426 2.039 20 30 FEEDLO CO[C@H]1C[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC[C@@H]1C ZINC000189345415 328142102 /nfs/dbraw/zinc/14/21/02/328142102.db2.gz HVLQNFJGTHEFCP-YOEHRIQHSA-N 1 2 353.426 2.039 20 30 FEEDLO CC(C)C[C@H]1C(=O)NCC[N@H+]1Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000189814485 328169547 /nfs/dbraw/zinc/16/95/47/328169547.db2.gz CATUUJDLGQIWOG-SFHVURJKSA-N 1 2 351.454 2.305 20 30 FEEDLO CC(C)C[C@H]1C(=O)NCC[N@@H+]1Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000189814485 328169548 /nfs/dbraw/zinc/16/95/48/328169548.db2.gz CATUUJDLGQIWOG-SFHVURJKSA-N 1 2 351.454 2.305 20 30 FEEDLO CCc1nnc(C2CC[NH+]([C@@H]3CCN(c4sccc4C#N)C3=O)CC2)[nH]1 ZINC000190667831 328223561 /nfs/dbraw/zinc/22/35/61/328223561.db2.gz JSGFBGFTBJYVDU-CQSZACIVSA-N 1 2 370.482 2.285 20 30 FEEDLO CCc1n[nH]c(C2CC[NH+]([C@@H]3CCN(c4sccc4C#N)C3=O)CC2)n1 ZINC000190667831 328223563 /nfs/dbraw/zinc/22/35/63/328223563.db2.gz JSGFBGFTBJYVDU-CQSZACIVSA-N 1 2 370.482 2.285 20 30 FEEDLO C[C@@H]1CN(CC[N@H+](C)CC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H](C)O1 ZINC000192449839 328319423 /nfs/dbraw/zinc/31/94/23/328319423.db2.gz GHBBONVQCFERFK-OKILXGFUSA-N 1 2 364.877 2.191 20 30 FEEDLO C[C@@H]1CN(CC[N@@H+](C)CC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H](C)O1 ZINC000192449839 328319425 /nfs/dbraw/zinc/31/94/25/328319425.db2.gz GHBBONVQCFERFK-OKILXGFUSA-N 1 2 364.877 2.191 20 30 FEEDLO C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000193767033 328394199 /nfs/dbraw/zinc/39/41/99/328394199.db2.gz VNYPQZXSCAANPW-AEFFLSMTSA-N 1 2 355.486 2.112 20 30 FEEDLO N#Cc1cc(F)ccc1N1CC[NH+](Cc2cc(=O)n3ccsc3n2)CC1 ZINC000078873932 325066303 /nfs/dbraw/zinc/06/63/03/325066303.db2.gz OUFGVFFFHYZUMA-UHFFFAOYSA-N 1 2 369.425 2.089 20 30 FEEDLO N#Cc1ccc(OCC[NH+]2CCN(C(=O)c3ccccc3O)CC2)cc1 ZINC000080929686 325148693 /nfs/dbraw/zinc/14/86/93/325148693.db2.gz BUKXEKDDSJAHGR-UHFFFAOYSA-N 1 2 351.406 2.101 20 30 FEEDLO CCCCNC(=O)[C@H]1CCC[N@@H+]([C@H](C(=O)OC)c2cccc(C#N)c2)C1 ZINC000083189502 325215730 /nfs/dbraw/zinc/21/57/30/325215730.db2.gz FPVKOWHPTUCQCU-ROUUACIJSA-N 1 2 357.454 2.401 20 30 FEEDLO CCCCNC(=O)[C@H]1CCC[N@H+]([C@H](C(=O)OC)c2cccc(C#N)c2)C1 ZINC000083189502 325215733 /nfs/dbraw/zinc/21/57/33/325215733.db2.gz FPVKOWHPTUCQCU-ROUUACIJSA-N 1 2 357.454 2.401 20 30 FEEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[NH+]1CCC(OC[C@@H]2CCCO2)CC1 ZINC000083407204 325217243 /nfs/dbraw/zinc/21/72/43/325217243.db2.gz MFWKCACVCAPRBD-RBUKOAKNSA-N 1 2 358.438 2.432 20 30 FEEDLO Cc1ccc(C#N)cc1NC(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000088376741 325293244 /nfs/dbraw/zinc/29/32/44/325293244.db2.gz JPSJTQIUYDCOSR-INIZCTEOSA-N 1 2 369.469 2.027 20 30 FEEDLO COc1ccc(C#N)cc1CN1CC[NH+](CC(=O)NC2CCCCC2)CC1 ZINC000119078893 326124789 /nfs/dbraw/zinc/12/47/89/326124789.db2.gz OKIJHBUWAPSIFK-UHFFFAOYSA-N 1 2 370.497 2.133 20 30 FEEDLO COc1ccc(C#N)cc1C[NH+]1CCN(CC(=O)NC2CCCCC2)CC1 ZINC000119078893 326124791 /nfs/dbraw/zinc/12/47/91/326124791.db2.gz OKIJHBUWAPSIFK-UHFFFAOYSA-N 1 2 370.497 2.133 20 30 FEEDLO C[NH+](C)[C@@H](CNS(=O)(=O)Cc1cc(C#N)ccc1F)c1ccco1 ZINC000120419506 326257436 /nfs/dbraw/zinc/25/74/36/326257436.db2.gz SKLMBQSNJPLTRO-HNNXBMFYSA-N 1 2 351.403 2.013 20 30 FEEDLO C[C@H](Oc1ccccc1C#N)C(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000130925879 326565829 /nfs/dbraw/zinc/56/58/29/326565829.db2.gz KVWLCKSDBZNMQI-INIZCTEOSA-N 1 2 365.433 2.376 20 30 FEEDLO CCN1CC[NH+]([C@H]2CCN(C(=O)Nc3cc(C#N)cn3C(C)(C)C)C2)CC1 ZINC000171682997 327154996 /nfs/dbraw/zinc/15/49/96/327154996.db2.gz KHPYXYUSGYHMGT-KRWDZBQOSA-N 1 2 372.517 2.358 20 30 FEEDLO N#Cc1cccc(CN2CC[NH+](CCNC(=O)c3ccccc3F)CC2)c1 ZINC000172570397 327208981 /nfs/dbraw/zinc/20/89/81/327208981.db2.gz KSQSSCURJQHIKO-UHFFFAOYSA-N 1 2 366.440 2.245 20 30 FEEDLO CNc1cc(N2CCC[C@H]2CNC(=O)/C=C/c2cccc(C#N)c2)nc[nH+]1 ZINC000173431427 327256154 /nfs/dbraw/zinc/25/61/54/327256154.db2.gz YGFYDZHLTNHEIO-OZSKJFCKSA-N 1 2 362.437 2.188 20 30 FEEDLO CNc1cc(N2CCC[C@H]2CNC(=O)/C=C/c2cccc(C#N)c2)[nH+]cn1 ZINC000173431427 327256155 /nfs/dbraw/zinc/25/61/55/327256155.db2.gz YGFYDZHLTNHEIO-OZSKJFCKSA-N 1 2 362.437 2.188 20 30 FEEDLO Cn1ncc(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)c1C(F)(F)F ZINC000176994037 327489139 /nfs/dbraw/zinc/48/91/39/327489139.db2.gz GCTXWKAJUVLCJX-UHFFFAOYSA-N 1 2 350.348 2.028 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)N2CC[NH+](C3CC3)CC2)cc1C(F)(F)F ZINC000177652252 327535616 /nfs/dbraw/zinc/53/56/16/327535616.db2.gz WUSCIHPJYIDPCQ-UHFFFAOYSA-N 1 2 359.373 2.046 20 30 FEEDLO CC(C)(C)OC(=O)C1CC[NH+](CC(=O)NCc2ccc(C#N)cc2)CC1 ZINC000263887670 328971900 /nfs/dbraw/zinc/97/19/00/328971900.db2.gz QPYOXLQSZVTGKX-UHFFFAOYSA-N 1 2 357.454 2.228 20 30 FEEDLO CCN1CC[NH+]([C@@H]2CCN(C(=O)N[C@@H](C)c3ccc(C#N)cc3)C2)CC1 ZINC000264370369 329015333 /nfs/dbraw/zinc/01/53/33/329015333.db2.gz GKODIRJTFYIGBB-QFBILLFUSA-N 1 2 355.486 2.041 20 30 FEEDLO Cc1cn2cc(NC(=O)N3CCN(c4ccc(C#N)cn4)CC3)ccc2[nH+]1 ZINC000265724952 329153959 /nfs/dbraw/zinc/15/39/59/329153959.db2.gz QHXLCWLHSFFEQD-UHFFFAOYSA-N 1 2 361.409 2.264 20 30 FEEDLO N#Cc1cc([N+](=O)[O-])cnc1NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000266450654 329224347 /nfs/dbraw/zinc/22/43/47/329224347.db2.gz WIJLYVRMEOOCJR-QGZVFWFLSA-N 1 2 353.382 2.174 20 30 FEEDLO N#Cc1cc([N+](=O)[O-])cnc1NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000266450654 329224348 /nfs/dbraw/zinc/22/43/48/329224348.db2.gz WIJLYVRMEOOCJR-QGZVFWFLSA-N 1 2 353.382 2.174 20 30 FEEDLO COC(=O)[C@@H]1CCC[C@@H](C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000266871952 329267821 /nfs/dbraw/zinc/26/78/21/329267821.db2.gz XYKAWKKITUVMEM-RTBURBONSA-N 1 2 369.465 2.182 20 30 FEEDLO COc1cc(C)[nH+]c(CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)c1 ZINC000271236264 329675798 /nfs/dbraw/zinc/67/57/98/329675798.db2.gz WUHDPAGKMVJOKT-IBGZPJMESA-N 1 2 350.378 2.238 20 30 FEEDLO C[C@@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@@H]1CCCCO1 ZINC000272048695 329747936 /nfs/dbraw/zinc/74/79/36/329747936.db2.gz XLEAKIAUJMJECJ-APWZRJJASA-N 1 2 356.470 2.343 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NOCCC(F)(F)F)CC2)cc1 ZINC000275032077 330003812 /nfs/dbraw/zinc/00/38/12/330003812.db2.gz KRWILOVWNSMJNG-UHFFFAOYSA-N 1 2 356.348 2.269 20 30 FEEDLO C#C[C@H](NC(=O)NCC[N@H+]1CCOC[C@@H]1C)c1ccc(Cl)cc1F ZINC000805187784 674324993 /nfs/dbraw/zinc/32/49/93/674324993.db2.gz VVFPYENINMOQIM-LRDDRELGSA-N 1 2 353.825 2.173 20 30 FEEDLO C#C[C@H](NC(=O)NCC[N@@H+]1CCOC[C@@H]1C)c1ccc(Cl)cc1F ZINC000805187784 674324994 /nfs/dbraw/zinc/32/49/94/674324994.db2.gz VVFPYENINMOQIM-LRDDRELGSA-N 1 2 353.825 2.173 20 30 FEEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCCN(CC(F)(F)F)CC1 ZINC000155902328 545582707 /nfs/dbraw/zinc/58/27/07/545582707.db2.gz CKRLZKWYYAMSEA-ZDUSSCGKSA-N 1 2 354.376 2.455 20 30 FEEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCCN(CC(F)(F)F)CC1 ZINC000155902328 545582710 /nfs/dbraw/zinc/58/27/10/545582710.db2.gz CKRLZKWYYAMSEA-ZDUSSCGKSA-N 1 2 354.376 2.455 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccc(OC(F)F)c(F)c1 ZINC000156418035 545626222 /nfs/dbraw/zinc/62/62/22/545626222.db2.gz AXUMPLLJEAHFIK-UHFFFAOYSA-N 1 2 357.376 2.475 20 30 FEEDLO N#Cc1ccc([C@H](O)C[N@@H+]2CCN(Cc3cccc(F)c3)C(=O)C2)cc1 ZINC000156514175 545632755 /nfs/dbraw/zinc/63/27/55/545632755.db2.gz BADGCVNRZHGWLD-LJQANCHMSA-N 1 2 353.397 2.075 20 30 FEEDLO N#Cc1ccc([C@H](O)C[N@H+]2CCN(Cc3cccc(F)c3)C(=O)C2)cc1 ZINC000156514175 545632757 /nfs/dbraw/zinc/63/27/57/545632757.db2.gz BADGCVNRZHGWLD-LJQANCHMSA-N 1 2 353.397 2.075 20 30 FEEDLO CC(C)C(=O)NCC[N@H+](C)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000157322805 545727853 /nfs/dbraw/zinc/72/78/53/545727853.db2.gz FNJITLYWJKMLAA-UHFFFAOYSA-N 1 2 354.454 2.442 20 30 FEEDLO CC(C)C(=O)NCC[N@@H+](C)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000157322805 545727858 /nfs/dbraw/zinc/72/78/58/545727858.db2.gz FNJITLYWJKMLAA-UHFFFAOYSA-N 1 2 354.454 2.442 20 30 FEEDLO C[C@@H](NC(=O)c1ccc(COc2ccccc2C#N)o1)[C@@H]1C[N@H+](C)CCO1 ZINC000157513203 545749904 /nfs/dbraw/zinc/74/99/04/545749904.db2.gz QBQXFPIDMNOZBM-KUHUBIRLSA-N 1 2 369.421 2.179 20 30 FEEDLO C[C@@H](NC(=O)c1ccc(COc2ccccc2C#N)o1)[C@@H]1C[N@@H+](C)CCO1 ZINC000157513203 545749911 /nfs/dbraw/zinc/74/99/11/545749911.db2.gz QBQXFPIDMNOZBM-KUHUBIRLSA-N 1 2 369.421 2.179 20 30 FEEDLO C[C@H](NC(=O)c1ccc(COc2ccccc2C#N)o1)[C@@H]1C[N@H+](C)CCO1 ZINC000157513065 545750606 /nfs/dbraw/zinc/75/06/06/545750606.db2.gz QBQXFPIDMNOZBM-LIRRHRJNSA-N 1 2 369.421 2.179 20 30 FEEDLO C[C@H](NC(=O)c1ccc(COc2ccccc2C#N)o1)[C@@H]1C[N@@H+](C)CCO1 ZINC000157513065 545750610 /nfs/dbraw/zinc/75/06/10/545750610.db2.gz QBQXFPIDMNOZBM-LIRRHRJNSA-N 1 2 369.421 2.179 20 30 FEEDLO C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCC[NH+]1CCOCC1 ZINC000158460372 545861897 /nfs/dbraw/zinc/86/18/97/545861897.db2.gz JTAVTACYISHYJD-UHFFFAOYSA-N 1 2 358.360 2.332 20 30 FEEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C[C@@H](C)c2ccc(CC)cc2)CC1 ZINC000159069347 545919249 /nfs/dbraw/zinc/91/92/49/545919249.db2.gz HQGWTDAYMRQWKV-GOSISDBHSA-N 1 2 369.509 2.026 20 30 FEEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C[C@@H](C)c2ccc(CC)cc2)CC1 ZINC000159069347 545919251 /nfs/dbraw/zinc/91/92/51/545919251.db2.gz HQGWTDAYMRQWKV-GOSISDBHSA-N 1 2 369.509 2.026 20 30 FEEDLO N#CCCCOc1cccc(C[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)c1 ZINC000160986364 546090569 /nfs/dbraw/zinc/09/05/69/546090569.db2.gz UGTJBOPEOCURSV-LJQANCHMSA-N 1 2 357.454 2.192 20 30 FEEDLO C=CCNC(=O)c1ccc(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000161113981 546101768 /nfs/dbraw/zinc/10/17/68/546101768.db2.gz IWZPLRDZJCKWMN-KRWDZBQOSA-N 1 2 365.437 2.398 20 30 FEEDLO Cc1ccc2cc(C(=O)N(CCC#N)CC[NH+]3CCOCC3)ccc2n1 ZINC000161166601 546105590 /nfs/dbraw/zinc/10/55/90/546105590.db2.gz LHXGYWPCSKXYPH-UHFFFAOYSA-N 1 2 352.438 2.231 20 30 FEEDLO CCc1ccc(C[NH+]2CCN(S(=O)(=O)CC3(C#N)CC3)CC2)s1 ZINC000165422216 546153526 /nfs/dbraw/zinc/15/35/26/546153526.db2.gz RIFWKXTZMYCANX-UHFFFAOYSA-N 1 2 353.513 2.062 20 30 FEEDLO Cc1cc[nH+]c(N2CCN([C@@H](C)C(=O)NC3(C#N)CCCCC3)CC2)c1 ZINC000166166627 546154698 /nfs/dbraw/zinc/15/46/98/546154698.db2.gz YAUALSQMQRKRLU-KRWDZBQOSA-N 1 2 355.486 2.243 20 30 FEEDLO CCc1nc(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)sc1C ZINC000177083098 546541462 /nfs/dbraw/zinc/54/14/62/546541462.db2.gz DWFGXJHXQRUESQ-UHFFFAOYSA-N 1 2 351.476 2.094 20 30 FEEDLO N#Cc1cccc(OCC[NH+]2CCN(C(=O)c3ccc(O)cc3)CC2)c1 ZINC000177179225 546562957 /nfs/dbraw/zinc/56/29/57/546562957.db2.gz IIIAZYOIWCMDCQ-UHFFFAOYSA-N 1 2 351.406 2.101 20 30 FEEDLO CCN(CC)C(=O)CO[NH+]=C(N)c1cccc(Cn2nc(C)cc2C)c1 ZINC000177573434 546646369 /nfs/dbraw/zinc/64/63/69/546646369.db2.gz BGQJEAZMSUTTJE-UHFFFAOYSA-N 1 2 357.458 2.054 20 30 FEEDLO COc1ccc(C(=O)N2CC[NH+](C[C@@H](O)c3ccc(C#N)cc3)CC2)cc1 ZINC000177993342 546718656 /nfs/dbraw/zinc/71/86/56/546718656.db2.gz NBFPPJAHAFCYPZ-HXUWFJFHSA-N 1 2 365.433 2.058 20 30 FEEDLO COc1ccc(CC(N)=[NH+]O[C@@H](C)C(=O)NCCc2cccs2)cc1 ZINC000178147757 546746637 /nfs/dbraw/zinc/74/66/37/546746637.db2.gz BENUPBSXAGCZSR-ZDUSSCGKSA-N 1 2 361.467 2.335 20 30 FEEDLO CCCCCNC(=O)[C@H](C)O[NH+]=C(N)c1ccc(-n2nc(C)cc2C)nc1 ZINC000178157552 546749673 /nfs/dbraw/zinc/74/96/73/546749673.db2.gz XMEQHZTXKSZSTD-HNNXBMFYSA-N 1 2 372.473 2.216 20 30 FEEDLO COc1cc(C[NH+]2CCN(C[C@H](C#N)CCC#N)CC2)cc(OC)c1OC ZINC000178468310 546798889 /nfs/dbraw/zinc/79/88/89/546798889.db2.gz CWKNDENYPTVRQE-INIZCTEOSA-N 1 2 372.469 2.274 20 30 FEEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)cc1 ZINC000179518973 546969286 /nfs/dbraw/zinc/96/92/86/546969286.db2.gz DIPJBVPPIXGVRV-OAHLLOKOSA-N 1 2 350.426 2.372 20 30 FEEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)cc1 ZINC000179518973 546969290 /nfs/dbraw/zinc/96/92/90/546969290.db2.gz DIPJBVPPIXGVRV-OAHLLOKOSA-N 1 2 350.426 2.372 20 30 FEEDLO C=CCNC(=O)C[NH+]1CCN(Cc2cc(F)cc(Br)c2)CC1 ZINC000482817759 561260503 /nfs/dbraw/zinc/26/05/03/561260503.db2.gz GUPUPBHKCMBDJU-UHFFFAOYSA-N 1 2 370.266 2.008 20 30 FEEDLO C=CCOc1ccc(C[N@H+]2CC[C@H](S(=O)(=O)NCC)C2)cc1Cl ZINC000181559321 547334797 /nfs/dbraw/zinc/33/47/97/547334797.db2.gz RARWDESVMBOGPJ-AWEZNQCLSA-N 1 2 358.891 2.418 20 30 FEEDLO C=CCOc1ccc(C[N@@H+]2CC[C@H](S(=O)(=O)NCC)C2)cc1Cl ZINC000181559321 547334802 /nfs/dbraw/zinc/33/48/02/547334802.db2.gz RARWDESVMBOGPJ-AWEZNQCLSA-N 1 2 358.891 2.418 20 30 FEEDLO N#Cc1csc(C[N@H+]2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)c1 ZINC000182310960 547472264 /nfs/dbraw/zinc/47/22/64/547472264.db2.gz ISDPMAIWXQCUFS-MRXNPFEDSA-N 1 2 353.513 2.446 20 30 FEEDLO N#Cc1csc(C[N@@H+]2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)c1 ZINC000182310960 547472266 /nfs/dbraw/zinc/47/22/66/547472266.db2.gz ISDPMAIWXQCUFS-MRXNPFEDSA-N 1 2 353.513 2.446 20 30 FEEDLO C=CC[C@@H](CO)NC(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000183408054 547653367 /nfs/dbraw/zinc/65/33/67/547653367.db2.gz DTIDEGDRRKOXHN-KBPBESRZSA-N 1 2 353.413 2.165 20 30 FEEDLO C=CC[C@@H](CO)NC(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000183408054 547653372 /nfs/dbraw/zinc/65/33/72/547653372.db2.gz DTIDEGDRRKOXHN-KBPBESRZSA-N 1 2 353.413 2.165 20 30 FEEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCOCC3(CCOCC3)C2)c(C#N)c1C ZINC000184123234 547773346 /nfs/dbraw/zinc/77/33/46/547773346.db2.gz RWWOKQAOGNQOLH-AWEZNQCLSA-N 1 2 361.442 2.224 20 30 FEEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CCOCC3(CCOCC3)C2)c(C#N)c1C ZINC000184123234 547773348 /nfs/dbraw/zinc/77/33/48/547773348.db2.gz RWWOKQAOGNQOLH-AWEZNQCLSA-N 1 2 361.442 2.224 20 30 FEEDLO COC(=O)[C@H]1Cc2ccccc2CN1C(=O)C[N@H+](CCC#N)CCC(C)C ZINC000484916676 561308738 /nfs/dbraw/zinc/30/87/38/561308738.db2.gz CDUCJGWEZOKSMN-LJQANCHMSA-N 1 2 371.481 2.375 20 30 FEEDLO COC(=O)[C@H]1Cc2ccccc2CN1C(=O)C[N@@H+](CCC#N)CCC(C)C ZINC000484916676 561308739 /nfs/dbraw/zinc/30/87/39/561308739.db2.gz CDUCJGWEZOKSMN-LJQANCHMSA-N 1 2 371.481 2.375 20 30 FEEDLO Cn1cc([C@H]([NH2+]CC(=O)N[C@](C)(C#N)C2CC2)c2ccc(F)cc2)cn1 ZINC000184585083 547850202 /nfs/dbraw/zinc/85/02/02/547850202.db2.gz CNAHNFSTKSVXQW-RTBURBONSA-N 1 2 355.417 2.047 20 30 FEEDLO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@H](C)c1nc(Cc2ccccc2)no1 ZINC000185416044 547981607 /nfs/dbraw/zinc/98/16/07/547981607.db2.gz JODFVZIFBMWRJS-HUUCEWRRSA-N 1 2 355.442 2.319 20 30 FEEDLO C=CCCO[C@@H](C)C(=O)Nc1cccc(C[NH+]2CCN(C(C)=O)CC2)c1 ZINC000187158454 548252093 /nfs/dbraw/zinc/25/20/93/548252093.db2.gz LAIABXNFZVKCQZ-INIZCTEOSA-N 1 2 359.470 2.270 20 30 FEEDLO COC(=O)[C@H]1[C@H]2CCC[C@@H]2C[N@@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000191210403 548341761 /nfs/dbraw/zinc/34/17/61/548341761.db2.gz VWTKJZHSLJHDQL-HHXXYDBFSA-N 1 2 355.438 2.207 20 30 FEEDLO COC(=O)[C@H]1[C@H]2CCC[C@@H]2C[N@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000191210403 548341766 /nfs/dbraw/zinc/34/17/66/548341766.db2.gz VWTKJZHSLJHDQL-HHXXYDBFSA-N 1 2 355.438 2.207 20 30 FEEDLO N#CCCN(CCC#N)C(=O)C[NH+]1CCC(O)(c2ccccc2Cl)CC1 ZINC000193159927 548381833 /nfs/dbraw/zinc/38/18/33/548381833.db2.gz MZCPTHVKWXOJST-UHFFFAOYSA-N 1 2 374.872 2.279 20 30 FEEDLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C#N)C1CCCCC1 ZINC000486587353 561351734 /nfs/dbraw/zinc/35/17/34/561351734.db2.gz NYPHBSMYDYOICE-SJORKVTESA-N 1 2 359.474 2.072 20 30 FEEDLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C#N)C1CCCCC1 ZINC000486587353 561351735 /nfs/dbraw/zinc/35/17/35/561351735.db2.gz NYPHBSMYDYOICE-SJORKVTESA-N 1 2 359.474 2.072 20 30 FEEDLO CN(C(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1)C1(C#N)CCC1 ZINC000194507778 548491642 /nfs/dbraw/zinc/49/16/42/548491642.db2.gz QVYVCFCYJWJCCW-UHFFFAOYSA-N 1 2 351.410 2.430 20 30 FEEDLO C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2CC(=O)Nc2ccc(C#N)cc2)C[C@@H](C)O1 ZINC000194572516 548500672 /nfs/dbraw/zinc/50/06/72/548500672.db2.gz MONONSRNRZBOBT-MDZRGWNJSA-N 1 2 356.470 2.070 20 30 FEEDLO C[C@@H]1CN(C[C@@H]2CCC[N@H+]2CC(=O)Nc2ccc(C#N)cc2)C[C@@H](C)O1 ZINC000194572516 548500676 /nfs/dbraw/zinc/50/06/76/548500676.db2.gz MONONSRNRZBOBT-MDZRGWNJSA-N 1 2 356.470 2.070 20 30 FEEDLO C[C@@H]1CN(c2ccc(CNC(=O)Cc3ccc(C#N)cc3)c[nH+]2)CCO1 ZINC000194739936 548525137 /nfs/dbraw/zinc/52/51/37/548525137.db2.gz PVKOZFFFWFWUJD-OAHLLOKOSA-N 1 2 350.422 2.037 20 30 FEEDLO N#Cc1ccc(CC(=O)NC[C@H](c2cccs2)[NH+]2CCOCC2)cc1 ZINC000194840059 548539208 /nfs/dbraw/zinc/53/92/08/548539208.db2.gz YQTBJNPRECOQOV-QGZVFWFLSA-N 1 2 355.463 2.352 20 30 FEEDLO CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000194920028 548550746 /nfs/dbraw/zinc/55/07/46/548550746.db2.gz ILGLSOSHKGHYEI-SFHVURJKSA-N 1 2 359.470 2.189 20 30 FEEDLO CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000194920028 548550748 /nfs/dbraw/zinc/55/07/48/548550748.db2.gz ILGLSOSHKGHYEI-SFHVURJKSA-N 1 2 359.470 2.189 20 30 FEEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccccc1)C1CC1 ZINC000245409708 548910629 /nfs/dbraw/zinc/91/06/29/548910629.db2.gz NPSSKJXZVWWAAT-RXVVDRJESA-N 1 2 368.481 2.079 20 30 FEEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccccc1)C1CC1 ZINC000245409708 548910631 /nfs/dbraw/zinc/91/06/31/548910631.db2.gz NPSSKJXZVWWAAT-RXVVDRJESA-N 1 2 368.481 2.079 20 30 FEEDLO N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CC[C@@](O)(C(F)(F)F)C3)C2=O)cc1 ZINC000245531620 548940754 /nfs/dbraw/zinc/94/07/54/548940754.db2.gz TZTSFERLZSNPKJ-ZBFHGGJFSA-N 1 2 353.344 2.053 20 30 FEEDLO N#Cc1ccc(N2CCC[C@@H]([N@H+]3CC[C@@](O)(C(F)(F)F)C3)C2=O)cc1 ZINC000245531620 548940756 /nfs/dbraw/zinc/94/07/56/548940756.db2.gz TZTSFERLZSNPKJ-ZBFHGGJFSA-N 1 2 353.344 2.053 20 30 FEEDLO CC[N@@H+](CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)C[C@H](C)C#N ZINC000245856393 549005199 /nfs/dbraw/zinc/00/51/99/549005199.db2.gz HLSRAAZWFBMQNZ-VQIMIIECSA-N 1 2 371.460 2.016 20 30 FEEDLO CC[N@H+](CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)C[C@H](C)C#N ZINC000245856393 549005203 /nfs/dbraw/zinc/00/52/03/549005203.db2.gz HLSRAAZWFBMQNZ-VQIMIIECSA-N 1 2 371.460 2.016 20 30 FEEDLO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCNC(=O)[C@H]1c1ccccc1 ZINC000246868842 549231296 /nfs/dbraw/zinc/23/12/96/549231296.db2.gz PYMZLXKTKKBXHF-PZJWPPBQSA-N 1 2 366.461 2.328 20 30 FEEDLO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCNC(=O)[C@H]1c1ccccc1 ZINC000246868842 549231297 /nfs/dbraw/zinc/23/12/97/549231297.db2.gz PYMZLXKTKKBXHF-PZJWPPBQSA-N 1 2 366.461 2.328 20 30 FEEDLO CCCCNc1cc(N2CC[C@@H](Oc3ccc(C#N)cn3)C2)nc(N)[nH+]1 ZINC000489001148 561401305 /nfs/dbraw/zinc/40/13/05/561401305.db2.gz HVYKOXQHLPQJSV-CQSZACIVSA-N 1 2 353.430 2.195 20 30 FEEDLO CCCCNc1cc(N2CC[C@@H](Oc3ccc(C#N)cn3)C2)[nH+]c(N)n1 ZINC000489001148 561401306 /nfs/dbraw/zinc/40/13/06/561401306.db2.gz HVYKOXQHLPQJSV-CQSZACIVSA-N 1 2 353.430 2.195 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)cc1F ZINC000489057984 561402399 /nfs/dbraw/zinc/40/23/99/561402399.db2.gz BWDVYYNBAUZIEN-INIZCTEOSA-N 1 2 363.414 2.406 20 30 FEEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1)C1CC1 ZINC000248411567 549432033 /nfs/dbraw/zinc/43/20/33/549432033.db2.gz DVACTZJRYRTAGX-CJNGLKHVSA-N 1 2 369.391 2.347 20 30 FEEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1)C1CC1 ZINC000248411567 549432037 /nfs/dbraw/zinc/43/20/37/549432037.db2.gz DVACTZJRYRTAGX-CJNGLKHVSA-N 1 2 369.391 2.347 20 30 FEEDLO C=CCCCS(=O)(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000489682528 561416980 /nfs/dbraw/zinc/41/69/80/561416980.db2.gz WAPNTTOIBKWRCP-UHFFFAOYSA-N 1 2 371.934 2.348 20 30 FEEDLO COCC[N@H+](CC(=O)N(CCC#N)c1cc(C)cc(C)c1)[C@H]1CCOC1 ZINC000490071616 561425759 /nfs/dbraw/zinc/42/57/59/561425759.db2.gz JFXUAETXQOYMKF-SFHVURJKSA-N 1 2 359.470 2.287 20 30 FEEDLO COCC[N@@H+](CC(=O)N(CCC#N)c1cc(C)cc(C)c1)[C@H]1CCOC1 ZINC000490071616 561425760 /nfs/dbraw/zinc/42/57/60/561425760.db2.gz JFXUAETXQOYMKF-SFHVURJKSA-N 1 2 359.470 2.287 20 30 FEEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CCC[C@H]1c1cccc2c1OCCO2)C1CC1 ZINC000263898209 549952394 /nfs/dbraw/zinc/95/23/94/549952394.db2.gz YHKWKJMGYPPSPW-OXJNMPFZSA-N 1 2 355.438 2.403 20 30 FEEDLO C[C@](C#N)(NC(=O)C[N@H+]1CCC[C@H]1c1cccc2c1OCCO2)C1CC1 ZINC000263898209 549952397 /nfs/dbraw/zinc/95/23/97/549952397.db2.gz YHKWKJMGYPPSPW-OXJNMPFZSA-N 1 2 355.438 2.403 20 30 FEEDLO Cc1n[nH]c(C)c1NC(=O)C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000264120209 549981435 /nfs/dbraw/zinc/98/14/35/549981435.db2.gz KVNZDYJDUFKIOV-UHFFFAOYSA-N 1 2 353.426 2.380 20 30 FEEDLO COc1ccc(C(N)=[NH+]O[C@H](C)C(=O)Nc2cc(OC)ccc2OC)cc1 ZINC000264983301 550004446 /nfs/dbraw/zinc/00/44/46/550004446.db2.gz RMEGKNMWYZTMKV-GFCCVEGCSA-N 1 2 373.409 2.377 20 30 FEEDLO CC(C)CO[C@@H](C)C(N)=[NH+]O[C@H](C)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000266227410 550018258 /nfs/dbraw/zinc/01/82/58/550018258.db2.gz SXWCZRVFFZCDMH-QWHCGFSZSA-N 1 2 365.430 2.135 20 30 FEEDLO CCN(CC)C(=O)C[N@H+](C)[C@H](C)C(=O)N(CCC#N)c1ccc(C)cc1 ZINC000266686893 550023028 /nfs/dbraw/zinc/02/30/28/550023028.db2.gz UKMCSVPZJPDLFW-QGZVFWFLSA-N 1 2 358.486 2.430 20 30 FEEDLO CCN(CC)C(=O)C[N@@H+](C)[C@H](C)C(=O)N(CCC#N)c1ccc(C)cc1 ZINC000266686893 550023033 /nfs/dbraw/zinc/02/30/33/550023033.db2.gz UKMCSVPZJPDLFW-QGZVFWFLSA-N 1 2 358.486 2.430 20 30 FEEDLO C[C@@H](CCOc1ccccc1)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000266751250 550023588 /nfs/dbraw/zinc/02/35/88/550023588.db2.gz XPJRQUYKMJHATK-SFHVURJKSA-N 1 2 359.470 2.166 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCCCc3ccccn3)CC2)cc1 ZINC000269420759 550193260 /nfs/dbraw/zinc/19/32/60/550193260.db2.gz DKJXRTYOEAUAGM-UHFFFAOYSA-N 1 2 363.465 2.413 20 30 FEEDLO CCOc1ccccc1NC(=O)CO[NH+]=C(N)c1ccc2c(c1)CCO2 ZINC000269878229 550233129 /nfs/dbraw/zinc/23/31/29/550233129.db2.gz QKJIDOQNYGCNFZ-UHFFFAOYSA-N 1 2 355.394 2.296 20 30 FEEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCN(c2cncc(F)c2)CC1 ZINC000271002787 550330409 /nfs/dbraw/zinc/33/04/09/550330409.db2.gz YZFFCMYFZFDGRO-OAHLLOKOSA-N 1 2 359.449 2.074 20 30 FEEDLO C#CCCC[NH+]1CCN(S(=O)(=O)c2cccc3c2N=S=N3)CC1 ZINC000271080547 550338461 /nfs/dbraw/zinc/33/84/61/550338461.db2.gz YINPEQJIYZBHOP-UHFFFAOYSA-N 1 2 350.469 2.133 20 30 FEEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000271277902 550360104 /nfs/dbraw/zinc/36/01/04/550360104.db2.gz OVRNERZMBQFVCZ-CQSZACIVSA-N 1 2 354.433 2.264 20 30 FEEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000271277902 550360106 /nfs/dbraw/zinc/36/01/06/550360106.db2.gz OVRNERZMBQFVCZ-CQSZACIVSA-N 1 2 354.433 2.264 20 30 FEEDLO CSc1ccccc1NC(=O)CN(C)C(=O)C[NH+]1CCC(C)(C#N)CC1 ZINC000272480754 550452126 /nfs/dbraw/zinc/45/21/26/550452126.db2.gz BAJCPYPKBOCSCU-UHFFFAOYSA-N 1 2 374.510 2.431 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1ccc(OC2CCCC2)nc1 ZINC000272989450 550479725 /nfs/dbraw/zinc/47/97/25/550479725.db2.gz MIAZCCZWCAASAY-UHFFFAOYSA-N 1 2 372.469 2.091 20 30 FEEDLO C#CCOc1cccc(NC(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)c1 ZINC000273732424 550509515 /nfs/dbraw/zinc/50/95/15/550509515.db2.gz QVCNFUDBPYAZCV-UHFFFAOYSA-N 1 2 351.410 2.151 20 30 FEEDLO N#Cc1ccc(N2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)c(Cl)c1 ZINC000277905677 550727575 /nfs/dbraw/zinc/72/75/75/550727575.db2.gz WXIVUJUWGYZDGX-UHFFFAOYSA-N 1 2 360.805 2.139 20 30 FEEDLO CC(C)(C(=O)NCC#Cc1cccc(C(F)(F)F)c1)[NH+]1CCOCC1 ZINC000278638000 550806912 /nfs/dbraw/zinc/80/69/12/550806912.db2.gz NQCXPNJZRQFVLP-UHFFFAOYSA-N 1 2 354.372 2.284 20 30 FEEDLO C=CC[N@@H+](C[C@H](O)Cc1ccc2ccccc2c1)[C@@H]1CCS(=O)(=O)C1 ZINC000279689933 550917200 /nfs/dbraw/zinc/91/72/00/550917200.db2.gz HSHDGVKMGSMOQZ-WOJBJXKFSA-N 1 2 359.491 2.418 20 30 FEEDLO C=CC[N@H+](C[C@H](O)Cc1ccc2ccccc2c1)[C@@H]1CCS(=O)(=O)C1 ZINC000279689933 550917202 /nfs/dbraw/zinc/91/72/02/550917202.db2.gz HSHDGVKMGSMOQZ-WOJBJXKFSA-N 1 2 359.491 2.418 20 30 FEEDLO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1C[C@H](OC)C[C@H]1c1nnc(C)[nH]1 ZINC000495446249 561488189 /nfs/dbraw/zinc/48/81/89/561488189.db2.gz NHRZEKTZUYKIGC-KSZLIROESA-N 1 2 372.469 2.043 20 30 FEEDLO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1C[C@H](OC)C[C@H]1c1nnc(C)[nH]1 ZINC000495446249 561488190 /nfs/dbraw/zinc/48/81/90/561488190.db2.gz NHRZEKTZUYKIGC-KSZLIROESA-N 1 2 372.469 2.043 20 30 FEEDLO C#CCn1ccc(C[N@@H+](CC)[C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)n1 ZINC000279816534 550932221 /nfs/dbraw/zinc/93/22/21/550932221.db2.gz YCLLGMOTPFVMLS-OAHLLOKOSA-N 1 2 368.437 2.137 20 30 FEEDLO C#CCn1ccc(C[N@H+](CC)[C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)n1 ZINC000279816534 550932222 /nfs/dbraw/zinc/93/22/22/550932222.db2.gz YCLLGMOTPFVMLS-OAHLLOKOSA-N 1 2 368.437 2.137 20 30 FEEDLO C[C@H]1OCC[C@]12C[N@H+](CC(=O)N(CCC#N)c1ccccc1)C[C@@H](C)O2 ZINC000279912262 550942231 /nfs/dbraw/zinc/94/22/31/550942231.db2.gz VSEFOYBOOYRDKM-HLIPFELVSA-N 1 2 357.454 2.202 20 30 FEEDLO C[C@H]1OCC[C@]12C[N@@H+](CC(=O)N(CCC#N)c1ccccc1)C[C@@H](C)O2 ZINC000279912262 550942233 /nfs/dbraw/zinc/94/22/33/550942233.db2.gz VSEFOYBOOYRDKM-HLIPFELVSA-N 1 2 357.454 2.202 20 30 FEEDLO C[C@H]1OCC[C@]12C[N@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)C[C@@H](C)O2 ZINC000279916727 550942572 /nfs/dbraw/zinc/94/25/72/550942572.db2.gz WBGCJHXHFILRCO-VFVRVIDISA-N 1 2 363.845 2.418 20 30 FEEDLO C[C@H]1OCC[C@]12C[N@@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)C[C@@H](C)O2 ZINC000279916727 550942574 /nfs/dbraw/zinc/94/25/74/550942574.db2.gz WBGCJHXHFILRCO-VFVRVIDISA-N 1 2 363.845 2.418 20 30 FEEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000280318383 550979967 /nfs/dbraw/zinc/97/99/67/550979967.db2.gz GXAAVTVSIPRJEN-FHSNZYRGSA-N 1 2 363.845 2.418 20 30 FEEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000280318383 550979969 /nfs/dbraw/zinc/97/99/69/550979969.db2.gz GXAAVTVSIPRJEN-FHSNZYRGSA-N 1 2 363.845 2.418 20 30 FEEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cc3c(cc2OC(F)F)OCO3)C1=O ZINC000281381151 551090425 /nfs/dbraw/zinc/09/04/25/551090425.db2.gz WFWFEUOHAVMHDN-GFCCVEGCSA-N 1 2 354.353 2.235 20 30 FEEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cc3c(cc2OC(F)F)OCO3)C1=O ZINC000281381151 551090427 /nfs/dbraw/zinc/09/04/27/551090427.db2.gz WFWFEUOHAVMHDN-GFCCVEGCSA-N 1 2 354.353 2.235 20 30 FEEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cc3c(cc2OC(F)F)OCO3)C1=O ZINC000281381153 551090517 /nfs/dbraw/zinc/09/05/17/551090517.db2.gz WFWFEUOHAVMHDN-LBPRGKRZSA-N 1 2 354.353 2.235 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cc3c(cc2OC(F)F)OCO3)C1=O ZINC000281381153 551090518 /nfs/dbraw/zinc/09/05/18/551090518.db2.gz WFWFEUOHAVMHDN-LBPRGKRZSA-N 1 2 354.353 2.235 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O ZINC000281419038 551094989 /nfs/dbraw/zinc/09/49/89/551094989.db2.gz RROYPWRTWMJTEY-DOMZBBRYSA-N 1 2 371.397 2.425 20 30 FEEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O ZINC000281419038 551094992 /nfs/dbraw/zinc/09/49/92/551094992.db2.gz RROYPWRTWMJTEY-DOMZBBRYSA-N 1 2 371.397 2.425 20 30 FEEDLO CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1ccnn1C)c1ccc(C#N)cc1[N+](=O)[O-] ZINC000281574729 551115247 /nfs/dbraw/zinc/11/52/47/551115247.db2.gz VWKVOMQXVDWYFU-HOCLYGCPSA-N 1 2 372.404 2.249 20 30 FEEDLO CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1ccnn1C)c1ccc(C#N)cc1[N+](=O)[O-] ZINC000281574729 551115248 /nfs/dbraw/zinc/11/52/48/551115248.db2.gz VWKVOMQXVDWYFU-HOCLYGCPSA-N 1 2 372.404 2.249 20 30 FEEDLO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)[N@@H+]2Cc2cn3ccccc3c2C#N)O1 ZINC000282479489 551234586 /nfs/dbraw/zinc/23/45/86/551234586.db2.gz OOOUDOJZNJPYKY-BPQTVZERSA-N 1 2 353.422 2.494 20 30 FEEDLO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)[N@H+]2Cc2cn3ccccc3c2C#N)O1 ZINC000282479489 551234588 /nfs/dbraw/zinc/23/45/88/551234588.db2.gz OOOUDOJZNJPYKY-BPQTVZERSA-N 1 2 353.422 2.494 20 30 FEEDLO COC(=O)c1ccc(C[NH+]2CCN(c3cccc(F)c3C#N)CC2)nc1 ZINC000285072304 551700396 /nfs/dbraw/zinc/70/03/96/551700396.db2.gz FGEZIFNYNARMKT-UHFFFAOYSA-N 1 2 354.385 2.201 20 30 FEEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000285453613 551759131 /nfs/dbraw/zinc/75/91/31/551759131.db2.gz YRRUINRLZBBPLZ-ACJLOTCBSA-N 1 2 363.845 2.420 20 30 FEEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000285453613 551759132 /nfs/dbraw/zinc/75/91/32/551759132.db2.gz YRRUINRLZBBPLZ-ACJLOTCBSA-N 1 2 363.845 2.420 20 30 FEEDLO C[C@H](C#N)Oc1ccccc1NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000287099036 551963317 /nfs/dbraw/zinc/96/33/17/551963317.db2.gz KRIUIKHXFMZNDJ-BZUAXINKSA-N 1 2 358.442 2.304 20 30 FEEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCCN(c3cc(C)ccc3F)C2=O)C1=O ZINC000500017510 561564158 /nfs/dbraw/zinc/56/41/58/561564158.db2.gz JNBVOXVJIGYLKC-DLBZAZTESA-N 1 2 359.445 2.348 20 30 FEEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H]2CCCN(c3cc(C)ccc3F)C2=O)C1=O ZINC000500017510 561564159 /nfs/dbraw/zinc/56/41/59/561564159.db2.gz JNBVOXVJIGYLKC-DLBZAZTESA-N 1 2 359.445 2.348 20 30 FEEDLO Cn1c2ccc(CNS(=O)(=O)c3cccnc3C#N)cc2[nH+]c1C1CC1 ZINC000289115943 552268527 /nfs/dbraw/zinc/26/85/27/552268527.db2.gz IFCOHBHSVBYBNH-UHFFFAOYSA-N 1 2 367.434 2.196 20 30 FEEDLO N#Cc1cc(Br)ccc1C[NH+]1CCC(c2nc(=O)[nH][nH]2)CC1 ZINC000289346903 552305273 /nfs/dbraw/zinc/30/52/73/552305273.db2.gz FSHVVJXYRKNORV-UHFFFAOYSA-N 1 2 362.231 2.112 20 30 FEEDLO Cc1nsc(N2CC[NH+](CCOCC(F)(F)C(F)F)CC2)c1C#N ZINC000289369262 552308723 /nfs/dbraw/zinc/30/87/23/552308723.db2.gz BCUMINIXUDOQIK-UHFFFAOYSA-N 1 2 366.384 2.362 20 30 FEEDLO C=CCCCN(C)C(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000289513304 552333898 /nfs/dbraw/zinc/33/38/98/552333898.db2.gz CLFSTJMTPKGXIB-SJORKVTESA-N 1 2 365.424 2.251 20 30 FEEDLO C=CCCCN(C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000289513304 552333901 /nfs/dbraw/zinc/33/39/01/552333901.db2.gz CLFSTJMTPKGXIB-SJORKVTESA-N 1 2 365.424 2.251 20 30 FEEDLO N#Cc1cncc(S(=O)(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)c1 ZINC000289642728 552354980 /nfs/dbraw/zinc/35/49/80/552354980.db2.gz DEYHMAWLLMXBDL-UHFFFAOYSA-N 1 2 371.466 2.207 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@H](c3cccc(F)c3)C2)nc1 ZINC000290280894 552453274 /nfs/dbraw/zinc/45/32/74/552453274.db2.gz MFDNVVMVHHNBPI-INIZCTEOSA-N 1 2 359.426 2.356 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@H](c3cccc(F)c3)C2)nc1 ZINC000290280894 552453276 /nfs/dbraw/zinc/45/32/76/552453276.db2.gz MFDNVVMVHHNBPI-INIZCTEOSA-N 1 2 359.426 2.356 20 30 FEEDLO C[C@H](C(=O)NCc1cccs1)[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292042912 552687597 /nfs/dbraw/zinc/68/75/97/552687597.db2.gz ASDYDOLESLKHFE-UKRRQHHQSA-N 1 2 356.451 2.173 20 30 FEEDLO C[C@H](C(=O)NCc1cccs1)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292042912 552687598 /nfs/dbraw/zinc/68/75/98/552687598.db2.gz ASDYDOLESLKHFE-UKRRQHHQSA-N 1 2 356.451 2.173 20 30 FEEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](CC(=O)Nc3ccc(Cl)cn3)C2)nc1 ZINC000292390717 552722424 /nfs/dbraw/zinc/72/24/24/552722424.db2.gz ZSVVLYJDTMKBSP-AWEZNQCLSA-N 1 2 357.801 2.093 20 30 FEEDLO N#Cc1ccc(O[C@H]2CC[N@H+](CC(=O)Nc3ccc(Cl)cn3)C2)nc1 ZINC000292390717 552722426 /nfs/dbraw/zinc/72/24/26/552722426.db2.gz ZSVVLYJDTMKBSP-AWEZNQCLSA-N 1 2 357.801 2.093 20 30 FEEDLO C=CCc1ccc(OC[C@H](O)C[N@H+](C)Cc2nncn2C(C)C)c(OC)c1 ZINC000292533455 552735895 /nfs/dbraw/zinc/73/58/95/552735895.db2.gz XECLFXDZJBAUDK-QGZVFWFLSA-N 1 2 374.485 2.468 20 30 FEEDLO C=CCc1ccc(OC[C@H](O)C[N@@H+](C)Cc2nncn2C(C)C)c(OC)c1 ZINC000292533455 552735896 /nfs/dbraw/zinc/73/58/96/552735896.db2.gz XECLFXDZJBAUDK-QGZVFWFLSA-N 1 2 374.485 2.468 20 30 FEEDLO CC(C)[C@@H]1C[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CCCO1 ZINC000293239815 552802370 /nfs/dbraw/zinc/80/23/70/552802370.db2.gz SRUGVJLWRXCQOF-SFHVURJKSA-N 1 2 367.453 2.429 20 30 FEEDLO CC(C)[C@@H]1C[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CCCO1 ZINC000293239815 552802372 /nfs/dbraw/zinc/80/23/72/552802372.db2.gz SRUGVJLWRXCQOF-SFHVURJKSA-N 1 2 367.453 2.429 20 30 FEEDLO N#Cc1cccc(C[NH+]2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000293352289 552814693 /nfs/dbraw/zinc/81/46/93/552814693.db2.gz ZKANSDQPAWWZRE-UHFFFAOYSA-N 1 2 350.378 2.424 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1ccc(OC(F)F)c(F)c1 ZINC000293367000 552815967 /nfs/dbraw/zinc/81/59/67/552815967.db2.gz IUCQLCVBZPVOFI-UHFFFAOYSA-N 1 2 371.359 2.115 20 30 FEEDLO N#C[C@@H]1CN(C(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)C[C@H]1c1ccccc1 ZINC000293925773 552868580 /nfs/dbraw/zinc/86/85/80/552868580.db2.gz PXGZMECXRCYFBL-AABGKKOBSA-N 1 2 353.466 2.253 20 30 FEEDLO N#C[C@@H]1CN(C(=O)[C@@H]2COCC[N@H+]2CC2CCC2)C[C@H]1c1ccccc1 ZINC000293925773 552868581 /nfs/dbraw/zinc/86/85/81/552868581.db2.gz PXGZMECXRCYFBL-AABGKKOBSA-N 1 2 353.466 2.253 20 30 FEEDLO C=CCc1ccccc1OC[C@H](O)C[NH+]1CCN(CC(F)(F)F)CC1 ZINC000501808198 561605688 /nfs/dbraw/zinc/60/56/88/561605688.db2.gz XPKGKSLHBFPXTO-MRXNPFEDSA-N 1 2 358.404 2.335 20 30 FEEDLO C[C@@H](NC(=O)c1ccc(Br)cc1C#N)[C@@H](C)[NH+]1CCOCC1 ZINC000294585278 552917988 /nfs/dbraw/zinc/91/79/88/552917988.db2.gz MSDFRZFQKDGSBF-VXGBXAGGSA-N 1 2 366.259 2.160 20 30 FEEDLO C[NH+](C)[C@@H](CNS(=O)(=O)Cc1ccc(F)cc1C#N)c1ccco1 ZINC000294594448 552918699 /nfs/dbraw/zinc/91/86/99/552918699.db2.gz ZLNPMEYXCZFEMX-HNNXBMFYSA-N 1 2 351.403 2.013 20 30 FEEDLO CCn1cc[nH+]c1CNC(=O)C1CCN(c2ccc(C#N)cc2F)CC1 ZINC000295735209 553052208 /nfs/dbraw/zinc/05/22/08/553052208.db2.gz RZWBRCNUYAJYLX-UHFFFAOYSA-N 1 2 355.417 2.447 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@H](c3ccncc3)C2)nc1 ZINC000295908972 553074472 /nfs/dbraw/zinc/07/44/72/553074472.db2.gz ITPICTPHXMXAGB-KRWDZBQOSA-N 1 2 356.451 2.002 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@H](c3ccncc3)C2)nc1 ZINC000295908972 553074474 /nfs/dbraw/zinc/07/44/74/553074474.db2.gz ITPICTPHXMXAGB-KRWDZBQOSA-N 1 2 356.451 2.002 20 30 FEEDLO N#Cc1ccc([C@H](C(N)=O)N2CC[NH+](Cc3cccc(F)c3)CC2)cc1 ZINC000502763557 561624874 /nfs/dbraw/zinc/62/48/74/561624874.db2.gz UGVZDDSLIGRJKG-LJQANCHMSA-N 1 2 352.413 2.042 20 30 FEEDLO Cc1cc(C#N)cc(NCc2ccc(C[NH+]3CCS(=O)CC3)cc2)n1 ZINC000601178243 553356710 /nfs/dbraw/zinc/35/67/10/553356710.db2.gz NAPOQQGHJLAZBS-UHFFFAOYSA-N 1 2 354.479 2.438 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[NH+]2CCC(c3ccncn3)CC2)cc1 ZINC000298443502 553425220 /nfs/dbraw/zinc/42/52/20/553425220.db2.gz QTHPCAUSNQJDIQ-UHFFFAOYSA-N 1 2 356.451 2.002 20 30 FEEDLO CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000503623910 561645665 /nfs/dbraw/zinc/64/56/65/561645665.db2.gz BUFYYMQZSHMVHM-KUHUBIRLSA-N 1 2 358.442 2.038 20 30 FEEDLO COC(=O)c1cccc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000298806127 553475359 /nfs/dbraw/zinc/47/53/59/553475359.db2.gz MSYRHNBSSPYGQF-UHFFFAOYSA-N 1 2 363.417 2.303 20 30 FEEDLO N#CCOc1ccccc1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000299108433 553516470 /nfs/dbraw/zinc/51/64/70/553516470.db2.gz YLMSRLPKCSVJGN-GOSISDBHSA-N 1 2 365.433 2.220 20 30 FEEDLO N#CCOc1ccccc1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000299108433 553516471 /nfs/dbraw/zinc/51/64/71/553516471.db2.gz YLMSRLPKCSVJGN-GOSISDBHSA-N 1 2 365.433 2.220 20 30 FEEDLO C[C@@H]([NH2+][C@@H]1CCN(c2sccc2C#N)C1=O)c1nnc2ccccn21 ZINC000299121284 553518036 /nfs/dbraw/zinc/51/80/36/553518036.db2.gz VTZHJWXMTHTDBR-DGCLKSJQSA-N 1 2 352.423 2.119 20 30 FEEDLO Cc1nc(C(F)(F)F)ccc1C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000299490521 553570497 /nfs/dbraw/zinc/57/04/97/553570497.db2.gz CLDLDXNDGAKGLL-UHFFFAOYSA-N 1 2 370.375 2.097 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)CCc1ccc(Cl)s1 ZINC000299553370 553580400 /nfs/dbraw/zinc/58/04/00/553580400.db2.gz SZXXPIHNIHINRL-UHFFFAOYSA-N 1 2 355.891 2.409 20 30 FEEDLO N#Cc1cnc2ccccc2c1N1CC[NH+]([C@@H](C(N)=O)c2ccccc2)CC1 ZINC000301126012 553623938 /nfs/dbraw/zinc/62/39/38/553623938.db2.gz OJEHYTSKUDDURB-OAQYLSRUSA-N 1 2 371.444 2.455 20 30 FEEDLO Cc1[nH+]c2ccccc2n1CCCNc1ccc(S(N)(=O)=O)cc1C#N ZINC000301345014 553644105 /nfs/dbraw/zinc/64/41/05/553644105.db2.gz JXHFQULJKMHEON-UHFFFAOYSA-N 1 2 369.450 2.366 20 30 FEEDLO CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1)C([O-])=[NH+]CCn1cccn1 ZINC000328628619 553799250 /nfs/dbraw/zinc/79/92/50/553799250.db2.gz HKDDYDMLKNMQAW-GJZGRUSLSA-N 1 2 365.478 2.403 20 30 FEEDLO CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1)C([O-])=[NH+]CCn1cccn1 ZINC000328628619 553799251 /nfs/dbraw/zinc/79/92/51/553799251.db2.gz HKDDYDMLKNMQAW-GJZGRUSLSA-N 1 2 365.478 2.403 20 30 FEEDLO CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1)C(=O)NCCn1cccn1 ZINC000328628619 553799253 /nfs/dbraw/zinc/79/92/53/553799253.db2.gz HKDDYDMLKNMQAW-GJZGRUSLSA-N 1 2 365.478 2.403 20 30 FEEDLO CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1)C(=O)NCCn1cccn1 ZINC000328628619 553799255 /nfs/dbraw/zinc/79/92/55/553799255.db2.gz HKDDYDMLKNMQAW-GJZGRUSLSA-N 1 2 365.478 2.403 20 30 FEEDLO CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000505742702 561679130 /nfs/dbraw/zinc/67/91/30/561679130.db2.gz VWVPTOMWCYMGAT-LJQANCHMSA-N 1 2 360.458 2.140 20 30 FEEDLO C[C@H](C(=O)N1CCCCC1)[N@@H+]1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000328700758 553809114 /nfs/dbraw/zinc/80/91/14/553809114.db2.gz WHOUCRSKIILYEP-QEEYODRMSA-N 1 2 352.438 2.382 20 30 FEEDLO C[C@H](C(=O)N1CCCCC1)[N@H+]1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000328700758 553809115 /nfs/dbraw/zinc/80/91/15/553809115.db2.gz WHOUCRSKIILYEP-QEEYODRMSA-N 1 2 352.438 2.382 20 30 FEEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CCN(CC(F)(F)F)CC1)CCC2 ZINC000328724002 553812578 /nfs/dbraw/zinc/81/25/78/553812578.db2.gz SONLBFKHPASTCI-ZDUSSCGKSA-N 1 2 359.396 2.163 20 30 FEEDLO O=C(C[C@H]1CCS(=O)(=O)C1)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000328815704 553826621 /nfs/dbraw/zinc/82/66/21/553826621.db2.gz GKCKXKWQTXKSOO-SJORKVTESA-N 1 2 350.484 2.432 20 30 FEEDLO O=C(C[C@H]1CCS(=O)(=O)C1)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000328815704 553826624 /nfs/dbraw/zinc/82/66/24/553826624.db2.gz GKCKXKWQTXKSOO-SJORKVTESA-N 1 2 350.484 2.432 20 30 FEEDLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)CC1 ZINC000328841790 553831221 /nfs/dbraw/zinc/83/12/21/553831221.db2.gz OYCSSFYBWLJEED-RRFJBIMHSA-N 1 2 364.490 2.180 20 30 FEEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)NC[C@@H]3CCC4(CCCCC4)O3)C[C@H]21 ZINC000328867893 553835704 /nfs/dbraw/zinc/83/57/04/553835704.db2.gz HCFQFQIDLBCUAF-GVDBMIGSSA-N 1 2 351.491 2.187 20 30 FEEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)NC[C@@H]3CCC4(CCCCC4)O3)C[C@H]21 ZINC000328867893 553835706 /nfs/dbraw/zinc/83/57/06/553835706.db2.gz HCFQFQIDLBCUAF-GVDBMIGSSA-N 1 2 351.491 2.187 20 30 FEEDLO C[N@@H+]1CCN(S(=O)(=O)c2ccc(C#N)cc2)C[C@@H]1Cc1ccccc1 ZINC000328885624 553838716 /nfs/dbraw/zinc/83/87/16/553838716.db2.gz OKUXBFPKFITCEI-SFHVURJKSA-N 1 2 355.463 2.106 20 30 FEEDLO C[N@H+]1CCN(S(=O)(=O)c2ccc(C#N)cc2)C[C@@H]1Cc1ccccc1 ZINC000328885624 553838717 /nfs/dbraw/zinc/83/87/17/553838717.db2.gz OKUXBFPKFITCEI-SFHVURJKSA-N 1 2 355.463 2.106 20 30 FEEDLO CN(C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1)[C@@H]1CCNC1=O ZINC000328985790 553859327 /nfs/dbraw/zinc/85/93/27/553859327.db2.gz ZTUVQCRNXRYMPA-ZNMIVQPWSA-N 1 2 352.385 2.285 20 30 FEEDLO CN(C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1)[C@@H]1CCNC1=O ZINC000328985790 553859329 /nfs/dbraw/zinc/85/93/29/553859329.db2.gz ZTUVQCRNXRYMPA-ZNMIVQPWSA-N 1 2 352.385 2.285 20 30 FEEDLO CN1C(=O)N[C@@H]2C[N@@H+](CC(=O)NCCc3ccc(Cl)cc3)CC[C@@H]21 ZINC000329002533 553862203 /nfs/dbraw/zinc/86/22/03/553862203.db2.gz HDVDVFVEVQFNDW-CABCVRRESA-N 1 2 350.850 2.141 20 30 FEEDLO CN1C(=O)N[C@@H]2C[N@H+](CC(=O)NCCc3ccc(Cl)cc3)CC[C@@H]21 ZINC000329002533 553862204 /nfs/dbraw/zinc/86/22/04/553862204.db2.gz HDVDVFVEVQFNDW-CABCVRRESA-N 1 2 350.850 2.141 20 30 FEEDLO C[C@@H]1C[C@H](C)[C@@H](C(=O)N[C@@H]2CCC(=O)N(C3CC3)[C@H]2c2c[nH+]cn2C)O1 ZINC000329042197 553870253 /nfs/dbraw/zinc/87/02/53/553870253.db2.gz TUXZCGPQTPVLSZ-GVHAPUKASA-N 1 2 360.458 2.385 20 30 FEEDLO C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000329068821 553874744 /nfs/dbraw/zinc/87/47/44/553874744.db2.gz MPCHLBRWHFMMTG-KDOFPFPSSA-N 1 2 353.463 2.460 20 30 FEEDLO C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000329068821 553874747 /nfs/dbraw/zinc/87/47/47/553874747.db2.gz MPCHLBRWHFMMTG-KDOFPFPSSA-N 1 2 353.463 2.460 20 30 FEEDLO Cc1[nH]c(=O)c(Br)cc1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000329074717 553875508 /nfs/dbraw/zinc/87/55/08/553875508.db2.gz ACGVSUNIJGFMOC-SECBINFHSA-N 1 2 351.204 2.374 20 30 FEEDLO C[C@H]([C@H](C)NC(=O)[C@@H]1CSCN1C(=O)CC(C)(C)C)[NH+]1CCOCC1 ZINC000329131895 553886328 /nfs/dbraw/zinc/88/63/28/553886328.db2.gz AKVFDCJWAQJZNA-ZNMIVQPWSA-N 1 2 371.547 2.390 20 30 FEEDLO N#Cc1ccc(N2CCC(C(=O)N3CCn4cc[nH+]c4C3)CC2)c(F)c1 ZINC000329168394 553893869 /nfs/dbraw/zinc/89/38/69/553893869.db2.gz IZSKWNJBBUIVEZ-UHFFFAOYSA-N 1 2 353.401 2.153 20 30 FEEDLO COc1ccccc1C1(CNC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)CCC1 ZINC000329172852 553895047 /nfs/dbraw/zinc/89/50/47/553895047.db2.gz KOYFPVOEPPICKF-HKUYNNGSSA-N 1 2 373.497 2.436 20 30 FEEDLO COc1ccccc1C1(CNC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)CCC1 ZINC000329172852 553895049 /nfs/dbraw/zinc/89/50/49/553895049.db2.gz KOYFPVOEPPICKF-HKUYNNGSSA-N 1 2 373.497 2.436 20 30 FEEDLO CC(C)Cn1ncc(NC(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)c1C1CC1 ZINC000329284323 553917999 /nfs/dbraw/zinc/91/79/99/553917999.db2.gz NVNCSOMMFXYSOX-IAGOWNOFSA-N 1 2 361.490 2.367 20 30 FEEDLO CC(C)Cn1ncc(NC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)c1C1CC1 ZINC000329284323 553918002 /nfs/dbraw/zinc/91/80/02/553918002.db2.gz NVNCSOMMFXYSOX-IAGOWNOFSA-N 1 2 361.490 2.367 20 30 FEEDLO CC(C)[C@@H]1C[C@H](CC(=O)N2CC[NH+]([C@H](C)C(=O)NC3CC3)CC2)CCO1 ZINC000329296928 553919559 /nfs/dbraw/zinc/91/95/59/553919559.db2.gz KSQKJUYANJWJSZ-NUJGCVRESA-N 1 2 365.518 2.479 20 30 FEEDLO Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNC(=O)[C@@H]1CC[C@H](C(N)=O)O1 ZINC000329339999 553928078 /nfs/dbraw/zinc/92/80/78/553928078.db2.gz OBYMDRDFBRUXDB-VIRABCJISA-N 1 2 368.409 2.243 20 30 FEEDLO Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNC(=O)[C@@H]1CC[C@H](C(N)=O)O1 ZINC000329339999 553928082 /nfs/dbraw/zinc/92/80/82/553928082.db2.gz OBYMDRDFBRUXDB-VIRABCJISA-N 1 2 368.409 2.243 20 30 FEEDLO Cn1cc[nH+]c1[C@H](NC(=O)N1CCC[C@](C)(O)CC1)C1CCOCC1 ZINC000329341713 553928768 /nfs/dbraw/zinc/92/87/68/553928768.db2.gz PCBYENAPNMEJRQ-QAPCUYQASA-N 1 2 350.463 2.039 20 30 FEEDLO Cc1ccc(NC(=O)NC(=O)[C@@H](C)[N@H+]2CCN3CCOC[C@@H]3C2)c(C)c1 ZINC000329400382 553939462 /nfs/dbraw/zinc/93/94/62/553939462.db2.gz BBYKLXGZYGEJIZ-CVEARBPZSA-N 1 2 360.458 2.210 20 30 FEEDLO Cc1ccc(NC(=O)NC(=O)[C@@H](C)[N@@H+]2CCN3CCOC[C@@H]3C2)c(C)c1 ZINC000329400382 553939459 /nfs/dbraw/zinc/93/94/59/553939459.db2.gz BBYKLXGZYGEJIZ-CVEARBPZSA-N 1 2 360.458 2.210 20 30 FEEDLO O=C(N[C@@H]1CCN(Cc2ccccc2)C1=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000329410827 553940997 /nfs/dbraw/zinc/94/09/97/553940997.db2.gz DBTVKTRSIQZTFM-RTBURBONSA-N 1 2 371.481 2.387 20 30 FEEDLO O=C(N[C@@H]1CCN(Cc2ccccc2)C1=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000329410827 553941002 /nfs/dbraw/zinc/94/10/02/553941002.db2.gz DBTVKTRSIQZTFM-RTBURBONSA-N 1 2 371.481 2.387 20 30 FEEDLO Cc1nc2c(c(=O)[nH]n2C)c(C)c1CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000329429566 553944893 /nfs/dbraw/zinc/94/48/93/553944893.db2.gz HXKJVZCDAGEUSL-LBPRGKRZSA-N 1 2 354.414 2.206 20 30 FEEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)N[C@@H]1CCCC12CCOCC2 ZINC000329432773 553946073 /nfs/dbraw/zinc/94/60/73/553946073.db2.gz IEUYFAFWRYZWKU-IXDOHACOSA-N 1 2 351.491 2.045 20 30 FEEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)Nc3nc4c(s3)CCCC4(C)C)C[C@@H]21 ZINC000329510271 553959904 /nfs/dbraw/zinc/95/99/04/553959904.db2.gz JYVUPGNIUMRKGR-NWDGAFQWSA-N 1 2 350.488 2.317 20 30 FEEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)Nc3nc4c(s3)CCCC4(C)C)C[C@@H]21 ZINC000329510271 553959906 /nfs/dbraw/zinc/95/99/06/553959906.db2.gz JYVUPGNIUMRKGR-NWDGAFQWSA-N 1 2 350.488 2.317 20 30 FEEDLO O=C(NC1CC1)[C@H](O)C1CCN(c2cc(N3CCCCC3)[nH+]cn2)CC1 ZINC000329647296 553981878 /nfs/dbraw/zinc/98/18/78/553981878.db2.gz DVVQFKPZJXEYQT-GOSISDBHSA-N 1 2 359.474 2.163 20 30 FEEDLO O=C(NC1CC1)[C@H](O)C1CCN(c2cc(N3CCCCC3)nc[nH+]2)CC1 ZINC000329647296 553981880 /nfs/dbraw/zinc/98/18/80/553981880.db2.gz DVVQFKPZJXEYQT-GOSISDBHSA-N 1 2 359.474 2.163 20 30 FEEDLO C[C@H](C(=O)NCCc1c[nH]c2ccccc12)[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000329664561 553984395 /nfs/dbraw/zinc/98/43/95/553984395.db2.gz JXUFVKAUAYAAND-NVXWUHKLSA-N 1 2 356.470 2.072 20 30 FEEDLO C[C@H](C(=O)NCCc1c[nH]c2ccccc12)[N@H+]1CCN2CCOC[C@H]2C1 ZINC000329664561 553984397 /nfs/dbraw/zinc/98/43/97/553984397.db2.gz JXUFVKAUAYAAND-NVXWUHKLSA-N 1 2 356.470 2.072 20 30 FEEDLO O=C(C[NH+]1CCC(c2n[nH]c(=O)[nH]2)CC1)N[C@H]1CCOc2ccccc21 ZINC000329661917 553984712 /nfs/dbraw/zinc/98/47/12/553984712.db2.gz PEYQVPUQKKAPRT-AWEZNQCLSA-N 1 2 357.414 2.170 20 30 FEEDLO C[C@@H](C(=O)NC1(c2ncon2)CCOCC1)[N@@H+]1CCc2ccccc2C1 ZINC000329723330 553995365 /nfs/dbraw/zinc/99/53/65/553995365.db2.gz CTDFBGUEEFUHEQ-AWEZNQCLSA-N 1 2 356.426 2.479 20 30 FEEDLO C[C@@H](C(=O)NC1(c2ncon2)CCOCC1)[N@H+]1CCc2ccccc2C1 ZINC000329723330 553995370 /nfs/dbraw/zinc/99/53/70/553995370.db2.gz CTDFBGUEEFUHEQ-AWEZNQCLSA-N 1 2 356.426 2.479 20 30 FEEDLO [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CCCN2c3ccccc3C[C@@H]2C1 ZINC000329741603 553998346 /nfs/dbraw/zinc/99/83/46/553998346.db2.gz WAIVXOMZBJPEPF-HZPDHXFCSA-N 1 2 351.454 2.318 20 30 FEEDLO [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1CCCN2c3ccccc3C[C@@H]2C1 ZINC000329741603 553998347 /nfs/dbraw/zinc/99/83/47/553998347.db2.gz WAIVXOMZBJPEPF-HZPDHXFCSA-N 1 2 351.454 2.318 20 30 FEEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000329834543 554015137 /nfs/dbraw/zinc/01/51/37/554015137.db2.gz LTCQACMXFJWXOU-LJQANCHMSA-N 1 2 373.457 2.215 20 30 FEEDLO Cc1nsc(N2CC[NH+](CC(=O)N([C@@H](C)C3CC3)C3CC3)CC2)c1C#N ZINC000329845229 554017490 /nfs/dbraw/zinc/01/74/90/554017490.db2.gz ONICUSFLECAJRK-AWEZNQCLSA-N 1 2 373.526 2.235 20 30 FEEDLO CNC(=O)N[C@@H]1CC[N@H+](Cc2nnc(-c3cc4c(s3)CCCC4)o2)C1 ZINC000329856159 554019481 /nfs/dbraw/zinc/01/94/81/554019481.db2.gz XXYMSOCJGLBUPL-GFCCVEGCSA-N 1 2 361.471 2.385 20 30 FEEDLO CNC(=O)N[C@@H]1CC[N@@H+](Cc2nnc(-c3cc4c(s3)CCCC4)o2)C1 ZINC000329856159 554019482 /nfs/dbraw/zinc/01/94/82/554019482.db2.gz XXYMSOCJGLBUPL-GFCCVEGCSA-N 1 2 361.471 2.385 20 30 FEEDLO C[C@H](Cc1c(F)cccc1F)NC(=O)C[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000329878479 554023522 /nfs/dbraw/zinc/02/35/22/554023522.db2.gz KVFKCDMEHJTTQV-FZKQIMNGSA-N 1 2 354.397 2.344 20 30 FEEDLO C[C@H](Cc1c(F)cccc1F)NC(=O)C[N@H+]1CCO[C@]2(CCOC2)C1 ZINC000329878479 554023524 /nfs/dbraw/zinc/02/35/24/554023524.db2.gz KVFKCDMEHJTTQV-FZKQIMNGSA-N 1 2 354.397 2.344 20 30 FEEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CCC2 ZINC000507286605 561723730 /nfs/dbraw/zinc/72/37/30/561723730.db2.gz XNASSETVXKBEPB-KUHUBIRLSA-N 1 2 360.458 2.447 20 30 FEEDLO CCO[C@@H]1C[C@H](NC(=O)N2CC[C@H](c3[nH+]ccn3C)C2)C12CCOCC2 ZINC000329894521 554026578 /nfs/dbraw/zinc/02/65/78/554026578.db2.gz BIKHJKXBOJLRAO-HRCADAONSA-N 1 2 362.474 2.098 20 30 FEEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)Nc3cc4c(cc3Cl)OCCCO4)C[C@@H]21 ZINC000329913667 554030383 /nfs/dbraw/zinc/03/03/83/554030383.db2.gz BZAJKAPXHOLBHB-XJKSGUPXSA-N 1 2 367.833 2.062 20 30 FEEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)Nc3cc4c(cc3Cl)OCCCO4)C[C@@H]21 ZINC000329913667 554030385 /nfs/dbraw/zinc/03/03/85/554030385.db2.gz BZAJKAPXHOLBHB-XJKSGUPXSA-N 1 2 367.833 2.062 20 30 FEEDLO CC(C)n1ncc2c1C[C@H](NC(=O)NC[C@H]1CCc3[nH+]ccn3C1)CC2 ZINC000329922778 554032104 /nfs/dbraw/zinc/03/21/04/554032104.db2.gz UDHPMFJPUUICAB-GDBMZVCRSA-N 1 2 356.474 2.284 20 30 FEEDLO CC(C)n1ncc2c1C[C@H]([NH+]=C([O-])NC[C@H]1CCc3[nH+]ccn3C1)CC2 ZINC000329922778 554032106 /nfs/dbraw/zinc/03/21/06/554032106.db2.gz UDHPMFJPUUICAB-GDBMZVCRSA-N 1 2 356.474 2.284 20 30 FEEDLO CC(C)n1ncc2c1C[C@H](NC([O-])=[NH+]C[C@H]1CCc3[nH+]ccn3C1)CC2 ZINC000329922778 554032108 /nfs/dbraw/zinc/03/21/08/554032108.db2.gz UDHPMFJPUUICAB-GDBMZVCRSA-N 1 2 356.474 2.284 20 30 FEEDLO Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1CNC(=O)NC[C@]1(C)CCCS1 ZINC000329921834 554032164 /nfs/dbraw/zinc/03/21/64/554032164.db2.gz FYJWTBICRVAPGN-ZQIUZPCESA-N 1 2 369.510 2.122 20 30 FEEDLO CC(C)C[C@@H]1OCCC[C@@H]1NC(=O)N1CCN(C)[C@H](c2[nH+]ccn2C)C1 ZINC000329944161 554036757 /nfs/dbraw/zinc/03/67/57/554036757.db2.gz DZSZRMFNBDDNSR-ULQDDVLXSA-N 1 2 363.506 2.216 20 30 FEEDLO CCCN1CCCN(C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)CC1=O ZINC000329966373 554040092 /nfs/dbraw/zinc/04/00/92/554040092.db2.gz VNEFCSVMLKSJTE-UHFFFAOYSA-N 1 2 363.849 2.346 20 30 FEEDLO CCN1CCN(C(=O)Nc2ccc3c(c2)OCCO3)C[C@H]1c1[nH]cc[nH+]1 ZINC000330059579 554057246 /nfs/dbraw/zinc/05/72/46/554057246.db2.gz LEMYNEJUBXSJLH-AWEZNQCLSA-N 1 2 357.414 2.105 20 30 FEEDLO O=C(C[N@@H+]1CCO[C@@H](C2CC2)C1)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000330112535 554066879 /nfs/dbraw/zinc/06/68/79/554066879.db2.gz CCAYJECGRNAONU-LJQANCHMSA-N 1 2 371.481 2.093 20 30 FEEDLO O=C(C[N@H+]1CCO[C@@H](C2CC2)C1)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000330112535 554066881 /nfs/dbraw/zinc/06/68/81/554066881.db2.gz CCAYJECGRNAONU-LJQANCHMSA-N 1 2 371.481 2.093 20 30 FEEDLO CC(C)(C)n1cc(C(=O)Nc2ccc3[nH]c(N4CCOCC4)[nH+]c3c2)nn1 ZINC000330143828 554072956 /nfs/dbraw/zinc/07/29/56/554072956.db2.gz ZDQJLDXQWFYYHG-UHFFFAOYSA-N 1 2 369.429 2.382 20 30 FEEDLO CC(=O)N1CC[C@H](C(=O)N[C@H](C[NH+]2CCOCC2)c2ccc(C)cc2)C1 ZINC000330186400 554080464 /nfs/dbraw/zinc/08/04/64/554080464.db2.gz SAESOZDBUIEAOO-RBUKOAKNSA-N 1 2 359.470 2.193 20 30 FEEDLO O=C(NCc1cn2c([nH+]1)CCCC2)N[C@@H]1CCO[C@]2(CCSC2)C1 ZINC000330222330 554088116 /nfs/dbraw/zinc/08/81/16/554088116.db2.gz RSSRDDYUBGBWDS-CXAGYDPISA-N 1 2 350.488 2.278 20 30 FEEDLO Cn1c[nH+]cc1[C@@H]1C[C@@H](N/C([O-])=[NH+]/Cc2cn3ccsc3n2)CCO1 ZINC000330283199 554098787 /nfs/dbraw/zinc/09/87/87/554098787.db2.gz BDQAWIXEYXFEMV-FZMZJTMJSA-N 1 2 360.443 2.053 20 30 FEEDLO CCN1CCN(C(=O)Nc2cc3c(cc2C)OCO3)C[C@@H]1c1[nH]cc[nH+]1 ZINC000330323055 554105115 /nfs/dbraw/zinc/10/51/15/554105115.db2.gz HIGTUMZMMDFNOB-CQSZACIVSA-N 1 2 357.414 2.371 20 30 FEEDLO Cc1noc([C@H]2C[C@H](O)CN2C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)n1 ZINC000330361297 554111352 /nfs/dbraw/zinc/11/13/52/554111352.db2.gz YDCSBZUYYZPSIH-LSDHHAIUSA-N 1 2 368.397 2.132 20 30 FEEDLO Cc1ccc(NC(=O)N(C)C)cc1NC(=O)[C@@H](C)[NH+]1CCSCC1 ZINC000331224134 554232803 /nfs/dbraw/zinc/23/28/03/554232803.db2.gz CWHAKWLBSSWCON-CYBMUJFWSA-N 1 2 350.488 2.478 20 30 FEEDLO CC[C@](C)(C#N)C(=O)Nc1ccc2nc(CC[NH+]3CCOCC3)[nH]c2c1 ZINC000509095398 561784772 /nfs/dbraw/zinc/78/47/72/561784772.db2.gz FCSYSMVNVSNTAP-LJQANCHMSA-N 1 2 355.442 2.316 20 30 FEEDLO N#CC1(CS(=O)(=O)NC2CCN(c3cccc[nH+]3)CC2)CCCCC1 ZINC000332081335 554375795 /nfs/dbraw/zinc/37/57/95/554375795.db2.gz LUGIDCXJSMYNDF-UHFFFAOYSA-N 1 2 362.499 2.444 20 30 FEEDLO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000332543500 554468246 /nfs/dbraw/zinc/46/82/46/554468246.db2.gz LWBCADVLKFUHFI-SWLSCSKDSA-N 1 2 353.875 2.459 20 30 FEEDLO C[C@H]1C[N@H+]2CCCC[C@@H]2CN1S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000332543500 554468248 /nfs/dbraw/zinc/46/82/48/554468248.db2.gz LWBCADVLKFUHFI-SWLSCSKDSA-N 1 2 353.875 2.459 20 30 FEEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000510248440 561829753 /nfs/dbraw/zinc/82/97/53/561829753.db2.gz DZKCBEHINHQBKZ-CYBMUJFWSA-N 1 2 372.860 2.080 20 30 FEEDLO CCOc1ccc(C[NH+]2CCN(C(=O)Nc3nn(C)cc3C#N)CC2)cc1 ZINC000610561354 554528776 /nfs/dbraw/zinc/52/87/76/554528776.db2.gz TVXVNJVSHGANNF-UHFFFAOYSA-N 1 2 368.441 2.040 20 30 FEEDLO C=CCNC(=O)CN(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000510889791 561849759 /nfs/dbraw/zinc/84/97/59/561849759.db2.gz ZKFQBEWSFQSCTE-UHFFFAOYSA-N 1 2 367.247 2.043 20 30 FEEDLO CC1(C)C[S@](=O)CC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000334039900 554671230 /nfs/dbraw/zinc/67/12/30/554671230.db2.gz OAVCGVHGHAJKIV-XMMPIXPASA-N 1 2 365.524 2.280 20 30 FEEDLO CC1(C)C[S@](=O)CC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000334039900 554671232 /nfs/dbraw/zinc/67/12/32/554671232.db2.gz OAVCGVHGHAJKIV-XMMPIXPASA-N 1 2 365.524 2.280 20 30 FEEDLO Cc1cn2c([nH+]1)CN(C(=O)Nc1ccn(-c3cccc(F)c3C#N)n1)CC2 ZINC000611823686 554685882 /nfs/dbraw/zinc/68/58/82/554685882.db2.gz QCFXOVAWSORRFI-UHFFFAOYSA-N 1 2 365.372 2.436 20 30 FEEDLO C=CCN1C(=O)N([C@H]2CCc3[nH+]c[nH]c3C2)C(=O)[C@@H]1Cc1ccccc1 ZINC000348987528 554708092 /nfs/dbraw/zinc/70/80/92/554708092.db2.gz PIXFJXLHDWMSEG-YJBOKZPZSA-N 1 2 350.422 2.329 20 30 FEEDLO C=CCN1C(=O)N([C@H]2CCc3[nH]c[nH+]c3C2)C(=O)[C@@H]1Cc1ccccc1 ZINC000348987528 554708093 /nfs/dbraw/zinc/70/80/93/554708093.db2.gz PIXFJXLHDWMSEG-YJBOKZPZSA-N 1 2 350.422 2.329 20 30 FEEDLO CN(C)S(=O)(=O)[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000511058877 561855246 /nfs/dbraw/zinc/85/52/46/561855246.db2.gz IQEDKMKKIQRZFN-CQSZACIVSA-N 1 2 373.425 2.015 20 30 FEEDLO CN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000511058877 561855248 /nfs/dbraw/zinc/85/52/48/561855248.db2.gz IQEDKMKKIQRZFN-CQSZACIVSA-N 1 2 373.425 2.015 20 30 FEEDLO CC[N@@H+]1CCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)[C@@H](C)C1 ZINC000511279839 561863740 /nfs/dbraw/zinc/86/37/40/561863740.db2.gz KEWVICMGEGUOSA-NSHDSACASA-N 1 2 372.288 2.035 20 30 FEEDLO CC[N@H+]1CCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)[C@@H](C)C1 ZINC000511279839 561863742 /nfs/dbraw/zinc/86/37/42/561863742.db2.gz KEWVICMGEGUOSA-NSHDSACASA-N 1 2 372.288 2.035 20 30 FEEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCN(c2ccc(F)cn2)CC1 ZINC000362237938 554957872 /nfs/dbraw/zinc/95/78/72/554957872.db2.gz PNMRJEVEMSZWMR-HNNXBMFYSA-N 1 2 359.449 2.074 20 30 FEEDLO Cc1[nH+]c2ccccn2c1[C@H]1C(=O)NCCN1Cc1ccc(C#N)s1 ZINC000362377109 554967765 /nfs/dbraw/zinc/96/77/65/554967765.db2.gz VVSRXYRAJQKYDW-KRWDZBQOSA-N 1 2 351.435 2.249 20 30 FEEDLO C=CCOc1cccc(NC(=O)N2CC[NH+]([C@H]3CCCCNC3=O)CC2)c1 ZINC000363609806 555146710 /nfs/dbraw/zinc/14/67/10/555146710.db2.gz ANJYOQBIJNTTTD-SFHVURJKSA-N 1 2 372.469 2.070 20 30 FEEDLO COC(=O)c1cn([C@H]2CCC[N@H+](Cc3ccc(Cl)cc3C#N)C2)nn1 ZINC000363712053 555169723 /nfs/dbraw/zinc/16/97/23/555169723.db2.gz IVVZRWKISXMOGS-HNNXBMFYSA-N 1 2 359.817 2.427 20 30 FEEDLO COC(=O)c1cn([C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3C#N)C2)nn1 ZINC000363712053 555169725 /nfs/dbraw/zinc/16/97/25/555169725.db2.gz IVVZRWKISXMOGS-HNNXBMFYSA-N 1 2 359.817 2.427 20 30 FEEDLO C=C(C)C[N@H+](CC(=O)N1CCO[C@H]2CCCC[C@@H]21)Cc1ccc(CO)o1 ZINC000512203001 561895807 /nfs/dbraw/zinc/89/58/07/561895807.db2.gz LWOOPTFQXZUFMZ-OALUTQOASA-N 1 2 362.470 2.320 20 30 FEEDLO C=C(C)C[N@@H+](CC(=O)N1CCO[C@H]2CCCC[C@@H]21)Cc1ccc(CO)o1 ZINC000512203001 561895809 /nfs/dbraw/zinc/89/58/09/561895809.db2.gz LWOOPTFQXZUFMZ-OALUTQOASA-N 1 2 362.470 2.320 20 30 FEEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC[C@H](NC(=O)C2CCC2)C1 ZINC000364188521 555265721 /nfs/dbraw/zinc/26/57/21/555265721.db2.gz FOYZCLZMSLAOLT-HNNXBMFYSA-N 1 2 360.845 2.141 20 30 FEEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CC[C@H](NC(=O)C2CCC2)C1 ZINC000364188521 555265723 /nfs/dbraw/zinc/26/57/23/555265723.db2.gz FOYZCLZMSLAOLT-HNNXBMFYSA-N 1 2 360.845 2.141 20 30 FEEDLO Cc1nc(C[N@@H+](C)[C@H]2CCCN(C(=O)c3ccc(C#N)c(C)n3)CC2)no1 ZINC000364702506 555378768 /nfs/dbraw/zinc/37/87/68/555378768.db2.gz YTCSLTFJFPHBPT-INIZCTEOSA-N 1 2 368.441 2.080 20 30 FEEDLO Cc1nc(C[N@H+](C)[C@H]2CCCN(C(=O)c3ccc(C#N)c(C)n3)CC2)no1 ZINC000364702506 555378770 /nfs/dbraw/zinc/37/87/70/555378770.db2.gz YTCSLTFJFPHBPT-INIZCTEOSA-N 1 2 368.441 2.080 20 30 FEEDLO CNS(=O)(=O)c1cc(NCc2c[nH+]c3ccc(C#N)cn23)ccc1C ZINC000512643316 561910895 /nfs/dbraw/zinc/91/08/95/561910895.db2.gz BVBFNIANDCASNE-UHFFFAOYSA-N 1 2 355.423 2.035 20 30 FEEDLO COC(=O)[C@@H]1C[N@H+](CC(=O)Nc2ccccc2SCC#N)CC1(C)C ZINC000364763610 555396007 /nfs/dbraw/zinc/39/60/07/555396007.db2.gz GFBAWQMIACYBCG-ZDUSSCGKSA-N 1 2 361.467 2.372 20 30 FEEDLO COC(=O)[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2SCC#N)CC1(C)C ZINC000364763610 555396010 /nfs/dbraw/zinc/39/60/10/555396010.db2.gz GFBAWQMIACYBCG-ZDUSSCGKSA-N 1 2 361.467 2.372 20 30 FEEDLO CCn1cc(C[N@@H+]2CCCN(C(=O)c3cccc(C#N)c3C)CC2)cn1 ZINC000512685959 561912275 /nfs/dbraw/zinc/91/22/75/561912275.db2.gz QPJGUONVJFPVIH-UHFFFAOYSA-N 1 2 351.454 2.431 20 30 FEEDLO CCn1cc(C[N@H+]2CCCN(C(=O)c3cccc(C#N)c3C)CC2)cn1 ZINC000512685959 561912276 /nfs/dbraw/zinc/91/22/76/561912276.db2.gz QPJGUONVJFPVIH-UHFFFAOYSA-N 1 2 351.454 2.431 20 30 FEEDLO CC[N@H+](CC(=O)N1CCCCCC1)[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000513182552 561928360 /nfs/dbraw/zinc/92/83/60/561928360.db2.gz HCIGKZPQWFJXGG-LPHOPBHVSA-N 1 2 350.507 2.154 20 30 FEEDLO CC[N@@H+](CC(=O)N1CCCCCC1)[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000513182552 561928361 /nfs/dbraw/zinc/92/83/61/561928361.db2.gz HCIGKZPQWFJXGG-LPHOPBHVSA-N 1 2 350.507 2.154 20 30 FEEDLO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000365487740 555589085 /nfs/dbraw/zinc/58/90/85/555589085.db2.gz SPVHDDRNZVMRNG-MOPGFXCFSA-N 1 2 368.481 2.333 20 30 FEEDLO Cc1c(C#N)cccc1C(=O)N(C)C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1 ZINC000513824477 561951726 /nfs/dbraw/zinc/95/17/26/561951726.db2.gz LSHHHOKZOWZEBW-ROUUACIJSA-N 1 2 369.444 2.285 20 30 FEEDLO Cc1c(C#N)cccc1C(=O)N(C)C[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1 ZINC000513824477 561951728 /nfs/dbraw/zinc/95/17/28/561951728.db2.gz LSHHHOKZOWZEBW-ROUUACIJSA-N 1 2 369.444 2.285 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N2CCC[C@H]2c2cccc(OC)c2)C1=O ZINC000366910399 555965907 /nfs/dbraw/zinc/96/59/07/555965907.db2.gz HUDFDALKKIMFSG-OALUTQOASA-N 1 2 371.481 2.077 20 30 FEEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N2CCC[C@H]2c2cccc(OC)c2)C1=O ZINC000366910399 555965909 /nfs/dbraw/zinc/96/59/09/555965909.db2.gz HUDFDALKKIMFSG-OALUTQOASA-N 1 2 371.481 2.077 20 30 FEEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)CSCc1ccc(C#N)cc1 ZINC000367635087 556101752 /nfs/dbraw/zinc/10/17/52/556101752.db2.gz NJZSYDSYRCJSJP-QAPCUYQASA-N 1 2 359.495 2.113 20 30 FEEDLO Cc1cn2c([nH+]1)CC[C@H](NC(=O)[C@@H]1CCN(c3ccc(C#N)cc3F)C1)C2 ZINC000367721005 556122838 /nfs/dbraw/zinc/12/28/38/556122838.db2.gz NCEDXFIWYUAIEP-CVEARBPZSA-N 1 2 367.428 2.160 20 30 FEEDLO C#CC[C@H](Cc1ccccc1)NC(=O)N1CCN(CC)[C@H](c2[nH]cc[nH+]2)C1 ZINC000367866190 556159499 /nfs/dbraw/zinc/15/94/99/556159499.db2.gz SIGYEQVXSGQTGB-MOPGFXCFSA-N 1 2 365.481 2.433 20 30 FEEDLO C=C(Cl)CNC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000367948314 556180026 /nfs/dbraw/zinc/18/00/26/556180026.db2.gz RUQIANXFIKIBPK-CQSZACIVSA-N 1 2 372.897 2.076 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC=C(c3ccc(O)cc3)CC2)nc1 ZINC000368010855 556194308 /nfs/dbraw/zinc/19/43/08/556194308.db2.gz UQWODUWHNMGRBF-UHFFFAOYSA-N 1 2 369.446 2.222 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC=C(c3ccc(O)cc3)CC2)nc1 ZINC000368010855 556194309 /nfs/dbraw/zinc/19/43/09/556194309.db2.gz UQWODUWHNMGRBF-UHFFFAOYSA-N 1 2 369.446 2.222 20 30 FEEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc3cccc(C)c3s2)CC1 ZINC000368594197 556356759 /nfs/dbraw/zinc/35/67/59/556356759.db2.gz ROIWZCXSWNICTC-UHFFFAOYSA-N 1 2 369.490 2.107 20 30 FEEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc3cccc(C)c3s2)CC1 ZINC000368594197 556356762 /nfs/dbraw/zinc/35/67/62/556356762.db2.gz ROIWZCXSWNICTC-UHFFFAOYSA-N 1 2 369.490 2.107 20 30 FEEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000368974719 556464524 /nfs/dbraw/zinc/46/45/24/556464524.db2.gz OLZNGXFICHZVLD-SUNYJGFJSA-N 1 2 359.495 2.489 20 30 FEEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000368974719 556464529 /nfs/dbraw/zinc/46/45/29/556464529.db2.gz OLZNGXFICHZVLD-SUNYJGFJSA-N 1 2 359.495 2.489 20 30 FEEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369015168 556476438 /nfs/dbraw/zinc/47/64/38/556476438.db2.gz AETRCOAZQQEETL-LSDHHAIUSA-N 1 2 374.445 2.159 20 30 FEEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369015168 556476441 /nfs/dbraw/zinc/47/64/41/556476441.db2.gz AETRCOAZQQEETL-LSDHHAIUSA-N 1 2 374.445 2.159 20 30 FEEDLO N#Cc1ccc(N2CCC[N@@H+]([C@H]3CCN(CC(F)(F)F)C3=O)CC2)cc1 ZINC000369188630 556530333 /nfs/dbraw/zinc/53/03/33/556530333.db2.gz QHLHUDYXMIKEIP-INIZCTEOSA-N 1 2 366.387 2.234 20 30 FEEDLO N#Cc1ccc(N2CCC[N@H+]([C@H]3CCN(CC(F)(F)F)C3=O)CC2)cc1 ZINC000369188630 556530335 /nfs/dbraw/zinc/53/03/35/556530335.db2.gz QHLHUDYXMIKEIP-INIZCTEOSA-N 1 2 366.387 2.234 20 30 FEEDLO N#Cc1cccc(CNC(=O)C[N@H+]2CCC[C@@H](Oc3ncccc3F)C2)c1 ZINC000369647864 556657775 /nfs/dbraw/zinc/65/77/75/556657775.db2.gz MITFZKPKVLWXPW-QGZVFWFLSA-N 1 2 368.412 2.252 20 30 FEEDLO N#Cc1cccc(CNC(=O)C[N@@H+]2CCC[C@@H](Oc3ncccc3F)C2)c1 ZINC000369647864 556657778 /nfs/dbraw/zinc/65/77/78/556657778.db2.gz MITFZKPKVLWXPW-QGZVFWFLSA-N 1 2 368.412 2.252 20 30 FEEDLO Cc1ccc(C)c(OCCn2cc(C[NH+]3CCOCC3)cc(C#N)c2=O)c1 ZINC000516398966 562041814 /nfs/dbraw/zinc/04/18/14/562041814.db2.gz XWBSREPBBVGTEM-UHFFFAOYSA-N 1 2 367.449 2.248 20 30 FEEDLO COc1cc(/C=C/C(=O)NC[C@@H]2CCn3cc[nH+]c3C2)ccc1OCC#N ZINC000369813061 556702319 /nfs/dbraw/zinc/70/23/19/556702319.db2.gz DPHWTNQOOYGHIY-LLCTXKFZSA-N 1 2 366.421 2.186 20 30 FEEDLO CC(=O)Nc1c[nH]nc1[C@H]1CCC[N@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000369832998 556707294 /nfs/dbraw/zinc/70/72/94/556707294.db2.gz VMUKVFNPJWSBBT-HNNXBMFYSA-N 1 2 366.425 2.058 20 30 FEEDLO CC(=O)Nc1c[nH]nc1[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000369832998 556707296 /nfs/dbraw/zinc/70/72/96/556707296.db2.gz VMUKVFNPJWSBBT-HNNXBMFYSA-N 1 2 366.425 2.058 20 30 FEEDLO CCC(CC)CN(CCC#N)C(=O)c1cnn(CC[NH+]2CCOCC2)c1 ZINC000369933452 556734445 /nfs/dbraw/zinc/73/44/45/556734445.db2.gz DNSXFQJIAYKMSU-UHFFFAOYSA-N 1 2 361.490 2.007 20 30 FEEDLO C=CCN1C(=O)N([C@H]2CCn3cc[nH+]c3C2)C(=O)[C@@H]1Cc1ccccc1 ZINC000516860389 562060864 /nfs/dbraw/zinc/06/08/64/562060864.db2.gz CZAUUBGVPUYHFM-IRXDYDNUSA-N 1 2 350.422 2.259 20 30 FEEDLO C[C@H](CC(=O)N1CSC[C@H]1C(=O)Nc1ccc(C#N)cc1)n1cc[nH+]c1 ZINC000516930758 562065598 /nfs/dbraw/zinc/06/55/98/562065598.db2.gz ZMLZRJORDBHPQP-CJNGLKHVSA-N 1 2 369.450 2.246 20 30 FEEDLO N#Cc1ccsc1NC(=O)C[NH+]1CCC(C(=O)Nc2cccnc2)CC1 ZINC000370752822 556957645 /nfs/dbraw/zinc/95/76/45/556957645.db2.gz BKNKGDBLIWEMCI-UHFFFAOYSA-N 1 2 369.450 2.304 20 30 FEEDLO C#CC[C@H](C)NC(=O)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000371051471 557058896 /nfs/dbraw/zinc/05/88/96/557058896.db2.gz FEKVWQUMVRSBFE-AWEZNQCLSA-N 1 2 350.422 2.353 20 30 FEEDLO N#C[C@@H]1C[N@@H+](C[C@H](O)c2ccc(F)cc2F)C[C@]12C(=O)Nc1ccccc12 ZINC000372229196 557416349 /nfs/dbraw/zinc/41/63/49/557416349.db2.gz UHDVVKHPEIZGPI-OACQNMCBSA-N 1 2 369.371 2.344 20 30 FEEDLO N#C[C@@H]1C[N@H+](C[C@H](O)c2ccc(F)cc2F)C[C@]12C(=O)Nc1ccccc12 ZINC000372229196 557416352 /nfs/dbraw/zinc/41/63/52/557416352.db2.gz UHDVVKHPEIZGPI-OACQNMCBSA-N 1 2 369.371 2.344 20 30 FEEDLO C=C(C)CN(Cc1ccc(CO)o1)c1cc(N2CCCC[C@@H]2CO)[nH+]cn1 ZINC000519564170 562135000 /nfs/dbraw/zinc/13/50/00/562135000.db2.gz RMUFVQVCVPFPTC-MRXNPFEDSA-N 1 2 372.469 2.496 20 30 FEEDLO C=C(C)CN(Cc1ccc(CO)o1)c1cc(N2CCCC[C@@H]2CO)nc[nH+]1 ZINC000519564170 562135001 /nfs/dbraw/zinc/13/50/01/562135001.db2.gz RMUFVQVCVPFPTC-MRXNPFEDSA-N 1 2 372.469 2.496 20 30 FEEDLO N#Cc1ccc(C[C@@H](C#N)C(=O)NCc2cccnc2-n2cc[nH+]c2)cc1 ZINC000373442098 557694574 /nfs/dbraw/zinc/69/45/74/557694574.db2.gz JHRKEDWCAWABGW-SFHVURJKSA-N 1 2 356.389 2.138 20 30 FEEDLO CC[N@@H+]1CCc2nc(NS(=O)(=O)c3ccc(C#N)s3)sc2C1 ZINC000373864176 557776248 /nfs/dbraw/zinc/77/62/48/557776248.db2.gz UXQKFEVVQFLSSR-UHFFFAOYSA-N 1 2 354.482 2.255 20 30 FEEDLO CC[N@H+]1CCc2nc(NS(=O)(=O)c3ccc(C#N)s3)sc2C1 ZINC000373864176 557776250 /nfs/dbraw/zinc/77/62/50/557776250.db2.gz UXQKFEVVQFLSSR-UHFFFAOYSA-N 1 2 354.482 2.255 20 30 FEEDLO C=CCOc1ccc(C(=O)N2CC[NH2+][C@H](c3cccnc3)C2)cc1OC ZINC000374361951 557871561 /nfs/dbraw/zinc/87/15/61/557871561.db2.gz YAPMUUBCFOZENE-KRWDZBQOSA-N 1 2 353.422 2.442 20 30 FEEDLO COC(=O)c1cccc(C[N@@H+]2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)c1 ZINC000374363638 557872025 /nfs/dbraw/zinc/87/20/25/557872025.db2.gz CPCKWSPURVRIAT-IIBYNOLFSA-N 1 2 361.401 2.319 20 30 FEEDLO COC(=O)c1cccc(C[N@H+]2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)c1 ZINC000374363638 557872027 /nfs/dbraw/zinc/87/20/27/557872027.db2.gz CPCKWSPURVRIAT-IIBYNOLFSA-N 1 2 361.401 2.319 20 30 FEEDLO CN(C)C(=O)[C@H](c1ccccc1)[N@@H+]1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000374368603 557872889 /nfs/dbraw/zinc/87/28/89/557872889.db2.gz VNORVVBMLGCXRZ-XWFZLUIHSA-N 1 2 374.444 2.161 20 30 FEEDLO CN(C)C(=O)[C@H](c1ccccc1)[N@H+]1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000374368603 557872891 /nfs/dbraw/zinc/87/28/91/557872891.db2.gz VNORVVBMLGCXRZ-XWFZLUIHSA-N 1 2 374.444 2.161 20 30 FEEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000521108091 562169854 /nfs/dbraw/zinc/16/98/54/562169854.db2.gz RKMVOJBWIABCSB-HNNXBMFYSA-N 1 2 366.421 2.196 20 30 FEEDLO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CC[C@](O)(c3ccc(F)cc3)C2)C1=O ZINC000374880544 557945027 /nfs/dbraw/zinc/94/50/27/557945027.db2.gz VJERNYUNTCKJAP-VQIMIIECSA-N 1 2 371.437 2.458 20 30 FEEDLO N#Cc1ccsc1N1CC[C@@H]([N@H+]2CC[C@](O)(c3ccc(F)cc3)C2)C1=O ZINC000374880544 557945029 /nfs/dbraw/zinc/94/50/29/557945029.db2.gz VJERNYUNTCKJAP-VQIMIIECSA-N 1 2 371.437 2.458 20 30 FEEDLO C=CCCC[C@H](C)NC(=O)N1CCC[N@H+](CC(=O)NC(C)(C)C)CC1 ZINC000375022231 557965774 /nfs/dbraw/zinc/96/57/74/557965774.db2.gz QTGJWVFCYVZQGT-INIZCTEOSA-N 1 2 352.523 2.363 20 30 FEEDLO C=CCCC[C@H](C)NC(=O)N1CCC[N@@H+](CC(=O)NC(C)(C)C)CC1 ZINC000375022231 557965775 /nfs/dbraw/zinc/96/57/75/557965775.db2.gz QTGJWVFCYVZQGT-INIZCTEOSA-N 1 2 352.523 2.363 20 30 FEEDLO CC(C)(C)OC(=O)N1CCC[N@H+](CC(=O)NCc2cccc(C#N)c2)CC1 ZINC000375904077 558096949 /nfs/dbraw/zinc/09/69/49/558096949.db2.gz JJLKKCNRMQLJJO-UHFFFAOYSA-N 1 2 372.469 2.117 20 30 FEEDLO CC(C)(C)OC(=O)N1CCC[N@@H+](CC(=O)NCc2cccc(C#N)c2)CC1 ZINC000375904077 558096952 /nfs/dbraw/zinc/09/69/52/558096952.db2.gz JJLKKCNRMQLJJO-UHFFFAOYSA-N 1 2 372.469 2.117 20 30 FEEDLO C=C(Cl)CNC(=O)N1CC[C@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000376344232 558160663 /nfs/dbraw/zinc/16/06/63/558160663.db2.gz PADFOEFFALENIP-AWEZNQCLSA-N 1 2 372.897 2.076 20 30 FEEDLO C=CC[C@@H](C(=O)N1CCC(N2CC[N@@H+](C)CC2=O)CC1)c1ccccc1 ZINC000376905480 558237225 /nfs/dbraw/zinc/23/72/25/558237225.db2.gz BAYXUCPTILEVTR-LJQANCHMSA-N 1 2 355.482 2.111 20 30 FEEDLO C=CC[C@@H](C(=O)N1CCC(N2CC[N@H+](C)CC2=O)CC1)c1ccccc1 ZINC000376905480 558237228 /nfs/dbraw/zinc/23/72/28/558237228.db2.gz BAYXUCPTILEVTR-LJQANCHMSA-N 1 2 355.482 2.111 20 30 FEEDLO CC[C@](C)(C#N)C(=O)N1CC[NH+]([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000377121995 558270787 /nfs/dbraw/zinc/27/07/87/558270787.db2.gz BCNGXUSLXUOWLX-HNAYVOBHSA-N 1 2 364.490 2.080 20 30 FEEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)CCCC(=O)Nc2ccccc2C#N)C1 ZINC000378271084 558516727 /nfs/dbraw/zinc/51/67/27/558516727.db2.gz UGZRSOMDEYTKSM-MRXNPFEDSA-N 1 2 365.437 2.417 20 30 FEEDLO N#CCCn1cc(C[N@@H+]2CCN3C(=O)OC[C@@H]3C2)c(-c2ccccc2)n1 ZINC000378345484 558534969 /nfs/dbraw/zinc/53/49/69/558534969.db2.gz KUJKBQQRFBECKW-KRWDZBQOSA-N 1 2 351.410 2.100 20 30 FEEDLO N#CCCn1cc(C[N@H+]2CCN3C(=O)OC[C@@H]3C2)c(-c2ccccc2)n1 ZINC000378345484 558534970 /nfs/dbraw/zinc/53/49/70/558534970.db2.gz KUJKBQQRFBECKW-KRWDZBQOSA-N 1 2 351.410 2.100 20 30 FEEDLO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000408182920 558654775 /nfs/dbraw/zinc/65/47/75/558654775.db2.gz OBERNPDWIYDVRM-OCCSQVGLSA-N 1 2 353.875 2.459 20 30 FEEDLO C[C@@H]1C[N@H+]2CCCC[C@H]2CN1S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000408182920 558654776 /nfs/dbraw/zinc/65/47/76/558654776.db2.gz OBERNPDWIYDVRM-OCCSQVGLSA-N 1 2 353.875 2.459 20 30 FEEDLO C=CCN1CC[C@H]([NH+]2CCN(Cc3c(F)cccc3Cl)CC2)C1=O ZINC000410304768 558750911 /nfs/dbraw/zinc/75/09/11/558750911.db2.gz FOZYOWADFFYYJN-KRWDZBQOSA-N 1 2 351.853 2.384 20 30 FEEDLO C=CCN(CCc1ccco1)C(=O)C(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000410822097 558814381 /nfs/dbraw/zinc/81/43/81/558814381.db2.gz FEKRCSLNYWDFAU-UHFFFAOYSA-N 1 2 370.453 2.028 20 30 FEEDLO C[C@H]1CN(C(=O)C(=O)Nc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000411820114 558969566 /nfs/dbraw/zinc/96/95/66/558969566.db2.gz MZLAWTYTLBCCPZ-INIZCTEOSA-N 1 2 362.433 2.230 20 30 FEEDLO C[C@H]1CN(C(=O)C(=O)Nc2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000411820114 558969567 /nfs/dbraw/zinc/96/95/67/558969567.db2.gz MZLAWTYTLBCCPZ-INIZCTEOSA-N 1 2 362.433 2.230 20 30 FEEDLO Cc1oc(NC(=O)C[N@@H+]2CCC[C@H](N3CCCC3=O)CC2)c(C#N)c1C ZINC000412059811 559007955 /nfs/dbraw/zinc/00/79/55/559007955.db2.gz YFVRPOUNXCISPN-HNNXBMFYSA-N 1 2 358.442 2.184 20 30 FEEDLO Cc1oc(NC(=O)C[N@H+]2CCC[C@H](N3CCCC3=O)CC2)c(C#N)c1C ZINC000412059811 559007956 /nfs/dbraw/zinc/00/79/56/559007956.db2.gz YFVRPOUNXCISPN-HNNXBMFYSA-N 1 2 358.442 2.184 20 30 FEEDLO COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)Cc2ccc(C#N)cc2)C1 ZINC000412360932 559030786 /nfs/dbraw/zinc/03/07/86/559030786.db2.gz SHLVCOIGZSJLOA-SFHVURJKSA-N 1 2 371.481 2.128 20 30 FEEDLO COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)C(C)(C)Cc2ccc(C#N)cc2)C1 ZINC000412360932 559030787 /nfs/dbraw/zinc/03/07/87/559030787.db2.gz SHLVCOIGZSJLOA-SFHVURJKSA-N 1 2 371.481 2.128 20 30 FEEDLO CCOC(=O)C[N@@H+]1CCCN(c2cc(C(F)(F)F)cnc2C#N)CC1 ZINC000413159458 559084226 /nfs/dbraw/zinc/08/42/26/559084226.db2.gz KWPFOZCXRYTOBI-UHFFFAOYSA-N 1 2 356.348 2.047 20 30 FEEDLO CCOC(=O)C[N@H+]1CCCN(c2cc(C(F)(F)F)cnc2C#N)CC1 ZINC000413159458 559084227 /nfs/dbraw/zinc/08/42/27/559084227.db2.gz KWPFOZCXRYTOBI-UHFFFAOYSA-N 1 2 356.348 2.047 20 30 FEEDLO CC(C)(C[NH+]1CCOCC1)NC(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000413951792 559142937 /nfs/dbraw/zinc/14/29/37/559142937.db2.gz CJLJQGLTAGVCJD-UHFFFAOYSA-N 1 2 354.410 2.054 20 30 FEEDLO Cc1cc2nnc(SC[C@H](O)C[N@H+](C)CCC#N)n2c2ccccc12 ZINC000414098959 559149197 /nfs/dbraw/zinc/14/91/97/559149197.db2.gz PYPGOXDOGNKKFT-CQSZACIVSA-N 1 2 355.467 2.489 20 30 FEEDLO Cc1cc2nnc(SC[C@H](O)C[N@@H+](C)CCC#N)n2c2ccccc12 ZINC000414098959 559149198 /nfs/dbraw/zinc/14/91/98/559149198.db2.gz PYPGOXDOGNKKFT-CQSZACIVSA-N 1 2 355.467 2.489 20 30 FEEDLO C[N@H+](CCC#N)C[C@@H](O)COc1cccc(C(=O)NCc2ccccc2)c1 ZINC000414107540 559149436 /nfs/dbraw/zinc/14/94/36/559149436.db2.gz KJEVKQPDYGRZST-LJQANCHMSA-N 1 2 367.449 2.202 20 30 FEEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1cccc(C(=O)NCc2ccccc2)c1 ZINC000414107540 559149438 /nfs/dbraw/zinc/14/94/38/559149438.db2.gz KJEVKQPDYGRZST-LJQANCHMSA-N 1 2 367.449 2.202 20 30 FEEDLO C[C@H]([NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000419313949 559436510 /nfs/dbraw/zinc/43/65/10/559436510.db2.gz TVBSLWILFBMORC-NJSLBKSFSA-N 1 2 362.433 2.041 20 30 FEEDLO CC(=O)N[C@H]1CC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000420965274 559514823 /nfs/dbraw/zinc/51/48/23/559514823.db2.gz YDAKQLVASXIYNB-AEFFLSMTSA-N 1 2 356.470 2.149 20 30 FEEDLO CC(=O)N[C@H]1CC[N@H+]([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000420965274 559514824 /nfs/dbraw/zinc/51/48/24/559514824.db2.gz YDAKQLVASXIYNB-AEFFLSMTSA-N 1 2 356.470 2.149 20 30 FEEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000527295465 562284158 /nfs/dbraw/zinc/28/41/58/562284158.db2.gz HYIOVDGRNJUEEC-KRWDZBQOSA-N 1 2 365.481 2.017 20 30 FEEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000527295465 562284159 /nfs/dbraw/zinc/28/41/59/562284159.db2.gz HYIOVDGRNJUEEC-KRWDZBQOSA-N 1 2 365.481 2.017 20 30 FEEDLO Cc1cc(NCc2ccccc2S(=O)(=O)NC(C)(C)C)c(C#N)c[nH+]1 ZINC000425214163 559691728 /nfs/dbraw/zinc/69/17/28/559691728.db2.gz IQGJDKCMSSUESJ-UHFFFAOYSA-N 1 2 358.467 2.373 20 30 FEEDLO N#CCCN(CCC#N)C(=O)C[N@H+]1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 ZINC000425552925 559709526 /nfs/dbraw/zinc/70/95/26/559709526.db2.gz RPGSNNXLPYVHKQ-SJLPKXTDSA-N 1 2 360.845 2.104 20 30 FEEDLO N#CCCN(CCC#N)C(=O)C[N@@H+]1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 ZINC000425552925 559709527 /nfs/dbraw/zinc/70/95/27/559709527.db2.gz RPGSNNXLPYVHKQ-SJLPKXTDSA-N 1 2 360.845 2.104 20 30 FEEDLO C=CCNC(=O)c1cccc(S(=O)(=O)Nc2cccc3c2C[N@H+](C)C3)c1 ZINC000427769560 559761989 /nfs/dbraw/zinc/76/19/89/559761989.db2.gz WLKSYUPURSLNEG-UHFFFAOYSA-N 1 2 371.462 2.349 20 30 FEEDLO C=CCNC(=O)c1cccc(S(=O)(=O)Nc2cccc3c2C[N@@H+](C)C3)c1 ZINC000427769560 559761990 /nfs/dbraw/zinc/76/19/90/559761990.db2.gz WLKSYUPURSLNEG-UHFFFAOYSA-N 1 2 371.462 2.349 20 30 FEEDLO C=CCOc1ccc(C[NH+]2CCN(C(C)(C)C(=O)OC)CC2)cc1OC ZINC000428411197 559775118 /nfs/dbraw/zinc/77/51/18/559775118.db2.gz CRRVKRUWJXJCPA-UHFFFAOYSA-N 1 2 362.470 2.329 20 30 FEEDLO Cc1ccoc1C[N@H+](C)CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 ZINC000429389465 559797426 /nfs/dbraw/zinc/79/74/26/559797426.db2.gz QIRGOSIBWADLOV-INIZCTEOSA-N 1 2 372.494 2.490 20 30 FEEDLO Cc1ccoc1C[N@@H+](C)CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 ZINC000429389465 559797427 /nfs/dbraw/zinc/79/74/27/559797427.db2.gz QIRGOSIBWADLOV-INIZCTEOSA-N 1 2 372.494 2.490 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1C[C@H](C)O[C@@]2(CCO[C@H](C)C2)C1 ZINC000430275649 559816698 /nfs/dbraw/zinc/81/66/98/559816698.db2.gz BEWKOVKWBFAFDF-NZKYLMMGSA-N 1 2 351.491 2.088 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1C[C@H](C)O[C@@]2(CCO[C@H](C)C2)C1 ZINC000430275649 559816699 /nfs/dbraw/zinc/81/66/99/559816699.db2.gz BEWKOVKWBFAFDF-NZKYLMMGSA-N 1 2 351.491 2.088 20 30 FEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ncc(Br)cn1 ZINC000431097156 559833967 /nfs/dbraw/zinc/83/39/67/559833967.db2.gz BADSXEBZIJUWMI-NWDGAFQWSA-N 1 2 353.264 2.479 20 30 FEEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+](C)CC(=O)N(CC)CC ZINC000432805398 559865254 /nfs/dbraw/zinc/86/52/54/559865254.db2.gz LZRHGRZJKLUUOQ-OAHLLOKOSA-N 1 2 351.516 2.451 20 30 FEEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+](C)CC(=O)N(CC)CC ZINC000432805398 559865255 /nfs/dbraw/zinc/86/52/55/559865255.db2.gz LZRHGRZJKLUUOQ-OAHLLOKOSA-N 1 2 351.516 2.451 20 30 FEEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+](C)CC(=O)N(CC)CC ZINC000432805396 559865345 /nfs/dbraw/zinc/86/53/45/559865345.db2.gz LZRHGRZJKLUUOQ-HNNXBMFYSA-N 1 2 351.516 2.451 20 30 FEEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+](C)CC(=O)N(CC)CC ZINC000432805396 559865346 /nfs/dbraw/zinc/86/53/46/559865346.db2.gz LZRHGRZJKLUUOQ-HNNXBMFYSA-N 1 2 351.516 2.451 20 30 FEEDLO C[C@@H](CN1CCOCC1)[N@H+](C)Cc1ccc(C#N)cc1Br ZINC000434712439 559907250 /nfs/dbraw/zinc/90/72/50/559907250.db2.gz BXIRTCHOQRKVGP-ZDUSSCGKSA-N 1 2 352.276 2.473 20 30 FEEDLO C[C@@H](CN1CCOCC1)[N@@H+](C)Cc1ccc(C#N)cc1Br ZINC000434712439 559907251 /nfs/dbraw/zinc/90/72/51/559907251.db2.gz BXIRTCHOQRKVGP-ZDUSSCGKSA-N 1 2 352.276 2.473 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000437525159 559965606 /nfs/dbraw/zinc/96/56/06/559965606.db2.gz OMQKKUGGBMGPHI-KKSFZXQISA-N 1 2 374.481 2.159 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000437525159 559965607 /nfs/dbraw/zinc/96/56/07/559965607.db2.gz OMQKKUGGBMGPHI-KKSFZXQISA-N 1 2 374.481 2.159 20 30 FEEDLO CC(C)(C)OC(=O)C[NH2+][C@]1(C)CCN(c2cc(C#N)ccc2[N+](=O)[O-])C1 ZINC000440649627 560015518 /nfs/dbraw/zinc/01/55/18/560015518.db2.gz HGQYCQXTDGZEIX-GOSISDBHSA-N 1 2 360.414 2.367 20 30 FEEDLO CCOc1ccccc1C[N@@H+]1CCN(CC(=O)N(CC)CCC#N)[C@H](C)C1 ZINC000441337482 560028827 /nfs/dbraw/zinc/02/88/27/560028827.db2.gz JLEMCQGPLPXBDV-GOSISDBHSA-N 1 2 372.513 2.354 20 30 FEEDLO CCOc1ccccc1C[N@H+]1CCN(CC(=O)N(CC)CCC#N)[C@H](C)C1 ZINC000441337482 560028828 /nfs/dbraw/zinc/02/88/28/560028828.db2.gz JLEMCQGPLPXBDV-GOSISDBHSA-N 1 2 372.513 2.354 20 30 FEEDLO CCOc1ccccc1CN1CC[N@H+](CC(=O)N(CC)CCC#N)[C@H](C)C1 ZINC000441337482 560028829 /nfs/dbraw/zinc/02/88/29/560028829.db2.gz JLEMCQGPLPXBDV-GOSISDBHSA-N 1 2 372.513 2.354 20 30 FEEDLO CCOc1ccccc1CN1CC[N@@H+](CC(=O)N(CC)CCC#N)[C@H](C)C1 ZINC000441337482 560028830 /nfs/dbraw/zinc/02/88/30/560028830.db2.gz JLEMCQGPLPXBDV-GOSISDBHSA-N 1 2 372.513 2.354 20 30 FEEDLO Cc1ccc(C[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)c(N2CCOCC2)c1 ZINC000441739257 560038478 /nfs/dbraw/zinc/03/84/78/560038478.db2.gz QKPJZBBKSIYPLE-FQEVSTJZSA-N 1 2 364.449 2.020 20 30 FEEDLO C=C[C@@](C)(CCOC)C(=O)N1CC[C@@](C)([NH2+]CC(=O)OC(C)(C)C)C1 ZINC000442838027 560059089 /nfs/dbraw/zinc/05/90/89/560059089.db2.gz OUBSJMFDNGVNBC-RBUKOAKNSA-N 1 2 354.491 2.138 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Cc3ccc4c[nH]nc4c3)CC2)cc1 ZINC000527506496 562290379 /nfs/dbraw/zinc/29/03/79/562290379.db2.gz OQEOOEIZUXBMIQ-UHFFFAOYSA-N 1 2 359.433 2.321 20 30 FEEDLO CSc1[nH]c(=O)c(C(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)cc1C#N ZINC000448426199 560186762 /nfs/dbraw/zinc/18/67/62/560186762.db2.gz NQPLHUZOADMQFH-ZDUSSCGKSA-N 1 2 362.499 2.479 20 30 FEEDLO CSc1[nH]c(=O)c(C(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)cc1C#N ZINC000448426199 560186763 /nfs/dbraw/zinc/18/67/63/560186763.db2.gz NQPLHUZOADMQFH-ZDUSSCGKSA-N 1 2 362.499 2.479 20 30 FEEDLO Cn1cc(CN(CCC#N)CC[NH+]2CCOCC2)c(-c2ccc(F)cc2)n1 ZINC000448989198 560210544 /nfs/dbraw/zinc/21/05/44/560210544.db2.gz DALMUFPJFYNSKG-UHFFFAOYSA-N 1 2 371.460 2.274 20 30 FEEDLO C=CC[N@@H+](Cc1cn(C)nc1-c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000449019469 560212208 /nfs/dbraw/zinc/21/22/08/560212208.db2.gz WQLPEFAAMZLYST-QGZVFWFLSA-N 1 2 363.458 2.401 20 30 FEEDLO C=CC[N@H+](Cc1cn(C)nc1-c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000449019469 560212209 /nfs/dbraw/zinc/21/22/09/560212209.db2.gz WQLPEFAAMZLYST-QGZVFWFLSA-N 1 2 363.458 2.401 20 30 FEEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCCC[C@@H]1c1n[nH]c(=O)[nH]1 ZINC000450987605 560281263 /nfs/dbraw/zinc/28/12/63/560281263.db2.gz LXUNMQPUSDMUSB-HZPDHXFCSA-N 1 2 358.442 2.206 20 30 FEEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCCC[C@@H]1c1n[nH]c(=O)[nH]1 ZINC000450987605 560281264 /nfs/dbraw/zinc/28/12/64/560281264.db2.gz LXUNMQPUSDMUSB-HZPDHXFCSA-N 1 2 358.442 2.206 20 30 FEEDLO CCOC(=O)C1([S@@](C)=O)CC[NH+](Cc2ccc(C#N)cc2Cl)CC1 ZINC000451207835 560293082 /nfs/dbraw/zinc/29/30/82/560293082.db2.gz MDZAKOMABAUHKB-XMMPIXPASA-N 1 2 368.886 2.488 20 30 FEEDLO CC(C)(C)OC(=O)C[NH2+][C@]1(C)CCN(C(=O)[C@]2(C#N)CC23CCCC3)C1 ZINC000451446698 560307595 /nfs/dbraw/zinc/30/75/95/560307595.db2.gz QPNONEZOEVJTRB-UYAOXDASSA-N 1 2 361.486 2.383 20 30 FEEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 ZINC000453604669 560390716 /nfs/dbraw/zinc/39/07/16/560390716.db2.gz WAIBAJQCIUQXIC-CYBMUJFWSA-N 1 2 369.425 2.075 20 30 FEEDLO Cc1cc(C#N)cc(NC(=O)C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000453659951 560394316 /nfs/dbraw/zinc/39/43/16/560394316.db2.gz DYUBCMDNVBJZGB-WMLDXEAASA-N 1 2 351.410 2.111 20 30 FEEDLO CCn1ccnc1[C@@H](C)NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000455443652 560482542 /nfs/dbraw/zinc/48/25/42/560482542.db2.gz DLZIPELMTQVCHO-MRXNPFEDSA-N 1 2 366.469 2.363 20 30 FEEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)Nc3ccc(OC(C)(C)C)c(C#N)c3)C[C@H]21 ZINC000455776074 560494657 /nfs/dbraw/zinc/49/46/57/560494657.db2.gz RUIQPIAOQMQRFH-WBVHZDCISA-N 1 2 358.442 2.282 20 30 FEEDLO C[N@H+]1CCO[C@H]2CN(C(=O)Nc3ccc(OC(C)(C)C)c(C#N)c3)C[C@H]21 ZINC000455776074 560494658 /nfs/dbraw/zinc/49/46/58/560494658.db2.gz RUIQPIAOQMQRFH-WBVHZDCISA-N 1 2 358.442 2.282 20 30 FEEDLO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N[C@@H]3C[C@H](C)n4cc[nH+]c43)C2)n1 ZINC000456441655 560520653 /nfs/dbraw/zinc/52/06/53/560520653.db2.gz ZIBFEXDDPLZKPB-BHYGNILZSA-N 1 2 364.453 2.497 20 30 FEEDLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)N[C@H](CCCC#N)c2ccccc2)CC1 ZINC000458808356 560649555 /nfs/dbraw/zinc/64/95/55/560649555.db2.gz ZAWQQXXMVMEOAM-QGZVFWFLSA-N 1 2 371.485 2.013 20 30 FEEDLO CC(C)(CC#N)CNC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000459249126 560676077 /nfs/dbraw/zinc/67/60/77/560676077.db2.gz YNXFYYFXJSCIRN-MSOLQXFVSA-N 1 2 356.470 2.221 20 30 FEEDLO CC(C)(CC#N)CNC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000459249126 560676078 /nfs/dbraw/zinc/67/60/78/560676078.db2.gz YNXFYYFXJSCIRN-MSOLQXFVSA-N 1 2 356.470 2.221 20 30 FEEDLO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CC[NH+](CC)CC1 ZINC000459864737 560714569 /nfs/dbraw/zinc/71/45/69/560714569.db2.gz QYBJPFNIDUNFDH-UHFFFAOYSA-N 1 2 355.891 2.080 20 30 FEEDLO CC(C)C[C@H](CNS(=O)(=O)CC1(C#N)CCCCC1)[NH+]1CCOCC1 ZINC000460473546 560744278 /nfs/dbraw/zinc/74/42/78/560744278.db2.gz TZNXRACDSOUWAR-QGZVFWFLSA-N 1 2 371.547 2.127 20 30 FEEDLO COc1cccc(OCC[NH+]2CCN(C(=O)N[C@H]3CCC[C@H]3C#N)CC2)c1 ZINC000461961414 560789965 /nfs/dbraw/zinc/78/99/65/560789965.db2.gz URBFNORYVYYAEI-LPHOPBHVSA-N 1 2 372.469 2.093 20 30 FEEDLO COc1cc(C#N)ccc1S(=O)(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000463685482 560821247 /nfs/dbraw/zinc/82/12/47/560821247.db2.gz SIOWNZJYHMSHMU-UHFFFAOYSA-N 1 2 356.407 2.002 20 30 FEEDLO COC(=O)C1CCN(C(=O)C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)CC1 ZINC000464819657 560852573 /nfs/dbraw/zinc/85/25/73/560852573.db2.gz TXKNKZORJQUDAA-RBUKOAKNSA-N 1 2 369.465 2.170 20 30 FEEDLO COC(=O)C1CCN(C(=O)C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)CC1 ZINC000464819657 560852574 /nfs/dbraw/zinc/85/25/74/560852574.db2.gz TXKNKZORJQUDAA-RBUKOAKNSA-N 1 2 369.465 2.170 20 30 FEEDLO C=CC[C@H](CC)NC(=O)N1CC[NH+](CC(=O)N2CCCC[C@H]2C)CC1 ZINC000466378308 560885430 /nfs/dbraw/zinc/88/54/30/560885430.db2.gz KTLRZRTWQUPYRG-SJORKVTESA-N 1 2 350.507 2.069 20 30 FEEDLO C[NH+](C)[C@@H](CNS(=O)(=O)c1c(F)cc(C#N)cc1F)c1ccsc1 ZINC000467152446 560904904 /nfs/dbraw/zinc/90/49/04/560904904.db2.gz OZMBSCZJXUKYHC-AWEZNQCLSA-N 1 2 371.434 2.479 20 30 FEEDLO C=CCn1nnnc1S[C@@H](C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000468114410 560922824 /nfs/dbraw/zinc/92/28/24/560922824.db2.gz XNUBFFKAJOWEBW-NSHDSACASA-N 1 2 355.427 2.369 20 30 FEEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCSC[C@@H]2CCO)c1C ZINC000470210184 560976826 /nfs/dbraw/zinc/97/68/26/560976826.db2.gz ACHGPDGPIXJXJG-KRWDZBQOSA-N 1 2 361.511 2.350 20 30 FEEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCSC[C@@H]2CCO)c1C ZINC000470210184 560976827 /nfs/dbraw/zinc/97/68/27/560976827.db2.gz ACHGPDGPIXJXJG-KRWDZBQOSA-N 1 2 361.511 2.350 20 30 FEEDLO Cn1nc2ccccc2c1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000475380713 561095866 /nfs/dbraw/zinc/09/58/66/561095866.db2.gz OKYCKBJQBIERPF-UHFFFAOYSA-N 1 2 359.433 2.403 20 30 FEEDLO C=CCCC1(C(=O)NCc2ccc[nH+]c2N2CCC(C(N)=O)CC2)CC1 ZINC000475650414 561101567 /nfs/dbraw/zinc/10/15/67/561101567.db2.gz MVDCNOAXPRCKKA-UHFFFAOYSA-N 1 2 356.470 2.146 20 30 FEEDLO O=C1c2ccccc2C(=O)N1CC#CC[NH+]1CCN(c2ccccc2)CC1 ZINC000528342723 562323746 /nfs/dbraw/zinc/32/37/46/562323746.db2.gz QVEYSZRJUFKNBT-UHFFFAOYSA-N 1 2 359.429 2.108 20 30 FEEDLO N#Cc1ccccc1OC[C@H](O)C[NH+]1CCN(c2c(F)cccc2F)CC1 ZINC000528536884 562334804 /nfs/dbraw/zinc/33/48/04/562334804.db2.gz LAHFRPVLLGQJPK-MRXNPFEDSA-N 1 2 373.403 2.398 20 30 FEEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCO[C@@H](COCC)C1 ZINC000528724694 562344079 /nfs/dbraw/zinc/34/40/79/562344079.db2.gz USZJGMVICTUYDC-HZPDHXFCSA-N 1 2 352.500 2.389 20 30 FEEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCO[C@@H](COCC)C1 ZINC000528724694 562344080 /nfs/dbraw/zinc/34/40/80/562344080.db2.gz USZJGMVICTUYDC-HZPDHXFCSA-N 1 2 352.500 2.389 20 30 FEEDLO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCc3nc(C4CC4)ncc3C2)cc1 ZINC000528736377 562344943 /nfs/dbraw/zinc/34/49/43/562344943.db2.gz CEGCPDKYAKGBGE-QGZVFWFLSA-N 1 2 350.422 2.024 20 30 FEEDLO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCc3nc(C4CC4)ncc3C2)cc1 ZINC000528736377 562344944 /nfs/dbraw/zinc/34/49/44/562344944.db2.gz CEGCPDKYAKGBGE-QGZVFWFLSA-N 1 2 350.422 2.024 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cnc(-c2ccccc2)nc1 ZINC000532934592 562492858 /nfs/dbraw/zinc/49/28/58/562492858.db2.gz FSEPSBGYPXBTQD-UHFFFAOYSA-N 1 2 351.454 2.191 20 30 FEEDLO C=CCCOCCNC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000533826369 562519184 /nfs/dbraw/zinc/51/91/84/562519184.db2.gz IWTKBYCBDISAGH-IBGZPJMESA-N 1 2 361.486 2.260 20 30 FEEDLO C=CCCOCCNC(=O)N[C@H](C[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000533826373 562519253 /nfs/dbraw/zinc/51/92/53/562519253.db2.gz IWTKBYCBDISAGH-LJQANCHMSA-N 1 2 361.486 2.260 20 30 FEEDLO C=CC[C@@H](CO)CNC(=O)C1CCN(c2ccc3cccc(O)c3[nH+]2)CC1 ZINC000541892006 562622469 /nfs/dbraw/zinc/62/24/69/562622469.db2.gz SYVGWHFTVPDNHE-OAHLLOKOSA-N 1 2 369.465 2.458 20 30 FEEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)CC1 ZINC000602087268 567921583 /nfs/dbraw/zinc/92/15/83/567921583.db2.gz BYMNSPFPRQHPEA-KGLIPLIRSA-N 1 2 357.380 2.069 20 30 FEEDLO C=CCCC(C)(C)CNC(=O)C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000636722779 567972375 /nfs/dbraw/zinc/97/23/75/567972375.db2.gz LQUVPDINEOSVCJ-UHFFFAOYSA-N 1 2 356.470 2.410 20 30 FEEDLO COc1cc2c(cc1OC)[C@@H](N(CCC#N)CC[NH+]1CCOCC1)CC2 ZINC000602424739 567979029 /nfs/dbraw/zinc/97/90/29/567979029.db2.gz LIUKXFCHGQOJNV-SFHVURJKSA-N 1 2 359.470 2.239 20 30 FEEDLO COc1cc2c(cc1OC)[C@@H]([N@H+](CCC#N)CCN1CCOCC1)CC2 ZINC000602424739 567979030 /nfs/dbraw/zinc/97/90/30/567979030.db2.gz LIUKXFCHGQOJNV-SFHVURJKSA-N 1 2 359.470 2.239 20 30 FEEDLO COc1cc2c(cc1OC)[C@@H]([N@@H+](CCC#N)CCN1CCOCC1)CC2 ZINC000602424739 567979031 /nfs/dbraw/zinc/97/90/31/567979031.db2.gz LIUKXFCHGQOJNV-SFHVURJKSA-N 1 2 359.470 2.239 20 30 FEEDLO C[C@H](C(=O)Nc1cccc2ncccc21)[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602866675 568008354 /nfs/dbraw/zinc/00/83/54/568008354.db2.gz WZDJDDXMKYWIES-OWCLPIDISA-N 1 2 351.454 2.480 20 30 FEEDLO C[C@H](C(=O)Nc1cccc2ncccc21)[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602866675 568008355 /nfs/dbraw/zinc/00/83/55/568008355.db2.gz WZDJDDXMKYWIES-OWCLPIDISA-N 1 2 351.454 2.480 20 30 FEEDLO C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(OC(F)(F)F)cc2)C[C@H](C)N1CC#N ZINC000602867359 568008579 /nfs/dbraw/zinc/00/85/79/568008579.db2.gz YCUFYUSJMBSEDK-BETUJISGSA-N 1 2 370.375 2.442 20 30 FEEDLO C[C@@H]1C[N@H+](CC(=O)Nc2ccc(OC(F)(F)F)cc2)C[C@H](C)N1CC#N ZINC000602867359 568008581 /nfs/dbraw/zinc/00/85/81/568008581.db2.gz YCUFYUSJMBSEDK-BETUJISGSA-N 1 2 370.375 2.442 20 30 FEEDLO C[C@H](CC1(C#N)CCOCC1)Nc1cccc(C[N@@H+]2CCNC(=O)C2)c1 ZINC000602674507 568008810 /nfs/dbraw/zinc/00/88/10/568008810.db2.gz DJKULMBDQIXPCP-MRXNPFEDSA-N 1 2 356.470 2.129 20 30 FEEDLO C[C@H](CC1(C#N)CCOCC1)Nc1cccc(C[N@H+]2CCNC(=O)C2)c1 ZINC000602674507 568008812 /nfs/dbraw/zinc/00/88/12/568008812.db2.gz DJKULMBDQIXPCP-MRXNPFEDSA-N 1 2 356.470 2.129 20 30 FEEDLO CC(C)OCc1ccc(CNC(=O)C[N@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)cc1 ZINC000602860495 568049395 /nfs/dbraw/zinc/04/93/95/568049395.db2.gz IVVCRSBJZMDKEN-HDICACEKSA-N 1 2 372.513 2.146 20 30 FEEDLO CC(C)OCc1ccc(CNC(=O)C[N@@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)cc1 ZINC000602860495 568049397 /nfs/dbraw/zinc/04/93/97/568049397.db2.gz IVVCRSBJZMDKEN-HDICACEKSA-N 1 2 372.513 2.146 20 30 FEEDLO CC(C)[C@@H](C#N)N1CC[NH+](CC(=O)N[C@H]2CCCc3ccccc32)CC1 ZINC000609486248 568346263 /nfs/dbraw/zinc/34/62/63/568346263.db2.gz GRWHYFLSFUXWEO-VQTJNVASSA-N 1 2 354.498 2.346 20 30 FEEDLO CC(C)[C@@H](C#N)N1CC[NH+]([C@@H](C)C(=O)NCCc2ccc(F)cc2)CC1 ZINC000609487280 568346702 /nfs/dbraw/zinc/34/67/02/568346702.db2.gz ZXQWOFLPQPJKHQ-QFBILLFUSA-N 1 2 360.477 2.039 20 30 FEEDLO C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000569535710 568406488 /nfs/dbraw/zinc/40/64/88/568406488.db2.gz WASZXGQXDMLIGF-VXNCWWDNSA-N 1 2 369.513 2.405 20 30 FEEDLO COc1cc(C#N)ccc1NC(=O)N[C@@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000570680632 568495163 /nfs/dbraw/zinc/49/51/63/568495163.db2.gz PJSAEUQMWJMLLS-HNNXBMFYSA-N 1 2 357.414 2.182 20 30 FEEDLO N#CCC[C@H](C#N)C[NH+]1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000737682316 598789155 /nfs/dbraw/zinc/78/91/55/598789155.db2.gz HDWHEQOOJPPNLH-CQSZACIVSA-N 1 2 351.414 2.153 20 30 FEEDLO C[C@H]1C[N@H+](C)[C@@H](C)CN1S(=O)(=O)c1cccc(Br)c1C#N ZINC000557841555 674470208 /nfs/dbraw/zinc/47/02/08/674470208.db2.gz XAKJVLMHBPKKCM-QWRGUYRKSA-N 1 2 372.288 2.034 20 30 FEEDLO C[C@H]1C[N@@H+](C)[C@@H](C)CN1S(=O)(=O)c1cccc(Br)c1C#N ZINC000557841555 674470210 /nfs/dbraw/zinc/47/02/10/674470210.db2.gz XAKJVLMHBPKKCM-QWRGUYRKSA-N 1 2 372.288 2.034 20 30 FEEDLO C=C(C)C[N@@H+](CC)CC(=O)N([C@@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000048617338 670269651 /nfs/dbraw/zinc/26/96/51/670269651.db2.gz XFXKPQFLBLLATN-QGZVFWFLSA-N 1 2 356.532 2.233 20 30 FEEDLO C=C(C)C[N@H+](CC)CC(=O)N([C@@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000048617338 670269655 /nfs/dbraw/zinc/26/96/55/670269655.db2.gz XFXKPQFLBLLATN-QGZVFWFLSA-N 1 2 356.532 2.233 20 30 FEEDLO C=CCn1c(C)nn(CN2CC[NH+](Cc3c(C)noc3C)CC2)c1=S ZINC000064111613 670417398 /nfs/dbraw/zinc/41/73/98/670417398.db2.gz YBGVQWCERXXYRA-UHFFFAOYSA-N 1 2 362.503 2.289 20 30 FEEDLO C#CCC[NH+]1CCN(S(=O)(=O)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000101574848 670769088 /nfs/dbraw/zinc/76/90/88/670769088.db2.gz MYCDCVFRXOLDCE-UHFFFAOYSA-N 1 2 360.401 2.176 20 30 FEEDLO CC(=O)OC1CC[NH+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000153225369 672194951 /nfs/dbraw/zinc/19/49/51/672194951.db2.gz BEDBTTQALOKEEE-NSHDSACASA-N 1 2 361.467 2.463 20 30 FEEDLO CSc1nc(C2CC2)cc(C(=O)N[C@@H]2CCc3c[nH+]cn3C2)c1C#N ZINC000587061558 672440432 /nfs/dbraw/zinc/44/04/32/672440432.db2.gz HOIJEVDOABMDRH-GFCCVEGCSA-N 1 2 353.451 2.494 20 30 FEEDLO C[C@H](C(=O)N(C)CCC#N)[NH+]1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000246759820 672842263 /nfs/dbraw/zinc/84/22/63/672842263.db2.gz NRENMKFXMHMEBO-RBSFLKMASA-N 1 2 352.479 2.077 20 30 FEEDLO CN(C)S(=O)(=O)c1cccc(C(=O)/C=C\c2cccc3[nH+]ccn32)c1 ZINC000254976242 672881744 /nfs/dbraw/zinc/88/17/44/672881744.db2.gz ZGHPNATYXMFXKY-KTKRTIGZSA-N 1 2 355.419 2.481 20 30 FEEDLO C[C@H](C(=O)N[C@H](c1nccn1C)C1CCOCC1)[NH+]1CCSCC1 ZINC000328998124 673070773 /nfs/dbraw/zinc/07/07/73/673070773.db2.gz GZFNISLKJZNLAH-HIFRSBDPSA-N 1 2 352.504 2.282 20 30 FEEDLO C[C@H](Sc1ccncc1C#N)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000594910630 673178185 /nfs/dbraw/zinc/17/81/85/673178185.db2.gz RITXCPYVDYMJGK-AWEZNQCLSA-N 1 2 353.451 2.178 20 30 FEEDLO C=CCSCCNC(=O)NC[C@H]1CN(C)CC[N@@H+]1Cc1ccccc1 ZINC000595492808 673257574 /nfs/dbraw/zinc/25/75/74/673257574.db2.gz NCGOOAAYDSTQBR-SFHVURJKSA-N 1 2 362.543 2.021 20 30 FEEDLO C=CCSCCNC(=O)NC[C@H]1CN(C)CC[N@H+]1Cc1ccccc1 ZINC000595492808 673257576 /nfs/dbraw/zinc/25/75/76/673257576.db2.gz NCGOOAAYDSTQBR-SFHVURJKSA-N 1 2 362.543 2.021 20 30 FEEDLO N#Cc1sccc1N1CCN(C(=O)[C@H]([NH3+])c2c(F)cccc2F)CC1 ZINC000595938299 673342129 /nfs/dbraw/zinc/34/21/29/673342129.db2.gz NESUNBQHCALHFA-MRXNPFEDSA-N 1 2 362.405 2.247 20 30 FEEDLO C#CCNC(=O)C[N@H+]1CCC[C@H]1c1ccccc1I ZINC000733795985 673438372 /nfs/dbraw/zinc/43/83/72/673438372.db2.gz WTMQERYKQDWUEL-AWEZNQCLSA-N 1 2 368.218 2.178 20 30 FEEDLO C#CCNC(=O)C[N@@H+]1CCC[C@H]1c1ccccc1I ZINC000733795985 673438374 /nfs/dbraw/zinc/43/83/74/673438374.db2.gz WTMQERYKQDWUEL-AWEZNQCLSA-N 1 2 368.218 2.178 20 30 FEEDLO CC1(C)C[N@H+](C[C@@H](O)CC2(C#N)CCOCC2)C[C@H](C(F)(F)F)O1 ZINC000599425376 673674395 /nfs/dbraw/zinc/67/43/95/673674395.db2.gz DLSFSFCAYGBYQE-QWHCGFSZSA-N 1 2 350.381 2.099 20 30 FEEDLO CC1(C)C[N@@H+](C[C@@H](O)CC2(C#N)CCOCC2)C[C@H](C(F)(F)F)O1 ZINC000599425376 673674397 /nfs/dbraw/zinc/67/43/97/673674397.db2.gz DLSFSFCAYGBYQE-QWHCGFSZSA-N 1 2 350.381 2.099 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)N[C@H]2CCn3c[nH+]cc3C2)cc1C(F)(F)F ZINC000601966728 673900440 /nfs/dbraw/zinc/90/04/40/673900440.db2.gz DFBUOJWUEZWSAA-NSHDSACASA-N 1 2 370.356 2.067 20 30 FEEDLO C#C[C@@H](C)NC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000820405292 675360653 /nfs/dbraw/zinc/36/06/53/675360653.db2.gz DMHAFFIOMILKNE-GFCCVEGCSA-N 1 2 365.231 2.472 20 30 FEEDLO N#CCc1cccc(S(=O)(=O)NCc2cc[nH+]c(N3CCCC3)c2)c1 ZINC000619474901 676379124 /nfs/dbraw/zinc/37/91/24/676379124.db2.gz QFZXQQNGTRKJEH-UHFFFAOYSA-N 1 2 356.451 2.226 20 30 FEEDLO C=CCOc1c(Cl)cc(C[NH+]2CCC(S(N)(=O)=O)CC2)cc1OC ZINC000628245401 676795716 /nfs/dbraw/zinc/79/57/16/676795716.db2.gz VSMMXEDYEAGWTQ-UHFFFAOYSA-N 1 2 374.890 2.166 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+]2[C@H](C)CN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]2C)C1=O ZINC000830182395 677029173 /nfs/dbraw/zinc/02/91/73/677029173.db2.gz ADTZZCBATCUBHG-WCVJEAGWSA-N 1 2 351.491 2.492 20 30 FEEDLO C=CCN1CC[C@H]([N@H+]2[C@H](C)CN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]2C)C1=O ZINC000830182395 677029174 /nfs/dbraw/zinc/02/91/74/677029174.db2.gz ADTZZCBATCUBHG-WCVJEAGWSA-N 1 2 351.491 2.492 20 30 FEEDLO CC#CC[NH2+]Cc1cn([C@@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)nn1 ZINC000640839890 677189728 /nfs/dbraw/zinc/18/97/28/677189728.db2.gz VTLBFJQKMJNQJZ-NSHDSACASA-N 1 2 356.455 2.327 20 30 FEEDLO C#CC[N@@H+](CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1)C1CC1 ZINC000763948662 680796398 /nfs/dbraw/zinc/79/63/98/680796398.db2.gz DXLULYJHTFIRGI-UHFFFAOYSA-N 1 2 367.280 2.135 20 30 FEEDLO C#CC[N@H+](CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1)C1CC1 ZINC000763948662 680796399 /nfs/dbraw/zinc/79/63/99/680796399.db2.gz DXLULYJHTFIRGI-UHFFFAOYSA-N 1 2 367.280 2.135 20 30 FEEDLO C=CCn1c([C@@H]2C[N@H+](C)C[C@@H](C)O2)nnc1N(C[C@H](C)OC)C(C)C ZINC000669013257 679215320 /nfs/dbraw/zinc/21/53/20/679215320.db2.gz YCYZONLSSNQODY-XHSDSOJGSA-N 1 2 351.495 2.105 20 30 FEEDLO C=CCn1c([C@@H]2C[N@@H+](C)C[C@@H](C)O2)nnc1N(C[C@H](C)OC)C(C)C ZINC000669013257 679215322 /nfs/dbraw/zinc/21/53/22/679215322.db2.gz YCYZONLSSNQODY-XHSDSOJGSA-N 1 2 351.495 2.105 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CCC[N@@H+](CC(=C)Br)C2 ZINC000982023525 680263689 /nfs/dbraw/zinc/26/36/89/680263689.db2.gz KKUJEIQJVCEGKZ-CABCVRRESA-N 1 2 369.303 2.411 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CCC[N@H+](CC(=C)Br)C2 ZINC000982023525 680263692 /nfs/dbraw/zinc/26/36/92/680263692.db2.gz KKUJEIQJVCEGKZ-CABCVRRESA-N 1 2 369.303 2.411 20 30 FEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+](Cc2cnns2)C1 ZINC001023638020 680268227 /nfs/dbraw/zinc/26/82/27/680268227.db2.gz XEGICFYDBUADOW-XIRDDKMYSA-N 1 2 364.515 2.238 20 30 FEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+](Cc2cnns2)C1 ZINC001023638020 680268230 /nfs/dbraw/zinc/26/82/30/680268230.db2.gz XEGICFYDBUADOW-XIRDDKMYSA-N 1 2 364.515 2.238 20 30 FEEDLO C=C(Br)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001024563066 680295019 /nfs/dbraw/zinc/29/50/19/680295019.db2.gz SBIHYDSOSFLDQQ-RDGWLKQMSA-N 1 2 369.303 2.289 20 30 FEEDLO C=C(Br)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001024563066 680295023 /nfs/dbraw/zinc/29/50/23/680295023.db2.gz SBIHYDSOSFLDQQ-RDGWLKQMSA-N 1 2 369.303 2.289 20 30 FEEDLO C=CCN1C(=S)N=NC1c1sc(NC(=O)C[C@@H]([NH3+])C(F)F)nc1C ZINC000912215580 685332459 /nfs/dbraw/zinc/33/24/59/685332459.db2.gz XDHWFQRQDRFHEO-SSDOTTSWSA-N 1 2 374.442 2.106 20 30 FEEDLO C=C(C)CN(CC)C(=O)[C@H](C)OC(=O)[C@H]([NH2+]C1CCOCC1)C(C)C ZINC000754510284 680360657 /nfs/dbraw/zinc/36/06/57/680360657.db2.gz ODZOVFZUFKNWPY-DOTOQJQBSA-N 1 2 354.491 2.136 20 30 FEEDLO C=C(C)CN(CC)C(=O)[C@@H](C)OC(=O)[C@H]([NH2+]C1CCOCC1)C(C)C ZINC000754510285 680360699 /nfs/dbraw/zinc/36/06/99/680360699.db2.gz ODZOVFZUFKNWPY-NVXWUHKLSA-N 1 2 354.491 2.136 20 30 FEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCO[C@H]1c1ccnn1CC ZINC001027942461 680366157 /nfs/dbraw/zinc/36/61/57/680366157.db2.gz CZXHUZSBTQHRIC-BFYDXBDKSA-N 1 2 366.893 2.314 20 30 FEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCO[C@H]1c1ccnn1CC ZINC001027942461 680366163 /nfs/dbraw/zinc/36/61/63/680366163.db2.gz CZXHUZSBTQHRIC-BFYDXBDKSA-N 1 2 366.893 2.314 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1C[NH+](Cc2cc(Cl)ccc2OC)C1 ZINC001031988696 680410532 /nfs/dbraw/zinc/41/05/32/680410532.db2.gz KWTBQXKPMGVGEP-SJORKVTESA-N 1 2 364.873 2.488 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2c(C)nn(C)c2Cl)C1 ZINC001033432643 680423233 /nfs/dbraw/zinc/42/32/33/680423233.db2.gz QBJUVJQKUISVGW-LZWOXQAQSA-N 1 2 366.893 2.006 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2c(C)nn(C)c2Cl)C1 ZINC001033432643 680423236 /nfs/dbraw/zinc/42/32/36/680423236.db2.gz QBJUVJQKUISVGW-LZWOXQAQSA-N 1 2 366.893 2.006 20 30 FEEDLO C=C(Br)C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001034315178 680433329 /nfs/dbraw/zinc/43/33/29/680433329.db2.gz DJNTWASFNNHKCB-RDGWLKQMSA-N 1 2 369.303 2.289 20 30 FEEDLO C=C(Br)C[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001034315178 680433332 /nfs/dbraw/zinc/43/33/32/680433332.db2.gz DJNTWASFNNHKCB-RDGWLKQMSA-N 1 2 369.303 2.289 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([N@@H+](C)[C@@H](C)c2csnn2)CC1 ZINC000985662449 680467896 /nfs/dbraw/zinc/46/78/96/680467896.db2.gz WGQCBGVLJOXAEV-BJJXKVORSA-N 1 2 350.488 2.113 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([N@H+](C)[C@@H](C)c2csnn2)CC1 ZINC000985662449 680467898 /nfs/dbraw/zinc/46/78/98/680467898.db2.gz WGQCBGVLJOXAEV-BJJXKVORSA-N 1 2 350.488 2.113 20 30 FEEDLO Cc1nsc(N[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)[C@H]2C)c1C#N ZINC001040279630 680470487 /nfs/dbraw/zinc/47/04/87/680470487.db2.gz XHOYQQVYLRKBIQ-SFTQSGBHSA-N 1 2 356.455 2.251 20 30 FEEDLO Cc1nsc(N[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)[C@H]2C)c1C#N ZINC001040279630 680470489 /nfs/dbraw/zinc/47/04/89/680470489.db2.gz XHOYQQVYLRKBIQ-SFTQSGBHSA-N 1 2 356.455 2.251 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1CC[NH+](Cc2nnc(C)s2)CC1 ZINC001001930492 680482435 /nfs/dbraw/zinc/48/24/35/680482435.db2.gz GTQFJTMFEODQLD-RDJZCZTQSA-N 1 2 364.515 2.156 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC1CC[NH+](Cc2csnc2OC)CC1 ZINC001002846773 680510205 /nfs/dbraw/zinc/51/02/05/680510205.db2.gz LYPRSVQBPZKTJA-CVEARBPZSA-N 1 2 365.499 2.214 20 30 FEEDLO C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1Nc1snc(Cl)c1C#N ZINC001043580377 680588835 /nfs/dbraw/zinc/58/88/35/680588835.db2.gz UEYCHVAGJQVLLU-BXKDBHETSA-N 1 2 364.862 2.283 20 30 FEEDLO C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1Nc1snc(Cl)c1C#N ZINC001043580377 680588839 /nfs/dbraw/zinc/58/88/39/680588839.db2.gz UEYCHVAGJQVLLU-BXKDBHETSA-N 1 2 364.862 2.283 20 30 FEEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001008158855 680663353 /nfs/dbraw/zinc/66/33/53/680663353.db2.gz DAWACYGSBKRWEA-UGSOOPFHSA-N 1 2 364.877 2.228 20 30 FEEDLO CC(C)CN(CC(F)(F)F)C(=O)C[NH+]1CCC2(CC1)CC(=O)C=CO2 ZINC000933651728 681445773 /nfs/dbraw/zinc/44/57/73/681445773.db2.gz ONMKXVKLFNIXMW-UHFFFAOYSA-N 1 2 362.392 2.371 20 30 FEEDLO C[C@@H]1CSCCC[N@@H+]1CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000934300378 681547264 /nfs/dbraw/zinc/54/72/64/681547264.db2.gz CTRGZRHAWLRXJP-OCCSQVGLSA-N 1 2 356.451 2.339 20 30 FEEDLO C[C@@H]1CSCCC[N@H+]1CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000934300378 681547266 /nfs/dbraw/zinc/54/72/66/681547266.db2.gz CTRGZRHAWLRXJP-OCCSQVGLSA-N 1 2 356.451 2.339 20 30 FEEDLO CC(C)(C)n1nnc(CO[NH+]=C(N)c2ccc(Br)cc2)n1 ZINC000848511161 681568075 /nfs/dbraw/zinc/56/80/75/681568075.db2.gz KOIDSYFSMUJFID-UHFFFAOYSA-N 1 2 353.224 2.028 20 30 FEEDLO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CC[C@H](O)[C@@H](F)C3)sc2C1 ZINC000934578329 681596002 /nfs/dbraw/zinc/59/60/02/681596002.db2.gz SHMYITQCPZJDFF-UGFHNGPFSA-N 1 2 365.474 2.478 20 30 FEEDLO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CC[C@H](O)[C@@H](F)C3)sc2C1 ZINC000934578329 681596004 /nfs/dbraw/zinc/59/60/04/681596004.db2.gz SHMYITQCPZJDFF-UGFHNGPFSA-N 1 2 365.474 2.478 20 30 FEEDLO N#Cc1ccc(CNC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)nc1 ZINC000782030622 682000096 /nfs/dbraw/zinc/00/00/96/682000096.db2.gz SRFCMMZLDJZMBP-SFHVURJKSA-N 1 2 352.463 2.360 20 30 FEEDLO C=C(Br)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1OCC[C@H]1C(C)C ZINC000959924476 682010109 /nfs/dbraw/zinc/01/01/09/682010109.db2.gz MBEOZVRUELUQON-AHDPXTMNSA-N 1 2 357.292 2.003 20 30 FEEDLO C=C(Br)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1OCC[C@H]1C(C)C ZINC000959924476 682010114 /nfs/dbraw/zinc/01/01/14/682010114.db2.gz MBEOZVRUELUQON-AHDPXTMNSA-N 1 2 357.292 2.003 20 30 FEEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)[C@]23C[C@H]2COC3)C(C)(C)C1 ZINC000940759662 682080608 /nfs/dbraw/zinc/08/06/08/682080608.db2.gz LAFWVTYOOKASOQ-XEZPLFJOSA-N 1 2 357.292 2.148 20 30 FEEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)[C@]23C[C@H]2COC3)C(C)(C)C1 ZINC000940759662 682080612 /nfs/dbraw/zinc/08/06/12/682080612.db2.gz LAFWVTYOOKASOQ-XEZPLFJOSA-N 1 2 357.292 2.148 20 30 FEEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](N3CCOC3=O)C2)c(Br)c1 ZINC000852436798 682278402 /nfs/dbraw/zinc/27/84/02/682278402.db2.gz NPWJQPINLSFWKA-CYBMUJFWSA-N 1 2 350.216 2.347 20 30 FEEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](N3CCOC3=O)C2)c(Br)c1 ZINC000852436798 682278405 /nfs/dbraw/zinc/27/84/05/682278405.db2.gz NPWJQPINLSFWKA-CYBMUJFWSA-N 1 2 350.216 2.347 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CC(=C)Br)C1 ZINC000971555862 682359313 /nfs/dbraw/zinc/35/93/13/682359313.db2.gz LOAJFDSXJPHHJO-ZNMIVQPWSA-N 1 2 357.292 2.409 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CC(=C)Br)C1 ZINC000971555862 682359321 /nfs/dbraw/zinc/35/93/21/682359321.db2.gz LOAJFDSXJPHHJO-ZNMIVQPWSA-N 1 2 357.292 2.409 20 30 FEEDLO C#CCC[N@@H+](CCOC)Cn1c2cc(F)c(Br)cc2oc1=O ZINC000853621233 682446572 /nfs/dbraw/zinc/44/65/72/682446572.db2.gz VBYXADAKZHTDMV-UHFFFAOYSA-N 1 2 371.206 2.425 20 30 FEEDLO C#CCC[N@H+](CCOC)Cn1c2cc(F)c(Br)cc2oc1=O ZINC000853621233 682446575 /nfs/dbraw/zinc/44/65/75/682446575.db2.gz VBYXADAKZHTDMV-UHFFFAOYSA-N 1 2 371.206 2.425 20 30 FEEDLO CC[C@H]([NH2+]CC1CCN(S(=O)(=O)CC)CC1)c1cccc(C#N)c1O ZINC000926160097 683084873 /nfs/dbraw/zinc/08/48/73/683084873.db2.gz NLSGJFBODJOYBA-KRWDZBQOSA-N 1 2 365.499 2.366 20 30 FEEDLO CC(C)NC(=O)OC[C@@H]1CCCC[N@@H+]1CC(=O)N[C@@](C)(C#N)C(C)C ZINC000796706063 683188107 /nfs/dbraw/zinc/18/81/07/683188107.db2.gz VEAPSFQAXULNNE-YJBOKZPZSA-N 1 2 352.479 2.030 20 30 FEEDLO CC(C)NC(=O)OC[C@@H]1CCCC[N@H+]1CC(=O)N[C@@](C)(C#N)C(C)C ZINC000796706063 683188110 /nfs/dbraw/zinc/18/81/10/683188110.db2.gz VEAPSFQAXULNNE-YJBOKZPZSA-N 1 2 352.479 2.030 20 30 FEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(Cl)c(CN2CCOCC2)c1 ZINC000797699584 683265422 /nfs/dbraw/zinc/26/54/22/683265422.db2.gz AULCFDPHUQLKBH-SFHVURJKSA-N 1 2 361.873 2.208 20 30 FEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(Cl)c(CN2CCOCC2)c1 ZINC000797699584 683265428 /nfs/dbraw/zinc/26/54/28/683265428.db2.gz AULCFDPHUQLKBH-SFHVURJKSA-N 1 2 361.873 2.208 20 30 FEEDLO Cn1cc(C[NH+]2CCN(c3cc(C(F)(F)F)cc(C#N)n3)CC2)cn1 ZINC000865522312 683993008 /nfs/dbraw/zinc/99/30/08/683993008.db2.gz NXNISXLAIULVNV-UHFFFAOYSA-N 1 2 350.348 2.028 20 30 FEEDLO COC1(OC)CCOC[C@H]1[NH2+]Cc1cc(C#N)ccc1Br ZINC000931673772 684326478 /nfs/dbraw/zinc/32/64/78/684326478.db2.gz BDNZSYNCQFSHFZ-CQSZACIVSA-N 1 2 355.232 2.188 20 30 FEEDLO COC1(OC)CCOC[C@@H]1[NH2+]Cc1ccc(Br)cc1C#N ZINC000931675437 684326940 /nfs/dbraw/zinc/32/69/40/684326940.db2.gz OHLWWXYRDDVABM-AWEZNQCLSA-N 1 2 355.232 2.188 20 30 FEEDLO N#Cc1cnc(Cl)c(C[NH+]2CCC(C(=O)NCC(F)(F)F)CC2)c1 ZINC000876611634 686228667 /nfs/dbraw/zinc/22/86/67/686228667.db2.gz MSVYPABTOVDATO-UHFFFAOYSA-N 1 2 360.767 2.497 20 30 FEEDLO C#CCC1(O)CC[NH+](CC(=O)N(CC)c2nc3ccccc3s2)CC1 ZINC000880481594 687052709 /nfs/dbraw/zinc/05/27/09/687052709.db2.gz LHTYNPIDZHCLRH-UHFFFAOYSA-N 1 2 357.479 2.499 20 30 FEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H](C)c1nc(-c2ccccc2)cs1 ZINC000884130232 687795753 /nfs/dbraw/zinc/79/57/53/687795753.db2.gz DWRAMWVUJUCVTJ-OCCSQVGLSA-N 1 2 359.451 2.434 20 30 FEEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)C2CCC(C(F)(F)F)CC2)C1 ZINC000885508358 688087483 /nfs/dbraw/zinc/08/74/83/688087483.db2.gz GNUTWIXKEGYGDC-MOKVOYLWSA-N 1 2 352.422 2.125 20 30 FEEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)C2CCC(C(F)(F)F)CC2)C1 ZINC000885508358 688087486 /nfs/dbraw/zinc/08/74/86/688087486.db2.gz GNUTWIXKEGYGDC-MOKVOYLWSA-N 1 2 352.422 2.125 20 30 FEEDLO C=CCC1(O)CC[NH+](CC(=O)Nc2nnc(-c3sccc3C)o2)CC1 ZINC000886776316 688308734 /nfs/dbraw/zinc/30/87/34/688308734.db2.gz CJYFBEGTIJCBMK-UHFFFAOYSA-N 1 2 362.455 2.448 20 30 FEEDLO O=C1[C@@H]([NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)CCCN1O ZINC000895164429 689669940 /nfs/dbraw/zinc/66/99/40/689669940.db2.gz GHTIPFVGGPUPER-LBPRGKRZSA-N 1 2 365.231 2.309 20 30 FEEDLO Cc1nsc(C)c1CON=C(N)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000902224953 690749859 /nfs/dbraw/zinc/74/98/59/690749859.db2.gz BIVVVTKBFBIRIM-UHFFFAOYSA-N 1 2 360.483 2.429 20 30 FEEDLO C[N@H+](CCC#N)C[C@@H](O)COc1ccc2c(c1)oc(=O)cc2C(F)F ZINC000905983543 691205647 /nfs/dbraw/zinc/20/56/47/691205647.db2.gz XNNRMKGRDKLNSY-LLVKDONJSA-N 1 2 352.337 2.316 20 30 FEEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1ccc2c(c1)oc(=O)cc2C(F)F ZINC000905983543 691205649 /nfs/dbraw/zinc/20/56/49/691205649.db2.gz XNNRMKGRDKLNSY-LLVKDONJSA-N 1 2 352.337 2.316 20 30 FEEDLO C#Cc1ccc(S(=O)(=O)NCc2cc[nH+]c(N3CCSCC3)c2)cc1 ZINC000907317470 691450714 /nfs/dbraw/zinc/45/07/14/691450714.db2.gz URBJNXVNHGGWGS-UHFFFAOYSA-N 1 2 373.503 2.095 20 30 FEEDLO CCC(=O)N1CCC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)CC1 ZINC000077389540 210213253 /nfs/dbraw/zinc/21/32/53/210213253.db2.gz PFIZWQGLCDDOCB-QGZVFWFLSA-N 1 2 356.470 2.266 20 30 FEEDLO CCC(=O)N1CCC[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)CC1 ZINC000077389540 210213255 /nfs/dbraw/zinc/21/32/55/210213255.db2.gz PFIZWQGLCDDOCB-QGZVFWFLSA-N 1 2 356.470 2.266 20 30 FEEDLO N#Cc1ccsc1NC(=O)C[NH+]1CCC(NC(=O)c2ccccc2)CC1 ZINC000011097248 539524653 /nfs/dbraw/zinc/52/46/53/539524653.db2.gz KZIUMXTZGKHDAR-UHFFFAOYSA-N 1 2 368.462 2.453 20 30 FEEDLO C=CCn1c(=O)c2ccc(C(=O)NCC(C)(C)C[NH+](C)C)cc2[nH]c1=S ZINC000055174778 210068669 /nfs/dbraw/zinc/06/86/69/210068669.db2.gz LETVQZDAJRABTE-UHFFFAOYSA-N 1 2 374.510 2.189 20 30 FEEDLO N#Cc1ccc(CN2CC[NH+](CC(=O)NCc3ccccc3)CC2)c(F)c1 ZINC000022803370 539699605 /nfs/dbraw/zinc/69/96/05/539699605.db2.gz AEMCEFPRUJLDRE-UHFFFAOYSA-N 1 2 366.440 2.131 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(CC(=O)NCC3CCCCC3)CC2)cc1 ZINC000023257778 539710650 /nfs/dbraw/zinc/71/06/50/539710650.db2.gz NMIIGWOQDDXSGJ-UHFFFAOYSA-N 1 2 354.498 2.372 20 30 FEEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccc4[nH]nnc4c3)CC2)cc1 ZINC000023451046 539715073 /nfs/dbraw/zinc/71/50/73/539715073.db2.gz CCXGTTZVSBRTCU-UHFFFAOYSA-N 1 2 360.421 2.178 20 30 FEEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc4[nH]nnc4c3)CC2)cc1 ZINC000023451046 539715076 /nfs/dbraw/zinc/71/50/76/539715076.db2.gz CCXGTTZVSBRTCU-UHFFFAOYSA-N 1 2 360.421 2.178 20 30 FEEDLO Cc1cccc(OC[C@@H](O)CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000025226491 539751859 /nfs/dbraw/zinc/75/18/59/539751859.db2.gz BNTKWMLRFVLJDG-NRFANRHFSA-N 1 2 365.477 2.424 20 30 FEEDLO N#Cc1ccc(OC[C@@H](O)C[NH+]2CCN(Cc3cccs3)CC2)cc1 ZINC000025232209 539751902 /nfs/dbraw/zinc/75/19/02/539751902.db2.gz GOYLLCLXRFSCMG-KRWDZBQOSA-N 1 2 357.479 2.177 20 30 FEEDLO N#CCc1ccc(OC[C@@H](O)C[NH+]2CCN(Cc3cccs3)CC2)cc1 ZINC000025232303 539752212 /nfs/dbraw/zinc/75/22/12/539752212.db2.gz OIYMCAZAPQBMAN-SFHVURJKSA-N 1 2 371.506 2.372 20 30 FEEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C)CC1 ZINC000800728768 674072379 /nfs/dbraw/zinc/07/23/79/674072379.db2.gz BWSJTDFSXBIDCQ-CQSZACIVSA-N 1 2 359.861 2.364 20 30 FEEDLO Cc1cc(NC(=O)C2CC[NH+](CC(=O)Nc3sccc3C#N)CC2)no1 ZINC000028752629 539836698 /nfs/dbraw/zinc/83/66/98/539836698.db2.gz NDPMUPRFQGSILJ-UHFFFAOYSA-N 1 2 373.438 2.205 20 30 FEEDLO CC(C)(C)CC(=O)N1CC[NH+](C[C@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000028921996 539839825 /nfs/dbraw/zinc/83/98/25/539839825.db2.gz DKSONUUHRCWUQZ-SFHVURJKSA-N 1 2 373.497 2.073 20 30 FEEDLO C[C@H](Oc1ccccc1C#N)C(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000029764485 539863939 /nfs/dbraw/zinc/86/39/39/539863939.db2.gz GWGOLHLNFPQENZ-INIZCTEOSA-N 1 2 350.422 2.065 20 30 FEEDLO Cc1oc(NC(=O)[C@H](C)[NH+]2CCC(NC(=O)C3CC3)CC2)c(C#N)c1C ZINC000030285332 539877378 /nfs/dbraw/zinc/87/73/78/539877378.db2.gz QXELPEPSZRNXSB-LBPRGKRZSA-N 1 2 358.442 2.086 20 30 FEEDLO Cc1cccc(C[NH+]2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 ZINC000031294724 539904331 /nfs/dbraw/zinc/90/43/31/539904331.db2.gz ULIFMULQBDPNMI-UHFFFAOYSA-N 1 2 355.463 2.373 20 30 FEEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)c2cc(C)n([C@H]3CCOC3)c2C)c1C#N ZINC000530262191 539923014 /nfs/dbraw/zinc/92/30/14/539923014.db2.gz XVEOCWVVWWWAFR-AWEZNQCLSA-N 1 2 370.457 2.065 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3ccc(C(N)=O)cc3)CC2)cc1 ZINC000043713910 540107562 /nfs/dbraw/zinc/10/75/62/540107562.db2.gz KGMBUOFVUBWFMW-UHFFFAOYSA-N 1 2 363.421 2.007 20 30 FEEDLO C[C@H]1CN(c2ccc(CNC(=O)c3cccc(CC#N)c3)c[nH+]2)CCO1 ZINC000044553122 540130397 /nfs/dbraw/zinc/13/03/97/540130397.db2.gz CCEUBNMXOYMNIM-HNNXBMFYSA-N 1 2 350.422 2.303 20 30 FEEDLO Cn1c2nnc(C[N@H+](C)Cc3ccc(C#N)cc3)n2c2ccccc2c1=O ZINC000046527473 540260895 /nfs/dbraw/zinc/26/08/95/540260895.db2.gz PJWSXWWWEICNLW-UHFFFAOYSA-N 1 2 358.405 2.085 20 30 FEEDLO Cn1c2nnc(C[N@@H+](C)Cc3ccc(C#N)cc3)n2c2ccccc2c1=O ZINC000046527473 540260899 /nfs/dbraw/zinc/26/08/99/540260899.db2.gz PJWSXWWWEICNLW-UHFFFAOYSA-N 1 2 358.405 2.085 20 30 FEEDLO N#CCOc1cccc(NC(=O)N2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000048515182 540365133 /nfs/dbraw/zinc/36/51/33/540365133.db2.gz VFBGJUODRRMJQF-UHFFFAOYSA-N 1 2 351.410 2.334 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ccc(NC4CC4)nc3)CC2)cc1 ZINC000049973635 540396207 /nfs/dbraw/zinc/39/62/07/540396207.db2.gz ALMYTNOFZYMUAS-UHFFFAOYSA-N 1 2 361.449 2.486 20 30 FEEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN(Cc2ccc(Br)s2)CC1 ZINC000052659977 540480249 /nfs/dbraw/zinc/48/02/49/540480249.db2.gz VHNZAXKWWHLTGQ-GFCCVEGCSA-N 1 2 372.332 2.319 20 30 FEEDLO CCCn1nccc1NC(=O)C[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000052801617 540489630 /nfs/dbraw/zinc/48/96/30/540489630.db2.gz NABNAQUMQBDUIO-UHFFFAOYSA-N 1 2 366.469 2.316 20 30 FEEDLO CCCn1nccc1NC(=O)C[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000052801617 540489632 /nfs/dbraw/zinc/48/96/32/540489632.db2.gz NABNAQUMQBDUIO-UHFFFAOYSA-N 1 2 366.469 2.316 20 30 FEEDLO C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCN(c2nc3ccccc3s2)CC1 ZINC000057594835 540803577 /nfs/dbraw/zinc/80/35/77/540803577.db2.gz STSWYVXNOBZSKZ-AWEZNQCLSA-N 1 2 357.483 2.179 20 30 FEEDLO Cc1ccc(C#N)cc1NC(=O)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000057677540 540807077 /nfs/dbraw/zinc/80/70/77/540807077.db2.gz ZODMFFPTCFLSHT-UHFFFAOYSA-N 1 2 359.389 2.307 20 30 FEEDLO CN(C(=O)C[N@@H+]1CCCN(CC(F)(F)F)CC1)C1(C#N)CCCCC1 ZINC000058578229 540850274 /nfs/dbraw/zinc/85/02/74/540850274.db2.gz HNDFHGMIKHASFD-UHFFFAOYSA-N 1 2 360.424 2.241 20 30 FEEDLO CN(C(=O)C[N@H+]1CCCN(CC(F)(F)F)CC1)C1(C#N)CCCCC1 ZINC000058578229 540850280 /nfs/dbraw/zinc/85/02/80/540850280.db2.gz HNDFHGMIKHASFD-UHFFFAOYSA-N 1 2 360.424 2.241 20 30 FEEDLO CCCCCNC(=O)CO[NH+]=C(N)c1cc(Cl)c(OC)c(OC)c1 ZINC000063458133 541168826 /nfs/dbraw/zinc/16/88/26/541168826.db2.gz FMCJMJSSMZJBOB-UHFFFAOYSA-N 1 2 357.838 2.301 20 30 FEEDLO CSc1[nH]c(=O)c(C(=O)NCC[N@H+](C)Cc2ccccc2)cc1C#N ZINC000065418271 541237015 /nfs/dbraw/zinc/23/70/15/541237015.db2.gz FHWQWDBZTGWJIT-UHFFFAOYSA-N 1 2 356.451 2.243 20 30 FEEDLO CSc1[nH]c(=O)c(C(=O)NCC[N@@H+](C)Cc2ccccc2)cc1C#N ZINC000065418271 541237018 /nfs/dbraw/zinc/23/70/18/541237018.db2.gz FHWQWDBZTGWJIT-UHFFFAOYSA-N 1 2 356.451 2.243 20 30 FEEDLO Cc1noc(C)c1C[NH+]1CCN([C@H](C)C(=O)NC2(C#N)CCCCC2)CC1 ZINC000065681440 541252228 /nfs/dbraw/zinc/25/22/28/541252228.db2.gz OJLSYULSSORBCP-MRXNPFEDSA-N 1 2 373.501 2.140 20 30 FEEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 ZINC000541924221 541299234 /nfs/dbraw/zinc/29/92/34/541299234.db2.gz CLVWDKFQOVCPBB-GFCCVEGCSA-N 1 2 353.361 2.290 20 30 FEEDLO Cn1ncc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1C(F)F ZINC000066593110 541342864 /nfs/dbraw/zinc/34/28/64/541342864.db2.gz VZLFRIZJZNTXPP-UHFFFAOYSA-N 1 2 359.380 2.187 20 30 FEEDLO Cn1cc[nH+]c1[C@H](NS(=O)(=O)CCCCC#N)c1cccc(F)c1 ZINC000068874814 541635897 /nfs/dbraw/zinc/63/58/97/541635897.db2.gz JKJCFBOJMOHQFD-OAHLLOKOSA-N 1 2 350.419 2.262 20 30 FEEDLO CC(C)[N@H+](CC(=O)Nc1ccc(F)cc1)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000072956695 541896593 /nfs/dbraw/zinc/89/65/93/541896593.db2.gz CAFPMKWTMSHYCE-IBGZPJMESA-N 1 2 360.433 2.283 20 30 FEEDLO CC(C)[N@@H+](CC(=O)Nc1ccc(F)cc1)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000072956695 541896595 /nfs/dbraw/zinc/89/65/95/541896595.db2.gz CAFPMKWTMSHYCE-IBGZPJMESA-N 1 2 360.433 2.283 20 30 FEEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)c2cc(Cl)cc3c2OCC3)c1C#N ZINC000545204148 541902634 /nfs/dbraw/zinc/90/26/34/541902634.db2.gz QMGOOHMUPTWVNR-UHFFFAOYSA-N 1 2 359.817 2.274 20 30 FEEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN(C(=O)Cc2ccccc2)CC1 ZINC000076199562 542243179 /nfs/dbraw/zinc/24/31/79/542243179.db2.gz NHDAISTXJXBKBR-SFHVURJKSA-N 1 2 357.498 2.186 20 30 FEEDLO N#CCCn1cc(C(=O)C[NH+]2CCC(CC(N)=O)CC2)c2ccccc21 ZINC000077168517 542350112 /nfs/dbraw/zinc/35/01/12/542350112.db2.gz GOWPCFFCRRNRNR-UHFFFAOYSA-N 1 2 352.438 2.325 20 30 FEEDLO CC[C@@H](c1nnc(SCCCC#N)n1CCN1CCOCC1)[NH+](C)C ZINC000078249385 542449271 /nfs/dbraw/zinc/44/92/71/542449271.db2.gz GOSJHCOVBMELQZ-HNNXBMFYSA-N 1 2 366.535 2.019 20 30 FEEDLO C=CC[NH+](CC=C)CC(=O)Nc1cccc(S(=O)(=O)N(CC)CC)c1 ZINC000078316595 542454510 /nfs/dbraw/zinc/45/45/10/542454510.db2.gz GMSNOKGPYORVQD-UHFFFAOYSA-N 1 2 365.499 2.330 20 30 FEEDLO COc1cccc(N2CC[NH+](CC(=O)NC3(C#N)CCCCC3)CC2)c1 ZINC000078797897 542481636 /nfs/dbraw/zinc/48/16/36/542481636.db2.gz RZVBTYLJVBVGBB-UHFFFAOYSA-N 1 2 356.470 2.160 20 30 FEEDLO CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000079850557 542545016 /nfs/dbraw/zinc/54/50/16/542545016.db2.gz SJKQKHZZDLOIIJ-MRXNPFEDSA-N 1 2 362.905 2.466 20 30 FEEDLO CCN(C[C@H](C)C#N)C(=O)CN1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000079850557 542545019 /nfs/dbraw/zinc/54/50/19/542545019.db2.gz SJKQKHZZDLOIIJ-MRXNPFEDSA-N 1 2 362.905 2.466 20 30 FEEDLO N#CCC[N@@H+](CC(=O)NCc1ccccc1CN1CCCC1=O)CC1CC1 ZINC000081045082 542627771 /nfs/dbraw/zinc/62/77/71/542627771.db2.gz YUNSPZNMFZCFBP-UHFFFAOYSA-N 1 2 368.481 2.051 20 30 FEEDLO N#CCC[N@H+](CC(=O)NCc1ccccc1CN1CCCC1=O)CC1CC1 ZINC000081045082 542627774 /nfs/dbraw/zinc/62/77/74/542627774.db2.gz YUNSPZNMFZCFBP-UHFFFAOYSA-N 1 2 368.481 2.051 20 30 FEEDLO COc1cccc([C@@H](C)CC(=O)N(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000084590553 542717435 /nfs/dbraw/zinc/71/74/35/542717435.db2.gz SOEOGMLHPNYUQC-KRWDZBQOSA-N 1 2 359.470 2.263 20 30 FEEDLO COc1ccc(CC(N)=[NH+]OCC(=O)Nc2ccnn2C2CCCC2)cc1 ZINC000085261003 542724614 /nfs/dbraw/zinc/72/46/14/542724614.db2.gz PLFUKTFGJIMNFV-UHFFFAOYSA-N 1 2 371.441 2.477 20 30 FEEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CCCN(Cc3noc(C)n3)CC2)c1C ZINC000106147990 543208499 /nfs/dbraw/zinc/20/84/99/543208499.db2.gz BZWXHGWUIGMWOL-UHFFFAOYSA-N 1 2 371.485 2.373 20 30 FEEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CCCN(Cc3noc(C)n3)CC2)c1C ZINC000106147990 543208501 /nfs/dbraw/zinc/20/85/01/543208501.db2.gz BZWXHGWUIGMWOL-UHFFFAOYSA-N 1 2 371.485 2.373 20 30 FEEDLO N#CC1(C(=O)N[C@@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)CCOCC1 ZINC000110981301 543377049 /nfs/dbraw/zinc/37/70/49/543377049.db2.gz WAKNEBOPDMSBTM-CQSZACIVSA-N 1 2 363.408 2.366 20 30 FEEDLO N#CC1(C(=O)N[C@@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)CCOCC1 ZINC000110981301 543377051 /nfs/dbraw/zinc/37/70/51/543377051.db2.gz WAKNEBOPDMSBTM-CQSZACIVSA-N 1 2 363.408 2.366 20 30 FEEDLO CCCCN(C)C(=O)C1CC[NH+]([C@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000115536513 543571932 /nfs/dbraw/zinc/57/19/32/543571932.db2.gz BIVGRVSQUPROJY-SFHVURJKSA-N 1 2 356.470 2.055 20 30 FEEDLO COc1ccc(C[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)cc1OC(F)F ZINC000115596804 543576856 /nfs/dbraw/zinc/57/68/56/543576856.db2.gz ZXCDAKYABPPUOR-INIZCTEOSA-N 1 2 361.348 2.484 20 30 FEEDLO C[C@H]([NH2+][C@@H](C)c1nnnn1-c1ccccc1)C(=O)Nc1cccc(C#N)c1 ZINC000115604952 543578523 /nfs/dbraw/zinc/57/85/23/543578523.db2.gz JOXJFPSBPAWPRH-KBPBESRZSA-N 1 2 361.409 2.212 20 30 FEEDLO CCN(C(=O)C[NH+]1CCN(c2ccc(C#N)cn2)CC1)C1CCCCC1 ZINC000115674841 543581175 /nfs/dbraw/zinc/58/11/75/543581175.db2.gz AARLZCYZHSQTQJ-UHFFFAOYSA-N 1 2 355.486 2.256 20 30 FEEDLO N#C[C@H](c1ccccc1)N1CC[NH+](CC(=O)N2CCc3ccccc3C2)CC1 ZINC000121536135 543696350 /nfs/dbraw/zinc/69/63/50/543696350.db2.gz PEICNCJKKSRXIJ-JOCHJYFZSA-N 1 2 374.488 2.454 20 30 FEEDLO C=CCCS(=O)(=O)N[C@H](CC)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000121634587 543697760 /nfs/dbraw/zinc/69/77/60/543697760.db2.gz ZOLOAHSOKRUBDY-MSOLQXFVSA-N 1 2 352.500 2.162 20 30 FEEDLO C=CCCS(=O)(=O)N[C@H](CC)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000121634587 543697762 /nfs/dbraw/zinc/69/77/62/543697762.db2.gz ZOLOAHSOKRUBDY-MSOLQXFVSA-N 1 2 352.500 2.162 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Cc1c[nH]c2ccc(Cl)cc12 ZINC000120364023 543678868 /nfs/dbraw/zinc/67/88/68/543678868.db2.gz TUBUBHJFXYAIQQ-UHFFFAOYSA-N 1 2 374.872 2.438 20 30 FEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](CC)[C@H]1CCN(c2ccccc2)C1=O ZINC000247487402 549342939 /nfs/dbraw/zinc/34/29/39/549342939.db2.gz GKIPCXCEVFJFGJ-WMZOPIPTSA-N 1 2 356.470 2.122 20 30 FEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](CC)[C@H]1CCN(c2ccccc2)C1=O ZINC000247487402 549342943 /nfs/dbraw/zinc/34/29/43/549342943.db2.gz GKIPCXCEVFJFGJ-WMZOPIPTSA-N 1 2 356.470 2.122 20 30 FEEDLO CC[C@@H](C)NC(=O)CN1CC[NH+](Cc2cccc(OCCCC#N)c2)CC1 ZINC000129091388 544090015 /nfs/dbraw/zinc/09/00/15/544090015.db2.gz RYKWEGSWSHQRLV-GOSISDBHSA-N 1 2 372.513 2.401 20 30 FEEDLO C=CCOc1ccc(C[NH+]2CCN(c3nccc(OC)n3)CC2)cc1OC ZINC000129594612 544119585 /nfs/dbraw/zinc/11/95/85/544119585.db2.gz KZRCQHUZTPZULP-UHFFFAOYSA-N 1 2 370.453 2.381 20 30 FEEDLO Cc1nnc([C@H]2Cc3ccccc3C[N@H+]2CCC(=O)N(C)CCC#N)o1 ZINC000131206151 544180518 /nfs/dbraw/zinc/18/05/18/544180518.db2.gz PEWFKCRXFGDSIL-QGZVFWFLSA-N 1 2 353.426 2.240 20 30 FEEDLO Cc1nnc([C@H]2Cc3ccccc3C[N@@H+]2CCC(=O)N(C)CCC#N)o1 ZINC000131206151 544180519 /nfs/dbraw/zinc/18/05/19/544180519.db2.gz PEWFKCRXFGDSIL-QGZVFWFLSA-N 1 2 353.426 2.240 20 30 FEEDLO COC(=O)c1cc(C[NH+]2CCN(c3ncccc3C#N)CC2)c(C)s1 ZINC000132569459 544236334 /nfs/dbraw/zinc/23/63/34/544236334.db2.gz SGYOLLAHVSKLFF-UHFFFAOYSA-N 1 2 356.451 2.432 20 30 FEEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@@H]3CCCc4[nH]ncc43)CC2)cc1 ZINC000132568822 544236380 /nfs/dbraw/zinc/23/63/80/544236380.db2.gz XBNXDZYRMGUUDO-GOSISDBHSA-N 1 2 363.465 2.436 20 30 FEEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]3CCCc4[nH]ncc43)CC2)cc1 ZINC000132568822 544236382 /nfs/dbraw/zinc/23/63/82/544236382.db2.gz XBNXDZYRMGUUDO-GOSISDBHSA-N 1 2 363.465 2.436 20 30 FEEDLO CN(C)C(=O)N1CC[NH+](Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000133544064 544274619 /nfs/dbraw/zinc/27/46/19/544274619.db2.gz XMBUYILPLCCDQT-UHFFFAOYSA-N 1 2 366.469 2.263 20 30 FEEDLO C=CCNC(=O)NC(=O)C[NH2+][C@H](c1cccc(Cl)c1)c1ccccn1 ZINC000133771063 544282847 /nfs/dbraw/zinc/28/28/47/544282847.db2.gz OLEZFOWMQLOGML-QGZVFWFLSA-N 1 2 358.829 2.426 20 30 FEEDLO C=C(C)COCCNC(=O)NC[C@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000135008407 544331242 /nfs/dbraw/zinc/33/12/42/544331242.db2.gz GKPADBFDWRTDOA-LJQANCHMSA-N 1 2 361.486 2.260 20 30 FEEDLO C=CC[N@@H+](CC(=O)Nc1ccc(C)c(S(N)(=O)=O)c1)Cc1ccccc1 ZINC000135048306 544332336 /nfs/dbraw/zinc/33/23/36/544332336.db2.gz BLDUSGMHEDMUCG-UHFFFAOYSA-N 1 2 373.478 2.269 20 30 FEEDLO C=CC[N@H+](CC(=O)Nc1ccc(C)c(S(N)(=O)=O)c1)Cc1ccccc1 ZINC000135048306 544332339 /nfs/dbraw/zinc/33/23/39/544332339.db2.gz BLDUSGMHEDMUCG-UHFFFAOYSA-N 1 2 373.478 2.269 20 30 FEEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000139075964 544399640 /nfs/dbraw/zinc/39/96/40/544399640.db2.gz GYLZMUPGLFHXCF-HNNXBMFYSA-N 1 2 374.510 2.393 20 30 FEEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000139075964 544399642 /nfs/dbraw/zinc/39/96/42/544399642.db2.gz GYLZMUPGLFHXCF-HNNXBMFYSA-N 1 2 374.510 2.393 20 30 FEEDLO CCN(CC)C(=O)C1CC[NH+]([C@H](C(=O)OC)c2cccc(C#N)c2)CC1 ZINC000153614583 544798921 /nfs/dbraw/zinc/79/89/21/544798921.db2.gz PNUJFYLMPFBKSH-SFHVURJKSA-N 1 2 357.454 2.353 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccc(Oc2cnccn2)cc1 ZINC000154759944 544945528 /nfs/dbraw/zinc/94/55/28/544945528.db2.gz RYNKGWSHSBJLQI-UHFFFAOYSA-N 1 2 367.453 2.317 20 30 FEEDLO C#CCSCCNC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(OC)cc1 ZINC000154855255 544958263 /nfs/dbraw/zinc/95/82/63/544958263.db2.gz HLOWOBBNJWJLST-MRXNPFEDSA-N 1 2 358.467 2.184 20 30 FEEDLO CN1CC[NH+](Cc2cccc(NC(=O)CNc3cccc(C#N)c3)c2)CC1 ZINC000154911848 544965354 /nfs/dbraw/zinc/96/53/54/544965354.db2.gz UPPMAYGWACLVOW-UHFFFAOYSA-N 1 2 363.465 2.356 20 30 FEEDLO N#Cc1ccc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)cc1O ZINC000190073021 328185757 /nfs/dbraw/zinc/18/57/57/328185757.db2.gz LRDFKQFPCXXFJB-GOSISDBHSA-N 1 2 351.406 2.067 20 30 FEEDLO Cn1cc(C[NH+]2CCN(Cc3nc(-c4cccs4)no3)CC2)cc1C#N ZINC000191205275 328253919 /nfs/dbraw/zinc/25/39/19/328253919.db2.gz DAUWJIBUGCKLLC-UHFFFAOYSA-N 1 2 368.466 2.326 20 30 FEEDLO N#Cc1ccc(Br)c(C[NH+]2CCN(c3ncccn3)CC2)c1 ZINC000191772128 328281022 /nfs/dbraw/zinc/28/10/22/328281022.db2.gz WNPRILKOLFTNAT-UHFFFAOYSA-N 1 2 358.243 2.433 20 30 FEEDLO CCC[C@@]1(C)C(=O)NCC[N@@H+]1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192806223 328340542 /nfs/dbraw/zinc/34/05/42/328340542.db2.gz GUYFJUOBEGOCTJ-XLIONFOSSA-N 1 2 354.454 2.044 20 30 FEEDLO CCC[C@@]1(C)C(=O)NCC[N@H+]1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192806223 328340543 /nfs/dbraw/zinc/34/05/43/328340543.db2.gz GUYFJUOBEGOCTJ-XLIONFOSSA-N 1 2 354.454 2.044 20 30 FEEDLO CCCC(=O)NC[C@H]1CCC[N@@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000083170237 325214406 /nfs/dbraw/zinc/21/44/06/325214406.db2.gz RIUGPWKQXMKKCV-GDBMZVCRSA-N 1 2 374.510 2.353 20 30 FEEDLO CCCC(=O)NC[C@H]1CCC[N@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000083170237 325214409 /nfs/dbraw/zinc/21/44/09/325214409.db2.gz RIUGPWKQXMKKCV-GDBMZVCRSA-N 1 2 374.510 2.353 20 30 FEEDLO N#Cc1ccc([C@@H]([NH2+][C@@H]2CCCN(c3ccccc3F)C2=O)C(N)=O)cc1 ZINC000090069685 325353175 /nfs/dbraw/zinc/35/31/75/325353175.db2.gz GOTQUGZFMYNYIR-SJLPKXTDSA-N 1 2 366.396 2.009 20 30 FEEDLO C[C@H]1CCC[C@H](NC(=O)CN2CC[NH+](Cc3cc(C#N)cs3)CC2)C1 ZINC000093053557 325432638 /nfs/dbraw/zinc/43/26/38/325432638.db2.gz NVPNBEZLDPJPRM-RDJZCZTQSA-N 1 2 360.527 2.432 20 30 FEEDLO Cc1nc2c(cnn2C)c(N2CC[NH+](Cc3cc(C#N)ccc3F)CC2)n1 ZINC000106170518 325587979 /nfs/dbraw/zinc/58/79/79/325587979.db2.gz GNUFCYBKAVRQQL-UHFFFAOYSA-N 1 2 365.416 2.005 20 30 FEEDLO N#Cc1ccc([C@H]([NH2+]CC(=O)Nc2cccc3ccccc32)C(N)=O)cc1 ZINC000115599033 325969577 /nfs/dbraw/zinc/96/95/77/325969577.db2.gz WPNJTIIGKNJBEQ-FQEVSTJZSA-N 1 2 358.401 2.466 20 30 FEEDLO N#Cc1cc(CN2CC[NH+](CC(=O)NC3CCCCC3)CC2)ccc1F ZINC000119910415 326211330 /nfs/dbraw/zinc/21/13/30/326211330.db2.gz YPIHFOAIXBQZGI-UHFFFAOYSA-N 1 2 358.461 2.264 20 30 FEEDLO N#Cc1ccc(F)c(CS(=O)(=O)NCc2cc[nH+]c(N3CCCC3)c2)c1 ZINC000120609388 326272714 /nfs/dbraw/zinc/27/27/14/326272714.db2.gz PWRMVUHAFNVWGJ-UHFFFAOYSA-N 1 2 374.441 2.312 20 30 FEEDLO CSc1[nH]c(=O)c(C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)cc1C#N ZINC000121010427 326305998 /nfs/dbraw/zinc/30/59/98/326305998.db2.gz JZRGPJLUJUYDBU-OAHLLOKOSA-N 1 2 374.441 2.140 20 30 FEEDLO Cc1ccc(S(=O)(=O)NCC[N@@H+](C)Cc2ccc(F)c(C#N)c2)cc1 ZINC000121586194 326349994 /nfs/dbraw/zinc/34/99/94/326349994.db2.gz PGBFKYWTKGMAAN-UHFFFAOYSA-N 1 2 361.442 2.416 20 30 FEEDLO Cc1ccc(S(=O)(=O)NCC[N@H+](C)Cc2ccc(F)c(C#N)c2)cc1 ZINC000121586194 326349997 /nfs/dbraw/zinc/34/99/97/326349997.db2.gz PGBFKYWTKGMAAN-UHFFFAOYSA-N 1 2 361.442 2.416 20 30 FEEDLO Cc1oc(NC(=O)C[NH+]2CCC(OC[C@@H]3CCOC3)CC2)c(C#N)c1C ZINC000131705589 326580290 /nfs/dbraw/zinc/58/02/90/326580290.db2.gz WFLQJPMIDJWNCO-OAHLLOKOSA-N 1 2 361.442 2.224 20 30 FEEDLO N#Cc1ccc(Oc2ccc(OC[C@@H](O)C[NH+]3CCOCC3)cc2)cc1 ZINC000155488531 326789924 /nfs/dbraw/zinc/78/99/24/326789924.db2.gz YRDAFNOWWUDZQC-KRWDZBQOSA-N 1 2 354.406 2.422 20 30 FEEDLO CCOc1ccc(OC[C@H](O)C[NH+]2CC(Oc3ccc(C#N)cc3)C2)cc1 ZINC000158572933 326900241 /nfs/dbraw/zinc/90/02/41/326900241.db2.gz GLMMSGYKAKFDFR-QGZVFWFLSA-N 1 2 368.433 2.460 20 30 FEEDLO N#Cc1cc(N2CC[NH+](CC(=O)NC3CCCCC3)CC2)ccc1[N+](=O)[O-] ZINC000166365210 327081748 /nfs/dbraw/zinc/08/17/48/327081748.db2.gz OOGUKJNLZPRTCZ-UHFFFAOYSA-N 1 2 371.441 2.037 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)cn1 ZINC000170663856 327092316 /nfs/dbraw/zinc/09/23/16/327092316.db2.gz VSASXOUMATXUBN-UHFFFAOYSA-N 1 2 371.466 2.207 20 30 FEEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)c1occc1COc1cccc(C#N)c1 ZINC000170667792 327092499 /nfs/dbraw/zinc/09/24/99/327092499.db2.gz HEFIELUJLHSKBD-OAHLLOKOSA-N 1 2 369.421 2.181 20 30 FEEDLO N#Cc1cnn(-c2ccc(C(=O)N3CCCC[C@@H]3c3[nH]cc[nH+]3)cc2)c1N ZINC000171136660 327120436 /nfs/dbraw/zinc/12/04/36/327120436.db2.gz IWNYSCMRHPKUCO-MRXNPFEDSA-N 1 2 361.409 2.417 20 30 FEEDLO N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CC[NH+](C2CCC2)CC1 ZINC000265648844 329146464 /nfs/dbraw/zinc/14/64/64/329146464.db2.gz MEZCYXYBLUMYPM-UHFFFAOYSA-N 1 2 373.400 2.436 20 30 FEEDLO C[C@@H](NC(=O)CC(C)(C)C)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000275131666 330013746 /nfs/dbraw/zinc/01/37/46/330013746.db2.gz KWRMWSPUJYYNFN-MRXNPFEDSA-N 1 2 370.497 2.143 20 30 FEEDLO CC[N@@H+]1CCO[C@H](C(=O)OCc2cc(C#N)ccc2Br)C1 ZINC000805470248 674338709 /nfs/dbraw/zinc/33/87/09/674338709.db2.gz VUMQHICYOJKFQJ-AWEZNQCLSA-N 1 2 353.216 2.085 20 30 FEEDLO CC[N@H+]1CCO[C@H](C(=O)OCc2cc(C#N)ccc2Br)C1 ZINC000805470248 674338711 /nfs/dbraw/zinc/33/87/11/674338711.db2.gz VUMQHICYOJKFQJ-AWEZNQCLSA-N 1 2 353.216 2.085 20 30 FEEDLO Cc1noc(CNC(=O)NC[C@@H]2C[C@H](F)C[N@@H+]2Cc2cccs2)n1 ZINC000328638175 526612730 /nfs/dbraw/zinc/61/27/30/526612730.db2.gz OZZJMWGEVLRBIG-RYUDHWBXSA-N 1 2 353.423 2.056 20 30 FEEDLO Cc1noc(CNC(=O)NC[C@@H]2C[C@H](F)C[N@H+]2Cc2cccs2)n1 ZINC000328638175 526612734 /nfs/dbraw/zinc/61/27/34/526612734.db2.gz OZZJMWGEVLRBIG-RYUDHWBXSA-N 1 2 353.423 2.056 20 30 FEEDLO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(C[C@@H](O)c2ccsc2)CC1=O ZINC000156792314 545659745 /nfs/dbraw/zinc/65/97/45/545659745.db2.gz OMXNBHNGRWBUTL-OAHLLOKOSA-N 1 2 368.462 2.441 20 30 FEEDLO Cc1ccc(N(CCC#N)C(=O)C[N@H+](CCO)Cc2cccnc2)cc1C ZINC000156822547 545666528 /nfs/dbraw/zinc/66/65/28/545666528.db2.gz KHLJZJVKQVPVBO-UHFFFAOYSA-N 1 2 366.465 2.440 20 30 FEEDLO Cc1ccc(N(CCC#N)C(=O)C[N@@H+](CCO)Cc2cccnc2)cc1C ZINC000156822547 545666531 /nfs/dbraw/zinc/66/65/31/545666531.db2.gz KHLJZJVKQVPVBO-UHFFFAOYSA-N 1 2 366.465 2.440 20 30 FEEDLO COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)C[N@H+](CCC#N)CC(C)(C)C ZINC000157243954 545718062 /nfs/dbraw/zinc/71/80/62/545718062.db2.gz CWWILSNZIBSLNC-SFHVURJKSA-N 1 2 371.481 2.375 20 30 FEEDLO COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)C[N@@H+](CCC#N)CC(C)(C)C ZINC000157243954 545718067 /nfs/dbraw/zinc/71/80/67/545718067.db2.gz CWWILSNZIBSLNC-SFHVURJKSA-N 1 2 371.481 2.375 20 30 FEEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000157269176 545721546 /nfs/dbraw/zinc/72/15/46/545721546.db2.gz HURUPXUTJXIERM-DZGCQCFKSA-N 1 2 358.442 2.484 20 30 FEEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000157269176 545721548 /nfs/dbraw/zinc/72/15/48/545721548.db2.gz HURUPXUTJXIERM-DZGCQCFKSA-N 1 2 358.442 2.484 20 30 FEEDLO COc1cc(C#N)ccc1OCCN1CC[NH+](Cc2c(C)noc2C)CC1 ZINC000157653028 545766869 /nfs/dbraw/zinc/76/68/69/545766869.db2.gz BJYKCKJHLMAUQH-UHFFFAOYSA-N 1 2 370.453 2.368 20 30 FEEDLO COc1cc(C#N)ccc1OCC[NH+]1CCN(Cc2c(C)noc2C)CC1 ZINC000157653028 545766871 /nfs/dbraw/zinc/76/68/71/545766871.db2.gz BJYKCKJHLMAUQH-UHFFFAOYSA-N 1 2 370.453 2.368 20 30 FEEDLO CN(Cc1ccc(F)cc1)C(=O)CO[NH+]=C(N)c1ccc2c(c1)CCO2 ZINC000158191120 545833466 /nfs/dbraw/zinc/83/34/66/545833466.db2.gz IOGGOGAMWXYATF-UHFFFAOYSA-N 1 2 357.385 2.056 20 30 FEEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C[C@H](CC)c2ccc(C)cc2)CC1 ZINC000159067640 545919094 /nfs/dbraw/zinc/91/90/94/545919094.db2.gz LMSGVZCBUIWUQK-IBGZPJMESA-N 1 2 369.509 2.162 20 30 FEEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C[C@H](CC)c2ccc(C)cc2)CC1 ZINC000159067640 545919098 /nfs/dbraw/zinc/91/90/98/545919098.db2.gz LMSGVZCBUIWUQK-IBGZPJMESA-N 1 2 369.509 2.162 20 30 FEEDLO C[C@@H](SCC[NH+]1CCOCC1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000159784749 545980564 /nfs/dbraw/zinc/98/05/64/545980564.db2.gz KORSEZYMIHFDLC-UPTPFMHGSA-N 1 2 353.532 2.371 20 30 FEEDLO CSc1cc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)ccc1F ZINC000160084043 546005150 /nfs/dbraw/zinc/00/51/50/546005150.db2.gz BHIQBMUDVSRLNH-UHFFFAOYSA-N 1 2 351.447 2.236 20 30 FEEDLO C=CCc1ccc(OCC(=O)NCC[N@@H+]2CCOCC2(C)C)c(OC)c1 ZINC000170860906 546180381 /nfs/dbraw/zinc/18/03/81/546180381.db2.gz XTNFVBGGKTWASA-UHFFFAOYSA-N 1 2 362.470 2.030 20 30 FEEDLO C=CCc1ccc(OCC(=O)NCC[N@H+]2CCOCC2(C)C)c(OC)c1 ZINC000170860906 546180386 /nfs/dbraw/zinc/18/03/86/546180386.db2.gz XTNFVBGGKTWASA-UHFFFAOYSA-N 1 2 362.470 2.030 20 30 FEEDLO N#Cc1ccc(N2CCN(C(=O)c3cccc(-n4cc[nH+]c4)c3)CC2)nc1 ZINC000172060399 546234606 /nfs/dbraw/zinc/23/46/06/546234606.db2.gz UIJWSSWVSQHFFN-UHFFFAOYSA-N 1 2 358.405 2.101 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCc2c(cccc2N2CCOC2=O)C1 ZINC000174065477 546290397 /nfs/dbraw/zinc/29/03/97/546290397.db2.gz SZIJLOFSUULCTP-FQEVSTJZSA-N 1 2 370.453 2.056 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCc2c(cccc2N2CCOC2=O)C1 ZINC000174065477 546290400 /nfs/dbraw/zinc/29/04/00/546290400.db2.gz SZIJLOFSUULCTP-FQEVSTJZSA-N 1 2 370.453 2.056 20 30 FEEDLO C#CC[NH+](CC#C)CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000174526163 546298193 /nfs/dbraw/zinc/29/81/93/546298193.db2.gz LQTFTUJHYGZZDR-SFHVURJKSA-N 1 2 352.434 2.080 20 30 FEEDLO Cc1ccccc1CNC(=O)C[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000174578096 546299044 /nfs/dbraw/zinc/29/90/44/546299044.db2.gz QBYPVNMCNAUIPU-OAQYLSRUSA-N 1 2 362.477 2.494 20 30 FEEDLO C=C(Br)C[N@H+]1CCCN(Cc2nc([C@H](C)OC)no2)CC1 ZINC000175793357 546351549 /nfs/dbraw/zinc/35/15/49/546351549.db2.gz UYLUQDYPLWRSMB-LBPRGKRZSA-N 1 2 359.268 2.193 20 30 FEEDLO C=C(Br)C[N@@H+]1CCCN(Cc2nc([C@H](C)OC)no2)CC1 ZINC000175793357 546351553 /nfs/dbraw/zinc/35/15/53/546351553.db2.gz UYLUQDYPLWRSMB-LBPRGKRZSA-N 1 2 359.268 2.193 20 30 FEEDLO N#CCCN(CCC#N)CC(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000176110157 546408376 /nfs/dbraw/zinc/40/83/76/546408376.db2.gz UZUXDKXOLQRUCM-UHFFFAOYSA-N 1 2 373.888 2.114 20 30 FEEDLO C[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)C[C@H]1COc2ccccc2O1 ZINC000176193597 546417933 /nfs/dbraw/zinc/41/79/33/546417933.db2.gz VGTQRZSCWUYUBE-INIZCTEOSA-N 1 2 372.446 2.104 20 30 FEEDLO C[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)C[C@H]1COc2ccccc2O1 ZINC000176193597 546417935 /nfs/dbraw/zinc/41/79/35/546417935.db2.gz VGTQRZSCWUYUBE-INIZCTEOSA-N 1 2 372.446 2.104 20 30 FEEDLO CCO[C@H](C)c1nc(CN(CCC#N)CC[NH+]2CCOCC2)cs1 ZINC000176265324 546425879 /nfs/dbraw/zinc/42/58/79/546425879.db2.gz UCVCOHQRYDSXDJ-OAHLLOKOSA-N 1 2 352.504 2.288 20 30 FEEDLO N#CC1CCN(C(=O)C(=O)Nc2ccc3c(c2)[nH+]c2n3CCCCC2)CC1 ZINC000177445018 546620026 /nfs/dbraw/zinc/62/00/26/546620026.db2.gz DGMZYEVWAZLPMF-UHFFFAOYSA-N 1 2 365.437 2.463 20 30 FEEDLO CC(C)(C)NC(=O)N1CC[NH+](CCC(=O)Nc2sccc2C#N)CC1 ZINC000481115115 561225578 /nfs/dbraw/zinc/22/55/78/561225578.db2.gz FWCUXVOAQFMEAO-UHFFFAOYSA-N 1 2 363.487 2.074 20 30 FEEDLO C=C(C)[C@H]([NH2+]CC(=O)NCC(=O)NC(C)(C)C)c1ccc(F)c(F)c1 ZINC000481617576 561237518 /nfs/dbraw/zinc/23/75/18/561237518.db2.gz UXZGSFZQHWOWIJ-KRWDZBQOSA-N 1 2 353.413 2.203 20 30 FEEDLO C=CCOC[C@H]([NH2+][C@@H]1CCc2[nH]c3ccc(OC)cc3c2C1)C(=O)OC ZINC000482452123 561254197 /nfs/dbraw/zinc/25/41/97/561254197.db2.gz JZUZIGPEVPPIAT-YJYMSZOUSA-N 1 2 358.438 2.368 20 30 FEEDLO Cc1nn(CCS(C)(=O)=O)c(C)c1C(=O)/C=C/c1cccc2[nH+]ccn21 ZINC000180316066 547083232 /nfs/dbraw/zinc/08/32/32/547083232.db2.gz BWACPDOHMSHYOM-BQYQJAHWSA-N 1 2 372.450 2.088 20 30 FEEDLO C=CCCC[C@H](C)NC(=O)N1CC[NH+](CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000181424543 547313467 /nfs/dbraw/zinc/31/34/67/547313467.db2.gz WKZMGCJFOZMPBT-ROUUACIJSA-N 1 2 364.534 2.459 20 30 FEEDLO COC[C@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1ccco1 ZINC000184595225 547851412 /nfs/dbraw/zinc/85/14/12/547851412.db2.gz TZLXXKJPNAZADH-INIZCTEOSA-N 1 2 365.393 2.253 20 30 FEEDLO COc1cccc(-c2noc([C@H](C)[NH2+]CC(=O)N[C@](C)(C#N)C(C)C)n2)c1 ZINC000185115687 547936195 /nfs/dbraw/zinc/93/61/95/547936195.db2.gz PGEKOEUZLIFXCZ-ORAYPTAESA-N 1 2 371.441 2.450 20 30 FEEDLO C[C@@H]([NH2+]CC(=O)N(CCC#N)CCC#N)c1nc(C2CCCCC2)no1 ZINC000185265632 547961669 /nfs/dbraw/zinc/96/16/69/547961669.db2.gz VLXNRYVDXYNCFV-CQSZACIVSA-N 1 2 358.446 2.424 20 30 FEEDLO C=CCNC(=O)NC(=O)C[NH2+][C@@H](CC)c1nc(C(F)(F)F)cs1 ZINC000185959333 548065622 /nfs/dbraw/zinc/06/56/22/548065622.db2.gz CNYMUALLYNHBSD-QMMMGPOBSA-N 1 2 350.366 2.214 20 30 FEEDLO Cc1cc(C#N)ccc1S(=O)(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186111609 548086853 /nfs/dbraw/zinc/08/68/53/548086853.db2.gz GLXXFDGGTOVQNN-UHFFFAOYSA-N 1 2 356.451 2.163 20 30 FEEDLO C[C@H](C(=O)N(C)CCC#N)[NH+]1CCC(O)(c2c(F)cccc2F)CC1 ZINC000186495416 548143570 /nfs/dbraw/zinc/14/35/70/548143570.db2.gz CENLKSTVIWFXDV-CYBMUJFWSA-N 1 2 351.397 2.009 20 30 FEEDLO COc1ccc(C#N)cc1NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C ZINC000486001990 561334752 /nfs/dbraw/zinc/33/47/52/561334752.db2.gz IIEXOWGVAQPLIM-INIZCTEOSA-N 1 2 369.425 2.002 20 30 FEEDLO COc1ccc(C#N)cc1NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C ZINC000486001990 561334753 /nfs/dbraw/zinc/33/47/53/561334753.db2.gz IIEXOWGVAQPLIM-INIZCTEOSA-N 1 2 369.425 2.002 20 30 FEEDLO C=CCN(CCOC)C(=O)C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000190738723 548334030 /nfs/dbraw/zinc/33/40/30/548334030.db2.gz HCIJQUWCAYQYGJ-UHFFFAOYSA-N 1 2 370.453 2.362 20 30 FEEDLO N#Cc1ccc(C(=O)N(CCC[NH+]2CCOCC2)Cc2ccncc2)s1 ZINC000487325000 561367577 /nfs/dbraw/zinc/36/75/77/561367577.db2.gz QFZBMJWJNUIQJI-UHFFFAOYSA-N 1 2 370.478 2.379 20 30 FEEDLO N#Cc1ccc(N2CCC[C@H]([N@@H+]3CC[C@@](O)(C(F)(F)F)C3)C2=O)cc1 ZINC000245531615 548940507 /nfs/dbraw/zinc/94/05/07/548940507.db2.gz TZTSFERLZSNPKJ-HOCLYGCPSA-N 1 2 353.344 2.053 20 30 FEEDLO N#Cc1ccc(N2CCC[C@H]([N@H+]3CC[C@@](O)(C(F)(F)F)C3)C2=O)cc1 ZINC000245531615 548940511 /nfs/dbraw/zinc/94/05/11/548940511.db2.gz TZTSFERLZSNPKJ-HOCLYGCPSA-N 1 2 353.344 2.053 20 30 FEEDLO CCN(CC)c1ncc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@H]2C)s1 ZINC000245703625 548979913 /nfs/dbraw/zinc/97/99/13/548979913.db2.gz BRSQQTOHIBARTF-CQSZACIVSA-N 1 2 371.514 2.362 20 30 FEEDLO CCN(CC)c1ncc(C[N@H+]2CCN(c3nccnc3C#N)C[C@H]2C)s1 ZINC000245703625 548979916 /nfs/dbraw/zinc/97/99/16/548979916.db2.gz BRSQQTOHIBARTF-CQSZACIVSA-N 1 2 371.514 2.362 20 30 FEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000245778933 548993530 /nfs/dbraw/zinc/99/35/30/548993530.db2.gz LXXGMNDSGURKJB-KPFFTGBYSA-N 1 2 367.449 2.248 20 30 FEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000245778933 548993534 /nfs/dbraw/zinc/99/35/34/548993534.db2.gz LXXGMNDSGURKJB-KPFFTGBYSA-N 1 2 367.449 2.248 20 30 FEEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+](C)C[C@@H](O)C(F)(F)F ZINC000245985296 549031359 /nfs/dbraw/zinc/03/13/59/549031359.db2.gz HIDWSGKNGADWDN-QPUJVOFHSA-N 1 2 361.389 2.290 20 30 FEEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+](C)C[C@@H](O)C(F)(F)F ZINC000245985296 549031362 /nfs/dbraw/zinc/03/13/62/549031362.db2.gz HIDWSGKNGADWDN-QPUJVOFHSA-N 1 2 361.389 2.290 20 30 FEEDLO C=CCc1cc(CNC(=O)N[C@H]2CCn3cc[nH+]c3C2)cc(OC)c1OC ZINC000488594671 561392480 /nfs/dbraw/zinc/39/24/80/561392480.db2.gz LDPCWIRIRHKZTF-INIZCTEOSA-N 1 2 370.453 2.443 20 30 FEEDLO CC(C)N1C(=O)C[N@@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1(C)C ZINC000490091182 561426401 /nfs/dbraw/zinc/42/64/01/561426401.db2.gz VYWSPHBDZVXGKZ-GOSISDBHSA-N 1 2 368.481 2.385 20 30 FEEDLO CC(C)N1C(=O)C[N@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1(C)C ZINC000490091182 561426402 /nfs/dbraw/zinc/42/64/02/561426402.db2.gz VYWSPHBDZVXGKZ-GOSISDBHSA-N 1 2 368.481 2.385 20 30 FEEDLO N#Cc1ccc(SCC(=O)N2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000264053384 549973216 /nfs/dbraw/zinc/97/32/16/549973216.db2.gz BNNYCFZPNROVMX-UHFFFAOYSA-N 1 2 352.463 2.390 20 30 FEEDLO N#Cc1cc(NC(=O)NCc2ccc(N3CCOCC3)[nH+]c2)ccc1F ZINC000264063931 549974774 /nfs/dbraw/zinc/97/47/74/549974774.db2.gz VYRPEVNVDWVXQM-UHFFFAOYSA-N 1 2 355.373 2.251 20 30 FEEDLO COc1ccc(C(N)=[NH+]O[C@H](C)C(=O)NCc2cccc(OC)c2)cc1 ZINC000264894738 550002771 /nfs/dbraw/zinc/00/27/71/550002771.db2.gz AENITXWCDDNURF-CYBMUJFWSA-N 1 2 357.410 2.046 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)C[C@@H]1CCc2ccccc2C1 ZINC000264912841 550003590 /nfs/dbraw/zinc/00/35/90/550003590.db2.gz JWBHVWGKWQQZTP-GOSISDBHSA-N 1 2 355.482 2.256 20 30 FEEDLO CC[N@@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1)C[C@H]1CCCO1 ZINC000265137674 550006811 /nfs/dbraw/zinc/00/68/11/550006811.db2.gz PBSRJZQTGGZFAF-UKRRQHHQSA-N 1 2 354.410 2.013 20 30 FEEDLO CC[N@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1)C[C@H]1CCCO1 ZINC000265137674 550006813 /nfs/dbraw/zinc/00/68/13/550006813.db2.gz PBSRJZQTGGZFAF-UKRRQHHQSA-N 1 2 354.410 2.013 20 30 FEEDLO O=C(C[N@@H+]1CCO[C@@H]2CCC[C@H]21)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000265158863 550007402 /nfs/dbraw/zinc/00/74/02/550007402.db2.gz VMOUZDZFPUUHDU-IAGOWNOFSA-N 1 2 366.383 2.426 20 30 FEEDLO O=C(C[N@H+]1CCO[C@@H]2CCC[C@H]21)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000265158863 550007405 /nfs/dbraw/zinc/00/74/05/550007405.db2.gz VMOUZDZFPUUHDU-IAGOWNOFSA-N 1 2 366.383 2.426 20 30 FEEDLO C[C@@H]1[C@H](C)SCC[N@@H+]1CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000265534061 550011381 /nfs/dbraw/zinc/01/13/81/550011381.db2.gz QCNUYYNWKFWHJJ-DYEKYZERSA-N 1 2 356.451 2.337 20 30 FEEDLO C[C@@H]1[C@H](C)SCC[N@H+]1CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000265534061 550011384 /nfs/dbraw/zinc/01/13/84/550011384.db2.gz QCNUYYNWKFWHJJ-DYEKYZERSA-N 1 2 356.451 2.337 20 30 FEEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCN(c2cccc(O)c2)CC1 ZINC000265974432 550015636 /nfs/dbraw/zinc/01/56/36/550015636.db2.gz WQHXPZUJMTYHPH-MRXNPFEDSA-N 1 2 356.470 2.245 20 30 FEEDLO COc1ccc(OC)c(NC(=O)[C@@H](C)O[NH+]=C(N)[C@H](C)OCC(C)C)c1 ZINC000266209790 550018244 /nfs/dbraw/zinc/01/82/44/550018244.db2.gz NRVFVSYDVQSIRS-QWHCGFSZSA-N 1 2 367.446 2.381 20 30 FEEDLO COc1ccc(NC(=O)[C@@H](C)O[NH+]=C(N)[C@@H](C)OCC(C)C)cc1OC ZINC000266225141 550018287 /nfs/dbraw/zinc/01/82/87/550018287.db2.gz SFZUKTUQMLPMDU-CHWSQXEVSA-N 1 2 367.446 2.381 20 30 FEEDLO CC(C)CC[N@H+](CCC#N)CC(=O)NCc1cccc(C(=O)NC2CC2)c1 ZINC000266771324 550023930 /nfs/dbraw/zinc/02/39/30/550023930.db2.gz WVILCSXFTNYQOW-UHFFFAOYSA-N 1 2 370.497 2.457 20 30 FEEDLO CC(C)CC[N@@H+](CCC#N)CC(=O)NCc1cccc(C(=O)NC2CC2)c1 ZINC000266771324 550023934 /nfs/dbraw/zinc/02/39/34/550023934.db2.gz WVILCSXFTNYQOW-UHFFFAOYSA-N 1 2 370.497 2.457 20 30 FEEDLO Cc1nnc([C@@H]2CCC[N@H+](CC(=O)N(CCC#N)c3ccccc3)C2)[nH]1 ZINC000268460822 550070261 /nfs/dbraw/zinc/07/02/61/550070261.db2.gz KWBIOPPIOUUKLP-MRXNPFEDSA-N 1 2 352.442 2.239 20 30 FEEDLO Cc1nnc([C@@H]2CCC[N@@H+](CC(=O)N(CCC#N)c3ccccc3)C2)[nH]1 ZINC000268460822 550070264 /nfs/dbraw/zinc/07/02/64/550070264.db2.gz KWBIOPPIOUUKLP-MRXNPFEDSA-N 1 2 352.442 2.239 20 30 FEEDLO Cc1n[nH]c([C@@H]2CCC[N@H+](CC(=O)N(CCC#N)c3ccccc3)C2)n1 ZINC000268460822 550070267 /nfs/dbraw/zinc/07/02/67/550070267.db2.gz KWBIOPPIOUUKLP-MRXNPFEDSA-N 1 2 352.442 2.239 20 30 FEEDLO Cc1n[nH]c([C@@H]2CCC[N@@H+](CC(=O)N(CCC#N)c3ccccc3)C2)n1 ZINC000268460822 550070271 /nfs/dbraw/zinc/07/02/71/550070271.db2.gz KWBIOPPIOUUKLP-MRXNPFEDSA-N 1 2 352.442 2.239 20 30 FEEDLO Cc1nc([C@@H]2CCC[N@H+](CC(=O)N(CCC#N)c3ccccc3)C2)n[nH]1 ZINC000268460822 550070275 /nfs/dbraw/zinc/07/02/75/550070275.db2.gz KWBIOPPIOUUKLP-MRXNPFEDSA-N 1 2 352.442 2.239 20 30 FEEDLO Cc1nc([C@@H]2CCC[N@@H+](CC(=O)N(CCC#N)c3ccccc3)C2)n[nH]1 ZINC000268460822 550070278 /nfs/dbraw/zinc/07/02/78/550070278.db2.gz KWBIOPPIOUUKLP-MRXNPFEDSA-N 1 2 352.442 2.239 20 30 FEEDLO CCN(C[C@H](C)C#N)C(=O)CN1CCc2c([nH+]cn2-c2ccccc2)C1 ZINC000272535272 550456635 /nfs/dbraw/zinc/45/66/35/550456635.db2.gz NADGTYHPGBFNRY-MRXNPFEDSA-N 1 2 351.454 2.239 20 30 FEEDLO C=CCN(CCc1ccco1)C(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000272570099 550458538 /nfs/dbraw/zinc/45/85/38/550458538.db2.gz FSDGYYHGCCEFDA-UHFFFAOYSA-N 1 2 354.454 2.054 20 30 FEEDLO CC1(C#N)CC[NH+](CC(=O)Nc2cc(Cl)ccc2-n2cncn2)CC1 ZINC000272618424 550461075 /nfs/dbraw/zinc/46/10/75/550461075.db2.gz UHOVDAMHAFIGPR-UHFFFAOYSA-N 1 2 358.833 2.485 20 30 FEEDLO COCc1noc([C@@H](C)[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)n1 ZINC000273301976 550493816 /nfs/dbraw/zinc/49/38/16/550493816.db2.gz HBTWBXUQBDQEJE-CYBMUJFWSA-N 1 2 369.425 2.499 20 30 FEEDLO COc1ccc(C#N)cc1NC(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000273702752 550508526 /nfs/dbraw/zinc/50/85/26/550508526.db2.gz NBXFMSJXBZMWIH-UHFFFAOYSA-N 1 2 352.398 2.019 20 30 FEEDLO C=CC[C@H](CO)NC(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000274184920 550527080 /nfs/dbraw/zinc/52/70/80/550527080.db2.gz KCWSIMQVWOGMQI-GFCCVEGCSA-N 1 2 367.247 2.141 20 30 FEEDLO N#Cc1ccc(C[N@H+]2CCCN(S(=O)(=O)c3ccccc3N)CC2)cc1 ZINC000274368358 550534846 /nfs/dbraw/zinc/53/48/46/550534846.db2.gz SLVGPZPXUXYPFJ-UHFFFAOYSA-N 1 2 370.478 2.037 20 30 FEEDLO N#Cc1ccc(C[N@@H+]2CCCN(S(=O)(=O)c3ccccc3N)CC2)cc1 ZINC000274368358 550534848 /nfs/dbraw/zinc/53/48/48/550534848.db2.gz SLVGPZPXUXYPFJ-UHFFFAOYSA-N 1 2 370.478 2.037 20 30 FEEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[S@](=O)C[C@@H](C)C1 ZINC000277366336 550661642 /nfs/dbraw/zinc/66/16/42/550661642.db2.gz GYFBULABDMQQBF-NPGVVQFXSA-N 1 2 354.541 2.352 20 30 FEEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[S@](=O)C[C@@H](C)C1 ZINC000277366336 550661643 /nfs/dbraw/zinc/66/16/43/550661643.db2.gz GYFBULABDMQQBF-NPGVVQFXSA-N 1 2 354.541 2.352 20 30 FEEDLO C#CCn1ccc(CN(CC)C(=O)NCc2ccccc2-n2cc[nH+]c2)n1 ZINC000279399440 550885772 /nfs/dbraw/zinc/88/57/72/550885772.db2.gz HAEAAOOFCCFIEZ-UHFFFAOYSA-N 1 2 362.437 2.434 20 30 FEEDLO N#CCCn1cc(C[N@H+]2CC(=O)N[C@H]3CCCC[C@@H]32)c(-c2ccncc2)n1 ZINC000279402152 550885907 /nfs/dbraw/zinc/88/59/07/550885907.db2.gz MOHYAFWOUPQTNT-ROUUACIJSA-N 1 2 364.453 2.102 20 30 FEEDLO N#CCCn1cc(C[N@@H+]2CC(=O)N[C@H]3CCCC[C@@H]32)c(-c2ccncc2)n1 ZINC000279402152 550885908 /nfs/dbraw/zinc/88/59/08/550885908.db2.gz MOHYAFWOUPQTNT-ROUUACIJSA-N 1 2 364.453 2.102 20 30 FEEDLO COc1ccccc1-n1nccc1C[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000280750504 551028412 /nfs/dbraw/zinc/02/84/12/551028412.db2.gz BNEAMBIXTXACFS-UHFFFAOYSA-N 1 2 374.448 2.470 20 30 FEEDLO COC(=O)CC1(C[NH+]2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1 ZINC000281443665 551098109 /nfs/dbraw/zinc/09/81/09/551098109.db2.gz KPGKJGQBIAZZTA-UHFFFAOYSA-N 1 2 370.409 2.272 20 30 FEEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1=O ZINC000281455889 551099683 /nfs/dbraw/zinc/09/96/83/551099683.db2.gz VADTWFQTGZZBJH-BLLLJJGKSA-N 1 2 360.845 2.257 20 30 FEEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1=O ZINC000281455889 551099684 /nfs/dbraw/zinc/09/96/84/551099684.db2.gz VADTWFQTGZZBJH-BLLLJJGKSA-N 1 2 360.845 2.257 20 30 FEEDLO C=CCN1CC[C@H](N(C)C(=O)/C=C/c2ccc(-n3cc[nH+]c3)cc2)C1=O ZINC000281599352 551118637 /nfs/dbraw/zinc/11/86/37/551118637.db2.gz DANLDEBNUQXEMS-YOCVDRLZSA-N 1 2 350.422 2.131 20 30 FEEDLO C=CCN1CC[C@H](N(C)C(=O)CSCc2cn3cc(C)ccc3[nH+]2)C1=O ZINC000281682145 551130004 /nfs/dbraw/zinc/13/00/04/551130004.db2.gz KPBYQPXGQMIWGT-INIZCTEOSA-N 1 2 372.494 2.121 20 30 FEEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)Nc2ccccc2Br)C1=O ZINC000282031560 551171975 /nfs/dbraw/zinc/17/19/75/551171975.db2.gz QCZDUEPWCLUVIM-CQSZACIVSA-N 1 2 366.259 2.106 20 30 FEEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccccc2Br)C1=O ZINC000282031560 551171976 /nfs/dbraw/zinc/17/19/76/551171976.db2.gz QCZDUEPWCLUVIM-CQSZACIVSA-N 1 2 366.259 2.106 20 30 FEEDLO C[C@@H](CC#N)N(C)S(=O)(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000282893241 551282528 /nfs/dbraw/zinc/28/25/28/551282528.db2.gz DVQBIAQQNRXXPQ-HNNXBMFYSA-N 1 2 365.503 2.030 20 30 FEEDLO Cc1nc(CC(N)=[NH+]O[C@@H](C)C(=O)N2CCc3sccc3C2)cs1 ZINC000283483329 551374085 /nfs/dbraw/zinc/37/40/85/551374085.db2.gz UAQHRARGAPMZTI-JTQLQIEISA-N 1 2 364.496 2.318 20 30 FEEDLO C[N@@H+]1CCO[C@@H]2CCN(Cc3cn(CCC#N)nc3-c3ccccc3)C[C@@H]21 ZINC000284233162 551506704 /nfs/dbraw/zinc/50/67/04/551506704.db2.gz DPKYMUQDNHAIDR-VQTJNVASSA-N 1 2 365.481 2.369 20 30 FEEDLO C[N@H+]1CCO[C@@H]2CCN(Cc3cn(CCC#N)nc3-c3ccccc3)C[C@@H]21 ZINC000284233162 551506705 /nfs/dbraw/zinc/50/67/05/551506705.db2.gz DPKYMUQDNHAIDR-VQTJNVASSA-N 1 2 365.481 2.369 20 30 FEEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)CO[NH+]=C(N)[C@H]1CCCO1 ZINC000284567470 551578965 /nfs/dbraw/zinc/57/89/65/551578965.db2.gz WQDXCXPECZTTNF-TZMCWYRMSA-N 1 2 362.455 2.487 20 30 FEEDLO CN(Cc1[nH+]ccn1C)C(=O)C1CCN(c2ccc(C#N)cc2F)CC1 ZINC000284897297 551661685 /nfs/dbraw/zinc/66/16/85/551661685.db2.gz ADRLOGNGHWYTLN-UHFFFAOYSA-N 1 2 355.417 2.306 20 30 FEEDLO C[C@H](C(=O)Nc1ncccn1)[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000285475248 551762298 /nfs/dbraw/zinc/76/22/98/551762298.db2.gz LALWRLKCQGVEKJ-CYBMUJFWSA-N 1 2 369.400 2.358 20 30 FEEDLO Cn1nccc1C1=CC[N@@H+]([C@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000285483832 551763462 /nfs/dbraw/zinc/76/34/62/551763462.db2.gz DACYKHAWBULIKP-INIZCTEOSA-N 1 2 353.451 2.248 20 30 FEEDLO Cn1nccc1C1=CC[N@H+]([C@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000285483832 551763464 /nfs/dbraw/zinc/76/34/64/551763464.db2.gz DACYKHAWBULIKP-INIZCTEOSA-N 1 2 353.451 2.248 20 30 FEEDLO Cn1c[nH+]cc1[C@H]1[C@H](C(=O)Nc2ccc(C#N)cc2)CCC(=O)N1C1CC1 ZINC000285908920 551825900 /nfs/dbraw/zinc/82/59/00/551825900.db2.gz KETXBFNAFHAFJK-VQIMIIECSA-N 1 2 363.421 2.373 20 30 FEEDLO CC(C)Oc1ccccc1CC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000499334324 561549088 /nfs/dbraw/zinc/54/90/88/561549088.db2.gz ZCDUEIHCSIXQHU-UHFFFAOYSA-N 1 2 359.470 2.091 20 30 FEEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)S(=O)(=O)c1ccc(C#N)o1 ZINC000287627127 552027170 /nfs/dbraw/zinc/02/71/70/552027170.db2.gz BEGPFUVXJKYPCT-UHFFFAOYSA-N 1 2 374.466 2.473 20 30 FEEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCCN(c3ccc(F)cc3C)C2=O)C1=O ZINC000500012366 561564002 /nfs/dbraw/zinc/56/40/02/561564002.db2.gz OJJVHQPNMFUECA-QZTJIDSGSA-N 1 2 359.445 2.348 20 30 FEEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H]2CCCN(c3ccc(F)cc3C)C2=O)C1=O ZINC000500012366 561564003 /nfs/dbraw/zinc/56/40/03/561564003.db2.gz OJJVHQPNMFUECA-QZTJIDSGSA-N 1 2 359.445 2.348 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCCN(c3ccc(F)cc3C)C2=O)C1=O ZINC000500012364 561564076 /nfs/dbraw/zinc/56/40/76/561564076.db2.gz OJJVHQPNMFUECA-MSOLQXFVSA-N 1 2 359.445 2.348 20 30 FEEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCCN(c3ccc(F)cc3C)C2=O)C1=O ZINC000500012364 561564077 /nfs/dbraw/zinc/56/40/77/561564077.db2.gz OJJVHQPNMFUECA-MSOLQXFVSA-N 1 2 359.445 2.348 20 30 FEEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](C)C(=O)N2CCSc3ccccc32)C1=O ZINC000500021909 561564256 /nfs/dbraw/zinc/56/42/56/561564256.db2.gz ZITIQLPWTCVXBC-GOEBONIOSA-N 1 2 359.495 2.233 20 30 FEEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H](C)C(=O)N2CCSc3ccccc32)C1=O ZINC000500021909 561564257 /nfs/dbraw/zinc/56/42/57/561564257.db2.gz ZITIQLPWTCVXBC-GOEBONIOSA-N 1 2 359.495 2.233 20 30 FEEDLO Cc1csc(C2([NH2+]CCS(=O)(=O)c3ccc(C#N)cn3)CCC2)n1 ZINC000289935007 552402210 /nfs/dbraw/zinc/40/22/10/552402210.db2.gz OMCASCHJPQUMEC-UHFFFAOYSA-N 1 2 362.480 2.161 20 30 FEEDLO Cc1ccn2cc(CNS(=O)(=O)Cc3cc(C#N)ccc3F)[nH+]c2c1 ZINC000500644299 561578554 /nfs/dbraw/zinc/57/85/54/561578554.db2.gz RKHRUHSFAMPRFE-UHFFFAOYSA-N 1 2 358.398 2.273 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@H](COc3ccccc3)C2)nc1 ZINC000290069833 552422969 /nfs/dbraw/zinc/42/29/69/552422969.db2.gz VZCFFKPAPRRMIF-KRWDZBQOSA-N 1 2 371.462 2.128 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@H](COc3ccccc3)C2)nc1 ZINC000290069833 552422971 /nfs/dbraw/zinc/42/29/71/552422971.db2.gz VZCFFKPAPRRMIF-KRWDZBQOSA-N 1 2 371.462 2.128 20 30 FEEDLO C[N@H+](CCCOc1ccccc1)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000290439080 552479037 /nfs/dbraw/zinc/47/90/37/552479037.db2.gz VMZWBFRXLAOFOF-UHFFFAOYSA-N 1 2 359.451 2.128 20 30 FEEDLO C[N@@H+](CCCOc1ccccc1)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000290439080 552479038 /nfs/dbraw/zinc/47/90/38/552479038.db2.gz VMZWBFRXLAOFOF-UHFFFAOYSA-N 1 2 359.451 2.128 20 30 FEEDLO COc1cc(C[NH+]2CCN(c3snc(C)c3C#N)CC2)cc(OC)c1O ZINC000291529896 552634481 /nfs/dbraw/zinc/63/44/81/552634481.db2.gz KAFHMSQMYHHPPX-UHFFFAOYSA-N 1 2 374.466 2.368 20 30 FEEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CC[C@H](CS(C)(=O)=O)C1 ZINC000292117434 552695429 /nfs/dbraw/zinc/69/54/29/552695429.db2.gz GIVHRUWCFVGPLO-CABCVRRESA-N 1 2 370.540 2.018 20 30 FEEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CC[C@H](CS(C)(=O)=O)C1 ZINC000292117434 552695431 /nfs/dbraw/zinc/69/54/31/552695431.db2.gz GIVHRUWCFVGPLO-CABCVRRESA-N 1 2 370.540 2.018 20 30 FEEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)nc1 ZINC000292366568 552720050 /nfs/dbraw/zinc/72/00/50/552720050.db2.gz YHMOETPKCNPGCJ-OAHLLOKOSA-N 1 2 369.337 2.423 20 30 FEEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)nc1 ZINC000292366568 552720052 /nfs/dbraw/zinc/72/00/52/552720052.db2.gz YHMOETPKCNPGCJ-OAHLLOKOSA-N 1 2 369.337 2.423 20 30 FEEDLO COc1cc[nH+]cc1CNC(=O)N1CCCN(c2ccccc2C#N)CC1 ZINC000294365572 552900479 /nfs/dbraw/zinc/90/04/79/552900479.db2.gz VRABYUMWQAGJSK-UHFFFAOYSA-N 1 2 365.437 2.384 20 30 FEEDLO N#C[C@]1(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC12CCCC2 ZINC000294610974 552920498 /nfs/dbraw/zinc/92/04/98/552920498.db2.gz ZXMCAUGDZGCBKH-NQIIRXRSSA-N 1 2 353.466 2.478 20 30 FEEDLO N#C[C@]1(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC12CCCC2 ZINC000294610974 552920500 /nfs/dbraw/zinc/92/05/00/552920500.db2.gz ZXMCAUGDZGCBKH-NQIIRXRSSA-N 1 2 353.466 2.478 20 30 FEEDLO Cn1cc[nH+]c1[C@H]1N(C(=O)C(=O)Nc2ccc(C#N)cc2Cl)CC1(C)C ZINC000296328652 553142162 /nfs/dbraw/zinc/14/21/62/553142162.db2.gz XOVPTDGJWAGDCQ-CQSZACIVSA-N 1 2 371.828 2.493 20 30 FEEDLO Cc1nc(C[N@@H+](C)[C@H]2CCCN(C(=O)c3cscc3C#N)CC2)no1 ZINC000503317867 561639289 /nfs/dbraw/zinc/63/92/89/561639289.db2.gz PNWXJJAGOMRITK-AWEZNQCLSA-N 1 2 359.455 2.438 20 30 FEEDLO Cc1nc(C[N@H+](C)[C@H]2CCCN(C(=O)c3cscc3C#N)CC2)no1 ZINC000503317867 561639290 /nfs/dbraw/zinc/63/92/90/561639290.db2.gz PNWXJJAGOMRITK-AWEZNQCLSA-N 1 2 359.455 2.438 20 30 FEEDLO C=CC[N@H+](Cc1ccc(Cl)s1)[C@@H](C)C(=O)N1CCN(C(C)=O)CC1 ZINC000298113268 553386000 /nfs/dbraw/zinc/38/60/00/553386000.db2.gz QMJKVYWODLCRBE-ZDUSSCGKSA-N 1 2 369.918 2.469 20 30 FEEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)[C@@H](C)C(=O)N1CCN(C(C)=O)CC1 ZINC000298113268 553386002 /nfs/dbraw/zinc/38/60/02/553386002.db2.gz QMJKVYWODLCRBE-ZDUSSCGKSA-N 1 2 369.918 2.469 20 30 FEEDLO C=CC[C@@H](CC)NC(=O)C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000298825296 553478127 /nfs/dbraw/zinc/47/81/27/553478127.db2.gz GKVIYRILGVXZFO-OAHLLOKOSA-N 1 2 356.426 2.372 20 30 FEEDLO COCC[N@H+](CC(=O)N1CCO[C@H]2CCCC[C@H]21)Cc1ccc(C#N)cc1 ZINC000299387785 553556588 /nfs/dbraw/zinc/55/65/88/553556588.db2.gz ITZGBDZGCMSYBM-UXHICEINSA-N 1 2 371.481 2.177 20 30 FEEDLO COCC[N@@H+](CC(=O)N1CCO[C@H]2CCCC[C@H]21)Cc1ccc(C#N)cc1 ZINC000299387785 553556589 /nfs/dbraw/zinc/55/65/89/553556589.db2.gz ITZGBDZGCMSYBM-UXHICEINSA-N 1 2 371.481 2.177 20 30 FEEDLO C[C@@H](c1nc(-c2ccccc2)no1)[NH+]1CCN(c2ccc(C#N)nn2)CC1 ZINC000301936586 553692924 /nfs/dbraw/zinc/69/29/24/553692924.db2.gz RMHXBTSUOMZQLS-AWEZNQCLSA-N 1 2 361.409 2.281 20 30 FEEDLO O=C(N[C@@H]1CCO[C@@H]1C1CC1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000328822705 553828006 /nfs/dbraw/zinc/82/80/06/553828006.db2.gz GHZAODOUZPBTLU-RTBURBONSA-N 1 2 359.470 2.165 20 30 FEEDLO CC(=O)N1CC[C@@H](CN(C)C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)C1 ZINC000328843015 553831068 /nfs/dbraw/zinc/83/10/68/553831068.db2.gz PJJZFKHOPBYKDE-SFHVURJKSA-N 1 2 373.501 2.286 20 30 FEEDLO CCn1cc[nH+]c1[C@H]1CCCCN1CC(=O)NC1CCN(C(C)=O)CC1 ZINC000328849785 553832494 /nfs/dbraw/zinc/83/24/94/553832494.db2.gz RLFYJVWPXVPEEO-QGZVFWFLSA-N 1 2 361.490 2.397 20 30 FEEDLO CN1CCO[C@H]2CC[N@H+](CC(=O)Nc3ccc(N4CCCCC4)nc3)C[C@H]21 ZINC000328913264 553843810 /nfs/dbraw/zinc/84/38/10/553843810.db2.gz PKVANCBRVWREFY-MSOLQXFVSA-N 1 2 373.501 2.065 20 30 FEEDLO CN1CCO[C@H]2CC[N@@H+](CC(=O)Nc3ccc(N4CCCCC4)nc3)C[C@H]21 ZINC000328913264 553843811 /nfs/dbraw/zinc/84/38/11/553843811.db2.gz PKVANCBRVWREFY-MSOLQXFVSA-N 1 2 373.501 2.065 20 30 FEEDLO C[N@@H+]1CCO[C@H]2CCN(CC(=O)Nc3ccc(N4CCCCC4)nc3)C[C@H]21 ZINC000328913264 553843812 /nfs/dbraw/zinc/84/38/12/553843812.db2.gz PKVANCBRVWREFY-MSOLQXFVSA-N 1 2 373.501 2.065 20 30 FEEDLO C[N@H+]1CCO[C@H]2CCN(CC(=O)Nc3ccc(N4CCCCC4)nc3)C[C@H]21 ZINC000328913264 553843813 /nfs/dbraw/zinc/84/38/13/553843813.db2.gz PKVANCBRVWREFY-MSOLQXFVSA-N 1 2 373.501 2.065 20 30 FEEDLO O=C(NC1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1)c1ccccc1 ZINC000329006867 553863532 /nfs/dbraw/zinc/86/35/32/553863532.db2.gz YACXCXGBHPLPGW-INIZCTEOSA-N 1 2 352.438 2.441 20 30 FEEDLO Cc1noc([C@@H](NC(=O)NCc2cn3c([nH+]2)CCCC3)C2CCOCC2)n1 ZINC000329076055 553875859 /nfs/dbraw/zinc/87/58/59/553875859.db2.gz CABPOZIEKZUJJA-INIZCTEOSA-N 1 2 374.445 2.082 20 30 FEEDLO O=C(NC[C@@H]1CCCn2cc[nH+]c21)N[C@H]1CC(=O)N(C2CCCCC2)C1 ZINC000329137564 553887322 /nfs/dbraw/zinc/88/73/22/553887322.db2.gz HRFWDUYERWRWIG-GJZGRUSLSA-N 1 2 359.474 2.198 20 30 FEEDLO Cc1csc([C@H](C)CNC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)n1 ZINC000329199232 553900869 /nfs/dbraw/zinc/90/08/69/553900869.db2.gz AWQAJZLIDAKNHN-BPLDGKMQSA-N 1 2 352.504 2.264 20 30 FEEDLO CC(=O)Nc1ncc(S(=O)(=O)N(C)Cc2cn3c([nH+]2)CCCC3)s1 ZINC000329244704 553910028 /nfs/dbraw/zinc/91/00/28/553910028.db2.gz USPLQOOATYCVAS-UHFFFAOYSA-N 1 2 369.472 2.105 20 30 FEEDLO CN(CC(=O)NCc1cccs1)C(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000329269760 553914106 /nfs/dbraw/zinc/91/41/06/553914106.db2.gz GZRUZKBAHDSLSD-MRXNPFEDSA-N 1 2 365.499 2.306 20 30 FEEDLO CN(CC(=O)NCc1cccs1)C(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000329269760 553914108 /nfs/dbraw/zinc/91/41/08/553914108.db2.gz GZRUZKBAHDSLSD-MRXNPFEDSA-N 1 2 365.499 2.306 20 30 FEEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H]([NH+]=C([O-])N1CCN(CC(F)F)CC1)C2 ZINC000329299253 553920322 /nfs/dbraw/zinc/92/03/22/553920322.db2.gz UTURYPOZMVZFOR-CYBMUJFWSA-N 1 2 369.460 2.292 20 30 FEEDLO Cc1[nH+]ccn1C[C@H](C)C[NH+]=C([O-])N1CCC(C(=O)N2CCCC2)CC1 ZINC000329299116 553920474 /nfs/dbraw/zinc/92/04/74/553920474.db2.gz URPVXBAISJIYLQ-OAHLLOKOSA-N 1 2 361.490 2.076 20 30 FEEDLO Cc1cc(NC(=O)NCC[NH+]2CCOCC2)cnc1N1CCCC[C@H]1C ZINC000329314535 553923244 /nfs/dbraw/zinc/92/32/44/553923244.db2.gz HAJKOWHHBGIKAY-MRXNPFEDSA-N 1 2 361.490 2.427 20 30 FEEDLO Cc1nnc(CNC(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)n1C ZINC000329324540 553925172 /nfs/dbraw/zinc/92/51/72/553925172.db2.gz SMOYPOMELSCAOB-KBPBESRZSA-N 1 2 372.473 2.259 20 30 FEEDLO Cc1cc(N2CCC(NC(=O)[C@@H]3COCC[N@@H+]3C3CCCC3)CC2)n[nH]1 ZINC000329339003 553928297 /nfs/dbraw/zinc/92/82/97/553928297.db2.gz NJSHLVTYEGEZSN-KRWDZBQOSA-N 1 2 361.490 2.287 20 30 FEEDLO Cc1cc(N2CCC(NC(=O)[C@@H]3COCC[N@H+]3C3CCCC3)CC2)n[nH]1 ZINC000329339003 553928299 /nfs/dbraw/zinc/92/82/99/553928299.db2.gz NJSHLVTYEGEZSN-KRWDZBQOSA-N 1 2 361.490 2.287 20 30 FEEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)N[C@@H]3CCCOc4cc(Cl)ccc43)C[C@@H]21 ZINC000329357074 553931541 /nfs/dbraw/zinc/93/15/41/553931541.db2.gz FYMRXJOIWREHEY-HLLBOEOZSA-N 1 2 365.861 2.483 20 30 FEEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)N[C@@H]3CCCOc4cc(Cl)ccc43)C[C@@H]21 ZINC000329357074 553931544 /nfs/dbraw/zinc/93/15/44/553931544.db2.gz FYMRXJOIWREHEY-HLLBOEOZSA-N 1 2 365.861 2.483 20 30 FEEDLO CC[N@@H+]1CCOC[C@H]1C(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000329389723 553936995 /nfs/dbraw/zinc/93/69/95/553936995.db2.gz RAXHAANQOGRTGO-SFHVURJKSA-N 1 2 370.453 2.106 20 30 FEEDLO CC[N@H+]1CCOC[C@H]1C(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000329389723 553937003 /nfs/dbraw/zinc/93/70/03/553937003.db2.gz RAXHAANQOGRTGO-SFHVURJKSA-N 1 2 370.453 2.106 20 30 FEEDLO Cc1nnc([C@H]2CCC[N@@H+]([C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)[nH]1 ZINC000329427961 553944217 /nfs/dbraw/zinc/94/42/17/553944217.db2.gz JKFHRPQIKCKKPM-FUHWJXTLSA-N 1 2 364.453 2.360 20 30 FEEDLO Cc1nnc([C@H]2CCC[N@H+]([C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)[nH]1 ZINC000329427961 553944223 /nfs/dbraw/zinc/94/42/23/553944223.db2.gz JKFHRPQIKCKKPM-FUHWJXTLSA-N 1 2 364.453 2.360 20 30 FEEDLO Cc1nc([C@H]2CCC[N@H+]([C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)n[nH]1 ZINC000329427961 553944243 /nfs/dbraw/zinc/94/42/43/553944243.db2.gz JKFHRPQIKCKKPM-FUHWJXTLSA-N 1 2 364.453 2.360 20 30 FEEDLO C[C@@H]1CCN(C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)C[C@@H](C)C1 ZINC000329443279 553947739 /nfs/dbraw/zinc/94/77/39/553947739.db2.gz NKPCMHREUGZKBU-CVEARBPZSA-N 1 2 373.501 2.383 20 30 FEEDLO C[C@@H]1N(C(=O)N[C@H](c2[nH+]ccn2C)C2CCOCC2)CCOC1(C)C ZINC000329480760 553954396 /nfs/dbraw/zinc/95/43/96/553954396.db2.gz PHOHWRUHAXYYNK-ZFWWWQNUSA-N 1 2 350.463 2.301 20 30 FEEDLO C[C@@H](NC(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1)c1nc(C(F)(F)F)cs1 ZINC000329637162 553980810 /nfs/dbraw/zinc/98/08/10/553980810.db2.gz YMIBZMNODYPILW-KXUCPTDWSA-N 1 2 364.393 2.152 20 30 FEEDLO C[C@@H](NC(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1)c1nc(C(F)(F)F)cs1 ZINC000329637162 553980811 /nfs/dbraw/zinc/98/08/11/553980811.db2.gz YMIBZMNODYPILW-KXUCPTDWSA-N 1 2 364.393 2.152 20 30 FEEDLO CC(C)(C)[C@@H]1C[C@@H](NC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)CCO1 ZINC000329651803 553982871 /nfs/dbraw/zinc/98/28/71/553982871.db2.gz KLQHKXJXQVDMAO-ULQDDVLXSA-N 1 2 353.507 2.291 20 30 FEEDLO C[C@@H](C(=O)Nc1ccccc1OC(F)F)[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000329692530 553990072 /nfs/dbraw/zinc/99/00/72/553990072.db2.gz WONHBOSRBRWJTL-STQMWFEESA-N 1 2 355.385 2.281 20 30 FEEDLO C[C@@H](C(=O)Nc1ccccc1OC(F)F)[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000329692530 553990075 /nfs/dbraw/zinc/99/00/75/553990075.db2.gz WONHBOSRBRWJTL-STQMWFEESA-N 1 2 355.385 2.281 20 30 FEEDLO C[C@H](C(=O)NC1CC1)N1CC[NH+]([C@H]2CCCN(CC(C)(C)C)C2=O)CC1 ZINC000329741275 553997849 /nfs/dbraw/zinc/99/78/49/553997849.db2.gz OMGIFVVAGFPBLC-WBVHZDCISA-N 1 2 364.534 2.149 20 30 FEEDLO C[C@H](NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1)c1ccc2c(c1)OCO2 ZINC000329769607 554003098 /nfs/dbraw/zinc/00/30/98/554003098.db2.gz IAQZCZGMOIAEKT-HOCLYGCPSA-N 1 2 361.442 2.187 20 30 FEEDLO CC1(C)C[N@H+](CC(=O)Nc2cc(-n3cnnn3)ccc2F)[C@@H]1[C@@H]1CCCO1 ZINC000329797128 554007393 /nfs/dbraw/zinc/00/73/93/554007393.db2.gz XDACELRYFWIQBP-DOTOQJQBSA-N 1 2 374.420 2.279 20 30 FEEDLO CC1(C)C[N@@H+](CC(=O)Nc2cc(-n3cnnn3)ccc2F)[C@@H]1[C@@H]1CCCO1 ZINC000329797128 554007397 /nfs/dbraw/zinc/00/73/97/554007397.db2.gz XDACELRYFWIQBP-DOTOQJQBSA-N 1 2 374.420 2.279 20 30 FEEDLO CC(C)c1nnc(CNC(=O)N2CC[NH+](Cc3cccnc3)CC2)s1 ZINC000329851732 554018788 /nfs/dbraw/zinc/01/87/88/554018788.db2.gz UAKFIZLHODKOIJ-UHFFFAOYSA-N 1 2 360.487 2.288 20 30 FEEDLO COc1cccc(NC(=O)C[NH+]2CCN(c3ccccc3C#N)CC2)c1 ZINC000507294547 561723962 /nfs/dbraw/zinc/72/39/62/561723962.db2.gz WWBDGWHCEINUFN-UHFFFAOYSA-N 1 2 350.422 2.328 20 30 FEEDLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N1CCO[C@]2(CCOC2)C1 ZINC000329910593 554029700 /nfs/dbraw/zinc/02/97/00/554029700.db2.gz VYESHYOFDFBVCV-QGZVFWFLSA-N 1 2 366.487 2.166 20 30 FEEDLO CCN1CCN([C@@H](C)C(=O)Nc2c(C)nn(C)c2C)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329934115 554034876 /nfs/dbraw/zinc/03/48/76/554034876.db2.gz JPKZIXSRMJGGRU-LSDHHAIUSA-N 1 2 359.478 2.115 20 30 FEEDLO C[C@@H](C[NH+]1CCOCC1)Nc1nc2c(c(C#N)c1C#N)CCCCCC2 ZINC000330033630 554052587 /nfs/dbraw/zinc/05/25/87/554052587.db2.gz AJHCINYQLGCQJO-HNNXBMFYSA-N 1 2 353.470 2.617 20 30 FEEDLO Cn1cc([C@@H]2CSCCN2C(=O)NC[C@H]2CCCn3cc[nH+]c32)cn1 ZINC000330058797 554056472 /nfs/dbraw/zinc/05/64/72/554056472.db2.gz ZOPNBPWCZQVZSR-HIFRSBDPSA-N 1 2 360.487 2.198 20 30 FEEDLO CN(C)C(=O)c1cccc(NC(=O)N[C@@H]2CCO[C@H](c3c[nH+]cn3C)C2)c1 ZINC000330066702 554058078 /nfs/dbraw/zinc/05/80/78/554058078.db2.gz TVNLAVGGUZAMEI-WBVHZDCISA-N 1 2 371.441 2.177 20 30 FEEDLO C[N@@H+]1CCO[C@H](CNC(=O)N[C@@H]2CC(C)(C)Oc3cc(F)ccc32)C1 ZINC000330092838 554063448 /nfs/dbraw/zinc/06/34/48/554063448.db2.gz ZCBJOILSMBHSNS-UKRRQHHQSA-N 1 2 351.422 2.262 20 30 FEEDLO C[N@H+]1CCO[C@H](CNC(=O)N[C@@H]2CC(C)(C)Oc3cc(F)ccc32)C1 ZINC000330092838 554063451 /nfs/dbraw/zinc/06/34/51/554063451.db2.gz ZCBJOILSMBHSNS-UKRRQHHQSA-N 1 2 351.422 2.262 20 30 FEEDLO Cc1nccc(NC(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)n1 ZINC000330161605 554076457 /nfs/dbraw/zinc/07/64/57/554076457.db2.gz TXCVTKOYHTVKRV-BETUJISGSA-N 1 2 356.430 2.320 20 30 FEEDLO CC[C@H](NC(=O)N[C@@H]1CCO[C@H](c2c[nH+]cn2C)C1)C1CCOCC1 ZINC000330341005 554108544 /nfs/dbraw/zinc/10/85/44/554108544.db2.gz YRLSXZPLYHGLIC-VYDXJSESSA-N 1 2 350.463 2.349 20 30 FEEDLO CCN1CCN(C(=O)Nc2ccc3c(c2)N(C)CCO3)C[C@H]1c1[nH]cc[nH+]1 ZINC000330351483 554110153 /nfs/dbraw/zinc/11/01/53/554110153.db2.gz MHFPGEZIFSSJDP-INIZCTEOSA-N 1 2 370.457 2.163 20 30 FEEDLO C[C@H]1C[N@H+](C)[C@@H](C)CN1S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000507887255 561744573 /nfs/dbraw/zinc/74/45/73/561744573.db2.gz JOOZFGJYAYRUGF-QWRGUYRKSA-N 1 2 361.389 2.290 20 30 FEEDLO C[C@H]1C[N@@H+](C)[C@@H](C)CN1S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000507887255 561744575 /nfs/dbraw/zinc/74/45/75/561744575.db2.gz JOOZFGJYAYRUGF-QWRGUYRKSA-N 1 2 361.389 2.290 20 30 FEEDLO CC(C)CNC(=O)NC(=O)[C@H](C)[NH+]1CCN(c2cccc(F)c2F)CC1 ZINC000330800890 554173394 /nfs/dbraw/zinc/17/33/94/554173394.db2.gz IRPOKHNUKHMSEN-ZDUSSCGKSA-N 1 2 368.428 2.162 20 30 FEEDLO C=CCn1c([C@H](C)CC)nnc1N1CC[NH+](CC(=O)N[C@@H](C)CC)CC1 ZINC000508825340 561774047 /nfs/dbraw/zinc/77/40/47/561774047.db2.gz JYQZLNGBCVLBLE-CVEARBPZSA-N 1 2 362.522 2.014 20 30 FEEDLO CC1(C)C[S@](=O)CC[N@@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000331351547 554249937 /nfs/dbraw/zinc/24/99/37/554249937.db2.gz OFCYARIAEIULLT-HSZRJFAPSA-N 1 2 353.875 2.383 20 30 FEEDLO CC1(C)C[S@](=O)CC[N@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000331351547 554249939 /nfs/dbraw/zinc/24/99/39/554249939.db2.gz OFCYARIAEIULLT-HSZRJFAPSA-N 1 2 353.875 2.383 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)N2CC[NH+](CCc3cccs3)CC2)s1 ZINC000331816356 554324503 /nfs/dbraw/zinc/32/45/03/554324503.db2.gz GJPPAAASQWNWHA-UHFFFAOYSA-N 1 2 367.521 2.230 20 30 FEEDLO Cc1oc(C#N)cc1C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1 ZINC000331839480 554328007 /nfs/dbraw/zinc/32/80/07/554328007.db2.gz CZFCXEGWEHVDSH-CHWSQXEVSA-N 1 2 354.410 2.398 20 30 FEEDLO CNc1cc2c(nn1)CC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c1ccccc1)C2 ZINC000609270063 554354551 /nfs/dbraw/zinc/35/45/51/554354551.db2.gz AVNPTTSNBPGYQP-HNNXBMFYSA-N 1 2 364.453 2.212 20 30 FEEDLO CNc1cc2c(nn1)CC[N@H+]([C@@H](C)C(=O)N(CCC#N)c1ccccc1)C2 ZINC000609270063 554354555 /nfs/dbraw/zinc/35/45/55/554354555.db2.gz AVNPTTSNBPGYQP-HNNXBMFYSA-N 1 2 364.453 2.212 20 30 FEEDLO C=CC[N@@H+](Cc1oncc1C(=O)OC)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000509669558 561810013 /nfs/dbraw/zinc/81/00/13/561810013.db2.gz HGAICCOOPQGKJX-ZDUSSCGKSA-N 1 2 368.397 2.186 20 30 FEEDLO C=CC[N@H+](Cc1oncc1C(=O)OC)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000509669558 561810015 /nfs/dbraw/zinc/81/00/15/561810015.db2.gz HGAICCOOPQGKJX-ZDUSSCGKSA-N 1 2 368.397 2.186 20 30 FEEDLO CC(C)Oc1ccc(NC(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)cc1C#N ZINC000332582002 554476657 /nfs/dbraw/zinc/47/66/57/554476657.db2.gz GEBAWGXVWLHYID-FUHWJXTLSA-N 1 2 358.442 2.282 20 30 FEEDLO CC(C)Oc1ccc(NC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)cc1C#N ZINC000332582002 554476661 /nfs/dbraw/zinc/47/66/61/554476661.db2.gz GEBAWGXVWLHYID-FUHWJXTLSA-N 1 2 358.442 2.282 20 30 FEEDLO Cc1cccc(S(=O)(=O)N2CC([N@H+](C)Cc3ccccc3)C2)c1C#N ZINC000510520124 561837483 /nfs/dbraw/zinc/83/74/83/561837483.db2.gz XHLUOZVGJKVULO-UHFFFAOYSA-N 1 2 355.463 2.372 20 30 FEEDLO Cc1cccc(S(=O)(=O)N2CC([N@@H+](C)Cc3ccccc3)C2)c1C#N ZINC000510520124 561837484 /nfs/dbraw/zinc/83/74/84/561837484.db2.gz XHLUOZVGJKVULO-UHFFFAOYSA-N 1 2 355.463 2.372 20 30 FEEDLO CCN(Cc1ccc(OC)c(OC)c1)C(=O)C[NH+]1CCC(F)(C#N)CC1 ZINC000510938723 561851460 /nfs/dbraw/zinc/85/14/60/561851460.db2.gz UHDKGUKJHCMRLH-UHFFFAOYSA-N 1 2 363.433 2.380 20 30 FEEDLO Cc1nn(C)c(C)c1[C@@H]1COCC[N@@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000362344353 554965567 /nfs/dbraw/zinc/96/55/67/554965567.db2.gz YQBLVUYLTMRUOG-SFHVURJKSA-N 1 2 367.453 2.311 20 30 FEEDLO Cc1nn(C)c(C)c1[C@@H]1COCC[N@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000362344353 554965568 /nfs/dbraw/zinc/96/55/68/554965568.db2.gz YQBLVUYLTMRUOG-SFHVURJKSA-N 1 2 367.453 2.311 20 30 FEEDLO C=CCNC(=O)NC(=O)C[N@@H+](C)[C@H](c1ccc(F)cc1)c1cccnc1 ZINC000363018091 555011310 /nfs/dbraw/zinc/01/13/10/555011310.db2.gz XLNGLXQRAKKYEP-GOSISDBHSA-N 1 2 356.401 2.254 20 30 FEEDLO C=CCNC(=O)NC(=O)C[N@H+](C)[C@H](c1ccc(F)cc1)c1cccnc1 ZINC000363018091 555011313 /nfs/dbraw/zinc/01/13/13/555011313.db2.gz XLNGLXQRAKKYEP-GOSISDBHSA-N 1 2 356.401 2.254 20 30 FEEDLO N#Cc1ccc(N2CCCN(C(=O)c3ccnc(-n4cc[nH+]c4)c3)CC2)cc1 ZINC000363082752 555026365 /nfs/dbraw/zinc/02/63/65/555026365.db2.gz BTRNZVQQJPMCOR-UHFFFAOYSA-N 1 2 372.432 2.491 20 30 FEEDLO CCCC(=O)N1CCC[N@H+](CC(=O)N(CCC#N)c2ccccc2)CC1 ZINC000363643118 555153639 /nfs/dbraw/zinc/15/36/39/555153639.db2.gz KNTFUDMAOLZGMV-UHFFFAOYSA-N 1 2 356.470 2.268 20 30 FEEDLO CCCC(=O)N1CCC[N@@H+](CC(=O)N(CCC#N)c2ccccc2)CC1 ZINC000363643118 555153640 /nfs/dbraw/zinc/15/36/40/555153640.db2.gz KNTFUDMAOLZGMV-UHFFFAOYSA-N 1 2 356.470 2.268 20 30 FEEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)NC(=O)NCC(C)C ZINC000512177081 561894859 /nfs/dbraw/zinc/89/48/59/561894859.db2.gz CVXHHWQIMOOLLV-AWEZNQCLSA-N 1 2 351.447 2.020 20 30 FEEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)NC(=O)NCC(C)C ZINC000512177081 561894860 /nfs/dbraw/zinc/89/48/60/561894860.db2.gz CVXHHWQIMOOLLV-AWEZNQCLSA-N 1 2 351.447 2.020 20 30 FEEDLO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCc3[nH]nc(C(F)(F)F)c3C2)cc1 ZINC000364366846 555300070 /nfs/dbraw/zinc/30/00/70/555300070.db2.gz QKHTWGIEZOJSRS-LBPRGKRZSA-N 1 2 366.343 2.098 20 30 FEEDLO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCc3[nH]nc(C(F)(F)F)c3C2)cc1 ZINC000364366846 555300073 /nfs/dbraw/zinc/30/00/73/555300073.db2.gz QKHTWGIEZOJSRS-LBPRGKRZSA-N 1 2 366.343 2.098 20 30 FEEDLO N#C[C@@H]1C[N@@H+](CCOCC(F)(F)C(F)F)C[C@@]12C(=O)Nc1ccccc12 ZINC000364897849 555430149 /nfs/dbraw/zinc/43/01/49/555430149.db2.gz UFXOPFQEGRVKKY-BDJLRTHQSA-N 1 2 371.334 2.249 20 30 FEEDLO N#C[C@@H]1C[N@H+](CCOCC(F)(F)C(F)F)C[C@@]12C(=O)Nc1ccccc12 ZINC000364897849 555430151 /nfs/dbraw/zinc/43/01/51/555430151.db2.gz UFXOPFQEGRVKKY-BDJLRTHQSA-N 1 2 371.334 2.249 20 30 FEEDLO C#CC[N@H+](CC(=O)N1CCC1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000365209678 555511781 /nfs/dbraw/zinc/51/17/81/555511781.db2.gz WWAYCERSJZXSBX-OAHLLOKOSA-N 1 2 363.255 2.440 20 30 FEEDLO C#CC[N@@H+](CC(=O)N1CCC1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000365209678 555511786 /nfs/dbraw/zinc/51/17/86/555511786.db2.gz WWAYCERSJZXSBX-OAHLLOKOSA-N 1 2 363.255 2.440 20 30 FEEDLO C=CCOc1ccccc1C[N@@H+](C)CC(=O)N1CCC(C(=O)OCC)CC1 ZINC000513145044 561926908 /nfs/dbraw/zinc/92/69/08/561926908.db2.gz PMTPZTWJJVMBJN-UHFFFAOYSA-N 1 2 374.481 2.485 20 30 FEEDLO C=CCOc1ccccc1C[N@H+](C)CC(=O)N1CCC(C(=O)OCC)CC1 ZINC000513145044 561926909 /nfs/dbraw/zinc/92/69/09/561926909.db2.gz PMTPZTWJJVMBJN-UHFFFAOYSA-N 1 2 374.481 2.485 20 30 FEEDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000365469562 555584237 /nfs/dbraw/zinc/58/42/37/555584237.db2.gz YMMUGPGSGSACEA-CYBMUJFWSA-N 1 2 371.828 2.290 20 30 FEEDLO Cn1c[nH+]cc1CCC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000366364893 555822815 /nfs/dbraw/zinc/82/28/15/555822815.db2.gz AOTJQLIPXJNJMV-HNNXBMFYSA-N 1 2 355.417 2.149 20 30 FEEDLO C=CC[C@H]1N(C(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)CCCC1(C)C ZINC000514610457 561969919 /nfs/dbraw/zinc/96/99/19/561969919.db2.gz UUUYZINSWZQPKR-QGZVFWFLSA-N 1 2 372.513 2.471 20 30 FEEDLO N#CC1(CNC(=O)N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)CC1 ZINC000514705166 561975164 /nfs/dbraw/zinc/97/51/64/561975164.db2.gz NGFFBAQWENDNFL-UHFFFAOYSA-N 1 2 362.861 2.350 20 30 FEEDLO C=CCc1cc(C(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)cc(OC)c1OC ZINC000367745717 556128593 /nfs/dbraw/zinc/12/85/93/556128593.db2.gz HVUNYZZOAAYSAQ-YJBOKZPZSA-N 1 2 374.481 2.368 20 30 FEEDLO COc1cc[nH+]cc1CNC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000367796961 556141681 /nfs/dbraw/zinc/14/16/81/556141681.db2.gz ILIGGZMCIAVICU-CQSZACIVSA-N 1 2 354.385 2.244 20 30 FEEDLO N#Cc1ccc(N2CC[NH+](CCNC(=O)c3ccccc3F)CC2)c(F)c1 ZINC000515931832 562025987 /nfs/dbraw/zinc/02/59/87/562025987.db2.gz YDMUKJHKNCPDIL-UHFFFAOYSA-N 1 2 370.403 2.388 20 30 FEEDLO Cc1oc(NC(=O)C[N@@H+]2CCC[C@H](C(=O)N3CCCCC3)C2)c(C#N)c1C ZINC000369386056 556586998 /nfs/dbraw/zinc/58/69/98/556586998.db2.gz OGQMLXPBOQZOPE-INIZCTEOSA-N 1 2 372.469 2.431 20 30 FEEDLO Cc1oc(NC(=O)C[N@H+]2CCC[C@H](C(=O)N3CCCCC3)C2)c(C#N)c1C ZINC000369386056 556586999 /nfs/dbraw/zinc/58/69/99/556586999.db2.gz OGQMLXPBOQZOPE-INIZCTEOSA-N 1 2 372.469 2.431 20 30 FEEDLO CC(C)Cn1cnnc1[C@H]1CCC[N@@H+]1C[C@H](O)COc1ccc(C#N)cc1 ZINC000369543389 556626316 /nfs/dbraw/zinc/62/63/16/556626316.db2.gz GEBYAEIVQSYXIZ-PKOBYXMFSA-N 1 2 369.469 2.383 20 30 FEEDLO CC(C)Cn1cnnc1[C@H]1CCC[N@H+]1C[C@H](O)COc1ccc(C#N)cc1 ZINC000369543389 556626320 /nfs/dbraw/zinc/62/63/20/556626320.db2.gz GEBYAEIVQSYXIZ-PKOBYXMFSA-N 1 2 369.469 2.383 20 30 FEEDLO C[C@@H](CC(=O)N1CSC[C@H]1C(=O)Nc1ccc(C#N)cc1)n1cc[nH+]c1 ZINC000516930757 562065517 /nfs/dbraw/zinc/06/55/17/562065517.db2.gz ZMLZRJORDBHPQP-BBRMVZONSA-N 1 2 369.450 2.246 20 30 FEEDLO C=CCOc1cccc(NC(=O)C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)c1 ZINC000371324103 557146468 /nfs/dbraw/zinc/14/64/68/557146468.db2.gz UNLYTKDBXQUJLI-LJQANCHMSA-N 1 2 365.433 2.493 20 30 FEEDLO C=CCOc1cccc(NC(=O)C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)c1 ZINC000371324103 557146469 /nfs/dbraw/zinc/14/64/69/557146469.db2.gz UNLYTKDBXQUJLI-LJQANCHMSA-N 1 2 365.433 2.493 20 30 FEEDLO Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000371444203 557189216 /nfs/dbraw/zinc/18/92/16/557189216.db2.gz WSUKVZWNDQQEFE-INIZCTEOSA-N 1 2 363.425 2.237 20 30 FEEDLO CCOC(=O)c1ccc(C[N@@H+]2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)o1 ZINC000371470507 557191271 /nfs/dbraw/zinc/19/12/71/557191271.db2.gz LYBZEGOAPFPZSD-RBZFPXEDSA-N 1 2 365.389 2.302 20 30 FEEDLO CCOC(=O)c1ccc(C[N@H+]2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)o1 ZINC000371470507 557191276 /nfs/dbraw/zinc/19/12/76/557191276.db2.gz LYBZEGOAPFPZSD-RBZFPXEDSA-N 1 2 365.389 2.302 20 30 FEEDLO COc1cc(C#N)ccc1S(=O)(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C ZINC000519081632 562124551 /nfs/dbraw/zinc/12/45/51/562124551.db2.gz NHHIPANMSVPJHI-OAHLLOKOSA-N 1 2 360.439 2.072 20 30 FEEDLO Cc1noc([C@@H]([NH2+][C@H](C)C(=O)Nc2ccccc2C#N)C2CCOCC2)n1 ZINC000372388921 557457503 /nfs/dbraw/zinc/45/75/03/557457503.db2.gz GJHZNEVWMULANF-PXAZEXFGSA-N 1 2 369.425 2.334 20 30 FEEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000372474834 557480381 /nfs/dbraw/zinc/48/03/81/557480381.db2.gz PVJSSIVFIIFBEW-LSDHHAIUSA-N 1 2 370.482 2.415 20 30 FEEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CC[C@@H](n2cncn2)C1 ZINC000372474834 557480382 /nfs/dbraw/zinc/48/03/82/557480382.db2.gz PVJSSIVFIIFBEW-LSDHHAIUSA-N 1 2 370.482 2.415 20 30 FEEDLO Cc1cc(NC(=O)NCc2ccn3cc[nH+]c3c2)nn1-c1cccc(C#N)c1 ZINC000372479548 557481298 /nfs/dbraw/zinc/48/12/98/557481298.db2.gz DXADUHAYYAQYDF-UHFFFAOYSA-N 1 2 371.404 3.022 20 30 FEEDLO Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[NH+]1CCN(C(=O)CC#N)CC1 ZINC000519420794 562131540 /nfs/dbraw/zinc/13/15/40/562131540.db2.gz QDUQAWLUQJPXLZ-GOSISDBHSA-N 1 2 373.497 2.090 20 30 FEEDLO Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1CNc1ncc2c(c1C#N)CCC2 ZINC000519596577 562136467 /nfs/dbraw/zinc/13/64/67/562136467.db2.gz KDPBRGFQHPSPGY-GJZGRUSLSA-N 1 2 354.433 2.200 20 30 FEEDLO N#Cc1ccc(N2CCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)CC2)c(Cl)c1 ZINC000373118705 557632242 /nfs/dbraw/zinc/63/22/42/557632242.db2.gz UYYKVMBAVRFGLC-OAHLLOKOSA-N 1 2 369.856 2.319 20 30 FEEDLO N#Cc1ccc(C2=CC[N@H+](Cc3nnnn3CC3CCOCC3)CC2)cc1 ZINC000373116926 557632267 /nfs/dbraw/zinc/63/22/67/557632267.db2.gz APRGRWOJMBLAMZ-UHFFFAOYSA-N 1 2 364.453 2.261 20 30 FEEDLO N#Cc1ccc(C2=CC[N@@H+](Cc3nnnn3CC3CCOCC3)CC2)cc1 ZINC000373116926 557632268 /nfs/dbraw/zinc/63/22/68/557632268.db2.gz APRGRWOJMBLAMZ-UHFFFAOYSA-N 1 2 364.453 2.261 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC1CC[NH+](Cc2cscn2)CC1 ZINC000373890256 557780901 /nfs/dbraw/zinc/78/09/01/557780901.db2.gz LPKIPETVRSUNTM-YOEHRIQHSA-N 1 2 364.515 2.388 20 30 FEEDLO COc1ccccc1[C@@H]1CN(C(=O)Cc2cccc(OCC#N)c2)CC[NH2+]1 ZINC000374326814 557866223 /nfs/dbraw/zinc/86/62/23/557866223.db2.gz PTZAXTAMNUEEDR-IBGZPJMESA-N 1 2 365.433 2.313 20 30 FEEDLO C=C[C@](C)(CCOC)C(=O)N1CCC[C@@H]([N@H+](C)Cc2noc(C)n2)CC1 ZINC000375345744 558013026 /nfs/dbraw/zinc/01/30/26/558013026.db2.gz RBRKGNHSIVAUGY-VQIMIIECSA-N 1 2 364.490 2.420 20 30 FEEDLO C=C[C@](C)(CCOC)C(=O)N1CCC[C@@H]([N@@H+](C)Cc2noc(C)n2)CC1 ZINC000375345744 558013027 /nfs/dbraw/zinc/01/30/27/558013027.db2.gz RBRKGNHSIVAUGY-VQIMIIECSA-N 1 2 364.490 2.420 20 30 FEEDLO Cc1cc(S(=O)(=O)N2CCCN(c3cccc[nH+]3)CC2)ccc1C#N ZINC000375525824 558042914 /nfs/dbraw/zinc/04/29/14/558042914.db2.gz XRHIWFZCSLKQJY-UHFFFAOYSA-N 1 2 356.451 2.163 20 30 FEEDLO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN(C(=O)CC(C)(C)C#N)C2)CC1 ZINC000375823850 558085458 /nfs/dbraw/zinc/08/54/58/558085458.db2.gz KPQOQMOVEGNBIM-HNNXBMFYSA-N 1 2 364.490 2.080 20 30 FEEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(Oc2cnccn2)CC1 ZINC000376032075 558116602 /nfs/dbraw/zinc/11/66/02/558116602.db2.gz KHEGDKXUFDYEBH-AWEZNQCLSA-N 1 2 351.410 2.219 20 30 FEEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000376780660 558220724 /nfs/dbraw/zinc/22/07/24/558220724.db2.gz WADMMISOPZQESF-QRQLOZEOSA-N 1 2 356.470 2.188 20 30 FEEDLO C#CCC1(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)CCCCC1 ZINC000376984439 558247867 /nfs/dbraw/zinc/24/78/67/558247867.db2.gz ANQWBHLDXLCGEE-IBGZPJMESA-N 1 2 350.528 2.284 20 30 FEEDLO C=CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc3[nH+]c(C)cn3c2)c1 ZINC000522251769 562195098 /nfs/dbraw/zinc/19/50/98/562195098.db2.gz SVSSPFMBKJAHKW-UHFFFAOYSA-N 1 2 370.434 2.359 20 30 FEEDLO CC[N@@H+]1CCO[C@@H](c2noc([C@H]3CCN(c4ccc(C#N)cc4F)C3)n2)C1 ZINC000377518837 558356387 /nfs/dbraw/zinc/35/63/87/558356387.db2.gz ZJOJHUBPVYAFTK-WMLDXEAASA-N 1 2 371.416 2.467 20 30 FEEDLO CC[N@H+]1CCO[C@@H](c2noc([C@H]3CCN(c4ccc(C#N)cc4F)C3)n2)C1 ZINC000377518837 558356390 /nfs/dbraw/zinc/35/63/90/558356390.db2.gz ZJOJHUBPVYAFTK-WMLDXEAASA-N 1 2 371.416 2.467 20 30 FEEDLO C=C(C)CN(C)C(=O)C(=O)N1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000410892675 558820175 /nfs/dbraw/zinc/82/01/75/558820175.db2.gz OXGXTKWXZYFFNJ-INIZCTEOSA-N 1 2 354.454 2.370 20 30 FEEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H]1CCN(c2cc(C)nn2C)C1=O ZINC000411193568 558851531 /nfs/dbraw/zinc/85/15/31/558851531.db2.gz OFZHWZNCXYLQJZ-KRWDZBQOSA-N 1 2 369.425 2.430 20 30 FEEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@H]1CCN(c2cc(C)nn2C)C1=O ZINC000411193568 558851533 /nfs/dbraw/zinc/85/15/33/558851533.db2.gz OFZHWZNCXYLQJZ-KRWDZBQOSA-N 1 2 369.425 2.430 20 30 FEEDLO COc1cc(OC)cc([C@@H](Nc2cc(C#N)ncn2)c2[nH+]ccn2C)c1 ZINC000525888625 562258613 /nfs/dbraw/zinc/25/86/13/562258613.db2.gz XGRPVUSRXRRIFX-QGZVFWFLSA-N 1 2 350.382 2.300 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2C[C@H](O)C[C@H]2c2ccccc2)cc1 ZINC000411958037 558995121 /nfs/dbraw/zinc/99/51/21/558995121.db2.gz XBBQRVYBMFHTRA-MJGOQNOKSA-N 1 2 356.447 2.140 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2C[C@H](O)C[C@H]2c2ccccc2)cc1 ZINC000411958037 558995122 /nfs/dbraw/zinc/99/51/22/558995122.db2.gz XBBQRVYBMFHTRA-MJGOQNOKSA-N 1 2 356.447 2.140 20 30 FEEDLO C[N@H+](CCC#N)C[C@@H](O)Cn1nc(-c2cccs2)c2ccccc2c1=O ZINC000414114737 559149702 /nfs/dbraw/zinc/14/97/02/559149702.db2.gz UBOHKGAGHUGSSB-CQSZACIVSA-N 1 2 368.462 2.331 20 30 FEEDLO C[N@@H+](CCC#N)C[C@@H](O)Cn1nc(-c2cccs2)c2ccccc2c1=O ZINC000414114737 559149703 /nfs/dbraw/zinc/14/97/03/559149703.db2.gz UBOHKGAGHUGSSB-CQSZACIVSA-N 1 2 368.462 2.331 20 30 FEEDLO C[N@H+](CCC#N)C[C@H](O)CSc1n[nH]c(-c2ccc3c(c2)CCC3)n1 ZINC000414121682 559150049 /nfs/dbraw/zinc/15/00/49/559150049.db2.gz ASXIKGSINLWYBL-INIZCTEOSA-N 1 2 357.483 2.259 20 30 FEEDLO C[N@@H+](CCC#N)C[C@H](O)CSc1n[nH]c(-c2ccc3c(c2)CCC3)n1 ZINC000414121682 559150051 /nfs/dbraw/zinc/15/00/51/559150051.db2.gz ASXIKGSINLWYBL-INIZCTEOSA-N 1 2 357.483 2.259 20 30 FEEDLO CC(C)c1ccc([C@@]2(C)CC(=O)N(C[C@H](O)C[N@H+](C)CCC#N)C2=O)cc1 ZINC000414120847 559150109 /nfs/dbraw/zinc/15/01/09/559150109.db2.gz DVNAZHBKWFRZGU-WIYYLYMNSA-N 1 2 371.481 2.033 20 30 FEEDLO CC(C)c1ccc([C@@]2(C)CC(=O)N(C[C@H](O)C[N@@H+](C)CCC#N)C2=O)cc1 ZINC000414120847 559150110 /nfs/dbraw/zinc/15/01/10/559150110.db2.gz DVNAZHBKWFRZGU-WIYYLYMNSA-N 1 2 371.481 2.033 20 30 FEEDLO COc1ccc(-n2ccnc2SC[C@H](O)C[N@H+](C)CCC#N)c(C)c1 ZINC000414156367 559150994 /nfs/dbraw/zinc/15/09/94/559150994.db2.gz WIJSQAOEDLZANO-OAHLLOKOSA-N 1 2 360.483 2.488 20 30 FEEDLO COc1ccc(-n2ccnc2SC[C@H](O)C[N@@H+](C)CCC#N)c(C)c1 ZINC000414156367 559150995 /nfs/dbraw/zinc/15/09/95/559150995.db2.gz WIJSQAOEDLZANO-OAHLLOKOSA-N 1 2 360.483 2.488 20 30 FEEDLO CN(C)C(=O)c1ccccc1C[N@@H+]1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000417788885 559376506 /nfs/dbraw/zinc/37/65/06/559376506.db2.gz GFJFLMGJLTXPOM-ZHRRBRCNSA-N 1 2 374.444 2.234 20 30 FEEDLO CN(C)C(=O)c1ccccc1C[N@H+]1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000417788885 559376507 /nfs/dbraw/zinc/37/65/07/559376507.db2.gz GFJFLMGJLTXPOM-ZHRRBRCNSA-N 1 2 374.444 2.234 20 30 FEEDLO Cn1c2ccc(NC(=O)C(=O)NCC3(C#N)CCC3)cc2[nH+]c1C1CC1 ZINC000419810882 559460594 /nfs/dbraw/zinc/46/05/94/559460594.db2.gz BPZMNBPJNJNQKM-UHFFFAOYSA-N 1 2 351.410 2.199 20 30 FEEDLO C=CCC[C@H]1NC(=O)N([C@H](c2[nH+]ccn2C)c2ccc(OC)cc2)C1=O ZINC000419930358 559465136 /nfs/dbraw/zinc/46/51/36/559465136.db2.gz YABNWFKTKVJCAT-CVEARBPZSA-N 1 2 354.410 2.405 20 30 FEEDLO Cc1ccc([C@@H](OC[C@@H](O)C[NH+]2CC(O)(CC#N)C2)c2ccccc2)cc1 ZINC000424129310 559655702 /nfs/dbraw/zinc/65/57/02/559655702.db2.gz CYBAOAFYOMIORS-SFTDATJTSA-N 1 2 366.461 2.422 20 30 FEEDLO Cn1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CNc2c(C#N)cccc2[N+](=O)[O-])cn1 ZINC000425258510 559693688 /nfs/dbraw/zinc/69/36/88/559693688.db2.gz TVJVCEKCYZUCAA-GJZGRUSLSA-N 1 2 358.377 2.224 20 30 FEEDLO Cn1cc(C[N@H+]2C[C@@H](F)C[C@H]2CNc2c(C#N)cccc2[N+](=O)[O-])cn1 ZINC000425258510 559693689 /nfs/dbraw/zinc/69/36/89/559693689.db2.gz TVJVCEKCYZUCAA-GJZGRUSLSA-N 1 2 358.377 2.224 20 30 FEEDLO C=CCn1cc(CNC(=O)N(C)Cc2[nH+]ccn2Cc2ccccc2)nn1 ZINC000425870370 559723449 /nfs/dbraw/zinc/72/34/49/559723449.db2.gz HAHOPDPMMQRHSY-UHFFFAOYSA-N 1 2 365.441 2.051 20 30 FEEDLO Cc1[nH+]c2cc(C)ccn2c1CN1CCN(C(=O)c2ccc(C#N)o2)CC1 ZINC000428007340 559767481 /nfs/dbraw/zinc/76/74/81/559767481.db2.gz VOZGJARXPNQDAZ-UHFFFAOYSA-N 1 2 363.421 2.374 20 30 FEEDLO C[C@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN(Cc3cccc(F)c3C#N)CC2)C1 ZINC000428480128 559776299 /nfs/dbraw/zinc/77/62/99/559776299.db2.gz BKPAWJYCZACCGR-IRXDYDNUSA-N 1 2 372.488 2.319 20 30 FEEDLO Cc1oc2nc(C[N@@H+]3CC[C@H](Oc4ccc(C#N)cn4)C3)nc(N)c2c1C ZINC000428796047 559783560 /nfs/dbraw/zinc/78/35/60/559783560.db2.gz ZXVGKDQEESHRFL-AWEZNQCLSA-N 1 2 364.409 2.342 20 30 FEEDLO Cc1oc2nc(C[N@H+]3CC[C@H](Oc4ccc(C#N)cn4)C3)nc(N)c2c1C ZINC000428796047 559783561 /nfs/dbraw/zinc/78/35/61/559783561.db2.gz ZXVGKDQEESHRFL-AWEZNQCLSA-N 1 2 364.409 2.342 20 30 FEEDLO CS(=O)(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC000437434793 559964634 /nfs/dbraw/zinc/96/46/34/559964634.db2.gz NTCMTWYKTLJHHY-AWEZNQCLSA-N 1 2 373.425 2.063 20 30 FEEDLO CS(=O)(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC000437434793 559964635 /nfs/dbraw/zinc/96/46/35/559964635.db2.gz NTCMTWYKTLJHHY-AWEZNQCLSA-N 1 2 373.425 2.063 20 30 FEEDLO N#Cc1ccc(CC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)cc1 ZINC000437962631 559972301 /nfs/dbraw/zinc/97/23/01/559972301.db2.gz MCZIMQGYWLFQAY-RTWAWAEBSA-N 1 2 361.445 2.213 20 30 FEEDLO N#Cc1ccc(CC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)cc1 ZINC000437962631 559972302 /nfs/dbraw/zinc/97/23/02/559972302.db2.gz MCZIMQGYWLFQAY-RTWAWAEBSA-N 1 2 361.445 2.213 20 30 FEEDLO C=CCOc1ccccc1C[NH+]1CCN(Cc2nc(COC)no2)CC1 ZINC000438553760 559980606 /nfs/dbraw/zinc/98/06/06/559980606.db2.gz RQXYZUUFPJTEIV-UHFFFAOYSA-N 1 2 358.442 2.099 20 30 FEEDLO COc1cc(OC)c2ncc(C#N)c(N[C@H](C)C[NH+]3CCOCC3)c2c1 ZINC000439101046 559988460 /nfs/dbraw/zinc/98/84/60/559988460.db2.gz PGNLBMPQGGATGC-CYBMUJFWSA-N 1 2 356.426 2.256 20 30 FEEDLO Cc1cccc(NC(=O)C(=O)NCCNc2ccc3ccccc3[nH+]2)c1C#N ZINC000441970783 560041813 /nfs/dbraw/zinc/04/18/13/560041813.db2.gz BOVZQMRMVAOATB-UHFFFAOYSA-N 1 2 373.416 2.582 20 30 FEEDLO CCC(C#N)(CC)C(=O)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000527713097 562301095 /nfs/dbraw/zinc/30/10/95/562301095.db2.gz JYPOTDOYEDLLRL-UHFFFAOYSA-N 1 2 357.454 2.432 20 30 FEEDLO N#Cc1cc(Br)ccc1C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000448983373 560210236 /nfs/dbraw/zinc/21/02/36/560210236.db2.gz NGSRIXZNPBBTNI-UHFFFAOYSA-N 1 2 374.242 2.002 20 30 FEEDLO C=CCNC(=O)C[NH+]1CCN(Cc2cccc(F)c2Br)CC1 ZINC000449008277 560211913 /nfs/dbraw/zinc/21/19/13/560211913.db2.gz IPLABMZDLJNMDF-UHFFFAOYSA-N 1 2 370.266 2.008 20 30 FEEDLO C[C@@H]1C[N@@H+]([C@H](CNC(=O)c2ccc(C#N)n2C)c2cccs2)CCO1 ZINC000450047882 560249137 /nfs/dbraw/zinc/24/91/37/560249137.db2.gz WFIICELPYCKVHB-CZUORRHYSA-N 1 2 358.467 2.150 20 30 FEEDLO C[C@@H]1C[N@H+]([C@H](CNC(=O)c2ccc(C#N)n2C)c2cccs2)CCO1 ZINC000450047882 560249138 /nfs/dbraw/zinc/24/91/38/560249138.db2.gz WFIICELPYCKVHB-CZUORRHYSA-N 1 2 358.467 2.150 20 30 FEEDLO CC(C)Cn1cc[nH+]c1CNS(=O)(=O)Cc1ccc(F)cc1C#N ZINC000451373436 560303292 /nfs/dbraw/zinc/30/32/92/560303292.db2.gz HUAIEDXUYMBKIT-UHFFFAOYSA-N 1 2 350.419 2.169 20 30 FEEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)C(=O)Nc1cccc(CC#N)c1 ZINC000453758867 560402091 /nfs/dbraw/zinc/40/20/91/560402091.db2.gz QWGSMQHMGBEGKR-UHFFFAOYSA-N 1 2 367.453 2.389 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCCC[C@H]3CCOC3)CC2)cc1 ZINC000455563535 560487280 /nfs/dbraw/zinc/48/72/80/560487280.db2.gz PBPAPBLQDDHXAC-IBGZPJMESA-N 1 2 356.470 2.202 20 30 FEEDLO N#CCCCC(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000456988824 560542510 /nfs/dbraw/zinc/54/25/10/560542510.db2.gz UZJKBZVPUVNTCJ-UHFFFAOYSA-N 1 2 353.220 2.313 20 30 FEEDLO C=CCC[C@H](CO)NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000458631030 560637311 /nfs/dbraw/zinc/63/73/11/560637311.db2.gz YTUQEMWZZMXYBA-XOKHGSTOSA-N 1 2 353.413 2.336 20 30 FEEDLO C=CCC[C@H](CO)NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000458631030 560637312 /nfs/dbraw/zinc/63/73/12/560637312.db2.gz YTUQEMWZZMXYBA-XOKHGSTOSA-N 1 2 353.413 2.336 20 30 FEEDLO Cc1cc(C[N@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)NCC(C)(C)CC#N)on1 ZINC000459241226 560675754 /nfs/dbraw/zinc/67/57/54/560675754.db2.gz RFQUNSZASATDLD-GJZGRUSLSA-N 1 2 365.453 2.477 20 30 FEEDLO Cc1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)NCC(C)(C)CC#N)on1 ZINC000459241226 560675755 /nfs/dbraw/zinc/67/57/55/560675755.db2.gz RFQUNSZASATDLD-GJZGRUSLSA-N 1 2 365.453 2.477 20 30 FEEDLO C[C@@H]([NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1ccn(C)n1 ZINC000459797020 560709052 /nfs/dbraw/zinc/70/90/52/560709052.db2.gz RTWGNUAXQZDWII-CYBMUJFWSA-N 1 2 364.371 2.257 20 30 FEEDLO C=C[C@H](CO)NC(=O)N[C@@H]1CC[N@@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000460876662 560754193 /nfs/dbraw/zinc/75/41/93/560754193.db2.gz AYBUVHYGVDXUSO-XFJVYGCCSA-N 1 2 357.376 2.085 20 30 FEEDLO C=C[C@H](CO)NC(=O)N[C@@H]1CC[N@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000460876662 560754194 /nfs/dbraw/zinc/75/41/94/560754194.db2.gz AYBUVHYGVDXUSO-XFJVYGCCSA-N 1 2 357.376 2.085 20 30 FEEDLO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)[C@@H](C)c2cccc(C#N)c2)CC1 ZINC000462069479 560794949 /nfs/dbraw/zinc/79/49/49/560794949.db2.gz HTQRJJHBHSWFBU-HNNXBMFYSA-N 1 2 365.481 2.357 20 30 FEEDLO N#Cc1cccnc1-n1cc(NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cn1 ZINC000462099634 560797038 /nfs/dbraw/zinc/79/70/38/560797038.db2.gz GIKBUUNSMBMHNT-UHFFFAOYSA-N 1 2 362.397 2.274 20 30 FEEDLO N#Cc1cccnc1-n1cc(NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cn1 ZINC000462099634 560797040 /nfs/dbraw/zinc/79/70/40/560797040.db2.gz GIKBUUNSMBMHNT-UHFFFAOYSA-N 1 2 362.397 2.274 20 30 FEEDLO C=CCNC(=O)C[NH+]1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1 ZINC000464809548 560851875 /nfs/dbraw/zinc/85/18/75/560851875.db2.gz BHKPBEDELCVDNS-UHFFFAOYSA-N 1 2 360.458 2.373 20 30 FEEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+](C)[C@@H](C)C[S@@](C)=O)cc1 ZINC000467193549 560906036 /nfs/dbraw/zinc/90/60/36/560906036.db2.gz CCZQJUFHUDNMEH-ODCWNRFASA-N 1 2 365.499 2.031 20 30 FEEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+](C)[C@@H](C)C[S@@](C)=O)cc1 ZINC000467193549 560906037 /nfs/dbraw/zinc/90/60/37/560906037.db2.gz CCZQJUFHUDNMEH-ODCWNRFASA-N 1 2 365.499 2.031 20 30 FEEDLO CC[C@@H]1C[N@H+](CCNC(=O)c2cc(-c3cccc(C#N)c3)no2)CCO1 ZINC000468769443 560938345 /nfs/dbraw/zinc/93/83/45/560938345.db2.gz AZDXOYDMJMAXFP-MRXNPFEDSA-N 1 2 354.410 2.054 20 30 FEEDLO CC[C@@H]1C[N@@H+](CCNC(=O)c2cc(-c3cccc(C#N)c3)no2)CCO1 ZINC000468769443 560938346 /nfs/dbraw/zinc/93/83/46/560938346.db2.gz AZDXOYDMJMAXFP-MRXNPFEDSA-N 1 2 354.410 2.054 20 30 FEEDLO C[C@H](C(=O)NC1(C#N)CCC1)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000468981292 560943854 /nfs/dbraw/zinc/94/38/54/560943854.db2.gz PHDBHAYTJDUTNA-OAHLLOKOSA-N 1 2 360.889 2.409 20 30 FEEDLO CC[C@H]1C[N@H+](CCNC(=O)[C@@H](Oc2ccccc2C#N)C(C)C)CCO1 ZINC000470444418 560982115 /nfs/dbraw/zinc/98/21/15/560982115.db2.gz DTJYWBGPJZLMCX-HKUYNNGSSA-N 1 2 359.470 2.189 20 30 FEEDLO CC[C@H]1C[N@@H+](CCNC(=O)[C@@H](Oc2ccccc2C#N)C(C)C)CCO1 ZINC000470444418 560982116 /nfs/dbraw/zinc/98/21/16/560982116.db2.gz DTJYWBGPJZLMCX-HKUYNNGSSA-N 1 2 359.470 2.189 20 30 FEEDLO CCCn1nc(C)c(C[NH+]2CCN(c3c(C#N)c(C)nn3C)CC2)c1C ZINC000471812668 561012376 /nfs/dbraw/zinc/01/23/76/561012376.db2.gz WJQVAOILLNIRTJ-UHFFFAOYSA-N 1 2 355.490 2.146 20 30 FEEDLO C=CCC[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1 ZINC000472745101 561034260 /nfs/dbraw/zinc/03/42/60/561034260.db2.gz DLGGQHZIFQYZJZ-GOSISDBHSA-N 1 2 366.527 2.443 20 30 FEEDLO C=CCCCCNC(=O)C(=O)Nc1ccc(C[NH+]2CCN(CC)CC2)cc1 ZINC000473320811 561047539 /nfs/dbraw/zinc/04/75/39/561047539.db2.gz MUPGWGQFXIWWSM-UHFFFAOYSA-N 1 2 372.513 2.235 20 30 FEEDLO CCOC[C@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(C)C ZINC000473969827 561062456 /nfs/dbraw/zinc/06/24/56/561062456.db2.gz YQBNEBDKKHMEMT-IBGZPJMESA-N 1 2 358.486 2.447 20 30 FEEDLO N#Cc1cccc(N2CC[NH+]([C@@H]3CCN(C4CCCCC4)C3=O)CC2)n1 ZINC000528447812 562329889 /nfs/dbraw/zinc/32/98/89/562329889.db2.gz FORFAHKKEGSCEU-GOSISDBHSA-N 1 2 353.470 2.009 20 30 FEEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCN(c3ccc(Cl)cc3F)C2=O)C1=O ZINC000528498082 562332499 /nfs/dbraw/zinc/33/24/99/562332499.db2.gz UXCOUUITDBSIAU-CVEARBPZSA-N 1 2 365.836 2.303 20 30 FEEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H]2CCN(c3ccc(Cl)cc3F)C2=O)C1=O ZINC000528498082 562332500 /nfs/dbraw/zinc/33/25/00/562332500.db2.gz UXCOUUITDBSIAU-CVEARBPZSA-N 1 2 365.836 2.303 20 30 FEEDLO CC(C)(C)c1ncc2c(n1)CC[N@@H+](C[C@H](O)COc1ccc(C#N)cc1)C2 ZINC000528595103 562337603 /nfs/dbraw/zinc/33/76/03/562337603.db2.gz TZQMRXBJGBMHIJ-KRWDZBQOSA-N 1 2 366.465 2.444 20 30 FEEDLO CC(C)(C)c1ncc2c(n1)CC[N@H+](C[C@H](O)COc1ccc(C#N)cc1)C2 ZINC000528595103 562337604 /nfs/dbraw/zinc/33/76/04/562337604.db2.gz TZQMRXBJGBMHIJ-KRWDZBQOSA-N 1 2 366.465 2.444 20 30 FEEDLO C[NH+](C)Cc1nc(C2(NC(=O)c3ccc(C#N)cn3)CCCCCC2)no1 ZINC000531810455 562457518 /nfs/dbraw/zinc/45/75/18/562457518.db2.gz CAAQENCQTHKRLF-UHFFFAOYSA-N 1 2 368.441 2.377 20 30 FEEDLO COC(=O)c1cccc(C[NH+]2CCC(N3CCCCC3=O)CC2)c1C#N ZINC000533758462 562517499 /nfs/dbraw/zinc/51/74/99/562517499.db2.gz DVIOSFSJPJNEBO-UHFFFAOYSA-N 1 2 355.438 2.322 20 30 FEEDLO COC(=O)[C@H](c1cccc(Cl)c1)[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000534834441 562543507 /nfs/dbraw/zinc/54/35/07/562543507.db2.gz VJDBMUYPINDBAE-HNNXBMFYSA-N 1 2 361.833 2.296 20 30 FEEDLO COC(=O)[C@H](c1cccc(Cl)c1)[N@@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000534834441 562543508 /nfs/dbraw/zinc/54/35/08/562543508.db2.gz VJDBMUYPINDBAE-HNNXBMFYSA-N 1 2 361.833 2.296 20 30 FEEDLO COC(=O)c1cccc(CN2CC[NH+](Cc3ccccn3)CC2)c1C#N ZINC000535222646 562553361 /nfs/dbraw/zinc/55/33/61/562553361.db2.gz WYVIMTHNHRDECG-UHFFFAOYSA-N 1 2 350.422 2.058 20 30 FEEDLO COC(=O)[C@H](C1CC1)[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000541985574 562625023 /nfs/dbraw/zinc/62/50/23/562625023.db2.gz CAXDLQNGYFNNSS-IBGZPJMESA-N 1 2 350.422 2.180 20 30 FEEDLO C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000545505960 562628435 /nfs/dbraw/zinc/62/84/35/562628435.db2.gz AQCNSXAXQFYYKL-VXNCWWDNSA-N 1 2 369.513 2.405 20 30 FEEDLO N#CC[C@@H](CC(=O)N1CC[NH+](CCc2cnccn2)CC1)c1ccccc1 ZINC000601888088 567866040 /nfs/dbraw/zinc/86/60/40/567866040.db2.gz PIRVTDMDNNCVKG-IBGZPJMESA-N 1 2 363.465 2.251 20 30 FEEDLO Cc1cn2ccc(C(=O)N3CCN(Cc4ccccc4)[C@H](C#N)C3)cc2[nH+]1 ZINC000602099163 567926545 /nfs/dbraw/zinc/92/65/45/567926545.db2.gz YISRDIXAESEFSL-LJQANCHMSA-N 1 2 359.433 2.493 20 30 FEEDLO C[C@@H](CCC#N)C[NH+]1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 ZINC000602436250 567977319 /nfs/dbraw/zinc/97/73/19/567977319.db2.gz LRILPFJZEHAMLY-ZDUSSCGKSA-N 1 2 357.426 2.211 20 30 FEEDLO COc1cc(-c2noc(C[NH+]3C[C@@H](C)N(CC#N)[C@H](C)C3)n2)ccc1C ZINC000602852265 568001526 /nfs/dbraw/zinc/00/15/26/568001526.db2.gz APVTYYOALYUWOY-HUUCEWRRSA-N 1 2 355.442 2.472 20 30 FEEDLO CC(C)OC(=O)Cc1nc(C[NH+]2C[C@@H](C)N(CC#N)[C@H](C)C2)cs1 ZINC000602856425 568002400 /nfs/dbraw/zinc/00/24/00/568002400.db2.gz LLBOMWXLUCZPMC-ZIAGYGMSSA-N 1 2 350.488 2.055 20 30 FEEDLO COc1ccc([C@H](NC(=O)C[NH+]2C[C@H](C)N(CC#N)[C@@H](C)C2)C2CC2)cc1 ZINC000602859409 568003243 /nfs/dbraw/zinc/00/32/43/568003243.db2.gz YDNDBBODBHLWIT-CKJXQJPGSA-N 1 2 370.497 2.181 20 30 FEEDLO CN(C)C(=O)c1ccc(OC2CC[NH+](C[C@H](C#N)CCC#N)CC2)nc1 ZINC000602890461 568006982 /nfs/dbraw/zinc/00/69/82/568006982.db2.gz MMBKDPDKIBTQNH-HNNXBMFYSA-N 1 2 355.442 2.070 20 30 FEEDLO CC(C)OCc1ccccc1CNC(=O)C[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602867389 568008511 /nfs/dbraw/zinc/00/85/11/568008511.db2.gz YGHFUGLVNJZMJF-HDICACEKSA-N 1 2 372.513 2.146 20 30 FEEDLO CC(C)OCc1ccccc1CNC(=O)C[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602867389 568008513 /nfs/dbraw/zinc/00/85/13/568008513.db2.gz YGHFUGLVNJZMJF-HDICACEKSA-N 1 2 372.513 2.146 20 30 FEEDLO CC(C)Oc1ccc(CCNC(=O)C[NH+]2C[C@H](C)N(CC#N)[C@@H](C)C2)cc1 ZINC000602867226 568008605 /nfs/dbraw/zinc/00/86/05/568008605.db2.gz XONZOVWWBWAAPT-ROUUACIJSA-N 1 2 372.513 2.051 20 30 FEEDLO C[C@@H](CC1(C#N)CCOCC1)Nc1cccc(C[N@@H+]2CCNC(=O)C2)c1 ZINC000602674506 568008816 /nfs/dbraw/zinc/00/88/16/568008816.db2.gz DJKULMBDQIXPCP-INIZCTEOSA-N 1 2 356.470 2.129 20 30 FEEDLO C[C@@H](CC1(C#N)CCOCC1)Nc1cccc(C[N@H+]2CCNC(=O)C2)c1 ZINC000602674506 568008817 /nfs/dbraw/zinc/00/88/17/568008817.db2.gz DJKULMBDQIXPCP-INIZCTEOSA-N 1 2 356.470 2.129 20 30 FEEDLO CCn1cc[nH+]c1CNC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000568364005 568034467 /nfs/dbraw/zinc/03/44/67/568034467.db2.gz NCUIWAISCBUESN-UHFFFAOYSA-N 1 2 368.441 2.359 20 30 FEEDLO C[N@H+](CC(=O)N1CCC(C(=O)N2CCCCCC2)CC1)[C@@H]1CCC[C@H]1C#N ZINC000602976162 568035982 /nfs/dbraw/zinc/03/59/82/568035982.db2.gz MBCYUIDXSFRBMI-RBUKOAKNSA-N 1 2 374.529 2.252 20 30 FEEDLO C[N@@H+](CC(=O)N1CCC(C(=O)N2CCCCCC2)CC1)[C@@H]1CCC[C@H]1C#N ZINC000602976162 568035983 /nfs/dbraw/zinc/03/59/83/568035983.db2.gz MBCYUIDXSFRBMI-RBUKOAKNSA-N 1 2 374.529 2.252 20 30 FEEDLO C[C@@H](C(=O)N1CCSc2ccccc21)[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602861900 568049756 /nfs/dbraw/zinc/04/97/56/568049756.db2.gz MPBYCXUYRVAHIB-XHSDSOJGSA-N 1 2 358.511 2.432 20 30 FEEDLO C[C@@H](C(=O)N1CCSc2ccccc21)[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602861900 568049757 /nfs/dbraw/zinc/04/97/57/568049757.db2.gz MPBYCXUYRVAHIB-XHSDSOJGSA-N 1 2 358.511 2.432 20 30 FEEDLO CC(C)c1nnc(CC2CC[NH+](CC(=O)N[C@](C)(C#N)C(C)C)CC2)[nH]1 ZINC000602862560 568049832 /nfs/dbraw/zinc/04/98/32/568049832.db2.gz KBWJMPBKSZXWKG-LJQANCHMSA-N 1 2 360.506 2.237 20 30 FEEDLO CC(C)c1nc(CC2CC[NH+](CC(=O)N[C@](C)(C#N)C(C)C)CC2)n[nH]1 ZINC000602862560 568049833 /nfs/dbraw/zinc/04/98/33/568049833.db2.gz KBWJMPBKSZXWKG-LJQANCHMSA-N 1 2 360.506 2.237 20 30 FEEDLO CCOC(=O)C1CC[NH+](Cc2cn([C@H](C#N)c3ccccc3)nn2)CC1 ZINC000603221581 568077312 /nfs/dbraw/zinc/07/73/12/568077312.db2.gz OPETUDUGRGBHAV-GOSISDBHSA-N 1 2 353.426 2.166 20 30 FEEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000569353354 568395799 /nfs/dbraw/zinc/39/57/99/568395799.db2.gz QBHKPFRPMNVPPE-BZOOQXSSSA-N 1 2 353.426 2.361 20 30 FEEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000569353354 568395800 /nfs/dbraw/zinc/39/58/00/568395800.db2.gz QBHKPFRPMNVPPE-BZOOQXSSSA-N 1 2 353.426 2.361 20 30 FEEDLO Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)Nc2cccc(C#N)n2)cc1 ZINC000584718914 568524808 /nfs/dbraw/zinc/52/48/08/568524808.db2.gz ADVPZSLTBOOOIH-SFHVURJKSA-N 1 2 365.437 2.457 20 30 FEEDLO Cc1nsc(N2CC[NH+](C[C@H](O)c3ccc(C#N)cc3)CC2)c1C#N ZINC000810065304 674528464 /nfs/dbraw/zinc/52/84/64/674528464.db2.gz QZZMSDYFUSKSKY-KRWDZBQOSA-N 1 2 353.451 2.050 20 30 FEEDLO CC[N@@H+](Cc1c(-c2nn[nH]n2)c(C)nn1-c1ccccc1)C[C@H](C)C#N ZINC000825428482 608312006 /nfs/dbraw/zinc/31/20/06/608312006.db2.gz OSFDZBAYLADWNJ-CYBMUJFWSA-N 1 2 350.430 2.342 20 30 FEEDLO CC[N@H+](Cc1c(-c2nn[nH]n2)c(C)nn1-c1ccccc1)C[C@H](C)C#N ZINC000825428482 608312008 /nfs/dbraw/zinc/31/20/08/608312008.db2.gz OSFDZBAYLADWNJ-CYBMUJFWSA-N 1 2 350.430 2.342 20 30 FEEDLO COCCn1nnc2c1CC[N@H+](Cc1cc(Cl)ccc1OCC#N)C2 ZINC000815130871 674922519 /nfs/dbraw/zinc/92/25/19/674922519.db2.gz JKXZYZWPQRSLOR-UHFFFAOYSA-N 1 2 361.833 2.039 20 30 FEEDLO COCCn1nnc2c1CC[N@@H+](Cc1cc(Cl)ccc1OCC#N)C2 ZINC000815130871 674922521 /nfs/dbraw/zinc/92/25/21/674922521.db2.gz JKXZYZWPQRSLOR-UHFFFAOYSA-N 1 2 361.833 2.039 20 30 FEEDLO C=CCC(F)(F)C(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000815134477 674922533 /nfs/dbraw/zinc/92/25/33/674922533.db2.gz AHLFEYSYGGGVIT-UHFFFAOYSA-N 1 2 353.413 2.145 20 30 FEEDLO CN(C)c1cc(C#N)cc(C(=O)N2CCC([N@H+](C)CC(F)F)CC2)c1 ZINC000815716153 674967776 /nfs/dbraw/zinc/96/77/76/674967776.db2.gz JYXAXGOWFDJZAF-UHFFFAOYSA-N 1 2 350.413 2.426 20 30 FEEDLO CN(C)c1cc(C#N)cc(C(=O)N2CCC([N@@H+](C)CC(F)F)CC2)c1 ZINC000815716153 674967777 /nfs/dbraw/zinc/96/77/77/674967777.db2.gz JYXAXGOWFDJZAF-UHFFFAOYSA-N 1 2 350.413 2.426 20 30 FEEDLO CCC1(CC)[C@@H](OC)C[C@@H]1[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000564149015 674978383 /nfs/dbraw/zinc/97/83/83/674978383.db2.gz YAOKMBBWVUXEFG-HOTGVXAUSA-N 1 2 365.499 2.252 20 30 FEEDLO CCC1(CC)[C@@H](OC)C[C@@H]1[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000564149015 674978386 /nfs/dbraw/zinc/97/83/86/674978386.db2.gz YAOKMBBWVUXEFG-HOTGVXAUSA-N 1 2 365.499 2.252 20 30 FEEDLO N#Cc1csc(C[NH2+]Cc2ccc(S(=O)(=O)N3CCCC3)cc2)n1 ZINC000581577012 671913355 /nfs/dbraw/zinc/91/33/55/671913355.db2.gz HTCJZAKMIGKESS-UHFFFAOYSA-N 1 2 362.480 2.089 20 30 FEEDLO C#CCC[NH+]1CCN(C(=O)CSc2nc(C)c(C)c(C)c2C#N)CC1 ZINC000128925854 672054718 /nfs/dbraw/zinc/05/47/18/672054718.db2.gz DPJAMWZCLCCJAR-UHFFFAOYSA-N 1 2 356.495 2.138 20 30 FEEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCc3ccc(O)cc3CC2)c1 ZINC000611089728 676016665 /nfs/dbraw/zinc/01/66/65/676016665.db2.gz KGJLQBNATJGKEU-UHFFFAOYSA-N 1 2 356.447 2.138 20 30 FEEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CCc3ccc(O)cc3CC2)c1 ZINC000611089728 676016668 /nfs/dbraw/zinc/01/66/68/676016668.db2.gz KGJLQBNATJGKEU-UHFFFAOYSA-N 1 2 356.447 2.138 20 30 FEEDLO C=CCC[C@H](CC)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)[nH+]c1 ZINC000679149954 672469369 /nfs/dbraw/zinc/46/93/69/672469369.db2.gz WJGIHCMZEDFNGU-HNNXBMFYSA-N 1 2 352.504 2.320 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Cc3ccncc3Cl)CC2)cc1 ZINC000590410176 672579874 /nfs/dbraw/zinc/57/98/74/672579874.db2.gz DLUKECFMNYCNIU-UHFFFAOYSA-N 1 2 354.841 2.494 20 30 FEEDLO C[N@H+]1Cc2ccccc2[C@@H](NS(=O)(=O)Cc2ccc(CC#N)cc2)C1 ZINC000592039227 672739931 /nfs/dbraw/zinc/73/99/31/672739931.db2.gz UCQLUDMVWRHOKP-IBGZPJMESA-N 1 2 355.463 2.359 20 30 FEEDLO C[N@@H+]1Cc2ccccc2[C@@H](NS(=O)(=O)Cc2ccc(CC#N)cc2)C1 ZINC000592039227 672739934 /nfs/dbraw/zinc/73/99/34/672739934.db2.gz UCQLUDMVWRHOKP-IBGZPJMESA-N 1 2 355.463 2.359 20 30 FEEDLO COC[C@@H]1C[C@@H](O)C[N@@H+]1CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000593065018 672870718 /nfs/dbraw/zinc/87/07/18/672870718.db2.gz WFTYKARGJUIANC-QLFBSQMISA-N 1 2 363.483 2.101 20 30 FEEDLO COC[C@@H]1C[C@@H](O)C[N@H+]1CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000593065018 672870722 /nfs/dbraw/zinc/87/07/22/672870722.db2.gz WFTYKARGJUIANC-QLFBSQMISA-N 1 2 363.483 2.101 20 30 FEEDLO Cc1ncsc1C[N@H+]1C[C@@H](F)C[C@H]1CN(C)C(=O)N[C@@H]1CCO[C@H]1C ZINC000329895610 673084486 /nfs/dbraw/zinc/08/44/86/673084486.db2.gz BZHDHONLTPEYIE-ZQDZILKHSA-N 1 2 370.494 2.387 20 30 FEEDLO Cc1ncsc1C[N@@H+]1C[C@@H](F)C[C@H]1CN(C)C(=O)N[C@@H]1CCO[C@H]1C ZINC000329895610 673084492 /nfs/dbraw/zinc/08/44/92/673084492.db2.gz BZHDHONLTPEYIE-ZQDZILKHSA-N 1 2 370.494 2.387 20 30 FEEDLO Cn1cc[nH+]c1[C@@H]1CCCN(S(=O)(=O)CC2(C#N)CCCCC2)C1 ZINC000443981578 673225230 /nfs/dbraw/zinc/22/52/30/673225230.db2.gz PGQWLJOPKPMKIO-OAHLLOKOSA-N 1 2 350.488 2.403 20 30 FEEDLO Cn1cc[nH+]c1[C@H]1CCCN(S(=O)(=O)Cc2ccc(F)cc2C#N)C1 ZINC000451469795 673237442 /nfs/dbraw/zinc/23/74/42/673237442.db2.gz MOFWHOGRAVLSNG-ZDUSSCGKSA-N 1 2 362.430 2.140 20 30 FEEDLO C[NH+]1CCN(C(=O)CSc2nc(-c3ccccc3)ccc2C#N)CC1 ZINC000538951229 673467963 /nfs/dbraw/zinc/46/79/63/673467963.db2.gz HMWZAPZBSSECLS-UHFFFAOYSA-N 1 2 352.463 2.486 20 30 FEEDLO CC(C)(C#N)C[C@@H](O)C[NH+]1CCN(C(=O)c2c(F)cccc2F)CC1 ZINC000598591251 673587163 /nfs/dbraw/zinc/58/71/63/673587163.db2.gz XMHVZRNSUMVSEP-CYBMUJFWSA-N 1 2 351.397 2.023 20 30 FEEDLO CSc1nc(C2CC2)cc(C(=O)N[C@H]2CCn3c[nH+]cc3C2)c1C#N ZINC000598945425 673624100 /nfs/dbraw/zinc/62/41/00/673624100.db2.gz BRAVCIKYEKTXPF-LBPRGKRZSA-N 1 2 353.451 2.494 20 30 FEEDLO C[C@H](OC(=O)[C@@H]1CCCC[N@@H+]1C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000745083661 673824694 /nfs/dbraw/zinc/82/46/94/673824694.db2.gz DQCBAAMLKMIBEG-FZMZJTMJSA-N 1 2 361.467 2.463 20 30 FEEDLO C[C@H](OC(=O)[C@@H]1CCCC[N@H+]1C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000745083661 673824698 /nfs/dbraw/zinc/82/46/98/673824698.db2.gz DQCBAAMLKMIBEG-FZMZJTMJSA-N 1 2 361.467 2.463 20 30 FEEDLO C[C@@H](C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1)n1cnc(C#N)n1 ZINC000547388399 673847792 /nfs/dbraw/zinc/84/77/92/673847792.db2.gz DEUGDQIVSWBLJS-RYUDHWBXSA-N 1 2 359.459 2.038 20 30 FEEDLO C[C@@H](C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1)n1cnc(C#N)n1 ZINC000547388399 673847798 /nfs/dbraw/zinc/84/77/98/673847798.db2.gz DEUGDQIVSWBLJS-RYUDHWBXSA-N 1 2 359.459 2.038 20 30 FEEDLO C[C@H](C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1)n1cnc(C#N)n1 ZINC000547388400 673847947 /nfs/dbraw/zinc/84/79/47/673847947.db2.gz DEUGDQIVSWBLJS-VXGBXAGGSA-N 1 2 359.459 2.038 20 30 FEEDLO C[C@H](C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1)n1cnc(C#N)n1 ZINC000547388400 673847953 /nfs/dbraw/zinc/84/79/53/673847953.db2.gz DEUGDQIVSWBLJS-VXGBXAGGSA-N 1 2 359.459 2.038 20 30 FEEDLO C#CC[N@H+](CC)CC(=O)Nc1ccc(I)cc1C ZINC000746456892 673879026 /nfs/dbraw/zinc/87/90/26/673879026.db2.gz QGPSLAWNSLGNDS-UHFFFAOYSA-N 1 2 356.207 2.493 20 30 FEEDLO C#CC[N@@H+](CC)CC(=O)Nc1ccc(I)cc1C ZINC000746456892 673879023 /nfs/dbraw/zinc/87/90/23/673879023.db2.gz QGPSLAWNSLGNDS-UHFFFAOYSA-N 1 2 356.207 2.493 20 30 FEEDLO C[N@@H+]1CCc2c(cccc2S(=O)(=O)NCc2ccc(C#N)c(F)c2)C1 ZINC000603352585 673926072 /nfs/dbraw/zinc/92/60/72/673926072.db2.gz PMSXEQMYYTXGLW-UHFFFAOYSA-N 1 2 359.426 2.164 20 30 FEEDLO C[N@H+]1CCc2c(cccc2S(=O)(=O)NCc2ccc(C#N)c(F)c2)C1 ZINC000603352585 673926076 /nfs/dbraw/zinc/92/60/76/673926076.db2.gz PMSXEQMYYTXGLW-UHFFFAOYSA-N 1 2 359.426 2.164 20 30 FEEDLO N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000548295392 673948339 /nfs/dbraw/zinc/94/83/39/673948339.db2.gz SWQKFVCUYYBJET-LBPRGKRZSA-N 1 2 370.356 2.067 20 30 FEEDLO COc1ccccc1[C@@H](CNS(=O)(=O)c1ccc(C#N)cc1)[NH+](C)C ZINC000603777594 675801475 /nfs/dbraw/zinc/80/14/75/675801475.db2.gz HYAAGJNGDNKILT-QGZVFWFLSA-N 1 2 359.451 2.148 20 30 FEEDLO CC#CC[NH2+]Cc1cn(C[C@@H](O)CO[C@H](C)c2ccc(Cl)cc2)nn1 ZINC000641203991 677196759 /nfs/dbraw/zinc/19/67/59/677196759.db2.gz UQVBYTLXMARPJQ-RDTXWAMCSA-N 1 2 362.861 2.183 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2csnc2OC)CC1(C)C ZINC000975058312 680009553 /nfs/dbraw/zinc/00/95/53/680009553.db2.gz SCUQGGFYFOOORP-QLFBSQMISA-N 1 2 365.499 2.069 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2csnc2OC)CC1(C)C ZINC000975058312 680009554 /nfs/dbraw/zinc/00/95/54/680009554.db2.gz SCUQGGFYFOOORP-QLFBSQMISA-N 1 2 365.499 2.069 20 30 FEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[C@@H]2N2CCCC2=O)C1 ZINC001014787486 680043023 /nfs/dbraw/zinc/04/30/23/680043023.db2.gz AAJZMRMJSXBAEI-OAGGEKHMSA-N 1 2 353.894 2.111 20 30 FEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[C@@H]2N2CCCC2=O)C1 ZINC001014787486 680043025 /nfs/dbraw/zinc/04/30/25/680043025.db2.gz AAJZMRMJSXBAEI-OAGGEKHMSA-N 1 2 353.894 2.111 20 30 FEEDLO COc1ccc(N[NH+]=Cc2c(Cl)nc(N)nc2N2CCOCC2)cc1 ZINC000750944977 680141685 /nfs/dbraw/zinc/14/16/85/680141685.db2.gz CKKPXBNAGLKIGN-UHFFFAOYSA-N 1 2 362.821 2.003 20 30 FEEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCN(C(=O)OC(C)(C)C)C(C)(C)C1 ZINC000832697576 680166751 /nfs/dbraw/zinc/16/67/51/680166751.db2.gz DJJRKLPVNNUZHU-CQSZACIVSA-N 1 2 352.479 2.078 20 30 FEEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCN(C(=O)OC(C)(C)C)C(C)(C)C1 ZINC000832697576 680166752 /nfs/dbraw/zinc/16/67/52/680166752.db2.gz DJJRKLPVNNUZHU-CQSZACIVSA-N 1 2 352.479 2.078 20 30 FEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1cnsn1 ZINC001025109190 680313882 /nfs/dbraw/zinc/31/38/82/680313882.db2.gz RQXSOESUGNZMFR-IKGGRYGDSA-N 1 2 364.515 2.380 20 30 FEEDLO N#Cc1ccc(OCC(=O)O[C@H]2CC[N@H+](CCF)C2)cc1Br ZINC000835370798 680324416 /nfs/dbraw/zinc/32/44/16/680324416.db2.gz KHNMSOAEPUFASO-ZDUSSCGKSA-N 1 2 371.206 2.287 20 30 FEEDLO N#Cc1ccc(OCC(=O)O[C@H]2CC[N@@H+](CCF)C2)cc1Br ZINC000835370798 680324413 /nfs/dbraw/zinc/32/44/13/680324413.db2.gz KHNMSOAEPUFASO-ZDUSSCGKSA-N 1 2 371.206 2.287 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]([N@@H+](C)Cc2csnc2OC)C1 ZINC001027585966 680360083 /nfs/dbraw/zinc/36/00/83/680360083.db2.gz UBLKGCMFMHOCID-OAGGEKHMSA-N 1 2 365.499 2.166 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]([N@H+](C)Cc2csnc2OC)C1 ZINC001027585966 680360085 /nfs/dbraw/zinc/36/00/85/680360085.db2.gz UBLKGCMFMHOCID-OAGGEKHMSA-N 1 2 365.499 2.166 20 30 FEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCO[C@H]1c1nccn1C ZINC001027941225 680365292 /nfs/dbraw/zinc/36/52/92/680365292.db2.gz FFSQPZPLSVXVKE-BZUAXINKSA-N 1 2 366.893 2.221 20 30 FEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCO[C@H]1c1nccn1C ZINC001027941225 680365296 /nfs/dbraw/zinc/36/52/96/680365296.db2.gz FFSQPZPLSVXVKE-BZUAXINKSA-N 1 2 366.893 2.221 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)Cc2nnc(C)s2)C1 ZINC001029739639 680390195 /nfs/dbraw/zinc/39/01/95/680390195.db2.gz RRRAETUMTZAQGR-OAGGEKHMSA-N 1 2 364.515 2.108 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H](C[N@H+](C)Cc2nnc(C)s2)C1 ZINC001029739639 680390200 /nfs/dbraw/zinc/39/02/00/680390200.db2.gz RRRAETUMTZAQGR-OAGGEKHMSA-N 1 2 364.515 2.108 20 30 FEEDLO C=CCC[C@@H]1CCCN1C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000912239297 685336314 /nfs/dbraw/zinc/33/63/14/685336314.db2.gz PLCMUIJUUKFEIZ-SJLPKXTDSA-N 1 2 353.532 2.335 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([N@H+](C)Cc2nnc(C)s2)CC1 ZINC000985694089 680470949 /nfs/dbraw/zinc/47/09/49/680470949.db2.gz GYNYJOIGYGRPOC-RDJZCZTQSA-N 1 2 364.515 2.251 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([N@@H+](C)Cc2nnc(C)s2)CC1 ZINC000985694089 680470951 /nfs/dbraw/zinc/47/09/51/680470951.db2.gz GYNYJOIGYGRPOC-RDJZCZTQSA-N 1 2 364.515 2.251 20 30 FEEDLO C[C@@H]1C[N@H+](CCOC(=O)Cc2ccc(Br)cc2C#N)CCO1 ZINC000845330781 681118749 /nfs/dbraw/zinc/11/87/49/681118749.db2.gz RNAIIEDOGMGWRX-GFCCVEGCSA-N 1 2 367.243 2.127 20 30 FEEDLO C[C@@H]1C[N@@H+](CCOC(=O)Cc2ccc(Br)cc2C#N)CCO1 ZINC000845330781 681118750 /nfs/dbraw/zinc/11/87/50/681118750.db2.gz RNAIIEDOGMGWRX-GFCCVEGCSA-N 1 2 367.243 2.127 20 30 FEEDLO N#Cc1nc(N[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)sc1Cl ZINC001059108038 681179034 /nfs/dbraw/zinc/17/90/34/681179034.db2.gz RMYLJGNQTCVCCF-IVZWLZJFSA-N 1 2 362.846 2.208 20 30 FEEDLO N#Cc1nc(N[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)sc1Cl ZINC001059108038 681179038 /nfs/dbraw/zinc/17/90/38/681179038.db2.gz RMYLJGNQTCVCCF-IVZWLZJFSA-N 1 2 362.846 2.208 20 30 FEEDLO N#C[C@@H]1CCC[N@@H+](CCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)C1 ZINC000932156016 681185329 /nfs/dbraw/zinc/18/53/29/681185329.db2.gz TXYSIHNNVKZRDC-LBPRGKRZSA-N 1 2 360.483 2.290 20 30 FEEDLO N#C[C@@H]1CCC[N@H+](CCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)C1 ZINC000932156016 681185333 /nfs/dbraw/zinc/18/53/33/681185333.db2.gz TXYSIHNNVKZRDC-LBPRGKRZSA-N 1 2 360.483 2.290 20 30 FEEDLO O=C1OCC[C@@H]1[N@@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932944155 681332433 /nfs/dbraw/zinc/33/24/33/681332433.db2.gz RQRWVJRTJAZQGF-XVMARJQXSA-N 1 2 353.209 2.405 20 30 FEEDLO O=C1OCC[C@@H]1[N@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932944155 681332435 /nfs/dbraw/zinc/33/24/35/681332435.db2.gz RQRWVJRTJAZQGF-XVMARJQXSA-N 1 2 353.209 2.405 20 30 FEEDLO C[C@H](C(=O)NC(=O)NCc1ccccc1)[N@H+](C)Cc1cc(C#N)cs1 ZINC000933774652 681467086 /nfs/dbraw/zinc/46/70/86/681467086.db2.gz BSCLTYOOAGOFHR-CYBMUJFWSA-N 1 2 356.451 2.466 20 30 FEEDLO C[C@H](C(=O)NC(=O)NCc1ccccc1)[N@@H+](C)Cc1cc(C#N)cs1 ZINC000933774652 681467088 /nfs/dbraw/zinc/46/70/88/681467088.db2.gz BSCLTYOOAGOFHR-CYBMUJFWSA-N 1 2 356.451 2.466 20 30 FEEDLO CCOC(=O)[C@H]1CCCN(C(=O)[C@H](C)[N@H+](C)Cc2cc(C#N)cs2)C1 ZINC000933777700 681467487 /nfs/dbraw/zinc/46/74/87/681467487.db2.gz NQVPONMRYJAWDC-ZFWWWQNUSA-N 1 2 363.483 2.242 20 30 FEEDLO CCOC(=O)[C@H]1CCCN(C(=O)[C@H](C)[N@@H+](C)Cc2cc(C#N)cs2)C1 ZINC000933777700 681467489 /nfs/dbraw/zinc/46/74/89/681467489.db2.gz NQVPONMRYJAWDC-ZFWWWQNUSA-N 1 2 363.483 2.242 20 30 FEEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000949369310 681635732 /nfs/dbraw/zinc/63/57/32/681635732.db2.gz VQLSINZMVYMWBX-BPGGGUHBSA-N 1 2 364.877 2.255 20 30 FEEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000949369310 681635735 /nfs/dbraw/zinc/63/57/35/681635735.db2.gz VQLSINZMVYMWBX-BPGGGUHBSA-N 1 2 364.877 2.255 20 30 FEEDLO NC(=[NH+]OCc1nnc2n1CCCC2)c1ccc(Br)cc1 ZINC000783042459 682106862 /nfs/dbraw/zinc/10/68/62/682106862.db2.gz OJNGUELMIMDJMP-UHFFFAOYSA-N 1 2 350.220 2.214 20 30 FEEDLO C=CC[N@H+](CC(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1)C(C)C ZINC000917070990 685529376 /nfs/dbraw/zinc/52/93/76/685529376.db2.gz LNVQYXNOBGRGDU-HNNXBMFYSA-N 1 2 370.540 2.160 20 30 FEEDLO C=CC[N@@H+](CC(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1)C(C)C ZINC000917070990 685529377 /nfs/dbraw/zinc/52/93/77/685529377.db2.gz LNVQYXNOBGRGDU-HNNXBMFYSA-N 1 2 370.540 2.160 20 30 FEEDLO CN(C)C(=O)N(C)[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000852653091 682313733 /nfs/dbraw/zinc/31/37/33/682313733.db2.gz KWGBUNZEQGSBDF-OAHLLOKOSA-N 1 2 350.850 2.430 20 30 FEEDLO CN(C)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000852653091 682313738 /nfs/dbraw/zinc/31/37/38/682313738.db2.gz KWGBUNZEQGSBDF-OAHLLOKOSA-N 1 2 350.850 2.430 20 30 FEEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1c1cc(Br)cnc1C#N ZINC000853616142 682445777 /nfs/dbraw/zinc/44/57/77/682445777.db2.gz TXNJFOSXYVNQBS-AAEUAGOBSA-N 1 2 351.248 2.015 20 30 FEEDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C#Cc1ccc(C(F)(F)F)cc1 ZINC000790134034 682657471 /nfs/dbraw/zinc/65/74/71/682657471.db2.gz ZZDZNIPHFYUFJT-AWEZNQCLSA-N 1 2 354.372 2.236 20 30 FEEDLO C#CCn1cc(CNC(=O)CSCc2cn3cc(C)ccc3[nH+]2)cn1 ZINC000791261137 682730576 /nfs/dbraw/zinc/73/05/76/682730576.db2.gz YWAGBRHUGNZNNH-UHFFFAOYSA-N 1 2 353.451 2.022 20 30 FEEDLO C#CC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccc(I)cc1 ZINC000794342940 682959031 /nfs/dbraw/zinc/95/90/31/682959031.db2.gz AEEBYVVZOHRVAH-CQSZACIVSA-N 1 2 368.218 2.005 20 30 FEEDLO C#CC(=O)NC[C@H]1CCC[N@H+]1Cc1ccc(I)cc1 ZINC000794342940 682959030 /nfs/dbraw/zinc/95/90/30/682959030.db2.gz AEEBYVVZOHRVAH-CQSZACIVSA-N 1 2 368.218 2.005 20 30 FEEDLO Cc1nn(-c2ccccn2)c(Cl)c1C=NNC1=[NH+][C@H]2CCCC[C@@H]2N1 ZINC000794923551 683003845 /nfs/dbraw/zinc/00/38/45/683003845.db2.gz PNJLNFIOSVNAEC-KBPBESRZSA-N 1 2 357.849 2.423 20 30 FEEDLO CN(C)c1cc(F)c(CN(CCC#N)CC[NH+]2CCOCC2)cc1F ZINC000862210601 683550282 /nfs/dbraw/zinc/55/02/82/683550282.db2.gz QEOIQGOVAPLFPP-UHFFFAOYSA-N 1 2 352.429 2.079 20 30 FEEDLO N#C[C@H](NC(=O)/C=C/C[NH+]1CCOCC1)c1ccc(Br)cc1 ZINC000864768818 683889250 /nfs/dbraw/zinc/88/92/50/683889250.db2.gz LUHPLGJKJQTHLG-YLSAJCSVSA-N 1 2 364.243 2.018 20 30 FEEDLO C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000868264351 684472292 /nfs/dbraw/zinc/47/22/92/684472292.db2.gz KMWINJONJOKAEM-GXTWGEPZSA-N 1 2 368.865 2.350 20 30 FEEDLO C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000869102679 684581799 /nfs/dbraw/zinc/58/17/99/684581799.db2.gz FCOUUROWYLLSDA-TZMCWYRMSA-N 1 2 368.865 2.350 20 30 FEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC(C)(C)c1ccc(F)cc1Cl ZINC000884138191 687797828 /nfs/dbraw/zinc/79/78/28/687797828.db2.gz GVZTXZBBICQBSM-AWEZNQCLSA-N 1 2 356.825 2.320 20 30 FEEDLO N#Cc1csc(C[NH2+]Cc2ccc(OCCN3CCOCC3)cc2)n1 ZINC000897626158 690052362 /nfs/dbraw/zinc/05/23/62/690052362.db2.gz NFTKEJXLIAHUAS-UHFFFAOYSA-N 1 2 358.467 2.016 20 30 FEEDLO NC(=[NH+]OCc1noc2c1COCC2)c1ccc(Br)cc1 ZINC000902727540 690802821 /nfs/dbraw/zinc/80/28/21/690802821.db2.gz YTGKRUITSQNMEX-UHFFFAOYSA-N 1 2 352.188 2.347 20 30 FEEDLO O=C1C[C@H]([N@@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)C(=O)N1CC(F)(F)F ZINC000905026128 691058524 /nfs/dbraw/zinc/05/85/24/691058524.db2.gz UQHWTWPBYDRALJ-XVKPBYJWSA-N 1 2 362.245 2.043 20 30 FEEDLO O=C1C[C@H]([N@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)C(=O)N1CC(F)(F)F ZINC000905026128 691058526 /nfs/dbraw/zinc/05/85/26/691058526.db2.gz UQHWTWPBYDRALJ-XVKPBYJWSA-N 1 2 362.245 2.043 20 30 FEEDLO COc1ccc(C[NH+]2CCN(c3nnc(C)c(C)c3C#N)CC2)cc1F ZINC000024054424 539724434 /nfs/dbraw/zinc/72/44/34/539724434.db2.gz DGBDZVIDOJHIIO-UHFFFAOYSA-N 1 2 355.417 2.435 20 30 FEEDLO N#Cc1ccnc(N2CC[NH+](CC(=O)N3CCC[C@H]4CCCC[C@H]43)CC2)c1 ZINC000025940818 539772454 /nfs/dbraw/zinc/77/24/54/539772454.db2.gz XURCMBVBDGISKP-RTBURBONSA-N 1 2 367.497 2.256 20 30 FEEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000028274748 539829874 /nfs/dbraw/zinc/82/98/74/539829874.db2.gz UEWKOKSAWYGLAW-SFHVURJKSA-N 1 2 372.513 2.056 20 30 FEEDLO C[C@@H]1CCC[C@H](NC(=O)C[NH+]2CCN(c3cc(C#N)ccn3)CC2)[C@@H]1C ZINC000029444036 539853733 /nfs/dbraw/zinc/85/37/33/539853733.db2.gz AMPVLWWZQSIYRG-NUJGCVRESA-N 1 2 355.486 2.016 20 30 FEEDLO CN(Cc1ccccc1)C(=O)C[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000029856110 539866923 /nfs/dbraw/zinc/86/69/23/539866923.db2.gz KGXFDXIYIFDSJV-UHFFFAOYSA-N 1 2 366.440 2.478 20 30 FEEDLO Cc1oc(NC(=O)C[NH+]2CCC(C(=O)N(C)C(C)C)CC2)c(C#N)c1C ZINC000030273448 539876787 /nfs/dbraw/zinc/87/67/87/539876787.db2.gz NTYBSCLIENPFQZ-UHFFFAOYSA-N 1 2 360.458 2.285 20 30 FEEDLO C=CC[N@@H+](CC(=O)NC(=O)N[C@@H](C)COC)Cc1ccc(Cl)s1 ZINC000032769724 539952166 /nfs/dbraw/zinc/95/21/66/539952166.db2.gz PIPAERFCXMOLHT-NSHDSACASA-N 1 2 359.879 2.250 20 30 FEEDLO C=CC[N@H+](CC(=O)NC(=O)N[C@@H](C)COC)Cc1ccc(Cl)s1 ZINC000032769724 539952171 /nfs/dbraw/zinc/95/21/71/539952171.db2.gz PIPAERFCXMOLHT-NSHDSACASA-N 1 2 359.879 2.250 20 30 FEEDLO N#CCCN(C(=O)C[NH+]1CCN(c2ccccc2O)CC1)c1ccccc1 ZINC000038437510 539999036 /nfs/dbraw/zinc/99/90/36/539999036.db2.gz QGQVJHMQFNXVBV-UHFFFAOYSA-N 1 2 364.449 2.461 20 30 FEEDLO N#Cc1cccc(NC(=O)C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)c1 ZINC000041311343 540016709 /nfs/dbraw/zinc/01/67/09/540016709.db2.gz VVOWWOISTGNQTM-UHFFFAOYSA-N 1 2 353.769 2.114 20 30 FEEDLO N#Cc1ccc(NC(=O)C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000041858870 540036986 /nfs/dbraw/zinc/03/69/86/540036986.db2.gz JJTRNWFMAQSAQW-UHFFFAOYSA-N 1 2 359.389 2.058 20 30 FEEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000042354539 540060045 /nfs/dbraw/zinc/06/00/45/540060045.db2.gz VUIMHLKTLSCGTC-SFHVURJKSA-N 1 2 352.482 2.265 20 30 FEEDLO C=CCN(CC=C)C(=O)[C@H](C)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000042354539 540060048 /nfs/dbraw/zinc/06/00/48/540060048.db2.gz VUIMHLKTLSCGTC-SFHVURJKSA-N 1 2 352.482 2.265 20 30 FEEDLO C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)Nc2ccc(C#N)cc2)CC1 ZINC000045031415 540147398 /nfs/dbraw/zinc/14/73/98/540147398.db2.gz JLMUGQBMDLLFSP-MRXNPFEDSA-N 1 2 369.469 2.109 20 30 FEEDLO O=C(NCC#Cc1ccccc1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000045611133 540218714 /nfs/dbraw/zinc/21/87/14/540218714.db2.gz PURXQFRIUMSVLZ-UHFFFAOYSA-N 1 2 363.461 2.370 20 30 FEEDLO Cc1cc(N2CCN(CC(=O)Nc3nncs3)CC2)nc(C(C)C)[nH+]1 ZINC000045810138 540229393 /nfs/dbraw/zinc/22/93/93/540229393.db2.gz UJQWCYDLCIAFLV-UHFFFAOYSA-N 1 2 361.475 2.170 20 30 FEEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1Cc2c(OC)ccc(OC)c2[C@H](O)C1 ZINC000046515071 540260465 /nfs/dbraw/zinc/26/04/65/540260465.db2.gz UOMBGIOFSUMAFO-GOEBONIOSA-N 1 2 360.454 2.142 20 30 FEEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1Cc2c(OC)ccc(OC)c2[C@H](O)C1 ZINC000046515071 540260468 /nfs/dbraw/zinc/26/04/68/540260468.db2.gz UOMBGIOFSUMAFO-GOEBONIOSA-N 1 2 360.454 2.142 20 30 FEEDLO Cc1oc(NC(=O)C[N@@H+](C)Cc2ccc(C#N)cc2)c2c1c(C)n[nH]c2=O ZINC000046528847 540261224 /nfs/dbraw/zinc/26/12/24/540261224.db2.gz CVYHAWINVIDQQJ-UHFFFAOYSA-N 1 2 365.393 2.075 20 30 FEEDLO Cc1oc(NC(=O)C[N@H+](C)Cc2ccc(C#N)cc2)c2c1c(C)n[nH]c2=O ZINC000046528847 540261225 /nfs/dbraw/zinc/26/12/25/540261225.db2.gz CVYHAWINVIDQQJ-UHFFFAOYSA-N 1 2 365.393 2.075 20 30 FEEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)c2cccc([C@@H]3CCOC3)c2)c1C#N ZINC000534198298 540334100 /nfs/dbraw/zinc/33/41/00/540334100.db2.gz SQUFJQJGVAOVFF-OAHLLOKOSA-N 1 2 353.426 2.190 20 30 FEEDLO CC(C)CN(C(=O)CN1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CC1 ZINC000051621486 540439694 /nfs/dbraw/zinc/43/96/94/540439694.db2.gz VOFQOUTZKJOKQR-UHFFFAOYSA-N 1 2 354.498 2.323 20 30 FEEDLO CC(C)CN(C(=O)C[NH+]1CCN(Cc2ccc(C#N)cc2)CC1)C1CC1 ZINC000051621486 540439695 /nfs/dbraw/zinc/43/96/95/540439695.db2.gz VOFQOUTZKJOKQR-UHFFFAOYSA-N 1 2 354.498 2.323 20 30 FEEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)c2cnc(-c3ccncc3)s2)c1C#N ZINC000535505537 540478999 /nfs/dbraw/zinc/47/89/99/540478999.db2.gz JLHRLOFTSFPMJX-UHFFFAOYSA-N 1 2 367.438 2.204 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCC(NC(=O)c2ccccc2F)CC1 ZINC000052725257 540485583 /nfs/dbraw/zinc/48/55/83/540485583.db2.gz FYQSTEOOHAOTMV-FQEVSTJZSA-N 1 2 374.460 2.074 20 30 FEEDLO Cc1ccc(NC(=O)C[N@H+](C)C[C@@H](O)COc2ccc(CC#N)cc2)cc1 ZINC000053944154 540560554 /nfs/dbraw/zinc/56/05/54/540560554.db2.gz XJPBEFIYFRFDEP-LJQANCHMSA-N 1 2 367.449 2.371 20 30 FEEDLO Cc1ccc(NC(=O)C[N@@H+](C)C[C@@H](O)COc2ccc(CC#N)cc2)cc1 ZINC000053944154 540560556 /nfs/dbraw/zinc/56/05/56/540560556.db2.gz XJPBEFIYFRFDEP-LJQANCHMSA-N 1 2 367.449 2.371 20 30 FEEDLO Cc1ccc(C#N)cc1NC(=O)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000057668709 540806710 /nfs/dbraw/zinc/80/67/10/540806710.db2.gz RHWUDRGKOQDAAC-UHFFFAOYSA-N 1 2 362.433 2.150 20 30 FEEDLO COc1ccc(CC(N)=[NH+]OCC(=O)Nc2cc(C)ccc2OC)cc1 ZINC000060455561 541112183 /nfs/dbraw/zinc/11/21/83/541112183.db2.gz SVEBOGWECKQVIY-UHFFFAOYSA-N 1 2 357.410 2.482 20 30 FEEDLO C=CC[N@@H+](CC(=O)N1CCCC[C@H]1C(=O)OCC)Cc1cccc(C#N)c1 ZINC000063300544 541163627 /nfs/dbraw/zinc/16/36/27/541163627.db2.gz IOUZRDDLMRPNML-IBGZPJMESA-N 1 2 369.465 2.490 20 30 FEEDLO C=CC[N@H+](CC(=O)N1CCCC[C@H]1C(=O)OCC)Cc1cccc(C#N)c1 ZINC000063300544 541163630 /nfs/dbraw/zinc/16/36/30/541163630.db2.gz IOUZRDDLMRPNML-IBGZPJMESA-N 1 2 369.465 2.490 20 30 FEEDLO C#CCC[NH+]1CCN(C(=O)c2nn(-c3ccc(F)cc3)c3c2CCC3)CC1 ZINC000064442082 541206081 /nfs/dbraw/zinc/20/60/81/541206081.db2.gz LRPMYIGGHYTIBN-UHFFFAOYSA-N 1 2 366.440 2.281 20 30 FEEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN(C(=O)Cc2ccccc2F)CC1 ZINC000066867751 541383907 /nfs/dbraw/zinc/38/39/07/541383907.db2.gz YEIXKUXGLXFPSM-KRWDZBQOSA-N 1 2 373.472 2.102 20 30 FEEDLO N#CCOc1ccc(CNC(=O)N2CC[NH+](Cc3cccnc3)CC2)cc1 ZINC000069314984 541677329 /nfs/dbraw/zinc/67/73/29/541677329.db2.gz KQEFVVOVMHCAEG-UHFFFAOYSA-N 1 2 365.437 2.011 20 30 FEEDLO CSc1[nH]c(=O)c(C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)cc1C#N ZINC000069490207 541690228 /nfs/dbraw/zinc/69/02/28/541690228.db2.gz YFDDUKDWRLETAR-CQSZACIVSA-N 1 2 360.483 2.471 20 30 FEEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H]1CN1CCOCC1 ZINC000072768228 541862929 /nfs/dbraw/zinc/86/29/29/541862929.db2.gz GALJQIVASMSIHV-INIZCTEOSA-N 1 2 374.510 2.037 20 30 FEEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@H]1CN1CCOCC1 ZINC000072768228 541862932 /nfs/dbraw/zinc/86/29/32/541862932.db2.gz GALJQIVASMSIHV-INIZCTEOSA-N 1 2 374.510 2.037 20 30 FEEDLO N#CCSc1ccccc1NC(=O)CN1CCC[C@H]1C[NH+]1CCOCC1 ZINC000072768228 541862935 /nfs/dbraw/zinc/86/29/35/541862935.db2.gz GALJQIVASMSIHV-INIZCTEOSA-N 1 2 374.510 2.037 20 30 FEEDLO COC(=O)c1ccccc1N(C)C(=O)C[N@H+](C)Cc1cccc(C#N)c1 ZINC000073651517 541981751 /nfs/dbraw/zinc/98/17/51/541981751.db2.gz OORZGBSMCLXGJA-UHFFFAOYSA-N 1 2 351.406 2.440 20 30 FEEDLO COC(=O)c1ccccc1N(C)C(=O)C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000073651517 541981757 /nfs/dbraw/zinc/98/17/57/541981757.db2.gz OORZGBSMCLXGJA-UHFFFAOYSA-N 1 2 351.406 2.440 20 30 FEEDLO CSc1[nH]c(=O)c(C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)cc1C#N ZINC000075200457 542159436 /nfs/dbraw/zinc/15/94/36/542159436.db2.gz GPSLKMOEUWDZHW-CQSZACIVSA-N 1 2 360.483 2.375 20 30 FEEDLO CSc1[nH]c(=O)c(C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)cc1C#N ZINC000075200457 542159441 /nfs/dbraw/zinc/15/94/41/542159441.db2.gz GPSLKMOEUWDZHW-CQSZACIVSA-N 1 2 360.483 2.375 20 30 FEEDLO CC(C)C(=O)N1CCC[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)CC1 ZINC000075712085 542199595 /nfs/dbraw/zinc/19/95/95/542199595.db2.gz KKDQXPFYYHYUOG-UHFFFAOYSA-N 1 2 353.426 2.299 20 30 FEEDLO CC(C)C(=O)N1CCC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)CC1 ZINC000075712085 542199598 /nfs/dbraw/zinc/19/95/98/542199598.db2.gz KKDQXPFYYHYUOG-UHFFFAOYSA-N 1 2 353.426 2.299 20 30 FEEDLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000076818286 542323395 /nfs/dbraw/zinc/32/33/95/542323395.db2.gz JXPRNMTZMGZIPJ-DIADJTQKSA-N 1 2 365.524 2.278 20 30 FEEDLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000076818286 542323399 /nfs/dbraw/zinc/32/33/99/542323399.db2.gz JXPRNMTZMGZIPJ-DIADJTQKSA-N 1 2 365.524 2.278 20 30 FEEDLO CC(=O)N[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000077170012 542351033 /nfs/dbraw/zinc/35/10/33/542351033.db2.gz IQUWVVYSEWEERW-YPMHNXCESA-N 1 2 360.483 2.036 20 30 FEEDLO CC(=O)N[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000077170012 542351036 /nfs/dbraw/zinc/35/10/36/542351036.db2.gz IQUWVVYSEWEERW-YPMHNXCESA-N 1 2 360.483 2.036 20 30 FEEDLO N#Cc1cc(NC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)ccc1F ZINC000077498321 542389390 /nfs/dbraw/zinc/38/93/90/542389390.db2.gz MCTFZYGECGKLDA-QGZVFWFLSA-N 1 2 364.446 2.027 20 30 FEEDLO N#CCC[N@@H+](CC(=O)N1CCC(C(=O)N2CCCCCC2)CC1)CC1CC1 ZINC000081044007 542627584 /nfs/dbraw/zinc/62/75/84/542627584.db2.gz JQUZNGATWWSKAS-UHFFFAOYSA-N 1 2 374.529 2.253 20 30 FEEDLO N#CCC[N@H+](CC(=O)N1CCC(C(=O)N2CCCCCC2)CC1)CC1CC1 ZINC000081044007 542627587 /nfs/dbraw/zinc/62/75/87/542627587.db2.gz JQUZNGATWWSKAS-UHFFFAOYSA-N 1 2 374.529 2.253 20 30 FEEDLO CN1CC[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)Cc2ccccc21 ZINC000081513138 542662139 /nfs/dbraw/zinc/66/21/39/542662139.db2.gz ACBBQFDOBIRNAY-UHFFFAOYSA-N 1 2 355.463 2.284 20 30 FEEDLO CN1CC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)Cc2ccccc21 ZINC000081513138 542662143 /nfs/dbraw/zinc/66/21/43/542662143.db2.gz ACBBQFDOBIRNAY-UHFFFAOYSA-N 1 2 355.463 2.284 20 30 FEEDLO CCOC(=O)C1(C)CC[NH+]([C@@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000092824609 542889744 /nfs/dbraw/zinc/88/97/44/542889744.db2.gz JNHHTOWIHJVWSD-CQSZACIVSA-N 1 2 361.467 2.390 20 30 FEEDLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000093441489 542930930 /nfs/dbraw/zinc/93/09/30/542930930.db2.gz CPTMQOKPVVRCFE-ICSRJNTNSA-N 1 2 366.417 2.245 20 30 FEEDLO COC(=O)[C@@H]1C[C@H](O)C[N@H+]1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000093441489 542930933 /nfs/dbraw/zinc/93/09/33/542930933.db2.gz CPTMQOKPVVRCFE-ICSRJNTNSA-N 1 2 366.417 2.245 20 30 FEEDLO COC(=O)[C@@]1(F)CC[N@H+](Cc2ccc(OC)c(OCCCC#N)c2)C1 ZINC000093888132 542944267 /nfs/dbraw/zinc/94/42/67/542944267.db2.gz NHQMVVZRQPHFRS-GOSISDBHSA-N 1 2 350.390 2.465 20 30 FEEDLO COC(=O)[C@@]1(F)CC[N@@H+](Cc2ccc(OC)c(OCCCC#N)c2)C1 ZINC000093888132 542944269 /nfs/dbraw/zinc/94/42/69/542944269.db2.gz NHQMVVZRQPHFRS-GOSISDBHSA-N 1 2 350.390 2.465 20 30 FEEDLO C=CCn1c(SC[C@H](O)C[NH+]2CCOCC2)nnc1-c1cccc(C)c1 ZINC000102663154 543076820 /nfs/dbraw/zinc/07/68/20/543076820.db2.gz QWDOWKASJSEQEO-QGZVFWFLSA-N 1 2 374.510 2.225 20 30 FEEDLO CCN(CCC#N)C(=O)C[NH+]1CCN([C@@H](C)c2ccc(F)cc2F)CC1 ZINC000103494322 543112541 /nfs/dbraw/zinc/11/25/41/543112541.db2.gz IREOTLURCAZOOH-HNNXBMFYSA-N 1 2 364.440 2.406 20 30 FEEDLO N#CCSc1ccccc1NC(=O)C[NH+]1CCC(N2CCCC2=O)CC1 ZINC000104728565 543140647 /nfs/dbraw/zinc/14/06/47/543140647.db2.gz UUTRPAYMCXGFLU-UHFFFAOYSA-N 1 2 372.494 2.328 20 30 FEEDLO Cc1nc2c(cnn2C)c(N2CC[NH+](Cc3ccc(F)cc3C#N)CC2)n1 ZINC000106169806 543211978 /nfs/dbraw/zinc/21/19/78/543211978.db2.gz WJYOSYNAQCVUHU-UHFFFAOYSA-N 1 2 365.416 2.005 20 30 FEEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000106583249 543240543 /nfs/dbraw/zinc/24/05/43/543240543.db2.gz QZLOEVKXLCTULB-KRWDZBQOSA-N 1 2 357.502 2.116 20 30 FEEDLO CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000106869465 543251455 /nfs/dbraw/zinc/25/14/55/543251455.db2.gz QDSYMQALGYVSOR-NVXWUHKLSA-N 1 2 370.453 2.263 20 30 FEEDLO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000106869465 543251456 /nfs/dbraw/zinc/25/14/56/543251456.db2.gz QDSYMQALGYVSOR-NVXWUHKLSA-N 1 2 370.453 2.263 20 30 FEEDLO CCN1CC[NH+]([C@H]2CCN(C(=O)Nc3ccc(C#N)c(Cl)c3)C2)CC1 ZINC000106938694 543256986 /nfs/dbraw/zinc/25/69/86/543256986.db2.gz FTJHQZKWSVZOFX-INIZCTEOSA-N 1 2 361.877 2.455 20 30 FEEDLO C=CC[N@@H+](Cc1cc(Cl)c2c(c1)OCCO2)[C@H]1CCS(=O)(=O)C1 ZINC000109133517 543315213 /nfs/dbraw/zinc/31/52/13/543315213.db2.gz COOUGOWBGDDZFT-ZDUSSCGKSA-N 1 2 357.859 2.286 20 30 FEEDLO C=CC[N@H+](Cc1cc(Cl)c2c(c1)OCCO2)[C@H]1CCS(=O)(=O)C1 ZINC000109133517 543315216 /nfs/dbraw/zinc/31/52/16/543315216.db2.gz COOUGOWBGDDZFT-ZDUSSCGKSA-N 1 2 357.859 2.286 20 30 FEEDLO C[C@@H](Oc1ccccc1C#N)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000110956126 543375280 /nfs/dbraw/zinc/37/52/80/543375280.db2.gz RNJGNRYHIJZNBZ-SJLPKXTDSA-N 1 2 357.454 2.039 20 30 FEEDLO C=CCc1cc(C(=O)N2CC[NH+](CCOCC)CC2)cc(OC)c1OC ZINC000110917271 543373455 /nfs/dbraw/zinc/37/34/55/543373455.db2.gz NYTNAMYERUPWLH-UHFFFAOYSA-N 1 2 362.470 2.227 20 30 FEEDLO NC(CN1CCOCC1)=[NH+]OCc1cccc(C(=O)Nc2ccccc2)c1 ZINC000111182197 543383895 /nfs/dbraw/zinc/38/38/95/543383895.db2.gz DSDYQWCLGABFKI-UHFFFAOYSA-N 1 2 368.437 2.060 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)C[C@H]1CCOc2ccccc21 ZINC000117776390 543640063 /nfs/dbraw/zinc/64/00/63/543640063.db2.gz FPUBIWNYJUGVJX-QGZVFWFLSA-N 1 2 357.454 2.017 20 30 FEEDLO Cc1ccc([C@H]2COCC[N@@H+]2C[C@H](O)COc2ccc(CC#N)cc2)o1 ZINC000116995495 543620890 /nfs/dbraw/zinc/62/08/90/543620890.db2.gz PXWFLEVNRKCHIG-PKOBYXMFSA-N 1 2 356.422 2.467 20 30 FEEDLO Cc1ccc([C@H]2COCC[N@H+]2C[C@H](O)COc2ccc(CC#N)cc2)o1 ZINC000116995495 543620893 /nfs/dbraw/zinc/62/08/93/543620893.db2.gz PXWFLEVNRKCHIG-PKOBYXMFSA-N 1 2 356.422 2.467 20 30 FEEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N(C)Cc1[nH+]ccn1C ZINC000119708200 543671188 /nfs/dbraw/zinc/67/11/88/543671188.db2.gz GYRHFVBXUCSZRA-ZDUSSCGKSA-N 1 2 371.466 2.411 20 30 FEEDLO CC(C)C[N@H+](CC(N)=O)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000120093575 543675699 /nfs/dbraw/zinc/67/56/99/543675699.db2.gz IZAWQMRZFNQSFN-UHFFFAOYSA-N 1 2 350.850 2.030 20 30 FEEDLO CC(C)C[N@@H+](CC(N)=O)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000120093575 543675700 /nfs/dbraw/zinc/67/57/00/543675700.db2.gz IZAWQMRZFNQSFN-UHFFFAOYSA-N 1 2 350.850 2.030 20 30 FEEDLO C=CCCOCCNC(=O)NC[C@@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000122121699 543703800 /nfs/dbraw/zinc/70/38/00/543703800.db2.gz WTSUAXXELBTEFV-IBGZPJMESA-N 1 2 361.486 2.260 20 30 FEEDLO C=CCNC(=O)C[NH+]1CCN(Cc2ccc(Br)cc2C)CC1 ZINC000122251157 543705201 /nfs/dbraw/zinc/70/52/01/543705201.db2.gz RXMBAAQVBAXDKZ-UHFFFAOYSA-N 1 2 366.303 2.177 20 30 FEEDLO C#CCC[NH+]1CCN(C(=O)c2cc(OC)c(Br)s2)CC1 ZINC000124101530 543800938 /nfs/dbraw/zinc/80/09/38/543800938.db2.gz JLGLJEPFCCUQDC-UHFFFAOYSA-N 1 2 357.273 2.300 20 30 FEEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCN(CC(F)F)CC1 ZINC000127117863 543974317 /nfs/dbraw/zinc/97/43/17/543974317.db2.gz HAVFBFQXZVBAMV-SWKXRBFHSA-N 1 2 356.461 2.188 20 30 FEEDLO Cc1ccccc1CNC(=O)[C@H](C)[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000127487496 543996055 /nfs/dbraw/zinc/99/60/55/543996055.db2.gz RZNMENRDAGMVDU-KRWDZBQOSA-N 1 2 363.465 2.089 20 30 FEEDLO COCC[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)Cc1ccccc1 ZINC000128160514 544036250 /nfs/dbraw/zinc/03/62/50/544036250.db2.gz ITVQJVPGTGJTEE-UHFFFAOYSA-N 1 2 358.463 2.481 20 30 FEEDLO COCC[N@@H+](CCS(=O)(=O)c1cccc(C#N)c1)Cc1ccccc1 ZINC000128160514 544036252 /nfs/dbraw/zinc/03/62/52/544036252.db2.gz ITVQJVPGTGJTEE-UHFFFAOYSA-N 1 2 358.463 2.481 20 30 FEEDLO CCCOc1ccc(/C=[NH+]/C[C@@H]2CCC[C@H]2NS(C)(=O)=O)c(O)c1 ZINC000129371359 544108771 /nfs/dbraw/zinc/10/87/71/544108771.db2.gz IPVRNEBLJFEVPW-KLFQZFQVSA-N 1 2 354.472 2.318 20 30 FEEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCOC2(CCOCC2)C1 ZINC000135605771 544355921 /nfs/dbraw/zinc/35/59/21/544355921.db2.gz JHWPQNMTHGIETQ-HFCFLWKCSA-N 1 2 363.502 2.187 20 30 FEEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCOC2(CCOCC2)C1 ZINC000135605771 544355924 /nfs/dbraw/zinc/35/59/24/544355924.db2.gz JHWPQNMTHGIETQ-HFCFLWKCSA-N 1 2 363.502 2.187 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)NCc2ccc(N3CCCC3)[nH+]c2)c(F)c1 ZINC000151049645 544500172 /nfs/dbraw/zinc/50/01/72/544500172.db2.gz LNSQDHVLAGBFNW-UHFFFAOYSA-N 1 2 360.414 2.171 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)NCc2cccc(Cn3cc[nH+]c3)c2)c(F)c1 ZINC000151059853 544501155 /nfs/dbraw/zinc/50/11/55/544501155.db2.gz JMSDYVYLRRAKST-UHFFFAOYSA-N 1 2 370.409 2.421 20 30 FEEDLO N#Cc1cc(F)c(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c(F)c1 ZINC000151669913 544567760 /nfs/dbraw/zinc/56/77/60/544567760.db2.gz YUNHBHSIDIAWOQ-MRXNPFEDSA-N 1 2 371.387 2.467 20 30 FEEDLO N#Cc1cc(F)c(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c(F)c1 ZINC000151669913 544567764 /nfs/dbraw/zinc/56/77/64/544567764.db2.gz YUNHBHSIDIAWOQ-MRXNPFEDSA-N 1 2 371.387 2.467 20 30 FEEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CCC(C)(C)c2ccccc2)CC1 ZINC000153104994 544733845 /nfs/dbraw/zinc/73/38/45/544733845.db2.gz PFDLKFYFIYPAOD-UHFFFAOYSA-N 1 2 369.509 2.028 20 30 FEEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CCC(C)(C)c2ccccc2)CC1 ZINC000153104994 544733849 /nfs/dbraw/zinc/73/38/49/544733849.db2.gz PFDLKFYFIYPAOD-UHFFFAOYSA-N 1 2 369.509 2.028 20 30 FEEDLO N#Cc1ccsc1NC(=O)CCN1CC[NH+](Cc2ccncc2)CC1 ZINC000152766534 544694089 /nfs/dbraw/zinc/69/40/89/544694089.db2.gz NVYGFEXPUFBVOQ-UHFFFAOYSA-N 1 2 355.467 2.161 20 30 FEEDLO CCCn1c2ccccc2nc1CN(CCC#N)CC[NH+]1CCOCC1 ZINC000154813621 544952308 /nfs/dbraw/zinc/95/23/08/544952308.db2.gz YFGWPFSEVFENRR-UHFFFAOYSA-N 1 2 355.486 2.494 20 30 FEEDLO COC(=O)C1([NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)CCCCCC1 ZINC000154859686 544958043 /nfs/dbraw/zinc/95/80/43/544958043.db2.gz OMZWKDJGAPBTBM-QGZVFWFLSA-N 1 2 360.454 2.348 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)Cc1cn(C)nc1C(F)(F)F ZINC000155069056 544983772 /nfs/dbraw/zinc/98/37/72/544983772.db2.gz XPKBTRFPTOZADY-NHYWBVRUSA-N 1 2 359.396 2.314 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@@H+](C)Cc1cn(C)nc1C(F)(F)F ZINC000155069056 544983774 /nfs/dbraw/zinc/98/37/74/544983774.db2.gz XPKBTRFPTOZADY-NHYWBVRUSA-N 1 2 359.396 2.314 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(c3ncccn3)CC2)c(Br)c1 ZINC000180901966 327707048 /nfs/dbraw/zinc/70/70/48/327707048.db2.gz LEGUZGHBUIKSTG-UHFFFAOYSA-N 1 2 358.243 2.433 20 30 FEEDLO CCOC1CC(CNc2nnc(CC)c(CC)c2C#N)([NH+]2CCOCC2)C1 ZINC000195315465 328470750 /nfs/dbraw/zinc/47/07/50/328470750.db2.gz RNBMULCVNSYGLM-UHFFFAOYSA-N 1 2 373.501 2.155 20 30 FEEDLO Cc1nc(C(=O)N2CC[NH+](CCOc3ccccc3)CC2)ccc1C#N ZINC000032198469 324474213 /nfs/dbraw/zinc/47/42/13/324474213.db2.gz GQIZEJQYMUBDSU-UHFFFAOYSA-N 1 2 350.422 2.099 20 30 FEEDLO COCC[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)Cc1ccccc1 ZINC000081512282 325179602 /nfs/dbraw/zinc/17/96/02/325179602.db2.gz WFIPWDHEPOZEPH-UHFFFAOYSA-N 1 2 358.463 2.481 20 30 FEEDLO COCC[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)Cc1ccccc1 ZINC000081512282 325179604 /nfs/dbraw/zinc/17/96/04/325179604.db2.gz WFIPWDHEPOZEPH-UHFFFAOYSA-N 1 2 358.463 2.481 20 30 FEEDLO N#Cc1ccc2[nH+]cc(CN3CCN(CC(F)(F)C(F)F)CC3)n2c1 ZINC000093416497 325444407 /nfs/dbraw/zinc/44/44/07/325444407.db2.gz QFRIMKOYSLQSGO-UHFFFAOYSA-N 1 2 355.339 2.224 20 30 FEEDLO Cc1cc(NC(=O)C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)on1 ZINC000116401473 326011510 /nfs/dbraw/zinc/01/15/10/326011510.db2.gz WGOIPWAERLBWBL-UHFFFAOYSA-N 1 2 367.409 2.144 20 30 FEEDLO N#Cc1ccc2[nH+]cc(CN3CCN(C(=O)c4cccs4)CC3)n2c1 ZINC000119099059 326126997 /nfs/dbraw/zinc/12/69/97/326126997.db2.gz LUABCBIPKSEDDP-UHFFFAOYSA-N 1 2 351.435 2.225 20 30 FEEDLO C[C@@H]1C[C@@H](C)CN(C(=O)CN2CC[NH+](Cc3cc(C#N)cs3)CC2)C1 ZINC000121411735 326336888 /nfs/dbraw/zinc/33/68/88/326336888.db2.gz UPZMNFRJYVPHEC-HZPDHXFCSA-N 1 2 360.527 2.242 20 30 FEEDLO C[C@@H]1CCN(C(=O)NCCOc2ccc(C#N)cc2)C[C@H]1n1cc[nH+]c1 ZINC000154006946 326748667 /nfs/dbraw/zinc/74/86/67/326748667.db2.gz ZJWCDVCGXHPZGH-CRAIPNDOSA-N 1 2 353.426 2.426 20 30 FEEDLO CC1(C)COCC[N@@H+]1CCNC(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000171085042 327116845 /nfs/dbraw/zinc/11/68/45/327116845.db2.gz LKFCYLNLKAOPLK-UHFFFAOYSA-N 1 2 368.384 2.392 20 30 FEEDLO CC1(C)COCC[N@H+]1CCNC(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000171085042 327116846 /nfs/dbraw/zinc/11/68/46/327116846.db2.gz LKFCYLNLKAOPLK-UHFFFAOYSA-N 1 2 368.384 2.392 20 30 FEEDLO COC(=O)[C@H]1CC12CC[NH+]([C@H](C)C(=O)Nc1oc(C)c(C)c1C#N)CC2 ZINC000264979877 329080397 /nfs/dbraw/zinc/08/03/97/329080397.db2.gz AERNEFPVJUDNLB-IUODEOHRSA-N 1 2 359.426 2.370 20 30 FEEDLO CCc1cc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)n(C)n1 ZINC000265214726 329103095 /nfs/dbraw/zinc/10/30/95/329103095.db2.gz ACGAAJNQHDPQCP-UHFFFAOYSA-N 1 2 352.442 2.204 20 30 FEEDLO COC(=O)[C@@H]1CC12CC[NH+](CC(=O)Nc1sc(C)c(C)c1C#N)CC2 ZINC000267428641 329326171 /nfs/dbraw/zinc/32/61/71/329326171.db2.gz YCZVYKURWPQFOG-AWEZNQCLSA-N 1 2 361.467 2.450 20 30 FEEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CCCN(c3nccs3)CC2)C1=O ZINC000267565242 329338903 /nfs/dbraw/zinc/33/89/03/329338903.db2.gz BTPZOPMGRGCIKG-AWEZNQCLSA-N 1 2 373.507 2.394 20 30 FEEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CCCN(c3nccs3)CC2)C1=O ZINC000267565242 329338905 /nfs/dbraw/zinc/33/89/05/329338905.db2.gz BTPZOPMGRGCIKG-AWEZNQCLSA-N 1 2 373.507 2.394 20 30 FEEDLO N#Cc1cc(F)c(S(=O)(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(F)c1 ZINC000268135471 329388967 /nfs/dbraw/zinc/38/89/67/329388967.db2.gz DFWYXYDVLKSQOB-LLVKDONJSA-N 1 2 352.366 2.128 20 30 FEEDLO CCc1nnc(NCc2ccc[nH+]c2N2CCOCC2)c(C#N)c1CC ZINC000268238549 329400419 /nfs/dbraw/zinc/40/04/19/329400419.db2.gz UMUTVSYKQALDGZ-UHFFFAOYSA-N 1 2 352.442 2.317 20 30 FEEDLO COc1cc(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)cc(OC)c1OC ZINC000271048299 329657182 /nfs/dbraw/zinc/65/71/82/329657182.db2.gz SPAHTKWTVIUKHY-UHFFFAOYSA-N 1 2 368.437 2.301 20 30 FEEDLO COCCOCCOCC[N@H+](C)Cc1ccc(C#N)cc1Br ZINC000276280956 330136515 /nfs/dbraw/zinc/13/65/15/330136515.db2.gz RSAXDUBEHCDKKQ-UHFFFAOYSA-N 1 2 371.275 2.432 20 30 FEEDLO COCCOCCOCC[N@@H+](C)Cc1ccc(C#N)cc1Br ZINC000276280956 330136517 /nfs/dbraw/zinc/13/65/17/330136517.db2.gz RSAXDUBEHCDKKQ-UHFFFAOYSA-N 1 2 371.275 2.432 20 30 FEEDLO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@@H]1C(=O)NCC1CCOCC1 ZINC000367072864 330213930 /nfs/dbraw/zinc/21/39/30/330213930.db2.gz PMLNDIHZHRBYQS-GOSISDBHSA-N 1 2 357.454 2.074 20 30 FEEDLO COc1ccc(C#N)cc1C[N@H+]1CCC[C@@H]1C(=O)NCC1CCOCC1 ZINC000367072864 330213931 /nfs/dbraw/zinc/21/39/31/330213931.db2.gz PMLNDIHZHRBYQS-GOSISDBHSA-N 1 2 357.454 2.074 20 30 FEEDLO N#Cc1ccc(OCCC[NH+]2CCN(C3(C(N)=O)CCCCC3)CC2)cc1 ZINC000369329553 330240129 /nfs/dbraw/zinc/24/01/29/330240129.db2.gz LMWUTHQRDYXJEC-UHFFFAOYSA-N 1 2 370.497 2.133 20 30 FEEDLO N#CCC[C@H](C#N)C[NH2+]Cc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000554487765 674319413 /nfs/dbraw/zinc/31/94/13/674319413.db2.gz JNIQZDNBEFGWEC-QGZVFWFLSA-N 1 2 360.483 2.394 20 30 FEEDLO COc1cccc(OCC[NH+]2CCN(Cc3nc(C#N)cs3)CC2)c1 ZINC000555091520 674347529 /nfs/dbraw/zinc/34/75/29/674347529.db2.gz FDIAUYGYYOHOMS-UHFFFAOYSA-N 1 2 358.467 2.220 20 30 FEEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1nc2cc(F)ccc2o1 ZINC000155519709 545536932 /nfs/dbraw/zinc/53/69/32/545536932.db2.gz ZVGDZGKGXHBULO-GFCCVEGCSA-N 1 2 352.373 2.339 20 30 FEEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1nc2cc(F)ccc2o1 ZINC000155519709 545536935 /nfs/dbraw/zinc/53/69/35/545536935.db2.gz ZVGDZGKGXHBULO-GFCCVEGCSA-N 1 2 352.373 2.339 20 30 FEEDLO C=CCn1c(=O)c2ccc(C(=O)N3CCC[C@H]([C@H](C)[NH3+])C3)cc2[nH]c1=S ZINC000156370142 545622369 /nfs/dbraw/zinc/62/23/69/545622369.db2.gz ZNVXTJCTVPDUFP-JSGCOSHPSA-N 1 2 372.494 2.071 20 30 FEEDLO CN(CCC#N)c1ccc(C[NH+]2CCN(C(=O)c3cccnc3)CC2)cc1 ZINC000156892312 545673368 /nfs/dbraw/zinc/67/33/68/545673368.db2.gz CXCFDPWZAKGBPI-UHFFFAOYSA-N 1 2 363.465 2.389 20 30 FEEDLO CC(C)C(=O)NCC[N@H+](C)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000157697899 545771331 /nfs/dbraw/zinc/77/13/31/545771331.db2.gz QCMCHTLQRNYPQH-LBPRGKRZSA-N 1 2 362.499 2.139 20 30 FEEDLO CC(C)C(=O)NCC[N@@H+](C)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000157697899 545771336 /nfs/dbraw/zinc/77/13/36/545771336.db2.gz QCMCHTLQRNYPQH-LBPRGKRZSA-N 1 2 362.499 2.139 20 30 FEEDLO Cc1nc2cc(NC(=O)N(CCC#N)CC[NH+]3CCOCC3)ccc2o1 ZINC000158085392 545820672 /nfs/dbraw/zinc/82/06/72/545820672.db2.gz CHOWYNPRQUIGJH-UHFFFAOYSA-N 1 2 357.414 2.216 20 30 FEEDLO C[C@@H]1C[C@@H](C)CN(C(=O)C[NH+]2CCN(Cc3cc(F)ccc3C#N)CC2)C1 ZINC000158272199 545842545 /nfs/dbraw/zinc/84/25/45/545842545.db2.gz FDHVZCCYUDQMIF-IAGOWNOFSA-N 1 2 372.488 2.319 20 30 FEEDLO C=CCN1C(=O)N[C@H](c2ccc(N3CCCC3)[nH+]c2)C(C(=O)OC)=C1C ZINC000158765012 545892905 /nfs/dbraw/zinc/89/29/05/545892905.db2.gz OIFVUFWZMJWJPX-QGZVFWFLSA-N 1 2 356.426 2.381 20 30 FEEDLO Cc1nc(C[N@@H+](C)[C@H]2CCCN(C(=O)c3ccc(C#N)c(O)c3)CC2)no1 ZINC000478339496 561164535 /nfs/dbraw/zinc/16/45/35/561164535.db2.gz MBXWXAHKTCHSOE-INIZCTEOSA-N 1 2 369.425 2.082 20 30 FEEDLO Cc1nc(C[N@H+](C)[C@H]2CCCN(C(=O)c3ccc(C#N)c(O)c3)CC2)no1 ZINC000478339496 561164536 /nfs/dbraw/zinc/16/45/36/561164536.db2.gz MBXWXAHKTCHSOE-INIZCTEOSA-N 1 2 369.425 2.082 20 30 FEEDLO C[C@H]1CCCCN1C(=O)C[NH+]1CCN(Cc2ccc(F)c(C#N)c2)CC1 ZINC000160740620 546068410 /nfs/dbraw/zinc/06/84/10/546068410.db2.gz HPBCGZXBOVIQEP-INIZCTEOSA-N 1 2 358.461 2.216 20 30 FEEDLO CC(C)n1cc(C#N)c(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000161032520 546095281 /nfs/dbraw/zinc/09/52/81/546095281.db2.gz ZWLKGAKHTFYBSP-QGZVFWFLSA-N 1 2 353.426 2.175 20 30 FEEDLO CC(C)n1cc(C#N)c(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000161032520 546095284 /nfs/dbraw/zinc/09/52/84/546095284.db2.gz ZWLKGAKHTFYBSP-QGZVFWFLSA-N 1 2 353.426 2.175 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1ccc(N2CCCCC2)cc1 ZINC000174154596 546292911 /nfs/dbraw/zinc/29/29/11/546292911.db2.gz CINDTHMTIVBBOC-UHFFFAOYSA-N 1 2 370.497 2.365 20 30 FEEDLO C=CCCS(=O)(=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000480962226 561221463 /nfs/dbraw/zinc/22/14/63/561221463.db2.gz WVCRSEJKKRCAOL-UHFFFAOYSA-N 1 2 358.891 2.242 20 30 FEEDLO N#Cc1ccc([C@@H](O)C[NH+]2CCN(C(=O)c3cccc(F)c3)CC2)cc1 ZINC000177993795 546719064 /nfs/dbraw/zinc/71/90/64/546719064.db2.gz JYFLNCJCRVHQDZ-IBGZPJMESA-N 1 2 353.397 2.189 20 30 FEEDLO C=CCC[C@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000178029796 546726409 /nfs/dbraw/zinc/72/64/09/546726409.db2.gz FTGMGEXXGBBGIZ-LBPRGKRZSA-N 1 2 364.920 2.035 20 30 FEEDLO COc1ccc(CC(N)=[NH+]O[C@H](C)C(=O)NCCc2cccs2)cc1 ZINC000178147768 546746804 /nfs/dbraw/zinc/74/68/04/546746804.db2.gz BENUPBSXAGCZSR-CYBMUJFWSA-N 1 2 361.467 2.335 20 30 FEEDLO Cc1nn(CCC#N)c(C)c1CCC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178352524 546779770 /nfs/dbraw/zinc/77/97/70/546779770.db2.gz NBAPVKSNIFDADC-UHFFFAOYSA-N 1 2 350.426 2.310 20 30 FEEDLO N#CC1(CS(=O)(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)CC1 ZINC000180396269 547100627 /nfs/dbraw/zinc/10/06/27/547100627.db2.gz RXWXXJQYXWBHSG-UHFFFAOYSA-N 1 2 367.902 2.481 20 30 FEEDLO N#CC1(CS(=O)(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)CC1 ZINC000180396269 547100630 /nfs/dbraw/zinc/10/06/30/547100630.db2.gz RXWXXJQYXWBHSG-UHFFFAOYSA-N 1 2 367.902 2.481 20 30 FEEDLO Cc1ccccc1O[C@H](C)C(=O)N1CC[NH+](Cc2cc(C#N)n(C)c2)CC1 ZINC000483284671 561272979 /nfs/dbraw/zinc/27/29/79/561272979.db2.gz ICODBPXPTUVILL-QGZVFWFLSA-N 1 2 366.465 2.317 20 30 FEEDLO N#Cc1ccc(N2CCC[C@@H]([NH+]3CCN(c4ccccn4)CC3)C2=O)cc1 ZINC000182640708 547526912 /nfs/dbraw/zinc/52/69/12/547526912.db2.gz JMWPEQBLIHLBOG-LJQANCHMSA-N 1 2 361.449 2.271 20 30 FEEDLO COc1c(C)c[nH+]c(CN(C)C(=O)C(=O)Nc2ccc(C#N)cc2F)c1C ZINC000182723402 547541170 /nfs/dbraw/zinc/54/11/70/547541170.db2.gz QYVCOGUYUZBXHA-UHFFFAOYSA-N 1 2 370.384 2.315 20 30 FEEDLO Cc1nc(N2CCN(CC(=O)Nc3cc(Cl)ccc3C#N)CC2)cc[nH+]1 ZINC000183779553 547718244 /nfs/dbraw/zinc/71/82/44/547718244.db2.gz LZAZJRCBMRFVND-UHFFFAOYSA-N 1 2 370.844 2.071 20 30 FEEDLO C=C(C)C[C@H](C)C(=O)N1CC[NH+](CCNC(=O)c2ccc(OC)cc2)CC1 ZINC000183818908 547725052 /nfs/dbraw/zinc/72/50/52/547725052.db2.gz YZHAUYPZTIDKAA-KRWDZBQOSA-N 1 2 373.497 2.172 20 30 FEEDLO C=CCc1ccc(OC[C@H](O)C[N@H+]2C[C@@H](C)[S@](=O)[C@@H](C)C2)c(OC)c1 ZINC000484727815 561304585 /nfs/dbraw/zinc/30/45/85/561304585.db2.gz MFLFCZQIDAZGJE-BPCAQTKCSA-N 1 2 367.511 2.005 20 30 FEEDLO C=CCc1ccc(OC[C@H](O)C[N@@H+]2C[C@@H](C)[S@](=O)[C@@H](C)C2)c(OC)c1 ZINC000484727815 561304586 /nfs/dbraw/zinc/30/45/86/561304586.db2.gz MFLFCZQIDAZGJE-BPCAQTKCSA-N 1 2 367.511 2.005 20 30 FEEDLO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1nc(C(C)(C)C)no1 ZINC000185171938 547946102 /nfs/dbraw/zinc/94/61/02/547946102.db2.gz VTDNGLBVZFXLHY-GFCCVEGCSA-N 1 2 362.455 2.363 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@H](C)c1nc(Cc2ccccc2)no1 ZINC000185377535 547976813 /nfs/dbraw/zinc/97/68/13/547976813.db2.gz ZHYPXGTXOXAXAT-KUHUBIRLSA-N 1 2 355.442 2.365 20 30 FEEDLO C[C@H]([NH2+]CC(=O)N[C@](C)(C#N)C1CC1)c1nc(Cc2ccccc2)no1 ZINC000185383695 547977869 /nfs/dbraw/zinc/97/78/69/547977869.db2.gz YSJKMPYTFQOJOK-ORAYPTAESA-N 1 2 353.426 2.119 20 30 FEEDLO C=C(C)COCCNC(=O)Nc1ccccc1C[NH+]1CCN(C(C)=O)CC1 ZINC000186874608 548209909 /nfs/dbraw/zinc/20/99/09/548209909.db2.gz PQCCJCAKMPFVFT-UHFFFAOYSA-N 1 2 374.485 2.065 20 30 FEEDLO C#CCOc1ccccc1NC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000188091299 548271530 /nfs/dbraw/zinc/27/15/30/548271530.db2.gz SOQVXXNADZTDEU-UHFFFAOYSA-N 1 2 350.422 2.443 20 30 FEEDLO C=CCN(CCOC)C(=O)NC[C@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000190974372 548337640 /nfs/dbraw/zinc/33/76/40/548337640.db2.gz MWWWSUNVGXONDP-LJQANCHMSA-N 1 2 361.486 2.212 20 30 FEEDLO C[C@@H]1CN(CC[N@H+](C)CC(=O)Nc2cc(Cl)ccc2C#N)C[C@H](C)O1 ZINC000195322292 548622485 /nfs/dbraw/zinc/62/24/85/548622485.db2.gz YZOJHUMUZDUUQV-OKILXGFUSA-N 1 2 364.877 2.191 20 30 FEEDLO C[C@@H]1CN(CC[N@@H+](C)CC(=O)Nc2cc(Cl)ccc2C#N)C[C@H](C)O1 ZINC000195322292 548622489 /nfs/dbraw/zinc/62/24/89/548622489.db2.gz YZOJHUMUZDUUQV-OKILXGFUSA-N 1 2 364.877 2.191 20 30 FEEDLO C=CCCC[C@H](C)NC(=O)C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000487805659 561376276 /nfs/dbraw/zinc/37/62/76/561376276.db2.gz WIAOKZWDIWAUGN-IRXDYDNUSA-N 1 2 358.486 2.148 20 30 FEEDLO COC(=O)[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000245402498 548907864 /nfs/dbraw/zinc/90/78/64/548907864.db2.gz IGNDQGCZYYTEDK-VXGBXAGGSA-N 1 2 361.467 2.320 20 30 FEEDLO COC(=O)[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000245402498 548907867 /nfs/dbraw/zinc/90/78/67/548907867.db2.gz IGNDQGCZYYTEDK-VXGBXAGGSA-N 1 2 361.467 2.320 20 30 FEEDLO C=CC[N@H+](Cc1ncnn1CC(F)F)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000487918952 561378739 /nfs/dbraw/zinc/37/87/39/561378739.db2.gz OTXYTMIUINBSQO-CYBMUJFWSA-N 1 2 374.399 2.268 20 30 FEEDLO C=CC[N@@H+](Cc1ncnn1CC(F)F)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000487918952 561378740 /nfs/dbraw/zinc/37/87/40/561378740.db2.gz OTXYTMIUINBSQO-CYBMUJFWSA-N 1 2 374.399 2.268 20 30 FEEDLO C=CC[N@H+](Cc1ccc(OC[C@@H]2CCCO2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000245597009 548954758 /nfs/dbraw/zinc/95/47/58/548954758.db2.gz HQAVJYSPLOSIGK-HKUYNNGSSA-N 1 2 365.495 2.420 20 30 FEEDLO C=CC[N@@H+](Cc1ccc(OC[C@@H]2CCCO2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000245597009 548954761 /nfs/dbraw/zinc/95/47/61/548954761.db2.gz HQAVJYSPLOSIGK-HKUYNNGSSA-N 1 2 365.495 2.420 20 30 FEEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCO[C@H]([C@H]2CCCO2)C1 ZINC000247069988 549276346 /nfs/dbraw/zinc/27/63/46/549276346.db2.gz IUSNOXQYMQLJRW-QRQLOZEOSA-N 1 2 357.454 2.202 20 30 FEEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCO[C@H]([C@H]2CCCO2)C1 ZINC000247069988 549276348 /nfs/dbraw/zinc/27/63/48/549276348.db2.gz IUSNOXQYMQLJRW-QRQLOZEOSA-N 1 2 357.454 2.202 20 30 FEEDLO C[N@@H+]1CC[C@H](NS(=O)(=O)CC2(C#N)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000248656699 549478388 /nfs/dbraw/zinc/47/83/88/549478388.db2.gz WVJDNWVXMRLPOY-LSDHHAIUSA-N 1 2 353.875 2.308 20 30 FEEDLO C[N@H+]1CC[C@H](NS(=O)(=O)CC2(C#N)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000248656699 549478392 /nfs/dbraw/zinc/47/83/92/549478392.db2.gz WVJDNWVXMRLPOY-LSDHHAIUSA-N 1 2 353.875 2.308 20 30 FEEDLO CO[C@@H]1CC[C@@H]2OCC[N@@H+]([C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)[C@H]2C1 ZINC000248734763 549493103 /nfs/dbraw/zinc/49/31/03/549493103.db2.gz KKHOSXYXWAJQQX-ZRNYENFQSA-N 1 2 369.465 2.322 20 30 FEEDLO CO[C@@H]1CC[C@@H]2OCC[N@H+]([C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)[C@H]2C1 ZINC000248734763 549493105 /nfs/dbraw/zinc/49/31/05/549493105.db2.gz KKHOSXYXWAJQQX-ZRNYENFQSA-N 1 2 369.465 2.322 20 30 FEEDLO Cn1cc[nH+]c1[C@H](NS(=O)(=O)CCCCC#N)c1ccc(F)cc1 ZINC000264093733 549978453 /nfs/dbraw/zinc/97/84/53/549978453.db2.gz GOONAJDCMYCEDL-OAHLLOKOSA-N 1 2 350.419 2.262 20 30 FEEDLO Cn1cc[nH+]c1[C@@H](NS(=O)(=O)CCCCC#N)c1ccccc1F ZINC000264557377 549997787 /nfs/dbraw/zinc/99/77/87/549997787.db2.gz MWEDPNMCNUSNSJ-HNNXBMFYSA-N 1 2 350.419 2.262 20 30 FEEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C)[C@@H]1CCN(C)C1=O ZINC000265642891 550012875 /nfs/dbraw/zinc/01/28/75/550012875.db2.gz KKVKJOZVZGDBEM-DZGCQCFKSA-N 1 2 360.483 2.182 20 30 FEEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC000265642891 550012877 /nfs/dbraw/zinc/01/28/77/550012877.db2.gz KKVKJOZVZGDBEM-DZGCQCFKSA-N 1 2 360.483 2.182 20 30 FEEDLO COCCCOc1cccc(CN(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000269380040 550187729 /nfs/dbraw/zinc/18/77/29/550187729.db2.gz XJGSGAUAUSCICD-UHFFFAOYSA-N 1 2 361.486 2.150 20 30 FEEDLO COC(=O)C(C)(C)N1CC[NH+](Cc2ccc(C#N)cc2OC(F)F)CC1 ZINC000494421137 561469282 /nfs/dbraw/zinc/46/92/82/561469282.db2.gz XQOFUEGRTDGTPA-UHFFFAOYSA-N 1 2 367.396 2.229 20 30 FEEDLO Cc1ccc(S(=O)(=O)N2CCC(C#N)([NH+](C)C)CC2)c2cccnc12 ZINC000274671948 550548664 /nfs/dbraw/zinc/54/86/64/550548664.db2.gz HNZLYJYJNNDHAB-UHFFFAOYSA-N 1 2 358.467 2.152 20 30 FEEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@@H](C)c1nncn1C ZINC000275237118 550571311 /nfs/dbraw/zinc/57/13/11/550571311.db2.gz WPHIOQALSVVBMG-OLZOCXBDSA-N 1 2 358.471 2.499 20 30 FEEDLO C[N@@H+]1CCO[C@H](CN(CC2CC2)C(=O)c2ccc(C3(C#N)CC3)cc2)C1 ZINC000276516319 550578770 /nfs/dbraw/zinc/57/87/70/550578770.db2.gz QIFQANBIALLIAP-IBGZPJMESA-N 1 2 353.466 2.425 20 30 FEEDLO C[N@H+]1CCO[C@H](CN(CC2CC2)C(=O)c2ccc(C3(C#N)CC3)cc2)C1 ZINC000276516319 550578771 /nfs/dbraw/zinc/57/87/71/550578771.db2.gz QIFQANBIALLIAP-IBGZPJMESA-N 1 2 353.466 2.425 20 30 FEEDLO C[C@](C#N)(NC(=O)C[NH+]1CCN(c2cncc3ccccc32)CC1)C1CC1 ZINC000276480352 550578852 /nfs/dbraw/zinc/57/88/52/550578852.db2.gz RYTIJJVSNVABNB-OAQYLSRUSA-N 1 2 363.465 2.165 20 30 FEEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3c(F)ccc(O)c3O)CC2)cc1 ZINC000276576367 550579492 /nfs/dbraw/zinc/57/94/92/550579492.db2.gz LQUSYPASJGDELG-UHFFFAOYSA-N 1 2 369.396 2.457 20 30 FEEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3c(F)ccc(O)c3O)CC2)cc1 ZINC000276576367 550579493 /nfs/dbraw/zinc/57/94/93/550579493.db2.gz LQUSYPASJGDELG-UHFFFAOYSA-N 1 2 369.396 2.457 20 30 FEEDLO C=CC[N@@H+](CCC(=O)Nc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000277395484 550665196 /nfs/dbraw/zinc/66/51/96/550665196.db2.gz DZHYPVNWHRINAC-HNNXBMFYSA-N 1 2 356.875 2.344 20 30 FEEDLO C=CC[N@H+](CCC(=O)Nc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000277395484 550665198 /nfs/dbraw/zinc/66/51/98/550665198.db2.gz DZHYPVNWHRINAC-HNNXBMFYSA-N 1 2 356.875 2.344 20 30 FEEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)C1=O ZINC000277881398 550724767 /nfs/dbraw/zinc/72/47/67/550724767.db2.gz VJUGRGVSVKMQQK-AGIUHOORSA-N 1 2 373.400 2.360 20 30 FEEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)C1=O ZINC000277881398 550724768 /nfs/dbraw/zinc/72/47/68/550724768.db2.gz VJUGRGVSVKMQQK-AGIUHOORSA-N 1 2 373.400 2.360 20 30 FEEDLO CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000278741757 550816903 /nfs/dbraw/zinc/81/69/03/550816903.db2.gz AGJHRSFMZXFWSQ-UHFFFAOYSA-N 1 2 364.409 2.017 20 30 FEEDLO CC1(C)COc2c1cccc2C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000279203648 550864432 /nfs/dbraw/zinc/86/44/32/550864432.db2.gz KHKHCHVTQNEOQH-UHFFFAOYSA-N 1 2 357.454 2.045 20 30 FEEDLO C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCN(c2cncc3ccccc32)CC1 ZINC000279349013 550880337 /nfs/dbraw/zinc/88/03/37/550880337.db2.gz VJTFASGGCHGNLR-INIZCTEOSA-N 1 2 351.454 2.117 20 30 FEEDLO C#CCn1ccc(C[N@@H+](CC)[C@@H]2CCN(c3ccccc3OC)C2=O)n1 ZINC000279688816 550917223 /nfs/dbraw/zinc/91/72/23/550917223.db2.gz HKCIFRXSIJPODT-GOSISDBHSA-N 1 2 352.438 2.152 20 30 FEEDLO C#CCn1ccc(C[N@H+](CC)[C@@H]2CCN(c3ccccc3OC)C2=O)n1 ZINC000279688816 550917224 /nfs/dbraw/zinc/91/72/24/550917224.db2.gz HKCIFRXSIJPODT-GOSISDBHSA-N 1 2 352.438 2.152 20 30 FEEDLO C#CCn1ccc(C[N@@H+](CC)[C@H](C)C(=O)Nc2ccc3c(c2)OCO3)n1 ZINC000279725602 550921676 /nfs/dbraw/zinc/92/16/76/550921676.db2.gz MISQIMMRHWVWLF-CQSZACIVSA-N 1 2 354.410 2.094 20 30 FEEDLO C#CCn1ccc(C[N@H+](CC)[C@H](C)C(=O)Nc2ccc3c(c2)OCO3)n1 ZINC000279725602 550921677 /nfs/dbraw/zinc/92/16/77/550921677.db2.gz MISQIMMRHWVWLF-CQSZACIVSA-N 1 2 354.410 2.094 20 30 FEEDLO C[C@H]1OCC[C@]12C[N@H+](Cc1nnc(-c3ccc(C#N)cc3)o1)C[C@@H](C)O2 ZINC000279746909 550924459 /nfs/dbraw/zinc/92/44/59/550924459.db2.gz LBEJVFXJIPSACW-LPMFXHHGSA-N 1 2 354.410 2.377 20 30 FEEDLO C[C@H]1OCC[C@]12C[N@@H+](Cc1nnc(-c3ccc(C#N)cc3)o1)C[C@@H](C)O2 ZINC000279746909 550924461 /nfs/dbraw/zinc/92/44/61/550924461.db2.gz LBEJVFXJIPSACW-LPMFXHHGSA-N 1 2 354.410 2.377 20 30 FEEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000280318391 550979897 /nfs/dbraw/zinc/97/98/97/550979897.db2.gz GXAAVTVSIPRJEN-VBHSOAQHSA-N 1 2 363.845 2.418 20 30 FEEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000280318391 550979898 /nfs/dbraw/zinc/97/98/98/550979898.db2.gz GXAAVTVSIPRJEN-VBHSOAQHSA-N 1 2 363.845 2.418 20 30 FEEDLO Cc1oc(C#N)cc1C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000280830225 551036610 /nfs/dbraw/zinc/03/66/10/551036610.db2.gz WDWUOJCPALRZNP-UHFFFAOYSA-N 1 2 369.421 2.101 20 30 FEEDLO CN(CC[NH+]1CCOCC1)c1c(C#N)cnc2c(F)c(F)c(F)cc21 ZINC000281016686 551055350 /nfs/dbraw/zinc/05/53/50/551055350.db2.gz RNSHKINHYBLMOM-UHFFFAOYSA-N 1 2 350.344 2.292 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C(=O)Nc2ccc(OC(F)F)cc2)C1=O ZINC000281373072 551089627 /nfs/dbraw/zinc/08/96/27/551089627.db2.gz OQYQXKBBIDWKGB-DOMZBBRYSA-N 1 2 367.396 2.334 20 30 FEEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)C(=O)Nc2ccc(OC(F)F)cc2)C1=O ZINC000281373072 551089629 /nfs/dbraw/zinc/08/96/29/551089629.db2.gz OQYQXKBBIDWKGB-DOMZBBRYSA-N 1 2 367.396 2.334 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000281594341 551118069 /nfs/dbraw/zinc/11/80/69/551118069.db2.gz VRHZYFMJEADRGX-QUCCMNQESA-N 1 2 373.497 2.299 20 30 FEEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000281848582 551147869 /nfs/dbraw/zinc/14/78/69/551147869.db2.gz RTLPZGRXVVLFBJ-DOTOQJQBSA-N 1 2 364.515 2.342 20 30 FEEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000281848582 551147872 /nfs/dbraw/zinc/14/78/72/551147872.db2.gz RTLPZGRXVVLFBJ-DOTOQJQBSA-N 1 2 364.515 2.342 20 30 FEEDLO CC(=O)NCC[N@H+](CC(=O)NC1(C#N)CCCCC1)Cc1ccsc1 ZINC000282359980 551217088 /nfs/dbraw/zinc/21/70/88/551217088.db2.gz BHHUCCRLVJMHPG-UHFFFAOYSA-N 1 2 362.499 2.029 20 30 FEEDLO CC(=O)NCC[N@@H+](CC(=O)NC1(C#N)CCCCC1)Cc1ccsc1 ZINC000282359980 551217090 /nfs/dbraw/zinc/21/70/90/551217090.db2.gz BHHUCCRLVJMHPG-UHFFFAOYSA-N 1 2 362.499 2.029 20 30 FEEDLO Cc1ccc(C[N@H+](CCC#N)CCN2CCOCC2)c(-c2cnn(C)c2)c1 ZINC000282785657 551270304 /nfs/dbraw/zinc/27/03/04/551270304.db2.gz LKSRRXRGUYCFKL-UHFFFAOYSA-N 1 2 367.497 2.443 20 30 FEEDLO Cc1ccc(C[N@@H+](CCC#N)CCN2CCOCC2)c(-c2cnn(C)c2)c1 ZINC000282785657 551270306 /nfs/dbraw/zinc/27/03/06/551270306.db2.gz LKSRRXRGUYCFKL-UHFFFAOYSA-N 1 2 367.497 2.443 20 30 FEEDLO Cc1ccc(CN(CCC#N)CC[NH+]2CCOCC2)c(-c2cnn(C)c2)c1 ZINC000282785657 551270307 /nfs/dbraw/zinc/27/03/07/551270307.db2.gz LKSRRXRGUYCFKL-UHFFFAOYSA-N 1 2 367.497 2.443 20 30 FEEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H]2CCCCO2)CC1 ZINC000282879298 551281094 /nfs/dbraw/zinc/28/10/94/551281094.db2.gz CPNOHKLIZJVNCU-QGZVFWFLSA-N 1 2 369.469 2.171 20 30 FEEDLO C#CC[NH+]1CCN(c2nnc(-c3cccn3C)n2Cc2cccs2)CC1 ZINC000282965942 551290968 /nfs/dbraw/zinc/29/09/68/551290968.db2.gz KSMWGFAGLZFMRG-UHFFFAOYSA-N 1 2 366.494 2.149 20 30 FEEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)CCCCOc3cccc(C#N)c3)C[C@H]21 ZINC000284021846 551469948 /nfs/dbraw/zinc/46/99/48/551469948.db2.gz JHUWOPCNGRVBMK-RTBURBONSA-N 1 2 357.454 2.039 20 30 FEEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)CCCCOc3cccc(C#N)c3)C[C@H]21 ZINC000284021846 551469950 /nfs/dbraw/zinc/46/99/50/551469950.db2.gz JHUWOPCNGRVBMK-RTBURBONSA-N 1 2 357.454 2.039 20 30 FEEDLO C[N@@H+]1CCO[C@H]2CCN(C(=O)CCCCOc3cccc(C#N)c3)C[C@@H]21 ZINC000284021844 551470014 /nfs/dbraw/zinc/47/00/14/551470014.db2.gz JHUWOPCNGRVBMK-OALUTQOASA-N 1 2 357.454 2.039 20 30 FEEDLO C[N@H+]1CCO[C@H]2CCN(C(=O)CCCCOc3cccc(C#N)c3)C[C@@H]21 ZINC000284021844 551470016 /nfs/dbraw/zinc/47/00/16/551470016.db2.gz JHUWOPCNGRVBMK-OALUTQOASA-N 1 2 357.454 2.039 20 30 FEEDLO C=CCCCCNC(=O)C(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000284453351 551552562 /nfs/dbraw/zinc/55/25/62/551552562.db2.gz VLHKGJLTRHACRR-MRXNPFEDSA-N 1 2 358.417 2.237 20 30 FEEDLO Cc1noc([C@H]([NH2+]CC(=O)Nc2oc(C)c(C)c2C#N)C2CCOCC2)n1 ZINC000498360043 561523160 /nfs/dbraw/zinc/52/31/60/561523160.db2.gz WRACDFIFILVLIJ-MRXNPFEDSA-N 1 2 373.413 2.156 20 30 FEEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000284830844 551645727 /nfs/dbraw/zinc/64/57/27/551645727.db2.gz OVFXJMIBTMYGRZ-SJLPKXTDSA-N 1 2 358.442 2.282 20 30 FEEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000284830844 551645729 /nfs/dbraw/zinc/64/57/29/551645729.db2.gz OVFXJMIBTMYGRZ-SJLPKXTDSA-N 1 2 358.442 2.282 20 30 FEEDLO N#Cc1ccc(OC2CC[NH+](CC(=O)NCC(F)(F)F)CC2)c(F)c1 ZINC000285486513 551764247 /nfs/dbraw/zinc/76/42/47/551764247.db2.gz LYVWTGBFYAJPPL-UHFFFAOYSA-N 1 2 359.323 2.219 20 30 FEEDLO N#Cc1ccc(OC2CC[NH+](CC(=O)NCc3cccnc3)CC2)c(F)c1 ZINC000285613780 551783138 /nfs/dbraw/zinc/78/31/38/551783138.db2.gz XOJQIDCOAIQTBX-UHFFFAOYSA-N 1 2 368.412 2.252 20 30 FEEDLO CC(C)(CNc1nc2cc(Cl)ccn2c1C#N)[NH+]1CCS(=O)CC1 ZINC000286032067 551840766 /nfs/dbraw/zinc/84/07/66/551840766.db2.gz BCBANHWJQGWONH-UHFFFAOYSA-N 1 2 365.890 2.114 20 30 FEEDLO COc1ccccc1O[C@@H]1CCC[N@H+](CC(=O)N[C@@](C)(C#N)C2CC2)C1 ZINC000286331183 551875250 /nfs/dbraw/zinc/87/52/50/551875250.db2.gz FYCBNLWBEKZLCO-UZLBHIALSA-N 1 2 357.454 2.347 20 30 FEEDLO COc1ccccc1O[C@@H]1CCC[N@@H+](CC(=O)N[C@@](C)(C#N)C2CC2)C1 ZINC000286331183 551875252 /nfs/dbraw/zinc/87/52/52/551875252.db2.gz FYCBNLWBEKZLCO-UZLBHIALSA-N 1 2 357.454 2.347 20 30 FEEDLO COC(=O)[C@]1(C(F)(F)F)CC[N@@H+]([C@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000286350914 551877288 /nfs/dbraw/zinc/87/72/88/551877288.db2.gz FNMJUCBCQTVIQZ-BZNIZROVSA-N 1 2 369.343 2.313 20 30 FEEDLO COC(=O)[C@]1(C(F)(F)F)CC[N@H+]([C@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000286350914 551877290 /nfs/dbraw/zinc/87/72/90/551877290.db2.gz FNMJUCBCQTVIQZ-BZNIZROVSA-N 1 2 369.343 2.313 20 30 FEEDLO C=CCN1CC[C@H]([N@H+](CCO)Cc2cc(Br)cs2)C1=O ZINC000499730738 561557148 /nfs/dbraw/zinc/55/71/48/561557148.db2.gz CVGRMXBNOGQYMO-ZDUSSCGKSA-N 1 2 359.289 2.092 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+](CCO)Cc2cc(Br)cs2)C1=O ZINC000499730738 561557149 /nfs/dbraw/zinc/55/71/49/561557149.db2.gz CVGRMXBNOGQYMO-ZDUSSCGKSA-N 1 2 359.289 2.092 20 30 FEEDLO C=CCn1c(=O)c2ccc(C(=O)N3CC[N@@H+](CC)C[C@@H]3C)cc2[nH]c1=S ZINC000288401724 552147322 /nfs/dbraw/zinc/14/73/22/552147322.db2.gz LFWGYBLGFLYCTI-ZDUSSCGKSA-N 1 2 372.494 2.037 20 30 FEEDLO C=CCn1c(=O)c2ccc(C(=O)N3CC[N@H+](CC)C[C@@H]3C)cc2[nH]c1=S ZINC000288401724 552147324 /nfs/dbraw/zinc/14/73/24/552147324.db2.gz LFWGYBLGFLYCTI-ZDUSSCGKSA-N 1 2 372.494 2.037 20 30 FEEDLO C=C(C)CN(CC)C(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000289051343 552258460 /nfs/dbraw/zinc/25/84/60/552258460.db2.gz BZYVBDKCLNYJGW-IAGOWNOFSA-N 1 2 365.424 2.251 20 30 FEEDLO C=C(C)CN(CC)C(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000289051343 552258463 /nfs/dbraw/zinc/25/84/63/552258463.db2.gz BZYVBDKCLNYJGW-IAGOWNOFSA-N 1 2 365.424 2.251 20 30 FEEDLO N#Cc1ccc(N2CC[C@H]([N@@H+]3CC[C@@H](n4cc(Cl)cn4)C3)C2=O)cc1 ZINC000289965872 552406866 /nfs/dbraw/zinc/40/68/66/552406866.db2.gz QVOSOUHDNPHJHH-SJORKVTESA-N 1 2 355.829 2.460 20 30 FEEDLO N#Cc1ccc(N2CC[C@H]([N@H+]3CC[C@@H](n4cc(Cl)cn4)C3)C2=O)cc1 ZINC000289965872 552406868 /nfs/dbraw/zinc/40/68/68/552406868.db2.gz QVOSOUHDNPHJHH-SJORKVTESA-N 1 2 355.829 2.460 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[NH+]2CCC(OC3CCCC3)CC2)nc1 ZINC000290367362 552468142 /nfs/dbraw/zinc/46/81/42/552468142.db2.gz RBXUQTDPKZKXIE-UHFFFAOYSA-N 1 2 363.483 2.151 20 30 FEEDLO C=CCS(=O)(=O)CC[NH2+]Cc1c(F)ccc(C2OCCO2)c1Cl ZINC000291095283 552586283 /nfs/dbraw/zinc/58/62/83/552586283.db2.gz IJOVZBZOPZPGAJ-UHFFFAOYSA-N 1 2 363.838 2.215 20 30 FEEDLO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000292227226 552706443 /nfs/dbraw/zinc/70/64/43/552706443.db2.gz PHZWPUNCYZOTFP-SFHVURJKSA-N 1 2 366.421 2.444 20 30 FEEDLO CCOc1ccc(NC(=O)C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000292227226 552706444 /nfs/dbraw/zinc/70/64/44/552706444.db2.gz PHZWPUNCYZOTFP-SFHVURJKSA-N 1 2 366.421 2.444 20 30 FEEDLO Cc1ccc(CNC(=O)C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1F ZINC000292366558 552719840 /nfs/dbraw/zinc/71/98/40/552719840.db2.gz YHJJTFISUDGTIZ-QGZVFWFLSA-N 1 2 368.412 2.170 20 30 FEEDLO Cc1ccc(CNC(=O)C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1F ZINC000292366558 552719841 /nfs/dbraw/zinc/71/98/41/552719841.db2.gz YHJJTFISUDGTIZ-QGZVFWFLSA-N 1 2 368.412 2.170 20 30 FEEDLO N#C[C@@H]1CC[C@@H]([NH+]2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)C1 ZINC000292952112 552774176 /nfs/dbraw/zinc/77/41/76/552774176.db2.gz BQMIOIJGKDZKHB-UKRRQHHQSA-N 1 2 353.875 2.339 20 30 FEEDLO COc1cc(Cl)cc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000293431284 552822830 /nfs/dbraw/zinc/82/28/30/552822830.db2.gz NVQCEZMYZKJJMP-UHFFFAOYSA-N 1 2 351.834 2.037 20 30 FEEDLO CN(C)C(=O)O[C@H]1CCC[N@H+](CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000295532341 553021640 /nfs/dbraw/zinc/02/16/40/553021640.db2.gz JBLSEPBYHPFTAO-KRWDZBQOSA-N 1 2 358.442 2.096 20 30 FEEDLO CN(C)C(=O)O[C@H]1CCC[N@@H+](CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000295532341 553021642 /nfs/dbraw/zinc/02/16/42/553021642.db2.gz JBLSEPBYHPFTAO-KRWDZBQOSA-N 1 2 358.442 2.096 20 30 FEEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3CC[C@H](C)O3)n2Cc2cccs2)CC1 ZINC000295884628 553071500 /nfs/dbraw/zinc/07/15/00/553071500.db2.gz FMJWOYGEAICAOS-RDJZCZTQSA-N 1 2 371.510 2.383 20 30 FEEDLO C[C@@H]1CN(c2ccc(CNC(=O)N[C@H]3CC[C@@H](CC#N)C3)c[nH+]2)CCO1 ZINC000296390026 553151987 /nfs/dbraw/zinc/15/19/87/553151987.db2.gz QIXKJPRYBFJTSM-VYDXJSESSA-N 1 2 357.458 2.188 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Nc1ccc2cnccc2c1 ZINC000296779648 553210414 /nfs/dbraw/zinc/21/04/14/553210414.db2.gz DLFYKERXJOKJQP-UHFFFAOYSA-N 1 2 353.426 2.315 20 30 FEEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)CC(=O)N(C)[C@H](C)c1ccccc1 ZINC000503237297 561637634 /nfs/dbraw/zinc/63/76/34/561637634.db2.gz FOTKUGWHEWWXHB-HZPDHXFCSA-N 1 2 356.470 2.089 20 30 FEEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+](C)CC(=O)N(C)[C@H](C)c1ccccc1 ZINC000503237297 561637635 /nfs/dbraw/zinc/63/76/35/561637635.db2.gz FOTKUGWHEWWXHB-HZPDHXFCSA-N 1 2 356.470 2.089 20 30 FEEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)C(=O)Nc1cc(C#N)ccc1Cl)CCC2 ZINC000503108158 561634600 /nfs/dbraw/zinc/63/46/00/561634600.db2.gz ZVOFKKOSNAOYRO-ZDUSSCGKSA-N 1 2 371.828 2.349 20 30 FEEDLO CN(C)c1ccc(CNC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)c[nH+]1 ZINC000298581916 553443974 /nfs/dbraw/zinc/44/39/74/553443974.db2.gz MZROFRINYWCUBF-UHFFFAOYSA-N 1 2 365.437 2.204 20 30 FEEDLO Cn1ncc2c1nc[nH+]c2N1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000299628176 553591023 /nfs/dbraw/zinc/59/10/23/553591023.db2.gz BXONMUDSVNPLAR-UHFFFAOYSA-N 1 2 370.420 2.110 20 30 FEEDLO C=CCCc1ccccc1NC(=O)C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000504359789 561657025 /nfs/dbraw/zinc/65/70/25/561657025.db2.gz WUONFSFMDJIOTO-UHFFFAOYSA-N 1 2 373.497 2.313 20 30 FEEDLO C=CCCc1ccccc1NC(=O)C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000504359789 561657026 /nfs/dbraw/zinc/65/70/26/561657026.db2.gz WUONFSFMDJIOTO-UHFFFAOYSA-N 1 2 373.497 2.313 20 30 FEEDLO CCOC(=O)C[N@@H+]1CCCN(c2nc(C(F)(F)F)ccc2C#N)CC1 ZINC000301264985 553637260 /nfs/dbraw/zinc/63/72/60/553637260.db2.gz GKPRMZWDLYJHDI-UHFFFAOYSA-N 1 2 356.348 2.047 20 30 FEEDLO CCOC(=O)C[N@H+]1CCCN(c2nc(C(F)(F)F)ccc2C#N)CC1 ZINC000301264985 553637263 /nfs/dbraw/zinc/63/72/63/553637263.db2.gz GKPRMZWDLYJHDI-UHFFFAOYSA-N 1 2 356.348 2.047 20 30 FEEDLO CC[C@H](C)NC(=O)C[NH+]1CCN(c2ccc3cc(C#N)ccc3n2)CC1 ZINC000301832224 553683561 /nfs/dbraw/zinc/68/35/61/553683561.db2.gz UAEXEDYDVGBKIR-HNNXBMFYSA-N 1 2 351.454 2.143 20 30 FEEDLO CC(C)c1nc(N2CCN(c3ccccc3C#N)CC2)nc(N(C)C)[nH+]1 ZINC000301952444 553694216 /nfs/dbraw/zinc/69/42/16/553694216.db2.gz CCJLZBMDRHQADL-UHFFFAOYSA-N 1 2 351.458 2.259 20 30 FEEDLO CC(C)c1nc(N(C)C)nc(N2CCN(c3ccccc3C#N)CC2)[nH+]1 ZINC000301952444 553694217 /nfs/dbraw/zinc/69/42/17/553694217.db2.gz CCJLZBMDRHQADL-UHFFFAOYSA-N 1 2 351.458 2.259 20 30 FEEDLO CC(=O)c1ccc(C#N)cc1N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC000302085067 553703135 /nfs/dbraw/zinc/70/31/35/553703135.db2.gz DOYVHEKNKMINDS-UHFFFAOYSA-N 1 2 351.454 2.433 20 30 FEEDLO N#Cc1ccc(N2CCN(c3cc(N4CCCC4)[nH+]cn3)CC2)c(F)c1 ZINC000302917846 553742224 /nfs/dbraw/zinc/74/22/24/553742224.db2.gz XIPDJOYEGJCGMQ-UHFFFAOYSA-N 1 2 352.417 2.414 20 30 FEEDLO N#Cc1ccc(N2CCN(c3cc(N4CCCC4)nc[nH+]3)CC2)c(F)c1 ZINC000302917846 553742226 /nfs/dbraw/zinc/74/22/26/553742226.db2.gz XIPDJOYEGJCGMQ-UHFFFAOYSA-N 1 2 352.417 2.414 20 30 FEEDLO CC[N@H+](Cc1noc(C)n1)[C@@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC000328624539 553797794 /nfs/dbraw/zinc/79/77/94/553797794.db2.gz CMFNBZVRAMHGPA-OAHLLOKOSA-N 1 2 356.430 2.095 20 30 FEEDLO CC[N@@H+](Cc1noc(C)n1)[C@@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC000328624539 553797795 /nfs/dbraw/zinc/79/77/95/553797795.db2.gz CMFNBZVRAMHGPA-OAHLLOKOSA-N 1 2 356.430 2.095 20 30 FEEDLO Nc1nccc([C@H]2CCC[N@H+](CC(=O)Nc3nc4c(s3)CCC4)C2)n1 ZINC000328680724 553806377 /nfs/dbraw/zinc/80/63/77/553806377.db2.gz NVHBTURJGACLKO-NSHDSACASA-N 1 2 358.471 2.472 20 30 FEEDLO Nc1nccc([C@H]2CCC[N@@H+](CC(=O)Nc3nc4c(s3)CCC4)C2)n1 ZINC000328680724 553806378 /nfs/dbraw/zinc/80/63/78/553806378.db2.gz NVHBTURJGACLKO-NSHDSACASA-N 1 2 358.471 2.472 20 30 FEEDLO C[C@@H]1C[C@H](C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCC1=O ZINC000328959984 553853680 /nfs/dbraw/zinc/85/36/80/553853680.db2.gz PFTXDVSQVCPFKT-HZPDHXFCSA-N 1 2 372.469 2.082 20 30 FEEDLO CCO[C@@H]1C[C@H](NC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)C12CCCCC2 ZINC000328969597 553855604 /nfs/dbraw/zinc/85/56/04/553855604.db2.gz AUPOQHOLZLWTIZ-VSZNYVQBSA-N 1 2 365.518 2.433 20 30 FEEDLO CCO[C@@H]1C[C@H](NC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)C12CCCCC2 ZINC000328969597 553855611 /nfs/dbraw/zinc/85/56/11/553855611.db2.gz AUPOQHOLZLWTIZ-VSZNYVQBSA-N 1 2 365.518 2.433 20 30 FEEDLO C[C@@H](C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)N1CCn2cc[nH+]c2C1 ZINC000329036828 553869117 /nfs/dbraw/zinc/86/91/17/553869117.db2.gz YZCJBONVVPWJRA-LBPRGKRZSA-N 1 2 371.397 2.061 20 30 FEEDLO CC1(CNC(=O)N2CCC[N@H+](Cc3cscn3)CC2)CCOCC1 ZINC000329048755 553871345 /nfs/dbraw/zinc/87/13/45/553871345.db2.gz QQFFXPJHUDVODV-UHFFFAOYSA-N 1 2 352.504 2.382 20 30 FEEDLO CC1(CNC(=O)N2CCC[N@@H+](Cc3cscn3)CC2)CCOCC1 ZINC000329048755 553871350 /nfs/dbraw/zinc/87/13/50/553871350.db2.gz QQFFXPJHUDVODV-UHFFFAOYSA-N 1 2 352.504 2.382 20 30 FEEDLO C[C@@H]1CCC[C@@H](NC(=O)CN2CC[NH+](CC(=O)N3CCCCC3)CC2)C1 ZINC000329215791 553904237 /nfs/dbraw/zinc/90/42/37/553904237.db2.gz NIFIIMJMUNSCAB-QZTJIDSGSA-N 1 2 364.534 2.152 20 30 FEEDLO Cn1c[nH+]cc1[C@H]1[C@H](NC(=O)N2C[C@@H]3CCC[C@@H]3C2)CCC(=O)N1C1CC1 ZINC000329228919 553907018 /nfs/dbraw/zinc/90/70/18/553907018.db2.gz IYTGMJZCNBMLCX-QHHYFVSCSA-N 1 2 371.485 2.261 20 30 FEEDLO Cn1c[nH+]cc1[C@H]1[C@H](NC(=O)N2CC[C@H](C3CC3)C2)CCC(=O)N1C1CC1 ZINC000329235479 553908143 /nfs/dbraw/zinc/90/81/43/553908143.db2.gz NOSCNOFEYFAFLR-ZSZQSSIHSA-N 1 2 371.485 2.261 20 30 FEEDLO Cc1ccc(N2CCC[C@H](NC(=O)[C@H]3COCC[N@@H+]3C3CCCC3)C2)nn1 ZINC000329308546 553922415 /nfs/dbraw/zinc/92/24/15/553922415.db2.gz ZWBNNDSOBDWXNT-FUHWJXTLSA-N 1 2 373.501 2.354 20 30 FEEDLO Cc1ccc(N2CCC[C@H](NC(=O)[C@H]3COCC[N@H+]3C3CCCC3)C2)nn1 ZINC000329308546 553922417 /nfs/dbraw/zinc/92/24/17/553922417.db2.gz ZWBNNDSOBDWXNT-FUHWJXTLSA-N 1 2 373.501 2.354 20 30 FEEDLO N#Cc1cccc(OC2CCN(C(=O)C3([NH+]4CCOCC4)CCC3)CC2)c1 ZINC000329326972 553925943 /nfs/dbraw/zinc/92/59/43/553925943.db2.gz JSUDGLXZGLTRKG-UHFFFAOYSA-N 1 2 369.465 2.183 20 30 FEEDLO Cc1nc(C[N@@H+]2CCCN(C(=O)NC[C@@]3(C)CCOC3)CC2)cs1 ZINC000329331365 553926571 /nfs/dbraw/zinc/92/65/71/553926571.db2.gz MITXJILCYQVVTQ-QGZVFWFLSA-N 1 2 352.504 2.300 20 30 FEEDLO Cc1nc(C[N@H+]2CCCN(C(=O)NC[C@@]3(C)CCOC3)CC2)cs1 ZINC000329331365 553926573 /nfs/dbraw/zinc/92/65/73/553926573.db2.gz MITXJILCYQVVTQ-QGZVFWFLSA-N 1 2 352.504 2.300 20 30 FEEDLO O=C(CCNC(=O)[C@H]1CCCCS1)N1CCN(c2cccc[nH+]2)CC1 ZINC000329332432 553927092 /nfs/dbraw/zinc/92/70/92/553927092.db2.gz MTURSXRNBPRHPC-OAHLLOKOSA-N 1 2 362.499 2.363 20 30 FEEDLO N#Cc1ccnc(N2CC[NH+]([C@@H]3CCCN(c4ccccc4)C3=O)CC2)c1 ZINC000329336662 553927613 /nfs/dbraw/zinc/92/76/13/553927613.db2.gz PJUKUWIQXLTLGS-LJQANCHMSA-N 1 2 361.449 2.271 20 30 FEEDLO CC(C)c1noc(-c2ccccc2C(=O)NC[C@H]2CN(C)CC[N@@H+]2C)n1 ZINC000329364327 553932961 /nfs/dbraw/zinc/93/29/61/553932961.db2.gz JNHHRAMZHDQTGR-AWEZNQCLSA-N 1 2 357.458 2.410 20 30 FEEDLO CC(C)c1noc(-c2ccccc2C(=O)NC[C@H]2CN(C)CC[N@H+]2C)n1 ZINC000329364327 553932964 /nfs/dbraw/zinc/93/29/64/553932964.db2.gz JNHHRAMZHDQTGR-AWEZNQCLSA-N 1 2 357.458 2.410 20 30 FEEDLO Cn1cc[nH+]c1[C@H](NC(=O)N1CCC[C@@H]1[C@@H]1CCCO1)C1CCOCC1 ZINC000329428205 553944981 /nfs/dbraw/zinc/94/49/81/553944981.db2.gz GZQZLXLXNCCHBZ-IXDOHACOSA-N 1 2 362.474 2.445 20 30 FEEDLO C[NH+]1CCN(C(=O)c2cc(NC(=O)N3CCC[C@@H]4CCC[C@@H]43)ccn2)CC1 ZINC000329436652 553946646 /nfs/dbraw/zinc/94/66/46/553946646.db2.gz LZORGYRBMZYJPO-YJBOKZPZSA-N 1 2 371.485 2.279 20 30 FEEDLO Cc1ncc(C[NH+]2CCN(C(=O)N[C@H](C)[C@H]3CCCOC3)CC2)s1 ZINC000329510244 553959710 /nfs/dbraw/zinc/95/97/10/553959710.db2.gz MPAPQONJKNDNLK-HIFRSBDPSA-N 1 2 352.504 2.298 20 30 FEEDLO O=C(NC1CC1)[C@@H](O)C1CCN(c2cc(N3CCCCC3)[nH+]cn2)CC1 ZINC000329647298 553982071 /nfs/dbraw/zinc/98/20/71/553982071.db2.gz DVVQFKPZJXEYQT-SFHVURJKSA-N 1 2 359.474 2.163 20 30 FEEDLO O=C(NC1CC1)[C@@H](O)C1CCN(c2cc(N3CCCCC3)nc[nH+]2)CC1 ZINC000329647298 553982075 /nfs/dbraw/zinc/98/20/75/553982075.db2.gz DVVQFKPZJXEYQT-SFHVURJKSA-N 1 2 359.474 2.163 20 30 FEEDLO C[C@H](NC(=O)N(C)Cc1nc(=O)c2sccc2[nH]1)C1=CC[N@H+](C)CC1 ZINC000329707554 553992777 /nfs/dbraw/zinc/99/27/77/553992777.db2.gz LRPHRGYBHPGCJD-NSHDSACASA-N 1 2 361.471 2.393 20 30 FEEDLO C[C@H](NC(=O)N(C)Cc1nc(=O)c2sccc2[nH]1)C1=CC[N@@H+](C)CC1 ZINC000329707554 553992779 /nfs/dbraw/zinc/99/27/79/553992779.db2.gz LRPHRGYBHPGCJD-NSHDSACASA-N 1 2 361.471 2.393 20 30 FEEDLO C[C@H](C(=O)NC1CC1)N1CC[NH+]([C@@H]2CCCN(CC(C)(C)C)C2=O)CC1 ZINC000329741274 553997891 /nfs/dbraw/zinc/99/78/91/553997891.db2.gz OMGIFVVAGFPBLC-NVXWUHKLSA-N 1 2 364.534 2.149 20 30 FEEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000329834541 554014783 /nfs/dbraw/zinc/01/47/83/554014783.db2.gz LTCQACMXFJWXOU-IBGZPJMESA-N 1 2 373.457 2.215 20 30 FEEDLO C[C@H](NC(=O)C[N@@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1)C(=O)N1CCCCC1 ZINC000329848727 554018223 /nfs/dbraw/zinc/01/82/23/554018223.db2.gz PTBRTCKIQGAKGQ-JZXOWHBKSA-N 1 2 363.502 2.377 20 30 FEEDLO C[C@H](NC(=O)C[N@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1)C(=O)N1CCCCC1 ZINC000329848727 554018225 /nfs/dbraw/zinc/01/82/25/554018225.db2.gz PTBRTCKIQGAKGQ-JZXOWHBKSA-N 1 2 363.502 2.377 20 30 FEEDLO CO[C@H]1C[C@H](C(=O)N[C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)N(C(C)=O)C1 ZINC000329899726 554027711 /nfs/dbraw/zinc/02/77/11/554027711.db2.gz NFMSQNLUDRSJLW-SOUVJXGZSA-N 1 2 362.474 2.088 20 30 FEEDLO COc1cc(NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)ccc1Br ZINC000329914835 554029984 /nfs/dbraw/zinc/02/99/84/554029984.db2.gz CSEVXSADDGHAGF-OCCSQVGLSA-N 1 2 370.247 2.018 20 30 FEEDLO COc1cc(NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)ccc1Br ZINC000329914835 554029987 /nfs/dbraw/zinc/02/99/87/554029987.db2.gz CSEVXSADDGHAGF-OCCSQVGLSA-N 1 2 370.247 2.018 20 30 FEEDLO O=C(NC1CC1)c1cccc(C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)c1 ZINC000329926002 554033115 /nfs/dbraw/zinc/03/31/15/554033115.db2.gz KGJZDTMQBAEMES-LJQANCHMSA-N 1 2 371.481 2.481 20 30 FEEDLO Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNC(=O)NC[C@@H]1CCCCO1 ZINC000329929617 554033594 /nfs/dbraw/zinc/03/35/94/554033594.db2.gz YXMPLVMOMLBYFC-JYJNAYRXSA-N 1 2 368.453 2.277 20 30 FEEDLO Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNC(=O)NC[C@@H]1CCCCO1 ZINC000329929617 554033598 /nfs/dbraw/zinc/03/35/98/554033598.db2.gz YXMPLVMOMLBYFC-JYJNAYRXSA-N 1 2 368.453 2.277 20 30 FEEDLO C[C@H](NC(=O)C[NH+]1CCC(Oc2ccccn2)CC1)C(=O)N1CCCCC1 ZINC000329931070 554034255 /nfs/dbraw/zinc/03/42/55/554034255.db2.gz ICGMQBJTEBPRBH-INIZCTEOSA-N 1 2 374.485 2.282 20 30 FEEDLO Cc1ccc(NC(=O)[C@H]2CCn3c[nH+]cc3C2)cc1N1C(=O)CNC1=O ZINC000330067542 554058418 /nfs/dbraw/zinc/05/84/18/554058418.db2.gz UOEYYTAEQAVFMN-LBPRGKRZSA-N 1 2 353.382 2.303 20 30 FEEDLO Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000330098088 554064049 /nfs/dbraw/zinc/06/40/49/554064049.db2.gz BLLNYJNBRFJWNG-HNJNHCNJSA-N 1 2 350.463 2.283 20 30 FEEDLO Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000330098088 554064050 /nfs/dbraw/zinc/06/40/50/554064050.db2.gz BLLNYJNBRFJWNG-HNJNHCNJSA-N 1 2 350.463 2.283 20 30 FEEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)[C@H]2CCCN2c2ccccc2)CC1 ZINC000330210182 554085621 /nfs/dbraw/zinc/08/56/21/554085621.db2.gz IDWPKJYOEXQZOR-VQIMIIECSA-N 1 2 370.497 2.307 20 30 FEEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])N1CC(NC(=O)C3CC3)C1)C2 ZINC000330274579 554097861 /nfs/dbraw/zinc/09/78/61/554097861.db2.gz KJLNAIGWTMFUAO-ZDUSSCGKSA-N 1 2 359.474 2.460 20 30 FEEDLO Cc1noc(C)c1C[C@H](C)NC(=O)N[C@@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000330338674 554107674 /nfs/dbraw/zinc/10/76/74/554107674.db2.gz VRZYXNFBAKSEFF-KHIZAZIESA-N 1 2 361.446 2.380 20 30 FEEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)Nc2cccc([S@@](C)=O)c2)CCO1 ZINC000330358221 554110993 /nfs/dbraw/zinc/11/09/93/554110993.db2.gz UNPYYOCISKBKOG-BSEWSNTLSA-N 1 2 362.455 2.213 20 30 FEEDLO C=CCn1c(-c2cc(C)oc2C)nnc1N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000508470290 561762842 /nfs/dbraw/zinc/76/28/42/561762842.db2.gz CBQHONWAFQBPFF-INIZCTEOSA-N 1 2 357.458 2.252 20 30 FEEDLO CC[N@@H+]1CC[C@@H](NS(=O)(=O)CCC#N)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000331305771 554244660 /nfs/dbraw/zinc/24/46/60/554244660.db2.gz GBAUVPBUZOWOKW-UKRRQHHQSA-N 1 2 361.389 2.072 20 30 FEEDLO CC[N@H+]1CC[C@@H](NS(=O)(=O)CCC#N)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000331305771 554244661 /nfs/dbraw/zinc/24/46/61/554244661.db2.gz GBAUVPBUZOWOKW-UKRRQHHQSA-N 1 2 361.389 2.072 20 30 FEEDLO CC(=O)[C@](C)(O)C[NH+]1CCN(C(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000331341018 554249064 /nfs/dbraw/zinc/24/90/64/554249064.db2.gz SLACHJRIYFYBPV-MRXNPFEDSA-N 1 2 373.375 2.209 20 30 FEEDLO C=CCn1c(COc2cccc(C)c2)nnc1N(C)CC[NH+]1CCOCC1 ZINC000508944414 561778891 /nfs/dbraw/zinc/77/88/91/561778891.db2.gz DPHFAGQYQVJPIC-UHFFFAOYSA-N 1 2 371.485 2.120 20 30 FEEDLO COC(=O)[C@H]1CSCC[N@H+](CC(=O)Nc2sc(C)c(C)c2C#N)C1 ZINC000331481597 554272223 /nfs/dbraw/zinc/27/22/23/554272223.db2.gz DXVZTFOWZGIYER-GFCCVEGCSA-N 1 2 367.496 2.013 20 30 FEEDLO COC(=O)[C@H]1CSCC[N@@H+](CC(=O)Nc2sc(C)c(C)c2C#N)C1 ZINC000331481597 554272225 /nfs/dbraw/zinc/27/22/25/554272225.db2.gz DXVZTFOWZGIYER-GFCCVEGCSA-N 1 2 367.496 2.013 20 30 FEEDLO COc1cc(CN2CC[NH+]([C@@H](C)C(=O)NC3CCCC3)CC2)ccc1C#N ZINC000331913383 554345052 /nfs/dbraw/zinc/34/50/52/554345052.db2.gz MBHMCQMUENZILX-INIZCTEOSA-N 1 2 370.497 2.132 20 30 FEEDLO COc1cc(C[NH+]2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)ccc1C#N ZINC000331913383 554345054 /nfs/dbraw/zinc/34/50/54/554345054.db2.gz MBHMCQMUENZILX-INIZCTEOSA-N 1 2 370.497 2.132 20 30 FEEDLO CNc1cc2c(nn1)CC[N@@H+]([C@H](C)C(=O)N(CCC#N)c1ccccc1)C2 ZINC000609270064 554354749 /nfs/dbraw/zinc/35/47/49/554354749.db2.gz AVNPTTSNBPGYQP-OAHLLOKOSA-N 1 2 364.453 2.212 20 30 FEEDLO CNc1cc2c(nn1)CC[N@H+]([C@H](C)C(=O)N(CCC#N)c1ccccc1)C2 ZINC000609270064 554354751 /nfs/dbraw/zinc/35/47/51/554354751.db2.gz AVNPTTSNBPGYQP-OAHLLOKOSA-N 1 2 364.453 2.212 20 30 FEEDLO Cc1cc[nH+]cc1N1CCN([C@@H](C)C(=O)NC2(C#N)CCCCC2)CC1 ZINC000332070992 554374011 /nfs/dbraw/zinc/37/40/11/554374011.db2.gz VLSDOKLUOCEBPV-KRWDZBQOSA-N 1 2 355.486 2.243 20 30 FEEDLO C=CCN1CC[C@@H](N(C)C(=O)C[N@@H+](CC)Cc2ccccc2Cl)C1=O ZINC000509954376 561819710 /nfs/dbraw/zinc/81/97/10/561819710.db2.gz UVSWXVYJDJFMGQ-QGZVFWFLSA-N 1 2 363.889 2.407 20 30 FEEDLO C=CCN1CC[C@@H](N(C)C(=O)C[N@H+](CC)Cc2ccccc2Cl)C1=O ZINC000509954376 561819712 /nfs/dbraw/zinc/81/97/12/561819712.db2.gz UVSWXVYJDJFMGQ-QGZVFWFLSA-N 1 2 363.889 2.407 20 30 FEEDLO N#CC1(F)CC[NH+](CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)CC1 ZINC000510872437 561849141 /nfs/dbraw/zinc/84/91/41/561849141.db2.gz NKYJOJFAAUOGLY-INIZCTEOSA-N 1 2 373.428 2.449 20 30 FEEDLO N#CC1(F)CC[NH+](CC(=O)NCCc2ccc(OC(F)F)cc2)CC1 ZINC000510905718 561850325 /nfs/dbraw/zinc/85/03/25/561850325.db2.gz SKRNJNAGKDPWCO-UHFFFAOYSA-N 1 2 355.360 2.274 20 30 FEEDLO C[C@@H](C(=O)Nc1cccc(N2CCCC2=O)c1)[NH+]1CCC(F)(C#N)CC1 ZINC000510922393 561850934 /nfs/dbraw/zinc/85/09/34/561850934.db2.gz UMEXWVPPPLSBNM-AWEZNQCLSA-N 1 2 358.417 2.468 20 30 FEEDLO CC[NH+]1CCN(C(=O)C(=O)Nc2cccc(C#Cc3ccccc3)c2)CC1 ZINC000511334789 561865710 /nfs/dbraw/zinc/86/57/10/561865710.db2.gz RTNPJUJJCPNSPW-UHFFFAOYSA-N 1 2 361.445 2.189 20 30 FEEDLO CC(C)(C)OC(=O)CCC[N@@H+]1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000363653619 555155815 /nfs/dbraw/zinc/15/58/15/555155815.db2.gz WGLPCRJRXRTVIE-XOBRGWDASA-N 1 2 355.438 2.454 20 30 FEEDLO CC(C)(C)OC(=O)CCC[N@H+]1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000363653619 555155818 /nfs/dbraw/zinc/15/58/18/555155818.db2.gz WGLPCRJRXRTVIE-XOBRGWDASA-N 1 2 355.438 2.454 20 30 FEEDLO N#Cc1c(F)cccc1-n1ccc(NC(=O)[C@H]2CCc3[nH+]ccn3C2)n1 ZINC000615787632 555240656 /nfs/dbraw/zinc/24/06/56/555240656.db2.gz MPKMPMDWUIKBCL-LBPRGKRZSA-N 1 2 350.357 2.281 20 30 FEEDLO C[N@@H+]1CCN(C2CCN(c3ccc(C(F)(F)F)c(C#N)c3)CC2)C(=O)C1 ZINC000364060546 555242550 /nfs/dbraw/zinc/24/25/50/555242550.db2.gz AWZDZNONFLOSRL-UHFFFAOYSA-N 1 2 366.387 2.320 20 30 FEEDLO C[N@H+]1CCN(C2CCN(c3ccc(C(F)(F)F)c(C#N)c3)CC2)C(=O)C1 ZINC000364060546 555242552 /nfs/dbraw/zinc/24/25/52/555242552.db2.gz AWZDZNONFLOSRL-UHFFFAOYSA-N 1 2 366.387 2.320 20 30 FEEDLO Cc1sc(NC(=O)C[N@@H+]2[C@H](C(N)=O)C[C@H]3CCCC[C@@H]32)c(C#N)c1C ZINC000365885791 555692519 /nfs/dbraw/zinc/69/25/19/555692519.db2.gz PAXNBRMTQPGYDP-SNPRPXQTSA-N 1 2 360.483 2.294 20 30 FEEDLO Cc1sc(NC(=O)C[N@H+]2[C@H](C(N)=O)C[C@H]3CCCC[C@@H]32)c(C#N)c1C ZINC000365885791 555692521 /nfs/dbraw/zinc/69/25/21/555692521.db2.gz PAXNBRMTQPGYDP-SNPRPXQTSA-N 1 2 360.483 2.294 20 30 FEEDLO O=S1(=O)CCCN1[C@H]1CCC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000366127053 555759630 /nfs/dbraw/zinc/75/96/30/555759630.db2.gz VKUWGOZUYHHKQN-KRWDZBQOSA-N 1 2 352.887 2.191 20 30 FEEDLO O=S1(=O)CCCN1[C@H]1CCC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000366127053 555759635 /nfs/dbraw/zinc/75/96/35/555759635.db2.gz VKUWGOZUYHHKQN-KRWDZBQOSA-N 1 2 352.887 2.191 20 30 FEEDLO N#Cc1ccc(S(N)(=O)=O)cc1NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000366196179 555777880 /nfs/dbraw/zinc/77/78/80/555777880.db2.gz BMDHGHBMXDHAMQ-UHFFFAOYSA-N 1 2 371.397 2.143 20 30 FEEDLO C[C@@H](C(=O)Nc1ccccc1Cl)[NH+]1CCC(n2cnc(C#N)n2)CC1 ZINC000366343054 555816528 /nfs/dbraw/zinc/81/65/28/555816528.db2.gz YTPNJPUAZZNRLG-LBPRGKRZSA-N 1 2 358.833 2.467 20 30 FEEDLO N#CCCn1cc(C[N@@H+]2CCO[C@@H]3CCOC[C@@H]32)c(-c2ccccc2)n1 ZINC000366487262 555858085 /nfs/dbraw/zinc/85/80/85/555858085.db2.gz FWNDDIMXYRKCLW-RBUKOAKNSA-N 1 2 352.438 2.453 20 30 FEEDLO N#CCCn1cc(C[N@H+]2CCO[C@@H]3CCOC[C@@H]32)c(-c2ccccc2)n1 ZINC000366487262 555858090 /nfs/dbraw/zinc/85/80/90/555858090.db2.gz FWNDDIMXYRKCLW-RBUKOAKNSA-N 1 2 352.438 2.453 20 30 FEEDLO Cc1c(C#N)cccc1C(=O)N1CC[C@](C)([NH2+]CC(=O)OC(C)(C)C)C1 ZINC000514063638 561959158 /nfs/dbraw/zinc/95/91/58/561959158.db2.gz FAUFHDKHPAKSGO-FQEVSTJZSA-N 1 2 357.454 2.403 20 30 FEEDLO N#CC[C@H](CC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1)c1ccccc1 ZINC000366830320 555945646 /nfs/dbraw/zinc/94/56/46/555945646.db2.gz RYTJOMCHPMCMQO-UYAOXDASSA-N 1 2 373.522 2.398 20 30 FEEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CC[C@H](O)c3ccccc3C2)c1 ZINC000368325196 556278627 /nfs/dbraw/zinc/27/86/27/556278627.db2.gz YHZPQYPLIHVMCQ-IBGZPJMESA-N 1 2 356.447 2.271 20 30 FEEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CC[C@H](O)c3ccccc3C2)c1 ZINC000368325196 556278632 /nfs/dbraw/zinc/27/86/32/556278632.db2.gz YHZPQYPLIHVMCQ-IBGZPJMESA-N 1 2 356.447 2.271 20 30 FEEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](CC(=O)NCc3cc(F)cc(F)c3)C2)nc1 ZINC000368639060 556370693 /nfs/dbraw/zinc/37/06/93/556370693.db2.gz RTDBEJIEIJJNRV-KRWDZBQOSA-N 1 2 372.375 2.001 20 30 FEEDLO N#Cc1ccc(O[C@H]2CC[N@H+](CC(=O)NCc3cc(F)cc(F)c3)C2)nc1 ZINC000368639060 556370695 /nfs/dbraw/zinc/37/06/95/556370695.db2.gz RTDBEJIEIJJNRV-KRWDZBQOSA-N 1 2 372.375 2.001 20 30 FEEDLO COc1ccc(CNC(=O)C[NH+]2CCC(C#N)(c3ccccn3)CC2)cc1 ZINC000369208070 556536055 /nfs/dbraw/zinc/53/60/55/556536055.db2.gz UMCJYLSWRCDSCT-UHFFFAOYSA-N 1 2 364.449 2.264 20 30 FEEDLO CC(=O)c1cccc(NC(=O)[C@@H](C)[NH+]2CCC(n3cnc(C#N)n3)CC2)c1 ZINC000369312148 556572006 /nfs/dbraw/zinc/57/20/06/556572006.db2.gz LFAXCNWVGYFPCF-CYBMUJFWSA-N 1 2 366.425 2.016 20 30 FEEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCCN(C(=O)c2ccoc2)CC1 ZINC000369386094 556586724 /nfs/dbraw/zinc/58/67/24/556586724.db2.gz OSIDPXAFANGSNM-MRXNPFEDSA-N 1 2 372.469 2.159 20 30 FEEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCCN(C(=O)c2ccoc2)CC1 ZINC000369386094 556586726 /nfs/dbraw/zinc/58/67/26/556586726.db2.gz OSIDPXAFANGSNM-MRXNPFEDSA-N 1 2 372.469 2.159 20 30 FEEDLO COc1ccc(C#N)cc1C[N@@H+]1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000369514952 556616543 /nfs/dbraw/zinc/61/65/43/556616543.db2.gz FULPJLOYFMSDRG-IIBYNOLFSA-N 1 2 358.401 2.412 20 30 FEEDLO COc1ccc(C#N)cc1C[N@H+]1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000369514952 556616545 /nfs/dbraw/zinc/61/65/45/556616545.db2.gz FULPJLOYFMSDRG-IIBYNOLFSA-N 1 2 358.401 2.412 20 30 FEEDLO CC(C)Cn1cnnc1[C@@H]1CCC[N@@H+]1C[C@@H](O)COc1ccc(C#N)cc1 ZINC000369543388 556626577 /nfs/dbraw/zinc/62/65/77/556626577.db2.gz GEBYAEIVQSYXIZ-MJGOQNOKSA-N 1 2 369.469 2.383 20 30 FEEDLO CC(C)Cn1cnnc1[C@@H]1CCC[N@H+]1C[C@@H](O)COc1ccc(C#N)cc1 ZINC000369543388 556626580 /nfs/dbraw/zinc/62/65/80/556626580.db2.gz GEBYAEIVQSYXIZ-MJGOQNOKSA-N 1 2 369.469 2.383 20 30 FEEDLO N#Cc1ccc(Cl)cc1NC(=O)C[NH+]1CCC(CN2CCCC2=O)CC1 ZINC000369809784 556701202 /nfs/dbraw/zinc/70/12/02/556701202.db2.gz FZLVSBGWAKIUCI-UHFFFAOYSA-N 1 2 374.872 2.485 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCCC[C@@H]2Cn2cccn2)cc1 ZINC000370026319 556761203 /nfs/dbraw/zinc/76/12/03/556761203.db2.gz IZGQEMVEOOHFED-QGZVFWFLSA-N 1 2 358.467 2.083 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCCC[C@@H]2Cn2cccn2)cc1 ZINC000370026319 556761205 /nfs/dbraw/zinc/76/12/05/556761205.db2.gz IZGQEMVEOOHFED-QGZVFWFLSA-N 1 2 358.467 2.083 20 30 FEEDLO N#Cc1cc(C[NH+]2CCOCC2)cn(CCCOc2ccccc2)c1=O ZINC000516610120 562050394 /nfs/dbraw/zinc/05/03/94/562050394.db2.gz OBLMEVBDLPDVIU-UHFFFAOYSA-N 1 2 353.422 2.021 20 30 FEEDLO N#Cc1ccsc1N1CC[C@@H]([NH+]2CCC(CN3CCCC3=O)CC2)C1=O ZINC000370227956 556816819 /nfs/dbraw/zinc/81/68/19/556816819.db2.gz PUHCWXYEUWAPBV-MRXNPFEDSA-N 1 2 372.494 2.059 20 30 FEEDLO COc1cccc(NC(=O)C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000370729555 556951927 /nfs/dbraw/zinc/95/19/27/556951927.db2.gz JGOPAZMOWIOOJU-QGZVFWFLSA-N 1 2 352.394 2.054 20 30 FEEDLO COc1cccc(NC(=O)C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000370729555 556951928 /nfs/dbraw/zinc/95/19/28/556951928.db2.gz JGOPAZMOWIOOJU-QGZVFWFLSA-N 1 2 352.394 2.054 20 30 FEEDLO COc1cc(OC)cc([C@H](NC(=O)NCC2(C#N)CC2)c2[nH+]ccn2C)c1 ZINC000517006896 562070534 /nfs/dbraw/zinc/07/05/34/562070534.db2.gz ZCAMTPXPCVFSFB-INIZCTEOSA-N 1 2 369.425 2.130 20 30 FEEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)Cc1c(F)cccc1C#N ZINC000517765590 562097730 /nfs/dbraw/zinc/09/77/30/562097730.db2.gz AHQPYKAMJIWBMJ-UHFFFAOYSA-N 1 2 354.385 2.419 20 30 FEEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCCN(C(=O)c2ccc(OC)cc2)CC1 ZINC000371782629 557292054 /nfs/dbraw/zinc/29/20/54/557292054.db2.gz ZQWXSUPKVKBPOC-UHFFFAOYSA-N 1 2 373.497 2.268 20 30 FEEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCCN(C(=O)c2ccc(OC)cc2)CC1 ZINC000371782629 557292056 /nfs/dbraw/zinc/29/20/56/557292056.db2.gz ZQWXSUPKVKBPOC-UHFFFAOYSA-N 1 2 373.497 2.268 20 30 FEEDLO Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000372056938 557368910 /nfs/dbraw/zinc/36/89/10/557368910.db2.gz ZTYMPERLXJXDLC-MRXNPFEDSA-N 1 2 365.437 2.020 20 30 FEEDLO C[N@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)c2cccc(SCC#N)c2)C1 ZINC000372512778 557489696 /nfs/dbraw/zinc/48/96/96/557489696.db2.gz ASFKEUMAYRVXMC-MRXNPFEDSA-N 1 2 367.478 2.439 20 30 FEEDLO C[N@@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)c2cccc(SCC#N)c2)C1 ZINC000372512778 557489698 /nfs/dbraw/zinc/48/96/98/557489698.db2.gz ASFKEUMAYRVXMC-MRXNPFEDSA-N 1 2 367.478 2.439 20 30 FEEDLO Cc1oc(NC(=O)[C@H](C)[NH+]2CCC3(CCN(C)C3=O)CC2)c(C#N)c1C ZINC000373182862 557645946 /nfs/dbraw/zinc/64/59/46/557645946.db2.gz MHYMNMQSTLNGCV-ZDUSSCGKSA-N 1 2 358.442 2.039 20 30 FEEDLO C=CC[C@H](CC)NC(=O)N1CCNC(=O)[C@@H]1c1c(C)[nH+]c2ccccn21 ZINC000373963014 557797034 /nfs/dbraw/zinc/79/70/34/557797034.db2.gz RQICAARXLFLMSQ-YOEHRIQHSA-N 1 2 355.442 2.180 20 30 FEEDLO COc1cc(C[N@@H+]2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)ccc1C#N ZINC000374210982 557843984 /nfs/dbraw/zinc/84/39/84/557843984.db2.gz MFFRWPWCODOTBV-KKSFZXQISA-N 1 2 358.401 2.412 20 30 FEEDLO COc1cc(C[N@H+]2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)ccc1C#N ZINC000374210982 557843985 /nfs/dbraw/zinc/84/39/85/557843985.db2.gz MFFRWPWCODOTBV-KKSFZXQISA-N 1 2 358.401 2.412 20 30 FEEDLO CC(=O)N1CC[N@H+](CC(=O)NC2(C#N)CCCCC2)CC12CCCCC2 ZINC000374288652 557858825 /nfs/dbraw/zinc/85/88/25/557858825.db2.gz QPWLOJNPWDFLKQ-UHFFFAOYSA-N 1 2 360.502 2.196 20 30 FEEDLO CC(=O)N1CC[N@@H+](CC(=O)NC2(C#N)CCCCC2)CC12CCCCC2 ZINC000374288652 557858826 /nfs/dbraw/zinc/85/88/26/557858826.db2.gz QPWLOJNPWDFLKQ-UHFFFAOYSA-N 1 2 360.502 2.196 20 30 FEEDLO COc1cc(C#N)ccc1OCC(=O)N1CC[NH2+][C@H](c2cccc(F)c2)C1 ZINC000374383841 557875937 /nfs/dbraw/zinc/87/59/37/557875937.db2.gz GOAAQHSEFMLCON-KRWDZBQOSA-N 1 2 369.396 2.258 20 30 FEEDLO C#CCOCCC(=O)N[C@@H]1CC[N@@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000374657077 557912889 /nfs/dbraw/zinc/91/28/89/557912889.db2.gz CSWNLYSQIIQNDN-QAPCUYQASA-N 1 2 354.372 2.395 20 30 FEEDLO C#CCOCCC(=O)N[C@@H]1CC[N@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000374657077 557912890 /nfs/dbraw/zinc/91/28/90/557912890.db2.gz CSWNLYSQIIQNDN-QAPCUYQASA-N 1 2 354.372 2.395 20 30 FEEDLO N#Cc1cccc(CNC(=O)C[NH+]2CCN(c3ccc(Cl)cn3)CC2)c1 ZINC000521186684 562171147 /nfs/dbraw/zinc/17/11/47/562171147.db2.gz JISBVMMZFFPCSX-UHFFFAOYSA-N 1 2 369.856 2.045 20 30 FEEDLO N#Cc1ccc(NC(=O)C(=O)N2CC[NH+](Cc3ccsc3)CC2)cc1F ZINC000521321059 562174347 /nfs/dbraw/zinc/17/43/47/562174347.db2.gz YQLZRQJBVPSUPF-UHFFFAOYSA-N 1 2 372.425 2.042 20 30 FEEDLO N#Cc1ccc(Br)c(C[N@@H+]2CCC[C@@]3(CNC(=O)O3)C2)c1 ZINC000375429823 558025829 /nfs/dbraw/zinc/02/58/29/558025829.db2.gz SFWRVFPPDJPQQO-OAHLLOKOSA-N 1 2 350.216 2.395 20 30 FEEDLO N#Cc1ccc(Br)c(C[N@H+]2CCC[C@@]3(CNC(=O)O3)C2)c1 ZINC000375429823 558025830 /nfs/dbraw/zinc/02/58/30/558025830.db2.gz SFWRVFPPDJPQQO-OAHLLOKOSA-N 1 2 350.216 2.395 20 30 FEEDLO COC(=O)[C@H](N[C@H]1CCCC[C@H]1[NH+]1CCOCC1)c1cccc(C#N)c1 ZINC000375470341 558032905 /nfs/dbraw/zinc/03/29/05/558032905.db2.gz JJXARCIFJOXVQR-IPMKNSEASA-N 1 2 357.454 2.005 20 30 FEEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2C[C@@H](C(N)=O)[C@H](C(F)(F)F)C2)c1C ZINC000375513907 558040857 /nfs/dbraw/zinc/04/08/57/558040857.db2.gz UZWBKPPKTMZBKY-ZIAGYGMSSA-N 1 2 357.376 2.069 20 30 FEEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2C[C@@H](C(N)=O)[C@H](C(F)(F)F)C2)c1C ZINC000375513907 558040858 /nfs/dbraw/zinc/04/08/58/558040858.db2.gz UZWBKPPKTMZBKY-ZIAGYGMSSA-N 1 2 357.376 2.069 20 30 FEEDLO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN(c3ccncc3C#N)C2)CC1 ZINC000376197451 558139588 /nfs/dbraw/zinc/13/95/88/558139588.db2.gz FWISXVWTTGNINM-INIZCTEOSA-N 1 2 357.458 2.085 20 30 FEEDLO C=C(CNC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1)c1ccccc1 ZINC000376668269 558205695 /nfs/dbraw/zinc/20/56/95/558205695.db2.gz XCEIFIZSVOTICP-LJQANCHMSA-N 1 2 361.511 2.207 20 30 FEEDLO Cc1cc[nH+]c(C)c1NC(=O)N1CCN(Cc2ccc(C#N)cc2)C(=O)C1 ZINC000376673243 558206192 /nfs/dbraw/zinc/20/61/92/558206192.db2.gz ORUCBBCSVGHIIJ-UHFFFAOYSA-N 1 2 363.421 2.446 20 30 FEEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c1 ZINC000377768795 558416235 /nfs/dbraw/zinc/41/62/35/558416235.db2.gz SDKLLVKVSZJYOG-MSOLQXFVSA-N 1 2 360.479 2.365 20 30 FEEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c1 ZINC000377768795 558416239 /nfs/dbraw/zinc/41/62/39/558416239.db2.gz SDKLLVKVSZJYOG-MSOLQXFVSA-N 1 2 360.479 2.365 20 30 FEEDLO C[C@H](C(=O)NCC(F)(F)F)[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000378208994 558503402 /nfs/dbraw/zinc/50/34/02/558503402.db2.gz VAQLWPHLCPHTAR-CYBMUJFWSA-N 1 2 354.376 2.137 20 30 FEEDLO C[C@H](C(=O)NCC(F)(F)F)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000378208994 558503404 /nfs/dbraw/zinc/50/34/04/558503404.db2.gz VAQLWPHLCPHTAR-CYBMUJFWSA-N 1 2 354.376 2.137 20 30 FEEDLO C=C[C@H](CC(=O)N1CCC(N2CC[N@@H+](C)CC2=O)CC1)c1ccccc1 ZINC000378566979 558585305 /nfs/dbraw/zinc/58/53/05/558585305.db2.gz BLYMWKHVOOBLOQ-QGZVFWFLSA-N 1 2 355.482 2.111 20 30 FEEDLO C=C[C@H](CC(=O)N1CCC(N2CC[N@H+](C)CC2=O)CC1)c1ccccc1 ZINC000378566979 558585306 /nfs/dbraw/zinc/58/53/06/558585306.db2.gz BLYMWKHVOOBLOQ-QGZVFWFLSA-N 1 2 355.482 2.111 20 30 FEEDLO COc1cc(C[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)ccc1OC(F)F ZINC000523734087 562218691 /nfs/dbraw/zinc/21/86/91/562218691.db2.gz BRDMJTHGAOAQME-INIZCTEOSA-N 1 2 361.348 2.484 20 30 FEEDLO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1S(=O)(=O)c1cccc(Br)c1C#N ZINC000408115015 558647681 /nfs/dbraw/zinc/64/76/81/558647681.db2.gz JXWAAZIHBAQEIE-GHMZBOCLSA-N 1 2 372.288 2.034 20 30 FEEDLO C[C@@H]1[C@@H](C)[N@H+](C)CCN1S(=O)(=O)c1cccc(Br)c1C#N ZINC000408115015 558647680 /nfs/dbraw/zinc/64/76/80/558647680.db2.gz JXWAAZIHBAQEIE-GHMZBOCLSA-N 1 2 372.288 2.034 20 30 FEEDLO COc1ccccc1[C@@H](CNS(=O)(=O)c1cc(C#N)ccc1C)[NH+](C)C ZINC000524450771 562228900 /nfs/dbraw/zinc/22/89/00/562228900.db2.gz DKJHGCQOIBXROJ-QGZVFWFLSA-N 1 2 373.478 2.457 20 30 FEEDLO C[C@@H](CCC#N)N1CC[NH+]([C@@H]2CCCN(Cc3ccccc3)C2=O)CC1 ZINC000411500073 558906362 /nfs/dbraw/zinc/90/63/62/558906362.db2.gz SEGYWGGAWJSHBA-AZUAARDMSA-N 1 2 354.498 2.487 20 30 FEEDLO C[C@H]([NH2+][C@@H](C)c1nc(-c2cccc(F)c2)no1)C(=O)NC1(C#N)CCC1 ZINC000526057750 562265436 /nfs/dbraw/zinc/26/54/36/562265436.db2.gz VQKOAJXCTXXVJB-RYUDHWBXSA-N 1 2 357.389 2.477 20 30 FEEDLO CN(C(=O)c1cc(-c2cccc(C#N)c2)no1)C(C)(C)C[NH+]1CCOCC1 ZINC000414046362 559148994 /nfs/dbraw/zinc/14/89/94/559148994.db2.gz YXACFWXBDSSVRZ-UHFFFAOYSA-N 1 2 368.437 2.396 20 30 FEEDLO Cn1c(SC[C@@H](O)C[N@H+](C)CCC#N)nnc1-c1ccccc1Cl ZINC000414093815 559149065 /nfs/dbraw/zinc/14/90/65/559149065.db2.gz HVGSGSXGBZVHCP-LBPRGKRZSA-N 1 2 365.890 2.434 20 30 FEEDLO Cn1c(SC[C@@H](O)C[N@@H+](C)CCC#N)nnc1-c1ccccc1Cl ZINC000414093815 559149066 /nfs/dbraw/zinc/14/90/66/559149066.db2.gz HVGSGSXGBZVHCP-LBPRGKRZSA-N 1 2 365.890 2.434 20 30 FEEDLO Cc1cc(NC(=O)c2cccnc2)ccc1OC[C@H](O)C[N@H+](C)CCC#N ZINC000414121102 559150186 /nfs/dbraw/zinc/15/01/86/559150186.db2.gz FZEXOGXEKAPMDE-GOSISDBHSA-N 1 2 368.437 2.228 20 30 FEEDLO Cc1cc(NC(=O)c2cccnc2)ccc1OC[C@H](O)C[N@@H+](C)CCC#N ZINC000414121102 559150187 /nfs/dbraw/zinc/15/01/87/559150187.db2.gz FZEXOGXEKAPMDE-GOSISDBHSA-N 1 2 368.437 2.228 20 30 FEEDLO C=CCC[C@H]1NC(=O)N(C[C@H](c2cccc(C)c2)[NH+]2CCOCC2)C1=O ZINC000419922347 559464771 /nfs/dbraw/zinc/46/47/71/559464771.db2.gz JZWFJSXIKVTSLO-QZTJIDSGSA-N 1 2 357.454 2.255 20 30 FEEDLO N#Cc1ccc(CN2CC[NH+]([C@H](C(N)=O)c3ccccc3)CC2)cc1F ZINC000421355940 559540030 /nfs/dbraw/zinc/54/00/30/559540030.db2.gz KIWODBGYXBVXQB-IBGZPJMESA-N 1 2 352.413 2.042 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN([C@H](C(N)=O)c3ccccc3)CC2)cc1F ZINC000421355940 559540031 /nfs/dbraw/zinc/54/00/31/559540031.db2.gz KIWODBGYXBVXQB-IBGZPJMESA-N 1 2 352.413 2.042 20 30 FEEDLO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000422524644 559592783 /nfs/dbraw/zinc/59/27/83/559592783.db2.gz GFAHIPGZOBXZGC-GOSISDBHSA-N 1 2 366.465 2.419 20 30 FEEDLO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000422524644 559592784 /nfs/dbraw/zinc/59/27/84/559592784.db2.gz GFAHIPGZOBXZGC-GOSISDBHSA-N 1 2 366.465 2.419 20 30 FEEDLO C=C(C)Cn1c([C@@H]2CCCS2)nnc1N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000424242176 559659056 /nfs/dbraw/zinc/65/90/56/559659056.db2.gz JIQCWESMAYYMPD-HOTGVXAUSA-N 1 2 363.531 2.333 20 30 FEEDLO C=CCn1cc(C[NH2+][C@@H](CN2CCOCC2)c2ccc(CC)cc2)nn1 ZINC000424294331 559660957 /nfs/dbraw/zinc/66/09/57/559660957.db2.gz KPTPZYGMCJHONA-FQEVSTJZSA-N 1 2 355.486 2.190 20 30 FEEDLO Cc1ccc(S(=O)(=O)N2CCC(Nc3cc(C)[nH+]cc3C#N)CC2)cc1 ZINC000425205253 559691083 /nfs/dbraw/zinc/69/10/83/559691083.db2.gz IDHMMPJDCFTSQK-UHFFFAOYSA-N 1 2 370.478 2.257 20 30 FEEDLO N#CCN1CCC[C@H](CNC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000425232542 559692563 /nfs/dbraw/zinc/69/25/63/559692563.db2.gz KJURFCOYDOYYGK-SJLPKXTDSA-N 1 2 351.454 2.283 20 30 FEEDLO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000425383029 559699039 /nfs/dbraw/zinc/69/90/39/559699039.db2.gz JNIAOMBQMNYXRM-YOEHRIQHSA-N 1 2 365.437 2.207 20 30 FEEDLO N#Cc1cnc(C(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)c(Cl)c1 ZINC000427910346 559765180 /nfs/dbraw/zinc/76/51/80/559765180.db2.gz WZTDCNKAEJQGEQ-QGZVFWFLSA-N 1 2 370.840 2.410 20 30 FEEDLO CC(C)N(CC(F)(F)F)C(=O)C[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000428792332 559783483 /nfs/dbraw/zinc/78/34/83/559783483.db2.gz HWNVFOKHCGFPCP-AWEZNQCLSA-N 1 2 370.375 2.206 20 30 FEEDLO CC(C)N(CC(F)(F)F)C(=O)C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000428792332 559783484 /nfs/dbraw/zinc/78/34/84/559783484.db2.gz HWNVFOKHCGFPCP-AWEZNQCLSA-N 1 2 370.375 2.206 20 30 FEEDLO N#C[C@H](CCc1ccccc1)C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000433227973 559874304 /nfs/dbraw/zinc/87/43/04/559874304.db2.gz UURJJCKUHLTEQU-SFHVURJKSA-N 1 2 364.449 2.307 20 30 FEEDLO C[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)CCN1c1nccn2cnnc12 ZINC000441259723 560027270 /nfs/dbraw/zinc/02/72/70/560027270.db2.gz FDMCNKQKLNPUCY-OAHLLOKOSA-N 1 2 366.856 2.340 20 30 FEEDLO C[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)CCN1c1nccn2cnnc12 ZINC000441259723 560027271 /nfs/dbraw/zinc/02/72/71/560027271.db2.gz FDMCNKQKLNPUCY-OAHLLOKOSA-N 1 2 366.856 2.340 20 30 FEEDLO COC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2C(C)(C)C#N)[C@@H]1C(=O)OC ZINC000441659178 560037187 /nfs/dbraw/zinc/03/71/87/560037187.db2.gz QYRLCPVRHLYTFV-WBVHZDCISA-N 1 2 358.438 2.414 20 30 FEEDLO COC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2C(C)(C)C#N)[C@@H]1C(=O)OC ZINC000441659178 560037188 /nfs/dbraw/zinc/03/71/88/560037188.db2.gz QYRLCPVRHLYTFV-WBVHZDCISA-N 1 2 358.438 2.414 20 30 FEEDLO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N=c1ccc(C2CC2)n[nH]1 ZINC000448152563 560179017 /nfs/dbraw/zinc/17/90/17/560179017.db2.gz ALOMSNHMKBAYPV-UHFFFAOYSA-N 1 2 364.453 2.821 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000448760435 560198227 /nfs/dbraw/zinc/19/82/27/560198227.db2.gz ANVZJEHPBPEKNS-OLZOCXBDSA-N 1 2 350.216 2.304 20 30 FEEDLO Cc1ccc([C@H](CNC(=O)c2ccc(C#N)n2C)[NH+]2CCOCC2)cc1 ZINC000448753837 560197917 /nfs/dbraw/zinc/19/79/17/560197917.db2.gz RFYWTWZXXFNXPG-IBGZPJMESA-N 1 2 352.438 2.009 20 30 FEEDLO Cc1[nH]c(C#N)cc1C(=O)N(C)C[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000450042302 560249022 /nfs/dbraw/zinc/24/90/22/560249022.db2.gz LPMJZFTUAMYPQW-MRXNPFEDSA-N 1 2 358.467 2.402 20 30 FEEDLO N#Cc1cnc(NC[C@H](c2ccccc2)[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000450240952 560255243 /nfs/dbraw/zinc/25/52/43/560255243.db2.gz FKOYAMZBGMFSOU-QGZVFWFLSA-N 1 2 353.382 2.347 20 30 FEEDLO CN(C)C(=O)C1([NH2+]Cc2nnc(-c3ccc(C#N)cc3)o2)CCCCC1 ZINC000451407615 560304940 /nfs/dbraw/zinc/30/49/40/560304940.db2.gz VLZAZEGGOUKZNV-UHFFFAOYSA-N 1 2 353.426 2.489 20 30 FEEDLO COc1ccc2c(c1)C[N@@H+](CC(=O)NCc1ccc(C#N)cc1)CCO2 ZINC000451641451 560318706 /nfs/dbraw/zinc/31/87/06/560318706.db2.gz IAFBLZVHOFKEBR-UHFFFAOYSA-N 1 2 351.406 2.078 20 30 FEEDLO COc1ccc2c(c1)C[N@H+](CC(=O)NCc1ccc(C#N)cc1)CCO2 ZINC000451641451 560318707 /nfs/dbraw/zinc/31/87/07/560318707.db2.gz IAFBLZVHOFKEBR-UHFFFAOYSA-N 1 2 351.406 2.078 20 30 FEEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CC[C@@](CO)(COC)C1 ZINC000451929738 560338467 /nfs/dbraw/zinc/33/84/67/560338467.db2.gz QBUZYWBNBIBGNS-GOSISDBHSA-N 1 2 350.484 2.234 20 30 FEEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@@](CO)(COC)C1 ZINC000451929738 560338468 /nfs/dbraw/zinc/33/84/68/560338468.db2.gz QBUZYWBNBIBGNS-GOSISDBHSA-N 1 2 350.484 2.234 20 30 FEEDLO C[C@H]1CN(C(=O)C(C)(C)Cc2ccc(C#N)cc2)C[C@@H]1[NH+]1CCOCC1 ZINC000455804144 560495217 /nfs/dbraw/zinc/49/52/17/560495217.db2.gz IZPVNCLHPZCIIW-LPHOPBHVSA-N 1 2 355.482 2.306 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)[C@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000456259549 560513597 /nfs/dbraw/zinc/51/35/97/560513597.db2.gz HCMONTQNEKYCDS-IPELMVKDSA-N 1 2 361.461 2.186 20 30 FEEDLO C[C@@H]1CN(c2ccc(CNC(=O)N(C)CC(C)(C)C#N)c[nH+]2)C[C@H](C)O1 ZINC000457646339 560579703 /nfs/dbraw/zinc/57/97/03/560579703.db2.gz GIGFHDICIJZNGA-GASCZTMLSA-N 1 2 359.474 2.386 20 30 FEEDLO CCOC(=O)[C@]1(COC)CCC[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000459434161 560686141 /nfs/dbraw/zinc/68/61/41/560686141.db2.gz MXCHRMYWPLQNQL-GOSISDBHSA-N 1 2 361.398 2.258 20 30 FEEDLO CCOC(=O)[C@]1(COC)CCC[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000459434161 560686142 /nfs/dbraw/zinc/68/61/42/560686142.db2.gz MXCHRMYWPLQNQL-GOSISDBHSA-N 1 2 361.398 2.258 20 30 FEEDLO Cn1cc[nH+]c1[C@H](NC(=O)Nc1cnc(C#N)c(Cl)c1)C(C)(C)CO ZINC000459606411 560697451 /nfs/dbraw/zinc/69/74/51/560697451.db2.gz NGYARUADFSRDML-ZDUSSCGKSA-N 1 2 362.821 2.221 20 30 FEEDLO C[C@H](C[N@H+](C)CCS(=O)(=O)c1cccc(C#N)c1)C(=O)OC(C)(C)C ZINC000459810796 560710034 /nfs/dbraw/zinc/71/00/34/560710034.db2.gz QILHEKMOCRKQDL-CQSZACIVSA-N 1 2 366.483 2.242 20 30 FEEDLO C[C@H](C[N@@H+](C)CCS(=O)(=O)c1cccc(C#N)c1)C(=O)OC(C)(C)C ZINC000459810796 560710035 /nfs/dbraw/zinc/71/00/35/560710035.db2.gz QILHEKMOCRKQDL-CQSZACIVSA-N 1 2 366.483 2.242 20 30 FEEDLO C=CCN(Cc1cccs1)C(=O)C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000459864828 560714630 /nfs/dbraw/zinc/71/46/30/560714630.db2.gz INDOZUJGLHWVKQ-AWEZNQCLSA-N 1 2 358.467 2.012 20 30 FEEDLO N#Cc1cccc(CCNC(=O)NCCNc2ccc3ccccc3[nH+]2)c1 ZINC000466827421 560896822 /nfs/dbraw/zinc/89/68/22/560896822.db2.gz CXYZZDONACWJHC-UHFFFAOYSA-N 1 2 359.433 3.060 20 30 FEEDLO N#Cc1cccc(N2CC[NH+](CCOCC(F)(F)C(F)(F)F)CC2)n1 ZINC000469790478 560964669 /nfs/dbraw/zinc/96/46/69/560964669.db2.gz LDWPOMDQZWJEQL-UHFFFAOYSA-N 1 2 364.318 2.289 20 30 FEEDLO Cc1nc(S(=O)(=O)N2CC[NH+](CCCC(C)(C)C#N)CC2)cs1 ZINC000470907293 560993330 /nfs/dbraw/zinc/99/33/30/560993330.db2.gz RVAQTAHNDYBPIM-UHFFFAOYSA-N 1 2 356.517 2.088 20 30 FEEDLO O=C1c2ccccc2C(=O)N1CC#CC[NH+]1CCN(c2cccs2)CC1 ZINC000528402884 562327041 /nfs/dbraw/zinc/32/70/41/562327041.db2.gz HSYNGTGMYZQEIP-UHFFFAOYSA-N 1 2 365.458 2.170 20 30 FEEDLO COc1ccc(C[N@@H+]2CC[C@H]2CNS(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000528504996 562332906 /nfs/dbraw/zinc/33/29/06/562332906.db2.gz XDPOFGQFDREHTK-KRWDZBQOSA-N 1 2 371.462 2.120 20 30 FEEDLO COc1ccc(C[N@H+]2CC[C@H]2CNS(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000528504996 562332907 /nfs/dbraw/zinc/33/29/07/562332907.db2.gz XDPOFGQFDREHTK-KRWDZBQOSA-N 1 2 371.462 2.120 20 30 FEEDLO N#Cc1ccccc1OC[C@@H](O)C[NH+]1CCN(c2c(F)cccc2F)CC1 ZINC000528536880 562334813 /nfs/dbraw/zinc/33/48/13/562334813.db2.gz LAHFRPVLLGQJPK-INIZCTEOSA-N 1 2 373.403 2.398 20 30 FEEDLO COCCC1CC[NH+](CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)CC1 ZINC000528576642 562337029 /nfs/dbraw/zinc/33/70/29/562337029.db2.gz DOSJBEWWFNCLPW-MRXNPFEDSA-N 1 2 368.437 2.260 20 30 FEEDLO N#CCN1CCC[C@H](CNC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)C1 ZINC000530639779 562418650 /nfs/dbraw/zinc/41/86/50/562418650.db2.gz XDGWLPSQAKHHHJ-MJGOQNOKSA-N 1 2 372.538 2.128 20 30 FEEDLO N#CCc1ccc(Oc2ccc(C(=O)N3CC[NH+](CCO)CC3)cc2)cc1 ZINC000530788351 562423934 /nfs/dbraw/zinc/42/39/34/562423934.db2.gz XOGOFGYAGDSVRW-UHFFFAOYSA-N 1 2 365.433 2.295 20 30 FEEDLO COc1cc(C[NH+]2CCN(C(=O)C3(C#N)CC(C)C3)CC2)cc(OC)c1 ZINC000532080847 562466477 /nfs/dbraw/zinc/46/64/77/562466477.db2.gz HLCMOVMWEHOIMW-UHFFFAOYSA-N 1 2 357.454 2.288 20 30 FEEDLO CC(C)(C)C[N@H+](CCC#N)CC(=O)NCCOc1ccc2c(c1)OCO2 ZINC000532415609 562477172 /nfs/dbraw/zinc/47/71/72/562477172.db2.gz CDOVDOGEILJRKG-UHFFFAOYSA-N 1 2 361.442 2.172 20 30 FEEDLO CC(C)(C)C[N@@H+](CCC#N)CC(=O)NCCOc1ccc2c(c1)OCO2 ZINC000532415609 562477173 /nfs/dbraw/zinc/47/71/73/562477173.db2.gz CDOVDOGEILJRKG-UHFFFAOYSA-N 1 2 361.442 2.172 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)N2CC(n3cc[nH+]c3)C2)cc1C(F)(F)F ZINC000541123823 562603808 /nfs/dbraw/zinc/60/38/08/562603808.db2.gz AARUNYGXYQEZIJ-UHFFFAOYSA-N 1 2 356.329 2.019 20 30 FEEDLO N#CCC1CCN(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)CC1 ZINC000541912928 562623298 /nfs/dbraw/zinc/62/32/98/562623298.db2.gz QHTOSMQMBVWCNA-IBGZPJMESA-N 1 2 356.470 2.395 20 30 FEEDLO Cn1cc(C[NH+]2CCN(c3ccc(Br)cc3C#N)CC2)cn1 ZINC000542101735 562626914 /nfs/dbraw/zinc/62/69/14/562626914.db2.gz CRBVYADVENBCQV-UHFFFAOYSA-N 1 2 360.259 2.376 20 30 FEEDLO CN1CCCC[C@@H]([N@H+](C)CC(=O)Nc2ccccc2SCC#N)C1=O ZINC000601969748 567890228 /nfs/dbraw/zinc/89/02/28/567890228.db2.gz KUTDXJXOHBABML-OAHLLOKOSA-N 1 2 360.483 2.183 20 30 FEEDLO CN1CCCC[C@@H]([N@@H+](C)CC(=O)Nc2ccccc2SCC#N)C1=O ZINC000601969748 567890229 /nfs/dbraw/zinc/89/02/29/567890229.db2.gz KUTDXJXOHBABML-OAHLLOKOSA-N 1 2 360.483 2.183 20 30 FEEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000602987874 568034051 /nfs/dbraw/zinc/03/40/51/568034051.db2.gz UJWIWGGINIQPFC-NWDGAFQWSA-N 1 2 373.400 2.343 20 30 FEEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000602987874 568034052 /nfs/dbraw/zinc/03/40/52/568034052.db2.gz UJWIWGGINIQPFC-NWDGAFQWSA-N 1 2 373.400 2.343 20 30 FEEDLO N#C[C@H](c1ccc(F)cc1)N1CC[NH+]([C@H]2CCN(C3CCC3)C2=O)CC1 ZINC000602802275 568036947 /nfs/dbraw/zinc/03/69/47/568036947.db2.gz PZUPBEXCQRNANB-RBUKOAKNSA-N 1 2 356.445 2.161 20 30 FEEDLO C[C@H](CC#N)[NH2+]CC(=O)N1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000602862049 568049678 /nfs/dbraw/zinc/04/96/78/568049678.db2.gz ITLMXVIAVFVBLN-CYBMUJFWSA-N 1 2 352.841 2.015 20 30 FEEDLO C[C@H](CC#N)[NH2+]CC(=O)N(C)CCOc1ccc(Br)cc1 ZINC000602862913 568050009 /nfs/dbraw/zinc/05/00/09/568050009.db2.gz KWKCQTFVIJXJFB-GFCCVEGCSA-N 1 2 354.248 2.178 20 30 FEEDLO COc1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000568710440 568136982 /nfs/dbraw/zinc/13/69/82/568136982.db2.gz SPWSYGLAMRJEOE-GOEBONIOSA-N 1 2 366.421 2.442 20 30 FEEDLO COc1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000568710440 568136983 /nfs/dbraw/zinc/13/69/83/568136983.db2.gz SPWSYGLAMRJEOE-GOEBONIOSA-N 1 2 366.421 2.442 20 30 FEEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)CC(=O)N(C)C1CCCCC1 ZINC000603876589 568175317 /nfs/dbraw/zinc/17/53/17/568175317.db2.gz ICZYONRCJVBXPL-INIZCTEOSA-N 1 2 362.518 2.440 20 30 FEEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)CC(=O)N(C)C1CCCCC1 ZINC000603876589 568175318 /nfs/dbraw/zinc/17/53/18/568175318.db2.gz ICZYONRCJVBXPL-INIZCTEOSA-N 1 2 362.518 2.440 20 30 FEEDLO C=CCNC(=O)NC(=O)C[N@@H+](C)Cc1ccc(Br)cc1F ZINC000604438895 568293820 /nfs/dbraw/zinc/29/38/20/568293820.db2.gz AYWIXTWKDCWCPZ-UHFFFAOYSA-N 1 2 358.211 2.032 20 30 FEEDLO C=CCNC(=O)NC(=O)C[N@H+](C)Cc1ccc(Br)cc1F ZINC000604438895 568293821 /nfs/dbraw/zinc/29/38/21/568293821.db2.gz AYWIXTWKDCWCPZ-UHFFFAOYSA-N 1 2 358.211 2.032 20 30 FEEDLO CC(C)[C@@H](C#N)N1CC[NH+](Cc2cc(=O)n3cc(Cl)ccc3n2)CC1 ZINC000609484300 568344361 /nfs/dbraw/zinc/34/43/61/568344361.db2.gz ACTBOCBYJFXRFF-MRXNPFEDSA-N 1 2 359.861 2.014 20 30 FEEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN(c2cccc(Br)c2)CC1 ZINC000556505140 674404988 /nfs/dbraw/zinc/40/49/88/674404988.db2.gz CIKJZYFQSSSADT-CYBMUJFWSA-N 1 2 352.276 2.262 20 30 FEEDLO C[N@H+](Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)o1)Cc1ccc(C#N)cc1 ZINC000821609661 599559162 /nfs/dbraw/zinc/55/91/62/599559162.db2.gz GUMVACAYPFHTJC-UHFFFAOYSA-N 1 2 372.392 2.420 20 30 FEEDLO C[N@@H+](Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)o1)Cc1ccc(C#N)cc1 ZINC000821609661 599559165 /nfs/dbraw/zinc/55/91/65/599559165.db2.gz GUMVACAYPFHTJC-UHFFFAOYSA-N 1 2 372.392 2.420 20 30 FEEDLO N#C[C@H](c1ccccc1)N1CC[NH+](Cc2cc(-c3nn[nH]n3)cs2)CC1 ZINC000822801319 607388546 /nfs/dbraw/zinc/38/85/46/607388546.db2.gz GYFYZBZHRHVWFV-QGZVFWFLSA-N 1 2 365.466 2.311 20 30 FEEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](Cc2cc(-c3nn[nH]n3)cs2)CC1 ZINC000822801318 607388801 /nfs/dbraw/zinc/38/88/01/607388801.db2.gz GYFYZBZHRHVWFV-KRWDZBQOSA-N 1 2 365.466 2.311 20 30 FEEDLO C[C@H]1CC[N@H+](Cc2cn(CCC#N)nc2-c2ccncc2)CC[S@]1=O ZINC000562427527 674754843 /nfs/dbraw/zinc/75/48/43/674754843.db2.gz ZOXMLUNWKQTXLF-ODCWNRFASA-N 1 2 357.483 2.202 20 30 FEEDLO C[C@H]1CC[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)CC[S@]1=O ZINC000562427527 674754847 /nfs/dbraw/zinc/75/48/47/674754847.db2.gz ZOXMLUNWKQTXLF-ODCWNRFASA-N 1 2 357.483 2.202 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1NC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000562589246 674773388 /nfs/dbraw/zinc/77/33/88/674773388.db2.gz WJKMWWFXECLUGX-QZWWFDLISA-N 1 2 351.397 2.353 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1NC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000562589246 674773392 /nfs/dbraw/zinc/77/33/92/674773392.db2.gz WJKMWWFXECLUGX-QZWWFDLISA-N 1 2 351.397 2.353 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000562589244 674773173 /nfs/dbraw/zinc/77/31/73/674773173.db2.gz WJKMWWFXECLUGX-LTIDMASMSA-N 1 2 351.397 2.353 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000562589244 674773175 /nfs/dbraw/zinc/77/31/75/674773175.db2.gz WJKMWWFXECLUGX-LTIDMASMSA-N 1 2 351.397 2.353 20 30 FEEDLO CCC1(CC)[C@H](OC)C[C@@H]1[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000564149018 674978444 /nfs/dbraw/zinc/97/84/44/674978444.db2.gz YAOKMBBWVUXEFG-JKSUJKDBSA-N 1 2 365.499 2.252 20 30 FEEDLO CCC1(CC)[C@H](OC)C[C@@H]1[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000564149018 674978448 /nfs/dbraw/zinc/97/84/48/674978448.db2.gz YAOKMBBWVUXEFG-JKSUJKDBSA-N 1 2 365.499 2.252 20 30 FEEDLO C#CC[C@@H](CO)NC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000816674262 675072216 /nfs/dbraw/zinc/07/22/16/675072216.db2.gz VROYXNJXRGPJQB-JKSUJKDBSA-N 1 2 365.271 2.086 20 30 FEEDLO COc1cc(C#N)ccc1OCC[NH+]1CCN(C2=NC[C@@H](C)S2)CC1 ZINC000079496962 670606188 /nfs/dbraw/zinc/60/61/88/670606188.db2.gz UTZVYHOKAMVBKU-CQSZACIVSA-N 1 2 360.483 2.055 20 30 FEEDLO C[N@H+](CCC#N)C[C@H](O)CNc1ccc(NC[C@H]2CCCO2)c(F)c1 ZINC000570082298 670658486 /nfs/dbraw/zinc/65/84/86/670658486.db2.gz IAEPSWHJQBIQDU-HZPDHXFCSA-N 1 2 350.438 2.035 20 30 FEEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1ccc(NC[C@H]2CCCO2)c(F)c1 ZINC000570082298 670658494 /nfs/dbraw/zinc/65/84/94/670658494.db2.gz IAEPSWHJQBIQDU-HZPDHXFCSA-N 1 2 350.438 2.035 20 30 FEEDLO N#Cc1csc(C[NH2+]Cc2cccc(C(=O)NC[C@H]3CCCO3)c2)n1 ZINC000571604422 670899731 /nfs/dbraw/zinc/89/97/31/670899731.db2.gz ACLJRLCNNLLUIW-MRXNPFEDSA-N 1 2 356.451 2.213 20 30 FEEDLO C=CCN(C)C(=O)C(=O)N[C@@H]1CC[N@@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000574478166 671244919 /nfs/dbraw/zinc/24/49/19/671244919.db2.gz WDOHWJCUWVCJKX-CVEARBPZSA-N 1 2 367.852 2.375 20 30 FEEDLO C=CCN(C)C(=O)C(=O)N[C@@H]1CC[N@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000574478166 671244920 /nfs/dbraw/zinc/24/49/20/671244920.db2.gz WDOHWJCUWVCJKX-CVEARBPZSA-N 1 2 367.852 2.375 20 30 FEEDLO C[C@H]1CCN(S(=O)(=O)Cc2ccc(CC#N)cc2)C[C@H]1n1cc[nH+]c1 ZINC000577628576 671609434 /nfs/dbraw/zinc/60/94/34/671609434.db2.gz MLAAAAKUWNLYNM-MAUKXSAKSA-N 1 2 358.467 2.362 20 30 FEEDLO C[C@H](CNS(=O)(=O)CC1(C#N)CCC1)[N@@H+]1CCc2sccc2C1 ZINC000579291613 671725172 /nfs/dbraw/zinc/72/51/72/671725172.db2.gz XSUJOOFVEYOGRU-CYBMUJFWSA-N 1 2 353.513 2.108 20 30 FEEDLO C[C@H](CNS(=O)(=O)CC1(C#N)CCC1)[N@H+]1CCc2sccc2C1 ZINC000579291613 671725175 /nfs/dbraw/zinc/72/51/75/671725175.db2.gz XSUJOOFVEYOGRU-CYBMUJFWSA-N 1 2 353.513 2.108 20 30 FEEDLO C[C@H](Sc1cccnc1C#N)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000581439120 671897443 /nfs/dbraw/zinc/89/74/43/671897443.db2.gz KLIIIFNMHOJWCK-AWEZNQCLSA-N 1 2 353.451 2.178 20 30 FEEDLO C=CC[N@@H+](C)CC(=O)Nc1sc2c(c1C(=O)NCCOC)CCCC2 ZINC000121606408 671953530 /nfs/dbraw/zinc/95/35/30/671953530.db2.gz BBUYROOQZVXCTM-UHFFFAOYSA-N 1 2 365.499 2.059 20 30 FEEDLO C=CC[N@H+](C)CC(=O)Nc1sc2c(c1C(=O)NCCOC)CCCC2 ZINC000121606408 671953535 /nfs/dbraw/zinc/95/35/35/671953535.db2.gz BBUYROOQZVXCTM-UHFFFAOYSA-N 1 2 365.499 2.059 20 30 FEEDLO C=CCC[C@@H](CC)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)[nH+]c1 ZINC000679149956 672469400 /nfs/dbraw/zinc/46/94/00/672469400.db2.gz WJGIHCMZEDFNGU-OAHLLOKOSA-N 1 2 352.504 2.320 20 30 FEEDLO CC(C)[C@]1(CO)CCC[N@H+](CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000590203734 672564641 /nfs/dbraw/zinc/56/46/41/672564641.db2.gz QSHIXQIYTQYYNI-GOSISDBHSA-N 1 2 350.484 2.062 20 30 FEEDLO CC(C)[C@]1(CO)CCC[N@@H+](CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000590203734 672564644 /nfs/dbraw/zinc/56/46/44/672564644.db2.gz QSHIXQIYTQYYNI-GOSISDBHSA-N 1 2 350.484 2.062 20 30 FEEDLO C=CCNC(=O)NC(=O)C[N@@H+](Cc1csc(Br)c1)C1CC1 ZINC000193618087 672730796 /nfs/dbraw/zinc/73/07/96/672730796.db2.gz MSTRHQUYNMHFDA-UHFFFAOYSA-N 1 2 372.288 2.487 20 30 FEEDLO C=CCNC(=O)NC(=O)C[N@H+](Cc1csc(Br)c1)C1CC1 ZINC000193618087 672730799 /nfs/dbraw/zinc/73/07/99/672730799.db2.gz MSTRHQUYNMHFDA-UHFFFAOYSA-N 1 2 372.288 2.487 20 30 FEEDLO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592149144 672764196 /nfs/dbraw/zinc/76/41/96/672764196.db2.gz JMAGKRBAJASUCQ-INIZCTEOSA-N 1 2 356.253 2.302 20 30 FEEDLO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592149144 672764199 /nfs/dbraw/zinc/76/41/99/672764199.db2.gz JMAGKRBAJASUCQ-INIZCTEOSA-N 1 2 356.253 2.302 20 30 FEEDLO COC(=O)c1cccc(-c2nc(C[N@@H+]3CC[C@](O)(CC#N)C3)cs2)c1 ZINC000592151145 672764813 /nfs/dbraw/zinc/76/48/13/672764813.db2.gz MZIUUQOYELNNQO-GOSISDBHSA-N 1 2 357.435 2.447 20 30 FEEDLO COC(=O)c1cccc(-c2nc(C[N@H+]3CC[C@](O)(CC#N)C3)cs2)c1 ZINC000592151145 672764816 /nfs/dbraw/zinc/76/48/16/672764816.db2.gz MZIUUQOYELNNQO-GOSISDBHSA-N 1 2 357.435 2.447 20 30 FEEDLO C[C@H](C(=O)N[C@@H](c1nccn1C)C1CCOCC1)[NH+]1CCSCC1 ZINC000328998125 673070810 /nfs/dbraw/zinc/07/08/10/673070810.db2.gz GZFNISLKJZNLAH-UKRRQHHQSA-N 1 2 352.504 2.282 20 30 FEEDLO O=C(N[C@@H]1CCO[C@@]2(CCOC2)C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000329101118 673072543 /nfs/dbraw/zinc/07/25/43/673072543.db2.gz DXZZBYLBSLBMEM-QAPCUYQASA-N 1 2 365.499 2.118 20 30 FEEDLO COC(=O)[C@H](c1ccc(Cl)cc1)[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000595396026 673241989 /nfs/dbraw/zinc/24/19/89/673241989.db2.gz BOKWTBFVUNHOCL-HNNXBMFYSA-N 1 2 361.833 2.296 20 30 FEEDLO COC(=O)[C@H](c1ccc(Cl)cc1)[N@@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000595396026 673241991 /nfs/dbraw/zinc/24/19/91/673241991.db2.gz BOKWTBFVUNHOCL-HNNXBMFYSA-N 1 2 361.833 2.296 20 30 FEEDLO CC(C)NC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000595851330 673330325 /nfs/dbraw/zinc/33/03/25/673330325.db2.gz QXJNUUSONCTVPX-AWEZNQCLSA-N 1 2 362.861 2.387 20 30 FEEDLO CC(C)NC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000595851330 673330326 /nfs/dbraw/zinc/33/03/26/673330326.db2.gz QXJNUUSONCTVPX-AWEZNQCLSA-N 1 2 362.861 2.387 20 30 FEEDLO CCOC(=O)c1sc([C@@H](C)[NH2+]CC(=O)N[C@@](C)(C#N)C2CC2)nc1C ZINC000542623314 673593808 /nfs/dbraw/zinc/59/38/08/673593808.db2.gz VCKJUIHYEMYMAW-DIFFPNOSSA-N 1 2 364.471 2.087 20 30 FEEDLO Cc1nc(SCC(=O)N[C@@H]2CCn3c[nH+]cc3C2)c(C#N)c(C)c1C ZINC000598946713 673624473 /nfs/dbraw/zinc/62/44/73/673624473.db2.gz INYLQCSTAWUYHJ-CQSZACIVSA-N 1 2 355.467 2.298 20 30 FEEDLO Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000601405172 673856936 /nfs/dbraw/zinc/85/69/36/673856936.db2.gz KYHMRLVPABIWCX-MRXNPFEDSA-N 1 2 361.398 2.243 20 30 FEEDLO Cc1csc(NC(=O)N2CC[NH+](CCc3cnccn3)CC2)c1C#N ZINC000603011542 673915535 /nfs/dbraw/zinc/91/55/35/673915535.db2.gz HTBMSHSIDPOPCV-UHFFFAOYSA-N 1 2 356.455 2.110 20 30 FEEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1cc(F)ccc1OC[C@@H]1CCCO1 ZINC000819436882 675290493 /nfs/dbraw/zinc/29/04/93/675290493.db2.gz GTJRTAARYPZYFO-HOTGVXAUSA-N 1 2 351.422 2.002 20 30 FEEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1cc(F)ccc1OC[C@@H]1CCCO1 ZINC000819436882 675290494 /nfs/dbraw/zinc/29/04/94/675290494.db2.gz GTJRTAARYPZYFO-HOTGVXAUSA-N 1 2 351.422 2.002 20 30 FEEDLO CCNS(=O)(=O)[C@H]1CC[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000567529996 675300296 /nfs/dbraw/zinc/30/02/96/675300296.db2.gz SXYJVQNZFLUIDH-ZDUSSCGKSA-N 1 2 361.389 2.091 20 30 FEEDLO CCNS(=O)(=O)[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000567529996 675300297 /nfs/dbraw/zinc/30/02/97/675300297.db2.gz SXYJVQNZFLUIDH-ZDUSSCGKSA-N 1 2 361.389 2.091 20 30 FEEDLO C[N@@H+]1CCO[C@H]([C@@H](NC(=O)NCC2(C#N)CC2)c2ccc(Cl)cc2)C1 ZINC000567668601 675310645 /nfs/dbraw/zinc/31/06/45/675310645.db2.gz NZBFMQYROGQJRT-HOTGVXAUSA-N 1 2 362.861 2.315 20 30 FEEDLO C[N@H+]1CCO[C@H]([C@@H](NC(=O)NCC2(C#N)CC2)c2ccc(Cl)cc2)C1 ZINC000567668601 675310647 /nfs/dbraw/zinc/31/06/47/675310647.db2.gz NZBFMQYROGQJRT-HOTGVXAUSA-N 1 2 362.861 2.315 20 30 FEEDLO C[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)C[C@@](C)(O)c1ccccc1 ZINC000823607024 675562843 /nfs/dbraw/zinc/56/28/43/675562843.db2.gz XUPCLCMSDSBMII-LJQANCHMSA-N 1 2 358.463 2.171 20 30 FEEDLO C[N@@H+](CCS(=O)(=O)c1cccc(C#N)c1)C[C@@](C)(O)c1ccccc1 ZINC000823607024 675562847 /nfs/dbraw/zinc/56/28/47/675562847.db2.gz XUPCLCMSDSBMII-LJQANCHMSA-N 1 2 358.463 2.171 20 30 FEEDLO CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)c1 ZINC000824658740 675615344 /nfs/dbraw/zinc/61/53/44/675615344.db2.gz PCVXKHACVVBDGO-INIZCTEOSA-N 1 2 362.495 2.086 20 30 FEEDLO CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)c1 ZINC000824658740 675615346 /nfs/dbraw/zinc/61/53/46/675615346.db2.gz PCVXKHACVVBDGO-INIZCTEOSA-N 1 2 362.495 2.086 20 30 FEEDLO CC#CC[C@H](CO)NC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000646183540 677280591 /nfs/dbraw/zinc/28/05/91/677280591.db2.gz ILYCAQCORWVMFN-UONOGXRCSA-N 1 2 350.488 2.271 20 30 FEEDLO CC#CC[C@H](CO)NC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000646183540 677280592 /nfs/dbraw/zinc/28/05/92/677280592.db2.gz ILYCAQCORWVMFN-UONOGXRCSA-N 1 2 350.488 2.271 20 30 FEEDLO C=CC[C@@H]1CC[C@@H](Nc2ccc(N3CCN(S(C)(=O)=O)CC3)[nH+]c2)C1 ZINC000651754620 677449604 /nfs/dbraw/zinc/44/96/04/677449604.db2.gz JJQCDCYMSDBTEJ-HZPDHXFCSA-N 1 2 364.515 2.320 20 30 FEEDLO C#C[C@H](NC(=O)NCCc1cn(C)c[nH+]1)c1ccc(Br)cc1 ZINC000838744544 680716839 /nfs/dbraw/zinc/71/68/39/680716839.db2.gz LUOIWXQYHXSPQG-HNNXBMFYSA-N 1 2 361.243 2.399 20 30 FEEDLO C#CC[C@H](NCc1c[nH+]c2c(C)cc(Br)cn12)C(=O)OC ZINC000839168626 680742700 /nfs/dbraw/zinc/74/27/00/680742700.db2.gz MATGOQDYCOYNCS-ZDUSSCGKSA-N 1 2 350.216 2.060 20 30 FEEDLO COc1ccc(Cl)cc1CNC(=O)CO[NH+]=C(N)c1ccc(F)cc1 ZINC000762663326 680757596 /nfs/dbraw/zinc/75/75/96/680757596.db2.gz DKXMLCFDXPJGNU-UHFFFAOYSA-N 1 2 365.792 2.441 20 30 FEEDLO C#CCCCS(=O)(=O)Nc1cccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000840946837 680855690 /nfs/dbraw/zinc/85/56/90/680855690.db2.gz PLPJQTFBNQHHMU-HOTGVXAUSA-N 1 2 350.484 2.451 20 30 FEEDLO C=C(Cl)C(C)(C)C(=O)N1CC[C@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)[C@H]2C1 ZINC000975722703 680082900 /nfs/dbraw/zinc/08/29/00/680082900.db2.gz BDWXAWNLEZGMCV-KBPBESRZSA-N 1 2 364.877 2.180 20 30 FEEDLO CS(=O)(=O)CC[NH+]1CCC(Nc2nc3ccccc3cc2C#N)CC1 ZINC000750029266 680097006 /nfs/dbraw/zinc/09/70/06/680097006.db2.gz LSSPUTDVRNZBGN-UHFFFAOYSA-N 1 2 358.467 2.027 20 30 FEEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCN(C(=O)OC(C)(C)C)C(C)(C)C1 ZINC000832697573 680166929 /nfs/dbraw/zinc/16/69/29/680166929.db2.gz DJJRKLPVNNUZHU-AWEZNQCLSA-N 1 2 352.479 2.078 20 30 FEEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCN(C(=O)OC(C)(C)C)C(C)(C)C1 ZINC000832697573 680166932 /nfs/dbraw/zinc/16/69/32/680166932.db2.gz DJJRKLPVNNUZHU-AWEZNQCLSA-N 1 2 352.479 2.078 20 30 FEEDLO N#Cc1c(NCc2ccccc2-n2cc[nH+]c2)cccc1S(N)(=O)=O ZINC000755020177 680394679 /nfs/dbraw/zinc/39/46/79/680394679.db2.gz PLUNRPOMCPPHSP-UHFFFAOYSA-N 1 2 353.407 2.003 20 30 FEEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C1 ZINC001034271521 680432688 /nfs/dbraw/zinc/43/26/88/680432688.db2.gz OJCUXSDTEHUKHQ-XQQFMLRXSA-N 1 2 370.799 2.056 20 30 FEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C1 ZINC001034271521 680432690 /nfs/dbraw/zinc/43/26/90/680432690.db2.gz OJCUXSDTEHUKHQ-XQQFMLRXSA-N 1 2 370.799 2.056 20 30 FEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2F)C1 ZINC001035448329 680447034 /nfs/dbraw/zinc/44/70/34/680447034.db2.gz ADNAYTCTRZMTMK-HYVNUMGLSA-N 1 2 350.409 2.461 20 30 FEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2F)C1 ZINC001035448329 680447037 /nfs/dbraw/zinc/44/70/37/680447037.db2.gz ADNAYTCTRZMTMK-HYVNUMGLSA-N 1 2 350.409 2.461 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1C[NH+](CCc2ccc(F)c(F)c2)C1 ZINC001043922651 680603144 /nfs/dbraw/zinc/60/31/44/680603144.db2.gz GVZLJRPXUNPNHA-QAPCUYQASA-N 1 2 350.409 2.241 20 30 FEEDLO N#Cc1nc(N[C@@H]2CCCC[C@H]2NC(=O)Cc2c[nH]c[nH+]2)sc1Cl ZINC001045782268 680640465 /nfs/dbraw/zinc/64/04/65/680640465.db2.gz SYWVBXDELSIXTB-GHMZBOCLSA-N 1 2 364.862 2.473 20 30 FEEDLO C=C(Br)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 ZINC001046498024 680649469 /nfs/dbraw/zinc/64/94/69/680649469.db2.gz GFXMBQBXBZLWME-AYDFFVQHSA-N 1 2 357.292 2.291 20 30 FEEDLO C=C(Br)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 ZINC001046498024 680649473 /nfs/dbraw/zinc/64/94/73/680649473.db2.gz GFXMBQBXBZLWME-AYDFFVQHSA-N 1 2 357.292 2.291 20 30 FEEDLO Cc1nsc(N[C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)c1C#N ZINC001046647528 680652649 /nfs/dbraw/zinc/65/26/49/680652649.db2.gz TYPMAKKIILIVQI-YVECIDJPSA-N 1 2 356.455 2.157 20 30 FEEDLO Cc1nsc(N[C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)c1C#N ZINC001046647528 680652652 /nfs/dbraw/zinc/65/26/52/680652652.db2.gz TYPMAKKIILIVQI-YVECIDJPSA-N 1 2 356.455 2.157 20 30 FEEDLO N#Cc1ccc(N2CC[NH+](CCCNC(=O)C(F)(F)F)CC2)c(Cl)c1 ZINC000769920760 681000781 /nfs/dbraw/zinc/00/07/81/681000781.db2.gz LXVDGNNDTBPMKH-UHFFFAOYSA-N 1 2 374.794 2.402 20 30 FEEDLO CCc1nc(NC(=O)C[N@H+](C)C[C@H](O)c2cccc(C#N)c2)sc1C ZINC000844366003 681054263 /nfs/dbraw/zinc/05/42/63/681054263.db2.gz KQSDSJXERQGVRF-INIZCTEOSA-N 1 2 358.467 2.490 20 30 FEEDLO CCc1nc(NC(=O)C[N@@H+](C)C[C@H](O)c2cccc(C#N)c2)sc1C ZINC000844366003 681054266 /nfs/dbraw/zinc/05/42/66/681054266.db2.gz KQSDSJXERQGVRF-INIZCTEOSA-N 1 2 358.467 2.490 20 30 FEEDLO C[N@H+](CCCS(=O)(=O)c1ccccc1)C[C@@H](O)c1cccc(C#N)c1 ZINC000844370726 681054636 /nfs/dbraw/zinc/05/46/36/681054636.db2.gz SWCJBDPIWPGOAM-LJQANCHMSA-N 1 2 358.463 2.387 20 30 FEEDLO C[N@@H+](CCCS(=O)(=O)c1ccccc1)C[C@@H](O)c1cccc(C#N)c1 ZINC000844370726 681054637 /nfs/dbraw/zinc/05/46/37/681054637.db2.gz SWCJBDPIWPGOAM-LJQANCHMSA-N 1 2 358.463 2.387 20 30 FEEDLO C[C@H]1C[N@H+](CCOC(=O)Cc2ccc(Br)cc2C#N)CCO1 ZINC000845330783 681118788 /nfs/dbraw/zinc/11/87/88/681118788.db2.gz RNAIIEDOGMGWRX-LBPRGKRZSA-N 1 2 367.243 2.127 20 30 FEEDLO C[C@H]1C[N@@H+](CCOC(=O)Cc2ccc(Br)cc2C#N)CCO1 ZINC000845330783 681118789 /nfs/dbraw/zinc/11/87/89/681118789.db2.gz RNAIIEDOGMGWRX-LBPRGKRZSA-N 1 2 367.243 2.127 20 30 FEEDLO COc1ncc(NC(=O)N2CC[NH+](Cc3cccs3)CC2)cc1C#N ZINC000932508579 681258784 /nfs/dbraw/zinc/25/87/84/681258784.db2.gz SHGPULOZWDMWDJ-UHFFFAOYSA-N 1 2 357.439 2.373 20 30 FEEDLO O=C1OCC[C@@H]1[NH+]1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932944152 681332392 /nfs/dbraw/zinc/33/23/92/681332392.db2.gz RQRWVJRTJAZQGF-ACZMJKKPSA-N 1 2 353.209 2.405 20 30 FEEDLO C[N@@H+](Cc1cc(C#N)cs1)C[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000933778576 681467523 /nfs/dbraw/zinc/46/75/23/681467523.db2.gz RJKPBCDNNZGWTG-MRXNPFEDSA-N 1 2 350.465 2.189 20 30 FEEDLO C[N@H+](Cc1cc(C#N)cs1)C[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000933778576 681467526 /nfs/dbraw/zinc/46/75/26/681467526.db2.gz RJKPBCDNNZGWTG-MRXNPFEDSA-N 1 2 350.465 2.189 20 30 FEEDLO CCS(=O)(=O)c1c(Cl)cccc1C=NNCCCn1cc[nH+]c1 ZINC000848417093 681536974 /nfs/dbraw/zinc/53/69/74/681536974.db2.gz KKPMLOOYEBVYSR-UHFFFAOYSA-N 1 2 354.863 2.344 20 30 FEEDLO Brc1cc(C=NNCCCn2cc[nH+]c2)cc2c1OCO2 ZINC000848418798 681537383 /nfs/dbraw/zinc/53/73/83/681537383.db2.gz NJXNEUWZKVLDRF-UHFFFAOYSA-N 1 2 351.204 2.388 20 30 FEEDLO CN(C)[S@](C)(=O)=NCC1CC[NH+](Cc2cccc(F)c2C#N)CC1 ZINC000934752037 681622018 /nfs/dbraw/zinc/62/20/18/681622018.db2.gz MXLCTMBPUVNIJO-XMMPIXPASA-N 1 2 352.479 2.484 20 30 FEEDLO Cc1cc(C#N)cc(C)c1CS(=O)(=O)NC[C@H]1CCn2cc[nH+]c2C1 ZINC000914403262 685506939 /nfs/dbraw/zinc/50/69/39/685506939.db2.gz DGWHJULRVJSSCX-HNNXBMFYSA-N 1 2 358.467 2.054 20 30 FEEDLO NC(=[NH+]OCc1nnnn1-c1ccccc1)c1ccc(Br)cc1 ZINC000782947519 682097143 /nfs/dbraw/zinc/09/71/43/682097143.db2.gz AKMMXYUCEKMARL-UHFFFAOYSA-N 1 2 373.214 2.262 20 30 FEEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[C@H]3c3ccc(C)s3)CC2)C1 ZINC000941600261 682138217 /nfs/dbraw/zinc/13/82/17/682138217.db2.gz ZOZVIQSCIVOAMN-QZTJIDSGSA-N 1 2 357.523 2.012 20 30 FEEDLO C#CCOCCNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000784391091 682222610 /nfs/dbraw/zinc/22/26/10/682222610.db2.gz VTSHZZMFTHBIBY-JKSUJKDBSA-N 1 2 353.825 2.173 20 30 FEEDLO C#CCOCCNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000784391091 682222612 /nfs/dbraw/zinc/22/26/12/682222612.db2.gz VTSHZZMFTHBIBY-JKSUJKDBSA-N 1 2 353.825 2.173 20 30 FEEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCC2=C(CCC(=O)N2)C1 ZINC000852299409 682256061 /nfs/dbraw/zinc/25/60/61/682256061.db2.gz RNQSASJKWZTMSU-LLVKDONJSA-N 1 2 358.829 2.408 20 30 FEEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCC2=C(CCC(=O)N2)C1 ZINC000852299409 682256062 /nfs/dbraw/zinc/25/60/62/682256062.db2.gz RNQSASJKWZTMSU-LLVKDONJSA-N 1 2 358.829 2.408 20 30 FEEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CC=CC[C@H]3C(F)(F)F)C2)C1 ZINC000972434491 682414714 /nfs/dbraw/zinc/41/47/14/682414714.db2.gz HEQNDBYFFQGVCC-INMHGKMJSA-N 1 2 356.388 2.068 20 30 FEEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CC=CC[C@H]3C(F)(F)F)C2)C1 ZINC000972434491 682414718 /nfs/dbraw/zinc/41/47/18/682414718.db2.gz HEQNDBYFFQGVCC-INMHGKMJSA-N 1 2 356.388 2.068 20 30 FEEDLO C=CC[N@H+](Cn1nc(C(=O)OC)c(Br)c1C)[C@@H](C)COC ZINC000853533055 682429343 /nfs/dbraw/zinc/42/93/43/682429343.db2.gz STPZLSYJUPNPQG-JTQLQIEISA-N 1 2 360.252 2.221 20 30 FEEDLO C=CC[N@@H+](Cn1nc(C(=O)OC)c(Br)c1C)[C@@H](C)COC ZINC000853533055 682429347 /nfs/dbraw/zinc/42/93/47/682429347.db2.gz STPZLSYJUPNPQG-JTQLQIEISA-N 1 2 360.252 2.221 20 30 FEEDLO CC(=NNc1[nH+]ccn1C)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000790299589 682666434 /nfs/dbraw/zinc/66/64/34/682666434.db2.gz FQLSHXHQIAHSEM-UHFFFAOYSA-N 1 2 361.471 2.431 20 30 FEEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](CCS(=O)(=O)C3CCCCC3)C2)nc1 ZINC000856744858 682803631 /nfs/dbraw/zinc/80/36/31/682803631.db2.gz WPAKRAWOIZSWTK-INIZCTEOSA-N 1 2 363.483 2.154 20 30 FEEDLO N#Cc1ccc(O[C@H]2CC[N@H+](CCS(=O)(=O)C3CCCCC3)C2)nc1 ZINC000856744858 682803639 /nfs/dbraw/zinc/80/36/39/682803639.db2.gz WPAKRAWOIZSWTK-INIZCTEOSA-N 1 2 363.483 2.154 20 30 FEEDLO CC[C@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)c1cccc(C#N)c1O ZINC000926695297 683162774 /nfs/dbraw/zinc/16/27/74/683162774.db2.gz ZPCVDAWYEVYGDJ-LBPRGKRZSA-N 1 2 350.362 2.282 20 30 FEEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000799180133 683433723 /nfs/dbraw/zinc/43/37/23/683433723.db2.gz OZUCHALYQJUFFA-KGLIPLIRSA-N 1 2 361.467 2.334 20 30 FEEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000799180133 683433724 /nfs/dbraw/zinc/43/37/24/683433724.db2.gz OZUCHALYQJUFFA-KGLIPLIRSA-N 1 2 361.467 2.334 20 30 FEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H](C)Cc1c(Cl)cccc1Cl ZINC000884330341 687849695 /nfs/dbraw/zinc/84/96/95/687849695.db2.gz LAYMVQOBGOYAGW-HZMBPMFUSA-N 1 2 359.253 2.487 20 30 FEEDLO N#Cc1cc(N2CC[NH+](Cc3cncs3)CC2)ncc1Br ZINC000894854415 689609526 /nfs/dbraw/zinc/60/95/26/689609526.db2.gz AUSGSMGRPGYSRM-UHFFFAOYSA-N 1 2 364.272 2.494 20 30 FEEDLO C[C@H]1CN(S(=O)(=O)c2ccsc2C#N)c2cc(F)ccc2C[NH2+]1 ZINC000903504114 690903335 /nfs/dbraw/zinc/90/33/35/690903335.db2.gz RINIJVZLGIOOJE-JTQLQIEISA-N 1 2 351.428 2.446 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H]2c3ccccc3CC[C@H]2F)nc1 ZINC000905452622 691120671 /nfs/dbraw/zinc/12/06/71/691120671.db2.gz MGFCGDPQRGLCFO-AEFFLSMTSA-N 1 2 359.426 2.342 20 30 FEEDLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1cc(Cl)ncc1C#N)C2 ZINC001165010260 721695200 /nfs/dbraw/zinc/69/52/00/721695200.db2.gz VBASGWLIANMPIM-UHFFFAOYSA-N 1 2 359.865 2.449 20 30 FEEDLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1cc(Cl)ncc1C#N)C2 ZINC001165010260 721695201 /nfs/dbraw/zinc/69/52/01/721695201.db2.gz VBASGWLIANMPIM-UHFFFAOYSA-N 1 2 359.865 2.449 20 30 FEEDLO N#Cc1cc(C(F)(F)N2CC[NH+](C[C@H]3CCCO3)CC2)cc(Cl)n1 ZINC001165038004 721908892 /nfs/dbraw/zinc/90/88/92/721908892.db2.gz IPJFSMNRMFZLKU-CQSZACIVSA-N 1 2 356.804 2.453 20 30 FEEDLO Cc1c(C#N)c(NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)nc2ccccc12 ZINC000528128255 829270688 /nfs/dbraw/zinc/27/06/88/829270688.db2.gz FAVBEIIJBRRAKV-OAQYLSRUSA-N 1 2 366.465 2.443 20 30 FEEDLO Cc1c(C#N)c(NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)nc2ccccc12 ZINC000528128255 829270691 /nfs/dbraw/zinc/27/06/91/829270691.db2.gz FAVBEIIJBRRAKV-OAQYLSRUSA-N 1 2 366.465 2.443 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)COc3ccccc3C#N)CC2)cc1 ZINC000017843377 539643867 /nfs/dbraw/zinc/64/38/67/539643867.db2.gz NRWLDNAIIDBGOH-UHFFFAOYSA-N 1 2 360.417 2.153 20 30 FEEDLO Cn1cc[nH+]c1[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)c1ccccc1F ZINC000017522134 539642183 /nfs/dbraw/zinc/64/21/83/539642183.db2.gz CWCXQJHXPBENPK-KRWDZBQOSA-N 1 2 370.409 2.499 20 30 FEEDLO C=CCCc1ccccc1NC(=O)C(=O)Nc1nc(Cl)cc(NN)[nH+]1 ZINC000800633271 674066971 /nfs/dbraw/zinc/06/69/71/674066971.db2.gz PEQPFJAQXQYTBT-UHFFFAOYSA-N 1 2 360.805 2.111 20 30 FEEDLO Cc1ccc(NC(=O)CN(C)C(=O)C[N@H+](C)Cc2cccc(C#N)c2)cc1 ZINC000026324305 539782699 /nfs/dbraw/zinc/78/26/99/539782699.db2.gz VXFVZDIEVWJYIE-UHFFFAOYSA-N 1 2 364.449 2.396 20 30 FEEDLO Cc1ccc(NC(=O)CN(C)C(=O)C[N@@H+](C)Cc2cccc(C#N)c2)cc1 ZINC000026324305 539782701 /nfs/dbraw/zinc/78/27/01/539782701.db2.gz VXFVZDIEVWJYIE-UHFFFAOYSA-N 1 2 364.449 2.396 20 30 FEEDLO COc1cc2nc(C[N@H+](C)Cc3cccc(C#N)c3)[nH]c(=O)c2cc1OC ZINC000026325124 539783186 /nfs/dbraw/zinc/78/31/86/539783186.db2.gz KTEIBCFDZLICRH-UHFFFAOYSA-N 1 2 364.405 2.444 20 30 FEEDLO COc1cc2nc(C[N@@H+](C)Cc3cccc(C#N)c3)[nH]c(=O)c2cc1OC ZINC000026325124 539783188 /nfs/dbraw/zinc/78/31/88/539783188.db2.gz KTEIBCFDZLICRH-UHFFFAOYSA-N 1 2 364.405 2.444 20 30 FEEDLO CCNC(=O)c1cccc(NC(=O)C[N@H+](C)Cc2cccc(C#N)c2)c1 ZINC000026327073 539783850 /nfs/dbraw/zinc/78/38/50/539783850.db2.gz WMESHSIMJIGQAZ-UHFFFAOYSA-N 1 2 350.422 2.378 20 30 FEEDLO CCNC(=O)c1cccc(NC(=O)C[N@@H+](C)Cc2cccc(C#N)c2)c1 ZINC000026327073 539783853 /nfs/dbraw/zinc/78/38/53/539783853.db2.gz WMESHSIMJIGQAZ-UHFFFAOYSA-N 1 2 350.422 2.378 20 30 FEEDLO C[C@H]1CCCCN1C(=O)C[NH+]1CCN(Cc2ccc(C#N)cc2F)CC1 ZINC000029682323 539860484 /nfs/dbraw/zinc/86/04/84/539860484.db2.gz WMZJDHZUTHXDME-INIZCTEOSA-N 1 2 358.461 2.216 20 30 FEEDLO CO/N=C/c1ccc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)cc1 ZINC000030229644 539876079 /nfs/dbraw/zinc/87/60/79/539876079.db2.gz SDBJUSUFCAICEC-KMUCBOENSA-N 1 2 367.449 2.470 20 30 FEEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)[C@H]2CCN(c3ccccc3)[C@@H]2C)c1C#N ZINC000530405785 539962806 /nfs/dbraw/zinc/96/28/06/539962806.db2.gz VRPGBSLJQGDPGS-ZBFHGGJFSA-N 1 2 366.469 2.287 20 30 FEEDLO Cc1oc(NC(=O)[C@@H](C)[NH+]2CCC(C(=O)N3CCCC3)CC2)c(C#N)c1C ZINC000042566478 540066547 /nfs/dbraw/zinc/06/65/47/540066547.db2.gz GIOIPYNPBRCXOI-CQSZACIVSA-N 1 2 372.469 2.430 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(CC(=O)NCc3ccc(F)cc3)CC2)cc1 ZINC000045314308 540209659 /nfs/dbraw/zinc/20/96/59/540209659.db2.gz PVZGKXFPOLMVRI-UHFFFAOYSA-N 1 2 366.440 2.131 20 30 FEEDLO C[C@@H]1CCCC[C@H]1NC(=O)CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000045314521 540209757 /nfs/dbraw/zinc/20/97/57/540209757.db2.gz ZOPZVVQKHXAMOM-YLJYHZDGSA-N 1 2 354.498 2.371 20 30 FEEDLO O=C(NCC#Cc1ccccc1)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000045863998 540231908 /nfs/dbraw/zinc/23/19/08/540231908.db2.gz VCXQCAOBMDHOSP-NRFANRHFSA-N 1 2 363.461 2.411 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCCc3nccs3)CC2)cc1 ZINC000051338291 540430843 /nfs/dbraw/zinc/43/08/43/540430843.db2.gz FADLKSAZILEOEA-UHFFFAOYSA-N 1 2 355.467 2.085 20 30 FEEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH+]1CCC(C#N)CC1 ZINC000060893382 541123335 /nfs/dbraw/zinc/12/33/35/541123335.db2.gz FFHCZKCBGPOWRD-UHFFFAOYSA-N 1 2 357.458 2.187 20 30 FEEDLO N#Cc1ccnc(N2CCN(C(=O)c3ccc(Cn4cc[nH+]c4)cc3)CC2)c1 ZINC000060614208 541118988 /nfs/dbraw/zinc/11/89/88/541118988.db2.gz HAVIOAUXQDRWOX-UHFFFAOYSA-N 1 2 372.432 2.160 20 30 FEEDLO Cc1cc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)c2ccccc2n1 ZINC000060634080 541119781 /nfs/dbraw/zinc/11/97/81/541119781.db2.gz OUTJJLDCZOPWFO-UHFFFAOYSA-N 1 2 352.438 2.231 20 30 FEEDLO N#Cc1cnn(-c2ccc(C(=O)NCC[NH+]3Cc4ccccc4C3)cc2)c1N ZINC000066241121 541294750 /nfs/dbraw/zinc/29/47/50/541294750.db2.gz BUOOSLAAYKTHDZ-UHFFFAOYSA-N 1 2 372.432 2.072 20 30 FEEDLO CCOc1ccc(Br)cc1C[N@H+](CC(=O)NCC#N)C1CC1 ZINC000066532690 541332471 /nfs/dbraw/zinc/33/24/71/541332471.db2.gz XUUPBWQJWHCOOW-UHFFFAOYSA-N 1 2 366.259 2.452 20 30 FEEDLO CCOc1ccc(Br)cc1C[N@@H+](CC(=O)NCC#N)C1CC1 ZINC000066532690 541332475 /nfs/dbraw/zinc/33/24/75/541332475.db2.gz XUUPBWQJWHCOOW-UHFFFAOYSA-N 1 2 366.259 2.452 20 30 FEEDLO Cc1nc(-c2ccco2)ccc1C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000066644429 541354044 /nfs/dbraw/zinc/35/40/44/541354044.db2.gz BWAVQNRYDJRNSL-UHFFFAOYSA-N 1 2 368.437 2.338 20 30 FEEDLO Cn1ncc2c1nc[nH+]c2N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000068769052 541625997 /nfs/dbraw/zinc/62/59/97/541625997.db2.gz LEJKMQOEEINJMY-CYBMUJFWSA-N 1 2 351.389 2.455 20 30 FEEDLO N#CCOc1ccc(CNC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000069317979 541677509 /nfs/dbraw/zinc/67/75/09/541677509.db2.gz SMXXAGYROWUNGR-UHFFFAOYSA-N 1 2 351.410 2.016 20 30 FEEDLO Cc1ccc(C#N)cc1NC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000069606424 541699064 /nfs/dbraw/zinc/69/90/64/541699064.db2.gz ZANUPEWPUUCYFH-SFHVURJKSA-N 1 2 360.483 2.196 20 30 FEEDLO Cc1nn(C)c(C)c1[C@H](C)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000069977394 541729437 /nfs/dbraw/zinc/72/94/37/541729437.db2.gz OFNVWYINPDLUKJ-HNNXBMFYSA-N 1 2 365.481 2.357 20 30 FEEDLO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000075673489 542197194 /nfs/dbraw/zinc/19/71/94/542197194.db2.gz NECZMLMLTRQUMF-INIZCTEOSA-N 1 2 353.426 2.441 20 30 FEEDLO CCN(CC)C(=O)[C@@H]1CCC[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000075673489 542197198 /nfs/dbraw/zinc/19/71/98/542197198.db2.gz NECZMLMLTRQUMF-INIZCTEOSA-N 1 2 353.426 2.441 20 30 FEEDLO C=CCNC(=O)NC(=O)CN1CC[NH+]([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000075863323 542211165 /nfs/dbraw/zinc/21/11/65/542211165.db2.gz PDTWDKMMUSVRBY-AWEZNQCLSA-N 1 2 364.877 2.030 20 30 FEEDLO COc1ccccc1C[NH+]1CCN([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000076343302 542265891 /nfs/dbraw/zinc/26/58/91/542265891.db2.gz UHMDXIACCYAFRF-UWJYYQICSA-N 1 2 372.513 2.256 20 30 FEEDLO CCN(C[C@H](C)C#N)C(=O)CN1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000076606130 542300730 /nfs/dbraw/zinc/30/07/30/542300730.db2.gz KPCFYZHBVOZHPH-MRXNPFEDSA-N 1 2 362.905 2.466 20 30 FEEDLO CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCN(Cc2cccc(Cl)c2)CC1 ZINC000076606130 542300735 /nfs/dbraw/zinc/30/07/35/542300735.db2.gz KPCFYZHBVOZHPH-MRXNPFEDSA-N 1 2 362.905 2.466 20 30 FEEDLO C[N@@H+](Cc1nccn1C(F)F)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000076647774 542305027 /nfs/dbraw/zinc/30/50/27/542305027.db2.gz WTKHYZPPJFBHMI-CQSZACIVSA-N 1 2 350.369 2.216 20 30 FEEDLO C[N@H+](Cc1nccn1C(F)F)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000076647774 542305033 /nfs/dbraw/zinc/30/50/33/542305033.db2.gz WTKHYZPPJFBHMI-CQSZACIVSA-N 1 2 350.369 2.216 20 30 FEEDLO COc1cc2c(cc1OC)[C@H](c1ccccc1)[N@H+](CC(=O)NCC#N)CC2 ZINC000076667965 542309351 /nfs/dbraw/zinc/30/93/51/542309351.db2.gz LWETZDFELJBJOS-NRFANRHFSA-N 1 2 365.433 2.291 20 30 FEEDLO COc1cc2c(cc1OC)[C@H](c1ccccc1)[N@@H+](CC(=O)NCC#N)CC2 ZINC000076667965 542309354 /nfs/dbraw/zinc/30/93/54/542309354.db2.gz LWETZDFELJBJOS-NRFANRHFSA-N 1 2 365.433 2.291 20 30 FEEDLO N#Cc1ccc(NCCCCN2CC[NH+](CCO)CC2)c(C(F)(F)F)c1 ZINC000077978674 542434363 /nfs/dbraw/zinc/43/43/63/542434363.db2.gz QGHCOLZYPJTENA-UHFFFAOYSA-N 1 2 370.419 2.379 20 30 FEEDLO CCOc1cc(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)ccc1C ZINC000078546486 542467148 /nfs/dbraw/zinc/46/71/48/542467148.db2.gz VIPMIXQPPCYUNY-UHFFFAOYSA-N 1 2 360.458 2.474 20 30 FEEDLO C[C@H](C#N)OCC[NH+]1CCC(O)(c2scnc2Br)CC1 ZINC000801952573 674156830 /nfs/dbraw/zinc/15/68/30/674156830.db2.gz ATEZZBJASLBCBT-SNVBAGLBSA-N 1 2 360.277 2.118 20 30 FEEDLO C[C@@H](CCc1ccccc1F)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000079844591 542545181 /nfs/dbraw/zinc/54/51/81/542545181.db2.gz YNABTURKELBWPK-KRWDZBQOSA-N 1 2 361.461 2.469 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Nc1ccc(F)c(F)c1F ZINC000080162195 542570041 /nfs/dbraw/zinc/57/00/41/542570041.db2.gz CUMNBPMNHHWZMG-UHFFFAOYSA-N 1 2 356.348 2.184 20 30 FEEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](CC(=O)NC(C2CC2)C2CC2)CC1 ZINC000080906410 542613257 /nfs/dbraw/zinc/61/32/57/542613257.db2.gz ZZWCHKJGUYCGCD-IBGZPJMESA-N 1 2 352.482 2.174 20 30 FEEDLO N#Cc1ccsc1N1CC[C@@H](N2CC[NH+](Cc3ccco3)CC2)C1=O ZINC000083132538 542691869 /nfs/dbraw/zinc/69/18/69/542691869.db2.gz CMPJRZFZAWHYPE-MRXNPFEDSA-N 1 2 356.451 2.136 20 30 FEEDLO C=CC[N@@H+](Cc1ccc(OC)c(OC(F)F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361333 542859605 /nfs/dbraw/zinc/85/96/05/542859605.db2.gz SNJBWPRUBRRGSY-CYBMUJFWSA-N 1 2 361.410 2.472 20 30 FEEDLO C=CC[N@H+](Cc1ccc(OC)c(OC(F)F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361333 542859607 /nfs/dbraw/zinc/85/96/07/542859607.db2.gz SNJBWPRUBRRGSY-CYBMUJFWSA-N 1 2 361.410 2.472 20 30 FEEDLO C=CC[N@@H+](Cc1cc(Br)ccc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000092360941 542859990 /nfs/dbraw/zinc/85/99/90/542859990.db2.gz FHBPHVWBNUNPOG-CYBMUJFWSA-N 1 2 360.273 2.330 20 30 FEEDLO C=CC[N@H+](Cc1cc(Br)ccc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000092360941 542859993 /nfs/dbraw/zinc/85/99/93/542859993.db2.gz FHBPHVWBNUNPOG-CYBMUJFWSA-N 1 2 360.273 2.330 20 30 FEEDLO COc1cc(C#N)ccc1OCC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000097676705 543014745 /nfs/dbraw/zinc/01/47/45/543014745.db2.gz GAMGTMPLETUYSA-UHFFFAOYSA-N 1 2 362.389 2.448 20 30 FEEDLO CCCC(=O)N[C@@H]1CCC[N@@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000101564103 543033641 /nfs/dbraw/zinc/03/36/41/543033641.db2.gz QRNSSIYRBWFGQR-SJLPKXTDSA-N 1 2 354.454 2.044 20 30 FEEDLO CCCC(=O)N[C@@H]1CCC[N@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000101564103 543033643 /nfs/dbraw/zinc/03/36/43/543033643.db2.gz QRNSSIYRBWFGQR-SJLPKXTDSA-N 1 2 354.454 2.044 20 30 FEEDLO C[C@@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN(Cc3ccc(F)cc3C#N)CC2)C1 ZINC000103139268 543094242 /nfs/dbraw/zinc/09/42/42/543094242.db2.gz NPVVDIHRHCJYEN-CALCHBBNSA-N 1 2 372.488 2.319 20 30 FEEDLO N#Cc1c(C[N@H+]2CCC[C@H]2C(=O)N2CCSCC2)cn2ccccc12 ZINC000104090866 543122740 /nfs/dbraw/zinc/12/27/40/543122740.db2.gz RZBWHFDOPCJIAB-SFHVURJKSA-N 1 2 354.479 2.351 20 30 FEEDLO N#Cc1c(C[N@@H+]2CCC[C@H]2C(=O)N2CCSCC2)cn2ccccc12 ZINC000104090866 543122742 /nfs/dbraw/zinc/12/27/42/543122742.db2.gz RZBWHFDOPCJIAB-SFHVURJKSA-N 1 2 354.479 2.351 20 30 FEEDLO CC1(C)C(=O)NCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000104072830 543121994 /nfs/dbraw/zinc/12/19/94/543121994.db2.gz QRXYVKFHDTUFTL-UHFFFAOYSA-N 1 2 374.510 2.428 20 30 FEEDLO CC1(C)C(=O)NCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000104072830 543121997 /nfs/dbraw/zinc/12/19/97/543121997.db2.gz QRXYVKFHDTUFTL-UHFFFAOYSA-N 1 2 374.510 2.428 20 30 FEEDLO CNC(=O)C1CC[NH+](CC(=O)Nc2ccccc2S[C@H](C)CC#N)CC1 ZINC000108357506 543287523 /nfs/dbraw/zinc/28/75/23/543287523.db2.gz BDPDUHAVFKSJAO-CQSZACIVSA-N 1 2 374.510 2.477 20 30 FEEDLO C=CC[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000108870485 543306775 /nfs/dbraw/zinc/30/67/75/543306775.db2.gz HDHZWCASXPVPGV-OAHLLOKOSA-N 1 2 354.428 2.039 20 30 FEEDLO C=CC[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000108870485 543306776 /nfs/dbraw/zinc/30/67/76/543306776.db2.gz HDHZWCASXPVPGV-OAHLLOKOSA-N 1 2 354.428 2.039 20 30 FEEDLO N#Cc1cccnc1N1CCCN(c2cc(N3CCCCC3)[nH+]cn2)CC1 ZINC000110273104 543354200 /nfs/dbraw/zinc/35/42/00/543354200.db2.gz GFIGLRBPHGMKQC-UHFFFAOYSA-N 1 2 363.469 2.450 20 30 FEEDLO N#Cc1cccnc1N1CCCN(c2cc(N3CCCCC3)nc[nH+]2)CC1 ZINC000110273104 543354202 /nfs/dbraw/zinc/35/42/02/543354202.db2.gz GFIGLRBPHGMKQC-UHFFFAOYSA-N 1 2 363.469 2.450 20 30 FEEDLO N#Cc1ccc(NC(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)nc1 ZINC000110287649 543354221 /nfs/dbraw/zinc/35/42/21/543354221.db2.gz QVIAWRXIQZKVJU-UHFFFAOYSA-N 1 2 360.377 2.431 20 30 FEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+](C)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000112360391 543444221 /nfs/dbraw/zinc/44/42/21/543444221.db2.gz PNMVRKFLUIWVFX-CRAIPNDOSA-N 1 2 359.445 2.452 20 30 FEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](C)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000112360391 543444225 /nfs/dbraw/zinc/44/42/25/543444225.db2.gz PNMVRKFLUIWVFX-CRAIPNDOSA-N 1 2 359.445 2.452 20 30 FEEDLO O=S(=O)(NC1CC1)[C@H]1CC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000120746818 543684346 /nfs/dbraw/zinc/68/43/46/543684346.db2.gz BBNLSIIDJPWKQI-INIZCTEOSA-N 1 2 372.412 2.213 20 30 FEEDLO O=S(=O)(NC1CC1)[C@H]1CC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000120746818 543684349 /nfs/dbraw/zinc/68/43/49/543684349.db2.gz BBNLSIIDJPWKQI-INIZCTEOSA-N 1 2 372.412 2.213 20 30 FEEDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)Cc2ccc(OCC#N)cc2)C1 ZINC000120504289 543681034 /nfs/dbraw/zinc/68/10/34/543681034.db2.gz WOWDIGPZOBBZQD-QGZVFWFLSA-N 1 2 352.438 2.346 20 30 FEEDLO CCc1noc([C@H](C)O[NH+]=C(N)c2ccc(-n3nc(C)cc3C)nc2)n1 ZINC000123441887 543761968 /nfs/dbraw/zinc/76/19/68/543761968.db2.gz XFRIOFNZOCISDI-LBPRGKRZSA-N 1 2 355.402 2.228 20 30 FEEDLO C[NH+](C)[C@H](CNS(=O)(=O)c1c(F)cc(C#N)cc1F)c1cccs1 ZINC000124010284 543796435 /nfs/dbraw/zinc/79/64/35/543796435.db2.gz CZKLUKCZEDDGHX-CYBMUJFWSA-N 1 2 371.434 2.479 20 30 FEEDLO O=C(C[NH+]1CCN(CC#Cc2ccc(F)cc2)CC1)N1CCCCCC1 ZINC000127048736 543970140 /nfs/dbraw/zinc/97/01/40/543970140.db2.gz ABKCWYVRJUKBFX-UHFFFAOYSA-N 1 2 357.473 2.197 20 30 FEEDLO C[C@H]1CCN(C(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H]1n1cc[nH+]c1 ZINC000126599616 543946286 /nfs/dbraw/zinc/94/62/86/543946286.db2.gz OCPLCRKKZGWCTI-BLLLJJGKSA-N 1 2 371.828 2.456 20 30 FEEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000126700295 543952043 /nfs/dbraw/zinc/95/20/43/543952043.db2.gz VCBSPMAIIAQIHP-UHFFFAOYSA-N 1 2 359.445 2.174 20 30 FEEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000126700295 543952045 /nfs/dbraw/zinc/95/20/45/543952045.db2.gz VCBSPMAIIAQIHP-UHFFFAOYSA-N 1 2 359.445 2.174 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000126712533 543952507 /nfs/dbraw/zinc/95/25/07/543952507.db2.gz MLBTVGZOJBNZFN-FQEVSTJZSA-N 1 2 374.460 2.028 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000126712533 543952511 /nfs/dbraw/zinc/95/25/11/543952511.db2.gz MLBTVGZOJBNZFN-FQEVSTJZSA-N 1 2 374.460 2.028 20 30 FEEDLO NC(=NOCc1cccc(Cl)n1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000131327821 544186205 /nfs/dbraw/zinc/18/62/05/544186205.db2.gz NZPXTZOGSNEGDU-UHFFFAOYSA-N 1 2 360.845 2.404 20 30 FEEDLO C=CCCCCCN(C)c1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cn1 ZINC000131732615 544204422 /nfs/dbraw/zinc/20/44/22/544204422.db2.gz PPYWTEGPJYXEDD-UHFFFAOYSA-N 1 2 366.531 2.200 20 30 FEEDLO C=CCOc1ccc(C[NH+]2CCN(CC(=O)N3CCCCC3)CC2)cc1 ZINC000135082341 544333289 /nfs/dbraw/zinc/33/32/89/544333289.db2.gz CHIFRGRJACBJJJ-UHFFFAOYSA-N 1 2 357.498 2.382 20 30 FEEDLO C=CCOc1ccc(CN2CC[NH+](CC(=O)N3CCCCC3)CC2)cc1 ZINC000135082341 544333291 /nfs/dbraw/zinc/33/32/91/544333291.db2.gz CHIFRGRJACBJJJ-UHFFFAOYSA-N 1 2 357.498 2.382 20 30 FEEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCOC2(CCOCC2)C1 ZINC000135597421 544355565 /nfs/dbraw/zinc/35/55/65/544355565.db2.gz DMLCRYPVFZLWEO-ZDUSSCGKSA-N 1 2 363.845 2.420 20 30 FEEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCOC2(CCOCC2)C1 ZINC000135597421 544355567 /nfs/dbraw/zinc/35/55/67/544355567.db2.gz DMLCRYPVFZLWEO-ZDUSSCGKSA-N 1 2 363.845 2.420 20 30 FEEDLO C=CCNc1ncc(C(=O)NC[C@H](CC(C)C)[NH+]2CCOCC2)s1 ZINC000136117896 544366695 /nfs/dbraw/zinc/36/66/95/544366695.db2.gz DVXNYCZJVVDSLO-AWEZNQCLSA-N 1 2 352.504 2.218 20 30 FEEDLO C=CCCOCC(=O)N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000144354154 544427921 /nfs/dbraw/zinc/42/79/21/544427921.db2.gz MXQCIEBTCJTFGA-UHFFFAOYSA-N 1 2 352.862 2.456 20 30 FEEDLO C#CCOc1ccc(C(=O)NCc2ccc(N3CCO[C@H](C)C3)[nH+]c2)cc1 ZINC000151138821 544508982 /nfs/dbraw/zinc/50/89/82/544508982.db2.gz ZDKVUANWTZJPOD-MRXNPFEDSA-N 1 2 365.433 2.249 20 30 FEEDLO COCc1ccccc1CNC(=O)CO[NH+]=C(N)c1ccc(C)c(F)c1 ZINC000151220967 544518290 /nfs/dbraw/zinc/51/82/90/544518290.db2.gz BTNMBTTUYBGLCX-UHFFFAOYSA-N 1 2 359.401 2.234 20 30 FEEDLO C#CCNC(=O)[C@H](C)[N@H+](CC)CC(=O)Nc1ccccc1C(F)(F)F ZINC000152431464 544652521 /nfs/dbraw/zinc/65/25/21/544652521.db2.gz FHIKGAVSECFACC-LBPRGKRZSA-N 1 2 355.360 2.104 20 30 FEEDLO C#CCNC(=O)[C@H](C)[N@@H+](CC)CC(=O)Nc1ccccc1C(F)(F)F ZINC000152431464 544652526 /nfs/dbraw/zinc/65/25/26/544652526.db2.gz FHIKGAVSECFACC-LBPRGKRZSA-N 1 2 355.360 2.104 20 30 FEEDLO C=CCc1ccccc1OC[C@H](O)CN1CC[NH+](Cc2ccncc2)CC1 ZINC000153240935 544751042 /nfs/dbraw/zinc/75/10/42/544751042.db2.gz IVDMLSMIIKVLEE-OAQYLSRUSA-N 1 2 367.493 2.368 20 30 FEEDLO C[NH+](C)CCS(=O)(=O)c1ccccc1C(=O)Nc1ccc(CC#N)cc1 ZINC000154865934 544959277 /nfs/dbraw/zinc/95/92/77/544959277.db2.gz HBISQOPMTOPGEG-UHFFFAOYSA-N 1 2 371.462 2.340 20 30 FEEDLO Cn1cc(C[N@H+](C)CC(=O)NC2(C#N)CCCCC2)c(C(F)(F)F)n1 ZINC000155076200 544985547 /nfs/dbraw/zinc/98/55/47/544985547.db2.gz IVRBUDRSGQYQFB-UHFFFAOYSA-N 1 2 357.380 2.213 20 30 FEEDLO Cn1cc(C[N@@H+](C)CC(=O)NC2(C#N)CCCCC2)c(C(F)(F)F)n1 ZINC000155076200 544985551 /nfs/dbraw/zinc/98/55/51/544985551.db2.gz IVRBUDRSGQYQFB-UHFFFAOYSA-N 1 2 357.380 2.213 20 30 FEEDLO Cc1nsc(N2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)c1C#N ZINC000553249744 674248270 /nfs/dbraw/zinc/24/82/70/674248270.db2.gz WLHVGUMXUGZJCH-UHFFFAOYSA-N 1 2 356.451 2.417 20 30 FEEDLO N#Cc1ccccc1Oc1ccccc1C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000183428789 327817421 /nfs/dbraw/zinc/81/74/21/327817421.db2.gz KHPWPYDFNFLDAB-KRWDZBQOSA-N 1 2 362.433 2.080 20 30 FEEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000189711877 328163725 /nfs/dbraw/zinc/16/37/25/328163725.db2.gz WSJGHJMNQBKJKZ-CQSZACIVSA-N 1 2 364.453 2.308 20 30 FEEDLO N#Cc1ccc(C(=O)N2CC[NH+](CCOc3ccccc3)CC2)cc1O ZINC000189878166 328173269 /nfs/dbraw/zinc/17/32/69/328173269.db2.gz KNTHCWUGIHVMBT-UHFFFAOYSA-N 1 2 351.406 2.101 20 30 FEEDLO CCc1nnc(C2CC[NH+]([C@H](C)C(=O)Nc3cccc(C#N)c3)CC2)[nH]1 ZINC000190677334 328224251 /nfs/dbraw/zinc/22/42/51/328224251.db2.gz XCOGGGBLEVUIST-CYBMUJFWSA-N 1 2 352.442 2.445 20 30 FEEDLO CCc1n[nH]c(C2CC[NH+]([C@H](C)C(=O)Nc3cccc(C#N)c3)CC2)n1 ZINC000190677334 328224252 /nfs/dbraw/zinc/22/42/52/328224252.db2.gz XCOGGGBLEVUIST-CYBMUJFWSA-N 1 2 352.442 2.445 20 30 FEEDLO CCc1nnc(C2CC[NH+]([C@H]3CCN(c4ccc(C#N)cc4)C3=O)CC2)[nH]1 ZINC000190697348 328225535 /nfs/dbraw/zinc/22/55/35/328225535.db2.gz JXIYCCLJDHKOAV-KRWDZBQOSA-N 1 2 364.453 2.224 20 30 FEEDLO CCc1n[nH]c(C2CC[NH+]([C@H]3CCN(c4ccc(C#N)cc4)C3=O)CC2)n1 ZINC000190697348 328225536 /nfs/dbraw/zinc/22/55/36/328225536.db2.gz JXIYCCLJDHKOAV-KRWDZBQOSA-N 1 2 364.453 2.224 20 30 FEEDLO CCc1nc(C2CC[NH+]([C@H]3CCN(c4ccc(C#N)cc4)C3=O)CC2)n[nH]1 ZINC000190697348 328225537 /nfs/dbraw/zinc/22/55/37/328225537.db2.gz JXIYCCLJDHKOAV-KRWDZBQOSA-N 1 2 364.453 2.224 20 30 FEEDLO COCCN(C)c1ccc(CNc2cnn(-c3ncccc3C#N)c2)c[nH+]1 ZINC000191600514 328273431 /nfs/dbraw/zinc/27/34/31/328273431.db2.gz CFPHEXGVVOQAKN-UHFFFAOYSA-N 1 2 363.425 2.229 20 30 FEEDLO N#Cc1cc(C(=O)N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)ccn1 ZINC000195038206 328452724 /nfs/dbraw/zinc/45/27/24/328452724.db2.gz XIFJUPVZIURFJV-UHFFFAOYSA-N 1 2 370.840 2.443 20 30 FEEDLO CN(C)c1[nH+]cccc1N(C)S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000080280274 325127135 /nfs/dbraw/zinc/12/71/35/325127135.db2.gz KCAQABBPRLVNQU-UHFFFAOYSA-N 1 2 350.831 2.498 20 30 FEEDLO CNC(=O)Cc1nc(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)cs1 ZINC000081670985 325192372 /nfs/dbraw/zinc/19/23/72/325192372.db2.gz RTUVXXJOAAGQIC-UHFFFAOYSA-N 1 2 369.494 2.016 20 30 FEEDLO CNC(=O)Cc1nc(C[N@H+]2CCCN(c3ccccc3C#N)CC2)cs1 ZINC000081670985 325192375 /nfs/dbraw/zinc/19/23/75/325192375.db2.gz RTUVXXJOAAGQIC-UHFFFAOYSA-N 1 2 369.494 2.016 20 30 FEEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cc(-c2ccccc2)n[nH]1 ZINC000091936921 325398699 /nfs/dbraw/zinc/39/86/99/325398699.db2.gz GRWGFLWWCPRPEY-HNNXBMFYSA-N 1 2 359.437 2.449 20 30 FEEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cc(-c2ccccc2)n[nH]1 ZINC000091936921 325398700 /nfs/dbraw/zinc/39/87/00/325398700.db2.gz GRWGFLWWCPRPEY-HNNXBMFYSA-N 1 2 359.437 2.449 20 30 FEEDLO Cc1cccc2nc(C[NH+]3CCN(c4ccccc4C#N)CC3)cc(=O)n12 ZINC000101554809 325471641 /nfs/dbraw/zinc/47/16/41/325471641.db2.gz GCPJQBKEFQFPHL-UHFFFAOYSA-N 1 2 359.433 2.197 20 30 FEEDLO N#Cc1ccc(OCc2cccc(C(=O)NCC[NH+]3CCOCC3)c2)cc1 ZINC000115315830 325950412 /nfs/dbraw/zinc/95/04/12/325950412.db2.gz LYJRBOXOJQUXIL-UHFFFAOYSA-N 1 2 365.433 2.199 20 30 FEEDLO N#Cc1ccc(NC(=O)C(=O)NCc2ccccc2-n2cc[nH+]c2)c(F)c1 ZINC000136055034 326649545 /nfs/dbraw/zinc/64/95/45/326649545.db2.gz UODFYORJJCIHDB-UHFFFAOYSA-N 1 2 363.352 2.138 20 30 FEEDLO Cc1cccc(S(=O)(=O)NCc2ccc(N3CCCC3)[nH+]c2)c1C#N ZINC000156365760 326828555 /nfs/dbraw/zinc/82/85/55/326828555.db2.gz JPNISPSHUWFIJG-UHFFFAOYSA-N 1 2 356.451 2.340 20 30 FEEDLO C[C@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN(Cc3ccc(F)c(C#N)c3)CC2)C1 ZINC000160593247 326970844 /nfs/dbraw/zinc/97/08/44/326970844.db2.gz ZHUFZFQZEHLZCU-IRXDYDNUSA-N 1 2 372.488 2.319 20 30 FEEDLO Cc1cc(C#N)ccc1S(=O)(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000172676008 327214170 /nfs/dbraw/zinc/21/41/70/327214170.db2.gz MZTZWORDPHRZGZ-UHFFFAOYSA-N 1 2 358.467 2.471 20 30 FEEDLO Cc1[nH+]c2ccccc2n1CCNC(=O)C(=O)Nc1cccc(C)c1C#N ZINC000174649933 327341376 /nfs/dbraw/zinc/34/13/76/327341376.db2.gz JTXNCDNXBMPCJZ-UHFFFAOYSA-N 1 2 361.405 2.280 20 30 FEEDLO Cn1cc[nH+]c1-c1cccc(NC(=O)C(=O)NCc2ccc(C#N)cc2)c1 ZINC000176943503 327486615 /nfs/dbraw/zinc/48/66/15/327486615.db2.gz DYTYFBFLXYLEIQ-UHFFFAOYSA-N 1 2 359.389 2.214 20 30 FEEDLO N#Cc1c(F)cccc1N1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000178572280 327592908 /nfs/dbraw/zinc/59/29/08/327592908.db2.gz APFRHTPZILIHQO-IBGZPJMESA-N 1 2 370.384 2.461 20 30 FEEDLO Cc1ccc(C#N)cc1S(=O)(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000265138631 329095323 /nfs/dbraw/zinc/09/53/23/329095323.db2.gz PLXSGIYUPXWKOU-UHFFFAOYSA-N 1 2 356.451 2.340 20 30 FEEDLO Cc1oc(NC(=O)CN2CC[NH+]([C@@H](C)c3cccnc3)CC2)c(C#N)c1C ZINC000265533981 329136718 /nfs/dbraw/zinc/13/67/18/329136718.db2.gz VYJBIQSFZFJSJZ-HNNXBMFYSA-N 1 2 367.453 2.480 20 30 FEEDLO COC(=O)[C@@H](c1cccc(C#N)c1)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000267689417 329349910 /nfs/dbraw/zinc/34/99/10/329349910.db2.gz NSTNSWLOUDXAAP-OAQYLSRUSA-N 1 2 374.444 2.462 20 30 FEEDLO CCOc1ccc(NC(=O)C[NH+]2CCN(c3cccc(C#N)n3)CC2)cc1 ZINC000268863096 329462847 /nfs/dbraw/zinc/46/28/47/329462847.db2.gz RWVYBECQDQHMKQ-UHFFFAOYSA-N 1 2 365.437 2.113 20 30 FEEDLO CCO[C@H]1C[C@]([NH2+]CCC(=O)Nc2ccc(C#N)cc2)(C(=O)OC)C1(C)C ZINC000275568825 330064728 /nfs/dbraw/zinc/06/47/28/330064728.db2.gz OPPNZDBXIRFDJV-JXFKEZNVSA-N 1 2 373.453 2.223 20 30 FEEDLO CNC(=O)c1ccc([C@H]2CCCC[N@@H+]2CC(=O)NC2CCOCC2)n1C ZINC000328651964 521859784 /nfs/dbraw/zinc/85/97/84/521859784.db2.gz WFHABHQVIWVFEB-MRXNPFEDSA-N 1 2 362.474 2.047 20 30 FEEDLO CNC(=O)c1ccc([C@H]2CCCC[N@H+]2CC(=O)NC2CCOCC2)n1C ZINC000328651964 521859795 /nfs/dbraw/zinc/85/97/95/521859795.db2.gz WFHABHQVIWVFEB-MRXNPFEDSA-N 1 2 362.474 2.047 20 30 FEEDLO Cc1nc(CNC(=O)NC[C@@H]2C[C@H](F)C[N@@H+]2Cc2cccs2)no1 ZINC000328657041 526849407 /nfs/dbraw/zinc/84/94/07/526849407.db2.gz ZYDDJNUTMCTDTI-RYUDHWBXSA-N 1 2 353.423 2.056 20 30 FEEDLO Cc1nc(CNC(=O)NC[C@@H]2C[C@H](F)C[N@H+]2Cc2cccs2)no1 ZINC000328657041 526849412 /nfs/dbraw/zinc/84/94/12/526849412.db2.gz ZYDDJNUTMCTDTI-RYUDHWBXSA-N 1 2 353.423 2.056 20 30 FEEDLO Cc1sc(NC(=O)C[NH+]2CCC(Cn3ccnn3)CC2)c(C#N)c1C ZINC000156003458 545590697 /nfs/dbraw/zinc/59/06/97/545590697.db2.gz LIZALAVLJCDLFS-UHFFFAOYSA-N 1 2 358.471 2.179 20 30 FEEDLO O=C(CN1CCC[N@@H+](CC#Cc2cccc(Cl)c2)CC1)N1CCCC1 ZINC000156070229 545596100 /nfs/dbraw/zinc/59/61/00/545596100.db2.gz MQIVHMBEDKLIMR-UHFFFAOYSA-N 1 2 359.901 2.322 20 30 FEEDLO O=C(CN1CCC[N@H+](CC#Cc2cccc(Cl)c2)CC1)N1CCCC1 ZINC000156070229 545596104 /nfs/dbraw/zinc/59/61/04/545596104.db2.gz MQIVHMBEDKLIMR-UHFFFAOYSA-N 1 2 359.901 2.322 20 30 FEEDLO COC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2C(C)(C)C#N)[C@H]1C(=O)OC ZINC000156340184 545619047 /nfs/dbraw/zinc/61/90/47/545619047.db2.gz QYRLCPVRHLYTFV-NVXWUHKLSA-N 1 2 358.438 2.414 20 30 FEEDLO COC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2C(C)(C)C#N)[C@H]1C(=O)OC ZINC000156340184 545619049 /nfs/dbraw/zinc/61/90/49/545619049.db2.gz QYRLCPVRHLYTFV-NVXWUHKLSA-N 1 2 358.438 2.414 20 30 FEEDLO C[N@H+](Cc1cn(CCC#N)nc1-c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000157562600 545755495 /nfs/dbraw/zinc/75/54/95/545755495.db2.gz ZQAKLGPNCXQJDE-KRWDZBQOSA-N 1 2 358.467 2.083 20 30 FEEDLO C[N@@H+](Cc1cn(CCC#N)nc1-c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000157562600 545755499 /nfs/dbraw/zinc/75/54/99/545755499.db2.gz ZQAKLGPNCXQJDE-KRWDZBQOSA-N 1 2 358.467 2.083 20 30 FEEDLO Cc1c(F)cccc1NC(=O)CCN(CCC#N)CC[NH+]1CCOCC1 ZINC000478045647 561158855 /nfs/dbraw/zinc/15/88/55/561158855.db2.gz GZHJLZRIKPJQDZ-UHFFFAOYSA-N 1 2 362.449 2.011 20 30 FEEDLO Cc1c(F)cccc1NC(=O)CC[N@H+](CCC#N)CCN1CCOCC1 ZINC000478045647 561158856 /nfs/dbraw/zinc/15/88/56/561158856.db2.gz GZHJLZRIKPJQDZ-UHFFFAOYSA-N 1 2 362.449 2.011 20 30 FEEDLO Cc1c(F)cccc1NC(=O)CC[N@@H+](CCC#N)CCN1CCOCC1 ZINC000478045647 561158857 /nfs/dbraw/zinc/15/88/57/561158857.db2.gz GZHJLZRIKPJQDZ-UHFFFAOYSA-N 1 2 362.449 2.011 20 30 FEEDLO Cc1ccc(SCC(=O)N(CCC#N)CC[NH+]2CCOCC2)c(C)c1 ZINC000478231955 561162762 /nfs/dbraw/zinc/16/27/62/561162762.db2.gz HGZOBGPSZBAMQT-UHFFFAOYSA-N 1 2 361.511 2.470 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)CCSc1ccccc1F ZINC000478245351 561162943 /nfs/dbraw/zinc/16/29/43/561162943.db2.gz AKDYHOBZMNZZPR-UHFFFAOYSA-N 1 2 365.474 2.382 20 30 FEEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000174576616 546299445 /nfs/dbraw/zinc/29/94/45/546299445.db2.gz GSXIYAOBYBXXCP-FQEVSTJZSA-N 1 2 374.444 2.165 20 30 FEEDLO COc1cccc([C@H]([NH2+]CC(=O)NCC#N)c2cc(F)ccc2OC)c1 ZINC000175137122 546306936 /nfs/dbraw/zinc/30/69/36/546306936.db2.gz MUYCZXHFCSSRSD-IBGZPJMESA-N 1 2 357.385 2.162 20 30 FEEDLO COC(=O)[C@@H](NCC[N@@H+]1CCc2sccc2C1)c1cccc(C#N)c1 ZINC000176726880 546480598 /nfs/dbraw/zinc/48/05/98/546480598.db2.gz AMCOPXJTGPQXNO-SFHVURJKSA-N 1 2 355.463 2.482 20 30 FEEDLO COC(=O)[C@@H](NCC[N@H+]1CCc2sccc2C1)c1cccc(C#N)c1 ZINC000176726880 546480602 /nfs/dbraw/zinc/48/06/02/546480602.db2.gz AMCOPXJTGPQXNO-SFHVURJKSA-N 1 2 355.463 2.482 20 30 FEEDLO Cc1cc(C[NH+]2CCN(CC(=O)Nc3sc(C)c(C)c3C#N)CC2)on1 ZINC000177239671 546576752 /nfs/dbraw/zinc/57/67/52/546576752.db2.gz CDYLQCHJLMYWBS-UHFFFAOYSA-N 1 2 373.482 2.289 20 30 FEEDLO CC(C)CN(C(=O)CO[NH+]=C(N)c1ccc(N2CCCCC2)nc1)C1CC1 ZINC000177479241 546627893 /nfs/dbraw/zinc/62/78/93/546627893.db2.gz NVCKOSODKCWTBZ-UHFFFAOYSA-N 1 2 373.501 2.356 20 30 FEEDLO Cc1ccn2cc(CNS(=O)(=O)Cc3ccc(C#N)cc3F)[nH+]c2c1 ZINC000481015632 561222775 /nfs/dbraw/zinc/22/27/75/561222775.db2.gz RRTSEWDHIVQIOW-UHFFFAOYSA-N 1 2 358.398 2.273 20 30 FEEDLO N#Cc1ccc([C@H](C(N)=O)N2CCc3c([nH+]cn3-c3ccccc3)C2)cc1 ZINC000481268030 561229443 /nfs/dbraw/zinc/22/94/43/561229443.db2.gz IZAAHAXQQUFIDP-HXUWFJFHSA-N 1 2 357.417 2.329 20 30 FEEDLO Cc1ccc(C(=O)N2CC[NH+](C[C@@H](O)c3ccc(C#N)cc3)CC2)s1 ZINC000177997183 546720146 /nfs/dbraw/zinc/72/01/46/546720146.db2.gz MFZFUCAGNASPBV-QGZVFWFLSA-N 1 2 355.463 2.420 20 30 FEEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCc2n[nH]c(=O)cc2C1 ZINC000481321920 561230736 /nfs/dbraw/zinc/23/07/36/561230736.db2.gz YQOWOMILDRBEKN-ZDUSSCGKSA-N 1 2 369.400 2.015 20 30 FEEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCc2n[nH]c(=O)cc2C1 ZINC000481321920 561230737 /nfs/dbraw/zinc/23/07/37/561230737.db2.gz YQOWOMILDRBEKN-ZDUSSCGKSA-N 1 2 369.400 2.015 20 30 FEEDLO Cc1c(C#N)cccc1NC(=O)C(=O)NCCCCNc1cccc[nH+]1 ZINC000178485096 546801587 /nfs/dbraw/zinc/80/15/87/546801587.db2.gz ZPXHRGGMSZAMSG-UHFFFAOYSA-N 1 2 351.410 2.209 20 30 FEEDLO CCCc1cnc(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)s1 ZINC000180816770 547185465 /nfs/dbraw/zinc/18/54/65/547185465.db2.gz LJHITWQYWDJEHP-UHFFFAOYSA-N 1 2 351.476 2.175 20 30 FEEDLO C[C@H]1OCC[C@@H]1[N@H+](CCO)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000483279607 561272823 /nfs/dbraw/zinc/27/28/23/561272823.db2.gz RKFSDRBKEZWZDV-QAPCUYQASA-N 1 2 355.438 2.209 20 30 FEEDLO C[C@H]1OCC[C@@H]1[N@@H+](CCO)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000483279607 561272824 /nfs/dbraw/zinc/27/28/24/561272824.db2.gz RKFSDRBKEZWZDV-QAPCUYQASA-N 1 2 355.438 2.209 20 30 FEEDLO N#CC1(c2ccc(C(=O)NC[C@]3([NH+]4CCOCC4)CCSC3)cc2)CC1 ZINC000181470590 547320220 /nfs/dbraw/zinc/32/02/20/547320220.db2.gz ANYMRHRRAAHRGF-HXUWFJFHSA-N 1 2 371.506 2.179 20 30 FEEDLO C=CCOc1ccc(C[N@H+]2CC[C@@H](S(=O)(=O)NCC)C2)cc1Cl ZINC000181559307 547334664 /nfs/dbraw/zinc/33/46/64/547334664.db2.gz RARWDESVMBOGPJ-CQSZACIVSA-N 1 2 358.891 2.418 20 30 FEEDLO C=CCOc1ccc(C[N@@H+]2CC[C@@H](S(=O)(=O)NCC)C2)cc1Cl ZINC000181559307 547334670 /nfs/dbraw/zinc/33/46/70/547334670.db2.gz RARWDESVMBOGPJ-CQSZACIVSA-N 1 2 358.891 2.418 20 30 FEEDLO Cc1ccc(C[N@H+](C)CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)o1 ZINC000182669912 547530250 /nfs/dbraw/zinc/53/02/50/547530250.db2.gz WORQCFOEWKCFAA-QGZVFWFLSA-N 1 2 372.494 2.490 20 30 FEEDLO Cc1ccc(C[N@@H+](C)CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)o1 ZINC000182669912 547530253 /nfs/dbraw/zinc/53/02/53/547530253.db2.gz WORQCFOEWKCFAA-QGZVFWFLSA-N 1 2 372.494 2.490 20 30 FEEDLO COCCOc1ccc(C#N)cc1NC(=O)Cc1cn2ccccc2[nH+]1 ZINC000184448419 547829161 /nfs/dbraw/zinc/82/91/61/547829161.db2.gz SLXUPTRSRUDFMQ-UHFFFAOYSA-N 1 2 350.378 2.412 20 30 FEEDLO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000184583656 547850329 /nfs/dbraw/zinc/85/03/29/547850329.db2.gz ZQMIVEIUADAMAT-KUHUBIRLSA-N 1 2 357.433 2.246 20 30 FEEDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2)CC1 ZINC000184771595 547876902 /nfs/dbraw/zinc/87/69/02/547876902.db2.gz HANXMJGWEMJXRS-AWEZNQCLSA-N 1 2 368.462 2.464 20 30 FEEDLO CCN(CC)c1ccc(CNS(=O)(=O)c2ccc(C#N)cc2OC)c[nH+]1 ZINC000185462763 547987684 /nfs/dbraw/zinc/98/76/84/547987684.db2.gz LIDCGJZORNVQTF-UHFFFAOYSA-N 1 2 374.466 2.287 20 30 FEEDLO CCN1CCC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)CC1=O ZINC000190206089 548320493 /nfs/dbraw/zinc/32/04/93/548320493.db2.gz BJIUQTZFKCZQKT-KRWDZBQOSA-N 1 2 356.470 2.184 20 30 FEEDLO CCN1CCC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)CC1=O ZINC000190206089 548320499 /nfs/dbraw/zinc/32/04/99/548320499.db2.gz BJIUQTZFKCZQKT-KRWDZBQOSA-N 1 2 356.470 2.184 20 30 FEEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)CCCCCS(=O)(=O)CC)c1 ZINC000190402533 548324679 /nfs/dbraw/zinc/32/46/79/548324679.db2.gz VQEHWYLBOKKPRQ-UHFFFAOYSA-N 1 2 350.484 2.143 20 30 FEEDLO C#Cc1cccc(NC(=O)C[N@H+](C)CCCCCS(=O)(=O)CC)c1 ZINC000190402533 548324683 /nfs/dbraw/zinc/32/46/83/548324683.db2.gz VQEHWYLBOKKPRQ-UHFFFAOYSA-N 1 2 350.484 2.143 20 30 FEEDLO Cc1noc(C)c1S(=O)(=O)N1CCC[N@H+](CC#Cc2ccccc2)CC1 ZINC000191897693 548352834 /nfs/dbraw/zinc/35/28/34/548352834.db2.gz JQXIZELVVZHPBD-UHFFFAOYSA-N 1 2 373.478 2.040 20 30 FEEDLO Cc1noc(C)c1S(=O)(=O)N1CCC[N@@H+](CC#Cc2ccccc2)CC1 ZINC000191897693 548352836 /nfs/dbraw/zinc/35/28/36/548352836.db2.gz JQXIZELVVZHPBD-UHFFFAOYSA-N 1 2 373.478 2.040 20 30 FEEDLO C[C@@H]1CN(c2ccc(CNC(=O)Cc3ccc(C#N)cc3)c[nH+]2)C[C@@H](C)O1 ZINC000194739715 548524772 /nfs/dbraw/zinc/52/47/72/548524772.db2.gz XOPFLSCRZFWJKJ-HZPDHXFCSA-N 1 2 364.449 2.426 20 30 FEEDLO Cc1ccc(C#N)cc1NC(=O)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000195102731 548577204 /nfs/dbraw/zinc/57/72/04/548577204.db2.gz STQILKIUSJHZDV-UHFFFAOYSA-N 1 2 363.421 2.117 20 30 FEEDLO CCOC1CC(CNc2snc(Cl)c2C#N)([NH+]2CCOCC2)C1 ZINC000195316408 548621312 /nfs/dbraw/zinc/62/13/12/548621312.db2.gz CCIWCUTVTCKTAU-UHFFFAOYSA-N 1 2 356.879 2.350 20 30 FEEDLO Cc1ccc(-n2c[nH+]c3c2CCN([C@@H](C)C(=O)N(C)CCC#N)C3)cc1 ZINC000487983642 561380687 /nfs/dbraw/zinc/38/06/87/561380687.db2.gz WODMHEADKYJVCB-INIZCTEOSA-N 1 2 351.454 2.299 20 30 FEEDLO C[C@H]1CC[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C[C@H]1n1ccnc1 ZINC000246334577 549109243 /nfs/dbraw/zinc/10/92/43/549109243.db2.gz TVEXAVMTZNPLDC-MAUKXSAKSA-N 1 2 358.467 2.112 20 30 FEEDLO C[C@H]1CC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C[C@H]1n1ccnc1 ZINC000246334577 549109250 /nfs/dbraw/zinc/10/92/50/549109250.db2.gz TVEXAVMTZNPLDC-MAUKXSAKSA-N 1 2 358.467 2.112 20 30 FEEDLO Cc1oc(NC(=O)C[N@@H+]2CC[C@H]3[C@@H](CCC(=O)N3C3CC3)C2)c(C#N)c1C ZINC000246521662 549152387 /nfs/dbraw/zinc/15/23/87/549152387.db2.gz JAFKMDNIWMIXTG-YOEHRIQHSA-N 1 2 370.453 2.182 20 30 FEEDLO Cc1oc(NC(=O)C[N@H+]2CC[C@H]3[C@@H](CCC(=O)N3C3CC3)C2)c(C#N)c1C ZINC000246521662 549152389 /nfs/dbraw/zinc/15/23/89/549152389.db2.gz JAFKMDNIWMIXTG-YOEHRIQHSA-N 1 2 370.453 2.182 20 30 FEEDLO Cc1c(C[N@H+]2CCN(c3nccnc3C#N)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000247323759 549319209 /nfs/dbraw/zinc/31/92/09/549319209.db2.gz MOXPGIGOYHBHIA-CYBMUJFWSA-N 1 2 352.398 2.276 20 30 FEEDLO Cc1c(C[N@@H+]2CCN(c3nccnc3C#N)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000247323759 549319212 /nfs/dbraw/zinc/31/92/12/549319212.db2.gz MOXPGIGOYHBHIA-CYBMUJFWSA-N 1 2 352.398 2.276 20 30 FEEDLO C=CCNc1ncc(C(=O)N2CCC[C@@H]2C[NH+]2C[C@@H](C)O[C@H](C)C2)s1 ZINC000247673144 549371263 /nfs/dbraw/zinc/37/12/63/549371263.db2.gz YUPSTXQJOMZUDR-RBSFLKMASA-N 1 2 364.515 2.455 20 30 FEEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000247775786 549379484 /nfs/dbraw/zinc/37/94/84/549379484.db2.gz QNIXUHRJQQLBGY-QWHCGFSZSA-N 1 2 370.482 2.364 20 30 FEEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCC[C@@H](n2cncn2)C1 ZINC000247775786 549379490 /nfs/dbraw/zinc/37/94/90/549379490.db2.gz QNIXUHRJQQLBGY-QWHCGFSZSA-N 1 2 370.482 2.364 20 30 FEEDLO N#Cc1ccc(N2C(=O)C[C@H]([N@@H+]3CC[C@@]4(C3)OCc3ccccc34)C2=O)cc1 ZINC000248632686 549471729 /nfs/dbraw/zinc/47/17/29/549471729.db2.gz IIBFODLOSOAKDJ-UGKGYDQZSA-N 1 2 373.412 2.322 20 30 FEEDLO N#Cc1ccc(N2C(=O)C[C@H]([N@H+]3CC[C@@]4(C3)OCc3ccccc34)C2=O)cc1 ZINC000248632686 549471734 /nfs/dbraw/zinc/47/17/34/549471734.db2.gz IIBFODLOSOAKDJ-UGKGYDQZSA-N 1 2 373.412 2.322 20 30 FEEDLO CC[N@H+](C[C@H](O)C(F)(F)F)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000248719131 549490487 /nfs/dbraw/zinc/49/04/87/549490487.db2.gz GCZAOXJVBZWNII-GJZGRUSLSA-N 1 2 355.360 2.299 20 30 FEEDLO CC[N@@H+](C[C@H](O)C(F)(F)F)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000248719131 549490489 /nfs/dbraw/zinc/49/04/89/549490489.db2.gz GCZAOXJVBZWNII-GJZGRUSLSA-N 1 2 355.360 2.299 20 30 FEEDLO C=C[C@@H]1CCCC[N@H+]1CC(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1 ZINC000489500701 561412993 /nfs/dbraw/zinc/41/29/93/561412993.db2.gz QONICCXWLCNNOV-MRXNPFEDSA-N 1 2 360.410 2.239 20 30 FEEDLO C=C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1 ZINC000489500701 561412994 /nfs/dbraw/zinc/41/29/94/561412994.db2.gz QONICCXWLCNNOV-MRXNPFEDSA-N 1 2 360.410 2.239 20 30 FEEDLO C[C@@H]1C[N@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)[C@@H](C)CO1 ZINC000249059888 549545106 /nfs/dbraw/zinc/54/51/06/549545106.db2.gz PQNJNABWOIXZJB-UONOGXRCSA-N 1 2 354.372 2.282 20 30 FEEDLO C[C@@H]1C[N@@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)[C@@H](C)CO1 ZINC000249059888 549545109 /nfs/dbraw/zinc/54/51/09/549545109.db2.gz PQNJNABWOIXZJB-UONOGXRCSA-N 1 2 354.372 2.282 20 30 FEEDLO N#Cc1cccc([C@H]2CN(C(=O)c3cc(-n4cc[nH+]c4)ccn3)CCO2)c1 ZINC000490068961 561425757 /nfs/dbraw/zinc/42/57/57/561425757.db2.gz VLPPSRJBNFVEEL-LJQANCHMSA-N 1 2 359.389 2.353 20 30 FEEDLO COCC[N@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)[C@H]1CCOC1 ZINC000490091842 561426458 /nfs/dbraw/zinc/42/64/58/561426458.db2.gz PZHZGUKDGJOOPM-KRWDZBQOSA-N 1 2 365.861 2.324 20 30 FEEDLO COCC[N@@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)[C@H]1CCOC1 ZINC000490091842 561426459 /nfs/dbraw/zinc/42/64/59/561426459.db2.gz PZHZGUKDGJOOPM-KRWDZBQOSA-N 1 2 365.861 2.324 20 30 FEEDLO NC(=[NH+]OCC(=O)NC1CCCC1)c1ccc(OCc2cccnc2)cc1 ZINC000263714307 549924608 /nfs/dbraw/zinc/92/46/08/549924608.db2.gz KSCJPYDIKRHOJI-UHFFFAOYSA-N 1 2 368.437 2.356 20 30 FEEDLO C=CCn1c(=O)c2ccc(C(=O)NCC[N@@H+](CC)C3CC3)cc2[nH]c1=S ZINC000263776108 549935491 /nfs/dbraw/zinc/93/54/91/549935491.db2.gz UNYIBXGLHHOTSR-UHFFFAOYSA-N 1 2 372.494 2.085 20 30 FEEDLO C=CCn1c(=O)c2ccc(C(=O)NCC[N@H+](CC)C3CC3)cc2[nH]c1=S ZINC000263776108 549935495 /nfs/dbraw/zinc/93/54/95/549935495.db2.gz UNYIBXGLHHOTSR-UHFFFAOYSA-N 1 2 372.494 2.085 20 30 FEEDLO N#CCCN(C(=O)CCC(=O)NCCCn1cc[nH+]c1)c1ccccc1 ZINC000263979407 549963469 /nfs/dbraw/zinc/96/34/69/549963469.db2.gz UTMXRFYUMJILPX-UHFFFAOYSA-N 1 2 353.426 2.116 20 30 FEEDLO N#CCCN(C(=O)C[N@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F)c1ccccc1 ZINC000264630109 549998915 /nfs/dbraw/zinc/99/89/15/549998915.db2.gz UUJORXGOHAUCQZ-GDBMZVCRSA-N 1 2 355.360 2.321 20 30 FEEDLO N#CCCN(C(=O)C[N@@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F)c1ccccc1 ZINC000264630109 549998919 /nfs/dbraw/zinc/99/89/19/549998919.db2.gz UUJORXGOHAUCQZ-GDBMZVCRSA-N 1 2 355.360 2.321 20 30 FEEDLO C#CCOc1ccccc1CNc1cc(N2CCC[C@H](CO)C2)nc[nH+]1 ZINC000265168520 550007387 /nfs/dbraw/zinc/00/73/87/550007387.db2.gz YEISFUJWMZDEIZ-INIZCTEOSA-N 1 2 352.438 2.309 20 30 FEEDLO C#CCOc1ccccc1CNc1cc(N2CCC[C@H](CO)C2)[nH+]cn1 ZINC000265168520 550007392 /nfs/dbraw/zinc/00/73/92/550007392.db2.gz YEISFUJWMZDEIZ-INIZCTEOSA-N 1 2 352.438 2.309 20 30 FEEDLO C#CCOc1ccc(C(=O)N2CC[NH+](Cc3c(C)noc3C)CC2)cc1 ZINC000265966942 550015526 /nfs/dbraw/zinc/01/55/26/550015526.db2.gz SVJFMLRIFVKURL-UHFFFAOYSA-N 1 2 353.422 2.261 20 30 FEEDLO C=CCOCCCC(=O)N1CC[NH+](Cc2cc(OC)ccc2OC)CC1 ZINC000266221418 550018319 /nfs/dbraw/zinc/01/83/19/550018319.db2.gz JCSBHBFIZXFUPM-UHFFFAOYSA-N 1 2 362.470 2.331 20 30 FEEDLO COc1ccccc1CNC(=O)[C@H](C)O[NH+]=C(N)[C@@H](C)OCC(C)C ZINC000266240158 550018595 /nfs/dbraw/zinc/01/85/95/550018595.db2.gz WZDPMRCTZZJZIS-KGLIPLIRSA-N 1 2 351.447 2.050 20 30 FEEDLO N#CCOc1ccc(C[NH+]2CCN(C(=O)c3cccc(O)c3)CC2)cc1 ZINC000266922745 550025822 /nfs/dbraw/zinc/02/58/22/550025822.db2.gz MKXQSWCVCFYIHN-UHFFFAOYSA-N 1 2 351.406 2.253 20 30 FEEDLO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCOC[C@H]1CC(=O)c1ccco1 ZINC000268582479 550089895 /nfs/dbraw/zinc/08/98/95/550089895.db2.gz JYKJXGZGWJDZJN-MRXNPFEDSA-N 1 2 367.405 2.454 20 30 FEEDLO N#Cc1ccccc1NC(=O)CC[N@H+]1CCOC[C@H]1CC(=O)c1ccco1 ZINC000268582479 550089897 /nfs/dbraw/zinc/08/98/97/550089897.db2.gz JYKJXGZGWJDZJN-MRXNPFEDSA-N 1 2 367.405 2.454 20 30 FEEDLO N#Cc1ccc(NC(=O)C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(Cl)c1 ZINC000269090086 550153401 /nfs/dbraw/zinc/15/34/01/550153401.db2.gz KFLZLIMQEACWAV-GFCCVEGCSA-N 1 2 357.801 2.279 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@H]3CCOC4(CCC4)C3)CC2)cc1 ZINC000269220526 550168984 /nfs/dbraw/zinc/16/89/84/550168984.db2.gz CXXNWDWDPCTQQC-IBGZPJMESA-N 1 2 368.481 2.487 20 30 FEEDLO C=C(C)[C@@H](CC(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1)OCC ZINC000270142882 550251896 /nfs/dbraw/zinc/25/18/96/550251896.db2.gz SGWPFUJOVYYJQC-GOSISDBHSA-N 1 2 356.470 2.350 20 30 FEEDLO C=CCS(=O)(=O)CC[NH2+][C@@H](C)c1nnn(-c2ccc(Cl)cc2)c1C ZINC000272879939 550474825 /nfs/dbraw/zinc/47/48/25/550474825.db2.gz QLOKNBMWYHGKRP-LBPRGKRZSA-N 1 2 368.890 2.481 20 30 FEEDLO Cn1cc[nH+]c1[C@H](NS(=O)(=O)CC1(C#N)CC1)c1ccc(Cl)cc1 ZINC000274148924 550525372 /nfs/dbraw/zinc/52/53/72/550525372.db2.gz CBIWVUIBPQPMFA-CQSZACIVSA-N 1 2 364.858 2.386 20 30 FEEDLO C=CC[N@@H+](CCc1ccco1)CC(=O)Nc1nc(CC(=O)OC)cs1 ZINC000274212491 550528105 /nfs/dbraw/zinc/52/81/05/550528105.db2.gz XBCVGNOQSQMFDO-UHFFFAOYSA-N 1 2 363.439 2.121 20 30 FEEDLO C=CC[N@H+](CCc1ccco1)CC(=O)Nc1nc(CC(=O)OC)cs1 ZINC000274212491 550528106 /nfs/dbraw/zinc/52/81/06/550528106.db2.gz XBCVGNOQSQMFDO-UHFFFAOYSA-N 1 2 363.439 2.121 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[NH2+][C@H](C)c2nncn2C)c1 ZINC000275146900 550570507 /nfs/dbraw/zinc/57/05/07/550570507.db2.gz FUINREYVXFWGOF-HZPDHXFCSA-N 1 2 354.458 2.418 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@H](C)c2nncn2C)c1 ZINC000275146895 550570715 /nfs/dbraw/zinc/57/07/15/550570715.db2.gz FUINREYVXFWGOF-CVEARBPZSA-N 1 2 354.458 2.418 20 30 FEEDLO C=CCC[C@H](C(=O)N1CCC[N@@H+](CC(=O)NCC)CC1)c1ccccc1 ZINC000275155734 550571000 /nfs/dbraw/zinc/57/10/00/550571000.db2.gz QFYBRMIRIFGNIV-IBGZPJMESA-N 1 2 357.498 2.407 20 30 FEEDLO C=CCC[C@H](C(=O)N1CCC[N@H+](CC(=O)NCC)CC1)c1ccccc1 ZINC000275155734 550571001 /nfs/dbraw/zinc/57/10/01/550571001.db2.gz QFYBRMIRIFGNIV-IBGZPJMESA-N 1 2 357.498 2.407 20 30 FEEDLO C=CC[N@@H+](C)CC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 ZINC000494687769 561474333 /nfs/dbraw/zinc/47/43/33/561474333.db2.gz RHFDBWZOABWSAD-UHFFFAOYSA-N 1 2 365.499 2.226 20 30 FEEDLO C=CC[N@H+](C)CC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 ZINC000494687769 561474334 /nfs/dbraw/zinc/47/43/34/561474334.db2.gz RHFDBWZOABWSAD-UHFFFAOYSA-N 1 2 365.499 2.226 20 30 FEEDLO C#CC[C@@]1(C(=O)NCCCn2cc[nH+]c2)CCCN1C(=O)OC(C)(C)C ZINC000277560326 550684348 /nfs/dbraw/zinc/68/43/48/550684348.db2.gz UDCCUUDZNHOFTA-IBGZPJMESA-N 1 2 360.458 2.182 20 30 FEEDLO CC1(C)CCCN(CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)[C@@H]1C#N ZINC000277746926 550709277 /nfs/dbraw/zinc/70/92/77/550709277.db2.gz LFDTXFIXJRRMKQ-LJQANCHMSA-N 1 2 370.497 2.471 20 30 FEEDLO CC(C)C(=O)N1CC[NH+](Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000279436780 550890241 /nfs/dbraw/zinc/89/02/41/550890241.db2.gz QVMLGUHILLTIMH-UHFFFAOYSA-N 1 2 366.469 2.159 20 30 FEEDLO C#CCC[NH+]1CCN(C(=O)c2cc3c(C(F)F)nn(C)c3s2)CC1 ZINC000279484507 550895636 /nfs/dbraw/zinc/89/56/36/550895636.db2.gz IPLFYAFGXACOCE-UHFFFAOYSA-N 1 2 352.410 2.354 20 30 FEEDLO C[C@H](O)C[C@H]1CCCC[N@@H+]1CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000279829196 550933587 /nfs/dbraw/zinc/93/35/87/550933587.db2.gz QYXJDRBQKCQACI-LZWOXQAQSA-N 1 2 368.437 2.137 20 30 FEEDLO C[C@H](O)C[C@H]1CCCC[N@H+]1CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000279829196 550933589 /nfs/dbraw/zinc/93/35/89/550933589.db2.gz QYXJDRBQKCQACI-LZWOXQAQSA-N 1 2 368.437 2.137 20 30 FEEDLO C[C@@H](C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)N(C)CC(F)(F)F ZINC000280241756 550973914 /nfs/dbraw/zinc/97/39/14/550973914.db2.gz LEDRZIBFXAFPIH-AWEZNQCLSA-N 1 2 368.403 2.085 20 30 FEEDLO N#CCc1ccc(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)cc1 ZINC000280645404 551016900 /nfs/dbraw/zinc/01/69/00/551016900.db2.gz JAUPEFYQSUWLLD-RTWAWAEBSA-N 1 2 361.445 2.478 20 30 FEEDLO N#CCc1ccc(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)cc1 ZINC000280645404 551016902 /nfs/dbraw/zinc/01/69/02/551016902.db2.gz JAUPEFYQSUWLLD-RTWAWAEBSA-N 1 2 361.445 2.478 20 30 FEEDLO C#C[C@H](NC(=O)N[C@@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1)C(C)C ZINC000281036355 551056855 /nfs/dbraw/zinc/05/68/55/551056855.db2.gz ILNAVWCHZKQUID-ZWKOTPCHSA-N 1 2 370.453 2.484 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C1=O ZINC000281407871 551093429 /nfs/dbraw/zinc/09/34/29/551093429.db2.gz QXROJKVTXLBOKC-HKUYNNGSSA-N 1 2 368.481 2.349 20 30 FEEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C1=O ZINC000281407871 551093430 /nfs/dbraw/zinc/09/34/30/551093430.db2.gz QXROJKVTXLBOKC-HKUYNNGSSA-N 1 2 368.481 2.349 20 30 FEEDLO C#C[C@@H](NC(=O)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)C(C)C ZINC000281579606 551115812 /nfs/dbraw/zinc/11/58/12/551115812.db2.gz QNRNBBDTPIHOIX-QGZVFWFLSA-N 1 2 362.433 2.314 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000281832110 551145680 /nfs/dbraw/zinc/14/56/80/551145680.db2.gz PZTHXWPFRWMQSO-SUMDDJOVSA-N 1 2 374.485 2.087 20 30 FEEDLO CC(C)CN(CC(C)C)C(=O)C[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000497496266 561501957 /nfs/dbraw/zinc/50/19/57/561501957.db2.gz VUVAVMCXGTVSKB-UHFFFAOYSA-N 1 2 357.502 2.216 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cn1 ZINC000282337194 551213546 /nfs/dbraw/zinc/21/35/46/551213546.db2.gz OLCHOTCLHPWXAX-AWEZNQCLSA-N 1 2 371.466 2.054 20 30 FEEDLO CC[N@H+](CC(=O)Nc1ccccc1S[C@H](C)CC#N)[C@H]1CCNC1=O ZINC000282375108 551219633 /nfs/dbraw/zinc/21/96/33/551219633.db2.gz ODNBOUYLPZUMRZ-HIFRSBDPSA-N 1 2 360.483 2.230 20 30 FEEDLO CC[N@@H+](CC(=O)Nc1ccccc1S[C@H](C)CC#N)[C@H]1CCNC1=O ZINC000282375108 551219635 /nfs/dbraw/zinc/21/96/35/551219635.db2.gz ODNBOUYLPZUMRZ-HIFRSBDPSA-N 1 2 360.483 2.230 20 30 FEEDLO CN(CCC#N)C(=O)CC[N@@H+]1CCOc2ccc(Br)cc2C1 ZINC000282841552 551276699 /nfs/dbraw/zinc/27/66/99/551276699.db2.gz RNSMBMYBAKRRKJ-UHFFFAOYSA-N 1 2 366.259 2.406 20 30 FEEDLO CN(CCC#N)C(=O)CC[N@H+]1CCOc2ccc(Br)cc2C1 ZINC000282841552 551276701 /nfs/dbraw/zinc/27/67/01/551276701.db2.gz RNSMBMYBAKRRKJ-UHFFFAOYSA-N 1 2 366.259 2.406 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCCC[N@@H+](CC)c1ccccc1 ZINC000283473509 551372345 /nfs/dbraw/zinc/37/23/45/551372345.db2.gz LRWIPIISWKEUIY-MJGOQNOKSA-N 1 2 373.497 2.117 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCCC[N@H+](CC)c1ccccc1 ZINC000283473509 551372347 /nfs/dbraw/zinc/37/23/47/551372347.db2.gz LRWIPIISWKEUIY-MJGOQNOKSA-N 1 2 373.497 2.117 20 30 FEEDLO C[C@H](NC(=O)CO[NH+]=C(N)[C@H]1CCCO1)c1ccc(Br)cc1 ZINC000284475088 551557269 /nfs/dbraw/zinc/55/72/69/551557269.db2.gz RNQZLHCLZSLZLD-GXFFZTMASA-N 1 2 370.247 2.094 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000498913564 561537613 /nfs/dbraw/zinc/53/76/13/561537613.db2.gz AFRBAQNFTICGJY-ZXYWRSMDSA-N 1 2 358.490 2.304 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000498913564 561537614 /nfs/dbraw/zinc/53/76/14/561537614.db2.gz AFRBAQNFTICGJY-ZXYWRSMDSA-N 1 2 358.490 2.304 20 30 FEEDLO CNC(=O)OC[C@H]1CCCC[N@@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000286660964 551911745 /nfs/dbraw/zinc/91/17/45/551911745.db2.gz ASHNRZWYRXEDMO-QGZVFWFLSA-N 1 2 358.442 2.144 20 30 FEEDLO CNC(=O)OC[C@H]1CCCC[N@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000286660964 551911747 /nfs/dbraw/zinc/91/17/47/551911747.db2.gz ASHNRZWYRXEDMO-QGZVFWFLSA-N 1 2 358.442 2.144 20 30 FEEDLO Cc1nc(N2CCN(c3nc4cc(Cl)ccn4c3C#N)CC2)cc[nH+]1 ZINC000287080316 551961083 /nfs/dbraw/zinc/96/10/83/551961083.db2.gz YFKPCXGLTBXQCJ-UHFFFAOYSA-N 1 2 353.817 2.284 20 30 FEEDLO C=C(CNC(=O)N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1)c1ccccc1 ZINC000288083595 552088042 /nfs/dbraw/zinc/08/80/42/552088042.db2.gz SCHWNIBGBLOOGW-GOSISDBHSA-N 1 2 370.497 2.038 20 30 FEEDLO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1CC(=O)NCc1ccc(C#N)cc1 ZINC000288733320 552202822 /nfs/dbraw/zinc/20/28/22/552202822.db2.gz FEWUADKFSACSKY-YOEHRIQHSA-N 1 2 372.469 2.162 20 30 FEEDLO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1CC(=O)NCc1ccc(C#N)cc1 ZINC000288733320 552202824 /nfs/dbraw/zinc/20/28/24/552202824.db2.gz FEWUADKFSACSKY-YOEHRIQHSA-N 1 2 372.469 2.162 20 30 FEEDLO C=CCN(CC=C)C(=O)C(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000288778112 552210779 /nfs/dbraw/zinc/21/07/79/552210779.db2.gz KXKLDCSRNHLQDK-UHFFFAOYSA-N 1 2 366.465 2.333 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)C1=O ZINC000500021266 561564335 /nfs/dbraw/zinc/56/43/35/561564335.db2.gz VWVZVYBEYICIKO-UZLBHIALSA-N 1 2 369.509 2.461 20 30 FEEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)C1=O ZINC000500021266 561564336 /nfs/dbraw/zinc/56/43/36/561564336.db2.gz VWVZVYBEYICIKO-UZLBHIALSA-N 1 2 369.509 2.461 20 30 FEEDLO C[NH+](C)[C@H](CNS(=O)(=O)c1cncc(C#N)c1)c1ccccc1Cl ZINC000289808510 552381484 /nfs/dbraw/zinc/38/14/84/552381484.db2.gz NIEKYYOEPHCGOO-MRXNPFEDSA-N 1 2 364.858 2.188 20 30 FEEDLO C[C@H](Cn1ccnc1)Nc1nc(N[C@@H](C)Cn2cc[nH+]c2)ccc1C#N ZINC000290471709 552484284 /nfs/dbraw/zinc/48/42/84/552484284.db2.gz GQRXJYUBQXKLIV-LSDHHAIUSA-N 1 2 350.430 2.347 20 30 FEEDLO C[C@H](Cn1cc[nH+]c1)Nc1nc(N[C@@H](C)Cn2ccnc2)ccc1C#N ZINC000290471709 552484285 /nfs/dbraw/zinc/48/42/85/552484285.db2.gz GQRXJYUBQXKLIV-LSDHHAIUSA-N 1 2 350.430 2.347 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCS[C@@H]3CCCC[C@@H]32)nc1 ZINC000290473833 552484820 /nfs/dbraw/zinc/48/48/20/552484820.db2.gz XCMRSATWWLEXGH-LSDHHAIUSA-N 1 2 351.497 2.087 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCS[C@@H]3CCCC[C@@H]32)nc1 ZINC000290473833 552484821 /nfs/dbraw/zinc/48/48/21/552484821.db2.gz XCMRSATWWLEXGH-LSDHHAIUSA-N 1 2 351.497 2.087 20 30 FEEDLO C=C[C@@H](CO)NC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000290572463 552500229 /nfs/dbraw/zinc/50/02/29/552500229.db2.gz KZCHGJMVRIXCSX-LSDHHAIUSA-N 1 2 353.260 2.249 20 30 FEEDLO Cc1cc(Cl)cnc1NC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000291519264 552633072 /nfs/dbraw/zinc/63/30/72/552633072.db2.gz PFLDMVIWPLMDSH-UHFFFAOYSA-N 1 2 351.838 2.123 20 30 FEEDLO N#Cc1ccc(O[C@@H]2CCN(C(=O)NCCCNc3cccc[nH+]3)C2)nc1 ZINC000291639573 552646359 /nfs/dbraw/zinc/64/63/59/552646359.db2.gz MIGPMGVUQJFCNS-MRXNPFEDSA-N 1 2 366.425 2.013 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCN([C@@H](C)c3ccc(F)cc3)C2=O)C1=O ZINC000294101709 552882131 /nfs/dbraw/zinc/88/21/31/552882131.db2.gz MLHSGAIDPVNAPV-JCGIZDLHSA-N 1 2 359.445 2.206 20 30 FEEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCN([C@@H](C)c3ccc(F)cc3)C2=O)C1=O ZINC000294101709 552882134 /nfs/dbraw/zinc/88/21/34/552882134.db2.gz MLHSGAIDPVNAPV-JCGIZDLHSA-N 1 2 359.445 2.206 20 30 FEEDLO C=CC[N@@H+](Cc1ccccc1N1CCO[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000294142965 552885346 /nfs/dbraw/zinc/88/53/46/552885346.db2.gz GQGVJTCZYJSJKI-SJLPKXTDSA-N 1 2 364.511 2.087 20 30 FEEDLO C=CC[N@H+](Cc1ccccc1N1CCO[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000294142965 552885347 /nfs/dbraw/zinc/88/53/47/552885347.db2.gz GQGVJTCZYJSJKI-SJLPKXTDSA-N 1 2 364.511 2.087 20 30 FEEDLO C[C@H]1CN(c2ccc(CNC(=O)[C@@]3(C#N)CC34CCCC4)c[nH+]2)CCO1 ZINC000294546014 552914578 /nfs/dbraw/zinc/91/45/78/552914578.db2.gz QORCUPHWTOZFSA-YWZLYKJASA-N 1 2 354.454 2.397 20 30 FEEDLO C[C@@H]1CN(c2ccc(CNC(=O)[C@]3(C#N)CC34CCCC4)c[nH+]2)CCO1 ZINC000294545996 552914603 /nfs/dbraw/zinc/91/46/03/552914603.db2.gz QORCUPHWTOZFSA-FOIQADDNSA-N 1 2 354.454 2.397 20 30 FEEDLO C[C@H]([C@H](C)NC(=O)c1ccc(Br)cc1C#N)[NH+]1CCOCC1 ZINC000294585269 552917981 /nfs/dbraw/zinc/91/79/81/552917981.db2.gz MSDFRZFQKDGSBF-NWDGAFQWSA-N 1 2 366.259 2.160 20 30 FEEDLO COc1cc[nH+]cc1CNC(=O)C(=O)Nc1ccc(OC(C)C)c(C#N)c1 ZINC000294788436 552934515 /nfs/dbraw/zinc/93/45/15/552934515.db2.gz AIRROGKFAQTYHU-UHFFFAOYSA-N 1 2 368.393 2.004 20 30 FEEDLO CN(C)C(=O)O[C@@H]1CCC[N@H+](CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000295532342 553021658 /nfs/dbraw/zinc/02/16/58/553021658.db2.gz JBLSEPBYHPFTAO-QGZVFWFLSA-N 1 2 358.442 2.096 20 30 FEEDLO CN(C)C(=O)O[C@@H]1CCC[N@@H+](CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000295532342 553021660 /nfs/dbraw/zinc/02/16/60/553021660.db2.gz JBLSEPBYHPFTAO-QGZVFWFLSA-N 1 2 358.442 2.096 20 30 FEEDLO C=C(C)CS(=O)(=O)N1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000296191132 553119655 /nfs/dbraw/zinc/11/96/55/553119655.db2.gz VPMFOXCRHACQOT-HNNXBMFYSA-N 1 2 351.472 2.041 20 30 FEEDLO C#Cc1ccc(CNC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000296429859 553158394 /nfs/dbraw/zinc/15/83/94/553158394.db2.gz SSYOUCABMADWEQ-UHFFFAOYSA-N 1 2 354.498 2.026 20 30 FEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)CC(=O)N(C)[C@H](C)c1ccccc1 ZINC000503211955 561636841 /nfs/dbraw/zinc/63/68/41/561636841.db2.gz SSIPLTXXGUFPJK-IAGOWNOFSA-N 1 2 358.486 2.146 20 30 FEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)CC(=O)N(C)[C@H](C)c1ccccc1 ZINC000503211955 561636842 /nfs/dbraw/zinc/63/68/42/561636842.db2.gz SSIPLTXXGUFPJK-IAGOWNOFSA-N 1 2 358.486 2.146 20 30 FEEDLO C[C@H](c1ccccc1)N(C)C(=O)C[N@H+](C)[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000503237295 561637637 /nfs/dbraw/zinc/63/76/37/561637637.db2.gz FOTKUGWHEWWXHB-CVEARBPZSA-N 1 2 356.470 2.089 20 30 FEEDLO C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000503237295 561637638 /nfs/dbraw/zinc/63/76/38/561637638.db2.gz FOTKUGWHEWWXHB-CVEARBPZSA-N 1 2 356.470 2.089 20 30 FEEDLO N#Cc1cnc(Nc2cnn(CC[NH+]3CCOCC3)c2)c2sccc21 ZINC000601113513 553348885 /nfs/dbraw/zinc/34/88/85/553348885.db2.gz HNKJLAHZNAWTKD-UHFFFAOYSA-N 1 2 354.439 2.440 20 30 FEEDLO N#CC[C@@H]1CC[C@H](NC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000297907098 553355739 /nfs/dbraw/zinc/35/57/39/553355739.db2.gz SRHVUGAEUGKNRX-YTQUADARSA-N 1 2 356.470 2.269 20 30 FEEDLO N#CC[C@@H]1CC[C@H](NC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000297907098 553355740 /nfs/dbraw/zinc/35/57/40/553355740.db2.gz SRHVUGAEUGKNRX-YTQUADARSA-N 1 2 356.470 2.269 20 30 FEEDLO Cc1[nH+]c2ccccc2n1C1CCN(C(=O)C(=O)N(C)C[C@H](C)C#N)CC1 ZINC000297912580 553356267 /nfs/dbraw/zinc/35/62/67/553356267.db2.gz XBKZTWYTLHPFMR-CQSZACIVSA-N 1 2 367.453 2.126 20 30 FEEDLO CCCS(=O)(=O)NC1CC[NH+](Cc2cn3ccccc3c2C#N)CC1 ZINC000298439912 553424893 /nfs/dbraw/zinc/42/48/93/553424893.db2.gz BXDCGHXEDQUGCD-UHFFFAOYSA-N 1 2 360.483 2.105 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C)CC(=O)N(C)[C@H](C)c1ccccc1 ZINC000503255482 561638120 /nfs/dbraw/zinc/63/81/20/561638120.db2.gz IBMHTGMJEIXVHC-OXQOHEQNSA-N 1 2 358.486 2.192 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)CC(=O)N(C)[C@H](C)c1ccccc1 ZINC000503255482 561638121 /nfs/dbraw/zinc/63/81/21/561638121.db2.gz IBMHTGMJEIXVHC-OXQOHEQNSA-N 1 2 358.486 2.192 20 30 FEEDLO Cc1nn(C)c2ncc(C[NH+]3CCN(Cc4ccc(C#N)cc4)CC3)cc12 ZINC000298731217 553465191 /nfs/dbraw/zinc/46/51/91/553465191.db2.gz SYWTZPKXOUPVHT-UHFFFAOYSA-N 1 2 360.465 2.466 20 30 FEEDLO COc1ccc(C(N)=[NH+]OCC(=O)NCCC2=CCCCC2)cc1OC ZINC000298735617 553466096 /nfs/dbraw/zinc/46/60/96/553466096.db2.gz IBKDCQDVQYKUAZ-UHFFFAOYSA-N 1 2 361.442 2.347 20 30 FEEDLO COC(=O)[C@H]1CC[N@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000298803731 553474914 /nfs/dbraw/zinc/47/49/14/553474914.db2.gz OVMHZSKJBZJZPI-LBPRGKRZSA-N 1 2 361.467 2.322 20 30 FEEDLO COC(=O)[C@H]1CC[N@@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000298803731 553474915 /nfs/dbraw/zinc/47/49/15/553474915.db2.gz OVMHZSKJBZJZPI-LBPRGKRZSA-N 1 2 361.467 2.322 20 30 FEEDLO CC(C)c1nn(C)cc1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000298891418 553485748 /nfs/dbraw/zinc/48/57/48/553485748.db2.gz WTISJZJHLKMDOK-UHFFFAOYSA-N 1 2 351.454 2.373 20 30 FEEDLO N#Cc1ccc(OCCNc2cc(N3CCCC[C@@H]3CO)nc[nH+]2)cc1 ZINC000302876677 553739476 /nfs/dbraw/zinc/73/94/76/553739476.db2.gz FRUGMHIFUOEZRJ-MRXNPFEDSA-N 1 2 353.426 2.190 20 30 FEEDLO N#Cc1ccc(OCCNc2cc(N3CCCC[C@@H]3CO)[nH+]cn2)cc1 ZINC000302876677 553739479 /nfs/dbraw/zinc/73/94/79/553739479.db2.gz FRUGMHIFUOEZRJ-MRXNPFEDSA-N 1 2 353.426 2.190 20 30 FEEDLO N#Cc1ccc(OC[C@@H](O)C[NH+]2CCN(CCc3ccccc3)CC2)cc1 ZINC000302910831 553741597 /nfs/dbraw/zinc/74/15/97/553741597.db2.gz LWSUDGUNXSBYCU-NRFANRHFSA-N 1 2 365.477 2.158 20 30 FEEDLO N#Cc1ccccc1OC[C@H](O)C[NH+]1CCN(Cc2ccccc2)CC1 ZINC000310707344 553753680 /nfs/dbraw/zinc/75/36/80/553753680.db2.gz LASVQLAKOZCGHA-HXUWFJFHSA-N 1 2 351.450 2.116 20 30 FEEDLO N#Cc1cccc(-c2cc(C(=O)N3CC[NH2+][C@@H](c4ccncc4)C3)on2)c1 ZINC000505686217 561677508 /nfs/dbraw/zinc/67/75/08/561677508.db2.gz MGKXUSWAPGXBFV-GOSISDBHSA-N 1 2 359.389 2.395 20 30 FEEDLO C[C@@H]1C(=O)NCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000328797697 553823256 /nfs/dbraw/zinc/82/32/56/553823256.db2.gz WAGDORFJKYZPJJ-DOMZBBRYSA-N 1 2 361.446 2.045 20 30 FEEDLO C[C@@H]1C(=O)NCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000328797697 553823257 /nfs/dbraw/zinc/82/32/57/553823257.db2.gz WAGDORFJKYZPJJ-DOMZBBRYSA-N 1 2 361.446 2.045 20 30 FEEDLO CCC(CC)c1cc(CNC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)on1 ZINC000328901677 553841439 /nfs/dbraw/zinc/84/14/39/553841439.db2.gz ZJUKOSBLZFQMDH-SJORKVTESA-N 1 2 350.463 2.397 20 30 FEEDLO CCC(CC)c1cc(CNC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)on1 ZINC000328901677 553841440 /nfs/dbraw/zinc/84/14/40/553841440.db2.gz ZJUKOSBLZFQMDH-SJORKVTESA-N 1 2 350.463 2.397 20 30 FEEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)N[C@H](C[C@@H]3CCOC3)c3ccccc3)C[C@@H]21 ZINC000328972428 553856320 /nfs/dbraw/zinc/85/63/20/553856320.db2.gz BUJGYJFOBMQVRL-OJAHFUOMSA-N 1 2 373.497 2.473 20 30 FEEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)N[C@H](C[C@@H]3CCOC3)c3ccccc3)C[C@@H]21 ZINC000328972428 553856323 /nfs/dbraw/zinc/85/63/23/553856323.db2.gz BUJGYJFOBMQVRL-OJAHFUOMSA-N 1 2 373.497 2.473 20 30 FEEDLO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[N@@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C(C)C ZINC000329009971 553863854 /nfs/dbraw/zinc/86/38/54/553863854.db2.gz HTQUQOLUOKTIBB-KFWWJZLASA-N 1 2 362.478 2.094 20 30 FEEDLO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[N@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C(C)C ZINC000329009971 553863858 /nfs/dbraw/zinc/86/38/58/553863858.db2.gz HTQUQOLUOKTIBB-KFWWJZLASA-N 1 2 362.478 2.094 20 30 FEEDLO CC(C)N1C(=O)N[C@@H]2C[N@@H+](CC(=O)NC[C@@H]3Cc4ccccc4O3)CC[C@@H]21 ZINC000329015561 553865088 /nfs/dbraw/zinc/86/50/88/553865088.db2.gz JVJWROGKSGUZQT-BBWFWOEESA-N 1 2 372.469 2.028 20 30 FEEDLO CC(C)N1C(=O)N[C@@H]2C[N@H+](CC(=O)NC[C@@H]3Cc4ccccc4O3)CC[C@@H]21 ZINC000329015561 553865090 /nfs/dbraw/zinc/86/50/90/553865090.db2.gz JVJWROGKSGUZQT-BBWFWOEESA-N 1 2 372.469 2.028 20 30 FEEDLO CC(C)N1C(=O)N[C@@H]2C[N@@H+](CC(=O)NC[C@H]3Cc4ccccc4O3)CC[C@@H]21 ZINC000329015562 553865175 /nfs/dbraw/zinc/86/51/75/553865175.db2.gz JVJWROGKSGUZQT-ZACQAIPSSA-N 1 2 372.469 2.028 20 30 FEEDLO CC(C)N1C(=O)N[C@@H]2C[N@H+](CC(=O)NC[C@H]3Cc4ccccc4O3)CC[C@@H]21 ZINC000329015562 553865178 /nfs/dbraw/zinc/86/51/78/553865178.db2.gz JVJWROGKSGUZQT-ZACQAIPSSA-N 1 2 372.469 2.028 20 30 FEEDLO Cn1cc[nH+]c1[C@H](NC(=O)[C@H]1CC(=O)N(C(C)(C)C)C1)C1CCOCC1 ZINC000329101288 553880599 /nfs/dbraw/zinc/88/05/99/553880599.db2.gz ZRWYQHCIWVUWSN-GOEBONIOSA-N 1 2 362.474 2.491 20 30 FEEDLO Cc1ccc(-n2cccn2)cc1NC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000329130037 553885844 /nfs/dbraw/zinc/88/58/44/553885844.db2.gz ODDFZJCYRUYDLO-ROUUACIJSA-N 1 2 355.442 2.131 20 30 FEEDLO Cc1ccc(-n2cccn2)cc1NC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000329130037 553885846 /nfs/dbraw/zinc/88/58/46/553885846.db2.gz ODDFZJCYRUYDLO-ROUUACIJSA-N 1 2 355.442 2.131 20 30 FEEDLO Cc1noc(C)c1C(=O)N[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C ZINC000329193386 553899288 /nfs/dbraw/zinc/89/92/88/553899288.db2.gz RKHFUBCXDIFBNE-CXAGYDPISA-N 1 2 357.414 2.224 20 30 FEEDLO Cn1cc[nH+]c1[C@H](NC(=O)N1CC[C@H]([C@@H]2CCOC2)C1)C1CCOCC1 ZINC000329201114 553900832 /nfs/dbraw/zinc/90/08/32/553900832.db2.gz BTJJAKJTHIAVEU-GVDBMIGSSA-N 1 2 362.474 2.160 20 30 FEEDLO O=C(Nc1ccc(F)cc1)N[C@H]1CCN(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000329215968 553904435 /nfs/dbraw/zinc/90/44/35/553904435.db2.gz NQTSQJMPEYMNSV-OKZBNKHCSA-N 1 2 362.449 2.089 20 30 FEEDLO O=C(Nc1ccc(F)cc1)N[C@H]1CCN(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000329215968 553904436 /nfs/dbraw/zinc/90/44/36/553904436.db2.gz NQTSQJMPEYMNSV-OKZBNKHCSA-N 1 2 362.449 2.089 20 30 FEEDLO C[C@H]1CCCC[C@H]1NC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000329278074 553915475 /nfs/dbraw/zinc/91/54/75/553915475.db2.gz LCZPQMUFJFRTGG-GOEBONIOSA-N 1 2 359.474 2.183 20 30 FEEDLO CN(C)[C@H](C(=O)NC1CCN(C(=O)NC(C)(C)C)CC1)c1c[nH+]cn1C ZINC000329274449 553915974 /nfs/dbraw/zinc/91/59/74/553915974.db2.gz KJXFJSUBVUNPEC-HNNXBMFYSA-N 1 2 364.494 2.156 20 30 FEEDLO CC[C@H]1CCCN(C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)C1 ZINC000329289125 553918633 /nfs/dbraw/zinc/91/86/33/553918633.db2.gz PYQRWXQNIIAILH-HNNXBMFYSA-N 1 2 359.474 2.137 20 30 FEEDLO O=C(N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000329339764 553928157 /nfs/dbraw/zinc/92/81/57/553928157.db2.gz NWRWRYIKDMWPKO-SOLBZPMBSA-N 1 2 363.502 2.377 20 30 FEEDLO O=C(N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000329339764 553928159 /nfs/dbraw/zinc/92/81/59/553928159.db2.gz NWRWRYIKDMWPKO-SOLBZPMBSA-N 1 2 363.502 2.377 20 30 FEEDLO CC1(C)[C@H](NC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)[C@@H]2CCO[C@H]21 ZINC000329576561 553970677 /nfs/dbraw/zinc/97/06/77/553970677.db2.gz OIUVAHVCDABMQJ-FCGDIQPGSA-N 1 2 373.497 2.205 20 30 FEEDLO CC1(C)[C@H](NC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)[C@@H]2CCO[C@H]21 ZINC000329576561 553970680 /nfs/dbraw/zinc/97/06/80/553970680.db2.gz OIUVAHVCDABMQJ-FCGDIQPGSA-N 1 2 373.497 2.205 20 30 FEEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)N[C@@H]3CC(C)(C)Oc4cc(F)ccc43)C[C@@H]21 ZINC000329618563 553977882 /nfs/dbraw/zinc/97/78/82/553977882.db2.gz QMZLHUUHACQFNU-HLLBOEOZSA-N 1 2 363.433 2.357 20 30 FEEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)N[C@@H]3CC(C)(C)Oc4cc(F)ccc43)C[C@@H]21 ZINC000329618563 553977884 /nfs/dbraw/zinc/97/78/84/553977884.db2.gz QMZLHUUHACQFNU-HLLBOEOZSA-N 1 2 363.433 2.357 20 30 FEEDLO O=C(C[NH+]1CCC(c2n[nH]c(=O)[nH]2)CC1)Nc1nc2c(s1)CCCC2 ZINC000329652385 553982683 /nfs/dbraw/zinc/98/26/83/553982683.db2.gz LCLYZBBIARUVQY-UHFFFAOYSA-N 1 2 362.459 2.313 20 30 FEEDLO CN1CC[NH+](Cc2cccc(NC(=O)CN3C(=O)NC(=O)C3(C)C)c2)CC1 ZINC000329722556 553995331 /nfs/dbraw/zinc/99/53/31/553995331.db2.gz CJHAFIXRILBJCG-UHFFFAOYSA-N 1 2 373.457 2.193 20 30 FEEDLO Cc1ccnc(-c2cccc(NC(=O)N3C[C@H]4OCC[N@@H+](C)[C@H]4C3)c2)n1 ZINC000329723516 553995430 /nfs/dbraw/zinc/99/54/30/553995430.db2.gz BIPYEBSQPLPKNE-DLBZAZTESA-N 1 2 353.426 2.012 20 30 FEEDLO Cc1ccnc(-c2cccc(NC(=O)N3C[C@H]4OCC[N@H+](C)[C@H]4C3)c2)n1 ZINC000329723516 553995432 /nfs/dbraw/zinc/99/54/32/553995432.db2.gz BIPYEBSQPLPKNE-DLBZAZTESA-N 1 2 353.426 2.012 20 30 FEEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1c1ncccn1 ZINC000329743601 553998137 /nfs/dbraw/zinc/99/81/37/553998137.db2.gz QDUGHSIIHNOAOA-OWSLCNJRSA-N 1 2 373.501 2.291 20 30 FEEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1c1ncccn1 ZINC000329743601 553998141 /nfs/dbraw/zinc/99/81/41/553998141.db2.gz QDUGHSIIHNOAOA-OWSLCNJRSA-N 1 2 373.501 2.291 20 30 FEEDLO CC[C@@H]1CCCCCN1C(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000329771495 554002859 /nfs/dbraw/zinc/00/28/59/554002859.db2.gz GVVBQTBHAUREJW-GOSISDBHSA-N 1 2 364.534 2.499 20 30 FEEDLO Cn1nnc2c1C[C@H](C(=O)N[C@@H]1CCc3[nH+]c(C(C)(C)C)cn3C1)CC2 ZINC000329797454 554007324 /nfs/dbraw/zinc/00/73/24/554007324.db2.gz XEGXMXGVRUZWJJ-CHWSQXEVSA-N 1 2 356.474 2.386 20 30 FEEDLO O=C(NCc1cn2cc(Cl)ccc2[nH+]1)N1CCC[C@H](n2cncn2)C1 ZINC000329806077 554009057 /nfs/dbraw/zinc/00/90/57/554009057.db2.gz LCACDYKFOSMNNW-AWEZNQCLSA-N 1 2 359.821 2.330 20 30 FEEDLO CN1CC[NH+](CC2(C)CCN(C(=O)N[C@H]3CCCc4cn[nH]c43)CC2)CC1 ZINC000329810309 554009686 /nfs/dbraw/zinc/00/96/86/554009686.db2.gz CHJGYSMLGIFWIG-KRWDZBQOSA-N 1 2 374.533 2.051 20 30 FEEDLO Cc1ccc(-n2cc(NC(=O)N3C[C@H]4OCC[N@@H+](C)[C@H]4C3)cn2)c(C)c1 ZINC000329840599 554016520 /nfs/dbraw/zinc/01/65/20/554016520.db2.gz OFQCJGOOQZDDLE-ZWKOTPCHSA-N 1 2 355.442 2.049 20 30 FEEDLO Cc1ccc(-n2cc(NC(=O)N3C[C@H]4OCC[N@H+](C)[C@H]4C3)cn2)c(C)c1 ZINC000329840599 554016524 /nfs/dbraw/zinc/01/65/24/554016524.db2.gz OFQCJGOOQZDDLE-ZWKOTPCHSA-N 1 2 355.442 2.049 20 30 FEEDLO CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1)C(=O)N[C@H]1CCCSC1 ZINC000329936835 554034894 /nfs/dbraw/zinc/03/48/94/554034894.db2.gz LDQZZGHKRMCGBP-JYJNAYRXSA-N 1 2 369.510 2.074 20 30 FEEDLO CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1)C(=O)N[C@H]1CCCSC1 ZINC000329936835 554034896 /nfs/dbraw/zinc/03/48/96/554034896.db2.gz LDQZZGHKRMCGBP-JYJNAYRXSA-N 1 2 369.510 2.074 20 30 FEEDLO CSC1(C(=O)Nc2cccc(S(=O)(=O)N3CC[NH+](C)CC3)c2)CC1 ZINC000329947545 554036520 /nfs/dbraw/zinc/03/65/20/554036520.db2.gz HBBCRFKEFSNXCY-UHFFFAOYSA-N 1 2 369.512 2.106 20 30 FEEDLO CCO[C@@H]1C[C@H](NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)C12CCOCC2 ZINC000329966190 554040353 /nfs/dbraw/zinc/04/03/53/554040353.db2.gz RRQYNZCPWAKPLQ-HRCADAONSA-N 1 2 362.474 2.477 20 30 FEEDLO Cc1[nH+]c[nH]c1CNC(=O)[C@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000330050691 554055186 /nfs/dbraw/zinc/05/51/86/554055186.db2.gz MDHOJFLFZVWXRQ-CYBMUJFWSA-N 1 2 368.484 2.480 20 30 FEEDLO Cn1cc(C(=O)NC[C@H]2CN(C)CC[N@@H+]2C)c(-c2ccc(Cl)s2)n1 ZINC000330074445 554059965 /nfs/dbraw/zinc/05/99/65/554059965.db2.gz FPZRPAQQWDCDFY-NSHDSACASA-N 1 2 367.906 2.352 20 30 FEEDLO Cn1cc(C(=O)NC[C@H]2CN(C)CC[N@H+]2C)c(-c2ccc(Cl)s2)n1 ZINC000330074445 554059967 /nfs/dbraw/zinc/05/99/67/554059967.db2.gz FPZRPAQQWDCDFY-NSHDSACASA-N 1 2 367.906 2.352 20 30 FEEDLO N#Cc1ccc(N2CCC[C@H]([N@@H+]3CCO[C@@H](COCC4CC4)C3)C2=O)cc1 ZINC000330129374 554069997 /nfs/dbraw/zinc/06/99/97/554069997.db2.gz JYELMRRAMDVPAN-UXHICEINSA-N 1 2 369.465 2.181 20 30 FEEDLO N#Cc1ccc(N2CCC[C@H]([N@H+]3CCO[C@@H](COCC4CC4)C3)C2=O)cc1 ZINC000330129374 554069998 /nfs/dbraw/zinc/06/99/98/554069998.db2.gz JYELMRRAMDVPAN-UXHICEINSA-N 1 2 369.465 2.181 20 30 FEEDLO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCN3C(=O)NC(=O)[C@@H]3C1)CCC2 ZINC000330131548 554070659 /nfs/dbraw/zinc/07/06/59/554070659.db2.gz PTWMKTRVPIJJDA-LBPRGKRZSA-N 1 2 373.438 2.163 20 30 FEEDLO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCN3C(=O)NC(=O)[C@@H]3C1)CCC2 ZINC000330131548 554070661 /nfs/dbraw/zinc/07/06/61/554070661.db2.gz PTWMKTRVPIJJDA-LBPRGKRZSA-N 1 2 373.438 2.163 20 30 FEEDLO [O-]C(N[C@H]1CCOC2(CCSCC2)C1)=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330278848 554098398 /nfs/dbraw/zinc/09/83/98/554098398.db2.gz QDVFJRJEAGYIDC-KGLIPLIRSA-N 1 2 350.488 2.146 20 30 FEEDLO [O-]C(N[C@@H]1CCn2cc[nH+]c2C1)=[NH+][C@H]1CCOC2(CCSCC2)C1 ZINC000330278848 554098400 /nfs/dbraw/zinc/09/84/00/554098400.db2.gz QDVFJRJEAGYIDC-KGLIPLIRSA-N 1 2 350.488 2.146 20 30 FEEDLO CCN(C[C@H](C)C#N)S(=O)(=O)N1CCCC[C@H]1c1[nH+]ccn1CC ZINC000330385633 554114476 /nfs/dbraw/zinc/11/44/76/554114476.db2.gz LNPKGTYENHWWFS-CABCVRRESA-N 1 2 353.492 2.156 20 30 FEEDLO Cc1sc2[nH]c([C@@H](C)[N@H+](C)CCNC(=O)N(C)C)nc(=O)c2c1C ZINC000330615742 554146525 /nfs/dbraw/zinc/14/65/25/554146525.db2.gz CXCCLCSYQKSNRZ-SNVBAGLBSA-N 1 2 351.476 2.482 20 30 FEEDLO Cc1sc2[nH]c([C@@H](C)[N@@H+](C)CCNC(=O)N(C)C)nc(=O)c2c1C ZINC000330615742 554146527 /nfs/dbraw/zinc/14/65/27/554146527.db2.gz CXCCLCSYQKSNRZ-SNVBAGLBSA-N 1 2 351.476 2.482 20 30 FEEDLO CC(C)(C)C(=O)N1CC[N@H+](CC(=O)NCc2ccc(C#N)cc2)C(C)(C)C1 ZINC000330698980 554159690 /nfs/dbraw/zinc/15/96/90/554159690.db2.gz XDPYHNIZXBPOJE-UHFFFAOYSA-N 1 2 370.497 2.143 20 30 FEEDLO CC(C)(C)C(=O)N1CC[N@@H+](CC(=O)NCc2ccc(C#N)cc2)C(C)(C)C1 ZINC000330698980 554159691 /nfs/dbraw/zinc/15/96/91/554159691.db2.gz XDPYHNIZXBPOJE-UHFFFAOYSA-N 1 2 370.497 2.143 20 30 FEEDLO CC(C)N(C[C@H](C)O)C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000330941028 554191888 /nfs/dbraw/zinc/19/18/88/554191888.db2.gz CFHRTYVLJGPAJD-JYJNAYRXSA-N 1 2 364.490 2.200 20 30 FEEDLO C[C@@H]1C[N@@H+](CCN(C)C(=O)Nc2cccc([S@@](C)=O)c2)C[C@H](C)O1 ZINC000331175851 554225764 /nfs/dbraw/zinc/22/57/64/554225764.db2.gz FGWRWIFFWKEJLP-QWJLCTJOSA-N 1 2 353.488 2.011 20 30 FEEDLO C[C@@H]1C[N@H+](CCN(C)C(=O)Nc2cccc([S@@](C)=O)c2)C[C@H](C)O1 ZINC000331175851 554225767 /nfs/dbraw/zinc/22/57/67/554225767.db2.gz FGWRWIFFWKEJLP-QWJLCTJOSA-N 1 2 353.488 2.011 20 30 FEEDLO C[C@H](C(=O)NC(C)(C)C)[N@H+](C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000331326246 554247294 /nfs/dbraw/zinc/24/72/94/554247294.db2.gz OQXUKIWSLGRBTO-RHSMWYFYSA-N 1 2 356.470 2.289 20 30 FEEDLO C[C@H](C(=O)NC(C)(C)C)[N@@H+](C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000331326246 554247295 /nfs/dbraw/zinc/24/72/95/554247295.db2.gz OQXUKIWSLGRBTO-RHSMWYFYSA-N 1 2 356.470 2.289 20 30 FEEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+]2C[C@H](O)[C@@H](C)C2)c1C#N ZINC000509050313 561782745 /nfs/dbraw/zinc/78/27/45/561782745.db2.gz VSBUTHNYVYDAAF-LIRRHRJNSA-N 1 2 366.465 2.276 20 30 FEEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+]2C[C@H](O)[C@@H](C)C2)c1C#N ZINC000509050313 561782746 /nfs/dbraw/zinc/78/27/46/561782746.db2.gz VSBUTHNYVYDAAF-LIRRHRJNSA-N 1 2 366.465 2.276 20 30 FEEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1ccc2c(c1)OC(F)(F)O2 ZINC000509401007 561797971 /nfs/dbraw/zinc/79/79/71/561797971.db2.gz RVVYILVFWUALCR-LBPRGKRZSA-N 1 2 373.363 2.380 20 30 FEEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1ccc2c(c1)OC(F)(F)O2 ZINC000509401007 561797972 /nfs/dbraw/zinc/79/79/72/561797972.db2.gz RVVYILVFWUALCR-LBPRGKRZSA-N 1 2 373.363 2.380 20 30 FEEDLO Cc1cc[nH+]cc1N1CCN(C(=O)NCc2cc(C#N)ccc2F)CC1 ZINC000332058942 554372017 /nfs/dbraw/zinc/37/20/17/554372017.db2.gz OQRNWUNXLXUHCL-UHFFFAOYSA-N 1 2 353.401 2.433 20 30 FEEDLO Cc1cc[nH+]cc1N1CCN(S(=O)(=O)Cc2ccc(F)cc2C#N)CC1 ZINC000332528687 554464072 /nfs/dbraw/zinc/46/40/72/554464072.db2.gz GIOJWLHAMDUJIM-UHFFFAOYSA-N 1 2 374.441 2.053 20 30 FEEDLO N#CC1(F)CC[NH+](CC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 ZINC000510888024 561849670 /nfs/dbraw/zinc/84/96/70/561849670.db2.gz OJGYKACTYJMFQC-UHFFFAOYSA-N 1 2 362.449 2.109 20 30 FEEDLO C=CCOC[C@H]1NC(=O)N([C@@H](c2[nH+]ccn2C)c2ccc(Cl)cc2)C1=O ZINC000348501994 554687052 /nfs/dbraw/zinc/68/70/52/554687052.db2.gz RJIVFZNGQGHTFN-HUUCEWRRSA-N 1 2 374.828 2.286 20 30 FEEDLO C=CCNC(=O)Cc1noc(CCn2c3ccccc3[nH+]c2C2CC2)n1 ZINC000350708269 554808457 /nfs/dbraw/zinc/80/84/57/554808457.db2.gz ZCSJUDMZMHDYCV-UHFFFAOYSA-N 1 2 351.410 2.384 20 30 FEEDLO C[C@@H]1COCC[N@@H+]1CCNc1c(C#N)cnc2ccc(OC(F)F)cc21 ZINC000511413579 561868543 /nfs/dbraw/zinc/86/85/43/561868543.db2.gz LOXQVNAXBHCCCQ-GFCCVEGCSA-N 1 2 362.380 2.262 20 30 FEEDLO C[C@@H]1COCC[N@H+]1CCNc1c(C#N)cnc2ccc(OC(F)F)cc21 ZINC000511413579 561868544 /nfs/dbraw/zinc/86/85/44/561868544.db2.gz LOXQVNAXBHCCCQ-GFCCVEGCSA-N 1 2 362.380 2.262 20 30 FEEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCCN(c3ncccn3)CC2)c(C#N)c1C ZINC000360973680 554898295 /nfs/dbraw/zinc/89/82/95/554898295.db2.gz VSTGGWKGFSDFKN-CQSZACIVSA-N 1 2 368.441 2.097 20 30 FEEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCCN(c3ncccn3)CC2)c(C#N)c1C ZINC000360973680 554898297 /nfs/dbraw/zinc/89/82/97/554898297.db2.gz VSTGGWKGFSDFKN-CQSZACIVSA-N 1 2 368.441 2.097 20 30 FEEDLO C=CCNC(=O)NC(=O)C[NH2+][C@@H](c1nc(-c2ccccc2)no1)C(C)C ZINC000361985015 554941803 /nfs/dbraw/zinc/94/18/03/554941803.db2.gz FGDAVQRBBNYALA-OAHLLOKOSA-N 1 2 357.414 2.035 20 30 FEEDLO C[C@H](C(=O)NCC(F)(F)F)[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000362962432 555003433 /nfs/dbraw/zinc/00/34/33/555003433.db2.gz SCPIMRVCZRPSJK-GFCCVEGCSA-N 1 2 355.360 2.468 20 30 FEEDLO Cc1cc([C@H]2CCC[N@H+](CCS(=O)(=O)c3ccc(C#N)cc3)C2)[nH]n1 ZINC000363366865 555086921 /nfs/dbraw/zinc/08/69/21/555086921.db2.gz LMCXJMAWGFRQOV-INIZCTEOSA-N 1 2 358.467 2.243 20 30 FEEDLO Cc1cc([C@H]2CCC[N@@H+](CCS(=O)(=O)c3ccc(C#N)cc3)C2)[nH]n1 ZINC000363366865 555086922 /nfs/dbraw/zinc/08/69/22/555086922.db2.gz LMCXJMAWGFRQOV-INIZCTEOSA-N 1 2 358.467 2.243 20 30 FEEDLO Cc1cc([C@H]2CCC[N@H+](CCS(=O)(=O)c3ccc(C#N)cc3)C2)n[nH]1 ZINC000363366865 555086925 /nfs/dbraw/zinc/08/69/25/555086925.db2.gz LMCXJMAWGFRQOV-INIZCTEOSA-N 1 2 358.467 2.243 20 30 FEEDLO Cc1cc([C@H]2CCC[N@@H+](CCS(=O)(=O)c3ccc(C#N)cc3)C2)n[nH]1 ZINC000363366865 555086927 /nfs/dbraw/zinc/08/69/27/555086927.db2.gz LMCXJMAWGFRQOV-INIZCTEOSA-N 1 2 358.467 2.243 20 30 FEEDLO N#Cc1ccc2ncc(C[N@H+]3CCC[C@H](n4cc([N+](=O)[O-])cn4)C3)n2c1 ZINC000364328940 555292415 /nfs/dbraw/zinc/29/24/15/555292415.db2.gz PHIYVNANMSBWCC-AWEZNQCLSA-N 1 2 351.370 2.148 20 30 FEEDLO N#Cc1ccc2ncc(C[N@@H+]3CCC[C@H](n4cc([N+](=O)[O-])cn4)C3)n2c1 ZINC000364328940 555292416 /nfs/dbraw/zinc/29/24/16/555292416.db2.gz PHIYVNANMSBWCC-AWEZNQCLSA-N 1 2 351.370 2.148 20 30 FEEDLO O=S(=O)(NC1CC[NH+](CC#Cc2ccccc2)CC1)c1ccccc1 ZINC000365265811 555527041 /nfs/dbraw/zinc/52/70/41/555527041.db2.gz JHKHGRQQOOTAOE-UHFFFAOYSA-N 1 2 354.475 2.481 20 30 FEEDLO COC(=O)[C@H]1C[N@@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)CC12CCC2 ZINC000365708637 555646480 /nfs/dbraw/zinc/64/64/80/555646480.db2.gz APWLOGOEYCIDHV-ZIAGYGMSSA-N 1 2 359.451 2.000 20 30 FEEDLO COC(=O)[C@H]1C[N@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)CC12CCC2 ZINC000365708637 555646481 /nfs/dbraw/zinc/64/64/81/555646481.db2.gz APWLOGOEYCIDHV-ZIAGYGMSSA-N 1 2 359.451 2.000 20 30 FEEDLO Cn1cc(C[NH+]2CCN(Cc3cccc(OCCCC#N)c3)CC2)cn1 ZINC000513756440 561948844 /nfs/dbraw/zinc/94/88/44/561948844.db2.gz XYAAVSXXEJPTQA-UHFFFAOYSA-N 1 2 353.470 2.420 20 30 FEEDLO COc1cc[nH+]cc1CNC(=O)[C@@H]1CCCN(c2nc(C)ccc2C#N)C1 ZINC000366377946 555826936 /nfs/dbraw/zinc/82/69/36/555826936.db2.gz NDMRBLOUBPWVAI-MRXNPFEDSA-N 1 2 365.437 2.198 20 30 FEEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)CNC(=O)c1ccc(C#N)cc1 ZINC000366606744 555888935 /nfs/dbraw/zinc/88/89/35/555888935.db2.gz HHYOYAHSABLMRE-KRWDZBQOSA-N 1 2 365.437 2.258 20 30 FEEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)N2CCC[C@H]2c2cccc(OC)c2)C1=O ZINC000366910401 555966247 /nfs/dbraw/zinc/96/62/47/555966247.db2.gz HUDFDALKKIMFSG-RBUKOAKNSA-N 1 2 371.481 2.077 20 30 FEEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)N2CCC[C@H]2c2cccc(OC)c2)C1=O ZINC000366910401 555966249 /nfs/dbraw/zinc/96/62/49/555966249.db2.gz HUDFDALKKIMFSG-RBUKOAKNSA-N 1 2 371.481 2.077 20 30 FEEDLO C[C@H]1C[C@H](c2cccnc2)[N@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000367360730 556028173 /nfs/dbraw/zinc/02/81/73/556028173.db2.gz KDTPNJQZIPFZKG-WMLDXEAASA-N 1 2 356.451 2.205 20 30 FEEDLO C[C@H]1C[C@H](c2cccnc2)[N@@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000367360730 556028174 /nfs/dbraw/zinc/02/81/74/556028174.db2.gz KDTPNJQZIPFZKG-WMLDXEAASA-N 1 2 356.451 2.205 20 30 FEEDLO N#Cc1cccc(NC(=O)C[NH+]2CCC(CO)(Nc3ccccc3)CC2)c1 ZINC000369510375 556615498 /nfs/dbraw/zinc/61/54/98/556615498.db2.gz FVELLKJOOKODFE-UHFFFAOYSA-N 1 2 364.449 2.436 20 30 FEEDLO N#C[C@H]1C[N@@H+](Cc2ccc3c(c2)OCCO3)C[C@]12C(=O)Nc1ccccc12 ZINC000369523496 556619673 /nfs/dbraw/zinc/61/96/73/556619673.db2.gz WYWNWXVLLSKDTQ-BTYIYWSLSA-N 1 2 361.401 2.303 20 30 FEEDLO N#C[C@H]1C[N@H+](Cc2ccc3c(c2)OCCO3)C[C@]12C(=O)Nc1ccccc12 ZINC000369523496 556619675 /nfs/dbraw/zinc/61/96/75/556619675.db2.gz WYWNWXVLLSKDTQ-BTYIYWSLSA-N 1 2 361.401 2.303 20 30 FEEDLO N#CCCn1cc(C(=O)C[N@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)c2ccccc21 ZINC000370221061 556815074 /nfs/dbraw/zinc/81/50/74/556815074.db2.gz HCHRHKYZPCAMTB-MDOVXXIYSA-N 1 2 364.449 2.323 20 30 FEEDLO N#CCCn1cc(C(=O)C[N@@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)c2ccccc21 ZINC000370221061 556815076 /nfs/dbraw/zinc/81/50/76/556815076.db2.gz HCHRHKYZPCAMTB-MDOVXXIYSA-N 1 2 364.449 2.323 20 30 FEEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@@H](N2CCCCC2=O)C1 ZINC000370896766 557007220 /nfs/dbraw/zinc/00/72/20/557007220.db2.gz CNYBMXFFSBBZPM-DOTOQJQBSA-N 1 2 354.454 2.362 20 30 FEEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@@H](N2CCCCC2=O)C1 ZINC000370896766 557007222 /nfs/dbraw/zinc/00/72/22/557007222.db2.gz CNYBMXFFSBBZPM-DOTOQJQBSA-N 1 2 354.454 2.362 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)N2CC[NH2+]C[C@H]2c2ccccc2Cl)o1 ZINC000517395689 562088508 /nfs/dbraw/zinc/08/85/08/562088508.db2.gz MUVPXDKJLRWMBA-AWEZNQCLSA-N 1 2 351.815 2.140 20 30 FEEDLO C=C(C)COc1cc(C[NH+]2CCN(c3ccc(=O)[nH]n3)CC2)ccc1OC ZINC000371398962 557173992 /nfs/dbraw/zinc/17/39/92/557173992.db2.gz UPFDREUQIRLZHP-UHFFFAOYSA-N 1 2 370.453 2.468 20 30 FEEDLO C=C(C)[C@H]1OCCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000373208961 557650444 /nfs/dbraw/zinc/65/04/44/557650444.db2.gz VBXOMUMQCNSYEH-VAMGGRTRSA-N 1 2 358.482 2.375 20 30 FEEDLO C=C(C)[C@H]1OCCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000373208961 557650446 /nfs/dbraw/zinc/65/04/46/557650446.db2.gz VBXOMUMQCNSYEH-VAMGGRTRSA-N 1 2 358.482 2.375 20 30 FEEDLO Cn1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CNC(=O)Nc2cccc(C#N)c2)cn1 ZINC000373404598 557687849 /nfs/dbraw/zinc/68/78/49/557687849.db2.gz RHPVPYXXQIKAQW-RDJZCZTQSA-N 1 2 356.405 2.026 20 30 FEEDLO Cn1cc(C[N@H+]2C[C@@H](F)C[C@H]2CNC(=O)Nc2cccc(C#N)c2)cn1 ZINC000373404598 557687852 /nfs/dbraw/zinc/68/78/52/557687852.db2.gz RHPVPYXXQIKAQW-RDJZCZTQSA-N 1 2 356.405 2.026 20 30 FEEDLO CCOC(=O)C1(COC)CC[NH+]([C@H](C)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000373723999 557745268 /nfs/dbraw/zinc/74/52/68/557745268.db2.gz ATYJMAHBNZFCTO-OAHLLOKOSA-N 1 2 373.453 2.177 20 30 FEEDLO COC(=O)c1cc(C[N@@H+]2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)oc1C ZINC000374364812 557872244 /nfs/dbraw/zinc/87/22/44/557872244.db2.gz HUAMSQGCASGGGO-RNODOKPDSA-N 1 2 365.389 2.220 20 30 FEEDLO COC(=O)c1cc(C[N@H+]2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)oc1C ZINC000374364812 557872245 /nfs/dbraw/zinc/87/22/45/557872245.db2.gz HUAMSQGCASGGGO-RNODOKPDSA-N 1 2 365.389 2.220 20 30 FEEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@@H](c2nc(N(C)C)no2)C1 ZINC000374636898 557910031 /nfs/dbraw/zinc/91/00/31/557910031.db2.gz OZCSKMWPDGYLNI-DZGCQCFKSA-N 1 2 368.441 2.214 20 30 FEEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@@H](c2nc(N(C)C)no2)C1 ZINC000374636898 557910033 /nfs/dbraw/zinc/91/00/33/557910033.db2.gz OZCSKMWPDGYLNI-DZGCQCFKSA-N 1 2 368.441 2.214 20 30 FEEDLO Cc1cn2c([nH+]1)CN([C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)CC2 ZINC000374650893 557912210 /nfs/dbraw/zinc/91/22/10/557912210.db2.gz ZKPDRAMAGNIALQ-HNNXBMFYSA-N 1 2 355.417 2.482 20 30 FEEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CC[C@](O)(c3ccc(F)cc3)C2)C1=O ZINC000374880542 557944935 /nfs/dbraw/zinc/94/49/35/557944935.db2.gz VJERNYUNTCKJAP-QFBILLFUSA-N 1 2 371.437 2.458 20 30 FEEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CC[C@](O)(c3ccc(F)cc3)C2)C1=O ZINC000374880542 557944936 /nfs/dbraw/zinc/94/49/36/557944936.db2.gz VJERNYUNTCKJAP-QFBILLFUSA-N 1 2 371.437 2.458 20 30 FEEDLO CC(C)[C@@H](CNC(=O)[C@@]1(C#N)CCc2ccccc2C1)[NH+]1CCOCC1 ZINC000375015748 557964649 /nfs/dbraw/zinc/96/46/49/557964649.db2.gz DNZUHMIXOYZZHM-CTNGQTDRSA-N 1 2 355.482 2.158 20 30 FEEDLO C=C(C)Cn1c([C@@H](C)CC)nnc1N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000521373403 562175291 /nfs/dbraw/zinc/17/52/91/562175291.db2.gz HMFPDMDFPXXUPR-HOTGVXAUSA-N 1 2 374.533 2.157 20 30 FEEDLO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)CC(C)(C)C#N)C2)CC1 ZINC000375823854 558085456 /nfs/dbraw/zinc/08/54/56/558085456.db2.gz KPQOQMOVEGNBIM-OAHLLOKOSA-N 1 2 364.490 2.080 20 30 FEEDLO CC(C)n1nc2c(cc1=O)C[N@H+]([C@@H](C)C(=O)Nc1ccccc1C#N)CC2 ZINC000375861088 558090093 /nfs/dbraw/zinc/09/00/93/558090093.db2.gz PAFVZLHKLDVSAY-AWEZNQCLSA-N 1 2 365.437 2.081 20 30 FEEDLO CC(C)n1nc2c(cc1=O)C[N@@H+]([C@@H](C)C(=O)Nc1ccccc1C#N)CC2 ZINC000375861088 558090095 /nfs/dbraw/zinc/09/00/95/558090095.db2.gz PAFVZLHKLDVSAY-AWEZNQCLSA-N 1 2 365.437 2.081 20 30 FEEDLO CC(C)n1nc2c(cc1=O)C[N@H+]([C@H](C)C(=O)Nc1ccccc1C#N)CC2 ZINC000375861090 558090271 /nfs/dbraw/zinc/09/02/71/558090271.db2.gz PAFVZLHKLDVSAY-CQSZACIVSA-N 1 2 365.437 2.081 20 30 FEEDLO CC(C)n1nc2c(cc1=O)C[N@@H+]([C@H](C)C(=O)Nc1ccccc1C#N)CC2 ZINC000375861090 558090272 /nfs/dbraw/zinc/09/02/72/558090272.db2.gz PAFVZLHKLDVSAY-CQSZACIVSA-N 1 2 365.437 2.081 20 30 FEEDLO Cc1nc(C[N@@H+](C)[C@@H]2CCCN(C(=O)c3cc(C#N)oc3C)CC2)no1 ZINC000376001982 558112274 /nfs/dbraw/zinc/11/22/74/558112274.db2.gz AGRSHJDGMSHMBT-CQSZACIVSA-N 1 2 357.414 2.278 20 30 FEEDLO Cc1nc(C[N@H+](C)[C@@H]2CCCN(C(=O)c3cc(C#N)oc3C)CC2)no1 ZINC000376001982 558112276 /nfs/dbraw/zinc/11/22/76/558112276.db2.gz AGRSHJDGMSHMBT-CQSZACIVSA-N 1 2 357.414 2.278 20 30 FEEDLO C=C(Cl)CNC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000376344233 558160555 /nfs/dbraw/zinc/16/05/55/558160555.db2.gz PADFOEFFALENIP-CQSZACIVSA-N 1 2 372.897 2.076 20 30 FEEDLO Cc1nc(C[N@@H+](C)[C@@H]2CCCN(c3nccc(C#N)c3[N+](=O)[O-])CC2)no1 ZINC000376689332 558208879 /nfs/dbraw/zinc/20/88/79/558208879.db2.gz MPPYEYXKWNJGAT-CQSZACIVSA-N 1 2 371.401 2.044 20 30 FEEDLO Cc1nc(C[N@H+](C)[C@@H]2CCCN(c3nccc(C#N)c3[N+](=O)[O-])CC2)no1 ZINC000376689332 558208881 /nfs/dbraw/zinc/20/88/81/558208881.db2.gz MPPYEYXKWNJGAT-CQSZACIVSA-N 1 2 371.401 2.044 20 30 FEEDLO C[C@]1(C(=O)N(CCC#N)CC[NH+]2CCOCC2)[C@@H]2Cc3ccccc3[C@@H]21 ZINC000376738608 558215294 /nfs/dbraw/zinc/21/52/94/558215294.db2.gz YNANLUJNWORPIO-DYXWJJEUSA-N 1 2 353.466 2.037 20 30 FEEDLO N#Cc1ccc2nc(NC[C@@H]3C[C@H](F)C[N@H+]3Cc3cncnc3)ccc2c1 ZINC000377166007 558280367 /nfs/dbraw/zinc/28/03/67/558280367.db2.gz UYAMBJLCHMHTGZ-ROUUACIJSA-N 1 2 362.412 2.921 20 30 FEEDLO N#Cc1ccc2nc(NC[C@@H]3C[C@H](F)C[N@@H+]3Cc3cncnc3)ccc2c1 ZINC000377166007 558280370 /nfs/dbraw/zinc/28/03/70/558280370.db2.gz UYAMBJLCHMHTGZ-ROUUACIJSA-N 1 2 362.412 2.921 20 30 FEEDLO N#Cc1ccc(NC(=O)C[N@@H+]2[C@H](C(N)=O)C[C@@H]3CCCC[C@@H]32)cc1Cl ZINC000377169069 558280821 /nfs/dbraw/zinc/28/08/21/558280821.db2.gz SZMIMFKRVGYLRV-UVBJJODRSA-N 1 2 360.845 2.269 20 30 FEEDLO N#Cc1ccc(NC(=O)C[N@H+]2[C@H](C(N)=O)C[C@@H]3CCCC[C@@H]32)cc1Cl ZINC000377169069 558280822 /nfs/dbraw/zinc/28/08/22/558280822.db2.gz SZMIMFKRVGYLRV-UVBJJODRSA-N 1 2 360.845 2.269 20 30 FEEDLO COc1cc(C#N)ccc1OCC(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000522352499 562197462 /nfs/dbraw/zinc/19/74/62/562197462.db2.gz ITGWSOULGPFERW-UHFFFAOYSA-N 1 2 362.389 2.448 20 30 FEEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c1 ZINC000377768799 558416288 /nfs/dbraw/zinc/41/62/88/558416288.db2.gz SDKLLVKVSZJYOG-ROUUACIJSA-N 1 2 360.479 2.365 20 30 FEEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c1 ZINC000377768799 558416289 /nfs/dbraw/zinc/41/62/89/558416289.db2.gz SDKLLVKVSZJYOG-ROUUACIJSA-N 1 2 360.479 2.365 20 30 FEEDLO CC(C)c1ccccc1OCC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000522862940 562204938 /nfs/dbraw/zinc/20/49/38/562204938.db2.gz YTJNQCRGKLCLFY-UHFFFAOYSA-N 1 2 359.470 2.263 20 30 FEEDLO N#C[C@@H]1C[N@@H+](C[C@@H](O)c2ccccc2F)C[C@]12C(=O)Nc1ccccc12 ZINC000378259295 558513786 /nfs/dbraw/zinc/51/37/86/558513786.db2.gz LKBAQGMLTFOVQL-YHBQJITHSA-N 1 2 351.381 2.205 20 30 FEEDLO N#C[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2F)C[C@]12C(=O)Nc1ccccc12 ZINC000378259295 558513789 /nfs/dbraw/zinc/51/37/89/558513789.db2.gz LKBAQGMLTFOVQL-YHBQJITHSA-N 1 2 351.381 2.205 20 30 FEEDLO CC(C)N(C(=O)[C@@H](C)[N@@H+]1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O)C(C)C ZINC000378291131 558521552 /nfs/dbraw/zinc/52/15/52/558521552.db2.gz PHVFMQDNDMKXNC-VWKPWSFCSA-N 1 2 368.481 2.366 20 30 FEEDLO CC(C)N(C(=O)[C@@H](C)[N@H+]1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O)C(C)C ZINC000378291131 558521553 /nfs/dbraw/zinc/52/15/53/558521553.db2.gz PHVFMQDNDMKXNC-VWKPWSFCSA-N 1 2 368.481 2.366 20 30 FEEDLO Cc1nn(C)c2ncc(C[N@@H+]3C[C@@H](C#N)[C@]4(C3)c3ccccc3NC4=O)cc12 ZINC000378293818 558521930 /nfs/dbraw/zinc/52/19/30/558521930.db2.gz UKIGZOGYLGPMLH-QVKFZJNVSA-N 1 2 372.432 2.122 20 30 FEEDLO Cc1nn(C)c2ncc(C[N@H+]3C[C@@H](C#N)[C@]4(C3)c3ccccc3NC4=O)cc12 ZINC000378293818 558521934 /nfs/dbraw/zinc/52/19/34/558521934.db2.gz UKIGZOGYLGPMLH-QVKFZJNVSA-N 1 2 372.432 2.122 20 30 FEEDLO Cc1nn(C)c2ncc(C[N@@H+]3C[C@H](C#N)[C@@]4(C3)c3ccccc3NC4=O)cc12 ZINC000378293817 558522085 /nfs/dbraw/zinc/52/20/85/558522085.db2.gz UKIGZOGYLGPMLH-BTYIYWSLSA-N 1 2 372.432 2.122 20 30 FEEDLO Cc1nn(C)c2ncc(C[N@H+]3C[C@H](C#N)[C@@]4(C3)c3ccccc3NC4=O)cc12 ZINC000378293817 558522086 /nfs/dbraw/zinc/52/20/86/558522086.db2.gz UKIGZOGYLGPMLH-BTYIYWSLSA-N 1 2 372.432 2.122 20 30 FEEDLO C=CCOc1cccc(NC(=O)C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000378353287 558536793 /nfs/dbraw/zinc/53/67/93/558536793.db2.gz WWRHVZWTSILVLT-GOSISDBHSA-N 1 2 367.405 2.265 20 30 FEEDLO N#Cc1ccc2[nH+]cc(CN3C[C@H](C#N)[C@@]4(C3)C(=O)Nc3ccccc34)n2c1 ZINC000378372936 558542884 /nfs/dbraw/zinc/54/28/84/558542884.db2.gz SGULWHMHZANUAB-YCRPNKLZSA-N 1 2 368.400 2.051 20 30 FEEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000396381791 558623421 /nfs/dbraw/zinc/62/34/21/558623421.db2.gz OEGMFCSEBUKPPO-MRXNPFEDSA-N 1 2 355.463 2.453 20 30 FEEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000396381791 558623422 /nfs/dbraw/zinc/62/34/22/558623422.db2.gz OEGMFCSEBUKPPO-MRXNPFEDSA-N 1 2 355.463 2.453 20 30 FEEDLO CCC[N@H+](CC(=O)Nc1ccccc1OC)[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000411130136 558841833 /nfs/dbraw/zinc/84/18/33/558841833.db2.gz GKQDANNHSRHIBA-HNNXBMFYSA-N 1 2 372.469 2.297 20 30 FEEDLO CCC[N@@H+](CC(=O)Nc1ccccc1OC)[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000411130136 558841834 /nfs/dbraw/zinc/84/18/34/558841834.db2.gz GKQDANNHSRHIBA-HNNXBMFYSA-N 1 2 372.469 2.297 20 30 FEEDLO CCO[C@@H]1C[C@@]([NH2+]CCC(=O)Nc2cccc(C#N)c2)(C(=O)OC)C1(C)C ZINC000411621706 558930556 /nfs/dbraw/zinc/93/05/56/558930556.db2.gz XRJYVOGUMOWCST-OXQOHEQNSA-N 1 2 373.453 2.223 20 30 FEEDLO C[C@H]([NH2+][C@@H](c1cnn(C)c1)c1ccc(F)cc1)C(=O)NC1(C#N)CCC1 ZINC000526057698 562265393 /nfs/dbraw/zinc/26/53/93/562265393.db2.gz CRNPIHUWNKSQTQ-SUMWQHHRSA-N 1 2 355.417 2.189 20 30 FEEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCCN(Cc2ccc(F)cc2)CC1 ZINC000526059192 562265532 /nfs/dbraw/zinc/26/55/32/562265532.db2.gz OUCVACZKOONQQJ-MRXNPFEDSA-N 1 2 358.461 2.284 20 30 FEEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCCN(Cc2ccc(F)cc2)CC1 ZINC000526059192 562265533 /nfs/dbraw/zinc/26/55/33/562265533.db2.gz OUCVACZKOONQQJ-MRXNPFEDSA-N 1 2 358.461 2.284 20 30 FEEDLO CCOC1CC(CNc2cc(C)c([N+](=O)[O-])cc2C#N)([NH+]2CCOCC2)C1 ZINC000413256537 559092530 /nfs/dbraw/zinc/09/25/30/559092530.db2.gz BGAWHLLMTTYCSK-UHFFFAOYSA-N 1 2 374.441 2.457 20 30 FEEDLO C[N@H+](CC(=O)NC1(C#N)CCC1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000526135139 562268051 /nfs/dbraw/zinc/26/80/51/562268051.db2.gz PAQBPPKRWLTBQG-GDBMZVCRSA-N 1 2 368.264 2.446 20 30 FEEDLO C[N@@H+](CC(=O)NC1(C#N)CCC1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000526135139 562268052 /nfs/dbraw/zinc/26/80/52/562268052.db2.gz PAQBPPKRWLTBQG-GDBMZVCRSA-N 1 2 368.264 2.446 20 30 FEEDLO Cn1c(SC[C@H](O)C[N@H+](C)CCC#N)nnc1-c1cccc(Cl)c1 ZINC000414121753 559150076 /nfs/dbraw/zinc/15/00/76/559150076.db2.gz AMGCFAAUYOYFGD-CQSZACIVSA-N 1 2 365.890 2.434 20 30 FEEDLO Cn1c(SC[C@H](O)C[N@@H+](C)CCC#N)nnc1-c1cccc(Cl)c1 ZINC000414121753 559150077 /nfs/dbraw/zinc/15/00/77/559150077.db2.gz AMGCFAAUYOYFGD-CQSZACIVSA-N 1 2 365.890 2.434 20 30 FEEDLO Cc1ccc(I)c(OC[C@H](O)C[N@H+](C)CCC#N)c1 ZINC000414158661 559150998 /nfs/dbraw/zinc/15/09/98/559150998.db2.gz ZKGCYEMRTLAMAC-GFCCVEGCSA-N 1 2 374.222 2.185 20 30 FEEDLO Cc1ccc(I)c(OC[C@H](O)C[N@@H+](C)CCC#N)c1 ZINC000414158661 559150999 /nfs/dbraw/zinc/15/09/99/559150999.db2.gz ZKGCYEMRTLAMAC-GFCCVEGCSA-N 1 2 374.222 2.185 20 30 FEEDLO CCn1c(SC[C@@H](O)C[N@H+](C)CCC#N)nnc1-c1ccc(F)cc1 ZINC000414163751 559151176 /nfs/dbraw/zinc/15/11/76/559151176.db2.gz NQGPVVMQAJKRLI-HNNXBMFYSA-N 1 2 363.462 2.403 20 30 FEEDLO CCn1c(SC[C@@H](O)C[N@@H+](C)CCC#N)nnc1-c1ccc(F)cc1 ZINC000414163751 559151177 /nfs/dbraw/zinc/15/11/77/559151177.db2.gz NQGPVVMQAJKRLI-HNNXBMFYSA-N 1 2 363.462 2.403 20 30 FEEDLO C[C@@H](CNS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1)Cn1cc[nH+]c1 ZINC000414468199 559166553 /nfs/dbraw/zinc/16/65/53/559166553.db2.gz JXYSOHCXUYTGRD-NSHDSACASA-N 1 2 372.372 2.388 20 30 FEEDLO Cc1nn(C)c(N2CC[NH+](Cc3c[nH]nc3-c3ccsc3)CC2)c1C#N ZINC000527065365 562275261 /nfs/dbraw/zinc/27/52/61/562275261.db2.gz KCFMCCZOXYLLRR-UHFFFAOYSA-N 1 2 367.482 2.374 20 30 FEEDLO C[C@@H]1[C@H](C)N(S(=O)(=O)c2cc(Br)ccc2C#N)CC[N@H+]1C ZINC000416446698 559313320 /nfs/dbraw/zinc/31/33/20/559313320.db2.gz AGFBLGDTXVHVDC-MNOVXSKESA-N 1 2 372.288 2.034 20 30 FEEDLO C[C@@H]1[C@H](C)N(S(=O)(=O)c2cc(Br)ccc2C#N)CC[N@@H+]1C ZINC000416446698 559313321 /nfs/dbraw/zinc/31/33/21/559313321.db2.gz AGFBLGDTXVHVDC-MNOVXSKESA-N 1 2 372.288 2.034 20 30 FEEDLO C=CCC[C@H]1NC(=O)N(C[C@@H](c2cccc(C)c2)[NH+]2CCOCC2)C1=O ZINC000419922346 559464766 /nfs/dbraw/zinc/46/47/66/559464766.db2.gz JZWFJSXIKVTSLO-MSOLQXFVSA-N 1 2 357.454 2.255 20 30 FEEDLO CC(=O)N[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)C1 ZINC000420946956 559513555 /nfs/dbraw/zinc/51/35/55/559513555.db2.gz CGMIQLFYEJSBNH-UKRRQHHQSA-N 1 2 360.483 2.087 20 30 FEEDLO CC(=O)N[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)C1 ZINC000420946956 559513556 /nfs/dbraw/zinc/51/35/56/559513556.db2.gz CGMIQLFYEJSBNH-UKRRQHHQSA-N 1 2 360.483 2.087 20 30 FEEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+](C)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000527298318 562284422 /nfs/dbraw/zinc/28/44/22/562284422.db2.gz ASOVSZGKWMNKMK-NVXWUHKLSA-N 1 2 354.454 2.065 20 30 FEEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000527298318 562284423 /nfs/dbraw/zinc/28/44/23/562284423.db2.gz ASOVSZGKWMNKMK-NVXWUHKLSA-N 1 2 354.454 2.065 20 30 FEEDLO C=CCC1(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CCOCC1 ZINC000424569234 559669704 /nfs/dbraw/zinc/66/97/04/559669704.db2.gz UQYTYTGMXBJDJX-IBGZPJMESA-N 1 2 358.482 2.377 20 30 FEEDLO C=CCC1(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CCOCC1 ZINC000424569234 559669705 /nfs/dbraw/zinc/66/97/05/559669705.db2.gz UQYTYTGMXBJDJX-IBGZPJMESA-N 1 2 358.482 2.377 20 30 FEEDLO COC(=O)c1cnc([C@H](C)[NH2+]CC(=O)Nc2oc(C)c(C)c2C#N)s1 ZINC000425489958 559705171 /nfs/dbraw/zinc/70/51/71/559705171.db2.gz ONEOXENXJBQJLF-VIFPVBQESA-N 1 2 362.411 2.301 20 30 FEEDLO C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C[C@@H](O)C[NH+]1CCOCC1 ZINC000425529852 559708122 /nfs/dbraw/zinc/70/81/22/559708122.db2.gz CTKCNXMLELOHLC-YOEHRIQHSA-N 1 2 371.403 2.113 20 30 FEEDLO Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)N[C@@H]2CC[C@H](C#N)C2)cc1 ZINC000425611963 559711665 /nfs/dbraw/zinc/71/16/65/559711665.db2.gz PGJRGWPOSSCLHQ-UHOSZYNNSA-N 1 2 356.470 2.360 20 30 FEEDLO CC(C)(C)[C@@H](C#N)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000427485516 559756390 /nfs/dbraw/zinc/75/63/90/559756390.db2.gz DIZGZLMMAHAPSI-JKSUJKDBSA-N 1 2 359.474 2.072 20 30 FEEDLO CC(C)(C)[C@@H](C#N)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000427485516 559756391 /nfs/dbraw/zinc/75/63/91/559756391.db2.gz DIZGZLMMAHAPSI-JKSUJKDBSA-N 1 2 359.474 2.072 20 30 FEEDLO Cn1ncc(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1C(F)(F)F ZINC000428791392 559783449 /nfs/dbraw/zinc/78/34/49/559783449.db2.gz SPRUKULKEVLXPC-CYBMUJFWSA-N 1 2 351.332 2.359 20 30 FEEDLO Cn1ncc(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1C(F)(F)F ZINC000428791392 559783450 /nfs/dbraw/zinc/78/34/50/559783450.db2.gz SPRUKULKEVLXPC-CYBMUJFWSA-N 1 2 351.332 2.359 20 30 FEEDLO CC1(C)C[N@H+](C[C@H](O)COc2ccc(C#N)cc2)C[C@@H](C(F)(F)F)O1 ZINC000428932848 559786295 /nfs/dbraw/zinc/78/62/95/559786295.db2.gz KFJKNOURUNNAMA-ZFWWWQNUSA-N 1 2 358.360 2.340 20 30 FEEDLO CC1(C)C[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)C[C@@H](C(F)(F)F)O1 ZINC000428932848 559786296 /nfs/dbraw/zinc/78/62/96/559786296.db2.gz KFJKNOURUNNAMA-ZFWWWQNUSA-N 1 2 358.360 2.340 20 30 FEEDLO C[C@@H]([NH2+]CC(=O)Nc1sccc1C#N)c1ncc(Br)cn1 ZINC000432985122 559869367 /nfs/dbraw/zinc/86/93/67/559869367.db2.gz OXADYYFIXGPBBL-MRVPVSSYSA-N 1 2 366.244 2.462 20 30 FEEDLO N#Cc1ccc2[nH+]cc(CNc3ccc(C(=O)N4CCOCC4)cc3)n2c1 ZINC000437131665 559960784 /nfs/dbraw/zinc/96/07/84/559960784.db2.gz BRKYJZMSAKHGNA-UHFFFAOYSA-N 1 2 361.405 2.290 20 30 FEEDLO Cn1ncc2c1ncnc2N1CC[NH+](Cc2ccc(C#N)cc2Cl)CC1 ZINC000439421817 559993517 /nfs/dbraw/zinc/99/35/17/559993517.db2.gz LVWJNUUTMZOHAL-UHFFFAOYSA-N 1 2 367.844 2.211 20 30 FEEDLO C=C[C@](C)(CCOC)C(=O)N1CC[C@](C)([NH2+]CC(=O)OC(C)(C)C)C1 ZINC000442838025 560059197 /nfs/dbraw/zinc/05/91/97/560059197.db2.gz OUBSJMFDNGVNBC-MOPGFXCFSA-N 1 2 354.491 2.138 20 30 FEEDLO COc1ccccc1[C@H](CNS(=O)(=O)c1cccc(C)c1C#N)[NH+](C)C ZINC000443087676 560070136 /nfs/dbraw/zinc/07/01/36/560070136.db2.gz QMDYYJXEKWOCKN-KRWDZBQOSA-N 1 2 373.478 2.457 20 30 FEEDLO CC(C)CC[N@H+](CCC#N)CC(=O)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000444221381 560105846 /nfs/dbraw/zinc/10/58/46/560105846.db2.gz DFTQSEAVQCUSGV-UHFFFAOYSA-N 1 2 374.441 2.368 20 30 FEEDLO CC(C)CC[N@@H+](CCC#N)CC(=O)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000444221381 560105847 /nfs/dbraw/zinc/10/58/47/560105847.db2.gz DFTQSEAVQCUSGV-UHFFFAOYSA-N 1 2 374.441 2.368 20 30 FEEDLO CC1(C)CCCN(CC(=O)N2CC[NH+](Cc3cccs3)CC2)[C@H]1C#N ZINC000444720462 560118753 /nfs/dbraw/zinc/11/87/53/560118753.db2.gz PFBUMPMLSDUHLP-KRWDZBQOSA-N 1 2 360.527 2.406 20 30 FEEDLO CCC[C@]1(C(=O)OCC)CCC[N@@H+]1CC(=O)NCc1ccc(C#N)cc1 ZINC000444795449 560120840 /nfs/dbraw/zinc/12/08/40/560120840.db2.gz YLSBDCLIQQUBJM-HXUWFJFHSA-N 1 2 357.454 2.372 20 30 FEEDLO CCC[C@]1(C(=O)OCC)CCC[N@H+]1CC(=O)NCc1ccc(C#N)cc1 ZINC000444795449 560120841 /nfs/dbraw/zinc/12/08/41/560120841.db2.gz YLSBDCLIQQUBJM-HXUWFJFHSA-N 1 2 357.454 2.372 20 30 FEEDLO C[C@@H]1CN(c2ccc(CNc3ncc(C#N)cc3[N+](=O)[O-])c[nH+]2)C[C@H](C)O1 ZINC000450258022 560256109 /nfs/dbraw/zinc/25/61/09/560256109.db2.gz YVTCATLYCSLLAD-BETUJISGSA-N 1 2 368.397 2.482 20 30 FEEDLO N#CC1(C[NH+]2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)CCC1 ZINC000450510914 560264652 /nfs/dbraw/zinc/26/46/52/560264652.db2.gz JUIQLFLOTCSYQA-UHFFFAOYSA-N 1 2 351.447 2.262 20 30 FEEDLO C[C@@]1(F)CCC[N@H+](CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C1 ZINC000451113395 560287844 /nfs/dbraw/zinc/28/78/44/560287844.db2.gz JTMXIFDZGCGCFT-CRAIPNDOSA-N 1 2 364.490 2.281 20 30 FEEDLO C[C@@]1(F)CCC[N@@H+](CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C1 ZINC000451113395 560287845 /nfs/dbraw/zinc/28/78/45/560287845.db2.gz JTMXIFDZGCGCFT-CRAIPNDOSA-N 1 2 364.490 2.281 20 30 FEEDLO CCOC(=O)C1([S@](C)=O)CC[NH+](CC#Cc2cccc(Cl)c2)CC1 ZINC000451205803 560292961 /nfs/dbraw/zinc/29/29/61/560292961.db2.gz BLPSQAOJOCWWIE-DEOSSOPVSA-N 1 2 367.898 2.468 20 30 FEEDLO CC(C)([NH2+]CC(=O)N(CCC#N)c1ccccc1)c1nnc2n1CCCC2 ZINC000451396162 560304266 /nfs/dbraw/zinc/30/42/66/560304266.db2.gz ADVGZPCZDHBOAT-UHFFFAOYSA-N 1 2 366.469 2.386 20 30 FEEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CC[C@](O)(C(F)F)C1 ZINC000451428530 560306583 /nfs/dbraw/zinc/30/65/83/560306583.db2.gz KQPGZYDHKHKSSQ-XXFAHNHDSA-N 1 2 355.410 2.137 20 30 FEEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CC[C@](O)(C(F)F)C1 ZINC000451428530 560306584 /nfs/dbraw/zinc/30/65/84/560306584.db2.gz KQPGZYDHKHKSSQ-XXFAHNHDSA-N 1 2 355.410 2.137 20 30 FEEDLO CO[C@@H]1C[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)C[C@H]1O ZINC000451756717 560326819 /nfs/dbraw/zinc/32/68/19/560326819.db2.gz ILLBSIUIANYEMD-QZTJIDSGSA-N 1 2 374.485 2.112 20 30 FEEDLO CO[C@@H]1C[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)C[C@H]1O ZINC000451756717 560326820 /nfs/dbraw/zinc/32/68/20/560326820.db2.gz ILLBSIUIANYEMD-QZTJIDSGSA-N 1 2 374.485 2.112 20 30 FEEDLO CCOc1cccc(C[N@H+](CCO)CC(=O)Nc2sccc2C#N)c1 ZINC000452049775 560348106 /nfs/dbraw/zinc/34/81/06/560348106.db2.gz SWMYRSBNOYTMJG-UHFFFAOYSA-N 1 2 359.451 2.451 20 30 FEEDLO CCOc1cccc(C[N@@H+](CCO)CC(=O)Nc2sccc2C#N)c1 ZINC000452049775 560348107 /nfs/dbraw/zinc/34/81/07/560348107.db2.gz SWMYRSBNOYTMJG-UHFFFAOYSA-N 1 2 359.451 2.451 20 30 FEEDLO CCOc1cccc(C[N@H+](CCO)CC(=O)NCc2cccc(C#N)c2)c1 ZINC000452051972 560348167 /nfs/dbraw/zinc/34/81/67/560348167.db2.gz YLQHBFPCFGSMCP-UHFFFAOYSA-N 1 2 367.449 2.068 20 30 FEEDLO CCOc1cccc(C[N@@H+](CCO)CC(=O)NCc2cccc(C#N)c2)c1 ZINC000452051972 560348168 /nfs/dbraw/zinc/34/81/68/560348168.db2.gz YLQHBFPCFGSMCP-UHFFFAOYSA-N 1 2 367.449 2.068 20 30 FEEDLO CCn1cc[nH+]c1CNC(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N ZINC000453855702 560408443 /nfs/dbraw/zinc/40/84/43/560408443.db2.gz KOZCTTXIFYVAAT-UHFFFAOYSA-N 1 2 359.455 2.389 20 30 FEEDLO C=CCC1(CNC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CCCC1 ZINC000454884426 560462140 /nfs/dbraw/zinc/46/21/40/560462140.db2.gz CRLCRHSUJRAAAD-UHFFFAOYSA-N 1 2 361.490 2.473 20 30 FEEDLO Cc1cc[nH+]cc1N1CCN(C(=O)NCc2ccc(C#N)c(F)c2)CC1 ZINC000455532893 560486020 /nfs/dbraw/zinc/48/60/20/560486020.db2.gz FSSLTIODWLCZLQ-UHFFFAOYSA-N 1 2 353.401 2.433 20 30 FEEDLO C=CCN1C(=O)c2ccc(C(=O)N[C@H]3C[C@H](C)n4cc[nH+]c43)cc2C1=O ZINC000456358144 560517280 /nfs/dbraw/zinc/51/72/80/560517280.db2.gz CEULFHBJFCRAIM-NHYWBVRUSA-N 1 2 350.378 2.101 20 30 FEEDLO Cc1cc(C(=O)N2CC[NH+](CCOc3ccccc3)CC2)ncc1C#N ZINC000457384133 560564560 /nfs/dbraw/zinc/56/45/60/560564560.db2.gz KGMORIRAVOCWPX-UHFFFAOYSA-N 1 2 350.422 2.099 20 30 FEEDLO C=CCC[C@H](CO)NC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(OC)cc1 ZINC000457554353 560574209 /nfs/dbraw/zinc/57/42/09/560574209.db2.gz FEUSUUQIVBLKLO-WBVHZDCISA-N 1 2 358.442 2.144 20 30 FEEDLO CN(CC(C)(C)C#N)C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000457994290 560598302 /nfs/dbraw/zinc/59/83/02/560598302.db2.gz WLLFVWYXTXCIHN-UHFFFAOYSA-N 1 2 374.485 2.089 20 30 FEEDLO CC(C)(C)OC(=O)C[NH2+][C@]1(C)CCN(C(=O)NCC(C)(C)CC#N)C1 ZINC000459242651 560675772 /nfs/dbraw/zinc/67/57/72/560675772.db2.gz SANDLNBJGHRCOE-GOSISDBHSA-N 1 2 352.479 2.032 20 30 FEEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCN(C(=O)c2cscn2)[C@@H](C)C1 ZINC000459501125 560690179 /nfs/dbraw/zinc/69/01/79/560690179.db2.gz BRFLCUZKFBYRKO-GJZGRUSLSA-N 1 2 364.515 2.103 20 30 FEEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCN(C(=O)c2cscn2)[C@@H](C)C1 ZINC000459501125 560690180 /nfs/dbraw/zinc/69/01/80/560690180.db2.gz BRFLCUZKFBYRKO-GJZGRUSLSA-N 1 2 364.515 2.103 20 30 FEEDLO COCC(=O)NC1C[NH+](Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000459606509 560697442 /nfs/dbraw/zinc/69/74/42/560697442.db2.gz CORWZRGVZAOEJC-UHFFFAOYSA-N 1 2 365.433 2.084 20 30 FEEDLO C[C@@H](C[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1)C(=O)OC(C)(C)C ZINC000459801411 560709183 /nfs/dbraw/zinc/70/91/83/560709183.db2.gz GYIAQIMAIGWIQE-AWEZNQCLSA-N 1 2 366.483 2.242 20 30 FEEDLO C[C@@H](C[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1)C(=O)OC(C)(C)C ZINC000459801411 560709184 /nfs/dbraw/zinc/70/91/84/560709184.db2.gz GYIAQIMAIGWIQE-AWEZNQCLSA-N 1 2 366.483 2.242 20 30 FEEDLO C=CCc1cc(CNC(=O)N2CCn3c[nH+]cc3C2)cc(OC)c1OC ZINC000460158304 560736631 /nfs/dbraw/zinc/73/66/31/560736631.db2.gz BKWZMFAVYYRFRK-UHFFFAOYSA-N 1 2 356.426 2.354 20 30 FEEDLO C[C@@H]1CN(c2ccc(CNC(=O)N[C@@H]3CCC[C@H]3C#N)c[nH+]2)C[C@@H](C)O1 ZINC000461961854 560789948 /nfs/dbraw/zinc/78/99/48/560789948.db2.gz VYMQHWOADBOLQF-TXCZRRACSA-N 1 2 357.458 2.187 20 30 FEEDLO CCOC1CC(CNC(=O)[C@@H](C)c2cccc(C#N)c2)([NH+]2CCOCC2)C1 ZINC000462332178 560806289 /nfs/dbraw/zinc/80/62/89/560806289.db2.gz MAMHFCNIDDDXKP-YQHFOJDRSA-N 1 2 371.481 2.048 20 30 FEEDLO COC(=O)[C@@H]1C[C@H](C2CCCCC2)C[N@@H+]1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000464819165 560852472 /nfs/dbraw/zinc/85/24/72/560852472.db2.gz RJUGEYXBFDSCNZ-RIFZZMRRSA-N 1 2 361.486 2.239 20 30 FEEDLO COC(=O)[C@@H]1C[C@H](C2CCCCC2)C[N@H+]1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000464819165 560852474 /nfs/dbraw/zinc/85/24/74/560852474.db2.gz RJUGEYXBFDSCNZ-RIFZZMRRSA-N 1 2 361.486 2.239 20 30 FEEDLO C[NH+](C)[C@H](CNS(=O)(=O)c1c(F)cc(C#N)cc1F)c1ccsc1 ZINC000467152447 560904910 /nfs/dbraw/zinc/90/49/10/560904910.db2.gz OZMBSCZJXUKYHC-CQSZACIVSA-N 1 2 371.434 2.479 20 30 FEEDLO C[C@@H](CNS(=O)(=O)c1c(F)cc(C#N)cc1F)[N@@H+]1CCCC[C@H]1C ZINC000467156774 560905065 /nfs/dbraw/zinc/90/50/65/560905065.db2.gz CFXFSSRZIOTLPE-NEPJUHHUSA-N 1 2 357.426 2.378 20 30 FEEDLO C[C@@H](CNS(=O)(=O)c1c(F)cc(C#N)cc1F)[N@H+]1CCCC[C@H]1C ZINC000467156774 560905066 /nfs/dbraw/zinc/90/50/66/560905066.db2.gz CFXFSSRZIOTLPE-NEPJUHHUSA-N 1 2 357.426 2.378 20 30 FEEDLO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000467285976 560907680 /nfs/dbraw/zinc/90/76/80/560907680.db2.gz NTSJTJAQXRFBTP-VYDXJSESSA-N 1 2 352.394 2.382 20 30 FEEDLO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000467285976 560907681 /nfs/dbraw/zinc/90/76/81/560907681.db2.gz NTSJTJAQXRFBTP-VYDXJSESSA-N 1 2 352.394 2.382 20 30 FEEDLO COc1cccc(-c2noc([C@H](C)[NH2+][C@@H](C)C(=O)NC3(C#N)CCC3)n2)c1 ZINC000469307850 560952200 /nfs/dbraw/zinc/95/22/00/560952200.db2.gz VPCYUHZWEXVTHZ-STQMWFEESA-N 1 2 369.425 2.347 20 30 FEEDLO C[C@@H](C(=O)NC1(C#N)CCC1)N1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC000469721108 560962790 /nfs/dbraw/zinc/96/27/90/560962790.db2.gz RZMIDPJIOGIMPY-HOTGVXAUSA-N 1 2 358.461 2.455 20 30 FEEDLO CCOC(=O)[C@H]1C[N@@H+]([C@H](C)C(=O)NC2(C#N)CCC2)Cc2ccccc21 ZINC000469732125 560963157 /nfs/dbraw/zinc/96/31/57/560963157.db2.gz YXGAERZVRXWMPR-PBHICJAKSA-N 1 2 355.438 2.100 20 30 FEEDLO CCOC(=O)[C@H]1C[N@H+]([C@H](C)C(=O)NC2(C#N)CCC2)Cc2ccccc21 ZINC000469732125 560963158 /nfs/dbraw/zinc/96/31/58/560963158.db2.gz YXGAERZVRXWMPR-PBHICJAKSA-N 1 2 355.438 2.100 20 30 FEEDLO COC(=O)[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)[C@H]1C ZINC000469996901 560971129 /nfs/dbraw/zinc/97/11/29/560971129.db2.gz SOMJCUHQMKJZRD-SDDRHHMPSA-N 1 2 361.467 2.319 20 30 FEEDLO COC(=O)[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)[C@H]1C ZINC000469996901 560971130 /nfs/dbraw/zinc/97/11/30/560971130.db2.gz SOMJCUHQMKJZRD-SDDRHHMPSA-N 1 2 361.467 2.319 20 30 FEEDLO C=CCOCCC[NH+]1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000470717850 560987952 /nfs/dbraw/zinc/98/79/52/560987952.db2.gz WOPGMITUZRGZRI-UHFFFAOYSA-N 1 2 364.511 2.074 20 30 FEEDLO COC(=O)c1cc(C[NH+]2CCN(c3c(C#N)c(C)nn3C)CC2)c(C)s1 ZINC000472151863 561019457 /nfs/dbraw/zinc/01/94/57/561019457.db2.gz HBJPZUBIZMMPCK-UHFFFAOYSA-N 1 2 373.482 2.079 20 30 FEEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1ccccc1C#Cc1ccccc1 ZINC000473263108 561045835 /nfs/dbraw/zinc/04/58/35/561045835.db2.gz KLEMEHRHBSMOEB-QGZVFWFLSA-N 1 2 372.428 2.426 20 30 FEEDLO Cn1ncc(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1C#N ZINC000476458267 561120008 /nfs/dbraw/zinc/12/00/08/561120008.db2.gz LSFXKKJOHFXVPU-GOEBONIOSA-N 1 2 361.808 2.259 20 30 FEEDLO Cn1ncc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1C#N ZINC000476458267 561120009 /nfs/dbraw/zinc/12/00/09/561120009.db2.gz LSFXKKJOHFXVPU-GOEBONIOSA-N 1 2 361.808 2.259 20 30 FEEDLO N#Cc1ccccc1OC[C@H](O)CN1CC[NH+](Cc2ccsc2)CC1 ZINC000528341616 562323636 /nfs/dbraw/zinc/32/36/36/562323636.db2.gz WHXSSUYSZAZCLF-GOSISDBHSA-N 1 2 357.479 2.177 20 30 FEEDLO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCO[C@@H](c2cccc(O)c2)C1 ZINC000528403308 562327242 /nfs/dbraw/zinc/32/72/42/562327242.db2.gz CPDSETXTXIDVGF-UYAOXDASSA-N 1 2 354.406 2.077 20 30 FEEDLO N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCO[C@@H](c2cccc(O)c2)C1 ZINC000528403308 562327243 /nfs/dbraw/zinc/32/72/43/562327243.db2.gz CPDSETXTXIDVGF-UYAOXDASSA-N 1 2 354.406 2.077 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCN(c2cccc3[nH]ccc32)CC1 ZINC000528761312 562346206 /nfs/dbraw/zinc/34/62/06/562346206.db2.gz HNQAEDVXERRQME-HXUWFJFHSA-N 1 2 353.470 2.344 20 30 FEEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+]2C[C@@H](O)C[C@@H]2C)c1C#N ZINC000530360836 562408192 /nfs/dbraw/zinc/40/81/92/562408192.db2.gz UHGWZMVHHPBLGU-KSSFIOAISA-N 1 2 366.465 2.419 20 30 FEEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+]2C[C@@H](O)C[C@@H]2C)c1C#N ZINC000530360836 562408193 /nfs/dbraw/zinc/40/81/93/562408193.db2.gz UHGWZMVHHPBLGU-KSSFIOAISA-N 1 2 366.465 2.419 20 30 FEEDLO CN(Cc1cnn(C)c1)C(=O)C[N@@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000532588483 562482558 /nfs/dbraw/zinc/48/25/58/562482558.db2.gz PSMPKGHFIMVJPU-MOPGFXCFSA-N 1 2 351.454 2.150 20 30 FEEDLO CN(Cc1cnn(C)c1)C(=O)C[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000532588483 562482559 /nfs/dbraw/zinc/48/25/59/562482559.db2.gz PSMPKGHFIMVJPU-MOPGFXCFSA-N 1 2 351.454 2.150 20 30 FEEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC000532970545 562494183 /nfs/dbraw/zinc/49/41/83/562494183.db2.gz PUOXDVDPSMNYRQ-GJZGRUSLSA-N 1 2 370.540 2.018 20 30 FEEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC000532970545 562494184 /nfs/dbraw/zinc/49/41/84/562494184.db2.gz PUOXDVDPSMNYRQ-GJZGRUSLSA-N 1 2 370.540 2.018 20 30 FEEDLO C=C1CC[NH+]([C@@H](C)C(=O)Nc2cc(C(=O)OC)ccc2C(=O)OC)CC1 ZINC000533418298 562508249 /nfs/dbraw/zinc/50/82/49/562508249.db2.gz JLMQXLLXDICXBX-ZDUSSCGKSA-N 1 2 360.410 2.239 20 30 FEEDLO C=C(C)[C@@H](CC(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1)OCC ZINC000535156840 562552376 /nfs/dbraw/zinc/55/23/76/562552376.db2.gz GCGQJAIBCVRZCE-VQTJNVASSA-N 1 2 360.498 2.417 20 30 FEEDLO C=CCSCCNC(=O)NC[C@@H](c1cccs1)[NH+]1CCN(C)CC1 ZINC000541887613 562622084 /nfs/dbraw/zinc/62/20/84/562622084.db2.gz SXICPQLYDXJEQA-HNNXBMFYSA-N 1 2 368.572 2.255 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1ccn(Cc2ccccc2)c1 ZINC000541943177 562623972 /nfs/dbraw/zinc/62/39/72/562623972.db2.gz IUKHRQMYROLNDI-UHFFFAOYSA-N 1 2 366.465 2.224 20 30 FEEDLO CN(C(=O)c1ccc(NCC[NH+]2CCOCC2)c(F)c1)[C@@H]1CCC[C@@H]1C#N ZINC000601803910 567851246 /nfs/dbraw/zinc/85/12/46/567851246.db2.gz IMPXZXYQAMPYDC-VQIMIIECSA-N 1 2 374.460 2.334 20 30 FEEDLO COc1cc(Cl)c(CN(CCC#N)CC[NH+]2CCOCC2)cc1OC ZINC000602425902 567979059 /nfs/dbraw/zinc/97/90/59/567979059.db2.gz XXZPHPYEUAARDK-UHFFFAOYSA-N 1 2 367.877 2.405 20 30 FEEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602858480 568003047 /nfs/dbraw/zinc/00/30/47/568003047.db2.gz BJUOMPAVZGQKMF-MJBXVCDLSA-N 1 2 359.861 2.457 20 30 FEEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602858480 568003048 /nfs/dbraw/zinc/00/30/48/568003048.db2.gz BJUOMPAVZGQKMF-MJBXVCDLSA-N 1 2 359.861 2.457 20 30 FEEDLO CCCOCc1ccccc1CNC(=O)C[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602867633 568008499 /nfs/dbraw/zinc/00/84/99/568008499.db2.gz ZIPGGQJNRZKOBK-HDICACEKSA-N 1 2 372.513 2.148 20 30 FEEDLO CCCOCc1ccccc1CNC(=O)C[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602867633 568008501 /nfs/dbraw/zinc/00/85/01/568008501.db2.gz ZIPGGQJNRZKOBK-HDICACEKSA-N 1 2 372.513 2.148 20 30 FEEDLO C[N@H+](CC(=O)NCCc1cnn(-c2ccccc2)c1)[C@H]1CCC[C@@H]1C#N ZINC000602980443 568037019 /nfs/dbraw/zinc/03/70/19/568037019.db2.gz QCTVNWZTYJAETG-MJGOQNOKSA-N 1 2 351.454 2.155 20 30 FEEDLO C[N@@H+](CC(=O)NCCc1cnn(-c2ccccc2)c1)[C@H]1CCC[C@@H]1C#N ZINC000602980443 568037020 /nfs/dbraw/zinc/03/70/20/568037020.db2.gz QCTVNWZTYJAETG-MJGOQNOKSA-N 1 2 351.454 2.155 20 30 FEEDLO Cc1ccc2ncc(C#N)c(N3CC[NH+]([C@H](C)C(=O)NC4CC4)CC3)c2c1 ZINC000568581906 568064944 /nfs/dbraw/zinc/06/49/44/568064944.db2.gz QAGJZPHBVUKPSH-OAHLLOKOSA-N 1 2 363.465 2.204 20 30 FEEDLO CC#CC[NH2+]Cc1cn([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)nn1 ZINC000603188135 568071741 /nfs/dbraw/zinc/07/17/41/568071741.db2.gz HUINPGYVPVVZOT-LBPRGKRZSA-N 1 2 356.817 2.116 20 30 FEEDLO C=CCc1cc(C[NH2+]Cc2ccc(-c3nn[nH]n3)o2)cc(OC)c1OC ZINC000819758720 599429980 /nfs/dbraw/zinc/42/99/80/599429980.db2.gz GDMJMIQGFPJYBZ-UHFFFAOYSA-N 1 2 355.398 2.495 20 30 FEEDLO C[N@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000821613214 599559379 /nfs/dbraw/zinc/55/93/79/599559379.db2.gz CIPVNBMYCOIUGV-UHFFFAOYSA-N 1 2 372.392 2.420 20 30 FEEDLO C[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000821613214 599559380 /nfs/dbraw/zinc/55/93/80/599559380.db2.gz CIPVNBMYCOIUGV-UHFFFAOYSA-N 1 2 372.392 2.420 20 30 FEEDLO CCC[N@H+](Cc1ccc(C#N)cc1OC(F)F)[C@H]1CC(=O)N(C)C1=O ZINC000558730167 674513455 /nfs/dbraw/zinc/51/34/55/674513455.db2.gz QKWXIZWVQVKWET-ZDUSSCGKSA-N 1 2 351.353 2.129 20 30 FEEDLO CCC[N@@H+](Cc1ccc(C#N)cc1OC(F)F)[C@H]1CC(=O)N(C)C1=O ZINC000558730167 674513457 /nfs/dbraw/zinc/51/34/57/674513457.db2.gz QKWXIZWVQVKWET-ZDUSSCGKSA-N 1 2 351.353 2.129 20 30 FEEDLO Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[N@@H+](C[C@@H](C)C#N)C1CC1 ZINC000826335059 607818146 /nfs/dbraw/zinc/81/81/46/607818146.db2.gz WMMJBKHFWGXUBF-LBPRGKRZSA-N 1 2 363.429 2.015 20 30 FEEDLO Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[N@H+](C[C@@H](C)C#N)C1CC1 ZINC000826335059 607818147 /nfs/dbraw/zinc/81/81/47/607818147.db2.gz WMMJBKHFWGXUBF-LBPRGKRZSA-N 1 2 363.429 2.015 20 30 FEEDLO Cc1nc(-c2nn[nH]n2)c(N=NCc2[nH+]c(C(C)C)n3ccccc23)o1 ZINC000826323162 607887019 /nfs/dbraw/zinc/88/70/19/607887019.db2.gz SPAUSYNNHVEWKE-UHFFFAOYSA-N 1 2 351.374 2.380 20 30 FEEDLO N#Cc1csc(C[NH+]2CCN(c3cccc(F)c3-c3nn[nH]n3)CC2)c1 ZINC000826387647 608596286 /nfs/dbraw/zinc/59/62/86/608596286.db2.gz IFELDSQVBOEONU-UHFFFAOYSA-N 1 2 369.429 2.261 20 30 FEEDLO Cc1c(C(=O)C=Cc2cccc3[nH+]ccn32)c(-c2nn[nH]n2)c2n1CCC2 ZINC000826234312 608753461 /nfs/dbraw/zinc/75/34/61/608753461.db2.gz QFWBIQFUIGTAOR-BQYQJAHWSA-N 1 2 359.393 2.467 20 30 FEEDLO C[N@H+](CCS(=O)(=O)c1ccc(C#N)cn1)CC1(c2ccccc2)CC1 ZINC000564141588 674977261 /nfs/dbraw/zinc/97/72/61/674977261.db2.gz AKRJGDAPYAINNA-UHFFFAOYSA-N 1 2 355.463 2.391 20 30 FEEDLO C[N@@H+](CCS(=O)(=O)c1ccc(C#N)cn1)CC1(c2ccccc2)CC1 ZINC000564141588 674977263 /nfs/dbraw/zinc/97/72/63/674977263.db2.gz AKRJGDAPYAINNA-UHFFFAOYSA-N 1 2 355.463 2.391 20 30 FEEDLO CCOC(=O)Cc1csc(NC(=O)C[NH+]2CCC(CCC#N)CC2)n1 ZINC000564915963 675076126 /nfs/dbraw/zinc/07/61/26/675076126.db2.gz HLFVBZJUNLBMGK-UHFFFAOYSA-N 1 2 364.471 2.203 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCC(C(=O)OC(C)(C)C)CC1 ZINC000608976901 675908240 /nfs/dbraw/zinc/90/82/40/675908240.db2.gz YSLJPALKYBDJJN-LIRRHRJNSA-N 1 2 351.491 2.483 20 30 FEEDLO C[N@@H+]1CC[C@@H](NS(=O)(=O)CC2(C#N)CCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000578063458 671637693 /nfs/dbraw/zinc/63/76/93/671637693.db2.gz LMUSIHYFQOJVJH-CVEARBPZSA-N 1 2 369.437 2.323 20 30 FEEDLO C[N@H+]1CC[C@@H](NS(=O)(=O)CC2(C#N)CCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000578063458 671637696 /nfs/dbraw/zinc/63/76/96/671637696.db2.gz LMUSIHYFQOJVJH-CVEARBPZSA-N 1 2 369.437 2.323 20 30 FEEDLO C=CCOCCNC(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000679486816 672500604 /nfs/dbraw/zinc/50/06/04/672500604.db2.gz AKAAKUIYUPUIBZ-AWEZNQCLSA-N 1 2 353.413 2.431 20 30 FEEDLO C=CCOCCNC(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000679486816 672500606 /nfs/dbraw/zinc/50/06/06/672500606.db2.gz AKAAKUIYUPUIBZ-AWEZNQCLSA-N 1 2 353.413 2.431 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H]2COc3c2cccc3Cl)nc1 ZINC000591753765 672708030 /nfs/dbraw/zinc/70/80/30/672708030.db2.gz JPFJVVNGYSLIMP-CQSZACIVSA-N 1 2 363.826 2.104 20 30 FEEDLO CC1(C)C[N@H+](CCNC(=O)N2CCC(c3nccs3)CC2)CCO1 ZINC000328737462 673065889 /nfs/dbraw/zinc/06/58/89/673065889.db2.gz GZQSQMMUUCEWID-UHFFFAOYSA-N 1 2 352.504 2.347 20 30 FEEDLO CC1(C)C[N@@H+](CCNC(=O)N2CCC(c3nccs3)CC2)CCO1 ZINC000328737462 673065891 /nfs/dbraw/zinc/06/58/91/673065891.db2.gz GZQSQMMUUCEWID-UHFFFAOYSA-N 1 2 352.504 2.347 20 30 FEEDLO CCN1CC[NH+]([C@@H]2CCN(C(=O)N[C@H](C)c3csc(C)n3)C2)CC1 ZINC000329386028 673076792 /nfs/dbraw/zinc/07/67/92/673076792.db2.gz PNBLGPCYMUHBLW-UKRRQHHQSA-N 1 2 351.520 2.138 20 30 FEEDLO N#Cc1cc(F)c(S(=O)(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c(F)c1 ZINC000594485092 673089281 /nfs/dbraw/zinc/08/92/81/673089281.db2.gz WCIXOFMHLHIGDK-HUUCEWRRSA-N 1 2 355.410 2.132 20 30 FEEDLO N#Cc1cc(F)c(S(=O)(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)c(F)c1 ZINC000594485092 673089287 /nfs/dbraw/zinc/08/92/87/673089287.db2.gz WCIXOFMHLHIGDK-HUUCEWRRSA-N 1 2 355.410 2.132 20 30 FEEDLO C[C@H](c1ccsc1)[NH+]1CCN(C[C@H](O)CC2(C#N)CCOCC2)CC1 ZINC000599360006 673663488 /nfs/dbraw/zinc/66/34/88/673663488.db2.gz IZQZPGDSPZRROU-SJLPKXTDSA-N 1 2 363.527 2.498 20 30 FEEDLO N#Cc1cccc(N2CC[NH+](Cc3cnn(CC(F)(F)F)c3)CC2)n1 ZINC000545552641 673773261 /nfs/dbraw/zinc/77/32/61/673773261.db2.gz RPIARDXNPHPGEG-UHFFFAOYSA-N 1 2 350.348 2.034 20 30 FEEDLO N#CCCN1CCN(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)CC1 ZINC000601257236 673836169 /nfs/dbraw/zinc/83/61/69/673836169.db2.gz LEHSNBYQJDPRHX-UHFFFAOYSA-N 1 2 362.503 2.192 20 30 FEEDLO N#Cc1cc(NC(=O)N[C@@H]2Cc3c[nH+]cn3C2)ccc1OC(F)(F)F ZINC000603008480 673915644 /nfs/dbraw/zinc/91/56/44/673915644.db2.gz RDBZKRXSEJUUAU-LLVKDONJSA-N 1 2 351.288 2.400 20 30 FEEDLO CCOc1cc(Br)ccc1NC[C@@H](O)C[N@H+](C)CCC#N ZINC000819461598 675292200 /nfs/dbraw/zinc/29/22/00/675292200.db2.gz ZPTPKLYGAYUJIP-CYBMUJFWSA-N 1 2 356.264 2.466 20 30 FEEDLO CCOc1cc(Br)ccc1NC[C@@H](O)C[N@@H+](C)CCC#N ZINC000819461598 675292202 /nfs/dbraw/zinc/29/22/02/675292202.db2.gz ZPTPKLYGAYUJIP-CYBMUJFWSA-N 1 2 356.264 2.466 20 30 FEEDLO COc1cc(OC)c(NC[C@H](O)C[N@H+](C)CCC#N)cc1Br ZINC000819474567 675293237 /nfs/dbraw/zinc/29/32/37/675293237.db2.gz ZWIHOSODBTZSCA-NSHDSACASA-N 1 2 372.263 2.085 20 30 FEEDLO COc1cc(OC)c(NC[C@H](O)C[N@@H+](C)CCC#N)cc1Br ZINC000819474567 675293238 /nfs/dbraw/zinc/29/32/38/675293238.db2.gz ZWIHOSODBTZSCA-NSHDSACASA-N 1 2 372.263 2.085 20 30 FEEDLO C[N@@H+]1CCO[C@@H]([C@H](NC(=O)NCC2(C#N)CC2)c2ccc(Cl)cc2)C1 ZINC000567668602 675310569 /nfs/dbraw/zinc/31/05/69/675310569.db2.gz NZBFMQYROGQJRT-HZPDHXFCSA-N 1 2 362.861 2.315 20 30 FEEDLO C[N@H+]1CCO[C@@H]([C@H](NC(=O)NCC2(C#N)CC2)c2ccc(Cl)cc2)C1 ZINC000567668602 675310574 /nfs/dbraw/zinc/31/05/74/675310574.db2.gz NZBFMQYROGQJRT-HZPDHXFCSA-N 1 2 362.861 2.315 20 30 FEEDLO N#CCc1cccc(S(=O)(=O)NCC[N@@H+]2CCc3ccccc3C2)c1 ZINC000619475277 676379119 /nfs/dbraw/zinc/37/91/19/676379119.db2.gz HNXRYTSCZBWBJB-UHFFFAOYSA-N 1 2 355.463 2.089 20 30 FEEDLO N#CCc1cccc(S(=O)(=O)NCC[N@H+]2CCc3ccccc3C2)c1 ZINC000619475277 676379120 /nfs/dbraw/zinc/37/91/20/676379120.db2.gz HNXRYTSCZBWBJB-UHFFFAOYSA-N 1 2 355.463 2.089 20 30 FEEDLO CC#CC[NH2+]Cc1cn(C[C@@H](O)COc2cc(Cl)cc(Cl)c2)nn1 ZINC000641221184 677197234 /nfs/dbraw/zinc/19/72/34/677197234.db2.gz QKWVTUBSZSWMQI-OAHLLOKOSA-N 1 2 369.252 2.138 20 30 FEEDLO C[C@@H]1CC(N=Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)C[N@@H+]1C ZINC000761816240 680732192 /nfs/dbraw/zinc/73/21/92/680732192.db2.gz DZMQPMGWELAMAR-LLVKDONJSA-N 1 2 365.484 2.436 20 30 FEEDLO C[C@@H]1CC(N=Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)C[N@H+]1C ZINC000761816240 680732193 /nfs/dbraw/zinc/73/21/93/680732193.db2.gz DZMQPMGWELAMAR-LLVKDONJSA-N 1 2 365.484 2.436 20 30 FEEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)N1CCC([N@H+](C)CC(F)F)CC1 ZINC000749847108 680080490 /nfs/dbraw/zinc/08/04/90/680080490.db2.gz VNWICISEZHCSQB-QGZVFWFLSA-N 1 2 351.397 2.434 20 30 FEEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)N1CCC([N@@H+](C)CC(F)F)CC1 ZINC000749847108 680080493 /nfs/dbraw/zinc/08/04/93/680080493.db2.gz VNWICISEZHCSQB-QGZVFWFLSA-N 1 2 351.397 2.434 20 30 FEEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@]2(C)C1 ZINC000992956689 680138903 /nfs/dbraw/zinc/13/89/03/680138903.db2.gz KOIJJJJOADNBKB-ACJLOTCBSA-N 1 2 364.877 2.038 20 30 FEEDLO C[NH+](C)[C@H](CNS(=O)(=O)c1cccc(F)c1C#N)c1ccsc1 ZINC000750995437 680145832 /nfs/dbraw/zinc/14/58/32/680145832.db2.gz JAMPXMIOSAFSOB-CQSZACIVSA-N 1 2 353.444 2.340 20 30 FEEDLO CN(C)S(=O)(=O)c1ccc(N[NH+]=C2CCCc3nc(N)ccc32)cc1 ZINC000834980389 680285735 /nfs/dbraw/zinc/28/57/35/680285735.db2.gz XMGUINNUPKXLRX-UHFFFAOYSA-N 1 2 359.455 2.067 20 30 FEEDLO C=C(Br)C[N@@H+]1CCC[C@H]1CNC(=O)[C@]12CCC[C@H]1OCC2 ZINC001028021180 680367680 /nfs/dbraw/zinc/36/76/80/680367680.db2.gz JXBUCVYXZRAMBI-LZWOXQAQSA-N 1 2 357.292 2.435 20 30 FEEDLO C=C(Br)C[N@H+]1CCC[C@H]1CNC(=O)[C@]12CCC[C@H]1OCC2 ZINC001028021180 680367684 /nfs/dbraw/zinc/36/76/84/680367684.db2.gz JXBUCVYXZRAMBI-LZWOXQAQSA-N 1 2 357.292 2.435 20 30 FEEDLO Cc1nsc(N[C@@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@H]2C)c1C#N ZINC001043248412 680569342 /nfs/dbraw/zinc/56/93/42/680569342.db2.gz HEQLPDJVVMRJJM-ZWNOBZJWSA-N 1 2 358.471 2.283 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1C[NH+](CCOC2CCCCCC2)C1 ZINC001043921790 680603051 /nfs/dbraw/zinc/60/30/51/680603051.db2.gz AOFBDUGHLMIWPG-MOPGFXCFSA-N 1 2 350.503 2.460 20 30 FEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCO[C@H]2c2cnn(C)c2)C1 ZINC001007519231 680645883 /nfs/dbraw/zinc/64/58/83/680645883.db2.gz MGMMEGLCIKOQLA-ZACQAIPSSA-N 1 2 366.893 2.221 20 30 FEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCO[C@H]2c2cnn(C)c2)C1 ZINC001007519231 680645886 /nfs/dbraw/zinc/64/58/86/680645886.db2.gz MGMMEGLCIKOQLA-ZACQAIPSSA-N 1 2 366.893 2.221 20 30 FEEDLO CC(C)C[C@@H]1C[C@H]1C(=O)N(C)[C@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001047533595 680665180 /nfs/dbraw/zinc/66/51/80/680665180.db2.gz YOEQGEQFQDBNOJ-ZSGPHXLJSA-N 1 2 361.511 2.305 20 30 FEEDLO CC(C)C[C@@H]1C[C@H]1C(=O)N(C)[C@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001047533595 680665182 /nfs/dbraw/zinc/66/51/82/680665182.db2.gz YOEQGEQFQDBNOJ-ZSGPHXLJSA-N 1 2 361.511 2.305 20 30 FEEDLO COc1ccccc1S(=O)(=O)CCCO[NH+]=C(N)c1ccc(F)cc1 ZINC000766396680 680875814 /nfs/dbraw/zinc/87/58/14/680875814.db2.gz CQOZGJMXVQNNDL-UHFFFAOYSA-N 1 2 366.414 2.335 20 30 FEEDLO C=CC[N@@H+](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000768984728 680967067 /nfs/dbraw/zinc/96/70/67/680967067.db2.gz JKUAUBWELNMSGU-LSDHHAIUSA-N 1 2 358.504 2.061 20 30 FEEDLO C=CC[N@H+](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000768984728 680967069 /nfs/dbraw/zinc/96/70/69/680967069.db2.gz JKUAUBWELNMSGU-LSDHHAIUSA-N 1 2 358.504 2.061 20 30 FEEDLO C#CC[C@H]([NH2+][C@@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1)C(=O)OC ZINC000843411221 681002565 /nfs/dbraw/zinc/00/25/65/681002565.db2.gz JOVOHZHKILOBNS-QXSJWSMHSA-N 1 2 350.459 2.177 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@@H]1CCC[N@H+](Cc2nncs2)CC1 ZINC000948851990 681601858 /nfs/dbraw/zinc/60/18/58/681601858.db2.gz GNAJTJOUUPURQM-VYDXJSESSA-N 1 2 364.515 2.332 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@@H]1CCC[N@@H+](Cc2nncs2)CC1 ZINC000948851990 681601861 /nfs/dbraw/zinc/60/18/61/681601861.db2.gz GNAJTJOUUPURQM-VYDXJSESSA-N 1 2 364.515 2.332 20 30 FEEDLO CN(C)c1ccc(C=[NH+]NC(=S)NCc2ccc3c(c2)OCO3)cc1 ZINC000916284193 685523223 /nfs/dbraw/zinc/52/32/23/685523223.db2.gz QAMUTXCKXAVBLZ-UHFFFAOYSA-N 1 2 356.451 2.480 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCCC[N@H+]1Cc1nnc(C)s1 ZINC000969028515 682253752 /nfs/dbraw/zinc/25/37/52/682253752.db2.gz WKFIPGRFJKBGRV-OAGGEKHMSA-N 1 2 364.515 2.298 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCCC[N@@H+]1Cc1nnc(C)s1 ZINC000969028515 682253753 /nfs/dbraw/zinc/25/37/53/682253753.db2.gz WKFIPGRFJKBGRV-OAGGEKHMSA-N 1 2 364.515 2.298 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCCCC[N@@H+]1Cc1cnns1 ZINC000969064402 682256228 /nfs/dbraw/zinc/25/62/28/682256228.db2.gz GJWRAPZLPSEKFN-XIRDDKMYSA-N 1 2 364.515 2.380 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCCCC[N@H+]1Cc1cnns1 ZINC000969064402 682256231 /nfs/dbraw/zinc/25/62/31/682256231.db2.gz GJWRAPZLPSEKFN-XIRDDKMYSA-N 1 2 364.515 2.380 20 30 FEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCCO[C@H]2c2nccn2C)C1 ZINC000969879840 682280511 /nfs/dbraw/zinc/28/05/11/682280511.db2.gz WCAJTSBFIMQSNV-NUEKZKHPSA-N 1 2 366.893 2.077 20 30 FEEDLO C[C@@H]1CC[N@H+](Cc2ccc(OCC#N)cc2)C[C@@H]1NC(=O)C(F)(F)F ZINC000852757977 682337542 /nfs/dbraw/zinc/33/75/42/682337542.db2.gz TYEBRRHRKTVHCU-DOMZBBRYSA-N 1 2 355.360 2.478 20 30 FEEDLO C[C@@H]1CC[N@@H+](Cc2ccc(OCC#N)cc2)C[C@@H]1NC(=O)C(F)(F)F ZINC000852757977 682337548 /nfs/dbraw/zinc/33/75/48/682337548.db2.gz TYEBRRHRKTVHCU-DOMZBBRYSA-N 1 2 355.360 2.478 20 30 FEEDLO C#CCCCOc1cccnc1NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000853227982 682394323 /nfs/dbraw/zinc/39/43/23/682394323.db2.gz DQTOLAQNWCCQEE-IBGZPJMESA-N 1 2 361.511 2.494 20 30 FEEDLO C#CCCCOc1cccnc1NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000853228063 682394493 /nfs/dbraw/zinc/39/44/93/682394493.db2.gz DQTOLAQNWCCQEE-LJQANCHMSA-N 1 2 361.511 2.494 20 30 FEEDLO Nc1nc(Cl)c(C=[NH+]Nc2ccnc(Cl)c2)c(N2CCOCC2)n1 ZINC000853394286 682410720 /nfs/dbraw/zinc/41/07/20/682410720.db2.gz KYOPXCKFDDCJGR-UHFFFAOYSA-N 1 2 368.228 2.043 20 30 FEEDLO C#CCC[N@@H+](CCOC)CN1C(=O)N[C@](C)(c2ccc(Cl)s2)C1=O ZINC000853620935 682446597 /nfs/dbraw/zinc/44/65/97/682446597.db2.gz KFPXOQPXVIDJRT-MRXNPFEDSA-N 1 2 369.874 2.098 20 30 FEEDLO C#CCC[N@H+](CCOC)CN1C(=O)N[C@](C)(c2ccc(Cl)s2)C1=O ZINC000853620935 682446598 /nfs/dbraw/zinc/44/65/98/682446598.db2.gz KFPXOQPXVIDJRT-MRXNPFEDSA-N 1 2 369.874 2.098 20 30 FEEDLO C#CCC[NH+]1CCN(c2c(Cl)cc([N+](=O)[O-])cc2C(=O)OC)CC1 ZINC000790265643 682663436 /nfs/dbraw/zinc/66/34/36/682663436.db2.gz OBWOBQJUXQOIOA-UHFFFAOYSA-N 1 2 351.790 2.180 20 30 FEEDLO C#C[C@H](NC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1)C1CCOCC1 ZINC000856111455 682743016 /nfs/dbraw/zinc/74/30/16/682743016.db2.gz SZBOBEGBEOUJAE-RBUKOAKNSA-N 1 2 358.507 2.321 20 30 FEEDLO C[C@](O)(C[NH+]1CCN(c2ccc(C#N)cn2)CC1)C(F)(F)C(F)(F)F ZINC000929327106 683579152 /nfs/dbraw/zinc/57/91/52/683579152.db2.gz DTFSBWSBTXCGCQ-ZDUSSCGKSA-N 1 2 364.318 2.024 20 30 FEEDLO Cc1cc(CN(CCC#N)CC[NH+]2CCOCC2)cnc1Br ZINC000929774847 683637647 /nfs/dbraw/zinc/63/76/47/683637647.db2.gz SEURTCQUVFAGLO-UHFFFAOYSA-N 1 2 367.291 2.200 20 30 FEEDLO Cc1cc(C#N)cc(C)c1C[N@H+](C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000930111609 683680593 /nfs/dbraw/zinc/68/05/93/683680593.db2.gz XRUHHTQBWDQVQT-ROUUACIJSA-N 1 2 362.495 2.343 20 30 FEEDLO Cc1cc(C#N)cc(C)c1C[N@@H+](C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000930111609 683680595 /nfs/dbraw/zinc/68/05/95/683680595.db2.gz XRUHHTQBWDQVQT-ROUUACIJSA-N 1 2 362.495 2.343 20 30 FEEDLO CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H]([NH2+]C[C@H](O)CC2(C#N)CC2)C1 ZINC000863556898 683741936 /nfs/dbraw/zinc/74/19/36/683741936.db2.gz JCNYFTLNDTVYDZ-OLZOCXBDSA-N 1 2 359.417 2.275 20 30 FEEDLO Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000867199020 684224606 /nfs/dbraw/zinc/22/46/06/684224606.db2.gz UHTZXHGAVJKTEV-ZDUSSCGKSA-N 1 2 362.430 2.308 20 30 FEEDLO C#C[C@H](NC(=O)/C=C/C[NH+]1CCOCC1)c1ccc(Br)cc1 ZINC000868619250 684518845 /nfs/dbraw/zinc/51/88/45/684518845.db2.gz JCNKKTFCVCZVFM-CWDCEQMOSA-N 1 2 363.255 2.128 20 30 FEEDLO C[C@H]1C(N=Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)CC[N@@H+]1C ZINC000872355611 684939560 /nfs/dbraw/zinc/93/95/60/684939560.db2.gz YLWLMXXEQUQARM-NSHDSACASA-N 1 2 365.484 2.436 20 30 FEEDLO C[C@H]1C(N=Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)CC[N@H+]1C ZINC000872355611 684939562 /nfs/dbraw/zinc/93/95/62/684939562.db2.gz YLWLMXXEQUQARM-NSHDSACASA-N 1 2 365.484 2.436 20 30 FEEDLO COc1ccccc1CCNC(=O)C[NH2+]Cc1cc(C#N)cnc1Cl ZINC000877496257 686391324 /nfs/dbraw/zinc/39/13/24/686391324.db2.gz OVKAMXYPRLIVOG-UHFFFAOYSA-N 1 2 358.829 2.064 20 30 FEEDLO CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1C[NH+]1CCN(CCC#N)CC1 ZINC000877747816 686449458 /nfs/dbraw/zinc/44/94/58/686449458.db2.gz DQSUWZSJWOYLLB-AWEZNQCLSA-N 1 2 358.433 2.162 20 30 FEEDLO C=CC[C@@H](C)[NH+]1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000877909757 686480018 /nfs/dbraw/zinc/48/00/18/686480018.db2.gz OAWPCBBJODQYEY-CYBMUJFWSA-N 1 2 353.444 2.085 20 30 FEEDLO C[C@@H]1C[NH+](C[C@H](O)c2ccccc2Br)C[C@@H](C)N1CC#N ZINC000878772107 686655145 /nfs/dbraw/zinc/65/51/45/686655145.db2.gz FOWJAOKEXNVAQX-IOASZLSFSA-N 1 2 352.276 2.401 20 30 FEEDLO N#CCn1c(C[N@@H+]2CC[C@H](c3nccs3)C2)nc2ccccc2c1=O ZINC000880319049 687033919 /nfs/dbraw/zinc/03/39/19/687033919.db2.gz SNXBCBMVNMXOIY-ZDUSSCGKSA-N 1 2 351.435 2.366 20 30 FEEDLO N#CCn1c(C[N@H+]2CC[C@H](c3nccs3)C2)nc2ccccc2c1=O ZINC000880319049 687033925 /nfs/dbraw/zinc/03/39/25/687033925.db2.gz SNXBCBMVNMXOIY-ZDUSSCGKSA-N 1 2 351.435 2.366 20 30 FEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H](C)c1cccc(OC(F)(F)F)c1 ZINC000884172341 687807522 /nfs/dbraw/zinc/80/75/22/687807522.db2.gz SQCQAFORXJZMOP-MFKMUULPSA-N 1 2 360.332 2.209 20 30 FEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCc2cc(C(F)(F)F)ccc2C1 ZINC000884439912 687871577 /nfs/dbraw/zinc/87/15/77/687871577.db2.gz TYCDUOUSSUWCJX-AWEZNQCLSA-N 1 2 356.344 2.037 20 30 FEEDLO N#Cc1cc(NC(=O)/C=C\C[NH+]2CCOCC2)ccc1Br ZINC000887995114 688532836 /nfs/dbraw/zinc/53/28/36/688532836.db2.gz YMQNSHOPELEBIO-UPHRSURJSA-N 1 2 350.216 2.148 20 30 FEEDLO C#CC1(O)CC[NH+](Cc2cc(Br)c3c(c2)OCCO3)CC1 ZINC000895382252 689707407 /nfs/dbraw/zinc/70/74/07/689707407.db2.gz AQPZGFOUTKVGDH-UHFFFAOYSA-N 1 2 352.228 2.180 20 30 FEEDLO C#CC[NH+]1CCC(Nc2c(Br)cccc2S(C)(=O)=O)CC1 ZINC000895809140 689774013 /nfs/dbraw/zinc/77/40/13/689774013.db2.gz ZKYBSCFOUVUHQI-UHFFFAOYSA-N 1 2 371.300 2.362 20 30 FEEDLO Cc1nn(CCS(C)(=O)=O)c(C)c1C(=O)/C=C/c1c[nH+]cn1C(C)C ZINC000901485231 690650800 /nfs/dbraw/zinc/65/08/00/690650800.db2.gz HFVNGIVUNLOLJS-VOTSOKGWSA-N 1 2 364.471 2.218 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H]2c3ccccc3CC[C@H]2F)nc1 ZINC000905452624 691120539 /nfs/dbraw/zinc/12/05/39/691120539.db2.gz MGFCGDPQRGLCFO-SJLPKXTDSA-N 1 2 359.426 2.342 20 30 FEEDLO C#CCCCc1nnc(N2CC[NH+](CC#C)CC2)n1Cc1cccs1 ZINC000909918893 691871793 /nfs/dbraw/zinc/87/17/93/691871793.db2.gz MSSUABSBWLDWFN-UHFFFAOYSA-N 1 2 353.495 2.099 20 30 FEEDLO N#Cc1c(Cl)nccc1C(F)(F)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001165035964 721902497 /nfs/dbraw/zinc/90/24/97/721902497.db2.gz FPZQLNCNJLRYCN-GFCCVEGCSA-N 1 2 356.804 2.453 20 30 FEEDLO CC(=O)N1CCC[N@H+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)CC1 ZINC000016443702 539632090 /nfs/dbraw/zinc/63/20/90/539632090.db2.gz AQBXVMAZQBCIGX-UHFFFAOYSA-N 1 2 356.470 2.104 20 30 FEEDLO CC(=O)N1CCC[N@@H+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)CC1 ZINC000016443702 539632091 /nfs/dbraw/zinc/63/20/91/539632091.db2.gz AQBXVMAZQBCIGX-UHFFFAOYSA-N 1 2 356.470 2.104 20 30 FEEDLO N#CCCN(C(=O)CN1CC[NH+](Cc2ccccn2)CC1)c1ccccc1 ZINC000025762152 539768522 /nfs/dbraw/zinc/76/85/22/539768522.db2.gz HNSAPMNLUBDJIL-UHFFFAOYSA-N 1 2 363.465 2.146 20 30 FEEDLO CCC(CC)C(=O)N1CC[NH+](C[C@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000028922115 539839818 /nfs/dbraw/zinc/83/98/18/539839818.db2.gz OBTQLOFDLQDYAL-IBGZPJMESA-N 1 2 373.497 2.073 20 30 FEEDLO Cc1cccc([C@@H](C/N=C/c2c(CO)cnc(C)c2O)[NH+]2CCOCC2)c1 ZINC000032070341 539928437 /nfs/dbraw/zinc/92/84/37/539928437.db2.gz MGVOBBFXGJJHHJ-XLKWYTADSA-N 1 2 369.465 2.389 20 30 FEEDLO C[C@H](C(=O)N(C)Cc1ccccc1)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000045748465 540225000 /nfs/dbraw/zinc/22/50/00/540225000.db2.gz LUNPZCBTUHUVGD-QGZVFWFLSA-N 1 2 363.465 2.122 20 30 FEEDLO C[C@H](Oc1ccccc1C#N)C(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000045888824 540233233 /nfs/dbraw/zinc/23/32/33/540233233.db2.gz SDTQRNMSQZZORM-INIZCTEOSA-N 1 2 350.422 2.065 20 30 FEEDLO COCC[NH+]1CCN(C(=O)c2ccc(COc3ccccc3C#N)o2)CC1 ZINC000048350008 540358531 /nfs/dbraw/zinc/35/85/31/540358531.db2.gz HSGIRFFGNHXGOS-UHFFFAOYSA-N 1 2 369.421 2.134 20 30 FEEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN(Cc2ccc(Br)s2)CC1 ZINC000052659976 540480252 /nfs/dbraw/zinc/48/02/52/540480252.db2.gz VHNZAXKWWHLTGQ-LBPRGKRZSA-N 1 2 372.332 2.319 20 30 FEEDLO Cc1csc(NC(=O)C[N@@H+]2CCCN(c3ccc(C#N)cc3)CC2)n1 ZINC000052800395 540489712 /nfs/dbraw/zinc/48/97/12/540489712.db2.gz TZYMZEXLOCNEQO-UHFFFAOYSA-N 1 2 355.467 2.474 20 30 FEEDLO Cc1csc(NC(=O)C[N@H+]2CCCN(c3ccc(C#N)cc3)CC2)n1 ZINC000052800395 540489716 /nfs/dbraw/zinc/48/97/16/540489716.db2.gz TZYMZEXLOCNEQO-UHFFFAOYSA-N 1 2 355.467 2.474 20 30 FEEDLO N#Cc1ccc(CCC(=O)N2CCN(Cc3cn4ccccc4[nH+]3)CC2)cc1 ZINC000054231574 540577120 /nfs/dbraw/zinc/57/71/20/540577120.db2.gz OANJSAOCTIISPU-UHFFFAOYSA-N 1 2 373.460 2.483 20 30 FEEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NCCCCn1cc[nH+]c1 ZINC000054879759 540615458 /nfs/dbraw/zinc/61/54/58/540615458.db2.gz AAZBRAIAEYBTAY-UHFFFAOYSA-N 1 2 369.425 2.077 20 30 FEEDLO N#Cc1ccc(OCC(=O)Nc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000055816180 540679302 /nfs/dbraw/zinc/67/93/02/540679302.db2.gz UIHLHRQPPGHAGC-UHFFFAOYSA-N 1 2 351.406 2.408 20 30 FEEDLO C[N@@H+](Cc1nccn1CC(F)(F)F)C[C@H](O)COc1ccc(C#N)cc1 ZINC000057845214 540819543 /nfs/dbraw/zinc/81/95/43/540819543.db2.gz KMODLPSZVBZXAK-AWEZNQCLSA-N 1 2 368.359 2.189 20 30 FEEDLO C[N@H+](Cc1nccn1CC(F)(F)F)C[C@H](O)COc1ccc(C#N)cc1 ZINC000057845214 540819547 /nfs/dbraw/zinc/81/95/47/540819547.db2.gz KMODLPSZVBZXAK-AWEZNQCLSA-N 1 2 368.359 2.189 20 30 FEEDLO Cc1c(NC(=O)[C@@H](C)[NH+]2CCC(C#N)CC2)c(=O)n(-c2ccccc2)n1C ZINC000057906306 540822916 /nfs/dbraw/zinc/82/29/16/540822916.db2.gz VTIZBZFVLZEBMT-OAHLLOKOSA-N 1 2 367.453 2.047 20 30 FEEDLO C[C@H](C(=O)N(C)Cc1ccccc1)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000060481705 541114129 /nfs/dbraw/zinc/11/41/29/541114129.db2.gz OHTVTFFPDIWVAA-QGZVFWFLSA-N 1 2 363.465 2.122 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Cc1c(F)cccc1Cl ZINC000060633923 541119881 /nfs/dbraw/zinc/11/98/81/541119881.db2.gz PEOVQRZXSYQIEK-UHFFFAOYSA-N 1 2 353.825 2.096 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Cc1ccc2c(c1)CCCC2 ZINC000060794110 541121844 /nfs/dbraw/zinc/12/18/44/541121844.db2.gz PSOHLRJDJSLKKG-UHFFFAOYSA-N 1 2 355.482 2.182 20 30 FEEDLO COc1ccc(C(N)=[NH+]OCC(=O)N[C@@H](C)c2ccccc2)cc1OC ZINC000060552715 541116832 /nfs/dbraw/zinc/11/68/32/541116832.db2.gz OULSYUJRLHOJAP-ZDUSSCGKSA-N 1 2 357.410 2.218 20 30 FEEDLO N#Cc1ccccc1S(=O)(=O)N1CC[NH+](CCc2ccccc2F)CC1 ZINC000062089758 541144303 /nfs/dbraw/zinc/14/43/03/541144303.db2.gz WDOFHBQWLQDPLF-UHFFFAOYSA-N 1 2 373.453 2.246 20 30 FEEDLO COc1cccc(NC(=O)C[N@@H+]2CCCN(c3ncccc3C#N)CC2)c1 ZINC000064634480 541213622 /nfs/dbraw/zinc/21/36/22/541213622.db2.gz WHERNPOQSCNFAG-UHFFFAOYSA-N 1 2 365.437 2.113 20 30 FEEDLO COc1cccc(NC(=O)C[N@H+]2CCCN(c3ncccc3C#N)CC2)c1 ZINC000064634480 541213624 /nfs/dbraw/zinc/21/36/24/541213624.db2.gz WHERNPOQSCNFAG-UHFFFAOYSA-N 1 2 365.437 2.113 20 30 FEEDLO CCC[N@H+](CC(=O)NCC#N)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000066472471 541323313 /nfs/dbraw/zinc/32/33/13/541323313.db2.gz CKPXJURVARMSAN-UHFFFAOYSA-N 1 2 357.241 2.284 20 30 FEEDLO CCC[N@@H+](CC(=O)NCC#N)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000066472471 541323315 /nfs/dbraw/zinc/32/33/15/541323315.db2.gz CKPXJURVARMSAN-UHFFFAOYSA-N 1 2 357.241 2.284 20 30 FEEDLO N#Cc1c(C[N@H+]2CCCC[C@H]2C(=O)N2CCOCC2)cn2ccccc12 ZINC000067230096 541435250 /nfs/dbraw/zinc/43/52/50/541435250.db2.gz RBJOTZXSQIJAJN-IBGZPJMESA-N 1 2 352.438 2.024 20 30 FEEDLO N#Cc1c(C[N@@H+]2CCCC[C@H]2C(=O)N2CCOCC2)cn2ccccc12 ZINC000067230096 541435254 /nfs/dbraw/zinc/43/52/54/541435254.db2.gz RBJOTZXSQIJAJN-IBGZPJMESA-N 1 2 352.438 2.024 20 30 FEEDLO C=CC[N@@H+](CC(=O)N[C@@H](C)C(=O)N1CCCCC1)Cc1cccc(C#N)c1 ZINC000068826877 541633119 /nfs/dbraw/zinc/63/31/19/541633119.db2.gz KKVASDGRHAXVJV-KRWDZBQOSA-N 1 2 368.481 2.063 20 30 FEEDLO C=CC[N@H+](CC(=O)N[C@@H](C)C(=O)N1CCCCC1)Cc1cccc(C#N)c1 ZINC000068826877 541633122 /nfs/dbraw/zinc/63/31/22/541633122.db2.gz KKVASDGRHAXVJV-KRWDZBQOSA-N 1 2 368.481 2.063 20 30 FEEDLO N#CCOc1ccc(CNC(=O)NCc2ccc(-n3cc[nH+]c3)nc2)cc1 ZINC000069262358 541672483 /nfs/dbraw/zinc/67/24/83/541672483.db2.gz FFGQAEUZJWERRN-UHFFFAOYSA-N 1 2 362.393 2.169 20 30 FEEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCC[C@@]2(CNC(=O)C2)C1 ZINC000072832533 541875902 /nfs/dbraw/zinc/87/59/02/541875902.db2.gz NBHBBTKURKFJEK-HXPMCKFVSA-N 1 2 372.494 2.038 20 30 FEEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCC[C@@]2(CNC(=O)C2)C1 ZINC000072832533 541875904 /nfs/dbraw/zinc/87/59/04/541875904.db2.gz NBHBBTKURKFJEK-HXPMCKFVSA-N 1 2 372.494 2.038 20 30 FEEDLO C[N@@H+]1CCN(S(=O)(=O)CC2(C#N)CCCC2)C[C@@H]1Cc1ccccc1 ZINC000551220127 674132193 /nfs/dbraw/zinc/13/21/93/674132193.db2.gz FNBHAYFXRPMXBY-SFHVURJKSA-N 1 2 361.511 2.259 20 30 FEEDLO C[N@H+]1CCN(S(=O)(=O)CC2(C#N)CCCC2)C[C@@H]1Cc1ccccc1 ZINC000551220127 674132195 /nfs/dbraw/zinc/13/21/95/674132195.db2.gz FNBHAYFXRPMXBY-SFHVURJKSA-N 1 2 361.511 2.259 20 30 FEEDLO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@@H+]2CC[C@@H](O)C2)c1C#N ZINC000074324383 542069845 /nfs/dbraw/zinc/06/98/45/542069845.db2.gz KDCJTACEPSZFLK-MRXNPFEDSA-N 1 2 356.401 2.110 20 30 FEEDLO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@H+]2CC[C@@H](O)C2)c1C#N ZINC000074324383 542069849 /nfs/dbraw/zinc/06/98/49/542069849.db2.gz KDCJTACEPSZFLK-MRXNPFEDSA-N 1 2 356.401 2.110 20 30 FEEDLO CC(C)OCC[NH+]1CCN(C(=O)CSCc2ccc(C#N)cc2)CC1 ZINC000074389551 542077779 /nfs/dbraw/zinc/07/77/79/542077779.db2.gz MQPMHEKNTYGOPO-UHFFFAOYSA-N 1 2 361.511 2.361 20 30 FEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN(C(=O)c2ccc(C)cc2)CC1 ZINC000076968163 542336752 /nfs/dbraw/zinc/33/67/52/542336752.db2.gz CHWUTDBDNTUMBH-GOSISDBHSA-N 1 2 355.482 2.342 20 30 FEEDLO CCOc1cc(F)ccc1NC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000080169456 542570941 /nfs/dbraw/zinc/57/09/41/542570941.db2.gz FXEPVSISEOOTEB-UHFFFAOYSA-N 1 2 364.421 2.304 20 30 FEEDLO CCN(C[C@@H]1COc2ccccc2O1)C(=O)C[N@H+](CCC#N)CC1CC1 ZINC000081514708 542662252 /nfs/dbraw/zinc/66/22/52/542662252.db2.gz BFHIHCRFGNUJEX-QGZVFWFLSA-N 1 2 357.454 2.301 20 30 FEEDLO CCN(C[C@@H]1COc2ccccc2O1)C(=O)C[N@@H+](CCC#N)CC1CC1 ZINC000081514708 542662257 /nfs/dbraw/zinc/66/22/57/542662257.db2.gz BFHIHCRFGNUJEX-QGZVFWFLSA-N 1 2 357.454 2.301 20 30 FEEDLO C=CCOc1ccc(C(=O)N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)cc1 ZINC000088305453 542750299 /nfs/dbraw/zinc/75/02/99/542750299.db2.gz SJWFLPFXJGQTGL-KRWDZBQOSA-N 1 2 371.481 2.020 20 30 FEEDLO N#Cc1ccc(Cl)c(NC(=O)C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000088783495 542757024 /nfs/dbraw/zinc/75/70/24/542757024.db2.gz DYEKIAQPXYRWPY-GFCCVEGCSA-N 1 2 357.801 2.279 20 30 FEEDLO CN(CCC#N)C(=O)CC[N@@H+]1CCC[C@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000092807681 542887752 /nfs/dbraw/zinc/88/77/52/542887752.db2.gz GGHPHHZLHYGKKW-INIZCTEOSA-N 1 2 352.442 2.371 20 30 FEEDLO CN(CCC#N)C(=O)CC[N@H+]1CCC[C@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000092807681 542887755 /nfs/dbraw/zinc/88/77/55/542887755.db2.gz GGHPHHZLHYGKKW-INIZCTEOSA-N 1 2 352.442 2.371 20 30 FEEDLO CN(CCC#N)C(=O)CC[N@@H+]1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000092807681 542887756 /nfs/dbraw/zinc/88/77/56/542887756.db2.gz GGHPHHZLHYGKKW-INIZCTEOSA-N 1 2 352.442 2.371 20 30 FEEDLO CN(CCC#N)C(=O)CC[N@H+]1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000092807681 542887759 /nfs/dbraw/zinc/88/77/59/542887759.db2.gz GGHPHHZLHYGKKW-INIZCTEOSA-N 1 2 352.442 2.371 20 30 FEEDLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000093103272 542909167 /nfs/dbraw/zinc/90/91/67/542909167.db2.gz CPTMQOKPVVRCFE-QUCCMNQESA-N 1 2 366.417 2.245 20 30 FEEDLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+]1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000093103272 542909170 /nfs/dbraw/zinc/90/91/70/542909170.db2.gz CPTMQOKPVVRCFE-QUCCMNQESA-N 1 2 366.417 2.245 20 30 FEEDLO COc1cc(C[NH+]2CCN(Cc3ccc(C#N)o3)CC2)cc(OC)c1OC ZINC000093760492 542939698 /nfs/dbraw/zinc/93/96/98/542939698.db2.gz HPWYEXIGCDNAHH-UHFFFAOYSA-N 1 2 371.437 2.495 20 30 FEEDLO COc1cc(CN2CC[NH+](Cc3ccc(C#N)o3)CC2)cc(OC)c1OC ZINC000093760492 542939701 /nfs/dbraw/zinc/93/97/01/542939701.db2.gz HPWYEXIGCDNAHH-UHFFFAOYSA-N 1 2 371.437 2.495 20 30 FEEDLO CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000106581852 543239569 /nfs/dbraw/zinc/23/95/69/543239569.db2.gz CHMAWCHAZSQSCP-QGZVFWFLSA-N 1 2 357.502 2.114 20 30 FEEDLO C=CC[N@@H+](C[C@H](O)c1ccc(Br)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000108871195 543306413 /nfs/dbraw/zinc/30/64/13/543306413.db2.gz BSWLAQXWPKBCLI-CABCVRRESA-N 1 2 374.300 2.158 20 30 FEEDLO C=CC[N@H+](C[C@H](O)c1ccc(Br)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000108871195 543306416 /nfs/dbraw/zinc/30/64/16/543306416.db2.gz BSWLAQXWPKBCLI-CABCVRRESA-N 1 2 374.300 2.158 20 30 FEEDLO Cc1cc(C)n(-c2ccc(C(N)=[NH+]OCc3noc(C(C)(C)C)n3)cn2)n1 ZINC000109062848 543313153 /nfs/dbraw/zinc/31/31/53/543313153.db2.gz FQMNPQUQYDMZSN-UHFFFAOYSA-N 1 2 369.429 2.402 20 30 FEEDLO C[C@@H]1CO[C@@H](c2ccccc2)[C@H](C)[N@@H+]1CC(=O)N(CCC#N)CCC#N ZINC000110033637 543347148 /nfs/dbraw/zinc/34/71/48/543347148.db2.gz BWVGBXNKEBBOOB-FUHIMQAGSA-N 1 2 354.454 2.493 20 30 FEEDLO C[C@@H]1CO[C@@H](c2ccccc2)[C@H](C)[N@H+]1CC(=O)N(CCC#N)CCC#N ZINC000110033637 543347150 /nfs/dbraw/zinc/34/71/50/543347150.db2.gz BWVGBXNKEBBOOB-FUHIMQAGSA-N 1 2 354.454 2.493 20 30 FEEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](N2CCCC2=O)C1 ZINC000111292611 543393941 /nfs/dbraw/zinc/39/39/41/543393941.db2.gz LRPYWVDCWOQRQF-HNNXBMFYSA-N 1 2 372.494 2.328 20 30 FEEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@H](N2CCCC2=O)C1 ZINC000111292611 543393944 /nfs/dbraw/zinc/39/39/44/543393944.db2.gz LRPYWVDCWOQRQF-HNNXBMFYSA-N 1 2 372.494 2.328 20 30 FEEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000111770672 543415282 /nfs/dbraw/zinc/41/52/82/543415282.db2.gz DBZGRSJXDYBYFS-KRWDZBQOSA-N 1 2 364.449 2.324 20 30 FEEDLO N#Cc1ccccc1OC1CCC(NC(=O)NCCn2cc[nH+]c2)CC1 ZINC000111788619 543415374 /nfs/dbraw/zinc/41/53/74/543415374.db2.gz QZFHPOOCQUIKAZ-UHFFFAOYSA-N 1 2 353.426 2.444 20 30 FEEDLO Cc1nc(CC(N)=[NH+]O[C@@H](C)C(=O)NCc2ccccc2F)cs1 ZINC000114630153 543526792 /nfs/dbraw/zinc/52/67/92/543526792.db2.gz QCLANLHEAKFJQL-JTQLQIEISA-N 1 2 350.419 2.127 20 30 FEEDLO Cc1ccc(C#N)cc1S(=O)(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000114736331 543534469 /nfs/dbraw/zinc/53/44/69/543534469.db2.gz COGRAMYOUXQAEC-UHFFFAOYSA-N 1 2 355.463 2.203 20 30 FEEDLO Cc1ccc(C#N)cc1S(=O)(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000114736331 543534471 /nfs/dbraw/zinc/53/44/71/543534471.db2.gz COGRAMYOUXQAEC-UHFFFAOYSA-N 1 2 355.463 2.203 20 30 FEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000115570929 543574881 /nfs/dbraw/zinc/57/48/81/543574881.db2.gz XSTORIUFBYZCMF-SJLPKXTDSA-N 1 2 356.470 2.122 20 30 FEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000115570929 543574884 /nfs/dbraw/zinc/57/48/84/543574884.db2.gz XSTORIUFBYZCMF-SJLPKXTDSA-N 1 2 356.470 2.122 20 30 FEEDLO CCCc1ccc([C@@H](C)[N@H+](CC(N)=O)CC(=O)N[C@@](C)(C#N)C2CC2)cc1 ZINC000116785128 543615755 /nfs/dbraw/zinc/61/57/55/543615755.db2.gz WYADOFHUYOKNOQ-VFNWGFHPSA-N 1 2 370.497 2.296 20 30 FEEDLO CCCc1ccc([C@@H](C)[N@@H+](CC(N)=O)CC(=O)N[C@@](C)(C#N)C2CC2)cc1 ZINC000116785128 543615757 /nfs/dbraw/zinc/61/57/57/543615757.db2.gz WYADOFHUYOKNOQ-VFNWGFHPSA-N 1 2 370.497 2.296 20 30 FEEDLO C=CCOc1ccc(CN2CC[NH+](CC(=O)NC3CC3)CC2)cc1Cl ZINC000120742125 543684472 /nfs/dbraw/zinc/68/44/72/543684472.db2.gz GGZFVBFDDCXZAB-UHFFFAOYSA-N 1 2 363.889 2.301 20 30 FEEDLO Cc1nn(CCC#N)c(C)c1CCC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000120930686 543686392 /nfs/dbraw/zinc/68/63/92/543686392.db2.gz SIUSJPXFTUXZNM-GOSISDBHSA-N 1 2 367.453 2.421 20 30 FEEDLO C[C@H]1CCC[C@@H](NC(=O)C[NH+]2CCN(CC#Cc3ccc(F)cc3)CC2)C1 ZINC000121204455 543690926 /nfs/dbraw/zinc/69/09/26/543690926.db2.gz GOZVWAIZFMKXBN-GHTZIAJQSA-N 1 2 371.500 2.490 20 30 FEEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000119619472 543670222 /nfs/dbraw/zinc/67/02/22/543670222.db2.gz ZAUSBHDMYXBIDQ-AZUAARDMSA-N 1 2 352.482 2.458 20 30 FEEDLO C=CCN(C(=O)Nc1cccc(-c2[nH+]ccn2C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000120488059 543680573 /nfs/dbraw/zinc/68/05/73/543680573.db2.gz SRMSDBFPNCXOEW-MRXNPFEDSA-N 1 2 374.466 2.294 20 30 FEEDLO C=CCNC(=O)C[NH+]1CCN(Cc2cc(C(F)(F)F)ccc2F)CC1 ZINC000122241485 543705189 /nfs/dbraw/zinc/70/51/89/543705189.db2.gz UEITXCVJZSQVAS-UHFFFAOYSA-N 1 2 359.367 2.264 20 30 FEEDLO C=CCc1cc(C[NH+]2CCN(c3nccc(OC)n3)CC2)cc(OC)c1O ZINC000129588902 544119702 /nfs/dbraw/zinc/11/97/02/544119702.db2.gz DSYLBMFQQIPAGP-UHFFFAOYSA-N 1 2 370.453 2.250 20 30 FEEDLO CCC(=O)N[C@H]1CCC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000130450873 544151546 /nfs/dbraw/zinc/15/15/46/544151546.db2.gz ODZDKJRVRVYNSY-RDJZCZTQSA-N 1 2 374.460 2.451 20 30 FEEDLO CCC(=O)N[C@H]1CCC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000130450873 544151549 /nfs/dbraw/zinc/15/15/49/544151549.db2.gz ODZDKJRVRVYNSY-RDJZCZTQSA-N 1 2 374.460 2.451 20 30 FEEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN(Cc2cc(Cl)ccc2OC)CC1 ZINC000130590868 544156841 /nfs/dbraw/zinc/15/68/41/544156841.db2.gz CZOKJNDRYWIJDM-CQSZACIVSA-N 1 2 351.878 2.157 20 30 FEEDLO COc1ccc(C[NH+]2CCN(Cc3nccn3C(F)F)CC2)cc1C#N ZINC000135204498 544338000 /nfs/dbraw/zinc/33/80/00/544338000.db2.gz LHDHVXPVORHBAT-UHFFFAOYSA-N 1 2 361.396 2.476 20 30 FEEDLO N#Cc1ccc(OC[C@H](O)C[NH+]2CCN(CCc3cccs3)CC2)cc1 ZINC000141417518 544412991 /nfs/dbraw/zinc/41/29/91/544412991.db2.gz BUTYKLPWTVDQKO-GOSISDBHSA-N 1 2 371.506 2.220 20 30 FEEDLO CC[C@H](C#N)Oc1cc(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)ccc1OC ZINC000152596906 544672473 /nfs/dbraw/zinc/67/24/73/544672473.db2.gz XXGVPZNDAWIDLM-NVXWUHKLSA-N 1 2 368.437 2.451 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[NH+]2CCC(C3CCOCC3)CC2)cc1 ZINC000153522675 544787062 /nfs/dbraw/zinc/78/70/62/544787062.db2.gz AYHFORVMUQTSRQ-UHFFFAOYSA-N 1 2 362.495 2.471 20 30 FEEDLO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000181936924 327753782 /nfs/dbraw/zinc/75/37/82/327753782.db2.gz MWBROFIBGSWRSB-UHFFFAOYSA-N 1 2 368.393 2.376 20 30 FEEDLO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000191230627 328255236 /nfs/dbraw/zinc/25/52/36/328255236.db2.gz VZFPIJTTXDCSEJ-VYDXJSESSA-N 1 2 352.394 2.382 20 30 FEEDLO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000191230627 328255237 /nfs/dbraw/zinc/25/52/37/328255237.db2.gz VZFPIJTTXDCSEJ-VYDXJSESSA-N 1 2 352.394 2.382 20 30 FEEDLO Cn1cc(C[NH+]2CCN(C(=O)Cc3ccccc3Cl)CC2)cc1C#N ZINC000191277324 328257816 /nfs/dbraw/zinc/25/78/16/328257816.db2.gz MEIGJMFADFXGRD-UHFFFAOYSA-N 1 2 356.857 2.437 20 30 FEEDLO CCO[C@H](C)c1noc(CN2CC[NH+](Cc3ccc(C#N)c(F)c3)CC2)n1 ZINC000192044762 328296431 /nfs/dbraw/zinc/29/64/31/328296431.db2.gz NMTYLMSDRHGXRW-CQSZACIVSA-N 1 2 373.432 2.496 20 30 FEEDLO C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)c1ccnc(C#N)c1 ZINC000193139060 328359240 /nfs/dbraw/zinc/35/92/40/328359240.db2.gz FLBNBDJMUWJVGO-QGZVFWFLSA-N 1 2 364.449 2.316 20 30 FEEDLO C=Cn1cc(C[NH+]2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cn1 ZINC000193717765 328391385 /nfs/dbraw/zinc/39/13/85/328391385.db2.gz QTKUGFOEMDFSIC-UHFFFAOYSA-N 1 2 350.382 2.425 20 30 FEEDLO N#Cc1ccc(N2CC[NH+](Cc3nc(-c4ccc(F)cc4)no3)CC2)nc1 ZINC000193772437 328394512 /nfs/dbraw/zinc/39/45/12/328394512.db2.gz KNZULNUIHNGJLD-UHFFFAOYSA-N 1 2 364.384 2.465 20 30 FEEDLO CC(C)C(=O)N1CCC[N@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000118830734 326105822 /nfs/dbraw/zinc/10/58/22/326105822.db2.gz UMUUTBCOWRXUMD-UHFFFAOYSA-N 1 2 362.861 2.340 20 30 FEEDLO CC(C)C(=O)N1CCC[N@@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000118830734 326105823 /nfs/dbraw/zinc/10/58/23/326105823.db2.gz UMUUTBCOWRXUMD-UHFFFAOYSA-N 1 2 362.861 2.340 20 30 FEEDLO COc1ccc(OC)c2c1CN(Cc1c[nH+]c3ccc(C#N)cn13)C[C@H]2O ZINC000121093256 326312811 /nfs/dbraw/zinc/31/28/11/326312811.db2.gz VWQIWNDSXBXOSR-MRXNPFEDSA-N 1 2 364.405 2.272 20 30 FEEDLO Cc1cccc(S(=O)(=O)N2CCc3c([nH+]c(C(C)C)n3C)C2)c1C#N ZINC000157539975 326868091 /nfs/dbraw/zinc/86/80/91/326868091.db2.gz ZYYJLIRENCACJZ-UHFFFAOYSA-N 1 2 358.467 2.471 20 30 FEEDLO COc1ccc(COC[C@H](O)C[NH+]2CC(Oc3ccc(C#N)cc3)C2)cc1 ZINC000158584556 326900573 /nfs/dbraw/zinc/90/05/73/326900573.db2.gz QPVOFTHHPKVFLI-GOSISDBHSA-N 1 2 368.433 2.208 20 30 FEEDLO N#Cc1ccc(C(=O)NCC[NH+]2CCN(c3cccc(Cl)c3)CC2)nc1 ZINC000161561619 327002735 /nfs/dbraw/zinc/00/27/35/327002735.db2.gz JBBKQQSAAWEVPW-UHFFFAOYSA-N 1 2 369.856 2.159 20 30 FEEDLO N#Cc1ccccc1N1CC[NH+]([C@H]2CC(=O)N(Cc3ccccc3)C2=O)CC1 ZINC000171118837 327119230 /nfs/dbraw/zinc/11/92/30/327119230.db2.gz LNYZEGXXFPBLQE-FQEVSTJZSA-N 1 2 374.444 2.008 20 30 FEEDLO CC[N@@H+]1CCO[C@@H](C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)C1 ZINC000174057071 327303931 /nfs/dbraw/zinc/30/39/31/327303931.db2.gz JCGQIJWMOAZLRJ-MRXNPFEDSA-N 1 2 356.451 2.265 20 30 FEEDLO CC[N@H+]1CCO[C@@H](C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)C1 ZINC000174057071 327303932 /nfs/dbraw/zinc/30/39/32/327303932.db2.gz JCGQIJWMOAZLRJ-MRXNPFEDSA-N 1 2 356.451 2.265 20 30 FEEDLO Cc1ccc(NC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)c(C)[nH+]1 ZINC000176502124 327459741 /nfs/dbraw/zinc/45/97/41/327459741.db2.gz RVRIYLHBSOPNCV-CYBMUJFWSA-N 1 2 351.414 2.103 20 30 FEEDLO CCOC(=O)CC1CC[NH+]([C@@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000267558709 329338118 /nfs/dbraw/zinc/33/81/18/329338118.db2.gz GRKHNICURKZHHO-OAHLLOKOSA-N 1 2 361.467 2.390 20 30 FEEDLO C[C@H]([C@H](C)NC(=O)N[C@@H]1CCCc2cc(C#N)ccc21)[NH+]1CCOCC1 ZINC000416696702 330261182 /nfs/dbraw/zinc/26/11/82/330261182.db2.gz VRKYPITVBDHIHZ-QMTMVMCOSA-N 1 2 356.470 2.344 20 30 FEEDLO N#CCNC(=O)C[N@H+]1CCCC[C@H]1Cc1ccccc1Br ZINC000555773333 674375872 /nfs/dbraw/zinc/37/58/72/674375872.db2.gz MUSAZSWNWZQJNM-AWEZNQCLSA-N 1 2 350.260 2.486 20 30 FEEDLO N#CCNC(=O)C[N@@H+]1CCCC[C@H]1Cc1ccccc1Br ZINC000555773333 674375875 /nfs/dbraw/zinc/37/58/75/674375875.db2.gz MUSAZSWNWZQJNM-AWEZNQCLSA-N 1 2 350.260 2.486 20 30 FEEDLO N#Cc1ccc([C@@H](O)C[N@@H+]2CCN(Cc3cccc(F)c3)C(=O)C2)cc1 ZINC000156514031 545632519 /nfs/dbraw/zinc/63/25/19/545632519.db2.gz BADGCVNRZHGWLD-IBGZPJMESA-N 1 2 353.397 2.075 20 30 FEEDLO N#Cc1ccc([C@@H](O)C[N@H+]2CCN(Cc3cccc(F)c3)C(=O)C2)cc1 ZINC000156514031 545632522 /nfs/dbraw/zinc/63/25/22/545632522.db2.gz BADGCVNRZHGWLD-IBGZPJMESA-N 1 2 353.397 2.075 20 30 FEEDLO CC[N@H+](CC#Cc1ccc(OC(F)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000157434107 545741025 /nfs/dbraw/zinc/74/10/25/545741025.db2.gz GPISRFAMDQBFQD-CQSZACIVSA-N 1 2 361.385 2.446 20 30 FEEDLO CC[N@@H+](CC#Cc1ccc(OC(F)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000157434107 545741028 /nfs/dbraw/zinc/74/10/28/545741028.db2.gz GPISRFAMDQBFQD-CQSZACIVSA-N 1 2 361.385 2.446 20 30 FEEDLO NC(=[NH+]OCC(=O)Nc1ccnn1C1CCCC1)c1ccc2c(c1)CCO2 ZINC000158228042 545838187 /nfs/dbraw/zinc/83/81/87/545838187.db2.gz SFDXWMUXQRZYPO-UHFFFAOYSA-N 1 2 369.425 2.209 20 30 FEEDLO C=CCN(CCOC)C(=O)N[C@@H](C[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000478432958 561166692 /nfs/dbraw/zinc/16/66/92/561166692.db2.gz IKXOTOOHDBQJLW-IBGZPJMESA-N 1 2 361.486 2.212 20 30 FEEDLO CC(C)CCn1ccc(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)n1 ZINC000159993215 545998204 /nfs/dbraw/zinc/99/82/04/545998204.db2.gz KIKICQBDFPQGEJ-UHFFFAOYSA-N 1 2 362.478 2.009 20 30 FEEDLO C=C[C@H](CC(=O)N1CC[C@H](OCC[NH+]2CCOCC2)C1)c1ccccc1 ZINC000478872661 561176687 /nfs/dbraw/zinc/17/66/87/561176687.db2.gz KPFYBISZFUPJDO-QUCCMNQESA-N 1 2 358.482 2.296 20 30 FEEDLO Cc1nc(CC(N)=[NH+]OCCCS(=O)(=O)c2cccc(C)c2)cs1 ZINC000165878795 546154455 /nfs/dbraw/zinc/15/44/55/546154455.db2.gz OOYPCQKLRUIHEU-UHFFFAOYSA-N 1 2 367.496 2.455 20 30 FEEDLO CC[C@H](C)NC(=O)CO[NH+]=C(N)c1cccc(Cn2nc(C)cc2C)c1 ZINC000170641670 546168217 /nfs/dbraw/zinc/16/82/17/546168217.db2.gz WQRUNEOFXJMAAI-ZDUSSCGKSA-N 1 2 357.458 2.100 20 30 FEEDLO N#CCCn1ccc(NC(=O)NCCc2[nH+]ccn2Cc2ccccc2)n1 ZINC000173354561 546279363 /nfs/dbraw/zinc/27/93/63/546279363.db2.gz PGUSWNFDWFQOIT-UHFFFAOYSA-N 1 2 363.425 2.406 20 30 FEEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000174753022 546303284 /nfs/dbraw/zinc/30/32/84/546303284.db2.gz PTXCJEKNORBWMW-BLLLJJGKSA-N 1 2 373.350 2.460 20 30 FEEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000174753022 546303287 /nfs/dbraw/zinc/30/32/87/546303287.db2.gz PTXCJEKNORBWMW-BLLLJJGKSA-N 1 2 373.350 2.460 20 30 FEEDLO CC(C)NC(=O)C[NH+]1CCN(CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000176987944 546519988 /nfs/dbraw/zinc/51/99/88/546519988.db2.gz DRIOLCIDLOELAD-UHFFFAOYSA-N 1 2 367.415 2.199 20 30 FEEDLO CCS(=O)(=O)N(C)C1CC[NH+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000177155741 546557401 /nfs/dbraw/zinc/55/74/01/546557401.db2.gz TYINIQVUMRNKJW-UHFFFAOYSA-N 1 2 354.903 2.437 20 30 FEEDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)NCc2ccc(OCC#N)cc2)C1 ZINC000178065894 546733967 /nfs/dbraw/zinc/73/39/67/546733967.db2.gz FSJNEUYRIHYZCQ-QGZVFWFLSA-N 1 2 367.453 2.487 20 30 FEEDLO N#Cc1c(F)cccc1OCC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000178994422 546884369 /nfs/dbraw/zinc/88/43/69/546884369.db2.gz RBVMRCNKAYCOAW-UHFFFAOYSA-N 1 2 359.426 2.482 20 30 FEEDLO C=CCCC[C@@H](C)NC(=O)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000180966132 547220687 /nfs/dbraw/zinc/22/06/87/547220687.db2.gz YXDHYSNTBOBHMF-CQSZACIVSA-N 1 2 360.458 2.026 20 30 FEEDLO COc1ccc(C[N@H+](Cc2cc(C#N)n(C)c2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000483147780 561268827 /nfs/dbraw/zinc/26/88/27/561268827.db2.gz CJKBFADNRLFGAK-KRWDZBQOSA-N 1 2 373.478 2.095 20 30 FEEDLO COc1ccc(C[N@@H+](Cc2cc(C#N)n(C)c2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000483147780 561268828 /nfs/dbraw/zinc/26/88/28/561268828.db2.gz CJKBFADNRLFGAK-KRWDZBQOSA-N 1 2 373.478 2.095 20 30 FEEDLO C=CCCC[C@@H](C)NC(=O)N1CC[NH+](CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000181424582 547312619 /nfs/dbraw/zinc/31/26/19/547312619.db2.gz WKZMGCJFOZMPBT-MSOLQXFVSA-N 1 2 364.534 2.459 20 30 FEEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)s1 ZINC000182316981 547472761 /nfs/dbraw/zinc/47/27/61/547472761.db2.gz ZVTJUSIBUUSJRM-MRXNPFEDSA-N 1 2 353.513 2.446 20 30 FEEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)s1 ZINC000182316981 547472765 /nfs/dbraw/zinc/47/27/65/547472765.db2.gz ZVTJUSIBUUSJRM-MRXNPFEDSA-N 1 2 353.513 2.446 20 30 FEEDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000183392133 547649788 /nfs/dbraw/zinc/64/97/88/547649788.db2.gz QOGJPWMXYXVBPM-AWEZNQCLSA-N 1 2 352.398 2.276 20 30 FEEDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000183392133 547649792 /nfs/dbraw/zinc/64/97/92/547649792.db2.gz QOGJPWMXYXVBPM-AWEZNQCLSA-N 1 2 352.398 2.276 20 30 FEEDLO COCCN(Cc1ccc(C#N)cc1)C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000484851678 561307094 /nfs/dbraw/zinc/30/70/94/561307094.db2.gz CXMYECMMDYCITI-UHFFFAOYSA-N 1 2 361.405 2.428 20 30 FEEDLO COc1cc(C#N)ccc1S(=O)(=O)N1CC[N@H+](C)Cc2ccccc21 ZINC000185595891 548006972 /nfs/dbraw/zinc/00/69/72/548006972.db2.gz CKSAZLCFCOEGMU-UHFFFAOYSA-N 1 2 357.435 2.208 20 30 FEEDLO COc1cc(C#N)ccc1S(=O)(=O)N1CC[N@@H+](C)Cc2ccccc21 ZINC000185595891 548006976 /nfs/dbraw/zinc/00/69/76/548006976.db2.gz CKSAZLCFCOEGMU-UHFFFAOYSA-N 1 2 357.435 2.208 20 30 FEEDLO C=C[C@](C)(CC)C(=O)Nc1ccc(C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000188157089 548272886 /nfs/dbraw/zinc/27/28/86/548272886.db2.gz LYMMMFDHJIFCDN-HXUWFJFHSA-N 1 2 359.470 2.289 20 30 FEEDLO C=C[C@](C)(CC)C(=O)N1CC[NH+](CCNC(=O)c2ccccc2F)CC1 ZINC000188365663 548278119 /nfs/dbraw/zinc/27/81/19/548278119.db2.gz KFEQNORHISWQTC-HXUWFJFHSA-N 1 2 361.461 2.302 20 30 FEEDLO C[C@H]1CCC[C@H](NC(=O)C[NH+]2CCN(CC#Cc3ccccc3)CC2)C1 ZINC000192103081 548359091 /nfs/dbraw/zinc/35/90/91/548359091.db2.gz IJDGRYUSPJZRSI-FPOVZHCZSA-N 1 2 353.510 2.351 20 30 FEEDLO C[C@H]1CCC[C@H](NC(=O)CN2CC[NH+](CC#Cc3ccccc3)CC2)C1 ZINC000192103081 548359097 /nfs/dbraw/zinc/35/90/97/548359097.db2.gz IJDGRYUSPJZRSI-FPOVZHCZSA-N 1 2 353.510 2.351 20 30 FEEDLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000193129378 548379872 /nfs/dbraw/zinc/37/98/72/548379872.db2.gz WLDVYCWWSFDEBK-PMACEKPBSA-N 1 2 364.445 2.495 20 30 FEEDLO COC(=O)[C@@H]1C[C@H](O)C[N@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000193129378 548379874 /nfs/dbraw/zinc/37/98/74/548379874.db2.gz WLDVYCWWSFDEBK-PMACEKPBSA-N 1 2 364.445 2.495 20 30 FEEDLO N#Cc1cc(F)ccc1NC(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000193652217 548393121 /nfs/dbraw/zinc/39/31/21/548393121.db2.gz LJDYXTHMGASWDE-UHFFFAOYSA-N 1 2 355.373 2.251 20 30 FEEDLO CCOC(=O)N1CCC[N@H+](CC(=O)N(CCC#N)c2ccccc2)CC1 ZINC000194873616 548543724 /nfs/dbraw/zinc/54/37/24/548543724.db2.gz KTCDOVPUZXFQGG-UHFFFAOYSA-N 1 2 358.442 2.097 20 30 FEEDLO CCOC(=O)N1CCC[N@@H+](CC(=O)N(CCC#N)c2ccccc2)CC1 ZINC000194873616 548543727 /nfs/dbraw/zinc/54/37/27/548543727.db2.gz KTCDOVPUZXFQGG-UHFFFAOYSA-N 1 2 358.442 2.097 20 30 FEEDLO Cc1sc(NC(=O)C[N@@H+](C)CCN2C[C@@H](C)O[C@@H](C)C2)c(C#N)c1C ZINC000195313878 548621034 /nfs/dbraw/zinc/62/10/34/548621034.db2.gz KFCPLQBNRIIDHN-BETUJISGSA-N 1 2 364.515 2.216 20 30 FEEDLO Cc1sc(NC(=O)C[N@H+](C)CCN2C[C@@H](C)O[C@@H](C)C2)c(C#N)c1C ZINC000195313878 548621035 /nfs/dbraw/zinc/62/10/35/548621035.db2.gz KFCPLQBNRIIDHN-BETUJISGSA-N 1 2 364.515 2.216 20 30 FEEDLO Cc1cc(C[C@@H](C)NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)[nH]n1 ZINC000487538537 561371585 /nfs/dbraw/zinc/37/15/85/561371585.db2.gz MWHDENZLMFFADK-OAHLLOKOSA-N 1 2 366.469 2.048 20 30 FEEDLO Cc1nc(N2CC[NH+]([C@@H]3CCN(c4ccccc4)C3=O)CC2)ccc1C#N ZINC000487759609 561375182 /nfs/dbraw/zinc/37/51/82/561375182.db2.gz TWVYGDROAVGKGQ-LJQANCHMSA-N 1 2 361.449 2.189 20 30 FEEDLO N#Cc1ccc2[nH+]cc(CN3CCN(Cc4ccccc4)[C@H](C#N)C3)n2c1 ZINC000245508187 548936212 /nfs/dbraw/zinc/93/62/12/548936212.db2.gz RKFWKQWMCYNRSH-LJQANCHMSA-N 1 2 356.433 2.416 20 30 FEEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]([C@H](C)c2ccco2)C2CC2)CC1 ZINC000246217344 549081314 /nfs/dbraw/zinc/08/13/14/549081314.db2.gz ZGFFZLXWKHDJGF-AEFFLSMTSA-N 1 2 358.486 2.497 20 30 FEEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]([C@H](C)c2ccco2)C2CC2)CC1 ZINC000246217344 549081317 /nfs/dbraw/zinc/08/13/17/549081317.db2.gz ZGFFZLXWKHDJGF-AEFFLSMTSA-N 1 2 358.486 2.497 20 30 FEEDLO C[C@H](CNS(=O)(=O)c1c(F)cc(C#N)cc1F)[N@@H+]1CCC[C@H](C)C1 ZINC000246464182 549139463 /nfs/dbraw/zinc/13/94/63/549139463.db2.gz GDYLMQWRBGPVNB-NWDGAFQWSA-N 1 2 357.426 2.235 20 30 FEEDLO C[C@H](CNS(=O)(=O)c1c(F)cc(C#N)cc1F)[N@H+]1CCC[C@H](C)C1 ZINC000246464182 549139468 /nfs/dbraw/zinc/13/94/68/549139468.db2.gz GDYLMQWRBGPVNB-NWDGAFQWSA-N 1 2 357.426 2.235 20 30 FEEDLO CCCC(=O)N[C@H]1CCC[N@@H+]([C@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000246629055 549177470 /nfs/dbraw/zinc/17/74/70/549177470.db2.gz ZIGDBQQSZNRSMO-GJZGRUSLSA-N 1 2 360.483 2.106 20 30 FEEDLO CCCC(=O)N[C@H]1CCC[N@H+]([C@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000246629055 549177472 /nfs/dbraw/zinc/17/74/72/549177472.db2.gz ZIGDBQQSZNRSMO-GJZGRUSLSA-N 1 2 360.483 2.106 20 30 FEEDLO N#Cc1ccc(OCC(=O)N2CC[NH+](Cc3ccsc3)CC2)c(F)c1 ZINC000489089882 561403078 /nfs/dbraw/zinc/40/30/78/561403078.db2.gz SGCGVPOTQNYDHU-UHFFFAOYSA-N 1 2 359.426 2.482 20 30 FEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)[C@H]1CCCN(c2ccccc2)C1=O ZINC000247325928 549319397 /nfs/dbraw/zinc/31/93/97/549319397.db2.gz XSTORIUFBYZCMF-WMZOPIPTSA-N 1 2 356.470 2.122 20 30 FEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)[C@H]1CCCN(c2ccccc2)C1=O ZINC000247325928 549319399 /nfs/dbraw/zinc/31/93/99/549319399.db2.gz XSTORIUFBYZCMF-WMZOPIPTSA-N 1 2 356.470 2.122 20 30 FEEDLO C=CCCCS(=O)(=O)NC[C@@H]1OCC[N@@H+](CC)[C@H]1c1ccccc1 ZINC000489890266 561421693 /nfs/dbraw/zinc/42/16/93/561421693.db2.gz RFQYPZAWVRYFRL-ROUUACIJSA-N 1 2 352.500 2.334 20 30 FEEDLO C=CCCCS(=O)(=O)NC[C@@H]1OCC[N@H+](CC)[C@H]1c1ccccc1 ZINC000489890266 561421694 /nfs/dbraw/zinc/42/16/94/561421694.db2.gz RFQYPZAWVRYFRL-ROUUACIJSA-N 1 2 352.500 2.334 20 30 FEEDLO COC[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C[C@H](C)O1 ZINC000251997879 549660722 /nfs/dbraw/zinc/66/07/22/549660722.db2.gz WJDMENANZROOQN-MPGHIAIKSA-N 1 2 363.433 2.197 20 30 FEEDLO COC[C@@H]1C[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C[C@H](C)O1 ZINC000251997879 549660727 /nfs/dbraw/zinc/66/07/27/549660727.db2.gz WJDMENANZROOQN-MPGHIAIKSA-N 1 2 363.433 2.197 20 30 FEEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000264061808 549974181 /nfs/dbraw/zinc/97/41/81/549974181.db2.gz DXJNUDYHSGSQHS-HNNXBMFYSA-N 1 2 353.426 2.396 20 30 FEEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000264584791 549998570 /nfs/dbraw/zinc/99/85/70/549998570.db2.gz YTQQQDHGBPGQEH-KBPBESRZSA-N 1 2 371.466 2.278 20 30 FEEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000264631695 549999062 /nfs/dbraw/zinc/99/90/62/549999062.db2.gz VJXZMIBLTCYWMS-KGLIPLIRSA-N 1 2 371.466 2.421 20 30 FEEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H]2C(=O)NC2CC2)c1C ZINC000265053945 550005349 /nfs/dbraw/zinc/00/53/49/550005349.db2.gz XGZVECXDXFEKGQ-IBGZPJMESA-N 1 2 368.481 2.293 20 30 FEEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@H]2C(=O)NC2CC2)c1C ZINC000265053945 550005350 /nfs/dbraw/zinc/00/53/50/550005350.db2.gz XGZVECXDXFEKGQ-IBGZPJMESA-N 1 2 368.481 2.293 20 30 FEEDLO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CC[S@](=O)[C@@H](C)[C@H]2C)c(OC)c1 ZINC000265652216 550012639 /nfs/dbraw/zinc/01/26/39/550012639.db2.gz VMBATPHOGIDTQR-BPCAQTKCSA-N 1 2 367.511 2.005 20 30 FEEDLO C=CCc1ccc(OC[C@H](O)C[N@H+]2CC[S@](=O)[C@@H](C)[C@H]2C)c(OC)c1 ZINC000265652216 550012642 /nfs/dbraw/zinc/01/26/42/550012642.db2.gz VMBATPHOGIDTQR-BPCAQTKCSA-N 1 2 367.511 2.005 20 30 FEEDLO COc1ccccc1CNC(=O)[C@@H](C)O[NH+]=C(N)[C@H](C)OCC(C)C ZINC000266240161 550018561 /nfs/dbraw/zinc/01/85/61/550018561.db2.gz WZDPMRCTZZJZIS-UONOGXRCSA-N 1 2 351.447 2.050 20 30 FEEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN(Cc2csc([C@H](C)OCC)n2)CC1 ZINC000266575373 550021420 /nfs/dbraw/zinc/02/14/20/550021420.db2.gz FVRNDAXNOBRQCX-GJZGRUSLSA-N 1 2 366.531 2.049 20 30 FEEDLO CCOCc1ccccc1CNC(=O)CO[NH+]=C(N)c1cccc(OC)c1 ZINC000268552822 550086420 /nfs/dbraw/zinc/08/64/20/550086420.db2.gz DQLPSYZAILQSBH-UHFFFAOYSA-N 1 2 371.437 2.185 20 30 FEEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000268964454 550137867 /nfs/dbraw/zinc/13/78/67/550137867.db2.gz KLFCKPIKFMFEPR-GDBMZVCRSA-N 1 2 363.508 2.447 20 30 FEEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000268964454 550137871 /nfs/dbraw/zinc/13/78/71/550137871.db2.gz KLFCKPIKFMFEPR-GDBMZVCRSA-N 1 2 363.508 2.447 20 30 FEEDLO N#Cc1ccc(CS(=O)(=O)NCc2cn3cc(Cl)ccc3[nH+]2)cc1 ZINC000493383382 561455890 /nfs/dbraw/zinc/45/58/90/561455890.db2.gz HJYSTPVJXTYWEW-UHFFFAOYSA-N 1 2 360.826 2.479 20 30 FEEDLO CCOC(=O)CC[C@H](C)NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000270540114 550281818 /nfs/dbraw/zinc/28/18/18/550281818.db2.gz QUIYMWITZSKLTH-INIZCTEOSA-N 1 2 372.469 2.117 20 30 FEEDLO Cc1cc(NC(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)nn1CCC#N ZINC000272101969 550422825 /nfs/dbraw/zinc/42/28/25/550422825.db2.gz OWOZZLAKRPMBKJ-MRXNPFEDSA-N 1 2 367.457 2.411 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ccc4c(c3)CCC(=O)N4)CC2)cc1 ZINC000272920891 550476715 /nfs/dbraw/zinc/47/67/15/550476715.db2.gz JUOPWEGMLJYYKK-UHFFFAOYSA-N 1 2 374.444 2.401 20 30 FEEDLO C[C@H](O[NH+]=C(N)CCO)C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000275537931 550572826 /nfs/dbraw/zinc/57/28/26/550572826.db2.gz RUSJTOAROXGAOY-AWEZNQCLSA-N 1 2 357.410 2.264 20 30 FEEDLO NC(=[NH+]OC[C@H]1CCS(=O)(=O)C1)c1ccc(OCc2ccccc2)cc1 ZINC000278745534 550817201 /nfs/dbraw/zinc/81/72/01/550817201.db2.gz VTNAYMULJQBRPW-MRXNPFEDSA-N 1 2 374.462 2.337 20 30 FEEDLO C[C@H]1CN(C(=O)c2cc(-c3cccc(C#N)c3)no2)C[C@H]1[NH+]1CCOCC1 ZINC000279132319 550857328 /nfs/dbraw/zinc/85/73/28/550857328.db2.gz XGMFJCKZKNLBKB-KBXCAEBGSA-N 1 2 366.421 2.006 20 30 FEEDLO CS(=O)(=O)c1ccc(N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000280287173 550976676 /nfs/dbraw/zinc/97/66/76/550976676.db2.gz TZDJEHRXDYJCRB-UHFFFAOYSA-N 1 2 355.463 2.284 20 30 FEEDLO N#Cc1cccnc1N1CC[NH+](Cc2cc(=O)oc3cc(O)ccc23)CC1 ZINC000280611151 551013272 /nfs/dbraw/zinc/01/32/72/551013272.db2.gz ZNWQFIVTTJLHDW-UHFFFAOYSA-N 1 2 362.389 2.087 20 30 FEEDLO Cc1ccccc1-n1nccc1CN(CCC#N)CC[NH+]1CCOCC1 ZINC000280726490 551025629 /nfs/dbraw/zinc/02/56/29/551025629.db2.gz YLWRNKHOPRAHMO-UHFFFAOYSA-N 1 2 353.470 2.229 20 30 FEEDLO C=CCN1CC[C@H]([NH+]2CCN(Cc3nc4ccccc4s3)CC2)C1=O ZINC000280964702 551049981 /nfs/dbraw/zinc/04/99/81/551049981.db2.gz HJDAGRZCOVLUSZ-INIZCTEOSA-N 1 2 356.495 2.201 20 30 FEEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)N(C)Cc2ccc(SC)cc2)C1=O ZINC000281206517 551073982 /nfs/dbraw/zinc/07/39/82/551073982.db2.gz CVGCDXHQCRBSQS-QGZVFWFLSA-N 1 2 361.511 2.086 20 30 FEEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)N(C)Cc2ccc(SC)cc2)C1=O ZINC000281206517 551073984 /nfs/dbraw/zinc/07/39/84/551073984.db2.gz CVGCDXHQCRBSQS-QGZVFWFLSA-N 1 2 361.511 2.086 20 30 FEEDLO N#Cc1cccc(-n2ccc(C(=O)N3CC[NH+](Cc4ccco4)CC3)n2)c1 ZINC000281268871 551079506 /nfs/dbraw/zinc/07/95/06/551079506.db2.gz PBSHLUPPTRHSHN-UHFFFAOYSA-N 1 2 361.405 2.295 20 30 FEEDLO CCOC(=O)[C@]1(COC)CCC[N@@H+]([C@@H](C(=O)OC)c2cccc(C#N)c2)C1 ZINC000281282578 551080939 /nfs/dbraw/zinc/08/09/39/551080939.db2.gz GKJXXAMWNGNFPX-YLJYHZDGSA-N 1 2 374.437 2.064 20 30 FEEDLO CCOC(=O)[C@]1(COC)CCC[N@H+]([C@@H](C(=O)OC)c2cccc(C#N)c2)C1 ZINC000281282578 551080940 /nfs/dbraw/zinc/08/09/40/551080940.db2.gz GKJXXAMWNGNFPX-YLJYHZDGSA-N 1 2 374.437 2.064 20 30 FEEDLO C=CC1CCN(C(=O)[C@@H]2CCC(=O)N(C3CC3)[C@H]2c2c[nH+]cn2C)CC1 ZINC000496689351 561495292 /nfs/dbraw/zinc/49/52/92/561495292.db2.gz QEKXYXVBCFKDAT-VQIMIIECSA-N 1 2 356.470 2.287 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N(C)[C@H]2CCCc3ccccc32)C1=O ZINC000281514067 551107269 /nfs/dbraw/zinc/10/72/69/551107269.db2.gz YXKXYESXIVIDOI-OALUTQOASA-N 1 2 355.482 2.241 20 30 FEEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N(C)[C@H]2CCCc3ccccc32)C1=O ZINC000281514067 551107270 /nfs/dbraw/zinc/10/72/70/551107270.db2.gz YXKXYESXIVIDOI-OALUTQOASA-N 1 2 355.482 2.241 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000281727609 551136031 /nfs/dbraw/zinc/13/60/31/551136031.db2.gz FRJGLRBBECRNJI-QRQLOZEOSA-N 1 2 358.486 2.451 20 30 FEEDLO C=CCn1c([C@H](C)CC)nnc1N1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC000282236885 551199349 /nfs/dbraw/zinc/19/93/49/551199349.db2.gz JUFZZBPCDMFXKV-QGZVFWFLSA-N 1 2 374.533 2.112 20 30 FEEDLO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)[N@@H+]2Cc2cn3ccccc3c2C#N)O1 ZINC000282479495 551234636 /nfs/dbraw/zinc/23/46/36/551234636.db2.gz OOOUDOJZNJPYKY-PZGXJPJSSA-N 1 2 353.422 2.494 20 30 FEEDLO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)[N@H+]2Cc2cn3ccccc3c2C#N)O1 ZINC000282479495 551234639 /nfs/dbraw/zinc/23/46/39/551234639.db2.gz OOOUDOJZNJPYKY-PZGXJPJSSA-N 1 2 353.422 2.494 20 30 FEEDLO C=CC[N@@H+](Cc1ccc(-c2cnn(C)c2)s1)[C@H]1CCS(=O)(=O)C1 ZINC000282751921 551266420 /nfs/dbraw/zinc/26/64/20/551266420.db2.gz HBLVMJIOSSNVNU-AWEZNQCLSA-N 1 2 351.497 2.324 20 30 FEEDLO C=CC[N@H+](Cc1ccc(-c2cnn(C)c2)s1)[C@H]1CCS(=O)(=O)C1 ZINC000282751921 551266421 /nfs/dbraw/zinc/26/64/21/551266421.db2.gz HBLVMJIOSSNVNU-AWEZNQCLSA-N 1 2 351.497 2.324 20 30 FEEDLO C=C(C)Cn1c(-c2ccccc2OC)nnc1N(C)CC[NH+]1CCOCC1 ZINC000283375801 551356113 /nfs/dbraw/zinc/35/61/13/551356113.db2.gz USABOOPEXZCZLF-UHFFFAOYSA-N 1 2 371.485 2.298 20 30 FEEDLO CN(C)c1[nH+]cccc1NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 ZINC000498373965 561523549 /nfs/dbraw/zinc/52/35/49/561523549.db2.gz KJQGAZDMPKENRP-UHFFFAOYSA-N 1 2 372.450 2.477 20 30 FEEDLO COc1cc(C[N@@H+]2CCN(C)[C@@H](c3nc(C4CC4)no3)C2)ccc1C#N ZINC000284945449 551673931 /nfs/dbraw/zinc/67/39/31/551673931.db2.gz DSVRAMAIQQPBOQ-MRXNPFEDSA-N 1 2 353.426 2.316 20 30 FEEDLO COc1cc(C[N@H+]2CCN(C)[C@@H](c3nc(C4CC4)no3)C2)ccc1C#N ZINC000284945449 551673932 /nfs/dbraw/zinc/67/39/32/551673932.db2.gz DSVRAMAIQQPBOQ-MRXNPFEDSA-N 1 2 353.426 2.316 20 30 FEEDLO C[C@@H]1CCSCC[N@@H+]1CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000285077075 551701012 /nfs/dbraw/zinc/70/10/12/551701012.db2.gz PLXSFUYJYRSASQ-TZMCWYRMSA-N 1 2 356.451 2.339 20 30 FEEDLO C[C@@H]1CCSCC[N@H+]1CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000285077075 551701013 /nfs/dbraw/zinc/70/10/13/551701013.db2.gz PLXSFUYJYRSASQ-TZMCWYRMSA-N 1 2 356.451 2.339 20 30 FEEDLO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1c(F)cncc1F ZINC000285453718 551758993 /nfs/dbraw/zinc/75/89/93/551758993.db2.gz ADTIBOBOVWALLN-LLVKDONJSA-N 1 2 351.378 2.356 20 30 FEEDLO C=CCn1c(=O)c2ccc(C(=O)N[C@@H]3CCCC[C@@H]3C[NH3+])cc2[nH]c1=S ZINC000285720194 551800833 /nfs/dbraw/zinc/80/08/33/551800833.db2.gz NEYXEFSBUTXCCY-UKRRQHHQSA-N 1 2 372.494 2.119 20 30 FEEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)C1=O ZINC000286529861 551896656 /nfs/dbraw/zinc/89/66/56/551896656.db2.gz NNSLXOLNDODWET-AGIUHOORSA-N 1 2 373.400 2.218 20 30 FEEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)C1=O ZINC000286529861 551896658 /nfs/dbraw/zinc/89/66/58/551896658.db2.gz NNSLXOLNDODWET-AGIUHOORSA-N 1 2 373.400 2.218 20 30 FEEDLO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(c3cc(C#N)ccn3)C2)CC1 ZINC000286558072 551899662 /nfs/dbraw/zinc/89/96/62/551899662.db2.gz PHWDYRYJLBIIQK-MRXNPFEDSA-N 1 2 357.458 2.085 20 30 FEEDLO CC(C)n1cc(/C=C/C(=O)c2ccc(O)c(C[NH+]3CCOCC3)c2)nn1 ZINC000286973219 551946647 /nfs/dbraw/zinc/94/66/47/551946647.db2.gz CDAGRCVWGGDVHV-GQCTYLIASA-N 1 2 356.426 2.293 20 30 FEEDLO C=CCN1CC[C@H]([N@H+]2CCCC[C@@H]2c2nnc(CC(F)(F)F)o2)C1=O ZINC000287217041 551977367 /nfs/dbraw/zinc/97/73/67/551977367.db2.gz FGHNAMQZYANHCP-NEPJUHHUSA-N 1 2 358.364 2.488 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+]2CCCC[C@@H]2c2nnc(CC(F)(F)F)o2)C1=O ZINC000287217041 551977368 /nfs/dbraw/zinc/97/73/68/551977368.db2.gz FGHNAMQZYANHCP-NEPJUHHUSA-N 1 2 358.364 2.488 20 30 FEEDLO COc1nc(C)cc(C)c1C[N@@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000287577918 552021249 /nfs/dbraw/zinc/02/12/49/552021249.db2.gz CBRMQDMRFMBXOE-HNNXBMFYSA-N 1 2 352.442 2.079 20 30 FEEDLO COc1nc(C)cc(C)c1C[N@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000287577918 552021250 /nfs/dbraw/zinc/02/12/50/552021250.db2.gz CBRMQDMRFMBXOE-HNNXBMFYSA-N 1 2 352.442 2.079 20 30 FEEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Nc1ncccc1OCCCC#N ZINC000287719798 552038328 /nfs/dbraw/zinc/03/83/28/552038328.db2.gz VKTLUYDHPNMBLV-JKSUJKDBSA-N 1 2 373.457 2.091 20 30 FEEDLO C=CCCCCNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000289620098 552351191 /nfs/dbraw/zinc/35/11/91/552351191.db2.gz LPHJIKWOMQJMLI-IRXDYDNUSA-N 1 2 365.424 2.299 20 30 FEEDLO C=CCCCCNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000289620098 552351194 /nfs/dbraw/zinc/35/11/94/552351194.db2.gz LPHJIKWOMQJMLI-IRXDYDNUSA-N 1 2 365.424 2.299 20 30 FEEDLO COc1ccc(C[N@H+](C)CCS(=O)(=O)c2ccc(C#N)cn2)cc1C ZINC000290230053 552445622 /nfs/dbraw/zinc/44/56/22/552445622.db2.gz INQYSHMJBSTWSS-UHFFFAOYSA-N 1 2 359.451 2.176 20 30 FEEDLO COc1ccc(C[N@@H+](C)CCS(=O)(=O)c2ccc(C#N)cn2)cc1C ZINC000290230053 552445625 /nfs/dbraw/zinc/44/56/25/552445625.db2.gz INQYSHMJBSTWSS-UHFFFAOYSA-N 1 2 359.451 2.176 20 30 FEEDLO Cn1cccc1[C@H]1CCCC[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000290244591 552447887 /nfs/dbraw/zinc/44/78/87/552447887.db2.gz JLQYJYUZCAPDDF-QGZVFWFLSA-N 1 2 358.467 2.293 20 30 FEEDLO Cn1cccc1[C@H]1CCCC[N@H+]1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000290244591 552447890 /nfs/dbraw/zinc/44/78/90/552447890.db2.gz JLQYJYUZCAPDDF-QGZVFWFLSA-N 1 2 358.467 2.293 20 30 FEEDLO C[C@@H](c1ccc(NS(=O)(=O)c2cncc(C#N)c2)cc1)[NH+]1CCOCC1 ZINC000291041199 552579499 /nfs/dbraw/zinc/57/94/99/552579499.db2.gz ZZGJIQKQEBCIRZ-AWEZNQCLSA-N 1 2 372.450 2.147 20 30 FEEDLO C[NH+](C)C1(C#N)CCN(C(=O)NC[C@@]2(C)OCCc3sccc32)CC1 ZINC000291305616 552612828 /nfs/dbraw/zinc/61/28/28/552612828.db2.gz UMNJHITUKXFCIG-QGZVFWFLSA-N 1 2 362.499 2.165 20 30 FEEDLO Cc1oc(NC(=O)C[N@@H+]2CC[C@@](CO)(c3ccccc3)C2)c(C#N)c1C ZINC000291961933 552679274 /nfs/dbraw/zinc/67/92/74/552679274.db2.gz VCJVPGJHWQVNOV-HXUWFJFHSA-N 1 2 353.422 2.343 20 30 FEEDLO Cc1oc(NC(=O)C[N@H+]2CC[C@@](CO)(c3ccccc3)C2)c(C#N)c1C ZINC000291961933 552679275 /nfs/dbraw/zinc/67/92/75/552679275.db2.gz VCJVPGJHWQVNOV-HXUWFJFHSA-N 1 2 353.422 2.343 20 30 FEEDLO C[C@@H](C(=O)Nc1cccnc1Cl)[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292102542 552694049 /nfs/dbraw/zinc/69/40/49/552694049.db2.gz GMMXOUZNVSOQQR-GXTWGEPZSA-N 1 2 371.828 2.482 20 30 FEEDLO C[C@@H](C(=O)Nc1cccnc1Cl)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292102542 552694051 /nfs/dbraw/zinc/69/40/51/552694051.db2.gz GMMXOUZNVSOQQR-GXTWGEPZSA-N 1 2 371.828 2.482 20 30 FEEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](CC(=O)Nc3cc(F)ccc3F)C2)nc1 ZINC000292162343 552699926 /nfs/dbraw/zinc/69/99/26/552699926.db2.gz LBWWTWXLTHZRCL-AWEZNQCLSA-N 1 2 358.348 2.323 20 30 FEEDLO N#Cc1ccc(O[C@H]2CC[N@H+](CC(=O)Nc3cc(F)ccc3F)C2)nc1 ZINC000292162343 552699927 /nfs/dbraw/zinc/69/99/27/552699927.db2.gz LBWWTWXLTHZRCL-AWEZNQCLSA-N 1 2 358.348 2.323 20 30 FEEDLO COc1ccncc1CN1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000292243941 552708239 /nfs/dbraw/zinc/70/82/39/552708239.db2.gz COJNFEGRMBEIMU-UHFFFAOYSA-N 1 2 363.421 2.250 20 30 FEEDLO Cc1[nH+]c2ccccc2n1CC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292293897 552713145 /nfs/dbraw/zinc/71/31/45/552713145.db2.gz HQSSERUFZFQBPM-MRXNPFEDSA-N 1 2 361.405 2.291 20 30 FEEDLO C=CCc1ccc(OC[C@H](O)C[NH2+][C@](C)(CC)C(=O)OC)c(OC)c1 ZINC000293041341 552783268 /nfs/dbraw/zinc/78/32/68/552783268.db2.gz FBHJDPRWLXAKRW-DNVCBOLYSA-N 1 2 351.443 2.095 20 30 FEEDLO C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)Nc1sccc1C#N ZINC000293353095 552814488 /nfs/dbraw/zinc/81/44/88/552814488.db2.gz JMHMHRXUIHRULM-AWEZNQCLSA-N 1 2 368.462 2.291 20 30 FEEDLO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)Nc1sccc1C#N ZINC000293353095 552814490 /nfs/dbraw/zinc/81/44/90/552814490.db2.gz JMHMHRXUIHRULM-AWEZNQCLSA-N 1 2 368.462 2.291 20 30 FEEDLO CN(C)C(=O)O[C@@H]1CCC[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000295454484 553009154 /nfs/dbraw/zinc/00/91/54/553009154.db2.gz FGWNRNLDCLRDJM-OAHLLOKOSA-N 1 2 355.398 2.271 20 30 FEEDLO CN(C)C(=O)O[C@@H]1CCC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000295454484 553009157 /nfs/dbraw/zinc/00/91/57/553009157.db2.gz FGWNRNLDCLRDJM-OAHLLOKOSA-N 1 2 355.398 2.271 20 30 FEEDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)C(=O)Nc2cc(C#N)ccc2Cl)CC1(C)C ZINC000295998136 553086820 /nfs/dbraw/zinc/08/68/20/553086820.db2.gz FGWZBMULIFHZKU-AWEZNQCLSA-N 1 2 371.828 2.493 20 30 FEEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CC[C@@H](OC(=O)N(C)C)C2)cc1 ZINC000296590645 553183911 /nfs/dbraw/zinc/18/39/11/553183911.db2.gz FLSSKBDCISOUCX-FUHWJXTLSA-N 1 2 372.469 2.403 20 30 FEEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CC[C@@H](OC(=O)N(C)C)C2)cc1 ZINC000296590645 553183914 /nfs/dbraw/zinc/18/39/14/553183914.db2.gz FLSSKBDCISOUCX-FUHWJXTLSA-N 1 2 372.469 2.403 20 30 FEEDLO C=CCN(CCc1ccco1)C(=O)C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000297889681 553353325 /nfs/dbraw/zinc/35/33/25/553353325.db2.gz VKGPVHVNSYYNAY-FUHWJXTLSA-N 1 2 370.453 2.143 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)CCn1ccc2ccccc21 ZINC000299519993 553575063 /nfs/dbraw/zinc/57/50/63/553575063.db2.gz LAKIFEYSIUQNBS-UHFFFAOYSA-N 1 2 354.454 2.106 20 30 FEEDLO CC(C)(C#N)c1ccccc1C[N@@H+]1C[C@H](F)C[C@H]1C(=O)N1CCOCC1 ZINC000299744433 553610638 /nfs/dbraw/zinc/61/06/38/553610638.db2.gz OULVOTCKUUOKRE-AEFFLSMTSA-N 1 2 359.445 2.259 20 30 FEEDLO CC(C)(C#N)c1ccccc1C[N@H+]1C[C@H](F)C[C@H]1C(=O)N1CCOCC1 ZINC000299744433 553610640 /nfs/dbraw/zinc/61/06/40/553610640.db2.gz OULVOTCKUUOKRE-AEFFLSMTSA-N 1 2 359.445 2.259 20 30 FEEDLO Cn1ncc2c1nc[nH+]c2N1CCN(c2ccc3cc(C#N)ccc3n2)CC1 ZINC000301814930 553681637 /nfs/dbraw/zinc/68/16/37/553681637.db2.gz INJQCHCWQSIIBK-UHFFFAOYSA-N 1 2 370.420 2.110 20 30 FEEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N[C@H](C)C(=O)N1CCCC[C@@H]1C)CCC2 ZINC000328646626 553801897 /nfs/dbraw/zinc/80/18/97/553801897.db2.gz GYMYCDREUGBHIS-XHSDSOJGSA-N 1 2 361.490 2.362 20 30 FEEDLO C[C@@H](C1CCCCC1)N(C)C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000328668906 553804734 /nfs/dbraw/zinc/80/47/34/553804734.db2.gz DWNMSEFQGSOOFN-KRWDZBQOSA-N 1 2 374.533 2.413 20 30 FEEDLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)N[C@H]2CCCC23CCOCC3)CC1 ZINC000328694965 553808317 /nfs/dbraw/zinc/80/83/17/553808317.db2.gz GGBIMHNJURJWHH-AWEZNQCLSA-N 1 2 352.479 2.181 20 30 FEEDLO CC1(C)SC[C@H]1NC(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000328768356 553819344 /nfs/dbraw/zinc/81/93/44/553819344.db2.gz QFDOCPWBECHCOU-OAHLLOKOSA-N 1 2 359.499 2.260 20 30 FEEDLO O=C(Nc1ccccc1C[NH+]1CCC(O)CC1)[C@H]1CCc2[nH]nnc2C1 ZINC000328766047 553819384 /nfs/dbraw/zinc/81/93/84/553819384.db2.gz HAWGPUSYTQLTLH-ZDUSSCGKSA-N 1 2 355.442 2.155 20 30 FEEDLO O=C(Nc1ccccc1C[NH+]1CCC(O)CC1)[C@H]1CCc2nn[nH]c2C1 ZINC000328766047 553819385 /nfs/dbraw/zinc/81/93/85/553819385.db2.gz HAWGPUSYTQLTLH-ZDUSSCGKSA-N 1 2 355.442 2.155 20 30 FEEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)N[C@H]2CCCC23CCOCC3)CCO1 ZINC000328781811 553821255 /nfs/dbraw/zinc/82/12/55/553821255.db2.gz HMVFGVWZTMMEBH-PVAVHDDUSA-N 1 2 362.474 2.493 20 30 FEEDLO C[N@@H+]1CC[C@H](NC(=O)NC[C@H](O)C2CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000328811418 553826216 /nfs/dbraw/zinc/82/62/16/553826216.db2.gz FIYWJSWZEYKGIB-JYJNAYRXSA-N 1 2 355.841 2.499 20 30 FEEDLO C[N@H+]1CC[C@H](NC(=O)NC[C@H](O)C2CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000328811418 553826217 /nfs/dbraw/zinc/82/62/17/553826217.db2.gz FIYWJSWZEYKGIB-JYJNAYRXSA-N 1 2 355.841 2.499 20 30 FEEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)NCCc3ccc4ccccc4n3)C[C@@H]21 ZINC000328846910 553831777 /nfs/dbraw/zinc/83/17/77/553831777.db2.gz AOIZXNXFKSVVAL-RBUKOAKNSA-N 1 2 354.454 2.096 20 30 FEEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)NCCc3ccc4ccccc4n3)C[C@@H]21 ZINC000328846910 553831779 /nfs/dbraw/zinc/83/17/79/553831779.db2.gz AOIZXNXFKSVVAL-RBUKOAKNSA-N 1 2 354.454 2.096 20 30 FEEDLO Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)N[C@@H]2CCO[C@@H]2C2CC2)cc1 ZINC000328845303 553831790 /nfs/dbraw/zinc/83/17/90/553831790.db2.gz RNGRWTXGWGGOGH-HSALFYBXSA-N 1 2 373.497 2.439 20 30 FEEDLO Cc1ccn(-c2ccccc2NC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)n1 ZINC000329005869 553863561 /nfs/dbraw/zinc/86/35/61/553863561.db2.gz YUCYJUQLKOFCTI-ZWKOTPCHSA-N 1 2 355.442 2.131 20 30 FEEDLO Cc1ccn(-c2ccccc2NC(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)n1 ZINC000329005869 553863564 /nfs/dbraw/zinc/86/35/64/553863564.db2.gz YUCYJUQLKOFCTI-ZWKOTPCHSA-N 1 2 355.442 2.131 20 30 FEEDLO CC[N@H+](C[C@@H](C)C#N)[C@@H](C)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F ZINC000506055093 561688766 /nfs/dbraw/zinc/68/87/66/561688766.db2.gz AAMYBYLNQDOJNF-QWRGUYRKSA-N 1 2 370.375 2.029 20 30 FEEDLO CC[N@@H+](C[C@@H](C)C#N)[C@@H](C)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F ZINC000506055093 561688768 /nfs/dbraw/zinc/68/87/68/561688768.db2.gz AAMYBYLNQDOJNF-QWRGUYRKSA-N 1 2 370.375 2.029 20 30 FEEDLO Cc1nc2c(c(=O)[nH]n2C)c(C)c1CNC(=O)C1([NH+]2CCOCC2)CCC1 ZINC000329128731 553885335 /nfs/dbraw/zinc/88/53/35/553885335.db2.gz ZQKSQHZHNYCVQD-UHFFFAOYSA-N 1 2 373.457 2.002 20 30 FEEDLO C[C@@H]1CN(C(=O)N[C@@H]2CCC(=O)N(C3CC3)[C@H]2c2c[nH+]cn2C)C[C@H]1C ZINC000329198161 553900457 /nfs/dbraw/zinc/90/04/57/553900457.db2.gz AJOFUOLYKYJTNW-HOPMXRPOSA-N 1 2 359.474 2.116 20 30 FEEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)N[C@H]2CC(=O)N(C3CCCCC3)C2)C1 ZINC000329200233 553900878 /nfs/dbraw/zinc/90/08/78/553900878.db2.gz XFPAEXSFDUKDTK-CABCVRRESA-N 1 2 359.474 2.057 20 30 FEEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)NCc3nc4ccccc4n3C3CC3)C[C@H]21 ZINC000329205915 553902028 /nfs/dbraw/zinc/90/20/28/553902028.db2.gz XGLLDMAIKADRNG-QZTJIDSGSA-N 1 2 369.469 2.190 20 30 FEEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)NCc3nc4ccccc4n3C3CC3)C[C@H]21 ZINC000329205915 553902031 /nfs/dbraw/zinc/90/20/31/553902031.db2.gz XGLLDMAIKADRNG-QZTJIDSGSA-N 1 2 369.469 2.190 20 30 FEEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCCO[C@H]1CCCC[C@H]1C ZINC000329214585 553904485 /nfs/dbraw/zinc/90/44/85/553904485.db2.gz LHNIHJHEGQIKAX-XDNAFOTISA-N 1 2 353.507 2.291 20 30 FEEDLO CC(C)C(=O)NC1CCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000329243753 553909777 /nfs/dbraw/zinc/90/97/77/553909777.db2.gz PICOWDJFEZMPMD-QGZVFWFLSA-N 1 2 351.491 2.233 20 30 FEEDLO CC(C)C(=O)NC1CCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000329243753 553909778 /nfs/dbraw/zinc/90/97/78/553909778.db2.gz PICOWDJFEZMPMD-QGZVFWFLSA-N 1 2 351.491 2.233 20 30 FEEDLO Cn1cc[nH+]c1[C@H](NC(=O)N[C@@H]1CCCCC[C@H]1O)C1CCOCC1 ZINC000329338534 553928288 /nfs/dbraw/zinc/92/82/88/553928288.db2.gz NDFHJQANCJOBLJ-BZUAXINKSA-N 1 2 350.463 2.085 20 30 FEEDLO O=C(C[N@@H+]1CCN2CCOC[C@@H]2C1)NCc1ccccc1OC1CCCC1 ZINC000329408688 553941415 /nfs/dbraw/zinc/94/14/15/553941415.db2.gz DGFHVCSPSPANRC-SFHVURJKSA-N 1 2 373.497 2.481 20 30 FEEDLO O=C(C[N@H+]1CCN2CCOC[C@@H]2C1)NCc1ccccc1OC1CCCC1 ZINC000329408688 553941416 /nfs/dbraw/zinc/94/14/16/553941416.db2.gz DGFHVCSPSPANRC-SFHVURJKSA-N 1 2 373.497 2.481 20 30 FEEDLO C[NH+]1CCN(C(=O)c2cc(NC(=O)NCCC3CCCC3)ccn2)CC1 ZINC000329430711 553944998 /nfs/dbraw/zinc/94/49/98/553944998.db2.gz KGVDUIQLWWLWJM-UHFFFAOYSA-N 1 2 359.474 2.375 20 30 FEEDLO CCn1cc[nH+]c1[C@H](NC(=O)N1CCO[C@H](C)[C@H]1C)C1CCOCC1 ZINC000329430562 553945328 /nfs/dbraw/zinc/94/53/28/553945328.db2.gz HOYXQZJDWWNRTC-IIAWOOMASA-N 1 2 350.463 2.394 20 30 FEEDLO C[C@H]1CCCN(C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)CC1 ZINC000329466298 553951841 /nfs/dbraw/zinc/95/18/41/553951841.db2.gz VOCMOSUJGYYLKE-HNNXBMFYSA-N 1 2 359.474 2.137 20 30 FEEDLO CC(C)Oc1c(F)cc(NC(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)cc1F ZINC000329552255 553966397 /nfs/dbraw/zinc/96/63/97/553966397.db2.gz JSHSWXODIWOPHC-LSDHHAIUSA-N 1 2 355.385 2.312 20 30 FEEDLO CC(C)Oc1c(F)cc(NC(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)cc1F ZINC000329552255 553966399 /nfs/dbraw/zinc/96/63/99/553966399.db2.gz JSHSWXODIWOPHC-LSDHHAIUSA-N 1 2 355.385 2.312 20 30 FEEDLO C[C@@H]1c2nnc(C3CCCC3)n2CCN1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000329559683 553967518 /nfs/dbraw/zinc/96/75/18/553967518.db2.gz QZSCEXNAKGJPCY-UKRRQHHQSA-N 1 2 369.473 2.438 20 30 FEEDLO Cc1cc(NC(=O)N2CCN3CCOC[C@H]3C2)c[nH+]c1N1CCCC[C@@H]1C ZINC000329809833 554009858 /nfs/dbraw/zinc/00/98/58/554009858.db2.gz CEUFGJDQHKEHLI-FUHWJXTLSA-N 1 2 373.501 2.331 20 30 FEEDLO Cc1nsc(N2CC[NH+](CC(=O)N3[C@H](C)CCC[C@@H]3C)CC2)c1C#N ZINC000329814445 554010998 /nfs/dbraw/zinc/01/09/98/554010998.db2.gz DRPWYUUVFHHMPI-OKILXGFUSA-N 1 2 361.515 2.235 20 30 FEEDLO COCCN1CCC[N@H+](CC(=O)N[C@H]2CCCc3ccccc32)CC1=O ZINC000329918750 554031716 /nfs/dbraw/zinc/03/17/16/554031716.db2.gz ZZTVGWUNBZTFSR-SFHVURJKSA-N 1 2 359.470 2.201 20 30 FEEDLO COCCN1CCC[N@@H+](CC(=O)N[C@H]2CCCc3ccccc32)CC1=O ZINC000329918750 554031719 /nfs/dbraw/zinc/03/17/19/554031719.db2.gz ZZTVGWUNBZTFSR-SFHVURJKSA-N 1 2 359.470 2.201 20 30 FEEDLO Cc1ccc2[nH+]c(CSCC(=O)NC3CCS(=O)(=O)CC3)cn2c1 ZINC000329927710 554033679 /nfs/dbraw/zinc/03/36/79/554033679.db2.gz XDRNJJBEPWMPSD-UHFFFAOYSA-N 1 2 367.496 2.410 20 30 FEEDLO CCC1(C(=O)NC[C@@H]2C[C@H](F)CN2Cc2[nH+]ccn2C)CCOCC1 ZINC000329937207 554035688 /nfs/dbraw/zinc/03/56/88/554035688.db2.gz LKOLGQAACJWYNJ-GJZGRUSLSA-N 1 2 352.454 2.496 20 30 FEEDLO Cc1ncsc1C[N@H+]1C[C@@H](F)C[C@H]1CN(C)C(=O)NC[C@H]1CCCO1 ZINC000329951938 554037906 /nfs/dbraw/zinc/03/79/06/554037906.db2.gz MYMYOOOZFXMVLA-SOUVJXGZSA-N 1 2 370.494 2.389 20 30 FEEDLO Cc1ncsc1C[N@@H+]1C[C@@H](F)C[C@H]1CN(C)C(=O)NC[C@H]1CCCO1 ZINC000329951938 554037907 /nfs/dbraw/zinc/03/79/07/554037907.db2.gz MYMYOOOZFXMVLA-SOUVJXGZSA-N 1 2 370.494 2.389 20 30 FEEDLO CC(C)O[C@@H]1C[C@H](NC(=O)N2CCN(C)[C@@H](c3[nH+]ccn3C)C2)C1(C)C ZINC000329966104 554040377 /nfs/dbraw/zinc/04/03/77/554040377.db2.gz RNCKNYFORPXHFX-OWCLPIDISA-N 1 2 363.506 2.215 20 30 FEEDLO Cn1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CNC(=O)NC[C@]2(C)CCCS2)cn1 ZINC000329971483 554041402 /nfs/dbraw/zinc/04/14/02/554041402.db2.gz YMOBGOAXTCJXAA-ZOBUZTSGSA-N 1 2 369.510 2.122 20 30 FEEDLO Cn1cc(C[N@H+]2C[C@@H](F)C[C@H]2CNC(=O)NC[C@]2(C)CCCS2)cn1 ZINC000329971483 554041403 /nfs/dbraw/zinc/04/14/03/554041403.db2.gz YMOBGOAXTCJXAA-ZOBUZTSGSA-N 1 2 369.510 2.122 20 30 FEEDLO CCN1CCN(C(=O)N[C@H](C)Cc2c(C)noc2C)C[C@H]1c1[nH]cc[nH+]1 ZINC000329972963 554041505 /nfs/dbraw/zinc/04/15/05/554041505.db2.gz WMFODKHNQOQFQI-WBMJQRKESA-N 1 2 360.462 2.238 20 30 FEEDLO C[C@H](NC(=O)[C@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1)c1ncnn1C ZINC000330012870 554049236 /nfs/dbraw/zinc/04/92/36/554049236.db2.gz LGROJXUOTBZKTQ-KBPBESRZSA-N 1 2 360.437 2.182 20 30 FEEDLO C[C@H]1C[N@H+](CC(=O)Nc2ccc3c(c2)OC(F)(F)O3)C[C@@]2(CCOC2)O1 ZINC000330084617 554061953 /nfs/dbraw/zinc/06/19/53/554061953.db2.gz CEVGHNRPFZEJQP-MEDUHNTESA-N 1 2 370.352 2.476 20 30 FEEDLO C[C@H]1C[N@@H+](CC(=O)Nc2ccc3c(c2)OC(F)(F)O3)C[C@@]2(CCOC2)O1 ZINC000330084617 554061954 /nfs/dbraw/zinc/06/19/54/554061954.db2.gz CEVGHNRPFZEJQP-MEDUHNTESA-N 1 2 370.352 2.476 20 30 FEEDLO C[C@@H]1C[N@H+](CC(=O)NC[C@@H]2Cc3ccccc3O2)C[C@@]2(CCCOC2)O1 ZINC000330144224 554073162 /nfs/dbraw/zinc/07/31/62/554073162.db2.gz ZLHCKJWJQFYAJA-OXFYSEKESA-N 1 2 360.454 2.217 20 30 FEEDLO C[C@@H]1C[N@@H+](CC(=O)NC[C@@H]2Cc3ccccc3O2)C[C@@]2(CCCOC2)O1 ZINC000330144224 554073164 /nfs/dbraw/zinc/07/31/64/554073164.db2.gz ZLHCKJWJQFYAJA-OXFYSEKESA-N 1 2 360.454 2.217 20 30 FEEDLO C=C(C)CN(CC)C(=O)C[NH+]1CCN(C(=O)Cc2ccc(C)cc2)CC1 ZINC000507648531 561736580 /nfs/dbraw/zinc/73/65/80/561736580.db2.gz MJMZXUMANUQCML-UHFFFAOYSA-N 1 2 357.498 2.106 20 30 FEEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1CCS[C@H](C)C1 ZINC000507687953 561737999 /nfs/dbraw/zinc/73/79/99/561737999.db2.gz NHFIJRIKJOJAJO-CYBMUJFWSA-N 1 2 364.515 2.389 20 30 FEEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1CCS[C@H](C)C1 ZINC000507687953 561738000 /nfs/dbraw/zinc/73/80/00/561738000.db2.gz NHFIJRIKJOJAJO-CYBMUJFWSA-N 1 2 364.515 2.389 20 30 FEEDLO C[C@@H]1CCN(C([O-])=[NH+][C@@H]2CCCC[C@H]2S(C)(=O)=O)C[C@@H]1n1cc[nH+]c1 ZINC000330272163 554097391 /nfs/dbraw/zinc/09/73/91/554097391.db2.gz XDUGESCQPDVZIW-LVQVYYBASA-N 1 2 368.503 2.036 20 30 FEEDLO C[C@@H]1CCN(C(=O)N[C@@H]2CCCC[C@H]2S(C)(=O)=O)C[C@@H]1n1cc[nH+]c1 ZINC000330272163 554097393 /nfs/dbraw/zinc/09/73/93/554097393.db2.gz XDUGESCQPDVZIW-LVQVYYBASA-N 1 2 368.503 2.036 20 30 FEEDLO CSC1(CNC(=O)N[C@@H]2CCO[C@@H](c3c[nH+]cn3C)C2)CCOCC1 ZINC000330340775 554108300 /nfs/dbraw/zinc/10/83/00/554108300.db2.gz YKFZSBRTBALLHL-UKRRQHHQSA-N 1 2 368.503 2.056 20 30 FEEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000330351135 554110144 /nfs/dbraw/zinc/11/01/44/554110144.db2.gz LWMYPRJKFQFRBW-UGFHNGPFSA-N 1 2 360.483 2.100 20 30 FEEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000330351135 554110146 /nfs/dbraw/zinc/11/01/46/554110146.db2.gz LWMYPRJKFQFRBW-UGFHNGPFSA-N 1 2 360.483 2.100 20 30 FEEDLO CC(C)(C)C(=O)N1CC[N@H+](CC(=O)NCc2cccc(C#N)c2)C(C)(C)C1 ZINC000330690348 554157903 /nfs/dbraw/zinc/15/79/03/554157903.db2.gz QBWNSDKTHUUILO-UHFFFAOYSA-N 1 2 370.497 2.143 20 30 FEEDLO CC(C)(C)C(=O)N1CC[N@@H+](CC(=O)NCc2cccc(C#N)c2)C(C)(C)C1 ZINC000330690348 554157904 /nfs/dbraw/zinc/15/79/04/554157904.db2.gz QBWNSDKTHUUILO-UHFFFAOYSA-N 1 2 370.497 2.143 20 30 FEEDLO COc1cc(NC(=O)NC[C@@H]2CN(C)CC[N@@H+]2C)cc(OC)c1C(C)C ZINC000330724244 554163164 /nfs/dbraw/zinc/16/31/64/554163164.db2.gz YVAJIFIYBBCAEB-OAHLLOKOSA-N 1 2 364.490 2.399 20 30 FEEDLO COc1cc(NC(=O)NC[C@@H]2CN(C)CC[N@H+]2C)cc(OC)c1C(C)C ZINC000330724244 554163165 /nfs/dbraw/zinc/16/31/65/554163165.db2.gz YVAJIFIYBBCAEB-OAHLLOKOSA-N 1 2 364.490 2.399 20 30 FEEDLO C[C@H](C(=O)NC(=O)NCC(F)(F)F)[N@@H+]1CCO[C@H](C2CCCCC2)C1 ZINC000330897907 554184742 /nfs/dbraw/zinc/18/47/42/554184742.db2.gz UPJYZTDDJDLTEV-YPMHNXCESA-N 1 2 365.396 2.249 20 30 FEEDLO C[C@H](C(=O)NC(=O)NCC(F)(F)F)[N@H+]1CCO[C@H](C2CCCCC2)C1 ZINC000330897907 554184744 /nfs/dbraw/zinc/18/47/44/554184744.db2.gz UPJYZTDDJDLTEV-YPMHNXCESA-N 1 2 365.396 2.249 20 30 FEEDLO CC[N@@H+]1CC[C@@H](NS(=O)(=O)CCC#N)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000331305770 554244925 /nfs/dbraw/zinc/24/49/25/554244925.db2.gz GBAUVPBUZOWOKW-HIFRSBDPSA-N 1 2 361.389 2.072 20 30 FEEDLO CC[N@H+]1CC[C@@H](NS(=O)(=O)CCC#N)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000331305770 554244926 /nfs/dbraw/zinc/24/49/26/554244926.db2.gz GBAUVPBUZOWOKW-HIFRSBDPSA-N 1 2 361.389 2.072 20 30 FEEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000331308856 554245243 /nfs/dbraw/zinc/24/52/43/554245243.db2.gz XLAWEGWGLYKBEM-NEPJUHHUSA-N 1 2 357.380 2.368 20 30 FEEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000331308856 554245245 /nfs/dbraw/zinc/24/52/45/554245245.db2.gz XLAWEGWGLYKBEM-NEPJUHHUSA-N 1 2 357.380 2.368 20 30 FEEDLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)c1 ZINC000510468661 561835376 /nfs/dbraw/zinc/83/53/76/561835376.db2.gz ADKNYCHDNAEAEC-UHFFFAOYSA-N 1 2 372.432 2.410 20 30 FEEDLO CC1CCN(c2ccc(CNC(=O)Nc3nn(C)cc3C#N)c[nH+]2)CC1 ZINC000610561651 554528738 /nfs/dbraw/zinc/52/87/38/554528738.db2.gz ZTFDSLQLKMWYAG-UHFFFAOYSA-N 1 2 353.430 2.245 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C[C@@H]3C(=O)Nc4ccccc43)CC2)cc1 ZINC000361959982 554940951 /nfs/dbraw/zinc/94/09/51/554940951.db2.gz UMNKHMWCUSWEMU-IBGZPJMESA-N 1 2 374.444 2.328 20 30 FEEDLO CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1CC(=O)Nc1oc(C)c(C)c1C#N ZINC000364377647 555302136 /nfs/dbraw/zinc/30/21/36/555302136.db2.gz OTGKFCAPBILBFE-IRXDYDNUSA-N 1 2 358.442 2.182 20 30 FEEDLO CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1CC(=O)Nc1oc(C)c(C)c1C#N ZINC000364377647 555302138 /nfs/dbraw/zinc/30/21/38/555302138.db2.gz OTGKFCAPBILBFE-IRXDYDNUSA-N 1 2 358.442 2.182 20 30 FEEDLO N#Cc1ccc(Br)c(C[N@@H+]2CCC[C@H](N3CCNC3=O)C2)c1 ZINC000365048026 555473225 /nfs/dbraw/zinc/47/32/25/555473225.db2.gz DIZRMOBCWXXUBY-AWEZNQCLSA-N 1 2 363.259 2.310 20 30 FEEDLO N#Cc1ccc(Br)c(C[N@H+]2CCC[C@H](N3CCNC3=O)C2)c1 ZINC000365048026 555473227 /nfs/dbraw/zinc/47/32/27/555473227.db2.gz DIZRMOBCWXXUBY-AWEZNQCLSA-N 1 2 363.259 2.310 20 30 FEEDLO N#Cc1c(F)ccc(C[N@@H+]2CC[C@H](S(=O)(=O)NC3CC3)C2)c1Cl ZINC000365443805 555577307 /nfs/dbraw/zinc/57/73/07/555577307.db2.gz PHGJANSLLDAIKT-LBPRGKRZSA-N 1 2 357.838 2.007 20 30 FEEDLO N#Cc1c(F)ccc(C[N@H+]2CC[C@H](S(=O)(=O)NC3CC3)C2)c1Cl ZINC000365443805 555577310 /nfs/dbraw/zinc/57/73/10/555577310.db2.gz PHGJANSLLDAIKT-LBPRGKRZSA-N 1 2 357.838 2.007 20 30 FEEDLO COc1cc(C#N)ccc1OCC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000365637525 555628934 /nfs/dbraw/zinc/62/89/34/555628934.db2.gz UYXZTSHVJDFTQW-HNNXBMFYSA-N 1 2 354.410 2.085 20 30 FEEDLO COC(=O)[C@@H]1C[N@@H+]([C@H]2CCN(c3sccc3C#N)C2=O)CC12CCC2 ZINC000365708625 555646206 /nfs/dbraw/zinc/64/62/06/555646206.db2.gz APWLOGOEYCIDHV-KBPBESRZSA-N 1 2 359.451 2.000 20 30 FEEDLO COC(=O)[C@@H]1C[N@H+]([C@H]2CCN(c3sccc3C#N)C2=O)CC12CCC2 ZINC000365708625 555646211 /nfs/dbraw/zinc/64/62/11/555646211.db2.gz APWLOGOEYCIDHV-KBPBESRZSA-N 1 2 359.451 2.000 20 30 FEEDLO N#Cc1cccc(CNC(=O)C[N@@H+](Cc2ccco2)C[C@H]2CCCO2)c1 ZINC000513643980 561945754 /nfs/dbraw/zinc/94/57/54/561945754.db2.gz YOAWAWFMCVTGIV-LJQANCHMSA-N 1 2 353.422 2.449 20 30 FEEDLO N#Cc1cccc(CNC(=O)C[N@H+](Cc2ccco2)C[C@H]2CCCO2)c1 ZINC000513643980 561945755 /nfs/dbraw/zinc/94/57/55/561945755.db2.gz YOAWAWFMCVTGIV-LJQANCHMSA-N 1 2 353.422 2.449 20 30 FEEDLO CC(C)c1nc2n(n1)CCC[C@H]2[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000514598722 561968867 /nfs/dbraw/zinc/96/88/67/561968867.db2.gz IWKORZXULGXHEV-MRXNPFEDSA-N 1 2 373.482 2.172 20 30 FEEDLO N#CCCN(C(=O)C[NH+]1CCN(c2ccc(F)cn2)CC1)c1ccccc1 ZINC000367719283 556122363 /nfs/dbraw/zinc/12/23/63/556122363.db2.gz IDSOGUQPONSNNZ-UHFFFAOYSA-N 1 2 367.428 2.290 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C3(C4CC4)CCOCC3)CC2)cc1 ZINC000368134077 556226914 /nfs/dbraw/zinc/22/69/14/556226914.db2.gz IOLDKELZTXJGGL-UHFFFAOYSA-N 1 2 353.466 2.409 20 30 FEEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000368467014 556318630 /nfs/dbraw/zinc/31/86/30/556318630.db2.gz UHMCLSKTXDCBPR-BODMPHMZSA-N 1 2 372.444 2.047 20 30 FEEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000368467014 556318633 /nfs/dbraw/zinc/31/86/33/556318633.db2.gz UHMCLSKTXDCBPR-BODMPHMZSA-N 1 2 372.444 2.047 20 30 FEEDLO C=CCCCCCNC(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000515309329 562004638 /nfs/dbraw/zinc/00/46/38/562004638.db2.gz DWHSZRARUWCBCB-KRWDZBQOSA-N 1 2 350.507 2.071 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)c1 ZINC000368975647 556464684 /nfs/dbraw/zinc/46/46/84/556464684.db2.gz RUSKITJZQSSUQS-HQRMLTQVSA-N 1 2 368.481 2.136 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)c1 ZINC000368975647 556464686 /nfs/dbraw/zinc/46/46/86/556464686.db2.gz RUSKITJZQSSUQS-HQRMLTQVSA-N 1 2 368.481 2.136 20 30 FEEDLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000369863550 556716090 /nfs/dbraw/zinc/71/60/90/556716090.db2.gz WEPWFWVIWMLFHZ-MISYRCLQSA-N 1 2 369.513 2.104 20 30 FEEDLO N#Cc1ccccc1N1CCC(CNC(=O)NCCCn2cc[nH+]c2)CC1 ZINC000369896021 556724032 /nfs/dbraw/zinc/72/40/32/556724032.db2.gz OATVPFGNZWJQFE-UHFFFAOYSA-N 1 2 366.469 2.361 20 30 FEEDLO Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)NC[C@@H](C)Cn3cc[nH+]c3)C2)n1 ZINC000370028041 556761492 /nfs/dbraw/zinc/76/14/92/556761492.db2.gz SKBINCDJOJOANB-CRAIPNDOSA-N 1 2 366.469 2.127 20 30 FEEDLO Cc1oc(NC(=O)C[N@H+]2CCC[C@H]2C[C@@H](O)c2cnn(C)c2)c(C#N)c1C ZINC000371334231 557149590 /nfs/dbraw/zinc/14/95/90/557149590.db2.gz DQSKAAZPICKPOI-DOTOQJQBSA-N 1 2 371.441 2.028 20 30 FEEDLO Cc1oc(NC(=O)C[N@@H+]2CCC[C@H]2C[C@@H](O)c2cnn(C)c2)c(C#N)c1C ZINC000371334231 557149592 /nfs/dbraw/zinc/14/95/92/557149592.db2.gz DQSKAAZPICKPOI-DOTOQJQBSA-N 1 2 371.441 2.028 20 30 FEEDLO C[C@@H](NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000371334365 557150262 /nfs/dbraw/zinc/15/02/62/557150262.db2.gz FIXZAYPNOZLDIW-IAGOWNOFSA-N 1 2 368.481 2.466 20 30 FEEDLO N#C[C@@H]1C[N@@H+](Cc2c[nH]nc2-c2cccnc2)C[C@]12C(=O)Nc1ccccc12 ZINC000371465927 557190017 /nfs/dbraw/zinc/19/00/17/557190017.db2.gz JNEQBGFMGHDCTG-IERDGZPVSA-N 1 2 370.416 2.317 20 30 FEEDLO N#C[C@@H]1C[N@H+](Cc2c[nH]nc2-c2cccnc2)C[C@]12C(=O)Nc1ccccc12 ZINC000371465927 557190021 /nfs/dbraw/zinc/19/00/21/557190021.db2.gz JNEQBGFMGHDCTG-IERDGZPVSA-N 1 2 370.416 2.317 20 30 FEEDLO N#Cc1cccc(CNC(=O)C[N@@H+]2CCO[C@@]3(CCc4ccccc43)C2)c1 ZINC000372190214 557404461 /nfs/dbraw/zinc/40/44/61/557404461.db2.gz BSKKHUOIKKNREY-QFIPXVFZSA-N 1 2 361.445 2.348 20 30 FEEDLO N#Cc1cccc(CNC(=O)C[N@H+]2CCO[C@@]3(CCc4ccccc43)C2)c1 ZINC000372190214 557404465 /nfs/dbraw/zinc/40/44/65/557404465.db2.gz BSKKHUOIKKNREY-QFIPXVFZSA-N 1 2 361.445 2.348 20 30 FEEDLO COC(=O)CN1CCC[N@@H+](Cc2cc(C#N)ccc2Br)CC1 ZINC000372804924 557565699 /nfs/dbraw/zinc/56/56/99/557565699.db2.gz NJZWUTSPLWDOPN-UHFFFAOYSA-N 1 2 366.259 2.001 20 30 FEEDLO COC(=O)CN1CCC[N@H+](Cc2cc(C#N)ccc2Br)CC1 ZINC000372804924 557565697 /nfs/dbraw/zinc/56/56/97/557565697.db2.gz NJZWUTSPLWDOPN-UHFFFAOYSA-N 1 2 366.259 2.001 20 30 FEEDLO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000520412946 562156046 /nfs/dbraw/zinc/15/60/46/562156046.db2.gz GQTFUHVBZPLKQT-CJNGLKHVSA-N 1 2 370.906 2.116 20 30 FEEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+](C)C[C@@H]1CCCN1c1cccnn1 ZINC000374208026 557843345 /nfs/dbraw/zinc/84/33/45/557843345.db2.gz KPNGGJGQJLFJKJ-PKOBYXMFSA-N 1 2 365.437 2.163 20 30 FEEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@H]1CCCN1c1cccnn1 ZINC000374208026 557843348 /nfs/dbraw/zinc/84/33/48/557843348.db2.gz KPNGGJGQJLFJKJ-PKOBYXMFSA-N 1 2 365.437 2.163 20 30 FEEDLO Cc1ccc2[nH+]c(CN3C[C@@H](C#N)[C@@]4(C3)c3ccccc3NC4=O)cn2c1 ZINC000374347195 557869246 /nfs/dbraw/zinc/86/92/46/557869246.db2.gz BNVRKKUMSAHHJF-VFNWGFHPSA-N 1 2 357.417 2.488 20 30 FEEDLO Cc1ccc2[nH+]c(CN3C[C@@H](C#N)[C@]4(C3)c3ccccc3NC4=O)cn2c1 ZINC000374347192 557869292 /nfs/dbraw/zinc/86/92/92/557869292.db2.gz BNVRKKUMSAHHJF-QVKFZJNVSA-N 1 2 357.417 2.488 20 30 FEEDLO C=CCOc1ccc(C(=O)N2CC[NH2+][C@@H](c3cccnc3)C2)cc1OC ZINC000374361952 557871614 /nfs/dbraw/zinc/87/16/14/557871614.db2.gz YAPMUUBCFOZENE-QGZVFWFLSA-N 1 2 353.422 2.442 20 30 FEEDLO COc1ccccc1[C@@H]1CN(C(=O)Cc2ccc(OCC#N)cc2)CC[NH2+]1 ZINC000374362074 557871780 /nfs/dbraw/zinc/87/17/80/557871780.db2.gz CNOXWZNQAZWRSQ-IBGZPJMESA-N 1 2 365.433 2.313 20 30 FEEDLO COC(=O)c1cccc(C[N@@H+]2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)c1 ZINC000374363639 557872014 /nfs/dbraw/zinc/87/20/14/557872014.db2.gz CPCKWSPURVRIAT-KKSFZXQISA-N 1 2 361.401 2.319 20 30 FEEDLO COC(=O)c1cccc(C[N@H+]2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)c1 ZINC000374363639 557872016 /nfs/dbraw/zinc/87/20/16/557872016.db2.gz CPCKWSPURVRIAT-KKSFZXQISA-N 1 2 361.401 2.319 20 30 FEEDLO CN(C)c1noc([C@H]2CCC[N@@H+]2CCC(=O)Nc2sccc2C#N)n1 ZINC000374537917 557896800 /nfs/dbraw/zinc/89/68/00/557896800.db2.gz OZFURTADVGEYGD-GFCCVEGCSA-N 1 2 360.443 2.234 20 30 FEEDLO CN(C)c1noc([C@H]2CCC[N@H+]2CCC(=O)Nc2sccc2C#N)n1 ZINC000374537917 557896802 /nfs/dbraw/zinc/89/68/02/557896802.db2.gz OZFURTADVGEYGD-GFCCVEGCSA-N 1 2 360.443 2.234 20 30 FEEDLO C=C1CC[NH+](CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)OC)CC1 ZINC000521252373 562172980 /nfs/dbraw/zinc/17/29/80/562172980.db2.gz INMUOKIYILBOOU-SFHVURJKSA-N 1 2 355.438 2.020 20 30 FEEDLO C=C(C)Cn1c([C@H](C)CC)nnc1N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000521373401 562175289 /nfs/dbraw/zinc/17/52/89/562175289.db2.gz HMFPDMDFPXXUPR-CVEARBPZSA-N 1 2 374.533 2.157 20 30 FEEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CC[C@@H](OCc3ccncc3)C2)c1 ZINC000376517558 558184575 /nfs/dbraw/zinc/18/45/75/558184575.db2.gz JXWZJGYIWKLJFS-GOSISDBHSA-N 1 2 371.462 2.018 20 30 FEEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CC[C@@H](OCc3ccncc3)C2)c1 ZINC000376517558 558184577 /nfs/dbraw/zinc/18/45/77/558184577.db2.gz JXWZJGYIWKLJFS-GOSISDBHSA-N 1 2 371.462 2.018 20 30 FEEDLO N#Cc1cc(Cl)ccc1S(=O)(=O)N1CC[NH+]([C@H]2CCSC2)CC1 ZINC000377023336 558252675 /nfs/dbraw/zinc/25/26/75/558252675.db2.gz PRJXMLKTEVTNBU-AWEZNQCLSA-N 1 2 371.915 2.023 20 30 FEEDLO C=C(CNC(=O)N1CCC[N@@H+](CC(=O)NC(C)(C)C)CC1)c1ccccc1 ZINC000377040609 558254604 /nfs/dbraw/zinc/25/46/04/558254604.db2.gz DRSAFMKUKGIATL-UHFFFAOYSA-N 1 2 372.513 2.332 20 30 FEEDLO C=C(CNC(=O)N1CCC[N@H+](CC(=O)NC(C)(C)C)CC1)c1ccccc1 ZINC000377040609 558254606 /nfs/dbraw/zinc/25/46/06/558254606.db2.gz DRSAFMKUKGIATL-UHFFFAOYSA-N 1 2 372.513 2.332 20 30 FEEDLO C[N@@H+]1CCO[C@H]2CCN(C(=O)c3cn(CCCC#N)c4ccccc34)C[C@@H]21 ZINC000521918775 562186448 /nfs/dbraw/zinc/18/64/48/562186448.db2.gz NXJSDAWLYLPJDY-PMACEKPBSA-N 1 2 366.465 2.490 20 30 FEEDLO C[N@H+]1CCO[C@H]2CCN(C(=O)c3cn(CCCC#N)c4ccccc34)C[C@@H]21 ZINC000521918775 562186449 /nfs/dbraw/zinc/18/64/49/562186449.db2.gz NXJSDAWLYLPJDY-PMACEKPBSA-N 1 2 366.465 2.490 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2Cc3ccccc3C3(CC3)C2)nc1 ZINC000377597043 558373659 /nfs/dbraw/zinc/37/36/59/558373659.db2.gz XYSUVUOAKOVFJG-UHFFFAOYSA-N 1 2 353.447 2.274 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2Cc3ccccc3C3(CC3)C2)nc1 ZINC000377597043 558373662 /nfs/dbraw/zinc/37/36/62/558373662.db2.gz XYSUVUOAKOVFJG-UHFFFAOYSA-N 1 2 353.447 2.274 20 30 FEEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CC[C@@H](n3cc(Cl)cn3)C2)c1 ZINC000377770147 558416705 /nfs/dbraw/zinc/41/67/05/558416705.db2.gz BVYJATMGUBNYMH-OAHLLOKOSA-N 1 2 364.858 2.129 20 30 FEEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CC[C@@H](n3cc(Cl)cn3)C2)c1 ZINC000377770147 558416707 /nfs/dbraw/zinc/41/67/07/558416707.db2.gz BVYJATMGUBNYMH-OAHLLOKOSA-N 1 2 364.858 2.129 20 30 FEEDLO C[C@H]1C[N@H+](CCNC(=O)c2occc2COc2cccc(C#N)c2)CCO1 ZINC000523283871 562210412 /nfs/dbraw/zinc/21/04/12/562210412.db2.gz HLJCQZKMXZDKDI-HNNXBMFYSA-N 1 2 369.421 2.181 20 30 FEEDLO C[C@H]1C[N@@H+](CCNC(=O)c2occc2COc2cccc(C#N)c2)CCO1 ZINC000523283871 562210413 /nfs/dbraw/zinc/21/04/13/562210413.db2.gz HLJCQZKMXZDKDI-HNNXBMFYSA-N 1 2 369.421 2.181 20 30 FEEDLO C=CCS(=O)(=O)CCNC(=O)[C@@H]1CCCC[N@H+]1Cc1cccc(C)c1 ZINC000378636316 558598922 /nfs/dbraw/zinc/59/89/22/558598922.db2.gz WOVGQHNSWYWNQK-SFHVURJKSA-N 1 2 364.511 2.067 20 30 FEEDLO C=CCS(=O)(=O)CCNC(=O)[C@@H]1CCCC[N@@H+]1Cc1cccc(C)c1 ZINC000378636316 558598924 /nfs/dbraw/zinc/59/89/24/558598924.db2.gz WOVGQHNSWYWNQK-SFHVURJKSA-N 1 2 364.511 2.067 20 30 FEEDLO C[C@@H]1CN(S(=O)(=O)c2cccc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000396344181 558623386 /nfs/dbraw/zinc/62/33/86/558623386.db2.gz CAFBXSWRBAVUJI-MRXNPFEDSA-N 1 2 355.463 2.453 20 30 FEEDLO C[C@@H]1CN(S(=O)(=O)c2cccc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000396344181 558623388 /nfs/dbraw/zinc/62/33/88/558623388.db2.gz CAFBXSWRBAVUJI-MRXNPFEDSA-N 1 2 355.463 2.453 20 30 FEEDLO C=CCNC(=O)C[NH2+]Cc1cc(Cl)ccc1I ZINC000405227991 558632300 /nfs/dbraw/zinc/63/23/00/558632300.db2.gz UIZNKZKZNKOXMG-UHFFFAOYSA-N 1 2 364.614 2.336 20 30 FEEDLO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000408182916 558654848 /nfs/dbraw/zinc/65/48/48/558654848.db2.gz OBERNPDWIYDVRM-GXTWGEPZSA-N 1 2 353.875 2.459 20 30 FEEDLO C[C@H]1C[N@H+]2CCCC[C@@H]2CN1S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000408182916 558654849 /nfs/dbraw/zinc/65/48/49/558654849.db2.gz OBERNPDWIYDVRM-GXTWGEPZSA-N 1 2 353.875 2.459 20 30 FEEDLO Cc1cc(C#N)ccc1S(=O)(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000524890812 562237173 /nfs/dbraw/zinc/23/71/73/562237173.db2.gz LESGUMVVSJSMFA-UHFFFAOYSA-N 1 2 355.463 2.203 20 30 FEEDLO Cc1cc(C#N)ccc1S(=O)(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000524890812 562237174 /nfs/dbraw/zinc/23/71/74/562237174.db2.gz LESGUMVVSJSMFA-UHFFFAOYSA-N 1 2 355.463 2.203 20 30 FEEDLO C=CC[N@@H+](Cc1nnc(CC)n1C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000524959005 562238473 /nfs/dbraw/zinc/23/84/73/562238473.db2.gz HETGZYRNKMFDCA-AWEZNQCLSA-N 1 2 352.446 2.102 20 30 FEEDLO C=CC[N@H+](Cc1nnc(CC)n1C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000524959005 562238474 /nfs/dbraw/zinc/23/84/74/562238474.db2.gz HETGZYRNKMFDCA-AWEZNQCLSA-N 1 2 352.446 2.102 20 30 FEEDLO CC(C)OCCS(=O)(=O)N1CC[NH+](CCC2(C#N)CCCCC2)CC1 ZINC000411309495 558873944 /nfs/dbraw/zinc/87/39/44/558873944.db2.gz RGBKVRGDKFXWGB-UHFFFAOYSA-N 1 2 371.547 2.223 20 30 FEEDLO C[C@H]1CN(C(=O)C(=O)Nc2sccc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000411817540 558969307 /nfs/dbraw/zinc/96/93/07/558969307.db2.gz GYLUVLGWOORVGA-AWEZNQCLSA-N 1 2 368.462 2.291 20 30 FEEDLO C[C@H]1CN(C(=O)C(=O)Nc2sccc2C#N)CC[N@H+]1Cc1ccccc1 ZINC000411817540 558969308 /nfs/dbraw/zinc/96/93/08/558969308.db2.gz GYLUVLGWOORVGA-AWEZNQCLSA-N 1 2 368.462 2.291 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CC[C@@]2(C1)CC(=O)c1ccccc1O2 ZINC000411977760 558998671 /nfs/dbraw/zinc/99/86/71/558998671.db2.gz GMUZIMJZRVLFNV-UXHICEINSA-N 1 2 355.438 2.151 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CC[C@@]2(C1)CC(=O)c1ccccc1O2 ZINC000411977760 558998672 /nfs/dbraw/zinc/99/86/72/558998672.db2.gz GMUZIMJZRVLFNV-UXHICEINSA-N 1 2 355.438 2.151 20 30 FEEDLO CNC(=O)NC1CC[NH+](Cc2ccc(Br)cc2C#N)CC1 ZINC000412056838 559007806 /nfs/dbraw/zinc/00/78/06/559007806.db2.gz VCBUABCTSNBPDS-UHFFFAOYSA-N 1 2 351.248 2.214 20 30 FEEDLO C[N@H+](CCC#N)C[C@@H](O)CSc1nc(C2CC2)n(-c2ccccc2)n1 ZINC000414102161 559149308 /nfs/dbraw/zinc/14/93/08/559149308.db2.gz VAOIWTYVEYCUMZ-MRXNPFEDSA-N 1 2 357.483 2.443 20 30 FEEDLO C[N@@H+](CCC#N)C[C@@H](O)CSc1nc(C2CC2)n(-c2ccccc2)n1 ZINC000414102161 559149309 /nfs/dbraw/zinc/14/93/09/559149309.db2.gz VAOIWTYVEYCUMZ-MRXNPFEDSA-N 1 2 357.483 2.443 20 30 FEEDLO CCN1CCN(Cc2nnc(-c3cccc(C#N)c3)o2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000527068526 562275481 /nfs/dbraw/zinc/27/54/81/562275481.db2.gz WURPPJDCXIFPQD-MRXNPFEDSA-N 1 2 363.425 2.210 20 30 FEEDLO CC[N@@H+]1CC[C@H](NS(=O)(=O)[C@@H](C)C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000416447163 559313509 /nfs/dbraw/zinc/31/35/09/559313509.db2.gz BMUDMNUOIZCTJF-NZVBXONLSA-N 1 2 359.854 2.446 20 30 FEEDLO CC[N@H+]1CC[C@H](NS(=O)(=O)[C@@H](C)C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000416447163 559313510 /nfs/dbraw/zinc/31/35/10/559313510.db2.gz BMUDMNUOIZCTJF-NZVBXONLSA-N 1 2 359.854 2.446 20 30 FEEDLO CC(C)(CNC(=O)N[C@H]1CCCc2cc(C#N)ccc21)[NH+]1CCOCC1 ZINC000416673900 559329064 /nfs/dbraw/zinc/32/90/64/559329064.db2.gz VDYONGQAHDHNRD-SFHVURJKSA-N 1 2 356.470 2.346 20 30 FEEDLO CC[C@H]1C[C@H](NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCO1 ZINC000420883954 559509295 /nfs/dbraw/zinc/50/92/95/559509295.db2.gz APGBYUKWUMBKRS-MOPGFXCFSA-N 1 2 356.470 2.343 20 30 FEEDLO Cc1ccccc1[C@H](OC[C@@H](O)C[NH+]1CC(O)(CC#N)C1)c1ccccc1 ZINC000424130481 559655663 /nfs/dbraw/zinc/65/56/63/559655663.db2.gz FJQKHGHNVHTANF-PZJWPPBQSA-N 1 2 366.461 2.422 20 30 FEEDLO C=CCn1cc(C[NH2+][C@@H](CC)c2ccccc2OCC(=O)N(C)C)nn1 ZINC000424290883 559660854 /nfs/dbraw/zinc/66/08/54/559660854.db2.gz CJOWJKWWXIYOBK-KRWDZBQOSA-N 1 2 357.458 2.172 20 30 FEEDLO Cc1cc(NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)c(C#N)c[nH+]1 ZINC000425197341 559690709 /nfs/dbraw/zinc/69/07/09/559690709.db2.gz BOHJXBNAFKKMPE-UHFFFAOYSA-N 1 2 370.478 2.470 20 30 FEEDLO CC(C)(C)OC(=O)C[NH2+][C@]1(C)CCN(c2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000425263099 559694124 /nfs/dbraw/zinc/69/41/24/559694124.db2.gz TYGLPTZFAZECSD-GOSISDBHSA-N 1 2 360.414 2.367 20 30 FEEDLO C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1S(=O)(=O)c1cccnc1C#N ZINC000428410032 559774973 /nfs/dbraw/zinc/77/49/73/559774973.db2.gz DEDRVOGMZLPLKT-JKSUJKDBSA-N 1 2 370.478 2.237 20 30 FEEDLO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1S(=O)(=O)c1cccnc1C#N ZINC000428410032 559774974 /nfs/dbraw/zinc/77/49/74/559774974.db2.gz DEDRVOGMZLPLKT-JKSUJKDBSA-N 1 2 370.478 2.237 20 30 FEEDLO C=CCN1C(=O)N([C@H](C)[C@@H](C)[NH+]2CCOCC2)C(=O)[C@@H]1Cc1ccccc1 ZINC000431401626 559838728 /nfs/dbraw/zinc/83/87/28/559838728.db2.gz OZRIRPHWKJRLNX-LMMKCTJWSA-N 1 2 371.481 2.157 20 30 FEEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)NC1CCC(Oc2ncccc2C#N)CC1 ZINC000527352801 562286241 /nfs/dbraw/zinc/28/62/41/562286241.db2.gz UOQADEHXZDPNEX-OOHWJJMZSA-N 1 2 368.441 2.228 20 30 FEEDLO C[N@@H+]1CCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)C(C)(C)C1 ZINC000433880708 559889643 /nfs/dbraw/zinc/88/96/43/559889643.db2.gz BMPCULVAODJCII-UHFFFAOYSA-N 1 2 372.288 2.035 20 30 FEEDLO C[N@H+]1CCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)C(C)(C)C1 ZINC000433880708 559889644 /nfs/dbraw/zinc/88/96/44/559889644.db2.gz BMPCULVAODJCII-UHFFFAOYSA-N 1 2 372.288 2.035 20 30 FEEDLO C=C(C)[C@H](CC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1)OCC ZINC000437983513 559972428 /nfs/dbraw/zinc/97/24/28/559972428.db2.gz YJCRHZFKAIWTFX-AABGKKOBSA-N 1 2 358.482 2.470 20 30 FEEDLO C=C(C)[C@H](CC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1)OCC ZINC000437983513 559972429 /nfs/dbraw/zinc/97/24/29/559972429.db2.gz YJCRHZFKAIWTFX-AABGKKOBSA-N 1 2 358.482 2.470 20 30 FEEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000438650925 559981820 /nfs/dbraw/zinc/98/18/20/559981820.db2.gz LOVRNYYZLYFFOD-NSHDSACASA-N 1 2 356.348 2.419 20 30 FEEDLO C[C@H]1COCC[N@H+]1CCNC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000438650925 559981821 /nfs/dbraw/zinc/98/18/21/559981821.db2.gz LOVRNYYZLYFFOD-NSHDSACASA-N 1 2 356.348 2.419 20 30 FEEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCOC[C@H]1[C@@H]1CCCC1=O ZINC000439428005 559993702 /nfs/dbraw/zinc/99/37/02/559993702.db2.gz FJWSCDKEMAGDCE-QYZOEREBSA-N 1 2 359.466 2.225 20 30 FEEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCOC[C@H]1[C@@H]1CCCC1=O ZINC000439428005 559993703 /nfs/dbraw/zinc/99/37/03/559993703.db2.gz FJWSCDKEMAGDCE-QYZOEREBSA-N 1 2 359.466 2.225 20 30 FEEDLO CC(C)(C)OC(=O)C[NH2+][C@@]1(C)CCN(c2cc(C#N)ccc2[N+](=O)[O-])C1 ZINC000440649630 560015452 /nfs/dbraw/zinc/01/54/52/560015452.db2.gz HGQYCQXTDGZEIX-SFHVURJKSA-N 1 2 360.414 2.367 20 30 FEEDLO Cc1cccc(NC(=O)C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)c1C#N ZINC000441580271 560035875 /nfs/dbraw/zinc/03/58/75/560035875.db2.gz LLXLRGJWANTQFZ-UHFFFAOYSA-N 1 2 367.796 2.423 20 30 FEEDLO Cc1ccc(C[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)c(N2CCOCC2)c1 ZINC000441739261 560038427 /nfs/dbraw/zinc/03/84/27/560038427.db2.gz QKPJZBBKSIYPLE-HXUWFJFHSA-N 1 2 364.449 2.020 20 30 FEEDLO Cn1c[nH+]cc1CC(=O)N1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000527480847 562289491 /nfs/dbraw/zinc/28/94/91/562289491.db2.gz IUFMNCFMJCLOMH-KRWDZBQOSA-N 1 2 357.845 2.025 20 30 FEEDLO COc1ccccc1[C@@H](CNS(=O)(=O)c1cccc(C)c1C#N)[NH+](C)C ZINC000443087677 560070118 /nfs/dbraw/zinc/07/01/18/560070118.db2.gz QMDYYJXEKWOCKN-QGZVFWFLSA-N 1 2 373.478 2.457 20 30 FEEDLO Cc1[nH]c(C#N)cc1C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000448754194 560197935 /nfs/dbraw/zinc/19/79/35/560197935.db2.gz RXLMXISXYKYHTH-LJQANCHMSA-N 1 2 352.438 2.307 20 30 FEEDLO CN(C)c1ncccc1O[C@H]1CC[N@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000451031203 560283579 /nfs/dbraw/zinc/28/35/79/560283579.db2.gz VUXHBKOVFSPPOA-KRWDZBQOSA-N 1 2 365.437 2.111 20 30 FEEDLO CN(C)c1ncccc1O[C@H]1CC[N@@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000451031203 560283580 /nfs/dbraw/zinc/28/35/80/560283580.db2.gz VUXHBKOVFSPPOA-KRWDZBQOSA-N 1 2 365.437 2.111 20 30 FEEDLO N#Cc1ccc(NC(=O)C[N@@H+]2C[C@@H](c3ccccc3)[C@@](F)(CO)C2)cc1 ZINC000451257581 560296362 /nfs/dbraw/zinc/29/63/62/560296362.db2.gz GLDGSNXNFWWRRV-ICSRJNTNSA-N 1 2 353.397 2.297 20 30 FEEDLO N#Cc1ccc(NC(=O)C[N@H+]2C[C@@H](c3ccccc3)[C@@](F)(CO)C2)cc1 ZINC000451257581 560296363 /nfs/dbraw/zinc/29/63/63/560296363.db2.gz GLDGSNXNFWWRRV-ICSRJNTNSA-N 1 2 353.397 2.297 20 30 FEEDLO CN(C(=O)C[NH2+]C(C)(C)c1nnc2n1CCCC2)C1(C#N)CCCCC1 ZINC000451411969 560305383 /nfs/dbraw/zinc/30/53/83/560305383.db2.gz NJLSBOQJSNXLEW-UHFFFAOYSA-N 1 2 358.490 2.124 20 30 FEEDLO N#CCCN(C(=O)C[N@H+]1CC[C@](O)(C(F)F)C1)c1cccc(Cl)c1 ZINC000451437450 560306994 /nfs/dbraw/zinc/30/69/94/560306994.db2.gz LSXXPJKJGNDIRF-MRXNPFEDSA-N 1 2 357.788 2.289 20 30 FEEDLO N#CCCN(C(=O)C[N@@H+]1CC[C@](O)(C(F)F)C1)c1cccc(Cl)c1 ZINC000451437450 560306995 /nfs/dbraw/zinc/30/69/95/560306995.db2.gz LSXXPJKJGNDIRF-MRXNPFEDSA-N 1 2 357.788 2.289 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@@H+]1CCN(CC(F)(F)F)C[C@@H](C)C1 ZINC000451877727 560333730 /nfs/dbraw/zinc/33/37/30/560333730.db2.gz JXTCJVWNMYTNLB-IJEWVQPXSA-N 1 2 362.440 2.245 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@H+]1CCN(CC(F)(F)F)C[C@@H](C)C1 ZINC000451877727 560333731 /nfs/dbraw/zinc/33/37/31/560333731.db2.gz JXTCJVWNMYTNLB-IJEWVQPXSA-N 1 2 362.440 2.245 20 30 FEEDLO COC(=O)[C@@H]1C[N@H+](CC(=O)Nc2sccc2C#N)C[C@@H]1c1ccccc1 ZINC000452006336 560345035 /nfs/dbraw/zinc/34/50/35/560345035.db2.gz NXKIINQTGYKFLL-HZPDHXFCSA-N 1 2 369.446 2.447 20 30 FEEDLO COC(=O)[C@@H]1C[N@@H+](CC(=O)Nc2sccc2C#N)C[C@@H]1c1ccccc1 ZINC000452006336 560345036 /nfs/dbraw/zinc/34/50/36/560345036.db2.gz NXKIINQTGYKFLL-HZPDHXFCSA-N 1 2 369.446 2.447 20 30 FEEDLO COc1ccc(N2CC[NH+]([C@@H](C)C(=O)Nc3cccc(C#N)c3)CC2)nc1 ZINC000452060491 560348856 /nfs/dbraw/zinc/34/88/56/560348856.db2.gz RMYJHFOOBRRMNQ-HNNXBMFYSA-N 1 2 365.437 2.111 20 30 FEEDLO Cc1cc(C#N)cc(NC(=O)C(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1 ZINC000453663675 560394616 /nfs/dbraw/zinc/39/46/16/560394616.db2.gz COUZXYKCULRATR-HNNXBMFYSA-N 1 2 365.437 2.020 20 30 FEEDLO N#CCc1ccc(NC(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)c(Cl)c1 ZINC000455708512 560492553 /nfs/dbraw/zinc/49/25/53/560492553.db2.gz UMPZGCLYYSFSMG-UHFFFAOYSA-N 1 2 358.833 2.479 20 30 FEEDLO N#CCCCNC(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000455955951 560501853 /nfs/dbraw/zinc/50/18/53/560501853.db2.gz OJOZNXGXGHGIGB-UHFFFAOYSA-N 1 2 368.235 2.106 20 30 FEEDLO Cc1cc(C#N)cc(NC(=O)c2ccccc2S(=O)(=O)CC[NH+](C)C)c1 ZINC000456962315 560540775 /nfs/dbraw/zinc/54/07/75/560540775.db2.gz JGGFOYGJHHNUSR-UHFFFAOYSA-N 1 2 371.462 2.454 20 30 FEEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccn(C)n1 ZINC000459802565 560709537 /nfs/dbraw/zinc/70/95/37/560709537.db2.gz YQKUXDJXOPMFCK-GJZGRUSLSA-N 1 2 355.442 2.415 20 30 FEEDLO C=C[C@@H](CO)NC(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000460276063 560740228 /nfs/dbraw/zinc/74/02/28/560740228.db2.gz KAADGPPSQIBRFB-GJZGRUSLSA-N 1 2 355.841 2.290 20 30 FEEDLO C=C[C@@H](CO)NC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000460276063 560740229 /nfs/dbraw/zinc/74/02/29/560740229.db2.gz KAADGPPSQIBRFB-GJZGRUSLSA-N 1 2 355.841 2.290 20 30 FEEDLO C=C[C@H](CO)NC(=O)N[C@H]1CC[N@@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000460876659 560754064 /nfs/dbraw/zinc/75/40/64/560754064.db2.gz AYBUVHYGVDXUSO-DIOULYMOSA-N 1 2 357.376 2.085 20 30 FEEDLO C=C[C@H](CO)NC(=O)N[C@H]1CC[N@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000460876659 560754065 /nfs/dbraw/zinc/75/40/65/560754065.db2.gz AYBUVHYGVDXUSO-DIOULYMOSA-N 1 2 357.376 2.085 20 30 FEEDLO C=C[C@H](CO)NC(=O)N[C@@H]1CC[N@@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000460876660 560754180 /nfs/dbraw/zinc/75/41/80/560754180.db2.gz AYBUVHYGVDXUSO-DJSGYFEHSA-N 1 2 357.376 2.085 20 30 FEEDLO C=C[C@H](CO)NC(=O)N[C@@H]1CC[N@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000460876660 560754181 /nfs/dbraw/zinc/75/41/81/560754181.db2.gz AYBUVHYGVDXUSO-DJSGYFEHSA-N 1 2 357.376 2.085 20 30 FEEDLO N#Cc1ccc(OCCNC(=O)c2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000461182552 560763080 /nfs/dbraw/zinc/76/30/80/560763080.db2.gz SQFJYGKKKQZCKF-UHFFFAOYSA-N 1 2 365.433 2.199 20 30 FEEDLO N#Cc1cccc(-n2ccc(C(=O)N3CC[NH+](Cc4cccnc4)CC3)n2)c1 ZINC000467006286 560901256 /nfs/dbraw/zinc/90/12/56/560901256.db2.gz GYBACFBNQUHTCH-UHFFFAOYSA-N 1 2 372.432 2.097 20 30 FEEDLO CCOC(=O)[C@@H]1C[N@@H+]([C@H](C)C(=O)NC2(C#N)CCC2)Cc2ccccc21 ZINC000469732126 560963101 /nfs/dbraw/zinc/96/31/01/560963101.db2.gz YXGAERZVRXWMPR-RHSMWYFYSA-N 1 2 355.438 2.100 20 30 FEEDLO CCOC(=O)[C@@H]1C[N@H+]([C@H](C)C(=O)NC2(C#N)CCC2)Cc2ccccc21 ZINC000469732126 560963102 /nfs/dbraw/zinc/96/31/02/560963102.db2.gz YXGAERZVRXWMPR-RHSMWYFYSA-N 1 2 355.438 2.100 20 30 FEEDLO C[C@@H]([NH2+][C@H](C)c1nc(Cc2ccccc2)no1)C(=O)NC1(C#N)CCC1 ZINC000469771282 560964359 /nfs/dbraw/zinc/96/43/59/560964359.db2.gz ZENVBQKGZJINTF-ZIAGYGMSSA-N 1 2 353.426 2.262 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCSC[C@H]2CCO)c1 ZINC000470364471 560979702 /nfs/dbraw/zinc/97/97/02/560979702.db2.gz LQYHTNYSVGJHFD-QGZVFWFLSA-N 1 2 361.511 2.350 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCSC[C@H]2CCO)c1 ZINC000470364471 560979703 /nfs/dbraw/zinc/97/97/03/560979703.db2.gz LQYHTNYSVGJHFD-QGZVFWFLSA-N 1 2 361.511 2.350 20 30 FEEDLO Cc1ccc(-c2n[nH]cc2C[NH+]2CCN(c3c(C#N)c(C)nn3C)CC2)o1 ZINC000471802618 561012163 /nfs/dbraw/zinc/01/21/63/561012163.db2.gz DCCOAASHQAIWPK-UHFFFAOYSA-N 1 2 365.441 2.214 20 30 FEEDLO Cc1nn(C)c(N2CC[NH+](Cc3ccc(C)c([N+](=O)[O-])c3)CC2)c1C#N ZINC000471818393 561012448 /nfs/dbraw/zinc/01/24/48/561012448.db2.gz ACFIVIDYRZROJL-UHFFFAOYSA-N 1 2 354.414 2.139 20 30 FEEDLO CCN(CC)c1ncc(C[NH+]2CCN(c3c(C#N)c(C)nn3C)CC2)s1 ZINC000471819356 561012500 /nfs/dbraw/zinc/01/25/00/561012500.db2.gz CXZMGIYUIWLJPB-UHFFFAOYSA-N 1 2 373.530 2.225 20 30 FEEDLO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)NCCNc3cccc[nH+]3)C2)n1 ZINC000472296319 561023531 /nfs/dbraw/zinc/02/35/31/561023531.db2.gz JCDCXICZMPCLRI-KRWDZBQOSA-N 1 2 364.453 2.101 20 30 FEEDLO CCOC(=O)c1coc(C[N@@H+]2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)c1 ZINC000474396413 561073201 /nfs/dbraw/zinc/07/32/01/561073201.db2.gz XMQPHNABTUOVAO-XOBRGWDASA-N 1 2 365.389 2.302 20 30 FEEDLO CCOC(=O)c1coc(C[N@H+]2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)c1 ZINC000474396413 561073202 /nfs/dbraw/zinc/07/32/02/561073202.db2.gz XMQPHNABTUOVAO-XOBRGWDASA-N 1 2 365.389 2.302 20 30 FEEDLO Cc1c(NCc2c[nH+]c3ccc(C#N)cn23)cccc1N1C(=O)CNC1=O ZINC000475561530 561099952 /nfs/dbraw/zinc/09/99/52/561099952.db2.gz BLDNWRMCUMVTOQ-UHFFFAOYSA-N 1 2 360.377 2.183 20 30 FEEDLO CN(C)c1ccc(CNS(=O)(=O)c2cc(C#N)ccc2Cl)c[nH+]1 ZINC000475565926 561099968 /nfs/dbraw/zinc/09/99/68/561099968.db2.gz RHNRCQSEKVFLOD-UHFFFAOYSA-N 1 2 350.831 2.151 20 30 FEEDLO Cn1ncc(C(=O)Nc2nc3ccccc3n2CCCn2cc[nH+]c2)c1C#N ZINC000475658167 561101693 /nfs/dbraw/zinc/10/16/93/561101693.db2.gz VFKUTDLLKYSDAF-UHFFFAOYSA-N 1 2 374.408 2.181 20 30 FEEDLO Cn1ncc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1C#N ZINC000476458265 561119930 /nfs/dbraw/zinc/11/99/30/561119930.db2.gz LSFXKKJOHFXVPU-GDBMZVCRSA-N 1 2 361.808 2.259 20 30 FEEDLO Cn1ncc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1C#N ZINC000476458265 561119931 /nfs/dbraw/zinc/11/99/31/561119931.db2.gz LSFXKKJOHFXVPU-GDBMZVCRSA-N 1 2 361.808 2.259 20 30 FEEDLO Cc1cccc(CN2CC[NH+](C[C@H](O)COc3ccccc3C#N)CC2)c1 ZINC000528341077 562323766 /nfs/dbraw/zinc/32/37/66/562323766.db2.gz UVCNGVOTZMVNFQ-NRFANRHFSA-N 1 2 365.477 2.424 20 30 FEEDLO C[C@@H](c1nccs1)N1CC[NH+](C[C@H](O)COc2ccccc2C#N)CC1 ZINC000528453104 562330187 /nfs/dbraw/zinc/33/01/87/562330187.db2.gz XMLBBQOVBADCQB-RDJZCZTQSA-N 1 2 372.494 2.133 20 30 FEEDLO COCc1ccc(NC(=O)N[C@H]2CCO[C@H](c3c[nH+]cn3C)C2)cc1C#N ZINC000529210815 562365066 /nfs/dbraw/zinc/36/50/66/562365066.db2.gz IIEXDWNAQASCGV-WMZOPIPTSA-N 1 2 369.425 2.480 20 30 FEEDLO Cn1c[nH+]cc1CCC(=O)N1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000530310531 562406346 /nfs/dbraw/zinc/40/63/46/562406346.db2.gz RCSRPVVEQFGDOV-GOSISDBHSA-N 1 2 371.872 2.415 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)C1=O ZINC000531700485 562454313 /nfs/dbraw/zinc/45/43/13/562454313.db2.gz GXUIRXRBLBLYLO-UWAICQJNSA-N 1 2 359.514 2.179 20 30 FEEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)C1=O ZINC000531700485 562454314 /nfs/dbraw/zinc/45/43/14/562454314.db2.gz GXUIRXRBLBLYLO-UWAICQJNSA-N 1 2 359.514 2.179 20 30 FEEDLO COc1cc2c(cc1OC)C[N@H+](CC(=O)N(C[C@@H](C)C#N)C1CC1)CC2 ZINC000533140898 562499718 /nfs/dbraw/zinc/49/97/18/562499718.db2.gz HENRMNPCAUINHR-AWEZNQCLSA-N 1 2 357.454 2.213 20 30 FEEDLO COc1cc2c(cc1OC)C[N@@H+](CC(=O)N(C[C@@H](C)C#N)C1CC1)CC2 ZINC000533140898 562499719 /nfs/dbraw/zinc/49/97/19/562499719.db2.gz HENRMNPCAUINHR-AWEZNQCLSA-N 1 2 357.454 2.213 20 30 FEEDLO C[C@H]1CN(c2ccc(CNC(=O)N3CCC(CC#N)CC3)c[nH+]2)CCO1 ZINC000540991962 562599708 /nfs/dbraw/zinc/59/97/08/562599708.db2.gz SUXPXWDTCYEGKR-HNNXBMFYSA-N 1 2 357.458 2.142 20 30 FEEDLO Cc1noc([C@@H](C)[NH2+]CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)n1 ZINC000541651386 562617275 /nfs/dbraw/zinc/61/72/75/562617275.db2.gz PITUBWALBZTUOV-LLVKDONJSA-N 1 2 366.343 2.215 20 30 FEEDLO Cc1cc(C#N)cnc1C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000549768525 562639342 /nfs/dbraw/zinc/63/93/42/562639342.db2.gz WFZPMLPTFZCLQK-GJZGRUSLSA-N 1 2 365.437 2.200 20 30 FEEDLO COc1cc(CN(CCC#N)CC[NH+]2CCOCC2)c(Cl)cc1O ZINC000602425842 567979100 /nfs/dbraw/zinc/97/91/00/567979100.db2.gz WNGDBIRBLYYONK-UHFFFAOYSA-N 1 2 353.850 2.102 20 30 FEEDLO CC(C)OC(=O)Cc1nc(C[N@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)cs1 ZINC000602856424 568002412 /nfs/dbraw/zinc/00/24/12/568002412.db2.gz LLBOMWXLUCZPMC-OKILXGFUSA-N 1 2 350.488 2.055 20 30 FEEDLO CC(C)OC(=O)Cc1nc(C[N@@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)cs1 ZINC000602856424 568002413 /nfs/dbraw/zinc/00/24/13/568002413.db2.gz LLBOMWXLUCZPMC-OKILXGFUSA-N 1 2 350.488 2.055 20 30 FEEDLO Cc1ccc(SCCNC(=O)C[NH+]2C[C@H](C)N(CC#N)[C@@H](C)C2)cc1 ZINC000602857547 568002711 /nfs/dbraw/zinc/00/27/11/568002711.db2.gz SKWHXXQFMGKPBL-IRXDYDNUSA-N 1 2 360.527 2.122 20 30 FEEDLO C[C@H]1C[NH+](CC(=O)Nc2ccc(OC(F)(F)F)cc2)C[C@H](C)N1CC#N ZINC000602867366 568008609 /nfs/dbraw/zinc/00/86/09/568008609.db2.gz YCUFYUSJMBSEDK-STQMWFEESA-N 1 2 370.375 2.442 20 30 FEEDLO CN(CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)[C@H]1CCC[C@H]1C#N ZINC000602976196 568036014 /nfs/dbraw/zinc/03/60/14/568036014.db2.gz MMUAGNQESPQHJI-HKUYNNGSSA-N 1 2 356.470 2.081 20 30 FEEDLO C[N@H+](CC(=O)NCc1ccccc1Cn1cccn1)[C@@H]1CCC[C@H]1C#N ZINC000602980383 568036981 /nfs/dbraw/zinc/03/69/81/568036981.db2.gz PMKHXNZWQAFFMW-QFBILLFUSA-N 1 2 351.454 2.172 20 30 FEEDLO C[N@@H+](CC(=O)NCc1ccccc1Cn1cccn1)[C@@H]1CCC[C@H]1C#N ZINC000602980383 568036982 /nfs/dbraw/zinc/03/69/82/568036982.db2.gz PMKHXNZWQAFFMW-QFBILLFUSA-N 1 2 351.454 2.172 20 30 FEEDLO COc1ccc(C(=O)N2CC[NH+](CC3(CC#N)CC3)CC2)c(OC)c1OC ZINC000602782222 568039209 /nfs/dbraw/zinc/03/92/09/568039209.db2.gz MHEIPDKMTJOSQK-UHFFFAOYSA-N 1 2 373.453 2.164 20 30 FEEDLO COc1cccc(Cl)c1NC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000603158593 568069014 /nfs/dbraw/zinc/06/90/14/568069014.db2.gz BGQBCEUSLANELQ-UHFFFAOYSA-N 1 2 366.849 2.428 20 30 FEEDLO Cc1cc2[nH+]cn(Cc3cn([C@H](C)C(=O)N(C)CCC#N)nn3)c2cc1C ZINC000603187848 568071665 /nfs/dbraw/zinc/07/16/65/568071665.db2.gz FQSDPAOKGHJILG-OAHLLOKOSA-N 1 2 365.441 2.226 20 30 FEEDLO C[N@@H+]1CCc2c(cccc2S(=O)(=O)N(CCC#N)Cc2cccnc2)C1 ZINC000603269641 568081012 /nfs/dbraw/zinc/08/10/12/568081012.db2.gz WSQIGABYMJBAPL-UHFFFAOYSA-N 1 2 370.478 2.174 20 30 FEEDLO C[N@H+]1CCc2c(cccc2S(=O)(=O)N(CCC#N)Cc2cccnc2)C1 ZINC000603269641 568081013 /nfs/dbraw/zinc/08/10/13/568081013.db2.gz WSQIGABYMJBAPL-UHFFFAOYSA-N 1 2 370.478 2.174 20 30 FEEDLO CC(C)(C#N)c1ccc(NC(=O)C(=O)NCc2cn3ccccc3[nH+]2)cc1 ZINC000603700987 568139641 /nfs/dbraw/zinc/13/96/41/568139641.db2.gz QVMXCGZEAKJIQZ-UHFFFAOYSA-N 1 2 361.405 2.390 20 30 FEEDLO CC(C)[C@@H](C#N)N1CC[NH+](CC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 ZINC000609485272 568343712 /nfs/dbraw/zinc/34/37/12/568343712.db2.gz MFKGYZVOJKMPIH-VJJCQHNBSA-N 1 2 358.530 2.237 20 30 FEEDLO CC(C)[C@@H](C#N)N1CC[NH+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)CC1 ZINC000609484671 568344887 /nfs/dbraw/zinc/34/48/87/568344887.db2.gz FGKMYDQDNLXMSS-UYAOXDASSA-N 1 2 367.497 2.488 20 30 FEEDLO CC(C)Oc1cccc(CNC(=O)C[NH+]2CCN([C@H](C#N)C(C)C)CC2)c1 ZINC000609485881 568346178 /nfs/dbraw/zinc/34/61/78/568346178.db2.gz ZGMATPFCHNAFLX-HXUWFJFHSA-N 1 2 372.513 2.256 20 30 FEEDLO COc1ccc(C#N)cc1C[N@@H+]1CCN(C)[C@H](c2nc(C3CC3)no2)C1 ZINC000582860695 570766239 /nfs/dbraw/zinc/76/62/39/570766239.db2.gz NXEOSMZCMIJFBK-INIZCTEOSA-N 1 2 353.426 2.316 20 30 FEEDLO COc1ccc(C#N)cc1C[N@H+]1CCN(C)[C@H](c2nc(C3CC3)no2)C1 ZINC000582860695 570766241 /nfs/dbraw/zinc/76/62/41/570766241.db2.gz NXEOSMZCMIJFBK-INIZCTEOSA-N 1 2 353.426 2.316 20 30 FEEDLO N#Cc1ccccc1N1CC[NH+](Cc2cc(-c3nn[nH]n3)ccc2F)CC1 ZINC000737728013 598254057 /nfs/dbraw/zinc/25/40/57/598254057.db2.gz WMAUHRIUIWWUII-UHFFFAOYSA-N 1 2 363.400 2.200 20 30 FEEDLO C#CCOc1ccccc1CNc1c(-c2nn[nH]n2)c[nH+]c2ccccc21 ZINC000819710022 599558790 /nfs/dbraw/zinc/55/87/90/599558790.db2.gz VZEXFWFYIGKVJS-UHFFFAOYSA-N 1 2 356.389 2.461 20 30 FEEDLO C#CCCCCCC(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823840709 609140331 /nfs/dbraw/zinc/14/03/31/609140331.db2.gz BZLIEHWZQNRXFK-UHFFFAOYSA-N 1 2 366.469 2.095 20 30 FEEDLO C[C@@H]1C[N@H+](Cc2cn(CCC#N)nc2-c2ccncc2)CC[S@](=O)C1 ZINC000562427387 674755032 /nfs/dbraw/zinc/75/50/32/674755032.db2.gz BJQCEOAEJBIXEZ-BZQUYTCOSA-N 1 2 357.483 2.059 20 30 FEEDLO C[C@@H]1C[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)CC[S@](=O)C1 ZINC000562427387 674755034 /nfs/dbraw/zinc/75/50/34/674755034.db2.gz BJQCEOAEJBIXEZ-BZQUYTCOSA-N 1 2 357.483 2.059 20 30 FEEDLO CC[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CCN1c1nc(Cl)c(C#N)s1 ZINC001048732103 675013798 /nfs/dbraw/zinc/01/37/98/675013798.db2.gz XZUPMMUIYWNKOK-WDEREUQCSA-N 1 2 364.862 2.038 20 30 FEEDLO CC[C@@H](C(=O)NCc1cc(F)c(C#N)c(F)c1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000565201593 675102252 /nfs/dbraw/zinc/10/22/52/675102252.db2.gz NRMRJBHTHCPXKE-GUYCJALGSA-N 1 2 351.397 2.342 20 30 FEEDLO CC[C@@H](C(=O)NCc1cc(F)c(C#N)c(F)c1)[N@H+]1CCO[C@@H](CC)C1 ZINC000565201593 675102254 /nfs/dbraw/zinc/10/22/54/675102254.db2.gz NRMRJBHTHCPXKE-GUYCJALGSA-N 1 2 351.397 2.342 20 30 FEEDLO N#CCCNC(=O)C[N@H+]1CCC[C@H]1Cc1ccccc1Br ZINC000817276784 675116544 /nfs/dbraw/zinc/11/65/44/675116544.db2.gz OYBCDIZAYKRNIA-AWEZNQCLSA-N 1 2 350.260 2.486 20 30 FEEDLO N#CCCNC(=O)C[N@@H+]1CCC[C@H]1Cc1ccccc1Br ZINC000817276784 675116545 /nfs/dbraw/zinc/11/65/45/675116545.db2.gz OYBCDIZAYKRNIA-AWEZNQCLSA-N 1 2 350.260 2.486 20 30 FEEDLO C#CC[NH+]1CCN(Cn2nc(-c3cccc(Cl)c3)n(C)c2=S)CC1 ZINC000151746744 672168585 /nfs/dbraw/zinc/16/85/85/672168585.db2.gz WYKSOSHRCVYTMM-UHFFFAOYSA-N 1 2 361.902 2.480 20 30 FEEDLO CCOC(=O)c1sc2nc(C[NH+](C)C)nc(N3CC(C#N)C3)c2c1C ZINC000590085025 672558877 /nfs/dbraw/zinc/55/88/77/672558877.db2.gz NAWYTXQMIPXWJC-UHFFFAOYSA-N 1 2 359.455 2.198 20 30 FEEDLO CC(C)[C@@]1(CO)CCC[N@H+](CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000590203735 672564354 /nfs/dbraw/zinc/56/43/54/672564354.db2.gz QSHIXQIYTQYYNI-SFHVURJKSA-N 1 2 350.484 2.062 20 30 FEEDLO CC(C)[C@@]1(CO)CCC[N@@H+](CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000590203735 672564356 /nfs/dbraw/zinc/56/43/56/672564356.db2.gz QSHIXQIYTQYYNI-SFHVURJKSA-N 1 2 350.484 2.062 20 30 FEEDLO Cc1nnc([C@@H]2CC[N@@H+]([C@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)C2)[nH]1 ZINC000591053793 672645018 /nfs/dbraw/zinc/64/50/18/672645018.db2.gz OZZGAVSYHWGPTH-ZWNOBZJWSA-N 1 2 358.833 2.455 20 30 FEEDLO Cc1nnc([C@@H]2CC[N@H+]([C@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)C2)[nH]1 ZINC000591053793 672645020 /nfs/dbraw/zinc/64/50/20/672645020.db2.gz OZZGAVSYHWGPTH-ZWNOBZJWSA-N 1 2 358.833 2.455 20 30 FEEDLO CC1(C)COCC[N@@H+]1CCNC(=O)C#Cc1ccc(C(F)(F)F)cc1 ZINC000191204952 672660829 /nfs/dbraw/zinc/66/08/29/672660829.db2.gz OJXBMLWPQAFBGE-UHFFFAOYSA-N 1 2 354.372 2.284 20 30 FEEDLO CC1(C)COCC[N@H+]1CCNC(=O)C#Cc1ccc(C(F)(F)F)cc1 ZINC000191204952 672660831 /nfs/dbraw/zinc/66/08/31/672660831.db2.gz OJXBMLWPQAFBGE-UHFFFAOYSA-N 1 2 354.372 2.284 20 30 FEEDLO N#CC[C@]1(O)CC[N@H+](Cc2cc3c(cc2Br)OCCCO3)C1 ZINC000592152527 672764751 /nfs/dbraw/zinc/76/47/51/672764751.db2.gz YRTZBCQJTYNPGF-INIZCTEOSA-N 1 2 367.243 2.461 20 30 FEEDLO N#CC[C@]1(O)CC[N@@H+](Cc2cc3c(cc2Br)OCCCO3)C1 ZINC000592152527 672764755 /nfs/dbraw/zinc/76/47/55/672764755.db2.gz YRTZBCQJTYNPGF-INIZCTEOSA-N 1 2 367.243 2.461 20 30 FEEDLO N#CC[C@@]1(O)CC[N@@H+]([C@H]2CCN(c3ccccc3C(F)(F)F)C2=O)C1 ZINC000592151789 672764866 /nfs/dbraw/zinc/76/48/66/672764866.db2.gz PVDOKAODFKDSGN-GOEBONIOSA-N 1 2 353.344 2.161 20 30 FEEDLO N#CC[C@@]1(O)CC[N@H+]([C@H]2CCN(c3ccccc3C(F)(F)F)C2=O)C1 ZINC000592151789 672764869 /nfs/dbraw/zinc/76/48/69/672764869.db2.gz PVDOKAODFKDSGN-GOEBONIOSA-N 1 2 353.344 2.161 20 30 FEEDLO C[N@@H+]1CCO[C@H]([C@@H](NC(=O)N2CCCOCC2)c2ccc(Cl)cc2)C1 ZINC000329042759 673071582 /nfs/dbraw/zinc/07/15/82/673071582.db2.gz OSQBVSQVTYNMOT-IRXDYDNUSA-N 1 2 367.877 2.348 20 30 FEEDLO C[N@H+]1CCO[C@H]([C@@H](NC(=O)N2CCCOCC2)c2ccc(Cl)cc2)C1 ZINC000329042759 673071586 /nfs/dbraw/zinc/07/15/86/673071586.db2.gz OSQBVSQVTYNMOT-IRXDYDNUSA-N 1 2 367.877 2.348 20 30 FEEDLO N#Cc1ccc(-n2cc(CC[NH+]3CCOCC3)nn2)cc1C(F)(F)F ZINC000594657041 673109637 /nfs/dbraw/zinc/10/96/37/673109637.db2.gz MWCRMTXVECBDHN-UHFFFAOYSA-N 1 2 351.332 2.032 20 30 FEEDLO Cc1cc(=O)[nH]c(C(C)(C)[NH2+]CC(=O)Nc2ccc(C#N)c(Cl)c2)n1 ZINC000595525374 673261472 /nfs/dbraw/zinc/26/14/72/673261472.db2.gz DVYFWCYUKUGARL-UHFFFAOYSA-N 1 2 359.817 2.479 20 30 FEEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@H](C(=O)OC)C[C@H](C(F)(F)F)C1 ZINC000595628660 673275942 /nfs/dbraw/zinc/27/59/42/673275942.db2.gz QZTJJRHSLOBOCZ-OLZOCXBDSA-N 1 2 350.381 2.084 20 30 FEEDLO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@H](C(=O)OC)C[C@H](C(F)(F)F)C1 ZINC000595628660 673275945 /nfs/dbraw/zinc/27/59/45/673275945.db2.gz QZTJJRHSLOBOCZ-OLZOCXBDSA-N 1 2 350.381 2.084 20 30 FEEDLO N#Cc1sccc1N1CC[NH+](C[C@@H](O)COc2ccccc2F)CC1 ZINC000595633082 673276572 /nfs/dbraw/zinc/27/65/72/673276572.db2.gz LHTDDJCBAHHIAV-CQSZACIVSA-N 1 2 361.442 2.321 20 30 FEEDLO CN(CCC#N)C[C@@H](O)C[N@@H+]1CC[C@@H]1c1ccc(Br)cc1 ZINC000596037314 673351488 /nfs/dbraw/zinc/35/14/88/673351488.db2.gz HJSSNMDHWHZHQI-HZPDHXFCSA-N 1 2 352.276 2.402 20 30 FEEDLO CN(CCC#N)C[C@@H](O)C[N@H+]1CC[C@@H]1c1ccc(Br)cc1 ZINC000596037314 673351492 /nfs/dbraw/zinc/35/14/92/673351492.db2.gz HJSSNMDHWHZHQI-HZPDHXFCSA-N 1 2 352.276 2.402 20 30 FEEDLO CCCCNc1cc(N2CCN(c3ccsc3C#N)CC2)nc(N)[nH+]1 ZINC000596353556 673379223 /nfs/dbraw/zinc/37/92/23/673379223.db2.gz YBZXYPXWZDKLON-UHFFFAOYSA-N 1 2 357.487 2.531 20 30 FEEDLO CCCCNc1cc(N2CCN(c3ccsc3C#N)CC2)[nH+]c(N)n1 ZINC000596353556 673379226 /nfs/dbraw/zinc/37/92/26/673379226.db2.gz YBZXYPXWZDKLON-UHFFFAOYSA-N 1 2 357.487 2.531 20 30 FEEDLO CCC1(CC)C[N@H+](C[C@@H](O)COc2ccc(CC#N)cc2)CC[S@@]1=O ZINC000613585394 676135681 /nfs/dbraw/zinc/13/56/81/676135681.db2.gz UIXGZWQZBXLNME-NSYGIPOTSA-N 1 2 364.511 2.115 20 30 FEEDLO CCC1(CC)C[N@@H+](C[C@@H](O)COc2ccc(CC#N)cc2)CC[S@@]1=O ZINC000613585394 676135684 /nfs/dbraw/zinc/13/56/84/676135684.db2.gz UIXGZWQZBXLNME-NSYGIPOTSA-N 1 2 364.511 2.115 20 30 FEEDLO CCOC(=O)c1sc([C@H](C)[NH2+]CC(=O)N(CC)C[C@@H](C)C#N)nc1C ZINC000542610152 673592578 /nfs/dbraw/zinc/59/25/78/673592578.db2.gz CENWRRHWYNJEOY-AAEUAGOBSA-N 1 2 366.487 2.287 20 30 FEEDLO C[N@H+](CCCOc1ccc(S(C)(=O)=O)cc1)Cc1cccc(C#N)n1 ZINC000602453264 673906205 /nfs/dbraw/zinc/90/62/05/673906205.db2.gz HYJKUHUZPYUTJD-UHFFFAOYSA-N 1 2 359.451 2.258 20 30 FEEDLO C[N@@H+](CCCOc1ccc(S(C)(=O)=O)cc1)Cc1cccc(C#N)n1 ZINC000602453264 673906209 /nfs/dbraw/zinc/90/62/09/673906209.db2.gz HYJKUHUZPYUTJD-UHFFFAOYSA-N 1 2 359.451 2.258 20 30 FEEDLO N#Cc1cc(N2CC[NH+](Cc3ccncc3)CC2)ncc1Br ZINC000603269651 673920223 /nfs/dbraw/zinc/92/02/23/673920223.db2.gz XETCXSDHDMMSPI-UHFFFAOYSA-N 1 2 358.243 2.433 20 30 FEEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1ccc(F)cc1OC1CCOCC1 ZINC000819480568 675293537 /nfs/dbraw/zinc/29/35/37/675293537.db2.gz CRSLBPNVIOLXCY-HNNXBMFYSA-N 1 2 351.422 2.002 20 30 FEEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1ccc(F)cc1OC1CCOCC1 ZINC000819480568 675293538 /nfs/dbraw/zinc/29/35/38/675293538.db2.gz CRSLBPNVIOLXCY-HNNXBMFYSA-N 1 2 351.422 2.002 20 30 FEEDLO CCNS(=O)(=O)[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000567529995 675300285 /nfs/dbraw/zinc/30/02/85/675300285.db2.gz SXYJVQNZFLUIDH-CYBMUJFWSA-N 1 2 361.389 2.091 20 30 FEEDLO CCNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000567529995 675300287 /nfs/dbraw/zinc/30/02/87/675300287.db2.gz SXYJVQNZFLUIDH-CYBMUJFWSA-N 1 2 361.389 2.091 20 30 FEEDLO C[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)C[C@](C)(O)c1ccccc1 ZINC000823590233 675561771 /nfs/dbraw/zinc/56/17/71/675561771.db2.gz ARFUJJXFGCOOMM-IBGZPJMESA-N 1 2 358.463 2.171 20 30 FEEDLO C[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)C[C@](C)(O)c1ccccc1 ZINC000823590233 675561774 /nfs/dbraw/zinc/56/17/74/675561774.db2.gz ARFUJJXFGCOOMM-IBGZPJMESA-N 1 2 358.463 2.171 20 30 FEEDLO CC#CC[NH2+]Cc1cn(Cc2nc3ccc(Br)cc3o2)nn1 ZINC000641130791 677195222 /nfs/dbraw/zinc/19/52/22/677195222.db2.gz PIFODOXFGPMIJO-UHFFFAOYSA-N 1 2 360.215 2.343 20 30 FEEDLO C=C(C)[C@@H](CO)[NH+]1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000649279854 677328607 /nfs/dbraw/zinc/32/86/07/677328607.db2.gz RJMRVFAFVJZWPC-OAHLLOKOSA-N 1 2 353.260 2.144 20 30 FEEDLO C=C(C)C[C@H](NC(C)=O)C(=O)N1CC[NH+](Cc2ccc(CC)s2)CC1 ZINC000668974853 679212381 /nfs/dbraw/zinc/21/23/81/679212381.db2.gz MBQSITAFFMMCIW-SFHVURJKSA-N 1 2 363.527 2.426 20 30 FEEDLO CN(C)S(=O)(=O)c1ccc(CO[NH+]=C(N)c2ccc(Cl)cc2)cc1 ZINC000765527247 680845385 /nfs/dbraw/zinc/84/53/85/680845385.db2.gz AFSZVMBGFQLQFT-UHFFFAOYSA-N 1 2 367.858 2.427 20 30 FEEDLO N#Cc1cccc([C@@H](NC(=O)/C=C/C[NH+]2CCOCC2)C(F)(F)F)c1 ZINC000831095589 679921702 /nfs/dbraw/zinc/92/17/02/679921702.db2.gz INJCKPQIBXNIRL-OUGHUQCRSA-N 1 2 353.344 2.166 20 30 FEEDLO C=CC(C)(C)C(=O)N1CC[NH+]([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000832111590 680095688 /nfs/dbraw/zinc/09/56/88/680095688.db2.gz NMJOMECLTJYNHI-HNNXBMFYSA-N 1 2 351.491 2.352 20 30 FEEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2CCN(C(=O)Cc3[nH]c[nH+]c3C)[C@@H]2C1 ZINC001022314571 680208832 /nfs/dbraw/zinc/20/88/32/680208832.db2.gz LMVHWKZTNIUYHZ-DZGCQCFKSA-N 1 2 364.877 2.099 20 30 FEEDLO C=C(Br)C[N@H+]1CC=C(CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1 ZINC001001185559 680453750 /nfs/dbraw/zinc/45/37/50/680453750.db2.gz LNBRITZZCRFKCO-KFWWJZLASA-N 1 2 355.276 2.211 20 30 FEEDLO C=C(Br)C[N@@H+]1CC=C(CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1 ZINC001001185559 680453752 /nfs/dbraw/zinc/45/37/52/680453752.db2.gz LNBRITZZCRFKCO-KFWWJZLASA-N 1 2 355.276 2.211 20 30 FEEDLO CC[C@@H]1C[C@H]1C(=O)N(C)[C@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@@H]1O ZINC001047533589 680665362 /nfs/dbraw/zinc/66/53/62/680665362.db2.gz YCZMYUXNBCWVFF-YSHGAJCASA-N 1 2 360.885 2.241 20 30 FEEDLO CC[C@@H]1C[C@H]1C(=O)N(C)[C@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@@H]1O ZINC001047533589 680665367 /nfs/dbraw/zinc/66/53/67/680665367.db2.gz YCZMYUXNBCWVFF-YSHGAJCASA-N 1 2 360.885 2.241 20 30 FEEDLO C=C[C@@H](OC(=O)C1CC[NH+](Cc2csc(C)n2)CC1)C(=O)OCC ZINC000842979015 680979861 /nfs/dbraw/zinc/97/98/61/680979861.db2.gz IVGOZSLMFVKYHV-OAHLLOKOSA-N 1 2 352.456 2.324 20 30 FEEDLO C=CC(C)(C)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](Nc2nc(C)ns2)C1 ZINC001052746026 681085662 /nfs/dbraw/zinc/08/56/62/681085662.db2.gz YZWPGMCTPOBQIJ-CHWSQXEVSA-N 1 2 360.487 2.199 20 30 FEEDLO Cc1nsc(NC[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@H]2C)c1C#N ZINC001054676807 681114723 /nfs/dbraw/zinc/11/47/23/681114723.db2.gz XECFFNLGUCBUKQ-DGCLKSJQSA-N 1 2 358.471 2.186 20 30 FEEDLO Cc1nsc(NC[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)C[C@H]2C)c1C#N ZINC001054676807 681114725 /nfs/dbraw/zinc/11/47/25/681114725.db2.gz XECFFNLGUCBUKQ-DGCLKSJQSA-N 1 2 358.471 2.186 20 30 FEEDLO C[C@@H](C[NH+]1CCOCC1)OC(=O)Cc1ccc(Br)cc1C#N ZINC000845329908 681118834 /nfs/dbraw/zinc/11/88/34/681118834.db2.gz IDVDRMPETXUMKR-LBPRGKRZSA-N 1 2 367.243 2.127 20 30 FEEDLO CCCCCCCCCS(=O)(=O)N1CC[NH2+]C[C@H]1c1nccn1C ZINC000846227731 681204869 /nfs/dbraw/zinc/20/48/69/681204869.db2.gz DKZTVQDAHYTLDE-INIZCTEOSA-N 1 2 356.536 2.447 20 30 FEEDLO CC[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932944449 681332418 /nfs/dbraw/zinc/33/24/18/681332418.db2.gz VHWBSWNEGPVRSS-XVMARJQXSA-N 1 2 354.241 2.353 20 30 FEEDLO CC[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932944449 681332419 /nfs/dbraw/zinc/33/24/19/681332419.db2.gz VHWBSWNEGPVRSS-XVMARJQXSA-N 1 2 354.241 2.353 20 30 FEEDLO C=CCNC(=O)NC(=O)C[NH+]1CCC(C(=O)c2ccccc2Cl)CC1 ZINC000934424470 681571678 /nfs/dbraw/zinc/57/16/78/681571678.db2.gz DUTATVPQGRIXNJ-UHFFFAOYSA-N 1 2 363.845 2.247 20 30 FEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC2(CC1)C[N@H+](CCF)CCO2 ZINC000949489986 681643939 /nfs/dbraw/zinc/64/39/39/681643939.db2.gz WALOVERXLPPVGY-IRXDYDNUSA-N 1 2 354.466 2.021 20 30 FEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC2(CC1)C[N@@H+](CCF)CCO2 ZINC000949489986 681643941 /nfs/dbraw/zinc/64/39/41/681643941.db2.gz WALOVERXLPPVGY-IRXDYDNUSA-N 1 2 354.466 2.021 20 30 FEEDLO C[C@H]1CCN(S(=O)(=O)Cc2csc(C#N)c2)C[C@@H]1n1cc[nH+]c1 ZINC000914248419 685500766 /nfs/dbraw/zinc/50/07/66/685500766.db2.gz QHFYJSDPFPZZPT-WFASDCNBSA-N 1 2 350.469 2.229 20 30 FEEDLO CS(=O)(=O)c1ccc(N[NH+]=Cc2ccc(N3CCOCC3)s2)cc1 ZINC000914835755 685510033 /nfs/dbraw/zinc/51/00/33/685510033.db2.gz PKBRBVTUAQBCIO-UHFFFAOYSA-N 1 2 365.480 2.434 20 30 FEEDLO C=C(Br)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1c1ccco1 ZINC000961852948 682102530 /nfs/dbraw/zinc/10/25/30/682102530.db2.gz ADSUOIUGVCVQRD-NTASLKFISA-N 1 2 351.244 2.338 20 30 FEEDLO C=C(Br)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1c1ccco1 ZINC000961852948 682102534 /nfs/dbraw/zinc/10/25/34/682102534.db2.gz ADSUOIUGVCVQRD-NTASLKFISA-N 1 2 351.244 2.338 20 30 FEEDLO C#C[C@H](NC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(Cl)cc1F ZINC000852322663 682260400 /nfs/dbraw/zinc/26/04/00/682260400.db2.gz PCPMTOZKCHKMQG-PBHICJAKSA-N 1 2 365.836 2.270 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCC3SCCS3)CC2)cc1 ZINC000852663635 682315766 /nfs/dbraw/zinc/31/57/66/682315766.db2.gz PZPDESKZTFIWPK-UHFFFAOYSA-N 1 2 362.524 2.192 20 30 FEEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)[C@]23CCC[C@H]2OCC3)C1 ZINC000971925301 682380914 /nfs/dbraw/zinc/38/09/14/682380914.db2.gz UXYPZEPXFWFYPR-LZWOXQAQSA-N 1 2 357.292 2.387 20 30 FEEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)[C@]23CCC[C@H]2OCC3)C1 ZINC000971925301 682380920 /nfs/dbraw/zinc/38/09/20/682380920.db2.gz UXYPZEPXFWFYPR-LZWOXQAQSA-N 1 2 357.292 2.387 20 30 FEEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCO[C@H]2C2CC2)C1 ZINC000971980343 682385253 /nfs/dbraw/zinc/38/52/53/682385253.db2.gz YSXCPLREPZDRBS-KFWWJZLASA-N 1 2 357.292 2.243 20 30 FEEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCO[C@H]2C2CC2)C1 ZINC000971980343 682385259 /nfs/dbraw/zinc/38/52/59/682385259.db2.gz YSXCPLREPZDRBS-KFWWJZLASA-N 1 2 357.292 2.243 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2cnc(Cl)s2)C1 ZINC000972374303 682410808 /nfs/dbraw/zinc/41/08/08/682410808.db2.gz QUDBJJVXEIPMFY-YUTCNCBUSA-N 1 2 355.891 2.420 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2cnc(Cl)s2)C1 ZINC000972374303 682410811 /nfs/dbraw/zinc/41/08/11/682410811.db2.gz QUDBJJVXEIPMFY-YUTCNCBUSA-N 1 2 355.891 2.420 20 30 FEEDLO CC[C@H](NC(=O)[C@H](C#N)C(=O)C[N@H+](C)[C@H]1CCSC1)c1ccccc1 ZINC000787032004 682431382 /nfs/dbraw/zinc/43/13/82/682431382.db2.gz OERHUFBXGAUPQZ-BBWFWOEESA-N 1 2 359.495 2.400 20 30 FEEDLO CC[C@H](NC(=O)[C@H](C#N)C(=O)C[N@@H+](C)[C@H]1CCSC1)c1ccccc1 ZINC000787032004 682431383 /nfs/dbraw/zinc/43/13/83/682431383.db2.gz OERHUFBXGAUPQZ-BBWFWOEESA-N 1 2 359.495 2.400 20 30 FEEDLO C#CCC[N@@H+](CCOC)CN1C(=O)N[C@@](C)(c2ccc(Cl)s2)C1=O ZINC000853620934 682446513 /nfs/dbraw/zinc/44/65/13/682446513.db2.gz KFPXOQPXVIDJRT-INIZCTEOSA-N 1 2 369.874 2.098 20 30 FEEDLO C#CCC[N@H+](CCOC)CN1C(=O)N[C@@](C)(c2ccc(Cl)s2)C1=O ZINC000853620934 682446516 /nfs/dbraw/zinc/44/65/16/682446516.db2.gz KFPXOQPXVIDJRT-INIZCTEOSA-N 1 2 369.874 2.098 20 30 FEEDLO C#CCCCOc1ccc[nH+]c1NC[C@@H]1CCCCN1S(C)(=O)=O ZINC000853620572 682446528 /nfs/dbraw/zinc/44/65/28/682446528.db2.gz VTQQXLRIFHTYPB-HNNXBMFYSA-N 1 2 351.472 2.100 20 30 FEEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)S(=O)(=O)CC(C)(C)C#N ZINC000790030190 682649450 /nfs/dbraw/zinc/64/94/50/682649450.db2.gz XSROVIFOGYZKOS-UHFFFAOYSA-N 1 2 364.515 2.499 20 30 FEEDLO CC[N@H+](CCNC(=O)OC(C)(C)C)CC(=O)Nc1sccc1C#N ZINC000859530106 683123855 /nfs/dbraw/zinc/12/38/55/683123855.db2.gz HHFMFEFBQREKHS-UHFFFAOYSA-N 1 2 352.460 2.405 20 30 FEEDLO CC[N@@H+](CCNC(=O)OC(C)(C)C)CC(=O)Nc1sccc1C#N ZINC000859530106 683123861 /nfs/dbraw/zinc/12/38/61/683123861.db2.gz HHFMFEFBQREKHS-UHFFFAOYSA-N 1 2 352.460 2.405 20 30 FEEDLO CC(C)NC(=O)OC[C@H]1CCCC[N@@H+]1CC(=O)N[C@](C)(C#N)C(C)C ZINC000796706056 683187944 /nfs/dbraw/zinc/18/79/44/683187944.db2.gz VEAPSFQAXULNNE-CRAIPNDOSA-N 1 2 352.479 2.030 20 30 FEEDLO CC(C)NC(=O)OC[C@H]1CCCC[N@H+]1CC(=O)N[C@](C)(C#N)C(C)C ZINC000796706056 683187947 /nfs/dbraw/zinc/18/79/47/683187947.db2.gz VEAPSFQAXULNNE-CRAIPNDOSA-N 1 2 352.479 2.030 20 30 FEEDLO C[NH+](C)Cc1csc(CNC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)n1 ZINC000927766053 683307776 /nfs/dbraw/zinc/30/77/76/683307776.db2.gz ZMXLQEQLLTVMKY-OAHLLOKOSA-N 1 2 353.451 2.075 20 30 FEEDLO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC=C(Br)C2)cc1 ZINC000799328650 683445877 /nfs/dbraw/zinc/44/58/77/683445877.db2.gz RQZGWTFCGQNPGQ-HNNXBMFYSA-N 1 2 351.244 2.477 20 30 FEEDLO N#CCc1ccc(OC[C@@H](O)C[N@H+]2CCC=C(Br)C2)cc1 ZINC000799328650 683445880 /nfs/dbraw/zinc/44/58/80/683445880.db2.gz RQZGWTFCGQNPGQ-HNNXBMFYSA-N 1 2 351.244 2.477 20 30 FEEDLO CC(F)(F)CCC[NH+]1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000929239066 683567198 /nfs/dbraw/zinc/56/71/98/683567198.db2.gz ACMAQUIBFYCOSK-UHFFFAOYSA-N 1 2 357.426 2.300 20 30 FEEDLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(Cc2cc(Cl)cc(C#N)c2)CC1 ZINC000929825263 683643813 /nfs/dbraw/zinc/64/38/13/683643813.db2.gz PBPYIBGLSCBMEA-OAHLLOKOSA-N 1 2 360.889 2.340 20 30 FEEDLO N#Cc1cccc(CS(=O)(=O)N2CCC(Nc3cccc[nH+]3)CC2)c1 ZINC000864629024 683875208 /nfs/dbraw/zinc/87/52/08/683875208.db2.gz WQMIVRUKXRCBDW-UHFFFAOYSA-N 1 2 356.451 2.360 20 30 FEEDLO C=CC[C@H]1CCCC[C@H]1NC(=O)C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000931669627 684325314 /nfs/dbraw/zinc/32/53/14/684325314.db2.gz XOZBIKUDXWMQLZ-DZGCQCFKSA-N 1 2 364.515 2.072 20 30 FEEDLO CCOCCCN(c1cc[nH+]cc1)S(=O)(=O)c1cnc(C)c(C#N)c1 ZINC000867680041 684350370 /nfs/dbraw/zinc/35/03/70/684350370.db2.gz WHTHYDAVGOLZFO-UHFFFAOYSA-N 1 2 360.439 2.279 20 30 FEEDLO C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000869102678 684581945 /nfs/dbraw/zinc/58/19/45/684581945.db2.gz FCOUUROWYLLSDA-OCCSQVGLSA-N 1 2 368.865 2.350 20 30 FEEDLO C[C@@H]1C[NH+](C[C@H](O)c2cccc(Br)c2)C[C@@H](C)N1CC#N ZINC000878774892 686655940 /nfs/dbraw/zinc/65/59/40/686655940.db2.gz CQPSIWRDGWWBQM-IOASZLSFSA-N 1 2 352.276 2.401 20 30 FEEDLO C[N@H+](CCC(C#N)(c1ccccc1)c1ccccc1)CCS(N)(=O)=O ZINC000880085109 686995796 /nfs/dbraw/zinc/99/57/96/686995796.db2.gz ZFFCPOBIYNSAES-UHFFFAOYSA-N 1 2 357.479 2.107 20 30 FEEDLO C[N@@H+](CCC(C#N)(c1ccccc1)c1ccccc1)CCS(N)(=O)=O ZINC000880085109 686995798 /nfs/dbraw/zinc/99/57/98/686995798.db2.gz ZFFCPOBIYNSAES-UHFFFAOYSA-N 1 2 357.479 2.107 20 30 FEEDLO O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)NC[C@H](O)C(F)(F)C(F)(F)F ZINC000882554438 687391375 /nfs/dbraw/zinc/39/13/75/687391375.db2.gz MHWHZLMRBHSRLU-BQBZGAKWSA-N 1 2 369.212 2.051 20 30 FEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCc1ccc(-c2csc(C)n2)s1 ZINC000884060763 687781621 /nfs/dbraw/zinc/78/16/21/687781621.db2.gz JYKCVMVCGHFLOR-LBPRGKRZSA-N 1 2 365.480 2.243 20 30 FEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000884062559 687781782 /nfs/dbraw/zinc/78/17/82/687781782.db2.gz ULISRGOZHOOHQN-QWHCGFSZSA-N 1 2 354.859 2.440 20 30 FEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CCCOc2cc(Cl)ccc21 ZINC000884331543 687849788 /nfs/dbraw/zinc/84/97/88/687849788.db2.gz QRRDBQVOJWLBRW-UONOGXRCSA-N 1 2 352.818 2.117 20 30 FEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H](C)Cc1c(Cl)cccc1Cl ZINC000884330342 687849799 /nfs/dbraw/zinc/84/97/99/687849799.db2.gz LAYMVQOBGOYAGW-YGRLFVJLSA-N 1 2 359.253 2.487 20 30 FEEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2cc(Cl)ccc2SC)C1 ZINC000891605914 689083070 /nfs/dbraw/zinc/08/30/70/689083070.db2.gz HWFWAYOTOVMBQQ-ZDUSSCGKSA-N 1 2 365.886 2.214 20 30 FEEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cc(Cl)ccc2SC)C1 ZINC000891605914 689083074 /nfs/dbraw/zinc/08/30/74/689083074.db2.gz HWFWAYOTOVMBQQ-ZDUSSCGKSA-N 1 2 365.886 2.214 20 30 FEEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)C1 ZINC000891605513 689083234 /nfs/dbraw/zinc/08/32/34/689083234.db2.gz GEHGROFHUDPAQF-CYBMUJFWSA-N 1 2 354.237 2.146 20 30 FEEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)C1 ZINC000891605513 689083237 /nfs/dbraw/zinc/08/32/37/689083237.db2.gz GEHGROFHUDPAQF-CYBMUJFWSA-N 1 2 354.237 2.146 20 30 FEEDLO C=CCCCN(CC)C(=O)NCC1([NH+]2CCOCC2)CC(OCC)C1 ZINC000894466357 689538125 /nfs/dbraw/zinc/53/81/25/689538125.db2.gz YSJCSHNCRAILOB-UHFFFAOYSA-N 1 2 353.507 2.254 20 30 FEEDLO Cc1[nH]nc(NC(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)c1C#N ZINC000508737950 838492121 /nfs/dbraw/zinc/49/21/21/838492121.db2.gz ONACMHWXFNVIIN-UHFFFAOYSA-N 1 2 363.381 2.067 20 30 FEEDLO N#Cc1ccc(NCC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)nc1 ZINC000497664886 883506841 /nfs/dbraw/zinc/50/68/41/883506841.db2.gz SUVNYVOMRZQWER-UHFFFAOYSA-N 1 2 350.357 2.006 20 30 FEEDLO C[C@@H](Oc1ccccc1C#N)C(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000029764483 539863692 /nfs/dbraw/zinc/86/36/92/539863692.db2.gz GWGOLHLNFPQENZ-MRXNPFEDSA-N 1 2 350.422 2.065 20 30 FEEDLO Cc1ccccc1CNC(=O)[C@@H](C)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000029450033 539854051 /nfs/dbraw/zinc/85/40/51/539854051.db2.gz NGXSYTUMNFPXPY-QGZVFWFLSA-N 1 2 363.465 2.089 20 30 FEEDLO N#CCC[C@H](C#N)C[NH+]1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000030534028 539884108 /nfs/dbraw/zinc/88/41/08/539884108.db2.gz NGTLBTUYFGKFPB-CQSZACIVSA-N 1 2 364.446 2.012 20 30 FEEDLO C[C@@H](NC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1)c1ccc(C#N)cc1 ZINC000031169745 539900590 /nfs/dbraw/zinc/90/05/90/539900590.db2.gz XMURDRXVENCTPL-DNVCBOLYSA-N 1 2 374.510 2.126 20 30 FEEDLO N#Cc1ccc(CCC(=O)NCc2ccc[nH+]c2N2CCOCC2)cc1 ZINC000031328619 539905045 /nfs/dbraw/zinc/90/50/45/539905045.db2.gz MKJGNBPNXYAVLX-UHFFFAOYSA-N 1 2 350.422 2.039 20 30 FEEDLO C=CCOc1ccccc1C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000031936390 539923103 /nfs/dbraw/zinc/92/31/03/539923103.db2.gz USRCDFGCEIDPEC-IBGZPJMESA-N 1 2 362.495 2.189 20 30 FEEDLO N#CCCN(C(=O)C[NH+]1CCN(c2ccc(O)cc2)CC1)c1ccccc1 ZINC000045299701 540209244 /nfs/dbraw/zinc/20/92/44/540209244.db2.gz VNCLOYWBNJCUSH-UHFFFAOYSA-N 1 2 364.449 2.461 20 30 FEEDLO C[C@@H]1CN(c2ccc(CNC(=O)c3cccc(C#N)c3)c[nH+]2)C[C@@H](C)O1 ZINC000046792048 540270811 /nfs/dbraw/zinc/27/08/11/540270811.db2.gz UDXAEPZZXAACHT-HUUCEWRRSA-N 1 2 350.422 2.497 20 30 FEEDLO C[C@@H](NC(=O)NCc1ccc(N2CCOCC2)[nH+]c1)c1ccc(C#N)cc1 ZINC000047955941 540337021 /nfs/dbraw/zinc/33/70/21/540337021.db2.gz YUGMPSLPHXCRKM-OAHLLOKOSA-N 1 2 365.437 2.350 20 30 FEEDLO COc1ccccc1C[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)C[C@@H]1CCCO1 ZINC000051798968 540445150 /nfs/dbraw/zinc/44/51/50/540445150.db2.gz HOPFTHNDBBPWOE-RXVVDRJESA-N 1 2 371.481 2.485 20 30 FEEDLO COc1ccccc1C[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)C[C@@H]1CCCO1 ZINC000051798968 540445152 /nfs/dbraw/zinc/44/51/52/540445152.db2.gz HOPFTHNDBBPWOE-RXVVDRJESA-N 1 2 371.481 2.485 20 30 FEEDLO Cc1ccc2c(c1)c(=O)n(C)c1nnc(C[N@H+](C)Cc3ccc(C#N)cc3)n12 ZINC000052580714 540474568 /nfs/dbraw/zinc/47/45/68/540474568.db2.gz QBJNGLVXKDEXGE-UHFFFAOYSA-N 1 2 372.432 2.393 20 30 FEEDLO Cc1ccc2c(c1)c(=O)n(C)c1nnc(C[N@@H+](C)Cc3ccc(C#N)cc3)n12 ZINC000052580714 540474571 /nfs/dbraw/zinc/47/45/71/540474571.db2.gz QBJNGLVXKDEXGE-UHFFFAOYSA-N 1 2 372.432 2.393 20 30 FEEDLO Cc1cc(NC(=O)[C@H](C)[N@@H+]2CCCN(c3ccccc3C#N)CC2)on1 ZINC000052801307 540490199 /nfs/dbraw/zinc/49/01/99/540490199.db2.gz SNILYKORXJBOKN-HNNXBMFYSA-N 1 2 353.426 2.394 20 30 FEEDLO Cc1cc(NC(=O)[C@H](C)[N@H+]2CCCN(c3ccccc3C#N)CC2)on1 ZINC000052801307 540490200 /nfs/dbraw/zinc/49/02/00/540490200.db2.gz SNILYKORXJBOKN-HNNXBMFYSA-N 1 2 353.426 2.394 20 30 FEEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000054485672 540592165 /nfs/dbraw/zinc/59/21/65/540592165.db2.gz DYYQDEPRGRUXOK-INIZCTEOSA-N 1 2 350.422 2.065 20 30 FEEDLO C=C(Br)C[N@H+]1CCCN(c2cc(C(=O)OC)ccn2)CC1 ZINC000055083361 540626092 /nfs/dbraw/zinc/62/60/92/540626092.db2.gz ZLFVKTJZLAKRKU-UHFFFAOYSA-N 1 2 354.248 2.289 20 30 FEEDLO C=C(Br)C[N@@H+]1CCCN(c2cc(C(=O)OC)ccn2)CC1 ZINC000055083361 540626095 /nfs/dbraw/zinc/62/60/95/540626095.db2.gz ZLFVKTJZLAKRKU-UHFFFAOYSA-N 1 2 354.248 2.289 20 30 FEEDLO C#CCN(CC)C(=O)N[C@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1 ZINC000056583034 540734773 /nfs/dbraw/zinc/73/47/73/540734773.db2.gz KPORAUUPEPQRMC-KRWDZBQOSA-N 1 2 356.426 2.191 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCc3cccc(O)c3)CC2)cc1 ZINC000057179975 540776283 /nfs/dbraw/zinc/77/62/83/540776283.db2.gz QOHZAEBGQASZDC-UHFFFAOYSA-N 1 2 350.422 2.291 20 30 FEEDLO CC(=O)N1CCC[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)CC1 ZINC000057982169 540825651 /nfs/dbraw/zinc/82/56/51/540825651.db2.gz COUVQRMUVMERRY-UHFFFAOYSA-N 1 2 352.438 2.292 20 30 FEEDLO CC(=O)N1CCC[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)CC1 ZINC000057982169 540825656 /nfs/dbraw/zinc/82/56/56/540825656.db2.gz COUVQRMUVMERRY-UHFFFAOYSA-N 1 2 352.438 2.292 20 30 FEEDLO COc1cccc(C(=O)N2CC[NH+](CCOc3ccccc3C#N)CC2)c1 ZINC000060467297 541113099 /nfs/dbraw/zinc/11/30/99/541113099.db2.gz URHACYFZPZWATK-UHFFFAOYSA-N 1 2 365.433 2.404 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Cc1cccc(C(F)(F)F)c1 ZINC000060633803 541119703 /nfs/dbraw/zinc/11/97/03/541119703.db2.gz WQYRQPXHUIDPCT-UHFFFAOYSA-N 1 2 369.387 2.322 20 30 FEEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000063400230 541166764 /nfs/dbraw/zinc/16/67/64/541166764.db2.gz BCHNINVNLYLLLT-UHFFFAOYSA-N 1 2 356.470 2.367 20 30 FEEDLO CN(C(=O)c1ccc(S(=O)(=O)Nc2cc[nH+]cc2)cc1)C1(C#N)CCC1 ZINC000066322076 541301525 /nfs/dbraw/zinc/30/15/25/541301525.db2.gz ZFBSGZVZEVGWCZ-UHFFFAOYSA-N 1 2 370.434 2.401 20 30 FEEDLO C[C@H]1CCC[C@H](NC(=O)C[NH+]2CCN(Cc3ccccc3C#N)CC2)C1 ZINC000066566624 541337734 /nfs/dbraw/zinc/33/77/34/541337734.db2.gz SWAYFGFOGRFOIV-PXNSSMCTSA-N 1 2 354.498 2.371 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCN(c2ccc(Cl)cn2)CC1 ZINC000066869637 541384178 /nfs/dbraw/zinc/38/41/78/541384178.db2.gz PZGNOILWNXGQDW-KBXCAEBGSA-N 1 2 363.893 2.300 20 30 FEEDLO C=C(C)COc1cccc(NC(=O)N2CCC[N@@H+](CC(=O)N(C)C)CC2)c1 ZINC000067320471 541444321 /nfs/dbraw/zinc/44/43/21/541444321.db2.gz XXGJGHQNKWXFEB-UHFFFAOYSA-N 1 2 374.485 2.269 20 30 FEEDLO C=C(C)COc1cccc(NC(=O)N2CCC[N@H+](CC(=O)N(C)C)CC2)c1 ZINC000067320471 541444325 /nfs/dbraw/zinc/44/43/25/541444325.db2.gz XXGJGHQNKWXFEB-UHFFFAOYSA-N 1 2 374.485 2.269 20 30 FEEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(c2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000067348715 541447227 /nfs/dbraw/zinc/44/72/27/541447227.db2.gz ZWEDZSDZOISHJS-GFCCVEGCSA-N 1 2 366.387 2.366 20 30 FEEDLO C=CC[N@@H+](CCC(=O)Nc1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000067399980 541456954 /nfs/dbraw/zinc/45/69/54/541456954.db2.gz VOBWWAXKHJOXJG-CYBMUJFWSA-N 1 2 356.875 2.344 20 30 FEEDLO C=CC[N@H+](CCC(=O)Nc1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000067399980 541456960 /nfs/dbraw/zinc/45/69/60/541456960.db2.gz VOBWWAXKHJOXJG-CYBMUJFWSA-N 1 2 356.875 2.344 20 30 FEEDLO N#Cc1ccc(-n2ccc(NC(=O)[C@@H]3CCn4c[nH+]cc4C3)n2)c(F)c1 ZINC000543919965 541683758 /nfs/dbraw/zinc/68/37/58/541683758.db2.gz PEVMIUKPTLUWJN-CYBMUJFWSA-N 1 2 350.357 2.281 20 30 FEEDLO N#CCCC[NH+]1CCN(C(=O)COc2ccc(Br)cc2)CC1 ZINC000069860358 541719304 /nfs/dbraw/zinc/71/93/04/541719304.db2.gz PJFSFZMUZHBDFJ-UHFFFAOYSA-N 1 2 366.259 2.276 20 30 FEEDLO C=CCn1c(C)cc(C(=O)C[NH+]2CCC(C(=O)N3CCOCC3)CC2)c1C ZINC000070741211 541739698 /nfs/dbraw/zinc/73/96/98/541739698.db2.gz GJEAFTKMKWJIFJ-UHFFFAOYSA-N 1 2 373.497 2.044 20 30 FEEDLO CN(Cc1cnn(C)c1)C(=O)C[N@@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000072898078 541890451 /nfs/dbraw/zinc/89/04/51/541890451.db2.gz PSMPKGHFIMVJPU-OALUTQOASA-N 1 2 351.454 2.150 20 30 FEEDLO CN(Cc1cnn(C)c1)C(=O)C[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000072898078 541890457 /nfs/dbraw/zinc/89/04/57/541890457.db2.gz PSMPKGHFIMVJPU-OALUTQOASA-N 1 2 351.454 2.150 20 30 FEEDLO N#Cc1cccnc1N1CC[NH+](CC(=O)N2CCC[C@H]3CCCC[C@@H]32)CC1 ZINC000073108564 541920134 /nfs/dbraw/zinc/92/01/34/541920134.db2.gz XOLFMKHRJZYWST-MJGOQNOKSA-N 1 2 367.497 2.256 20 30 FEEDLO C=CCNC(=O)NC(=O)CN1CC[NH+]([C@H](C)c2ccc(Cl)cc2)CC1 ZINC000075863324 542211455 /nfs/dbraw/zinc/21/14/55/542211455.db2.gz PDTWDKMMUSVRBY-CQSZACIVSA-N 1 2 364.877 2.030 20 30 FEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCCN(Cc2ccc(F)cc2)CC1 ZINC000076842726 542326307 /nfs/dbraw/zinc/32/63/07/542326307.db2.gz SKCIZVXTUJYODG-KRWDZBQOSA-N 1 2 360.477 2.342 20 30 FEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCCN(Cc2ccc(F)cc2)CC1 ZINC000076842726 542326312 /nfs/dbraw/zinc/32/63/12/542326312.db2.gz SKCIZVXTUJYODG-KRWDZBQOSA-N 1 2 360.477 2.342 20 30 FEEDLO Cc1ccc(NC(=O)CN(CCC#N)CC[NH+]2CCOCC2)c(Cl)c1 ZINC000078681380 542476328 /nfs/dbraw/zinc/47/63/28/542476328.db2.gz ZHTYSGKHHQSFGL-UHFFFAOYSA-N 1 2 364.877 2.135 20 30 FEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](CNC(=O)C(C)C)C1 ZINC000083170222 542692615 /nfs/dbraw/zinc/69/26/15/542692615.db2.gz BLFAOBNSCUWGBF-WMZOPIPTSA-N 1 2 357.454 2.257 20 30 FEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](CNC(=O)C(C)C)C1 ZINC000083170222 542692618 /nfs/dbraw/zinc/69/26/18/542692618.db2.gz BLFAOBNSCUWGBF-WMZOPIPTSA-N 1 2 357.454 2.257 20 30 FEEDLO CC(C)N(C)C(=O)C1CC[NH+]([C@@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000083168577 542693056 /nfs/dbraw/zinc/69/30/56/542693056.db2.gz NBIJZFOJCMWOMS-MRXNPFEDSA-N 1 2 374.510 2.304 20 30 FEEDLO C[C@H](CS(C)(=O)=O)[N@H+](C)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000093384346 542929113 /nfs/dbraw/zinc/92/91/13/542929113.db2.gz XYWIOLBAPCNSJM-OAHLLOKOSA-N 1 2 360.483 2.329 20 30 FEEDLO C[C@H](CS(C)(=O)=O)[N@@H+](C)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000093384346 542929118 /nfs/dbraw/zinc/92/91/18/542929118.db2.gz XYWIOLBAPCNSJM-OAHLLOKOSA-N 1 2 360.483 2.329 20 30 FEEDLO Cc1ccc(Cl)cc1N1CC[NH+](CC(=O)N(CCC#N)CCC#N)CC1 ZINC000096970776 543000780 /nfs/dbraw/zinc/00/07/80/543000780.db2.gz PLWVMYYOJHGYQS-UHFFFAOYSA-N 1 2 373.888 2.426 20 30 FEEDLO C[C@@H](C(=O)NCCc1ccccc1)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000101728784 543043141 /nfs/dbraw/zinc/04/31/41/543043141.db2.gz YVKCWRHJGPMDRV-SFHVURJKSA-N 1 2 362.477 2.428 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000104715730 543138568 /nfs/dbraw/zinc/13/85/68/543138568.db2.gz HQEHPWSZEJUUNF-FQEVSTJZSA-N 1 2 354.454 2.456 20 30 FEEDLO CC(C)N(C)C(=O)C1CCN(C(=O)C[N@H+](CCC#N)CC(C)(C)C)CC1 ZINC000109813138 543339795 /nfs/dbraw/zinc/33/97/95/543339795.db2.gz KIWNWIALFNHJTJ-UHFFFAOYSA-N 1 2 364.534 2.354 20 30 FEEDLO CC(C)N(C)C(=O)C1CCN(C(=O)C[N@@H+](CCC#N)CC(C)(C)C)CC1 ZINC000109813138 543339797 /nfs/dbraw/zinc/33/97/97/543339797.db2.gz KIWNWIALFNHJTJ-UHFFFAOYSA-N 1 2 364.534 2.354 20 30 FEEDLO C[C@@H]([NH2+][C@H](C)c1nnnn1-c1ccccc1)C(=O)Nc1cccc(C#N)c1 ZINC000115604958 543578625 /nfs/dbraw/zinc/57/86/25/543578625.db2.gz JOXJFPSBPAWPRH-ZIAGYGMSSA-N 1 2 361.409 2.212 20 30 FEEDLO C[C@H](C(=O)Nc1ccn(CCC#N)n1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000117854160 543640957 /nfs/dbraw/zinc/64/09/57/543640957.db2.gz ZETHMINZOQOKAJ-OAHLLOKOSA-N 1 2 370.432 2.085 20 30 FEEDLO C#CCC[NH+]1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000119281347 543665582 /nfs/dbraw/zinc/66/55/82/543665582.db2.gz WLAAWZGRMNMHAQ-UHFFFAOYSA-N 1 2 366.215 2.138 20 30 FEEDLO Cn1ncc2c1nc[nH+]c2N1CCN(c2cc(C#N)c3ccccc3n2)CC1 ZINC000122598641 543712233 /nfs/dbraw/zinc/71/22/33/543712233.db2.gz JYKZZRHTQLKQOI-UHFFFAOYSA-N 1 2 370.420 2.110 20 30 FEEDLO N#Cc1ccc([C@@H](O)C[NH+]2CCN(C(=O)c3ccc(F)cc3)CC2)cc1 ZINC000127020390 543968390 /nfs/dbraw/zinc/96/83/90/543968390.db2.gz AGXXLYZITJQOPB-IBGZPJMESA-N 1 2 353.397 2.189 20 30 FEEDLO CC(C)[C@@H](C)NC(=O)C[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000130858413 544168333 /nfs/dbraw/zinc/16/83/33/544168333.db2.gz AFTKKMXYRQMVJA-MRXNPFEDSA-N 1 2 365.481 2.389 20 30 FEEDLO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](c1ccco1)c1ccccc1OC ZINC000130819851 544166266 /nfs/dbraw/zinc/16/62/66/544166266.db2.gz DMNUHDUPCDAQTR-GUYCJALGSA-N 1 2 357.410 2.368 20 30 FEEDLO N#CC1CCN(C(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)CC1 ZINC000146814484 544442192 /nfs/dbraw/zinc/44/21/92/544442192.db2.gz INXIVXKZJCJYAI-UHFFFAOYSA-N 1 2 351.410 2.288 20 30 FEEDLO C=CCOc1cccc(NC(=O)C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000151461770 544543944 /nfs/dbraw/zinc/54/39/44/544543944.db2.gz BNNRPTAFYIFYAD-MAUKXSAKSA-N 1 2 368.437 2.496 20 30 FEEDLO Cc1nn(C)c(C)c1CN1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000153978338 544847643 /nfs/dbraw/zinc/84/76/43/544847643.db2.gz HRTCPZOAWHMLHF-UHFFFAOYSA-N 1 2 364.453 2.197 20 30 FEEDLO C[C@@H]1CCN(C(=O)NCCOc2ccc(C#N)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000154006738 544851862 /nfs/dbraw/zinc/85/18/62/544851862.db2.gz ZJWCDVCGXHPZGH-QAPCUYQASA-N 1 2 353.426 2.426 20 30 FEEDLO Cn1cc(-c2cc(C[NH+]3CCN(c4ccc(C#N)cc4F)CC3)on2)cn1 ZINC000184992413 327893653 /nfs/dbraw/zinc/89/36/53/327893653.db2.gz DRRWFKMJFPTBCC-UHFFFAOYSA-N 1 2 366.400 2.408 20 30 FEEDLO COCCO[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000189651284 328160009 /nfs/dbraw/zinc/16/00/09/328160009.db2.gz GJQXSNRMHYPUDC-OLZOCXBDSA-N 1 2 363.483 2.173 20 30 FEEDLO COCCO[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000189651284 328160011 /nfs/dbraw/zinc/16/00/11/328160011.db2.gz GJQXSNRMHYPUDC-OLZOCXBDSA-N 1 2 363.483 2.173 20 30 FEEDLO Cn1cc(C[NH+]2CCN(c3ccc(Br)cn3)CC2)cc1C#N ZINC000191225327 328254844 /nfs/dbraw/zinc/25/48/44/328254844.db2.gz CFVWYUJRJOINHV-UHFFFAOYSA-N 1 2 360.259 2.376 20 30 FEEDLO N#Cc1ccc(Br)c(C[NH+]2CCN(c3cccnn3)CC2)c1 ZINC000191780809 328281393 /nfs/dbraw/zinc/28/13/93/328281393.db2.gz YQQRVHXAVKZDHP-UHFFFAOYSA-N 1 2 358.243 2.433 20 30 FEEDLO CC(=O)c1ccccc1OCC[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000193772944 328394418 /nfs/dbraw/zinc/39/44/18/328394418.db2.gz WWGZLBWPRGWOPM-UHFFFAOYSA-N 1 2 350.422 2.357 20 30 FEEDLO N#Cc1ccsc1NC(=O)CC[NH+]1CCN(C(=O)c2cccs2)CC1 ZINC000024072411 324407630 /nfs/dbraw/zinc/40/76/30/324407630.db2.gz MPNVTKJOLXQTCM-UHFFFAOYSA-N 1 2 374.491 2.468 20 30 FEEDLO N#Cc1csc(C(=O)N(CCC[NH+]2CCOCC2)Cc2ccncc2)c1 ZINC000084188192 325228754 /nfs/dbraw/zinc/22/87/54/325228754.db2.gz JAZYWECDVRJUHB-UHFFFAOYSA-N 1 2 370.478 2.379 20 30 FEEDLO Cc1ccccc1-c1nc(C[N@H+](C)CCCc2[nH]nc(N)c2C#N)no1 ZINC000089942860 325343644 /nfs/dbraw/zinc/34/36/44/325343644.db2.gz VJKDELXABSTEPY-UHFFFAOYSA-N 1 2 351.414 2.287 20 30 FEEDLO Cc1ccccc1-c1nc(C[N@@H+](C)CCCc2[nH]nc(N)c2C#N)no1 ZINC000089942860 325343646 /nfs/dbraw/zinc/34/36/46/325343646.db2.gz VJKDELXABSTEPY-UHFFFAOYSA-N 1 2 351.414 2.287 20 30 FEEDLO N#Cc1ccc2ncc(C[NH+]3CCN(c4cccc([N+](=O)[O-])c4)CC3)n2c1 ZINC000092047877 325401560 /nfs/dbraw/zinc/40/15/60/325401560.db2.gz AKJFVMDFIAEDEB-UHFFFAOYSA-N 1 2 362.393 2.436 20 30 FEEDLO CCC[N@H+](CC(=O)NC)CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000118832638 326105417 /nfs/dbraw/zinc/10/54/17/326105417.db2.gz LXGGKBRQGYZWEJ-UHFFFAOYSA-N 1 2 362.499 2.285 20 30 FEEDLO CCC[N@@H+](CC(=O)NC)CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000118832638 326105420 /nfs/dbraw/zinc/10/54/20/326105420.db2.gz LXGGKBRQGYZWEJ-UHFFFAOYSA-N 1 2 362.499 2.285 20 30 FEEDLO COc1cc(C#N)ccc1C[NH2+][C@H](c1nc(-c2nc[nH]n2)no1)C(C)C ZINC000120777733 326287135 /nfs/dbraw/zinc/28/71/35/326287135.db2.gz DKMODEYHODBFHF-AWEZNQCLSA-N 1 2 353.386 2.222 20 30 FEEDLO CCOC(=O)c1c[nH]n(C2CC[NH+](Cc3ccc(F)c(C#N)c3)CC2)c1=N ZINC000121081663 326311784 /nfs/dbraw/zinc/31/17/84/326311784.db2.gz LCMXYKOCVLPLMI-UHFFFAOYSA-N 1 2 371.416 2.320 20 30 FEEDLO N#Cc1ccsc1N1CC[C@@H]([NH+]2CCC([C@@H](O)C(F)(F)F)CC2)C1=O ZINC000141105015 326664728 /nfs/dbraw/zinc/66/47/28/326664728.db2.gz LIEFVPBXTYFTOO-CHWSQXEVSA-N 1 2 373.400 2.360 20 30 FEEDLO N#Cc1ccc(N2CC[NH+](CC(=O)Nc3ccc(Cl)cc3)CC2)cn1 ZINC000153235375 326727671 /nfs/dbraw/zinc/72/76/71/326727671.db2.gz AKONPKSOLDDZMA-UHFFFAOYSA-N 1 2 355.829 2.367 20 30 FEEDLO N#Cc1ccc(N2CCC[C@@H](NC(=O)[C@@H]3CCn4cc[nH+]c4C3)C2)c(F)c1 ZINC000161542226 327002171 /nfs/dbraw/zinc/00/21/71/327002171.db2.gz OCHJTNKFKQFSFB-HZPDHXFCSA-N 1 2 367.428 2.241 20 30 FEEDLO N#Cc1cccnc1N1CC[NH+](C[C@H]2CN(c3ccccc3)C(=O)O2)CC1 ZINC000172741380 327216233 /nfs/dbraw/zinc/21/62/33/327216233.db2.gz NLWMGQJYNHRATG-SFHVURJKSA-N 1 2 363.421 2.101 20 30 FEEDLO CCc1nsc(N2CC[NH+](CCOc3ccc(C#N)cc3OC)CC2)n1 ZINC000174321746 327319556 /nfs/dbraw/zinc/31/95/56/327319556.db2.gz PZXFPJQDLXEBPJ-UHFFFAOYSA-N 1 2 373.482 2.182 20 30 FEEDLO Cc1cccc(NC(=O)C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)c1C#N ZINC000174624332 327339718 /nfs/dbraw/zinc/33/97/18/327339718.db2.gz QBGKZQZGVDMZSD-UHFFFAOYSA-N 1 2 373.416 2.366 20 30 FEEDLO CCO[C@@H]1C[C@@H](O)C12CC[NH+]([C@H](C(=O)OC)c1cccc(C#N)c1)CC2 ZINC000177126038 327499324 /nfs/dbraw/zinc/49/93/24/327499324.db2.gz SUHNPCRLEVFRBD-KURKYZTESA-N 1 2 358.438 2.024 20 30 FEEDLO CN1CC[N@H+](C)[C@H](CNc2c(C#N)cnc3ccc(OC(F)F)cc32)C1 ZINC000264688878 329049082 /nfs/dbraw/zinc/04/90/82/329049082.db2.gz BSQYSTCDKVGQMP-CYBMUJFWSA-N 1 2 361.396 2.366 20 30 FEEDLO CN1CC[N@@H+](C)[C@H](CNc2c(C#N)cnc3ccc(OC(F)F)cc32)C1 ZINC000264688878 329049083 /nfs/dbraw/zinc/04/90/83/329049083.db2.gz BSQYSTCDKVGQMP-CYBMUJFWSA-N 1 2 361.396 2.366 20 30 FEEDLO COC[C@@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccco1 ZINC000266914209 329272502 /nfs/dbraw/zinc/27/25/02/329272502.db2.gz CPXUTXTZKJWCFE-GOSISDBHSA-N 1 2 368.437 2.366 20 30 FEEDLO CC[NH+](CC)Cc1nc(C2(NC(=O)c3cc(C#N)c[nH]3)CCCC2)no1 ZINC000267134861 329295220 /nfs/dbraw/zinc/29/52/20/329295220.db2.gz BNCAKCFDHYHRHR-UHFFFAOYSA-N 1 2 356.430 2.310 20 30 FEEDLO CO[C@H]1CC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)C1 ZINC000267829738 329361192 /nfs/dbraw/zinc/36/11/92/329361192.db2.gz QTWIZMUYBBYYLK-HNNXBMFYSA-N 1 2 356.426 2.277 20 30 FEEDLO CO[C@H]1CC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)C1 ZINC000267829738 329361193 /nfs/dbraw/zinc/36/11/93/329361193.db2.gz QTWIZMUYBBYYLK-HNNXBMFYSA-N 1 2 356.426 2.277 20 30 FEEDLO COc1cc(C#N)ccc1OCCCC(=O)N(C)CCCn1cc[nH+]c1 ZINC000268982596 329475196 /nfs/dbraw/zinc/47/51/96/329475196.db2.gz KFJZRDULESJIJI-UHFFFAOYSA-N 1 2 356.426 2.471 20 30 FEEDLO C[C@H]([NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2)c1nncn1C ZINC000274044424 329910794 /nfs/dbraw/zinc/91/07/94/329910794.db2.gz OVCIEFKULYWQFC-NSHDSACASA-N 1 2 358.471 2.306 20 30 FEEDLO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@H]1C(=O)NCC1CCOCC1 ZINC000367072866 330213804 /nfs/dbraw/zinc/21/38/04/330213804.db2.gz PMLNDIHZHRBYQS-SFHVURJKSA-N 1 2 357.454 2.074 20 30 FEEDLO COc1ccc(C#N)cc1C[N@H+]1CCC[C@H]1C(=O)NCC1CCOCC1 ZINC000367072866 330213805 /nfs/dbraw/zinc/21/38/05/330213805.db2.gz PMLNDIHZHRBYQS-SFHVURJKSA-N 1 2 357.454 2.074 20 30 FEEDLO Cc1nc(C[N@@H+](C)[C@@H]2CCCN(c3nc4ccccn4c3C#N)CC2)no1 ZINC000373647201 330248451 /nfs/dbraw/zinc/24/84/51/330248451.db2.gz ZWDZQTQYKKHAQN-OAHLLOKOSA-N 1 2 365.441 2.388 20 30 FEEDLO Cc1nc(C[N@H+](C)[C@@H]2CCCN(c3nc4ccccn4c3C#N)CC2)no1 ZINC000373647201 330248452 /nfs/dbraw/zinc/24/84/52/330248452.db2.gz ZWDZQTQYKKHAQN-OAHLLOKOSA-N 1 2 365.441 2.388 20 30 FEEDLO Cc1oc(NC(=O)[C@H](C)N2CCCC[C@@H]2C[NH+]2CCOCC2)c(C#N)c1C ZINC000157015983 545688120 /nfs/dbraw/zinc/68/81/20/545688120.db2.gz VTZBAIJYLIKTIH-DOTOQJQBSA-N 1 2 374.485 2.282 20 30 FEEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCCC[C@@H]2CN2CCOCC2)c(C#N)c1C ZINC000157015983 545688125 /nfs/dbraw/zinc/68/81/25/545688125.db2.gz VTZBAIJYLIKTIH-DOTOQJQBSA-N 1 2 374.485 2.282 20 30 FEEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CCCC[C@@H]2CN2CCOCC2)c(C#N)c1C ZINC000157015983 545688129 /nfs/dbraw/zinc/68/81/29/545688129.db2.gz VTZBAIJYLIKTIH-DOTOQJQBSA-N 1 2 374.485 2.282 20 30 FEEDLO O=S(=O)([C@@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1)N1CCCC1 ZINC000157269033 545721202 /nfs/dbraw/zinc/72/12/02/545721202.db2.gz NQAGMQMHGCKHOJ-QGZVFWFLSA-N 1 2 352.887 2.191 20 30 FEEDLO O=S(=O)([C@@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1)N1CCCC1 ZINC000157269033 545721204 /nfs/dbraw/zinc/72/12/04/545721204.db2.gz NQAGMQMHGCKHOJ-QGZVFWFLSA-N 1 2 352.887 2.191 20 30 FEEDLO CC[N@H+](CCOc1ccc(C#N)cc1OC)[C@@H](C)CS(=O)(=O)CC ZINC000158142085 545827673 /nfs/dbraw/zinc/82/76/73/545827673.db2.gz BWFKHGHNPMVOBD-AWEZNQCLSA-N 1 2 354.472 2.091 20 30 FEEDLO CC[N@@H+](CCOc1ccc(C#N)cc1OC)[C@@H](C)CS(=O)(=O)CC ZINC000158142085 545827679 /nfs/dbraw/zinc/82/76/79/545827679.db2.gz BWFKHGHNPMVOBD-AWEZNQCLSA-N 1 2 354.472 2.091 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000478209796 561162153 /nfs/dbraw/zinc/16/21/53/561162153.db2.gz MOSUSUYOYJMKRJ-GJZGRUSLSA-N 1 2 361.408 2.430 20 30 FEEDLO CO[C@H](C)c1noc(CN2CCC[N@H+](Cc3cc(F)ccc3C#N)CC2)n1 ZINC000160980879 546089828 /nfs/dbraw/zinc/08/98/28/546089828.db2.gz JDPRMCXXTGFCJU-CQSZACIVSA-N 1 2 373.432 2.496 20 30 FEEDLO CO[C@H](C)c1noc(CN2CCC[N@@H+](Cc3cc(F)ccc3C#N)CC2)n1 ZINC000160980879 546089830 /nfs/dbraw/zinc/08/98/30/546089830.db2.gz JDPRMCXXTGFCJU-CQSZACIVSA-N 1 2 373.432 2.496 20 30 FEEDLO C[N@@H+]1CC[C@H](NS(=O)(=O)CC2(C#N)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000166201300 546155613 /nfs/dbraw/zinc/15/56/13/546155613.db2.gz WVJDNWVXMRLPOY-GJZGRUSLSA-N 1 2 353.875 2.308 20 30 FEEDLO C[N@H+]1CC[C@H](NS(=O)(=O)CC2(C#N)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000166201300 546155615 /nfs/dbraw/zinc/15/56/15/546155615.db2.gz WVJDNWVXMRLPOY-GJZGRUSLSA-N 1 2 353.875 2.308 20 30 FEEDLO C#Cc1cccc(NC(=O)CN(C)Cc2[nH+]ccn2CC(F)(F)F)c1 ZINC000171379514 546205701 /nfs/dbraw/zinc/20/57/01/546205701.db2.gz WTMXZONDCARTGG-UHFFFAOYSA-N 1 2 350.344 2.497 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Nc1nc2c(s1)CCCC2 ZINC000172041611 546235125 /nfs/dbraw/zinc/23/51/25/546235125.db2.gz NRBQEBSGZQJUMF-UHFFFAOYSA-N 1 2 363.487 2.102 20 30 FEEDLO N#CCCn1ccc(NC(=O)N2CC[NH+](CCOc3ccccc3)CC2)n1 ZINC000173376444 546280487 /nfs/dbraw/zinc/28/04/87/546280487.db2.gz ZYLYZNKQYXYQOD-UHFFFAOYSA-N 1 2 368.441 2.025 20 30 FEEDLO C[C@@H]([NH2+]Cc1nnc2n1CCCC2)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000173634860 546284482 /nfs/dbraw/zinc/28/44/82/546284482.db2.gz PDQFIEFCBLOPAK-LLVKDONJSA-N 1 2 370.482 2.153 20 30 FEEDLO Cc1nc(CC(N)=[NH+]O[C@H](C)C(=O)NCCc2cccs2)cs1 ZINC000178145718 546746404 /nfs/dbraw/zinc/74/64/04/546746404.db2.gz RGELNCGBRYKAKK-SNVBAGLBSA-N 1 2 352.485 2.092 20 30 FEEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCc2n[nH]c(=O)cc2C1 ZINC000481321918 561230673 /nfs/dbraw/zinc/23/06/73/561230673.db2.gz YQOWOMILDRBEKN-CYBMUJFWSA-N 1 2 369.400 2.015 20 30 FEEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCc2n[nH]c(=O)cc2C1 ZINC000481321918 561230674 /nfs/dbraw/zinc/23/06/74/561230674.db2.gz YQOWOMILDRBEKN-CYBMUJFWSA-N 1 2 369.400 2.015 20 30 FEEDLO Cc1c(C#N)cccc1NC(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000178564277 546812998 /nfs/dbraw/zinc/81/29/98/546812998.db2.gz HGUZUZDVOLXQMH-UHFFFAOYSA-N 1 2 351.410 2.420 20 30 FEEDLO CCS(=O)(=O)C[C@H](C)[N@H+](C)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180158014 547059555 /nfs/dbraw/zinc/05/95/55/547059555.db2.gz IRERANDFKZCBMY-AWEZNQCLSA-N 1 2 360.483 2.214 20 30 FEEDLO CCS(=O)(=O)C[C@H](C)[N@@H+](C)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180158014 547059557 /nfs/dbraw/zinc/05/95/57/547059557.db2.gz IRERANDFKZCBMY-AWEZNQCLSA-N 1 2 360.483 2.214 20 30 FEEDLO N#Cc1ccsc1NC(=O)CCN1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000482959973 561264007 /nfs/dbraw/zinc/26/40/07/561264007.db2.gz LTIZLHJYDXCVLR-UHFFFAOYSA-N 1 2 370.478 2.472 20 30 FEEDLO C[C@@H](C#N)CNC(=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000182786203 547551886 /nfs/dbraw/zinc/55/18/86/547551886.db2.gz PQNLQKJVJDMPMG-AWEZNQCLSA-N 1 2 350.850 2.206 20 30 FEEDLO Cn1cc(CN(CCC#N)CC[NH+]2CCOCC2)c(-c2ccccc2)n1 ZINC000183373284 547647366 /nfs/dbraw/zinc/64/73/66/547647366.db2.gz XJZWMAZHMGPTCP-UHFFFAOYSA-N 1 2 353.470 2.135 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000184600883 547852005 /nfs/dbraw/zinc/85/20/05/547852005.db2.gz USQQUNPKQDIHAT-RBUKOAKNSA-N 1 2 357.433 2.293 20 30 FEEDLO COc1cccc(-c2noc([C@H](C)[NH2+]CC(=O)N[C@@](C)(C#N)C(C)C)n2)c1 ZINC000185115706 547935916 /nfs/dbraw/zinc/93/59/16/547935916.db2.gz PGEKOEUZLIFXCZ-DJJJIMSYSA-N 1 2 371.441 2.450 20 30 FEEDLO C[C@@H]([NH2+]CC(=O)Nc1sccc1C#N)c1cn(-c2ccccc2)nn1 ZINC000185476919 547989489 /nfs/dbraw/zinc/98/94/89/547989489.db2.gz XWRABQSZGNAYPY-GFCCVEGCSA-N 1 2 352.423 2.490 20 30 FEEDLO CN(C)c1[nH+]cccc1CNS(=O)(=O)c1cc(C#N)ccc1Cl ZINC000186279609 548111789 /nfs/dbraw/zinc/11/17/89/548111789.db2.gz CKYXWHUERJZLDW-UHFFFAOYSA-N 1 2 350.831 2.151 20 30 FEEDLO N#CCOc1cccc(CC(=O)N2CCCN(c3cccc[nH+]3)CC2)c1 ZINC000186376520 548126083 /nfs/dbraw/zinc/12/60/83/548126083.db2.gz WJAHWHXZINKQKI-UHFFFAOYSA-N 1 2 350.422 2.265 20 30 FEEDLO C#CCOc1ccccc1NC(=O)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000187687300 548261614 /nfs/dbraw/zinc/26/16/14/548261614.db2.gz YXRSPHWBABJZTR-UHFFFAOYSA-N 1 2 374.400 2.139 20 30 FEEDLO CCS(=O)(=O)CCCCC[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000190880844 548336321 /nfs/dbraw/zinc/33/63/21/548336321.db2.gz FPXUEIXZNKLAAS-IBGZPJMESA-N 1 2 363.527 2.474 20 30 FEEDLO O=C(CN1CC[NH+](CC#Cc2ccccc2)CC1)Nc1ccc(F)cc1 ZINC000191923295 548352313 /nfs/dbraw/zinc/35/23/13/548352313.db2.gz HYBOUAXSMAVXBI-UHFFFAOYSA-N 1 2 351.425 2.434 20 30 FEEDLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@]1(C#N)CCC[C@@H](C)C1 ZINC000486397715 561346236 /nfs/dbraw/zinc/34/62/36/561346236.db2.gz SHTWKGHCDXNEKR-IDHHARJASA-N 1 2 359.474 2.072 20 30 FEEDLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@]1(C#N)CCC[C@@H](C)C1 ZINC000486397715 561346237 /nfs/dbraw/zinc/34/62/37/561346237.db2.gz SHTWKGHCDXNEKR-IDHHARJASA-N 1 2 359.474 2.072 20 30 FEEDLO CCCCCCCS(=O)(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000195078468 548573377 /nfs/dbraw/zinc/57/33/77/548573377.db2.gz ZLOFQMXPGDUMKA-UHFFFAOYSA-N 1 2 355.504 2.308 20 30 FEEDLO CCCCCCCS(=O)(=O)N1CCCC[C@@H]([NH+]2CCN(C)CC2)C1 ZINC000195442684 548641017 /nfs/dbraw/zinc/64/10/17/548641017.db2.gz KABJENDYCLPALZ-GOSISDBHSA-N 1 2 359.580 2.389 20 30 FEEDLO CO[C@@H]1C[NH+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)C[C@H]1OC ZINC000488057239 561382405 /nfs/dbraw/zinc/38/24/05/561382405.db2.gz WGQQCEREXCTXGB-FVQBIDKESA-N 1 2 363.483 2.222 20 30 FEEDLO C[N@@H+]1CCO[C@H]([C@@H](NC(=O)c2ccc(C#N)cn2)c2ccc(Cl)cc2)C1 ZINC000245713882 548981626 /nfs/dbraw/zinc/98/16/26/548981626.db2.gz FYMKMWWHAQFKJO-ROUUACIJSA-N 1 2 370.840 2.408 20 30 FEEDLO C[N@H+]1CCO[C@H]([C@@H](NC(=O)c2ccc(C#N)cn2)c2ccc(Cl)cc2)C1 ZINC000245713882 548981630 /nfs/dbraw/zinc/98/16/30/548981630.db2.gz FYMKMWWHAQFKJO-ROUUACIJSA-N 1 2 370.840 2.408 20 30 FEEDLO C=CCNC(=O)C[NH+]1CCN([C@@H](C)c2ccc(Br)cc2)CC1 ZINC000488269935 561387255 /nfs/dbraw/zinc/38/72/55/561387255.db2.gz FKICALNVSULPFM-AWEZNQCLSA-N 1 2 366.303 2.430 20 30 FEEDLO C[C@H](CNS(=O)(=O)c1c(F)cc(C#N)cc1F)[N@@H+]1CCC[C@@H](C)C1 ZINC000246464209 549139067 /nfs/dbraw/zinc/13/90/67/549139067.db2.gz GDYLMQWRBGPVNB-VXGBXAGGSA-N 1 2 357.426 2.235 20 30 FEEDLO C[C@H](CNS(=O)(=O)c1c(F)cc(C#N)cc1F)[N@H+]1CCC[C@@H](C)C1 ZINC000246464209 549139071 /nfs/dbraw/zinc/13/90/71/549139071.db2.gz GDYLMQWRBGPVNB-VXGBXAGGSA-N 1 2 357.426 2.235 20 30 FEEDLO N#Cc1cc(S(=O)(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)ccc1F ZINC000488889026 561398861 /nfs/dbraw/zinc/39/88/61/561398861.db2.gz WYDAZHGSQMBYMK-INIZCTEOSA-N 1 2 363.414 2.406 20 30 FEEDLO Cc1ncc(S(=O)(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)cc1C#N ZINC000489080591 561402918 /nfs/dbraw/zinc/40/29/18/561402918.db2.gz XNTQLCCHXHRWTD-QGZVFWFLSA-N 1 2 374.466 2.360 20 30 FEEDLO C=CCC[C@H](O)C[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@H]1c1cnn(C)c1 ZINC000248471898 549448177 /nfs/dbraw/zinc/44/81/77/549448177.db2.gz VYUUHQIWONOQRS-IRXDYDNUSA-N 1 2 364.490 2.341 20 30 FEEDLO C=CCC[C@H](O)C[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@H]1c1cnn(C)c1 ZINC000248471898 549448182 /nfs/dbraw/zinc/44/81/82/549448182.db2.gz VYUUHQIWONOQRS-IRXDYDNUSA-N 1 2 364.490 2.341 20 30 FEEDLO C[N@H+](CCOCC(F)(F)C(F)(F)F)Cc1ncnn1CC(F)F ZINC000490209672 561428889 /nfs/dbraw/zinc/42/88/89/561428889.db2.gz OHKCDCIXOHYMLR-UHFFFAOYSA-N 1 2 352.254 2.189 20 30 FEEDLO C[N@@H+](CCOCC(F)(F)C(F)(F)F)Cc1ncnn1CC(F)F ZINC000490209672 561428890 /nfs/dbraw/zinc/42/88/90/561428890.db2.gz OHKCDCIXOHYMLR-UHFFFAOYSA-N 1 2 352.254 2.189 20 30 FEEDLO COc1ccc(C(N)=[NH+]O[C@H](C)C(=O)N[C@H]2CCOc3ccccc32)cc1 ZINC000264949470 550004305 /nfs/dbraw/zinc/00/43/05/550004305.db2.gz KQTBLPYJUVCKDH-DYVFJYSZSA-N 1 2 369.421 2.361 20 30 FEEDLO CCOC[C@@H]1CCC[N@H+](CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000265070617 550005695 /nfs/dbraw/zinc/00/56/95/550005695.db2.gz PBKUALXVGJYUSH-ZBFHGGJFSA-N 1 2 368.437 2.260 20 30 FEEDLO CCOC[C@@H]1CCC[N@@H+](CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000265070617 550005697 /nfs/dbraw/zinc/00/56/97/550005697.db2.gz PBKUALXVGJYUSH-ZBFHGGJFSA-N 1 2 368.437 2.260 20 30 FEEDLO C[C@](C#N)(NC(=O)C[NH+]1CCN(c2ccc3ccccc3n2)CC1)C1CC1 ZINC000266852655 550024992 /nfs/dbraw/zinc/02/49/92/550024992.db2.gz FEJKQYIWPLQGQL-OAQYLSRUSA-N 1 2 363.465 2.165 20 30 FEEDLO C#CC[N@@H+](CC)CC(=O)N(C)c1ccccc1C(=O)NCc1ccco1 ZINC000266968456 550025699 /nfs/dbraw/zinc/02/56/99/550025699.db2.gz ZBJAMKKAJYOKAM-UHFFFAOYSA-N 1 2 353.422 2.128 20 30 FEEDLO C#CC[N@H+](CC)CC(=O)N(C)c1ccccc1C(=O)NCc1ccco1 ZINC000266968456 550025702 /nfs/dbraw/zinc/02/57/02/550025702.db2.gz ZBJAMKKAJYOKAM-UHFFFAOYSA-N 1 2 353.422 2.128 20 30 FEEDLO COc1cccc(CN(C)C(=O)CO[NH+]=C(N)[C@H](C)OCC(C)C)c1 ZINC000267015974 550026758 /nfs/dbraw/zinc/02/67/58/550026758.db2.gz OXTWEULZBXPNHC-AWEZNQCLSA-N 1 2 351.447 2.004 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@@H]3CCCc4c[nH]nc43)CC2)cc1 ZINC000268932480 550133343 /nfs/dbraw/zinc/13/33/43/550133343.db2.gz ANPAAKHDYPVMSZ-GOSISDBHSA-N 1 2 364.453 2.186 20 30 FEEDLO CSC[C@@H]1CCC[N@@H+]1CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000268952846 550135858 /nfs/dbraw/zinc/13/58/58/550135858.db2.gz FAZVUYHVCSHEFF-JSGCOSHPSA-N 1 2 356.451 2.339 20 30 FEEDLO CSC[C@@H]1CCC[N@H+]1CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000268952846 550135861 /nfs/dbraw/zinc/13/58/61/550135861.db2.gz FAZVUYHVCSHEFF-JSGCOSHPSA-N 1 2 356.451 2.339 20 30 FEEDLO Cc1cscc1NC(=O)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000269630043 550212450 /nfs/dbraw/zinc/21/24/50/550212450.db2.gz WMZSSOPQKFIAFO-UHFFFAOYSA-N 1 2 368.462 2.211 20 30 FEEDLO CCSc1ccc(CC(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1 ZINC000269735472 550221178 /nfs/dbraw/zinc/22/11/78/550221178.db2.gz HWVJWYVURXPMTG-UHFFFAOYSA-N 1 2 361.511 2.416 20 30 FEEDLO COC(=O)C[N@H+](CCC(=O)N(C)CCC#N)Cc1ccc(Cl)cc1 ZINC000271627162 550390575 /nfs/dbraw/zinc/39/05/75/550390575.db2.gz YAFRDIPZTJAMQT-UHFFFAOYSA-N 1 2 351.834 2.077 20 30 FEEDLO COC(=O)C[N@@H+](CCC(=O)N(C)CCC#N)Cc1ccc(Cl)cc1 ZINC000271627162 550390577 /nfs/dbraw/zinc/39/05/77/550390577.db2.gz YAFRDIPZTJAMQT-UHFFFAOYSA-N 1 2 351.834 2.077 20 30 FEEDLO C#CCCN1CC[NH+](C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000271997959 550415133 /nfs/dbraw/zinc/41/51/33/550415133.db2.gz GNXJFBSBLYWPCK-OAHLLOKOSA-N 1 2 357.281 2.374 20 30 FEEDLO C=CCS(=O)(=O)CC[NH2+][C@H](C)c1nnn(-c2cccc(Cl)c2)c1C ZINC000272903600 550476272 /nfs/dbraw/zinc/47/62/72/550476272.db2.gz VMFMGPALAWFPFE-GFCCVEGCSA-N 1 2 368.890 2.481 20 30 FEEDLO CCC[N@H+](CC(=O)Nc1ccccc1OC)[C@@H](C)C(=O)N(C)CCC#N ZINC000274074143 550522047 /nfs/dbraw/zinc/52/20/47/550522047.db2.gz KNPMMPWHWZEUTP-HNNXBMFYSA-N 1 2 360.458 2.106 20 30 FEEDLO CCC[N@@H+](CC(=O)Nc1ccccc1OC)[C@@H](C)C(=O)N(C)CCC#N ZINC000274074143 550522048 /nfs/dbraw/zinc/52/20/48/550522048.db2.gz KNPMMPWHWZEUTP-HNNXBMFYSA-N 1 2 360.458 2.106 20 30 FEEDLO C#CC[N@@H+](CC(=O)Nc1ccccc1C(=O)NCc1ccco1)C1CC1 ZINC000274229053 550528909 /nfs/dbraw/zinc/52/89/09/550528909.db2.gz WGXIDNQBGADDIL-UHFFFAOYSA-N 1 2 351.406 2.246 20 30 FEEDLO C#CC[N@H+](CC(=O)Nc1ccccc1C(=O)NCc1ccco1)C1CC1 ZINC000274229053 550528911 /nfs/dbraw/zinc/52/89/11/550528911.db2.gz WGXIDNQBGADDIL-UHFFFAOYSA-N 1 2 351.406 2.246 20 30 FEEDLO CC(C)(C)OC(=O)NC[C@H]1C[N@H+](Cc2ccc(OCC#N)cc2)CCO1 ZINC000274999019 550570149 /nfs/dbraw/zinc/57/01/49/550570149.db2.gz PIOUKVNIGDSPOL-KRWDZBQOSA-N 1 2 361.442 2.314 20 30 FEEDLO CC(C)(C)OC(=O)NC[C@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)CCO1 ZINC000274999019 550570151 /nfs/dbraw/zinc/57/01/51/550570151.db2.gz PIOUKVNIGDSPOL-KRWDZBQOSA-N 1 2 361.442 2.314 20 30 FEEDLO C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H](c2[nH]cc[nH+]2)C(C)C)cc1 ZINC000276554525 550579096 /nfs/dbraw/zinc/57/90/96/550579096.db2.gz GQYLMODNQFGONR-HNNXBMFYSA-N 1 2 362.455 2.001 20 30 FEEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000278250210 550765195 /nfs/dbraw/zinc/76/51/95/550765195.db2.gz MIPJEAVVSCJONG-CQSZACIVSA-N 1 2 372.860 2.328 20 30 FEEDLO NC(=[NH+]OC[C@@H]1CCS(=O)(=O)C1)c1ccc(OCc2ccccc2)cc1 ZINC000278745530 550817252 /nfs/dbraw/zinc/81/72/52/550817252.db2.gz VTNAYMULJQBRPW-INIZCTEOSA-N 1 2 374.462 2.337 20 30 FEEDLO C=CCOc1ccc(C[NH2+]Cc2ncccc2S(C)(=O)=O)cc1OC ZINC000278798663 550823212 /nfs/dbraw/zinc/82/32/12/550823212.db2.gz RGHAIJOXKOCXSM-UHFFFAOYSA-N 1 2 362.451 2.348 20 30 FEEDLO Cc1cc2[nH+]cn(C[C@H](O)CSc3nnc(CC#N)n3C)c2cc1C ZINC000279821872 550932657 /nfs/dbraw/zinc/93/26/57/550932657.db2.gz BCZCYMJOYQGLDL-ZDUSSCGKSA-N 1 2 356.455 2.001 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)C(=O)Nc2cccc3ncccc32)C1=O ZINC000281384083 551090664 /nfs/dbraw/zinc/09/06/64/551090664.db2.gz PIAQAOGEXHVSAG-KSSFIOAISA-N 1 2 352.438 2.281 20 30 FEEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)C(=O)Nc2cccc3ncccc32)C1=O ZINC000281384083 551090666 /nfs/dbraw/zinc/09/06/66/551090666.db2.gz PIAQAOGEXHVSAG-KSSFIOAISA-N 1 2 352.438 2.281 20 30 FEEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC000281590788 551117267 /nfs/dbraw/zinc/11/72/67/551117267.db2.gz QLSBDDVXRCXQOC-NVXWUHKLSA-N 1 2 364.515 2.260 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000281621646 551121601 /nfs/dbraw/zinc/12/16/01/551121601.db2.gz XALVTIJDONKLRA-ZCNNSNEGSA-N 1 2 373.497 2.340 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000281621640 551121737 /nfs/dbraw/zinc/12/17/37/551121737.db2.gz XALVTIJDONKLRA-AQNXPRMDSA-N 1 2 373.497 2.340 20 30 FEEDLO C=CCN1CC[C@H]([N@H+](CCO)Cc2cc(Br)ccc2F)C1=O ZINC000281938306 551160272 /nfs/dbraw/zinc/16/02/72/551160272.db2.gz IOYLVQMFICYTID-HNNXBMFYSA-N 1 2 371.250 2.169 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+](CCO)Cc2cc(Br)ccc2F)C1=O ZINC000281938306 551160274 /nfs/dbraw/zinc/16/02/74/551160274.db2.gz IOYLVQMFICYTID-HNNXBMFYSA-N 1 2 371.250 2.169 20 30 FEEDLO C=CCN1CC[C@@H]([NH+]2CCN(Cc3csc(C(C)(C)C)n3)CC2)C1=O ZINC000282046714 551173578 /nfs/dbraw/zinc/17/35/78/551173578.db2.gz RIYQAZKGINXKBX-MRXNPFEDSA-N 1 2 362.543 2.345 20 30 FEEDLO C[C@@H](NC(=O)C[NH+]1CCN(c2ccc(C#N)cn2)CC1)c1ccc(F)cc1 ZINC000497486727 561501779 /nfs/dbraw/zinc/50/17/79/561501779.db2.gz SURCBUTVUQBVAU-OAHLLOKOSA-N 1 2 367.428 2.092 20 30 FEEDLO C[C@H](CC#N)N(C)S(=O)(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000282893244 551282788 /nfs/dbraw/zinc/28/27/88/551282788.db2.gz DVQBIAQQNRXXPQ-OAHLLOKOSA-N 1 2 365.503 2.030 20 30 FEEDLO CCN(CCC#N)C(=O)C[NH+]1CCN(c2cncc3ccccc32)CC1 ZINC000283231290 551333095 /nfs/dbraw/zinc/33/30/95/551333095.db2.gz SYMDJVZCEFHFAY-UHFFFAOYSA-N 1 2 351.454 2.119 20 30 FEEDLO Cc1nc(C[NH+]2CCN(c3cc(N)c([N+](=O)[O-])c(C#N)c3)CC2)cs1 ZINC000283657270 551404470 /nfs/dbraw/zinc/40/44/70/551404470.db2.gz VUYOUJSGPFPBAO-UHFFFAOYSA-N 1 2 358.427 2.136 20 30 FEEDLO C=CCN(C)C(=O)C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000283842755 551436557 /nfs/dbraw/zinc/43/65/57/551436557.db2.gz AVKAMBMVZLWXDW-HNNXBMFYSA-N 1 2 367.852 2.377 20 30 FEEDLO C=C(C)CN(CC)C(=O)C(=O)N[C@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000283861489 551439881 /nfs/dbraw/zinc/43/98/81/551439881.db2.gz CGTLPCCRDIJNQX-INIZCTEOSA-N 1 2 358.417 2.189 20 30 FEEDLO Cc1cc(Br)ccc1NC(=O)CO[NH+]=C(N)[C@@H]1CCCO1 ZINC000284054762 551475400 /nfs/dbraw/zinc/47/54/00/551475400.db2.gz JMAFJOGUIRTIKU-LBPRGKRZSA-N 1 2 356.220 2.164 20 30 FEEDLO Cc1cc(Br)ccc1NC(=O)CO[NH+]=C(N)[C@H]1CCCO1 ZINC000284054758 551475435 /nfs/dbraw/zinc/47/54/35/551475435.db2.gz JMAFJOGUIRTIKU-GFCCVEGCSA-N 1 2 356.220 2.164 20 30 FEEDLO Cc1ccc(C#N)cc1S(=O)(=O)N[C@H](c1[nH+]ccn1C)C1CCOCC1 ZINC000284917419 551666599 /nfs/dbraw/zinc/66/65/99/551666599.db2.gz ILGUXRQMTNICAL-KRWDZBQOSA-N 1 2 374.466 2.046 20 30 FEEDLO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCO[C@]3(CCCOC3)C2)cc1C ZINC000285201262 551719449 /nfs/dbraw/zinc/71/94/49/551719449.db2.gz DBQYMDBWYIRBKL-OAQYLSRUSA-N 1 2 371.481 2.432 20 30 FEEDLO Cc1ccc(N(CCC#N)C(=O)C[N@H+]2CCO[C@]3(CCCOC3)C2)cc1C ZINC000285201262 551719450 /nfs/dbraw/zinc/71/94/50/551719450.db2.gz DBQYMDBWYIRBKL-OAQYLSRUSA-N 1 2 371.481 2.432 20 30 FEEDLO COc1ccc(C[N@@H+]2CCN(C)[C@H](c3nc(C4CC4)no3)C2)cc1C#N ZINC000285544917 551772716 /nfs/dbraw/zinc/77/27/16/551772716.db2.gz QFYVYGFHCKOVQM-INIZCTEOSA-N 1 2 353.426 2.316 20 30 FEEDLO COc1ccc(C[N@H+]2CCN(C)[C@H](c3nc(C4CC4)no3)C2)cc1C#N ZINC000285544917 551772717 /nfs/dbraw/zinc/77/27/17/551772717.db2.gz QFYVYGFHCKOVQM-INIZCTEOSA-N 1 2 353.426 2.316 20 30 FEEDLO C[NH+]1CCN(S(=O)(=O)c2cccc(NCC(C)(C)CCC#N)c2)CC1 ZINC000285699669 551797379 /nfs/dbraw/zinc/79/73/79/551797379.db2.gz VUSQZBCBHATRKV-UHFFFAOYSA-N 1 2 364.515 2.365 20 30 FEEDLO C=CCC[C@H](NC(=O)C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1)c1ccccc1 ZINC000286594093 551903726 /nfs/dbraw/zinc/90/37/26/551903726.db2.gz OKYQRIZEPADMLX-SCTDSRPQSA-N 1 2 373.497 2.036 20 30 FEEDLO N#Cc1ccc(N2CC[C@@H](C(=O)NCc3ccn4cc[nH+]c4c3)C2)c(F)c1 ZINC000287336294 551991214 /nfs/dbraw/zinc/99/12/14/551991214.db2.gz MUOYWWRFZFFDDE-MRXNPFEDSA-N 1 2 363.396 2.488 20 30 FEEDLO N#Cc1ccc(N2CC[C@@H](C(=O)NCc3cn4ccccc4[nH+]3)C2)c(F)c1 ZINC000288101046 552091264 /nfs/dbraw/zinc/09/12/64/552091264.db2.gz ARLRLKKYKCNTNH-OAHLLOKOSA-N 1 2 363.396 2.488 20 30 FEEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@]2(Cc2ccccc2)C(=O)OCC)C1=O ZINC000499704821 561556738 /nfs/dbraw/zinc/55/67/38/561556738.db2.gz AXJXRQKUBVZGOI-RXVVDRJESA-N 1 2 356.466 2.414 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@]2(Cc2ccccc2)C(=O)OCC)C1=O ZINC000499704821 561556739 /nfs/dbraw/zinc/55/67/39/561556739.db2.gz AXJXRQKUBVZGOI-RXVVDRJESA-N 1 2 356.466 2.414 20 30 FEEDLO N#Cc1ccc(CNC(=O)C[NH2+][C@@H](CO)c2cccc(Cl)c2F)cc1 ZINC000499935829 561562251 /nfs/dbraw/zinc/56/22/51/561562251.db2.gz BOEFMCMMYQTCFR-INIZCTEOSA-N 1 2 361.804 2.290 20 30 FEEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)N(Cc2ccc(C)cc2)C2CC2)C1=O ZINC000500020848 561564285 /nfs/dbraw/zinc/56/42/85/561564285.db2.gz SVUJRNLBEFZGLD-LJQANCHMSA-N 1 2 355.482 2.205 20 30 FEEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)N(Cc2ccc(C)cc2)C2CC2)C1=O ZINC000500020848 561564286 /nfs/dbraw/zinc/56/42/86/561564286.db2.gz SVUJRNLBEFZGLD-LJQANCHMSA-N 1 2 355.482 2.205 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(Cc3ncc(C4OCCO4)s3)CC2)cc1 ZINC000288954156 552242717 /nfs/dbraw/zinc/24/27/17/552242717.db2.gz AIZMAVVUJQCWRT-UHFFFAOYSA-N 1 2 370.478 2.378 20 30 FEEDLO N#Cc1ccc(N2CC[NH+](CC(=O)Nc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000290467858 552483587 /nfs/dbraw/zinc/48/35/87/552483587.db2.gz GFQAXDVSBJCHAS-UHFFFAOYSA-N 1 2 365.393 2.227 20 30 FEEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000291944518 552677253 /nfs/dbraw/zinc/67/72/53/552677253.db2.gz UGSYPKIBBYKYDX-CABCVRRESA-N 1 2 351.397 2.271 20 30 FEEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000291944518 552677254 /nfs/dbraw/zinc/67/72/54/552677254.db2.gz UGSYPKIBBYKYDX-CABCVRRESA-N 1 2 351.397 2.271 20 30 FEEDLO CC(C)[N@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1)[C@@H]1CCOC1 ZINC000292008027 552684125 /nfs/dbraw/zinc/68/41/25/552684125.db2.gz XQNAAYBDOGDSNB-UKRRQHHQSA-N 1 2 354.410 2.011 20 30 FEEDLO CC(C)[N@@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1)[C@@H]1CCOC1 ZINC000292008027 552684126 /nfs/dbraw/zinc/68/41/26/552684126.db2.gz XQNAAYBDOGDSNB-UKRRQHHQSA-N 1 2 354.410 2.011 20 30 FEEDLO N#CC1(NC(=O)C[N@@H+](Cc2ccc(C(N)=O)cc2F)C2CC2)CCCCC1 ZINC000292093396 552693096 /nfs/dbraw/zinc/69/30/96/552693096.db2.gz FRKOOZQJFFBEMK-UHFFFAOYSA-N 1 2 372.444 2.232 20 30 FEEDLO N#CC1(NC(=O)C[N@H+](Cc2ccc(C(N)=O)cc2F)C2CC2)CCCCC1 ZINC000292093396 552693097 /nfs/dbraw/zinc/69/30/97/552693097.db2.gz FRKOOZQJFFBEMK-UHFFFAOYSA-N 1 2 372.444 2.232 20 30 FEEDLO N#Cc1cc(C(=O)N2CCN(c3cccc[nH+]3)CC2)cnc1C(F)(F)F ZINC000292584910 552740792 /nfs/dbraw/zinc/74/07/92/552740792.db2.gz DTJSWRYJQZEAIZ-UHFFFAOYSA-N 1 2 361.327 2.329 20 30 FEEDLO C=CCN(CCC#N)C(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000293111407 552790013 /nfs/dbraw/zinc/79/00/13/552790013.db2.gz GZXHYGKKTGICBX-UHFFFAOYSA-N 1 2 351.410 2.317 20 30 FEEDLO CCc1nc(C)c(CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)o1 ZINC000293692463 552847756 /nfs/dbraw/zinc/84/77/56/552847756.db2.gz NUXQQMZYLVCBGR-UHFFFAOYSA-N 1 2 367.453 2.445 20 30 FEEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2cccs2)CC1 ZINC000296056133 553097106 /nfs/dbraw/zinc/09/71/06/553097106.db2.gz ROKKGMPNZGKRDX-KRWDZBQOSA-N 1 2 371.510 2.385 20 30 FEEDLO CCN(CC(=O)NC(C)C)C(=O)C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502548745 561620835 /nfs/dbraw/zinc/62/08/35/561620835.db2.gz OHMFTZQWAURIMK-UHFFFAOYSA-N 1 2 368.481 2.020 20 30 FEEDLO CCN(CC(=O)NC(C)C)C(=O)C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502548745 561620836 /nfs/dbraw/zinc/62/08/36/561620836.db2.gz OHMFTZQWAURIMK-UHFFFAOYSA-N 1 2 368.481 2.020 20 30 FEEDLO N#Cc1cnc(NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c([N+](=O)[O-])c1 ZINC000296544025 553176960 /nfs/dbraw/zinc/17/69/60/553176960.db2.gz OCJHVWARODOFRJ-MRXNPFEDSA-N 1 2 353.382 2.174 20 30 FEEDLO N#Cc1cnc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c([N+](=O)[O-])c1 ZINC000296544025 553176962 /nfs/dbraw/zinc/17/69/62/553176962.db2.gz OCJHVWARODOFRJ-MRXNPFEDSA-N 1 2 353.382 2.174 20 30 FEEDLO C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1C)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000298271231 553406519 /nfs/dbraw/zinc/40/65/19/553406519.db2.gz DXSIIWKKORPGQA-SOLBZPMBSA-N 1 2 355.486 2.159 20 30 FEEDLO COc1ccc(C#N)cc1NC(=O)N[C@@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000298275270 553406885 /nfs/dbraw/zinc/40/68/85/553406885.db2.gz GORJZTQKDKLTDH-HNNXBMFYSA-N 1 2 357.414 2.182 20 30 FEEDLO C#CCOc1cccc(NC(=O)N[C@@H](c2[nH+]ccn2C)C(C)(C)CO)c1 ZINC000298299060 553409383 /nfs/dbraw/zinc/40/93/83/553409383.db2.gz HLRBDDQZVWXURF-INIZCTEOSA-N 1 2 356.426 2.313 20 30 FEEDLO N#Cc1ccc(CNC(=O)C[NH+]2CCN(c3ccccc3F)CC2)cc1 ZINC000298477011 553429724 /nfs/dbraw/zinc/42/97/24/553429724.db2.gz SECKXMBYKHZCFV-UHFFFAOYSA-N 1 2 352.413 2.136 20 30 FEEDLO C#CCOc1cc(F)ccc1NC(=O)N[C@@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000298532584 553436933 /nfs/dbraw/zinc/43/69/33/553436933.db2.gz SFHWHTKUBHDONE-INIZCTEOSA-N 1 2 374.416 2.453 20 30 FEEDLO N#Cc1cccc(CS(=O)(=O)NCC[N@@H+]2CCc3sccc3C2)c1 ZINC000299074216 553511714 /nfs/dbraw/zinc/51/17/14/553511714.db2.gz POFZIHVSZZJNGE-UHFFFAOYSA-N 1 2 361.492 2.097 20 30 FEEDLO N#Cc1cccc(CS(=O)(=O)NCC[N@H+]2CCc3sccc3C2)c1 ZINC000299074216 553511715 /nfs/dbraw/zinc/51/17/15/553511715.db2.gz POFZIHVSZZJNGE-UHFFFAOYSA-N 1 2 361.492 2.097 20 30 FEEDLO C=CCN(C(=O)C(=O)Nc1ccccc1OCCn1cc[nH+]c1)C1CC1 ZINC000299563693 553581876 /nfs/dbraw/zinc/58/18/76/553581876.db2.gz GWAURZORYWEIJC-UHFFFAOYSA-N 1 2 354.410 2.078 20 30 FEEDLO C[C@@H]1C[C@@H](C)CN(C(=O)C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)C1 ZINC000301142427 553625512 /nfs/dbraw/zinc/62/55/12/553625512.db2.gz JCMBKUJTQVBEFJ-HZPDHXFCSA-N 1 2 358.461 2.324 20 30 FEEDLO CCc1cc(NCCNC(=O)C2N=CC=CC2=O)nc(-c2ccncc2)[nH+]1 ZINC000301164886 553627471 /nfs/dbraw/zinc/62/74/71/553627471.db2.gz DEUGWFREVMHHQQ-HTXNQAPBSA-N 1 2 364.409 2.039 20 30 FEEDLO CCc1nnc(NC[C@@]2([NH+]3CCOCC3)CCSC2)c(C#N)c1CC ZINC000301608676 553665507 /nfs/dbraw/zinc/66/55/07/553665507.db2.gz ACCVLDDOPPFURL-SFHVURJKSA-N 1 2 361.515 2.093 20 30 FEEDLO C=CCCO[C@H](C)C(=O)Nc1ccc2nc(CC[NH+]3CCOCC3)[nH]c2c1 ZINC000504994358 561665151 /nfs/dbraw/zinc/66/51/51/561665151.db2.gz ODNPGWCGNUPZEL-OAHLLOKOSA-N 1 2 372.469 2.357 20 30 FEEDLO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000321360664 553766322 /nfs/dbraw/zinc/76/63/22/553766322.db2.gz YKIZGMYGKHRFCA-JSGCOSHPSA-N 1 2 353.875 2.459 20 30 FEEDLO C[C@H]1C[N@H+]2CCCC[C@H]2CN1S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000321360664 553766323 /nfs/dbraw/zinc/76/63/23/553766323.db2.gz YKIZGMYGKHRFCA-JSGCOSHPSA-N 1 2 353.875 2.459 20 30 FEEDLO Cn1cc(C#N)cc1C(=O)N1CCC2(C[C@@H]2[N@H+](C)Cc2nccs2)CC1 ZINC000328627416 553798517 /nfs/dbraw/zinc/79/85/17/553798517.db2.gz GBVPZIBCBBTFJN-INIZCTEOSA-N 1 2 369.494 2.480 20 30 FEEDLO Cn1cc(C#N)cc1C(=O)N1CCC2(C[C@@H]2[N@@H+](C)Cc2nccs2)CC1 ZINC000328627416 553798521 /nfs/dbraw/zinc/79/85/21/553798521.db2.gz GBVPZIBCBBTFJN-INIZCTEOSA-N 1 2 369.494 2.480 20 30 FEEDLO Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000328659450 553803897 /nfs/dbraw/zinc/80/38/97/553803897.db2.gz SUCQNRGNRMZZFS-IRXDYDNUSA-N 1 2 363.506 2.058 20 30 FEEDLO Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000328659450 553803899 /nfs/dbraw/zinc/80/38/99/553803899.db2.gz SUCQNRGNRMZZFS-IRXDYDNUSA-N 1 2 363.506 2.058 20 30 FEEDLO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1cn2c(n1)CCCC2 ZINC000328715724 553811232 /nfs/dbraw/zinc/81/12/32/553811232.db2.gz ONUVBMQBTHUYBK-KRWDZBQOSA-N 1 2 354.454 2.425 20 30 FEEDLO O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1cn2c(n1)CCCC2 ZINC000328715724 553811233 /nfs/dbraw/zinc/81/12/33/553811233.db2.gz ONUVBMQBTHUYBK-KRWDZBQOSA-N 1 2 354.454 2.425 20 30 FEEDLO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C[C@@H]2CCCS(=O)(=O)C2)C[C@H](C)O1 ZINC000328717677 553811796 /nfs/dbraw/zinc/81/17/96/553811796.db2.gz USJXYTITOSSHRW-ZNMIVQPWSA-N 1 2 360.520 2.046 20 30 FEEDLO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C[C@@H]2CCCS(=O)(=O)C2)C[C@H](C)O1 ZINC000328717677 553811797 /nfs/dbraw/zinc/81/17/97/553811797.db2.gz USJXYTITOSSHRW-ZNMIVQPWSA-N 1 2 360.520 2.046 20 30 FEEDLO Cc1nc(C[NH+]2CCC(CNC(=O)[C@H]3CCc4[nH]nnc4C3)CC2)oc1C ZINC000328763570 553818650 /nfs/dbraw/zinc/81/86/50/553818650.db2.gz FVFFDTKTTWCSME-HNNXBMFYSA-N 1 2 372.473 2.383 20 30 FEEDLO Cc1nc(C[NH+]2CCC(CNC(=O)[C@H]3CCc4nn[nH]c4C3)CC2)oc1C ZINC000328763570 553818652 /nfs/dbraw/zinc/81/86/52/553818652.db2.gz FVFFDTKTTWCSME-HNNXBMFYSA-N 1 2 372.473 2.383 20 30 FEEDLO CC1(C)CCC(CNC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000328803703 553824391 /nfs/dbraw/zinc/82/43/91/553824391.db2.gz BLBZHSSTHMOYAJ-UHFFFAOYSA-N 1 2 363.506 2.758 20 30 FEEDLO C[C@H](NC(=O)C[C@H]1CCCS(=O)(=O)C1)C1([NH+]2CCOCC2)CCCC1 ZINC000328843899 553831352 /nfs/dbraw/zinc/83/13/52/553831352.db2.gz QUMWQLMBHIHXDA-JKSUJKDBSA-N 1 2 372.531 2.191 20 30 FEEDLO C[N@@H+]1CCO[C@H]2CCN(C(=O)Nc3ncc(C(F)(F)F)s3)C[C@@H]21 ZINC000328936024 553848539 /nfs/dbraw/zinc/84/85/39/553848539.db2.gz ANMBWDFDERBWPY-IUCAKERBSA-N 1 2 350.366 2.112 20 30 FEEDLO C[N@H+]1CCO[C@H]2CCN(C(=O)Nc3ncc(C(F)(F)F)s3)C[C@@H]21 ZINC000328936024 553848543 /nfs/dbraw/zinc/84/85/43/553848543.db2.gz ANMBWDFDERBWPY-IUCAKERBSA-N 1 2 350.366 2.112 20 30 FEEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C ZINC000328981538 553857995 /nfs/dbraw/zinc/85/79/95/553857995.db2.gz RURBSXQAYBOVJX-HONMWMINSA-N 1 2 373.482 2.387 20 30 FEEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C ZINC000328981538 553857999 /nfs/dbraw/zinc/85/79/99/553857999.db2.gz RURBSXQAYBOVJX-HONMWMINSA-N 1 2 373.482 2.387 20 30 FEEDLO CN(C)c1ncc(C[N@H+](C)[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cn1 ZINC000506056068 561688967 /nfs/dbraw/zinc/68/89/67/561688967.db2.gz JVMSTYRKVIMHJY-GOSISDBHSA-N 1 2 364.453 2.042 20 30 FEEDLO CN(C)c1ncc(C[N@@H+](C)[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cn1 ZINC000506056068 561688968 /nfs/dbraw/zinc/68/89/68/561688968.db2.gz JVMSTYRKVIMHJY-GOSISDBHSA-N 1 2 364.453 2.042 20 30 FEEDLO Cn1c[nH+]cc1[C@H]1[C@H](NC(=O)CC2CCOCC2)CCC(=O)N1C1CC1 ZINC000329034138 553868183 /nfs/dbraw/zinc/86/81/83/553868183.db2.gz QPZKGYCLMVIWJC-DNVCBOLYSA-N 1 2 360.458 2.388 20 30 FEEDLO Cc1noc([C@H](NC(=O)NCc2cn3c([nH+]2)CCCC3)C2CCOCC2)n1 ZINC000329076056 553876053 /nfs/dbraw/zinc/87/60/53/553876053.db2.gz CABPOZIEKZUJJA-MRXNPFEDSA-N 1 2 374.445 2.082 20 30 FEEDLO CCc1nc2n(n1)C[C@H]([NH+]=C([O-])N1CCC(Cc3ccc[nH+]c3)CC1)CC2 ZINC000329161727 553892343 /nfs/dbraw/zinc/89/23/43/553892343.db2.gz ZETRHCXVVXVZCC-QGZVFWFLSA-N 1 2 368.485 2.419 20 30 FEEDLO Cn1cc[nH+]c1[C@@H](NC(=O)CN1C(=O)NC(=O)C1(C)C)C1CCOCC1 ZINC000329190635 553898749 /nfs/dbraw/zinc/89/87/49/553898749.db2.gz QCUXWRLBNSCYNH-ZDUSSCGKSA-N 1 2 363.418 2.015 20 30 FEEDLO O=C(N[C@H]1CC(=O)N(C2CCCCC2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000329191276 553899146 /nfs/dbraw/zinc/89/91/46/553899146.db2.gz SHFXXQFXLGCHTR-INIZCTEOSA-N 1 2 371.485 2.051 20 30 FEEDLO CCc1nc([C@H](C)NC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)cs1 ZINC000329243250 553909349 /nfs/dbraw/zinc/90/93/49/553909349.db2.gz STJAABZTXUOIRB-MELADBBJSA-N 1 2 352.504 2.476 20 30 FEEDLO Cc1cc(NC(=O)N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)cnc1N1CCCC[C@H]1C ZINC000329249228 553910350 /nfs/dbraw/zinc/91/03/50/553910350.db2.gz AREYQKYKHFQLMZ-NJAFHUGGSA-N 1 2 373.501 2.329 20 30 FEEDLO Cc1cc(NC(=O)N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)cnc1N1CCCC[C@H]1C ZINC000329249228 553910354 /nfs/dbraw/zinc/91/03/54/553910354.db2.gz AREYQKYKHFQLMZ-NJAFHUGGSA-N 1 2 373.501 2.329 20 30 FEEDLO Cc1cc(NC(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)nn1C ZINC000329348630 553929461 /nfs/dbraw/zinc/92/94/61/553929461.db2.gz CUGMBHFBQOQOQK-HUUCEWRRSA-N 1 2 357.458 2.995 20 30 FEEDLO Cc1ccc(NC(=O)NC(=O)C[N@H+](C)C[C@H]2CCS(=O)(=O)C2)c(C)c1 ZINC000329566608 553968730 /nfs/dbraw/zinc/96/87/30/553968730.db2.gz KVRVOLFHWNFKSL-CQSZACIVSA-N 1 2 367.471 2.172 20 30 FEEDLO Cc1ccc(NC(=O)NC(=O)C[N@@H+](C)C[C@H]2CCS(=O)(=O)C2)c(C)c1 ZINC000329566608 553968731 /nfs/dbraw/zinc/96/87/31/553968731.db2.gz KVRVOLFHWNFKSL-CQSZACIVSA-N 1 2 367.471 2.172 20 30 FEEDLO C[N@@H+](CC(=O)N[C@@H]1CCCc2ccccc21)C[C@H]1CCS(=O)(=O)C1 ZINC000329603968 553975138 /nfs/dbraw/zinc/97/51/38/553975138.db2.gz YRINLKMGTOZGRY-RHSMWYFYSA-N 1 2 350.484 2.387 20 30 FEEDLO C[N@H+](CC(=O)N[C@@H]1CCCc2ccccc21)C[C@H]1CCS(=O)(=O)C1 ZINC000329603968 553975140 /nfs/dbraw/zinc/97/51/40/553975140.db2.gz YRINLKMGTOZGRY-RHSMWYFYSA-N 1 2 350.484 2.387 20 30 FEEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)N[C@@H]3CCO[C@H]3c3ccc(Cl)cc3)C[C@@H]21 ZINC000329631873 553979865 /nfs/dbraw/zinc/97/98/65/553979865.db2.gz WDIIUGSCWGMZNU-TWMKSMIVSA-N 1 2 365.861 2.099 20 30 FEEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)N[C@@H]3CCO[C@H]3c3ccc(Cl)cc3)C[C@@H]21 ZINC000329631873 553979868 /nfs/dbraw/zinc/97/98/68/553979868.db2.gz WDIIUGSCWGMZNU-TWMKSMIVSA-N 1 2 365.861 2.099 20 30 FEEDLO Cc1cc(CCNC(=O)N2CCN(C)[C@@H](c3[nH+]ccn3C)C2)cc(C)c1O ZINC000329824696 554013285 /nfs/dbraw/zinc/01/32/85/554013285.db2.gz HXDAUVGYHJDPQL-QGZVFWFLSA-N 1 2 371.485 2.188 20 30 FEEDLO Cc1cccc([C@@H](CNC(=O)N2C[C@H]3CC[C@@H](C2)O3)[NH+]2CCOCC2)c1 ZINC000329843764 554017123 /nfs/dbraw/zinc/01/71/23/554017123.db2.gz XKXZBMMTNUXFFK-CEXWTWQISA-N 1 2 359.470 2.146 20 30 FEEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)CN1CCOc2ccc(Cl)cc21 ZINC000329874474 554023142 /nfs/dbraw/zinc/02/31/42/554023142.db2.gz CVZYGMWWCSYTCO-ZDUSSCGKSA-N 1 2 353.850 2.216 20 30 FEEDLO C[C@H]1COCC[N@H+]1CCNC(=O)CN1CCOc2ccc(Cl)cc21 ZINC000329874474 554023145 /nfs/dbraw/zinc/02/31/45/554023145.db2.gz CVZYGMWWCSYTCO-ZDUSSCGKSA-N 1 2 353.850 2.216 20 30 FEEDLO C[C@H](Cc1c(F)cccc1F)NC(=O)C[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000329878478 554023601 /nfs/dbraw/zinc/02/36/01/554023601.db2.gz KVFKCDMEHJTTQV-ACJLOTCBSA-N 1 2 354.397 2.344 20 30 FEEDLO C[C@H](Cc1c(F)cccc1F)NC(=O)C[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC000329878478 554023603 /nfs/dbraw/zinc/02/36/03/554023603.db2.gz KVFKCDMEHJTTQV-ACJLOTCBSA-N 1 2 354.397 2.344 20 30 FEEDLO C[N@@H+]1CCO[C@H]2CN(CC(=O)Nc3sc4c(c3C#N)CCCCC4)C[C@H]21 ZINC000329947663 554037329 /nfs/dbraw/zinc/03/73/29/554037329.db2.gz HEKWGMLWBVJVHU-CVEARBPZSA-N 1 2 374.510 2.491 20 30 FEEDLO C[N@H+]1CCO[C@H]2CN(CC(=O)Nc3sc4c(c3C#N)CCCCC4)C[C@H]21 ZINC000329947663 554037333 /nfs/dbraw/zinc/03/73/33/554037333.db2.gz HEKWGMLWBVJVHU-CVEARBPZSA-N 1 2 374.510 2.491 20 30 FEEDLO COc1ccc(Cl)cc1NC(=O)[C@H](C)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000329968640 554040899 /nfs/dbraw/zinc/04/08/99/554040899.db2.gz UAKZJZFZEAADKX-PEYYIBSZSA-N 1 2 353.850 2.340 20 30 FEEDLO COc1ccc(Cl)cc1NC(=O)[C@H](C)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000329968640 554040900 /nfs/dbraw/zinc/04/09/00/554040900.db2.gz UAKZJZFZEAADKX-PEYYIBSZSA-N 1 2 353.850 2.340 20 30 FEEDLO COc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+]1C[C@@H]2[C@H](C1)OCCN2C ZINC000329968640 554040901 /nfs/dbraw/zinc/04/09/01/554040901.db2.gz UAKZJZFZEAADKX-PEYYIBSZSA-N 1 2 353.850 2.340 20 30 FEEDLO COc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+]1C[C@@H]2[C@H](C1)OCCN2C ZINC000329968640 554040902 /nfs/dbraw/zinc/04/09/02/554040902.db2.gz UAKZJZFZEAADKX-PEYYIBSZSA-N 1 2 353.850 2.340 20 30 FEEDLO Cn1cc(N2CC[NH+](CC(=O)NC34CC5CC(CC(C5)C3)C4)CC2)cn1 ZINC000329977875 554042648 /nfs/dbraw/zinc/04/26/48/554042648.db2.gz GNOOQTUXIBBEFS-UHFFFAOYSA-N 1 2 357.502 2.467 20 30 FEEDLO C[C@@H]1C[C@@H](C(=O)NC[C@@H]2C[C@H](F)CN2Cc2[nH+]ccn2C)CC(=O)N1 ZINC000329984925 554043813 /nfs/dbraw/zinc/04/38/13/554043813.db2.gz QTODTYULDFFBRS-MQYQWHSLSA-N 1 2 351.426 2.044 20 30 FEEDLO Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1CNC(=O)[C@@H](O)C1CCCCC1 ZINC000329983475 554043875 /nfs/dbraw/zinc/04/38/75/554043875.db2.gz PPNYRZLDGFQMMA-ZOBUZTSGSA-N 1 2 352.454 2.230 20 30 FEEDLO C[C@@H]1CCCC[C@@H]1OCCNC(=O)N1CCN(C)[C@@H](c2[nH+]ccn2C)C1 ZINC000329984027 554044100 /nfs/dbraw/zinc/04/41/00/554044100.db2.gz BTQGTDUBJAYMRF-ZACQAIPSSA-N 1 2 363.506 2.218 20 30 FEEDLO Cc1ccc([C@@H](CNC(=O)N2C[C@H]3CC[C@@H](C2)O3)[NH+]2CCOCC2)s1 ZINC000330057736 554056495 /nfs/dbraw/zinc/05/64/95/554056495.db2.gz XXSMMSRGBAQTLG-OWCLPIDISA-N 1 2 365.499 2.207 20 30 FEEDLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 ZINC000330106479 554065681 /nfs/dbraw/zinc/06/56/81/554065681.db2.gz KXXXUXFGZGHTGZ-INIZCTEOSA-N 1 2 362.455 2.418 20 30 FEEDLO CC1CCN(c2ccc(CNC(=O)c3cn([C@H]4CCOC4)nn3)c[nH+]2)CC1 ZINC000330113576 554066697 /nfs/dbraw/zinc/06/66/97/554066697.db2.gz SGEIAPKSDIBDGZ-INIZCTEOSA-N 1 2 370.457 2.376 20 30 FEEDLO CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000330267798 554096743 /nfs/dbraw/zinc/09/67/43/554096743.db2.gz QSNDTDKQOBEVPD-CABCVRRESA-N 1 2 354.495 2.283 20 30 FEEDLO COc1cc2c(cc1OC)C[N@H+](CC(=O)N1CCC(C)(C#N)CC1)CC2 ZINC000507841793 561742887 /nfs/dbraw/zinc/74/28/87/561742887.db2.gz SYFVLUVLSFUCCI-UHFFFAOYSA-N 1 2 357.454 2.214 20 30 FEEDLO COc1cc2c(cc1OC)C[N@@H+](CC(=O)N1CCC(C)(C#N)CC1)CC2 ZINC000507841793 561742888 /nfs/dbraw/zinc/74/28/88/561742888.db2.gz SYFVLUVLSFUCCI-UHFFFAOYSA-N 1 2 357.454 2.214 20 30 FEEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)Nc2cccc([S@](C)=O)c2)CCO1 ZINC000330358222 554111169 /nfs/dbraw/zinc/11/11/69/554111169.db2.gz UNPYYOCISKBKOG-RMKYTRAYSA-N 1 2 362.455 2.213 20 30 FEEDLO CCC(=O)N[C@@H]1CCC[N@@H+]([C@H](C)C(=O)NC(=O)Nc2ccc(C)cc2C)C1 ZINC000330748770 554166137 /nfs/dbraw/zinc/16/61/37/554166137.db2.gz HBKZVATWJVHMSW-HZPDHXFCSA-N 1 2 374.485 2.344 20 30 FEEDLO CCC(=O)N[C@@H]1CCC[N@H+]([C@H](C)C(=O)NC(=O)Nc2ccc(C)cc2C)C1 ZINC000330748770 554166138 /nfs/dbraw/zinc/16/61/38/554166138.db2.gz HBKZVATWJVHMSW-HZPDHXFCSA-N 1 2 374.485 2.344 20 30 FEEDLO CC(C)NC(=O)[C@@H]1CCC[C@H](NC(=O)NCc2ccc(N(C)C)[nH+]c2)C1 ZINC000330831698 554176691 /nfs/dbraw/zinc/17/66/91/554176691.db2.gz UXCBICVWYJQJKR-CVEARBPZSA-N 1 2 361.490 2.235 20 30 FEEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN(c2snc(C)c2C#N)CC1 ZINC000330838321 554177934 /nfs/dbraw/zinc/17/79/34/554177934.db2.gz JCLZAVVCVZNSIT-OAHLLOKOSA-N 1 2 361.515 2.258 20 30 FEEDLO C[C@H]1C[NH+](C(C)(C)CNS(=O)(=O)CC2(C#N)CCCCC2)C[C@H](C)O1 ZINC000330888549 554183330 /nfs/dbraw/zinc/18/33/30/554183330.db2.gz UPTXIDXFGZWIJC-HOTGVXAUSA-N 1 2 371.547 2.268 20 30 FEEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NCC[C@H](C)[S@](C)=O)CC1 ZINC000330910706 554186965 /nfs/dbraw/zinc/18/69/65/554186965.db2.gz YKSDBJMMUSYOQA-UDFDBXRZSA-N 1 2 357.545 2.498 20 30 FEEDLO C=CCn1c(CC2CCCCC2)nnc1N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000508487265 561763337 /nfs/dbraw/zinc/76/33/37/561763337.db2.gz FHAJHKKNQHPMKD-SFHVURJKSA-N 1 2 359.518 2.498 20 30 FEEDLO CC(=O)N[C@H](C)C1CC[NH+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC1 ZINC000331121752 554216633 /nfs/dbraw/zinc/21/66/33/554216633.db2.gz NAWQBDKJOPFSJH-CHWSQXEVSA-N 1 2 360.458 2.332 20 30 FEEDLO CC(=O)N[C@H](C)C1CC[NH+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC1 ZINC000331121753 554216998 /nfs/dbraw/zinc/21/69/98/554216998.db2.gz NAWQBDKJOPFSJH-OLZOCXBDSA-N 1 2 360.458 2.332 20 30 FEEDLO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H](C)[S@@]1=O ZINC000331153563 554222496 /nfs/dbraw/zinc/22/24/96/554222496.db2.gz IOLMIHPNDAOLKZ-SSVBQZQLSA-N 1 2 353.875 2.382 20 30 FEEDLO C[C@@H]1C[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H](C)[S@@]1=O ZINC000331153563 554222498 /nfs/dbraw/zinc/22/24/98/554222498.db2.gz IOLMIHPNDAOLKZ-SSVBQZQLSA-N 1 2 353.875 2.382 20 30 FEEDLO C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000331164767 554224467 /nfs/dbraw/zinc/22/44/67/554224467.db2.gz RZGWJEMQSVBVDE-OLZOCXBDSA-N 1 2 366.437 2.281 20 30 FEEDLO C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000331164767 554224468 /nfs/dbraw/zinc/22/44/68/554224468.db2.gz RZGWJEMQSVBVDE-OLZOCXBDSA-N 1 2 366.437 2.281 20 30 FEEDLO C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000331164764 554224504 /nfs/dbraw/zinc/22/45/04/554224504.db2.gz RZGWJEMQSVBVDE-CHWSQXEVSA-N 1 2 366.437 2.281 20 30 FEEDLO C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000331164764 554224506 /nfs/dbraw/zinc/22/45/06/554224506.db2.gz RZGWJEMQSVBVDE-CHWSQXEVSA-N 1 2 366.437 2.281 20 30 FEEDLO C=CCn1c(-c2ccccc2OC)nnc1N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000509012609 561781349 /nfs/dbraw/zinc/78/13/49/561781349.db2.gz QHEILZBOBGJWSY-MRXNPFEDSA-N 1 2 369.469 2.051 20 30 FEEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000331667688 554305102 /nfs/dbraw/zinc/30/51/02/554305102.db2.gz NKBWSYPCZKWUPC-HNNXBMFYSA-N 1 2 374.489 2.044 20 30 FEEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000331667688 554305104 /nfs/dbraw/zinc/30/51/04/554305104.db2.gz NKBWSYPCZKWUPC-HNNXBMFYSA-N 1 2 374.489 2.044 20 30 FEEDLO Cc1nc2sccn2c(=O)c1CC[N@H+](CCC#N)Cc1ccccn1 ZINC000509355866 561796357 /nfs/dbraw/zinc/79/63/57/561796357.db2.gz FJTFVAUKWLSEHZ-UHFFFAOYSA-N 1 2 353.451 2.418 20 30 FEEDLO Cc1nc2sccn2c(=O)c1CC[N@@H+](CCC#N)Cc1ccccn1 ZINC000509355866 561796358 /nfs/dbraw/zinc/79/63/58/561796358.db2.gz FJTFVAUKWLSEHZ-UHFFFAOYSA-N 1 2 353.451 2.418 20 30 FEEDLO C[NH+](C)C1(C#N)CCN(C(=O)Nc2ccc3c(c2)NC(=O)CS3)CC1 ZINC000332605298 554481632 /nfs/dbraw/zinc/48/16/32/554481632.db2.gz NORIGAKLAKKUGJ-UHFFFAOYSA-N 1 2 359.455 2.182 20 30 FEEDLO CCOc1cc(C[NH+]2CCC(F)(C#N)CC2)nc2nc(C(F)(F)F)nn21 ZINC000510904624 561850096 /nfs/dbraw/zinc/85/00/96/561850096.db2.gz ZBOPNISPUOPADQ-UHFFFAOYSA-N 1 2 372.326 2.369 20 30 FEEDLO N#Cc1ccc(-n2ccc(NC(=O)Cc3cn4ccccc4[nH+]3)n2)c(F)c1 ZINC000360471691 554876165 /nfs/dbraw/zinc/87/61/65/554876165.db2.gz DMVDADYVQTVHLC-UHFFFAOYSA-N 1 2 360.352 2.712 20 30 FEEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCCN(c3ncccn3)CC2)c(C#N)c1C ZINC000360973679 554898455 /nfs/dbraw/zinc/89/84/55/554898455.db2.gz VSTGGWKGFSDFKN-AWEZNQCLSA-N 1 2 368.441 2.097 20 30 FEEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CCCN(c3ncccn3)CC2)c(C#N)c1C ZINC000360973679 554898457 /nfs/dbraw/zinc/89/84/57/554898457.db2.gz VSTGGWKGFSDFKN-AWEZNQCLSA-N 1 2 368.441 2.097 20 30 FEEDLO C=C(C)COc1cc(C[N@@H+]2CCN3C(=O)N(CC)C(=O)[C@H]3C2)ccc1OC ZINC000362009639 554944118 /nfs/dbraw/zinc/94/41/18/554944118.db2.gz JDHWBXJLXOBUPI-MRXNPFEDSA-N 1 2 373.453 2.118 20 30 FEEDLO C=C(C)COc1cc(C[N@H+]2CCN3C(=O)N(CC)C(=O)[C@H]3C2)ccc1OC ZINC000362009639 554944121 /nfs/dbraw/zinc/94/41/21/554944121.db2.gz JDHWBXJLXOBUPI-MRXNPFEDSA-N 1 2 373.453 2.118 20 30 FEEDLO C[C@@H](C#N)Oc1ccc(CNc2cnn(CC[NH+]3CCOCC3)c2)cc1 ZINC000362037883 554945976 /nfs/dbraw/zinc/94/59/76/554945976.db2.gz JQNDDHCRLCKULG-INIZCTEOSA-N 1 2 355.442 2.118 20 30 FEEDLO Cn1ccnc1C[NH+]1CCC(C(=O)N(CCC#N)Cc2ccco2)CC1 ZINC000363210195 555054508 /nfs/dbraw/zinc/05/45/08/555054508.db2.gz DDYSLPBBPCXPCX-UHFFFAOYSA-N 1 2 355.442 2.168 20 30 FEEDLO Cc1ccccc1[C@H]1C(=O)NCC[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000363888731 555207499 /nfs/dbraw/zinc/20/74/99/555207499.db2.gz XCIDEJLDLQSRAT-FQEVSTJZSA-N 1 2 362.433 2.368 20 30 FEEDLO Cc1ccccc1[C@H]1C(=O)NCC[N@@H+]1CCC(=O)Nc1ccccc1C#N ZINC000363888731 555207500 /nfs/dbraw/zinc/20/75/00/555207500.db2.gz XCIDEJLDLQSRAT-FQEVSTJZSA-N 1 2 362.433 2.368 20 30 FEEDLO COc1cc(/C=C/C(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)ccc1OCC#N ZINC000364059734 555242577 /nfs/dbraw/zinc/24/25/77/555242577.db2.gz SQJUSAQCCJYQCK-MQDFFIGUSA-N 1 2 366.421 2.360 20 30 FEEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCC[C@@]2(CNC(=O)O2)C1 ZINC000364794727 555405099 /nfs/dbraw/zinc/40/50/99/555405099.db2.gz WYBNFFCGYYOAHO-APPDUMDISA-N 1 2 362.817 2.113 20 30 FEEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCC[C@@]2(CNC(=O)O2)C1 ZINC000364794727 555405101 /nfs/dbraw/zinc/40/51/01/555405101.db2.gz WYBNFFCGYYOAHO-APPDUMDISA-N 1 2 362.817 2.113 20 30 FEEDLO CC(C)(C)n1nnnc1C[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000512835579 561917446 /nfs/dbraw/zinc/91/74/46/561917446.db2.gz XSXIBILNUIUYGH-UHFFFAOYSA-N 1 2 358.421 2.482 20 30 FEEDLO COc1ccc([C@H](NS(=O)(=O)CCCCC#N)c2[nH+]ccn2C)cc1 ZINC000365117997 555489745 /nfs/dbraw/zinc/48/97/45/555489745.db2.gz POBLSWFLLKBLKB-INIZCTEOSA-N 1 2 362.455 2.131 20 30 FEEDLO C#CCn1ccc(CN(CC)C(=O)NC2CCN(c3cccc[nH+]3)CC2)n1 ZINC000365128569 555491559 /nfs/dbraw/zinc/49/15/59/555491559.db2.gz ZDVANYDAXYLBKZ-UHFFFAOYSA-N 1 2 366.469 2.112 20 30 FEEDLO C#Cc1ccccc1CC(=O)N1CCC[C@H]([N@H+](C)Cc2noc(C)n2)CC1 ZINC000365626017 555625331 /nfs/dbraw/zinc/62/53/31/555625331.db2.gz PESPXUORFDDQNZ-IBGZPJMESA-N 1 2 366.465 2.415 20 30 FEEDLO C#Cc1ccccc1CC(=O)N1CCC[C@H]([N@@H+](C)Cc2noc(C)n2)CC1 ZINC000365626017 555625335 /nfs/dbraw/zinc/62/53/35/555625335.db2.gz PESPXUORFDDQNZ-IBGZPJMESA-N 1 2 366.465 2.415 20 30 FEEDLO C#CC[C@@]1(C(=O)N2CCn3c[nH+]cc3C2)CCCN1C(=O)OC(C)(C)C ZINC000365697545 555643518 /nfs/dbraw/zinc/64/35/18/555643518.db2.gz JZGLQYUCWONGLR-IBGZPJMESA-N 1 2 358.442 2.018 20 30 FEEDLO N#Cc1c(F)ccc(C[N@@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)c1Cl ZINC000366049131 555736755 /nfs/dbraw/zinc/73/67/55/555736755.db2.gz KWWWUGMVNYMNRZ-ZDUSSCGKSA-N 1 2 371.865 2.351 20 30 FEEDLO N#Cc1c(F)ccc(C[N@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)c1Cl ZINC000366049131 555736756 /nfs/dbraw/zinc/73/67/56/555736756.db2.gz KWWWUGMVNYMNRZ-ZDUSSCGKSA-N 1 2 371.865 2.351 20 30 FEEDLO C[C@H](C(=O)Nc1ccc(Cl)cn1)[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000366357996 555821193 /nfs/dbraw/zinc/82/11/93/555821193.db2.gz XRPGESLGBLNVDA-IUODEOHRSA-N 1 2 371.828 2.482 20 30 FEEDLO C[C@H](C(=O)Nc1ccc(Cl)cn1)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000366357996 555821194 /nfs/dbraw/zinc/82/11/94/555821194.db2.gz XRPGESLGBLNVDA-IUODEOHRSA-N 1 2 371.828 2.482 20 30 FEEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1C[C@H](C)O[C@@]2(CCOC2)C1 ZINC000366587766 555884485 /nfs/dbraw/zinc/88/44/85/555884485.db2.gz ZMGACMCPFDMBFH-OXNJRSESSA-N 1 2 363.502 2.186 20 30 FEEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1C[C@H](C)O[C@@]2(CCOC2)C1 ZINC000366587766 555884489 /nfs/dbraw/zinc/88/44/89/555884489.db2.gz ZMGACMCPFDMBFH-OXNJRSESSA-N 1 2 363.502 2.186 20 30 FEEDLO Cc1cn2c([nH+]1)[C@@H](CNS(=O)(=O)c1c(F)cc(C#N)cc1F)CCC2 ZINC000366701801 555912975 /nfs/dbraw/zinc/91/29/75/555912975.db2.gz LOIKPHGHGDZNIE-GFCCVEGCSA-N 1 2 366.393 2.197 20 30 FEEDLO N#Cc1ccc(Cl)c(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)c1 ZINC000367511695 556070408 /nfs/dbraw/zinc/07/04/08/556070408.db2.gz CXXNJNYJEQEHQL-QGZVFWFLSA-N 1 2 365.886 2.149 20 30 FEEDLO C#CC[C@H](Cc1ccccc1)NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000367865663 556158721 /nfs/dbraw/zinc/15/87/21/556158721.db2.gz PQJXSPJWWKYTIY-SXLOBPIMSA-N 1 2 355.482 2.126 20 30 FEEDLO Cc1nc(C(=O)NCC2(N3CC[NH+](C)CC3)CCCCCC2)ccc1C#N ZINC000368748399 556404331 /nfs/dbraw/zinc/40/43/31/556404331.db2.gz XYKOPUHQAJGZBY-UHFFFAOYSA-N 1 2 369.513 2.332 20 30 FEEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)c1C ZINC000368976286 556465558 /nfs/dbraw/zinc/46/55/58/556465558.db2.gz VIDIBHAJUDWTMS-QKLQHJQFSA-N 1 2 368.481 2.136 20 30 FEEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)c1C ZINC000368976286 556465560 /nfs/dbraw/zinc/46/55/60/556465560.db2.gz VIDIBHAJUDWTMS-QKLQHJQFSA-N 1 2 368.481 2.136 20 30 FEEDLO CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[NH+]2CCC(n3cnc(C#N)n3)CC2)c1C ZINC000369374178 556584116 /nfs/dbraw/zinc/58/41/16/556584116.db2.gz HXGVTPARAMAZQJ-CYBMUJFWSA-N 1 2 368.441 2.206 20 30 FEEDLO N#Cc1cccc(CNC(=O)C[N@H+]2Cc3ccccc3[C@H](n3cccn3)C2)c1 ZINC000369432627 556599171 /nfs/dbraw/zinc/59/91/71/556599171.db2.gz BMZOODUSMYHRBE-OAQYLSRUSA-N 1 2 371.444 2.476 20 30 FEEDLO N#Cc1cccc(CNC(=O)C[N@@H+]2Cc3ccccc3[C@H](n3cccn3)C2)c1 ZINC000369432627 556599174 /nfs/dbraw/zinc/59/91/74/556599174.db2.gz BMZOODUSMYHRBE-OAQYLSRUSA-N 1 2 371.444 2.476 20 30 FEEDLO CCc1cc(N2CCC(n3cnc(C#N)n3)CC2)nc(-c2ccncc2)[nH+]1 ZINC000369533737 556623332 /nfs/dbraw/zinc/62/33/32/556623332.db2.gz VPQNAYMYFFPXPF-UHFFFAOYSA-N 1 2 360.425 2.406 20 30 FEEDLO N#Cc1ccc(OCCNC(=O)[C@@H]2CCCN(c3cccc[nH+]3)C2)cc1 ZINC000369668947 556663888 /nfs/dbraw/zinc/66/38/88/556663888.db2.gz ZGCKGQFWGBJYIC-QGZVFWFLSA-N 1 2 350.422 2.365 20 30 FEEDLO C[C@@H]1C[C@@]2(C[C@@H]2C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCO1 ZINC000369900229 556725325 /nfs/dbraw/zinc/72/53/25/556725325.db2.gz AIFRITRRLCHZEP-OZOXKJRCSA-N 1 2 353.466 2.408 20 30 FEEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1)CCC2 ZINC000370932667 557021153 /nfs/dbraw/zinc/02/11/53/557021153.db2.gz JUCUAFTXODOQHX-GFCCVEGCSA-N 1 2 371.828 2.349 20 30 FEEDLO Cc1c([C@@H]2CCC[N@@H+]2CCS(=O)(=O)c2cccc(C#N)c2)cnn1C ZINC000371381537 557167339 /nfs/dbraw/zinc/16/73/39/557167339.db2.gz YVIHJNWQZMHPRK-SFHVURJKSA-N 1 2 358.467 2.211 20 30 FEEDLO Cc1c([C@@H]2CCC[N@H+]2CCS(=O)(=O)c2cccc(C#N)c2)cnn1C ZINC000371381537 557167344 /nfs/dbraw/zinc/16/73/44/557167344.db2.gz YVIHJNWQZMHPRK-SFHVURJKSA-N 1 2 358.467 2.211 20 30 FEEDLO N#CCCN(CC1CC1)C(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000518134212 562105174 /nfs/dbraw/zinc/10/51/74/562105174.db2.gz IWHXBLRABPSEGL-GOSISDBHSA-N 1 2 371.485 2.170 20 30 FEEDLO N#CCCN(CC1CC1)C(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000518134212 562105175 /nfs/dbraw/zinc/10/51/75/562105175.db2.gz IWHXBLRABPSEGL-GOSISDBHSA-N 1 2 371.485 2.170 20 30 FEEDLO C=CCC[C@@H](NC(=O)N1CCC[N@@H+](CC(=O)NC)CC1)c1ccccc1 ZINC000372091761 557378162 /nfs/dbraw/zinc/37/81/62/557378162.db2.gz JPAYWKWESQUUFX-GOSISDBHSA-N 1 2 358.486 2.157 20 30 FEEDLO C=CCC[C@@H](NC(=O)N1CCC[N@H+](CC(=O)NC)CC1)c1ccccc1 ZINC000372091761 557378165 /nfs/dbraw/zinc/37/81/65/557378165.db2.gz JPAYWKWESQUUFX-GOSISDBHSA-N 1 2 358.486 2.157 20 30 FEEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCOC3(CCOCC3)CC2)c(C#N)c1C ZINC000372204820 557408647 /nfs/dbraw/zinc/40/86/47/557408647.db2.gz LILHRFNLXVEMOW-CQSZACIVSA-N 1 2 361.442 2.367 20 30 FEEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCOC3(CCOCC3)CC2)c(C#N)c1C ZINC000372204820 557408649 /nfs/dbraw/zinc/40/86/49/557408649.db2.gz LILHRFNLXVEMOW-CQSZACIVSA-N 1 2 361.442 2.367 20 30 FEEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)C(=O)Nc1cc(C#N)ccc1C)CCC2 ZINC000372224358 557414399 /nfs/dbraw/zinc/41/43/99/557414399.db2.gz RGADWHJGEWJAFL-HNNXBMFYSA-N 1 2 351.410 2.004 20 30 FEEDLO C=CC[C@H](C(=O)NC[C@]1([NH+]2CCOCC2)CCCOC1)c1ccccc1 ZINC000372294102 557431875 /nfs/dbraw/zinc/43/18/75/557431875.db2.gz IDJRBOXKPAGIMN-PZJWPPBQSA-N 1 2 358.482 2.344 20 30 FEEDLO CCO[C@H](C)c1noc(CN2CCC[N@H+](Cc3ccc(C#N)o3)CC2)n1 ZINC000372588146 557513609 /nfs/dbraw/zinc/51/36/09/557513609.db2.gz NQJKTUOFWXHCSU-CQSZACIVSA-N 1 2 359.430 2.340 20 30 FEEDLO CCO[C@H](C)c1noc(CN2CCC[N@@H+](Cc3ccc(C#N)o3)CC2)n1 ZINC000372588146 557513612 /nfs/dbraw/zinc/51/36/12/557513612.db2.gz NQJKTUOFWXHCSU-CQSZACIVSA-N 1 2 359.430 2.340 20 30 FEEDLO C[C@H](NC[C@@H](O)C[N@H+](C)CCC#N)c1noc(-c2ccc(Cl)cc2)n1 ZINC000519769735 562143311 /nfs/dbraw/zinc/14/33/11/562143311.db2.gz QBSNMMGTKYHRAJ-SWLSCSKDSA-N 1 2 363.849 2.247 20 30 FEEDLO C[C@H](NC[C@@H](O)C[N@@H+](C)CCC#N)c1noc(-c2ccc(Cl)cc2)n1 ZINC000519769735 562143312 /nfs/dbraw/zinc/14/33/12/562143312.db2.gz QBSNMMGTKYHRAJ-SWLSCSKDSA-N 1 2 363.849 2.247 20 30 FEEDLO C[C@H]([NH2+]C[C@@H](O)CN(C)CCC#N)c1noc(-c2ccc(Cl)cc2)n1 ZINC000519769735 562143313 /nfs/dbraw/zinc/14/33/13/562143313.db2.gz QBSNMMGTKYHRAJ-SWLSCSKDSA-N 1 2 363.849 2.247 20 30 FEEDLO N#Cc1cc(F)ccc1CS(=O)(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000519866038 562147109 /nfs/dbraw/zinc/14/71/09/562147109.db2.gz ZZYKQNHQLFWOFD-QGZVFWFLSA-N 1 2 361.398 2.075 20 30 FEEDLO N#Cc1c(C[N@H+]2CCC[C@@H]2C(=O)NCC2CCOCC2)cn2ccccc12 ZINC000374363399 557871852 /nfs/dbraw/zinc/87/18/52/557871852.db2.gz IAXUEINZLGPGBB-HXUWFJFHSA-N 1 2 366.465 2.318 20 30 FEEDLO N#Cc1c(C[N@@H+]2CCC[C@@H]2C(=O)NCC2CCOCC2)cn2ccccc12 ZINC000374363399 557871853 /nfs/dbraw/zinc/87/18/53/557871853.db2.gz IAXUEINZLGPGBB-HXUWFJFHSA-N 1 2 366.465 2.318 20 30 FEEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@H](c2nc(N(C)C)no2)C1 ZINC000374636900 557910199 /nfs/dbraw/zinc/91/01/99/557910199.db2.gz OZCSKMWPDGYLNI-HIFRSBDPSA-N 1 2 368.441 2.214 20 30 FEEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@H](c2nc(N(C)C)no2)C1 ZINC000374636900 557910201 /nfs/dbraw/zinc/91/02/01/557910201.db2.gz OZCSKMWPDGYLNI-HIFRSBDPSA-N 1 2 368.441 2.214 20 30 FEEDLO Cc1oc(NC(=O)C[N@@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)c(C#N)c1C ZINC000374884683 557945631 /nfs/dbraw/zinc/94/56/31/557945631.db2.gz WLEOTERYQAYKNZ-IBGZPJMESA-N 1 2 357.385 2.439 20 30 FEEDLO Cc1oc(NC(=O)C[N@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)c(C#N)c1C ZINC000374884683 557945632 /nfs/dbraw/zinc/94/56/32/557945632.db2.gz WLEOTERYQAYKNZ-IBGZPJMESA-N 1 2 357.385 2.439 20 30 FEEDLO CC(C)[C@H](CNC(=O)[C@@]1(C#N)CCc2ccccc2C1)[NH+]1CCOCC1 ZINC000375015750 557964497 /nfs/dbraw/zinc/96/44/97/557964497.db2.gz DNZUHMIXOYZZHM-FPOVZHCZSA-N 1 2 355.482 2.158 20 30 FEEDLO CO[C@H]1C[C@H](c2nc(C3CC3)no2)N(Cc2c[nH+]c3ccc(C#N)cn23)C1 ZINC000375269763 558001844 /nfs/dbraw/zinc/00/18/44/558001844.db2.gz RTDKJQOLUKUCNS-JKSUJKDBSA-N 1 2 364.409 2.428 20 30 FEEDLO N#Cc1cccc(CNC(=O)C[NH+]2CCN(c3ccccc3F)CC2)c1 ZINC000521194998 562171348 /nfs/dbraw/zinc/17/13/48/562171348.db2.gz LIKKCPUCEYCZTI-UHFFFAOYSA-N 1 2 352.413 2.136 20 30 FEEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCO[C@]2(CCCOC2)C1 ZINC000375652080 558062634 /nfs/dbraw/zinc/06/26/34/558062634.db2.gz JWHXPZZAWOVMNR-LNXHZJMOSA-N 1 2 363.502 2.187 20 30 FEEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCO[C@]2(CCCOC2)C1 ZINC000375652080 558062636 /nfs/dbraw/zinc/06/26/36/558062636.db2.gz JWHXPZZAWOVMNR-LNXHZJMOSA-N 1 2 363.502 2.187 20 30 FEEDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)NCCOc1ccc(C#N)cc1 ZINC000376455506 558175688 /nfs/dbraw/zinc/17/56/88/558175688.db2.gz QXRHWVIXJBFGNY-UHFFFAOYSA-N 1 2 353.426 2.311 20 30 FEEDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)C1 ZINC000376496399 558180860 /nfs/dbraw/zinc/18/08/60/558180860.db2.gz WZBFOZAIEYJJOV-RTBURBONSA-N 1 2 361.449 2.455 20 30 FEEDLO N#Cc1ccc(NC(=O)C[N@@H+]2[C@H](C(N)=O)C[C@H]3CCCC[C@@H]32)cc1Cl ZINC000377169067 558280940 /nfs/dbraw/zinc/28/09/40/558280940.db2.gz SZMIMFKRVGYLRV-RLCCDNCMSA-N 1 2 360.845 2.269 20 30 FEEDLO N#Cc1ccc(NC(=O)C[N@H+]2[C@H](C(N)=O)C[C@H]3CCCC[C@@H]32)cc1Cl ZINC000377169067 558280942 /nfs/dbraw/zinc/28/09/42/558280942.db2.gz SZMIMFKRVGYLRV-RLCCDNCMSA-N 1 2 360.845 2.269 20 30 FEEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)NCCOc1ccc(C#N)cc1)CCC2 ZINC000378242256 558509880 /nfs/dbraw/zinc/50/98/80/558509880.db2.gz BXYRADDCZHLZOT-INIZCTEOSA-N 1 2 353.426 2.319 20 30 FEEDLO C=CCOCCNC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000378558762 558582788 /nfs/dbraw/zinc/58/27/88/558582788.db2.gz IYXGCMRBAQWDBH-DLBZAZTESA-N 1 2 367.877 2.214 20 30 FEEDLO C=CCOCCNC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000378558762 558582790 /nfs/dbraw/zinc/58/27/90/558582790.db2.gz IYXGCMRBAQWDBH-DLBZAZTESA-N 1 2 367.877 2.214 20 30 FEEDLO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000408182918 558654566 /nfs/dbraw/zinc/65/45/66/558654566.db2.gz OBERNPDWIYDVRM-JSGCOSHPSA-N 1 2 353.875 2.459 20 30 FEEDLO C[C@H]1C[N@H+]2CCCC[C@H]2CN1S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000408182918 558654568 /nfs/dbraw/zinc/65/45/68/558654568.db2.gz OBERNPDWIYDVRM-JSGCOSHPSA-N 1 2 353.875 2.459 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cnc4cnccc4c3)CC2)cc1 ZINC000409483083 558695918 /nfs/dbraw/zinc/69/59/18/558695918.db2.gz HYVSBULGXGOCMJ-UHFFFAOYSA-N 1 2 357.417 2.459 20 30 FEEDLO CC[C@@H](C)[N@H+](CC(=O)NC1(C#N)CCC1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000525893611 562258881 /nfs/dbraw/zinc/25/88/81/562258881.db2.gz LUJOOSNUJSMFBS-CQSZACIVSA-N 1 2 367.453 2.498 20 30 FEEDLO CC[C@@H](C)[N@@H+](CC(=O)NC1(C#N)CCC1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000525893611 562258882 /nfs/dbraw/zinc/25/88/82/562258882.db2.gz LUJOOSNUJSMFBS-CQSZACIVSA-N 1 2 367.453 2.498 20 30 FEEDLO COc1cc(C[NH+]2CCN(c3ncc(C#N)cc3F)CC2)cc(OC)c1 ZINC000413182195 559086377 /nfs/dbraw/zinc/08/63/77/559086377.db2.gz KMBDYTLMJWWSKD-UHFFFAOYSA-N 1 2 356.401 2.432 20 30 FEEDLO C=CCn1c(SC[C@H](O)C[N@H+](C)CCC#N)nnc1-c1ccoc1C ZINC000414095589 559149093 /nfs/dbraw/zinc/14/90/93/559149093.db2.gz KNUDHVIDMOBVEI-CQSZACIVSA-N 1 2 361.471 2.331 20 30 FEEDLO C=CCn1c(SC[C@H](O)C[N@@H+](C)CCC#N)nnc1-c1ccoc1C ZINC000414095589 559149094 /nfs/dbraw/zinc/14/90/94/559149094.db2.gz KNUDHVIDMOBVEI-CQSZACIVSA-N 1 2 361.471 2.331 20 30 FEEDLO Cn1c(SC[C@H](O)C[N@H+](C)CCC#N)nnc1-c1ccccc1Cl ZINC000414093811 559149102 /nfs/dbraw/zinc/14/91/02/559149102.db2.gz HVGSGSXGBZVHCP-GFCCVEGCSA-N 1 2 365.890 2.434 20 30 FEEDLO Cn1c(SC[C@H](O)C[N@@H+](C)CCC#N)nnc1-c1ccccc1Cl ZINC000414093811 559149103 /nfs/dbraw/zinc/14/91/03/559149103.db2.gz HVGSGSXGBZVHCP-GFCCVEGCSA-N 1 2 365.890 2.434 20 30 FEEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cccc2c1OC(F)(F)O2 ZINC000414409994 559162340 /nfs/dbraw/zinc/16/23/40/559162340.db2.gz NTMWFJFHNFYTNU-LBPRGKRZSA-N 1 2 373.363 2.380 20 30 FEEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cccc2c1OC(F)(F)O2 ZINC000414409994 559162341 /nfs/dbraw/zinc/16/23/41/559162341.db2.gz NTMWFJFHNFYTNU-LBPRGKRZSA-N 1 2 373.363 2.380 20 30 FEEDLO N#Cc1cc(F)c(S(=O)(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)c(F)c1 ZINC000528546982 562335399 /nfs/dbraw/zinc/33/53/99/562335399.db2.gz GBVWIHLRHPGPEU-ZDUSSCGKSA-N 1 2 355.410 2.132 20 30 FEEDLO N#Cc1cc(F)c(S(=O)(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)c(F)c1 ZINC000528546982 562335400 /nfs/dbraw/zinc/33/54/00/562335400.db2.gz GBVWIHLRHPGPEU-ZDUSSCGKSA-N 1 2 355.410 2.132 20 30 FEEDLO C=CCC[C@@H]1NC(=O)N([C@@H](C[NH+]2CCOCC2)c2ccc(C)cc2)C1=O ZINC000419929641 559465058 /nfs/dbraw/zinc/46/50/58/559465058.db2.gz WARWCLAPNJDSJD-ROUUACIJSA-N 1 2 357.454 2.255 20 30 FEEDLO C[C@H]1CN(c2ccc(CNC(=O)NCc3ccc(C#N)s3)c[nH+]2)CCO1 ZINC000420780344 559503961 /nfs/dbraw/zinc/50/39/61/559503961.db2.gz NIPXQFDEVUQMTL-ZDUSSCGKSA-N 1 2 371.466 2.239 20 30 FEEDLO Cc1c(Cl)c(C[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)nn1C ZINC000421398659 559541235 /nfs/dbraw/zinc/54/12/35/559541235.db2.gz SQCUTYKPFPKXGG-HNNXBMFYSA-N 1 2 357.845 2.144 20 30 FEEDLO Cc1cc(CNC(=O)[C@H]2CCC(=O)N2Cc2cccc(C#N)c2)cc(C)[nH+]1 ZINC000421575417 559545564 /nfs/dbraw/zinc/54/55/64/559545564.db2.gz KDWQFDFHNAQUMQ-LJQANCHMSA-N 1 2 362.433 2.378 20 30 FEEDLO CN(C)c1[nH+]cccc1O[C@@H]1CCN(C(=O)NCc2ccc(C#N)s2)C1 ZINC000422220212 559572133 /nfs/dbraw/zinc/57/21/33/559572133.db2.gz RUUSZIABYUAUQO-CYBMUJFWSA-N 1 2 371.466 2.444 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000424930945 559680250 /nfs/dbraw/zinc/68/02/50/559680250.db2.gz ICKYITTYUHASET-GJYPPUQNSA-N 1 2 361.461 2.044 20 30 FEEDLO Cc1cc(N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)c(C#N)c[nH+]1 ZINC000425200607 559690732 /nfs/dbraw/zinc/69/07/32/559690732.db2.gz LNCKPMYMGXIJGV-UHFFFAOYSA-N 1 2 370.478 2.389 20 30 FEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H](C)[C@H]1C(=O)OC(C)(C)C ZINC000425527225 559707996 /nfs/dbraw/zinc/70/79/96/559707996.db2.gz ZIOPECPHYQFNBZ-VYDXJSESSA-N 1 2 351.491 2.437 20 30 FEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@H](C)[C@H]1C(=O)OC(C)(C)C ZINC000425527225 559707997 /nfs/dbraw/zinc/70/79/97/559707997.db2.gz ZIOPECPHYQFNBZ-VYDXJSESSA-N 1 2 351.491 2.437 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000425573353 559710325 /nfs/dbraw/zinc/71/03/25/559710325.db2.gz KHUKIKLXYZQAJO-IRXDYDNUSA-N 1 2 373.501 2.331 20 30 FEEDLO CCOc1ccc(C[NH+]2CCN(c3c(C#N)c(C)nn3C)CC2)cc1F ZINC000425993928 559727148 /nfs/dbraw/zinc/72/71/48/559727148.db2.gz NIKUINPBPOKHHR-UHFFFAOYSA-N 1 2 357.433 2.460 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@]2(CCO[C@H](C)C2)C1 ZINC000430275646 559816809 /nfs/dbraw/zinc/81/68/09/559816809.db2.gz BEWKOVKWBFAFDF-BQUOXIOCSA-N 1 2 351.491 2.088 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1C[C@@H](C)O[C@@]2(CCO[C@H](C)C2)C1 ZINC000430275646 559816810 /nfs/dbraw/zinc/81/68/10/559816810.db2.gz BEWKOVKWBFAFDF-BQUOXIOCSA-N 1 2 351.491 2.088 20 30 FEEDLO Cc1c[nH+]ccc1NS(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000432949856 559868469 /nfs/dbraw/zinc/86/84/69/559868469.db2.gz NBRZLNBZLKXJEV-UHFFFAOYSA-N 1 2 352.213 2.247 20 30 FEEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC000442055553 560042882 /nfs/dbraw/zinc/04/28/82/560042882.db2.gz LEYDKAUXZQCYDY-NSHDSACASA-N 1 2 372.347 2.299 20 30 FEEDLO C[C@H]1COCC[N@H+]1CCNC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC000442055553 560042883 /nfs/dbraw/zinc/04/28/83/560042883.db2.gz LEYDKAUXZQCYDY-NSHDSACASA-N 1 2 372.347 2.299 20 30 FEEDLO CCOc1ccccc1C[N@@H+]1CCN(S(=O)(=O)CCCC#N)[C@H](C)C1 ZINC000443087277 560070058 /nfs/dbraw/zinc/07/00/58/560070058.db2.gz QWCRZJXDDNHOMV-MRXNPFEDSA-N 1 2 365.499 2.225 20 30 FEEDLO CCOc1ccccc1C[N@H+]1CCN(S(=O)(=O)CCCC#N)[C@H](C)C1 ZINC000443087277 560070059 /nfs/dbraw/zinc/07/00/59/560070059.db2.gz QWCRZJXDDNHOMV-MRXNPFEDSA-N 1 2 365.499 2.225 20 30 FEEDLO CC(C)c1ncc2c(n1)CC[N@@H+](C[C@@H](O)COc1ccc(CC#N)cc1)C2 ZINC000527619525 562298011 /nfs/dbraw/zinc/29/80/11/562298011.db2.gz JMELWZYFMWJHLN-GOSISDBHSA-N 1 2 366.465 2.464 20 30 FEEDLO CC(C)c1ncc2c(n1)CC[N@H+](C[C@@H](O)COc1ccc(CC#N)cc1)C2 ZINC000527619525 562298012 /nfs/dbraw/zinc/29/80/12/562298012.db2.gz JMELWZYFMWJHLN-GOSISDBHSA-N 1 2 366.465 2.464 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ncc4c(F)cccn43)CC2)cc1 ZINC000527687157 562300243 /nfs/dbraw/zinc/30/02/43/562300243.db2.gz RQDFZGSJMNRJNU-UHFFFAOYSA-N 1 2 363.396 2.303 20 30 FEEDLO C=CCC1(C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CCCC1 ZINC000449207336 560220243 /nfs/dbraw/zinc/22/02/43/560220243.db2.gz NZRHZLOESSWFLR-UHFFFAOYSA-N 1 2 354.458 2.148 20 30 FEEDLO Cn1cc(I)c(C[NH2+]Cc2cc(C#N)cs2)n1 ZINC000449607239 560234709 /nfs/dbraw/zinc/23/47/09/560234709.db2.gz WYNSKDZFOBZXJI-UHFFFAOYSA-N 1 2 358.208 2.248 20 30 FEEDLO CN(C)c1nc(N2CCN(c3cc(C#N)ccn3)CC2)[nH+]c2ccccc21 ZINC000450245196 560255409 /nfs/dbraw/zinc/25/54/09/560255409.db2.gz RKRCFYOJNVPXNI-UHFFFAOYSA-N 1 2 359.437 2.289 20 30 FEEDLO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000450911304 560278139 /nfs/dbraw/zinc/27/81/39/560278139.db2.gz WQZDNRMRBRDJJT-CVEARBPZSA-N 1 2 359.426 2.123 20 30 FEEDLO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000450911304 560278140 /nfs/dbraw/zinc/27/81/40/560278140.db2.gz WQZDNRMRBRDJJT-CVEARBPZSA-N 1 2 359.426 2.123 20 30 FEEDLO COc1ccccc1[C@H](CNS(=O)(=O)CC(C)(C)CC#N)[NH+](C)C ZINC000450989318 560281412 /nfs/dbraw/zinc/28/14/12/560281412.db2.gz QNBOOPVSDAXRAJ-HNNXBMFYSA-N 1 2 353.488 2.157 20 30 FEEDLO N#CCc1ccc(S(=O)(=O)N2CC[NH+](CC3CC3)CC2)c(Cl)c1 ZINC000451096650 560286953 /nfs/dbraw/zinc/28/69/53/560286953.db2.gz XSDQJFFMXKLJEH-UHFFFAOYSA-N 1 2 353.875 2.122 20 30 FEEDLO N#CC1(NC(=O)C[N@@H+]2C[C@@H](c3ccccc3)[C@@](F)(CO)C2)CCCCC1 ZINC000451259006 560296602 /nfs/dbraw/zinc/29/66/02/560296602.db2.gz HIUCVVYNACKOMQ-PXNSSMCTSA-N 1 2 359.445 2.129 20 30 FEEDLO N#CC1(NC(=O)C[N@H+]2C[C@@H](c3ccccc3)[C@@](F)(CO)C2)CCCCC1 ZINC000451259006 560296603 /nfs/dbraw/zinc/29/66/03/560296603.db2.gz HIUCVVYNACKOMQ-PXNSSMCTSA-N 1 2 359.445 2.129 20 30 FEEDLO CCn1cc[nH+]c1CNC(=O)[C@@H]1CCCN(c2nc(C)ccc2C#N)C1 ZINC000452572747 560368085 /nfs/dbraw/zinc/36/80/85/560368085.db2.gz VAEOMXOBLDIWKT-MRXNPFEDSA-N 1 2 352.442 2.011 20 30 FEEDLO CC(C)(C)OC(=O)C[NH2+][C@@]1(C)CCN(C(=O)N[C@H]2CC[C@@H](CC#N)C2)C1 ZINC000455268289 560476184 /nfs/dbraw/zinc/47/61/84/560476184.db2.gz COPFCEDZKHPWQQ-DOXZYTNZSA-N 1 2 364.490 2.174 20 30 FEEDLO C=CC(C)(C)CNC(=O)N(C)C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000455379324 560480158 /nfs/dbraw/zinc/48/01/58/560480158.db2.gz DWPUTYLLPHMFAS-GJZGRUSLSA-N 1 2 351.470 2.186 20 30 FEEDLO CCn1ccnc1[C@H](C)NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000455443651 560482464 /nfs/dbraw/zinc/48/24/64/560482464.db2.gz DLZIPELMTQVCHO-INIZCTEOSA-N 1 2 366.469 2.363 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Nc1ccc([C@H]2CCOC2)cc1 ZINC000455662199 560490938 /nfs/dbraw/zinc/49/09/38/560490938.db2.gz JYRDSYUEBYVUFS-SFHVURJKSA-N 1 2 372.469 2.270 20 30 FEEDLO C=C[C@@H](C)NC(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000455953076 560501820 /nfs/dbraw/zinc/50/18/20/560501820.db2.gz JQKLHROAZRRTSW-SNVBAGLBSA-N 1 2 355.236 2.377 20 30 FEEDLO C=C(C)CNC(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000455955021 560501923 /nfs/dbraw/zinc/50/19/23/560501923.db2.gz NCFHYBYFDKJNKQ-UHFFFAOYSA-N 1 2 355.236 2.378 20 30 FEEDLO C=CCOc1ccc(Br)cc1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000458008181 560598781 /nfs/dbraw/zinc/59/87/81/560598781.db2.gz CHQCOYPPJSURNS-AWEZNQCLSA-N 1 2 355.232 2.283 20 30 FEEDLO C=CCOc1ccc(Br)cc1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000458008181 560598782 /nfs/dbraw/zinc/59/87/82/560598782.db2.gz CHQCOYPPJSURNS-AWEZNQCLSA-N 1 2 355.232 2.283 20 30 FEEDLO COC(=O)c1cccc2c1CC[N@@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C2 ZINC000459540858 560693166 /nfs/dbraw/zinc/69/31/66/560693166.db2.gz RZKLTAQDTZXGJZ-JLTOFOAXSA-N 1 2 357.454 2.274 20 30 FEEDLO COC(=O)c1cccc2c1CC[N@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C2 ZINC000459540858 560693168 /nfs/dbraw/zinc/69/31/68/560693168.db2.gz RZKLTAQDTZXGJZ-JLTOFOAXSA-N 1 2 357.454 2.274 20 30 FEEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@@H](C)c1ccn(C)n1 ZINC000459794383 560708674 /nfs/dbraw/zinc/70/86/74/560708674.db2.gz PNGFFTOMUARXOL-AWEZNQCLSA-N 1 2 372.473 2.036 20 30 FEEDLO C=C(C)CN(CC)C(=O)C(=O)N1CC[NH+](Cc2ccc(CC)s2)CC1 ZINC000459821073 560710886 /nfs/dbraw/zinc/71/08/86/560710886.db2.gz JVYJUZCKANWQFK-UHFFFAOYSA-N 1 2 363.527 2.379 20 30 FEEDLO C=C[C@H](CO)NC(=O)N[C@H]1CC[N@@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000460644671 560748093 /nfs/dbraw/zinc/74/80/93/560748093.db2.gz DWUANECVQUDONQ-KCXAZCMYSA-N 1 2 355.841 2.461 20 30 FEEDLO C=C[C@H](CO)NC(=O)N[C@H]1CC[N@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000460644671 560748094 /nfs/dbraw/zinc/74/80/94/560748094.db2.gz DWUANECVQUDONQ-KCXAZCMYSA-N 1 2 355.841 2.461 20 30 FEEDLO CC#CCCSc1nnc([C@@H](CC)[NH+](C)C)n1CCN1CCOCC1 ZINC000462378956 560808002 /nfs/dbraw/zinc/80/80/02/560808002.db2.gz FYYXSSOSLHIVFK-MRXNPFEDSA-N 1 2 365.547 2.129 20 30 FEEDLO N#Cc1ccc(F)c(CNC(=O)NCc2[nH+]ccn2CC(F)(F)F)c1 ZINC000465943173 560876566 /nfs/dbraw/zinc/87/65/66/560876566.db2.gz OQQRVBDRQPLIFP-UHFFFAOYSA-N 1 2 355.295 2.456 20 30 FEEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+](C)[C@H](C)C[S@@](C)=O)cc1 ZINC000467193551 560906042 /nfs/dbraw/zinc/90/60/42/560906042.db2.gz CCZQJUFHUDNMEH-SGANQWHYSA-N 1 2 365.499 2.031 20 30 FEEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+](C)[C@H](C)C[S@@](C)=O)cc1 ZINC000467193551 560906043 /nfs/dbraw/zinc/90/60/43/560906043.db2.gz CCZQJUFHUDNMEH-SGANQWHYSA-N 1 2 365.499 2.031 20 30 FEEDLO C=CC[N@@H+](Cc1nc(CC)cc(=O)[nH]1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000468268155 560925963 /nfs/dbraw/zinc/92/59/63/560925963.db2.gz OUYZONKGJMCEIS-AWEZNQCLSA-N 1 2 365.441 2.470 20 30 FEEDLO C=CC[N@H+](Cc1nc(CC)cc(=O)[nH]1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000468268155 560925964 /nfs/dbraw/zinc/92/59/64/560925964.db2.gz OUYZONKGJMCEIS-AWEZNQCLSA-N 1 2 365.441 2.470 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)C1CCC(C(F)(F)F)CC1 ZINC000468864820 560940770 /nfs/dbraw/zinc/94/07/70/560940770.db2.gz GXDMQCCTRBVQRF-UHFFFAOYSA-N 1 2 361.408 2.430 20 30 FEEDLO C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000471004248 560996272 /nfs/dbraw/zinc/99/62/72/560996272.db2.gz HIWAWVVWMVTTLW-YJBOKZPZSA-N 1 2 373.888 2.283 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1ccn(C2CCCCC2)n1 ZINC000471952820 561014921 /nfs/dbraw/zinc/01/49/21/561014921.db2.gz JAADIJHKZGFXQZ-UHFFFAOYSA-N 1 2 359.474 2.076 20 30 FEEDLO C[C@H](c1ccccc1Cl)[NH+]1CCN(C(=O)c2cnn(C)c2C#N)CC1 ZINC000474697498 561080698 /nfs/dbraw/zinc/08/06/98/561080698.db2.gz NRKWPEPFXJMZRK-CYBMUJFWSA-N 1 2 357.845 2.464 20 30 FEEDLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNc1nc(C(C)(C)C)ccc1C#N ZINC000528129626 562315293 /nfs/dbraw/zinc/31/52/93/562315293.db2.gz JUHPPXMKXFQPQP-FQEVSTJZSA-N 1 2 358.486 2.278 20 30 FEEDLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNc1nc(C(C)(C)C)ccc1C#N ZINC000528129626 562315294 /nfs/dbraw/zinc/31/52/94/562315294.db2.gz JUHPPXMKXFQPQP-FQEVSTJZSA-N 1 2 358.486 2.278 20 30 FEEDLO N#Cc1ccc(C2([NH2+]Cc3nnnn3Cc3ccccc3)CCOCC2)cc1 ZINC000528781180 562347268 /nfs/dbraw/zinc/34/72/68/562347268.db2.gz GTWGDGHYRPVGDW-UHFFFAOYSA-N 1 2 374.448 2.389 20 30 FEEDLO C[C@H]1CN(c2ccc(CNC(=O)Cc3cccc(C#N)c3)c[nH+]2)C[C@H](C)O1 ZINC000530908482 562428244 /nfs/dbraw/zinc/42/82/44/562428244.db2.gz VRNWADHCYBYXHV-HOTGVXAUSA-N 1 2 364.449 2.426 20 30 FEEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+](C)[C@@H]1CCNC1=O ZINC000533932670 562521657 /nfs/dbraw/zinc/52/16/57/562521657.db2.gz JFFKMAYWZGKZIM-BXUZGUMPSA-N 1 2 360.483 2.036 20 30 FEEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+](C)[C@@H]1CCNC1=O ZINC000533932670 562521658 /nfs/dbraw/zinc/52/16/58/562521658.db2.gz JFFKMAYWZGKZIM-BXUZGUMPSA-N 1 2 360.483 2.036 20 30 FEEDLO COC(=O)c1cccc(C[NH+]2CCN(c3ccccc3O)CC2)c1C#N ZINC000535207473 562553082 /nfs/dbraw/zinc/55/30/82/562553082.db2.gz SDTXFOHLCYWDEP-UHFFFAOYSA-N 1 2 351.406 2.373 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CCN2CCC(Nc3cccc[nH+]3)CC2)cc1 ZINC000535576620 562561812 /nfs/dbraw/zinc/56/18/12/562561812.db2.gz RNDCUEFECOYMBT-UHFFFAOYSA-N 1 2 370.478 2.303 20 30 FEEDLO COc1ccc(C[NH+]2CCN(C(=O)C3CC3)CC2)cc1OCCCC#N ZINC000535784647 562567978 /nfs/dbraw/zinc/56/79/78/562567978.db2.gz RHHCNDPHRXCMGW-UHFFFAOYSA-N 1 2 357.454 2.432 20 30 FEEDLO CCN1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)CC1=O ZINC000541703335 562618242 /nfs/dbraw/zinc/61/82/42/562618242.db2.gz FMVBNJDODJHIDE-ZDUSSCGKSA-N 1 2 374.510 2.237 20 30 FEEDLO CCN1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)CC1=O ZINC000541703335 562618243 /nfs/dbraw/zinc/61/82/43/562618243.db2.gz FMVBNJDODJHIDE-ZDUSSCGKSA-N 1 2 374.510 2.237 20 30 FEEDLO COc1ccc(C[N@@H+]2CC[C@H]2C(=O)Nc2cc(C)nn2CCC#N)cc1 ZINC000602080132 567918925 /nfs/dbraw/zinc/91/89/25/567918925.db2.gz WHSSEDZITNSNIP-KRWDZBQOSA-N 1 2 353.426 2.327 20 30 FEEDLO COc1ccc(C[N@H+]2CC[C@H]2C(=O)Nc2cc(C)nn2CCC#N)cc1 ZINC000602080132 567918927 /nfs/dbraw/zinc/91/89/27/567918927.db2.gz WHSSEDZITNSNIP-KRWDZBQOSA-N 1 2 353.426 2.327 20 30 FEEDLO C[C@H]1C[NH+](CC(=O)N(C)Cc2ccc(Cl)s2)C[C@H](C)N1CC#N ZINC000602857747 568002713 /nfs/dbraw/zinc/00/27/13/568002713.db2.gz UPQOEURBISFRBZ-STQMWFEESA-N 1 2 354.907 2.278 20 30 FEEDLO CCCn1c(C[NH2+][C@H](C)CC#N)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000602864533 568008034 /nfs/dbraw/zinc/00/80/34/568008034.db2.gz RUVDGJWKSJAUMT-CYBMUJFWSA-N 1 2 363.487 2.088 20 30 FEEDLO CC(C)c1ccc(OCCNC(=O)C[NH+]2C[C@@H](C)N(CC#N)[C@H](C)C2)cc1 ZINC000602865559 568008119 /nfs/dbraw/zinc/00/81/19/568008119.db2.gz TZGYIQKRFLMLOM-QZTJIDSGSA-N 1 2 372.513 2.223 20 30 FEEDLO C[N@H+](CC(=O)NCC1(c2ccccc2)CCOCC1)[C@@H]1CCC[C@H]1C#N ZINC000602975426 568035844 /nfs/dbraw/zinc/03/58/44/568035844.db2.gz ASVPGJIRQZHVMQ-PKOBYXMFSA-N 1 2 355.482 2.475 20 30 FEEDLO C[N@@H+](CC(=O)NCC1(c2ccccc2)CCOCC1)[C@@H]1CCC[C@H]1C#N ZINC000602975426 568035845 /nfs/dbraw/zinc/03/58/45/568035845.db2.gz ASVPGJIRQZHVMQ-PKOBYXMFSA-N 1 2 355.482 2.475 20 30 FEEDLO CN(CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)[C@H]1CCC[C@@H]1C#N ZINC000602976198 568036028 /nfs/dbraw/zinc/03/60/28/568036028.db2.gz MMUAGNQESPQHJI-MJGOQNOKSA-N 1 2 356.470 2.081 20 30 FEEDLO C[N@H+](CC(=O)NCc1ccccc1Cn1cccn1)[C@H]1CCC[C@H]1C#N ZINC000602980382 568037012 /nfs/dbraw/zinc/03/70/12/568037012.db2.gz PMKHXNZWQAFFMW-LPHOPBHVSA-N 1 2 351.454 2.172 20 30 FEEDLO C[N@@H+](CC(=O)NCc1ccccc1Cn1cccn1)[C@H]1CCC[C@H]1C#N ZINC000602980382 568037013 /nfs/dbraw/zinc/03/70/13/568037013.db2.gz PMKHXNZWQAFFMW-LPHOPBHVSA-N 1 2 351.454 2.172 20 30 FEEDLO N#CCC1(C[NH+]2CCN(CC(=O)N3CCCc4ccccc43)CC2)CC1 ZINC000602791265 568041364 /nfs/dbraw/zinc/04/13/64/568041364.db2.gz CMFJSIBJORXNLA-UHFFFAOYSA-N 1 2 352.482 2.277 20 30 FEEDLO N#CC1(NC(=O)Cn2cc(C[NH2+]Cc3ccc(F)cc3)nn2)CCCCC1 ZINC000603173324 568071268 /nfs/dbraw/zinc/07/12/68/568071268.db2.gz BHLDEJCSJDPBHQ-UHFFFAOYSA-N 1 2 370.432 2.050 20 30 FEEDLO Cn1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CNc2ncc3c(c2C#N)CCC3)cn1 ZINC000568742601 568146168 /nfs/dbraw/zinc/14/61/68/568146168.db2.gz NMNMJKKZQQVPLJ-HOTGVXAUSA-N 1 2 354.433 2.200 20 30 FEEDLO Cn1cc(C[N@H+]2C[C@@H](F)C[C@H]2CNc2ncc3c(c2C#N)CCC3)cn1 ZINC000568742601 568146169 /nfs/dbraw/zinc/14/61/69/568146169.db2.gz NMNMJKKZQQVPLJ-HOTGVXAUSA-N 1 2 354.433 2.200 20 30 FEEDLO Cn1cc[nH+]c1[C@@H]1CN(C(=O)NC2C3CC4CC(C3)CC2C4)CCN1C ZINC000330335397 568258859 /nfs/dbraw/zinc/25/88/59/568258859.db2.gz RMDNGRZEEHTKPR-NFSPANSCSA-N 1 2 357.502 2.447 20 30 FEEDLO NC(=[NH+]OCCCOc1ccc(-c2nn[nH]n2)cc1)c1ccc(F)cc1 ZINC000737732326 598698639 /nfs/dbraw/zinc/69/86/39/598698639.db2.gz YNKQAZUVUYHAAV-UHFFFAOYSA-N 1 2 356.361 2.112 20 30 FEEDLO C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)CCN1Cc1cccc(-c2nn[nH]n2)c1 ZINC000822000720 606178512 /nfs/dbraw/zinc/17/85/12/606178512.db2.gz VBXOTVWFUNJBRK-MRXNPFEDSA-N 1 2 373.464 2.445 20 30 FEEDLO C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)CCN1Cc1cccc(-c2nn[nH]n2)c1 ZINC000822000720 606178513 /nfs/dbraw/zinc/17/85/13/606178513.db2.gz VBXOTVWFUNJBRK-MRXNPFEDSA-N 1 2 373.464 2.445 20 30 FEEDLO C=CCN(C(=O)[C@H](CC)[N@H+](C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000559267699 674534664 /nfs/dbraw/zinc/53/46/64/674534664.db2.gz RIYKBYDPFUATRN-ROUUACIJSA-N 1 2 364.511 2.099 20 30 FEEDLO C=CCN(C(=O)[C@H](CC)[N@@H+](C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000559267699 674534665 /nfs/dbraw/zinc/53/46/65/674534665.db2.gz RIYKBYDPFUATRN-ROUUACIJSA-N 1 2 364.511 2.099 20 30 FEEDLO C[C@H]1C[N@H+](Cc2cn(CCC#N)nc2-c2ccncc2)CC[S@@](=O)C1 ZINC000562427389 674754827 /nfs/dbraw/zinc/75/48/27/674754827.db2.gz BJQCEOAEJBIXEZ-ODCWNRFASA-N 1 2 357.483 2.059 20 30 FEEDLO C[C@H]1C[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)CC[S@@](=O)C1 ZINC000562427389 674754830 /nfs/dbraw/zinc/75/48/30/674754830.db2.gz BJQCEOAEJBIXEZ-ODCWNRFASA-N 1 2 357.483 2.059 20 30 FEEDLO C[C@@H]1CC[N@H+](Cc2cn(CCC#N)nc2-c2ccncc2)CC[S@@]1=O ZINC000562427529 674755005 /nfs/dbraw/zinc/75/50/05/674755005.db2.gz ZOXMLUNWKQTXLF-BZQUYTCOSA-N 1 2 357.483 2.202 20 30 FEEDLO C[C@@H]1CC[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)CC[S@@]1=O ZINC000562427529 674755006 /nfs/dbraw/zinc/75/50/06/674755006.db2.gz ZOXMLUNWKQTXLF-BZQUYTCOSA-N 1 2 357.483 2.202 20 30 FEEDLO N#Cc1csc(C[NH2+]Cc2cccc(C(=O)NC[C@@H]3CCCO3)c2)n1 ZINC000571604421 670899425 /nfs/dbraw/zinc/89/94/25/670899425.db2.gz ACLJRLCNNLLUIW-INIZCTEOSA-N 1 2 356.451 2.213 20 30 FEEDLO N#Cc1ccc(NC(=O)C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1Cl ZINC000609131479 675911073 /nfs/dbraw/zinc/91/10/73/675911073.db2.gz QNDFFKUKSPXSPO-CQSZACIVSA-N 1 2 357.801 2.210 20 30 FEEDLO C[C@H]1CCN(S(=O)(=O)Cc2ccc(CC#N)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000577628578 671609323 /nfs/dbraw/zinc/60/93/23/671609323.db2.gz MLAAAAKUWNLYNM-YJBOKZPZSA-N 1 2 358.467 2.362 20 30 FEEDLO C#CCSCCNC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000130521205 672076624 /nfs/dbraw/zinc/07/66/24/672076624.db2.gz OFNDNQQIEUKZDX-UHFFFAOYSA-N 1 2 356.451 2.008 20 30 FEEDLO Cc1ncsc1-c1nc(CO[NH+]=C(N)c2ccc3c(c2)CCO3)no1 ZINC000158227101 672267172 /nfs/dbraw/zinc/26/71/72/672267172.db2.gz CCCCQPWZMLJKKO-UHFFFAOYSA-N 1 2 357.395 2.274 20 30 FEEDLO Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+]Cc1nc(C#N)cs1 ZINC000589319241 672521728 /nfs/dbraw/zinc/52/17/28/672521728.db2.gz PIQGZLROVRRFTR-UHFFFAOYSA-N 1 2 370.887 2.045 20 30 FEEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CCCC[C@@H]1C(=O)N1CCCC1 ZINC000329249352 673073909 /nfs/dbraw/zinc/07/39/09/673073909.db2.gz SYLIZRNLEBAYFS-ZACQAIPSSA-N 1 2 351.491 2.092 20 30 FEEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CCCC[C@@H]1C(=O)N1CCCC1 ZINC000329249352 673073911 /nfs/dbraw/zinc/07/39/11/673073911.db2.gz SYLIZRNLEBAYFS-ZACQAIPSSA-N 1 2 351.491 2.092 20 30 FEEDLO C#CC[C@H](CO)[NH2+]Cc1cc(Br)c(O)c(Br)c1 ZINC000717775942 673077029 /nfs/dbraw/zinc/07/70/29/673077029.db2.gz KLVINQRTVBTDQA-SECBINFHSA-N 1 2 363.049 2.391 20 30 FEEDLO C=CCn1cc(C[NH2+]Cc2cc3c(c(Br)c2)OCO3)nn1 ZINC000424166361 673203588 /nfs/dbraw/zinc/20/35/88/673203588.db2.gz ASBWSRLPSLNRIY-UHFFFAOYSA-N 1 2 351.204 2.245 20 30 FEEDLO Cn1cc[nH+]c1[C@@H]1CCCN(S(=O)(=O)Cc2ccc(F)cc2C#N)C1 ZINC000451469794 673237276 /nfs/dbraw/zinc/23/72/76/673237276.db2.gz MOFWHOGRAVLSNG-CYBMUJFWSA-N 1 2 362.430 2.140 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)NC[C@H]2CC[N@@H+]2Cc2ccccc2)c(F)c1 ZINC000595392000 673240536 /nfs/dbraw/zinc/24/05/36/673240536.db2.gz DVIJTXXDJHXIMG-MRXNPFEDSA-N 1 2 359.426 2.250 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)NC[C@H]2CC[N@H+]2Cc2ccccc2)c(F)c1 ZINC000595392000 673240538 /nfs/dbraw/zinc/24/05/38/673240538.db2.gz DVIJTXXDJHXIMG-MRXNPFEDSA-N 1 2 359.426 2.250 20 30 FEEDLO Cc1ccc(C#N)cc1S(=O)(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000595394061 673241208 /nfs/dbraw/zinc/24/12/08/673241208.db2.gz CENLVNCQHVNOEH-SFHVURJKSA-N 1 2 355.463 2.420 20 30 FEEDLO Cc1ccc(C#N)cc1S(=O)(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000595394061 673241209 /nfs/dbraw/zinc/24/12/09/673241209.db2.gz CENLVNCQHVNOEH-SFHVURJKSA-N 1 2 355.463 2.420 20 30 FEEDLO CCOC(=O)c1sc([C@@H](C)[NH2+]CC(=O)N(CC)C[C@@H](C)C#N)nc1C ZINC000542610154 673592979 /nfs/dbraw/zinc/59/29/79/673592979.db2.gz CENWRRHWYNJEOY-WCQYABFASA-N 1 2 366.487 2.287 20 30 FEEDLO COC(=O)[C@@H](NCC[N@@H+]1CCc2sccc2C1)c1ccc(C#N)cc1 ZINC000739991318 673641469 /nfs/dbraw/zinc/64/14/69/673641469.db2.gz WHTDQSNQFLCOIU-SFHVURJKSA-N 1 2 355.463 2.482 20 30 FEEDLO COC(=O)[C@@H](NCC[N@H+]1CCc2sccc2C1)c1ccc(C#N)cc1 ZINC000739991318 673641471 /nfs/dbraw/zinc/64/14/71/673641471.db2.gz WHTDQSNQFLCOIU-SFHVURJKSA-N 1 2 355.463 2.482 20 30 FEEDLO CC[C@H](C)[C@H]([NH2+]C[C@@H](O)CC1(C#N)CCOCC1)C(=O)OC(C)(C)C ZINC000599354629 673663149 /nfs/dbraw/zinc/66/31/49/673663149.db2.gz YHBFJEGTBBWKDX-JYJNAYRXSA-N 1 2 354.491 2.404 20 30 FEEDLO COC(=O)c1cn([C@@H]2CCC[N@H+](CC#Cc3ccccc3Cl)C2)nn1 ZINC000547295129 673840704 /nfs/dbraw/zinc/84/07/04/673840704.db2.gz WEKKHRIKEOXUGD-OAHLLOKOSA-N 1 2 358.829 2.407 20 30 FEEDLO COC(=O)c1cn([C@@H]2CCC[N@@H+](CC#Cc3ccccc3Cl)C2)nn1 ZINC000547295129 673840707 /nfs/dbraw/zinc/84/07/07/673840707.db2.gz WEKKHRIKEOXUGD-OAHLLOKOSA-N 1 2 358.829 2.407 20 30 FEEDLO N#Cc1cccc(CC(=O)NCc2cc[nH+]c(N3CCSCC3)c2)c1 ZINC000601850291 673898670 /nfs/dbraw/zinc/89/86/70/673898670.db2.gz CNDSSTQDTVDZPQ-UHFFFAOYSA-N 1 2 352.463 2.365 20 30 FEEDLO C#CCn1ccc(CN(CC)C(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)n1 ZINC000822530739 675490734 /nfs/dbraw/zinc/49/07/34/675490734.db2.gz ASWUJTPFEUVUSH-AWEZNQCLSA-N 1 2 353.348 2.255 20 30 FEEDLO C=CCCOCC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000677978552 679707447 /nfs/dbraw/zinc/70/74/47/679707447.db2.gz HYBGFNWBLBBVDY-FUHWJXTLSA-N 1 2 352.862 2.421 20 30 FEEDLO C=CCCOCC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000677978552 679707450 /nfs/dbraw/zinc/70/74/50/679707450.db2.gz HYBGFNWBLBBVDY-FUHWJXTLSA-N 1 2 352.862 2.421 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+]2[C@H](C)CN(C(=O)OC(C)(C)C)[C@@H](C)[C@H]2C)C1=O ZINC000830182393 677029179 /nfs/dbraw/zinc/02/91/79/677029179.db2.gz ADTZZCBATCUBHG-QXSJWSMHSA-N 1 2 351.491 2.492 20 30 FEEDLO C=CCN1CC[C@H]([N@H+]2[C@H](C)CN(C(=O)OC(C)(C)C)[C@@H](C)[C@H]2C)C1=O ZINC000830182393 677029181 /nfs/dbraw/zinc/02/91/81/677029181.db2.gz ADTZZCBATCUBHG-QXSJWSMHSA-N 1 2 351.491 2.492 20 30 FEEDLO CC#CC[NH2+]Cc1cn([C@H](C)c2nc3sc(C)c(C)c3c(N)n2)nn1 ZINC000640900495 677191373 /nfs/dbraw/zinc/19/13/73/677191373.db2.gz PZJPEQMBCKZGTB-LLVKDONJSA-N 1 2 355.471 2.204 20 30 FEEDLO CC#CC[NH2+]Cc1cn([C@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2)nn1 ZINC000640916733 677191648 /nfs/dbraw/zinc/19/16/48/677191648.db2.gz CIZILDBFWQEQTK-ZIAGYGMSSA-N 1 2 359.861 2.483 20 30 FEEDLO CC#CC[NH2+]Cc1cn(C[C@H](O)COc2cc(Cl)ccc2Cl)nn1 ZINC000641203086 677196669 /nfs/dbraw/zinc/19/66/69/677196669.db2.gz QJHLIPXQGWARDI-AWEZNQCLSA-N 1 2 369.252 2.138 20 30 FEEDLO C=CCCn1cc(C[NH2+]CCS(=O)(=O)c2ccc(Cl)cc2)nn1 ZINC000657332140 677995307 /nfs/dbraw/zinc/99/53/07/677995307.db2.gz CCQUXJWEUFJUSG-UHFFFAOYSA-N 1 2 354.863 2.071 20 30 FEEDLO C=CC[C@H]1CCC[N@H+](CC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000661377801 678472476 /nfs/dbraw/zinc/47/24/76/678472476.db2.gz VZIGKCJLAZTHIB-FUHWJXTLSA-N 1 2 368.543 2.233 20 30 FEEDLO C=CC[C@H]1CCC[N@@H+](CC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000661377801 678472483 /nfs/dbraw/zinc/47/24/83/678472483.db2.gz VZIGKCJLAZTHIB-FUHWJXTLSA-N 1 2 368.543 2.233 20 30 FEEDLO C=CCN1CCN(C[NH+]2CCC(NC(=O)c3ccc(C)s3)CC2)C1=O ZINC000839981177 680791363 /nfs/dbraw/zinc/79/13/63/680791363.db2.gz GTSNJSMGVNDRMR-UHFFFAOYSA-N 1 2 362.499 2.132 20 30 FEEDLO C#CCC[NH+]1CCC(NS(=O)(=O)c2c(Cl)ccc(F)c2F)CC1 ZINC000840952040 680856615 /nfs/dbraw/zinc/85/66/15/680856615.db2.gz PVBVDDPKFGOJEI-UHFFFAOYSA-N 1 2 362.829 2.384 20 30 FEEDLO C=C(Cl)C(C)(C)C(=O)N1CC[C@@H]1CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000977913859 680166291 /nfs/dbraw/zinc/16/62/91/680166291.db2.gz ABIDIZHIZCHRPB-MGPQQGTHSA-N 1 2 364.877 2.351 20 30 FEEDLO C=C(Cl)C(C)(C)C(=O)N1CC[C@@H]1CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000977913859 680166293 /nfs/dbraw/zinc/16/62/93/680166293.db2.gz ABIDIZHIZCHRPB-MGPQQGTHSA-N 1 2 364.877 2.351 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]([N@H+](C)CC(=C)Br)C1 ZINC001027584494 680360152 /nfs/dbraw/zinc/36/01/52/680360152.db2.gz NHKXYAWSYYCCFB-ZNMIVQPWSA-N 1 2 357.292 2.409 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]([N@@H+](C)CC(=C)Br)C1 ZINC001027584494 680360157 /nfs/dbraw/zinc/36/01/57/680360157.db2.gz NHKXYAWSYYCCFB-ZNMIVQPWSA-N 1 2 357.292 2.409 20 30 FEEDLO C=CCC[C@H]1CCCN1C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000912239298 685336871 /nfs/dbraw/zinc/33/68/71/685336871.db2.gz PLCMUIJUUKFEIZ-WMZOPIPTSA-N 1 2 353.532 2.335 20 30 FEEDLO N#Cc1cccn(C[N@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)c1=O ZINC000758246881 680565251 /nfs/dbraw/zinc/56/52/51/680565251.db2.gz GGGDYTIEPOMISF-ZDUSSCGKSA-N 1 2 351.332 2.230 20 30 FEEDLO N#Cc1cccn(C[N@@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)c1=O ZINC000758246881 680565253 /nfs/dbraw/zinc/56/52/53/680565253.db2.gz GGGDYTIEPOMISF-ZDUSSCGKSA-N 1 2 351.332 2.230 20 30 FEEDLO N#Cc1sc(N[C@@H]2CCCC[C@H]2NC(=O)Cc2c[nH]c[nH+]2)nc1Cl ZINC001045781795 680640338 /nfs/dbraw/zinc/64/03/38/680640338.db2.gz HTGDISIONRQRAW-GHMZBOCLSA-N 1 2 364.862 2.473 20 30 FEEDLO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCSC[C@@H]2CCO)cc1C ZINC000759727582 680665581 /nfs/dbraw/zinc/66/55/81/680665581.db2.gz PCIBTINRRXBNPV-SFHVURJKSA-N 1 2 361.511 2.350 20 30 FEEDLO Cc1ccc(N(CCC#N)C(=O)C[N@H+]2CCSC[C@@H]2CCO)cc1C ZINC000759727582 680665583 /nfs/dbraw/zinc/66/55/83/680665583.db2.gz PCIBTINRRXBNPV-SFHVURJKSA-N 1 2 361.511 2.350 20 30 FEEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000769975974 681002105 /nfs/dbraw/zinc/00/21/05/681002105.db2.gz RIEOLBOOUVKKRF-LLVKDONJSA-N 1 2 351.332 2.178 20 30 FEEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000769975974 681002107 /nfs/dbraw/zinc/00/21/07/681002107.db2.gz RIEOLBOOUVKKRF-LLVKDONJSA-N 1 2 351.332 2.178 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2Cc1cnns1 ZINC001049779782 681038621 /nfs/dbraw/zinc/03/86/21/681038621.db2.gz WVPDQFATAADDSP-HZMVEIRTSA-N 1 2 362.499 2.085 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2Cc1cnns1 ZINC001049779782 681038624 /nfs/dbraw/zinc/03/86/24/681038624.db2.gz WVPDQFATAADDSP-HZMVEIRTSA-N 1 2 362.499 2.085 20 30 FEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F ZINC001051034079 681061067 /nfs/dbraw/zinc/06/10/67/681061067.db2.gz NCACSLWYLIEADZ-HYVNUMGLSA-N 1 2 350.409 2.461 20 30 FEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F ZINC001051034079 681061068 /nfs/dbraw/zinc/06/10/68/681061068.db2.gz NCACSLWYLIEADZ-HYVNUMGLSA-N 1 2 350.409 2.461 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC2(CC1)C[N@H+](C[C@@H](F)CC)CCO2 ZINC000949477189 681643166 /nfs/dbraw/zinc/64/31/66/681643166.db2.gz RVKBUXUFPBBFDF-BBWFWOEESA-N 1 2 354.466 2.019 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC2(CC1)C[N@@H+](C[C@@H](F)CC)CCO2 ZINC000949477189 681643171 /nfs/dbraw/zinc/64/31/71/681643171.db2.gz RVKBUXUFPBBFDF-BBWFWOEESA-N 1 2 354.466 2.019 20 30 FEEDLO C=CCSc1ccccc1NC(=O)C[NH+]1CCC2(COC(=O)N2)CC1 ZINC000784453539 682228133 /nfs/dbraw/zinc/22/81/33/682228133.db2.gz HENAYQNEEMFWOS-UHFFFAOYSA-N 1 2 361.467 2.478 20 30 FEEDLO Cc1nc(N2CCN(c3cc(Br)cnc3C#N)CC2)cc[nH+]1 ZINC000853479085 682420564 /nfs/dbraw/zinc/42/05/64/682420564.db2.gz TWTJAWGNBZRLJN-UHFFFAOYSA-N 1 2 359.231 2.141 20 30 FEEDLO C#CCC[NH+]1CCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000859003206 683024843 /nfs/dbraw/zinc/02/48/43/683024843.db2.gz IJMXBODFKXSLCG-UHFFFAOYSA-N 1 2 366.215 2.138 20 30 FEEDLO CC[C@@H]([NH2+]C[C@H]1CCCCN1S(C)(=O)=O)c1cccc(C#N)c1O ZINC000926415633 683122828 /nfs/dbraw/zinc/12/28/28/683122828.db2.gz ULYJLKICUJENNW-GDBMZVCRSA-N 1 2 351.472 2.119 20 30 FEEDLO CN1CC[NH+](Cc2cccc(NC(=O)C3(C#N)CCSCC3)c2)CC1 ZINC000930628708 683761591 /nfs/dbraw/zinc/76/15/91/683761591.db2.gz ZDCMLINFAWTRJB-UHFFFAOYSA-N 1 2 358.511 2.409 20 30 FEEDLO N#C[C@H](NC(=O)/C=C\C[NH+]1CCOCC1)c1ccc(Br)cc1 ZINC000864768816 683889185 /nfs/dbraw/zinc/88/91/85/683889185.db2.gz LUHPLGJKJQTHLG-OYADATRGSA-N 1 2 364.243 2.018 20 30 FEEDLO C[NH+]1CCC(C#N)(NC(=O)c2cc(Br)cc(F)c2O)CC1 ZINC000865198313 683949404 /nfs/dbraw/zinc/94/94/04/683949404.db2.gz JJZIQIGROLLDIP-UHFFFAOYSA-N 1 2 356.195 2.012 20 30 FEEDLO NS(=O)(=O)C[C@H]1CCCC[N@@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000931231765 684246168 /nfs/dbraw/zinc/24/61/68/684246168.db2.gz JWEMEIFOQWFATR-OAHLLOKOSA-N 1 2 360.401 2.200 20 30 FEEDLO NS(=O)(=O)C[C@H]1CCCC[N@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000931231765 684246177 /nfs/dbraw/zinc/24/61/77/684246177.db2.gz JWEMEIFOQWFATR-OAHLLOKOSA-N 1 2 360.401 2.200 20 30 FEEDLO COc1cccc([C@@H]2CN(C(=O)c3ncc(C#N)cc3Cl)CC[NH2+]2)c1 ZINC000870149360 684687896 /nfs/dbraw/zinc/68/78/96/684687896.db2.gz AJJHOIGCNBJXAF-INIZCTEOSA-N 1 2 356.813 2.402 20 30 FEEDLO C=CC[N@@H+](CC12CC(C1)CN2C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000876630401 686232652 /nfs/dbraw/zinc/23/26/52/686232652.db2.gz YQHWDKGKKCGGOR-SWKXRBFHSA-N 1 2 370.515 2.061 20 30 FEEDLO C=CC[N@H+](CC12CC(C1)CN2C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000876630401 686232656 /nfs/dbraw/zinc/23/26/56/686232656.db2.gz YQHWDKGKKCGGOR-SWKXRBFHSA-N 1 2 370.515 2.061 20 30 FEEDLO C=CCOc1ccc(C[N@@H+]2CC[C@H]3CS(=O)(=O)C[C@@H]3C2)cc1OC ZINC000877787010 686457832 /nfs/dbraw/zinc/45/78/32/686457832.db2.gz DIBGVASNYQCPBA-HOTGVXAUSA-N 1 2 351.468 2.127 20 30 FEEDLO C=CCOc1ccc(C[N@H+]2CC[C@H]3CS(=O)(=O)C[C@@H]3C2)cc1OC ZINC000877787010 686457834 /nfs/dbraw/zinc/45/78/34/686457834.db2.gz DIBGVASNYQCPBA-HOTGVXAUSA-N 1 2 351.468 2.127 20 30 FEEDLO C=C(Br)C[N@@H+]1CC[C@@]2(C1)CN(Cc1ccccc1)C(=O)CO2 ZINC000880496230 687054246 /nfs/dbraw/zinc/05/42/46/687054246.db2.gz UBNRZDQBFGCVLR-QGZVFWFLSA-N 1 2 365.271 2.399 20 30 FEEDLO C=C(Br)C[N@H+]1CC[C@@]2(C1)CN(Cc1ccccc1)C(=O)CO2 ZINC000880496230 687054250 /nfs/dbraw/zinc/05/42/50/687054250.db2.gz UBNRZDQBFGCVLR-QGZVFWFLSA-N 1 2 365.271 2.399 20 30 FEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1ccc(Br)cc1OCC ZINC000884163959 687805209 /nfs/dbraw/zinc/80/52/09/687805209.db2.gz TXWKOZFKXODNPW-NSHDSACASA-N 1 2 371.231 2.233 20 30 FEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000884177092 687808609 /nfs/dbraw/zinc/80/86/09/687808609.db2.gz ACLZAMSDHAUJPH-GXTWGEPZSA-N 1 2 359.451 2.406 20 30 FEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000884389368 687861905 /nfs/dbraw/zinc/86/19/05/687861905.db2.gz WKKQLDIIJYVOBN-ZDUSSCGKSA-N 1 2 356.344 2.257 20 30 FEEDLO Cc1nn(C)c(C[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1Cl ZINC000894006418 689448251 /nfs/dbraw/zinc/44/82/51/689448251.db2.gz UAHOKTAJUKHNRG-HNNXBMFYSA-N 1 2 357.845 2.144 20 30 FEEDLO C[C@@]1(C#N)CN(C(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)CCO1 ZINC000895067021 689652574 /nfs/dbraw/zinc/65/25/74/689652574.db2.gz SJNFKAGQJMVRLF-QGZVFWFLSA-N 1 2 359.817 2.350 20 30 FEEDLO CC#CC[NH2+]Cc1cn(Cc2cc([N+](=O)[O-])ccc2Br)nn1 ZINC000900595789 690536266 /nfs/dbraw/zinc/53/62/66/690536266.db2.gz PDLSYTXQUWXXRT-UHFFFAOYSA-N 1 2 364.203 2.110 20 30 FEEDLO Cn1c[nH+]cc1/C=C\C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000901427135 690646082 /nfs/dbraw/zinc/64/60/82/690646082.db2.gz BIXAWKJOEBCKKO-YFHOEESVSA-N 1 2 359.451 2.491 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)nc1 ZINC000906804932 691319012 /nfs/dbraw/zinc/31/90/12/691319012.db2.gz VRWWHJCZLOHSRR-OAHLLOKOSA-N 1 2 360.439 2.052 20 30 FEEDLO N#Cc1sc2ccccc2c1S(=O)(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000907136092 691404512 /nfs/dbraw/zinc/40/45/12/691404512.db2.gz HVZZRPDUQVGEKT-LLVKDONJSA-N 1 2 358.448 2.263 20 30 FEEDLO N#Cc1nc(Cl)ccc1C(F)(F)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001165038811 721906342 /nfs/dbraw/zinc/90/63/42/721906342.db2.gz OZMYECFLQGNLQI-LBPRGKRZSA-N 1 2 356.804 2.453 20 30 FEEDLO N#Cc1c(F)cccc1-n1ccc(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)n1 ZINC000512119243 808280470 /nfs/dbraw/zinc/28/04/70/808280470.db2.gz RVVZDAWCBRONRI-GFCCVEGCSA-N 1 2 350.357 2.281 20 30 FEEDLO CC(C)(C#N)c1ccc(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)cc1 ZINC000475780805 832363789 /nfs/dbraw/zinc/36/37/89/832363789.db2.gz XFONJCOWOSVJJR-UHFFFAOYSA-N 1 2 367.453 2.269 20 30 FEEDLO N#CC[C@@H](CC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)c1ccccc1 ZINC000475780378 832366830 /nfs/dbraw/zinc/36/68/30/832366830.db2.gz WIHUSLLZYZJFDL-SFHVURJKSA-N 1 2 367.453 2.241 20 30 FEEDLO C=CCNC(=O)C[NH+]1CCN(Cc2csc(-c3cccs3)n2)CC1 ZINC000023265257 539711280 /nfs/dbraw/zinc/71/12/80/539711280.db2.gz VLRDVIMDIBRATQ-UHFFFAOYSA-N 1 2 362.524 2.291 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(S(=O)(=O)Cc3ccc(F)cc3)CC2)cc1 ZINC000025368165 539758066 /nfs/dbraw/zinc/75/80/66/539758066.db2.gz INQMEUMJVQCXNH-UHFFFAOYSA-N 1 2 373.453 2.345 20 30 FEEDLO C=CCN(CC=C)C(=O)CNc1ccc([NH+]2CCCCC2)cc1C(N)=O ZINC000025617418 539764807 /nfs/dbraw/zinc/76/48/07/539764807.db2.gz RFPCMJRYEWZJSD-UHFFFAOYSA-N 1 2 356.470 2.388 20 30 FEEDLO CCC(CC)C(=O)N1CC[NH+](C[C@@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000028922114 539839895 /nfs/dbraw/zinc/83/98/95/539839895.db2.gz OBTQLOFDLQDYAL-LJQANCHMSA-N 1 2 373.497 2.073 20 30 FEEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN(CCOc2ccccc2)CC1 ZINC000042384992 540061857 /nfs/dbraw/zinc/06/18/57/540061857.db2.gz RQMAPWFWZHRNHG-IBGZPJMESA-N 1 2 359.514 2.496 20 30 FEEDLO C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000043932143 540115435 /nfs/dbraw/zinc/11/54/35/540115435.db2.gz KYRSNEWVOYQYHE-HNNXBMFYSA-N 1 2 372.469 2.116 20 30 FEEDLO N#CC1(NC(=O)C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)CCCCC1 ZINC000047743610 540327106 /nfs/dbraw/zinc/32/71/06/540327106.db2.gz VGGMAHUEVKXJQH-UHFFFAOYSA-N 1 2 371.441 2.059 20 30 FEEDLO N#Cc1cccc(CNC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC000047826986 540329602 /nfs/dbraw/zinc/32/96/02/540329602.db2.gz RZVPWYDRMAFVHI-HXUWFJFHSA-N 1 2 364.449 2.258 20 30 FEEDLO N#Cc1cccc(CNC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000047826986 540329604 /nfs/dbraw/zinc/32/96/04/540329604.db2.gz RZVPWYDRMAFVHI-HXUWFJFHSA-N 1 2 364.449 2.258 20 30 FEEDLO C[C@H]1CN(c2ccc(CNC(=O)NCc3ccc(C#N)cc3)c[nH+]2)CCO1 ZINC000048876789 540376152 /nfs/dbraw/zinc/37/61/52/540376152.db2.gz BQFKLHUOBCSKGD-HNNXBMFYSA-N 1 2 365.437 2.178 20 30 FEEDLO Cc1n[nH]c(C)c1NC(=O)C[N@@H+]1CCCN(c2ccc(C#N)cc2)CC1 ZINC000051851549 540446467 /nfs/dbraw/zinc/44/64/67/540446467.db2.gz ALAGKKBBFRMCDH-UHFFFAOYSA-N 1 2 352.442 2.049 20 30 FEEDLO Cc1n[nH]c(C)c1NC(=O)C[N@H+]1CCCN(c2ccc(C#N)cc2)CC1 ZINC000051851549 540446470 /nfs/dbraw/zinc/44/64/70/540446470.db2.gz ALAGKKBBFRMCDH-UHFFFAOYSA-N 1 2 352.442 2.049 20 30 FEEDLO C=CC[N@@H+](CC(=O)N[C@@H](C(=O)NC)c1ccccc1)Cc1cccs1 ZINC000051824589 540445650 /nfs/dbraw/zinc/44/56/50/540445650.db2.gz BNDPGAUTNWHQNX-GOSISDBHSA-N 1 2 357.479 2.340 20 30 FEEDLO C=CC[N@H+](CC(=O)N[C@@H](C(=O)NC)c1ccccc1)Cc1cccs1 ZINC000051824589 540445654 /nfs/dbraw/zinc/44/56/54/540445654.db2.gz BNDPGAUTNWHQNX-GOSISDBHSA-N 1 2 357.479 2.340 20 30 FEEDLO CC(=O)Nc1cccc2c1CC[N@@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C2 ZINC000054389981 540587590 /nfs/dbraw/zinc/58/75/90/540587590.db2.gz IRECSMYBMBFSOU-JLTOFOAXSA-N 1 2 356.470 2.446 20 30 FEEDLO CC(=O)Nc1cccc2c1CC[N@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C2 ZINC000054389981 540587592 /nfs/dbraw/zinc/58/75/92/540587592.db2.gz IRECSMYBMBFSOU-JLTOFOAXSA-N 1 2 356.470 2.446 20 30 FEEDLO C=CCOc1cccc(NC(=O)N2CC[NH+](CC(=O)N3CCCC3)CC2)c1 ZINC000056772237 540743984 /nfs/dbraw/zinc/74/39/84/540743984.db2.gz CRXNNAGNMGYOMS-UHFFFAOYSA-N 1 2 372.469 2.023 20 30 FEEDLO N#Cc1cccc(S(=O)(=O)N2CC[NH+](CCc3cccs3)CC2)c1 ZINC000057018883 540763274 /nfs/dbraw/zinc/76/32/74/540763274.db2.gz YZKVZQFJLSSGDO-UHFFFAOYSA-N 1 2 361.492 2.169 20 30 FEEDLO Cc1ccc(C#N)cc1NC(=O)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000057670875 540806670 /nfs/dbraw/zinc/80/66/70/540806670.db2.gz KHAJRDMWSYGPBT-UHFFFAOYSA-N 1 2 368.462 2.211 20 30 FEEDLO Cc1cccc([C@@H](CNC(=O)N2CCC(C#N)CC2)[NH+]2CCOCC2)c1 ZINC000060989341 541124099 /nfs/dbraw/zinc/12/40/99/541124099.db2.gz ZKMWIKBSPOKBPV-LJQANCHMSA-N 1 2 356.470 2.314 20 30 FEEDLO Cc1cc(C)n(-c2ccc(C(N)=[NH+]OCC(=O)N(C(C)C)C(C)C)cn2)n1 ZINC000063864107 541189932 /nfs/dbraw/zinc/18/99/32/541189932.db2.gz FXXWFNDFHQYPFA-UHFFFAOYSA-N 1 2 372.473 2.166 20 30 FEEDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(c2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000067348712 541446736 /nfs/dbraw/zinc/44/67/36/541446736.db2.gz ZWEDZSDZOISHJS-LBPRGKRZSA-N 1 2 366.387 2.366 20 30 FEEDLO Cc1nn(C)cc1[C@@H](C)NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000069339347 541679370 /nfs/dbraw/zinc/67/93/70/541679370.db2.gz SYNZNXZBWQYFLG-OAHLLOKOSA-N 1 2 366.469 2.189 20 30 FEEDLO COc1ccc(NC(=O)[C@H](C)[NH+]2CCN(c3ncccc3C#N)CC2)cc1 ZINC000073108738 541919581 /nfs/dbraw/zinc/91/95/81/541919581.db2.gz YIIQJTXPPTYKSX-HNNXBMFYSA-N 1 2 365.437 2.111 20 30 FEEDLO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@@H+]2CC[C@H](O)C2)c1C#N ZINC000074313415 542067597 /nfs/dbraw/zinc/06/75/97/542067597.db2.gz KDCJTACEPSZFLK-INIZCTEOSA-N 1 2 356.401 2.110 20 30 FEEDLO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@H+]2CC[C@H](O)C2)c1C#N ZINC000074313415 542067601 /nfs/dbraw/zinc/06/76/01/542067601.db2.gz KDCJTACEPSZFLK-INIZCTEOSA-N 1 2 356.401 2.110 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(Cc3nc(CC(F)(F)F)no3)CC2)cc1 ZINC000075620812 542193224 /nfs/dbraw/zinc/19/32/24/542193224.db2.gz UVKIAAXIFLDKRV-UHFFFAOYSA-N 1 2 365.359 2.364 20 30 FEEDLO N#Cc1cccc(-c2nnc(C[N@H+]3CCC[C@@H](N4CCCC4=O)C3)o2)c1 ZINC000075738335 542201659 /nfs/dbraw/zinc/20/16/59/542201659.db2.gz BZXGMZOVEJHLEJ-MRXNPFEDSA-N 1 2 351.410 2.195 20 30 FEEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3CCC[C@@H](N4CCCC4=O)C3)o2)c1 ZINC000075738335 542201661 /nfs/dbraw/zinc/20/16/61/542201661.db2.gz BZXGMZOVEJHLEJ-MRXNPFEDSA-N 1 2 351.410 2.195 20 30 FEEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1)C1CC1 ZINC000076181141 542240733 /nfs/dbraw/zinc/24/07/33/542240733.db2.gz PWCNCXMSXZKDSK-UMNHJUIQSA-N 1 2 357.298 2.467 20 30 FEEDLO C[C@@](C#N)(NC(=O)C[N@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1)C1CC1 ZINC000076181141 542240737 /nfs/dbraw/zinc/24/07/37/542240737.db2.gz PWCNCXMSXZKDSK-UMNHJUIQSA-N 1 2 357.298 2.467 20 30 FEEDLO N#CCOc1ccc(/C=C/C(=O)NCCc2cn3c([nH+]2)CCCC3)cc1 ZINC000078382349 542459637 /nfs/dbraw/zinc/45/96/37/542459637.db2.gz ZYCRDYUIXJACTP-RMKNXTFCSA-N 1 2 350.422 2.494 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000078527507 542466264 /nfs/dbraw/zinc/46/62/64/542466264.db2.gz QIMQFNOMXMORHB-UHFFFAOYSA-N 1 2 371.485 2.367 20 30 FEEDLO C[C@H](O[NH+]=C(N)c1ccc(N2CCCCC2)nc1)C(=O)N1CCC(C)CC1 ZINC000078696080 542477000 /nfs/dbraw/zinc/47/70/00/542477000.db2.gz GNBKGALAYSYWNV-INIZCTEOSA-N 1 2 373.501 2.356 20 30 FEEDLO N#C[C@H](c1ccccc1)N1CC[NH+](CC(=O)NC(C2CC2)C2CC2)CC1 ZINC000080906401 542613537 /nfs/dbraw/zinc/61/35/37/542613537.db2.gz ZZWCHKJGUYCGCD-LJQANCHMSA-N 1 2 352.482 2.174 20 30 FEEDLO N#CCCN(CCC(=O)Nc1ccccc1Cl)CC[NH+]1CCOCC1 ZINC000081158292 542636738 /nfs/dbraw/zinc/63/67/38/542636738.db2.gz WMMPANHYXIVKMI-UHFFFAOYSA-N 1 2 364.877 2.216 20 30 FEEDLO N#CCC[N@@H+](CCC(=O)Nc1ccccc1Cl)CCN1CCOCC1 ZINC000081158292 542636744 /nfs/dbraw/zinc/63/67/44/542636744.db2.gz WMMPANHYXIVKMI-UHFFFAOYSA-N 1 2 364.877 2.216 20 30 FEEDLO N#CCC[N@H+](CCC(=O)Nc1ccccc1Cl)CCN1CCOCC1 ZINC000081158292 542636747 /nfs/dbraw/zinc/63/67/47/542636747.db2.gz WMMPANHYXIVKMI-UHFFFAOYSA-N 1 2 364.877 2.216 20 30 FEEDLO C[C@@H]1C[C@@H](C)CN(C(=O)C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)C1 ZINC000088523670 542752396 /nfs/dbraw/zinc/75/23/96/542752396.db2.gz MCTGEDPSRKWRLE-GGPKGHCWSA-N 1 2 354.498 2.373 20 30 FEEDLO Cc1nn(-c2ccccc2)c(C[NH+]2CCC(N3CCNC3=O)CC2)c1C#N ZINC000091066823 542793332 /nfs/dbraw/zinc/79/33/32/542793332.db2.gz OLQJXRWPEFZOLW-UHFFFAOYSA-N 1 2 364.453 2.042 20 30 FEEDLO C=CCOc1ccc(C[N@H+](CC=C)[C@H]2CCS(=O)(=O)C2)cc1OC ZINC000092361372 542859639 /nfs/dbraw/zinc/85/96/39/542859639.db2.gz NDZLVWQEKFBMDL-INIZCTEOSA-N 1 2 351.468 2.435 20 30 FEEDLO C=CCOc1ccc(C[N@@H+](CC=C)[C@H]2CCS(=O)(=O)C2)cc1OC ZINC000092361372 542859642 /nfs/dbraw/zinc/85/96/42/542859642.db2.gz NDZLVWQEKFBMDL-INIZCTEOSA-N 1 2 351.468 2.435 20 30 FEEDLO C=CC[N@@H+](Cc1c[nH]nc1-c1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361676 542859726 /nfs/dbraw/zinc/85/97/26/542859726.db2.gz UWAWBXICHTYGKB-MRXNPFEDSA-N 1 2 361.467 2.260 20 30 FEEDLO C=CC[N@H+](Cc1c[nH]nc1-c1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361676 542859728 /nfs/dbraw/zinc/85/97/28/542859728.db2.gz UWAWBXICHTYGKB-MRXNPFEDSA-N 1 2 361.467 2.260 20 30 FEEDLO Cc1ncc(C[NH+]2CCN([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC2)s1 ZINC000106091570 543194555 /nfs/dbraw/zinc/19/45/55/543194555.db2.gz DQHZBNCVQVHNDG-KDOFPFPSSA-N 1 2 363.531 2.012 20 30 FEEDLO CC[NH+]1CCN(C(=O)C(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1 ZINC000109034796 543311792 /nfs/dbraw/zinc/31/17/92/543311792.db2.gz UBUJFUATZAFDDP-AWEZNQCLSA-N 1 2 360.483 2.183 20 30 FEEDLO C=CC1CC[NH+](CC(=O)N([C@@H]2CCS(=O)(=O)C2)C2CCCCC2)CC1 ZINC000111259800 543390215 /nfs/dbraw/zinc/39/02/15/543390215.db2.gz QIIKHEVDJDDVRK-GOSISDBHSA-N 1 2 368.543 2.233 20 30 FEEDLO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000112982294 543470742 /nfs/dbraw/zinc/47/07/42/543470742.db2.gz MCITUJJPMQUCSM-INIZCTEOSA-N 1 2 362.861 2.483 20 30 FEEDLO CCN(CC)C(=O)[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000112982294 543470746 /nfs/dbraw/zinc/47/07/46/543470746.db2.gz MCITUJJPMQUCSM-INIZCTEOSA-N 1 2 362.861 2.483 20 30 FEEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000118835769 543660074 /nfs/dbraw/zinc/66/00/74/543660074.db2.gz YULGRTQNUAPSGO-ZWKOTPCHSA-N 1 2 369.513 2.491 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000119277448 543666026 /nfs/dbraw/zinc/66/60/26/543666026.db2.gz KPSNVZUMRDOIFN-UHFFFAOYSA-N 1 2 352.822 2.296 20 30 FEEDLO Cc1cc(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)cnc1Cl ZINC000119482122 543667985 /nfs/dbraw/zinc/66/79/85/543667985.db2.gz JIODGQIYCPPVMY-UHFFFAOYSA-N 1 2 351.838 2.123 20 30 FEEDLO C=CCNC(=O)C[NH+]1CCN(Cc2ccc(F)c(C(F)(F)F)c2)CC1 ZINC000122227624 543705161 /nfs/dbraw/zinc/70/51/61/543705161.db2.gz WOZSEBSVDOIQBG-UHFFFAOYSA-N 1 2 359.367 2.264 20 30 FEEDLO Cn1cc[nH+]c1CN1CCN(c2ccc(C#N)cc2Br)CC1 ZINC000123718595 543778971 /nfs/dbraw/zinc/77/89/71/543778971.db2.gz ZXOCYYUGIPTLKM-UHFFFAOYSA-N 1 2 360.259 2.376 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+](C)CC(=O)NC2CC2)c1 ZINC000127016898 543968135 /nfs/dbraw/zinc/96/81/35/543968135.db2.gz NGCHUYHJKYXBBT-MRXNPFEDSA-N 1 2 356.470 2.149 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)CC(=O)NC2CC2)c1 ZINC000127016898 543968137 /nfs/dbraw/zinc/96/81/37/543968137.db2.gz NGCHUYHJKYXBBT-MRXNPFEDSA-N 1 2 356.470 2.149 20 30 FEEDLO C=C(C)CN(CC)C(=O)C[NH+]1CCN(Cc2nc3ccccc3[nH]2)CC1 ZINC000128593128 544061702 /nfs/dbraw/zinc/06/17/02/544061702.db2.gz PBPHPTMKJWPJPY-UHFFFAOYSA-N 1 2 355.486 2.105 20 30 FEEDLO C=CCC[C@@H](CC)[NH2+]C1CCN(S(=O)(=O)NCC(F)(F)F)CC1 ZINC000130494367 544153624 /nfs/dbraw/zinc/15/36/24/544153624.db2.gz UQDVXONKYSIYOI-GFCCVEGCSA-N 1 2 357.442 2.182 20 30 FEEDLO CCC(CC)CN(CCC#N)C(=O)C(=O)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000133540185 544274008 /nfs/dbraw/zinc/27/40/08/544274008.db2.gz FOLWHLHISFKSLI-UHFFFAOYSA-N 1 2 368.441 2.384 20 30 FEEDLO C=CCNc1ncc(C(=O)NCc2ccc(N3CCO[C@H](C)C3)[nH+]c2)s1 ZINC000136170262 544367793 /nfs/dbraw/zinc/36/77/93/544367793.db2.gz DKEHFWAAZXICBY-CYBMUJFWSA-N 1 2 373.482 2.291 20 30 FEEDLO C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)C[C@@H]1n1cc[nH+]c1 ZINC000151420033 544538706 /nfs/dbraw/zinc/53/87/06/544538706.db2.gz RBJZDHJSRXMVSI-WBMJQRKESA-N 1 2 371.828 2.456 20 30 FEEDLO C=CCn1c(=O)c2ccc(C(=O)N(C)[C@H]3CCC[N@H+](C)C3)cc2[nH]c1=S ZINC000151122741 544507762 /nfs/dbraw/zinc/50/77/62/544507762.db2.gz GWIOSWWOTPLOGH-AWEZNQCLSA-N 1 2 372.494 2.037 20 30 FEEDLO C=CCn1c(=O)c2ccc(C(=O)N(C)[C@H]3CCC[N@@H+](C)C3)cc2[nH]c1=S ZINC000151122741 544507767 /nfs/dbraw/zinc/50/77/67/544507767.db2.gz GWIOSWWOTPLOGH-AWEZNQCLSA-N 1 2 372.494 2.037 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccc(OCC(F)(F)F)nc1 ZINC000151326726 544528915 /nfs/dbraw/zinc/52/89/15/544528915.db2.gz VRBJKKUJSDCFIG-UHFFFAOYSA-N 1 2 372.391 2.071 20 30 FEEDLO Cc1cc(-c2noc(CN(CCC#N)CC[NH+]3CCOCC3)n2)ccc1F ZINC000151325609 544529291 /nfs/dbraw/zinc/52/92/91/544529291.db2.gz MZTBXBOGUXLCTQ-UHFFFAOYSA-N 1 2 373.432 2.232 20 30 FEEDLO Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000152988264 544719966 /nfs/dbraw/zinc/71/99/66/544719966.db2.gz AKLONBKWFOYJHB-QGZVFWFLSA-N 1 2 366.469 2.136 20 30 FEEDLO N#CCC[C@H](NC(=O)C[NH+]1CCN(c2ccccn2)CC1)c1ccccc1 ZINC000153346303 544764177 /nfs/dbraw/zinc/76/41/77/544764177.db2.gz YKFZWKITDFIBQW-IBGZPJMESA-N 1 2 363.465 2.365 20 30 FEEDLO C[C@H](C(=O)N(C)CCC#N)[NH+]1CCN(c2ccc(F)cc2Cl)CC1 ZINC000153475077 544780180 /nfs/dbraw/zinc/78/01/80/544780180.db2.gz KQWUIIWRDQMRQC-CYBMUJFWSA-N 1 2 352.841 2.362 20 30 FEEDLO CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)CCN1CC(F)F ZINC000153663171 544805533 /nfs/dbraw/zinc/80/55/33/544805533.db2.gz MZNVYKBUUBJZIL-LSDHHAIUSA-N 1 2 356.461 2.379 20 30 FEEDLO CC[C@@H]1C[N@H+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)CCN1CC(F)F ZINC000153663171 544805536 /nfs/dbraw/zinc/80/55/36/544805536.db2.gz MZNVYKBUUBJZIL-LSDHHAIUSA-N 1 2 356.461 2.379 20 30 FEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN(Cc2csc(CC)n2)CC1 ZINC000154467620 544909898 /nfs/dbraw/zinc/90/98/98/544909898.db2.gz YJDFPCBQVIKBHB-MRXNPFEDSA-N 1 2 362.543 2.412 20 30 FEEDLO C=CCN(CC=C)C(=O)C[NH+]1CCN(C(=O)Nc2cccc(C)c2)CC1 ZINC000154612259 544928208 /nfs/dbraw/zinc/92/82/08/544928208.db2.gz BGFSEJCEBVEAIA-UHFFFAOYSA-N 1 2 356.470 2.345 20 30 FEEDLO COc1cc(C#N)ccc1S(=O)(=O)NCc1cn2cccc(C)c2[nH+]1 ZINC000185885271 327937224 /nfs/dbraw/zinc/93/72/24/327937224.db2.gz YAJKOTYCJVFRLF-UHFFFAOYSA-N 1 2 356.407 2.002 20 30 FEEDLO COC(=O)[C@H]1C[N@H+](Cc2cccn2Cc2ccccc2C#N)C[C@@H](C)O1 ZINC000187465432 328027725 /nfs/dbraw/zinc/02/77/25/328027725.db2.gz SERZIGVSMAKIHH-DNVCBOLYSA-N 1 2 353.422 2.170 20 30 FEEDLO COC(=O)[C@H]1C[N@@H+](Cc2cccn2Cc2ccccc2C#N)C[C@@H](C)O1 ZINC000187465432 328027726 /nfs/dbraw/zinc/02/77/26/328027726.db2.gz SERZIGVSMAKIHH-DNVCBOLYSA-N 1 2 353.422 2.170 20 30 FEEDLO Cc1cccc(C)c1NC(=O)CN1CC[NH+](Cc2cc(C#N)n(C)c2)CC1 ZINC000191185271 328253101 /nfs/dbraw/zinc/25/31/01/328253101.db2.gz DQNIJUUJCMJEPR-UHFFFAOYSA-N 1 2 365.481 2.270 20 30 FEEDLO C[C@@H]1C[C@@H](C)CN(C(=O)C[NH+]2CCN(Cc3cc(C#N)ccc3F)CC2)C1 ZINC000022848207 324402296 /nfs/dbraw/zinc/40/22/96/324402296.db2.gz XOLZTFQPPSWPNI-IAGOWNOFSA-N 1 2 372.488 2.319 20 30 FEEDLO N#Cc1cc(NC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)ccc1F ZINC000077498323 324992588 /nfs/dbraw/zinc/99/25/88/324992588.db2.gz MCTFZYGECGKLDA-KRWDZBQOSA-N 1 2 364.446 2.027 20 30 FEEDLO N#Cc1ccc(N2CCN(C(=O)[C@H]3CCCn4cc[nH+]c43)CC2)c(F)c1 ZINC000080612352 325137542 /nfs/dbraw/zinc/13/75/42/325137542.db2.gz YFGXIUHEZRURCW-HNNXBMFYSA-N 1 2 353.401 2.120 20 30 FEEDLO CSc1[nH]c(=O)c(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)cc1C#N ZINC000116467118 326017307 /nfs/dbraw/zinc/01/73/07/326017307.db2.gz ULNQHPOOIWABRL-CYBMUJFWSA-N 1 2 350.488 2.065 20 30 FEEDLO Cc1n[nH]c(C)c1C[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000119679752 326187316 /nfs/dbraw/zinc/18/73/16/326187316.db2.gz WKIJKUVXRDKNOP-UHFFFAOYSA-N 1 2 352.398 2.468 20 30 FEEDLO CC(C)OCC[NH+]1CCN(C(=O)C(C)(C)Oc2ccc(C#N)cc2)CC1 ZINC000120207928 326240765 /nfs/dbraw/zinc/24/07/65/326240765.db2.gz VEOHANHHNHOXQD-UHFFFAOYSA-N 1 2 359.470 2.285 20 30 FEEDLO CCOC(=O)c1c[nH]n(C2CC[NH+](Cc3cc(C#N)ccc3F)CC2)c1=N ZINC000120711771 326280919 /nfs/dbraw/zinc/28/09/19/326280919.db2.gz KESCVZZMJIPZEW-UHFFFAOYSA-N 1 2 371.416 2.320 20 30 FEEDLO COC(=O)[C@@H](Nc1ccc(N2CCOCC2)[nH+]c1C)c1cccc(C#N)c1 ZINC000120880061 326295649 /nfs/dbraw/zinc/29/56/49/326295649.db2.gz ISUQVMHQNSUPAY-IBGZPJMESA-N 1 2 366.421 2.425 20 30 FEEDLO N#Cc1ccc(C(F)(F)F)c(N2CC[NH+](CC(=O)N3CCCC3)CC2)c1 ZINC000127562971 326508750 /nfs/dbraw/zinc/50/87/50/326508750.db2.gz AAHRYIRFESPWJW-UHFFFAOYSA-N 1 2 366.387 2.321 20 30 FEEDLO C[C@H]1CCC[C@@H](NC(=O)CN2CC[NH+](Cc3ccc(C#N)s3)CC2)C1 ZINC000131286214 326571897 /nfs/dbraw/zinc/57/18/97/326571897.db2.gz RMLXGGAMMBQSJD-JKSUJKDBSA-N 1 2 360.527 2.432 20 30 FEEDLO COc1ccc(CN2CC[NH+](CC(=O)N3CCCC[C@@H]3C)CC2)cc1C#N ZINC000134952395 326634210 /nfs/dbraw/zinc/63/42/10/326634210.db2.gz OXROVZPQAFHTPJ-KRWDZBQOSA-N 1 2 370.497 2.085 20 30 FEEDLO N#Cc1cc(F)ccc1S(=O)(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000156139967 326819055 /nfs/dbraw/zinc/81/90/55/326819055.db2.gz PQTBMRTWACIEEP-OAHLLOKOSA-N 1 2 363.414 2.406 20 30 FEEDLO N#Cc1ccc(F)c(CN2CC[NH+](CC(=O)NC3CCCCC3)CC2)c1 ZINC000171394219 327136665 /nfs/dbraw/zinc/13/66/65/327136665.db2.gz UTXUEGNKLYJODH-UHFFFAOYSA-N 1 2 358.461 2.264 20 30 FEEDLO N#Cc1cccnc1N1CC[NH+](C[C@@H]2CN(c3ccccc3)C(=O)O2)CC1 ZINC000172741389 327216093 /nfs/dbraw/zinc/21/60/93/327216093.db2.gz NLWMGQJYNHRATG-GOSISDBHSA-N 1 2 363.421 2.101 20 30 FEEDLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000174092901 327305838 /nfs/dbraw/zinc/30/58/38/327305838.db2.gz ZUPGXZDCLBNZLA-GFCCVEGCSA-N 1 2 369.391 2.334 20 30 FEEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000174662140 327341936 /nfs/dbraw/zinc/34/19/36/327341936.db2.gz AYQTZQBOWREJKK-INIZCTEOSA-N 1 2 364.449 2.409 20 30 FEEDLO CCO[C@@H]1C[C@@H](O)C12CC[NH+]([C@@H](C(=O)OC)c1cccc(C#N)c1)CC2 ZINC000246543971 328626200 /nfs/dbraw/zinc/62/62/00/328626200.db2.gz SUHNPCRLEVFRBD-KZNAEPCWSA-N 1 2 358.438 2.024 20 30 FEEDLO CN(CC[NH+]1CCOCC1)C(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000263849544 328968095 /nfs/dbraw/zinc/96/80/95/328968095.db2.gz FYCHGODPYYGGOU-UHFFFAOYSA-N 1 2 369.421 2.134 20 30 FEEDLO COC(=O)[C@@H](c1ccccc1)[N@H+](C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000265488165 329132071 /nfs/dbraw/zinc/13/20/71/329132071.db2.gz JPFFHBGOMOXECW-PKOBYXMFSA-N 1 2 354.406 2.144 20 30 FEEDLO COC(=O)[C@@H](c1ccccc1)[N@@H+](C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000265488165 329132073 /nfs/dbraw/zinc/13/20/73/329132073.db2.gz JPFFHBGOMOXECW-PKOBYXMFSA-N 1 2 354.406 2.144 20 30 FEEDLO Cc1oc(NC(=O)CN2CC[NH+]([C@H](C)c3cccnc3)CC2)c(C#N)c1C ZINC000265533982 329136568 /nfs/dbraw/zinc/13/65/68/329136568.db2.gz VYJBIQSFZFJSJZ-OAHLLOKOSA-N 1 2 367.453 2.480 20 30 FEEDLO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000265581578 329140425 /nfs/dbraw/zinc/14/04/25/329140425.db2.gz GLUUSEYVGJIXSV-MNDBLIDSSA-N 1 2 353.875 2.382 20 30 FEEDLO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000265581578 329140426 /nfs/dbraw/zinc/14/04/26/329140426.db2.gz GLUUSEYVGJIXSV-MNDBLIDSSA-N 1 2 353.875 2.382 20 30 FEEDLO CO[C@@H](C)c1nc(C[N@@H+]2CCCN(c3nccnc3C#N)CC2)cs1 ZINC000267804384 329359361 /nfs/dbraw/zinc/35/93/61/329359361.db2.gz REPKZYFHGXHPKX-ZDUSSCGKSA-N 1 2 358.471 2.224 20 30 FEEDLO CO[C@@H](C)c1nc(C[N@H+]2CCCN(c3nccnc3C#N)CC2)cs1 ZINC000267804384 329359362 /nfs/dbraw/zinc/35/93/62/329359362.db2.gz REPKZYFHGXHPKX-ZDUSSCGKSA-N 1 2 358.471 2.224 20 30 FEEDLO CCOC(=O)CC[C@@H](C)NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000270540116 329608703 /nfs/dbraw/zinc/60/87/03/329608703.db2.gz QUIYMWITZSKLTH-MRXNPFEDSA-N 1 2 372.469 2.117 20 30 FEEDLO CC[N@@H+]1CCO[C@H](C(=O)OCC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000805475298 674338999 /nfs/dbraw/zinc/33/89/99/674338999.db2.gz ZZBAIUGJPQKDRW-HNNXBMFYSA-N 1 2 357.328 2.201 20 30 FEEDLO CC[N@H+]1CCO[C@H](C(=O)OCC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000805475298 674339001 /nfs/dbraw/zinc/33/90/01/674339001.db2.gz ZZBAIUGJPQKDRW-HNNXBMFYSA-N 1 2 357.328 2.201 20 30 FEEDLO CNC(=O)OC[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000805827931 674356211 /nfs/dbraw/zinc/35/62/11/674356211.db2.gz PYUGPMFRAQHWRU-CQSZACIVSA-N 1 2 364.833 2.361 20 30 FEEDLO CNC(=O)OC[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000805827931 674356214 /nfs/dbraw/zinc/35/62/14/674356214.db2.gz PYUGPMFRAQHWRU-CQSZACIVSA-N 1 2 364.833 2.361 20 30 FEEDLO C[N@H+](Cc1nccs1)[C@H]1CC12CCN(C(=O)c1cc(C#N)c[nH]1)CC2 ZINC000275634158 523604131 /nfs/dbraw/zinc/60/41/31/523604131.db2.gz JSKXCMZTTZONKJ-HNNXBMFYSA-N 1 2 355.467 2.470 20 30 FEEDLO C[N@@H+](Cc1nccs1)[C@H]1CC12CCN(C(=O)c1cc(C#N)c[nH]1)CC2 ZINC000275634158 523604149 /nfs/dbraw/zinc/60/41/49/523604149.db2.gz JSKXCMZTTZONKJ-HNNXBMFYSA-N 1 2 355.467 2.470 20 30 FEEDLO N#Cc1ccc([C@@H](O)C[N@H+]2CCOC[C@H]2C[C@H](O)c2cccs2)cc1 ZINC000156685972 545647067 /nfs/dbraw/zinc/64/70/67/545647067.db2.gz ULFHBYIZMFTETJ-SQNIBIBYSA-N 1 2 358.463 2.478 20 30 FEEDLO N#Cc1ccc([C@@H](O)C[N@@H+]2CCOC[C@H]2C[C@H](O)c2cccs2)cc1 ZINC000156685972 545647071 /nfs/dbraw/zinc/64/70/71/545647071.db2.gz ULFHBYIZMFTETJ-SQNIBIBYSA-N 1 2 358.463 2.478 20 30 FEEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000161425066 546128685 /nfs/dbraw/zinc/12/86/85/546128685.db2.gz MKAMYESXDWQFMZ-GXTWGEPZSA-N 1 2 361.408 2.353 20 30 FEEDLO CN(C(=O)C[NH+]1CCC([C@H](O)C(F)(F)F)CC1)C1(C#N)CCCCC1 ZINC000161663302 546133130 /nfs/dbraw/zinc/13/31/30/546133130.db2.gz HATPUGBWFWGPGK-HNNXBMFYSA-N 1 2 361.408 2.306 20 30 FEEDLO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCO[C@H](c3cccc(O)c3)C2)cc1 ZINC000164235985 546148738 /nfs/dbraw/zinc/14/87/38/546148738.db2.gz YLSNDQNZJWOPRM-FPOVZHCZSA-N 1 2 368.433 2.271 20 30 FEEDLO N#CCc1ccc(OC[C@@H](O)C[N@H+]2CCO[C@H](c3cccc(O)c3)C2)cc1 ZINC000164235985 546148740 /nfs/dbraw/zinc/14/87/40/546148740.db2.gz YLSNDQNZJWOPRM-FPOVZHCZSA-N 1 2 368.433 2.271 20 30 FEEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000174753032 546303042 /nfs/dbraw/zinc/30/30/42/546303042.db2.gz PTXCJEKNORBWMW-MLGOLLRUSA-N 1 2 373.350 2.460 20 30 FEEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000174753032 546303046 /nfs/dbraw/zinc/30/30/46/546303046.db2.gz PTXCJEKNORBWMW-MLGOLLRUSA-N 1 2 373.350 2.460 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccn(-c2ccc(F)cc2)n1 ZINC000174830208 546303709 /nfs/dbraw/zinc/30/37/09/546303709.db2.gz LMIYARQNZUMWNU-UHFFFAOYSA-N 1 2 357.433 2.059 20 30 FEEDLO CC(C)(C#N)CCC[NH+]1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000174812159 546303845 /nfs/dbraw/zinc/30/38/45/546303845.db2.gz BIHZWBFLCVZXMM-UHFFFAOYSA-N 1 2 360.483 2.195 20 30 FEEDLO CC(C)n1ncc2cc(CN(CCC#N)CC[NH+]3CCOCC3)cnc21 ZINC000176266349 546425710 /nfs/dbraw/zinc/42/57/10/546425710.db2.gz FNYRNXRFTIXBDE-UHFFFAOYSA-N 1 2 356.474 2.060 20 30 FEEDLO COc1c(F)cc(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1F ZINC000177536505 546639479 /nfs/dbraw/zinc/63/94/79/546639479.db2.gz SSLXNGOYAHYHSW-UHFFFAOYSA-N 1 2 368.384 2.053 20 30 FEEDLO N#Cc1ccc(CN2CCN(Cc3[nH]cc[nH+]3)CC2)c(Br)c1 ZINC000481105169 561225313 /nfs/dbraw/zinc/22/53/13/561225313.db2.gz JOMUCAVQTPZQSV-UHFFFAOYSA-N 1 2 360.259 2.362 20 30 FEEDLO C=C(C)COCCNC(=O)C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000178020705 546723871 /nfs/dbraw/zinc/72/38/71/546723871.db2.gz YNNCSEAAYBRYMY-UHFFFAOYSA-N 1 2 370.453 2.410 20 30 FEEDLO N#CCOc1ccc(CNC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000178757582 546844243 /nfs/dbraw/zinc/84/42/43/546844243.db2.gz ZTPBZVCHMNOBLM-MRXNPFEDSA-N 1 2 351.410 2.062 20 30 FEEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000179516002 546969171 /nfs/dbraw/zinc/96/91/71/546969171.db2.gz XPEMRFHODKJUDQ-CYBMUJFWSA-N 1 2 356.455 2.433 20 30 FEEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000179516002 546969173 /nfs/dbraw/zinc/96/91/73/546969173.db2.gz XPEMRFHODKJUDQ-CYBMUJFWSA-N 1 2 356.455 2.433 20 30 FEEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN(Cc2nc3ccccc3[nH]2)CC1 ZINC000180995413 547227132 /nfs/dbraw/zinc/22/71/32/547227132.db2.gz LOGBDDCUFHVWFW-KRWDZBQOSA-N 1 2 367.497 2.270 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(c3cnccn3)CC2)c(Br)c1 ZINC000181018998 547232409 /nfs/dbraw/zinc/23/24/09/547232409.db2.gz SDIPIJDINPAYLG-UHFFFAOYSA-N 1 2 358.243 2.433 20 30 FEEDLO C[C@](C#N)(NC(=O)C[NH2+][C@H](CO)c1c(Cl)cccc1Cl)C1CC1 ZINC000483225499 561271301 /nfs/dbraw/zinc/27/13/01/561271301.db2.gz HYEPWQUHJTWZKL-CZUORRHYSA-N 1 2 356.253 2.425 20 30 FEEDLO CC[C@@H]1CN(S(=O)(=O)c2ccc(C#N)nc2)CC[N@@H+]1Cc1ccccc1 ZINC000184944461 547904378 /nfs/dbraw/zinc/90/43/78/547904378.db2.gz ZMLANUXXBLNTJE-GOSISDBHSA-N 1 2 370.478 2.238 20 30 FEEDLO CC[C@@H]1CN(S(=O)(=O)c2ccc(C#N)nc2)CC[N@H+]1Cc1ccccc1 ZINC000184944461 547904380 /nfs/dbraw/zinc/90/43/80/547904380.db2.gz ZMLANUXXBLNTJE-GOSISDBHSA-N 1 2 370.478 2.238 20 30 FEEDLO CCN(CCC#N)C(=O)C[NH2+][C@H](C)c1nc(-c2cccc(OC)c2)no1 ZINC000185133837 547938623 /nfs/dbraw/zinc/93/86/23/547938623.db2.gz KUEXJUDDBJEPMV-CYBMUJFWSA-N 1 2 357.414 2.158 20 30 FEEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000185152286 547941861 /nfs/dbraw/zinc/94/18/61/547941861.db2.gz SFDFNXAINTVZBF-CRAIPNDOSA-N 1 2 350.484 2.143 20 30 FEEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCO[C@]2(CCOC2)C1 ZINC000185152286 547941866 /nfs/dbraw/zinc/94/18/66/547941866.db2.gz SFDFNXAINTVZBF-CRAIPNDOSA-N 1 2 350.484 2.143 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@@H](C)c1nc(Cc2ccccc2)no1 ZINC000185377483 547976488 /nfs/dbraw/zinc/97/64/88/547976488.db2.gz ZHYPXGTXOXAXAT-IFXJQAMLSA-N 1 2 355.442 2.365 20 30 FEEDLO C[NH+](C)[C@H](CNS(=O)(=O)c1cc(C#N)ccc1Cl)c1ccco1 ZINC000186045953 548077881 /nfs/dbraw/zinc/07/78/81/548077881.db2.gz LVJFSDRRLGIPOM-CYBMUJFWSA-N 1 2 353.831 2.386 20 30 FEEDLO N#CCSc1ccccc1NC(=O)C[NH+]1CCC(Cn2cncn2)CC1 ZINC000186254932 548107863 /nfs/dbraw/zinc/10/78/63/548107863.db2.gz GIMIOBCZLSSHIM-UHFFFAOYSA-N 1 2 370.482 2.244 20 30 FEEDLO Cc1cc(NC(=O)CN2CC[NH+]([C@H](C)c3cccc(C#N)c3)CC2)no1 ZINC000186297183 548115224 /nfs/dbraw/zinc/11/52/24/548115224.db2.gz LQDZCZSTSLTXCB-OAHLLOKOSA-N 1 2 353.426 2.172 20 30 FEEDLO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CCSC3(CCOCC3)C2)C1=O ZINC000186852861 548206737 /nfs/dbraw/zinc/20/67/37/548206737.db2.gz ASDUUKRFEKNFKL-CQSZACIVSA-N 1 2 363.508 2.323 20 30 FEEDLO N#Cc1ccsc1N1CC[C@@H]([N@H+]2CCSC3(CCOCC3)C2)C1=O ZINC000186852861 548206741 /nfs/dbraw/zinc/20/67/41/548206741.db2.gz ASDUUKRFEKNFKL-CQSZACIVSA-N 1 2 363.508 2.323 20 30 FEEDLO COC[C@H]1C[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C[C@H](C)O1 ZINC000189419177 548302130 /nfs/dbraw/zinc/30/21/30/548302130.db2.gz WJDMENANZROOQN-RLFYNMQTSA-N 1 2 363.433 2.197 20 30 FEEDLO COC[C@H]1C[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C[C@H](C)O1 ZINC000189419177 548302134 /nfs/dbraw/zinc/30/21/34/548302134.db2.gz WJDMENANZROOQN-RLFYNMQTSA-N 1 2 363.433 2.197 20 30 FEEDLO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N([C@@H]2C[C@H]3OCCC[C@@H]32)CC1=O ZINC000190084363 548316619 /nfs/dbraw/zinc/31/66/19/548316619.db2.gz WFNUFLRHFZRAJQ-SRCQZFHVSA-N 1 2 352.438 2.214 20 30 FEEDLO CCCc1nc(C)c(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)s1 ZINC000486331310 561344477 /nfs/dbraw/zinc/34/44/77/561344477.db2.gz GSDQOPURJRSPAU-UHFFFAOYSA-N 1 2 365.503 2.484 20 30 FEEDLO C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2CC(=O)Nc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000194572488 548500704 /nfs/dbraw/zinc/50/07/04/548500704.db2.gz MONONSRNRZBOBT-FCEWJHQRSA-N 1 2 356.470 2.070 20 30 FEEDLO C[C@@H]1CN(C[C@@H]2CCC[N@H+]2CC(=O)Nc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000194572488 548500706 /nfs/dbraw/zinc/50/07/06/548500706.db2.gz MONONSRNRZBOBT-FCEWJHQRSA-N 1 2 356.470 2.070 20 30 FEEDLO Cc1cc(C[NH+]2CCN(CC(=O)NCc3ccccc3)CC2)ccc1C#N ZINC000486797195 561356910 /nfs/dbraw/zinc/35/69/10/561356910.db2.gz HRWOKZHZUOYCMQ-UHFFFAOYSA-N 1 2 362.477 2.301 20 30 FEEDLO C[C@@H](NC(=O)C[N@H+](Cc1ccc(C#N)cc1)C1CC1)C(=O)N1CCCCC1 ZINC000194959287 548556404 /nfs/dbraw/zinc/55/64/04/548556404.db2.gz KECORLUEGVEPHD-MRXNPFEDSA-N 1 2 368.481 2.040 20 30 FEEDLO C[C@@H](NC(=O)C[N@@H+](Cc1ccc(C#N)cc1)C1CC1)C(=O)N1CCCCC1 ZINC000194959287 548556408 /nfs/dbraw/zinc/55/64/08/548556408.db2.gz KECORLUEGVEPHD-MRXNPFEDSA-N 1 2 368.481 2.040 20 30 FEEDLO C=CCOc1ccccc1C(=O)NCC1([NH+]2CCOCC2)CC(OCC)C1 ZINC000195183121 548592140 /nfs/dbraw/zinc/59/21/40/548592140.db2.gz FXRRFFNULUYRCX-UHFFFAOYSA-N 1 2 374.481 2.251 20 30 FEEDLO Cc1nsc(N2CCC[N@@H+]([C@H](C)C(=O)Nc3cccc(C#N)c3)CC2)n1 ZINC000245444354 548922847 /nfs/dbraw/zinc/92/28/47/548922847.db2.gz JOUUESWIBGGYOX-CYBMUJFWSA-N 1 2 370.482 2.258 20 30 FEEDLO Cc1nsc(N2CCC[N@H+]([C@H](C)C(=O)Nc3cccc(C#N)c3)CC2)n1 ZINC000245444354 548922854 /nfs/dbraw/zinc/92/28/54/548922854.db2.gz JOUUESWIBGGYOX-CYBMUJFWSA-N 1 2 370.482 2.258 20 30 FEEDLO Cc1ccc(-n2c[nH+]c3c2CCN([C@H](C)C(=O)N(C)CCC#N)C3)cc1 ZINC000487983643 561380734 /nfs/dbraw/zinc/38/07/34/561380734.db2.gz WODMHEADKYJVCB-MRXNPFEDSA-N 1 2 351.454 2.299 20 30 FEEDLO CO[C@@H]1C[N@H+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)C[C@@H]1OC ZINC000488037744 561381751 /nfs/dbraw/zinc/38/17/51/561381751.db2.gz WGQQCEREXCTXGB-BMFZPTHFSA-N 1 2 363.483 2.222 20 30 FEEDLO CO[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)C[C@@H]1OC ZINC000488037744 561381752 /nfs/dbraw/zinc/38/17/52/561381752.db2.gz WGQQCEREXCTXGB-BMFZPTHFSA-N 1 2 363.483 2.222 20 30 FEEDLO CCN(CCC#N)C(=O)CN1CCc2c([nH+]cn2-c2ccc(C)cc2)C1 ZINC000488035858 561381830 /nfs/dbraw/zinc/38/18/30/561381830.db2.gz PMTQEMRBGDPRPU-UHFFFAOYSA-N 1 2 351.454 2.301 20 30 FEEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+](C)C[C@@H](O)C(F)(F)F ZINC000245985292 549031462 /nfs/dbraw/zinc/03/14/62/549031462.db2.gz HIDWSGKNGADWDN-PRHODGIISA-N 1 2 361.389 2.290 20 30 FEEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+](C)C[C@@H](O)C(F)(F)F ZINC000245985292 549031466 /nfs/dbraw/zinc/03/14/66/549031466.db2.gz HIDWSGKNGADWDN-PRHODGIISA-N 1 2 361.389 2.290 20 30 FEEDLO CCN(C(=O)C[N@@H+]1CCN(c2nccnc2C#N)C[C@H]1C)C1CCCCC1 ZINC000247061226 549275272 /nfs/dbraw/zinc/27/52/72/549275272.db2.gz IPZOETQOJIQFFX-MRXNPFEDSA-N 1 2 370.501 2.040 20 30 FEEDLO CCN(C(=O)C[N@H+]1CCN(c2nccnc2C#N)C[C@H]1C)C1CCCCC1 ZINC000247061226 549275276 /nfs/dbraw/zinc/27/52/76/549275276.db2.gz IPZOETQOJIQFFX-MRXNPFEDSA-N 1 2 370.501 2.040 20 30 FEEDLO Cc1ncc(S(=O)(=O)NCc2ccc(N3CCCCC3)[nH+]c2)cc1C#N ZINC000489121286 561403866 /nfs/dbraw/zinc/40/38/66/561403866.db2.gz XCLDJYCRQYFZSU-UHFFFAOYSA-N 1 2 371.466 2.126 20 30 FEEDLO C=C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1 ZINC000489495187 561412848 /nfs/dbraw/zinc/41/28/48/561412848.db2.gz KQBVIYINCNQJII-MRXNPFEDSA-N 1 2 365.499 2.224 20 30 FEEDLO C=C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1 ZINC000489495187 561412849 /nfs/dbraw/zinc/41/28/49/561412849.db2.gz KQBVIYINCNQJII-MRXNPFEDSA-N 1 2 365.499 2.224 20 30 FEEDLO Cn1cc[nH+]c1C[C@@H]1CCCN(S(=O)(=O)c2ccc(C#N)c(F)c2)C1 ZINC000489679019 561416864 /nfs/dbraw/zinc/41/68/64/561416864.db2.gz AMIBCYYQYOBQNE-ZDUSSCGKSA-N 1 2 362.430 2.074 20 30 FEEDLO CC(=O)Nc1ccc(C)c(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000266957848 550025958 /nfs/dbraw/zinc/02/59/58/550025958.db2.gz JEMLOXABCXKDCD-UHFFFAOYSA-N 1 2 373.457 2.033 20 30 FEEDLO COc1ccc(CC(N)=[NH+]OCC(=O)N(C)Cc2ccc(OC)cc2)cc1 ZINC000267008386 550026779 /nfs/dbraw/zinc/02/67/79/550026779.db2.gz LGLJNTQZFFTPGC-UHFFFAOYSA-N 1 2 371.437 2.194 20 30 FEEDLO C[C@@H]1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000268333499 550051554 /nfs/dbraw/zinc/05/15/54/550051554.db2.gz NEWTZUWGXYJWQU-WBMJQRKESA-N 1 2 371.828 2.456 20 30 FEEDLO CC(=O)N[C@H]1CC[C@H](C(F)(F)F)N(Cc2c[nH+]c3ccc(C#N)cn23)C1 ZINC000492692191 561452302 /nfs/dbraw/zinc/45/23/02/561452302.db2.gz OWKBROLHZRRULG-DZGCQCFKSA-N 1 2 365.359 2.237 20 30 FEEDLO CCn1cc(CN2CC(=O)C(=C3N(C)c4ccccc4N3C)C2=[NH2+])cn1 ZINC000269876216 550232755 /nfs/dbraw/zinc/23/27/55/550232755.db2.gz WQJKCGZRMVHIOB-UHFFFAOYSA-N 1 2 350.426 2.063 20 30 FEEDLO COCC1(O)CC[NH+](CC(=O)c2cn(CCC#N)c3ccccc23)CC1 ZINC000270420435 550270950 /nfs/dbraw/zinc/27/09/50/550270950.db2.gz ZSUAYBRFILJVOD-UHFFFAOYSA-N 1 2 355.438 2.211 20 30 FEEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCN(c2cncc(F)c2)CC1 ZINC000270839111 550312528 /nfs/dbraw/zinc/31/25/28/550312528.db2.gz DVGDFDKMVJNVFQ-AWEZNQCLSA-N 1 2 353.401 2.242 20 30 FEEDLO N#Cc1ccc(CNC(=O)C[N@@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)cc1 ZINC000270849025 550313855 /nfs/dbraw/zinc/31/38/55/550313855.db2.gz HPEKYGUPXSYYRJ-KRWDZBQOSA-N 1 2 364.453 2.050 20 30 FEEDLO N#Cc1ccc(CNC(=O)C[N@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)cc1 ZINC000270849025 550313856 /nfs/dbraw/zinc/31/38/56/550313856.db2.gz HPEKYGUPXSYYRJ-KRWDZBQOSA-N 1 2 364.453 2.050 20 30 FEEDLO N#Cc1ccc(CNC(=O)C[N@@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)cc1 ZINC000270849025 550313857 /nfs/dbraw/zinc/31/38/57/550313857.db2.gz HPEKYGUPXSYYRJ-KRWDZBQOSA-N 1 2 364.453 2.050 20 30 FEEDLO N#Cc1ccc(CNC(=O)C[N@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)cc1 ZINC000270849025 550313858 /nfs/dbraw/zinc/31/38/58/550313858.db2.gz HPEKYGUPXSYYRJ-KRWDZBQOSA-N 1 2 364.453 2.050 20 30 FEEDLO COc1ccc(C[N@H+](CCS(C)(=O)=O)C2CC2)cc1OCCCC#N ZINC000271180609 550349496 /nfs/dbraw/zinc/34/94/96/550349496.db2.gz JNJFUBXVFUGJDU-UHFFFAOYSA-N 1 2 366.483 2.387 20 30 FEEDLO COc1ccc(C[N@@H+](CCS(C)(=O)=O)C2CC2)cc1OCCCC#N ZINC000271180609 550349498 /nfs/dbraw/zinc/34/94/98/550349498.db2.gz JNJFUBXVFUGJDU-UHFFFAOYSA-N 1 2 366.483 2.387 20 30 FEEDLO N#Cc1ccc(N2CCC[C@@H]([NH+]3CCC(O)(C(F)(F)F)CC3)C2=O)cc1 ZINC000272479445 550451983 /nfs/dbraw/zinc/45/19/83/550451983.db2.gz LYDHKUDBRKXYNU-OAHLLOKOSA-N 1 2 367.371 2.443 20 30 FEEDLO CC1(C#N)CCN(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000272674539 550464432 /nfs/dbraw/zinc/46/44/32/550464432.db2.gz QKNLJNCYYUHZOQ-SFHVURJKSA-N 1 2 356.470 2.223 20 30 FEEDLO CC1(C#N)CCN(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000272674539 550464433 /nfs/dbraw/zinc/46/44/33/550464433.db2.gz QKNLJNCYYUHZOQ-SFHVURJKSA-N 1 2 356.470 2.223 20 30 FEEDLO C#CC[N@@H+](CC(=O)NCCc1ccc(OC(F)F)c(OC)c1)C1CC1 ZINC000274130538 550524540 /nfs/dbraw/zinc/52/45/40/550524540.db2.gz IGRAIDHYRZDDAG-UHFFFAOYSA-N 1 2 352.381 2.053 20 30 FEEDLO C#CC[N@H+](CC(=O)NCCc1ccc(OC(F)F)c(OC)c1)C1CC1 ZINC000274130538 550524541 /nfs/dbraw/zinc/52/45/41/550524541.db2.gz IGRAIDHYRZDDAG-UHFFFAOYSA-N 1 2 352.381 2.053 20 30 FEEDLO C#CC[N@@H+](Cc1nc2cc(S(=O)(=O)N(C)C)ccc2n1CCC)C1CC1 ZINC000274227662 550528592 /nfs/dbraw/zinc/52/85/92/550528592.db2.gz WFNFHLNQYADTLK-UHFFFAOYSA-N 1 2 374.510 2.294 20 30 FEEDLO C#CC[N@H+](Cc1nc2cc(S(=O)(=O)N(C)C)ccc2n1CCC)C1CC1 ZINC000274227662 550528594 /nfs/dbraw/zinc/52/85/94/550528594.db2.gz WFNFHLNQYADTLK-UHFFFAOYSA-N 1 2 374.510 2.294 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Nc1cccc(-c2cc[nH]n2)c1 ZINC000274494399 550540825 /nfs/dbraw/zinc/54/08/25/550540825.db2.gz RMTOBAYOUSYWKK-UHFFFAOYSA-N 1 2 368.441 2.156 20 30 FEEDLO C[C@@H]([NH2+]CC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1nncn1C ZINC000275237119 550571176 /nfs/dbraw/zinc/57/11/76/550571176.db2.gz WPHIOQALSVVBMG-QWHCGFSZSA-N 1 2 358.471 2.499 20 30 FEEDLO COC(=O)[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2SCC#N)C[C@@H]1C ZINC000276387984 550578539 /nfs/dbraw/zinc/57/85/39/550578539.db2.gz HVOMEFONWQSJCS-UONOGXRCSA-N 1 2 361.467 2.372 20 30 FEEDLO COC(=O)[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2SCC#N)C[C@@H]1C ZINC000276387984 550578541 /nfs/dbraw/zinc/57/85/41/550578541.db2.gz HVOMEFONWQSJCS-UONOGXRCSA-N 1 2 361.467 2.372 20 30 FEEDLO CCOC1CC(CNc2ccc([N+](=O)[O-])cc2C#N)([NH+]2CCOCC2)C1 ZINC000277506738 550678902 /nfs/dbraw/zinc/67/89/02/550678902.db2.gz BHVOIQYYWZCLTG-UHFFFAOYSA-N 1 2 360.414 2.148 20 30 FEEDLO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000278842640 550827994 /nfs/dbraw/zinc/82/79/94/550827994.db2.gz FAFFYBSHQQFQCS-YUMQZZPRSA-N 1 2 350.366 2.213 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2C[C@@H](C)O[C@@]3(CCOC3)C2)c1 ZINC000280271949 550975523 /nfs/dbraw/zinc/97/55/23/550975523.db2.gz CVPUCOULWQAFFP-NQIIRXRSSA-N 1 2 371.481 2.430 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2C[C@@H](C)O[C@@]3(CCOC3)C2)c1 ZINC000280271949 550975524 /nfs/dbraw/zinc/97/55/24/550975524.db2.gz CVPUCOULWQAFFP-NQIIRXRSSA-N 1 2 371.481 2.430 20 30 FEEDLO C=C(C)CN(CC)C(=O)C[NH2+][C@@H](c1ccc(C)cc1)[C@H](C)S(C)(=O)=O ZINC000280896509 551043527 /nfs/dbraw/zinc/04/35/27/551043527.db2.gz QRIWFYRTJZSQMB-QFBILLFUSA-N 1 2 366.527 2.483 20 30 FEEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+](C)[C@@H]1CCN(CC=C)C1=O ZINC000281243676 551077418 /nfs/dbraw/zinc/07/74/18/551077418.db2.gz GHJXTODHHMFZRD-NVXWUHKLSA-N 1 2 361.511 2.370 20 30 FEEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+](C)[C@@H]1CCN(CC=C)C1=O ZINC000281243676 551077420 /nfs/dbraw/zinc/07/74/20/551077420.db2.gz GHJXTODHHMFZRD-NVXWUHKLSA-N 1 2 361.511 2.370 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C(=O)Nc2cccc3ncccc32)C1=O ZINC000281384079 551090759 /nfs/dbraw/zinc/09/07/59/551090759.db2.gz PIAQAOGEXHVSAG-KDOFPFPSSA-N 1 2 352.438 2.281 20 30 FEEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)C(=O)Nc2cccc3ncccc32)C1=O ZINC000281384079 551090761 /nfs/dbraw/zinc/09/07/61/551090761.db2.gz PIAQAOGEXHVSAG-KDOFPFPSSA-N 1 2 352.438 2.281 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1=O ZINC000281455895 551099544 /nfs/dbraw/zinc/09/95/44/551099544.db2.gz VADTWFQTGZZBJH-LRDDRELGSA-N 1 2 360.845 2.257 20 30 FEEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1=O ZINC000281455895 551099545 /nfs/dbraw/zinc/09/95/45/551099545.db2.gz VADTWFQTGZZBJH-LRDDRELGSA-N 1 2 360.845 2.257 20 30 FEEDLO CC[N@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@H]1CCNC1=O ZINC000281511832 551107096 /nfs/dbraw/zinc/10/70/96/551107096.db2.gz ABXRNHZKAJPQTF-AWEZNQCLSA-N 1 2 360.483 2.038 20 30 FEEDLO CC[N@@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@H]1CCNC1=O ZINC000281511832 551107098 /nfs/dbraw/zinc/10/70/98/551107098.db2.gz ABXRNHZKAJPQTF-AWEZNQCLSA-N 1 2 360.483 2.038 20 30 FEEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000281824489 551145490 /nfs/dbraw/zinc/14/54/90/551145490.db2.gz PJLYKWYTJGFAFD-NVXWUHKLSA-N 1 2 368.437 2.123 20 30 FEEDLO CN(CC(C)(C)C#N)C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000497354666 561499156 /nfs/dbraw/zinc/49/91/56/561499156.db2.gz KMFIRWBZFBSMJG-INIZCTEOSA-N 1 2 359.474 2.025 20 30 FEEDLO CN(CC(C)(C)C#N)C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000497354666 561499157 /nfs/dbraw/zinc/49/91/57/561499157.db2.gz KMFIRWBZFBSMJG-INIZCTEOSA-N 1 2 359.474 2.025 20 30 FEEDLO CC(=O)N1CCC[N@H+](CC(=O)N(CCC#N)c2ccc(C)c(C)c2)CC1 ZINC000282061077 551175527 /nfs/dbraw/zinc/17/55/27/551175527.db2.gz ASALNYAZNQQHML-UHFFFAOYSA-N 1 2 356.470 2.104 20 30 FEEDLO CC(=O)N1CCC[N@@H+](CC(=O)N(CCC#N)c2ccc(C)c(C)c2)CC1 ZINC000282061077 551175529 /nfs/dbraw/zinc/17/55/29/551175529.db2.gz ASALNYAZNQQHML-UHFFFAOYSA-N 1 2 356.470 2.104 20 30 FEEDLO CC[N@H+](CC(=O)Nc1ccccc1S[C@H](C)CC#N)[C@@H]1CCNC1=O ZINC000282375118 551219834 /nfs/dbraw/zinc/21/98/34/551219834.db2.gz ODNBOUYLPZUMRZ-UKRRQHHQSA-N 1 2 360.483 2.230 20 30 FEEDLO CC[N@@H+](CC(=O)Nc1ccccc1S[C@H](C)CC#N)[C@@H]1CCNC1=O ZINC000282375118 551219836 /nfs/dbraw/zinc/21/98/36/551219836.db2.gz ODNBOUYLPZUMRZ-UKRRQHHQSA-N 1 2 360.483 2.230 20 30 FEEDLO C=C(C)Cn1c([C@@H](C)CC)nnc1N1CC[NH+](CC(=O)NC(C)C)CC1 ZINC000283390647 551358578 /nfs/dbraw/zinc/35/85/78/551358578.db2.gz VTYYJASJHOBMIV-INIZCTEOSA-N 1 2 362.522 2.014 20 30 FEEDLO C=C(C)Cn1c([C@H](C)CC)nnc1N1CC[NH+](CC(=O)NC(C)C)CC1 ZINC000283390651 551358694 /nfs/dbraw/zinc/35/86/94/551358694.db2.gz VTYYJASJHOBMIV-MRXNPFEDSA-N 1 2 362.522 2.014 20 30 FEEDLO Cc1cc(S(=O)(=O)N[C@@H](c2[nH+]ccn2C)C2CCOCC2)ccc1C#N ZINC000284420465 551545323 /nfs/dbraw/zinc/54/53/23/551545323.db2.gz CIZCIKPCTMSOLN-QGZVFWFLSA-N 1 2 374.466 2.046 20 30 FEEDLO C[C@H]1CCSCC[N@@H+]1CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000285077061 551700917 /nfs/dbraw/zinc/70/09/17/551700917.db2.gz PLXSFUYJYRSASQ-GXTWGEPZSA-N 1 2 356.451 2.339 20 30 FEEDLO C[C@H]1CCSCC[N@H+]1CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000285077061 551700918 /nfs/dbraw/zinc/70/09/18/551700918.db2.gz PLXSFUYJYRSASQ-GXTWGEPZSA-N 1 2 356.451 2.339 20 30 FEEDLO Cc1cc(C#N)ccc1S(=O)(=O)N[C@H](c1[nH+]ccn1C)C1CCOCC1 ZINC000285259620 551727771 /nfs/dbraw/zinc/72/77/71/551727771.db2.gz ZOSGUAXSDUJBRH-KRWDZBQOSA-N 1 2 374.466 2.046 20 30 FEEDLO Cc1oc(NC(=O)C[N@@H+]2CCC[C@](O)(C(F)(F)F)CC2)c(C#N)c1C ZINC000285355017 551743078 /nfs/dbraw/zinc/74/30/78/551743078.db2.gz ABDYBMNRABJJMY-OAHLLOKOSA-N 1 2 359.348 2.486 20 30 FEEDLO Cc1oc(NC(=O)C[N@H+]2CCC[C@](O)(C(F)(F)F)CC2)c(C#N)c1C ZINC000285355017 551743079 /nfs/dbraw/zinc/74/30/79/551743079.db2.gz ABDYBMNRABJJMY-OAHLLOKOSA-N 1 2 359.348 2.486 20 30 FEEDLO CCOc1ccc(O)c(/C=[NH+]/C[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)c1 ZINC000285434238 551756074 /nfs/dbraw/zinc/75/60/74/551756074.db2.gz OZYXTGPBOFGIIQ-LFGMUVATSA-N 1 2 354.472 2.318 20 30 FEEDLO Cc1[nH+]c2ccccc2n1C1CCN(C(=O)C(=O)NCCCCC#N)CC1 ZINC000286828018 551930563 /nfs/dbraw/zinc/93/05/63/551930563.db2.gz XUMAVZSWAARLNJ-UHFFFAOYSA-N 1 2 367.453 2.318 20 30 FEEDLO CNC(=O)OC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000287116793 551965720 /nfs/dbraw/zinc/96/57/20/551965720.db2.gz YUMKWYXMICDLNO-AWEZNQCLSA-N 1 2 364.833 2.361 20 30 FEEDLO CNC(=O)OC[C@@H]1CCCC[N@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000287116793 551965722 /nfs/dbraw/zinc/96/57/22/551965722.db2.gz YUMKWYXMICDLNO-AWEZNQCLSA-N 1 2 364.833 2.361 20 30 FEEDLO Cc1ccc(C#N)c(N2CC[NH+]([C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)n1 ZINC000288124522 552095571 /nfs/dbraw/zinc/09/55/71/552095571.db2.gz DDIFJNSICSJQMM-KRWDZBQOSA-N 1 2 371.485 2.393 20 30 FEEDLO Cc1onc(CC(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2F)c1C#N ZINC000499604660 561554530 /nfs/dbraw/zinc/55/45/30/561554530.db2.gz NHSZCBUYUQGZQB-QGZVFWFLSA-N 1 2 353.357 2.176 20 30 FEEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@@]2(Cc2ccccc2)C(=O)OCC)C1=O ZINC000499704817 561556711 /nfs/dbraw/zinc/55/67/11/561556711.db2.gz AXJXRQKUBVZGOI-GHTZIAJQSA-N 1 2 356.466 2.414 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@@]2(Cc2ccccc2)C(=O)OCC)C1=O ZINC000499704817 561556712 /nfs/dbraw/zinc/55/67/12/561556712.db2.gz AXJXRQKUBVZGOI-GHTZIAJQSA-N 1 2 356.466 2.414 20 30 FEEDLO C=CCN1CC[C@H]([NH+]2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)C1=O ZINC000499770752 561558119 /nfs/dbraw/zinc/55/81/19/561558119.db2.gz GSUCBBCTBQXUNN-ROUUACIJSA-N 1 2 358.873 2.309 20 30 FEEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)Nc2ccc(C(F)(F)F)cc2)C1=O ZINC000500018882 561564217 /nfs/dbraw/zinc/56/42/17/561564217.db2.gz XPPOOQZCABBMGW-CQSZACIVSA-N 1 2 355.360 2.363 20 30 FEEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccc(C(F)(F)F)cc2)C1=O ZINC000500018882 561564218 /nfs/dbraw/zinc/56/42/18/561564218.db2.gz XPPOOQZCABBMGW-CQSZACIVSA-N 1 2 355.360 2.363 20 30 FEEDLO C=CCN(Cc1cccs1)C(=O)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000500301318 561569813 /nfs/dbraw/zinc/56/98/13/561569813.db2.gz YISNVNFZARPSDD-UHFFFAOYSA-N 1 2 354.435 2.227 20 30 FEEDLO CC[C@H]1CN(S(=O)(=O)c2cncc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000289426368 552319389 /nfs/dbraw/zinc/31/93/89/552319389.db2.gz IMZKHJMLLVTVNT-SFHVURJKSA-N 1 2 370.478 2.238 20 30 FEEDLO CC[C@H]1CN(S(=O)(=O)c2cncc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000289426368 552319392 /nfs/dbraw/zinc/31/93/92/552319392.db2.gz IMZKHJMLLVTVNT-SFHVURJKSA-N 1 2 370.478 2.238 20 30 FEEDLO COc1cccc(OC)c1OCCCCO[NH+]=C(N)C(C)(C)NC(C)=O ZINC000289488411 552329580 /nfs/dbraw/zinc/32/95/80/552329580.db2.gz YRJZRAFLKCMMLU-UHFFFAOYSA-N 1 2 367.446 2.066 20 30 FEEDLO N#Cc1cnc2c(F)cc(F)cc2c1N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000500430069 561572821 /nfs/dbraw/zinc/57/28/21/561572821.db2.gz FZLXEMIURDTLPA-UHFFFAOYSA-N 1 2 354.364 2.430 20 30 FEEDLO Cc1cc[nH+]cc1N1CCN(C(=O)[C@H](C#N)Cc2ccc(C#N)cc2)CC1 ZINC000500663194 561578991 /nfs/dbraw/zinc/57/89/91/561578991.db2.gz IXBMPNSCDBNRNN-IBGZPJMESA-N 1 2 359.433 2.293 20 30 FEEDLO Cc1cc[nH+]cc1N1CCN(C(=O)[C@H](C)Oc2ccc(C#N)cc2)CC1 ZINC000500674553 561579154 /nfs/dbraw/zinc/57/91/54/561579154.db2.gz CZVCJEWUGOMCHJ-INIZCTEOSA-N 1 2 350.422 2.378 20 30 FEEDLO C=CCNC(=O)CN1CC[NH+](Cc2cccc(C(=O)OC(C)(C)C)c2)CC1 ZINC000500938879 561586004 /nfs/dbraw/zinc/58/60/04/561586004.db2.gz QSPJDCVSJPGFRA-UHFFFAOYSA-N 1 2 373.497 2.062 20 30 FEEDLO C=C[C@](C)(O)CC(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000290796685 552539749 /nfs/dbraw/zinc/53/97/49/552539749.db2.gz UFJGZMOBLLZCEO-INIZCTEOSA-N 1 2 366.259 2.391 20 30 FEEDLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000290807778 552541860 /nfs/dbraw/zinc/54/18/60/552541860.db2.gz FCPUUAQADKLPTO-RDTXWAMCSA-N 1 2 366.421 2.148 20 30 FEEDLO COCCC[N@H+]1Cc2cccc(NS(=O)(=O)c3cncc(C#N)c3)c2C1 ZINC000290946020 552566507 /nfs/dbraw/zinc/56/65/07/552566507.db2.gz MCZRTPVLBAWLQC-UHFFFAOYSA-N 1 2 372.450 2.106 20 30 FEEDLO Cc1nc(Nc2ccc(N3CCN(C(=O)C4CC4)CC3)[nH+]c2)ccc1C#N ZINC000291643808 552646732 /nfs/dbraw/zinc/64/67/32/552646732.db2.gz MXQZDALVSRYTQA-UHFFFAOYSA-N 1 2 362.437 2.459 20 30 FEEDLO Cc1nn2c(C[N@@H+]3CC[C@@H](Oc4ccc(C#N)cn4)C3)c(C)nc2s1 ZINC000292730273 552753201 /nfs/dbraw/zinc/75/32/01/552753201.db2.gz GDZGLSOVJHQBMO-CQSZACIVSA-N 1 2 354.439 2.328 20 30 FEEDLO Cc1nn2c(C[N@H+]3CC[C@@H](Oc4ccc(C#N)cn4)C3)c(C)nc2s1 ZINC000292730273 552753203 /nfs/dbraw/zinc/75/32/03/552753203.db2.gz GDZGLSOVJHQBMO-CQSZACIVSA-N 1 2 354.439 2.328 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[NH+]2CCC(F)(c3ccccn3)CC2)nc1 ZINC000295402602 553000752 /nfs/dbraw/zinc/00/07/52/553000752.db2.gz SARZFIWSFSRDLD-UHFFFAOYSA-N 1 2 374.441 2.083 20 30 FEEDLO C=CCn1c([C@@H]2CCCO2)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC000295913060 553074768 /nfs/dbraw/zinc/07/47/68/553074768.db2.gz JJEBRYBIVCUGEH-INIZCTEOSA-N 1 2 374.514 2.403 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Nc1ccc(C2CCC2)cn1 ZINC000296890727 553225806 /nfs/dbraw/zinc/22/58/06/553225806.db2.gz HANGNNJTUASDEP-UHFFFAOYSA-N 1 2 357.458 2.429 20 30 FEEDLO Cc1oc(NC(=O)C[N@H+](C)CCNC(=O)OC(C)(C)C)c(C#N)c1C ZINC000297492710 553299684 /nfs/dbraw/zinc/29/96/84/553299684.db2.gz UCHIGFFSPNWMKR-UHFFFAOYSA-N 1 2 350.419 2.163 20 30 FEEDLO Cc1oc(NC(=O)C[N@@H+](C)CCNC(=O)OC(C)(C)C)c(C#N)c1C ZINC000297492710 553299685 /nfs/dbraw/zinc/29/96/85/553299685.db2.gz UCHIGFFSPNWMKR-UHFFFAOYSA-N 1 2 350.419 2.163 20 30 FEEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)[C@@H](C)OCc2ccc(C)cc2)c1C#N ZINC000600815826 553318304 /nfs/dbraw/zinc/31/83/04/553318304.db2.gz ZYPNPQCILHWATL-CQSZACIVSA-N 1 2 355.442 2.286 20 30 FEEDLO C=CCCCN(C)C(=O)C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000297683290 553324508 /nfs/dbraw/zinc/32/45/08/553324508.db2.gz GQOIRFNBNJRNLO-INIZCTEOSA-N 1 2 358.486 2.350 20 30 FEEDLO C[C@H]1CN(c2ccc(CNc3cc(C#N)nc(C4CC4)n3)c[nH+]2)CCO1 ZINC000601104775 553347870 /nfs/dbraw/zinc/34/78/70/553347870.db2.gz GOJLPFYADZVWLK-ZDUSSCGKSA-N 1 2 350.426 2.458 20 30 FEEDLO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CCn2c[nH+]cc2C1 ZINC000297915523 553356723 /nfs/dbraw/zinc/35/67/23/553356723.db2.gz SVEVGPXFJQOQIZ-UHFFFAOYSA-N 1 2 364.858 2.155 20 30 FEEDLO COc1ccc(C[N@H+](C)CC(=O)NCc2ccc(C#N)cc2)c(OC)c1 ZINC000298454075 553426636 /nfs/dbraw/zinc/42/66/36/553426636.db2.gz IMNUZECVODGGDD-UHFFFAOYSA-N 1 2 353.422 2.324 20 30 FEEDLO COc1ccc(C[N@@H+](C)CC(=O)NCc2ccc(C#N)cc2)c(OC)c1 ZINC000298454075 553426637 /nfs/dbraw/zinc/42/66/37/553426637.db2.gz IMNUZECVODGGDD-UHFFFAOYSA-N 1 2 353.422 2.324 20 30 FEEDLO CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000503623909 561645696 /nfs/dbraw/zinc/64/56/96/561645696.db2.gz BUFYYMQZSHMVHM-IFXJQAMLSA-N 1 2 358.442 2.038 20 30 FEEDLO C[C@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)C1 ZINC000301142426 553625367 /nfs/dbraw/zinc/62/53/67/553625367.db2.gz JCMBKUJTQVBEFJ-HOTGVXAUSA-N 1 2 358.461 2.324 20 30 FEEDLO N#Cc1nccnc1N1CCC[N@@H+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000301488681 553655130 /nfs/dbraw/zinc/65/51/30/553655130.db2.gz JUXRJDYVRNDACX-UHFFFAOYSA-N 1 2 367.844 2.362 20 30 FEEDLO N#Cc1nccnc1N1CCC[N@H+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000301488681 553655134 /nfs/dbraw/zinc/65/51/34/553655134.db2.gz JUXRJDYVRNDACX-UHFFFAOYSA-N 1 2 367.844 2.362 20 30 FEEDLO N#Cc1c(N)n(-c2ccccc2)nc1CCCNc1nc[nH+]c(N)c1Cl ZINC000302805473 553734031 /nfs/dbraw/zinc/73/40/31/553734031.db2.gz WSJZSLQHDKVIOG-UHFFFAOYSA-N 1 2 368.832 2.396 20 30 FEEDLO N#Cc1c(N)n(-c2ccccc2)nc1CCCNc1[nH+]cnc(N)c1Cl ZINC000302805473 553734033 /nfs/dbraw/zinc/73/40/33/553734033.db2.gz WSJZSLQHDKVIOG-UHFFFAOYSA-N 1 2 368.832 2.396 20 30 FEEDLO C[N@@H+]1CCc2nc(NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)sc2C1 ZINC000505481597 561671730 /nfs/dbraw/zinc/67/17/30/561671730.db2.gz VEUIFPSZGQLFJS-KRWDZBQOSA-N 1 2 364.471 2.331 20 30 FEEDLO C[N@H+]1CCc2nc(NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)sc2C1 ZINC000505481597 561671731 /nfs/dbraw/zinc/67/17/31/561671731.db2.gz VEUIFPSZGQLFJS-KRWDZBQOSA-N 1 2 364.471 2.331 20 30 FEEDLO COc1ccccc1[C@@H]1CN(C(=O)CNc2ccc(C#N)cc2)CC[NH2+]1 ZINC000505490549 561672097 /nfs/dbraw/zinc/67/20/97/561672097.db2.gz FBKHWFXWGDNYPZ-SFHVURJKSA-N 1 2 350.422 2.152 20 30 FEEDLO CC[C@@H](C#N)Oc1cc(CNc2nc3c(cnn3C)c(N)[nH+]2)ccc1OC ZINC000302876107 553739061 /nfs/dbraw/zinc/73/90/61/553739061.db2.gz FXIUHLGFFLEWNS-LBPRGKRZSA-N 1 2 367.413 2.247 20 30 FEEDLO N#Cc1ccc(N2CCC[C@@H](NC(=O)c3ccc4[nH+]ccn4c3)C2=O)cc1 ZINC000505667485 561677086 /nfs/dbraw/zinc/67/70/86/561677086.db2.gz ZRBBFVNFEMGTPJ-QGZVFWFLSA-N 1 2 359.389 2.131 20 30 FEEDLO COc1ccc(CN2CC[NH+](CC(=O)N[C@@H]3CCC[C@@H](C)C3)CC2)nn1 ZINC000328675133 553805799 /nfs/dbraw/zinc/80/57/99/553805799.db2.gz KLYOOAWMFYVJOR-HZPDHXFCSA-N 1 2 361.490 2.138 20 30 FEEDLO COc1cc(CNC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)c2ccccc2n1 ZINC000328868306 553835819 /nfs/dbraw/zinc/83/58/19/553835819.db2.gz HERVWYJIIBVFGH-MSOLQXFVSA-N 1 2 370.453 2.062 20 30 FEEDLO COc1cc(CNC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)c2ccccc2n1 ZINC000328868306 553835822 /nfs/dbraw/zinc/83/58/22/553835822.db2.gz HERVWYJIIBVFGH-MSOLQXFVSA-N 1 2 370.453 2.062 20 30 FEEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)NCCc3cccc4cccnc43)C[C@H]21 ZINC000328877332 553837287 /nfs/dbraw/zinc/83/72/87/553837287.db2.gz KOGKXKWQQUIDPU-QZTJIDSGSA-N 1 2 354.454 2.096 20 30 FEEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)NCCc3cccc4cccnc43)C[C@H]21 ZINC000328877332 553837289 /nfs/dbraw/zinc/83/72/89/553837289.db2.gz KOGKXKWQQUIDPU-QZTJIDSGSA-N 1 2 354.454 2.096 20 30 FEEDLO C[C@H](NC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1)c1ccccc1-n1cccn1 ZINC000328888877 553839105 /nfs/dbraw/zinc/83/91/05/553839105.db2.gz QKQIBHJSRJHSBJ-SNRMKQJTSA-N 1 2 369.469 2.252 20 30 FEEDLO C[C@H](NC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1)c1ccccc1-n1cccn1 ZINC000328888877 553839107 /nfs/dbraw/zinc/83/91/07/553839107.db2.gz QKQIBHJSRJHSBJ-SNRMKQJTSA-N 1 2 369.469 2.252 20 30 FEEDLO CCC1(CC)[C@H](NC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)[C@H](C)[C@@H]1OC ZINC000328888637 553839297 /nfs/dbraw/zinc/83/92/97/553839297.db2.gz QFJLNWPWPGLBGQ-NNXHMXCWSA-N 1 2 353.507 2.145 20 30 FEEDLO CCC1(CC)[C@H](NC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)[C@H](C)[C@@H]1OC ZINC000328888637 553839302 /nfs/dbraw/zinc/83/93/02/553839302.db2.gz QFJLNWPWPGLBGQ-NNXHMXCWSA-N 1 2 353.507 2.145 20 30 FEEDLO Cc1cccc(C)c1OC[C@H](C)NC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000328897738 553841063 /nfs/dbraw/zinc/84/10/63/553841063.db2.gz WHIPSAYXPOMWCF-BZSNNMDCSA-N 1 2 361.486 2.390 20 30 FEEDLO Cc1cccc(C)c1OC[C@H](C)NC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000328897738 553841064 /nfs/dbraw/zinc/84/10/64/553841064.db2.gz WHIPSAYXPOMWCF-BZSNNMDCSA-N 1 2 361.486 2.390 20 30 FEEDLO C[C@H](CC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1)NC(=O)C1CCCCC1 ZINC000328903921 553841692 /nfs/dbraw/zinc/84/16/92/553841692.db2.gz IOTIMHISOHTYKR-OIISXLGYSA-N 1 2 351.491 2.233 20 30 FEEDLO C[C@H](CC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1)NC(=O)C1CCCCC1 ZINC000328903921 553841694 /nfs/dbraw/zinc/84/16/94/553841694.db2.gz IOTIMHISOHTYKR-OIISXLGYSA-N 1 2 351.491 2.233 20 30 FEEDLO O=C(CC[N@@H+]1C[C@H](F)C[C@H]1C(=O)N1CCOCC1)Nc1ccccc1F ZINC000328939049 553849131 /nfs/dbraw/zinc/84/91/31/553849131.db2.gz DNUHUAUOINFYKH-CJNGLKHVSA-N 1 2 367.396 2.075 20 30 FEEDLO O=C(CC[N@H+]1C[C@H](F)C[C@H]1C(=O)N1CCOCC1)Nc1ccccc1F ZINC000328939049 553849136 /nfs/dbraw/zinc/84/91/36/553849136.db2.gz DNUHUAUOINFYKH-CJNGLKHVSA-N 1 2 367.396 2.075 20 30 FEEDLO C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3CCc4n[nH]nc4C3)c[nH+]2)C[C@H](C)O1 ZINC000328954877 553852617 /nfs/dbraw/zinc/85/26/17/553852617.db2.gz OOMCBDIQHLLLDY-VNHYZAJKSA-N 1 2 370.457 2.075 20 30 FEEDLO C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3CCc4n[nH]nc4C3)c[nH+]2)C[C@@H](C)O1 ZINC000328954876 553853160 /nfs/dbraw/zinc/85/31/60/553853160.db2.gz OOMCBDIQHLLLDY-UMVBOHGHSA-N 1 2 370.457 2.075 20 30 FEEDLO C[N@@H+]1CCO[C@H]2CCN(C(=O)Nc3csc(-c4ccccn4)n3)C[C@H]21 ZINC000328978024 553857202 /nfs/dbraw/zinc/85/72/02/553857202.db2.gz QOBZCQQJDUWVSW-KGLIPLIRSA-N 1 2 359.455 2.156 20 30 FEEDLO C[N@H+]1CCO[C@H]2CCN(C(=O)Nc3csc(-c4ccccn4)n3)C[C@H]21 ZINC000328978024 553857206 /nfs/dbraw/zinc/85/72/06/553857206.db2.gz QOBZCQQJDUWVSW-KGLIPLIRSA-N 1 2 359.455 2.156 20 30 FEEDLO CCn1cc[nH+]c1[C@H](NC(=O)N1CCC(OC)CC1)C1CCOCC1 ZINC000328998610 553861689 /nfs/dbraw/zinc/86/16/89/553861689.db2.gz VCHBBJXAYORLHU-MRXNPFEDSA-N 1 2 350.463 2.396 20 30 FEEDLO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(C(=O)CC[C@@H]2CCCO2)CC1 ZINC000329015499 553865243 /nfs/dbraw/zinc/86/52/43/553865243.db2.gz QDQUQJIWENJUJF-WBVHZDCISA-N 1 2 351.491 2.377 20 30 FEEDLO C[C@@H]1CCC[C@H]1NC(=O)N[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C ZINC000329115807 553883172 /nfs/dbraw/zinc/88/31/72/553883172.db2.gz IILNEIFNTRXRLF-SCFUHWHPSA-N 1 2 359.474 2.307 20 30 FEEDLO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)N[C@@H]1CCO[C@]3(CCOC3)C1)C2 ZINC000329118826 553883881 /nfs/dbraw/zinc/88/38/81/553883881.db2.gz OTYYDTMIXDLPTF-AUUYWEPGSA-N 1 2 362.474 2.154 20 30 FEEDLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)N[C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000329121270 553884355 /nfs/dbraw/zinc/88/43/55/553884355.db2.gz QJDXVCPLCPXCFB-QUCCMNQESA-N 1 2 370.453 2.273 20 30 FEEDLO Cc1nn(C)c(C)c1NC(=O)[C@H](C)N1CC[NH+](Cc2ccccn2)CC1 ZINC000329147589 553889164 /nfs/dbraw/zinc/88/91/64/553889164.db2.gz PCFLZRUFTNIDEW-INIZCTEOSA-N 1 2 356.474 2.226 20 30 FEEDLO Cc1cccc2[nH+]c(CNC(=O)N[C@H]3CCOC4(CCOCC4)C3)cn21 ZINC000329229202 553907144 /nfs/dbraw/zinc/90/71/44/553907144.db2.gz CKHFVDXIIRUFMT-HNNXBMFYSA-N 1 2 358.442 2.375 20 30 FEEDLO Cn1c[nH+]cc1[C@H]1[C@H](NC(=O)N2CCC=C(F)C2)CCC(=O)N1C1CC1 ZINC000329262442 553913783 /nfs/dbraw/zinc/91/37/83/553913783.db2.gz BFRIJYXJOOJSJA-RHSMWYFYSA-N 1 2 361.421 2.088 20 30 FEEDLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)COc1cccc2c1OC(C)(C)C2 ZINC000329313432 553923439 /nfs/dbraw/zinc/92/34/39/553923439.db2.gz QBODLBJYUMNNQS-HNNXBMFYSA-N 1 2 361.486 2.371 20 30 FEEDLO CC(C)(C)C(=O)NC[C@H]1CCCN(C(=O)C2([NH+]3CCOCC3)CCC2)C1 ZINC000329338588 553928070 /nfs/dbraw/zinc/92/80/70/553928070.db2.gz QOPFDTOPEUSUQY-MRXNPFEDSA-N 1 2 365.518 2.483 20 30 FEEDLO CC(C)CCNC(=O)[C@@H]1CSCN1C(=O)[C@@H](C)[NH+]1CCSCC1 ZINC000329355511 553930608 /nfs/dbraw/zinc/93/06/08/553930608.db2.gz FOHHFKFCYQFVLD-KGLIPLIRSA-N 1 2 359.561 2.328 20 30 FEEDLO O=C(N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000329362345 553932060 /nfs/dbraw/zinc/93/20/60/553932060.db2.gz YYADSILCUCGBOP-SQNIBIBYSA-N 1 2 363.502 2.235 20 30 FEEDLO O=C(N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000329362345 553932062 /nfs/dbraw/zinc/93/20/62/553932062.db2.gz YYADSILCUCGBOP-SQNIBIBYSA-N 1 2 363.502 2.235 20 30 FEEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)CCC(=O)N1CCOCC1)C2 ZINC000329394995 553938341 /nfs/dbraw/zinc/93/83/41/553938341.db2.gz VKVDAKPTTJFRFH-CQSZACIVSA-N 1 2 362.474 2.091 20 30 FEEDLO Cc1nnc([C@@H]2CCC[N@H+](CC(=O)NC[C@@H]3Cc4ccccc4O3)C2)[nH]1 ZINC000329425804 553944671 /nfs/dbraw/zinc/94/46/71/553944671.db2.gz GXCJHJLPBMVFQS-CVEARBPZSA-N 1 2 355.442 2.253 20 30 FEEDLO Cc1nnc([C@@H]2CCC[N@@H+](CC(=O)NC[C@@H]3Cc4ccccc4O3)C2)[nH]1 ZINC000329425804 553944675 /nfs/dbraw/zinc/94/46/75/553944675.db2.gz GXCJHJLPBMVFQS-CVEARBPZSA-N 1 2 355.442 2.253 20 30 FEEDLO Cc1n[nH]c([C@@H]2CCC[N@H+](CC(=O)NC[C@@H]3Cc4ccccc4O3)C2)n1 ZINC000329425804 553944679 /nfs/dbraw/zinc/94/46/79/553944679.db2.gz GXCJHJLPBMVFQS-CVEARBPZSA-N 1 2 355.442 2.253 20 30 FEEDLO Cc1n[nH]c([C@@H]2CCC[N@@H+](CC(=O)NC[C@@H]3Cc4ccccc4O3)C2)n1 ZINC000329425804 553944683 /nfs/dbraw/zinc/94/46/83/553944683.db2.gz GXCJHJLPBMVFQS-CVEARBPZSA-N 1 2 355.442 2.253 20 30 FEEDLO CCn1cc[nH+]c1[C@H](NC(=O)N1CCO[C@H](C)[C@@H]1C)C1CCOCC1 ZINC000329430563 553945009 /nfs/dbraw/zinc/94/50/09/553945009.db2.gz HOYXQZJDWWNRTC-SQWLQELKSA-N 1 2 350.463 2.394 20 30 FEEDLO Cc1cc(C)nc(-n2cc(C(=O)NC[C@@H]3C[N@H+](C)CCO3)c(C(C)C)n2)n1 ZINC000329609959 553976210 /nfs/dbraw/zinc/97/62/10/553976210.db2.gz JEDIAMLUWAAORQ-OAHLLOKOSA-N 1 2 372.473 2.038 20 30 FEEDLO Cc1cc(C)nc(-n2cc(C(=O)NC[C@@H]3C[N@@H+](C)CCO3)c(C(C)C)n2)n1 ZINC000329609959 553976211 /nfs/dbraw/zinc/97/62/11/553976211.db2.gz JEDIAMLUWAAORQ-OAHLLOKOSA-N 1 2 372.473 2.038 20 30 FEEDLO Cc1cc2c(cc1NC(=O)N1CC[NH+]([C@H](C)C(=O)NC3CC3)CC1)OCO2 ZINC000329695879 553990710 /nfs/dbraw/zinc/99/07/10/553990710.db2.gz DHOPWWHLDOVMAZ-CYBMUJFWSA-N 1 2 374.441 2.394 20 30 FEEDLO CCn1cc[nH+]c1[C@H](NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)C1CCOCC1 ZINC000329720830 553994914 /nfs/dbraw/zinc/99/49/14/553994914.db2.gz MWOPCWUQUXUSDY-MWDXBVQZSA-N 1 2 363.458 2.379 20 30 FEEDLO O=C(Cn1cc(C(=O)N2CCn3cc[nH+]c3C2)cn1)NC1CCCCC1 ZINC000329897942 554026746 /nfs/dbraw/zinc/02/67/46/554026746.db2.gz DJXXKACAXPYJHV-UHFFFAOYSA-N 1 2 356.430 2.025 20 30 FEEDLO Cc1cc(C[N@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)NC[C@@]2(C)CCCO2)on1 ZINC000329917194 554031276 /nfs/dbraw/zinc/03/12/76/554031276.db2.gz QSKKYBXSWVWXQG-RLFYNMQTSA-N 1 2 368.453 2.310 20 30 FEEDLO Cc1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)NC[C@@]2(C)CCCO2)on1 ZINC000329917194 554031278 /nfs/dbraw/zinc/03/12/78/554031278.db2.gz QSKKYBXSWVWXQG-RLFYNMQTSA-N 1 2 368.453 2.310 20 30 FEEDLO Cc1nn(-c2ccccc2)c(C)c1NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000329919609 554031891 /nfs/dbraw/zinc/03/18/91/554031891.db2.gz RUFUJUNSVTYQEI-SJORKVTESA-N 1 2 355.442 2.049 20 30 FEEDLO Cc1nn(-c2ccccc2)c(C)c1NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000329919609 554031894 /nfs/dbraw/zinc/03/18/94/554031894.db2.gz RUFUJUNSVTYQEI-SJORKVTESA-N 1 2 355.442 2.049 20 30 FEEDLO C[C@H]1OCC[C@]12C[N@H+](CC(=O)Nc1ccc3c(c1)OCCCO3)CCO2 ZINC000329925992 554033145 /nfs/dbraw/zinc/03/31/45/554033145.db2.gz VWYYIRMOGOKVFX-KUHUBIRLSA-N 1 2 362.426 2.316 20 30 FEEDLO C[C@H]1OCC[C@]12C[N@@H+](CC(=O)Nc1ccc3c(c1)OCCCO3)CCO2 ZINC000329925992 554033146 /nfs/dbraw/zinc/03/31/46/554033146.db2.gz VWYYIRMOGOKVFX-KUHUBIRLSA-N 1 2 362.426 2.316 20 30 FEEDLO C[C@@H]1C[N@H+](CC(=O)NC(=O)Nc2ccc3c(c2)OCO3)C[C@H](C2CC2)O1 ZINC000329929010 554033578 /nfs/dbraw/zinc/03/35/78/554033578.db2.gz YKQIYPXNUATTLW-BDJLRTHQSA-N 1 2 361.398 2.417 20 30 FEEDLO C[C@@H]1C[N@@H+](CC(=O)NC(=O)Nc2ccc3c(c2)OCO3)C[C@H](C2CC2)O1 ZINC000329929010 554033582 /nfs/dbraw/zinc/03/35/82/554033582.db2.gz YKQIYPXNUATTLW-BDJLRTHQSA-N 1 2 361.398 2.417 20 30 FEEDLO CCO[C@@H]1C[C@@H](NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)C12CCOCC2 ZINC000329938477 554035425 /nfs/dbraw/zinc/03/54/25/554035425.db2.gz AJUXCMFMLWKGCV-IAGOWNOFSA-N 1 2 362.474 2.477 20 30 FEEDLO CCO[C@@H]1C[C@@H](NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)C12CCOCC2 ZINC000329938477 554035426 /nfs/dbraw/zinc/03/54/26/554035426.db2.gz AJUXCMFMLWKGCV-IAGOWNOFSA-N 1 2 362.474 2.477 20 30 FEEDLO COc1ccccc1[C@H](CNS(=O)(=O)Cc1cccc(C#N)c1)[NH+](C)C ZINC000507386159 561727573 /nfs/dbraw/zinc/72/75/73/561727573.db2.gz UMMMGLDATKPGRH-SFHVURJKSA-N 1 2 373.478 2.289 20 30 FEEDLO O=C(NCc1ccc(N2CCCC2)[nH+]c1)N[C@H]1CCOC2(CCOCC2)C1 ZINC000330250793 554093025 /nfs/dbraw/zinc/09/30/25/554093025.db2.gz HCJABYJQRPOZQG-KRWDZBQOSA-N 1 2 374.485 2.414 20 30 FEEDLO C[C@H](c1ccc(F)cc1F)N1CC[NH+]([C@@H](C)C(=O)N(C)CCC#N)CC1 ZINC000507772499 561740243 /nfs/dbraw/zinc/74/02/43/561740243.db2.gz YXDTVSIQFCHAOM-CABCVRRESA-N 1 2 364.440 2.404 20 30 FEEDLO CCn1cc([C@H]2OCC[C@@H]2NC(=O)NCCc2cn3c([nH+]2)CCCC3)cn1 ZINC000330338944 554107980 /nfs/dbraw/zinc/10/79/80/554107980.db2.gz WBQDTZKMTFUFDC-FUHWJXTLSA-N 1 2 372.473 2.012 20 30 FEEDLO CC(C)NC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2noc(C(C)C)n2)C1 ZINC000330499654 554129810 /nfs/dbraw/zinc/12/98/10/554129810.db2.gz KDZFTQRQIDUFGT-STQMWFEESA-N 1 2 351.451 2.200 20 30 FEEDLO CC(C)NC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H](c2noc(C(C)C)n2)C1 ZINC000330499654 554129811 /nfs/dbraw/zinc/12/98/11/554129811.db2.gz KDZFTQRQIDUFGT-STQMWFEESA-N 1 2 351.451 2.200 20 30 FEEDLO C=CCOc1ccc(CNC(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)cc1 ZINC000508459314 561762732 /nfs/dbraw/zinc/76/27/32/561762732.db2.gz USEZKIZQQAPNBH-UHFFFAOYSA-N 1 2 355.442 2.002 20 30 FEEDLO C=CCn1c(-c2sccc2C)nnc1N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000508498809 561763767 /nfs/dbraw/zinc/76/37/67/561763767.db2.gz VFAGXLUUQTWZJC-HNNXBMFYSA-N 1 2 359.499 2.412 20 30 FEEDLO CSc1[nH]c(=O)c(C(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1C#N ZINC000508776885 561772593 /nfs/dbraw/zinc/77/25/93/561772593.db2.gz AYFFZFATCBJEKI-XQQFMLRXSA-N 1 2 362.499 2.477 20 30 FEEDLO CSc1[nH]c(=O)c(C(=O)N[C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1C#N ZINC000508776885 561772594 /nfs/dbraw/zinc/77/25/94/561772594.db2.gz AYFFZFATCBJEKI-XQQFMLRXSA-N 1 2 362.499 2.477 20 30 FEEDLO C=CCN(Cc1cccs1)C(=O)C(=O)NCc1[nH+]ccn1CC(C)C ZINC000508803180 561773318 /nfs/dbraw/zinc/77/33/18/561773318.db2.gz SZAXYWLZLWCXEA-UHFFFAOYSA-N 1 2 360.483 2.432 20 30 FEEDLO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCNC(=O)C3(C)C)sc2C1 ZINC000331930759 554348038 /nfs/dbraw/zinc/34/80/38/554348038.db2.gz LIWYFWMVYXKBSE-GFCCVEGCSA-N 1 2 374.510 2.284 20 30 FEEDLO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCNC(=O)C3(C)C)sc2C1 ZINC000331930759 554348039 /nfs/dbraw/zinc/34/80/39/554348039.db2.gz LIWYFWMVYXKBSE-GFCCVEGCSA-N 1 2 374.510 2.284 20 30 FEEDLO CC(C)[C@H]1OCC[C@H]1CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000331956451 554352584 /nfs/dbraw/zinc/35/25/84/554352584.db2.gz RUDDBKMPXNMUNY-VQTJNVASSA-N 1 2 370.497 2.447 20 30 FEEDLO C[C@@H](CNS(=O)(=O)CC1(CC#N)CC1)[N@@H+]1CCc2sccc2C1 ZINC000333406678 554610130 /nfs/dbraw/zinc/61/01/30/554610130.db2.gz JMNJBMVIWBJTDT-ZDUSSCGKSA-N 1 2 353.513 2.108 20 30 FEEDLO C[C@@H](CNS(=O)(=O)CC1(CC#N)CC1)[N@H+]1CCc2sccc2C1 ZINC000333406678 554610131 /nfs/dbraw/zinc/61/01/31/554610131.db2.gz JMNJBMVIWBJTDT-ZDUSSCGKSA-N 1 2 353.513 2.108 20 30 FEEDLO Cc1cn2c([nH+]1)[C@H](CNS(=O)(=O)Cc1ccc(F)cc1C#N)CCC2 ZINC000333450766 554614566 /nfs/dbraw/zinc/61/45/66/554614566.db2.gz RQFVFJNBBUQZOS-ZDUSSCGKSA-N 1 2 362.430 2.199 20 30 FEEDLO COc1ccc(CN(C)C(=O)[C@@H](C)[NH+]2CCC(F)(C#N)CC2)cc1OC ZINC000510972457 561852740 /nfs/dbraw/zinc/85/27/40/561852740.db2.gz XZZYXOXASBQCOM-CQSZACIVSA-N 1 2 363.433 2.378 20 30 FEEDLO C=CCN1C(=O)N([C@@H]2CCc3[nH+]c[nH]c3C2)C(=O)[C@H]1Cc1ccccc1 ZINC000348987523 554707832 /nfs/dbraw/zinc/70/78/32/554707832.db2.gz PIXFJXLHDWMSEG-CRAIPNDOSA-N 1 2 350.422 2.329 20 30 FEEDLO C=CCN1C(=O)N([C@@H]2CCc3[nH]c[nH+]c3C2)C(=O)[C@H]1Cc1ccccc1 ZINC000348987523 554707834 /nfs/dbraw/zinc/70/78/34/554707834.db2.gz PIXFJXLHDWMSEG-CRAIPNDOSA-N 1 2 350.422 2.329 20 30 FEEDLO Cn1c[nH+]cc1Cc1noc([C@@H]2CCN(c3ccc(C#N)cc3F)C2)n1 ZINC000350201583 554767267 /nfs/dbraw/zinc/76/72/67/554767267.db2.gz FINVNZLHJPHREI-CYBMUJFWSA-N 1 2 352.373 2.399 20 30 FEEDLO N#Cc1cnc(NCc2ccc[nH+]c2N2CCC(C(N)=O)CC2)c(Cl)c1 ZINC000511395334 561867845 /nfs/dbraw/zinc/86/78/45/561867845.db2.gz QQMFXRLKMQAVAN-UHFFFAOYSA-N 1 2 370.844 2.315 20 30 FEEDLO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCn2c(nnc2C(F)(F)F)C1 ZINC000363245329 555062397 /nfs/dbraw/zinc/06/23/97/555062397.db2.gz GCCFBGGYTQVBTK-UHFFFAOYSA-N 1 2 370.360 2.074 20 30 FEEDLO N#Cc1ccsc1NC(=O)CC[N@H+]1CCn2c(nnc2C(F)(F)F)C1 ZINC000363245329 555062400 /nfs/dbraw/zinc/06/24/00/555062400.db2.gz GCCFBGGYTQVBTK-UHFFFAOYSA-N 1 2 370.360 2.074 20 30 FEEDLO Cc1cc([C@@H]2CCC[N@H+](CCS(=O)(=O)c3ccc(C#N)cc3)C2)[nH]n1 ZINC000363366866 555087089 /nfs/dbraw/zinc/08/70/89/555087089.db2.gz LMCXJMAWGFRQOV-MRXNPFEDSA-N 1 2 358.467 2.243 20 30 FEEDLO Cc1cc([C@@H]2CCC[N@@H+](CCS(=O)(=O)c3ccc(C#N)cc3)C2)[nH]n1 ZINC000363366866 555087091 /nfs/dbraw/zinc/08/70/91/555087091.db2.gz LMCXJMAWGFRQOV-MRXNPFEDSA-N 1 2 358.467 2.243 20 30 FEEDLO Cc1cc([C@@H]2CCC[N@H+](CCS(=O)(=O)c3ccc(C#N)cc3)C2)n[nH]1 ZINC000363366866 555087092 /nfs/dbraw/zinc/08/70/92/555087092.db2.gz LMCXJMAWGFRQOV-MRXNPFEDSA-N 1 2 358.467 2.243 20 30 FEEDLO Cc1cc([C@@H]2CCC[N@@H+](CCS(=O)(=O)c3ccc(C#N)cc3)C2)n[nH]1 ZINC000363366866 555087094 /nfs/dbraw/zinc/08/70/94/555087094.db2.gz LMCXJMAWGFRQOV-MRXNPFEDSA-N 1 2 358.467 2.243 20 30 FEEDLO N#Cc1ccsc1NC(=O)CC[NH2+][C@H](c1nnc[nH]1)c1ccccc1 ZINC000363912335 555212234 /nfs/dbraw/zinc/21/22/34/555212234.db2.gz SVEDIJARBGCEPE-HNNXBMFYSA-N 1 2 352.423 2.446 20 30 FEEDLO C#CCCCC(=O)N1CC[NH+]([C@@H]2CCCN(Cc3ccccc3)C2=O)CC1 ZINC000365463491 555583077 /nfs/dbraw/zinc/58/30/77/555583077.db2.gz IKFALILBPGLEDQ-HXUWFJFHSA-N 1 2 367.493 2.125 20 30 FEEDLO C=CCOC[C@H](NC(=O)c1ccccc1Oc1cc[nH+]cc1)C(=O)OC ZINC000514065451 561959252 /nfs/dbraw/zinc/95/92/52/561959252.db2.gz WXGXMFMODQHOEX-INIZCTEOSA-N 1 2 356.378 2.348 20 30 FEEDLO C=CCOc1ccc(C[N@H+]2CCCN(CC(=O)NC)CC2)cc1Cl ZINC000367422366 556044622 /nfs/dbraw/zinc/04/46/22/556044622.db2.gz KACQGULVOQADDT-UHFFFAOYSA-N 1 2 351.878 2.159 20 30 FEEDLO C=CCOc1ccc(C[N@@H+]2CCCN(CC(=O)NC)CC2)cc1Cl ZINC000367422366 556044625 /nfs/dbraw/zinc/04/46/25/556044625.db2.gz KACQGULVOQADDT-UHFFFAOYSA-N 1 2 351.878 2.159 20 30 FEEDLO CCO[C@H](C)c1noc(C[N@@H+]2CCCN(c3cc(C#N)ccn3)CC2)n1 ZINC000367425070 556044833 /nfs/dbraw/zinc/04/48/33/556044833.db2.gz AKCCKFTWIXLOSH-CQSZACIVSA-N 1 2 356.430 2.146 20 30 FEEDLO CCO[C@H](C)c1noc(C[N@H+]2CCCN(c3cc(C#N)ccn3)CC2)n1 ZINC000367425070 556044835 /nfs/dbraw/zinc/04/48/35/556044835.db2.gz AKCCKFTWIXLOSH-CQSZACIVSA-N 1 2 356.430 2.146 20 30 FEEDLO CC#CCCCC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000367489587 556064512 /nfs/dbraw/zinc/06/45/12/556064512.db2.gz KNAYDTMWNAPEAK-QGZVFWFLSA-N 1 2 363.502 2.334 20 30 FEEDLO C=CCCO[C@H](C)C(=O)N1CCN(Cc2c(C)[nH+]c3n2CCCC3)CC1 ZINC000367535493 556076551 /nfs/dbraw/zinc/07/65/51/556076551.db2.gz IMRYCCLLYDRKOY-QGZVFWFLSA-N 1 2 360.502 2.153 20 30 FEEDLO Cn1cc[nH+]c1-c1cccc(CNc2cc(S(N)(=O)=O)ccc2C#N)c1 ZINC000367840475 556151598 /nfs/dbraw/zinc/15/15/98/556151598.db2.gz GRLVDVAEIWPCDO-UHFFFAOYSA-N 1 2 367.434 2.218 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000515039682 561993262 /nfs/dbraw/zinc/99/32/62/561993262.db2.gz KRXPGGMZBYCREG-AQNXPRMDSA-N 1 2 373.497 2.401 20 30 FEEDLO CS(=O)(=O)C[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000368354870 556286208 /nfs/dbraw/zinc/28/62/08/556286208.db2.gz LUZKCQDWMSYTSR-GFCCVEGCSA-N 1 2 357.273 2.187 20 30 FEEDLO CS(=O)(=O)C[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000368354870 556286210 /nfs/dbraw/zinc/28/62/10/556286210.db2.gz LUZKCQDWMSYTSR-GFCCVEGCSA-N 1 2 357.273 2.187 20 30 FEEDLO C=CCCCCSc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cn1 ZINC000515366683 562007392 /nfs/dbraw/zinc/00/73/92/562007392.db2.gz IRUJIUYGNSWXNI-UHFFFAOYSA-N 1 2 355.529 2.466 20 30 FEEDLO COCC[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)[C@@H]1CCCc2cccnc21 ZINC000369003926 556473464 /nfs/dbraw/zinc/47/34/64/556473464.db2.gz WRMGENQGVAPCHZ-YLJYHZDGSA-N 1 2 358.486 2.462 20 30 FEEDLO COCC[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)[C@@H]1CCCc2cccnc21 ZINC000369003926 556473465 /nfs/dbraw/zinc/47/34/65/556473465.db2.gz WRMGENQGVAPCHZ-YLJYHZDGSA-N 1 2 358.486 2.462 20 30 FEEDLO N#Cc1ccc(C[C@H](C#N)C(=O)NC2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000369141020 556515027 /nfs/dbraw/zinc/51/50/27/556515027.db2.gz XXALBWSIOJUVHZ-GOSISDBHSA-N 1 2 359.433 2.421 20 30 FEEDLO N#CC1(c2ccccn2)CC[NH+]([C@@H](Cc2ccc(F)cc2)C(N)=O)CC1 ZINC000369214655 556538178 /nfs/dbraw/zinc/53/81/78/556538178.db2.gz LFHDEMXSQYVXMO-KRWDZBQOSA-N 1 2 352.413 2.174 20 30 FEEDLO N#C[C@@H]1C[N@@H+](Cc2ccc3c(c2)OCCO3)C[C@]12C(=O)Nc1ccccc12 ZINC000369523506 556619597 /nfs/dbraw/zinc/61/95/97/556619597.db2.gz WYWNWXVLLSKDTQ-VFNWGFHPSA-N 1 2 361.401 2.303 20 30 FEEDLO N#C[C@@H]1C[N@H+](Cc2ccc3c(c2)OCCO3)C[C@]12C(=O)Nc1ccccc12 ZINC000369523506 556619599 /nfs/dbraw/zinc/61/95/99/556619599.db2.gz WYWNWXVLLSKDTQ-VFNWGFHPSA-N 1 2 361.401 2.303 20 30 FEEDLO Cn1cc[nH+]c1[C@H]1CN(C(=O)c2cccc(SCC#N)c2)CCN1C ZINC000369808234 556700668 /nfs/dbraw/zinc/70/06/68/556700668.db2.gz HKTRWHPSZZPREL-MRXNPFEDSA-N 1 2 355.467 2.165 20 30 FEEDLO CC(=O)Nc1c[nH]nc1[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000369832999 556707335 /nfs/dbraw/zinc/70/73/35/556707335.db2.gz VMUKVFNPJWSBBT-OAHLLOKOSA-N 1 2 366.425 2.058 20 30 FEEDLO CC(=O)Nc1c[nH]nc1[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000369832999 556707336 /nfs/dbraw/zinc/70/73/36/556707336.db2.gz VMUKVFNPJWSBBT-OAHLLOKOSA-N 1 2 366.425 2.058 20 30 FEEDLO COc1ccc(OC)c(C[NH+]2CCN(Cc3ccc(C#N)cn3)CC2)c1 ZINC000517476596 562090925 /nfs/dbraw/zinc/09/09/25/562090925.db2.gz KYJYHCOVOHKEHN-UHFFFAOYSA-N 1 2 352.438 2.288 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(c3ccc(=O)[nH]n3)CC2)c(Br)c1 ZINC000371533209 557212594 /nfs/dbraw/zinc/21/25/94/557212594.db2.gz FEKJJUCFUFYEHN-UHFFFAOYSA-N 1 2 374.242 2.139 20 30 FEEDLO Cc1ccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1NC(=O)c1ccco1 ZINC000518038632 562103065 /nfs/dbraw/zinc/10/30/65/562103065.db2.gz CPNNYPBNMJGOIH-IBGZPJMESA-N 1 2 354.410 2.414 20 30 FEEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CC[C@H](n2cncn2)C1 ZINC000372474828 557480427 /nfs/dbraw/zinc/48/04/27/557480427.db2.gz PVJSSIVFIIFBEW-CABCVRRESA-N 1 2 370.482 2.415 20 30 FEEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CC[C@H](n2cncn2)C1 ZINC000372474828 557480431 /nfs/dbraw/zinc/48/04/31/557480431.db2.gz PVJSSIVFIIFBEW-CABCVRRESA-N 1 2 370.482 2.415 20 30 FEEDLO C=CCNC(=O)C[NH+]1CCN(c2ccc3cc(F)cc(Cl)c3n2)CC1 ZINC000519646802 562138413 /nfs/dbraw/zinc/13/84/13/562138413.db2.gz XREFZFNJOMOORV-UHFFFAOYSA-N 1 2 362.836 2.452 20 30 FEEDLO C=CCn1c([C@H]2CCCO2)nnc1N1CC[NH+](Cc2ccccn2)CC1 ZINC000519864705 562147153 /nfs/dbraw/zinc/14/71/53/562147153.db2.gz BSQBNUCXEUDYNZ-QGZVFWFLSA-N 1 2 354.458 2.033 20 30 FEEDLO COc1cc(OC)cc(N2CC[C@H]([N@H+](C)Cc3ccc(C#N)cn3)C2=O)c1 ZINC000520247870 562151907 /nfs/dbraw/zinc/15/19/07/562151907.db2.gz GXJPTYWWPQKZIG-IBGZPJMESA-N 1 2 366.421 2.208 20 30 FEEDLO COc1cc(OC)cc(N2CC[C@H]([N@@H+](C)Cc3ccc(C#N)cn3)C2=O)c1 ZINC000520247870 562151908 /nfs/dbraw/zinc/15/19/08/562151908.db2.gz GXJPTYWWPQKZIG-IBGZPJMESA-N 1 2 366.421 2.208 20 30 FEEDLO N#CC[C@@H](CC(=O)NC[C@@]1([NH+]2CCOCC2)CCCOC1)c1ccccc1 ZINC000373548053 557715793 /nfs/dbraw/zinc/71/57/93/557715793.db2.gz OOXNTZOMROAOKZ-FPOVZHCZSA-N 1 2 371.481 2.072 20 30 FEEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)NC1CC[NH+](Cc2cscn2)CC1 ZINC000373890255 557781051 /nfs/dbraw/zinc/78/10/51/557781051.db2.gz LPKIPETVRSUNTM-WMLDXEAASA-N 1 2 364.515 2.388 20 30 FEEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](c2nnc[nH]2)C1 ZINC000374051506 557814354 /nfs/dbraw/zinc/81/43/54/557814354.db2.gz RMHCFORMYLQRMG-ZDUSSCGKSA-N 1 2 356.455 2.238 20 30 FEEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@H](c2nnc[nH]2)C1 ZINC000374051506 557814356 /nfs/dbraw/zinc/81/43/56/557814356.db2.gz RMHCFORMYLQRMG-ZDUSSCGKSA-N 1 2 356.455 2.238 20 30 FEEDLO O=C(C[N@H+]1C[C@H]2CC[C@@H](C1)O2)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000374093079 557822486 /nfs/dbraw/zinc/82/24/86/557822486.db2.gz LORGMXWWQBTUNK-IYBDPMFKSA-N 1 2 352.356 2.036 20 30 FEEDLO O=C(C[N@@H+]1C[C@H]2CC[C@@H](C1)O2)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000374093079 557822488 /nfs/dbraw/zinc/82/24/88/557822488.db2.gz LORGMXWWQBTUNK-IYBDPMFKSA-N 1 2 352.356 2.036 20 30 FEEDLO N#Cc1ccc(C2=CC[N@H+](CC(=O)NC(=O)NCC(F)(F)F)CC2)cc1 ZINC000374309369 557863174 /nfs/dbraw/zinc/86/31/74/557863174.db2.gz IPAWTJVULFFTTA-UHFFFAOYSA-N 1 2 366.343 2.035 20 30 FEEDLO N#Cc1ccc(C2=CC[N@@H+](CC(=O)NC(=O)NCC(F)(F)F)CC2)cc1 ZINC000374309369 557863175 /nfs/dbraw/zinc/86/31/75/557863175.db2.gz IPAWTJVULFFTTA-UHFFFAOYSA-N 1 2 366.343 2.035 20 30 FEEDLO O=C(C[N@@H+]1CCO[C@@H](C2CC2)C1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000375332748 558010655 /nfs/dbraw/zinc/01/06/55/558010655.db2.gz NGQYWUIOVAKRHK-QGZVFWFLSA-N 1 2 366.383 2.284 20 30 FEEDLO O=C(C[N@H+]1CCO[C@@H](C2CC2)C1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000375332748 558010657 /nfs/dbraw/zinc/01/06/57/558010657.db2.gz NGQYWUIOVAKRHK-QGZVFWFLSA-N 1 2 366.383 2.284 20 30 FEEDLO Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1Nc1nc(C(F)(F)F)ccc1C#N ZINC000375368022 558016277 /nfs/dbraw/zinc/01/62/77/558016277.db2.gz QVCBNYZYVWHIJT-QMTHXVAHSA-N 1 2 364.331 2.137 20 30 FEEDLO N#Cc1cccc(S(=O)(=O)CC[NH+]2CCC(c3cnccn3)CC2)c1 ZINC000375675085 558065935 /nfs/dbraw/zinc/06/59/35/558065935.db2.gz UFPQTMMCRAMNOR-UHFFFAOYSA-N 1 2 356.451 2.002 20 30 FEEDLO COCCOc1ccc(C#N)cc1NC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000376837133 558227854 /nfs/dbraw/zinc/22/78/54/558227854.db2.gz RQHMYYROQPKUFC-OAHLLOKOSA-N 1 2 369.425 2.338 20 30 FEEDLO N#Cc1cccc([C@@H]2CN(C(=O)C3CC[NH+](CC(F)F)CC3)CCO2)c1 ZINC000376988694 558248456 /nfs/dbraw/zinc/24/84/56/558248456.db2.gz QHXWTIPHDXQGOD-KRWDZBQOSA-N 1 2 363.408 2.435 20 30 FEEDLO C=C(CNC(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1)c1ccccc1 ZINC000377049623 558255905 /nfs/dbraw/zinc/25/59/05/558255905.db2.gz YMQVICXQEJVTBH-OALUTQOASA-N 1 2 371.460 2.345 20 30 FEEDLO C=C(CNC(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1)c1ccccc1 ZINC000377049623 558255907 /nfs/dbraw/zinc/25/59/07/558255907.db2.gz YMQVICXQEJVTBH-OALUTQOASA-N 1 2 371.460 2.345 20 30 FEEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@H](c3ccnc(N)n3)C2)cc1Cl ZINC000377097354 558265424 /nfs/dbraw/zinc/26/54/24/558265424.db2.gz LOTHVZOUKCDLDF-ZDUSSCGKSA-N 1 2 370.844 2.402 20 30 FEEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H](c3ccnc(N)n3)C2)cc1Cl ZINC000377097354 558265426 /nfs/dbraw/zinc/26/54/26/558265426.db2.gz LOTHVZOUKCDLDF-ZDUSSCGKSA-N 1 2 370.844 2.402 20 30 FEEDLO Cc1nn(C)c2ncc(C[N@@H+]3C[C@@H](C#N)[C@@]4(C3)c3ccccc3NC4=O)cc12 ZINC000378293819 558521840 /nfs/dbraw/zinc/52/18/40/558521840.db2.gz UKIGZOGYLGPMLH-VFNWGFHPSA-N 1 2 372.432 2.122 20 30 FEEDLO Cc1nn(C)c2ncc(C[N@H+]3C[C@@H](C#N)[C@@]4(C3)c3ccccc3NC4=O)cc12 ZINC000378293819 558521842 /nfs/dbraw/zinc/52/18/42/558521842.db2.gz UKIGZOGYLGPMLH-VFNWGFHPSA-N 1 2 372.432 2.122 20 30 FEEDLO C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000378594112 558590720 /nfs/dbraw/zinc/59/07/20/558590720.db2.gz MRSFURQYXTXQIV-CYBMUJFWSA-N 1 2 367.409 2.045 20 30 FEEDLO C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000378594112 558590724 /nfs/dbraw/zinc/59/07/24/558590724.db2.gz MRSFURQYXTXQIV-CYBMUJFWSA-N 1 2 367.409 2.045 20 30 FEEDLO C=CCN1CC[C@H]([NH+]2CCN(Cc3cc(Cl)ccc3OC)CC2)C1=O ZINC000410297366 558750067 /nfs/dbraw/zinc/75/00/67/558750067.db2.gz ANIPHWCWPAGZPT-KRWDZBQOSA-N 1 2 363.889 2.253 20 30 FEEDLO N#Cc1cccc(NC(=O)CC[N@@H+]2CCOC[C@H]2CC(=O)c2ccco2)c1 ZINC000411600043 558926953 /nfs/dbraw/zinc/92/69/53/558926953.db2.gz DEACYDRQYJMJIK-QGZVFWFLSA-N 1 2 367.405 2.454 20 30 FEEDLO N#Cc1cccc(NC(=O)CC[N@H+]2CCOC[C@H]2CC(=O)c2ccco2)c1 ZINC000411600043 558926955 /nfs/dbraw/zinc/92/69/55/558926955.db2.gz DEACYDRQYJMJIK-QGZVFWFLSA-N 1 2 367.405 2.454 20 30 FEEDLO CNC(=O)NC1CC[NH+](CC(=O)c2cn(CCC#N)c3ccccc23)CC1 ZINC000412057427 559007722 /nfs/dbraw/zinc/00/77/22/559007722.db2.gz XMGZMIXXJSKZIX-UHFFFAOYSA-N 1 2 367.453 2.131 20 30 FEEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(n2c3ccccc3[nH]c2=O)CC1 ZINC000526058610 562265354 /nfs/dbraw/zinc/26/53/54/562265354.db2.gz LODFGNXOQNBMRD-AWEZNQCLSA-N 1 2 367.453 2.330 20 30 FEEDLO C[N@H+](CCC#N)C[C@@H](O)Cn1c2ccccc2nc1NCc1ccccc1 ZINC000414111438 559149751 /nfs/dbraw/zinc/14/97/51/559149751.db2.gz XCURTYKUEKARBV-GOSISDBHSA-N 1 2 363.465 2.855 20 30 FEEDLO C[N@@H+](CCC#N)C[C@@H](O)Cn1c2ccccc2nc1NCc1ccccc1 ZINC000414111438 559149752 /nfs/dbraw/zinc/14/97/52/559149752.db2.gz XCURTYKUEKARBV-GOSISDBHSA-N 1 2 363.465 2.855 20 30 FEEDLO C[C@H](C(=O)NC1(C#N)CCC1)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000527048806 562274511 /nfs/dbraw/zinc/27/45/11/562274511.db2.gz USTZKWKODOJWLV-JIGZGPPQSA-N 1 2 352.482 2.268 20 30 FEEDLO CC[C@@H]1C[N@H+](CCNC(=O)N[C@H]2CCCc3cc(C#N)ccc32)CCO1 ZINC000419613422 559449976 /nfs/dbraw/zinc/44/99/76/559449976.db2.gz NMFNYHLKGUIRLM-MJGOQNOKSA-N 1 2 356.470 2.346 20 30 FEEDLO CC[C@@H]1C[N@@H+](CCNC(=O)N[C@H]2CCCc3cc(C#N)ccc32)CCO1 ZINC000419613422 559449977 /nfs/dbraw/zinc/44/99/77/559449977.db2.gz NMFNYHLKGUIRLM-MJGOQNOKSA-N 1 2 356.470 2.346 20 30 FEEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2C[C@H](O)CC[C@H]2C)c1C#N ZINC000421014448 559519530 /nfs/dbraw/zinc/51/95/30/559519530.db2.gz KISSZJTVJFKOSH-CZUORRHYSA-N 1 2 370.453 2.402 20 30 FEEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2C[C@H](O)CC[C@H]2C)c1C#N ZINC000421014448 559519531 /nfs/dbraw/zinc/51/95/31/559519531.db2.gz KISSZJTVJFKOSH-CZUORRHYSA-N 1 2 370.453 2.402 20 30 FEEDLO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000421502644 559543849 /nfs/dbraw/zinc/54/38/49/559543849.db2.gz YFFVDLMWYYWQLD-GOSISDBHSA-N 1 2 366.465 2.067 20 30 FEEDLO Cc1ccc([C@H](OC[C@@H](O)C[NH+]2CC(O)(CC#N)C2)c2ccccc2)cc1 ZINC000424129305 559655592 /nfs/dbraw/zinc/65/55/92/559655592.db2.gz CYBAOAFYOMIORS-LEWJYISDSA-N 1 2 366.461 2.422 20 30 FEEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000424657567 559672696 /nfs/dbraw/zinc/67/26/96/559672696.db2.gz NRIVBMWBJWPQTR-MRXNPFEDSA-N 1 2 373.501 2.001 20 30 FEEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000424657567 559672697 /nfs/dbraw/zinc/67/26/97/559672697.db2.gz NRIVBMWBJWPQTR-MRXNPFEDSA-N 1 2 373.501 2.001 20 30 FEEDLO C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000425383027 559699127 /nfs/dbraw/zinc/69/91/27/559699127.db2.gz JNIAOMBQMNYXRM-RHSMWYFYSA-N 1 2 365.437 2.207 20 30 FEEDLO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000425387148 559699483 /nfs/dbraw/zinc/69/94/83/559699483.db2.gz QJDMGVYYWHMVPY-AWEZNQCLSA-N 1 2 365.437 2.207 20 30 FEEDLO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000430217308 559815512 /nfs/dbraw/zinc/81/55/12/559815512.db2.gz KLRJTASFXQRNHO-UHFFFAOYSA-N 1 2 353.382 2.192 20 30 FEEDLO COc1cc[nH+]cc1CNS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000431586100 559842026 /nfs/dbraw/zinc/84/20/26/559842026.db2.gz PQMMOCGWSIHCLY-UHFFFAOYSA-N 1 2 371.340 2.459 20 30 FEEDLO Cc1c(NC(=O)[C@H](C)[N@H+](C)CC(C)(C)C#N)c(=O)n(-c2ccccc2)n1C ZINC000433317903 559876810 /nfs/dbraw/zinc/87/68/10/559876810.db2.gz FQEATAKMQKGLQZ-HNNXBMFYSA-N 1 2 369.469 2.293 20 30 FEEDLO Cc1c(NC(=O)[C@H](C)[N@@H+](C)CC(C)(C)C#N)c(=O)n(-c2ccccc2)n1C ZINC000433317903 559876811 /nfs/dbraw/zinc/87/68/11/559876811.db2.gz FQEATAKMQKGLQZ-HNNXBMFYSA-N 1 2 369.469 2.293 20 30 FEEDLO Cn1cc([C@@H](c2cccc(F)c2)[N@H+](C)CC(=O)NC2(C#N)CCC2)cn1 ZINC000527378081 562287203 /nfs/dbraw/zinc/28/72/03/562287203.db2.gz IUJSYTUBDBCRMB-GOSISDBHSA-N 1 2 355.417 2.143 20 30 FEEDLO Cn1cc([C@@H](c2cccc(F)c2)[N@@H+](C)CC(=O)NC2(C#N)CCC2)cn1 ZINC000527378081 562287204 /nfs/dbraw/zinc/28/72/04/562287204.db2.gz IUJSYTUBDBCRMB-GOSISDBHSA-N 1 2 355.417 2.143 20 30 FEEDLO CCOC(=O)C1(O)CC[NH+](Cc2ccc(C#N)cc2OC(F)F)CC1 ZINC000437904689 559971353 /nfs/dbraw/zinc/97/13/53/559971353.db2.gz YFPCIEAVFUHIMS-UHFFFAOYSA-N 1 2 354.353 2.050 20 30 FEEDLO Cn1cc[nH+]c1[C@H](NC(=O)N=c1ccn(CCC#N)[nH]1)c1ccc(F)cc1 ZINC000438328148 559977259 /nfs/dbraw/zinc/97/72/59/559977259.db2.gz MSXRJYXWSJZRBF-MRXNPFEDSA-N 1 2 367.388 2.580 20 30 FEEDLO N#Cc1ccc(Cn2c3ccccc3[nH]c2=[NH+]CCO)c(OC(F)F)c1 ZINC000439557703 559996844 /nfs/dbraw/zinc/99/68/44/559996844.db2.gz NXSBDCQTVWLKMK-UHFFFAOYSA-N 1 2 358.348 2.962 20 30 FEEDLO N#Cc1ccc(CS(=O)(=O)NCc2ccc(N3CCCC3)[nH+]c2)c(F)c1 ZINC000440066736 560004094 /nfs/dbraw/zinc/00/40/94/560004094.db2.gz XNBLAZHOGBIGCD-UHFFFAOYSA-N 1 2 374.441 2.312 20 30 FEEDLO C=CC[C@H](CC)NC(=O)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000440265026 560007677 /nfs/dbraw/zinc/00/76/77/560007677.db2.gz AHCRMDMOGGAOSK-RDJZCZTQSA-N 1 2 359.470 2.489 20 30 FEEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CC[N@H+](C)C[C@H]1C ZINC000440268694 560007721 /nfs/dbraw/zinc/00/77/21/560007721.db2.gz IXTPVEFYAIYVJD-KGLIPLIRSA-N 1 2 360.483 2.182 20 30 FEEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000440268694 560007722 /nfs/dbraw/zinc/00/77/22/560007722.db2.gz IXTPVEFYAIYVJD-KGLIPLIRSA-N 1 2 360.483 2.182 20 30 FEEDLO CC[N@H+](CC(=O)Nc1ccccc1SC[C@@H](C)C#N)[C@H]1CCNC1=O ZINC000440964303 560020424 /nfs/dbraw/zinc/02/04/24/560020424.db2.gz FJHWOSLSYBVCPX-ZFWWWQNUSA-N 1 2 360.483 2.087 20 30 FEEDLO CC[N@@H+](CC(=O)Nc1ccccc1SC[C@@H](C)C#N)[C@H]1CCNC1=O ZINC000440964303 560020425 /nfs/dbraw/zinc/02/04/25/560020425.db2.gz FJHWOSLSYBVCPX-ZFWWWQNUSA-N 1 2 360.483 2.087 20 30 FEEDLO C[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)CCN1c1nccn2cnnc12 ZINC000441034380 560022032 /nfs/dbraw/zinc/02/20/32/560022032.db2.gz NSGYYTSSNWOYKK-OAHLLOKOSA-N 1 2 366.856 2.340 20 30 FEEDLO C[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)CCN1c1nccn2cnnc12 ZINC000441034380 560022033 /nfs/dbraw/zinc/02/20/33/560022033.db2.gz NSGYYTSSNWOYKK-OAHLLOKOSA-N 1 2 366.856 2.340 20 30 FEEDLO CC(C)(C)OC(=O)C[NH2+][C@]1(C)CCN(C(=O)NCc2ccc(C#N)cc2)C1 ZINC000441135654 560025075 /nfs/dbraw/zinc/02/50/75/560025075.db2.gz UAIHYNWPMNWWPL-HXUWFJFHSA-N 1 2 372.469 2.164 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000448589122 560191459 /nfs/dbraw/zinc/19/14/59/560191459.db2.gz ZIHVBTGFCDKBTG-MSOLQXFVSA-N 1 2 364.873 2.454 20 30 FEEDLO Cc1[nH]c(C#N)cc1C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000448707611 560195512 /nfs/dbraw/zinc/19/55/12/560195512.db2.gz KOFRGBSNKGNHSO-BETUJISGSA-N 1 2 353.426 2.133 20 30 FEEDLO C=CCC1(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CCCCC1 ZINC000448740168 560197517 /nfs/dbraw/zinc/19/75/17/560197517.db2.gz WHWKFPGNEILSIG-UHFFFAOYSA-N 1 2 357.502 2.241 20 30 FEEDLO N#Cc1cccc(C(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)c1Br ZINC000448981938 560210276 /nfs/dbraw/zinc/21/02/76/560210276.db2.gz IPKOAXWLLDZZNJ-UHFFFAOYSA-N 1 2 374.242 2.002 20 30 FEEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)COc1ccc(C#N)c(Br)c1 ZINC000449649161 560235577 /nfs/dbraw/zinc/23/55/77/560235577.db2.gz IFZYDWVMLBGFQM-NSHDSACASA-N 1 2 363.215 2.101 20 30 FEEDLO Cc1[nH]c(C#N)cc1C(=O)N(C)C[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000450042301 560248964 /nfs/dbraw/zinc/24/89/64/560248964.db2.gz LPMJZFTUAMYPQW-INIZCTEOSA-N 1 2 358.467 2.402 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000450041754 560249002 /nfs/dbraw/zinc/24/90/02/560249002.db2.gz KOIHSYCRKYKDHH-OAGGEKHMSA-N 1 2 350.484 2.171 20 30 FEEDLO C=CCNC(=O)C[NH+]1CCN(CCc2c(Cl)cccc2Cl)CC1 ZINC000450212742 560254146 /nfs/dbraw/zinc/25/41/46/560254146.db2.gz CPJBVOQLMPGGLS-UHFFFAOYSA-N 1 2 356.297 2.456 20 30 FEEDLO COC(=O)c1csc(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000450241374 560255492 /nfs/dbraw/zinc/25/54/92/560255492.db2.gz KZBSHFGGQLOYRB-UHFFFAOYSA-N 1 2 356.451 2.119 20 30 FEEDLO C=CCOc1ccc(CC(=O)N(CC2CC2)C[C@@H]2C[N@H+](C)CCO2)cc1 ZINC000450910753 560278038 /nfs/dbraw/zinc/27/80/38/560278038.db2.gz QJJZFRHXTZSQDJ-FQEVSTJZSA-N 1 2 358.482 2.363 20 30 FEEDLO C=CCOc1ccc(CC(=O)N(CC2CC2)C[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC000450910753 560278039 /nfs/dbraw/zinc/27/80/39/560278039.db2.gz QJJZFRHXTZSQDJ-FQEVSTJZSA-N 1 2 358.482 2.363 20 30 FEEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCCN(c2ccccc2Cl)CC1 ZINC000450997185 560281684 /nfs/dbraw/zinc/28/16/84/560281684.db2.gz IHCYSTAXVRBWKT-AWEZNQCLSA-N 1 2 364.877 2.252 20 30 FEEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCCN(c2ccccc2Cl)CC1 ZINC000450997185 560281685 /nfs/dbraw/zinc/28/16/85/560281685.db2.gz IHCYSTAXVRBWKT-AWEZNQCLSA-N 1 2 364.877 2.252 20 30 FEEDLO C=CCCCS(=O)(=O)N1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000451555871 560314595 /nfs/dbraw/zinc/31/45/95/560314595.db2.gz TYGVLEWWMYTYRY-MRXNPFEDSA-N 1 2 365.499 2.431 20 30 FEEDLO N#Cc1ccc(NC(=O)C[N@H+]2CC[C@@H]([C@@H](O)C(F)(F)F)C2)cc1Cl ZINC000451880861 560334057 /nfs/dbraw/zinc/33/40/57/560334057.db2.gz AGZXFZRCTQPWQT-QMTHXVAHSA-N 1 2 361.751 2.395 20 30 FEEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H]([C@@H](O)C(F)(F)F)C2)cc1Cl ZINC000451880861 560334058 /nfs/dbraw/zinc/33/40/58/560334058.db2.gz AGZXFZRCTQPWQT-QMTHXVAHSA-N 1 2 361.751 2.395 20 30 FEEDLO Cc1cc(C#N)cc(NC(=O)C(=O)NCc2cc[nH+]c(N3CCCC3)c2)c1 ZINC000453573464 560389140 /nfs/dbraw/zinc/38/91/40/560389140.db2.gz PKNKMXPRLNTQKE-UHFFFAOYSA-N 1 2 363.421 2.117 20 30 FEEDLO C=CCC[C@H](NC(=O)[C@@H](C(C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)OCC ZINC000456636748 560526683 /nfs/dbraw/zinc/52/66/83/560526683.db2.gz YHMYBIXNPZTDBJ-VVLHAWIVSA-N 1 2 354.491 2.134 20 30 FEEDLO C=CCC[C@H](NC(=O)[C@@H](C(C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)OCC ZINC000456636748 560526684 /nfs/dbraw/zinc/52/66/84/560526684.db2.gz YHMYBIXNPZTDBJ-VVLHAWIVSA-N 1 2 354.491 2.134 20 30 FEEDLO Cc1cc(N2CCN(C(=O)c3cc(C)c(C#N)cn3)CC2)nc(C(C)C)[nH+]1 ZINC000457403786 560565252 /nfs/dbraw/zinc/56/52/52/560565252.db2.gz IHZUXKVSZQXWCD-UHFFFAOYSA-N 1 2 364.453 2.446 20 30 FEEDLO C[C@H]1CN(c2ccc(CNC(=O)NCC(C)(C)CC#N)c[nH+]2)C[C@H](C)O1 ZINC000457670341 560581039 /nfs/dbraw/zinc/58/10/39/560581039.db2.gz XONHUIWOZRBHMR-GJZGRUSLSA-N 1 2 359.474 2.434 20 30 FEEDLO C=CCC[C@H](CO)NC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000458631028 560637402 /nfs/dbraw/zinc/63/74/02/560637402.db2.gz YTUQEMWZZMXYBA-COXVUDFISA-N 1 2 353.413 2.336 20 30 FEEDLO C=CCC[C@H](CO)NC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000458631028 560637404 /nfs/dbraw/zinc/63/74/04/560637404.db2.gz YTUQEMWZZMXYBA-COXVUDFISA-N 1 2 353.413 2.336 20 30 FEEDLO Cn1cc[nH+]c1[C@@H](NC(=O)Nc1cnc(C#N)c(Cl)c1)C(C)(C)CO ZINC000459606410 560697480 /nfs/dbraw/zinc/69/74/80/560697480.db2.gz NGYARUADFSRDML-CYBMUJFWSA-N 1 2 362.821 2.221 20 30 FEEDLO CC#CCNC(=O)NC[C@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCOCC1 ZINC000460159655 560736629 /nfs/dbraw/zinc/73/66/29/560736629.db2.gz JBZIWUIQGASLNR-MRXNPFEDSA-N 1 2 369.387 2.401 20 30 FEEDLO COc1ccc(C[NH+]2CCN(C(=O)CCCC#N)CC2)c(OC)c1OC ZINC000461750770 560781605 /nfs/dbraw/zinc/78/16/05/560781605.db2.gz XMQQYKUEKLNNPS-UHFFFAOYSA-N 1 2 361.442 2.050 20 30 FEEDLO Cn1c2ccc(NC(=O)C(=O)N[C@H]3CCC[C@@H]3C#N)cc2[nH+]c1C1CC1 ZINC000461780514 560783015 /nfs/dbraw/zinc/78/30/15/560783015.db2.gz ONGPJDWMWLVHIT-OCCSQVGLSA-N 1 2 351.410 2.198 20 30 FEEDLO Cn1c2ccc(NC(=O)C(=O)N[C@H]3CCC[C@H]3C#N)cc2[nH+]c1C1CC1 ZINC000461780513 560783035 /nfs/dbraw/zinc/78/30/35/560783035.db2.gz ONGPJDWMWLVHIT-JSGCOSHPSA-N 1 2 351.410 2.198 20 30 FEEDLO CC#CCCSc1nnc([C@H](CC)[NH+](C)C)n1CCN1CCOCC1 ZINC000462378955 560808022 /nfs/dbraw/zinc/80/80/22/560808022.db2.gz FYYXSSOSLHIVFK-INIZCTEOSA-N 1 2 365.547 2.129 20 30 FEEDLO COc1ccccc1-c1noc([C@@H](C)[NH2+][C@@H](C)C(=O)NC2(C#N)CCC2)n1 ZINC000469021314 560944963 /nfs/dbraw/zinc/94/49/63/560944963.db2.gz OYXXTZHBXOAJKI-QWHCGFSZSA-N 1 2 369.425 2.347 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cnn(-c4cccnc4)c3)CC2)cc1 ZINC000470347730 560979074 /nfs/dbraw/zinc/97/90/74/560979074.db2.gz WKDUVOCHZXQZDE-UHFFFAOYSA-N 1 2 372.432 2.097 20 30 FEEDLO CC[C@H]1C[N@H+](CCNC(=O)[C@H](Oc2ccccc2C#N)C(C)C)CCO1 ZINC000470444421 560982105 /nfs/dbraw/zinc/98/21/05/560982105.db2.gz DTJYWBGPJZLMCX-PKOBYXMFSA-N 1 2 359.470 2.189 20 30 FEEDLO CC[C@H]1C[N@@H+](CCNC(=O)[C@H](Oc2ccccc2C#N)C(C)C)CCO1 ZINC000470444421 560982106 /nfs/dbraw/zinc/98/21/06/560982106.db2.gz DTJYWBGPJZLMCX-PKOBYXMFSA-N 1 2 359.470 2.189 20 30 FEEDLO CN(CC1CC1)C(=O)C[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000470998307 560996107 /nfs/dbraw/zinc/99/61/07/560996107.db2.gz XXNNSMCQMZEEGU-GOSISDBHSA-N 1 2 360.889 2.391 20 30 FEEDLO N#Cc1ccccc1OCC[NH+]1CCN(Cc2nccn2C(F)F)CC1 ZINC000471016747 560996416 /nfs/dbraw/zinc/99/64/16/560996416.db2.gz BLYPKKYTFOWBSP-UHFFFAOYSA-N 1 2 361.396 2.346 20 30 FEEDLO O=C1c2ccccc2C(=O)N1CC#CC[N@@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000528503172 562332759 /nfs/dbraw/zinc/33/27/59/562332759.db2.gz IOLVLOUDAQFXBP-UHFFFAOYSA-N 1 2 374.396 2.159 20 30 FEEDLO O=C1c2ccccc2C(=O)N1CC#CC[N@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000528503172 562332760 /nfs/dbraw/zinc/33/27/60/562332760.db2.gz IOLVLOUDAQFXBP-UHFFFAOYSA-N 1 2 374.396 2.159 20 30 FEEDLO COCc1ccc(NC(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)cc1C#N ZINC000529207521 562364669 /nfs/dbraw/zinc/36/46/69/562364669.db2.gz UJCIIFZGKFSWRS-KSSFIOAISA-N 1 2 358.442 2.032 20 30 FEEDLO C=CCN(C(=O)CCc1c[nH+]cn1C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000530283389 562405395 /nfs/dbraw/zinc/40/53/95/562405395.db2.gz PLPLWZZOUZIYSV-OAHLLOKOSA-N 1 2 365.441 2.104 20 30 FEEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+]2C[C@H](O)C[C@H]2C)c1C#N ZINC000530360837 562408223 /nfs/dbraw/zinc/40/82/23/562408223.db2.gz UHGWZMVHHPBLGU-RDTXWAMCSA-N 1 2 366.465 2.419 20 30 FEEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+]2C[C@H](O)C[C@H]2C)c1C#N ZINC000530360837 562408224 /nfs/dbraw/zinc/40/82/24/562408224.db2.gz UHGWZMVHHPBLGU-RDTXWAMCSA-N 1 2 366.465 2.419 20 30 FEEDLO COC(=O)[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2SC[C@@H](C)C#N)C1 ZINC000532503476 562479613 /nfs/dbraw/zinc/47/96/13/562479613.db2.gz YMJRWVNSFQSBDV-UONOGXRCSA-N 1 2 361.467 2.372 20 30 FEEDLO COC(=O)[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2SC[C@@H](C)C#N)C1 ZINC000532503476 562479614 /nfs/dbraw/zinc/47/96/14/562479614.db2.gz YMJRWVNSFQSBDV-UONOGXRCSA-N 1 2 361.467 2.372 20 30 FEEDLO C=C1CC[NH+]([C@H](C)C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)CC1 ZINC000532553590 562481037 /nfs/dbraw/zinc/48/10/37/562481037.db2.gz RIXPCEYUSFQPDS-OAHLLOKOSA-N 1 2 365.499 2.352 20 30 FEEDLO Cc1ccc2nc(C[NH+]3CCN([C@H](C#N)c4ccccc4)CC3)cc(=O)n2c1 ZINC000533529169 562511793 /nfs/dbraw/zinc/51/17/93/562511793.db2.gz OKDKJWNFRDXQEQ-HXUWFJFHSA-N 1 2 373.460 2.385 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CSCC(F)(F)F)CC2)cc1 ZINC000534141482 562526400 /nfs/dbraw/zinc/52/64/00/562526400.db2.gz PPAXIVPPEIFYJY-UHFFFAOYSA-N 1 2 357.401 2.498 20 30 FEEDLO C=CCNC(=O)C[NH2+][C@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000541685995 562617780 /nfs/dbraw/zinc/61/77/80/562617780.db2.gz CMDSYPHXKDEQFU-SNVBAGLBSA-N 1 2 365.231 2.452 20 30 FEEDLO C[C@H]1C[NH+](Cc2csc(-c3ccc(C(N)=O)cc3)n2)C[C@H](C)N1CC#N ZINC000602852256 568001616 /nfs/dbraw/zinc/00/16/16/568001616.db2.gz AKIPEODGEJUHGK-KBPBESRZSA-N 1 2 369.494 2.327 20 30 FEEDLO COc1ccc(-c2noc(C[NH+]3C[C@H](C)N(CC#N)[C@@H](C)C3)n2)c(OC)c1 ZINC000602858821 568003075 /nfs/dbraw/zinc/00/30/75/568003075.db2.gz VNVFLARZKHIQOM-KBPBESRZSA-N 1 2 371.441 2.172 20 30 FEEDLO C[C@@H]1C[N@@H+](CC(=O)N(C)c2nc3ccccc3s2)C[C@H](C)N1CC#N ZINC000602864005 568007863 /nfs/dbraw/zinc/00/78/63/568007863.db2.gz PXEJAYRRVURCDK-OKILXGFUSA-N 1 2 357.483 2.177 20 30 FEEDLO C[C@@H]1C[N@H+](CC(=O)N(C)c2nc3ccccc3s2)C[C@H](C)N1CC#N ZINC000602864005 568007864 /nfs/dbraw/zinc/00/78/64/568007864.db2.gz PXEJAYRRVURCDK-OKILXGFUSA-N 1 2 357.483 2.177 20 30 FEEDLO COc1ccccc1[C@H](C)N(C)C(=O)C[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602866335 568008227 /nfs/dbraw/zinc/00/82/27/568008227.db2.gz VQUOENFEXYTCGW-BBWFWOEESA-N 1 2 358.486 2.133 20 30 FEEDLO COc1ccccc1[C@H](C)N(C)C(=O)C[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602866335 568008228 /nfs/dbraw/zinc/00/82/28/568008228.db2.gz VQUOENFEXYTCGW-BBWFWOEESA-N 1 2 358.486 2.133 20 30 FEEDLO Cc1cc(C)c(CCNC(=O)C[N@@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)c(C)c1 ZINC000602867146 568008393 /nfs/dbraw/zinc/00/83/93/568008393.db2.gz XNPXMNHLEJVYRY-KDURUIRLSA-N 1 2 356.514 2.189 20 30 FEEDLO Cc1cc(C)c(CCNC(=O)C[N@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)c(C)c1 ZINC000602867146 568008394 /nfs/dbraw/zinc/00/83/94/568008394.db2.gz XNPXMNHLEJVYRY-KDURUIRLSA-N 1 2 356.514 2.189 20 30 FEEDLO CN(C)c1[nH+]ccc2cc(NC(=O)NC3CCN(CC#N)CC3)ccc21 ZINC000603019573 568052195 /nfs/dbraw/zinc/05/21/95/568052195.db2.gz CEOFYDJHRDNWJF-UHFFFAOYSA-N 1 2 352.442 2.410 20 30 FEEDLO Cc1nsc(N2CCN(C(=O)NCc3cc(C)[nH+]c(C)c3)CC2)c1C#N ZINC000569682768 568418920 /nfs/dbraw/zinc/41/89/20/568418920.db2.gz LGSOOKKUKGJISK-UHFFFAOYSA-N 1 2 370.482 2.367 20 30 FEEDLO C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000669198335 568564719 /nfs/dbraw/zinc/56/47/19/568564719.db2.gz NZSRBURNYZJFQM-IKGGRYGDSA-N 1 2 356.470 2.028 20 30 FEEDLO Cc1cc(NC(=O)NC[C@@H]2C[C@H](F)C[N@@H+]2Cc2cccs2)nn1C ZINC000328626863 571130468 /nfs/dbraw/zinc/13/04/68/571130468.db2.gz FNWCZEJAOLFSMO-STQMWFEESA-N 1 2 351.451 2.729 20 30 FEEDLO Cc1cc(NC(=O)NC[C@@H]2C[C@H](F)C[N@H+]2Cc2cccs2)nn1C ZINC000328626863 571130469 /nfs/dbraw/zinc/13/04/69/571130469.db2.gz FNWCZEJAOLFSMO-STQMWFEESA-N 1 2 351.451 2.729 20 30 FEEDLO N#Cc1ccc(CS(=O)(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000808285900 674450212 /nfs/dbraw/zinc/45/02/12/674450212.db2.gz ZPHJMQMXGUPSEN-UHFFFAOYSA-N 1 2 352.419 2.364 20 30 FEEDLO Cc1nc(-c2nn[nH]n2)c(N=NC2C[N@@H+](Cc3ccccc3)C[C@H]2C)o1 ZINC000822423503 606339874 /nfs/dbraw/zinc/33/98/74/606339874.db2.gz LKXHIHFKJKYDJE-LLVKDONJSA-N 1 2 352.402 2.083 20 30 FEEDLO Cc1nc(-c2nn[nH]n2)c(N=NC2C[N@H+](Cc3ccccc3)C[C@H]2C)o1 ZINC000822423503 606339876 /nfs/dbraw/zinc/33/98/76/606339876.db2.gz LKXHIHFKJKYDJE-LLVKDONJSA-N 1 2 352.402 2.083 20 30 FEEDLO CN1C(=O)C[C@H]([NH2+]Cc2ncc(C#N)cn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000561239187 674649367 /nfs/dbraw/zinc/64/93/67/674649367.db2.gz AHEPKZLDAFSSKE-WMLDXEAASA-N 1 2 359.792 2.202 20 30 FEEDLO C#CC[NH+]1CCN(Cn2nc(C3CC3)n(-c3ccccc3)c2=S)CC1 ZINC000029436434 670099882 /nfs/dbraw/zinc/09/98/82/670099882.db2.gz JDJMJWRMOJXSFI-UHFFFAOYSA-N 1 2 353.495 2.489 20 30 FEEDLO C#CC[NH+](CC#C)Cc1cc(I)c(OC)c(OC)c1 ZINC000093475571 670753350 /nfs/dbraw/zinc/75/33/50/670753350.db2.gz RSUDBJYKDRKTJV-UHFFFAOYSA-N 1 2 369.202 2.377 20 30 FEEDLO C#CCC[NH+]1CCN(C(=O)c2[nH]nc(C(C)C)c2Br)CC1 ZINC000106911352 670815879 /nfs/dbraw/zinc/81/58/79/670815879.db2.gz AIOYVCHKLISNCH-UHFFFAOYSA-N 1 2 353.264 2.077 20 30 FEEDLO C[C@@](C#N)(NC(=O)C[NH+]1CCC(Oc2cncc(Cl)c2)CC1)C1CC1 ZINC000578949558 671700623 /nfs/dbraw/zinc/70/06/23/671700623.db2.gz HRBYVECAQDCGGZ-SFHVURJKSA-N 1 2 362.861 2.387 20 30 FEEDLO C[C@@H](C(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1)n1cnc(C#N)n1 ZINC000580387700 671802619 /nfs/dbraw/zinc/80/26/19/671802619.db2.gz SQLSTIKGBOPRHJ-LBPRGKRZSA-N 1 2 359.459 2.038 20 30 FEEDLO N#Cc1ccc(N2CC[NH+](CCOc3ccccc3Cl)CC2)nc1N ZINC000580903181 671845355 /nfs/dbraw/zinc/84/53/55/671845355.db2.gz RBEMZPXLVLLANN-UHFFFAOYSA-N 1 2 357.845 2.390 20 30 FEEDLO C=CCn1c(-c2cnccn2)nn(C[N@H+](C)CC2CCOCC2)c1=S ZINC000124660273 672000686 /nfs/dbraw/zinc/00/06/86/672000686.db2.gz RYKJLAYJFFFVKZ-UHFFFAOYSA-N 1 2 360.487 2.373 20 30 FEEDLO C=CCn1c(-c2cnccn2)nn(C[N@@H+](C)CC2CCOCC2)c1=S ZINC000124660273 672000689 /nfs/dbraw/zinc/00/06/89/672000689.db2.gz RYKJLAYJFFFVKZ-UHFFFAOYSA-N 1 2 360.487 2.373 20 30 FEEDLO N#Cc1ccc(CNC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)cc1Cl ZINC000589649094 672537280 /nfs/dbraw/zinc/53/72/80/672537280.db2.gz WDJKHGXGFXKVLL-INIZCTEOSA-N 1 2 362.861 2.218 20 30 FEEDLO C[C@@H]1SCC[N@H+](CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)[C@H]1C ZINC000246288178 672834286 /nfs/dbraw/zinc/83/42/86/672834286.db2.gz CWJQTVFQQRLECN-LXIYXOSZSA-N 1 2 358.467 2.109 20 30 FEEDLO C[C@@H]1SCC[N@@H+](CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)[C@H]1C ZINC000246288178 672834291 /nfs/dbraw/zinc/83/42/91/672834291.db2.gz CWJQTVFQQRLECN-LXIYXOSZSA-N 1 2 358.467 2.109 20 30 FEEDLO Cc1ccc2[nH+]c(CSCC(=O)N[C@H]3CCCS(=O)(=O)C3)cn2c1 ZINC000329304313 673075297 /nfs/dbraw/zinc/07/52/97/673075297.db2.gz OGQMGTUIRNTGNC-ZDUSSCGKSA-N 1 2 367.496 2.410 20 30 FEEDLO COC(=O)[C@@H](c1ccc(Cl)cc1)[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000595396027 673242060 /nfs/dbraw/zinc/24/20/60/673242060.db2.gz BOKWTBFVUNHOCL-OAHLLOKOSA-N 1 2 361.833 2.296 20 30 FEEDLO COC(=O)[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000595396027 673242061 /nfs/dbraw/zinc/24/20/61/673242061.db2.gz BOKWTBFVUNHOCL-OAHLLOKOSA-N 1 2 361.833 2.296 20 30 FEEDLO C[C@H]([NH2+][C@@H](CO)c1ccc(F)cc1F)C(=O)NC1(C#N)CCCCC1 ZINC000595865594 673332176 /nfs/dbraw/zinc/33/21/76/673332176.db2.gz BPDBSHHNSCHJPM-LRDDRELGSA-N 1 2 351.397 2.319 20 30 FEEDLO C[C@@H]([NH2+][C@@H](CO)c1ccc(F)cc1F)C(=O)NC1(C#N)CCCCC1 ZINC000595865596 673332297 /nfs/dbraw/zinc/33/22/97/673332297.db2.gz BPDBSHHNSCHJPM-WBMJQRKESA-N 1 2 351.397 2.319 20 30 FEEDLO N#Cc1ccsc1N1CC[C@@H]([NH2+][C@H](CO)c2ccc(F)cc2F)C1=O ZINC000595866546 673332362 /nfs/dbraw/zinc/33/23/62/673332362.db2.gz IRRKJNTTWKIATA-HUUCEWRRSA-N 1 2 363.389 2.326 20 30 FEEDLO COCC[N@H+](Cc1ccc(C(C)(C)C#N)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000614177301 676163285 /nfs/dbraw/zinc/16/32/85/676163285.db2.gz OVKFHXQXEQYCOI-KRWDZBQOSA-N 1 2 350.484 2.123 20 30 FEEDLO COCC[N@@H+](Cc1ccc(C(C)(C)C#N)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000614177301 676163286 /nfs/dbraw/zinc/16/32/86/676163286.db2.gz OVKFHXQXEQYCOI-KRWDZBQOSA-N 1 2 350.484 2.123 20 30 FEEDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NS(=O)(=O)CC2(C#N)CC2)c(C)c1 ZINC000547331078 673843710 /nfs/dbraw/zinc/84/37/10/673843710.db2.gz KRPIBRVSKFHZAJ-KRWDZBQOSA-N 1 2 358.467 2.464 20 30 FEEDLO CN(CC(F)(F)F)C(=O)C[NH+]1CCC(Nc2ccccc2C#N)CC1 ZINC000602895439 673913601 /nfs/dbraw/zinc/91/36/01/673913601.db2.gz NTNSYVOHOJMFRY-UHFFFAOYSA-N 1 2 354.376 2.455 20 30 FEEDLO C[N@@H+]1CCc2c(cccc2S(=O)(=O)N2Cc3ccc(C#N)cc3C2)C1 ZINC000603373725 673927289 /nfs/dbraw/zinc/92/72/89/673927289.db2.gz FTOGPZJQERRDRC-UHFFFAOYSA-N 1 2 353.447 2.251 20 30 FEEDLO C[N@H+]1CCc2c(cccc2S(=O)(=O)N2Cc3ccc(C#N)cc3C2)C1 ZINC000603373725 673927292 /nfs/dbraw/zinc/92/72/92/673927292.db2.gz FTOGPZJQERRDRC-UHFFFAOYSA-N 1 2 353.447 2.251 20 30 FEEDLO N#Cc1ccccc1CSCCNC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000548609394 673979773 /nfs/dbraw/zinc/97/97/73/673979773.db2.gz NBSJTUOTZWPFFE-MRXNPFEDSA-N 1 2 355.467 2.302 20 30 FEEDLO CCOc1cc(Br)ccc1NC[C@H](O)C[N@H+](C)CCC#N ZINC000819461599 675292138 /nfs/dbraw/zinc/29/21/38/675292138.db2.gz ZPTPKLYGAYUJIP-ZDUSSCGKSA-N 1 2 356.264 2.466 20 30 FEEDLO CCOc1cc(Br)ccc1NC[C@H](O)C[N@@H+](C)CCC#N ZINC000819461599 675292140 /nfs/dbraw/zinc/29/21/40/675292140.db2.gz ZPTPKLYGAYUJIP-ZDUSSCGKSA-N 1 2 356.264 2.466 20 30 FEEDLO C#C[C@@H](NC(=O)N(C)CC[NH+]1CCOCC1)c1ccc(Cl)cc1F ZINC000820737661 675383719 /nfs/dbraw/zinc/38/37/19/675383719.db2.gz INQQXCNDQQNFCX-MRXNPFEDSA-N 1 2 353.825 2.127 20 30 FEEDLO C#CCn1ccc(CN(CC)C(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)n1 ZINC000822530740 675490799 /nfs/dbraw/zinc/49/07/99/675490799.db2.gz ASWUJTPFEUVUSH-CQSZACIVSA-N 1 2 353.348 2.255 20 30 FEEDLO C=CC[N@H+](CCc1ccco1)CC(=O)Nc1sccc1-c1nn[nH]n1 ZINC000823910190 675576785 /nfs/dbraw/zinc/57/67/85/675576785.db2.gz YSJIXIPTJKVVLM-UHFFFAOYSA-N 1 2 358.427 2.190 20 30 FEEDLO C=CC[N@@H+](CCc1ccco1)CC(=O)Nc1sccc1-c1nn[nH]n1 ZINC000823910190 675576787 /nfs/dbraw/zinc/57/67/87/675576787.db2.gz YSJIXIPTJKVVLM-UHFFFAOYSA-N 1 2 358.427 2.190 20 30 FEEDLO C=CC[C@@H]1CC[N@H+](CC(=O)N([C@@H]2CCS(=O)(=O)C2)C2CCCCC2)C1 ZINC000625701656 676669294 /nfs/dbraw/zinc/66/92/94/676669294.db2.gz BCXIXQRFEIRQQK-SJLPKXTDSA-N 1 2 368.543 2.233 20 30 FEEDLO C=CC[C@@H]1CC[N@@H+](CC(=O)N([C@@H]2CCS(=O)(=O)C2)C2CCCCC2)C1 ZINC000625701656 676669295 /nfs/dbraw/zinc/66/92/95/676669295.db2.gz BCXIXQRFEIRQQK-SJLPKXTDSA-N 1 2 368.543 2.233 20 30 FEEDLO C=CC[N@H+]([C@@H]1CCS(=O)(=O)C1)[C@H]1CCc2cc(OC)c(OC)cc21 ZINC000637961892 677136925 /nfs/dbraw/zinc/13/69/25/677136925.db2.gz FUDGOQXIOWMIPM-ZBFHGGJFSA-N 1 2 351.468 2.366 20 30 FEEDLO C=CC[N@@H+]([C@@H]1CCS(=O)(=O)C1)[C@H]1CCc2cc(OC)c(OC)cc21 ZINC000637961892 677136926 /nfs/dbraw/zinc/13/69/26/677136926.db2.gz FUDGOQXIOWMIPM-ZBFHGGJFSA-N 1 2 351.468 2.366 20 30 FEEDLO Cn1cc(C(=O)NC[C@H]2CCC[N@@H+]2CC#Cc2ccccc2Cl)cn1 ZINC000639971449 677170340 /nfs/dbraw/zinc/17/03/40/677170340.db2.gz DLIGJEJRCLUCSE-QGZVFWFLSA-N 1 2 356.857 2.319 20 30 FEEDLO Cn1cc(C(=O)NC[C@H]2CCC[N@H+]2CC#Cc2ccccc2Cl)cn1 ZINC000639971449 677170341 /nfs/dbraw/zinc/17/03/41/677170341.db2.gz DLIGJEJRCLUCSE-QGZVFWFLSA-N 1 2 356.857 2.319 20 30 FEEDLO CC#CC[NH2+]Cc1cn(Cc2c(F)ccc(Br)c2F)nn1 ZINC000641172859 677196046 /nfs/dbraw/zinc/19/60/46/677196046.db2.gz BZRSGPUPMYGFAD-UHFFFAOYSA-N 1 2 355.186 2.480 20 30 FEEDLO C=CC[C@H]1CC[C@@H](Nc2ccc(N3CCN(S(C)(=O)=O)CC3)[nH+]c2)C1 ZINC000651754621 677449482 /nfs/dbraw/zinc/44/94/82/677449482.db2.gz JJQCDCYMSDBTEJ-JKSUJKDBSA-N 1 2 364.515 2.320 20 30 FEEDLO CON1CCC([N@H+](C)CC(=O)[C@@H](C#N)c2nc3ccccc3s2)CC1 ZINC000839130691 680740273 /nfs/dbraw/zinc/74/02/73/680740273.db2.gz ABYDBVATOUAOOC-CQSZACIVSA-N 1 2 358.467 2.430 20 30 FEEDLO CON1CCC([N@@H+](C)CC(=O)[C@@H](C#N)c2nc3ccccc3s2)CC1 ZINC000839130691 680740275 /nfs/dbraw/zinc/74/02/75/680740275.db2.gz ABYDBVATOUAOOC-CQSZACIVSA-N 1 2 358.467 2.430 20 30 FEEDLO C=C(Br)C[N@@H+]1CC[C@@]2(NC(=O)[C@H]3OCC[C@H]3C)CCC[C@@H]12 ZINC000992212648 680096914 /nfs/dbraw/zinc/09/69/14/680096914.db2.gz XQWVCHTZBQMQJO-UYHMYPTGSA-N 1 2 357.292 2.433 20 30 FEEDLO C=C(Br)C[N@H+]1CC[C@@]2(NC(=O)[C@H]3OCC[C@H]3C)CCC[C@@H]12 ZINC000992212648 680096918 /nfs/dbraw/zinc/09/69/18/680096918.db2.gz XQWVCHTZBQMQJO-UYHMYPTGSA-N 1 2 357.292 2.433 20 30 FEEDLO Cc1nn(C)c(N2CCOCC2)c1C=[NH+]Nc1cc(F)c(F)c(F)c1 ZINC000755756150 680433777 /nfs/dbraw/zinc/43/37/77/680433777.db2.gz ROTDUHPIDVBOHF-UHFFFAOYSA-N 1 2 353.348 2.428 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](CC(=C)Br)C1 ZINC001034405045 680434948 /nfs/dbraw/zinc/43/49/48/680434948.db2.gz XSCNZASWVLFGQT-KFWWJZLASA-N 1 2 357.292 2.457 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](CC(=C)Br)C1 ZINC001034405045 680434949 /nfs/dbraw/zinc/43/49/49/680434949.db2.gz XSCNZASWVLFGQT-KFWWJZLASA-N 1 2 357.292 2.457 20 30 FEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)C1 ZINC001034442857 680436187 /nfs/dbraw/zinc/43/61/87/680436187.db2.gz TWAHGHZNJXTLRK-BRWVUGGUSA-N 1 2 366.893 2.011 20 30 FEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)C1 ZINC001034442857 680436188 /nfs/dbraw/zinc/43/61/88/680436188.db2.gz TWAHGHZNJXTLRK-BRWVUGGUSA-N 1 2 366.893 2.011 20 30 FEEDLO C=C(Br)C[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2c2cnn(C)c2)CC1 ZINC001003671655 680539140 /nfs/dbraw/zinc/53/91/40/680539140.db2.gz IZSOTTRMBSMHIJ-LSDHHAIUSA-N 1 2 367.291 2.013 20 30 FEEDLO C=C(Br)C[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC001005738911 680584080 /nfs/dbraw/zinc/58/40/80/680584080.db2.gz URXYLACGIFSPQK-LEOABGAYSA-N 1 2 369.303 2.241 20 30 FEEDLO CC(C)(C)C#CC(=O)NCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000837350081 680590674 /nfs/dbraw/zinc/59/06/74/680590674.db2.gz PGLAPOQVTLBHQS-UHFFFAOYSA-N 1 2 351.491 2.095 20 30 FEEDLO CC(C)(CN=Nc1nc(Br)cn2ccnc12)[NH+]1CCOCC1 ZINC000841629652 680904124 /nfs/dbraw/zinc/90/41/24/680904124.db2.gz QVUTXYKAXZTOKL-UHFFFAOYSA-N 1 2 367.251 2.000 20 30 FEEDLO C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1CNc1snc(Cl)c1C#N ZINC001054570688 681113417 /nfs/dbraw/zinc/11/34/17/681113417.db2.gz IOGJCYOPYINVJF-NXEZZACHSA-N 1 2 364.862 2.140 20 30 FEEDLO C#C[C@@H](NC(=O)N1CC[NH+](Cc2ccc(CC)s2)CC1)[C@@H]1CCCO1 ZINC000773556489 681148214 /nfs/dbraw/zinc/14/82/14/681148214.db2.gz DFHIUJPFNYSJNW-MSOLQXFVSA-N 1 2 361.511 2.319 20 30 FEEDLO C[N@H+](CC(=O)[C@H](C#N)C(=O)Nc1ccccc1Cl)[C@@H]1CCSC1 ZINC000773979582 681163087 /nfs/dbraw/zinc/16/30/87/681163087.db2.gz INYMRHLEAKWJBI-NEPJUHHUSA-N 1 2 351.859 2.425 20 30 FEEDLO C[N@@H+](CC(=O)[C@H](C#N)C(=O)Nc1ccccc1Cl)[C@@H]1CCSC1 ZINC000773979582 681163088 /nfs/dbraw/zinc/16/30/88/681163088.db2.gz INYMRHLEAKWJBI-NEPJUHHUSA-N 1 2 351.859 2.425 20 30 FEEDLO Cc1cccc(S(=O)(=O)CCC[NH+]2CCC3(CC2)CC(=O)C=CO3)c1 ZINC000933649320 681445703 /nfs/dbraw/zinc/44/57/03/681445703.db2.gz ZDWSWQRBCMFCKS-UHFFFAOYSA-N 1 2 363.479 2.497 20 30 FEEDLO C=CC1(CC(=O)N2CC[C@@H](OCC[NH+]3CCOCC3)C2)CCCCC1 ZINC000934722366 681616013 /nfs/dbraw/zinc/61/60/13/681616013.db2.gz RIASXBMBIZWJRR-GOSISDBHSA-N 1 2 350.503 2.463 20 30 FEEDLO C=C(Cl)C(C)(C)C(=O)N1CC[C@@](C)(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000957160666 681885884 /nfs/dbraw/zinc/88/58/84/681885884.db2.gz WYCMSJQXZDXLDC-SNUQEOBHSA-N 1 2 364.877 2.399 20 30 FEEDLO C=C(Cl)C(C)(C)C(=O)N1CC[C@@](C)(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000957160666 681885886 /nfs/dbraw/zinc/88/58/86/681885886.db2.gz WYCMSJQXZDXLDC-SNUQEOBHSA-N 1 2 364.877 2.399 20 30 FEEDLO Cc1ccc(-n2c(Cl)c(C=[NH+]N3CCN(C)CC3)nc2N(C)C)cc1 ZINC000915933527 685519754 /nfs/dbraw/zinc/51/97/54/685519754.db2.gz ATCFUVZFSWVQJM-UHFFFAOYSA-N 1 2 360.893 2.481 20 30 FEEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCC2=C(CCC(=O)N2)C1 ZINC000852299410 682256066 /nfs/dbraw/zinc/25/60/66/682256066.db2.gz RNQSASJKWZTMSU-NSHDSACASA-N 1 2 358.829 2.408 20 30 FEEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCC2=C(CCC(=O)N2)C1 ZINC000852299410 682256068 /nfs/dbraw/zinc/25/60/68/682256068.db2.gz RNQSASJKWZTMSU-NSHDSACASA-N 1 2 358.829 2.408 20 30 FEEDLO N#Cc1ccc(Br)c(C[N@@H+]2CC[C@@H](N3CCOC3=O)C2)c1 ZINC000852437718 682278967 /nfs/dbraw/zinc/27/89/67/682278967.db2.gz FXHZCUOEUSQEEV-CYBMUJFWSA-N 1 2 350.216 2.347 20 30 FEEDLO N#Cc1ccc(Br)c(C[N@H+]2CC[C@@H](N3CCOC3=O)C2)c1 ZINC000852437718 682278971 /nfs/dbraw/zinc/27/89/71/682278971.db2.gz FXHZCUOEUSQEEV-CYBMUJFWSA-N 1 2 350.216 2.347 20 30 FEEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2C2CCOCC2)C1 ZINC000971931420 682381135 /nfs/dbraw/zinc/38/11/35/682381135.db2.gz KKCGHKFBXRKMAC-OWCLPIDISA-N 1 2 371.319 2.490 20 30 FEEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2C2CCOCC2)C1 ZINC000971931420 682381140 /nfs/dbraw/zinc/38/11/40/682381140.db2.gz KKCGHKFBXRKMAC-OWCLPIDISA-N 1 2 371.319 2.490 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2c(C)nn(C)c2Cl)C1 ZINC000972371770 682411112 /nfs/dbraw/zinc/41/11/12/682411112.db2.gz AZKHWHRMIFARKU-FMKPAKJESA-N 1 2 366.893 2.006 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2c(C)nn(C)c2Cl)C1 ZINC000972371770 682411113 /nfs/dbraw/zinc/41/11/13/682411113.db2.gz AZKHWHRMIFARKU-FMKPAKJESA-N 1 2 366.893 2.006 20 30 FEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2snnc2C)C1 ZINC000972513097 682418137 /nfs/dbraw/zinc/41/81/37/682418137.db2.gz IHKVPFTUAZDLHQ-ZOBUZTSGSA-N 1 2 364.515 2.251 20 30 FEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2snnc2C)C1 ZINC000972513097 682418140 /nfs/dbraw/zinc/41/81/40/682418140.db2.gz IHKVPFTUAZDLHQ-ZOBUZTSGSA-N 1 2 364.515 2.251 20 30 FEEDLO C=CC[N@H+](Cn1nc(C(=O)OC)c(Br)c1C)[C@H](C)COC ZINC000853533056 682429434 /nfs/dbraw/zinc/42/94/34/682429434.db2.gz STPZLSYJUPNPQG-SNVBAGLBSA-N 1 2 360.252 2.221 20 30 FEEDLO C=CC[N@@H+](Cn1nc(C(=O)OC)c(Br)c1C)[C@H](C)COC ZINC000853533056 682429437 /nfs/dbraw/zinc/42/94/37/682429437.db2.gz STPZLSYJUPNPQG-SNVBAGLBSA-N 1 2 360.252 2.221 20 30 FEEDLO C#CCC[N@@H+](CCOC)Cn1c2cc(Br)ccc2oc1=O ZINC000853620781 682446646 /nfs/dbraw/zinc/44/66/46/682446646.db2.gz DEMPUOYXEMOOFM-UHFFFAOYSA-N 1 2 353.216 2.286 20 30 FEEDLO C#CCC[N@H+](CCOC)Cn1c2cc(Br)ccc2oc1=O ZINC000853620781 682446649 /nfs/dbraw/zinc/44/66/49/682446649.db2.gz DEMPUOYXEMOOFM-UHFFFAOYSA-N 1 2 353.216 2.286 20 30 FEEDLO CN(C)c1ccc([NH+]2CCC(NS(=O)(=O)CC(C)(C)C#N)CC2)cc1 ZINC000790027829 682648973 /nfs/dbraw/zinc/64/89/73/682648973.db2.gz SWRUJUOSDVRWCP-UHFFFAOYSA-N 1 2 364.515 2.191 20 30 FEEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C#Cc1ccc(C(F)(F)F)cc1 ZINC000790134037 682657605 /nfs/dbraw/zinc/65/76/05/682657605.db2.gz ZZDZNIPHFYUFJT-CQSZACIVSA-N 1 2 354.372 2.236 20 30 FEEDLO N#CCCCS(=O)(=O)c1ccc(C(=O)OCc2cc[nH+]c(N)c2)cc1 ZINC000791795484 682766782 /nfs/dbraw/zinc/76/67/82/682766782.db2.gz RQLUMDMLNBNJCQ-UHFFFAOYSA-N 1 2 359.407 2.098 20 30 FEEDLO C[NH+](C)Cc1cnc(/C=C/C(=O)c2cccc(NS(C)(=O)=O)c2)s1 ZINC000794707123 682991367 /nfs/dbraw/zinc/99/13/67/682991367.db2.gz KHBOZOCRVGJUHK-BQYQJAHWSA-N 1 2 365.480 2.472 20 30 FEEDLO C[NH+](C)Cc1cnc(/C=C/C(=O)c2ccc(NS(C)(=O)=O)cc2)s1 ZINC000794709106 682991909 /nfs/dbraw/zinc/99/19/09/682991909.db2.gz XIMOHHYVLNIEQD-CMDGGOBGSA-N 1 2 365.480 2.472 20 30 FEEDLO Cn1c[nH+]cc1[C@H]1CCCCN1S(=O)(=O)Cc1csc(C#N)c1 ZINC000919974322 683310944 /nfs/dbraw/zinc/31/09/44/683310944.db2.gz KTLWYXLOQDKGJG-CQSZACIVSA-N 1 2 350.469 2.410 20 30 FEEDLO C=CCN1CC[C@H]([N@H+]2CCN(C(=O)OC(C)(C)C)C[C@H]2CCC)C1=O ZINC000799163720 683431145 /nfs/dbraw/zinc/43/11/45/683431145.db2.gz MZPLJPNVLQKKGU-CVEARBPZSA-N 1 2 351.491 2.495 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+]2CCN(C(=O)OC(C)(C)C)C[C@H]2CCC)C1=O ZINC000799163720 683431147 /nfs/dbraw/zinc/43/11/47/683431147.db2.gz MZPLJPNVLQKKGU-CVEARBPZSA-N 1 2 351.491 2.495 20 30 FEEDLO C=C(Cl)C[C@H]1NC(=O)N(Cc2cc[nH+]c(N3CCSCC3)c2)C1=O ZINC000865318005 683967404 /nfs/dbraw/zinc/96/74/04/683967404.db2.gz USQTWWSFXBFFPH-CYBMUJFWSA-N 1 2 366.874 2.198 20 30 FEEDLO N#C[C@@H](NC(=O)/C=C\C[NH+]1CCOCC1)c1cccc(C(F)(F)F)c1 ZINC000865658676 684011148 /nfs/dbraw/zinc/01/11/48/684011148.db2.gz WESRJSKEIJGJDQ-ZSQCLPQSSA-N 1 2 353.344 2.275 20 30 FEEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2cc(OC)c(Br)s2)C1 ZINC000923566600 684306801 /nfs/dbraw/zinc/30/68/01/684306801.db2.gz MMDXQLSUXPOMNS-JTQLQIEISA-N 1 2 357.273 2.347 20 30 FEEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cc(OC)c(Br)s2)C1 ZINC000923566600 684306806 /nfs/dbraw/zinc/30/68/06/684306806.db2.gz MMDXQLSUXPOMNS-JTQLQIEISA-N 1 2 357.273 2.347 20 30 FEEDLO CC(C)C[N@H+](CCC#N)Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000876529643 686215631 /nfs/dbraw/zinc/21/56/31/686215631.db2.gz JCSIUPIZEQQRHP-UHFFFAOYSA-N 1 2 374.304 2.468 20 30 FEEDLO CC(C)C[N@@H+](CCC#N)Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000876529643 686215635 /nfs/dbraw/zinc/21/56/35/686215635.db2.gz JCSIUPIZEQQRHP-UHFFFAOYSA-N 1 2 374.304 2.468 20 30 FEEDLO COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCC[N@@H+]1C[C@@H](C)CCC#N ZINC000877524303 686401328 /nfs/dbraw/zinc/40/13/28/686401328.db2.gz UNZWSLJTIUCJNR-LSDHHAIUSA-N 1 2 353.463 2.411 20 30 FEEDLO COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCC[N@H+]1C[C@@H](C)CCC#N ZINC000877524303 686401332 /nfs/dbraw/zinc/40/13/32/686401332.db2.gz UNZWSLJTIUCJNR-LSDHHAIUSA-N 1 2 353.463 2.411 20 30 FEEDLO C=C(Cl)C[C@@H]([NH2+]C1CCC(CS(C)(=O)=O)CC1)C(=O)OCC ZINC000877670948 686434001 /nfs/dbraw/zinc/43/40/01/686434001.db2.gz CSKMSGSHUCKSAV-JXQTWKCFSA-N 1 2 351.896 2.254 20 30 FEEDLO CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1C[NH+]1CCN(CCC#N)CC1 ZINC000877747817 686449420 /nfs/dbraw/zinc/44/94/20/686449420.db2.gz DQSUWZSJWOYLLB-CQSZACIVSA-N 1 2 358.433 2.162 20 30 FEEDLO CC(=O)[C@@](C#N)(CC[N@@H+]1CCCC[C@@H](S(C)(=O)=O)C1)c1ccccc1 ZINC000878519053 686599882 /nfs/dbraw/zinc/59/98/82/686599882.db2.gz ZJAAOHVGWRCQKD-MOPGFXCFSA-N 1 2 362.495 2.326 20 30 FEEDLO CC(=O)[C@@](C#N)(CC[N@H+]1CCCC[C@@H](S(C)(=O)=O)C1)c1ccccc1 ZINC000878519053 686599887 /nfs/dbraw/zinc/59/98/87/686599887.db2.gz ZJAAOHVGWRCQKD-MOPGFXCFSA-N 1 2 362.495 2.326 20 30 FEEDLO CO[C@]1(C(F)(F)F)CC[N@@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000880304218 687029834 /nfs/dbraw/zinc/02/98/34/687029834.db2.gz MEKZMPWIAHBXJK-GDBMZVCRSA-N 1 2 353.344 2.317 20 30 FEEDLO CO[C@]1(C(F)(F)F)CC[N@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000880304218 687029838 /nfs/dbraw/zinc/02/98/38/687029838.db2.gz MEKZMPWIAHBXJK-GDBMZVCRSA-N 1 2 353.344 2.317 20 30 FEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1ccc(COC)c(C(F)(F)F)c1 ZINC000884406091 687865321 /nfs/dbraw/zinc/86/53/21/687865321.db2.gz LJJSVCHBMUDVDM-ZDUSSCGKSA-N 1 2 360.332 2.237 20 30 FEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC1(c2ccc(F)cc2F)CCCC1 ZINC000884425722 687869243 /nfs/dbraw/zinc/86/92/43/687869243.db2.gz PTGMWBSXDJOUEG-HNNXBMFYSA-N 1 2 352.381 2.297 20 30 FEEDLO N#CCCc1ccc(S(=O)(=O)NCCc2cn3c([nH+]2)CCCC3)cc1 ZINC000884919571 687964908 /nfs/dbraw/zinc/96/49/08/687964908.db2.gz QWFNJAVNKQAFGI-UHFFFAOYSA-N 1 2 358.467 2.197 20 30 FEEDLO C#CCN(C(=O)c1cc(Br)cc(F)c1O)C1CC[NH+](C)CC1 ZINC000886572602 688278051 /nfs/dbraw/zinc/27/80/51/688278051.db2.gz SQBNQFVXRHOWLW-UHFFFAOYSA-N 1 2 369.234 2.463 20 30 FEEDLO C#CCSCC(=O)NC1(c2noc(C[NH+](CC)CC)n2)CCCC1 ZINC000889381416 688766989 /nfs/dbraw/zinc/76/69/89/688766989.db2.gz XGSYADMPDXJKSQ-UHFFFAOYSA-N 1 2 350.488 2.163 20 30 FEEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000891607607 689083216 /nfs/dbraw/zinc/08/32/16/689083216.db2.gz VIBLFPIQVKXCKN-LLVKDONJSA-N 1 2 354.237 2.146 20 30 FEEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000891607607 689083219 /nfs/dbraw/zinc/08/32/19/689083219.db2.gz VIBLFPIQVKXCKN-LLVKDONJSA-N 1 2 354.237 2.146 20 30 FEEDLO Cc1cc(C#N)cc(C)c1C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000893041732 689285867 /nfs/dbraw/zinc/28/58/67/689285867.db2.gz OABGYQBAFBKAEL-LJQANCHMSA-N 1 2 359.495 2.113 20 30 FEEDLO Cc1nn(CCS(C)(=O)=O)c(C)c1C(=O)/C=C\c1c[nH+]cn1C(C)C ZINC000901485230 690650840 /nfs/dbraw/zinc/65/08/40/690650840.db2.gz HFVNGIVUNLOLJS-SREVYHEPSA-N 1 2 364.471 2.218 20 30 FEEDLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1ccc3[nH]c(C#N)cc3n1)C2 ZINC001165008275 721712637 /nfs/dbraw/zinc/71/26/37/721712637.db2.gz DMADPHJNYUYQIY-UHFFFAOYSA-N 1 2 364.457 2.277 20 30 FEEDLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1ccc3[nH]c(C#N)cc3n1)C2 ZINC001165008275 721712639 /nfs/dbraw/zinc/71/26/39/721712639.db2.gz DMADPHJNYUYQIY-UHFFFAOYSA-N 1 2 364.457 2.277 20 30 FEEDLO Cc1c(C#N)c(NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)nc2ccccc12 ZINC000528128253 829270966 /nfs/dbraw/zinc/27/09/66/829270966.db2.gz FAVBEIIJBRRAKV-NRFANRHFSA-N 1 2 366.465 2.443 20 30 FEEDLO Cc1c(C#N)c(NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)nc2ccccc12 ZINC000528128253 829270972 /nfs/dbraw/zinc/27/09/72/829270972.db2.gz FAVBEIIJBRRAKV-NRFANRHFSA-N 1 2 366.465 2.443 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cc4ccccc4[nH]c3=O)CC2)cc1 ZINC000012615413 539568089 /nfs/dbraw/zinc/56/80/89/539568089.db2.gz YFKPADLLHVXICG-UHFFFAOYSA-N 1 2 372.428 2.358 20 30 FEEDLO CC(=O)Nc1cccc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000017843449 539644008 /nfs/dbraw/zinc/64/40/08/539644008.db2.gz IOJKZEIGUIDFLH-UHFFFAOYSA-N 1 2 362.433 2.475 20 30 FEEDLO Cn1cc[nH+]c1[C@H](NS(=O)(=O)c1ccccc1C#N)c1ccccc1 ZINC000017521610 539642394 /nfs/dbraw/zinc/64/23/94/539642394.db2.gz UVXJXQGDCOVRBU-QGZVFWFLSA-N 1 2 352.419 2.360 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C[C@@H](O)COc3ccccc3)CC2)cc1 ZINC000023258967 539710691 /nfs/dbraw/zinc/71/06/91/539710691.db2.gz ABZZFSMIGLRGJW-HXUWFJFHSA-N 1 2 351.450 2.116 20 30 FEEDLO C=CCn1c(=O)c2ccc(C(=O)N3CC[NH+](C(C)C)CC3)cc2[nH]c1=S ZINC000025136732 539749300 /nfs/dbraw/zinc/74/93/00/539749300.db2.gz HFBYUBXODHVKDL-UHFFFAOYSA-N 1 2 372.494 2.037 20 30 FEEDLO Cc1[nH+]c2cc(NC(=O)C(=O)N(C)Cc3cccc(C#N)c3)ccc2n1C ZINC000076253609 542251018 /nfs/dbraw/zinc/25/10/18/542251018.db2.gz BSMAUBUTWIZHGF-UHFFFAOYSA-N 1 2 361.405 2.351 20 30 FEEDLO COc1ccccc1N1CC[NH+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000032830796 539955187 /nfs/dbraw/zinc/95/51/87/539955187.db2.gz ACDRNEYXXHISES-OXQOHEQNSA-N 1 2 358.486 2.260 20 30 FEEDLO C[C@H](C#N)Sc1nnc(-c2ccc(F)cc2)n1CC[NH+]1CCOCC1 ZINC000038335213 539998146 /nfs/dbraw/zinc/99/81/46/539998146.db2.gz QTBXAEYNPMCDBW-CYBMUJFWSA-N 1 2 361.446 2.421 20 30 FEEDLO CC1CCC(NC(=O)CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000041106023 540012166 /nfs/dbraw/zinc/01/21/66/540012166.db2.gz IVMHGANXJPRJSH-UHFFFAOYSA-N 1 2 354.498 2.371 20 30 FEEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+](C)CC(=O)NC(C)(C)C ZINC000042506532 540064812 /nfs/dbraw/zinc/06/48/12/540064812.db2.gz GTUKCEIJCKHHCE-CQSZACIVSA-N 1 2 351.516 2.498 20 30 FEEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+](C)CC(=O)NC(C)(C)C ZINC000042506532 540064814 /nfs/dbraw/zinc/06/48/14/540064814.db2.gz GTUKCEIJCKHHCE-CQSZACIVSA-N 1 2 351.516 2.498 20 30 FEEDLO N#CCSCC(=O)N=c1[nH]c2c(s1)CC[N@H+](Cc1ccccc1)C2 ZINC000044535790 540129409 /nfs/dbraw/zinc/12/94/09/540129409.db2.gz DXSLDILZDXNYGH-UHFFFAOYSA-N 1 2 358.492 2.897 20 30 FEEDLO N#CCSCC(=O)N=c1[nH]c2c(s1)CC[N@@H+](Cc1ccccc1)C2 ZINC000044535790 540129412 /nfs/dbraw/zinc/12/94/12/540129412.db2.gz DXSLDILZDXNYGH-UHFFFAOYSA-N 1 2 358.492 2.897 20 30 FEEDLO CCc1ccccc1NC(=O)CNC(=O)C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000046527918 540261398 /nfs/dbraw/zinc/26/13/98/540261398.db2.gz NBEPRBDYDZKURL-UHFFFAOYSA-N 1 2 364.449 2.307 20 30 FEEDLO CCc1ccccc1NC(=O)CNC(=O)C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000046527918 540261399 /nfs/dbraw/zinc/26/13/99/540261399.db2.gz NBEPRBDYDZKURL-UHFFFAOYSA-N 1 2 364.449 2.307 20 30 FEEDLO C=CCOc1ccc(/C=C/C(=O)N[C@H](C)C[NH+]2CCOCC2)cc1OC ZINC000046888420 540275275 /nfs/dbraw/zinc/27/52/75/540275275.db2.gz IWGBGPUDPCJWPL-IQIBNGDESA-N 1 2 360.454 2.110 20 30 FEEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)c2ccc(-c3ccco3)[nH]c2=O)c1C#N ZINC000534061875 540320212 /nfs/dbraw/zinc/32/02/12/540320212.db2.gz CGWBMBXVHAAZBC-UHFFFAOYSA-N 1 2 366.381 2.046 20 30 FEEDLO O=C(NCC#Cc1ccccc1)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000047740884 540326305 /nfs/dbraw/zinc/32/63/05/540326305.db2.gz NWCARHAVSZKKLH-SFHVURJKSA-N 1 2 369.490 2.472 20 30 FEEDLO CC(C)(C)n1cc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cn1 ZINC000048163658 540348997 /nfs/dbraw/zinc/34/89/97/540348997.db2.gz NXJUZGQYXSTHAQ-UHFFFAOYSA-N 1 2 351.454 2.468 20 30 FEEDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)C(=O)Nc1ccc(C#N)cc1 ZINC000048932761 540377395 /nfs/dbraw/zinc/37/73/95/540377395.db2.gz CWVJSWQLIMDPSS-UHFFFAOYSA-N 1 2 361.405 2.361 20 30 FEEDLO CC(=O)NC1CC[NH+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000050992744 540418615 /nfs/dbraw/zinc/41/86/15/540418615.db2.gz WISOQTLIFXZRAV-UHFFFAOYSA-N 1 2 374.510 2.428 20 30 FEEDLO C=C(Br)C[NH+]1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000052440084 540466148 /nfs/dbraw/zinc/46/61/48/540466148.db2.gz OFKJLZHALLMYPA-UHFFFAOYSA-N 1 2 365.318 2.399 20 30 FEEDLO C[C@@H](C(=O)Nc1cccc(F)c1)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000052355348 540463955 /nfs/dbraw/zinc/46/39/55/540463955.db2.gz LMJOTJNKFZRMRR-AWEZNQCLSA-N 1 2 353.401 2.242 20 30 FEEDLO C=C(C)CN(CC)C(=O)C[NH+]1CCC(n2c3ccccc3[nH]c2=O)CC1 ZINC000052712669 540484727 /nfs/dbraw/zinc/48/47/27/540484727.db2.gz CPBIHKUPPXRYAN-UHFFFAOYSA-N 1 2 356.470 2.391 20 30 FEEDLO CC(C)N(C(=O)C[NH+]1CCN(c2cc(C#N)ccn2)CC1)C1CCCC1 ZINC000052508713 540469879 /nfs/dbraw/zinc/46/98/79/540469879.db2.gz QKOIIDIPHBBXFI-UHFFFAOYSA-N 1 2 355.486 2.255 20 30 FEEDLO C=CC[N@@H+](CC(=O)N[C@H](C(=O)NC)c1ccccc1)Cc1ccccc1 ZINC000052579344 540474861 /nfs/dbraw/zinc/47/48/61/540474861.db2.gz ADXKJHXQDRMXFQ-FQEVSTJZSA-N 1 2 351.450 2.278 20 30 FEEDLO C=CC[N@H+](CC(=O)N[C@H](C(=O)NC)c1ccccc1)Cc1ccccc1 ZINC000052579344 540474864 /nfs/dbraw/zinc/47/48/64/540474864.db2.gz ADXKJHXQDRMXFQ-FQEVSTJZSA-N 1 2 351.450 2.278 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CN3CCc4ccccc43)CC2)cc1 ZINC000052872874 540497131 /nfs/dbraw/zinc/49/71/31/540497131.db2.gz CCUGWBXRLNDPLF-UHFFFAOYSA-N 1 2 360.461 2.265 20 30 FEEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](C(=O)NCC3CC3)C2)c(C#N)c1C ZINC000052931372 540500223 /nfs/dbraw/zinc/50/02/23/540500223.db2.gz FKZBCVVJVNLDME-BBRMVZONSA-N 1 2 372.469 2.333 20 30 FEEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](C(=O)NCC3CC3)C2)c(C#N)c1C ZINC000052931372 540500224 /nfs/dbraw/zinc/50/02/24/540500224.db2.gz FKZBCVVJVNLDME-BBRMVZONSA-N 1 2 372.469 2.333 20 30 FEEDLO CCOCCOCc1cccc(CNC(=O)C[NH+]2CCC(C#N)CC2)c1 ZINC000057874554 540821124 /nfs/dbraw/zinc/82/11/24/540821124.db2.gz CDGJRGFVFSAFSS-UHFFFAOYSA-N 1 2 359.470 2.091 20 30 FEEDLO CCCN(CC(=O)Nc1ccccc1OC)C(=O)C[NH+]1CCC(C#N)CC1 ZINC000057906471 540822956 /nfs/dbraw/zinc/82/29/56/540822956.db2.gz GFDLWRJPHOZZHR-UHFFFAOYSA-N 1 2 372.469 2.108 20 30 FEEDLO N#CC1CCN(C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)CC1 ZINC000057990793 540825766 /nfs/dbraw/zinc/82/57/66/540825766.db2.gz DEYXUYMQZOXLNK-UHFFFAOYSA-N 1 2 369.469 2.035 20 30 FEEDLO NC(=O)c1ccc(CO[NH+]=C(N)c2ccc(N3CCCCC3)nc2)cc1 ZINC000064430413 541206127 /nfs/dbraw/zinc/20/61/27/541206127.db2.gz QWZYNWYRTISXRI-UHFFFAOYSA-N 1 2 353.426 2.008 20 30 FEEDLO C#CC[N@H+](CC(=O)NC1CCC2(CC1)OCCO2)Cc1ccc(F)cc1 ZINC000068334293 541578152 /nfs/dbraw/zinc/57/81/52/541578152.db2.gz FDHXRBBDACYOEP-UHFFFAOYSA-N 1 2 360.429 2.063 20 30 FEEDLO C#CC[N@@H+](CC(=O)NC1CCC2(CC1)OCCO2)Cc1ccc(F)cc1 ZINC000068334293 541578157 /nfs/dbraw/zinc/57/81/57/541578157.db2.gz FDHXRBBDACYOEP-UHFFFAOYSA-N 1 2 360.429 2.063 20 30 FEEDLO C=CCn1c(=O)c2ccc(C(=O)N3CCC[C@H]([NH+](C)C)C3)cc2[nH]c1=S ZINC000068486342 541598521 /nfs/dbraw/zinc/59/85/21/541598521.db2.gz CWJNNKNGBUFOAF-AWEZNQCLSA-N 1 2 372.494 2.037 20 30 FEEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)c1C#N ZINC000544590775 541792312 /nfs/dbraw/zinc/79/23/12/541792312.db2.gz TUMSHPMBVPVKJA-JTQLQIEISA-N 1 2 374.376 2.223 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3COc4ccccc4C3)CC2)cc1 ZINC000017843755 220218774 /nfs/dbraw/zinc/21/87/74/220218774.db2.gz JVQASNYWFJEJGC-FQEVSTJZSA-N 1 2 361.445 2.454 20 30 FEEDLO CC(C)c1noc([C@H](C)ON=C(N)c2cccc(C[NH+]3CCOCC3)c2)n1 ZINC000072920323 541893994 /nfs/dbraw/zinc/89/39/94/541893994.db2.gz PSMWKWUQYMQMON-AWEZNQCLSA-N 1 2 373.457 2.423 20 30 FEEDLO CC[C@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000073108348 541919471 /nfs/dbraw/zinc/91/94/71/541919471.db2.gz WRPNTFUTFJWTGA-WMZOPIPTSA-N 1 2 355.486 2.255 20 30 FEEDLO N#Cc1cccnc1N1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000074290981 542065055 /nfs/dbraw/zinc/06/50/55/542065055.db2.gz XUCROWCRUODXSE-UHFFFAOYSA-N 1 2 358.405 2.101 20 30 FEEDLO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@@H+]2CC[C@H](O)C2)c1C#N ZINC000074313917 542067533 /nfs/dbraw/zinc/06/75/33/542067533.db2.gz SHHNXZMXFLNERK-KRWDZBQOSA-N 1 2 370.428 2.169 20 30 FEEDLO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@H+]2CC[C@H](O)C2)c1C#N ZINC000074313917 542067536 /nfs/dbraw/zinc/06/75/36/542067536.db2.gz SHHNXZMXFLNERK-KRWDZBQOSA-N 1 2 370.428 2.169 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)CN(C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000075915566 542215920 /nfs/dbraw/zinc/21/59/20/542215920.db2.gz OQBYHBQZVMRXES-FQEVSTJZSA-N 1 2 353.470 2.418 20 30 FEEDLO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000076818298 542323662 /nfs/dbraw/zinc/32/36/62/542323662.db2.gz JXPRNMTZMGZIPJ-DNLDONJPSA-N 1 2 365.524 2.278 20 30 FEEDLO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000076818298 542323664 /nfs/dbraw/zinc/32/36/64/542323664.db2.gz JXPRNMTZMGZIPJ-DNLDONJPSA-N 1 2 365.524 2.278 20 30 FEEDLO CCCNC(=O)C[N@H+](CCC)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000077211965 542355385 /nfs/dbraw/zinc/35/53/85/542355385.db2.gz WWWUTCWJKVYBTL-UHFFFAOYSA-N 1 2 350.850 2.388 20 30 FEEDLO CCCNC(=O)C[N@@H+](CCC)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000077211965 542355388 /nfs/dbraw/zinc/35/53/88/542355388.db2.gz WWWUTCWJKVYBTL-UHFFFAOYSA-N 1 2 350.850 2.388 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccccc1Br ZINC000078687167 542476552 /nfs/dbraw/zinc/47/65/52/542476552.db2.gz URBHXGWYCZGUKL-UHFFFAOYSA-N 1 2 352.276 2.497 20 30 FEEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN(C(=O)c2ccc(OC)cc2)CC1 ZINC000078901610 542486428 /nfs/dbraw/zinc/48/64/28/542486428.db2.gz WEDVVAVOWQCJLI-KRWDZBQOSA-N 1 2 373.497 2.266 20 30 FEEDLO CSc1[nH]c(=O)c(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1C#N ZINC000079134682 542503219 /nfs/dbraw/zinc/50/32/19/542503219.db2.gz ZVHVHADYIAZGEH-HNNXBMFYSA-N 1 2 368.462 2.385 20 30 FEEDLO CSc1[nH]c(=O)c(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1C#N ZINC000079134682 542503222 /nfs/dbraw/zinc/50/32/22/542503222.db2.gz ZVHVHADYIAZGEH-HNNXBMFYSA-N 1 2 368.462 2.385 20 30 FEEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)Cc1csc(Br)c1 ZINC000080722873 542603899 /nfs/dbraw/zinc/60/38/99/542603899.db2.gz QFPYBPUOAHDDQD-VIFPVBQESA-N 1 2 360.277 2.343 20 30 FEEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)Cc1csc(Br)c1 ZINC000080722873 542603902 /nfs/dbraw/zinc/60/39/02/542603902.db2.gz QFPYBPUOAHDDQD-VIFPVBQESA-N 1 2 360.277 2.343 20 30 FEEDLO N#Cc1cccc([C@@H]2C[C@H]2C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)c1 ZINC000080864776 542611782 /nfs/dbraw/zinc/61/17/82/542611782.db2.gz HYQGAYIMAGPAIQ-RBUKOAKNSA-N 1 2 362.433 2.210 20 30 FEEDLO C=CC[NH+]1CCC(NC(=O)C2=NN(c3ccc(F)cc3C)CC2=O)CC1 ZINC000081751157 542675418 /nfs/dbraw/zinc/67/54/18/542675418.db2.gz MOXIZPUUKCQGFX-UHFFFAOYSA-N 1 2 358.417 2.406 20 30 FEEDLO Cc1nc(C2CC[NH+]([C@@H]3CCN(c4sccc4C#N)C3=O)CC2)no1 ZINC000083170002 542693066 /nfs/dbraw/zinc/69/30/66/542693066.db2.gz MYMPTXDVDODKPZ-CQSZACIVSA-N 1 2 357.439 2.296 20 30 FEEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(c2nc[nH]n2)CC1 ZINC000083424463 542697302 /nfs/dbraw/zinc/69/73/02/542697302.db2.gz KPIJBVUVWLUMMG-OAHLLOKOSA-N 1 2 352.442 2.319 20 30 FEEDLO C[C@@H](C(=O)NC1CCC(C)CC1)[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000127489044 132249920 /nfs/dbraw/zinc/24/99/20/132249920.db2.gz OBRHOQJKDOCRHE-PQUAAJSLSA-N 1 2 355.486 2.159 20 30 FEEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)Cc1cccc(OCC#N)c1 ZINC000089777937 542770701 /nfs/dbraw/zinc/77/07/01/542770701.db2.gz KONOOMZRMPFVNX-UHFFFAOYSA-N 1 2 366.421 2.310 20 30 FEEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCc3cc(F)ccc3[C@H]2C)CC1 ZINC000091580454 542813452 /nfs/dbraw/zinc/81/34/52/542813452.db2.gz NAETUOZOCNKXHK-UZLBHIALSA-N 1 2 372.488 2.437 20 30 FEEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCc3cc(F)ccc3[C@H]2C)CC1 ZINC000091580454 542813454 /nfs/dbraw/zinc/81/34/54/542813454.db2.gz NAETUOZOCNKXHK-UZLBHIALSA-N 1 2 372.488 2.437 20 30 FEEDLO CC(C)[C@@H](C)NC(=O)C1CC[NH+](CC(=O)Nc2sccc2C#N)CC1 ZINC000101549635 543030565 /nfs/dbraw/zinc/03/05/65/543030565.db2.gz TVMDDTBYMAFPRL-CYBMUJFWSA-N 1 2 362.499 2.431 20 30 FEEDLO Cc1noc(C)c1C[NH+]1CCN(CCC(=O)Nc2ccccc2C#N)CC1 ZINC000103470440 543109568 /nfs/dbraw/zinc/10/95/68/543109568.db2.gz YMHPQYCIFNBDHI-UHFFFAOYSA-N 1 2 367.453 2.310 20 30 FEEDLO C=CCn1c(=O)c2ccc(C(=O)N3CCC[N@@H+](CC)CC3)cc2[nH]c1=S ZINC000110815130 543369357 /nfs/dbraw/zinc/36/93/57/543369357.db2.gz VYHCADHBSRESMI-UHFFFAOYSA-N 1 2 372.494 2.039 20 30 FEEDLO C=CCn1c(=O)c2ccc(C(=O)N3CCC[N@H+](CC)CC3)cc2[nH]c1=S ZINC000110815130 543369361 /nfs/dbraw/zinc/36/93/61/543369361.db2.gz VYHCADHBSRESMI-UHFFFAOYSA-N 1 2 372.494 2.039 20 30 FEEDLO N#Cc1cccc(C[NH+]2CCN([C@@H]3CCN(c4ccccc4)C3=O)CC2)c1 ZINC000112705540 543458861 /nfs/dbraw/zinc/45/88/61/543458861.db2.gz MFMAFUGFINSJKL-OAQYLSRUSA-N 1 2 360.461 2.481 20 30 FEEDLO CCCNC(=O)c1cccc(C[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)c1 ZINC000115597243 543576793 /nfs/dbraw/zinc/57/67/93/543576793.db2.gz JUTAPRLYUQUGTR-SFHVURJKSA-N 1 2 350.422 2.014 20 30 FEEDLO C=CCCS(=O)(=O)NCCC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000119938862 543674273 /nfs/dbraw/zinc/67/42/73/543674273.db2.gz HMVWIFWNPBAASL-UHFFFAOYSA-N 1 2 371.934 2.348 20 30 FEEDLO CCC[N@H+](CC(=O)NC)CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000120180323 543677125 /nfs/dbraw/zinc/67/71/25/543677125.db2.gz GQQPXKGQITZBRR-AWEZNQCLSA-N 1 2 362.499 2.477 20 30 FEEDLO CCC[N@@H+](CC(=O)NC)CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000120180323 543677128 /nfs/dbraw/zinc/67/71/28/543677128.db2.gz GQQPXKGQITZBRR-AWEZNQCLSA-N 1 2 362.499 2.477 20 30 FEEDLO C=CCCOCCNC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000122475073 543707045 /nfs/dbraw/zinc/70/70/45/543707045.db2.gz ABUMIYBXJJKDEQ-IYBDPMFKSA-N 1 2 362.474 2.087 20 30 FEEDLO Cc1cccn2cc(CCNS(=O)(=O)c3ccc(F)cc3C#N)[nH+]c12 ZINC000124345913 543815556 /nfs/dbraw/zinc/81/55/56/543815556.db2.gz UCLAEFCFTFFYNI-UHFFFAOYSA-N 1 2 358.398 2.175 20 30 FEEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCN(CC(F)F)CC1 ZINC000127118064 543974287 /nfs/dbraw/zinc/97/42/87/543974287.db2.gz HAVFBFQXZVBAMV-CSLYMUCUSA-N 1 2 356.461 2.188 20 30 FEEDLO N#Cc1cnc(N2CC[NH+](Cc3ccc(Br)cc3)CC2)cn1 ZINC000127504927 543997676 /nfs/dbraw/zinc/99/76/76/543997676.db2.gz OXXZFYMRAWMDAV-UHFFFAOYSA-N 1 2 358.243 2.433 20 30 FEEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(c2cc(C#N)ccc2C(F)(F)F)CC1 ZINC000127629619 544004646 /nfs/dbraw/zinc/00/46/46/544004646.db2.gz JERIODUZEOMLLH-GFCCVEGCSA-N 1 2 366.387 2.366 20 30 FEEDLO C=CCC[C@@H](NC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)c1ccccc1 ZINC000131037626 544174828 /nfs/dbraw/zinc/17/48/28/544174828.db2.gz KMYJSYIRMUFHIZ-RBUKOAKNSA-N 1 2 361.486 2.028 20 30 FEEDLO N#Cc1cc(F)ccc1NC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000097473682 222182712 /nfs/dbraw/zinc/18/27/12/222182712.db2.gz LBXCKKPHQIMMLX-KRWDZBQOSA-N 1 2 364.446 2.027 20 30 FEEDLO Cn1ncc2c1CCC[C@H]2[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000135584757 544354367 /nfs/dbraw/zinc/35/43/67/544354367.db2.gz WIXSIXOEHYINLZ-QGZVFWFLSA-N 1 2 358.467 2.075 20 30 FEEDLO Cn1ncc2c1CCC[C@H]2[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000135584757 544354370 /nfs/dbraw/zinc/35/43/70/544354370.db2.gz WIXSIXOEHYINLZ-QGZVFWFLSA-N 1 2 358.467 2.075 20 30 FEEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCS[C@@H]3COCC[C@@H]32)cc1Cl ZINC000135519989 544350322 /nfs/dbraw/zinc/35/03/22/544350322.db2.gz GWRHFVQLEANABO-LSDHHAIUSA-N 1 2 351.859 2.356 20 30 FEEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCS[C@@H]3COCC[C@@H]32)cc1Cl ZINC000135519989 544350324 /nfs/dbraw/zinc/35/03/24/544350324.db2.gz GWRHFVQLEANABO-LSDHHAIUSA-N 1 2 351.859 2.356 20 30 FEEDLO C=CCNc1ncc(C(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)s1 ZINC000136104723 544366634 /nfs/dbraw/zinc/36/66/34/544366634.db2.gz AUGQBJFCFOFBSP-STQMWFEESA-N 1 2 352.504 2.359 20 30 FEEDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(c2ccc(C(F)(F)F)c(C#N)c2)CC1 ZINC000136904806 544380899 /nfs/dbraw/zinc/38/08/99/544380899.db2.gz SQVOXXPJLRRCKG-LBPRGKRZSA-N 1 2 366.387 2.366 20 30 FEEDLO CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000151660680 544566918 /nfs/dbraw/zinc/56/69/18/544566918.db2.gz QFLTZQMSKTYVPL-UHFFFAOYSA-N 1 2 350.422 2.459 20 30 FEEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN(Cc2csc(CC)n2)CC1 ZINC000154467501 544909694 /nfs/dbraw/zinc/90/96/94/544909694.db2.gz YJDFPCBQVIKBHB-INIZCTEOSA-N 1 2 362.543 2.412 20 30 FEEDLO CC(C)[NH+]1CCN(S(=O)(=O)c2cc(Br)cc(C#N)c2)CC1 ZINC000155115785 544991467 /nfs/dbraw/zinc/99/14/67/544991467.db2.gz UVKUCFUNSNSORT-UHFFFAOYSA-N 1 2 372.288 2.035 20 30 FEEDLO CO[C@H]1C[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC[C@H]1C ZINC000189345391 328142053 /nfs/dbraw/zinc/14/20/53/328142053.db2.gz HVLQNFJGTHEFCP-PBHICJAKSA-N 1 2 353.426 2.039 20 30 FEEDLO CO[C@H]1C[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC[C@H]1C ZINC000189345391 328142054 /nfs/dbraw/zinc/14/20/54/328142054.db2.gz HVLQNFJGTHEFCP-PBHICJAKSA-N 1 2 353.426 2.039 20 30 FEEDLO C[C@@H](C(=O)Nc1cccc(F)c1)N1CC[NH+](Cc2cc(C#N)n(C)c2)CC1 ZINC000191249680 328256489 /nfs/dbraw/zinc/25/64/89/328256489.db2.gz KIEHFRJTZWRFBD-HNNXBMFYSA-N 1 2 369.444 2.181 20 30 FEEDLO N#Cc1cccc(NC(=O)CC[N@@H+]2CCn3c(nnc3C(F)(F)F)C2)c1 ZINC000077897633 325024374 /nfs/dbraw/zinc/02/43/74/325024374.db2.gz FUCNEZMSHLDSNK-UHFFFAOYSA-N 1 2 364.331 2.013 20 30 FEEDLO N#Cc1cccc(NC(=O)CC[N@H+]2CCn3c(nnc3C(F)(F)F)C2)c1 ZINC000077897633 325024375 /nfs/dbraw/zinc/02/43/75/325024375.db2.gz FUCNEZMSHLDSNK-UHFFFAOYSA-N 1 2 364.331 2.013 20 30 FEEDLO CN(C)c1[nH+]cccc1N(C)S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000080279839 325126653 /nfs/dbraw/zinc/12/66/53/325126653.db2.gz WHJGPAGQOIETAE-UHFFFAOYSA-N 1 2 350.831 2.498 20 30 FEEDLO Cc1ccc(C#N)cc1NC(=O)N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC000088376743 325293131 /nfs/dbraw/zinc/29/31/31/325293131.db2.gz JPSJTQIUYDCOSR-MRXNPFEDSA-N 1 2 369.469 2.027 20 30 FEEDLO N#Cc1ccc([C@H]([NH2+][C@H]2CCCN(c3ccccc3F)C2=O)C(N)=O)cc1 ZINC000090069682 325353328 /nfs/dbraw/zinc/35/33/28/325353328.db2.gz GOTQUGZFMYNYIR-WMZOPIPTSA-N 1 2 366.396 2.009 20 30 FEEDLO N#Cc1ccsc1NC(=O)CCN1CC[NH+](Cc2cccnc2)CC1 ZINC000091077463 325373286 /nfs/dbraw/zinc/37/32/86/325373286.db2.gz XSLOJIXXNBLXEG-UHFFFAOYSA-N 1 2 355.467 2.161 20 30 FEEDLO CN(Cc1cccs1)C(=O)C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000101728815 325478464 /nfs/dbraw/zinc/47/84/64/325478464.db2.gz BUNFKJUZSGRCHS-UHFFFAOYSA-N 1 2 354.479 2.400 20 30 FEEDLO N#Cc1ccccc1N1CC[NH+](CCn2cnc3ccccc3c2=O)CC1 ZINC000114748989 325920855 /nfs/dbraw/zinc/92/08/55/325920855.db2.gz JZXOIYPCMMQNPL-UHFFFAOYSA-N 1 2 359.433 2.090 20 30 FEEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1nc2ccc(F)cc2o1 ZINC000119968829 326217367 /nfs/dbraw/zinc/21/73/67/326217367.db2.gz XJPZWBGBEPRQMM-GFCCVEGCSA-N 1 2 352.373 2.339 20 30 FEEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1nc2ccc(F)cc2o1 ZINC000119968829 326217369 /nfs/dbraw/zinc/21/73/69/326217369.db2.gz XJPZWBGBEPRQMM-GFCCVEGCSA-N 1 2 352.373 2.339 20 30 FEEDLO N#Cc1cc(F)c(S(=O)(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)c(F)c1 ZINC000121395122 326335720 /nfs/dbraw/zinc/33/57/20/326335720.db2.gz SHNGVZXIYPHJDW-CYBMUJFWSA-N 1 2 352.366 2.475 20 30 FEEDLO CCO[C@@H](C)c1noc(CN2CC[NH+](Cc3ccc(F)c(C#N)c3)CC2)n1 ZINC000121556396 326347874 /nfs/dbraw/zinc/34/78/74/326347874.db2.gz QHIKXRCHPMMPJN-AWEZNQCLSA-N 1 2 373.432 2.496 20 30 FEEDLO Cc1oc(NC(=O)C[NH2+][C@](C)(C(N)=O)c2cccc(Cl)c2)c(C#N)c1C ZINC000127246945 326502640 /nfs/dbraw/zinc/50/26/40/326502640.db2.gz SJZUCYRZNLFDOV-SFHVURJKSA-N 1 2 374.828 2.350 20 30 FEEDLO N#Cc1ccsc1C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000128172698 326519130 /nfs/dbraw/zinc/51/91/30/326519130.db2.gz WGMNMIBTKHLMOG-UHFFFAOYSA-N 1 2 361.389 2.347 20 30 FEEDLO Cc1cccc(NC(=O)C(=O)NCc2cc[nH+]c(N3CCCC3)c2)c1C#N ZINC000174614784 327338843 /nfs/dbraw/zinc/33/88/43/327338843.db2.gz FNBMUQZMEMTGIF-UHFFFAOYSA-N 1 2 363.421 2.117 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C[C@@H](O)c3cccc(F)c3)CC2)cc1 ZINC000271409041 329691508 /nfs/dbraw/zinc/69/15/08/329691508.db2.gz RKOLHXZJRYOTFL-HXUWFJFHSA-N 1 2 367.424 2.465 20 30 FEEDLO Cc1cccn2c(=O)cc(C[N@@H+]3CCO[C@@H](c4cccc(C#N)c4)C3)nc12 ZINC000367128707 330220188 /nfs/dbraw/zinc/22/01/88/330220188.db2.gz FWTLSBZTWRJMBH-LJQANCHMSA-N 1 2 360.417 2.448 20 30 FEEDLO Cc1cccn2c(=O)cc(C[N@H+]3CCO[C@@H](c4cccc(C#N)c4)C3)nc12 ZINC000367128707 330220190 /nfs/dbraw/zinc/22/01/90/330220190.db2.gz FWTLSBZTWRJMBH-LJQANCHMSA-N 1 2 360.417 2.448 20 30 FEEDLO C=CCN(CC=C)C(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000554684139 674330036 /nfs/dbraw/zinc/33/00/36/674330036.db2.gz VBLVDENJXWWKBF-DLBZAZTESA-N 1 2 361.873 2.402 20 30 FEEDLO C=CCN(CC=C)C(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000554684139 674330038 /nfs/dbraw/zinc/33/00/38/674330038.db2.gz VBLVDENJXWWKBF-DLBZAZTESA-N 1 2 361.873 2.402 20 30 FEEDLO COC(=O)c1cc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)c(C)s1 ZINC000155519987 545536769 /nfs/dbraw/zinc/53/67/69/545536769.db2.gz GTDAGGABFGPKIX-LBPRGKRZSA-N 1 2 371.466 2.216 20 30 FEEDLO COC(=O)c1cc(C[N@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)c(C)s1 ZINC000155519987 545536773 /nfs/dbraw/zinc/53/67/73/545536773.db2.gz GTDAGGABFGPKIX-LBPRGKRZSA-N 1 2 371.466 2.216 20 30 FEEDLO COc1cccc(OCC[NH+]2CCN(C(=O)c3ccc(C#N)cc3)CC2)c1 ZINC000156109261 545600387 /nfs/dbraw/zinc/60/03/87/545600387.db2.gz SJDJKHBSUNFDGA-UHFFFAOYSA-N 1 2 365.433 2.404 20 30 FEEDLO N#Cc1cc(Cl)ccc1S(=O)(=O)NCCc1cn2ccccc2[nH+]1 ZINC000156314826 545617046 /nfs/dbraw/zinc/61/70/46/545617046.db2.gz ATPBXZHEAXMHHZ-UHFFFAOYSA-N 1 2 360.826 2.380 20 30 FEEDLO C=CCn1c(=O)c2ccc(C(=O)N3CCC[C@H]([C@@H](C)[NH3+])C3)cc2[nH]c1=S ZINC000156370261 545622361 /nfs/dbraw/zinc/62/23/61/545622361.db2.gz ZNVXTJCTVPDUFP-OCCSQVGLSA-N 1 2 372.494 2.071 20 30 FEEDLO N#Cc1cc(F)ccc1S(=O)(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000156733856 545653709 /nfs/dbraw/zinc/65/37/09/545653709.db2.gz GNDNMKZKVLUKIS-UHFFFAOYSA-N 1 2 356.382 2.362 20 30 FEEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+](CCO)Cc1cccnc1 ZINC000157061794 545695000 /nfs/dbraw/zinc/69/50/00/545695000.db2.gz ODPNQKAQRQBLJH-QGZVFWFLSA-N 1 2 352.438 2.211 20 30 FEEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](CCO)Cc1cccnc1 ZINC000157061794 545695002 /nfs/dbraw/zinc/69/50/02/545695002.db2.gz ODPNQKAQRQBLJH-QGZVFWFLSA-N 1 2 352.438 2.211 20 30 FEEDLO N#Cc1cc(S(=O)(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)ccc1Cl ZINC000159306371 545941435 /nfs/dbraw/zinc/94/14/35/545941435.db2.gz MQXTUMSQOQNVNH-ZDUSSCGKSA-N 1 2 362.842 2.164 20 30 FEEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000171231138 546198892 /nfs/dbraw/zinc/19/88/92/546198892.db2.gz MSZSXZVMYGDEMO-LLVKDONJSA-N 1 2 354.357 2.002 20 30 FEEDLO N#CCSCCC[NH+]1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000173859151 546288579 /nfs/dbraw/zinc/28/85/79/546288579.db2.gz GVJROBVQKQIXDB-UHFFFAOYSA-N 1 2 373.931 2.293 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCc2c(cccc2N2CCOC2=O)C1 ZINC000174065463 546290728 /nfs/dbraw/zinc/29/07/28/546290728.db2.gz SZIJLOFSUULCTP-HXUWFJFHSA-N 1 2 370.453 2.056 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCc2c(cccc2N2CCOC2=O)C1 ZINC000174065463 546290732 /nfs/dbraw/zinc/29/07/32/546290732.db2.gz SZIJLOFSUULCTP-HXUWFJFHSA-N 1 2 370.453 2.056 20 30 FEEDLO N#C[C@H](c1ccccc1)N1CC[NH+](CC(=O)NCc2ccc(F)cc2)CC1 ZINC000174575863 546298894 /nfs/dbraw/zinc/29/88/94/546298894.db2.gz ILXBHVYJTDHADH-HXUWFJFHSA-N 1 2 366.440 2.324 20 30 FEEDLO Cc1nc2ccccc2nc1C[N@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000176374399 546437674 /nfs/dbraw/zinc/43/76/74/546437674.db2.gz DYNLNDVFPNJWMT-AWEZNQCLSA-N 1 2 359.437 2.311 20 30 FEEDLO Cc1nc2ccccc2nc1C[N@@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000176374399 546437678 /nfs/dbraw/zinc/43/76/78/546437678.db2.gz DYNLNDVFPNJWMT-AWEZNQCLSA-N 1 2 359.437 2.311 20 30 FEEDLO Cc1cc(NC(=O)CN2CC[NH+](CC#Cc3ccc(Cl)cc3)CC2)no1 ZINC000176997481 546520825 /nfs/dbraw/zinc/52/08/25/546520825.db2.gz AQSVFFARVMDQNB-UHFFFAOYSA-N 1 2 372.856 2.244 20 30 FEEDLO CCCNC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2sc(C)c(C)c2C#N)C1 ZINC000177270688 546583244 /nfs/dbraw/zinc/58/32/44/546583244.db2.gz WQUQGAWVTFFJCE-AWEZNQCLSA-N 1 2 362.499 2.413 20 30 FEEDLO CCCNC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2sc(C)c(C)c2C#N)C1 ZINC000177270688 546583250 /nfs/dbraw/zinc/58/32/50/546583250.db2.gz WQUQGAWVTFFJCE-AWEZNQCLSA-N 1 2 362.499 2.413 20 30 FEEDLO C=C(C)CN(CC)C(=O)C[NH2+][C@@](C)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000177387813 546607584 /nfs/dbraw/zinc/60/75/84/546607584.db2.gz WJSSKKNSQFMFFL-QGZVFWFLSA-N 1 2 371.403 2.420 20 30 FEEDLO C=CCCS(=O)(=O)NCc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000178299892 546771680 /nfs/dbraw/zinc/77/16/80/546771680.db2.gz PDMWZNJCWLGAOQ-HOTGVXAUSA-N 1 2 352.500 2.291 20 30 FEEDLO C#CCNC(=O)[C@@H](C)[N@H+](CC)CC(=O)Nc1c(Cl)cccc1Cl ZINC000179190712 546912182 /nfs/dbraw/zinc/91/21/82/546912182.db2.gz NUEGKXFVXXSOKF-LLVKDONJSA-N 1 2 356.253 2.392 20 30 FEEDLO C#CCNC(=O)[C@@H](C)[N@@H+](CC)CC(=O)Nc1c(Cl)cccc1Cl ZINC000179190712 546912185 /nfs/dbraw/zinc/91/21/85/546912185.db2.gz NUEGKXFVXXSOKF-LLVKDONJSA-N 1 2 356.253 2.392 20 30 FEEDLO COCOc1ccc(OC)cc1C[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000179988219 547036875 /nfs/dbraw/zinc/03/68/75/547036875.db2.gz KIUOWUYZMJOYPB-UHFFFAOYSA-N 1 2 368.437 2.267 20 30 FEEDLO C=CCOC[C@@H]([NH2+][C@H]1CCc2[nH]c3ccc(OC)cc3c2C1)C(=O)OC ZINC000482452120 561254262 /nfs/dbraw/zinc/25/42/62/561254262.db2.gz JZUZIGPEVPPIAT-ORAYPTAESA-N 1 2 358.438 2.368 20 30 FEEDLO C[C@@H]1OCC[C@H]1[N@H+](CCO)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000483279603 561272654 /nfs/dbraw/zinc/27/26/54/561272654.db2.gz RKFSDRBKEZWZDV-MAUKXSAKSA-N 1 2 355.438 2.209 20 30 FEEDLO C[C@@H]1OCC[C@H]1[N@@H+](CCO)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000483279603 561272655 /nfs/dbraw/zinc/27/26/55/561272655.db2.gz RKFSDRBKEZWZDV-MAUKXSAKSA-N 1 2 355.438 2.209 20 30 FEEDLO C=CC[N@@H+](C[C@H](O)COc1cc(C)ccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000182521067 547507749 /nfs/dbraw/zinc/50/77/49/547507749.db2.gz RKZAHFQRJJWDOI-CABCVRRESA-N 1 2 373.902 2.063 20 30 FEEDLO C=CC[N@H+](C[C@H](O)COc1cc(C)ccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000182521067 547507750 /nfs/dbraw/zinc/50/77/50/547507750.db2.gz RKZAHFQRJJWDOI-CABCVRRESA-N 1 2 373.902 2.063 20 30 FEEDLO CCOc1ccc(C#N)cc1NC(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000183966390 547746043 /nfs/dbraw/zinc/74/60/43/547746043.db2.gz GSCCCEYRZGFBIZ-UHFFFAOYSA-N 1 2 366.425 2.410 20 30 FEEDLO COc1cccc(-c2noc([C@@H](C)[NH2+]CC(=O)N[C@@](C)(C#N)C3CC3)n2)c1 ZINC000185120188 547936185 /nfs/dbraw/zinc/93/61/85/547936185.db2.gz SAHFOXMVONZXKG-BLVKFPJESA-N 1 2 369.425 2.204 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C[C@H](O)Cc3ccccc3)CC2)cc1 ZINC000485584084 561323232 /nfs/dbraw/zinc/32/32/32/561323232.db2.gz WYBUYDZDKSQOSA-OAQYLSRUSA-N 1 2 363.461 2.196 20 30 FEEDLO COc1cc(C#N)ccc1OCC(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186496412 548143643 /nfs/dbraw/zinc/14/36/43/548143643.db2.gz JUJMAEQEBDXWRV-UHFFFAOYSA-N 1 2 366.421 2.080 20 30 FEEDLO N#Cc1ccc(OCCNC(=O)N2CCCN(c3cccc[nH+]3)CC2)cc1 ZINC000186518094 548146434 /nfs/dbraw/zinc/14/64/34/548146434.db2.gz BXMJFVMENGMPCO-UHFFFAOYSA-N 1 2 365.437 2.254 20 30 FEEDLO C[C@@H]1C(=O)N(C)CC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000187019360 548241675 /nfs/dbraw/zinc/24/16/75/548241675.db2.gz ODFVWUWCVIUDGZ-CYBMUJFWSA-N 1 2 374.510 2.380 20 30 FEEDLO C[C@@H]1C(=O)N(C)CC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000187019360 548241680 /nfs/dbraw/zinc/24/16/80/548241680.db2.gz ODFVWUWCVIUDGZ-CYBMUJFWSA-N 1 2 374.510 2.380 20 30 FEEDLO Cc1oc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2nnc3ccccn32)c(C#N)c1C ZINC000193323663 548385223 /nfs/dbraw/zinc/38/52/23/548385223.db2.gz DIWMVBFNUZGTOH-NWDGAFQWSA-N 1 2 352.398 2.489 20 30 FEEDLO C=CCOc1ccc(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)cc1 ZINC000487195204 561365927 /nfs/dbraw/zinc/36/59/27/561365927.db2.gz HDEJLHLPCHIGIL-UHFFFAOYSA-N 1 2 356.426 2.032 20 30 FEEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000245434398 548918817 /nfs/dbraw/zinc/91/88/17/548918817.db2.gz PTXCJEKNORBWMW-LRDDRELGSA-N 1 2 373.350 2.460 20 30 FEEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000245434398 548918818 /nfs/dbraw/zinc/91/88/18/548918818.db2.gz PTXCJEKNORBWMW-LRDDRELGSA-N 1 2 373.350 2.460 20 30 FEEDLO C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)[N@@H+]1CC(=O)N(CCC#N)CCC#N ZINC000246047292 549041228 /nfs/dbraw/zinc/04/12/28/549041228.db2.gz BWVGBXNKEBBOOB-HLIPFELVSA-N 1 2 354.454 2.493 20 30 FEEDLO C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)[N@H+]1CC(=O)N(CCC#N)CCC#N ZINC000246047292 549041232 /nfs/dbraw/zinc/04/12/32/549041232.db2.gz BWVGBXNKEBBOOB-HLIPFELVSA-N 1 2 354.454 2.493 20 30 FEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000246305957 549100958 /nfs/dbraw/zinc/10/09/58/549100958.db2.gz CCZFNEGLNBCYMP-MSOLQXFVSA-N 1 2 355.438 2.011 20 30 FEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000246305957 549100959 /nfs/dbraw/zinc/10/09/59/549100959.db2.gz CCZFNEGLNBCYMP-MSOLQXFVSA-N 1 2 355.438 2.011 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)NCc2cccc(Cn3cc[nH+]c3)c2)cc1F ZINC000489117325 561403744 /nfs/dbraw/zinc/40/37/44/561403744.db2.gz KRPWBVHOXOGUBJ-UHFFFAOYSA-N 1 2 370.409 2.421 20 30 FEEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC000247989369 549398418 /nfs/dbraw/zinc/39/84/18/549398418.db2.gz JVPWSJYIXWSYDB-UHFFFAOYSA-N 1 2 359.445 2.174 20 30 FEEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC000247989369 549398420 /nfs/dbraw/zinc/39/84/20/549398420.db2.gz JVPWSJYIXWSYDB-UHFFFAOYSA-N 1 2 359.445 2.174 20 30 FEEDLO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCO[C@@H](c3cccc(O)c3)C2)cc1 ZINC000248030175 549401378 /nfs/dbraw/zinc/40/13/78/549401378.db2.gz QDNBWLAMDHSURB-UYAOXDASSA-N 1 2 354.406 2.077 20 30 FEEDLO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCO[C@@H](c3cccc(O)c3)C2)cc1 ZINC000248030175 549401382 /nfs/dbraw/zinc/40/13/82/549401382.db2.gz QDNBWLAMDHSURB-UYAOXDASSA-N 1 2 354.406 2.077 20 30 FEEDLO C[N@@H+]1CC[C@@H](NS(=O)(=O)CC2(C#N)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000248656698 549478804 /nfs/dbraw/zinc/47/88/04/549478804.db2.gz WVJDNWVXMRLPOY-HUUCEWRRSA-N 1 2 353.875 2.308 20 30 FEEDLO C[N@H+]1CC[C@@H](NS(=O)(=O)CC2(C#N)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000248656698 549478808 /nfs/dbraw/zinc/47/88/08/549478808.db2.gz WVJDNWVXMRLPOY-HUUCEWRRSA-N 1 2 353.875 2.308 20 30 FEEDLO CC(=O)NC[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000249809145 549629951 /nfs/dbraw/zinc/62/99/51/549629951.db2.gz HIBSORSWAXKPCN-OCCSQVGLSA-N 1 2 374.510 2.284 20 30 FEEDLO CC(=O)NC[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000249809145 549629956 /nfs/dbraw/zinc/62/99/56/549629956.db2.gz HIBSORSWAXKPCN-OCCSQVGLSA-N 1 2 374.510 2.284 20 30 FEEDLO C[NH+](C)CCS(=O)(=O)c1ccccc1C(=O)NCC(C)(C)CCC#N ZINC000489850057 561420469 /nfs/dbraw/zinc/42/04/69/561420469.db2.gz TZMXYNZDTXCNFL-UHFFFAOYSA-N 1 2 365.499 2.082 20 30 FEEDLO COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000250348349 549641319 /nfs/dbraw/zinc/64/13/19/549641319.db2.gz RPPZRSBJYILLDS-ZACQAIPSSA-N 1 2 361.486 2.477 20 30 FEEDLO COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000250348349 549641323 /nfs/dbraw/zinc/64/13/23/549641323.db2.gz RPPZRSBJYILLDS-ZACQAIPSSA-N 1 2 361.486 2.477 20 30 FEEDLO C=CC[C@@H](C(=O)N[C@H]1CCCN(Cc2[nH+]ccn2C)C1=O)c1ccccc1 ZINC000490270986 561430100 /nfs/dbraw/zinc/43/01/00/561430100.db2.gz MLIZUJHFPKOXHA-MSOLQXFVSA-N 1 2 366.465 2.387 20 30 FEEDLO C[C@H](CNC(=O)CCC(=O)N(CCC#N)c1ccccc1)Cn1cc[nH+]c1 ZINC000265797276 550014017 /nfs/dbraw/zinc/01/40/17/550014017.db2.gz JTNXDGJTUSOIFS-QGZVFWFLSA-N 1 2 367.453 2.362 20 30 FEEDLO CCN(CC)C(=O)C[N@H+](C)[C@@H](C)C(=O)N(CCC#N)c1ccc(C)cc1 ZINC000266686887 550023104 /nfs/dbraw/zinc/02/31/04/550023104.db2.gz UKMCSVPZJPDLFW-KRWDZBQOSA-N 1 2 358.486 2.430 20 30 FEEDLO CCN(CC)C(=O)C[N@@H+](C)[C@@H](C)C(=O)N(CCC#N)c1ccc(C)cc1 ZINC000266686887 550023108 /nfs/dbraw/zinc/02/31/08/550023108.db2.gz UKMCSVPZJPDLFW-KRWDZBQOSA-N 1 2 358.486 2.430 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)CCc1ccc2ccccc2n1 ZINC000267717361 550034016 /nfs/dbraw/zinc/03/40/16/550034016.db2.gz AMFBGYISJBLMDE-UHFFFAOYSA-N 1 2 366.465 2.242 20 30 FEEDLO C=CCNC(=O)[C@@H](C)[N@H+](CCC)CC(=O)Nc1ccc(F)c(F)c1F ZINC000268250337 550039883 /nfs/dbraw/zinc/03/98/83/550039883.db2.gz ORARPXGWWORULO-LLVKDONJSA-N 1 2 357.376 2.445 20 30 FEEDLO C=CCNC(=O)[C@@H](C)[N@@H+](CCC)CC(=O)Nc1ccc(F)c(F)c1F ZINC000268250337 550039886 /nfs/dbraw/zinc/03/98/86/550039886.db2.gz ORARPXGWWORULO-LLVKDONJSA-N 1 2 357.376 2.445 20 30 FEEDLO N#Cc1ccnc(Nc2ccc([NH+]3CCC(C(N)=O)CC3)cc2)c1[N+](=O)[O-] ZINC000268445149 550066937 /nfs/dbraw/zinc/06/69/37/550066937.db2.gz DQVOWUDJDHKWIV-UHFFFAOYSA-N 1 2 366.381 2.307 20 30 FEEDLO C=CCC[C@H](NC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1)c1ccccc1 ZINC000269421942 550193932 /nfs/dbraw/zinc/19/39/32/550193932.db2.gz DLZWYDCVKDWXQD-KRWDZBQOSA-N 1 2 358.486 2.285 20 30 FEEDLO C[C@H](C(=O)c1c[nH]c2ncccc12)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000271315405 550364168 /nfs/dbraw/zinc/36/41/68/550364168.db2.gz SAIVOGWHDYXJGJ-CQSZACIVSA-N 1 2 360.421 2.223 20 30 FEEDLO CC1(C#N)CCN(C(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)CC1 ZINC000272395534 550443377 /nfs/dbraw/zinc/44/33/77/550443377.db2.gz JDSQSSANGBUWCP-GOSISDBHSA-N 1 2 356.470 2.395 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@H]3CCO[C@@H](C4CC4)C3)CC2)cc1 ZINC000274237177 550529294 /nfs/dbraw/zinc/52/92/94/550529294.db2.gz ZNJWEHUGCUUJQI-VQTJNVASSA-N 1 2 368.481 2.343 20 30 FEEDLO C=C(C)CS(=O)(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000276649032 550581482 /nfs/dbraw/zinc/58/14/82/550581482.db2.gz YRRHVILMYVEYHT-UHFFFAOYSA-N 1 2 372.288 2.443 20 30 FEEDLO C[C@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)CC[S@@]1=O ZINC000277268415 550649867 /nfs/dbraw/zinc/64/98/67/550649867.db2.gz RLIKYUFNAZOMDZ-MCFWBGNESA-N 1 2 365.524 2.280 20 30 FEEDLO C[C@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)CC[S@@]1=O ZINC000277268415 550649868 /nfs/dbraw/zinc/64/98/68/550649868.db2.gz RLIKYUFNAZOMDZ-MCFWBGNESA-N 1 2 365.524 2.280 20 30 FEEDLO CCOC(=O)c1n[nH]c(C2CC[NH+](CC#Cc3ccc(F)cc3)CC2)n1 ZINC000277780397 550713230 /nfs/dbraw/zinc/71/32/30/550713230.db2.gz NSGNFJXTVWULHA-UHFFFAOYSA-N 1 2 356.401 2.352 20 30 FEEDLO N#Cc1cc(C(=O)NCc2ccccc2C[NH+]2CCOCC2)ccc1F ZINC000278567378 550799951 /nfs/dbraw/zinc/79/99/51/550799951.db2.gz ILDQOKQVQHOTLE-UHFFFAOYSA-N 1 2 353.397 2.460 20 30 FEEDLO COCCn1cc(C[NH+]2CCN(c3ccc(C#N)cc3Cl)CC2)cn1 ZINC000278700949 550812627 /nfs/dbraw/zinc/81/26/27/550812627.db2.gz NQHRFCVZOKXEOE-UHFFFAOYSA-N 1 2 359.861 2.377 20 30 FEEDLO C[C@H]([NH2+]CC(=O)N(CCC#N)CCC#N)c1nc(C(F)(F)F)cs1 ZINC000278894901 550833548 /nfs/dbraw/zinc/83/35/48/550833548.db2.gz JDFXJPDAZVFHGG-JTQLQIEISA-N 1 2 359.377 2.468 20 30 FEEDLO C[C@@H]1OCC[C@@]12C[N@H+](Cc1nnc(-c3ccc(C#N)cc3)o1)C[C@@H](C)O2 ZINC000279746906 550924489 /nfs/dbraw/zinc/92/44/89/550924489.db2.gz LBEJVFXJIPSACW-BIENJYKASA-N 1 2 354.410 2.377 20 30 FEEDLO C[C@@H]1OCC[C@@]12C[N@@H+](Cc1nnc(-c3ccc(C#N)cc3)o1)C[C@@H](C)O2 ZINC000279746906 550924491 /nfs/dbraw/zinc/92/44/91/550924491.db2.gz LBEJVFXJIPSACW-BIENJYKASA-N 1 2 354.410 2.377 20 30 FEEDLO C#CCn1ccc(C[N@@H+](CC)[C@@H](C)C(=O)NCCc2ccc(F)cc2)n1 ZINC000279773406 550927707 /nfs/dbraw/zinc/92/77/07/550927707.db2.gz TVDAMQHIEYEOFF-INIZCTEOSA-N 1 2 356.445 2.225 20 30 FEEDLO C#CCn1ccc(C[N@H+](CC)[C@@H](C)C(=O)NCCc2ccc(F)cc2)n1 ZINC000279773406 550927709 /nfs/dbraw/zinc/92/77/09/550927709.db2.gz TVDAMQHIEYEOFF-INIZCTEOSA-N 1 2 356.445 2.225 20 30 FEEDLO CC[C@@H]1C[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CCCO1 ZINC000281433130 551096846 /nfs/dbraw/zinc/09/68/46/551096846.db2.gz PLNLWZUJFGUGST-QGZVFWFLSA-N 1 2 353.426 2.183 20 30 FEEDLO CC[C@@H]1C[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CCCO1 ZINC000281433130 551096848 /nfs/dbraw/zinc/09/68/48/551096848.db2.gz PLNLWZUJFGUGST-QGZVFWFLSA-N 1 2 353.426 2.183 20 30 FEEDLO C=CCN1CC[C@@H]([N@H+](CC(=O)NC)Cc2cccc(C(F)(F)F)c2)C1=O ZINC000282124094 551183740 /nfs/dbraw/zinc/18/37/40/551183740.db2.gz YABBMWTZYFKSPL-OAHLLOKOSA-N 1 2 369.387 2.040 20 30 FEEDLO C=CCN1CC[C@@H]([N@@H+](CC(=O)NC)Cc2cccc(C(F)(F)F)c2)C1=O ZINC000282124094 551183741 /nfs/dbraw/zinc/18/37/41/551183741.db2.gz YABBMWTZYFKSPL-OAHLLOKOSA-N 1 2 369.387 2.040 20 30 FEEDLO C=CCn1c(Cc2ccccn2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000282608703 551251624 /nfs/dbraw/zinc/25/16/24/551251624.db2.gz NGSWYTQQIZUDCY-UHFFFAOYSA-N 1 2 361.453 2.172 20 30 FEEDLO C=C(C)Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000283396139 551359287 /nfs/dbraw/zinc/35/92/87/551359287.db2.gz WGKKQOHNOJSLJD-UHFFFAOYSA-N 1 2 364.457 2.274 20 30 FEEDLO C=CCC[C@@H](O)CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1[nH+]ccn1C ZINC000284344737 551528755 /nfs/dbraw/zinc/52/87/55/551528755.db2.gz CLCJXQVSODHQML-HZPDHXFCSA-N 1 2 364.490 2.341 20 30 FEEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cnc(C(C)(C)C)nc1 ZINC000284385335 551538281 /nfs/dbraw/zinc/53/82/81/551538281.db2.gz OSVSBWWVSVXUSP-CQSZACIVSA-N 1 2 351.458 2.146 20 30 FEEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cnc(C(C)(C)C)nc1 ZINC000284385335 551538285 /nfs/dbraw/zinc/53/82/85/551538285.db2.gz OSVSBWWVSVXUSP-CQSZACIVSA-N 1 2 351.458 2.146 20 30 FEEDLO CC(C)S(=O)(=O)CC[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000285506887 551766903 /nfs/dbraw/zinc/76/69/03/551766903.db2.gz NSRWFPMOQBBIAI-UHFFFAOYSA-N 1 2 354.447 2.364 20 30 FEEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000285706690 551798549 /nfs/dbraw/zinc/79/85/49/551798549.db2.gz OQLBRVVBQABYEM-GOEBONIOSA-N 1 2 359.474 2.442 20 30 FEEDLO C=CCOc1ccc(C(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)cc1OC ZINC000286001235 551837007 /nfs/dbraw/zinc/83/70/07/551837007.db2.gz YJXXSGUUDDXHMB-NVXWUHKLSA-N 1 2 360.454 2.195 20 30 FEEDLO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(C#N)o1)c1ccccc1Cl ZINC000286450023 551886639 /nfs/dbraw/zinc/88/66/39/551886639.db2.gz ILFHSAGQRWWWPD-CQSZACIVSA-N 1 2 353.831 2.386 20 30 FEEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCC[C@@](F)(CO)C1 ZINC000286737327 551920440 /nfs/dbraw/zinc/92/04/40/551920440.db2.gz DIQSEFMIQHKGQG-KSSFIOAISA-N 1 2 351.397 2.257 20 30 FEEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCC[C@@](F)(CO)C1 ZINC000286737327 551920442 /nfs/dbraw/zinc/92/04/42/551920442.db2.gz DIQSEFMIQHKGQG-KSSFIOAISA-N 1 2 351.397 2.257 20 30 FEEDLO C=CCNC(=O)c1ccc(NC(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)cc1 ZINC000287386043 551997398 /nfs/dbraw/zinc/99/73/98/551997398.db2.gz CMUBTPIEBMKEPN-SFHVURJKSA-N 1 2 357.454 2.042 20 30 FEEDLO C=CCNC(=O)c1ccc(NC(=O)[C@@H]2COCC[N@H+]2CC2CCC2)cc1 ZINC000287386043 551997399 /nfs/dbraw/zinc/99/73/99/551997399.db2.gz CMUBTPIEBMKEPN-SFHVURJKSA-N 1 2 357.454 2.042 20 30 FEEDLO C[C@H]1CC[N@H+](C[C@H](O)c2ccc(C#N)cc2)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000287441835 552004609 /nfs/dbraw/zinc/00/46/09/552004609.db2.gz QEGSRGDZLANDAB-APYUEPQZSA-N 1 2 369.387 2.369 20 30 FEEDLO C[C@H]1CC[N@@H+](C[C@H](O)c2ccc(C#N)cc2)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000287441835 552004611 /nfs/dbraw/zinc/00/46/11/552004611.db2.gz QEGSRGDZLANDAB-APYUEPQZSA-N 1 2 369.387 2.369 20 30 FEEDLO C=CCc1cc(C(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)cc(OC)c1OC ZINC000499739278 561557372 /nfs/dbraw/zinc/55/73/72/561557372.db2.gz IEQDHJAHKYWTRO-UHFFFAOYSA-N 1 2 370.453 2.113 20 30 FEEDLO C=C(C)CN(CC)C(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000289051329 552258358 /nfs/dbraw/zinc/25/83/58/552258358.db2.gz BZYVBDKCLNYJGW-DLBZAZTESA-N 1 2 365.424 2.251 20 30 FEEDLO C=C(C)CN(CC)C(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000289051329 552258361 /nfs/dbraw/zinc/25/83/61/552258361.db2.gz BZYVBDKCLNYJGW-DLBZAZTESA-N 1 2 365.424 2.251 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[NH+]2CCC(c3ccc(O)cc3)CC2)nc1 ZINC000289326337 552301853 /nfs/dbraw/zinc/30/18/53/552301853.db2.gz VECLFPQKUHNZQM-UHFFFAOYSA-N 1 2 371.462 2.312 20 30 FEEDLO CCC(=O)N[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000500457499 561573636 /nfs/dbraw/zinc/57/36/36/561573636.db2.gz ODZDKJRVRVYNSY-NVXWUHKLSA-N 1 2 374.460 2.451 20 30 FEEDLO CCC(=O)N[C@@H]1CCC[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000500457499 561573637 /nfs/dbraw/zinc/57/36/37/561573637.db2.gz ODZDKJRVRVYNSY-NVXWUHKLSA-N 1 2 374.460 2.451 20 30 FEEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCn2c[nH+]cc2C1 ZINC000290407170 552474560 /nfs/dbraw/zinc/47/45/60/552474560.db2.gz UBHUMOSSZVPVKT-CYBMUJFWSA-N 1 2 369.450 2.258 20 30 FEEDLO C[C@H](c1cccc(NS(=O)(=O)c2cncc(C#N)c2)c1)[NH+]1CCOCC1 ZINC000290975500 552571152 /nfs/dbraw/zinc/57/11/52/552571152.db2.gz QPGVNMQMAHYQFY-CQSZACIVSA-N 1 2 372.450 2.147 20 30 FEEDLO CO[C@@](C)(CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CC1 ZINC000291524536 552633936 /nfs/dbraw/zinc/63/39/36/552633936.db2.gz PIEXUAGZNBTEBW-FQEVSTJZSA-N 1 2 356.470 2.201 20 30 FEEDLO CS(=O)(=O)C[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000292124214 552696415 /nfs/dbraw/zinc/69/64/15/552696415.db2.gz GUGCKIKOMOOULO-GFCCVEGCSA-N 1 2 357.273 2.187 20 30 FEEDLO CS(=O)(=O)C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000292124214 552696416 /nfs/dbraw/zinc/69/64/16/552696416.db2.gz GUGCKIKOMOOULO-GFCCVEGCSA-N 1 2 357.273 2.187 20 30 FEEDLO Cc1ccsc1CNC(=O)C[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292185932 552702425 /nfs/dbraw/zinc/70/24/25/552702425.db2.gz MUZBZYLWHPTXSB-OAHLLOKOSA-N 1 2 356.451 2.093 20 30 FEEDLO Cc1ccsc1CNC(=O)C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292185932 552702426 /nfs/dbraw/zinc/70/24/26/552702426.db2.gz MUZBZYLWHPTXSB-OAHLLOKOSA-N 1 2 356.451 2.093 20 30 FEEDLO CC[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(C#N)c(O)c2)[C@@H]1c1ccccc1 ZINC000501590199 561601375 /nfs/dbraw/zinc/60/13/75/561601375.db2.gz PKDYAFBPCIEZEW-PMACEKPBSA-N 1 2 365.433 2.456 20 30 FEEDLO CC[N@H+]1CCO[C@@H](CNC(=O)c2ccc(C#N)c(O)c2)[C@@H]1c1ccccc1 ZINC000501590199 561601376 /nfs/dbraw/zinc/60/13/76/561601376.db2.gz PKDYAFBPCIEZEW-PMACEKPBSA-N 1 2 365.433 2.456 20 30 FEEDLO CCOC(=O)[C@@H](F)C1C[NH+](Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000293863923 552863517 /nfs/dbraw/zinc/86/35/17/552863517.db2.gz IMQVQQZTJCIXIV-KRWDZBQOSA-N 1 2 371.416 2.192 20 30 FEEDLO COc1nccnc1C[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000294793951 552934551 /nfs/dbraw/zinc/93/45/51/552934551.db2.gz KYJCZUJYZKBGJT-UHFFFAOYSA-N 1 2 360.421 2.227 20 30 FEEDLO CCn1nc(C)c(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)n1 ZINC000294917600 552944212 /nfs/dbraw/zinc/94/42/12/552944212.db2.gz SXHKVSBLXXFXLN-UHFFFAOYSA-N 1 2 352.442 2.329 20 30 FEEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000295333173 552988965 /nfs/dbraw/zinc/98/89/65/552988965.db2.gz MOSSIPHUIXWGNY-NSHDSACASA-N 1 2 363.215 2.377 20 30 FEEDLO N#Cc1cc(Br)ccc1C[N@H+]1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000295333173 552988966 /nfs/dbraw/zinc/98/89/66/552988966.db2.gz MOSSIPHUIXWGNY-NSHDSACASA-N 1 2 363.215 2.377 20 30 FEEDLO C[C@H]1CCN(S(=O)(=O)Cc2ccc(F)cc2C#N)C[C@H]1n1cc[nH+]c1 ZINC000296377271 553150356 /nfs/dbraw/zinc/15/03/56/553150356.db2.gz RUNYYQIMRUTTMA-SUMWQHHRSA-N 1 2 362.430 2.307 20 30 FEEDLO N#Cc1ccc(NCC(=O)N2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)nc1 ZINC000600678614 553298637 /nfs/dbraw/zinc/29/86/37/553298637.db2.gz MSEINBQBPZWRLD-UHFFFAOYSA-N 1 2 374.448 2.191 20 30 FEEDLO C=C(C)CN(Cc1ccccc1)C(=O)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000297598212 553313776 /nfs/dbraw/zinc/31/37/76/553313776.db2.gz CUXPRSDGEWCMFH-UHFFFAOYSA-N 1 2 354.454 2.337 20 30 FEEDLO Cc1ccc([C@H]2CCCCN2C(=O)C(=O)N2CCC(C#N)([NH+](C)C)CC2)o1 ZINC000297615267 553316066 /nfs/dbraw/zinc/31/60/66/553316066.db2.gz DSFUHFURAHBMNW-MRXNPFEDSA-N 1 2 372.469 2.088 20 30 FEEDLO CC(=O)c1ccc(C#N)cc1NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000302069859 553702057 /nfs/dbraw/zinc/70/20/57/553702057.db2.gz XVTBMYXVKGYITE-UHFFFAOYSA-N 1 2 364.453 2.175 20 30 FEEDLO Cc1ccc(C#N)cc1S(=O)(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000304963302 553748160 /nfs/dbraw/zinc/74/81/60/553748160.db2.gz FJTOIFFXSORJJS-UHFFFAOYSA-N 1 2 355.463 2.373 20 30 FEEDLO Cc1ncsc1C[N@H+]1C[C@@H](F)C[C@H]1CN(C)C(=O)c1ccc(C#N)cn1 ZINC000328605593 553795134 /nfs/dbraw/zinc/79/51/34/553795134.db2.gz OCJIOVAIZWAYCU-GJZGRUSLSA-N 1 2 373.457 2.403 20 30 FEEDLO Cc1ncsc1C[N@@H+]1C[C@@H](F)C[C@H]1CN(C)C(=O)c1ccc(C#N)cn1 ZINC000328605593 553795136 /nfs/dbraw/zinc/79/51/36/553795136.db2.gz OCJIOVAIZWAYCU-GJZGRUSLSA-N 1 2 373.457 2.403 20 30 FEEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N[C@H]1CCCN(c3ncccn3)C1)CCC2 ZINC000328646262 553801903 /nfs/dbraw/zinc/80/19/03/553801903.db2.gz GSPWJYSSORLHTO-HOTGVXAUSA-N 1 2 369.473 2.032 20 30 FEEDLO C[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCCNC2=O)[C@@H]1c1ccc(F)c(F)c1 ZINC000328936568 553848361 /nfs/dbraw/zinc/84/83/61/553848361.db2.gz FYUDJZSMPYQGPG-ZNMIVQPWSA-N 1 2 352.385 2.333 20 30 FEEDLO C[N@H+]1CC[C@H](NC(=O)N[C@@H]2CCCNC2=O)[C@@H]1c1ccc(F)c(F)c1 ZINC000328936568 553848363 /nfs/dbraw/zinc/84/83/63/553848363.db2.gz FYUDJZSMPYQGPG-ZNMIVQPWSA-N 1 2 352.385 2.333 20 30 FEEDLO CCc1cc(N2CCC[C@H](NC(=O)[C@H]3CCn4c[nH+]cc4C3)C2)ncn1 ZINC000328961877 553853528 /nfs/dbraw/zinc/85/35/28/553853528.db2.gz QILAMBIPDXECLW-HOCLYGCPSA-N 1 2 354.458 2.423 20 30 FEEDLO Cc1csc(NC(=O)C[NH2+][C@@H](c2nc(C)no2)C2CCOCC2)n1 ZINC000328986810 553859045 /nfs/dbraw/zinc/85/90/45/553859045.db2.gz UHGHNVGEXDLEGQ-CYBMUJFWSA-N 1 2 351.432 2.488 20 30 FEEDLO CCn1cnc2c1ncnc2N1CC[NH+]([C@H](C)C(=O)NC2CCCC2)CC1 ZINC000329029609 553867845 /nfs/dbraw/zinc/86/78/45/553867845.db2.gz WRDAUIQNBCHZEK-CQSZACIVSA-N 1 2 371.489 2.256 20 30 FEEDLO CO[C@@H]1CCC[C@@H]1[C@@H]1COCCN1C(=O)NC[C@H]1CCCn2cc[nH+]c21 ZINC000329084675 553877379 /nfs/dbraw/zinc/87/73/79/553877379.db2.gz TXGGXCBKWKUFQA-WCXIOVBPSA-N 1 2 362.474 2.190 20 30 FEEDLO CCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000329098828 553879877 /nfs/dbraw/zinc/87/98/77/553879877.db2.gz YXOBTCGCYYNTJB-PMPSAXMXSA-N 1 2 372.473 2.319 20 30 FEEDLO CCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000329098827 553879949 /nfs/dbraw/zinc/87/99/49/553879949.db2.gz YXOBTCGCYYNTJB-JYJNAYRXSA-N 1 2 372.473 2.319 20 30 FEEDLO C=CCNC(=O)CN1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000506297603 561695084 /nfs/dbraw/zinc/69/50/84/561695084.db2.gz LRXXOWUQGUYQTA-UHFFFAOYSA-N 1 2 357.376 2.005 20 30 FEEDLO C=CCNC(=O)C[NH+]1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000506297603 561695085 /nfs/dbraw/zinc/69/50/85/561695085.db2.gz LRXXOWUQGUYQTA-UHFFFAOYSA-N 1 2 357.376 2.005 20 30 FEEDLO NC(=O)C1CCN(c2[nH+]cccc2CNC(=O)N[C@H]2CCCOC2)CC1 ZINC000329185763 553897898 /nfs/dbraw/zinc/89/78/98/553897898.db2.gz QHSFQBGQSCYNTJ-HNNXBMFYSA-N 1 2 361.446 2.016 20 30 FEEDLO Cc1cc(C)n(-c2ccc(NC(=O)NC[C@H]3CN(C)CC[N@@H+]3C)cc2F)n1 ZINC000329239283 553908801 /nfs/dbraw/zinc/90/88/01/553908801.db2.gz QFHUUJKZSCMDRN-INIZCTEOSA-N 1 2 374.464 2.200 20 30 FEEDLO Cc1cc(C)n(-c2ccc(NC(=O)NC[C@H]3CN(C)CC[N@H+]3C)cc2F)n1 ZINC000329239283 553908805 /nfs/dbraw/zinc/90/88/05/553908805.db2.gz QFHUUJKZSCMDRN-INIZCTEOSA-N 1 2 374.464 2.200 20 30 FEEDLO [O-]C(=[NH+][C@@H]1CCc2c[nH]nc2C1)N1CCc2c([nH+]cn2-c2ccccc2)C1 ZINC000329293634 553919040 /nfs/dbraw/zinc/91/90/40/553919040.db2.gz RSHOULUFHIHPNO-OAHLLOKOSA-N 1 2 362.437 2.425 20 30 FEEDLO Cc1nc(C[N@@H+]2CCCN(C(=O)NC[C@]3(C)CCOC3)CC2)cs1 ZINC000329331364 553926395 /nfs/dbraw/zinc/92/63/95/553926395.db2.gz MITXJILCYQVVTQ-KRWDZBQOSA-N 1 2 352.504 2.300 20 30 FEEDLO Cc1nc(C[N@H+]2CCCN(C(=O)NC[C@]3(C)CCOC3)CC2)cs1 ZINC000329331364 553926397 /nfs/dbraw/zinc/92/63/97/553926397.db2.gz MITXJILCYQVVTQ-KRWDZBQOSA-N 1 2 352.504 2.300 20 30 FEEDLO CC[C@@H]1CCCN(C(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)CC1 ZINC000329402400 553939729 /nfs/dbraw/zinc/93/97/29/553939729.db2.gz BSFPODRRMMKITE-QGZVFWFLSA-N 1 2 364.534 2.357 20 30 FEEDLO C[C@H](CC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C)NC(=O)C1CCCC1 ZINC000329402497 553939890 /nfs/dbraw/zinc/93/98/90/553939890.db2.gz WLUIQASVBQCACD-HLLBOEOZSA-N 1 2 351.491 2.233 20 30 FEEDLO C[C@@H](NC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1)C1CCCC1 ZINC000329415948 553942276 /nfs/dbraw/zinc/94/22/76/553942276.db2.gz GBRJBTYGMQAYEL-CQSZACIVSA-N 1 2 359.474 2.374 20 30 FEEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN([C@@H]2CCN(c3ccccc3F)C2=O)CC1 ZINC000329418674 553942961 /nfs/dbraw/zinc/94/29/61/553942961.db2.gz GJQJVJBTMDIUAT-RDTXWAMCSA-N 1 2 374.460 2.056 20 30 FEEDLO C[NH+]1CCN(C(=O)c2cc(NC(=O)NCC3CCCCC3)ccn2)CC1 ZINC000329430669 553945062 /nfs/dbraw/zinc/94/50/62/553945062.db2.gz KFZSGVZLVTVGLY-UHFFFAOYSA-N 1 2 359.474 2.375 20 30 FEEDLO C[NH+]1CCN(C(=O)c2cc(NC(=O)N3CCC[C@H]4CCC[C@H]43)ccn2)CC1 ZINC000329436211 553946713 /nfs/dbraw/zinc/94/67/13/553946713.db2.gz LZORGYRBMZYJPO-CRAIPNDOSA-N 1 2 371.485 2.279 20 30 FEEDLO C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1CCO[C@H](C2CCCCC2)C1 ZINC000329471350 553952634 /nfs/dbraw/zinc/95/26/34/553952634.db2.gz YXEQKMYWDOLWNJ-PBHICJAKSA-N 1 2 351.491 2.233 20 30 FEEDLO C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+]1CCO[C@H](C2CCCCC2)C1 ZINC000329471350 553952636 /nfs/dbraw/zinc/95/26/36/553952636.db2.gz YXEQKMYWDOLWNJ-PBHICJAKSA-N 1 2 351.491 2.233 20 30 FEEDLO COCCn1cc2c(n1)[C@H](NC(=O)N1CCC[C@H]1Cn1cc[nH+]c1)CCC2 ZINC000329493797 553957249 /nfs/dbraw/zinc/95/72/49/553957249.db2.gz FBSPKGPNJKWKFI-DLBZAZTESA-N 1 2 372.473 2.182 20 30 FEEDLO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)NC[C@H]2CCCSC2)CC1 ZINC000329705051 553992630 /nfs/dbraw/zinc/99/26/30/553992630.db2.gz JWGYWOAQGMIXPP-MRXNPFEDSA-N 1 2 365.547 2.212 20 30 FEEDLO Cc1nc(C)c(NC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)s1 ZINC000329832415 554014233 /nfs/dbraw/zinc/01/42/33/554014233.db2.gz TZBHYZWJECYZRJ-HNNXBMFYSA-N 1 2 356.517 2.294 20 30 FEEDLO CN1CC[NH+](Cc2cccc(NC(=O)c3cc4n(n3)CCCO4)c2)CC1 ZINC000329893332 554025515 /nfs/dbraw/zinc/02/55/15/554025515.db2.gz JLNHJAHDQBSUCX-UHFFFAOYSA-N 1 2 355.442 2.049 20 30 FEEDLO COc1cc(Cl)c(C)cc1NC(=O)CN1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000329910629 554029579 /nfs/dbraw/zinc/02/95/79/554029579.db2.gz AAZIOEQHERXWHO-ZBFHGGJFSA-N 1 2 353.850 2.260 20 30 FEEDLO COc1cc(Cl)c(C)cc1NC(=O)CN1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000329910629 554029582 /nfs/dbraw/zinc/02/95/82/554029582.db2.gz AAZIOEQHERXWHO-ZBFHGGJFSA-N 1 2 353.850 2.260 20 30 FEEDLO CCn1nccc1[C@@H]1OCC[C@H]1CNC(=O)C1([NH+]2CCOCC2)CCC1 ZINC000329955205 554038478 /nfs/dbraw/zinc/03/84/78/554038478.db2.gz OFACNFAATINKIQ-DOTOQJQBSA-N 1 2 362.474 2.192 20 30 FEEDLO CCN1CCN(C(=O)N[C@H](C)c2ccc3c(c2)OCO3)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329985128 554044435 /nfs/dbraw/zinc/04/44/35/554044435.db2.gz CWJOZKMORMUNKE-UKRRQHHQSA-N 1 2 371.441 2.492 20 30 FEEDLO Cc1ccc(NC(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)cc1C(=O)N(C)C(C)C ZINC000330193512 554082310 /nfs/dbraw/zinc/08/23/10/554082310.db2.gz OFXGWIDWHSUKOK-ZWKOTPCHSA-N 1 2 374.485 2.036 20 30 FEEDLO Cc1ccc(NC(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)cc1C(=O)N(C)C(C)C ZINC000330193512 554082313 /nfs/dbraw/zinc/08/23/13/554082313.db2.gz OFXGWIDWHSUKOK-ZWKOTPCHSA-N 1 2 374.485 2.036 20 30 FEEDLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)N[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000330277262 554097710 /nfs/dbraw/zinc/09/77/10/554097710.db2.gz NZPHLOUYCSXHRO-NZSAHSFTSA-N 1 2 370.497 2.085 20 30 FEEDLO CC(C)c1noc([C@H](NC(=O)NCc2[nH+]ccn2C)C2CCOCC2)n1 ZINC000330339717 554107918 /nfs/dbraw/zinc/10/79/18/554107918.db2.gz WZNIJTNZSDTIMP-CQSZACIVSA-N 1 2 362.434 2.098 20 30 FEEDLO C[NH+](C)[C@H](CNC(=O)N[C@H]1CCC(=O)NC1(C)C)c1c(F)cccc1F ZINC000330424937 554120411 /nfs/dbraw/zinc/12/04/11/554120411.db2.gz FXDFKZLMSDQYEK-KGLIPLIRSA-N 1 2 368.428 2.128 20 30 FEEDLO COC[C@@H]1C[N@H+](CC(=O)NC(=O)Nc2ccc(C)cc2C)CC(C)(C)O1 ZINC000330515050 554131870 /nfs/dbraw/zinc/13/18/70/554131870.db2.gz DQVGSKVMQGFFQD-HNNXBMFYSA-N 1 2 363.458 2.091 20 30 FEEDLO COC[C@@H]1C[N@@H+](CC(=O)NC(=O)Nc2ccc(C)cc2C)CC(C)(C)O1 ZINC000330515050 554131873 /nfs/dbraw/zinc/13/18/73/554131873.db2.gz DQVGSKVMQGFFQD-HNNXBMFYSA-N 1 2 363.458 2.091 20 30 FEEDLO CC(C)NC(=O)[C@@H]1CCC[C@@H](NC(=O)NCc2ccc(N(C)C)[nH+]c2)C1 ZINC000330831700 554176730 /nfs/dbraw/zinc/17/67/30/554176730.db2.gz UXCBICVWYJQJKR-HZPDHXFCSA-N 1 2 361.490 2.235 20 30 FEEDLO N#Cc1ccc(-c2nnc(C[N@H+]3CCC[C@](O)(C(F)(F)F)C3)o2)cc1 ZINC000331269817 554239134 /nfs/dbraw/zinc/23/91/34/554239134.db2.gz LXJCKYDXZMRFNM-OAHLLOKOSA-N 1 2 352.316 2.497 20 30 FEEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3CCC[C@](O)(C(F)(F)F)C3)o2)cc1 ZINC000331269817 554239135 /nfs/dbraw/zinc/23/91/35/554239135.db2.gz LXJCKYDXZMRFNM-OAHLLOKOSA-N 1 2 352.316 2.497 20 30 FEEDLO C[C@@H]1CCC[C@H](NC(=O)C[NH+]2CCN(c3cc(C#N)ccn3)CC2)[C@H]1C ZINC000332068592 554373634 /nfs/dbraw/zinc/37/36/34/554373634.db2.gz AMPVLWWZQSIYRG-RYRKJORJSA-N 1 2 355.486 2.016 20 30 FEEDLO C[NH+](C)C1(C#N)CCN(C(=O)C(=O)N2CCC[C@@H](C(C)(C)C)CC2)CC1 ZINC000332345506 554429418 /nfs/dbraw/zinc/42/94/18/554429418.db2.gz UHMBZJNVQXBOLO-MRXNPFEDSA-N 1 2 362.518 2.108 20 30 FEEDLO C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(Cc2cccc(C#N)c2F)CC1 ZINC000332565542 554472877 /nfs/dbraw/zinc/47/28/77/554472877.db2.gz UQHCEQRRYVDNDG-MRXNPFEDSA-N 1 2 358.461 2.216 20 30 FEEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)Nc3cc(C#N)ccc3OC(F)F)C[C@H]21 ZINC000332574647 554474919 /nfs/dbraw/zinc/47/49/19/554474919.db2.gz CRQROXCWUXUVEM-UKRRQHHQSA-N 1 2 366.368 2.096 20 30 FEEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)Nc3cc(C#N)ccc3OC(F)F)C[C@H]21 ZINC000332574647 554474921 /nfs/dbraw/zinc/47/49/21/554474921.db2.gz CRQROXCWUXUVEM-UKRRQHHQSA-N 1 2 366.368 2.096 20 30 FEEDLO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCO[C@@H](C(=O)C3CC3)C1)CCC2 ZINC000333184094 554585406 /nfs/dbraw/zinc/58/54/06/554585406.db2.gz SNGDXDPPZJHNQY-OAHLLOKOSA-N 1 2 373.478 2.117 20 30 FEEDLO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCO[C@@H](C(=O)C3CC3)C1)CCC2 ZINC000333184094 554585408 /nfs/dbraw/zinc/58/54/08/554585408.db2.gz SNGDXDPPZJHNQY-OAHLLOKOSA-N 1 2 373.478 2.117 20 30 FEEDLO C[C@@H]1C[C@H](NC(=O)N2CCN(c3cccc(F)c3C#N)CC2)c2[nH+]ccn21 ZINC000333190037 554586539 /nfs/dbraw/zinc/58/65/39/554586539.db2.gz NXZRUDHQRYDTLV-CJNGLKHVSA-N 1 2 368.416 2.431 20 30 FEEDLO C[C@H](CNS(=O)(=O)CC1(CC#N)CC1)[N@@H+]1CCc2sccc2C1 ZINC000333406671 554610115 /nfs/dbraw/zinc/61/01/15/554610115.db2.gz JMNJBMVIWBJTDT-CYBMUJFWSA-N 1 2 353.513 2.108 20 30 FEEDLO C[C@H](CNS(=O)(=O)CC1(CC#N)CC1)[N@H+]1CCc2sccc2C1 ZINC000333406671 554610116 /nfs/dbraw/zinc/61/01/16/554610116.db2.gz JMNJBMVIWBJTDT-CYBMUJFWSA-N 1 2 353.513 2.108 20 30 FEEDLO CC1(C)CC[N@@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC[S@@]1=O ZINC000333728223 554637238 /nfs/dbraw/zinc/63/72/38/554637238.db2.gz STLCRGPMLBWOLT-GKVSMKOHSA-N 1 2 359.495 2.287 20 30 FEEDLO CC1(C)CC[N@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC[S@@]1=O ZINC000333728223 554637239 /nfs/dbraw/zinc/63/72/39/554637239.db2.gz STLCRGPMLBWOLT-GKVSMKOHSA-N 1 2 359.495 2.287 20 30 FEEDLO CN(C[C@@H]1CCC[N@H+](CC#Cc2ccccc2Cl)C1)S(C)(=O)=O ZINC000511126058 561858345 /nfs/dbraw/zinc/85/83/45/561858345.db2.gz PFUXFYLPOQRTOF-HNNXBMFYSA-N 1 2 354.903 2.295 20 30 FEEDLO CN(C[C@@H]1CCC[N@@H+](CC#Cc2ccccc2Cl)C1)S(C)(=O)=O ZINC000511126058 561858346 /nfs/dbraw/zinc/85/83/46/561858346.db2.gz PFUXFYLPOQRTOF-HNNXBMFYSA-N 1 2 354.903 2.295 20 30 FEEDLO N#Cc1ccc(N2CCC[N@@H+]([C@H](C(N)=O)c3ccc(F)cc3)CC2)cc1 ZINC000362102764 554950312 /nfs/dbraw/zinc/95/03/12/554950312.db2.gz MLLLYAJIFVZFLN-IBGZPJMESA-N 1 2 352.413 2.436 20 30 FEEDLO N#Cc1ccc(N2CCC[N@H+]([C@H](C(N)=O)c3ccc(F)cc3)CC2)cc1 ZINC000362102764 554950314 /nfs/dbraw/zinc/95/03/14/554950314.db2.gz MLLLYAJIFVZFLN-IBGZPJMESA-N 1 2 352.413 2.436 20 30 FEEDLO C[C@@H](C(=O)NCC(F)(F)F)[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000362962433 555003469 /nfs/dbraw/zinc/00/34/69/555003469.db2.gz SCPIMRVCZRPSJK-LBPRGKRZSA-N 1 2 355.360 2.468 20 30 FEEDLO COc1ccc([NH+]2CCC(N(C)S(=O)(=O)CCCC#N)CC2)cc1 ZINC000363402732 555096785 /nfs/dbraw/zinc/09/67/85/555096785.db2.gz PNKQDTWKWZBCAM-UHFFFAOYSA-N 1 2 351.472 2.229 20 30 FEEDLO N#Cc1ccsc1NC(=O)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000511959919 561886983 /nfs/dbraw/zinc/88/69/83/561886983.db2.gz IMNFAQXRJUQMAK-UHFFFAOYSA-N 1 2 365.418 2.119 20 30 FEEDLO C=CCSCCNC(=O)N1CCC[C@H]([N@H+](C)Cc2noc(C)n2)CC1 ZINC000364718920 555384745 /nfs/dbraw/zinc/38/47/45/555384745.db2.gz YATRCLNPGDONRF-HNNXBMFYSA-N 1 2 367.519 2.293 20 30 FEEDLO C=CCSCCNC(=O)N1CCC[C@H]([N@@H+](C)Cc2noc(C)n2)CC1 ZINC000364718920 555384747 /nfs/dbraw/zinc/38/47/47/555384747.db2.gz YATRCLNPGDONRF-HNNXBMFYSA-N 1 2 367.519 2.293 20 30 FEEDLO COc1cc(C#N)ccc1OCC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000364769649 555397782 /nfs/dbraw/zinc/39/77/82/555397782.db2.gz JOHPDSVLLUBPDG-MRXNPFEDSA-N 1 2 353.378 2.021 20 30 FEEDLO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)cc1C ZINC000364955647 555449179 /nfs/dbraw/zinc/44/91/79/555449179.db2.gz QOOMFIDZXFUQON-HQRMLTQVSA-N 1 2 368.481 2.136 20 30 FEEDLO Cc1ccc(N(CCC#N)C(=O)C[N@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)cc1C ZINC000364955647 555449183 /nfs/dbraw/zinc/44/91/83/555449183.db2.gz QOOMFIDZXFUQON-HQRMLTQVSA-N 1 2 368.481 2.136 20 30 FEEDLO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000365381905 555558688 /nfs/dbraw/zinc/55/86/88/555558688.db2.gz VMDXVFRKFZDHJP-UHFFFAOYSA-N 1 2 367.453 2.400 20 30 FEEDLO CC(C)(CCC#N)CNC(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000513128780 561926249 /nfs/dbraw/zinc/92/62/49/561926249.db2.gz HKQRUACZXBXXSM-UHFFFAOYSA-N 1 2 368.485 2.491 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1Cc2ccccc2[C@H](n2cccn2)C1 ZINC000365421503 555570970 /nfs/dbraw/zinc/57/09/70/555570970.db2.gz PRBVUUVHQIEIBC-QUCCMNQESA-N 1 2 351.454 2.343 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1Cc2ccccc2[C@H](n2cccn2)C1 ZINC000365421503 555570971 /nfs/dbraw/zinc/57/09/71/555570971.db2.gz PRBVUUVHQIEIBC-QUCCMNQESA-N 1 2 351.454 2.343 20 30 FEEDLO N#Cc1cccc(CNC(=O)C[N@@H+](Cc2ccco2)C[C@@H]2CCCO2)c1 ZINC000513643979 561945760 /nfs/dbraw/zinc/94/57/60/561945760.db2.gz YOAWAWFMCVTGIV-IBGZPJMESA-N 1 2 353.422 2.449 20 30 FEEDLO N#Cc1cccc(CNC(=O)C[N@H+](Cc2ccco2)C[C@@H]2CCCO2)c1 ZINC000513643979 561945761 /nfs/dbraw/zinc/94/57/61/561945761.db2.gz YOAWAWFMCVTGIV-IBGZPJMESA-N 1 2 353.422 2.449 20 30 FEEDLO COc1cc(C[N@H+](C)CCS(=O)(=O)c2cccc(C#N)c2)cc(OC)c1 ZINC000513784296 561949652 /nfs/dbraw/zinc/94/96/52/561949652.db2.gz OSCTZCNDJYUTSS-UHFFFAOYSA-N 1 2 374.462 2.481 20 30 FEEDLO COc1cc(C[N@@H+](C)CCS(=O)(=O)c2cccc(C#N)c2)cc(OC)c1 ZINC000513784296 561949653 /nfs/dbraw/zinc/94/96/53/561949653.db2.gz OSCTZCNDJYUTSS-UHFFFAOYSA-N 1 2 374.462 2.481 20 30 FEEDLO Cn1cc(C#N)c(=NC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)[nH]1 ZINC000619727522 555827117 /nfs/dbraw/zinc/82/71/17/555827117.db2.gz CRGLYOWAABMLMG-ZDUSSCGKSA-N 1 2 353.430 2.236 20 30 FEEDLO N#Cc1ccc(O[C@H]2CCN(Cc3[nH+]ccn3CC(F)(F)F)C2)nc1 ZINC000366409584 555835490 /nfs/dbraw/zinc/83/54/90/555835490.db2.gz VLPNOLMHHJISEB-ZDUSSCGKSA-N 1 2 351.332 2.365 20 30 FEEDLO CC(C)c1nc2n(n1)CCC[C@@H]2[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000514598721 561969020 /nfs/dbraw/zinc/96/90/20/561969020.db2.gz IWKORZXULGXHEV-INIZCTEOSA-N 1 2 373.482 2.172 20 30 FEEDLO N#CC1(c2ccccn2)CC[NH+](CC(=O)N2CCO[C@@H]3CCCC[C@H]32)CC1 ZINC000367057565 556000714 /nfs/dbraw/zinc/00/07/14/556000714.db2.gz KUNPBUFUXJBIIZ-QZTJIDSGSA-N 1 2 368.481 2.109 20 30 FEEDLO COc1ccc(C[N@H+](CCO)Cc2ccc(C#N)cc2[N+](=O)[O-])c(OC)c1 ZINC000515386764 562008588 /nfs/dbraw/zinc/00/85/88/562008588.db2.gz SZMANRDLJVPBGQ-UHFFFAOYSA-N 1 2 371.393 2.478 20 30 FEEDLO COc1ccc(C[N@@H+](CCO)Cc2ccc(C#N)cc2[N+](=O)[O-])c(OC)c1 ZINC000515386764 562008589 /nfs/dbraw/zinc/00/85/89/562008589.db2.gz SZMANRDLJVPBGQ-UHFFFAOYSA-N 1 2 371.393 2.478 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)c1 ZINC000368975649 556464604 /nfs/dbraw/zinc/46/46/04/556464604.db2.gz RUSKITJZQSSUQS-QRFRQXIXSA-N 1 2 368.481 2.136 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)c1 ZINC000368975649 556464608 /nfs/dbraw/zinc/46/46/08/556464608.db2.gz RUSKITJZQSSUQS-QRFRQXIXSA-N 1 2 368.481 2.136 20 30 FEEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C2CCC2)C1 ZINC000369066643 556495210 /nfs/dbraw/zinc/49/52/10/556495210.db2.gz SAWDUDXFUJGNEB-WMZOPIPTSA-N 1 2 368.481 2.312 20 30 FEEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@H](NC(=O)C2CCC2)C1 ZINC000369066643 556495211 /nfs/dbraw/zinc/49/52/11/556495211.db2.gz SAWDUDXFUJGNEB-WMZOPIPTSA-N 1 2 368.481 2.312 20 30 FEEDLO N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000515812889 562022594 /nfs/dbraw/zinc/02/25/94/562022594.db2.gz SWTYRSKETGNFNH-SCTDSRPQSA-N 1 2 354.454 2.098 20 30 FEEDLO N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000515812889 562022596 /nfs/dbraw/zinc/02/25/96/562022596.db2.gz SWTYRSKETGNFNH-SCTDSRPQSA-N 1 2 354.454 2.098 20 30 FEEDLO Cc1nc(C)n(C[C@@H]2CCC[N@@H+]2CC(=O)Nc2oc(C)c(C)c2C#N)n1 ZINC000369278572 556562084 /nfs/dbraw/zinc/56/20/84/556562084.db2.gz ITNNHRLVIFTHEV-HNNXBMFYSA-N 1 2 356.430 2.080 20 30 FEEDLO Cc1nc(C)n(C[C@@H]2CCC[N@H+]2CC(=O)Nc2oc(C)c(C)c2C#N)n1 ZINC000369278572 556562085 /nfs/dbraw/zinc/56/20/85/556562085.db2.gz ITNNHRLVIFTHEV-HNNXBMFYSA-N 1 2 356.430 2.080 20 30 FEEDLO COc1ccc(C#N)cc1C[N@@H+]1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000369514951 556616817 /nfs/dbraw/zinc/61/68/17/556616817.db2.gz FULPJLOYFMSDRG-IERDGZPVSA-N 1 2 358.401 2.412 20 30 FEEDLO COc1ccc(C#N)cc1C[N@H+]1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000369514951 556616820 /nfs/dbraw/zinc/61/68/20/556616820.db2.gz FULPJLOYFMSDRG-IERDGZPVSA-N 1 2 358.401 2.412 20 30 FEEDLO C#CC[C@@H](C)NC(=O)N[C@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1 ZINC000369772241 556690484 /nfs/dbraw/zinc/69/04/84/556690484.db2.gz ZOCGRSATUNKBMI-DYVFJYSZSA-N 1 2 356.426 2.238 20 30 FEEDLO Cc1cc(-c2noc(C[NH+]3CCC(n4cnc(C#N)n4)CC3)n2)ccc1F ZINC000370123190 556786813 /nfs/dbraw/zinc/78/68/13/556786813.db2.gz RAKZOJSTGKAEAY-UHFFFAOYSA-N 1 2 367.388 2.484 20 30 FEEDLO N#Cc1ccc(CNC(=O)C[N@@H+]2CCO[C@@]3(CCc4ccccc43)C2)cc1 ZINC000371033810 557052758 /nfs/dbraw/zinc/05/27/58/557052758.db2.gz HHUSWJWAAGODOB-QFIPXVFZSA-N 1 2 361.445 2.348 20 30 FEEDLO N#Cc1ccc(CNC(=O)C[N@H+]2CCO[C@@]3(CCc4ccccc43)C2)cc1 ZINC000371033810 557052762 /nfs/dbraw/zinc/05/27/62/557052762.db2.gz HHUSWJWAAGODOB-QFIPXVFZSA-N 1 2 361.445 2.348 20 30 FEEDLO C=C[C@H](CC(=O)N1CCC[N@@H+](CC(=O)NC(C)C)CC1)c1ccccc1 ZINC000371164260 557094218 /nfs/dbraw/zinc/09/42/18/557094218.db2.gz MSLHLGSFBOMQIB-GOSISDBHSA-N 1 2 357.498 2.405 20 30 FEEDLO C=C[C@H](CC(=O)N1CCC[N@H+](CC(=O)NC(C)C)CC1)c1ccccc1 ZINC000371164260 557094220 /nfs/dbraw/zinc/09/42/20/557094220.db2.gz MSLHLGSFBOMQIB-GOSISDBHSA-N 1 2 357.498 2.405 20 30 FEEDLO N#CCOc1cccc(CC(=O)NC2CC[NH+](Cc3cscn3)CC2)c1 ZINC000371215525 557109208 /nfs/dbraw/zinc/10/92/08/557109208.db2.gz LPHZOQKFIQDNPW-UHFFFAOYSA-N 1 2 370.478 2.369 20 30 FEEDLO C=C1CC[NH+]([C@@H](C)C(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)CC1 ZINC000517468582 562090855 /nfs/dbraw/zinc/09/08/55/562090855.db2.gz SKOILQJXMIORTC-ZDUSSCGKSA-N 1 2 360.410 2.239 20 30 FEEDLO N#C[C@@H]1C[N@@H+](Cc2c[nH]nc2-c2cccnc2)C[C@@]12C(=O)Nc1ccccc12 ZINC000371465928 557190220 /nfs/dbraw/zinc/19/02/20/557190220.db2.gz JNEQBGFMGHDCTG-IIBYNOLFSA-N 1 2 370.416 2.317 20 30 FEEDLO N#C[C@@H]1C[N@H+](Cc2c[nH]nc2-c2cccnc2)C[C@@]12C(=O)Nc1ccccc12 ZINC000371465928 557190222 /nfs/dbraw/zinc/19/02/22/557190222.db2.gz JNEQBGFMGHDCTG-IIBYNOLFSA-N 1 2 370.416 2.317 20 30 FEEDLO CNS(=O)(=O)[C@H]1CCC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000371866840 557315365 /nfs/dbraw/zinc/31/53/65/557315365.db2.gz RRANUBUGJRIQRZ-HNNXBMFYSA-N 1 2 360.401 2.071 20 30 FEEDLO CNS(=O)(=O)[C@H]1CCC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000371866840 557315367 /nfs/dbraw/zinc/31/53/67/557315367.db2.gz RRANUBUGJRIQRZ-HNNXBMFYSA-N 1 2 360.401 2.071 20 30 FEEDLO N#Cc1cccc([C@@H]2CN(c3cc(N4CCSCC4)[nH+]cn3)CCO2)c1 ZINC000372965106 557598677 /nfs/dbraw/zinc/59/86/77/557598677.db2.gz JVBASBRALYJFHG-KRWDZBQOSA-N 1 2 367.478 2.479 20 30 FEEDLO N#Cc1cccc([C@@H]2CN(c3cc(N4CCSCC4)nc[nH+]3)CCO2)c1 ZINC000372965106 557598678 /nfs/dbraw/zinc/59/86/78/557598678.db2.gz JVBASBRALYJFHG-KRWDZBQOSA-N 1 2 367.478 2.479 20 30 FEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)COc1ccc(Br)cc1Cl ZINC000519798637 562144153 /nfs/dbraw/zinc/14/41/53/562144153.db2.gz VIJSXQQVCCMYSU-AWEZNQCLSA-N 1 2 374.666 2.441 20 30 FEEDLO C=CCc1cc(C[N@H+]2C[C@@H](O)C[C@@H]2c2nc(CC)no2)cc(OC)c1O ZINC000373482403 557701913 /nfs/dbraw/zinc/70/19/13/557701913.db2.gz HCKWYRHHWIXDCY-LSDHHAIUSA-N 1 2 359.426 2.383 20 30 FEEDLO C=CCc1cc(C[N@@H+]2C[C@@H](O)C[C@@H]2c2nc(CC)no2)cc(OC)c1O ZINC000373482403 557701915 /nfs/dbraw/zinc/70/19/15/557701915.db2.gz HCKWYRHHWIXDCY-LSDHHAIUSA-N 1 2 359.426 2.383 20 30 FEEDLO N#Cc1ccc(CSCC(=O)N2CC[NH2+][C@H](c3ccncc3)C2)cc1 ZINC000374391262 557877580 /nfs/dbraw/zinc/87/75/80/557877580.db2.gz XAZKXYXBNLJAKS-SFHVURJKSA-N 1 2 352.463 2.360 20 30 FEEDLO C[C@@H](CSc1ccccc1)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000521118708 562169886 /nfs/dbraw/zinc/16/98/86/562169886.db2.gz JIQYRLYLALCEOV-KRWDZBQOSA-N 1 2 361.511 2.489 20 30 FEEDLO Cn1cc[nH+]c1[C@@H]1CCN(S(=O)(=O)c2cc(C#N)ccc2Cl)C1 ZINC000375372093 558016897 /nfs/dbraw/zinc/01/68/97/558016897.db2.gz YXKOFJFSSFVUEY-GFCCVEGCSA-N 1 2 350.831 2.123 20 30 FEEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375402954 558021372 /nfs/dbraw/zinc/02/13/72/558021372.db2.gz KTGMHCNVROCGFU-UKRRQHHQSA-N 1 2 368.397 2.327 20 30 FEEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375402954 558021373 /nfs/dbraw/zinc/02/13/73/558021373.db2.gz KTGMHCNVROCGFU-UKRRQHHQSA-N 1 2 368.397 2.327 20 30 FEEDLO Cn1cc[nH+]c1[C@@H](NC(=O)NCCc1cccc(C#N)c1)C1CCOCC1 ZINC000375699886 558069510 /nfs/dbraw/zinc/06/95/10/558069510.db2.gz CBNSSWKJBBPLEC-SFHVURJKSA-N 1 2 367.453 2.301 20 30 FEEDLO C=CCCCCCCNC(=O)N1CCC(N2CC[N@@H+](C)CC2=O)CC1 ZINC000377043472 558255300 /nfs/dbraw/zinc/25/53/00/558255300.db2.gz FJFDZANDHYQDES-UHFFFAOYSA-N 1 2 350.507 2.071 20 30 FEEDLO C=CCCCCCCNC(=O)N1CCC(N2CC[N@H+](C)CC2=O)CC1 ZINC000377043472 558255302 /nfs/dbraw/zinc/25/53/02/558255302.db2.gz FJFDZANDHYQDES-UHFFFAOYSA-N 1 2 350.507 2.071 20 30 FEEDLO C#CCCS(=O)(=O)N(C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000377338970 558319352 /nfs/dbraw/zinc/31/93/52/558319352.db2.gz DYOOSRIHNIOUJC-UHFFFAOYSA-N 1 2 364.515 2.162 20 30 FEEDLO C=CC[C@@H](C)NC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000377388189 558331106 /nfs/dbraw/zinc/33/11/06/558331106.db2.gz JTCMLSVEICPAIU-HZPDHXFCSA-N 1 2 366.506 2.288 20 30 FEEDLO C[C@@H]1C[N@H+](CCNc2c(C#N)cnc3ccc(OC(F)F)cc32)CCO1 ZINC000522275554 562196008 /nfs/dbraw/zinc/19/60/08/562196008.db2.gz MQQMGBVWIMRGNK-GFCCVEGCSA-N 1 2 362.380 2.262 20 30 FEEDLO C[C@@H]1C[N@@H+](CCNc2c(C#N)cnc3ccc(OC(F)F)cc32)CCO1 ZINC000522275554 562196009 /nfs/dbraw/zinc/19/60/09/562196009.db2.gz MQQMGBVWIMRGNK-GFCCVEGCSA-N 1 2 362.380 2.262 20 30 FEEDLO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(C#N)cc1F)c1ccsc1 ZINC000523563029 562215432 /nfs/dbraw/zinc/21/54/32/562215432.db2.gz IHDXMWCCKFZZEH-CQSZACIVSA-N 1 2 353.444 2.340 20 30 FEEDLO C[C@@H]1[C@@H](C)[N@H+](C)CCN1S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000408394544 558673690 /nfs/dbraw/zinc/67/36/90/558673690.db2.gz JUMVKUSBIHZWFV-GHMZBOCLSA-N 1 2 372.288 2.034 20 30 FEEDLO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000408394544 558673692 /nfs/dbraw/zinc/67/36/92/558673692.db2.gz JUMVKUSBIHZWFV-GHMZBOCLSA-N 1 2 372.288 2.034 20 30 FEEDLO N#Cc1cc(S(=O)(=O)NCC[N@H+]2CC=CCC2)ccc1C(F)(F)F ZINC000410416432 558756403 /nfs/dbraw/zinc/75/64/03/558756403.db2.gz HFRYFKLWOFPJAG-UHFFFAOYSA-N 1 2 359.373 2.117 20 30 FEEDLO N#Cc1cc(S(=O)(=O)NCC[N@@H+]2CC=CCC2)ccc1C(F)(F)F ZINC000410416432 558756404 /nfs/dbraw/zinc/75/64/04/558756404.db2.gz HFRYFKLWOFPJAG-UHFFFAOYSA-N 1 2 359.373 2.117 20 30 FEEDLO N#Cc1nnc2ccccc2c1N1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000524841681 562235949 /nfs/dbraw/zinc/23/59/49/562235949.db2.gz CWYXBLBJRXPZDW-UHFFFAOYSA-N 1 2 372.432 2.262 20 30 FEEDLO C[C@@H]1C(=O)N(C)CC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000411570453 558919679 /nfs/dbraw/zinc/91/96/79/558919679.db2.gz NRRXBBWMZSNHIZ-QWHCGFSZSA-N 1 2 374.510 2.236 20 30 FEEDLO C[C@@H]1C(=O)N(C)CC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000411570453 558919680 /nfs/dbraw/zinc/91/96/80/558919680.db2.gz NRRXBBWMZSNHIZ-QWHCGFSZSA-N 1 2 374.510 2.236 20 30 FEEDLO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCc4n[nH]nc4C3)sc2C1 ZINC000411621745 558930747 /nfs/dbraw/zinc/93/07/47/558930747.db2.gz RHRSUGZBGPKZPJ-NSHDSACASA-N 1 2 370.482 2.250 20 30 FEEDLO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCc4n[nH]nc4C3)sc2C1 ZINC000411621745 558930749 /nfs/dbraw/zinc/93/07/49/558930749.db2.gz RHRSUGZBGPKZPJ-NSHDSACASA-N 1 2 370.482 2.250 20 30 FEEDLO COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)C[C@H](CC#N)c2ccccc2)C1 ZINC000412376708 559032058 /nfs/dbraw/zinc/03/20/58/559032058.db2.gz XOJKMZJLFJYBIL-WMZOPIPTSA-N 1 2 357.454 2.075 20 30 FEEDLO COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)C[C@H](CC#N)c2ccccc2)C1 ZINC000412376708 559032060 /nfs/dbraw/zinc/03/20/60/559032060.db2.gz XOJKMZJLFJYBIL-WMZOPIPTSA-N 1 2 357.454 2.075 20 30 FEEDLO C=CCn1c(SC[C@@H](O)C[N@H+](C)CCC#N)nnc1-c1ccoc1C ZINC000414095588 559149123 /nfs/dbraw/zinc/14/91/23/559149123.db2.gz KNUDHVIDMOBVEI-AWEZNQCLSA-N 1 2 361.471 2.331 20 30 FEEDLO C=CCn1c(SC[C@@H](O)C[N@@H+](C)CCC#N)nnc1-c1ccoc1C ZINC000414095588 559149124 /nfs/dbraw/zinc/14/91/24/559149124.db2.gz KNUDHVIDMOBVEI-AWEZNQCLSA-N 1 2 361.471 2.331 20 30 FEEDLO CC(=O)c1ccc(Br)cc1OC[C@@H](O)C[N@H+](C)CCC#N ZINC000414144166 559150505 /nfs/dbraw/zinc/15/05/05/559150505.db2.gz OGUPWIMSJIBTBP-ZDUSSCGKSA-N 1 2 355.232 2.237 20 30 FEEDLO CC(=O)c1ccc(Br)cc1OC[C@@H](O)C[N@@H+](C)CCC#N ZINC000414144166 559150506 /nfs/dbraw/zinc/15/05/06/559150506.db2.gz OGUPWIMSJIBTBP-ZDUSSCGKSA-N 1 2 355.232 2.237 20 30 FEEDLO Cc1cc(N)cc(CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000418742331 559413425 /nfs/dbraw/zinc/41/34/25/559413425.db2.gz IBJJJJZMFXLSMT-UHFFFAOYSA-N 1 2 363.465 2.476 20 30 FEEDLO C[C@@H]1CN(c2ccc(CNC(=O)NCC3(C#N)CCC3)c[nH+]2)C[C@H](C)O1 ZINC000419418360 559441426 /nfs/dbraw/zinc/44/14/26/559441426.db2.gz YFMKIESFTFCMLR-GASCZTMLSA-N 1 2 357.458 2.188 20 30 FEEDLO N#Cc1cccc2c1CCN2CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000420970302 559515623 /nfs/dbraw/zinc/51/56/23/559515623.db2.gz FDOZFZQFPYRYAS-UHFFFAOYSA-N 1 2 366.490 2.327 20 30 FEEDLO Cn1nc(CC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c2ccccc21 ZINC000421738456 559551294 /nfs/dbraw/zinc/55/12/94/559551294.db2.gz SQAYTVDEIBJBEW-UHFFFAOYSA-N 1 2 373.460 2.332 20 30 FEEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)C(=O)NCC(C)(C)CC#N)CC1 ZINC000422473123 559590496 /nfs/dbraw/zinc/59/04/96/559590496.db2.gz BCFMYJGSGRYHRY-CQSZACIVSA-N 1 2 362.499 2.009 20 30 FEEDLO Cc1cc(N[C@H]2CCN([C@H](C(=O)OC(C)(C)C)C(C)C)C2=O)c(C#N)c[nH+]1 ZINC000425260410 559693909 /nfs/dbraw/zinc/69/39/09/559693909.db2.gz XDDYKNPTCRCHQV-RDJZCZTQSA-N 1 2 372.469 2.063 20 30 FEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H](C)[C@@H]1C(=O)OC(C)(C)C ZINC000425527222 559707867 /nfs/dbraw/zinc/70/78/67/559707867.db2.gz ZIOPECPHYQFNBZ-BFYDXBDKSA-N 1 2 351.491 2.437 20 30 FEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H](C)[C@@H]1C(=O)OC(C)(C)C ZINC000425527222 559707868 /nfs/dbraw/zinc/70/78/68/559707868.db2.gz ZIOPECPHYQFNBZ-BFYDXBDKSA-N 1 2 351.491 2.437 20 30 FEEDLO N#CCSc1ccccc1NC(=O)C[NH+]1CCC(O)(C(F)F)CC1 ZINC000426260072 559731756 /nfs/dbraw/zinc/73/17/56/559731756.db2.gz DDHFLELQJUDWOM-UHFFFAOYSA-N 1 2 355.410 2.333 20 30 FEEDLO CC[C@H]1CN(S(=O)(=O)c2cccnc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000428374345 559774129 /nfs/dbraw/zinc/77/41/29/559774129.db2.gz OFQXVDFCSMFQHL-KRWDZBQOSA-N 1 2 370.478 2.238 20 30 FEEDLO CC[C@H]1CN(S(=O)(=O)c2cccnc2C#N)CC[N@H+]1Cc1ccccc1 ZINC000428374345 559774130 /nfs/dbraw/zinc/77/41/30/559774130.db2.gz OFQXVDFCSMFQHL-KRWDZBQOSA-N 1 2 370.478 2.238 20 30 FEEDLO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1S(=O)(=O)c1cccnc1C#N ZINC000428410030 559775025 /nfs/dbraw/zinc/77/50/25/559775025.db2.gz DEDRVOGMZLPLKT-HZPDHXFCSA-N 1 2 370.478 2.237 20 30 FEEDLO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1S(=O)(=O)c1cccnc1C#N ZINC000428410030 559775026 /nfs/dbraw/zinc/77/50/26/559775026.db2.gz DEDRVOGMZLPLKT-HZPDHXFCSA-N 1 2 370.478 2.237 20 30 FEEDLO C[C@@H](c1ccccc1)[C@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)C(N)=O ZINC000428855340 559784915 /nfs/dbraw/zinc/78/49/15/559784915.db2.gz DCOVHKSCQAIZSV-UGSOOPFHSA-N 1 2 361.405 2.355 20 30 FEEDLO N#CCC1(CNC(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)CC1 ZINC000431172919 559835479 /nfs/dbraw/zinc/83/54/79/559835479.db2.gz MLPRVIQJGSDHDD-UHFFFAOYSA-N 1 2 351.410 2.336 20 30 FEEDLO N#Cc1cnc(C(=O)N2CC[NH+](Cc3cccc(O)c3)CC2)c(Cl)c1 ZINC000432194212 559853937 /nfs/dbraw/zinc/85/39/37/559853937.db2.gz ZXGVQZWZORPBMS-UHFFFAOYSA-N 1 2 356.813 2.270 20 30 FEEDLO O=S1(=O)CCCN1[C@@H]1CCC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC000434756268 559908635 /nfs/dbraw/zinc/90/86/35/559908635.db2.gz YXPBSAOEBAMGNS-MRXNPFEDSA-N 1 2 352.887 2.191 20 30 FEEDLO O=S1(=O)CCCN1[C@@H]1CCC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC000434756268 559908636 /nfs/dbraw/zinc/90/86/36/559908636.db2.gz YXPBSAOEBAMGNS-MRXNPFEDSA-N 1 2 352.887 2.191 20 30 FEEDLO CCN(C[C@H](C)C#N)C(=O)C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000437418334 559964487 /nfs/dbraw/zinc/96/44/87/559964487.db2.gz GJXDQDOBTJUCHQ-HZPDHXFCSA-N 1 2 372.469 2.026 20 30 FEEDLO Cn1cc[nH+]c1[C@@H](NC(=O)Nc1ccn(CCC#N)n1)c1ccc(F)cc1 ZINC000438328146 559977299 /nfs/dbraw/zinc/97/72/99/559977299.db2.gz MSXRJYXWSJZRBF-INIZCTEOSA-N 1 2 367.388 2.580 20 30 FEEDLO N#Cc1cccc(-c2nnc(C[NH+]3CCN(c4cc(C#N)ccn4)CC3)o2)c1 ZINC000441184207 560025799 /nfs/dbraw/zinc/02/57/99/560025799.db2.gz OGXXLTCAFOENPK-UHFFFAOYSA-N 1 2 371.404 2.197 20 30 FEEDLO Cc1cccc(NC(=O)C(=O)N2CC[NH+](Cc3cccs3)CC2)c1C#N ZINC000441649038 560036874 /nfs/dbraw/zinc/03/68/74/560036874.db2.gz QXEGPTYJSBNEPP-UHFFFAOYSA-N 1 2 368.462 2.211 20 30 FEEDLO Cn1c[nH+]cc1CC(=O)N1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000527480848 562289510 /nfs/dbraw/zinc/28/95/10/562289510.db2.gz IUFMNCFMJCLOMH-QGZVFWFLSA-N 1 2 357.845 2.025 20 30 FEEDLO CC(C)[C@H](CNc1ccc(C(F)(F)F)c(C#N)n1)N1CC[NH+](C)CC1 ZINC000443440621 560084085 /nfs/dbraw/zinc/08/40/85/560084085.db2.gz SRBRAGHTLQFNBA-HNNXBMFYSA-N 1 2 355.408 2.656 20 30 FEEDLO N#Cc1ccc(Cl)c(NC(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)c1 ZINC000447258063 560158935 /nfs/dbraw/zinc/15/89/35/560158935.db2.gz QKSOFDWPFWFWSL-UHFFFAOYSA-N 1 2 371.828 2.042 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccc2c(c1)OCCCCO2 ZINC000448993829 560210756 /nfs/dbraw/zinc/21/07/56/560210756.db2.gz NNPGWJFIHZHWOB-UHFFFAOYSA-N 1 2 359.470 2.286 20 30 FEEDLO N#Cc1ccc2[nH+]cc(CN3CCCc4c(OCC(N)=O)cccc43)n2c1 ZINC000449535433 560232972 /nfs/dbraw/zinc/23/29/72/560232972.db2.gz NIKSKNJZYNRJMO-UHFFFAOYSA-N 1 2 361.405 2.023 20 30 FEEDLO C=CCC1(C(=O)N2CC[C@H](OCC[NH+]3CCOCC3)C2)CCCCC1 ZINC000450119973 560251195 /nfs/dbraw/zinc/25/11/95/560251195.db2.gz QIBYJVMBTKFGJV-SFHVURJKSA-N 1 2 350.503 2.463 20 30 FEEDLO N#Cc1cnc(NC[C@@H](c2ccccc2)[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000450240951 560255189 /nfs/dbraw/zinc/25/51/89/560255189.db2.gz FKOYAMZBGMFSOU-KRWDZBQOSA-N 1 2 353.382 2.347 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1C[C@H](c2ccccc2)[C@](F)(CO)C1 ZINC000451254247 560296149 /nfs/dbraw/zinc/29/61/49/560296149.db2.gz BHENMUWHJSFVCN-RARDXLECSA-N 1 2 361.461 2.229 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1C[C@H](c2ccccc2)[C@](F)(CO)C1 ZINC000451254247 560296150 /nfs/dbraw/zinc/29/61/50/560296150.db2.gz BHENMUWHJSFVCN-RARDXLECSA-N 1 2 361.461 2.229 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@H]2COc2ccccc2)nc1 ZINC000451316181 560299866 /nfs/dbraw/zinc/29/98/66/560299866.db2.gz SGHAGQDECRCYSO-KRWDZBQOSA-N 1 2 371.462 2.270 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@H]2COc2ccccc2)nc1 ZINC000451316181 560299867 /nfs/dbraw/zinc/29/98/67/560299867.db2.gz SGHAGQDECRCYSO-KRWDZBQOSA-N 1 2 371.462 2.270 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451395851 560304259 /nfs/dbraw/zinc/30/42/59/560304259.db2.gz XOGWFEPMGJZQFH-YOEHRIQHSA-N 1 2 356.382 2.492 20 30 FEEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000451918519 560337210 /nfs/dbraw/zinc/33/72/10/560337210.db2.gz YKBLAPDMHYOETC-QMTHXVAHSA-N 1 2 361.751 2.395 20 30 FEEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000451918519 560337211 /nfs/dbraw/zinc/33/72/11/560337211.db2.gz YKBLAPDMHYOETC-QMTHXVAHSA-N 1 2 361.751 2.395 20 30 FEEDLO COC[C@H]1CCCC[N@@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000452043939 560347507 /nfs/dbraw/zinc/34/75/07/560347507.db2.gz VJBZTGFHTAYNIM-QGZVFWFLSA-N 1 2 353.426 2.183 20 30 FEEDLO COC[C@H]1CCCC[N@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000452043939 560347508 /nfs/dbraw/zinc/34/75/08/560347508.db2.gz VJBZTGFHTAYNIM-QGZVFWFLSA-N 1 2 353.426 2.183 20 30 FEEDLO N#Cc1ncc(NC(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)cc1Cl ZINC000455788909 560494758 /nfs/dbraw/zinc/49/47/58/560494758.db2.gz OSAMBCAEIQNBLF-CQSZACIVSA-N 1 2 363.849 2.325 20 30 FEEDLO C=CC[C@H](CO)CNC(=O)Nc1cc(N(C)C)c(Br)c[nH+]1 ZINC000455863160 560498069 /nfs/dbraw/zinc/49/80/69/560498069.db2.gz IZNXIIMYOPHJOC-JTQLQIEISA-N 1 2 357.252 2.216 20 30 FEEDLO C[C@H]1C[N@H+](CCOc2cccc(C#N)c2)CCN1C(=O)c1cscn1 ZINC000459525781 560692074 /nfs/dbraw/zinc/69/20/74/560692074.db2.gz VVCCTMFCSMJLAT-AWEZNQCLSA-N 1 2 356.451 2.240 20 30 FEEDLO C[C@H]1C[N@@H+](CCOc2cccc(C#N)c2)CCN1C(=O)c1cscn1 ZINC000459525781 560692075 /nfs/dbraw/zinc/69/20/75/560692075.db2.gz VVCCTMFCSMJLAT-AWEZNQCLSA-N 1 2 356.451 2.240 20 30 FEEDLO COC(=O)c1cccc2c1CC[N@H+](CC(=O)NCc1cccc(C#N)c1)C2 ZINC000459535529 560692572 /nfs/dbraw/zinc/69/25/72/560692572.db2.gz JQBORCAJFWNEQC-UHFFFAOYSA-N 1 2 363.417 2.019 20 30 FEEDLO COC(=O)c1cccc2c1CC[N@@H+](CC(=O)NCc1cccc(C#N)c1)C2 ZINC000459535529 560692573 /nfs/dbraw/zinc/69/25/73/560692573.db2.gz JQBORCAJFWNEQC-UHFFFAOYSA-N 1 2 363.417 2.019 20 30 FEEDLO C=CCN(Cc1cccs1)C(=O)C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000459861687 560714364 /nfs/dbraw/zinc/71/43/64/560714364.db2.gz CPLMESMUMKMTJJ-INIZCTEOSA-N 1 2 371.462 2.338 20 30 FEEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)c1cn(CCCC#N)c2ccccc12 ZINC000469376316 560953725 /nfs/dbraw/zinc/95/37/25/560953725.db2.gz BRVDTQQGOBTMGL-INIZCTEOSA-N 1 2 354.454 2.396 20 30 FEEDLO C[C@H]1COCC[N@H+]1CCNC(=O)c1cn(CCCC#N)c2ccccc12 ZINC000469376316 560953726 /nfs/dbraw/zinc/95/37/26/560953726.db2.gz BRVDTQQGOBTMGL-INIZCTEOSA-N 1 2 354.454 2.396 20 30 FEEDLO CCN(CC)C(=O)C[NH+]1CCN(C(=O)C[C@H](CC#N)c2ccccc2)CC1 ZINC000474413926 561073586 /nfs/dbraw/zinc/07/35/86/561073586.db2.gz MMZRYBOGCNWBSB-IBGZPJMESA-N 1 2 370.497 2.087 20 30 FEEDLO C=CC[N@H+](Cc1c([N+](=O)[O-])ncn1C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000475882249 561107178 /nfs/dbraw/zinc/10/71/78/561107178.db2.gz RLWNGQPMSQHIKY-ZDUSSCGKSA-N 1 2 368.401 2.053 20 30 FEEDLO C=CC[N@@H+](Cc1c([N+](=O)[O-])ncn1C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000475882249 561107179 /nfs/dbraw/zinc/10/71/79/561107179.db2.gz RLWNGQPMSQHIKY-ZDUSSCGKSA-N 1 2 368.401 2.053 20 30 FEEDLO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000476678710 561125816 /nfs/dbraw/zinc/12/58/16/561125816.db2.gz UDXOWPNNQXIMOE-UHFFFAOYSA-N 1 2 368.397 2.051 20 30 FEEDLO N#Cc1cccnc1N1CC[NH+]([C@H]2CCN(C3CCCCC3)C2=O)CC1 ZINC000528342310 562323657 /nfs/dbraw/zinc/32/36/57/562323657.db2.gz PRAQGPMCRZOSKN-SFHVURJKSA-N 1 2 353.470 2.009 20 30 FEEDLO N#Cc1ccc(N2CC[NH+]([C@@H]3CCN(C4CCCCC4)C3=O)CC2)nc1 ZINC000528358402 562324790 /nfs/dbraw/zinc/32/47/90/562324790.db2.gz NAXZOJIOTKKYMA-GOSISDBHSA-N 1 2 353.470 2.009 20 30 FEEDLO COCc1ccc(NC(=O)N(CC2CC2)C[C@H]2C[N@H+](C)CCO2)cc1C#N ZINC000529213345 562365232 /nfs/dbraw/zinc/36/52/32/562365232.db2.gz QBPJRTNWNVKWGG-LJQANCHMSA-N 1 2 372.469 2.279 20 30 FEEDLO COCc1ccc(NC(=O)N(CC2CC2)C[C@H]2C[N@@H+](C)CCO2)cc1C#N ZINC000529213345 562365233 /nfs/dbraw/zinc/36/52/33/562365233.db2.gz QBPJRTNWNVKWGG-LJQANCHMSA-N 1 2 372.469 2.279 20 30 FEEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)CCN1CCCC1=O ZINC000532582468 562482383 /nfs/dbraw/zinc/48/23/83/562482383.db2.gz SBLDLKAXTJXMMQ-HNNXBMFYSA-N 1 2 374.510 2.431 20 30 FEEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)CCN1CCCC1=O ZINC000532582468 562482384 /nfs/dbraw/zinc/48/23/84/562482384.db2.gz SBLDLKAXTJXMMQ-HNNXBMFYSA-N 1 2 374.510 2.431 20 30 FEEDLO C[C@@H](C#N)CN(CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)C1CC1 ZINC000532819371 562489840 /nfs/dbraw/zinc/48/98/40/562489840.db2.gz MAHSSAKJJYNHDD-INIZCTEOSA-N 1 2 356.470 2.081 20 30 FEEDLO N#Cc1cccc(C[N@@H+]2CCO[C@H](CN3C(=O)c4ccccc4C3=O)C2)c1 ZINC000533536708 562511971 /nfs/dbraw/zinc/51/19/71/562511971.db2.gz DGVVOSGEUDQVQO-KRWDZBQOSA-N 1 2 361.401 2.055 20 30 FEEDLO N#Cc1cccc(C[N@H+]2CCO[C@H](CN3C(=O)c4ccccc4C3=O)C2)c1 ZINC000533536708 562511972 /nfs/dbraw/zinc/51/19/72/562511972.db2.gz DGVVOSGEUDQVQO-KRWDZBQOSA-N 1 2 361.401 2.055 20 30 FEEDLO N#Cc1ccc([C@@H]([NH2+]CCOc2cccc(C(F)(F)F)n2)C(N)=O)cc1 ZINC000535402207 562557730 /nfs/dbraw/zinc/55/77/30/562557730.db2.gz QUMBOKSFINLCMO-OAHLLOKOSA-N 1 2 364.327 2.167 20 30 FEEDLO N#CCc1ccc(C[NH+]2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 ZINC000541280444 562607863 /nfs/dbraw/zinc/60/78/63/562607863.db2.gz AVJZQURLQPHVKO-UHFFFAOYSA-N 1 2 355.463 2.259 20 30 FEEDLO COc1ccccc1NC(=O)[C@@H](C)[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000546210507 562635170 /nfs/dbraw/zinc/63/51/70/562635170.db2.gz SQXDKPXLGGGPDB-OAHLLOKOSA-N 1 2 365.437 2.111 20 30 FEEDLO C[C@H](C#N)C[N@H+](Cc1ccc(S(N)(=O)=O)c(Br)c1)C1CC1 ZINC000602485286 567985377 /nfs/dbraw/zinc/98/53/77/567985377.db2.gz RCDNYLBDZORDCS-SNVBAGLBSA-N 1 2 372.288 2.221 20 30 FEEDLO C[C@H](C#N)C[N@@H+](Cc1ccc(S(N)(=O)=O)c(Br)c1)C1CC1 ZINC000602485286 567985378 /nfs/dbraw/zinc/98/53/78/567985378.db2.gz RCDNYLBDZORDCS-SNVBAGLBSA-N 1 2 372.288 2.221 20 30 FEEDLO CC[NH+]1CCN(S(=O)(=O)c2cccc(NC[C@@H](C)CCC#N)c2)CC1 ZINC000602648571 568004537 /nfs/dbraw/zinc/00/45/37/568004537.db2.gz CADAJEKQOZMUDS-INIZCTEOSA-N 1 2 364.515 2.365 20 30 FEEDLO C[C@@H](CC#N)[NH2+]CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000602869378 568008819 /nfs/dbraw/zinc/00/88/19/568008819.db2.gz NUHDJTCAYIKDDB-LBPRGKRZSA-N 1 2 370.375 2.372 20 30 FEEDLO C[C@H](CC#N)[NH2+]CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F ZINC000602861341 568049551 /nfs/dbraw/zinc/04/95/51/568049551.db2.gz HCWMBDCHYOTMCW-ZWNOBZJWSA-N 1 2 354.332 2.184 20 30 FEEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000603006759 568050124 /nfs/dbraw/zinc/05/01/24/568050124.db2.gz LGPAACVMDCCHJZ-KRWDZBQOSA-N 1 2 370.497 2.241 20 30 FEEDLO CC(C)[C@H](C#N)N1CC[NH+](CC(=O)N[C@H]2CCCc3ccccc32)CC1 ZINC000609486246 568346302 /nfs/dbraw/zinc/34/63/02/568346302.db2.gz GRWHYFLSFUXWEO-PMACEKPBSA-N 1 2 354.498 2.346 20 30 FEEDLO Cc1c(C#N)c2[nH]c3ccccc3n2c(=O)c1C=[NH+]N[C@@H]1CCSC1 ZINC000808000552 674437274 /nfs/dbraw/zinc/43/72/74/674437274.db2.gz PTUFMBZPBUQOCQ-GFCCVEGCSA-N 1 2 351.435 2.390 20 30 FEEDLO Cc1cc(C(N)=[NH+]OCCCOc2ccc(-c3nn[nH]n3)cc2)ccc1F ZINC000737246970 598698568 /nfs/dbraw/zinc/69/85/68/598698568.db2.gz WPZOSUWVHAADAO-UHFFFAOYSA-N 1 2 370.388 2.420 20 30 FEEDLO COc1ccc(CO[NH+]=C(N)c2ccc(F)c(C)c2)cc1-c1nn[nH]n1 ZINC000826207095 607972584 /nfs/dbraw/zinc/97/25/84/607972584.db2.gz ZXBYQJUIHPVFJB-UHFFFAOYSA-N 1 2 356.361 2.160 20 30 FEEDLO N#Cc1ccc(N2CC[NH+](Cc3ccc(-c4nn[nH]n4)s3)CC2)c(F)c1 ZINC000826385777 608640864 /nfs/dbraw/zinc/64/08/64/608640864.db2.gz ZYWHZSBGSGWDGE-UHFFFAOYSA-N 1 2 369.429 2.261 20 30 FEEDLO N#CC1(CS(=O)(=O)NCCc2[nH+]ccn2Cc2ccccc2)CCC1 ZINC000561999129 674714618 /nfs/dbraw/zinc/71/46/18/674714618.db2.gz KLMXUIUWVDJCOK-UHFFFAOYSA-N 1 2 358.467 2.087 20 30 FEEDLO C#CC[C@H](CO)NC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000816674259 675072225 /nfs/dbraw/zinc/07/22/25/675072225.db2.gz VROYXNJXRGPJQB-CVEARBPZSA-N 1 2 365.271 2.086 20 30 FEEDLO C[C@@H]([NH2+]Cc1nc(C#N)cs1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000573143359 671087801 /nfs/dbraw/zinc/08/78/01/671087801.db2.gz GSHOJISKAHLKPK-LLVKDONJSA-N 1 2 350.469 2.116 20 30 FEEDLO N#CCC[C@@H](C#N)C[NH2+]CC(=O)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000566108805 675181634 /nfs/dbraw/zinc/18/16/34/675181634.db2.gz FKEYSWPTLOYJOT-HNNXBMFYSA-N 1 2 359.861 2.022 20 30 FEEDLO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]CC1(C#N)CC1 ZINC000582586721 672015395 /nfs/dbraw/zinc/01/53/95/672015395.db2.gz BMTRPLBJHCPEFB-NSHDSACASA-N 1 2 366.259 2.356 20 30 FEEDLO C#CCC[NH+]1CCN(C(=O)c2cc(C3CC3)nc(SC)c2C#N)CC1 ZINC000128925649 672054680 /nfs/dbraw/zinc/05/46/80/672054680.db2.gz FEOLYJKJKAMDNQ-UHFFFAOYSA-N 1 2 354.479 2.334 20 30 FEEDLO CC#CCNC(=O)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000135948246 672136464 /nfs/dbraw/zinc/13/64/64/672136464.db2.gz OJLSIHBIVOSWLS-UHFFFAOYSA-N 1 2 355.360 2.436 20 30 FEEDLO Cc1cccn2cc(CCNS(=O)(=O)Cc3ccc(C#N)cc3)[nH+]c12 ZINC000588895235 672489747 /nfs/dbraw/zinc/48/97/47/672489747.db2.gz FIHOKIPSMCEQLY-UHFFFAOYSA-N 1 2 354.435 2.177 20 30 FEEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000590005760 672553698 /nfs/dbraw/zinc/55/36/98/672553698.db2.gz LKQFMLXIFMFBDQ-DANNLKNASA-N 1 2 359.495 2.386 20 30 FEEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000590005760 672553703 /nfs/dbraw/zinc/55/37/03/672553703.db2.gz LKQFMLXIFMFBDQ-DANNLKNASA-N 1 2 359.495 2.386 20 30 FEEDLO C[N@H+]1Cc2ccccc2[C@@H](NS(=O)(=O)Cc2ccc(F)cc2C#N)C1 ZINC000590750968 672610449 /nfs/dbraw/zinc/61/04/49/672610449.db2.gz QZGFUFALGZJGRO-SFHVURJKSA-N 1 2 359.426 2.303 20 30 FEEDLO C[N@@H+]1Cc2ccccc2[C@@H](NS(=O)(=O)Cc2ccc(F)cc2C#N)C1 ZINC000590750968 672610453 /nfs/dbraw/zinc/61/04/53/672610453.db2.gz QZGFUFALGZJGRO-SFHVURJKSA-N 1 2 359.426 2.303 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC3(CCOCC3)[C@H]2C2CC2)cc1 ZINC000590777033 672616751 /nfs/dbraw/zinc/61/67/51/672616751.db2.gz ATORRSYBKTYRHI-GOSISDBHSA-N 1 2 360.479 2.223 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC3(CCOCC3)[C@H]2C2CC2)cc1 ZINC000590777033 672616756 /nfs/dbraw/zinc/61/67/56/672616756.db2.gz ATORRSYBKTYRHI-GOSISDBHSA-N 1 2 360.479 2.223 20 30 FEEDLO C[C@@H]1CC[N@H+](CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C[C@H]1F ZINC000611502217 676040971 /nfs/dbraw/zinc/04/09/71/676040971.db2.gz PLXAWBMZOCKBHG-BZUAXINKSA-N 1 2 364.490 2.137 20 30 FEEDLO C[C@@H]1CC[N@@H+](CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C[C@H]1F ZINC000611502217 676040973 /nfs/dbraw/zinc/04/09/73/676040973.db2.gz PLXAWBMZOCKBHG-BZUAXINKSA-N 1 2 364.490 2.137 20 30 FEEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)CNC(=O)c1cc2c(s1)CCCC2 ZINC000328790748 673066902 /nfs/dbraw/zinc/06/69/02/673066902.db2.gz YWXLRNNDZUIJAO-CYBMUJFWSA-N 1 2 365.499 2.034 20 30 FEEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CCCC[C@H]1C(=O)N1CCCC1 ZINC000328840237 673067508 /nfs/dbraw/zinc/06/75/08/673067508.db2.gz OBURJZVGUMHDMI-BRWVUGGUSA-N 1 2 351.491 2.092 20 30 FEEDLO CC#CC[NH2+]Cc1cn(Cc2ccc(I)cc2)nn1 ZINC000594656581 673109007 /nfs/dbraw/zinc/10/90/07/673109007.db2.gz DCDOUVKWZVIYMZ-UHFFFAOYSA-N 1 2 366.206 2.044 20 30 FEEDLO N#Cc1cc(S(=O)(=O)NC[C@@H]2CC[N@@H+]2Cc2ccccc2)ccc1F ZINC000595394092 673241184 /nfs/dbraw/zinc/24/11/84/673241184.db2.gz CLZOJJITMJATPR-INIZCTEOSA-N 1 2 359.426 2.250 20 30 FEEDLO N#Cc1cc(S(=O)(=O)NC[C@@H]2CC[N@H+]2Cc2ccccc2)ccc1F ZINC000595394092 673241185 /nfs/dbraw/zinc/24/11/85/673241185.db2.gz CLZOJJITMJATPR-INIZCTEOSA-N 1 2 359.426 2.250 20 30 FEEDLO N#Cc1sccc1N1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC000597940586 673521420 /nfs/dbraw/zinc/52/14/20/673521420.db2.gz CHRGFFREGGSZOH-UHFFFAOYSA-N 1 2 355.467 2.044 20 30 FEEDLO C[C@@H]1C[N@H+](CCNC(=O)c2ccc(Br)cc2C#N)[C@@H](C)CO1 ZINC000597996542 673528064 /nfs/dbraw/zinc/52/80/64/673528064.db2.gz QCGNPWORIOOETG-NWDGAFQWSA-N 1 2 366.259 2.160 20 30 FEEDLO C[C@@H]1C[N@@H+](CCNC(=O)c2ccc(Br)cc2C#N)[C@@H](C)CO1 ZINC000597996542 673528065 /nfs/dbraw/zinc/52/80/65/673528065.db2.gz QCGNPWORIOOETG-NWDGAFQWSA-N 1 2 366.259 2.160 20 30 FEEDLO C[N@@H+]1CCO[C@H]([C@H](NC(=O)NCCCC#N)c2ccc(Cl)cc2)C1 ZINC000543335829 673640497 /nfs/dbraw/zinc/64/04/97/673640497.db2.gz KTPVCMYRPLPRNR-JKSUJKDBSA-N 1 2 350.850 2.315 20 30 FEEDLO C[N@H+]1CCO[C@H]([C@H](NC(=O)NCCCC#N)c2ccc(Cl)cc2)C1 ZINC000543335829 673640499 /nfs/dbraw/zinc/64/04/99/673640499.db2.gz KTPVCMYRPLPRNR-JKSUJKDBSA-N 1 2 350.850 2.315 20 30 FEEDLO O=S(=O)(CCc1ccccc1)NN=Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000743448470 673760169 /nfs/dbraw/zinc/76/01/69/673760169.db2.gz QJGIRYXQQVZUFQ-UHFFFAOYSA-N 1 2 354.435 2.368 20 30 FEEDLO COCC[N@H+](C)Cc1cn(Cc2ccc(Br)cc2C#N)nn1 ZINC000603244692 673919535 /nfs/dbraw/zinc/91/95/35/673919535.db2.gz UWIFMAQZCHCWKI-UHFFFAOYSA-N 1 2 364.247 2.039 20 30 FEEDLO COCC[N@@H+](C)Cc1cn(Cc2ccc(Br)cc2C#N)nn1 ZINC000603244692 673919537 /nfs/dbraw/zinc/91/95/37/673919537.db2.gz UWIFMAQZCHCWKI-UHFFFAOYSA-N 1 2 364.247 2.039 20 30 FEEDLO N#C[C@@H](c1ccc(Cl)cc1)N1CC[NH+](CCn2ccccc2=O)CC1 ZINC000619784704 676394659 /nfs/dbraw/zinc/39/46/59/676394659.db2.gz LNDBALZORBDLMR-SFHVURJKSA-N 1 2 356.857 2.384 20 30 FEEDLO C=CCOc1c(Cl)cc(C[N@@H+]2CCC[C@@H]2CS(N)(=O)=O)cc1OC ZINC000628175420 676793483 /nfs/dbraw/zinc/79/34/83/676793483.db2.gz WXDQVYHGYZWNSE-CYBMUJFWSA-N 1 2 374.890 2.166 20 30 FEEDLO C=CCOc1c(Cl)cc(C[N@H+]2CCC[C@@H]2CS(N)(=O)=O)cc1OC ZINC000628175420 676793485 /nfs/dbraw/zinc/79/34/85/676793485.db2.gz WXDQVYHGYZWNSE-CYBMUJFWSA-N 1 2 374.890 2.166 20 30 FEEDLO C=CCOc1c(Cl)cc(C[N@@H+]2CCC[C@H]2CS(N)(=O)=O)cc1OC ZINC000628175421 676793521 /nfs/dbraw/zinc/79/35/21/676793521.db2.gz WXDQVYHGYZWNSE-ZDUSSCGKSA-N 1 2 374.890 2.166 20 30 FEEDLO C=CCOc1c(Cl)cc(C[N@H+]2CCC[C@H]2CS(N)(=O)=O)cc1OC ZINC000628175421 676793523 /nfs/dbraw/zinc/79/35/23/676793523.db2.gz WXDQVYHGYZWNSE-ZDUSSCGKSA-N 1 2 374.890 2.166 20 30 FEEDLO NC(=NOCc1cccc(Cl)n1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000760438759 680687552 /nfs/dbraw/zinc/68/75/52/680687552.db2.gz ZLERSZOVBLKCRA-UHFFFAOYSA-N 1 2 360.845 2.404 20 30 FEEDLO CC#CC[NH2+]Cc1cn([C@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2)nn1 ZINC000640916730 677191674 /nfs/dbraw/zinc/19/16/74/677191674.db2.gz CIZILDBFWQEQTK-UONOGXRCSA-N 1 2 359.861 2.483 20 30 FEEDLO C=CCCn1cc(C[NH2+][C@@H](CO)c2ccc(Br)cc2)nn1 ZINC000653611516 677540026 /nfs/dbraw/zinc/54/00/26/677540026.db2.gz BCPLSMNFGULSCB-HNNXBMFYSA-N 1 2 351.248 2.440 20 30 FEEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)[C@@H]2CCCC[C@@H]2N2CCCC2=O)CC1 ZINC000981367240 680229747 /nfs/dbraw/zinc/22/97/47/680229747.db2.gz NTELIXRFQDUNAR-SJORKVTESA-N 1 2 367.921 2.454 20 30 FEEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)[C@@H]2CCCC[C@@H]2N2CCCC2=O)CC1 ZINC000981367240 680229752 /nfs/dbraw/zinc/22/97/52/680229752.db2.gz NTELIXRFQDUNAR-SJORKVTESA-N 1 2 367.921 2.454 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H]([N@H+](C)Cc2snnc2C)C1 ZINC001027613298 680361663 /nfs/dbraw/zinc/36/16/63/680361663.db2.gz VZFWDJOHOMWNCN-VYDXJSESSA-N 1 2 364.515 2.251 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H]([N@@H+](C)Cc2snnc2C)C1 ZINC001027613298 680361667 /nfs/dbraw/zinc/36/16/67/680361667.db2.gz VZFWDJOHOMWNCN-VYDXJSESSA-N 1 2 364.515 2.251 20 30 FEEDLO C[S@](=O)CC[NH+]1CCN(CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000755949135 680447759 /nfs/dbraw/zinc/44/77/59/680447759.db2.gz GYRDNPZCLDIUOW-DEOSSOPVSA-N 1 2 358.429 2.053 20 30 FEEDLO C#CCN(CCS(=O)(=O)CC[N@H+](CC#C)C1CCCC1)C1CCCC1 ZINC000756910508 680504524 /nfs/dbraw/zinc/50/45/24/680504524.db2.gz DISXITBDTBYVGR-UHFFFAOYSA-N 1 2 364.555 2.157 20 30 FEEDLO C#CCN(CCS(=O)(=O)CC[N@@H+](CC#C)C1CCCC1)C1CCCC1 ZINC000756910508 680504525 /nfs/dbraw/zinc/50/45/25/680504525.db2.gz DISXITBDTBYVGR-UHFFFAOYSA-N 1 2 364.555 2.157 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CC[NH+]([C@@H](C)c2nnc(C)s2)CC1 ZINC001003788166 680542067 /nfs/dbraw/zinc/54/20/67/680542067.db2.gz LJJPPNJRGDZSOF-RCBQFDQVSA-N 1 2 364.515 2.469 20 30 FEEDLO C[N@H+](CCOc1ccc(Br)cc1)Cn1cccc(C#N)c1=O ZINC000758181588 680559718 /nfs/dbraw/zinc/55/97/18/680559718.db2.gz PESVIVACEFHZHO-UHFFFAOYSA-N 1 2 362.227 2.451 20 30 FEEDLO C[N@@H+](CCOc1ccc(Br)cc1)Cn1cccc(C#N)c1=O ZINC000758181588 680559722 /nfs/dbraw/zinc/55/97/22/680559722.db2.gz PESVIVACEFHZHO-UHFFFAOYSA-N 1 2 362.227 2.451 20 30 FEEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@@H](C)[C@H](Nc2nc(N(C)C)nc(C)[nH+]2)C1 ZINC001043345297 680576111 /nfs/dbraw/zinc/57/61/11/680576111.db2.gz KBKGMCCORFGAIL-ZWNOBZJWSA-N 1 2 366.897 2.284 20 30 FEEDLO C#CCCC[NH+]1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000766895216 680891889 /nfs/dbraw/zinc/89/18/89/680891889.db2.gz ATEGEYUGMUOKIE-UHFFFAOYSA-N 1 2 360.401 2.425 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1COCC[N@@H+]1CCc1cccs1 ZINC001051154810 681064432 /nfs/dbraw/zinc/06/44/32/681064432.db2.gz JKVICTBELFRGSO-SZMVWBNQSA-N 1 2 364.511 2.089 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1COCC[N@H+]1CCc1cccs1 ZINC001051154810 681064433 /nfs/dbraw/zinc/06/44/33/681064433.db2.gz JKVICTBELFRGSO-SZMVWBNQSA-N 1 2 364.511 2.089 20 30 FEEDLO CCN1C[C@H](C[NH+]2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)OC1=O ZINC000846885277 681303237 /nfs/dbraw/zinc/30/32/37/681303237.db2.gz OKPMPUSDGOLZBM-DLBZAZTESA-N 1 2 362.861 2.363 20 30 FEEDLO N#CC[C@@H](NC(=O)NCc1cc[nH+]c(N2CCSCC2)c1)C(F)(F)F ZINC000932894693 681323947 /nfs/dbraw/zinc/32/39/47/681323947.db2.gz IKEDEKAFYFVQEH-GFCCVEGCSA-N 1 2 373.404 2.279 20 30 FEEDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)N[C@H](CC#N)C(F)(F)F)CC1 ZINC000932919404 681327979 /nfs/dbraw/zinc/32/79/79/681327979.db2.gz HZBQPBBWVOGTDJ-GXTWGEPZSA-N 1 2 355.364 2.314 20 30 FEEDLO C=C(Cl)C(C)(C)C(=O)N1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000950929684 681718078 /nfs/dbraw/zinc/71/80/78/681718078.db2.gz ZUJHDPRDBGSFRX-BFHYXJOUSA-N 1 2 364.877 2.399 20 30 FEEDLO C=C(Cl)C(C)(C)C(=O)N1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000950929684 681718083 /nfs/dbraw/zinc/71/80/83/681718083.db2.gz ZUJHDPRDBGSFRX-BFHYXJOUSA-N 1 2 364.877 2.399 20 30 FEEDLO C=C(Cl)C(C)(C)C(=O)N1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000950929685 681718277 /nfs/dbraw/zinc/71/82/77/681718277.db2.gz ZUJHDPRDBGSFRX-MGPQQGTHSA-N 1 2 364.877 2.399 20 30 FEEDLO C=C(Cl)C(C)(C)C(=O)N1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000950929685 681718282 /nfs/dbraw/zinc/71/82/82/681718282.db2.gz ZUJHDPRDBGSFRX-MGPQQGTHSA-N 1 2 364.877 2.399 20 30 FEEDLO Cn1cc([C@@H]2CN(C(=O)c3c(Cl)cc(C#N)cc3Cl)CC[NH2+]2)cn1 ZINC000913463875 685477934 /nfs/dbraw/zinc/47/79/34/685477934.db2.gz KEYCJFZWIJHABJ-AWEZNQCLSA-N 1 2 364.236 2.385 20 30 FEEDLO C[C@@H]1CCN(S(=O)(=O)Cc2csc(C#N)c2)C[C@H]1n1cc[nH+]c1 ZINC000914248417 685500780 /nfs/dbraw/zinc/50/07/80/685500780.db2.gz QHFYJSDPFPZZPT-IUODEOHRSA-N 1 2 350.469 2.229 20 30 FEEDLO N#Cc1ccc(CNC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)nc1 ZINC000782030621 682000159 /nfs/dbraw/zinc/00/01/59/682000159.db2.gz SRFCMMZLDJZMBP-GOSISDBHSA-N 1 2 352.463 2.360 20 30 FEEDLO NC(=[NH+]OCC(=O)N1CCCCCC1)c1ccc(Br)cc1 ZINC000782949197 682098010 /nfs/dbraw/zinc/09/80/10/682098010.db2.gz QYVUKZVEPJMNAL-UHFFFAOYSA-N 1 2 354.248 2.489 20 30 FEEDLO C[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC000961795110 682099021 /nfs/dbraw/zinc/09/90/21/682099021.db2.gz GJTDBAPTRIUAGA-GNQXEYABSA-N 1 2 358.869 2.163 20 30 FEEDLO C[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC000961795110 682099027 /nfs/dbraw/zinc/09/90/27/682099027.db2.gz GJTDBAPTRIUAGA-GNQXEYABSA-N 1 2 358.869 2.163 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@H+]1Cc1nnc(C)s1 ZINC000969028516 682253634 /nfs/dbraw/zinc/25/36/34/682253634.db2.gz WKFIPGRFJKBGRV-XHSDSOJGSA-N 1 2 364.515 2.298 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@@H+]1Cc1nnc(C)s1 ZINC000969028516 682253638 /nfs/dbraw/zinc/25/36/38/682253638.db2.gz WKFIPGRFJKBGRV-XHSDSOJGSA-N 1 2 364.515 2.298 20 30 FEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CN(c3ccccn3)C[C@H]2C)C1 ZINC000969689973 682272358 /nfs/dbraw/zinc/27/23/58/682272358.db2.gz NBBNZPDZXIFNRB-FRFSOERESA-N 1 2 362.905 2.343 20 30 FEEDLO C#CCSCCNC(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000785868349 682332915 /nfs/dbraw/zinc/33/29/15/682332915.db2.gz FPWIVZFUNIEGFU-UHFFFAOYSA-N 1 2 351.903 2.364 20 30 FEEDLO C#CCSCCNC(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000785868349 682332916 /nfs/dbraw/zinc/33/29/16/682332916.db2.gz FPWIVZFUNIEGFU-UHFFFAOYSA-N 1 2 351.903 2.364 20 30 FEEDLO C#C[C@H]([NH2+][C@@H](C(N)=O)c1ccc(Br)cc1F)C1CCOCC1 ZINC000853079288 682373627 /nfs/dbraw/zinc/37/36/27/682373627.db2.gz ZDSFHBLGAJDTID-LSDHHAIUSA-N 1 2 369.234 2.133 20 30 FEEDLO COc1ccc(OCC2N=NC(=S)N2N=Cc2c[nH+]c(C)n2C)cc1 ZINC000853271902 682400851 /nfs/dbraw/zinc/40/08/51/682400851.db2.gz GCZFDSOXLGHFSB-UHFFFAOYSA-N 1 2 358.427 2.079 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H]([N@H+](C)CC(=C)Br)C1 ZINC000972528985 682420218 /nfs/dbraw/zinc/42/02/18/682420218.db2.gz FDDIXDBXPWCAAG-KKUMJFAQSA-N 1 2 357.292 2.409 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H]([N@@H+](C)CC(=C)Br)C1 ZINC000972528985 682420220 /nfs/dbraw/zinc/42/02/20/682420220.db2.gz FDDIXDBXPWCAAG-KKUMJFAQSA-N 1 2 357.292 2.409 20 30 FEEDLO CC(=NNCCC[NH+]1CCOCC1)c1cc(Br)c(F)cc1O ZINC000799492869 683460766 /nfs/dbraw/zinc/46/07/66/683460766.db2.gz YTEQILKRVJALJG-UHFFFAOYSA-N 1 2 374.254 2.330 20 30 FEEDLO COc1ccc(CNC(=O)NCc2nc(C[NH+](C)C)cs2)cc1C#N ZINC000921572164 683505299 /nfs/dbraw/zinc/50/52/99/683505299.db2.gz JSZNSXBPZVOORJ-UHFFFAOYSA-N 1 2 359.455 2.084 20 30 FEEDLO COc1cc(CNC(=O)NCc2nc(C[NH+](C)C)cs2)ccc1C#N ZINC000922528548 683741472 /nfs/dbraw/zinc/74/14/72/683741472.db2.gz OANZQTHQILGVEA-UHFFFAOYSA-N 1 2 359.455 2.084 20 30 FEEDLO C#Cc1ccccc1CC(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000870997735 684778640 /nfs/dbraw/zinc/77/86/40/684778640.db2.gz XOGDUKPCDAGXEQ-UHFFFAOYSA-N 1 2 351.475 2.475 20 30 FEEDLO C#CCNC(=O)C1CC[NH+](Cc2nc(Cl)ccc2Br)CC1 ZINC000876633940 686234244 /nfs/dbraw/zinc/23/42/44/686234244.db2.gz IEESYNIVNDHKBJ-UHFFFAOYSA-N 1 2 370.678 2.459 20 30 FEEDLO CNC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC000879337052 686798883 /nfs/dbraw/zinc/79/88/83/686798883.db2.gz OOMMAXXIRVERBO-AWEZNQCLSA-N 1 2 352.385 2.443 20 30 FEEDLO CNC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC000879337052 686798888 /nfs/dbraw/zinc/79/88/88/686798888.db2.gz OOMMAXXIRVERBO-AWEZNQCLSA-N 1 2 352.385 2.443 20 30 FEEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Nc1cc(C#N)c(F)cc1F ZINC000880712722 687077475 /nfs/dbraw/zinc/07/74/75/687077475.db2.gz WJGYRFIMDUDRLE-YPMHNXCESA-N 1 2 350.369 2.163 20 30 FEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCc1cc(Cl)ccc1OC(F)F ZINC000884165978 687805950 /nfs/dbraw/zinc/80/59/50/687805950.db2.gz RRGJAFQJVDQAEO-NSHDSACASA-N 1 2 362.760 2.004 20 30 FEEDLO C#CCN(C(=O)c1cccc(Br)c1O)C1CC[NH+](C)CC1 ZINC000886579008 688279629 /nfs/dbraw/zinc/27/96/29/688279629.db2.gz UJRVUERHSINKFY-UHFFFAOYSA-N 1 2 351.244 2.324 20 30 FEEDLO C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000898810090 690253527 /nfs/dbraw/zinc/25/35/27/690253527.db2.gz IEBCWSMVNIFSNE-VXGBXAGGSA-N 1 2 354.838 2.480 20 30 FEEDLO C/C(=C/C(=O)Nc1nc(C)c(SCC#N)s1)C[NH+]1CCOCC1 ZINC000900479705 690522064 /nfs/dbraw/zinc/52/20/64/690522064.db2.gz DBTJDFVOBMEPFK-LUAWRHEFSA-N 1 2 352.485 2.284 20 30 FEEDLO CC(C)[NH+]1CCN(S(=O)(=O)c2ccc(Br)c(C#N)c2)CC1 ZINC000906829151 691323107 /nfs/dbraw/zinc/32/31/07/691323107.db2.gz SJFDNFZJIUMOLG-UHFFFAOYSA-N 1 2 372.288 2.035 20 30 FEEDLO C[C@@H](C(=O)NCc1cccs1)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000023258884 539710644 /nfs/dbraw/zinc/71/06/44/539710644.db2.gz KGKMZKDBULBTOV-INIZCTEOSA-N 1 2 368.506 2.442 20 30 FEEDLO N#Cc1ccc(OCC(=O)NCc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000024378809 539730745 /nfs/dbraw/zinc/73/07/45/539730745.db2.gz DDJUQFZYZLEDHQ-UHFFFAOYSA-N 1 2 365.433 2.086 20 30 FEEDLO C=CCOc1ccccc1C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000025291636 539754382 /nfs/dbraw/zinc/75/43/82/539754382.db2.gz VQLOANNPTKZSEA-UHFFFAOYSA-N 1 2 353.422 2.413 20 30 FEEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000027542552 539809102 /nfs/dbraw/zinc/80/91/02/539809102.db2.gz NOELUEKPRKVEAG-OAHLLOKOSA-N 1 2 351.878 2.027 20 30 FEEDLO CCOc1ccc(C[NH+]2CCN(CC(=O)N[C@](C)(C#N)C3CC3)CC2)cc1 ZINC000027568179 539810009 /nfs/dbraw/zinc/81/00/09/539810009.db2.gz DIHAJQYRHRPURB-OAQYLSRUSA-N 1 2 370.497 2.011 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCCN(C(=O)c2ccccc2)CC1 ZINC000029707320 539862124 /nfs/dbraw/zinc/86/21/24/539862124.db2.gz ADCFCPYHLJSJCA-DYESRHJHSA-N 1 2 370.497 2.277 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCCN(C(=O)c2ccccc2)CC1 ZINC000029707320 539862127 /nfs/dbraw/zinc/86/21/27/539862127.db2.gz ADCFCPYHLJSJCA-DYESRHJHSA-N 1 2 370.497 2.277 20 30 FEEDLO COc1cccc(N2CC[NH+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC2)c1 ZINC000030963751 539895195 /nfs/dbraw/zinc/89/51/95/539895195.db2.gz WJZOJAKGFVRFOD-OXJNMPFZSA-N 1 2 358.486 2.260 20 30 FEEDLO C[C@H](NC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1)c1ccc(C#N)cc1 ZINC000031169750 539900545 /nfs/dbraw/zinc/90/05/45/539900545.db2.gz XMURDRXVENCTPL-HNAYVOBHSA-N 1 2 374.510 2.126 20 30 FEEDLO Cc1cc(C[NH+]2CCN(C(=O)/C=C/c3ccc(OCC#N)cc3)CC2)on1 ZINC000032756732 539951094 /nfs/dbraw/zinc/95/10/94/539951094.db2.gz YSZKJIXHYMFCDI-QPJJXVBHSA-N 1 2 366.421 2.243 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)CC(=O)NC(C)C)c1 ZINC000042503222 540064001 /nfs/dbraw/zinc/06/40/01/540064001.db2.gz OQWWQAYLKMNGTE-QGZVFWFLSA-N 1 2 358.486 2.395 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+](C)CC(=O)NC(C)C)c1 ZINC000042503222 540064004 /nfs/dbraw/zinc/06/40/04/540064004.db2.gz OQWWQAYLKMNGTE-QGZVFWFLSA-N 1 2 358.486 2.395 20 30 FEEDLO C[N@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)Cc1ccc(C#N)cc1 ZINC000046527629 540261313 /nfs/dbraw/zinc/26/13/13/540261313.db2.gz FXALHDOFHBCNRN-UHFFFAOYSA-N 1 2 368.349 2.266 20 30 FEEDLO C[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)Cc1ccc(C#N)cc1 ZINC000046527629 540261315 /nfs/dbraw/zinc/26/13/15/540261315.db2.gz FXALHDOFHBCNRN-UHFFFAOYSA-N 1 2 368.349 2.266 20 30 FEEDLO COc1cc(C#N)ccc1OCC(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000047456610 540312179 /nfs/dbraw/zinc/31/21/79/540312179.db2.gz YHMVQZBEEZDSNF-UHFFFAOYSA-N 1 2 366.421 2.257 20 30 FEEDLO C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000047858871 540331152 /nfs/dbraw/zinc/33/11/52/540331152.db2.gz HOJXFERIUJDGPT-BRWVUGGUSA-N 1 2 355.486 2.253 20 30 FEEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN([C@@H](C)c2nc(-c3ccccc3)no2)CC1 ZINC000052775763 540488548 /nfs/dbraw/zinc/48/85/48/540488548.db2.gz GDPWHYYHEYIGEM-HOTGVXAUSA-N 1 2 369.469 2.106 20 30 FEEDLO C=CCNC(=O)C[NH+]1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000053601554 540545416 /nfs/dbraw/zinc/54/54/16/540545416.db2.gz SMGCXKIKFHEIDE-UHFFFAOYSA-N 1 2 370.266 2.008 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H]2C(=O)NC2CC2)c1 ZINC000054985388 540619941 /nfs/dbraw/zinc/61/99/41/540619941.db2.gz ZXXBUFMTIUIRPN-LJQANCHMSA-N 1 2 368.481 2.293 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H]2C(=O)NC2CC2)c1 ZINC000054985388 540619943 /nfs/dbraw/zinc/61/99/43/540619943.db2.gz ZXXBUFMTIUIRPN-LJQANCHMSA-N 1 2 368.481 2.293 20 30 FEEDLO N#Cc1cccnc1N1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000055741128 540673866 /nfs/dbraw/zinc/67/38/66/540673866.db2.gz WDMLFOHKTRQWCT-UHFFFAOYSA-N 1 2 372.432 2.491 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)COc1ccc2ccccc2c1 ZINC000060634007 541119816 /nfs/dbraw/zinc/11/98/16/541119816.db2.gz IWZULBJYSQRPNV-UHFFFAOYSA-N 1 2 367.449 2.293 20 30 FEEDLO Cc1cc(Cl)ccc1OCC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000060633970 541119874 /nfs/dbraw/zinc/11/98/74/541119874.db2.gz ZZQLYBLHHCLJRR-UHFFFAOYSA-N 1 2 365.861 2.102 20 30 FEEDLO Cc1cccc(OCCCC(=O)N(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000060634161 541119709 /nfs/dbraw/zinc/11/97/09/541119709.db2.gz KWBKSOBYYGPOOC-UHFFFAOYSA-N 1 2 359.470 2.229 20 30 FEEDLO Cc1oc(NC(=O)[C@@H](C)N2CC[NH+](Cc3ccccn3)CC2)c(C#N)c1C ZINC000063483477 541170408 /nfs/dbraw/zinc/17/04/08/541170408.db2.gz JDKBFSCOMDJIES-OAHLLOKOSA-N 1 2 367.453 2.308 20 30 FEEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000066437768 541318668 /nfs/dbraw/zinc/31/86/68/541318668.db2.gz QCSJSAUIEXTULX-INIZCTEOSA-N 1 2 374.448 2.364 20 30 FEEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000066437768 541318674 /nfs/dbraw/zinc/31/86/74/541318674.db2.gz QCSJSAUIEXTULX-INIZCTEOSA-N 1 2 374.448 2.364 20 30 FEEDLO C=CC[N@H+](CCCc1nc(-c2cccs2)no1)[C@@H]1CCS(=O)(=O)C1 ZINC000066559663 541335358 /nfs/dbraw/zinc/33/53/58/541335358.db2.gz SHXSBTXWHXLBSE-CYBMUJFWSA-N 1 2 367.496 2.406 20 30 FEEDLO C=CC[N@@H+](CCCc1nc(-c2cccs2)no1)[C@@H]1CCS(=O)(=O)C1 ZINC000066559663 541335360 /nfs/dbraw/zinc/33/53/60/541335360.db2.gz SHXSBTXWHXLBSE-CYBMUJFWSA-N 1 2 367.496 2.406 20 30 FEEDLO CN(Cc1cccs1)C(=O)C[N@@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000067459973 541467108 /nfs/dbraw/zinc/46/71/08/541467108.db2.gz OTVZHDYOKXWIQT-UHFFFAOYSA-N 1 2 369.494 2.185 20 30 FEEDLO CN(Cc1cccs1)C(=O)C[N@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000067459973 541467113 /nfs/dbraw/zinc/46/71/13/541467113.db2.gz OTVZHDYOKXWIQT-UHFFFAOYSA-N 1 2 369.494 2.185 20 30 FEEDLO C=C(C)COc1cccc(NC(=O)C(=O)NCCCCn2cc[nH+]c2)c1 ZINC000067533641 541476714 /nfs/dbraw/zinc/47/67/14/541476714.db2.gz FTUVXTMYJSNNDD-UHFFFAOYSA-N 1 2 356.426 2.373 20 30 FEEDLO C=CCOc1cccc(NC(=O)C(=O)NCc2cn3c(cccc3C)[nH+]2)c1 ZINC000069562589 541697399 /nfs/dbraw/zinc/69/73/99/541697399.db2.gz KXUOPFTUDVPJHU-UHFFFAOYSA-N 1 2 364.405 2.462 20 30 FEEDLO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000076820969 542323920 /nfs/dbraw/zinc/32/39/20/542323920.db2.gz GLUUSEYVGJIXSV-VXEWELBQSA-N 1 2 353.875 2.382 20 30 FEEDLO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000076820969 542323924 /nfs/dbraw/zinc/32/39/24/542323924.db2.gz GLUUSEYVGJIXSV-VXEWELBQSA-N 1 2 353.875 2.382 20 30 FEEDLO Cn1c(Nc2cccc([NH+]3CCCCCC3)c2)c(C#N)c(=O)n(C)c1=O ZINC000077235399 542357544 /nfs/dbraw/zinc/35/75/44/542357544.db2.gz LJLGXHFSGBLBLS-UHFFFAOYSA-N 1 2 353.426 2.080 20 30 FEEDLO COc1cc(C#N)ccc1OCCn1c2ccccc2[nH+]c1NCCO ZINC000077238347 542358063 /nfs/dbraw/zinc/35/80/63/542358063.db2.gz KCRXGDFGUGZFSC-UHFFFAOYSA-N 1 2 352.394 2.400 20 30 FEEDLO CS(=O)(=O)N(Cc1cn2c([nH+]1)CCCC2)Cc1ccc(C#N)cc1F ZINC000328635126 533379758 /nfs/dbraw/zinc/37/97/58/533379758.db2.gz UNHJSHHEOQFJIB-UHFFFAOYSA-N 1 2 362.430 2.192 20 30 FEEDLO Cc1cccn2cc(CCNS(=O)(=O)c3ccc(C#N)cc3C)[nH+]c12 ZINC000080787231 542608697 /nfs/dbraw/zinc/60/86/97/542608697.db2.gz HVSZUFRAEAUWCE-UHFFFAOYSA-N 1 2 354.435 2.344 20 30 FEEDLO C=CCCO[C@H](C)C(=O)N1CC[NH+](Cc2cc(OC)cc(OC)c2)CC1 ZINC000081018702 542624592 /nfs/dbraw/zinc/62/45/92/542624592.db2.gz OOXOBLRPPFISDG-MRXNPFEDSA-N 1 2 362.470 2.329 20 30 FEEDLO N#CCC[N@@H+](CC(=O)NCCc1cnn(-c2ccccc2)c1)CC1CC1 ZINC000081062216 542628101 /nfs/dbraw/zinc/62/81/01/542628101.db2.gz BKCCGWFRAHPKJF-UHFFFAOYSA-N 1 2 351.454 2.157 20 30 FEEDLO N#CCC[N@H+](CC(=O)NCCc1cnn(-c2ccccc2)c1)CC1CC1 ZINC000081062216 542628106 /nfs/dbraw/zinc/62/81/06/542628106.db2.gz BKCCGWFRAHPKJF-UHFFFAOYSA-N 1 2 351.454 2.157 20 30 FEEDLO COc1cccc(C(N)=[NH+]OCC(=O)Nc2ccnn2C2CCCC2)c1 ZINC000085264951 542724509 /nfs/dbraw/zinc/72/45/09/542724509.db2.gz BBGWCDIUKRQCAJ-UHFFFAOYSA-N 1 2 357.414 2.282 20 30 FEEDLO Cc1nc(CC(N)=[NH+]OCC(=O)Nc2ccnn2C2CCCC2)cs1 ZINC000085260919 542724757 /nfs/dbraw/zinc/72/47/57/542724757.db2.gz BOBCZBCUNIJHAY-UHFFFAOYSA-N 1 2 362.459 2.233 20 30 FEEDLO CS(=O)(=O)C[C@@H]([NH2+]Cc1cnc2ccc(C#N)cn12)c1ccccc1 ZINC000551802649 674163896 /nfs/dbraw/zinc/16/38/96/674163896.db2.gz KRZNRWGBINTYLX-QGZVFWFLSA-N 1 2 354.435 2.081 20 30 FEEDLO COc1cc(OC)cc(N2CC[C@H]([N@H+](C)Cc3ccc(C#N)o3)C2=O)c1 ZINC000093840837 542942340 /nfs/dbraw/zinc/94/23/40/542942340.db2.gz FJYGZODUYYMCFU-SFHVURJKSA-N 1 2 355.394 2.406 20 30 FEEDLO COc1cc(OC)cc(N2CC[C@H]([N@@H+](C)Cc3ccc(C#N)o3)C2=O)c1 ZINC000093840837 542942343 /nfs/dbraw/zinc/94/23/43/542942343.db2.gz FJYGZODUYYMCFU-SFHVURJKSA-N 1 2 355.394 2.406 20 30 FEEDLO Cc1nc(C2([NH2+]CC(=O)N(CCC#N)CCC#N)CCCCCC2)no1 ZINC000101546051 543030820 /nfs/dbraw/zinc/03/08/20/543030820.db2.gz ZYAPRGCHAUJNGD-UHFFFAOYSA-N 1 2 358.446 2.173 20 30 FEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000101567062 543034401 /nfs/dbraw/zinc/03/44/01/543034401.db2.gz IUIPAMZKRHCRJU-KRWDZBQOSA-N 1 2 372.469 2.201 20 30 FEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000101567062 543034403 /nfs/dbraw/zinc/03/44/03/543034403.db2.gz IUIPAMZKRHCRJU-KRWDZBQOSA-N 1 2 372.469 2.201 20 30 FEEDLO C[C@@H](C(=O)NCC(F)(F)F)[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000104963363 543153231 /nfs/dbraw/zinc/15/32/31/543153231.db2.gz XXLYZUKRWXSYOG-LBPRGKRZSA-N 1 2 355.360 2.468 20 30 FEEDLO C=CCN1C(=O)c2ccc(C(=O)NCc3cn4cccc(C)c4[nH+]3)cc2C1=O ZINC000110800992 543368888 /nfs/dbraw/zinc/36/88/88/543368888.db2.gz XZEPNLGYUIYNTB-UHFFFAOYSA-N 1 2 374.400 2.355 20 30 FEEDLO N#Cc1ccc([C@@H](C(N)=O)[NH+]2CCC(C(=O)c3ccc(O)cc3)CC2)cc1 ZINC000115533961 543571328 /nfs/dbraw/zinc/57/13/28/543571328.db2.gz MCJSBEBKKYGDJJ-IBGZPJMESA-N 1 2 363.417 2.385 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000116185116 543602887 /nfs/dbraw/zinc/60/28/87/543602887.db2.gz KDRIAFKKQLTOIT-GJZGRUSLSA-N 1 2 363.408 2.143 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000116185119 543603251 /nfs/dbraw/zinc/60/32/51/543603251.db2.gz KDRIAFKKQLTOIT-LSDHHAIUSA-N 1 2 363.408 2.143 20 30 FEEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000117350656 543629708 /nfs/dbraw/zinc/62/97/08/543629708.db2.gz ULNPOQLDSPEDEI-MRVPVSSYSA-N 1 2 361.286 2.203 20 30 FEEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000117350656 543629710 /nfs/dbraw/zinc/62/97/10/543629710.db2.gz ULNPOQLDSPEDEI-MRVPVSSYSA-N 1 2 361.286 2.203 20 30 FEEDLO Cc1cc(F)cc2[nH]c(C(=O)N(CCC#N)CC[NH+]3CCOCC3)cc21 ZINC000116741428 543614496 /nfs/dbraw/zinc/61/44/96/543614496.db2.gz VPGHYTJJKPNQJU-UHFFFAOYSA-N 1 2 358.417 2.304 20 30 FEEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000118835771 543660406 /nfs/dbraw/zinc/66/04/06/543660406.db2.gz YULGRTQNUAPSGO-QZTJIDSGSA-N 1 2 369.513 2.491 20 30 FEEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CCC[C@](C)(O)C2)c1C#N ZINC000124770137 543841678 /nfs/dbraw/zinc/84/16/78/543841678.db2.gz PNYYAQFTAHPPCE-FQEVSTJZSA-N 1 2 370.453 2.403 20 30 FEEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CCC[C@](C)(O)C2)c1C#N ZINC000124770137 543841681 /nfs/dbraw/zinc/84/16/81/543841681.db2.gz PNYYAQFTAHPPCE-FQEVSTJZSA-N 1 2 370.453 2.403 20 30 FEEDLO Cc1oc(NC(=O)[C@H](C)N2CC[NH+](Cc3cccnc3)CC2)c(C#N)c1C ZINC000125181609 543865844 /nfs/dbraw/zinc/86/58/44/543865844.db2.gz YFFNHEJMZUIZME-HNNXBMFYSA-N 1 2 367.453 2.308 20 30 FEEDLO C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H]1n1cc[nH+]c1 ZINC000126599399 543946037 /nfs/dbraw/zinc/94/60/37/543946037.db2.gz OCPLCRKKZGWCTI-MLGOLLRUSA-N 1 2 371.828 2.456 20 30 FEEDLO CC[C@](C)(C#N)NC(=O)c1ccc(S(=O)(=O)Nc2cc[nH+]cc2)cc1 ZINC000127235451 543979723 /nfs/dbraw/zinc/97/97/23/543979723.db2.gz NDZJTLOZPQTADH-QGZVFWFLSA-N 1 2 358.423 2.304 20 30 FEEDLO C[N@@H+]1CCO[C@H]([C@H](NC(=O)c2ccc(C#N)[nH]2)c2ccc(Cl)cc2)C1 ZINC000126990026 543967194 /nfs/dbraw/zinc/96/71/94/543967194.db2.gz DWLFSUQSEOEUOA-DLBZAZTESA-N 1 2 358.829 2.341 20 30 FEEDLO C[N@H+]1CCO[C@H]([C@H](NC(=O)c2ccc(C#N)[nH]2)c2ccc(Cl)cc2)C1 ZINC000126990026 543967196 /nfs/dbraw/zinc/96/71/96/543967196.db2.gz DWLFSUQSEOEUOA-DLBZAZTESA-N 1 2 358.829 2.341 20 30 FEEDLO CCCOc1ccc(/C=[NH+]/C[C@@H]2CCC[C@@H]2NS(C)(=O)=O)c(O)c1 ZINC000129370914 544108406 /nfs/dbraw/zinc/10/84/06/544108406.db2.gz IPVRNEBLJFEVPW-LFGMUVATSA-N 1 2 354.472 2.318 20 30 FEEDLO C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)Nc1cccc(C#N)c1 ZINC000130623039 544158389 /nfs/dbraw/zinc/15/83/89/544158389.db2.gz YLNULIOMIGWAKP-INIZCTEOSA-N 1 2 362.433 2.230 20 30 FEEDLO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)Nc1cccc(C#N)c1 ZINC000130623039 544158393 /nfs/dbraw/zinc/15/83/93/544158393.db2.gz YLNULIOMIGWAKP-INIZCTEOSA-N 1 2 362.433 2.230 20 30 FEEDLO Cc1cc(N(CCC#N)C(=O)C[N@@H+](CC(N)=O)C(C)C)ccc1Cl ZINC000096994436 222148483 /nfs/dbraw/zinc/14/84/83/222148483.db2.gz IGCZWTSMIPGJQT-UHFFFAOYSA-N 1 2 350.850 2.091 20 30 FEEDLO Cc1cc(N(CCC#N)C(=O)C[N@H+](CC(N)=O)C(C)C)ccc1Cl ZINC000096994436 222148485 /nfs/dbraw/zinc/14/84/85/222148485.db2.gz IGCZWTSMIPGJQT-UHFFFAOYSA-N 1 2 350.850 2.091 20 30 FEEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCOC[C@H]2C2CC2)cc1 ZINC000132400377 544229608 /nfs/dbraw/zinc/22/96/08/544229608.db2.gz WOBYWAVBTSGDQL-IBGZPJMESA-N 1 2 357.454 2.443 20 30 FEEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CCOC[C@H]2C2CC2)cc1 ZINC000132400377 544229610 /nfs/dbraw/zinc/22/96/10/544229610.db2.gz WOBYWAVBTSGDQL-IBGZPJMESA-N 1 2 357.454 2.443 20 30 FEEDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C#Cc2ccc3c(c2)OCO3)CC1 ZINC000136281198 544370360 /nfs/dbraw/zinc/37/03/60/544370360.db2.gz VDDTXNITXXWSES-MRXNPFEDSA-N 1 2 363.417 2.067 20 30 FEEDLO CC[N@@H+](CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)C[C@@H](C)C#N ZINC000140413708 544408502 /nfs/dbraw/zinc/40/85/02/544408502.db2.gz FUVYPCYCDJSDOL-INIZCTEOSA-N 1 2 356.470 2.345 20 30 FEEDLO CC[N@H+](CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)C[C@@H](C)C#N ZINC000140413708 544408503 /nfs/dbraw/zinc/40/85/03/544408503.db2.gz FUVYPCYCDJSDOL-INIZCTEOSA-N 1 2 356.470 2.345 20 30 FEEDLO N#Cc1cc(S(=O)(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)ccc1Cl ZINC000151154344 544510403 /nfs/dbraw/zinc/51/04/03/544510403.db2.gz YOIGGQBWOYTQMD-CQSZACIVSA-N 1 2 363.826 2.449 20 30 FEEDLO CC[C@H]1C[N@@H+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)CCN1CC(F)F ZINC000153663260 544805382 /nfs/dbraw/zinc/80/53/82/544805382.db2.gz MZNVYKBUUBJZIL-GJZGRUSLSA-N 1 2 356.461 2.379 20 30 FEEDLO CC[C@H]1C[N@H+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)CCN1CC(F)F ZINC000153663260 544805385 /nfs/dbraw/zinc/80/53/85/544805385.db2.gz MZNVYKBUUBJZIL-GJZGRUSLSA-N 1 2 356.461 2.379 20 30 FEEDLO N#Cc1ccc(N2CC[NH+](CCOCC(F)(F)C(F)(F)F)CC2)nc1 ZINC000188865120 328115055 /nfs/dbraw/zinc/11/50/55/328115055.db2.gz XWJPLLPEEUMRHJ-UHFFFAOYSA-N 1 2 364.318 2.289 20 30 FEEDLO N#Cc1ccc(N2CC[NH+](CC(=O)N3CCC[C@H]4CCCC[C@@H]43)CC2)nc1 ZINC000193771849 328394468 /nfs/dbraw/zinc/39/44/68/328394468.db2.gz JVWLGSYOURJOQK-MOPGFXCFSA-N 1 2 367.497 2.256 20 30 FEEDLO CCOC1CC(CNc2ncc(C#N)cc2Cl)([NH+]2CCOCC2)C1 ZINC000195315782 328470796 /nfs/dbraw/zinc/47/07/96/328470796.db2.gz NWMDENLTHQPJMN-UHFFFAOYSA-N 1 2 350.850 2.288 20 30 FEEDLO CC[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000027106597 324430870 /nfs/dbraw/zinc/43/08/70/324430870.db2.gz KPEYOWUDEQZJBR-ZIAGYGMSSA-N 1 2 371.441 2.231 20 30 FEEDLO Cc1cc(C#N)ccc1S(=O)(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000077372646 324988996 /nfs/dbraw/zinc/98/89/96/324988996.db2.gz YYMNEOJPANFWFH-UHFFFAOYSA-N 1 2 355.463 2.373 20 30 FEEDLO Cc1oc(NC(=O)CN2CC[NH+](Cc3cccc(O)c3)CC2)c(C#N)c1C ZINC000081010840 325153247 /nfs/dbraw/zinc/15/32/47/325153247.db2.gz HHXZZDNFLUUOGO-UHFFFAOYSA-N 1 2 368.437 2.230 20 30 FEEDLO N#Cc1cccc(NC(=O)CN2CC[NH+](Cc3cccc(O)c3)CC2)c1 ZINC000081010711 325153688 /nfs/dbraw/zinc/15/36/88/325153688.db2.gz FXSUFHKRIRSHBV-UHFFFAOYSA-N 1 2 350.422 2.020 20 30 FEEDLO N#Cc1ccc(F)c(CS(=O)(=O)NCc2ccc(N3CCCC3)[nH+]c2)c1 ZINC000120649010 326275970 /nfs/dbraw/zinc/27/59/70/326275970.db2.gz IVKUIZKOYVJTEE-UHFFFAOYSA-N 1 2 374.441 2.312 20 30 FEEDLO N#Cc1ccc(NC(=O)C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1Cl ZINC000121565572 326348267 /nfs/dbraw/zinc/34/82/67/326348267.db2.gz KZVLEEMXWFEWQK-OAHLLOKOSA-N 1 2 370.796 2.225 20 30 FEEDLO Cn1cc[nH+]c1C[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2C#N)C1 ZINC000122113070 326384249 /nfs/dbraw/zinc/38/42/49/326384249.db2.gz FJKJHOVGRLFCAK-ZDUSSCGKSA-N 1 2 362.430 2.074 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1Cl ZINC000151154878 326675976 /nfs/dbraw/zinc/67/59/76/326675976.db2.gz PTBPRGWRZVHCDP-CQSZACIVSA-N 1 2 363.826 2.449 20 30 FEEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000163023964 327040740 /nfs/dbraw/zinc/04/07/40/327040740.db2.gz FSURLUCUYWMQRI-UKRRQHHQSA-N 1 2 358.467 2.034 20 30 FEEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000163023964 327040742 /nfs/dbraw/zinc/04/07/42/327040742.db2.gz FSURLUCUYWMQRI-UKRRQHHQSA-N 1 2 358.467 2.034 20 30 FEEDLO COc1ccccc1[C@@H]1C[NH2+]CCN1S(=O)(=O)c1cc(C#N)ccc1C ZINC000261841358 328823590 /nfs/dbraw/zinc/82/35/90/328823590.db2.gz PDRMUOULBJWNJC-KRWDZBQOSA-N 1 2 371.462 2.211 20 30 FEEDLO CCN1CC[NH+]([C@H]2CCN(C(=O)N[C@H](C)c3ccc(C#N)cc3)C2)CC1 ZINC000264370356 329015376 /nfs/dbraw/zinc/01/53/76/329015376.db2.gz GKODIRJTFYIGBB-APWZRJJASA-N 1 2 355.486 2.041 20 30 FEEDLO CC1(C)[C@H](NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)[C@H]2CCO[C@@H]21 ZINC000265983663 329179178 /nfs/dbraw/zinc/17/91/78/329179178.db2.gz PBCBUVPVAWDYDI-QRVBRYPASA-N 1 2 368.481 2.199 20 30 FEEDLO CN(C(=O)OC(C)(C)C)[C@H]1CC[N@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000267414064 329324830 /nfs/dbraw/zinc/32/48/30/329324830.db2.gz LCVMWNHSQLBWMG-KRWDZBQOSA-N 1 2 372.469 2.116 20 30 FEEDLO CN(C(=O)OC(C)(C)C)[C@H]1CC[N@@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000267414064 329324831 /nfs/dbraw/zinc/32/48/31/329324831.db2.gz LCVMWNHSQLBWMG-KRWDZBQOSA-N 1 2 372.469 2.116 20 30 FEEDLO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CCCN(c3nccs3)CC2)C1=O ZINC000267565246 329338936 /nfs/dbraw/zinc/33/89/36/329338936.db2.gz BTPZOPMGRGCIKG-CQSZACIVSA-N 1 2 373.507 2.394 20 30 FEEDLO N#Cc1ccsc1N1CC[C@@H]([N@H+]2CCCN(c3nccs3)CC2)C1=O ZINC000267565246 329338937 /nfs/dbraw/zinc/33/89/37/329338937.db2.gz BTPZOPMGRGCIKG-CQSZACIVSA-N 1 2 373.507 2.394 20 30 FEEDLO CC1(CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCOCC1 ZINC000267822971 329360888 /nfs/dbraw/zinc/36/08/88/329360888.db2.gz HNMIUNTZHYHDBW-UHFFFAOYSA-N 1 2 356.470 2.202 20 30 FEEDLO COc1ccc(C[N@@H+]2CCC[C@@H]2C(=O)NCC2CCOCC2)cc1C#N ZINC000367244116 330235281 /nfs/dbraw/zinc/23/52/81/330235281.db2.gz OHMSJYHMSVXSDY-GOSISDBHSA-N 1 2 357.454 2.074 20 30 FEEDLO COc1ccc(C[N@H+]2CCC[C@@H]2C(=O)NCC2CCOCC2)cc1C#N ZINC000367244116 330235283 /nfs/dbraw/zinc/23/52/83/330235283.db2.gz OHMSJYHMSVXSDY-GOSISDBHSA-N 1 2 357.454 2.074 20 30 FEEDLO C=CCSc1ccccc1NC(=O)COC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC000805477407 674339379 /nfs/dbraw/zinc/33/93/79/674339379.db2.gz JRFKAWPPXHPYPM-HNNXBMFYSA-N 1 2 364.467 2.167 20 30 FEEDLO C=CCSc1ccccc1NC(=O)COC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC000805477407 674339380 /nfs/dbraw/zinc/33/93/80/674339380.db2.gz JRFKAWPPXHPYPM-HNNXBMFYSA-N 1 2 364.467 2.167 20 30 FEEDLO Cc1cc(Cl)c2ncc(C#N)c(NCCC[N@@H+]3CCNC(=O)C3)c2c1 ZINC000554936770 674342425 /nfs/dbraw/zinc/34/24/25/674342425.db2.gz UTWUUSYROTXLRB-UHFFFAOYSA-N 1 2 357.845 2.302 20 30 FEEDLO Cc1cc(Cl)c2ncc(C#N)c(NCCC[N@H+]3CCNC(=O)C3)c2c1 ZINC000554936770 674342427 /nfs/dbraw/zinc/34/24/27/674342427.db2.gz UTWUUSYROTXLRB-UHFFFAOYSA-N 1 2 357.845 2.302 20 30 FEEDLO CCN(C[C@@H](C)C#N)C(=O)CN1CCC[C@@H]1c1[nH+]c2c(n1C)CCCC2 ZINC000275988324 521187583 /nfs/dbraw/zinc/18/75/83/521187583.db2.gz OQGQCRXPNQZKEH-MAUKXSAKSA-N 1 2 357.502 2.444 20 30 FEEDLO COc1cc(F)c(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1F ZINC000156155050 545603616 /nfs/dbraw/zinc/60/36/16/545603616.db2.gz OZUTXHZBPDUQNR-UHFFFAOYSA-N 1 2 368.384 2.053 20 30 FEEDLO Cc1nc(C[N@@H+](C)[C@@H]2CCCN(C(=O)Cc3ccc(C#N)cc3)CC2)no1 ZINC000478378505 561165412 /nfs/dbraw/zinc/16/54/12/561165412.db2.gz NIBVIFUPSWWLOF-GOSISDBHSA-N 1 2 367.453 2.305 20 30 FEEDLO Cc1nc(C[N@H+](C)[C@@H]2CCCN(C(=O)Cc3ccc(C#N)cc3)CC2)no1 ZINC000478378505 561165413 /nfs/dbraw/zinc/16/54/13/561165413.db2.gz NIBVIFUPSWWLOF-GOSISDBHSA-N 1 2 367.453 2.305 20 30 FEEDLO CCc1ccc(C[NH+]2CCN(S(=O)(=O)CCCCC#N)CC2)s1 ZINC000159582031 545964636 /nfs/dbraw/zinc/96/46/36/545964636.db2.gz FBVZFBJVTAGHCV-UHFFFAOYSA-N 1 2 355.529 2.452 20 30 FEEDLO C[C@H](SCC[NH+]1CCOCC1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000159784889 545980475 /nfs/dbraw/zinc/98/04/75/545980475.db2.gz KORSEZYMIHFDLC-PQUAAJSLSA-N 1 2 353.532 2.371 20 30 FEEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(NC(=O)c2ccoc2)CC1 ZINC000166399329 546156175 /nfs/dbraw/zinc/15/61/75/546156175.db2.gz VIPBBDTYUDHTCH-CQSZACIVSA-N 1 2 366.421 2.373 20 30 FEEDLO Cc1cc(C)c(NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)c(C)[nH+]1 ZINC000170822568 546178817 /nfs/dbraw/zinc/17/88/17/546178817.db2.gz HHNAVGOTMDMSSD-UHFFFAOYSA-N 1 2 372.450 2.451 20 30 FEEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(SC(C)C)cc2)CC1 ZINC000170899122 546181920 /nfs/dbraw/zinc/18/19/20/546181920.db2.gz MHTSLCWVWYODEN-UHFFFAOYSA-N 1 2 373.522 2.084 20 30 FEEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(SC(C)C)cc2)CC1 ZINC000170899122 546181923 /nfs/dbraw/zinc/18/19/23/546181923.db2.gz MHTSLCWVWYODEN-UHFFFAOYSA-N 1 2 373.522 2.084 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@H]1C[C@]12CCCc1ccccc12 ZINC000174686343 546302254 /nfs/dbraw/zinc/30/22/54/546302254.db2.gz OFDBCODNHPOBAW-IRLDBZIGSA-N 1 2 367.493 2.355 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1 ZINC000175164607 546307133 /nfs/dbraw/zinc/30/71/33/546307133.db2.gz KOXRFIFOLRCUPY-NQIIRXRSSA-N 1 2 370.497 2.325 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1 ZINC000175164607 546307136 /nfs/dbraw/zinc/30/71/36/546307136.db2.gz KOXRFIFOLRCUPY-NQIIRXRSSA-N 1 2 370.497 2.325 20 30 FEEDLO Cn1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CNc2cc(C#N)ccc2[N+](=O)[O-])cn1 ZINC000480231945 561205454 /nfs/dbraw/zinc/20/54/54/561205454.db2.gz WRGJUOQGRZOXPB-GJZGRUSLSA-N 1 2 358.377 2.224 20 30 FEEDLO Cn1cc(C[N@H+]2C[C@@H](F)C[C@H]2CNc2cc(C#N)ccc2[N+](=O)[O-])cn1 ZINC000480231945 561205455 /nfs/dbraw/zinc/20/54/55/561205455.db2.gz WRGJUOQGRZOXPB-GJZGRUSLSA-N 1 2 358.377 2.224 20 30 FEEDLO CC(=O)c1ccccc1OCC[N@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000176372670 546437912 /nfs/dbraw/zinc/43/79/12/546437912.db2.gz KKXNBXQSHDSCMA-HNNXBMFYSA-N 1 2 365.437 2.140 20 30 FEEDLO CC(=O)c1ccccc1OCC[N@@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000176372670 546437914 /nfs/dbraw/zinc/43/79/14/546437914.db2.gz KKXNBXQSHDSCMA-HNNXBMFYSA-N 1 2 365.437 2.140 20 30 FEEDLO COCCC[N@H+](CC#Cc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000177153661 546557600 /nfs/dbraw/zinc/55/76/00/546557600.db2.gz PXZGRWJOHKIAQS-KRWDZBQOSA-N 1 2 355.887 2.217 20 30 FEEDLO COCCC[N@@H+](CC#Cc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000177153661 546557603 /nfs/dbraw/zinc/55/76/03/546557603.db2.gz PXZGRWJOHKIAQS-KRWDZBQOSA-N 1 2 355.887 2.217 20 30 FEEDLO CCC(C)(C)NC(=O)[C@@H](C)O[NH+]=C(N)c1ccc(N2CCCCC2)nc1 ZINC000178149703 546746870 /nfs/dbraw/zinc/74/68/70/546746870.db2.gz WCLPWCJJTUDSHD-CQSZACIVSA-N 1 2 361.490 2.402 20 30 FEEDLO N#CC1(NC(=O)C[N@@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)CCCCC1 ZINC000179513539 546969839 /nfs/dbraw/zinc/96/98/39/546969839.db2.gz URPJCZDUKHILDP-HNNXBMFYSA-N 1 2 356.474 2.204 20 30 FEEDLO N#CC1(NC(=O)C[N@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)CCCCC1 ZINC000179513539 546969845 /nfs/dbraw/zinc/96/98/45/546969845.db2.gz URPJCZDUKHILDP-HNNXBMFYSA-N 1 2 356.474 2.204 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCC(NS(=O)(=O)c3cccs3)CC2)o1 ZINC000179872165 547023005 /nfs/dbraw/zinc/02/30/05/547023005.db2.gz YJRUJSCQBDNYIJ-UHFFFAOYSA-N 1 2 351.453 2.156 20 30 FEEDLO Cc1c(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)cccc1N(C)C ZINC000180103528 547052643 /nfs/dbraw/zinc/05/26/43/547052643.db2.gz LVKVANQOUGCYBX-UHFFFAOYSA-N 1 2 359.474 2.141 20 30 FEEDLO Cc1cccc(CC2(O)CC[NH+]([C@H](C(N)=O)c3ccc(C#N)cc3)CC2)c1 ZINC000482949179 561263663 /nfs/dbraw/zinc/26/36/63/561263663.db2.gz OUABWJBPEQXCGG-FQEVSTJZSA-N 1 2 363.461 2.463 20 30 FEEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H](c3nncn3C3CC3)C2)cc1 ZINC000180869764 547198769 /nfs/dbraw/zinc/19/87/69/547198769.db2.gz IXOIMENVXOFRNO-HNNXBMFYSA-N 1 2 350.426 2.303 20 30 FEEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@H](c3nncn3C3CC3)C2)cc1 ZINC000180869764 547198773 /nfs/dbraw/zinc/19/87/73/547198773.db2.gz IXOIMENVXOFRNO-HNNXBMFYSA-N 1 2 350.426 2.303 20 30 FEEDLO COC(C[N@H+](CCCO)Cc1ccc(C#N)cc1Br)OC ZINC000183660059 547697457 /nfs/dbraw/zinc/69/74/57/547697457.db2.gz TXGGQZCFXKANGS-UHFFFAOYSA-N 1 2 357.248 2.124 20 30 FEEDLO COC(C[N@@H+](CCCO)Cc1ccc(C#N)cc1Br)OC ZINC000183660059 547697462 /nfs/dbraw/zinc/69/74/62/547697462.db2.gz TXGGQZCFXKANGS-UHFFFAOYSA-N 1 2 357.248 2.124 20 30 FEEDLO C=CCOc1ccc(C[NH+]2CCN(c3cc(OC)ncn3)CC2)cc1OC ZINC000184439994 547826858 /nfs/dbraw/zinc/82/68/58/547826858.db2.gz ZFBXTQXRFNIMRC-UHFFFAOYSA-N 1 2 370.453 2.381 20 30 FEEDLO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000184748600 547873931 /nfs/dbraw/zinc/87/39/31/547873931.db2.gz QJLBEPRCLYEGKP-UHFFFAOYSA-N 1 2 368.393 2.376 20 30 FEEDLO CCN1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C(C)(C)C1=O ZINC000186540486 548150174 /nfs/dbraw/zinc/15/01/74/548150174.db2.gz HQCHBYPXWXTELP-UHFFFAOYSA-N 1 2 374.510 2.380 20 30 FEEDLO CCN1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C(C)(C)C1=O ZINC000186540486 548150179 /nfs/dbraw/zinc/15/01/79/548150179.db2.gz HQCHBYPXWXTELP-UHFFFAOYSA-N 1 2 374.510 2.380 20 30 FEEDLO CCCNC(=O)C[C@@H](C(N)=O)[N@@H+](CC#Cc1cccc(Cl)c1)CCC ZINC000186882781 548211503 /nfs/dbraw/zinc/21/15/03/548211503.db2.gz HSNXUWWOXXPZFX-KRWDZBQOSA-N 1 2 363.889 2.174 20 30 FEEDLO CCCNC(=O)C[C@@H](C(N)=O)[N@H+](CC#Cc1cccc(Cl)c1)CCC ZINC000186882781 548211507 /nfs/dbraw/zinc/21/15/07/548211507.db2.gz HSNXUWWOXXPZFX-KRWDZBQOSA-N 1 2 363.889 2.174 20 30 FEEDLO C#CCN1C(=O)c2ccccc2N[C@@H]1c1ccc(N(C)CCOC)[nH+]c1 ZINC000190364954 548323758 /nfs/dbraw/zinc/32/37/58/548323758.db2.gz AGKMKUJYXTZJAK-IBGZPJMESA-N 1 2 350.422 2.364 20 30 FEEDLO C[C@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN(CC#Cc3ccccc3)CC2)C1 ZINC000191917887 548352766 /nfs/dbraw/zinc/35/27/66/548352766.db2.gz HHSNJOLUPYGSMT-PMACEKPBSA-N 1 2 353.510 2.160 20 30 FEEDLO CC(C)(C)OC(=O)[C@@H]1CC[N@@H+]([C@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000246553420 549159854 /nfs/dbraw/zinc/15/98/54/549159854.db2.gz UFMXGJJEDOFFLQ-KGLIPLIRSA-N 1 2 361.467 2.389 20 30 FEEDLO CC(C)(C)OC(=O)[C@@H]1CC[N@H+]([C@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000246553420 549159858 /nfs/dbraw/zinc/15/98/58/549159858.db2.gz UFMXGJJEDOFFLQ-KGLIPLIRSA-N 1 2 361.467 2.389 20 30 FEEDLO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000247020085 549266175 /nfs/dbraw/zinc/26/61/75/549266175.db2.gz PBOLDVOQRNXCFQ-KPFFTGBYSA-N 1 2 371.481 2.141 20 30 FEEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)c(C#N)c1C ZINC000249711898 549618760 /nfs/dbraw/zinc/61/87/60/549618760.db2.gz FKZBCVVJVNLDME-CZUORRHYSA-N 1 2 372.469 2.333 20 30 FEEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)c(C#N)c1C ZINC000249711898 549618764 /nfs/dbraw/zinc/61/87/64/549618764.db2.gz FKZBCVVJVNLDME-CZUORRHYSA-N 1 2 372.469 2.333 20 30 FEEDLO C[C@@H](NC(=O)[C@H](C)[NH+]1CCN(c2ncccc2C#N)CC1)c1ccccc1 ZINC000253375575 549684339 /nfs/dbraw/zinc/68/43/39/549684339.db2.gz QGCUAXQXQXWWEF-SJORKVTESA-N 1 2 363.465 2.341 20 30 FEEDLO C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@@H]2CCC[N@H+]2C)nc1C ZINC000264669846 549999418 /nfs/dbraw/zinc/99/94/18/549999418.db2.gz QWWXJAFFQBIMKC-JTQLQIEISA-N 1 2 364.500 2.217 20 30 FEEDLO C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@@H]2CCC[N@@H+]2C)nc1C ZINC000264669846 549999421 /nfs/dbraw/zinc/99/94/21/549999421.db2.gz QWWXJAFFQBIMKC-JTQLQIEISA-N 1 2 364.500 2.217 20 30 FEEDLO C=CCNC(=O)c1ccc(NCc2ccc(N3CCO[C@@H](C)C3)[nH+]c2)nc1 ZINC000264864863 550002382 /nfs/dbraw/zinc/00/23/82/550002382.db2.gz MXYUHKWJQZWEOD-HNNXBMFYSA-N 1 2 367.453 2.230 20 30 FEEDLO C=CCOc1cccc(NC(=O)C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000267422683 550031114 /nfs/dbraw/zinc/03/11/14/550031114.db2.gz SXBXPUJVNCEGRJ-UHFFFAOYSA-N 1 2 354.410 2.319 20 30 FEEDLO CN(C1CC[NH+](CC#Cc2ccc(C(F)(F)F)cc2)CC1)S(C)(=O)=O ZINC000267428747 550031883 /nfs/dbraw/zinc/03/18/83/550031883.db2.gz YJFRQBQPXYYUME-UHFFFAOYSA-N 1 2 374.428 2.413 20 30 FEEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000268964456 550138115 /nfs/dbraw/zinc/13/81/15/550138115.db2.gz KLFCKPIKFMFEPR-HOCLYGCPSA-N 1 2 363.508 2.447 20 30 FEEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000268964456 550138116 /nfs/dbraw/zinc/13/81/16/550138116.db2.gz KLFCKPIKFMFEPR-HOCLYGCPSA-N 1 2 363.508 2.447 20 30 FEEDLO C=CCNC(=O)NC(=O)C[N@@H+](C)Cc1ccc(Br)c(F)c1 ZINC000494292689 561466499 /nfs/dbraw/zinc/46/64/99/561466499.db2.gz ILODVJLPZYBODM-UHFFFAOYSA-N 1 2 358.211 2.032 20 30 FEEDLO C=CCNC(=O)NC(=O)C[N@H+](C)Cc1ccc(Br)c(F)c1 ZINC000494292689 561466500 /nfs/dbraw/zinc/46/65/00/561466500.db2.gz ILODVJLPZYBODM-UHFFFAOYSA-N 1 2 358.211 2.032 20 30 FEEDLO C=CCS(=O)(=O)CC[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000272882635 550475055 /nfs/dbraw/zinc/47/50/55/550475055.db2.gz VYGKWCHQRHVMTE-UHFFFAOYSA-N 1 2 367.452 2.409 20 30 FEEDLO CCOC(=O)C1(O)CC[NH+](Cc2cc(C#N)ccc2Br)CC1 ZINC000276890527 550607700 /nfs/dbraw/zinc/60/77/00/550607700.db2.gz KBRXGMNZGWIUTP-UHFFFAOYSA-N 1 2 367.243 2.211 20 30 FEEDLO N#Cc1cccc(OCCCCC(=O)NCC2([NH+]3CCOCC3)CC2)c1 ZINC000277572180 550686155 /nfs/dbraw/zinc/68/61/55/550686155.db2.gz AUHRNCVCRVWIIU-UHFFFAOYSA-N 1 2 357.454 2.088 20 30 FEEDLO COc1ccc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1C1CC1 ZINC000277961681 550733163 /nfs/dbraw/zinc/73/31/63/550733163.db2.gz LWXBIACVZOTDIX-UHFFFAOYSA-N 1 2 357.454 2.261 20 30 FEEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000278880010 550831855 /nfs/dbraw/zinc/83/18/55/550831855.db2.gz NBHUIUMONKQMHL-AUUYWEPGSA-N 1 2 372.494 2.231 20 30 FEEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000278880010 550831857 /nfs/dbraw/zinc/83/18/57/550831857.db2.gz NBHUIUMONKQMHL-AUUYWEPGSA-N 1 2 372.494 2.231 20 30 FEEDLO C[C@@H]1CN(C(=O)c2cc(-c3cccc(C#N)c3)no2)C[C@@H]1[NH+]1CCOCC1 ZINC000279132321 550857389 /nfs/dbraw/zinc/85/73/89/550857389.db2.gz XGMFJCKZKNLBKB-KDOFPFPSSA-N 1 2 366.421 2.006 20 30 FEEDLO C#CCn1ccc(C[N@@H+](CC)[C@@H](C)C(=O)NCCc2ccccc2C)n1 ZINC000279679290 550915868 /nfs/dbraw/zinc/91/58/68/550915868.db2.gz GLAGEUBFFWQALP-SFHVURJKSA-N 1 2 352.482 2.394 20 30 FEEDLO C#CCn1ccc(C[N@H+](CC)[C@@H](C)C(=O)NCCc2ccccc2C)n1 ZINC000279679290 550915870 /nfs/dbraw/zinc/91/58/70/550915870.db2.gz GLAGEUBFFWQALP-SFHVURJKSA-N 1 2 352.482 2.394 20 30 FEEDLO C=C(C)CN(CC)C(=O)C[NH2+][C@H](c1ccc(C)cc1)[C@H](C)S(C)(=O)=O ZINC000280896504 551043355 /nfs/dbraw/zinc/04/33/55/551043355.db2.gz QRIWFYRTJZSQMB-LPHOPBHVSA-N 1 2 366.527 2.483 20 30 FEEDLO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000280966192 551050223 /nfs/dbraw/zinc/05/02/23/551050223.db2.gz NWXZHPGWOJHVNV-UHFFFAOYSA-N 1 2 368.393 2.376 20 30 FEEDLO C#C[C@H](NC(=O)N[C@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1)C(C)C ZINC000281036354 551056884 /nfs/dbraw/zinc/05/68/84/551056884.db2.gz ILNAVWCHZKQUID-ROUUACIJSA-N 1 2 370.453 2.484 20 30 FEEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000281314346 551083688 /nfs/dbraw/zinc/08/36/88/551083688.db2.gz IOBKFZUKFXOCIQ-RHSMWYFYSA-N 1 2 356.382 2.492 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)Nc2ccc(OC)c(Cl)c2)C1=O ZINC000281323663 551084435 /nfs/dbraw/zinc/08/44/35/551084435.db2.gz LLPOVVQZYIFMPJ-AWEZNQCLSA-N 1 2 351.834 2.006 20 30 FEEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)Nc2ccc(OC)c(Cl)c2)C1=O ZINC000281323663 551084436 /nfs/dbraw/zinc/08/44/36/551084436.db2.gz LLPOVVQZYIFMPJ-AWEZNQCLSA-N 1 2 351.834 2.006 20 30 FEEDLO C=CCn1c(C)nnc1N1CC[NH+](CC(=O)Nc2ccccc2CC)CC1 ZINC000282134000 551185336 /nfs/dbraw/zinc/18/53/36/551185336.db2.gz AXRKQAYVTRAOEA-UHFFFAOYSA-N 1 2 368.485 2.096 20 30 FEEDLO C[C@@H](O)c1ncc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000282949505 551288812 /nfs/dbraw/zinc/28/88/12/551288812.db2.gz KWGVDVHUJKFNDI-CQSZACIVSA-N 1 2 370.478 2.416 20 30 FEEDLO C[C@@H](O)c1ncc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000282949505 551288814 /nfs/dbraw/zinc/28/88/14/551288814.db2.gz KWGVDVHUJKFNDI-CQSZACIVSA-N 1 2 370.478 2.416 20 30 FEEDLO N#Cc1ccc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)nc1Cl ZINC000283172031 551323159 /nfs/dbraw/zinc/32/31/59/551323159.db2.gz WHKZDBMPZRCHNN-QGZVFWFLSA-N 1 2 370.840 2.410 20 30 FEEDLO Cc1onc(CC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)c1C#N ZINC000498561281 561528437 /nfs/dbraw/zinc/52/84/37/561528437.db2.gz DZZDOBTVWOJYTJ-QAPCUYQASA-N 1 2 360.364 2.237 20 30 FEEDLO Cc1onc(CC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)c1C#N ZINC000498561281 561528438 /nfs/dbraw/zinc/52/84/38/561528438.db2.gz DZZDOBTVWOJYTJ-QAPCUYQASA-N 1 2 360.364 2.237 20 30 FEEDLO N#Cc1ccc(Cl)c(C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)c1 ZINC000285552772 551773923 /nfs/dbraw/zinc/77/39/23/551773923.db2.gz SMVKWKPLKQSVPN-UHFFFAOYSA-N 1 2 356.813 2.373 20 30 FEEDLO C#CC[N@@H+](CC(=O)N1CCC(C(=O)N(C)C(C)C)CC1)Cc1ccccc1 ZINC000285881596 551822918 /nfs/dbraw/zinc/82/29/18/551822918.db2.gz YQNLOZMXXGFWGU-UHFFFAOYSA-N 1 2 369.509 2.227 20 30 FEEDLO C#CC[N@H+](CC(=O)N1CCC(C(=O)N(C)C(C)C)CC1)Cc1ccccc1 ZINC000285881596 551822920 /nfs/dbraw/zinc/82/29/20/551822920.db2.gz YQNLOZMXXGFWGU-UHFFFAOYSA-N 1 2 369.509 2.227 20 30 FEEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C(C)C)c1C ZINC000285941490 551829861 /nfs/dbraw/zinc/82/98/61/551829861.db2.gz MFLPIRCSAYTNFS-MSOLQXFVSA-N 1 2 358.486 2.350 20 30 FEEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C(C)C)c1C ZINC000285941490 551829863 /nfs/dbraw/zinc/82/98/63/551829863.db2.gz MFLPIRCSAYTNFS-MSOLQXFVSA-N 1 2 358.486 2.350 20 30 FEEDLO C=CCn1c(=O)c2ccc(C(=O)N3CCCC[C@@H]3CC[NH3+])cc2[nH]c1=S ZINC000286125734 551851331 /nfs/dbraw/zinc/85/13/31/551851331.db2.gz OQYLKCWTEGORCY-CQSZACIVSA-N 1 2 372.494 2.215 20 30 FEEDLO CC1CCN(c2ccc(CNS(=O)(=O)c3ccc(C#N)o3)c[nH+]2)CC1 ZINC000286577063 551901789 /nfs/dbraw/zinc/90/17/89/551901789.db2.gz JMTJMJHYWUGNPG-UHFFFAOYSA-N 1 2 360.439 2.261 20 30 FEEDLO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCN(c3cnccc3C#N)CC2)C1 ZINC000288111653 552093406 /nfs/dbraw/zinc/09/34/06/552093406.db2.gz BVCKXSBKQBMECX-INIZCTEOSA-N 1 2 357.458 2.085 20 30 FEEDLO COc1ccc([C@H](NC(=O)Cc2noc(C)c2C#N)c2[nH+]ccn2C)cc1 ZINC000499629416 561554850 /nfs/dbraw/zinc/55/48/50/561554850.db2.gz YHAWFUJKZSFWKZ-SFHVURJKSA-N 1 2 365.393 2.045 20 30 FEEDLO Cc1onc(CC(=O)N[C@H](c2[nH+]ccn2C)c2cccc(F)c2)c1C#N ZINC000499715082 561556819 /nfs/dbraw/zinc/55/68/19/561556819.db2.gz VJMJVTUHEIFENZ-KRWDZBQOSA-N 1 2 353.357 2.176 20 30 FEEDLO CC(C)c1[nH+]c2c(n1C)CCN(S(=O)(=O)Cc1ccc(C#N)cc1)C2 ZINC000288393054 552145880 /nfs/dbraw/zinc/14/58/80/552145880.db2.gz PUNICKIBUQYPJV-UHFFFAOYSA-N 1 2 358.467 2.303 20 30 FEEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)N(C)Cc2ccc(Cl)s2)C1=O ZINC000499939474 561562380 /nfs/dbraw/zinc/56/23/80/561562380.db2.gz PKNDHNYNVNVQDJ-CYBMUJFWSA-N 1 2 355.891 2.079 20 30 FEEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)N(C)Cc2ccc(Cl)s2)C1=O ZINC000499939474 561562381 /nfs/dbraw/zinc/56/23/81/561562381.db2.gz PKNDHNYNVNVQDJ-CYBMUJFWSA-N 1 2 355.891 2.079 20 30 FEEDLO COc1cc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc(C)n1 ZINC000499948499 561562764 /nfs/dbraw/zinc/56/27/64/561562764.db2.gz BNNHNRZKQDKNLX-UHFFFAOYSA-N 1 2 350.422 2.228 20 30 FEEDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)Cc3noc(C)c3C#N)CC2)c1 ZINC000499966261 561563112 /nfs/dbraw/zinc/56/31/12/561563112.db2.gz AYEFWZMLHITBPD-AWEZNQCLSA-N 1 2 368.437 2.311 20 30 FEEDLO N#Cc1cncc(S(=O)(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)c1 ZINC000289802711 552380805 /nfs/dbraw/zinc/38/08/05/552380805.db2.gz MZKHCEYLMJLYRG-UHFFFAOYSA-N 1 2 371.466 2.207 20 30 FEEDLO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)c1c(F)cccc1F ZINC000289837965 552387002 /nfs/dbraw/zinc/38/70/02/552387002.db2.gz KAYIBYYFYCOWBC-LLVKDONJSA-N 1 2 351.378 2.356 20 30 FEEDLO Cn1cc(C[NH+]2CCN([C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)cc1C#N ZINC000290102717 552427726 /nfs/dbraw/zinc/42/77/26/552427726.db2.gz HSQUCXBSWDLJBC-KRWDZBQOSA-N 1 2 373.501 2.024 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCS[C@H]3CCCC[C@@H]32)nc1 ZINC000290473822 552484659 /nfs/dbraw/zinc/48/46/59/552484659.db2.gz XCMRSATWWLEXGH-GJZGRUSLSA-N 1 2 351.497 2.087 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCS[C@H]3CCCC[C@@H]32)nc1 ZINC000290473822 552484662 /nfs/dbraw/zinc/48/46/62/552484662.db2.gz XCMRSATWWLEXGH-GJZGRUSLSA-N 1 2 351.497 2.087 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCS[C@H]3CCCC[C@H]32)nc1 ZINC000290473816 552484929 /nfs/dbraw/zinc/48/49/29/552484929.db2.gz XCMRSATWWLEXGH-CABCVRRESA-N 1 2 351.497 2.087 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCS[C@H]3CCCC[C@H]32)nc1 ZINC000290473816 552484931 /nfs/dbraw/zinc/48/49/31/552484931.db2.gz XCMRSATWWLEXGH-CABCVRRESA-N 1 2 351.497 2.087 20 30 FEEDLO CS(=O)(=O)C[C@H]1CC[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000292094086 552693357 /nfs/dbraw/zinc/69/33/57/552693357.db2.gz DNCJTTJMXTXWDJ-AWEZNQCLSA-N 1 2 361.385 2.303 20 30 FEEDLO CS(=O)(=O)C[C@H]1CC[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000292094086 552693358 /nfs/dbraw/zinc/69/33/58/552693358.db2.gz DNCJTTJMXTXWDJ-AWEZNQCLSA-N 1 2 361.385 2.303 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCCC[C@@H]1c1[nH+]ccn1CC ZINC000292299504 552713493 /nfs/dbraw/zinc/71/34/93/552713493.db2.gz KFWXVOAPFFQFFI-ZACQAIPSSA-N 1 2 374.485 2.054 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)NCc2ccc(N3CCCC3)[nH+]c2)cc1F ZINC000292843738 552764072 /nfs/dbraw/zinc/76/40/72/552764072.db2.gz CDOCVIBBWDXYKD-UHFFFAOYSA-N 1 2 360.414 2.171 20 30 FEEDLO CC#CC[N@H+](C)CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000293106357 552789385 /nfs/dbraw/zinc/78/93/85/552789385.db2.gz LJQRKMQNSFNNPN-UHFFFAOYSA-N 1 2 351.332 2.180 20 30 FEEDLO CC#CC[N@@H+](C)CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000293106357 552789387 /nfs/dbraw/zinc/78/93/87/552789387.db2.gz LJQRKMQNSFNNPN-UHFFFAOYSA-N 1 2 351.332 2.180 20 30 FEEDLO COc1ccc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1Cl ZINC000293468119 552826736 /nfs/dbraw/zinc/82/67/36/552826736.db2.gz QVVYQZUEDRNZHB-UHFFFAOYSA-N 1 2 351.834 2.037 20 30 FEEDLO CCOC(=O)[C@H](F)C1C[NH+](Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000293863929 552863543 /nfs/dbraw/zinc/86/35/43/552863543.db2.gz IMQVQQZTJCIXIV-QGZVFWFLSA-N 1 2 371.416 2.192 20 30 FEEDLO N#Cc1ccc(C(=O)N2CCN(Cc3cn4cc(Cl)ccc4[nH+]3)CC2)[nH]1 ZINC000501779295 561605283 /nfs/dbraw/zinc/60/52/83/561605283.db2.gz XACCOWDNICLJGR-UHFFFAOYSA-N 1 2 368.828 2.145 20 30 FEEDLO Cn1cc[nH+]c1[C@@H]1N(S(=O)(=O)c2c(F)cc(C#N)cc2F)CC1(C)C ZINC000295174751 552966205 /nfs/dbraw/zinc/96/62/05/552966205.db2.gz AYLOHKNQWITQMF-AWEZNQCLSA-N 1 2 366.393 2.342 20 30 FEEDLO C[C@H]1C[C@H](C(F)(F)F)CC[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000295228367 552972527 /nfs/dbraw/zinc/97/25/27/552972527.db2.gz YTFIIJAETLPHKG-WCQYABFASA-N 1 2 361.389 2.390 20 30 FEEDLO C[C@H]1C[C@H](C(F)(F)F)CC[N@H+]1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000295228367 552972529 /nfs/dbraw/zinc/97/25/29/552972529.db2.gz YTFIIJAETLPHKG-WCQYABFASA-N 1 2 361.389 2.390 20 30 FEEDLO CCn1cc[nH+]c1CNS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000295416271 553002984 /nfs/dbraw/zinc/00/29/84/553002984.db2.gz IBDMKXRBTNRNQP-UHFFFAOYSA-N 1 2 358.345 2.272 20 30 FEEDLO C[C@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC(=O)N1 ZINC000296380934 553150683 /nfs/dbraw/zinc/15/06/83/553150683.db2.gz YDWXOODKLKHQGP-LBPRGKRZSA-N 1 2 360.483 2.038 20 30 FEEDLO C[C@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC(=O)N1 ZINC000296380934 553150685 /nfs/dbraw/zinc/15/06/85/553150685.db2.gz YDWXOODKLKHQGP-LBPRGKRZSA-N 1 2 360.483 2.038 20 30 FEEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@H](OC(=O)N(C)C)C1 ZINC000296680490 553197277 /nfs/dbraw/zinc/19/72/77/553197277.db2.gz LIJNXFWXFTWWEU-WBVHZDCISA-N 1 2 358.442 2.094 20 30 FEEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@H](OC(=O)N(C)C)C1 ZINC000296680490 553197279 /nfs/dbraw/zinc/19/72/79/553197279.db2.gz LIJNXFWXFTWWEU-WBVHZDCISA-N 1 2 358.442 2.094 20 30 FEEDLO C=CCCCN(C)C(=O)C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000297715819 553329406 /nfs/dbraw/zinc/32/94/06/553329406.db2.gz GIMWUADCZQAIKO-UHFFFAOYSA-N 1 2 361.461 2.285 20 30 FEEDLO C=CCCCN(C)C(=O)C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000297715819 553329407 /nfs/dbraw/zinc/32/94/07/553329407.db2.gz GIMWUADCZQAIKO-UHFFFAOYSA-N 1 2 361.461 2.285 20 30 FEEDLO N#CCc1ccc(C[N@H+]2CCNC(=O)[C@H]2Cc2nc3ccccc3o2)cc1 ZINC000503224798 561637361 /nfs/dbraw/zinc/63/73/61/561637361.db2.gz UHLWFCUASKALAL-GOSISDBHSA-N 1 2 360.417 2.437 20 30 FEEDLO N#CCc1ccc(C[N@@H+]2CCNC(=O)[C@H]2Cc2nc3ccccc3o2)cc1 ZINC000503224798 561637362 /nfs/dbraw/zinc/63/73/62/561637362.db2.gz UHLWFCUASKALAL-GOSISDBHSA-N 1 2 360.417 2.437 20 30 FEEDLO C=CCN(CCc1ccco1)C(=O)C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000297889683 553353436 /nfs/dbraw/zinc/35/34/36/553353436.db2.gz VKGPVHVNSYYNAY-WMZOPIPTSA-N 1 2 370.453 2.143 20 30 FEEDLO Cc1ccccc1CN(C)C(=O)C[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000298282923 553407831 /nfs/dbraw/zinc/40/78/31/553407831.db2.gz LZUUGSOLPBVOGA-UHFFFAOYSA-N 1 2 363.465 2.042 20 30 FEEDLO CC[C@@H](Oc1ccccc1F)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000298501450 553432919 /nfs/dbraw/zinc/43/29/19/553432919.db2.gz ATRWQEOQSLYZKK-QGZVFWFLSA-N 1 2 363.433 2.058 20 30 FEEDLO COc1ccc(NC(=O)[C@H](C)[NH+]2CCN(c3ccc(C#N)cn3)CC2)cc1 ZINC000299014377 553503560 /nfs/dbraw/zinc/50/35/60/553503560.db2.gz DTSUVFBYBHVUGN-HNNXBMFYSA-N 1 2 365.437 2.111 20 30 FEEDLO C=CCNS(=O)(=O)c1cccc(C(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)c1 ZINC000299513966 553574067 /nfs/dbraw/zinc/57/40/67/553574067.db2.gz KEJMEOYSDBDXGB-MRXNPFEDSA-N 1 2 374.466 2.241 20 30 FEEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)NCc3cc(-c4ccccc4)no3)C[C@@H]21 ZINC000328890040 553839614 /nfs/dbraw/zinc/83/96/14/553839614.db2.gz RJUMKAXIQNJLAQ-ZWKOTPCHSA-N 1 2 356.426 2.161 20 30 FEEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)NCc3cc(-c4ccccc4)no3)C[C@@H]21 ZINC000328890040 553839616 /nfs/dbraw/zinc/83/96/16/553839616.db2.gz RJUMKAXIQNJLAQ-ZWKOTPCHSA-N 1 2 356.426 2.161 20 30 FEEDLO C[N@@H+]1CCO[C@H](CNC(=O)Nc2cccc3c2CN(c2nccs2)C3)C1 ZINC000328889567 553839863 /nfs/dbraw/zinc/83/98/63/553839863.db2.gz QRPBEEWLOAVETN-CQSZACIVSA-N 1 2 373.482 2.320 20 30 FEEDLO C[N@H+]1CCO[C@H](CNC(=O)Nc2cccc3c2CN(c2nccs2)C3)C1 ZINC000328889567 553839868 /nfs/dbraw/zinc/83/98/68/553839868.db2.gz QRPBEEWLOAVETN-CQSZACIVSA-N 1 2 373.482 2.320 20 30 FEEDLO CC(C)(C)C(=O)N1CSC[C@@H]1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000328902396 553841833 /nfs/dbraw/zinc/84/18/33/553841833.db2.gz GOJFCRVIZASNSU-CYBMUJFWSA-N 1 2 357.520 2.001 20 30 FEEDLO N#Cc1cccc(F)c1CC(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000506020848 561687553 /nfs/dbraw/zinc/68/75/53/561687553.db2.gz CUFNYVSYCSKIMC-HXUWFJFHSA-N 1 2 367.424 2.430 20 30 FEEDLO COc1ccc2c(c1)OC[C@H](NC(=O)N1CC[C@@H](Oc3cc[nH+]cc3)C1)C2 ZINC000329018040 553865816 /nfs/dbraw/zinc/86/58/16/553865816.db2.gz RJQVTVSUAYCBQO-CRAIPNDOSA-N 1 2 369.421 2.461 20 30 FEEDLO Cc1nc(C)c(C(=O)N[C@@H]2CCC(=O)N(C3CC3)[C@H]2c2c[nH+]cn2C)o1 ZINC000329062762 553873806 /nfs/dbraw/zinc/87/38/06/553873806.db2.gz OAEPKAQLEXXIFF-CZUORRHYSA-N 1 2 357.414 2.224 20 30 FEEDLO Cc1nc(CCNC(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)c(C)o1 ZINC000329105395 553881676 /nfs/dbraw/zinc/88/16/76/553881676.db2.gz CYYHUKZQSUXANH-UHFFFAOYSA-N 1 2 359.430 2.400 20 30 FEEDLO O=C(NCc1ccccc1-n1cc[nH+]c1)N[C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000329128303 553885372 /nfs/dbraw/zinc/88/53/72/553885372.db2.gz VHMUWUFJRKQLPU-APWZRJJASA-N 1 2 356.426 2.214 20 30 FEEDLO O=C(CN1CCCCC1=O)Nc1ccc2[nH]c(N3CCOCC3)[nH+]c2c1 ZINC000329142446 553888545 /nfs/dbraw/zinc/88/85/45/553888545.db2.gz LGWXUPQNSCROJE-UHFFFAOYSA-N 1 2 357.414 2.000 20 30 FEEDLO C=CCNC(=O)CN1CC[NH+](Cc2c[nH]nc2-c2ccc(Cl)cc2)CC1 ZINC000506313170 561695497 /nfs/dbraw/zinc/69/54/97/561695497.db2.gz UMHFUUBMUBGEAZ-UHFFFAOYSA-N 1 2 373.888 2.150 20 30 FEEDLO C=CCNC(=O)C[NH+]1CCN(Cc2c[nH]nc2-c2ccc(Cl)cc2)CC1 ZINC000506313170 561695498 /nfs/dbraw/zinc/69/54/98/561695498.db2.gz UMHFUUBMUBGEAZ-UHFFFAOYSA-N 1 2 373.888 2.150 20 30 FEEDLO Cn1c[nH+]cc1[C@H]1[C@H](NC(=O)N2CCC3(CCC3)C2)CCC(=O)N1C1CC1 ZINC000329205771 553902125 /nfs/dbraw/zinc/90/21/25/553902125.db2.gz DNMSHROFPFAMJF-CRAIPNDOSA-N 1 2 371.485 2.405 20 30 FEEDLO C[C@@H](C(=O)N1CCC(NC(=O)CC2CCCC2)CC1)[NH+]1CCOCC1 ZINC000329218819 553904923 /nfs/dbraw/zinc/90/49/23/553904923.db2.gz SAXQMKDQIAXLEM-HNNXBMFYSA-N 1 2 351.491 2.235 20 30 FEEDLO O=C(NC[C@@H](c1ccccc1)[NH+]1CCOCC1)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000329220268 553905544 /nfs/dbraw/zinc/90/55/44/553905544.db2.gz BFOYQRBCCOOVKQ-FGTMMUONSA-N 1 2 372.469 2.025 20 30 FEEDLO CCc1nc([C@H](C)NC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)cs1 ZINC000329243249 553909498 /nfs/dbraw/zinc/90/94/98/553909498.db2.gz STJAABZTXUOIRB-HZSPNIEDSA-N 1 2 352.504 2.476 20 30 FEEDLO CN(C)C(=O)C1(C(=O)NC[C@@H]2C[C@H](F)C[N@@H+]2Cc2cccs2)CC1 ZINC000329265447 553913487 /nfs/dbraw/zinc/91/34/87/553913487.db2.gz CJFNQJQLUPNJJJ-STQMWFEESA-N 1 2 353.463 2.485 20 30 FEEDLO CN(C)C(=O)C1(C(=O)NC[C@@H]2C[C@H](F)C[N@H+]2Cc2cccs2)CC1 ZINC000329265447 553913490 /nfs/dbraw/zinc/91/34/90/553913490.db2.gz CJFNQJQLUPNJJJ-STQMWFEESA-N 1 2 353.463 2.485 20 30 FEEDLO CCC1(CC)[C@H](NC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)C[C@H]1OC ZINC000329304076 553921710 /nfs/dbraw/zinc/92/17/10/553921710.db2.gz XBGLYFVILLWGAQ-YLFCFFPRSA-N 1 2 353.507 2.289 20 30 FEEDLO C[C@@H]1CCC[C@H](NC(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)C1 ZINC000329308365 553922346 /nfs/dbraw/zinc/92/23/46/553922346.db2.gz ZSKAVDACEOJWHG-CABCVRRESA-N 1 2 359.474 2.374 20 30 FEEDLO COc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000329403640 553939996 /nfs/dbraw/zinc/93/99/96/553939996.db2.gz CEJZYHBFQOFFTR-GXTWGEPZSA-N 1 2 353.850 2.342 20 30 FEEDLO COc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+]1CCN2CCOC[C@H]2C1 ZINC000329403640 553939998 /nfs/dbraw/zinc/93/99/98/553939998.db2.gz CEJZYHBFQOFFTR-GXTWGEPZSA-N 1 2 353.850 2.342 20 30 FEEDLO O=C(NCc1ccc[nH+]c1N1CCOCC1)N1CCC[C@H]1C1CCOCC1 ZINC000329436484 553946652 /nfs/dbraw/zinc/94/66/52/553946652.db2.gz JHVRGKVKEPXYCI-SFHVURJKSA-N 1 2 374.485 2.223 20 30 FEEDLO CCCC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC000329470499 553952530 /nfs/dbraw/zinc/95/25/30/553952530.db2.gz YWXIXRLMNZAKKZ-SJORKVTESA-N 1 2 351.491 2.235 20 30 FEEDLO CCCC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2COCC[N@H+]2CC2CCC2)C1 ZINC000329470499 553952533 /nfs/dbraw/zinc/95/25/33/553952533.db2.gz YWXIXRLMNZAKKZ-SJORKVTESA-N 1 2 351.491 2.235 20 30 FEEDLO CN1C(=O)CC[C@H]1C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000329589068 553972519 /nfs/dbraw/zinc/97/25/19/553972519.db2.gz ZDUCIDFOWWAXLW-YQQAZPJKSA-N 1 2 365.861 2.289 20 30 FEEDLO CN1C(=O)CC[C@H]1C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000329589068 553972521 /nfs/dbraw/zinc/97/25/21/553972521.db2.gz ZDUCIDFOWWAXLW-YQQAZPJKSA-N 1 2 365.861 2.289 20 30 FEEDLO Cc1cccc2c1OC[C@@H](NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1)C2 ZINC000329605566 553975723 /nfs/dbraw/zinc/97/57/23/553975723.db2.gz HMJSHKPOZKMDKE-ROUUACIJSA-N 1 2 359.470 2.009 20 30 FEEDLO O=C(NCc1cn2ccccc2[nH+]1)N[C@H]1CCC(=O)N[C@@H]1[C@@H]1CCCO1 ZINC000329609725 553976054 /nfs/dbraw/zinc/97/60/54/553976054.db2.gz NNEXDZXNJMMZRZ-ZQIUZPCESA-N 1 2 357.414 2.004 20 30 FEEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)N[C@@H]3c4ccccc4CC34CCOCC4)C[C@H]21 ZINC000329628230 553978933 /nfs/dbraw/zinc/97/89/33/553978933.db2.gz UNUYXWMZSRRMJW-GUDVDZBRSA-N 1 2 371.481 2.009 20 30 FEEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)N[C@@H]3c4ccccc4CC34CCOCC4)C[C@H]21 ZINC000329628230 553978935 /nfs/dbraw/zinc/97/89/35/553978935.db2.gz UNUYXWMZSRRMJW-GUDVDZBRSA-N 1 2 371.481 2.009 20 30 FEEDLO [O-]C(=[NH+][C@H]1CCc2[nH]c[nH+]c2C1)N1CCc2c(ncn2-c2ccccc2)C1 ZINC000329732243 553996593 /nfs/dbraw/zinc/99/65/93/553996593.db2.gz IRLKFDDCDQIQOD-AWEZNQCLSA-N 1 2 362.437 2.425 20 30 FEEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)c1cn(CC3(C)COC3)nn1)C2 ZINC000329780846 554005035 /nfs/dbraw/zinc/00/50/35/554005035.db2.gz MXCZTHOBKNFQAB-CYBMUJFWSA-N 1 2 372.473 2.128 20 30 FEEDLO O=C(NC[C@@H]1CCc2[nH+]ccn2C1)N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000329956789 554038754 /nfs/dbraw/zinc/03/87/54/554038754.db2.gz PEAOEWNZNIUODA-KBPBESRZSA-N 1 2 374.876 2.276 20 30 FEEDLO C[C@@H]1CN(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)C[C@]2(CCOC2)O1 ZINC000329966627 554040357 /nfs/dbraw/zinc/04/03/57/554040357.db2.gz RXPLQVOLZYPYQU-BEFAXECRSA-N 1 2 356.426 2.166 20 30 FEEDLO Cc1ccn2cc(CNC(=O)N3CCO[C@@](C)(c4cnn(C)c4)C3)[nH+]c2c1 ZINC000329980655 554043339 /nfs/dbraw/zinc/04/33/39/554043339.db2.gz LTNSMJWAXHBQQL-LJQANCHMSA-N 1 2 368.441 2.038 20 30 FEEDLO O=C(Cc1ccc2n[nH]cc2c1)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000330030601 554051776 /nfs/dbraw/zinc/05/17/76/554051776.db2.gz RXGUFSMIHCKWOF-GOSISDBHSA-N 1 2 360.483 2.270 20 30 FEEDLO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2c(C)nn(C)c2C)C[C@@]2(CCOC2)O1 ZINC000330089430 554062795 /nfs/dbraw/zinc/06/27/95/554062795.db2.gz VUWDYPGBYVWNEA-IIDMSEBBSA-N 1 2 350.463 2.283 20 30 FEEDLO CC[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2c(C)nn(C)c2C)C[C@@]2(CCOC2)O1 ZINC000330089430 554062797 /nfs/dbraw/zinc/06/27/97/554062797.db2.gz VUWDYPGBYVWNEA-IIDMSEBBSA-N 1 2 350.463 2.283 20 30 FEEDLO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)N[C@@H]2CCCc3cn[nH]c32)C[C@H](C)O1 ZINC000330147262 554073575 /nfs/dbraw/zinc/07/35/75/554073575.db2.gz UAGIIEZLWXBCSM-HDEZJCGLSA-N 1 2 361.490 2.275 20 30 FEEDLO C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)N[C@@H]2CCCc3cn[nH]c32)C[C@H](C)O1 ZINC000330147262 554073576 /nfs/dbraw/zinc/07/35/76/554073576.db2.gz UAGIIEZLWXBCSM-HDEZJCGLSA-N 1 2 361.490 2.275 20 30 FEEDLO Cc1ccc(NC(=O)N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)cc1C(=O)N(C)C(C)C ZINC000330193510 554082436 /nfs/dbraw/zinc/08/24/36/554082436.db2.gz OFXGWIDWHSUKOK-QZTJIDSGSA-N 1 2 374.485 2.036 20 30 FEEDLO Cc1ccc(NC(=O)N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)cc1C(=O)N(C)C(C)C ZINC000330193510 554082439 /nfs/dbraw/zinc/08/24/39/554082439.db2.gz OFXGWIDWHSUKOK-QZTJIDSGSA-N 1 2 374.485 2.036 20 30 FEEDLO Cc1nccc(NC(=O)N2CC[C@@H](Oc3ccc[nH+]c3N3CCCC3)C2)n1 ZINC000330284923 554098661 /nfs/dbraw/zinc/09/86/61/554098661.db2.gz YDKKIVDSUFSXQP-OAHLLOKOSA-N 1 2 368.441 2.479 20 30 FEEDLO C[C@@H]1CN(c2ccc(CNC(=O)c3cc4n(n3)CCCO4)c[nH+]2)C[C@H](C)O1 ZINC000330293171 554100763 /nfs/dbraw/zinc/10/07/63/554100763.db2.gz HOPUFKMOKBFHJL-OKILXGFUSA-N 1 2 371.441 2.179 20 30 FEEDLO Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)c2cc3n(n2)CCCO3)cc1 ZINC000330300029 554101928 /nfs/dbraw/zinc/10/19/28/554101928.db2.gz MTWGQIUHCSCZLI-GOSISDBHSA-N 1 2 370.453 2.352 20 30 FEEDLO CC(C)(C)CC(=O)N1CSC[C@@H]1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000330333323 554106782 /nfs/dbraw/zinc/10/67/82/554106782.db2.gz YHFDPOGYYPANLF-CHWSQXEVSA-N 1 2 350.488 2.492 20 30 FEEDLO C[N@@H+]1CCO[C@H]2CN(CC(=O)Nc3ccc4c(c3)OC3(CCCC3)O4)C[C@H]21 ZINC000330336695 554107178 /nfs/dbraw/zinc/10/71/78/554107178.db2.gz SQLQRLUVHPFSJT-QAPCUYQASA-N 1 2 373.453 2.331 20 30 FEEDLO C[N@H+]1CCO[C@H]2CN(CC(=O)Nc3ccc4c(c3)OC3(CCCC3)O4)C[C@H]21 ZINC000330336695 554107180 /nfs/dbraw/zinc/10/71/80/554107180.db2.gz SQLQRLUVHPFSJT-QAPCUYQASA-N 1 2 373.453 2.331 20 30 FEEDLO CN1CCO[C@H]2C[N@H+](CC(=O)Nc3ccc4c(c3)OC3(CCCC3)O4)C[C@H]21 ZINC000330336695 554107182 /nfs/dbraw/zinc/10/71/82/554107182.db2.gz SQLQRLUVHPFSJT-QAPCUYQASA-N 1 2 373.453 2.331 20 30 FEEDLO CN1CCO[C@H]2C[N@@H+](CC(=O)Nc3ccc4c(c3)OC3(CCCC3)O4)C[C@H]21 ZINC000330336695 554107185 /nfs/dbraw/zinc/10/71/85/554107185.db2.gz SQLQRLUVHPFSJT-QAPCUYQASA-N 1 2 373.453 2.331 20 30 FEEDLO C[C@H](C(=O)Nc1nc2ccc(F)cc2s1)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000330345750 554108965 /nfs/dbraw/zinc/10/89/65/554108965.db2.gz FOSGXGNIEHHUGQ-DDTOSNHZSA-N 1 2 364.446 2.427 20 30 FEEDLO C[C@H](C(=O)Nc1nc2ccc(F)cc2s1)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000330345750 554108966 /nfs/dbraw/zinc/10/89/66/554108966.db2.gz FOSGXGNIEHHUGQ-DDTOSNHZSA-N 1 2 364.446 2.427 20 30 FEEDLO CCN1CCN(C(=O)Nc2cccc([S@](C)=O)c2)C[C@H]1c1[nH]cc[nH+]1 ZINC000330345490 554109080 /nfs/dbraw/zinc/10/90/80/554109080.db2.gz FFUUENOFRNKOLM-MQNRADLISA-N 1 2 361.471 2.071 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000330429735 554120666 /nfs/dbraw/zinc/12/06/66/554120666.db2.gz VIJJYAOSUIQQOU-OXJNMPFZSA-N 1 2 353.470 2.123 20 30 FEEDLO CC(C)SCC[NH+]1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000330449222 554123386 /nfs/dbraw/zinc/12/33/86/554123386.db2.gz XOMPZBFGIIKICJ-UHFFFAOYSA-N 1 2 353.513 2.006 20 30 FEEDLO COc1cc(Br)ccc1C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000330614970 554146554 /nfs/dbraw/zinc/14/65/54/554146554.db2.gz BYDSQYYFJHNQAT-NSHDSACASA-N 1 2 357.248 2.483 20 30 FEEDLO COc1cc(Br)ccc1C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000330614970 554146555 /nfs/dbraw/zinc/14/65/55/554146555.db2.gz BYDSQYYFJHNQAT-NSHDSACASA-N 1 2 357.248 2.483 20 30 FEEDLO CC(=O)[C@@](C)(O)C[NH+]1CCN(C(=O)Nc2ccc(C)c(Cl)c2)CC1 ZINC000331314533 554245815 /nfs/dbraw/zinc/24/58/15/554245815.db2.gz IPUJRVJXEJGSKT-KRWDZBQOSA-N 1 2 353.850 2.152 20 30 FEEDLO C[C@H]1CCN(C(=O)C(=O)N2CCC(C#N)([NH+](C)C)CC2)CC12CCCCC2 ZINC000331400001 554258053 /nfs/dbraw/zinc/25/80/53/554258053.db2.gz LKOMPLHVULYSCK-KRWDZBQOSA-N 1 2 374.529 2.252 20 30 FEEDLO C=CCn1c([C@@H]2OCC[C@@H]2C)nnc1N1CC[NH+](Cc2ccco2)CC1 ZINC000508913483 561777921 /nfs/dbraw/zinc/77/79/21/561777921.db2.gz OPIXRYQBZOQSCL-DOTOQJQBSA-N 1 2 357.458 2.477 20 30 FEEDLO C[C@@H](c1ccsc1)[NH+]1CCN(S(=O)(=O)CC2(CC#N)CC2)CC1 ZINC000333433571 554612964 /nfs/dbraw/zinc/61/29/64/554612964.db2.gz NZGMXHNKAFDMGW-AWEZNQCLSA-N 1 2 353.513 2.450 20 30 FEEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCCc2c(cnn2C)C1 ZINC000334031574 554670331 /nfs/dbraw/zinc/67/03/31/554670331.db2.gz LOWKPHPEMQZIRA-NGEICVOHSA-N 1 2 357.502 2.488 20 30 FEEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCCc2c(cnn2C)C1 ZINC000334031574 554670333 /nfs/dbraw/zinc/67/03/33/554670333.db2.gz LOWKPHPEMQZIRA-NGEICVOHSA-N 1 2 357.502 2.488 20 30 FEEDLO C=C(C)[C@@H](CC(=O)N1CCC2(CC1)NC(=O)C1(CCCCC1)[NH2+]2)OCC ZINC000363166412 555043791 /nfs/dbraw/zinc/04/37/91/555043791.db2.gz SIXQSFLBRNRBLN-MRXNPFEDSA-N 1 2 363.502 2.099 20 30 FEEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CCCOCC2)c1C#N ZINC000363435687 555105350 /nfs/dbraw/zinc/10/53/50/555105350.db2.gz BDNQECKFVDDBKC-UHFFFAOYSA-N 1 2 356.426 2.279 20 30 FEEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CCCOCC2)c1C#N ZINC000363435687 555105351 /nfs/dbraw/zinc/10/53/51/555105351.db2.gz BDNQECKFVDDBKC-UHFFFAOYSA-N 1 2 356.426 2.279 20 30 FEEDLO N#CCC[C@H](C#N)C[NH+]1CCC(C(=O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000363521030 555126779 /nfs/dbraw/zinc/12/67/79/555126779.db2.gz GDUSLUJQAIRAKP-CQSZACIVSA-N 1 2 366.421 2.356 20 30 FEEDLO C[C@@H]([NH2+]CC(=O)NCc1ccc(C#N)cc1)c1cn(-c2ccccc2)nn1 ZINC000363792003 555187263 /nfs/dbraw/zinc/18/72/63/555187263.db2.gz HGNPUDVNIFDMMT-OAHLLOKOSA-N 1 2 360.421 2.106 20 30 FEEDLO C=C(C)C[N@H+](CC(=O)N1CCO[C@H]2CCCC[C@H]21)Cc1ccc(CO)o1 ZINC000512202999 561895989 /nfs/dbraw/zinc/89/59/89/561895989.db2.gz LWOOPTFQXZUFMZ-MOPGFXCFSA-N 1 2 362.470 2.320 20 30 FEEDLO C=C(C)C[N@@H+](CC(=O)N1CCO[C@H]2CCCC[C@H]21)Cc1ccc(CO)o1 ZINC000512202999 561895991 /nfs/dbraw/zinc/89/59/91/561895991.db2.gz LWOOPTFQXZUFMZ-MOPGFXCFSA-N 1 2 362.470 2.320 20 30 FEEDLO N#CCCN(C(=O)C[N@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O)c1cccc(Cl)c1 ZINC000364957802 555449940 /nfs/dbraw/zinc/44/99/40/555449940.db2.gz VZGPRBBYXIVOMK-QANKJYHBSA-N 1 2 374.872 2.172 20 30 FEEDLO N#CCCN(C(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O)c1cccc(Cl)c1 ZINC000364957802 555449943 /nfs/dbraw/zinc/44/99/43/555449943.db2.gz VZGPRBBYXIVOMK-QANKJYHBSA-N 1 2 374.872 2.172 20 30 FEEDLO N#CCCN(C(=O)C[N@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O)c1cccc(Cl)c1 ZINC000364957803 555450276 /nfs/dbraw/zinc/45/02/76/555450276.db2.gz VZGPRBBYXIVOMK-XCRHUMRWSA-N 1 2 374.872 2.172 20 30 FEEDLO N#CCCN(C(=O)C[N@@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O)c1cccc(Cl)c1 ZINC000364957803 555450277 /nfs/dbraw/zinc/45/02/77/555450277.db2.gz VZGPRBBYXIVOMK-XCRHUMRWSA-N 1 2 374.872 2.172 20 30 FEEDLO N#Cc1ccc(N2CCN(C(=O)c3cccc(Cn4cc[nH+]c4)c3)CC2)nc1 ZINC000513110164 561925696 /nfs/dbraw/zinc/92/56/96/561925696.db2.gz KWTKFZKFMCQBFH-UHFFFAOYSA-N 1 2 372.432 2.160 20 30 FEEDLO C#CCn1ccc(C[N@@H+](CC)[C@@H](C)C(=O)N2CCc3sccc3C2)n1 ZINC000366104548 555752634 /nfs/dbraw/zinc/75/26/34/555752634.db2.gz PVYFNSZGNPAPPB-HNNXBMFYSA-N 1 2 356.495 2.373 20 30 FEEDLO C#CCn1ccc(C[N@H+](CC)[C@@H](C)C(=O)N2CCc3sccc3C2)n1 ZINC000366104548 555752637 /nfs/dbraw/zinc/75/26/37/555752637.db2.gz PVYFNSZGNPAPPB-HNNXBMFYSA-N 1 2 356.495 2.373 20 30 FEEDLO C[C@H]1C[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C[C@]2(CCCOC2)O1 ZINC000366578965 555881994 /nfs/dbraw/zinc/88/19/94/555881994.db2.gz QPPRIIQQLXYFKI-LIRRHRJNSA-N 1 2 354.410 2.378 20 30 FEEDLO C[C@H]1C[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C[C@]2(CCCOC2)O1 ZINC000366578965 555881996 /nfs/dbraw/zinc/88/19/96/555881996.db2.gz QPPRIIQQLXYFKI-LIRRHRJNSA-N 1 2 354.410 2.378 20 30 FEEDLO COc1cc[nH+]cc1CNC(=O)N1CCC(C#N)(c2ccccn2)CC1 ZINC000366645959 555898032 /nfs/dbraw/zinc/89/80/32/555898032.db2.gz COPFPTNJLYNBIC-UHFFFAOYSA-N 1 2 351.410 2.252 20 30 FEEDLO N#CC1(c2ccccn2)CC[NH+](CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)CC1 ZINC000367057567 556000841 /nfs/dbraw/zinc/00/08/41/556000841.db2.gz KUNPBUFUXJBIIZ-ZWKOTPCHSA-N 1 2 368.481 2.109 20 30 FEEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)CSCc1ccc(C#N)cc1 ZINC000367635088 556101893 /nfs/dbraw/zinc/10/18/93/556101893.db2.gz NJZSYDSYRCJSJP-YJBOKZPZSA-N 1 2 359.495 2.113 20 30 FEEDLO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)[C@H]1CCN(c3ccc(C#N)cc3F)C1)C2 ZINC000367721008 556122842 /nfs/dbraw/zinc/12/28/42/556122842.db2.gz NCEDXFIWYUAIEP-JKSUJKDBSA-N 1 2 367.428 2.160 20 30 FEEDLO N#Cc1ccccc1CSCCNC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000367757268 556131288 /nfs/dbraw/zinc/13/12/88/556131288.db2.gz LNZOOBBIYHRZFE-HNNXBMFYSA-N 1 2 355.467 2.371 20 30 FEEDLO N#Cc1ccccc1CSCCNC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000367757268 556131290 /nfs/dbraw/zinc/13/12/90/556131290.db2.gz LNZOOBBIYHRZFE-HNNXBMFYSA-N 1 2 355.467 2.371 20 30 FEEDLO N#CCOc1ccc(CC(=O)NC2CC[NH+](Cc3cscn3)CC2)cc1 ZINC000369182663 556528617 /nfs/dbraw/zinc/52/86/17/556528617.db2.gz DZXQFVCSUAFAKK-UHFFFAOYSA-N 1 2 370.478 2.369 20 30 FEEDLO CC(C)N1C(=O)N[C@]2(CC[N@H+](Cc3ccc(F)c(C#N)c3Cl)C2)C1=O ZINC000369362061 556580233 /nfs/dbraw/zinc/58/02/33/556580233.db2.gz JMTUFQXPRLFPAN-KRWDZBQOSA-N 1 2 364.808 2.255 20 30 FEEDLO CC(C)N1C(=O)N[C@]2(CC[N@@H+](Cc3ccc(F)c(C#N)c3Cl)C2)C1=O ZINC000369362061 556580234 /nfs/dbraw/zinc/58/02/34/556580234.db2.gz JMTUFQXPRLFPAN-KRWDZBQOSA-N 1 2 364.808 2.255 20 30 FEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1Cc2ccccc2[C@@H](n2cccn2)C1 ZINC000369449265 556603190 /nfs/dbraw/zinc/60/31/90/556603190.db2.gz XZIQXMAUNUMPRF-LPHOPBHVSA-N 1 2 351.454 2.296 20 30 FEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1Cc2ccccc2[C@@H](n2cccn2)C1 ZINC000369449265 556603191 /nfs/dbraw/zinc/60/31/91/556603191.db2.gz XZIQXMAUNUMPRF-LPHOPBHVSA-N 1 2 351.454 2.296 20 30 FEEDLO N#Cc1ccc(NC(=O)C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)cc1F ZINC000516355142 562040729 /nfs/dbraw/zinc/04/07/29/562040729.db2.gz KRVKMRUWKCRZNB-UHFFFAOYSA-N 1 2 371.759 2.253 20 30 FEEDLO N#Cc1cccc(-c2c[nH]c(CNC(=O)Cc3cn4ccccc4[nH+]3)n2)c1 ZINC000370754405 556957955 /nfs/dbraw/zinc/95/79/55/556957955.db2.gz RSJHBWAVVPWEHN-UHFFFAOYSA-N 1 2 356.389 2.455 20 30 FEEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@H](N2CCCCC2=O)C1 ZINC000370905584 557010421 /nfs/dbraw/zinc/01/04/21/557010421.db2.gz QGJJTQMIVPDEGB-YJBOKZPZSA-N 1 2 354.454 2.362 20 30 FEEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@H](N2CCCCC2=O)C1 ZINC000370905584 557010422 /nfs/dbraw/zinc/01/04/22/557010422.db2.gz QGJJTQMIVPDEGB-YJBOKZPZSA-N 1 2 354.454 2.362 20 30 FEEDLO Cc1cc(=NC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)[nH]n1CCC#N ZINC000371527731 557210903 /nfs/dbraw/zinc/21/09/03/557210903.db2.gz XOPGCELAQJJMGT-UHFFFAOYSA-N 1 2 367.388 2.752 20 30 FEEDLO O=c1ccc(N2CC[NH+](CC#Cc3ccc(C(F)(F)F)cc3)CC2)n[nH]1 ZINC000371862182 557313835 /nfs/dbraw/zinc/31/38/35/557313835.db2.gz AWXXYOVXPWPGGE-UHFFFAOYSA-N 1 2 362.355 2.375 20 30 FEEDLO CC(C)COc1cn(-c2ccccc2)nc1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000518986353 562122579 /nfs/dbraw/zinc/12/25/79/562122579.db2.gz LACIGGAAHNNSPD-HXUWFJFHSA-N 1 2 369.469 2.481 20 30 FEEDLO C=CC[C@@H](C(=O)NC[C@@]1([NH+]2CCOCC2)CCCOC1)c1ccccc1 ZINC000372294100 557432082 /nfs/dbraw/zinc/43/20/82/557432082.db2.gz IDJRBOXKPAGIMN-CTNGQTDRSA-N 1 2 358.482 2.344 20 30 FEEDLO CC(C)(CNC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)[NH+]1CCOCC1 ZINC000372451482 557473823 /nfs/dbraw/zinc/47/38/23/557473823.db2.gz MMFQTXDPOCQEME-UHFFFAOYSA-N 1 2 368.481 2.468 20 30 FEEDLO C=C(C)CN(CC)C(=O)C[N@H+](CC(=O)OC(C)(C)C)C1CCOCC1 ZINC000519604685 562136763 /nfs/dbraw/zinc/13/67/63/562136763.db2.gz KDBVBEMHUFPHQA-UHFFFAOYSA-N 1 2 354.491 2.234 20 30 FEEDLO C=C(C)CN(CC)C(=O)C[N@@H+](CC(=O)OC(C)(C)C)C1CCOCC1 ZINC000519604685 562136764 /nfs/dbraw/zinc/13/67/64/562136764.db2.gz KDBVBEMHUFPHQA-UHFFFAOYSA-N 1 2 354.491 2.234 20 30 FEEDLO Cc1oc(NC(=O)[C@@H](C)[NH+]2CCC3(CCN(C)C3=O)CC2)c(C#N)c1C ZINC000373182861 557645786 /nfs/dbraw/zinc/64/57/86/557645786.db2.gz MHYMNMQSTLNGCV-CYBMUJFWSA-N 1 2 358.442 2.039 20 30 FEEDLO N#Cc1cccc(CNC(=O)C[NH+]2CCN(c3ccc(F)cc3)CC2)c1 ZINC000520173205 562149858 /nfs/dbraw/zinc/14/98/58/562149858.db2.gz VJKPCFSCDCWGOC-UHFFFAOYSA-N 1 2 352.413 2.136 20 30 FEEDLO N#Cc1ccc2ncc(CN3C[C@@H]4[C@H](C3)OCC[N@@H+]4Cc3ccccc3)n2c1 ZINC000373825252 557767539 /nfs/dbraw/zinc/76/75/39/557767539.db2.gz IVXOYBJAKHTLRJ-RTWAWAEBSA-N 1 2 373.460 2.291 20 30 FEEDLO N#Cc1ccc2ncc(CN3C[C@@H]4[C@H](C3)OCC[N@H+]4Cc3ccccc3)n2c1 ZINC000373825252 557767543 /nfs/dbraw/zinc/76/75/43/557767543.db2.gz IVXOYBJAKHTLRJ-RTWAWAEBSA-N 1 2 373.460 2.291 20 30 FEEDLO N#Cc1ccc2ncc(C[N@H+]3C[C@@H]4[C@H](C3)OCCN4Cc3ccccc3)n2c1 ZINC000373825252 557767545 /nfs/dbraw/zinc/76/75/45/557767545.db2.gz IVXOYBJAKHTLRJ-RTWAWAEBSA-N 1 2 373.460 2.291 20 30 FEEDLO N#Cc1ccc2ncc(C[N@@H+]3C[C@@H]4[C@H](C3)OCCN4Cc3ccccc3)n2c1 ZINC000373825252 557767547 /nfs/dbraw/zinc/76/75/47/557767547.db2.gz IVXOYBJAKHTLRJ-RTWAWAEBSA-N 1 2 373.460 2.291 20 30 FEEDLO N#CCCCCS(=O)(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000374405280 557879844 /nfs/dbraw/zinc/87/98/44/557879844.db2.gz WSTREOYZHUQJKA-OAHLLOKOSA-N 1 2 350.488 2.422 20 30 FEEDLO COc1cc(OC)cc([C@]2(F)CC[N@@H+]([C@H](C)C(=O)N(C)CCC#N)C2)c1 ZINC000374634987 557909854 /nfs/dbraw/zinc/90/98/54/557909854.db2.gz FPPQZTNXBSBUTA-KUHUBIRLSA-N 1 2 363.433 2.335 20 30 FEEDLO COc1cc(OC)cc([C@]2(F)CC[N@H+]([C@H](C)C(=O)N(C)CCC#N)C2)c1 ZINC000374634987 557909855 /nfs/dbraw/zinc/90/98/55/557909855.db2.gz FPPQZTNXBSBUTA-KUHUBIRLSA-N 1 2 363.433 2.335 20 30 FEEDLO COc1ccc(C[NH+]2CC(n3cc([C@@H](C)O)nn3)C2)cc1OCCCC#N ZINC000374816624 557935594 /nfs/dbraw/zinc/93/55/94/557935594.db2.gz FYRKFBIAHJVREG-CQSZACIVSA-N 1 2 371.441 2.079 20 30 FEEDLO Cc1nn(C)c(C)c1[C@H]1COCCN1Cc1c[nH+]c2ccc(C#N)cn12 ZINC000375261935 558000662 /nfs/dbraw/zinc/00/06/62/558000662.db2.gz KUATYIKFRNOAGB-QGZVFWFLSA-N 1 2 350.426 2.130 20 30 FEEDLO COC(=O)[C@H](N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1)c1cccc(C#N)c1 ZINC000375470337 558032955 /nfs/dbraw/zinc/03/29/55/558032955.db2.gz JJXARCIFJOXVQR-GBESFXJTSA-N 1 2 357.454 2.005 20 30 FEEDLO C=CCCCS(=O)(=O)N[C@@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000521522412 562178118 /nfs/dbraw/zinc/17/81/18/562178118.db2.gz KVHRTKZTICCMMO-WMZOPIPTSA-N 1 2 352.500 2.162 20 30 FEEDLO C=CCCCS(=O)(=O)N[C@@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000521522412 562178119 /nfs/dbraw/zinc/17/81/19/562178119.db2.gz KVHRTKZTICCMMO-WMZOPIPTSA-N 1 2 352.500 2.162 20 30 FEEDLO N#Cc1ncn(C2CC[NH+](CC(=O)Nc3ccc(F)c(Cl)c3)CC2)n1 ZINC000375918192 558099748 /nfs/dbraw/zinc/09/97/48/558099748.db2.gz FDUZYWDBQIZIBU-UHFFFAOYSA-N 1 2 362.796 2.218 20 30 FEEDLO COC(=O)c1ccccc1C[N@@H+]1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000376645286 558202477 /nfs/dbraw/zinc/20/24/77/558202477.db2.gz UJEFMFLOORURFR-VFNWGFHPSA-N 1 2 361.401 2.319 20 30 FEEDLO COC(=O)c1ccccc1C[N@H+]1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000376645286 558202479 /nfs/dbraw/zinc/20/24/79/558202479.db2.gz UJEFMFLOORURFR-VFNWGFHPSA-N 1 2 361.401 2.319 20 30 FEEDLO N#Cc1csc([C@H]2NC(=[NH2+])Nc3nc4cc5c(cc4n32)OCCCO5)n1 ZINC000521802484 562183840 /nfs/dbraw/zinc/18/38/40/562183840.db2.gz MMUWBEQKTKNFEN-ZDUSSCGKSA-N 1 2 367.394 2.023 20 30 FEEDLO N#Cc1csc([C@H]2NC(=N)Nc3[nH+]c4cc5c(cc4n32)OCCCO5)n1 ZINC000521802484 562183841 /nfs/dbraw/zinc/18/38/41/562183841.db2.gz MMUWBEQKTKNFEN-ZDUSSCGKSA-N 1 2 367.394 2.023 20 30 FEEDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000377667951 558391641 /nfs/dbraw/zinc/39/16/41/558391641.db2.gz GQJWNHBWZYAHLL-QGZVFWFLSA-N 1 2 366.469 2.117 20 30 FEEDLO CCn1cc[nH+]c1[C@H](NS(=O)(=O)CCC(C)(C)C#N)C1CCOCC1 ZINC000377839073 558432581 /nfs/dbraw/zinc/43/25/81/558432581.db2.gz FYYIFCWXRDKKPZ-OAHLLOKOSA-N 1 2 368.503 2.230 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)CCOc1cccc(Cl)c1 ZINC000522862798 562204984 /nfs/dbraw/zinc/20/49/84/562204984.db2.gz GPEIYBGSCPCUNZ-UHFFFAOYSA-N 1 2 365.861 2.183 20 30 FEEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)NCCOc1ccc(C#N)cc1)CCC2 ZINC000378242258 558509740 /nfs/dbraw/zinc/50/97/40/558509740.db2.gz BXYRADDCZHLZOT-MRXNPFEDSA-N 1 2 353.426 2.319 20 30 FEEDLO COc1cc(C#N)ccc1C[N@@H+]1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000378360074 558538650 /nfs/dbraw/zinc/53/86/50/558538650.db2.gz JQRNUAPCTXQESA-IERDGZPVSA-N 1 2 358.401 2.412 20 30 FEEDLO COc1cc(C#N)ccc1C[N@H+]1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000378360074 558538651 /nfs/dbraw/zinc/53/86/51/558538651.db2.gz JQRNUAPCTXQESA-IERDGZPVSA-N 1 2 358.401 2.412 20 30 FEEDLO Cc1[nH+]c2n(c1CN1CCN(C(=O)c3cccc(C#N)c3)CC1)CCCC2 ZINC000378380566 558544205 /nfs/dbraw/zinc/54/42/05/558544205.db2.gz WRAWATCULKEFSE-UHFFFAOYSA-N 1 2 363.465 2.358 20 30 FEEDLO N#Cc1cccc(CS(=O)(=O)NCc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000523735442 562218760 /nfs/dbraw/zinc/21/87/60/562218760.db2.gz MFYVPYAZIJYQTQ-UHFFFAOYSA-N 1 2 352.419 2.364 20 30 FEEDLO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1S(=O)(=O)c1cccc(Cl)c1C#N ZINC000408182550 558654395 /nfs/dbraw/zinc/65/43/95/558654395.db2.gz LAFRNOHODDCDLZ-OLZOCXBDSA-N 1 2 353.875 2.459 20 30 FEEDLO C[C@@H]1C[N@H+]2CCCC[C@H]2CN1S(=O)(=O)c1cccc(Cl)c1C#N ZINC000408182550 558654396 /nfs/dbraw/zinc/65/43/96/558654396.db2.gz LAFRNOHODDCDLZ-OLZOCXBDSA-N 1 2 353.875 2.459 20 30 FEEDLO CCN(CCC#N)S(=O)(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000409568917 558703748 /nfs/dbraw/zinc/70/37/48/558703748.db2.gz BGJKKMQGXCGEIZ-UHFFFAOYSA-N 1 2 365.503 2.032 20 30 FEEDLO C[C@@H](C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)n1cnc(C#N)n1 ZINC000409868573 558724099 /nfs/dbraw/zinc/72/40/99/558724099.db2.gz WZDNWTWLFCTFAF-ZDUSSCGKSA-N 1 2 359.393 2.265 20 30 FEEDLO CC[C@H](C)NC(=O)C[NH+]1CCN(c2ccc(C(F)(F)F)c(C#N)n2)CC1 ZINC000410315370 558751197 /nfs/dbraw/zinc/75/11/97/558751197.db2.gz AAOUXMXNXAZZQT-LBPRGKRZSA-N 1 2 369.391 2.009 20 30 FEEDLO C=C(C)CN(Cc1ccccc1)C(=O)C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000410712770 558802284 /nfs/dbraw/zinc/80/22/84/558802284.db2.gz FZJDVWURBDNWJU-GOSISDBHSA-N 1 2 366.465 2.341 20 30 FEEDLO Cc1cccc(NC(=O)C(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2)c1C#N ZINC000525779574 562254767 /nfs/dbraw/zinc/25/47/67/562254767.db2.gz XMSNZSDVBDNWDA-GOSISDBHSA-N 1 2 373.416 2.445 20 30 FEEDLO C[C@@H]1CN(C(=O)C(=O)Nc2cccc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000411824056 558970653 /nfs/dbraw/zinc/97/06/53/558970653.db2.gz VRGUSEGNFYNWGB-MRXNPFEDSA-N 1 2 362.433 2.230 20 30 FEEDLO C[C@@H]1CN(C(=O)C(=O)Nc2cccc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000411824056 558970657 /nfs/dbraw/zinc/97/06/57/558970657.db2.gz VRGUSEGNFYNWGB-MRXNPFEDSA-N 1 2 362.433 2.230 20 30 FEEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](N2CCCC2=O)CC1 ZINC000412052645 559007087 /nfs/dbraw/zinc/00/70/87/559007087.db2.gz CXJSHGIIILJAOP-IEBWSBKVSA-N 1 2 355.438 2.249 20 30 FEEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](N2CCCC2=O)CC1 ZINC000412052645 559007089 /nfs/dbraw/zinc/00/70/89/559007089.db2.gz CXJSHGIIILJAOP-IEBWSBKVSA-N 1 2 355.438 2.249 20 30 FEEDLO Cc1cc(-c2noc([C@@H](C)[NH2+]CC(=O)NC3(C#N)CCC3)n2)ccc1F ZINC000526136039 562267920 /nfs/dbraw/zinc/26/79/20/562267920.db2.gz RJJICAFUGDWPRY-GFCCVEGCSA-N 1 2 357.389 2.397 20 30 FEEDLO Cc1cc(NC(=O)NC(C)(C)C[NH+]2CCOCC2)c(C#N)cc1N(C)C ZINC000417159773 559350490 /nfs/dbraw/zinc/35/04/90/559350490.db2.gz OZEXUQVSPDNCGV-UHFFFAOYSA-N 1 2 359.474 2.165 20 30 FEEDLO N#Cc1cccc(C[NH2+]C2(C(=O)[O-])CC[NH+](Cc3ccccc3)CC2)n1 ZINC000417596268 559368764 /nfs/dbraw/zinc/36/87/64/559368764.db2.gz ZMRNSYDUUYVHEC-UHFFFAOYSA-N 1 2 350.422 2.162 20 30 FEEDLO C=CCOc1ccc(C[N@H+]2CCC[C@H]2C(=O)NCC(=O)OC)cc1Cl ZINC000418119557 559390789 /nfs/dbraw/zinc/39/07/89/559390789.db2.gz GPUGYLVFFSUROC-HNNXBMFYSA-N 1 2 366.845 2.158 20 30 FEEDLO C=CCOc1ccc(C[N@@H+]2CCC[C@H]2C(=O)NCC(=O)OC)cc1Cl ZINC000418119557 559390790 /nfs/dbraw/zinc/39/07/90/559390790.db2.gz GPUGYLVFFSUROC-HNNXBMFYSA-N 1 2 366.845 2.158 20 30 FEEDLO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](c1ccco1)c1ccc(OC)cc1 ZINC000419277900 559434941 /nfs/dbraw/zinc/43/49/41/559434941.db2.gz GYJLCVFPYIYRSW-SUMWQHHRSA-N 1 2 357.410 2.368 20 30 FEEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000420953410 559513823 /nfs/dbraw/zinc/51/38/23/559513823.db2.gz ZMJXENUZFHJFMN-HUUCEWRRSA-N 1 2 352.500 2.123 20 30 FEEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000420953410 559513824 /nfs/dbraw/zinc/51/38/24/559513824.db2.gz ZMJXENUZFHJFMN-HUUCEWRRSA-N 1 2 352.500 2.123 20 30 FEEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000422533771 559593434 /nfs/dbraw/zinc/59/34/34/559593434.db2.gz XWDXCPRYXQAYHQ-ROUUACIJSA-N 1 2 366.465 2.419 20 30 FEEDLO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1cnn([C@@]2(C)CCS(=O)(=O)C2)c1 ZINC000425368096 559698267 /nfs/dbraw/zinc/69/82/67/559698267.db2.gz VSNBVTSZXIAGHV-BEFAXECRSA-N 1 2 372.494 2.481 20 30 FEEDLO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cnn([C@@]2(C)CCS(=O)(=O)C2)c1 ZINC000425368096 559698268 /nfs/dbraw/zinc/69/82/68/559698268.db2.gz VSNBVTSZXIAGHV-BEFAXECRSA-N 1 2 372.494 2.481 20 30 FEEDLO N#Cc1cccc(NCC(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)c1 ZINC000425953247 559725879 /nfs/dbraw/zinc/72/58/79/559725879.db2.gz RSPYHOIGMFSQCB-FQEVSTJZSA-N 1 2 364.449 2.160 20 30 FEEDLO Cn1cc(C[NH+]2CCN(C(=O)Nc3ccc(C#N)cc3Cl)CC2)cn1 ZINC000426129317 559730041 /nfs/dbraw/zinc/73/00/41/559730041.db2.gz UHCRFRJERQJHKG-UHFFFAOYSA-N 1 2 358.833 2.295 20 30 FEEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](CC(=O)NCc3ccc(Cl)cc3)C2)nc1 ZINC000428781949 559783091 /nfs/dbraw/zinc/78/30/91/559783091.db2.gz PDMBZKQFXSLHBP-QGZVFWFLSA-N 1 2 370.840 2.376 20 30 FEEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](CC(=O)NCc3ccc(Cl)cc3)C2)nc1 ZINC000428781949 559783092 /nfs/dbraw/zinc/78/30/92/559783092.db2.gz PDMBZKQFXSLHBP-QGZVFWFLSA-N 1 2 370.840 2.376 20 30 FEEDLO Cn1cc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)c2cc(F)ccc21 ZINC000431958020 559849475 /nfs/dbraw/zinc/84/94/75/559849475.db2.gz YRVUJHVFYOPUAG-UHFFFAOYSA-N 1 2 358.417 2.005 20 30 FEEDLO CC(C)N(CCC#N)C(=O)C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000527353829 562286201 /nfs/dbraw/zinc/28/62/01/562286201.db2.gz HOTWRFOTSSRKEV-MRXNPFEDSA-N 1 2 372.469 2.169 20 30 FEEDLO CC(C)(C#N)CCCC[NH+]1CCN(S(=O)(=O)N2CCCCCC2)CC1 ZINC000444598103 560116267 /nfs/dbraw/zinc/11/62/67/560116267.db2.gz PKKIXWMBNSXRFI-UHFFFAOYSA-N 1 2 370.563 2.445 20 30 FEEDLO C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)c1ccc(C#N)n1C ZINC000448894452 560205302 /nfs/dbraw/zinc/20/53/02/560205302.db2.gz AJTLWBDAAPJAQJ-KRWDZBQOSA-N 1 2 366.465 2.260 20 30 FEEDLO CCOC(=O)c1ccc(C[NH+]2CCN(c3ccccc3C#N)CC2)nc1 ZINC000450327900 560258764 /nfs/dbraw/zinc/25/87/64/560258764.db2.gz AAAUIOAHQKCKER-UHFFFAOYSA-N 1 2 350.422 2.452 20 30 FEEDLO CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1)c1cccc(C#N)c1[N+](=O)[O-] ZINC000450472729 560263420 /nfs/dbraw/zinc/26/34/20/560263420.db2.gz YDNVDNGXSWBCAE-HOTGVXAUSA-N 1 2 372.404 2.249 20 30 FEEDLO CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1)c1cccc(C#N)c1[N+](=O)[O-] ZINC000450472729 560263421 /nfs/dbraw/zinc/26/34/21/560263421.db2.gz YDNVDNGXSWBCAE-HOTGVXAUSA-N 1 2 372.404 2.249 20 30 FEEDLO C=CCOc1ccc(CC(=O)N2CCN(CC)[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000450859227 560276005 /nfs/dbraw/zinc/27/60/05/560276005.db2.gz AZTBLMMHFAZUQW-GOSISDBHSA-N 1 2 354.454 2.422 20 30 FEEDLO N#CCc1ccc(S(=O)(=O)N2CCC[C@H]2Cn2cc[nH+]c2)c(Cl)c1 ZINC000450993315 560281500 /nfs/dbraw/zinc/28/15/00/560281500.db2.gz VAHZPSNBNDEYPZ-AWEZNQCLSA-N 1 2 364.858 2.456 20 30 FEEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+](C(C)C)C1COC1 ZINC000451122553 560288263 /nfs/dbraw/zinc/28/82/63/560288263.db2.gz ZDXKQBDMIPMWRZ-UHFFFAOYSA-N 1 2 362.474 2.061 20 30 FEEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+](C(C)C)C1COC1 ZINC000451122553 560288264 /nfs/dbraw/zinc/28/82/64/560288264.db2.gz ZDXKQBDMIPMWRZ-UHFFFAOYSA-N 1 2 362.474 2.061 20 30 FEEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC[C@](O)(C(F)F)C1 ZINC000451427485 560306461 /nfs/dbraw/zinc/30/64/61/560306461.db2.gz JEJXPRBBBVGIJV-YVEFUNNKSA-N 1 2 355.360 2.163 20 30 FEEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CC[C@](O)(C(F)F)C1 ZINC000451427485 560306462 /nfs/dbraw/zinc/30/64/62/560306462.db2.gz JEJXPRBBBVGIJV-YVEFUNNKSA-N 1 2 355.360 2.163 20 30 FEEDLO Cc1cc(C#N)cc(NC(=O)C(=O)N2CC(C)(C)[C@@H]2c2[nH+]ccn2C)c1 ZINC000453837076 560407069 /nfs/dbraw/zinc/40/70/69/560407069.db2.gz UJZUWULPFQSWKZ-HNNXBMFYSA-N 1 2 351.410 2.148 20 30 FEEDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)C(=O)Nc2cccc(CC#N)c2)CC1(C)C ZINC000453840571 560407481 /nfs/dbraw/zinc/40/74/81/560407481.db2.gz XZBUSWFZTNWEMF-HNNXBMFYSA-N 1 2 351.410 2.034 20 30 FEEDLO C=CC(C)(C)CNC(=O)C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000453879062 560410217 /nfs/dbraw/zinc/41/02/17/560410217.db2.gz JDLKCELAWCIPAK-OAHLLOKOSA-N 1 2 359.470 2.347 20 30 FEEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)C(=O)Nc1cc(C#N)ccc1OC(C)C ZINC000453961475 560417154 /nfs/dbraw/zinc/41/71/54/560417154.db2.gz GQYZSECHENTMRW-ZDUSSCGKSA-N 1 2 369.425 2.378 20 30 FEEDLO C=CCN1C(=O)c2ccc(C(=O)N[C@@H]3C[C@H](C)n4cc[nH+]c43)cc2C1=O ZINC000456358146 560517227 /nfs/dbraw/zinc/51/72/27/560517227.db2.gz CEULFHBJFCRAIM-XHDPSFHLSA-N 1 2 350.378 2.101 20 30 FEEDLO Cc1ccc(N2CCC[N@H+](Cc3c(C#N)cccc3[N+](=O)[O-])CC2)nn1 ZINC000459329552 560679942 /nfs/dbraw/zinc/67/99/42/560679942.db2.gz ALTSGMKQOCQLDB-UHFFFAOYSA-N 1 2 352.398 2.277 20 30 FEEDLO Cc1ccc(N2CCC[N@@H+](Cc3c(C#N)cccc3[N+](=O)[O-])CC2)nn1 ZINC000459329552 560679943 /nfs/dbraw/zinc/67/99/43/560679943.db2.gz ALTSGMKQOCQLDB-UHFFFAOYSA-N 1 2 352.398 2.277 20 30 FEEDLO CCCN(CC(=O)Nc1ccccc1OC)C(=O)C[NH2+][C@H]1CCC[C@@H]1C#N ZINC000459476997 560688513 /nfs/dbraw/zinc/68/85/13/560688513.db2.gz YDWNMRDBWJRJLB-CVEARBPZSA-N 1 2 372.469 2.154 20 30 FEEDLO C=CCN(CC=C)C(=O)C(=O)N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000459819121 560710589 /nfs/dbraw/zinc/71/05/89/560710589.db2.gz SLFZFBGDDMMQCR-KRWDZBQOSA-N 1 2 371.481 2.101 20 30 FEEDLO COc1cc(C#N)ccc1S(=O)(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000464406607 560840848 /nfs/dbraw/zinc/84/08/48/560840848.db2.gz WEYJITAMKAQOBG-UHFFFAOYSA-N 1 2 368.418 2.231 20 30 FEEDLO C[C@H](C(=O)NC1(C#N)CCC1)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000469014748 560944766 /nfs/dbraw/zinc/94/47/66/560944766.db2.gz RGUFOPAAQRMMFU-OAHLLOKOSA-N 1 2 360.889 2.409 20 30 FEEDLO C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000469014748 560944767 /nfs/dbraw/zinc/94/47/67/560944767.db2.gz RGUFOPAAQRMMFU-OAHLLOKOSA-N 1 2 360.889 2.409 20 30 FEEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N1CC[NH+](CCOc2cccc(OC)c2)CC1 ZINC000469604806 560959395 /nfs/dbraw/zinc/95/93/95/560959395.db2.gz MESYZXCCOKOUJZ-WOJBJXKFSA-N 1 2 374.481 2.199 20 30 FEEDLO N#Cc1ccc([C@H](C(N)=O)[NH+]2CCC(O)(Cc3cccc(F)c3)CC2)cc1 ZINC000473439000 561050017 /nfs/dbraw/zinc/05/00/17/561050017.db2.gz DMZJUDYZGVOLQC-LJQANCHMSA-N 1 2 367.424 2.293 20 30 FEEDLO N#CC[C@@H](CC(=O)N1CC[C@@H](OCC[NH+]2CCOCC2)C1)c1ccccc1 ZINC000476338766 561117029 /nfs/dbraw/zinc/11/70/29/561117029.db2.gz ZZEBGKKZMKFXOU-VQTJNVASSA-N 1 2 371.481 2.024 20 30 FEEDLO CSc1[nH]c(=O)c(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)cc1C#N ZINC000476680012 561125923 /nfs/dbraw/zinc/12/59/23/561125923.db2.gz DLYGRTJRXNDLIU-OAHLLOKOSA-N 1 2 356.451 2.413 20 30 FEEDLO Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)N2CCC(F)(C#N)CC2)cc1 ZINC000476839781 561129607 /nfs/dbraw/zinc/12/96/07/561129607.db2.gz ARBSNBDPPGWEHO-GOSISDBHSA-N 1 2 374.460 2.406 20 30 FEEDLO C[C@@H](Sc1nnc(CC#N)n1C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000477082143 561136156 /nfs/dbraw/zinc/13/61/56/561136156.db2.gz HLCPWJWGISSTOI-LLVKDONJSA-N 1 2 367.438 2.391 20 30 FEEDLO N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000528548602 562335442 /nfs/dbraw/zinc/33/54/42/562335442.db2.gz JOCFIUHMMMNCGD-GHTZIAJQSA-N 1 2 362.433 2.250 20 30 FEEDLO N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000528548602 562335443 /nfs/dbraw/zinc/33/54/43/562335443.db2.gz JOCFIUHMMMNCGD-GHTZIAJQSA-N 1 2 362.433 2.250 20 30 FEEDLO COCc1ccc(NC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)cc1C#N ZINC000529207523 562364791 /nfs/dbraw/zinc/36/47/91/562364791.db2.gz UJCIIFZGKFSWRS-RDTXWAMCSA-N 1 2 358.442 2.032 20 30 FEEDLO COCc1ccc(NC(=O)N2CC[NH+](Cc3ccncc3)CC2)cc1C#N ZINC000529215541 562365366 /nfs/dbraw/zinc/36/53/66/562365366.db2.gz DVDDAXNBFIDOBH-UHFFFAOYSA-N 1 2 365.437 2.449 20 30 FEEDLO C[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)Cc1ccc2c(c1)OCCO2 ZINC000533606329 562514315 /nfs/dbraw/zinc/51/43/15/562514315.db2.gz LSPNQFADPBZSOR-UHFFFAOYSA-N 1 2 372.446 2.235 20 30 FEEDLO C[N@@H+](CCS(=O)(=O)c1cccc(C#N)c1)Cc1ccc2c(c1)OCCO2 ZINC000533606329 562514316 /nfs/dbraw/zinc/51/43/16/562514316.db2.gz LSPNQFADPBZSOR-UHFFFAOYSA-N 1 2 372.446 2.235 20 30 FEEDLO COC(=O)c1cccc(C[N@H+](CCO)Cc2ccccc2OC)c1C#N ZINC000535205780 562553090 /nfs/dbraw/zinc/55/30/90/562553090.db2.gz IQCKDFHLZCLRGC-UHFFFAOYSA-N 1 2 354.406 2.348 20 30 FEEDLO COC(=O)c1cccc(C[N@@H+](CCO)Cc2ccccc2OC)c1C#N ZINC000535205780 562553091 /nfs/dbraw/zinc/55/30/91/562553091.db2.gz IQCKDFHLZCLRGC-UHFFFAOYSA-N 1 2 354.406 2.348 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+](C)CCNC(=O)N(C)C)c1 ZINC000540827753 562594224 /nfs/dbraw/zinc/59/42/24/562594224.db2.gz MLYCQFAJVDMTSD-KRWDZBQOSA-N 1 2 373.501 2.142 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+](C)CCNC(=O)N(C)C)c1 ZINC000540827753 562594225 /nfs/dbraw/zinc/59/42/25/562594225.db2.gz MLYCQFAJVDMTSD-KRWDZBQOSA-N 1 2 373.501 2.142 20 30 FEEDLO C[C@@H](C(=O)N(C)C1CCCCC1)[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000545506055 562628384 /nfs/dbraw/zinc/62/83/84/562628384.db2.gz GHRQFSYIVNCCAC-INIZCTEOSA-N 1 2 355.486 2.255 20 30 FEEDLO COc1cc2c(cc1OC)C[N@H+](CC(=O)N(C)[C@H]1CCC[C@@H]1C#N)CC2 ZINC000601814910 567846607 /nfs/dbraw/zinc/84/66/07/567846607.db2.gz PXEJEZVJQVDUDA-WBVHZDCISA-N 1 2 357.454 2.213 20 30 FEEDLO COc1cc2c(cc1OC)C[N@@H+](CC(=O)N(C)[C@H]1CCC[C@@H]1C#N)CC2 ZINC000601814910 567846609 /nfs/dbraw/zinc/84/66/09/567846609.db2.gz PXEJEZVJQVDUDA-WBVHZDCISA-N 1 2 357.454 2.213 20 30 FEEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+](C)[C@@H]1CCCCN(C)C1=O ZINC000601970257 567890408 /nfs/dbraw/zinc/89/04/08/567890408.db2.gz NHDBRIHUHBLSFY-SJLPKXTDSA-N 1 2 356.470 2.264 20 30 FEEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)[C@@H]1CCCCN(C)C1=O ZINC000601970257 567890409 /nfs/dbraw/zinc/89/04/09/567890409.db2.gz NHDBRIHUHBLSFY-SJLPKXTDSA-N 1 2 356.470 2.264 20 30 FEEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)CC1 ZINC000602087270 567921534 /nfs/dbraw/zinc/92/15/34/567921534.db2.gz BYMNSPFPRQHPEA-UONOGXRCSA-N 1 2 357.380 2.069 20 30 FEEDLO COc1cc(-c2noc(C[N@H+]3C[C@@H](C)N(CC#N)[C@@H](C)C3)n2)ccc1C ZINC000602852263 568001599 /nfs/dbraw/zinc/00/15/99/568001599.db2.gz APVTYYOALYUWOY-GASCZTMLSA-N 1 2 355.442 2.472 20 30 FEEDLO COc1cc(-c2noc(C[N@@H+]3C[C@@H](C)N(CC#N)[C@@H](C)C3)n2)ccc1C ZINC000602852263 568001601 /nfs/dbraw/zinc/00/16/01/568001601.db2.gz APVTYYOALYUWOY-GASCZTMLSA-N 1 2 355.442 2.472 20 30 FEEDLO COc1ccccc1[C@H](C)N(C)C(=O)C[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602866341 568008213 /nfs/dbraw/zinc/00/82/13/568008213.db2.gz VQUOENFEXYTCGW-ZACQAIPSSA-N 1 2 358.486 2.133 20 30 FEEDLO CC(C)c1nnc(CC2CC[NH+]([C@H](C)C(=O)NC3(C#N)CCC3)CC2)[nH]1 ZINC000602866890 568008413 /nfs/dbraw/zinc/00/84/13/568008413.db2.gz TYBBHTHPXDMPDF-CQSZACIVSA-N 1 2 358.490 2.134 20 30 FEEDLO C[N@H+](CC(=O)NC1CCN(C(=O)C2CCCCC2)CC1)[C@H]1CCC[C@H]1C#N ZINC000602977172 568036184 /nfs/dbraw/zinc/03/61/84/568036184.db2.gz YUPCHWPFWXPTRK-HKUYNNGSSA-N 1 2 374.529 2.298 20 30 FEEDLO C[N@@H+](CC(=O)NC1CCN(C(=O)C2CCCCC2)CC1)[C@H]1CCC[C@H]1C#N ZINC000602977172 568036185 /nfs/dbraw/zinc/03/61/85/568036185.db2.gz YUPCHWPFWXPTRK-HKUYNNGSSA-N 1 2 374.529 2.298 20 30 FEEDLO N#CCC1(C[N@H+]2CCC[C@H](NS(=O)(=O)c3cccc(F)c3)C2)CC1 ZINC000602791026 568041317 /nfs/dbraw/zinc/04/13/17/568041317.db2.gz BTZQGEPLBKILPP-HNNXBMFYSA-N 1 2 351.447 2.262 20 30 FEEDLO N#CCC1(C[N@@H+]2CCC[C@H](NS(=O)(=O)c3cccc(F)c3)C2)CC1 ZINC000602791026 568041319 /nfs/dbraw/zinc/04/13/19/568041319.db2.gz BTZQGEPLBKILPP-HNNXBMFYSA-N 1 2 351.447 2.262 20 30 FEEDLO N#Cc1cc(C[NH+]2CCOCC2)cn(CCCCC2CCOCC2)c1=O ZINC000568713850 568139788 /nfs/dbraw/zinc/13/97/88/568139788.db2.gz JWESYMIZGJALLK-UHFFFAOYSA-N 1 2 359.470 2.149 20 30 FEEDLO CC(C)Oc1cccc(CNC(=O)C[NH+]2CCN([C@@H](C#N)C(C)C)CC2)c1 ZINC000609485880 568346131 /nfs/dbraw/zinc/34/61/31/568346131.db2.gz ZGMATPFCHNAFLX-FQEVSTJZSA-N 1 2 372.513 2.256 20 30 FEEDLO N#Cc1cccc(C[NH+]2CCN(c3ccc(-c4nn[nH]n4)cc3F)CC2)c1 ZINC000737722044 598256887 /nfs/dbraw/zinc/25/68/87/598256887.db2.gz FDPIXPNQWIPAEX-UHFFFAOYSA-N 1 2 363.400 2.200 20 30 FEEDLO C#CC[NH+]1CCC(C(=O)OCC(=O)c2ccnc(C(F)(F)F)c2)CC1 ZINC000808517753 674461343 /nfs/dbraw/zinc/46/13/43/674461343.db2.gz MAXYXQNTDQPLOD-UHFFFAOYSA-N 1 2 354.328 2.172 20 30 FEEDLO C#C[C@H](NC(=O)NCC[N@@H+]1CCO[C@@H](C)C1)c1ccc(Cl)cc1F ZINC000812021744 674647557 /nfs/dbraw/zinc/64/75/57/674647557.db2.gz ZKNJAMAJHMDXFG-LRDDRELGSA-N 1 2 353.825 2.173 20 30 FEEDLO C#C[C@H](NC(=O)NCC[N@H+]1CCO[C@@H](C)C1)c1ccc(Cl)cc1F ZINC000812021744 674647560 /nfs/dbraw/zinc/64/75/60/674647560.db2.gz ZKNJAMAJHMDXFG-LRDDRELGSA-N 1 2 353.825 2.173 20 30 FEEDLO C[N@H+](Cc1ccccc1)C1CN(S(=O)(=O)c2ccc(C#N)cc2F)C1 ZINC000563554462 674907927 /nfs/dbraw/zinc/90/79/27/674907927.db2.gz VIMMRGARSRUOHX-UHFFFAOYSA-N 1 2 359.426 2.202 20 30 FEEDLO C[N@@H+](Cc1ccccc1)C1CN(S(=O)(=O)c2ccc(C#N)cc2F)C1 ZINC000563554462 674907932 /nfs/dbraw/zinc/90/79/32/674907932.db2.gz VIMMRGARSRUOHX-UHFFFAOYSA-N 1 2 359.426 2.202 20 30 FEEDLO CON=CC(=O)N(CCn1cc[nH+]c1)Cc1ccccc1Br ZINC000816514493 675061687 /nfs/dbraw/zinc/06/16/87/675061687.db2.gz ZUKXENMRZZRWDD-UHFFFAOYSA-N 1 2 365.231 2.307 20 30 FEEDLO C=C(C)C[N@@H+](CC)CC(=O)N([C@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000048617341 670269915 /nfs/dbraw/zinc/26/99/15/670269915.db2.gz XFXKPQFLBLLATN-KRWDZBQOSA-N 1 2 356.532 2.233 20 30 FEEDLO C=C(C)C[N@H+](CC)CC(=O)N([C@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000048617341 670269919 /nfs/dbraw/zinc/26/99/19/670269919.db2.gz XFXKPQFLBLLATN-KRWDZBQOSA-N 1 2 356.532 2.233 20 30 FEEDLO C=C[C@](C)(O)CC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000569895509 670629805 /nfs/dbraw/zinc/62/98/05/670629805.db2.gz QJMPBNMNVZMHEZ-NXHRZFHOSA-N 1 2 352.862 2.155 20 30 FEEDLO C=C[C@](C)(O)CC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000569895509 670629809 /nfs/dbraw/zinc/62/98/09/670629809.db2.gz QJMPBNMNVZMHEZ-NXHRZFHOSA-N 1 2 352.862 2.155 20 30 FEEDLO C[N@H+](CCC#N)C[C@H](O)CNc1ccc(NC(=O)CC(F)(F)F)cc1 ZINC000566127823 675184339 /nfs/dbraw/zinc/18/43/39/675184339.db2.gz FJDWDHIUBXNSEJ-CQSZACIVSA-N 1 2 358.364 2.196 20 30 FEEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1ccc(NC(=O)CC(F)(F)F)cc1 ZINC000566127823 675184342 /nfs/dbraw/zinc/18/43/42/675184342.db2.gz FJDWDHIUBXNSEJ-CQSZACIVSA-N 1 2 358.364 2.196 20 30 FEEDLO COCC[N@H+](Cc1cccc(OCCCC#N)c1)[C@H]1CCS(=O)(=O)C1 ZINC000574961855 671289011 /nfs/dbraw/zinc/28/90/11/671289011.db2.gz NIUYJMWHOIVDKV-KRWDZBQOSA-N 1 2 366.483 2.005 20 30 FEEDLO COCC[N@@H+](Cc1cccc(OCCCC#N)c1)[C@H]1CCS(=O)(=O)C1 ZINC000574961855 671289012 /nfs/dbraw/zinc/28/90/12/671289012.db2.gz NIUYJMWHOIVDKV-KRWDZBQOSA-N 1 2 366.483 2.005 20 30 FEEDLO Cc1cc(C(N)=[NH+]OCc2cccc(S(=O)(=O)N(C)C)c2)ccc1F ZINC000121068298 671941959 /nfs/dbraw/zinc/94/19/59/671941959.db2.gz BZXSUGXLYAVMGO-UHFFFAOYSA-N 1 2 365.430 2.222 20 30 FEEDLO O=C(C#Cc1ccc2c(c1)OCO2)N1CC[NH+](Cc2cccs2)CC1 ZINC000124895575 672003907 /nfs/dbraw/zinc/00/39/07/672003907.db2.gz HBSYKLZRPHYMLI-UHFFFAOYSA-N 1 2 354.431 2.173 20 30 FEEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1c1ncc(Br)cc1C#N ZINC000582587099 672015673 /nfs/dbraw/zinc/01/56/73/672015673.db2.gz ZZSSBYROXFZINK-BXUZGUMPSA-N 1 2 351.248 2.015 20 30 FEEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCc1ccc(C#N)c(Cl)c1 ZINC000588192297 672456659 /nfs/dbraw/zinc/45/66/59/672456659.db2.gz BXTLZSRJXSIHKW-CJNGLKHVSA-N 1 2 362.861 2.216 20 30 FEEDLO CC[N@@H+]1CCN(S(=O)(=O)c2cc(Br)ccc2C#N)C[C@H]1C ZINC000591327376 672670707 /nfs/dbraw/zinc/67/07/07/672670707.db2.gz KKXWFKRTPHFUNN-LLVKDONJSA-N 1 2 372.288 2.035 20 30 FEEDLO CC[N@H+]1CCN(S(=O)(=O)c2cc(Br)ccc2C#N)C[C@H]1C ZINC000591327376 672670709 /nfs/dbraw/zinc/67/07/09/672670709.db2.gz KKXWFKRTPHFUNN-LLVKDONJSA-N 1 2 372.288 2.035 20 30 FEEDLO C[N@@H+]1CCc2nc(NC(=O)CSCC(=O)N3CCCCC3)sc2C1 ZINC000328925498 673069496 /nfs/dbraw/zinc/06/94/96/673069496.db2.gz DXLNDZVKUSTMLH-UHFFFAOYSA-N 1 2 368.528 2.465 20 30 FEEDLO C[N@H+]1CCc2nc(NC(=O)CSCC(=O)N3CCCCC3)sc2C1 ZINC000328925498 673069503 /nfs/dbraw/zinc/06/95/03/673069503.db2.gz DXLNDZVKUSTMLH-UHFFFAOYSA-N 1 2 368.528 2.465 20 30 FEEDLO CCOc1cc(C[NH2+][C@H]2CCC[C@H]2C#N)nc2nc(C(F)(F)F)nn21 ZINC000329594651 673079777 /nfs/dbraw/zinc/07/97/77/673079777.db2.gz ORQGQLGWMNPGDY-ONGXEEELSA-N 1 2 354.336 2.324 20 30 FEEDLO CN(CCC#N)C(=O)CC[N@H+]1CCOc2cc(Br)ccc2C1 ZINC000595877061 673333367 /nfs/dbraw/zinc/33/33/67/673333367.db2.gz OBOCLUFACHCRCF-UHFFFAOYSA-N 1 2 366.259 2.406 20 30 FEEDLO CN(CCC#N)C(=O)CC[N@@H+]1CCOc2cc(Br)ccc2C1 ZINC000595877061 673333363 /nfs/dbraw/zinc/33/33/63/673333363.db2.gz OBOCLUFACHCRCF-UHFFFAOYSA-N 1 2 366.259 2.406 20 30 FEEDLO C=CC[C@H](CO)CNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000537111536 673383033 /nfs/dbraw/zinc/38/30/33/673383033.db2.gz BJARSQDWDYFZDD-JCURWCKSSA-N 1 2 353.413 2.194 20 30 FEEDLO C=CC[C@H](CO)CNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000537111536 673383035 /nfs/dbraw/zinc/38/30/35/673383035.db2.gz BJARSQDWDYFZDD-JCURWCKSSA-N 1 2 353.413 2.194 20 30 FEEDLO N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CC(n2cc[nH+]c2)C1 ZINC000542983496 673619185 /nfs/dbraw/zinc/61/91/85/673619185.db2.gz GRLABFGBYRQMFH-UHFFFAOYSA-N 1 2 356.329 2.019 20 30 FEEDLO C[C@@H](c1ccsc1)[NH+]1CCN(C[C@@H](O)CC2(C#N)CCOCC2)CC1 ZINC000599360007 673663442 /nfs/dbraw/zinc/66/34/42/673663442.db2.gz IZQZPGDSPZRROU-WMZOPIPTSA-N 1 2 363.527 2.498 20 30 FEEDLO C[C@H](c1ccsc1)[NH+]1CCN(C[C@@H](O)CC2(C#N)CCOCC2)CC1 ZINC000599360004 673663549 /nfs/dbraw/zinc/66/35/49/673663549.db2.gz IZQZPGDSPZRROU-AEFFLSMTSA-N 1 2 363.527 2.498 20 30 FEEDLO COC(=O)c1cn([C@H]2CCC[N@H+](CC#Cc3ccccc3Cl)C2)nn1 ZINC000547295128 673840586 /nfs/dbraw/zinc/84/05/86/673840586.db2.gz WEKKHRIKEOXUGD-HNNXBMFYSA-N 1 2 358.829 2.407 20 30 FEEDLO COC(=O)c1cn([C@H]2CCC[N@@H+](CC#Cc3ccccc3Cl)C2)nn1 ZINC000547295128 673840587 /nfs/dbraw/zinc/84/05/87/673840587.db2.gz WEKKHRIKEOXUGD-HNNXBMFYSA-N 1 2 358.829 2.407 20 30 FEEDLO CC(C)(CNS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1)n1cc[nH+]c1 ZINC000601526133 673877785 /nfs/dbraw/zinc/87/77/85/673877785.db2.gz IRAKIDWZBGBSSW-UHFFFAOYSA-N 1 2 372.372 2.487 20 30 FEEDLO N#Cc1cnc(C(=O)N2CC[NH+](CCc3ccncc3)CC2)c(Cl)c1 ZINC000602199756 673903127 /nfs/dbraw/zinc/90/31/27/673903127.db2.gz RAKFTKISGUNDTR-UHFFFAOYSA-N 1 2 355.829 2.002 20 30 FEEDLO C#C[C@H](NC(=O)N(C)CC[NH+]1CCOCC1)c1ccc(Cl)cc1F ZINC000820737660 675383651 /nfs/dbraw/zinc/38/36/51/675383651.db2.gz INQQXCNDQQNFCX-INIZCTEOSA-N 1 2 353.825 2.127 20 30 FEEDLO COc1cc(Br)cc(OC)c1OC[C@H](O)C[N@H+](C)CCC#N ZINC000568853055 675405375 /nfs/dbraw/zinc/40/53/75/675405375.db2.gz XRPQGCUXAGTROO-GFCCVEGCSA-N 1 2 373.247 2.051 20 30 FEEDLO COc1cc(Br)cc(OC)c1OC[C@H](O)C[N@@H+](C)CCC#N ZINC000568853055 675405376 /nfs/dbraw/zinc/40/53/76/675405376.db2.gz XRPQGCUXAGTROO-GFCCVEGCSA-N 1 2 373.247 2.051 20 30 FEEDLO Cc1cccn2cc(CCNS(=O)(=O)c3ccc(C#N)c(C)c3)[nH+]c12 ZINC000618177895 676323215 /nfs/dbraw/zinc/32/32/15/676323215.db2.gz RLFDNNKDPHEUBM-UHFFFAOYSA-N 1 2 354.435 2.344 20 30 FEEDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NCc1ccc(C#N)c(Cl)c1 ZINC000619826835 676396613 /nfs/dbraw/zinc/39/66/13/676396613.db2.gz LEQBLYSGKVAUMF-ZDUSSCGKSA-N 1 2 350.850 2.074 20 30 FEEDLO C=CCOc1ccc(C[N@H+]2CCc3c(cccc3S(N)(=O)=O)C2)cc1 ZINC000639395159 677159269 /nfs/dbraw/zinc/15/92/69/677159269.db2.gz ZCAVGUNJKCSCGV-UHFFFAOYSA-N 1 2 358.463 2.457 20 30 FEEDLO C=CCOc1ccc(C[N@@H+]2CCc3c(cccc3S(N)(=O)=O)C2)cc1 ZINC000639395159 677159270 /nfs/dbraw/zinc/15/92/70/677159270.db2.gz ZCAVGUNJKCSCGV-UHFFFAOYSA-N 1 2 358.463 2.457 20 30 FEEDLO CON1CCC([N@H+](C)CC(=O)[C@H](C#N)c2nc3ccccc3s2)CC1 ZINC000839130689 680740214 /nfs/dbraw/zinc/74/02/14/680740214.db2.gz ABYDBVATOUAOOC-AWEZNQCLSA-N 1 2 358.467 2.430 20 30 FEEDLO CON1CCC([N@@H+](C)CC(=O)[C@H](C#N)c2nc3ccccc3s2)CC1 ZINC000839130689 680740217 /nfs/dbraw/zinc/74/02/17/680740217.db2.gz ABYDBVATOUAOOC-AWEZNQCLSA-N 1 2 358.467 2.430 20 30 FEEDLO CN(C(=O)C[N@H+](C)CCNC(=O)OC(C)(C)C)C1(C#N)CCCCC1 ZINC000839134465 680740496 /nfs/dbraw/zinc/74/04/96/680740496.db2.gz OISKBIOHJXCYFJ-UHFFFAOYSA-N 1 2 352.479 2.128 20 30 FEEDLO CN(C(=O)C[N@@H+](C)CCNC(=O)OC(C)(C)C)C1(C#N)CCCCC1 ZINC000839134465 680740497 /nfs/dbraw/zinc/74/04/97/680740497.db2.gz OISKBIOHJXCYFJ-UHFFFAOYSA-N 1 2 352.479 2.128 20 30 FEEDLO C=CCCn1cc(C[NH2+][C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)nn1 ZINC000657364687 677996875 /nfs/dbraw/zinc/99/68/75/677996875.db2.gz YXCLFNFQOHCWAW-CVEARBPZSA-N 1 2 354.376 2.478 20 30 FEEDLO C=CCCn1cc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)nn1 ZINC000657364690 677996967 /nfs/dbraw/zinc/99/69/67/677996967.db2.gz YXCLFNFQOHCWAW-JKSUJKDBSA-N 1 2 354.376 2.478 20 30 FEEDLO Cc1ncsc1CCON=C(N)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000748097164 679930471 /nfs/dbraw/zinc/93/04/71/679930471.db2.gz DKJPAYAFFDXNBR-UHFFFAOYSA-N 1 2 360.483 2.163 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2c(C)nn(C)c2Cl)C1 ZINC001014458789 680036682 /nfs/dbraw/zinc/03/66/82/680036682.db2.gz IXYBJDPJAXILMI-LZWOXQAQSA-N 1 2 366.893 2.054 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2c(C)nn(C)c2Cl)C1 ZINC001014458789 680036690 /nfs/dbraw/zinc/03/66/90/680036690.db2.gz IXYBJDPJAXILMI-LZWOXQAQSA-N 1 2 366.893 2.054 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@]12CCC[C@@H]1[N@H+](Cc1cnns1)CC2 ZINC000990745051 680071843 /nfs/dbraw/zinc/07/18/43/680071843.db2.gz XBEQJOFUVQQFHM-CVYDXHPNSA-N 1 2 362.499 2.133 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@]12CCC[C@@H]1[N@@H+](Cc1cnns1)CC2 ZINC000990745051 680071850 /nfs/dbraw/zinc/07/18/50/680071850.db2.gz XBEQJOFUVQQFHM-CVYDXHPNSA-N 1 2 362.499 2.133 20 30 FEEDLO C=C(Cl)C(C)(C)C(=O)N1CC[C@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@H]2C1 ZINC000975723049 680083371 /nfs/dbraw/zinc/08/33/71/680083371.db2.gz JGDFEEXSXSUHKG-GJZGRUSLSA-N 1 2 364.877 2.111 20 30 FEEDLO C=CCN1C(=S)N=NC1c1sc(NC(=O)C[C@H]([NH3+])C(F)F)nc1C ZINC000912215581 685332151 /nfs/dbraw/zinc/33/21/51/685332151.db2.gz XDHWFQRQDRFHEO-ZETCQYMHSA-N 1 2 374.442 2.106 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([NH2+]Cc2nnsc2Cl)CC1 ZINC000997079560 680346869 /nfs/dbraw/zinc/34/68/69/680346869.db2.gz HZIZEDKUTORUHB-JSGCOSHPSA-N 1 2 370.906 2.253 20 30 FEEDLO C=C(Br)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001028033711 680367600 /nfs/dbraw/zinc/36/76/00/680367600.db2.gz MVJNNEIEOACQGF-ZQDZILKHSA-N 1 2 357.292 2.291 20 30 FEEDLO C=C(Br)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001028033711 680367604 /nfs/dbraw/zinc/36/76/04/680367604.db2.gz MVJNNEIEOACQGF-ZQDZILKHSA-N 1 2 357.292 2.291 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1C[N@H+](Cc2csc(C)c2)CCO1 ZINC001035370858 680445297 /nfs/dbraw/zinc/44/52/97/680445297.db2.gz QPOJOJRZFSLYPJ-KSZLIROESA-N 1 2 364.511 2.355 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1C[N@@H+](Cc2csc(C)c2)CCO1 ZINC001035370858 680445302 /nfs/dbraw/zinc/44/53/02/680445302.db2.gz QPOJOJRZFSLYPJ-KSZLIROESA-N 1 2 364.511 2.355 20 30 FEEDLO C=C(Br)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[C@H]2c2ccnn2C)C1 ZINC001046499441 680649877 /nfs/dbraw/zinc/64/98/77/680649877.db2.gz UWKJSFNAXZQNHQ-XJKCOSOUSA-N 1 2 367.291 2.013 20 30 FEEDLO C=C(Br)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[C@H]2c2ccnn2C)C1 ZINC001046499441 680649878 /nfs/dbraw/zinc/64/98/78/680649878.db2.gz UWKJSFNAXZQNHQ-XJKCOSOUSA-N 1 2 367.291 2.013 20 30 FEEDLO COc1cc(C#N)ccc1S(=O)(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000766487974 680878840 /nfs/dbraw/zinc/87/88/40/680878840.db2.gz XGWGNVDUJAMCPK-UHFFFAOYSA-N 1 2 361.423 2.066 20 30 FEEDLO C=CCN1C(=S)N=NC1c1sc(NC(=O)C[NH+]2CCCC2)nc1C ZINC000874446517 685390611 /nfs/dbraw/zinc/39/06/11/685390611.db2.gz NRXMGFRSFSIQRP-UHFFFAOYSA-N 1 2 364.500 2.219 20 30 FEEDLO CSCCNC(=S)N[NH+]=C(C)c1ccc(N2CCOCC2)cc1 ZINC000769591840 680988224 /nfs/dbraw/zinc/98/82/24/680988224.db2.gz CKVYIPDRYJKAEV-UHFFFAOYSA-N 1 2 352.529 2.074 20 30 FEEDLO C#C[C@H](C)[N@@H+](C)Cc1nc2cc(S(=O)(=O)N(C)C)ccc2n1CCC ZINC000769962161 681001687 /nfs/dbraw/zinc/00/16/87/681001687.db2.gz YTHUIOSRAYGAEX-AWEZNQCLSA-N 1 2 362.499 2.150 20 30 FEEDLO C#C[C@H](C)[N@H+](C)Cc1nc2cc(S(=O)(=O)N(C)C)ccc2n1CCC ZINC000769962161 681001688 /nfs/dbraw/zinc/00/16/88/681001688.db2.gz YTHUIOSRAYGAEX-AWEZNQCLSA-N 1 2 362.499 2.150 20 30 FEEDLO C#CC[C@H]([NH2+][C@@H]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1)C(=O)OC ZINC000843411219 681002554 /nfs/dbraw/zinc/00/25/54/681002554.db2.gz JOVOHZHKILOBNS-JJXSEGSLSA-N 1 2 350.459 2.177 20 30 FEEDLO C#CC[C@H]([NH2+][C@@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1)C(=O)OC ZINC000843411218 681002600 /nfs/dbraw/zinc/00/26/00/681002600.db2.gz JOVOHZHKILOBNS-FPCVCCKLSA-N 1 2 350.459 2.177 20 30 FEEDLO C[N@H+](CC(=O)OCC(=O)Nc1cc(Cl)ccc1C#N)[C@H]1CCSC1 ZINC000772059263 681082888 /nfs/dbraw/zinc/08/28/88/681082888.db2.gz HBXIAKZCUBIWLJ-ZDUSSCGKSA-N 1 2 367.858 2.131 20 30 FEEDLO C[N@@H+](CC(=O)OCC(=O)Nc1cc(Cl)ccc1C#N)[C@H]1CCSC1 ZINC000772059263 681082889 /nfs/dbraw/zinc/08/28/89/681082889.db2.gz HBXIAKZCUBIWLJ-ZDUSSCGKSA-N 1 2 367.858 2.131 20 30 FEEDLO N#Cc1nc(N[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)sc1Cl ZINC001056810582 681156816 /nfs/dbraw/zinc/15/68/16/681156816.db2.gz RMYLJGNQTCVCCF-OPRDCNLKSA-N 1 2 362.846 2.208 20 30 FEEDLO N#Cc1nc(N[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)sc1Cl ZINC001056810582 681156817 /nfs/dbraw/zinc/15/68/17/681156817.db2.gz RMYLJGNQTCVCCF-OPRDCNLKSA-N 1 2 362.846 2.208 20 30 FEEDLO N#Cc1cnc(N[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)c(Cl)c1 ZINC001056810433 681156837 /nfs/dbraw/zinc/15/68/37/681156837.db2.gz MSOAWIPGOLFLPO-JHJVBQTASA-N 1 2 356.817 2.146 20 30 FEEDLO N#Cc1cnc(N[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)c(Cl)c1 ZINC001056810433 681156838 /nfs/dbraw/zinc/15/68/38/681156838.db2.gz MSOAWIPGOLFLPO-JHJVBQTASA-N 1 2 356.817 2.146 20 30 FEEDLO Cn1cc([C@H]2CSCCC[N@@H+]2CC(=O)Nc2ccc(C#N)cc2)cn1 ZINC000933986693 681492891 /nfs/dbraw/zinc/49/28/91/681492891.db2.gz UQCDPCCTOHAMDW-QGZVFWFLSA-N 1 2 355.467 2.410 20 30 FEEDLO Cn1cc([C@H]2CSCCC[N@H+]2CC(=O)Nc2ccc(C#N)cc2)cn1 ZINC000933986693 681492893 /nfs/dbraw/zinc/49/28/93/681492893.db2.gz UQCDPCCTOHAMDW-QGZVFWFLSA-N 1 2 355.467 2.410 20 30 FEEDLO Cc1nn(-c2cccc(Br)c2)cc1C=NNC1=[NH+]C[C@@H](C)N1 ZINC000848408301 681536776 /nfs/dbraw/zinc/53/67/76/681536776.db2.gz ITBQUHAODMEZPW-SNVBAGLBSA-N 1 2 361.247 2.214 20 30 FEEDLO C[C@H]1CCCCN1C(=O)CO[NH+]=C(N)c1ccc(Br)cc1 ZINC000782948636 682098097 /nfs/dbraw/zinc/09/80/97/682098097.db2.gz NFGBXDRGJUABOL-NSHDSACASA-N 1 2 354.248 2.487 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](Cc2cnns2)CC1(C)C ZINC000941092535 682103696 /nfs/dbraw/zinc/10/36/96/682103696.db2.gz FMQJZPGIWMHQEO-XHSDSOJGSA-N 1 2 364.515 2.236 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2cnns2)CC1(C)C ZINC000941092535 682103700 /nfs/dbraw/zinc/10/37/00/682103700.db2.gz FMQJZPGIWMHQEO-XHSDSOJGSA-N 1 2 364.515 2.236 20 30 FEEDLO C#CCOCCNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000784391090 682222404 /nfs/dbraw/zinc/22/24/04/682222404.db2.gz VTSHZZMFTHBIBY-HZPDHXFCSA-N 1 2 353.825 2.173 20 30 FEEDLO C#CCOCCNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000784391090 682222407 /nfs/dbraw/zinc/22/24/07/682222407.db2.gz VTSHZZMFTHBIBY-HZPDHXFCSA-N 1 2 353.825 2.173 20 30 FEEDLO C[C@H](NC(=O)[C@]12C[C@H]1COC2)C1C[NH+](CC#Cc2ccccc2Cl)C1 ZINC000969712333 682274138 /nfs/dbraw/zinc/27/41/38/682274138.db2.gz BZOUXIYKPLVWSH-VHFSOBRXSA-N 1 2 358.869 2.165 20 30 FEEDLO C#CCNC(=O)CN1CC[NH+](Cc2sc3ccccc3c2Cl)CC1 ZINC000796051940 683122936 /nfs/dbraw/zinc/12/29/36/683122936.db2.gz FUVXVNKUTDXNIS-UHFFFAOYSA-N 1 2 361.898 2.422 20 30 FEEDLO C[C@](O)(C[NH+]1CCN(c2cc(C#N)ccn2)CC1)C(F)(F)C(F)(F)F ZINC000929270562 683571606 /nfs/dbraw/zinc/57/16/06/683571606.db2.gz UDHPYAHCASNWIQ-ZDUSSCGKSA-N 1 2 364.318 2.024 20 30 FEEDLO C#CCNC(=O)C1CC[NH+](Cc2cnc(Br)c(C)c2)CC1 ZINC000929418346 683592731 /nfs/dbraw/zinc/59/27/31/683592731.db2.gz NOLVVMQXKRRLCW-UHFFFAOYSA-N 1 2 350.260 2.114 20 30 FEEDLO C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000865878530 684040141 /nfs/dbraw/zinc/04/01/41/684040141.db2.gz QRPXTRSNKBKBNW-CYBMUJFWSA-N 1 2 354.838 2.302 20 30 FEEDLO Cc1nn(C)c2nc(Cl)cc(N=NCC(C)(C)[NH+]3CCOCC3)c12 ZINC000872422461 684946189 /nfs/dbraw/zinc/94/61/89/684946189.db2.gz OCPBAVMHMYYUGU-UHFFFAOYSA-N 1 2 350.854 2.439 20 30 FEEDLO CSC1([C@H](C#N)N(C)C(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000876452257 686205864 /nfs/dbraw/zinc/20/58/64/686205864.db2.gz OCWCIJLXIFVFGU-SJORKVTESA-N 1 2 359.495 2.134 20 30 FEEDLO CSC1([C@H](C#N)N(C)C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000876452257 686205865 /nfs/dbraw/zinc/20/58/65/686205865.db2.gz OCWCIJLXIFVFGU-SJORKVTESA-N 1 2 359.495 2.134 20 30 FEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@H]1Cc1ccccc1Cl ZINC000884102318 687789642 /nfs/dbraw/zinc/78/96/42/687789642.db2.gz YFSPRUSVBBACIR-HOCLYGCPSA-N 1 2 350.846 2.320 20 30 FEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)[C@@H](C)c1ccccc1Br ZINC000884329638 687849978 /nfs/dbraw/zinc/84/99/78/687849978.db2.gz RTNAFFQXRRDWDD-FZMZJTMJSA-N 1 2 369.259 2.415 20 30 FEEDLO Oc1c(F)cc(Br)cc1C=NNC1=[NH+][C@@H]2CCCC[C@@H]2N1 ZINC000884443016 687871853 /nfs/dbraw/zinc/87/18/53/687871853.db2.gz XOGYDOAZGNDTKM-TXEJJXNPSA-N 1 2 355.211 2.488 20 30 FEEDLO N#Cc1cnc(N2CC[NH+](CCc3ccncc3)CC2)c(Br)c1 ZINC000894845574 689607424 /nfs/dbraw/zinc/60/74/24/689607424.db2.gz DQWDXBHVECPWCU-UHFFFAOYSA-N 1 2 372.270 2.475 20 30 FEEDLO COc1cc([C@H](C)[NH2+]Cc2nc(C#N)cs2)ccc1S(C)(=O)=O ZINC000903265180 690876907 /nfs/dbraw/zinc/87/69/07/690876907.db2.gz YKBJFFXAFIMNSN-JTQLQIEISA-N 1 2 351.453 2.278 20 30 FEEDLO N#Cc1cc(C(F)(F)N2CC[NH+](C[C@H]3CCCO3)CC2)cnc1Cl ZINC001165036958 721910336 /nfs/dbraw/zinc/91/03/36/721910336.db2.gz DZZROPIZWHPLES-CQSZACIVSA-N 1 2 356.804 2.453 20 30 FEEDLO COc1ccccc1C[NH+]1CCN(C(=O)CNc2ccc(C#N)cc2)CC1 ZINC000076227076 542247845 /nfs/dbraw/zinc/24/78/45/542247845.db2.gz GQXHGAGRQDHUEN-UHFFFAOYSA-N 1 2 364.449 2.323 20 30 FEEDLO CC(C)(C)OC(=O)NCCC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000017843693 539643698 /nfs/dbraw/zinc/64/36/98/539643698.db2.gz CWLTYDZERKVDOQ-UHFFFAOYSA-N 1 2 372.469 2.117 20 30 FEEDLO C[C@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN(Cc3ccc(C#N)cc3F)CC2)C1 ZINC000022848414 539700611 /nfs/dbraw/zinc/70/06/11/539700611.db2.gz UGSFHOXUKHATOE-IRXDYDNUSA-N 1 2 372.488 2.319 20 30 FEEDLO N#Cc1ccc(OC[C@H](O)C[NH+]2CCN(Cc3cccs3)CC2)cc1 ZINC000025232205 539751793 /nfs/dbraw/zinc/75/17/93/539751793.db2.gz GOYLLCLXRFSCMG-QGZVFWFLSA-N 1 2 357.479 2.177 20 30 FEEDLO N#Cc1cccc(C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)c1 ZINC000027610922 539812164 /nfs/dbraw/zinc/81/21/64/539812164.db2.gz RFOKUSBOIRFYFB-UHFFFAOYSA-N 1 2 352.413 2.249 20 30 FEEDLO C[C@H](C(=O)N1CCc2ccccc21)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000029445304 539853354 /nfs/dbraw/zinc/85/33/54/539853354.db2.gz IPLNGLILNQYZCE-MRXNPFEDSA-N 1 2 361.449 2.053 20 30 FEEDLO Cc1noc2ncc(C(=O)N3CC[NH+](Cc4ccc(C#N)cc4)CC3)cc12 ZINC000030925288 539894297 /nfs/dbraw/zinc/89/42/97/539894297.db2.gz KSLJKVVWUHCWAH-UHFFFAOYSA-N 1 2 361.405 2.361 20 30 FEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000042133573 540052952 /nfs/dbraw/zinc/05/29/52/540052952.db2.gz QEVHOJGRWDDOCT-MRXNPFEDSA-N 1 2 356.445 2.408 20 30 FEEDLO CCC[N@H+](CC(=O)Nc1ccccc1OC)CC(=O)N[C@@](C)(C#N)C(C)C ZINC000042979039 540084741 /nfs/dbraw/zinc/08/47/41/540084741.db2.gz OETFJOLKBGUFQU-FQEVSTJZSA-N 1 2 374.485 2.400 20 30 FEEDLO CCC[N@@H+](CC(=O)Nc1ccccc1OC)CC(=O)N[C@@](C)(C#N)C(C)C ZINC000042979039 540084745 /nfs/dbraw/zinc/08/47/45/540084745.db2.gz OETFJOLKBGUFQU-FQEVSTJZSA-N 1 2 374.485 2.400 20 30 FEEDLO C[C@@H]1CN(c2ccc(CNC(=O)c3cccc(CC#N)c3)c[nH+]2)CCO1 ZINC000044553121 540130435 /nfs/dbraw/zinc/13/04/35/540130435.db2.gz CCEUBNMXOYMNIM-OAHLLOKOSA-N 1 2 350.422 2.303 20 30 FEEDLO C=CCCCN(C)C(=O)C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000550417042 674094158 /nfs/dbraw/zinc/09/41/58/674094158.db2.gz WWDAHSZHEABXLY-MRXNPFEDSA-N 1 2 351.878 2.484 20 30 FEEDLO CCCC[N@H+](CC(N)=O)CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000045804965 540229482 /nfs/dbraw/zinc/22/94/82/540229482.db2.gz WZUBSDTZHKNTLL-UHFFFAOYSA-N 1 2 362.499 2.415 20 30 FEEDLO CCCC[N@@H+](CC(N)=O)CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000045804965 540229483 /nfs/dbraw/zinc/22/94/83/540229483.db2.gz WZUBSDTZHKNTLL-UHFFFAOYSA-N 1 2 362.499 2.415 20 30 FEEDLO C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000052442376 540466710 /nfs/dbraw/zinc/46/67/10/540466710.db2.gz ITGBPIFTHMGORC-BRWVUGGUSA-N 1 2 355.486 2.253 20 30 FEEDLO Cc1ccc2c(c1)c(=O)n(C)c1nnc(C[N@H+](C)Cc3cccc(C#N)c3)n12 ZINC000052580243 540474810 /nfs/dbraw/zinc/47/48/10/540474810.db2.gz UQKIARPDUOBORG-UHFFFAOYSA-N 1 2 372.432 2.393 20 30 FEEDLO Cc1ccc2c(c1)c(=O)n(C)c1nnc(C[N@@H+](C)Cc3cccc(C#N)c3)n12 ZINC000052580243 540474814 /nfs/dbraw/zinc/47/48/14/540474814.db2.gz UQKIARPDUOBORG-UHFFFAOYSA-N 1 2 372.432 2.393 20 30 FEEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN([C@H](C)c2nc(-c3ccccc3)no2)CC1 ZINC000052775766 540488514 /nfs/dbraw/zinc/48/85/14/540488514.db2.gz GDPWHYYHEYIGEM-HZPDHXFCSA-N 1 2 369.469 2.106 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCCOc3ccccc3)CC2)cc1 ZINC000053530420 540541385 /nfs/dbraw/zinc/54/13/85/540541385.db2.gz HVEZOUDZDXJQAC-UHFFFAOYSA-N 1 2 364.449 2.464 20 30 FEEDLO COc1ccccc1N1CC[NH+](CC(=O)Nc2cccc(C#N)c2)CC1 ZINC000054277303 540580236 /nfs/dbraw/zinc/58/02/36/540580236.db2.gz HKRBYNWEILBADR-UHFFFAOYSA-N 1 2 350.422 2.328 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](CC(N)=O)C2CCCC2)c1 ZINC000054989705 540620470 /nfs/dbraw/zinc/62/04/70/540620470.db2.gz VAQZRICEJXPWPM-UHFFFAOYSA-N 1 2 356.470 2.280 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+](CC(N)=O)C2CCCC2)c1 ZINC000054989705 540620473 /nfs/dbraw/zinc/62/04/73/540620473.db2.gz VAQZRICEJXPWPM-UHFFFAOYSA-N 1 2 356.470 2.280 20 30 FEEDLO CN(C)c1ccc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cn1 ZINC000055080200 540626459 /nfs/dbraw/zinc/62/64/59/540626459.db2.gz KRKVVGDDJREREA-UHFFFAOYSA-N 1 2 364.453 2.369 20 30 FEEDLO N#Cc1ccccc1S(=O)(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000057018885 540763338 /nfs/dbraw/zinc/76/33/38/540763338.db2.gz GSUXTRGCFMSLMM-UHFFFAOYSA-N 1 2 361.492 2.169 20 30 FEEDLO NC(=[NH+]OCC(=O)N1CCCCC1)c1cccc(OCc2cccnc2)c1 ZINC000060197461 540869464 /nfs/dbraw/zinc/86/94/64/540869464.db2.gz GDBRDHCAGSSWFB-UHFFFAOYSA-N 1 2 368.437 2.310 20 30 FEEDLO Cc1csc(N2CC[NH+](CC(=O)N(C)C3(C#N)CCCCC3)CC2)n1 ZINC000061159985 541127127 /nfs/dbraw/zinc/12/71/27/541127127.db2.gz USGUQXIDYSKDMY-UHFFFAOYSA-N 1 2 361.515 2.258 20 30 FEEDLO N#Cc1cccc(OCC[NH+]2CCN(C(=O)Cc3ccccc3F)CC2)c1 ZINC000066867461 541383800 /nfs/dbraw/zinc/38/38/00/541383800.db2.gz TUZBRONDQAELSU-UHFFFAOYSA-N 1 2 367.424 2.463 20 30 FEEDLO CCCCc1nc(CON=C(N)c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000067099152 541417772 /nfs/dbraw/zinc/41/77/72/541417772.db2.gz OGXZPTDWRDQMHH-UHFFFAOYSA-N 1 2 373.457 2.082 20 30 FEEDLO Cn1cc(/C=C2\CN(c3cccc[nH+]3)C/C(=C/c3cnn(C)c3)C2=O)cn1 ZINC000071923699 541775670 /nfs/dbraw/zinc/77/56/70/541775670.db2.gz MUAFVAKQOQGGMO-ZZDPWUPLSA-N 1 2 360.421 2.105 20 30 FEEDLO C=CCOc1ccccc1CNC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000074170025 542048832 /nfs/dbraw/zinc/04/88/32/542048832.db2.gz NMWVZYVZRYTZMQ-SFHVURJKSA-N 1 2 359.470 2.258 20 30 FEEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000075636653 542195328 /nfs/dbraw/zinc/19/53/28/542195328.db2.gz MLRPBYKFVRNQLJ-MRXNPFEDSA-N 1 2 361.461 2.397 20 30 FEEDLO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1S(=O)(=O)c1ccc(C#N)cc1 ZINC000076854708 542327168 /nfs/dbraw/zinc/32/71/68/542327168.db2.gz YVHNRUYSEBMOQI-MRXNPFEDSA-N 1 2 355.463 2.453 20 30 FEEDLO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1S(=O)(=O)c1ccc(C#N)cc1 ZINC000076854708 542327171 /nfs/dbraw/zinc/32/71/71/542327171.db2.gz YVHNRUYSEBMOQI-MRXNPFEDSA-N 1 2 355.463 2.453 20 30 FEEDLO N#Cc1ccccc1N1CCC[N@@H+]([C@H](C(N)=O)c2ccc(F)cc2)CC1 ZINC000076969669 542337136 /nfs/dbraw/zinc/33/71/36/542337136.db2.gz ZDVXRSGMAABOSS-IBGZPJMESA-N 1 2 352.413 2.436 20 30 FEEDLO N#Cc1ccccc1N1CCC[N@H+]([C@H](C(N)=O)c2ccc(F)cc2)CC1 ZINC000076969669 542337139 /nfs/dbraw/zinc/33/71/39/542337139.db2.gz ZDVXRSGMAABOSS-IBGZPJMESA-N 1 2 352.413 2.436 20 30 FEEDLO Cc1cc(C#N)ccc1S(=O)(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000077385698 542376294 /nfs/dbraw/zinc/37/62/94/542376294.db2.gz NHVKTCCVEKPHCL-UHFFFAOYSA-N 1 2 356.451 2.209 20 30 FEEDLO CCC(=O)N1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000077388870 542377351 /nfs/dbraw/zinc/37/73/51/542377351.db2.gz XKNMXYJDNKETDI-ZDUSSCGKSA-N 1 2 362.861 2.483 20 30 FEEDLO CCC(=O)N1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000077388870 542377352 /nfs/dbraw/zinc/37/73/52/542377352.db2.gz XKNMXYJDNKETDI-ZDUSSCGKSA-N 1 2 362.861 2.483 20 30 FEEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC(C(=O)c2ccc(O)cc2)CC1 ZINC000079949305 542552363 /nfs/dbraw/zinc/55/23/63/542552363.db2.gz VXHVWWORNFYDCT-HNNXBMFYSA-N 1 2 357.454 2.295 20 30 FEEDLO Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000080212377 542575315 /nfs/dbraw/zinc/57/53/15/542575315.db2.gz KRICTUCHLCJGNM-UHFFFAOYSA-N 1 2 362.433 2.150 20 30 FEEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+](C)Cc1cnccn1 ZINC000080965079 542619392 /nfs/dbraw/zinc/61/93/92/542619392.db2.gz PJNXBVDYPKDVFY-OAHLLOKOSA-N 1 2 353.426 2.252 20 30 FEEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)Cc1cnccn1 ZINC000080965079 542619395 /nfs/dbraw/zinc/61/93/95/542619395.db2.gz PJNXBVDYPKDVFY-OAHLLOKOSA-N 1 2 353.426 2.252 20 30 FEEDLO Cc1cc(C)c(C#N)c(NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)n1 ZINC000080971067 542620001 /nfs/dbraw/zinc/62/00/01/542620001.db2.gz JOGRIZVBJBDYRW-UHFFFAOYSA-N 1 2 364.453 2.116 20 30 FEEDLO N#CCC[N@@H+](CC(=O)NCc1ccccc1Cn1cccn1)CC1CC1 ZINC000081514701 542662358 /nfs/dbraw/zinc/66/23/58/542662358.db2.gz LQHBHOXZPQIKGP-UHFFFAOYSA-N 1 2 351.454 2.173 20 30 FEEDLO N#CCC[N@H+](CC(=O)NCc1ccccc1Cn1cccn1)CC1CC1 ZINC000081514701 542662362 /nfs/dbraw/zinc/66/23/62/542662362.db2.gz LQHBHOXZPQIKGP-UHFFFAOYSA-N 1 2 351.454 2.173 20 30 FEEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000089152157 542758771 /nfs/dbraw/zinc/75/87/71/542758771.db2.gz LNFWMMZDBPHYOE-VIYSVWJJSA-N 1 2 363.502 2.186 20 30 FEEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000089152157 542758772 /nfs/dbraw/zinc/75/87/72/542758772.db2.gz LNFWMMZDBPHYOE-VIYSVWJJSA-N 1 2 363.502 2.186 20 30 FEEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC([C@@H](O)c2nccn2C)CC1 ZINC000089925206 542773477 /nfs/dbraw/zinc/77/34/77/542773477.db2.gz WYGRRDSRGRAULM-KBXCAEBGSA-N 1 2 367.453 2.064 20 30 FEEDLO C#CCC[NH+]1CCN(c2cnn(Cc3ccccc3)c(=O)c2Cl)CC1 ZINC000091480551 542810131 /nfs/dbraw/zinc/81/01/31/542810131.db2.gz PHSSNLLSGOYTDQ-UHFFFAOYSA-N 1 2 356.857 2.090 20 30 FEEDLO COC(=O)C[C@H]1C[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)CCO1 ZINC000093458270 542931882 /nfs/dbraw/zinc/93/18/82/542931882.db2.gz HEFFYOVLSRFXOK-SFHVURJKSA-N 1 2 368.437 2.228 20 30 FEEDLO COC(=O)C[C@H]1C[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)CCO1 ZINC000093458270 542931884 /nfs/dbraw/zinc/93/18/84/542931884.db2.gz HEFFYOVLSRFXOK-SFHVURJKSA-N 1 2 368.437 2.228 20 30 FEEDLO C=CCOc1cccc(NC(=O)N2CC[C@H]([NH+]3CCN(CC)CC3)C2)c1 ZINC000106942700 543257581 /nfs/dbraw/zinc/25/75/81/543257581.db2.gz NFBCCIHSXZKMGZ-SFHVURJKSA-N 1 2 358.486 2.495 20 30 FEEDLO Cc1cccc(CNC(=O)C[NH+]2CCN(c3cccc(F)c3C#N)CC2)c1 ZINC000111200730 543384663 /nfs/dbraw/zinc/38/46/63/543384663.db2.gz HPXTWWOUIGJPNJ-UHFFFAOYSA-N 1 2 366.440 2.444 20 30 FEEDLO N#Cc1ccc(N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)cc1 ZINC000112504272 543449862 /nfs/dbraw/zinc/44/98/62/543449862.db2.gz PWNZEAXSNPEMGD-SFHVURJKSA-N 1 2 364.453 2.266 20 30 FEEDLO N#Cc1ccc(N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)cc1 ZINC000112504272 543449865 /nfs/dbraw/zinc/44/98/65/543449865.db2.gz PWNZEAXSNPEMGD-SFHVURJKSA-N 1 2 364.453 2.266 20 30 FEEDLO Cc1ccc(O)c(C[NH+]2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 ZINC000121213008 543690945 /nfs/dbraw/zinc/69/09/45/543690945.db2.gz RCNXGTAACOVTIZ-UHFFFAOYSA-N 1 2 371.462 2.079 20 30 FEEDLO C[C@H]1CCC[C@H](NC(=O)C[NH+]2CCN(CC#Cc3ccc(F)cc3)CC2)C1 ZINC000121204138 543690954 /nfs/dbraw/zinc/69/09/54/543690954.db2.gz GOZVWAIZFMKXBN-RXVVDRJESA-N 1 2 371.500 2.490 20 30 FEEDLO CCC[N@H+](CC(=O)NC)CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000120175753 543676109 /nfs/dbraw/zinc/67/61/09/543676109.db2.gz ZIQVPJYNLOABCN-CQSZACIVSA-N 1 2 362.499 2.335 20 30 FEEDLO CCC[N@@H+](CC(=O)NC)CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000120175753 543676112 /nfs/dbraw/zinc/67/61/12/543676112.db2.gz ZIQVPJYNLOABCN-CQSZACIVSA-N 1 2 362.499 2.335 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Nc1cccc(OCCF)c1 ZINC000123212821 543748618 /nfs/dbraw/zinc/74/86/18/543748618.db2.gz HTAAQJOBJOIOQO-UHFFFAOYSA-N 1 2 364.421 2.115 20 30 FEEDLO CCCCc1noc(CON=C(N)c2cccc(C[NH+]3CCOCC3)c2)n1 ZINC000123428012 543760908 /nfs/dbraw/zinc/76/09/08/543760908.db2.gz WOKOEMHSVZHLJF-UHFFFAOYSA-N 1 2 373.457 2.082 20 30 FEEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCNC(=O)[C@@H]1c1ccccc1 ZINC000125344827 543876352 /nfs/dbraw/zinc/87/63/52/543876352.db2.gz PYMZLXKTKKBXHF-CTNGQTDRSA-N 1 2 366.461 2.328 20 30 FEEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCNC(=O)[C@@H]1c1ccccc1 ZINC000125344827 543876354 /nfs/dbraw/zinc/87/63/54/543876354.db2.gz PYMZLXKTKKBXHF-CTNGQTDRSA-N 1 2 366.461 2.328 20 30 FEEDLO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000126138948 543920584 /nfs/dbraw/zinc/92/05/84/543920584.db2.gz JEUBICOLXXBKCH-UGSOOPFHSA-N 1 2 367.453 2.102 20 30 FEEDLO C[C@H](C(=O)N(C)CCC#N)[NH+]1CCC(c2ncc(C(F)(F)F)[nH]2)CC1 ZINC000125624321 543892531 /nfs/dbraw/zinc/89/25/31/543892531.db2.gz QGVVYTFAFJJFNT-LLVKDONJSA-N 1 2 357.380 2.368 20 30 FEEDLO CCCOc1ccc(/C=[NH+]/C[C@H]2CCC[C@H]2NS(C)(=O)=O)c(O)c1 ZINC000129371563 544108821 /nfs/dbraw/zinc/10/88/21/544108821.db2.gz IPVRNEBLJFEVPW-LIRJSKHBSA-N 1 2 354.472 2.318 20 30 FEEDLO C=CC[C@H](C)[C@@H](C)[NH2+]C1CCN(S(=O)(=O)NCC(F)(F)F)CC1 ZINC000130535760 544155227 /nfs/dbraw/zinc/15/52/27/544155227.db2.gz XIITUHNKQRKGNA-NWDGAFQWSA-N 1 2 357.442 2.038 20 30 FEEDLO N#Cc1ccc(NC(=O)C(=O)NCCCCNc2cccc[nH+]2)c(F)c1 ZINC000136360442 544371711 /nfs/dbraw/zinc/37/17/11/544371711.db2.gz LIRFRTFPDBNFNL-UHFFFAOYSA-N 1 2 355.373 2.039 20 30 FEEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000139076073 544399791 /nfs/dbraw/zinc/39/97/91/544399791.db2.gz GYLZMUPGLFHXCF-OAHLLOKOSA-N 1 2 374.510 2.393 20 30 FEEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000139076073 544399793 /nfs/dbraw/zinc/39/97/93/544399793.db2.gz GYLZMUPGLFHXCF-OAHLLOKOSA-N 1 2 374.510 2.393 20 30 FEEDLO COCc1cccc(CNC(=O)CO[NH+]=C(N)c2ccc(F)c(C)c2)c1 ZINC000151297067 544525766 /nfs/dbraw/zinc/52/57/66/544525766.db2.gz CGJVCJFYBFBYFI-UHFFFAOYSA-N 1 2 359.401 2.234 20 30 FEEDLO N#Cc1cc(F)c(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)c(F)c1 ZINC000151669983 544567874 /nfs/dbraw/zinc/56/78/74/544567874.db2.gz YUNHBHSIDIAWOQ-INIZCTEOSA-N 1 2 371.387 2.467 20 30 FEEDLO N#Cc1cc(F)c(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c(F)c1 ZINC000151669983 544567876 /nfs/dbraw/zinc/56/78/76/544567876.db2.gz YUNHBHSIDIAWOQ-INIZCTEOSA-N 1 2 371.387 2.467 20 30 FEEDLO Cc1cccc2[nH+]c(CNC(=O)N3CC(Oc4ccc(C#N)cc4)C3)cn21 ZINC000152761891 544692976 /nfs/dbraw/zinc/69/29/76/544692976.db2.gz BJQSQRJZFTUERX-UHFFFAOYSA-N 1 2 361.405 2.487 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccc(OCC(F)F)cc1 ZINC000154764247 544945455 /nfs/dbraw/zinc/94/54/55/544945455.db2.gz GGYNJNPCCLAZMQ-UHFFFAOYSA-N 1 2 353.413 2.378 20 30 FEEDLO C=CCOc1ccccc1C(=O)N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC000154839261 544955609 /nfs/dbraw/zinc/95/56/09/544955609.db2.gz JZOHOWHKKNEBKY-QGZVFWFLSA-N 1 2 371.481 2.020 20 30 FEEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)c1ccccc1OCC#N ZINC000155211570 545002173 /nfs/dbraw/zinc/00/21/73/545002173.db2.gz HNYRGALRKRIDSY-UHFFFAOYSA-N 1 2 352.394 2.381 20 30 FEEDLO COc1cc(OC)cc([C@@H](NC(=O)c2c[nH]c(C#N)c2)c2[nH+]ccn2C)c1 ZINC000181178475 327719592 /nfs/dbraw/zinc/71/95/92/327719592.db2.gz KYNCKVUAQYVALP-QGZVFWFLSA-N 1 2 365.393 2.156 20 30 FEEDLO COc1ccccc1C[NH+]1CCN(C(=O)c2ccc(C#N)c(O)c2)CC1 ZINC000188213438 328073671 /nfs/dbraw/zinc/07/36/71/328073671.db2.gz BEZOWDCAHJOSAI-UHFFFAOYSA-N 1 2 351.406 2.230 20 30 FEEDLO C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)c3ccc(C#N)c(O)c3)c2)CCO1 ZINC000191000494 328244783 /nfs/dbraw/zinc/24/47/83/328244783.db2.gz JBLZIGQNJMOYHG-OAHLLOKOSA-N 1 2 365.433 2.415 20 30 FEEDLO C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)c3ccc(C#N)c(O)c3)c2)CCO1 ZINC000191000494 328244784 /nfs/dbraw/zinc/24/47/84/328244784.db2.gz JBLZIGQNJMOYHG-OAHLLOKOSA-N 1 2 365.433 2.415 20 30 FEEDLO COCCN1CCC[N@H+](Cc2cccn2Cc2ccccc2C#N)CC1=O ZINC000191704276 328277815 /nfs/dbraw/zinc/27/78/15/328277815.db2.gz CWFRALYJIJLFOH-UHFFFAOYSA-N 1 2 366.465 2.089 20 30 FEEDLO COCCN1CCC[N@@H+](Cc2cccn2Cc2ccccc2C#N)CC1=O ZINC000191704276 328277816 /nfs/dbraw/zinc/27/78/16/328277816.db2.gz CWFRALYJIJLFOH-UHFFFAOYSA-N 1 2 366.465 2.089 20 30 FEEDLO C[C@@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN(Cc3ccc(C#N)c(F)c3)CC2)C1 ZINC000191918094 328288548 /nfs/dbraw/zinc/28/85/48/328288548.db2.gz OCHGSSCPPLJARZ-CALCHBBNSA-N 1 2 372.488 2.319 20 30 FEEDLO C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)c1ccnc(C#N)c1 ZINC000193139044 328359291 /nfs/dbraw/zinc/35/92/91/328359291.db2.gz FLBNBDJMUWJVGO-KRWDZBQOSA-N 1 2 364.449 2.316 20 30 FEEDLO Cc1ccc(C#N)cc1NC(=O)C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000063826509 324868911 /nfs/dbraw/zinc/86/89/11/324868911.db2.gz NTRJIMABOWPDJD-UHFFFAOYSA-N 1 2 363.421 2.117 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+](CCO)[C@H]2CCc3ccccc32)cc1 ZINC000081513389 325179489 /nfs/dbraw/zinc/17/94/89/325179489.db2.gz IVWYQMSZRDHUKS-FQEVSTJZSA-N 1 2 370.474 2.314 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+](CCO)[C@H]2CCc3ccccc32)cc1 ZINC000081513389 325179491 /nfs/dbraw/zinc/17/94/91/325179491.db2.gz IVWYQMSZRDHUKS-FQEVSTJZSA-N 1 2 370.474 2.314 20 30 FEEDLO COC(=O)[C@@H](NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1)c1cccc(C#N)c1 ZINC000083029772 325211374 /nfs/dbraw/zinc/21/13/74/325211374.db2.gz IYBAMOHNODLOOS-MPGHIAIKSA-N 1 2 359.470 2.250 20 30 FEEDLO N#Cc1csc(C(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)c1 ZINC000084188829 325229013 /nfs/dbraw/zinc/22/90/13/325229013.db2.gz BORRURAZKZPIEN-QGZVFWFLSA-N 1 2 355.463 2.293 20 30 FEEDLO Cc1cn2c([nH+]1)CC[C@@H](NS(=O)(=O)c1cccc(Cl)c1C#N)C2 ZINC000090167934 325355615 /nfs/dbraw/zinc/35/56/15/325355615.db2.gz ZQJVFVSEBZQJGW-LLVKDONJSA-N 1 2 350.831 2.010 20 30 FEEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCCN(CC(F)F)CC2)cc1Cl ZINC000091083389 325373756 /nfs/dbraw/zinc/37/37/56/325373756.db2.gz XWIWIELMLLWOBF-UHFFFAOYSA-N 1 2 356.804 2.423 20 30 FEEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCCN(CC(F)F)CC2)cc1Cl ZINC000091083389 325373759 /nfs/dbraw/zinc/37/37/59/325373759.db2.gz XWIWIELMLLWOBF-UHFFFAOYSA-N 1 2 356.804 2.423 20 30 FEEDLO CCO[C@H](C)c1noc(CN2CC[NH+](Cc3ccc(F)c(C#N)c3)CC2)n1 ZINC000121556549 326347628 /nfs/dbraw/zinc/34/76/28/326347628.db2.gz QHIKXRCHPMMPJN-CQSZACIVSA-N 1 2 373.432 2.496 20 30 FEEDLO CCCNC(=O)[C@@H](C)[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000130850914 326564449 /nfs/dbraw/zinc/56/44/49/326564449.db2.gz GBZIUTQXWGNFMZ-OAHLLOKOSA-N 1 2 351.454 2.143 20 30 FEEDLO N#Cc1ccccc1S(=O)(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000156766447 326843227 /nfs/dbraw/zinc/84/32/27/326843227.db2.gz DCOXENKHAJYPIT-UHFFFAOYSA-N 1 2 356.382 2.362 20 30 FEEDLO N#Cc1ccc(N2C(=O)C[C@H]([NH+]3CCN(c4cccs4)CC3)C2=O)cc1 ZINC000158229203 326889285 /nfs/dbraw/zinc/88/92/85/326889285.db2.gz APTIYEFIMFHTHL-INIZCTEOSA-N 1 2 366.446 2.074 20 30 FEEDLO Cc1cc(C#N)ccc1C(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000161743657 327007962 /nfs/dbraw/zinc/00/79/62/327007962.db2.gz XPJOLAIYTFGYJY-OAHLLOKOSA-N 1 2 350.422 2.417 20 30 FEEDLO Cc1sc(NC(=O)C[NH2+][C@@](C)(C(N)=O)c2ccccc2)c(C#N)c1C ZINC000177086633 327496724 /nfs/dbraw/zinc/49/67/24/327496724.db2.gz ZZDTWBCGUITUSL-GOSISDBHSA-N 1 2 356.451 2.165 20 30 FEEDLO N#Cc1ccc(-c2nnc(C[N@H+]3CCC[C@H]3[C@@H](O)C(F)(F)F)o2)cc1 ZINC000266546149 329235057 /nfs/dbraw/zinc/23/50/57/329235057.db2.gz RNPOOCJHVNASFX-GXTWGEPZSA-N 1 2 352.316 2.496 20 30 FEEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3CCC[C@H]3[C@@H](O)C(F)(F)F)o2)cc1 ZINC000266546149 329235058 /nfs/dbraw/zinc/23/50/58/329235058.db2.gz RNPOOCJHVNASFX-GXTWGEPZSA-N 1 2 352.316 2.496 20 30 FEEDLO CO[C@H](C)c1noc(C[N@@H+]2CCCN(c3nc(C)cc(C)c3C#N)CC2)n1 ZINC000267400766 329323316 /nfs/dbraw/zinc/32/33/16/329323316.db2.gz PIUQWDZCVXSXJJ-OAHLLOKOSA-N 1 2 370.457 2.373 20 30 FEEDLO CO[C@H](C)c1noc(C[N@H+]2CCCN(c3nc(C)cc(C)c3C#N)CC2)n1 ZINC000267400766 329323317 /nfs/dbraw/zinc/32/33/17/329323317.db2.gz PIUQWDZCVXSXJJ-OAHLLOKOSA-N 1 2 370.457 2.373 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@@H]3CCC[C@@H]4OCC[C@H]43)CC2)cc1 ZINC000268518681 329430134 /nfs/dbraw/zinc/43/01/34/329430134.db2.gz ZNSSGHLHICWFQR-ZCNNSNEGSA-N 1 2 368.481 2.343 20 30 FEEDLO COc1ccc([C@@H](CNc2ccc(C#N)nc2)[NH+]2CCOCC2)cc1OC ZINC000269379452 329513373 /nfs/dbraw/zinc/51/33/73/329513373.db2.gz RNJCAMFRCITRHS-GOSISDBHSA-N 1 2 368.437 2.456 20 30 FEEDLO CC[NH+](CC)Cc1nc(C2(NC(=O)c3c[nH]c(C#N)c3)CCCC2)no1 ZINC000272489532 329785081 /nfs/dbraw/zinc/78/50/81/329785081.db2.gz WAFFCSDOKFWICS-UHFFFAOYSA-N 1 2 356.430 2.310 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCC[C@@H]3CCCCO3)CC2)cc1 ZINC000272522452 329788210 /nfs/dbraw/zinc/78/82/10/329788210.db2.gz KACMPWYSRVCSLO-IBGZPJMESA-N 1 2 356.470 2.345 20 30 FEEDLO C=CCN(CC=C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000554684141 674330081 /nfs/dbraw/zinc/33/00/81/674330081.db2.gz VBLVDENJXWWKBF-IAGOWNOFSA-N 1 2 361.873 2.402 20 30 FEEDLO C=CCN(CC=C)C(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000554684141 674330082 /nfs/dbraw/zinc/33/00/82/674330082.db2.gz VBLVDENJXWWKBF-IAGOWNOFSA-N 1 2 361.873 2.402 20 30 FEEDLO CC(C)N(C(=O)C[N@@H+]1CCN(c2nccnc2C#N)C[C@H]1C)C1CCCC1 ZINC000155547033 545541280 /nfs/dbraw/zinc/54/12/80/545541280.db2.gz RFHFIILRKJMFNB-MRXNPFEDSA-N 1 2 370.501 2.038 20 30 FEEDLO CC(C)N(C(=O)C[N@H+]1CCN(c2nccnc2C#N)C[C@H]1C)C1CCCC1 ZINC000155547033 545541283 /nfs/dbraw/zinc/54/12/83/545541283.db2.gz RFHFIILRKJMFNB-MRXNPFEDSA-N 1 2 370.501 2.038 20 30 FEEDLO COc1ccc(C#N)cc1C[N@@H+]1CCCN(C(=O)c2ccncc2)CC1 ZINC000156103547 545599248 /nfs/dbraw/zinc/59/92/48/545599248.db2.gz VQUXDTPUCLRKGH-UHFFFAOYSA-N 1 2 350.422 2.310 20 30 FEEDLO COc1ccc(C#N)cc1C[N@H+]1CCCN(C(=O)c2ccncc2)CC1 ZINC000156103547 545599251 /nfs/dbraw/zinc/59/92/51/545599251.db2.gz VQUXDTPUCLRKGH-UHFFFAOYSA-N 1 2 350.422 2.310 20 30 FEEDLO N#CCCN(C(=O)C[N@@H+](CCO)Cc1cccnc1)c1cccc(Cl)c1 ZINC000156751040 545655371 /nfs/dbraw/zinc/65/53/71/545655371.db2.gz BMUGGNDSHQZDAO-UHFFFAOYSA-N 1 2 372.856 2.476 20 30 FEEDLO N#CCCN(C(=O)C[N@H+](CCO)Cc1cccnc1)c1cccc(Cl)c1 ZINC000156751040 545655378 /nfs/dbraw/zinc/65/53/78/545655378.db2.gz BMUGGNDSHQZDAO-UHFFFAOYSA-N 1 2 372.856 2.476 20 30 FEEDLO COc1ccc([C@H](CO)[N@H+](C)CCS(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000156750105 545655708 /nfs/dbraw/zinc/65/57/08/545655708.db2.gz PZKTZMBIIWVHJV-IBGZPJMESA-N 1 2 374.462 2.006 20 30 FEEDLO COc1ccc([C@H](CO)[N@@H+](C)CCS(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000156750105 545655711 /nfs/dbraw/zinc/65/57/11/545655711.db2.gz PZKTZMBIIWVHJV-IBGZPJMESA-N 1 2 374.462 2.006 20 30 FEEDLO Cc1cc(C)n(-c2ccc(C(N)=[NH+]OCc3nccn3C(F)F)cn2)n1 ZINC000157113044 545702713 /nfs/dbraw/zinc/70/27/13/545702713.db2.gz KQIXBDWCIOBAJS-UHFFFAOYSA-N 1 2 361.356 2.313 20 30 FEEDLO C[C@H](NC(=O)c1ccc(COc2ccccc2C#N)o1)[C@H]1C[N@H+](C)CCO1 ZINC000157513348 545750300 /nfs/dbraw/zinc/75/03/00/545750300.db2.gz QBQXFPIDMNOZBM-IFXJQAMLSA-N 1 2 369.421 2.179 20 30 FEEDLO C[C@H](NC(=O)c1ccc(COc2ccccc2C#N)o1)[C@H]1C[N@@H+](C)CCO1 ZINC000157513348 545750305 /nfs/dbraw/zinc/75/03/05/545750305.db2.gz QBQXFPIDMNOZBM-IFXJQAMLSA-N 1 2 369.421 2.179 20 30 FEEDLO C=CCn1cccc1C(=O)N1CCC[C@H]([N@H+](C)Cc2noc(C)n2)CC1 ZINC000478368397 561165170 /nfs/dbraw/zinc/16/51/70/561165170.db2.gz ZRRXMKSLTHBOGQ-INIZCTEOSA-N 1 2 357.458 2.492 20 30 FEEDLO C=CCn1cccc1C(=O)N1CCC[C@H]([N@@H+](C)Cc2noc(C)n2)CC1 ZINC000478368397 561165171 /nfs/dbraw/zinc/16/51/71/561165171.db2.gz ZRRXMKSLTHBOGQ-INIZCTEOSA-N 1 2 357.458 2.492 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1ccc(-c2ccccc2)[nH]1 ZINC000171769926 546224628 /nfs/dbraw/zinc/22/46/28/546224628.db2.gz VCSBQTURWOZLAI-UHFFFAOYSA-N 1 2 352.438 2.370 20 30 FEEDLO CCC(CC)[C@H](C(=O)NCc1ccc(OCC#N)cc1)[NH+]1CCOCC1 ZINC000173470086 546282291 /nfs/dbraw/zinc/28/22/91/546282291.db2.gz CZXBMYSWBQUBGI-LJQANCHMSA-N 1 2 359.470 2.342 20 30 FEEDLO C=CCOc1cccc(C[NH+]2CCN(CC(=O)N3CCCCC3)CC2)c1 ZINC000178130119 546744207 /nfs/dbraw/zinc/74/42/07/546744207.db2.gz DTKGRFYUCBIKNC-UHFFFAOYSA-N 1 2 357.498 2.382 20 30 FEEDLO C=CCOc1cccc(CN2CC[NH+](CC(=O)N3CCCCC3)CC2)c1 ZINC000178130119 546744212 /nfs/dbraw/zinc/74/42/12/546744212.db2.gz DTKGRFYUCBIKNC-UHFFFAOYSA-N 1 2 357.498 2.382 20 30 FEEDLO CCCCCNC(=O)[C@H](C)O[NH+]=C(N)c1ccc(N2CCCCC2)nc1 ZINC000178149645 546746937 /nfs/dbraw/zinc/74/69/37/546746937.db2.gz ARXGQLUKDJTAIU-HNNXBMFYSA-N 1 2 361.490 2.404 20 30 FEEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cnn(Cc2ccccc2)c1 ZINC000179438456 546954818 /nfs/dbraw/zinc/95/48/18/546954818.db2.gz SKDOYWXMMZBFMU-QGZVFWFLSA-N 1 2 373.464 2.304 20 30 FEEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cnn(Cc2ccccc2)c1 ZINC000179438456 546954820 /nfs/dbraw/zinc/95/48/20/546954820.db2.gz SKDOYWXMMZBFMU-QGZVFWFLSA-N 1 2 373.464 2.304 20 30 FEEDLO COc1ncnc2c1C[N@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)CC2 ZINC000180037208 547042367 /nfs/dbraw/zinc/04/23/67/547042367.db2.gz ZZCUWMDVLFLVDK-UHFFFAOYSA-N 1 2 360.421 2.316 20 30 FEEDLO COc1ncnc2c1C[N@@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)CC2 ZINC000180037208 547042373 /nfs/dbraw/zinc/04/23/73/547042373.db2.gz ZZCUWMDVLFLVDK-UHFFFAOYSA-N 1 2 360.421 2.316 20 30 FEEDLO Cc1cccc(O[C@@H](C)C(=O)N2CC[NH+](Cc3cc(C#N)n(C)c3)CC2)c1 ZINC000483288511 561273064 /nfs/dbraw/zinc/27/30/64/561273064.db2.gz HKGUADIWPBKCPB-KRWDZBQOSA-N 1 2 366.465 2.317 20 30 FEEDLO COc1cc(C#N)ccc1S(=O)(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000185425305 547982586 /nfs/dbraw/zinc/98/25/86/547982586.db2.gz JOELRKYDQZTVRS-UHFFFAOYSA-N 1 2 372.450 2.041 20 30 FEEDLO COCc1noc(CN2CC[NH+](CC#Cc3cccc(Cl)c3)CC2)n1 ZINC000189622507 548306328 /nfs/dbraw/zinc/30/63/28/548306328.db2.gz FRZFVDLGTKARFT-UHFFFAOYSA-N 1 2 360.845 2.039 20 30 FEEDLO C[C@H](CC#N)NC(=O)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000190101313 548317889 /nfs/dbraw/zinc/31/78/89/548317889.db2.gz HOKRDTGHUFHDHT-CYBMUJFWSA-N 1 2 351.410 2.243 20 30 FEEDLO CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCN(c2nc3ccccc3s2)CC1 ZINC000194201107 548448720 /nfs/dbraw/zinc/44/87/20/548448720.db2.gz ZFEHKVBSDJRRGB-OAHLLOKOSA-N 1 2 371.510 2.426 20 30 FEEDLO C=CCCC[C@@H](C)NC(=O)C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000487757949 561375209 /nfs/dbraw/zinc/37/52/09/561375209.db2.gz VUQHPPDUJSZMDV-GOSISDBHSA-N 1 2 373.497 2.071 20 30 FEEDLO C=CCCC[C@H](C)NC(=O)C(=O)N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000487815942 561376444 /nfs/dbraw/zinc/37/64/44/561376444.db2.gz INAOJPFEGCCPLC-KRWDZBQOSA-N 1 2 373.497 2.200 20 30 FEEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000245420956 548913759 /nfs/dbraw/zinc/91/37/59/548913759.db2.gz HSHXAYQATBVNRC-CJNGLKHVSA-N 1 2 355.360 2.321 20 30 FEEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000245420956 548913762 /nfs/dbraw/zinc/91/37/62/548913762.db2.gz HSHXAYQATBVNRC-CJNGLKHVSA-N 1 2 355.360 2.321 20 30 FEEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]([C@H](C)c2ccco2)C2CC2)CC1 ZINC000246217348 549081958 /nfs/dbraw/zinc/08/19/58/549081958.db2.gz ZGFFZLXWKHDJGF-SJLPKXTDSA-N 1 2 358.486 2.497 20 30 FEEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]([C@H](C)c2ccco2)C2CC2)CC1 ZINC000246217348 549081963 /nfs/dbraw/zinc/08/19/63/549081963.db2.gz ZGFFZLXWKHDJGF-SJLPKXTDSA-N 1 2 358.486 2.497 20 30 FEEDLO C[C@@H]1C[C@@H](C)CN(C(=O)C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)C1 ZINC000246226800 549083730 /nfs/dbraw/zinc/08/37/30/549083730.db2.gz MCTGEDPSRKWRLE-QWFCFKBJSA-N 1 2 354.498 2.373 20 30 FEEDLO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N([C@@H]2[C@@H]3CCO[C@H]3C2(C)C)CC1=O ZINC000246737955 549199938 /nfs/dbraw/zinc/19/99/38/549199938.db2.gz FDXLWGDKQMMADO-JBBXEZCESA-N 1 2 366.465 2.460 20 30 FEEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCS[C@H]3COCC[C@H]32)cc1Cl ZINC000246744028 549201534 /nfs/dbraw/zinc/20/15/34/549201534.db2.gz GWRHFVQLEANABO-CABCVRRESA-N 1 2 351.859 2.356 20 30 FEEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCS[C@H]3COCC[C@H]32)cc1Cl ZINC000246744028 549201536 /nfs/dbraw/zinc/20/15/36/549201536.db2.gz GWRHFVQLEANABO-CABCVRRESA-N 1 2 351.859 2.356 20 30 FEEDLO Cc1oc(NC(=O)C[N@H+]2CCC[C@@H](CNC(=O)C(C)C)C2)c(C#N)c1C ZINC000263787843 549937487 /nfs/dbraw/zinc/93/74/87/549937487.db2.gz WRGSJRNAFJVGMY-HNNXBMFYSA-N 1 2 360.458 2.191 20 30 FEEDLO Cc1oc(NC(=O)C[N@@H+]2CCC[C@@H](CNC(=O)C(C)C)C2)c(C#N)c1C ZINC000263787843 549937489 /nfs/dbraw/zinc/93/74/89/549937489.db2.gz WRGSJRNAFJVGMY-HNNXBMFYSA-N 1 2 360.458 2.191 20 30 FEEDLO COc1ccc(C(N)=[NH+]O[C@@H](C)C(=O)N[C@@H]2CCOc3ccccc32)cc1 ZINC000264949475 550003926 /nfs/dbraw/zinc/00/39/26/550003926.db2.gz KQTBLPYJUVCKDH-SUMWQHHRSA-N 1 2 369.421 2.361 20 30 FEEDLO COc1ccc(C(N)=[NH+]O[C@@H](C)C(=O)NCc2ccccc2OC)cc1 ZINC000264953288 550004489 /nfs/dbraw/zinc/00/44/89/550004489.db2.gz LMSKTCOLDSNWTP-ZDUSSCGKSA-N 1 2 357.410 2.046 20 30 FEEDLO N#Cc1ccc(OC2CN(C(=O)Nc3ccc(Cn4cc[nH+]c4)cn3)C2)cc1 ZINC000492294678 561450726 /nfs/dbraw/zinc/45/07/26/561450726.db2.gz SITPSUOHUWHFMS-UHFFFAOYSA-N 1 2 374.404 2.493 20 30 FEEDLO COc1ccc([C@@H](CNc2cccc(C#N)n2)[NH+]2CCOCC2)cc1OC ZINC000269270196 550175175 /nfs/dbraw/zinc/17/51/75/550175175.db2.gz DANSEVIUQQHDSB-QGZVFWFLSA-N 1 2 368.437 2.456 20 30 FEEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCN(c2cncc(F)c2)CC1 ZINC000271002783 550330209 /nfs/dbraw/zinc/33/02/09/550330209.db2.gz YZFFCMYFZFDGRO-HNNXBMFYSA-N 1 2 359.449 2.074 20 30 FEEDLO C=C(C)COc1cc(CN2CC[NH+](C(C)(C)C(N)=O)CC2)ccc1OC ZINC000271206105 550352836 /nfs/dbraw/zinc/35/28/36/550352836.db2.gz ZTVAFUNBZCTKSF-UHFFFAOYSA-N 1 2 361.486 2.032 20 30 FEEDLO C=C(C)COc1cc(C[NH+]2CCN(C(C)(C)C(N)=O)CC2)ccc1OC ZINC000271206105 550352837 /nfs/dbraw/zinc/35/28/37/550352837.db2.gz ZTVAFUNBZCTKSF-UHFFFAOYSA-N 1 2 361.486 2.032 20 30 FEEDLO CCOC(=O)C1=C(C[NH+]2CCC(C)(C#N)CC2)NC(=O)N[C@@H]1c1ccco1 ZINC000272615228 550460928 /nfs/dbraw/zinc/46/09/28/550460928.db2.gz SYLBUUCXPGVJLL-MRXNPFEDSA-N 1 2 372.425 2.076 20 30 FEEDLO CCN(CCC#N)C(=O)C[NH2+][C@H](C)c1nc(-c2ccccc2OC)no1 ZINC000273433138 550498297 /nfs/dbraw/zinc/49/82/97/550498297.db2.gz XZDPPXNZEGMYCM-CYBMUJFWSA-N 1 2 357.414 2.158 20 30 FEEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@@H](C)c1nncn1C ZINC000275237120 550571241 /nfs/dbraw/zinc/57/12/41/550571241.db2.gz WPHIOQALSVVBMG-STQMWFEESA-N 1 2 358.471 2.499 20 30 FEEDLO C#CCCN1CC[NH+]([C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)CC1 ZINC000276305575 550577863 /nfs/dbraw/zinc/57/78/63/550577863.db2.gz XTCZWVQRDRMSHC-IBGZPJMESA-N 1 2 361.436 2.097 20 30 FEEDLO COC(=O)[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2SCC#N)C[C@H]1C ZINC000276387986 550578455 /nfs/dbraw/zinc/57/84/55/550578455.db2.gz HVOMEFONWQSJCS-ZIAGYGMSSA-N 1 2 361.467 2.372 20 30 FEEDLO COC(=O)[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2SCC#N)C[C@H]1C ZINC000276387986 550578456 /nfs/dbraw/zinc/57/84/56/550578456.db2.gz HVOMEFONWQSJCS-ZIAGYGMSSA-N 1 2 361.467 2.372 20 30 FEEDLO C[N@@H+]1CCO[C@@H](CN(CC2CC2)C(=O)c2ccc(C3(C#N)CC3)cc2)C1 ZINC000276516320 550578745 /nfs/dbraw/zinc/57/87/45/550578745.db2.gz QIFQANBIALLIAP-LJQANCHMSA-N 1 2 353.466 2.425 20 30 FEEDLO C[N@H+]1CCO[C@@H](CN(CC2CC2)C(=O)c2ccc(C3(C#N)CC3)cc2)C1 ZINC000276516320 550578746 /nfs/dbraw/zinc/57/87/46/550578746.db2.gz QIFQANBIALLIAP-LJQANCHMSA-N 1 2 353.466 2.425 20 30 FEEDLO N#Cc1ccc(N2CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)c(Cl)c1 ZINC000277772423 550712468 /nfs/dbraw/zinc/71/24/68/550712468.db2.gz NEIMBBNZEMOKHG-UHFFFAOYSA-N 1 2 360.805 2.139 20 30 FEEDLO C=CC[N@@H+](Cc1ccc(Cl)cc1-n1cncn1)[C@H]1CCS(=O)(=O)C1 ZINC000279757397 550925627 /nfs/dbraw/zinc/92/56/27/550925627.db2.gz YQUYFVVOHIOSNE-HNNXBMFYSA-N 1 2 366.874 2.096 20 30 FEEDLO C=CC[N@H+](Cc1ccc(Cl)cc1-n1cncn1)[C@H]1CCS(=O)(=O)C1 ZINC000279757397 550925628 /nfs/dbraw/zinc/92/56/28/550925628.db2.gz YQUYFVVOHIOSNE-HNNXBMFYSA-N 1 2 366.874 2.096 20 30 FEEDLO C[C@H]1OCC[C@@]12C[N@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)C[C@@H](C)O2 ZINC000279916723 550942475 /nfs/dbraw/zinc/94/24/75/550942475.db2.gz WBGCJHXHFILRCO-SNUQEOBHSA-N 1 2 363.845 2.418 20 30 FEEDLO C[C@H]1OCC[C@@]12C[N@@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)C[C@@H](C)O2 ZINC000279916723 550942476 /nfs/dbraw/zinc/94/24/76/550942476.db2.gz WBGCJHXHFILRCO-SNUQEOBHSA-N 1 2 363.845 2.418 20 30 FEEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2C[C@H](C)O[C@]3(CCOC3)C2)c1C ZINC000280325064 550980901 /nfs/dbraw/zinc/98/09/01/550980901.db2.gz HHEMOODCSBMRJR-LAUBAEHRSA-N 1 2 371.481 2.430 20 30 FEEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2C[C@H](C)O[C@]3(CCOC3)C2)c1C ZINC000280325064 550980903 /nfs/dbraw/zinc/98/09/03/550980903.db2.gz HHEMOODCSBMRJR-LAUBAEHRSA-N 1 2 371.481 2.430 20 30 FEEDLO C=CC[N@@H+](CCc1ccco1)Cc1c(C)nn(CCS(C)(=O)=O)c1C ZINC000281339589 551086438 /nfs/dbraw/zinc/08/64/38/551086438.db2.gz QPBOKIBRYORGJP-UHFFFAOYSA-N 1 2 365.499 2.368 20 30 FEEDLO C=CC[N@H+](CCc1ccco1)Cc1c(C)nn(CCS(C)(=O)=O)c1C ZINC000281339589 551086440 /nfs/dbraw/zinc/08/64/40/551086440.db2.gz QPBOKIBRYORGJP-UHFFFAOYSA-N 1 2 365.499 2.368 20 30 FEEDLO C[C@@H]1CN(c2ccc(CNC(=O)NCC3CCC(C#N)CC3)c[nH+]2)CCO1 ZINC000281871108 551151293 /nfs/dbraw/zinc/15/12/93/551151293.db2.gz OVIQTUCOIKJHAB-KLAILNCOSA-N 1 2 371.485 2.436 20 30 FEEDLO C=CCN1CC[C@H]([NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)C1=O ZINC000282063622 551175710 /nfs/dbraw/zinc/17/57/10/551175710.db2.gz SIISUGCKHDUWEF-IBGZPJMESA-N 1 2 361.449 2.015 20 30 FEEDLO Cc1nn(CCC#N)c(C)c1CCC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000497523451 561503019 /nfs/dbraw/zinc/50/30/19/561503019.db2.gz SDGACZIWBXBBNU-UHFFFAOYSA-N 1 2 369.469 2.284 20 30 FEEDLO C[C@H](C#N)CN(C)S(=O)(=O)N1CCC(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000282805102 551272389 /nfs/dbraw/zinc/27/23/89/551272389.db2.gz KMDOPZHIZFWDFE-CYBMUJFWSA-N 1 2 361.471 2.079 20 30 FEEDLO C[C@@H](Cn1cc[nH+]c1)NS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000282989928 551294325 /nfs/dbraw/zinc/29/43/25/551294325.db2.gz XYAFHKVUYKRBIQ-JTQLQIEISA-N 1 2 358.345 2.141 20 30 FEEDLO C#Cc1cc(F)c(NC(=O)C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c(F)c1 ZINC000283278523 551340767 /nfs/dbraw/zinc/34/07/67/551340767.db2.gz NLTXUIMRKSISTE-WBMJQRKESA-N 1 2 372.375 2.191 20 30 FEEDLO CC(C)CO[C@@H](C)C(N)=[NH+]O[C@@H](C)C(=O)N1CCc2sccc2C1 ZINC000283408087 551361367 /nfs/dbraw/zinc/36/13/67/551361367.db2.gz OOXVTOMFKBARFM-STQMWFEESA-N 1 2 353.488 2.371 20 30 FEEDLO C[C@@H](O[NH+]=C(N)[C@H]1CCCO1)C(=O)Nc1ccc(Br)cc1 ZINC000283761903 551423583 /nfs/dbraw/zinc/42/35/83/551423583.db2.gz BAVKHWCARAWKGO-BXKDBHETSA-N 1 2 356.220 2.244 20 30 FEEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000284360781 551532369 /nfs/dbraw/zinc/53/23/69/551532369.db2.gz SUNDNZFPASKUKL-ZDUSSCGKSA-N 1 2 374.466 2.459 20 30 FEEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000284360781 551532371 /nfs/dbraw/zinc/53/23/71/551532371.db2.gz SUNDNZFPASKUKL-ZDUSSCGKSA-N 1 2 374.466 2.459 20 30 FEEDLO COc1ccc2cc(CN(C)C(=O)CO[NH+]=C(N)[C@@H]3CCCO3)ccc2c1 ZINC000284392592 551539800 /nfs/dbraw/zinc/53/98/00/551539800.db2.gz MOPWLDJNTPMZJN-SFHVURJKSA-N 1 2 371.437 2.275 20 30 FEEDLO COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)O[NH+]=C(N)[C@H]1CCCO1 ZINC000284434494 551548350 /nfs/dbraw/zinc/54/83/50/551548350.db2.gz OXLOQHUMOKCRJO-GXFFZTMASA-N 1 2 355.822 2.452 20 30 FEEDLO NC(=[NH+]OC[C@H]1CCCS(=O)(=O)C1)c1cccc(C(F)(F)F)c1 ZINC000284600722 551587198 /nfs/dbraw/zinc/58/71/98/551587198.db2.gz YKMLONDUHPTGQG-SNVBAGLBSA-N 1 2 350.362 2.167 20 30 FEEDLO CC(C)[N@H+](CC(=O)NCc1ccc(C#N)cc1)CC(=O)N1CCCCCC1 ZINC000285619729 551784145 /nfs/dbraw/zinc/78/41/45/551784145.db2.gz KHEHJSIQXPXEPK-UHFFFAOYSA-N 1 2 370.497 2.287 20 30 FEEDLO CC(C)[N@@H+](CC(=O)NCc1ccc(C#N)cc1)CC(=O)N1CCCCCC1 ZINC000285619729 551784147 /nfs/dbraw/zinc/78/41/47/551784147.db2.gz KHEHJSIQXPXEPK-UHFFFAOYSA-N 1 2 370.497 2.287 20 30 FEEDLO COc1cc[nH+]cc1COC(=O)C1CCN(c2oc(C)nc2C#N)CC1 ZINC000286891852 551936951 /nfs/dbraw/zinc/93/69/51/551936951.db2.gz KXEQLIHPRNKMBY-UHFFFAOYSA-N 1 2 356.382 2.218 20 30 FEEDLO Cc1[nH+]c2cc(C)ccn2c1CN1CCN(C(=O)c2cc(C#N)ccn2)CC1 ZINC000287247235 551980669 /nfs/dbraw/zinc/98/06/69/551980669.db2.gz XCNCPACCWDMTNO-UHFFFAOYSA-N 1 2 374.448 2.176 20 30 FEEDLO CN(CCCn1cc[nH+]c1)C(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000287499678 552012145 /nfs/dbraw/zinc/01/21/45/552012145.db2.gz YRTMAEOZIBKHHG-INIZCTEOSA-N 1 2 355.417 2.269 20 30 FEEDLO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCN(c3cnccc3C#N)CC2)C1 ZINC000288111657 552093445 /nfs/dbraw/zinc/09/34/45/552093445.db2.gz BVCKXSBKQBMECX-MRXNPFEDSA-N 1 2 357.458 2.085 20 30 FEEDLO CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@@H](C#N)c1c(Cl)cccc1Cl ZINC000499865352 561560162 /nfs/dbraw/zinc/56/01/62/561560162.db2.gz VDMAZUPJCOVNIP-ZDUSSCGKSA-N 1 2 371.268 2.131 20 30 FEEDLO CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@@H](C#N)c1c(Cl)cccc1Cl ZINC000499865352 561560163 /nfs/dbraw/zinc/56/01/63/561560163.db2.gz VDMAZUPJCOVNIP-ZDUSSCGKSA-N 1 2 371.268 2.131 20 30 FEEDLO N#Cc1ccccc1N1CC[NH+](Cc2cnc(C3OCCO3)s2)CC1 ZINC000289071636 552261686 /nfs/dbraw/zinc/26/16/86/552261686.db2.gz JVRPGYRAHPSBBK-UHFFFAOYSA-N 1 2 356.451 2.382 20 30 FEEDLO CCc1nc([C@@H](C)[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)cs1 ZINC000289775920 552376706 /nfs/dbraw/zinc/37/67/06/552376706.db2.gz IUVGLZKQNOWSCO-LLVKDONJSA-N 1 2 350.469 2.097 20 30 FEEDLO Cc1[nH+]c2ccccc2n1CCNS(=O)(=O)Cc1cc(C#N)ccc1F ZINC000500806830 561583132 /nfs/dbraw/zinc/58/31/32/561583132.db2.gz GUBOKHRETOHJNY-UHFFFAOYSA-N 1 2 372.425 2.475 20 30 FEEDLO Cc1cc[nH+]cc1N1CCN(C(=O)[C@@H](C)Oc2ccc(C#N)cc2)CC1 ZINC000500674554 561579266 /nfs/dbraw/zinc/57/92/66/561579266.db2.gz CZVCJEWUGOMCHJ-MRXNPFEDSA-N 1 2 350.422 2.378 20 30 FEEDLO Cc1ccc2[nH+]c(CNS(=O)(=O)Cc3cc(C#N)ccc3F)cn2c1 ZINC000500699954 561579804 /nfs/dbraw/zinc/57/98/04/561579804.db2.gz AUHQOQDJRIKINZ-UHFFFAOYSA-N 1 2 358.398 2.273 20 30 FEEDLO Cc1ccc(C)n1C1CC[NH+](CCS(=O)(=O)c2ccc(C#N)cn2)CC1 ZINC000290271130 552451497 /nfs/dbraw/zinc/45/14/97/552451497.db2.gz LMJWHIZKOPRRLD-UHFFFAOYSA-N 1 2 372.494 2.482 20 30 FEEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC000291944521 552677193 /nfs/dbraw/zinc/67/71/93/552677193.db2.gz UGSYPKIBBYKYDX-LSDHHAIUSA-N 1 2 351.397 2.271 20 30 FEEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC000291944521 552677194 /nfs/dbraw/zinc/67/71/94/552677194.db2.gz UGSYPKIBBYKYDX-LSDHHAIUSA-N 1 2 351.397 2.271 20 30 FEEDLO C=CCC(C)(C)C(=O)N1CC[NH+](CCNC(=O)c2ccc(OC)cc2)CC1 ZINC000294118757 552883367 /nfs/dbraw/zinc/88/33/67/552883367.db2.gz OVZHRDYKRZOVSO-UHFFFAOYSA-N 1 2 373.497 2.172 20 30 FEEDLO COc1cc[nH+]cc1CNC(=O)N1CCN(c2cccc(F)c2C#N)CC1 ZINC000294149634 552885776 /nfs/dbraw/zinc/88/57/76/552885776.db2.gz HOCTZIYZUPHGEI-UHFFFAOYSA-N 1 2 369.400 2.133 20 30 FEEDLO C=CCOc1ccc(CC(=O)N2CC[C@@H]([NH+]3CCN(CC)CC3)C2)cc1 ZINC000294593312 552918706 /nfs/dbraw/zinc/91/87/06/552918706.db2.gz LPOJQHVPIPYTCX-LJQANCHMSA-N 1 2 357.498 2.032 20 30 FEEDLO C[C@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC(=O)N1C ZINC000502920017 561630100 /nfs/dbraw/zinc/63/01/00/561630100.db2.gz OJMAQPVHGDWRSV-ZDUSSCGKSA-N 1 2 374.510 2.380 20 30 FEEDLO C[C@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC(=O)N1C ZINC000502920017 561630101 /nfs/dbraw/zinc/63/01/01/561630101.db2.gz OJMAQPVHGDWRSV-ZDUSSCGKSA-N 1 2 374.510 2.380 20 30 FEEDLO N#Cc1ccc(CNC(=O)C[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000298477048 553429732 /nfs/dbraw/zinc/42/97/32/553429732.db2.gz SHTLYBBMMPDUMR-UHFFFAOYSA-N 1 2 352.413 2.136 20 30 FEEDLO CC(C)(C)OC(=O)N1CCC[N@H+](CC(=O)NCc2ccc(C#N)cc2)CC1 ZINC000298773910 553471240 /nfs/dbraw/zinc/47/12/40/553471240.db2.gz HFROOMZFDPKNRJ-UHFFFAOYSA-N 1 2 372.469 2.117 20 30 FEEDLO CC(C)(C)OC(=O)N1CCC[N@@H+](CC(=O)NCc2ccc(C#N)cc2)CC1 ZINC000298773910 553471242 /nfs/dbraw/zinc/47/12/42/553471242.db2.gz HFROOMZFDPKNRJ-UHFFFAOYSA-N 1 2 372.469 2.117 20 30 FEEDLO CC(=O)NCC[N@H+](CC(=O)Nc1cccc(C#N)c1)Cc1ccsc1 ZINC000298783150 553472349 /nfs/dbraw/zinc/47/23/49/553472349.db2.gz ACXXWTPRBAZHDF-UHFFFAOYSA-N 1 2 356.451 2.197 20 30 FEEDLO CC(=O)NCC[N@@H+](CC(=O)Nc1cccc(C#N)c1)Cc1ccsc1 ZINC000298783150 553472351 /nfs/dbraw/zinc/47/23/51/553472351.db2.gz ACXXWTPRBAZHDF-UHFFFAOYSA-N 1 2 356.451 2.197 20 30 FEEDLO C=CCN(CC=C)C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000299343602 553550619 /nfs/dbraw/zinc/55/06/19/553550619.db2.gz FYTXPGMSKHWGNA-UHFFFAOYSA-N 1 2 359.470 2.281 20 30 FEEDLO CCNC(=O)C[NH+]1CCN(c2c(C#N)cnc3ccc(Cl)cc32)CC1 ZINC000301372387 553646326 /nfs/dbraw/zinc/64/63/26/553646326.db2.gz VTDXWWATZVLSAH-UHFFFAOYSA-N 1 2 357.845 2.018 20 30 FEEDLO Cc1cc(NC(=O)N2CCC[N@H+](Cc3cscn3)CC2)ncc1C#N ZINC000603116380 553711918 /nfs/dbraw/zinc/71/19/18/553711918.db2.gz LGPBPIPPDCWVCB-UHFFFAOYSA-N 1 2 356.455 2.458 20 30 FEEDLO Cc1cc(NC(=O)N2CCC[N@@H+](Cc3cscn3)CC2)ncc1C#N ZINC000603116380 553711920 /nfs/dbraw/zinc/71/19/20/553711920.db2.gz LGPBPIPPDCWVCB-UHFFFAOYSA-N 1 2 356.455 2.458 20 30 FEEDLO O=C(C[C@@H]1CCCS(=O)(=O)C1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000328684787 553806843 /nfs/dbraw/zinc/80/68/43/553806843.db2.gz FGIFSBFOPXKUGL-INIZCTEOSA-N 1 2 372.531 2.193 20 30 FEEDLO CC(C)CNC(=O)N1CCC[C@H](C(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)C1 ZINC000328786745 553822211 /nfs/dbraw/zinc/82/22/11/553822211.db2.gz OTFDPSWQFHNYBB-CVEARBPZSA-N 1 2 361.490 2.018 20 30 FEEDLO CC(C)(CNC(=O)[C@@H]1CCCC[C@H]1C(=O)N1CCCC1)[NH+]1CCOCC1 ZINC000328803269 553824483 /nfs/dbraw/zinc/82/44/83/553824483.db2.gz CLSFRPROWITJAJ-IAGOWNOFSA-N 1 2 365.518 2.483 20 30 FEEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CCN(c3ncccc3F)CC1)CCC2 ZINC000328888446 553839288 /nfs/dbraw/zinc/83/92/88/553839288.db2.gz QDEPZERCGFWWPP-HNNXBMFYSA-N 1 2 372.448 2.339 20 30 FEEDLO Cc1cc(C#N)ccc1S(=O)(=O)N1CC[N@@H+](C)[C@H](Cc2ccccc2)C1 ZINC000328902101 553842144 /nfs/dbraw/zinc/84/21/44/553842144.db2.gz ZYEQICNQNCYRRF-LJQANCHMSA-N 1 2 369.490 2.414 20 30 FEEDLO Cc1cc(C#N)ccc1S(=O)(=O)N1CC[N@H+](C)[C@H](Cc2ccccc2)C1 ZINC000328902101 553842148 /nfs/dbraw/zinc/84/21/48/553842148.db2.gz ZYEQICNQNCYRRF-LJQANCHMSA-N 1 2 369.490 2.414 20 30 FEEDLO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@H]2CCc3[nH]nnc3C2)CC1 ZINC000328947273 553850964 /nfs/dbraw/zinc/85/09/64/553850964.db2.gz GUBXXLVDZDQQKM-HIFRSBDPSA-N 1 2 354.458 2.487 20 30 FEEDLO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@H]2CCc3nn[nH]c3C2)CC1 ZINC000328947273 553850965 /nfs/dbraw/zinc/85/09/65/553850965.db2.gz GUBXXLVDZDQQKM-HIFRSBDPSA-N 1 2 354.458 2.487 20 30 FEEDLO O=C(NCC[NH+]1CCN(C(=O)C2CCC2)CC1)[C@@H]1OCCc2ccccc21 ZINC000328957225 553853100 /nfs/dbraw/zinc/85/31/00/553853100.db2.gz ZNCHXVYFFIHFDR-LJQANCHMSA-N 1 2 371.481 2.201 20 30 FEEDLO CO[C@@H]1CCC[C@@H]1[C@@H]1COCC[N@@H+]1CC(=O)NC[C@@H]1Cc2ccccc2O1 ZINC000328963609 553854551 /nfs/dbraw/zinc/85/45/51/553854551.db2.gz LLNKEADJEQEOFX-HLNWXESRSA-N 1 2 374.481 2.463 20 30 FEEDLO CO[C@@H]1CCC[C@@H]1[C@@H]1COCC[N@H+]1CC(=O)NC[C@@H]1Cc2ccccc2O1 ZINC000328963609 553854553 /nfs/dbraw/zinc/85/45/53/553854553.db2.gz LLNKEADJEQEOFX-HLNWXESRSA-N 1 2 374.481 2.463 20 30 FEEDLO CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000329031433 553868001 /nfs/dbraw/zinc/86/80/01/553868001.db2.gz PTSOXTBBPXXBRH-KLHDSHLOSA-N 1 2 350.463 2.046 20 30 FEEDLO Cc1ccnc(-c2cccc(NC(=O)N3CC[C@H]4OCC[N@@H+](C)[C@H]4C3)c2)n1 ZINC000329035767 553868176 /nfs/dbraw/zinc/86/81/76/553868176.db2.gz RBWMPWMMYGUWLU-ZWKOTPCHSA-N 1 2 367.453 2.402 20 30 FEEDLO Cc1ccnc(-c2cccc(NC(=O)N3CC[C@H]4OCC[N@H+](C)[C@H]4C3)c2)n1 ZINC000329035767 553868178 /nfs/dbraw/zinc/86/81/78/553868178.db2.gz RBWMPWMMYGUWLU-ZWKOTPCHSA-N 1 2 367.453 2.402 20 30 FEEDLO C[C@@H]1C[C@H](C)[C@H](C(=O)N[C@@H]2CCC(=O)N(C3CC3)[C@H]2c2c[nH+]cn2C)O1 ZINC000329042200 553870079 /nfs/dbraw/zinc/87/00/79/553870079.db2.gz TUXZCGPQTPVLSZ-UAHPAIHMSA-N 1 2 360.458 2.385 20 30 FEEDLO C[C@@H]1CCCCN1C(=O)N[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C ZINC000329240630 553908863 /nfs/dbraw/zinc/90/88/63/553908863.db2.gz RBMPTZQUSPZILT-DDUZABMNSA-N 1 2 359.474 2.403 20 30 FEEDLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)N1CCC[C@@H]1[C@@H]1COCC[C@@H]1O ZINC000329354618 553930978 /nfs/dbraw/zinc/93/09/78/553930978.db2.gz YMOBWKWNBRIWIG-OTWHNJEPSA-N 1 2 370.453 2.148 20 30 FEEDLO CC(C)[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)[C@@H](C)[NH+]1CCSCC1 ZINC000329375690 553934095 /nfs/dbraw/zinc/93/40/95/553934095.db2.gz LKQVFRNCWZAQED-MJBXVCDLSA-N 1 2 359.561 2.326 20 30 FEEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)N[C@@H]1CCC(=O)N[C@H]1C(C)(C)C ZINC000329385885 553936021 /nfs/dbraw/zinc/93/60/21/553936021.db2.gz SEVYWBRQADXJRC-KCYZZUKISA-N 1 2 366.506 2.229 20 30 FEEDLO Cc1noc([C@H](NC(=O)N2CCC[C@H]2Cn2cc[nH+]c2)C2CCOCC2)n1 ZINC000329396051 553938376 /nfs/dbraw/zinc/93/83/76/553938376.db2.gz VWYHNBYBMIMBFT-JKSUJKDBSA-N 1 2 374.445 2.121 20 30 FEEDLO C[C@H](NC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1)C1CCCC1 ZINC000329415946 553942634 /nfs/dbraw/zinc/94/26/34/553942634.db2.gz GBRJBTYGMQAYEL-AWEZNQCLSA-N 1 2 359.474 2.374 20 30 FEEDLO Cc1nnc([C@@H]2CCC[N@H+](CC(=O)NC[C@H]3Cc4ccccc4O3)C2)[nH]1 ZINC000329425806 553944768 /nfs/dbraw/zinc/94/47/68/553944768.db2.gz GXCJHJLPBMVFQS-HZPDHXFCSA-N 1 2 355.442 2.253 20 30 FEEDLO Cc1nnc([C@@H]2CCC[N@@H+](CC(=O)NC[C@H]3Cc4ccccc4O3)C2)[nH]1 ZINC000329425806 553944770 /nfs/dbraw/zinc/94/47/70/553944770.db2.gz GXCJHJLPBMVFQS-HZPDHXFCSA-N 1 2 355.442 2.253 20 30 FEEDLO Cc1n[nH]c([C@@H]2CCC[N@H+](CC(=O)NC[C@H]3Cc4ccccc4O3)C2)n1 ZINC000329425806 553944771 /nfs/dbraw/zinc/94/47/71/553944771.db2.gz GXCJHJLPBMVFQS-HZPDHXFCSA-N 1 2 355.442 2.253 20 30 FEEDLO Cc1n[nH]c([C@@H]2CCC[N@@H+](CC(=O)NC[C@H]3Cc4ccccc4O3)C2)n1 ZINC000329425806 553944773 /nfs/dbraw/zinc/94/47/73/553944773.db2.gz GXCJHJLPBMVFQS-HZPDHXFCSA-N 1 2 355.442 2.253 20 30 FEEDLO CC(C)C1(CNC(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)CC1 ZINC000329435576 553946363 /nfs/dbraw/zinc/94/63/63/553946363.db2.gz LSGUCICHMJBPOK-UHFFFAOYSA-N 1 2 359.474 2.231 20 30 FEEDLO C[NH+]1CCN(C(=O)c2cc(NC(=O)N3C[C@@H]4CCCC[C@H]4C3)ccn2)CC1 ZINC000329457461 553950671 /nfs/dbraw/zinc/95/06/71/553950671.db2.gz QMYQLWDABPUKNP-HOTGVXAUSA-N 1 2 371.485 2.137 20 30 FEEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)Nc3nc4c(s3)CCCC4(C)C)C[C@H]21 ZINC000329510269 553960204 /nfs/dbraw/zinc/96/02/04/553960204.db2.gz JYVUPGNIUMRKGR-NEPJUHHUSA-N 1 2 350.488 2.317 20 30 FEEDLO C[N@H+]1CCO[C@H]2CN(C(=O)Nc3nc4c(s3)CCCC4(C)C)C[C@H]21 ZINC000329510269 553960212 /nfs/dbraw/zinc/96/02/12/553960212.db2.gz JYVUPGNIUMRKGR-NEPJUHHUSA-N 1 2 350.488 2.317 20 30 FEEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NS(=O)(=O)CC1(C#N)CCCC1)C2 ZINC000329545820 553964787 /nfs/dbraw/zinc/96/47/87/553964787.db2.gz ZRYQDQUEMYSPKC-AWEZNQCLSA-N 1 2 364.515 2.499 20 30 FEEDLO Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000329669009 553985237 /nfs/dbraw/zinc/98/52/37/553985237.db2.gz MCHAVYPCZUIXCP-IRXDYDNUSA-N 1 2 374.485 2.253 20 30 FEEDLO Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000329669009 553985239 /nfs/dbraw/zinc/98/52/39/553985239.db2.gz MCHAVYPCZUIXCP-IRXDYDNUSA-N 1 2 374.485 2.253 20 30 FEEDLO Cn1c2ccc(C[NH+]3CCN(Cc4ccc(C#N)cc4)CC3)cc2oc1=O ZINC000506994130 561713420 /nfs/dbraw/zinc/71/34/20/561713420.db2.gz CVGXBFJVLWXEFI-UHFFFAOYSA-N 1 2 362.433 2.321 20 30 FEEDLO CC1(C)C[N@H+](CC(=O)Nc2cc(-n3cnnn3)ccc2F)[C@@H]1[C@H]1CCCO1 ZINC000329797130 554007587 /nfs/dbraw/zinc/00/75/87/554007587.db2.gz XDACELRYFWIQBP-NVXWUHKLSA-N 1 2 374.420 2.279 20 30 FEEDLO CC1(C)C[N@@H+](CC(=O)Nc2cc(-n3cnnn3)ccc2F)[C@@H]1[C@H]1CCCO1 ZINC000329797130 554007588 /nfs/dbraw/zinc/00/75/88/554007588.db2.gz XDACELRYFWIQBP-NVXWUHKLSA-N 1 2 374.420 2.279 20 30 FEEDLO Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]23)cc1 ZINC000329806367 554009291 /nfs/dbraw/zinc/00/92/91/554009291.db2.gz BASLAIBMPSOGRK-ZGXWSNOMSA-N 1 2 374.481 2.376 20 30 FEEDLO Cc1ccc(C(=O)N2CCSCC2)cc1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000329880214 554024306 /nfs/dbraw/zinc/02/43/06/554024306.db2.gz NHBXKMLRWGYLBN-INIZCTEOSA-N 1 2 363.483 2.103 20 30 FEEDLO Cc1ccc(C(=O)N2CCSCC2)cc1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000329880214 554024309 /nfs/dbraw/zinc/02/43/09/554024309.db2.gz NHBXKMLRWGYLBN-INIZCTEOSA-N 1 2 363.483 2.103 20 30 FEEDLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N1CCO[C@@]2(CCOC2)C1 ZINC000329910592 554029503 /nfs/dbraw/zinc/02/95/03/554029503.db2.gz VYESHYOFDFBVCV-KRWDZBQOSA-N 1 2 366.487 2.166 20 30 FEEDLO CC(C)C[C@@H]1OCCC[C@@H]1NC(=O)N1CCN(C)[C@@H](c2[nH+]ccn2C)C1 ZINC000329944160 554036785 /nfs/dbraw/zinc/03/67/85/554036785.db2.gz DZSZRMFNBDDNSR-BBWFWOEESA-N 1 2 363.506 2.216 20 30 FEEDLO CCN1CCN(C(=O)NCc2cn3ccc(C)cc3n2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329959726 554039316 /nfs/dbraw/zinc/03/93/16/554039316.db2.gz NLQGUYLJKROWQB-MRXNPFEDSA-N 1 2 367.457 2.159 20 30 FEEDLO Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNC(=O)NC[C@@H]1CCSC1 ZINC000329961941 554039856 /nfs/dbraw/zinc/03/98/56/554039856.db2.gz SKQLQOZVERYLOL-KKUMJFAQSA-N 1 2 370.494 2.461 20 30 FEEDLO Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNC(=O)NC[C@@H]1CCSC1 ZINC000329961941 554039861 /nfs/dbraw/zinc/03/98/61/554039861.db2.gz SKQLQOZVERYLOL-KKUMJFAQSA-N 1 2 370.494 2.461 20 30 FEEDLO Cc1nc2ccc(C(=O)NCC[NH+]3CCN(C(=O)C4CCC4)CC3)cc2o1 ZINC000329977413 554042870 /nfs/dbraw/zinc/04/28/70/554042870.db2.gz GDAQVKAPQWVXDX-UHFFFAOYSA-N 1 2 370.453 2.385 20 30 FEEDLO Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNC(=O)N[C@@H]1CCCOCC1 ZINC000329986156 554044456 /nfs/dbraw/zinc/04/44/56/554044456.db2.gz RQJAQWGOQQSJJK-XHSDSOJGSA-N 1 2 368.453 2.277 20 30 FEEDLO Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNC(=O)N[C@@H]1CCCOCC1 ZINC000329986156 554044458 /nfs/dbraw/zinc/04/44/58/554044458.db2.gz RQJAQWGOQQSJJK-XHSDSOJGSA-N 1 2 368.453 2.277 20 30 FEEDLO Cc1ccc([C@H](CNC(=O)N2C[C@H]3CC[C@@H](C2)O3)[NH+]2CCOCC2)s1 ZINC000330057737 554056430 /nfs/dbraw/zinc/05/64/30/554056430.db2.gz XXSMMSRGBAQTLG-XHSDSOJGSA-N 1 2 365.499 2.207 20 30 FEEDLO CC(C)c1ccc(C[NH+]2CCN(C(=O)c3cnn(C)c3C#N)CC2)cc1 ZINC000507519722 561731668 /nfs/dbraw/zinc/73/16/68/561731668.db2.gz JQMBMGXDFMPDEI-UHFFFAOYSA-N 1 2 351.454 2.373 20 30 FEEDLO C[C@@H]1C[N@H+](CC(=O)NCc2cnn(-c3ccccc3)c2)C[C@@]2(CCOC2)O1 ZINC000330074868 554060323 /nfs/dbraw/zinc/06/03/23/554060323.db2.gz LKGKMQMICZCUFL-OXQOHEQNSA-N 1 2 370.453 2.209 20 30 FEEDLO C[C@@H]1C[N@@H+](CC(=O)NCc2cnn(-c3ccccc3)c2)C[C@@]2(CCOC2)O1 ZINC000330074868 554060325 /nfs/dbraw/zinc/06/03/25/554060325.db2.gz LKGKMQMICZCUFL-OXQOHEQNSA-N 1 2 370.453 2.209 20 30 FEEDLO CC[C@@H]1C[N@H+](CC(=O)NC[C@@H]2Cc3ccccc3O2)C[C@]2(CCOC2)O1 ZINC000330081552 554061102 /nfs/dbraw/zinc/06/11/02/554061102.db2.gz AFOPTEGOGYSJJI-UWVAXJGDSA-N 1 2 360.454 2.217 20 30 FEEDLO CC[C@@H]1C[N@@H+](CC(=O)NC[C@@H]2Cc3ccccc3O2)C[C@]2(CCOC2)O1 ZINC000330081552 554061105 /nfs/dbraw/zinc/06/11/05/554061105.db2.gz AFOPTEGOGYSJJI-UWVAXJGDSA-N 1 2 360.454 2.217 20 30 FEEDLO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2c(C)nn(C)c2C)C[C@]2(CCOC2)O1 ZINC000330089431 554062850 /nfs/dbraw/zinc/06/28/50/554062850.db2.gz VUWDYPGBYVWNEA-RKVPGOIHSA-N 1 2 350.463 2.283 20 30 FEEDLO CC[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2c(C)nn(C)c2C)C[C@]2(CCOC2)O1 ZINC000330089431 554062851 /nfs/dbraw/zinc/06/28/51/554062851.db2.gz VUWDYPGBYVWNEA-RKVPGOIHSA-N 1 2 350.463 2.283 20 30 FEEDLO Cc1[nH+]c[nH]c1CNC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccccc1 ZINC000330106480 554065767 /nfs/dbraw/zinc/06/57/67/554065767.db2.gz KXXXUXFGZGHTGZ-MRXNPFEDSA-N 1 2 362.455 2.418 20 30 FEEDLO C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000330138602 554071822 /nfs/dbraw/zinc/07/18/22/554071822.db2.gz VQUZVJYLGBECKW-HZPDHXFCSA-N 1 2 363.506 2.756 20 30 FEEDLO C=CCCc1ccccc1NC(=O)C(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000507753599 561739902 /nfs/dbraw/zinc/73/99/02/561739902.db2.gz IAKFHLCGAWRWIF-SJLPKXTDSA-N 1 2 371.481 2.065 20 30 FEEDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)N1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000330276998 554097699 /nfs/dbraw/zinc/09/76/99/554097699.db2.gz NQZYKRZQAMAEFX-HUUCEWRRSA-N 1 2 369.473 2.267 20 30 FEEDLO CCN1CCN(C(=O)Nc2cnc(C(C)(C)C)nc2)C[C@H]1c1[nH]cc[nH+]1 ZINC000330347401 554109502 /nfs/dbraw/zinc/10/95/02/554109502.db2.gz HOQFVRCJOMZPKD-AWEZNQCLSA-N 1 2 357.462 2.422 20 30 FEEDLO CC(C)CNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](c2noc(C(C)C)n2)C1 ZINC000330500014 554130151 /nfs/dbraw/zinc/13/01/51/554130151.db2.gz MIMMBYHSNRJACM-CYBMUJFWSA-N 1 2 351.451 2.059 20 30 FEEDLO CC(C)CNC(=O)NC(=O)C[N@H+]1CCC[C@@H](c2noc(C(C)C)n2)C1 ZINC000330500014 554130152 /nfs/dbraw/zinc/13/01/52/554130152.db2.gz MIMMBYHSNRJACM-CYBMUJFWSA-N 1 2 351.451 2.059 20 30 FEEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN(c2snc(C)c2C#N)CC1 ZINC000330838320 554177951 /nfs/dbraw/zinc/17/79/51/554177951.db2.gz JCLZAVVCVZNSIT-HNNXBMFYSA-N 1 2 361.515 2.258 20 30 FEEDLO C[C@@H]1C[N@H+](C(C)(C)CNS(=O)(=O)CC2(C#N)CCCCC2)C[C@H](C)O1 ZINC000330888551 554183541 /nfs/dbraw/zinc/18/35/41/554183541.db2.gz UPTXIDXFGZWIJC-IYBDPMFKSA-N 1 2 371.547 2.268 20 30 FEEDLO C[C@@H]1C[N@@H+](C(C)(C)CNS(=O)(=O)CC2(C#N)CCCCC2)C[C@H](C)O1 ZINC000330888551 554183543 /nfs/dbraw/zinc/18/35/43/554183543.db2.gz UPTXIDXFGZWIJC-IYBDPMFKSA-N 1 2 371.547 2.268 20 30 FEEDLO C=CCn1c(-c2ccc(C)s2)nnc1N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000508474986 561763196 /nfs/dbraw/zinc/76/31/96/561763196.db2.gz XGMFICNYIKXBQU-HNNXBMFYSA-N 1 2 359.499 2.412 20 30 FEEDLO CCNC(=O)NC(=O)[C@H](C)[N@@H+]1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)OC(C)(C)C ZINC000331110034 554214574 /nfs/dbraw/zinc/21/45/74/554214574.db2.gz ILQNUWKOPQHKHD-XQLPTFJDSA-N 1 2 367.490 2.400 20 30 FEEDLO CCNC(=O)NC(=O)[C@H](C)[N@H+]1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)OC(C)(C)C ZINC000331110034 554214576 /nfs/dbraw/zinc/21/45/76/554214576.db2.gz ILQNUWKOPQHKHD-XQLPTFJDSA-N 1 2 367.490 2.400 20 30 FEEDLO CC(=O)N[C@H](C)C1CC[NH+](CC(=O)Nc2sc(C)c(C)c2C#N)CC1 ZINC000331124836 554217648 /nfs/dbraw/zinc/21/76/48/554217648.db2.gz OGMBVTHILLUEEP-GFCCVEGCSA-N 1 2 362.499 2.412 20 30 FEEDLO Cc1cccc(NC(=O)NC(=O)C[NH+]2CCC(O)(C(F)F)CC2)c1C ZINC000331131625 554218577 /nfs/dbraw/zinc/21/85/77/554218577.db2.gz GTUZZJHUZZFGSH-UHFFFAOYSA-N 1 2 355.385 2.057 20 30 FEEDLO CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)c2ccc(Cl)s2)CC1 ZINC000331155139 554223364 /nfs/dbraw/zinc/22/33/64/554223364.db2.gz DBHURNWLNYGDMJ-UHFFFAOYSA-N 1 2 357.863 2.093 20 30 FEEDLO CO[C@@H]1C[NH+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)C[C@H]1OC ZINC000331437918 554264845 /nfs/dbraw/zinc/26/48/45/554264845.db2.gz UYCVCLZFCKLWNC-QZTJIDSGSA-N 1 2 374.485 2.376 20 30 FEEDLO C=CCN1CC[C@H](N(C)C(=O)C[N@@H+](CC)Cc2ccccc2Cl)C1=O ZINC000509954375 561819783 /nfs/dbraw/zinc/81/97/83/561819783.db2.gz UVSWXVYJDJFMGQ-KRWDZBQOSA-N 1 2 363.889 2.407 20 30 FEEDLO C=CCN1CC[C@H](N(C)C(=O)C[N@H+](CC)Cc2ccccc2Cl)C1=O ZINC000509954375 561819784 /nfs/dbraw/zinc/81/97/84/561819784.db2.gz UVSWXVYJDJFMGQ-KRWDZBQOSA-N 1 2 363.889 2.407 20 30 FEEDLO C[C@H]1CCCCN1C(=O)C[NH+]1CCN(Cc2ccc(C#N)c(F)c2)CC1 ZINC000332555926 554471037 /nfs/dbraw/zinc/47/10/37/554471037.db2.gz SZBNKTCLIIYFOV-INIZCTEOSA-N 1 2 358.461 2.216 20 30 FEEDLO Cn1cc[nH+]c1[C@@H](NS(=O)(=O)c1ccc(C#N)c(Cl)c1)C1CC1 ZINC000510447701 561834671 /nfs/dbraw/zinc/83/46/71/561834671.db2.gz MTSRZTJBHYYQDS-AWEZNQCLSA-N 1 2 350.831 2.375 20 30 FEEDLO Cn1cc(C#N)c(=NC(=O)N[C@@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)[nH]1 ZINC000610564554 554530069 /nfs/dbraw/zinc/53/00/69/554530069.db2.gz SEZGWAVUQMZAAZ-CYBMUJFWSA-N 1 2 374.395 2.356 20 30 FEEDLO Cn1cc(C#N)c(=NC(=O)N[C@@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)[nH]1 ZINC000610564554 554530070 /nfs/dbraw/zinc/53/00/70/554530070.db2.gz SEZGWAVUQMZAAZ-CYBMUJFWSA-N 1 2 374.395 2.356 20 30 FEEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCCc2c(cnn2C)C1 ZINC000334031573 554670368 /nfs/dbraw/zinc/67/03/68/554670368.db2.gz LOWKPHPEMQZIRA-LFDOHDQPSA-N 1 2 357.502 2.488 20 30 FEEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCCc2c(cnn2C)C1 ZINC000334031573 554670370 /nfs/dbraw/zinc/67/03/70/554670370.db2.gz LOWKPHPEMQZIRA-LFDOHDQPSA-N 1 2 357.502 2.488 20 30 FEEDLO C=CCOC[C@H]1NC(=O)N([C@H](c2[nH+]ccn2C)c2ccc(Cl)cc2)C1=O ZINC000348501992 554687012 /nfs/dbraw/zinc/68/70/12/554687012.db2.gz RJIVFZNGQGHTFN-CABCVRRESA-N 1 2 374.828 2.286 20 30 FEEDLO Cc1ccc(-c2noc([C@H](C)n3cnc(C#N)n3)n2)c(N2CCCC2)[nH+]1 ZINC000350010624 554753857 /nfs/dbraw/zinc/75/38/57/554753857.db2.gz RENODCPBKWHKEO-LBPRGKRZSA-N 1 2 350.386 2.113 20 30 FEEDLO CC(=O)Nc1cccc2c1CC[N@H+](CC(=O)NCc1cccc(C#N)c1)C2 ZINC000360112717 554863176 /nfs/dbraw/zinc/86/31/76/554863176.db2.gz NRIUBYFHFKKDMH-UHFFFAOYSA-N 1 2 362.433 2.191 20 30 FEEDLO CC(=O)Nc1cccc2c1CC[N@@H+](CC(=O)NCc1cccc(C#N)c1)C2 ZINC000360112717 554863178 /nfs/dbraw/zinc/86/31/78/554863178.db2.gz NRIUBYFHFKKDMH-UHFFFAOYSA-N 1 2 362.433 2.191 20 30 FEEDLO N#Cc1cccc(-c2c[nH]c(CNc3[nH+]cnc(-n4cccn4)c3N)n2)c1 ZINC000361975341 554941796 /nfs/dbraw/zinc/94/17/96/554941796.db2.gz XUEHNDTUWVTCEU-UHFFFAOYSA-N 1 2 357.381 2.118 20 30 FEEDLO CC(C)c1nc(N(C)C)nc(NCc2nc(-c3cccc(C#N)c3)c[nH]2)[nH+]1 ZINC000362307095 554962354 /nfs/dbraw/zinc/96/23/54/554962354.db2.gz SVHFHTFWBTZTPV-UHFFFAOYSA-N 1 2 362.441 2.935 20 30 FEEDLO Cc1cn2c([nH+]1)CC[C@@H](NS(=O)(=O)c1ccc(C#N)c(Cl)c1)C2 ZINC000363167390 555044328 /nfs/dbraw/zinc/04/43/28/555044328.db2.gz ITKCCOZDUBHFJB-GFCCVEGCSA-N 1 2 350.831 2.010 20 30 FEEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCCN(C(=O)C(C)(C)C)CC1 ZINC000363230279 555059395 /nfs/dbraw/zinc/05/93/95/555059395.db2.gz GEFLOCXQKNTJHV-INIZCTEOSA-N 1 2 362.518 2.298 20 30 FEEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCCN(C(=O)C(C)(C)C)CC1 ZINC000363230279 555059397 /nfs/dbraw/zinc/05/93/97/555059397.db2.gz GEFLOCXQKNTJHV-INIZCTEOSA-N 1 2 362.518 2.298 20 30 FEEDLO Cc1nc([C@H]2CCC[N@@H+]([C@H]3CCN(c4sccc4C#N)C3=O)C2)no1 ZINC000363634116 555151425 /nfs/dbraw/zinc/15/14/25/555151425.db2.gz BJCPXDOUALSOGS-KBPBESRZSA-N 1 2 357.439 2.296 20 30 FEEDLO Cc1nc([C@H]2CCC[N@H+]([C@H]3CCN(c4sccc4C#N)C3=O)C2)no1 ZINC000363634116 555151429 /nfs/dbraw/zinc/15/14/29/555151429.db2.gz BJCPXDOUALSOGS-KBPBESRZSA-N 1 2 357.439 2.296 20 30 FEEDLO Cn1cc(C#N)c(=NC(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)[nH]1 ZINC000615500850 555206230 /nfs/dbraw/zinc/20/62/30/555206230.db2.gz JMJXCCHQKMIFQF-UHFFFAOYSA-N 1 2 358.833 2.125 20 30 FEEDLO Cn1cc(C#N)c(=NC(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)[nH]1 ZINC000615500850 555206233 /nfs/dbraw/zinc/20/62/33/555206233.db2.gz JMJXCCHQKMIFQF-UHFFFAOYSA-N 1 2 358.833 2.125 20 30 FEEDLO C=CC[N@@H+](C[C@@H](C)CS(C)(=O)=O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000363946229 555219494 /nfs/dbraw/zinc/21/94/94/555219494.db2.gz BZPQQWBUKPUWKK-IEBWSBKVSA-N 1 2 350.528 2.430 20 30 FEEDLO C=CC[N@H+](C[C@@H](C)CS(C)(=O)=O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000363946229 555219498 /nfs/dbraw/zinc/21/94/98/555219498.db2.gz BZPQQWBUKPUWKK-IEBWSBKVSA-N 1 2 350.528 2.430 20 30 FEEDLO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)NCc3ccn4cc[nH+]c4c3)C2)n1 ZINC000364396676 555305478 /nfs/dbraw/zinc/30/54/78/555305478.db2.gz CSSGHVUTHKLELP-SFHVURJKSA-N 1 2 374.448 2.442 20 30 FEEDLO CCCC[C@H](ON=C(C)C)C(=O)N1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000364922863 555438868 /nfs/dbraw/zinc/43/88/68/555438868.db2.gz WOCOFWZMYZIVDB-OALUTQOASA-N 1 2 366.550 2.444 20 30 FEEDLO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)cc1C ZINC000364955649 555449418 /nfs/dbraw/zinc/44/94/18/555449418.db2.gz QOOMFIDZXFUQON-ILZDJORESA-N 1 2 368.481 2.136 20 30 FEEDLO Cc1ccc(N(CCC#N)C(=O)C[N@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)cc1C ZINC000364955649 555449421 /nfs/dbraw/zinc/44/94/21/555449421.db2.gz QOOMFIDZXFUQON-ILZDJORESA-N 1 2 368.481 2.136 20 30 FEEDLO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)cc1C ZINC000364955651 555449430 /nfs/dbraw/zinc/44/94/30/555449430.db2.gz QOOMFIDZXFUQON-QRFRQXIXSA-N 1 2 368.481 2.136 20 30 FEEDLO Cc1ccc(N(CCC#N)C(=O)C[N@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)cc1C ZINC000364955651 555449435 /nfs/dbraw/zinc/44/94/35/555449435.db2.gz QOOMFIDZXFUQON-QRFRQXIXSA-N 1 2 368.481 2.136 20 30 FEEDLO C=CCN1CC(=O)N([C@H](CC)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1=O ZINC000365333257 555545561 /nfs/dbraw/zinc/54/55/61/555545561.db2.gz WLJIAELUJWVEAB-MSOLQXFVSA-N 1 2 357.454 2.116 20 30 FEEDLO C=CCN1CC(=O)N([C@H](CC)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1=O ZINC000365333257 555545562 /nfs/dbraw/zinc/54/55/62/555545562.db2.gz WLJIAELUJWVEAB-MSOLQXFVSA-N 1 2 357.454 2.116 20 30 FEEDLO C#CC[C@]1(C(=O)N2CCn3c[nH+]cc3C2)CCCN1C(=O)OC(C)(C)C ZINC000365697546 555643444 /nfs/dbraw/zinc/64/34/44/555643444.db2.gz JZGLQYUCWONGLR-LJQANCHMSA-N 1 2 358.442 2.018 20 30 FEEDLO Cc1oc(NC(=O)C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c(C#N)c1C ZINC000365823787 555676146 /nfs/dbraw/zinc/67/61/46/555676146.db2.gz WLFVKVMLXSMTBO-UHFFFAOYSA-N 1 2 372.385 2.148 20 30 FEEDLO N#Cc1c(C#N)c(N2CC[NH+]([C@H]3CCOC3)CC2)nc2c1CCCCCC2 ZINC000366430404 555841378 /nfs/dbraw/zinc/84/13/78/555841378.db2.gz MPBDLFHOLKKQNX-INIZCTEOSA-N 1 2 365.481 2.395 20 30 FEEDLO CC(C)(C#N)c1ccc(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)cc1 ZINC000366819442 555943250 /nfs/dbraw/zinc/94/32/50/555943250.db2.gz AKDOJLDJZYQGJT-HXUWFJFHSA-N 1 2 373.522 2.425 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N2CCc3sccc3[C@@H]2CC)C1=O ZINC000366873499 555957122 /nfs/dbraw/zinc/95/71/22/555957122.db2.gz ZVJTUUVPSYQURV-HOTGVXAUSA-N 1 2 361.511 2.303 20 30 FEEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N2CCc3sccc3[C@@H]2CC)C1=O ZINC000366873499 555957126 /nfs/dbraw/zinc/95/71/26/555957126.db2.gz ZVJTUUVPSYQURV-HOTGVXAUSA-N 1 2 361.511 2.303 20 30 FEEDLO Cc1cc(F)ccc1[C@@H]1C(=O)NCCN1Cc1c[nH+]c2ccc(C#N)cn12 ZINC000367438928 556049513 /nfs/dbraw/zinc/04/95/13/556049513.db2.gz QHYDDRVSTDNSPF-LJQANCHMSA-N 1 2 363.396 2.327 20 30 FEEDLO Cn1ccc(/C=C2\CN(c3cccc[nH+]3)C/C(=C\c3ccn(C)n3)C2=O)n1 ZINC000367564587 556084482 /nfs/dbraw/zinc/08/44/82/556084482.db2.gz OYCQVDZRPOAWJR-JOBJLJCHSA-N 1 2 360.421 2.105 20 30 FEEDLO N#Cc1ccc(N2CCC(C(=O)N[C@@H]3CCc4[nH+]c[nH]c4C3)CC2)c(F)c1 ZINC000367608038 556096104 /nfs/dbraw/zinc/09/61/04/556096104.db2.gz PWUDUOLDQRNGPK-OAHLLOKOSA-N 1 2 367.428 2.311 20 30 FEEDLO N#Cc1ccc(N2CCC(C(=O)N[C@@H]3CCc4[nH]c[nH+]c4C3)CC2)c(F)c1 ZINC000367608038 556096106 /nfs/dbraw/zinc/09/61/06/556096106.db2.gz PWUDUOLDQRNGPK-OAHLLOKOSA-N 1 2 367.428 2.311 20 30 FEEDLO Cc1ccc(NC(=O)C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c(F)c1 ZINC000515276168 562003067 /nfs/dbraw/zinc/00/30/67/562003067.db2.gz HSVGDLKSARBHAQ-HNNXBMFYSA-N 1 2 354.385 2.493 20 30 FEEDLO Cc1ccc(NC(=O)C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c(F)c1 ZINC000515276168 562003068 /nfs/dbraw/zinc/00/30/68/562003068.db2.gz HSVGDLKSARBHAQ-HNNXBMFYSA-N 1 2 354.385 2.493 20 30 FEEDLO C[N@@H+]1CCN(C2CCN(c3cc(C#N)ccc3C(F)(F)F)CC2)C(=O)C1 ZINC000368432205 556307999 /nfs/dbraw/zinc/30/79/99/556307999.db2.gz DITXEKMIWREPPO-UHFFFAOYSA-N 1 2 366.387 2.320 20 30 FEEDLO C[N@H+]1CCN(C2CCN(c3cc(C#N)ccc3C(F)(F)F)CC2)C(=O)C1 ZINC000368432205 556308003 /nfs/dbraw/zinc/30/80/03/556308003.db2.gz DITXEKMIWREPPO-UHFFFAOYSA-N 1 2 366.387 2.320 20 30 FEEDLO CCc1nc([C@H]2CCC[N@@H+]([C@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)no1 ZINC000368996524 556471622 /nfs/dbraw/zinc/47/16/22/556471622.db2.gz WFBLTTLXLVGXEW-RDJZCZTQSA-N 1 2 365.437 2.489 20 30 FEEDLO CCc1nc([C@H]2CCC[N@H+]([C@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)no1 ZINC000368996524 556471626 /nfs/dbraw/zinc/47/16/26/556471626.db2.gz WFBLTTLXLVGXEW-RDJZCZTQSA-N 1 2 365.437 2.489 20 30 FEEDLO N#Cc1ccc(C[C@H](C#N)C(=O)N[C@H]2CCCN(c3cccc[nH+]3)C2)cc1 ZINC000369406166 556593343 /nfs/dbraw/zinc/59/33/43/556593343.db2.gz IKFBZXTWVIMVHQ-MOPGFXCFSA-N 1 2 359.433 2.421 20 30 FEEDLO CC(C)Cn1cnnc1[C@@H]1CCC[N@@H+]1C[C@H](O)COc1ccc(C#N)cc1 ZINC000369543386 556626396 /nfs/dbraw/zinc/62/63/96/556626396.db2.gz GEBYAEIVQSYXIZ-HKUYNNGSSA-N 1 2 369.469 2.383 20 30 FEEDLO CC(C)Cn1cnnc1[C@@H]1CCC[N@H+]1C[C@H](O)COc1ccc(C#N)cc1 ZINC000369543386 556626399 /nfs/dbraw/zinc/62/63/99/556626399.db2.gz GEBYAEIVQSYXIZ-HKUYNNGSSA-N 1 2 369.469 2.383 20 30 FEEDLO N#CC1(CS(=O)(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)CCC1 ZINC000516442411 562042972 /nfs/dbraw/zinc/04/29/72/562042972.db2.gz UCVJZISAIDUDSE-UHFFFAOYSA-N 1 2 362.499 2.422 20 30 FEEDLO N#Cc1ccc2[nH+]cc(CN3CCS(=O)(=O)C[C@@H]3c3ccccc3)n2c1 ZINC000370232787 556817905 /nfs/dbraw/zinc/81/79/05/556817905.db2.gz YUVNNHIAWAQSEK-GOSISDBHSA-N 1 2 366.446 2.178 20 30 FEEDLO C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000370673049 556936277 /nfs/dbraw/zinc/93/62/77/556936277.db2.gz JUGVVSMRPSVJAM-ZDUSSCGKSA-N 1 2 361.471 2.221 20 30 FEEDLO COc1c(C)[nH+]c(C2CC2)nc1N1CCN(c2cnccc2C#N)CC1 ZINC000516938321 562066248 /nfs/dbraw/zinc/06/62/48/562066248.db2.gz VHAHWCWTBVTPTJ-UHFFFAOYSA-N 1 2 350.426 2.264 20 30 FEEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H](c3ccncn3)C2)c1 ZINC000370988362 557037617 /nfs/dbraw/zinc/03/76/17/557037617.db2.gz OIGGITOPTNVNSX-MRXNPFEDSA-N 1 2 356.451 2.002 20 30 FEEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCC[C@@H](c3ccncn3)C2)c1 ZINC000370988362 557037620 /nfs/dbraw/zinc/03/76/20/557037620.db2.gz OIGGITOPTNVNSX-MRXNPFEDSA-N 1 2 356.451 2.002 20 30 FEEDLO N#Cc1cccc(CNC(=O)C[N@@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)c1 ZINC000371384577 557169109 /nfs/dbraw/zinc/16/91/09/557169109.db2.gz LWTXUNQYCASVGI-KRWDZBQOSA-N 1 2 364.453 2.050 20 30 FEEDLO N#Cc1cccc(CNC(=O)C[N@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)c1 ZINC000371384577 557169113 /nfs/dbraw/zinc/16/91/13/557169113.db2.gz LWTXUNQYCASVGI-KRWDZBQOSA-N 1 2 364.453 2.050 20 30 FEEDLO N#Cc1cccc(CNC(=O)C[N@@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)c1 ZINC000371384577 557169116 /nfs/dbraw/zinc/16/91/16/557169116.db2.gz LWTXUNQYCASVGI-KRWDZBQOSA-N 1 2 364.453 2.050 20 30 FEEDLO N#Cc1cccc(CNC(=O)C[N@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)c1 ZINC000371384577 557169119 /nfs/dbraw/zinc/16/91/19/557169119.db2.gz LWTXUNQYCASVGI-KRWDZBQOSA-N 1 2 364.453 2.050 20 30 FEEDLO N#C[C@H]1C[N@@H+](Cc2c[nH]nc2-c2cccnc2)C[C@@]12C(=O)Nc1ccccc12 ZINC000371465926 557190145 /nfs/dbraw/zinc/19/01/45/557190145.db2.gz JNEQBGFMGHDCTG-HRAATJIYSA-N 1 2 370.416 2.317 20 30 FEEDLO N#C[C@H]1C[N@H+](Cc2c[nH]nc2-c2cccnc2)C[C@@]12C(=O)Nc1ccccc12 ZINC000371465926 557190147 /nfs/dbraw/zinc/19/01/47/557190147.db2.gz JNEQBGFMGHDCTG-HRAATJIYSA-N 1 2 370.416 2.317 20 30 FEEDLO N#CCCN(CC1CC1)C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000518134215 562105180 /nfs/dbraw/zinc/10/51/80/562105180.db2.gz IWHXBLRABPSEGL-SFHVURJKSA-N 1 2 371.485 2.170 20 30 FEEDLO N#CCCN(CC1CC1)C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000518134215 562105181 /nfs/dbraw/zinc/10/51/81/562105181.db2.gz IWHXBLRABPSEGL-SFHVURJKSA-N 1 2 371.485 2.170 20 30 FEEDLO C=CCOc1cccc(NC(=O)N2CC[NH+](Cc3cnn(C)c3)CC2)c1 ZINC000518514532 562113287 /nfs/dbraw/zinc/11/32/87/562113287.db2.gz YVXBJPHFLYGZLU-UHFFFAOYSA-N 1 2 355.442 2.335 20 30 FEEDLO Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000372056937 557369144 /nfs/dbraw/zinc/36/91/44/557369144.db2.gz ZTYMPERLXJXDLC-INIZCTEOSA-N 1 2 365.437 2.020 20 30 FEEDLO N#Cc1ccncc1N1CC[NH+]([C@H]2CCN(c3ccc(F)cc3)C2=O)CC1 ZINC000518928497 562121172 /nfs/dbraw/zinc/12/11/72/562121172.db2.gz MHHBONNHJWBOAD-SFHVURJKSA-N 1 2 365.412 2.020 20 30 FEEDLO C=CCc1ccc(OCC(=O)N[C@@H]2CCc3[nH+]c(C)cn3C2)c(OC)c1 ZINC000372550175 557501448 /nfs/dbraw/zinc/50/14/48/557501448.db2.gz LJLBVIAMWJEVEC-MRXNPFEDSA-N 1 2 355.438 2.439 20 30 FEEDLO CCCCCCCC(=O)N1C[C@@H](O)[C@@H]([N@H+](CC)Cc2nnc(C)o2)C1 ZINC000372579320 557511489 /nfs/dbraw/zinc/51/14/89/557511489.db2.gz WMVRYYSBIUDXIH-JKSUJKDBSA-N 1 2 352.479 2.132 20 30 FEEDLO CCCCCCCC(=O)N1C[C@@H](O)[C@@H]([N@@H+](CC)Cc2nnc(C)o2)C1 ZINC000372579320 557511491 /nfs/dbraw/zinc/51/14/91/557511491.db2.gz WMVRYYSBIUDXIH-JKSUJKDBSA-N 1 2 352.479 2.132 20 30 FEEDLO N#Cc1ccc(NC(=O)C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc1Cl ZINC000372685784 557537370 /nfs/dbraw/zinc/53/73/70/557537370.db2.gz SNDXYWLKGZCHIY-UHFFFAOYSA-N 1 2 357.801 2.279 20 30 FEEDLO N#Cc1ccc(NC(=O)C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc1Cl ZINC000372685784 557537372 /nfs/dbraw/zinc/53/73/72/557537372.db2.gz SNDXYWLKGZCHIY-UHFFFAOYSA-N 1 2 357.801 2.279 20 30 FEEDLO CN(Cc1nccc(N)n1)[C@@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2Cl)C1 ZINC000373023996 557611986 /nfs/dbraw/zinc/61/19/86/557611986.db2.gz BOZYQPAHOKATJT-CYBMUJFWSA-N 1 2 374.851 2.429 20 30 FEEDLO CN(Cc1nccc(N)n1)[C@@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2Cl)C1 ZINC000373023996 557611989 /nfs/dbraw/zinc/61/19/89/557611989.db2.gz BOZYQPAHOKATJT-CYBMUJFWSA-N 1 2 374.851 2.429 20 30 FEEDLO C[N@H+](Cc1nccc(N)n1)[C@@H]1CCN(Cc2ccc(F)c(C#N)c2Cl)C1 ZINC000373023996 557611992 /nfs/dbraw/zinc/61/19/92/557611992.db2.gz BOZYQPAHOKATJT-CYBMUJFWSA-N 1 2 374.851 2.429 20 30 FEEDLO C[N@@H+](Cc1nccc(N)n1)[C@@H]1CCN(Cc2ccc(F)c(C#N)c2Cl)C1 ZINC000373023996 557611994 /nfs/dbraw/zinc/61/19/94/557611994.db2.gz BOZYQPAHOKATJT-CYBMUJFWSA-N 1 2 374.851 2.429 20 30 FEEDLO CN(C1CCN(c2cccc[nH+]2)CC1)S(=O)(=O)c1ccc(C#N)s1 ZINC000373820788 557766364 /nfs/dbraw/zinc/76/63/64/557766364.db2.gz ZNBNKHNQNCNTSO-UHFFFAOYSA-N 1 2 362.480 2.304 20 30 FEEDLO CN(C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C)c1c(C#N)cccc1C#N ZINC000373823597 557767036 /nfs/dbraw/zinc/76/70/36/557767036.db2.gz DXHFRMPCTFPBNV-IRXDYDNUSA-N 1 2 352.417 2.212 20 30 FEEDLO Cc1oc(NC(=O)C[N@H+]2CCC[C@@H](c3nc(N(C)C)no3)C2)c(C#N)c1C ZINC000374617692 557907531 /nfs/dbraw/zinc/90/75/31/557907531.db2.gz DCWTWVUZFOUVBO-CYBMUJFWSA-N 1 2 372.429 2.035 20 30 FEEDLO Cc1oc(NC(=O)C[N@@H+]2CCC[C@@H](c3nc(N(C)C)no3)C2)c(C#N)c1C ZINC000374617692 557907533 /nfs/dbraw/zinc/90/75/33/557907533.db2.gz DCWTWVUZFOUVBO-CYBMUJFWSA-N 1 2 372.429 2.035 20 30 FEEDLO CC[C@@H]1C[N@@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@@]2(CCCOC2)O1 ZINC000376016947 558114234 /nfs/dbraw/zinc/11/42/34/558114234.db2.gz ZFUQHBKMWCFRQC-SVFBPWRDSA-N 1 2 369.465 2.324 20 30 FEEDLO CC[C@@H]1C[N@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@@]2(CCCOC2)O1 ZINC000376016947 558114237 /nfs/dbraw/zinc/11/42/37/558114237.db2.gz ZFUQHBKMWCFRQC-SVFBPWRDSA-N 1 2 369.465 2.324 20 30 FEEDLO N#CCCn1ccc(=NC(=O)[C@@H]2CCn3c(c[nH+]c3-c3ccccc3)C2)[nH]1 ZINC000376169506 558135939 /nfs/dbraw/zinc/13/59/39/558135939.db2.gz ZWSABNVEAJQMOU-MRXNPFEDSA-N 1 2 360.421 2.861 20 30 FEEDLO C=CC[N@@H+](Cc1nnnn1CCCC)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000521808510 562183999 /nfs/dbraw/zinc/18/39/99/562183999.db2.gz IJVXGKUOJVMQTO-OAHLLOKOSA-N 1 2 367.461 2.198 20 30 FEEDLO C=CC[N@H+](Cc1nnnn1CCCC)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000521808510 562184000 /nfs/dbraw/zinc/18/40/00/562184000.db2.gz IJVXGKUOJVMQTO-OAHLLOKOSA-N 1 2 367.461 2.198 20 30 FEEDLO C=CC[C@H](CO)NC(=O)N[C@H]1CC[N@@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000376837108 558228036 /nfs/dbraw/zinc/22/80/36/558228036.db2.gz RLRVXGNIRFADAH-PVUWLOKVSA-N 1 2 371.403 2.475 20 30 FEEDLO C=CC[C@H](CO)NC(=O)N[C@H]1CC[N@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000376837108 558228038 /nfs/dbraw/zinc/22/80/38/558228038.db2.gz RLRVXGNIRFADAH-PVUWLOKVSA-N 1 2 371.403 2.475 20 30 FEEDLO C[C@H](O)c1ncc(C[N@@H+]2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)s1 ZINC000377551154 558362367 /nfs/dbraw/zinc/36/23/67/558362367.db2.gz VKICFHNCEBMMCP-OAVHHTNSSA-N 1 2 354.435 2.042 20 30 FEEDLO C[C@H](O)c1ncc(C[N@H+]2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)s1 ZINC000377551154 558362369 /nfs/dbraw/zinc/36/23/69/558362369.db2.gz VKICFHNCEBMMCP-OAVHHTNSSA-N 1 2 354.435 2.042 20 30 FEEDLO C[C@H](O)c1ncc(C[N@@H+]2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)s1 ZINC000377551155 558362595 /nfs/dbraw/zinc/36/25/95/558362595.db2.gz VKICFHNCEBMMCP-PZROIBLQSA-N 1 2 354.435 2.042 20 30 FEEDLO C[C@H](O)c1ncc(C[N@H+]2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)s1 ZINC000377551155 558362596 /nfs/dbraw/zinc/36/25/96/558362596.db2.gz VKICFHNCEBMMCP-PZROIBLQSA-N 1 2 354.435 2.042 20 30 FEEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH2+]Cc1nnc2n1C[C@H](C(F)(F)F)CC2 ZINC000377823173 558426895 /nfs/dbraw/zinc/42/68/95/558426895.db2.gz HFPRQORNEHFLPM-QWHCGFSZSA-N 1 2 371.407 2.082 20 30 FEEDLO CC(C)(C#N)CCS(=O)(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000377838903 558432468 /nfs/dbraw/zinc/43/24/68/558432468.db2.gz DFZRBLXEDKUWND-UHFFFAOYSA-N 1 2 350.419 2.371 20 30 FEEDLO COC(=O)c1ccc(C[N@@H+]2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)cc1 ZINC000378285128 558519538 /nfs/dbraw/zinc/51/95/38/558519538.db2.gz HTGDTVLZDALJNL-HRAATJIYSA-N 1 2 361.401 2.319 20 30 FEEDLO COC(=O)c1ccc(C[N@H+]2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)cc1 ZINC000378285128 558519540 /nfs/dbraw/zinc/51/95/40/558519540.db2.gz HTGDTVLZDALJNL-HRAATJIYSA-N 1 2 361.401 2.319 20 30 FEEDLO COC(=O)c1oc(C[N@@H+]2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)cc1C ZINC000378285801 558520146 /nfs/dbraw/zinc/52/01/46/558520146.db2.gz HTTJRBUTRQRFEI-ZUOKHONESA-N 1 2 365.389 2.220 20 30 FEEDLO COC(=O)c1oc(C[N@H+]2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)cc1C ZINC000378285801 558520148 /nfs/dbraw/zinc/52/01/48/558520148.db2.gz HTTJRBUTRQRFEI-ZUOKHONESA-N 1 2 365.389 2.220 20 30 FEEDLO Cc1n[nH]c(C)c1[C@@H]1COCC[N@@H+]1CCC(=O)Nc1ccccc1C#N ZINC000378340552 558533926 /nfs/dbraw/zinc/53/39/26/558533926.db2.gz QKTZXHKSQFTDGK-KRWDZBQOSA-N 1 2 353.426 2.300 20 30 FEEDLO Cc1n[nH]c(C)c1[C@@H]1COCC[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000378340552 558533930 /nfs/dbraw/zinc/53/39/30/558533930.db2.gz QKTZXHKSQFTDGK-KRWDZBQOSA-N 1 2 353.426 2.300 20 30 FEEDLO COc1cc(C#N)ccc1C[N@@H+]1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000378360076 558538708 /nfs/dbraw/zinc/53/87/08/558538708.db2.gz JQRNUAPCTXQESA-IIBYNOLFSA-N 1 2 358.401 2.412 20 30 FEEDLO COc1cc(C#N)ccc1C[N@H+]1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000378360076 558538710 /nfs/dbraw/zinc/53/87/10/558538710.db2.gz JQRNUAPCTXQESA-IIBYNOLFSA-N 1 2 358.401 2.412 20 30 FEEDLO CC(=O)N1CC[N@@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC12CCCCC2 ZINC000408044962 558640765 /nfs/dbraw/zinc/64/07/65/558640765.db2.gz DAMVXJFAZHBEPW-APWZRJJASA-N 1 2 362.518 2.296 20 30 FEEDLO CC(=O)N1CC[N@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC12CCCCC2 ZINC000408044962 558640766 /nfs/dbraw/zinc/64/07/66/558640766.db2.gz DAMVXJFAZHBEPW-APWZRJJASA-N 1 2 362.518 2.296 20 30 FEEDLO N#Cc1cc(S(=O)(=O)NCCNc2cccc[nH+]2)ccc1C(F)(F)F ZINC000409499040 558697552 /nfs/dbraw/zinc/69/75/52/558697552.db2.gz GOHLOFSBISQUKG-UHFFFAOYSA-N 1 2 370.356 2.362 20 30 FEEDLO N#Cc1ccc(N2CC[NH+]([C@H]3CCN(c4ccc(F)cc4)C3=O)CC2)nc1 ZINC000411193701 558851356 /nfs/dbraw/zinc/85/13/56/558851356.db2.gz SUHUSICYTXJKNA-SFHVURJKSA-N 1 2 365.412 2.020 20 30 FEEDLO C=CC[N@H+](Cc1cc(Br)ccc1F)[C@H](C)C(=O)NC(=O)NC ZINC000411230543 558857011 /nfs/dbraw/zinc/85/70/11/558857011.db2.gz YRPRXWOSYXJOKW-SNVBAGLBSA-N 1 2 372.238 2.420 20 30 FEEDLO C=CC[N@@H+](Cc1cc(Br)ccc1F)[C@H](C)C(=O)NC(=O)NC ZINC000411230543 558857013 /nfs/dbraw/zinc/85/70/13/558857013.db2.gz YRPRXWOSYXJOKW-SNVBAGLBSA-N 1 2 372.238 2.420 20 30 FEEDLO C[C@H](CCC#N)N1CC[NH+]([C@@H]2CCCN(Cc3ccccc3)C2=O)CC1 ZINC000411500079 558906351 /nfs/dbraw/zinc/90/63/51/558906351.db2.gz SEGYWGGAWJSHBA-UYAOXDASSA-N 1 2 354.498 2.487 20 30 FEEDLO Cc1cc(NC[C@@]2([NH+]3CCOCC3)CCSC2)c(C#N)cc1[N+](=O)[O-] ZINC000413063712 559074261 /nfs/dbraw/zinc/07/42/61/559074261.db2.gz BGHPASMKJDPIMO-KRWDZBQOSA-N 1 2 362.455 2.395 20 30 FEEDLO C[NH+]1CCN([C@H](CNC(=O)c2ccc(C#N)c(O)c2)c2cccs2)CC1 ZINC000527196059 562279679 /nfs/dbraw/zinc/27/96/79/562279679.db2.gz DGJIRAXORZMHDV-MRXNPFEDSA-N 1 2 370.478 2.044 20 30 FEEDLO CC(C)[N@@H+]1CC[C@H](NS(=O)(=O)[C@@H](C)C#N)[C@H]1c1ccc(F)c(F)c1 ZINC000416458345 559314364 /nfs/dbraw/zinc/31/43/64/559314364.db2.gz QAWOBBZNYFNXHH-KNXALSJPSA-N 1 2 357.426 2.320 20 30 FEEDLO CC(C)[N@H+]1CC[C@H](NS(=O)(=O)[C@@H](C)C#N)[C@H]1c1ccc(F)c(F)c1 ZINC000416458345 559314365 /nfs/dbraw/zinc/31/43/65/559314365.db2.gz QAWOBBZNYFNXHH-KNXALSJPSA-N 1 2 357.426 2.320 20 30 FEEDLO Cc1cc(=NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)[nH]n1C(C)C ZINC000421186960 559529863 /nfs/dbraw/zinc/52/98/63/559529863.db2.gz USEBLOCZVLPOHC-UHFFFAOYSA-N 1 2 366.469 2.994 20 30 FEEDLO COC(=O)c1cnc([C@@H](C)[NH2+]CC(=O)N(C)C2(C#N)CCCCC2)s1 ZINC000425491217 559705169 /nfs/dbraw/zinc/70/51/69/559705169.db2.gz QEUKYCIMSDTDPX-GFCCVEGCSA-N 1 2 364.471 2.265 20 30 FEEDLO N#CCCN(C(=O)CCC(=O)N[C@@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000428004899 559767359 /nfs/dbraw/zinc/76/73/59/559767359.db2.gz IMFJKLAEKULHEA-MRXNPFEDSA-N 1 2 365.437 2.041 20 30 FEEDLO CO[C@H](C)c1noc(CN2CCC[N@H+](Cc3cccc(F)c3C#N)CC2)n1 ZINC000428219273 559771682 /nfs/dbraw/zinc/77/16/82/559771682.db2.gz OMTPHZPDXFXKHD-CQSZACIVSA-N 1 2 373.432 2.496 20 30 FEEDLO CO[C@H](C)c1noc(CN2CCC[N@@H+](Cc3cccc(F)c3C#N)CC2)n1 ZINC000428219273 559771683 /nfs/dbraw/zinc/77/16/83/559771683.db2.gz OMTPHZPDXFXKHD-CQSZACIVSA-N 1 2 373.432 2.496 20 30 FEEDLO N#Cc1c(F)cccc1C[NH+]1CCC(S(=O)(=O)N2CCCC2)CC1 ZINC000428939549 559786223 /nfs/dbraw/zinc/78/62/23/559786223.db2.gz AHRUWBBVJGPAAH-UHFFFAOYSA-N 1 2 351.447 2.087 20 30 FEEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCN(c2ccc(Cl)cc2)CC1(C)C ZINC000429289454 559794884 /nfs/dbraw/zinc/79/48/84/559794884.db2.gz DOMOGDDMUOKXKE-UHFFFAOYSA-N 1 2 364.877 2.252 20 30 FEEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCN(c2ccc(Cl)cc2)CC1(C)C ZINC000429289454 559794885 /nfs/dbraw/zinc/79/48/85/559794885.db2.gz DOMOGDDMUOKXKE-UHFFFAOYSA-N 1 2 364.877 2.252 20 30 FEEDLO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000430227500 559815683 /nfs/dbraw/zinc/81/56/83/559815683.db2.gz RILVTVWUQYXBPG-UHFFFAOYSA-N 1 2 353.382 2.192 20 30 FEEDLO C[C@@H]([NH2+]CC(=O)NC1(C#N)CCCCC1)c1ncc(Br)cn1 ZINC000432992612 559869444 /nfs/dbraw/zinc/86/94/44/559869444.db2.gz KBHQNYFOJFYDOG-LLVKDONJSA-N 1 2 366.263 2.232 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+](C)[C@@H](CO)COC(C)C)c1 ZINC000433168248 559872959 /nfs/dbraw/zinc/87/29/59/559872959.db2.gz QYUALMSEYDLINK-IBGZPJMESA-N 1 2 361.486 2.268 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](C)[C@@H](CO)COC(C)C)c1 ZINC000433168248 559872960 /nfs/dbraw/zinc/87/29/60/559872960.db2.gz QYUALMSEYDLINK-IBGZPJMESA-N 1 2 361.486 2.268 20 30 FEEDLO N#Cc1cc(F)ccc1NC(=O)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000435634926 559926998 /nfs/dbraw/zinc/92/69/98/559926998.db2.gz FYPBRTKWZAZFGU-UHFFFAOYSA-N 1 2 372.425 2.042 20 30 FEEDLO N#Cc1ccc(CN2CC[NH+](CC(=O)N3CCCCC3)CC2)c(Cl)c1 ZINC000439435744 559993910 /nfs/dbraw/zinc/99/39/10/559993910.db2.gz VNQIASFALNNMPZ-UHFFFAOYSA-N 1 2 360.889 2.342 20 30 FEEDLO CC(C)(C)OC(=O)C[NH2+][C@@]1(C)CCN(c2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000440636706 560015218 /nfs/dbraw/zinc/01/52/18/560015218.db2.gz GIRCFXBTRGETHI-SFHVURJKSA-N 1 2 360.414 2.367 20 30 FEEDLO CC[N@H+](CC(=O)Nc1ccccc1SC[C@@H](C)C#N)[C@@H]1CCNC1=O ZINC000440964079 560020357 /nfs/dbraw/zinc/02/03/57/560020357.db2.gz FJHWOSLSYBVCPX-DZGCQCFKSA-N 1 2 360.483 2.087 20 30 FEEDLO CC[N@@H+](CC(=O)Nc1ccccc1SC[C@@H](C)C#N)[C@@H]1CCNC1=O ZINC000440964079 560020358 /nfs/dbraw/zinc/02/03/58/560020358.db2.gz FJHWOSLSYBVCPX-DZGCQCFKSA-N 1 2 360.483 2.087 20 30 FEEDLO Cc1nc(N2CCN(c3ccc(C#N)cc3Cl)CC2)nc(N(C)C)[nH+]1 ZINC000443970088 560097748 /nfs/dbraw/zinc/09/77/48/560097748.db2.gz ZPGWRCXTRIXCKS-UHFFFAOYSA-N 1 2 357.849 2.098 20 30 FEEDLO Cc1nc(N(C)C)nc(N2CCN(c3ccc(C#N)cc3Cl)CC2)[nH+]1 ZINC000443970088 560097749 /nfs/dbraw/zinc/09/77/49/560097749.db2.gz ZPGWRCXTRIXCKS-UHFFFAOYSA-N 1 2 357.849 2.098 20 30 FEEDLO C[C@@H](Oc1ccccn1)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000449040905 560213997 /nfs/dbraw/zinc/21/39/97/560213997.db2.gz KAVPLCVBQHNECU-MRXNPFEDSA-N 1 2 350.422 2.065 20 30 FEEDLO C[C@H]1CN(c2ccc(CNc3ncc(C#N)cc3[N+](=O)[O-])c[nH+]2)C[C@H](C)O1 ZINC000450258024 560256051 /nfs/dbraw/zinc/25/60/51/560256051.db2.gz YVTCATLYCSLLAD-STQMWFEESA-N 1 2 368.397 2.482 20 30 FEEDLO CN(C)c1nc(N2CCN(c3ccc(C#N)cn3)CC2)[nH+]c2ccccc21 ZINC000450268717 560256508 /nfs/dbraw/zinc/25/65/08/560256508.db2.gz IHDPJHMTFAUZEY-UHFFFAOYSA-N 1 2 359.437 2.289 20 30 FEEDLO C[NH+](C)[C@@H](CNc1nc2c(cc1C#N)COCC2)c1c(F)cccc1F ZINC000450332979 560258874 /nfs/dbraw/zinc/25/88/74/560258874.db2.gz PESNCZYJJLLMNV-KRWDZBQOSA-N 1 2 358.392 3.019 20 30 FEEDLO CNc1nc(N2CCN(c3snc(C)c3C#N)CC2)[nH+]c2ccccc21 ZINC000450531562 560265389 /nfs/dbraw/zinc/26/53/89/560265389.db2.gz JCMKMRHJKJCWEI-UHFFFAOYSA-N 1 2 365.466 2.635 20 30 FEEDLO N#CC1(C[N@H+]2CCC[C@H](NS(=O)(=O)c3cccc(F)c3)C2)CCC1 ZINC000450559842 560266258 /nfs/dbraw/zinc/26/62/58/560266258.db2.gz QEQMVKDGVSKRQS-HNNXBMFYSA-N 1 2 351.447 2.262 20 30 FEEDLO N#CC1(C[N@@H+]2CCC[C@H](NS(=O)(=O)c3cccc(F)c3)C2)CCC1 ZINC000450559842 560266259 /nfs/dbraw/zinc/26/62/59/560266259.db2.gz QEQMVKDGVSKRQS-HNNXBMFYSA-N 1 2 351.447 2.262 20 30 FEEDLO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCCC[C@@H]1c1n[nH]c(=O)[nH]1 ZINC000450987606 560281385 /nfs/dbraw/zinc/28/13/85/560281385.db2.gz LXUNMQPUSDMUSB-JKSUJKDBSA-N 1 2 358.442 2.206 20 30 FEEDLO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCCC[C@@H]1c1n[nH]c(=O)[nH]1 ZINC000450987606 560281386 /nfs/dbraw/zinc/28/13/86/560281386.db2.gz LXUNMQPUSDMUSB-JKSUJKDBSA-N 1 2 358.442 2.206 20 30 FEEDLO N#Cc1ccc(NC(=O)C[N@@H+]2C[C@@H](c3ccccc3)[C@](F)(CO)C2)cc1 ZINC000451257580 560296347 /nfs/dbraw/zinc/29/63/47/560296347.db2.gz GLDGSNXNFWWRRV-AZUAARDMSA-N 1 2 353.397 2.297 20 30 FEEDLO N#Cc1ccc(NC(=O)C[N@H+]2C[C@@H](c3ccccc3)[C@](F)(CO)C2)cc1 ZINC000451257580 560296348 /nfs/dbraw/zinc/29/63/48/560296348.db2.gz GLDGSNXNFWWRRV-AZUAARDMSA-N 1 2 353.397 2.297 20 30 FEEDLO COc1ccc(C[N@@H+]2CCN(C(=O)c3cscn3)[C@@H](C)C2)cc1C#N ZINC000453576446 560389355 /nfs/dbraw/zinc/38/93/55/560389355.db2.gz PQAQWGZIIXTDDD-ZDUSSCGKSA-N 1 2 356.451 2.370 20 30 FEEDLO COc1ccc(C[N@H+]2CCN(C(=O)c3cscn3)[C@@H](C)C2)cc1C#N ZINC000453576446 560389356 /nfs/dbraw/zinc/38/93/56/560389356.db2.gz PQAQWGZIIXTDDD-ZDUSSCGKSA-N 1 2 356.451 2.370 20 30 FEEDLO CC[C@@H](C)[C@@H](CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)OC ZINC000455216936 560474355 /nfs/dbraw/zinc/47/43/55/560474355.db2.gz NUBAPKJVRGDSQK-VQIMIIECSA-N 1 2 358.486 2.447 20 30 FEEDLO C=CCC[C@H](NC(=O)c1cccc(C[NH+]2CCOCC2)c1)C(=O)OCC ZINC000456628313 560526355 /nfs/dbraw/zinc/52/63/55/560526355.db2.gz OCLZXLQPGUNBIO-SFHVURJKSA-N 1 2 360.454 2.147 20 30 FEEDLO C=CCC[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(=O)OCC ZINC000456636145 560526664 /nfs/dbraw/zinc/52/66/64/560526664.db2.gz XRLSDUDRWZWOFX-CQSZACIVSA-N 1 2 372.381 2.408 20 30 FEEDLO CC(C)(C#N)C(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000456991786 560542773 /nfs/dbraw/zinc/54/27/73/560542773.db2.gz WPPURDNLDNJTOM-UHFFFAOYSA-N 1 2 353.220 2.169 20 30 FEEDLO Cc1cc(C(=O)NCc2ccccc2C[NH+]2CCOCC2)ncc1C#N ZINC000457411876 560565673 /nfs/dbraw/zinc/56/56/73/560565673.db2.gz YETLUBOOWRBSFO-UHFFFAOYSA-N 1 2 350.422 2.024 20 30 FEEDLO COC1CCC(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000459278952 560677456 /nfs/dbraw/zinc/67/74/56/560677456.db2.gz LCLDBSSPYQIKHV-UHFFFAOYSA-N 1 2 356.470 2.343 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cccc(O)c1Br ZINC000459283700 560677475 /nfs/dbraw/zinc/67/74/75/560677475.db2.gz RMQUJBIZOMDQIQ-UHFFFAOYSA-N 1 2 368.275 2.203 20 30 FEEDLO C[N@@H+](Cc1c(C#N)cccc1[N+](=O)[O-])C[C@H](O)COCc1ccccc1 ZINC000459347261 560681537 /nfs/dbraw/zinc/68/15/37/560681537.db2.gz QCKVMCCYKRVYPU-KRWDZBQOSA-N 1 2 355.394 2.476 20 30 FEEDLO C[N@H+](Cc1c(C#N)cccc1[N+](=O)[O-])C[C@H](O)COCc1ccccc1 ZINC000459347261 560681539 /nfs/dbraw/zinc/68/15/39/560681539.db2.gz QCKVMCCYKRVYPU-KRWDZBQOSA-N 1 2 355.394 2.476 20 30 FEEDLO N#Cc1c(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)cn2ccccc12 ZINC000459500408 560690313 /nfs/dbraw/zinc/69/03/13/560690313.db2.gz XVUCQESRKRXZJC-UHFFFAOYSA-N 1 2 362.393 2.436 20 30 FEEDLO C[C@H]1C[N@H+](CCOc2ccccc2C#N)CCN1C(=O)c1cscn1 ZINC000459511713 560690919 /nfs/dbraw/zinc/69/09/19/560690919.db2.gz JELGCYWTVDLQLF-AWEZNQCLSA-N 1 2 356.451 2.240 20 30 FEEDLO C[C@H]1C[N@@H+](CCOc2ccccc2C#N)CCN1C(=O)c1cscn1 ZINC000459511713 560690920 /nfs/dbraw/zinc/69/09/20/560690920.db2.gz JELGCYWTVDLQLF-AWEZNQCLSA-N 1 2 356.451 2.240 20 30 FEEDLO N#Cc1cccc([N+](=O)[O-])c1C[NH2+]C1(C(N)=O)C2CC3CC(C2)CC1C3 ZINC000459781488 560708047 /nfs/dbraw/zinc/70/80/47/560708047.db2.gz SQLPZHGKZLAZDG-UHFFFAOYSA-N 1 2 354.410 2.236 20 30 FEEDLO COc1cc(CNC(=O)c2ccccc2C[NH+]2CCOCC2)ccc1C#N ZINC000460600596 560746915 /nfs/dbraw/zinc/74/69/15/560746915.db2.gz RKZKWQGYBBSFBM-UHFFFAOYSA-N 1 2 365.433 2.329 20 30 FEEDLO COc1cc(C[NH+]2CCN(C(=O)N[C@H]3CCC[C@@H]3C#N)CC2)cc(OC)c1 ZINC000461960952 560789904 /nfs/dbraw/zinc/78/99/04/560789904.db2.gz WXKURPBJRFWWPW-APWZRJJASA-N 1 2 372.469 2.223 20 30 FEEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCCN(Cc2ccc(OC)cc2)C(=O)C1 ZINC000466890095 560898655 /nfs/dbraw/zinc/89/86/55/560898655.db2.gz HGBPVVFNNMUVET-UHFFFAOYSA-N 1 2 373.497 2.154 20 30 FEEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCCN(Cc2ccc(OC)cc2)C(=O)C1 ZINC000466890095 560898656 /nfs/dbraw/zinc/89/86/56/560898656.db2.gz HGBPVVFNNMUVET-UHFFFAOYSA-N 1 2 373.497 2.154 20 30 FEEDLO CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000469281719 560951686 /nfs/dbraw/zinc/95/16/86/560951686.db2.gz RBOOCAKNJGKETD-BEFAXECRSA-N 1 2 359.426 2.323 20 30 FEEDLO C[C@@H](C(=O)NC1(C#N)CCC1)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000469713982 560962324 /nfs/dbraw/zinc/96/23/24/560962324.db2.gz ZJSMCRVVFWUFFK-HNNXBMFYSA-N 1 2 360.889 2.409 20 30 FEEDLO C[C@H](C(=O)NC1(C#N)CCC1)N1CC[NH+]([C@H](C)c2cccc(F)c2)CC1 ZINC000469721109 560962705 /nfs/dbraw/zinc/96/27/05/560962705.db2.gz RZMIDPJIOGIMPY-HZPDHXFCSA-N 1 2 358.461 2.455 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCSC[C@@H]2CCO)c1 ZINC000470364470 560979674 /nfs/dbraw/zinc/97/96/74/560979674.db2.gz LQYHTNYSVGJHFD-KRWDZBQOSA-N 1 2 361.511 2.350 20 30 FEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCSC[C@@H]2CCO)c1 ZINC000470364470 560979675 /nfs/dbraw/zinc/97/96/75/560979675.db2.gz LQYHTNYSVGJHFD-KRWDZBQOSA-N 1 2 361.511 2.350 20 30 FEEDLO CC[C@@H](NC(=O)CCc1c(C)nc2c(C#N)cnn2c1C)c1[nH]cc[nH+]1 ZINC000470700892 560987782 /nfs/dbraw/zinc/98/77/82/560987782.db2.gz XZUXFJRUGHTSAF-OAHLLOKOSA-N 1 2 351.414 2.141 20 30 FEEDLO Cn1cc(C[NH+]2CCN(C(=O)C[C@H](CC#N)c3ccccc3)CC2)cn1 ZINC000475655030 561101486 /nfs/dbraw/zinc/10/14/86/561101486.db2.gz XARQWODRIFDQSM-IBGZPJMESA-N 1 2 351.454 2.152 20 30 FEEDLO Cn1ncc(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1C#N ZINC000476458268 561119966 /nfs/dbraw/zinc/11/99/66/561119966.db2.gz LSFXKKJOHFXVPU-HOCLYGCPSA-N 1 2 361.808 2.259 20 30 FEEDLO Cn1ncc(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1C#N ZINC000476458268 561119967 /nfs/dbraw/zinc/11/99/67/561119967.db2.gz LSFXKKJOHFXVPU-HOCLYGCPSA-N 1 2 361.808 2.259 20 30 FEEDLO COCc1ccc(NC(=O)N2CC[NH+](Cc3cccnc3)CC2)cc1C#N ZINC000529211191 562364992 /nfs/dbraw/zinc/36/49/92/562364992.db2.gz MYRMTDPKGCDKDL-UHFFFAOYSA-N 1 2 365.437 2.449 20 30 FEEDLO COCc1ccc(NC(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)cc1C#N ZINC000529213266 562365105 /nfs/dbraw/zinc/36/51/05/562365105.db2.gz PTEUPRTZAJROMA-UHFFFAOYSA-N 1 2 366.425 2.157 20 30 FEEDLO Cc1nn(C)c(N2CC[NH+](Cc3cc(-c4ccccc4)n[nH]3)CC2)c1C#N ZINC000530460227 562412137 /nfs/dbraw/zinc/41/21/37/562412137.db2.gz XGJYABYTDZYKGP-UHFFFAOYSA-N 1 2 361.453 2.313 20 30 FEEDLO CC1(C)Cc2cccc(NC(=O)N(CCC#N)CC[NH+]3CCOCC3)c2O1 ZINC000530555379 562415640 /nfs/dbraw/zinc/41/56/40/562415640.db2.gz DNULYMYFUVUKSD-UHFFFAOYSA-N 1 2 372.469 2.480 20 30 FEEDLO C[C@@H](O)C[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)Cc1ccccc1 ZINC000530665758 562419905 /nfs/dbraw/zinc/41/99/05/562419905.db2.gz NKVVROFLABBBJU-MRXNPFEDSA-N 1 2 358.463 2.215 20 30 FEEDLO C[C@@H](O)C[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)Cc1ccccc1 ZINC000530665758 562419906 /nfs/dbraw/zinc/41/99/06/562419906.db2.gz NKVVROFLABBBJU-MRXNPFEDSA-N 1 2 358.463 2.215 20 30 FEEDLO C[C@@H]1CN(c2ccc(CNC(=O)Cc3cccc(C#N)c3)c[nH+]2)C[C@H](C)O1 ZINC000530908487 562428210 /nfs/dbraw/zinc/42/82/10/562428210.db2.gz VRNWADHCYBYXHV-IYBDPMFKSA-N 1 2 364.449 2.426 20 30 FEEDLO N#Cc1ccc(CNC(=O)C[N@@H+]2CCc3c(cnn3-c3ccccc3)C2)cc1 ZINC000530972162 562430369 /nfs/dbraw/zinc/43/03/69/562430369.db2.gz NAZHOHKQBNPUMZ-UHFFFAOYSA-N 1 2 371.444 2.418 20 30 FEEDLO N#Cc1ccc(CNC(=O)C[N@H+]2CCc3c(cnn3-c3ccccc3)C2)cc1 ZINC000530972162 562430370 /nfs/dbraw/zinc/43/03/70/562430370.db2.gz NAZHOHKQBNPUMZ-UHFFFAOYSA-N 1 2 371.444 2.418 20 30 FEEDLO CC(C)Cn1cc[nH+]c1CNS(=O)(=O)Cc1cc(C#N)ccc1F ZINC000537169500 562586964 /nfs/dbraw/zinc/58/69/64/562586964.db2.gz JAXKWNYFJXSVTM-UHFFFAOYSA-N 1 2 350.419 2.169 20 30 FEEDLO C=C[C@@H](CC(=O)N[C@H]1CCCN(Cc2[nH+]ccn2C)C1=O)c1ccccc1 ZINC000541228390 562606413 /nfs/dbraw/zinc/60/64/13/562606413.db2.gz IHXFULDPGXEQGA-WMZOPIPTSA-N 1 2 366.465 2.387 20 30 FEEDLO C=C[C@H](CC(=O)N[C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O)c1ccccc1 ZINC000541228389 562606553 /nfs/dbraw/zinc/60/65/53/562606553.db2.gz IHXFULDPGXEQGA-SJLPKXTDSA-N 1 2 366.465 2.387 20 30 FEEDLO COc1cc2c(cc1OC)C[N@H+](CC(=O)N(C)[C@@H]1CCC[C@@H]1C#N)CC2 ZINC000601814905 567846749 /nfs/dbraw/zinc/84/67/49/567846749.db2.gz PXEJEZVJQVDUDA-NVXWUHKLSA-N 1 2 357.454 2.213 20 30 FEEDLO COc1cc2c(cc1OC)C[N@@H+](CC(=O)N(C)[C@@H]1CCC[C@@H]1C#N)CC2 ZINC000601814905 567846751 /nfs/dbraw/zinc/84/67/51/567846751.db2.gz PXEJEZVJQVDUDA-NVXWUHKLSA-N 1 2 357.454 2.213 20 30 FEEDLO N#CCCCCNc1nc(NCCCCC#N)c(Br)c[nH+]1 ZINC000601976664 567894164 /nfs/dbraw/zinc/89/41/64/567894164.db2.gz BDBWLDRRFREABK-UHFFFAOYSA-N 1 2 351.252 2.294 20 30 FEEDLO CC(C)[N@H+](CCC#N)Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000602449497 567981449 /nfs/dbraw/zinc/98/14/49/567981449.db2.gz RUSWAOSRSFBCQN-UHFFFAOYSA-N 1 2 360.277 2.221 20 30 FEEDLO CC(C)[N@@H+](CCC#N)Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000602449497 567981450 /nfs/dbraw/zinc/98/14/50/567981450.db2.gz RUSWAOSRSFBCQN-UHFFFAOYSA-N 1 2 360.277 2.221 20 30 FEEDLO COC(=O)[C@@H](Cc1cccc(OC)c1)[NH2+]CCCC1(C#N)CCOCC1 ZINC000602938552 568021148 /nfs/dbraw/zinc/02/11/48/568021148.db2.gz AYFCDCSQDNEZOY-GOSISDBHSA-N 1 2 360.454 2.469 20 30 FEEDLO CC(=O)Nc1ccc(S(=O)(=O)CCC[N@@H+](C)[C@@H]2CCC[C@@H]2C#N)cc1 ZINC000602977334 568036268 /nfs/dbraw/zinc/03/62/68/568036268.db2.gz ACGZOPQVUVQXOI-CRAIPNDOSA-N 1 2 363.483 2.433 20 30 FEEDLO CC(=O)Nc1ccc(S(=O)(=O)CCC[N@H+](C)[C@@H]2CCC[C@@H]2C#N)cc1 ZINC000602977334 568036270 /nfs/dbraw/zinc/03/62/70/568036270.db2.gz ACGZOPQVUVQXOI-CRAIPNDOSA-N 1 2 363.483 2.433 20 30 FEEDLO C=CCOCCn1cc(C[NH+]2CCC(C(=O)OC(C)(C)C)CC2)nn1 ZINC000603217331 568076793 /nfs/dbraw/zinc/07/67/93/568076793.db2.gz DKHFBHPNBGYVIJ-UHFFFAOYSA-N 1 2 350.463 2.034 20 30 FEEDLO COC(=O)C[N@H+](Cc1ccc(C#N)cc1OC(F)F)C1CCOCC1 ZINC000568828234 568233891 /nfs/dbraw/zinc/23/38/91/568233891.db2.gz JRVPWTBDIIEOAY-UHFFFAOYSA-N 1 2 354.353 2.314 20 30 FEEDLO COC(=O)C[N@@H+](Cc1ccc(C#N)cc1OC(F)F)C1CCOCC1 ZINC000568828234 568233892 /nfs/dbraw/zinc/23/38/92/568233892.db2.gz JRVPWTBDIIEOAY-UHFFFAOYSA-N 1 2 354.353 2.314 20 30 FEEDLO CC[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)[C@H]1CCN(c2ccccc2)C1=O ZINC000609488877 568466435 /nfs/dbraw/zinc/46/64/35/568466435.db2.gz CHGQQZWWKLZEIW-PXNSSMCTSA-N 1 2 356.470 2.168 20 30 FEEDLO CC[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)[C@H]1CCN(c2ccccc2)C1=O ZINC000609488877 568466436 /nfs/dbraw/zinc/46/64/36/568466436.db2.gz CHGQQZWWKLZEIW-PXNSSMCTSA-N 1 2 356.470 2.168 20 30 FEEDLO Cc1c(C(=O)C=Cc2c[nH+]c3ccccn23)c(-c2nn[nH]n2)c2n1CCC2 ZINC000737204261 598936916 /nfs/dbraw/zinc/93/69/16/598936916.db2.gz YOUUQSVDTJJQPL-FPLPWBNLSA-N 1 2 359.393 2.467 20 30 FEEDLO CC[N@@H+](Cc1c(-c2nn[nH]n2)c(C)nn1-c1ccccc1)C[C@@H](C)C#N ZINC000825428484 608311859 /nfs/dbraw/zinc/31/18/59/608311859.db2.gz OSFDZBAYLADWNJ-ZDUSSCGKSA-N 1 2 350.430 2.342 20 30 FEEDLO CC[N@H+](Cc1c(-c2nn[nH]n2)c(C)nn1-c1ccccc1)C[C@@H](C)C#N ZINC000825428484 608311860 /nfs/dbraw/zinc/31/18/60/608311860.db2.gz OSFDZBAYLADWNJ-ZDUSSCGKSA-N 1 2 350.430 2.342 20 30 FEEDLO C=CC[N@@H+](Cc1c(C)nn(C)c1N(C)C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000823914156 608631370 /nfs/dbraw/zinc/63/13/70/608631370.db2.gz BSIYMGBYUQCKSX-UHFFFAOYSA-N 1 2 366.473 2.163 20 30 FEEDLO C=CC[N@H+](Cc1c(C)nn(C)c1N(C)C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000823914156 608631372 /nfs/dbraw/zinc/63/13/72/608631372.db2.gz BSIYMGBYUQCKSX-UHFFFAOYSA-N 1 2 366.473 2.163 20 30 FEEDLO C=CCn1c(=S)n(CN2CCn3c[nH+]cc3C2)nc1-c1ccncc1 ZINC000811787179 674627538 /nfs/dbraw/zinc/62/75/38/674627538.db2.gz HKRXZYYRHNPMAC-UHFFFAOYSA-N 1 2 353.455 2.332 20 30 FEEDLO N#CC1(CS(=O)(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)CCC1 ZINC000564349966 674999712 /nfs/dbraw/zinc/99/97/12/674999712.db2.gz PYMMQZLVUCZIND-HNNXBMFYSA-N 1 2 362.499 2.422 20 30 FEEDLO CC[C@H](C(=O)NCc1cc(F)c(C#N)c(F)c1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000565201594 675102297 /nfs/dbraw/zinc/10/22/97/675102297.db2.gz NRMRJBHTHCPXKE-SUMWQHHRSA-N 1 2 351.397 2.342 20 30 FEEDLO CC[C@H](C(=O)NCc1cc(F)c(C#N)c(F)c1)[N@H+]1CCO[C@@H](CC)C1 ZINC000565201594 675102298 /nfs/dbraw/zinc/10/22/98/675102298.db2.gz NRMRJBHTHCPXKE-SUMWQHHRSA-N 1 2 351.397 2.342 20 30 FEEDLO C#CC[NH+]1CCN(Cn2nc(-c3ccc(Br)cc3)nc2C)CC1 ZINC000111163222 670854282 /nfs/dbraw/zinc/85/42/82/670854282.db2.gz TUVQMVPGIJLWJX-UHFFFAOYSA-N 1 2 374.286 2.224 20 30 FEEDLO C[C@H](CNS(=O)(=O)CCC(C)(C)C#N)[N@@H+]1CCc2sccc2C1 ZINC000572168253 670969396 /nfs/dbraw/zinc/96/93/96/670969396.db2.gz NRRFHJWNMGWJFC-CYBMUJFWSA-N 1 2 355.529 2.354 20 30 FEEDLO C[C@H](CNS(=O)(=O)CCC(C)(C)C#N)[N@H+]1CCc2sccc2C1 ZINC000572168253 670969400 /nfs/dbraw/zinc/96/94/00/670969400.db2.gz NRRFHJWNMGWJFC-CYBMUJFWSA-N 1 2 355.529 2.354 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCSC3(CCC3)CC2)nc1 ZINC000577468841 671597708 /nfs/dbraw/zinc/59/77/08/671597708.db2.gz XZEMLFWARSIJDG-UHFFFAOYSA-N 1 2 351.497 2.089 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCSC3(CCC3)CC2)nc1 ZINC000577468841 671597709 /nfs/dbraw/zinc/59/77/09/671597709.db2.gz XZEMLFWARSIJDG-UHFFFAOYSA-N 1 2 351.497 2.089 20 30 FEEDLO N#CCCC1CC[NH+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000579953238 671772949 /nfs/dbraw/zinc/77/29/49/671772949.db2.gz LSDJHGVRYFZRDH-UHFFFAOYSA-N 1 2 351.428 2.384 20 30 FEEDLO C#CC[NH+]1CCN(Cn2nc(-c3ccc(F)cc3)n(CC)c2=S)CC1 ZINC000151746402 672168766 /nfs/dbraw/zinc/16/87/66/672168766.db2.gz FGHSMYNFYBPXQE-UHFFFAOYSA-N 1 2 359.474 2.448 20 30 FEEDLO CC(C)(C)OCCC[NH+]1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000610681066 675989023 /nfs/dbraw/zinc/98/90/23/675989023.db2.gz UATDFSQCMNBQIW-UHFFFAOYSA-N 1 2 365.499 2.070 20 30 FEEDLO Cc1cc(C(N)=[NH+]OCC(=O)NCc2cc(F)cc(F)c2)ccc1F ZINC000174125037 672358307 /nfs/dbraw/zinc/35/83/07/672358307.db2.gz VLOLNLDSTJTLNI-UHFFFAOYSA-N 1 2 351.328 2.366 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c(Cl)c1 ZINC000611538988 676043056 /nfs/dbraw/zinc/04/30/56/676043056.db2.gz GUUSHNDYCCEZKL-CYBMUJFWSA-N 1 2 350.831 2.434 20 30 FEEDLO C[C@@H](NC(=O)C#Cc1ccc(C(F)(F)F)cc1)[C@@H](C)[NH+]1CCOCC1 ZINC000191293642 672663078 /nfs/dbraw/zinc/66/30/78/672663078.db2.gz RCFKPJMMNUOCEO-ZIAGYGMSSA-N 1 2 354.372 2.282 20 30 FEEDLO CNC(=O)[C@H]1C[N@H+](CC(=O)Nc2nc(C)cs2)C[C@@H]1c1cnn(C)c1 ZINC000329133650 673072949 /nfs/dbraw/zinc/07/29/49/673072949.db2.gz PSFQPSZXOMXURU-OLZOCXBDSA-N 1 2 362.459 2.075 20 30 FEEDLO CNC(=O)[C@H]1C[N@@H+](CC(=O)Nc2nc(C)cs2)C[C@@H]1c1cnn(C)c1 ZINC000329133650 673072954 /nfs/dbraw/zinc/07/29/54/673072954.db2.gz PSFQPSZXOMXURU-OLZOCXBDSA-N 1 2 362.459 2.075 20 30 FEEDLO CCOc1cc(C[NH2+][C@@H]2CCC[C@@H]2C#N)nc2nc(C(F)(F)F)nn21 ZINC000329594650 673079530 /nfs/dbraw/zinc/07/95/30/673079530.db2.gz ORQGQLGWMNPGDY-MWLCHTKSSA-N 1 2 354.336 2.324 20 30 FEEDLO S=C(NCCc1ccccn1)NN=C1CCN(c2cccc[nH+]2)CC1 ZINC000726423874 673121213 /nfs/dbraw/zinc/12/12/13/673121213.db2.gz QIFKDBXVOHKDJA-UHFFFAOYSA-N 1 2 354.483 2.140 20 30 FEEDLO C=CCOCC(=O)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000729312981 673232257 /nfs/dbraw/zinc/23/22/57/673232257.db2.gz BBCQSYFJAXXQEE-UHFFFAOYSA-N 1 2 358.360 2.432 20 30 FEEDLO N#Cc1sccc1N1CC[NH+](C[C@H](O)COc2ccccc2F)CC1 ZINC000595633081 673276774 /nfs/dbraw/zinc/27/67/74/673276774.db2.gz LHTDDJCBAHHIAV-AWEZNQCLSA-N 1 2 361.442 2.321 20 30 FEEDLO C#CCC[NH+]1CCN(C(=O)c2ccsc2NC(=O)c2ccco2)CC1 ZINC000731473981 673331678 /nfs/dbraw/zinc/33/16/78/673331678.db2.gz FNSLPMBDRPPHMU-UHFFFAOYSA-N 1 2 357.435 2.375 20 30 FEEDLO CNc1nc(N2CCN(c3ccsc3C#N)CC2)[nH+]c2ccccc21 ZINC000596353714 673379201 /nfs/dbraw/zinc/37/92/01/673379201.db2.gz ZOFQVVWZBAGIFS-UHFFFAOYSA-N 1 2 350.451 2.931 20 30 FEEDLO Cc1onc(CC(=O)N(CCn2cc[nH+]c2)C2CCSCC2)c1C#N ZINC000597639542 673495387 /nfs/dbraw/zinc/49/53/87/673495387.db2.gz BWVINDXWXGZJKQ-UHFFFAOYSA-N 1 2 359.455 2.018 20 30 FEEDLO Cc1cc(C#N)cnc1C(=O)N(CCn1cc[nH+]c1)C1CCSCC1 ZINC000597641279 673495392 /nfs/dbraw/zinc/49/53/92/673495392.db2.gz PYSXPQQHRHJYHT-UHFFFAOYSA-N 1 2 355.467 2.496 20 30 FEEDLO C[C@@H]1C[NH+](CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)C[C@@H](C)S1 ZINC000743375655 673757324 /nfs/dbraw/zinc/75/73/24/673757324.db2.gz IJPRMCIPLHANSR-VFVRVIDISA-N 1 2 358.467 2.109 20 30 FEEDLO CCC(CC)[C@H](CNS(=O)(=O)CC1(C#N)CCCC1)[NH+]1CCOCC1 ZINC000545384435 673764904 /nfs/dbraw/zinc/76/49/04/673764904.db2.gz BCNFASOYWZPRLG-KRWDZBQOSA-N 1 2 371.547 2.127 20 30 FEEDLO C[N@@H+]1CCc2c(cccc2S(=O)(=O)NCc2ccc(C#N)cc2F)C1 ZINC000603281752 673921921 /nfs/dbraw/zinc/92/19/21/673921921.db2.gz NZKPAZAOMBNPGZ-UHFFFAOYSA-N 1 2 359.426 2.164 20 30 FEEDLO C[N@H+]1CCc2c(cccc2S(=O)(=O)NCc2ccc(C#N)cc2F)C1 ZINC000603281752 673921925 /nfs/dbraw/zinc/92/19/25/673921925.db2.gz NZKPAZAOMBNPGZ-UHFFFAOYSA-N 1 2 359.426 2.164 20 30 FEEDLO COc1c(C)c[nH+]c(CNS(=O)(=O)Cc2ccc(CC#N)cc2)c1C ZINC000827076339 675727323 /nfs/dbraw/zinc/72/73/23/675727323.db2.gz OJKNBVXAVUDIGE-UHFFFAOYSA-N 1 2 359.451 2.393 20 30 FEEDLO CC1(C)COCC[N@@H+]1CCNC(=O)NCc1ccc(C#N)c(Cl)c1 ZINC000619758844 676393662 /nfs/dbraw/zinc/39/36/62/676393662.db2.gz PQTMKEFEBVSIOJ-UHFFFAOYSA-N 1 2 350.850 2.122 20 30 FEEDLO CC1(C)COCC[N@H+]1CCNC(=O)NCc1ccc(C#N)c(Cl)c1 ZINC000619758844 676393663 /nfs/dbraw/zinc/39/36/63/676393663.db2.gz PQTMKEFEBVSIOJ-UHFFFAOYSA-N 1 2 350.850 2.122 20 30 FEEDLO C=CC[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N(CCC)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000661379371 678472628 /nfs/dbraw/zinc/47/26/28/678472628.db2.gz XOQAQAYGUPEYQB-BRWVUGGUSA-N 1 2 356.532 2.089 20 30 FEEDLO C=CC[C@@H]1CCC[N@H+]([C@H](C)C(=O)N(CCC)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000661379371 678472631 /nfs/dbraw/zinc/47/26/31/678472631.db2.gz XOQAQAYGUPEYQB-BRWVUGGUSA-N 1 2 356.532 2.089 20 30 FEEDLO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000662079834 678574600 /nfs/dbraw/zinc/57/46/00/678574600.db2.gz NRBYWEVEGFFLQA-FGTMMUONSA-N 1 2 366.527 2.128 20 30 FEEDLO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000662079834 678574605 /nfs/dbraw/zinc/57/46/05/678574605.db2.gz NRBYWEVEGFFLQA-FGTMMUONSA-N 1 2 366.527 2.128 20 30 FEEDLO C=CC[C@@H]1CCCC[C@H]1NC(=O)N1CC[NH+](CCOCCOC)CC1 ZINC000665384915 678956837 /nfs/dbraw/zinc/95/68/37/678956837.db2.gz RGTXAPPAHCBTFY-QZTJIDSGSA-N 1 2 353.507 2.112 20 30 FEEDLO COc1ccc(Br)c([C@H](CO)[N@H+](C)CCO[C@@H](C)C#N)c1 ZINC000831248606 679954764 /nfs/dbraw/zinc/95/47/64/679954764.db2.gz KACNRNJVOQOYNJ-NHYWBVRUSA-N 1 2 357.248 2.352 20 30 FEEDLO COc1ccc(Br)c([C@H](CO)[N@@H+](C)CCO[C@@H](C)C#N)c1 ZINC000831248606 679954771 /nfs/dbraw/zinc/95/47/71/679954771.db2.gz KACNRNJVOQOYNJ-NHYWBVRUSA-N 1 2 357.248 2.352 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1Cc1csnc1OC ZINC001028194942 680371884 /nfs/dbraw/zinc/37/18/84/680371884.db2.gz GXKFJCMMDRNHNX-PMPSAXMXSA-N 1 2 365.499 2.214 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1Cc1csnc1OC ZINC001028194942 680371887 /nfs/dbraw/zinc/37/18/87/680371887.db2.gz GXKFJCMMDRNHNX-PMPSAXMXSA-N 1 2 365.499 2.214 20 30 FEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCO[C@H]2c2nccn2C)C1 ZINC001033166042 680419532 /nfs/dbraw/zinc/41/95/32/680419532.db2.gz RKVSPPLUMQPYKB-ARFHVFGLSA-N 1 2 366.893 2.173 20 30 FEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCO[C@H]2c2nccn2C)C1 ZINC001033166042 680419536 /nfs/dbraw/zinc/41/95/36/680419536.db2.gz RKVSPPLUMQPYKB-ARFHVFGLSA-N 1 2 366.893 2.173 20 30 FEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1CCn1cc(Cl)cn1 ZINC001038799672 680461203 /nfs/dbraw/zinc/46/12/03/680461203.db2.gz MEVGHYUCZMKFBV-ULQDDVLXSA-N 1 2 366.893 2.098 20 30 FEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1CCn1cc(Cl)cn1 ZINC001038799672 680461208 /nfs/dbraw/zinc/46/12/08/680461208.db2.gz MEVGHYUCZMKFBV-ULQDDVLXSA-N 1 2 366.893 2.098 20 30 FEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1CCn1cc(Cl)cn1 ZINC001038799668 680461343 /nfs/dbraw/zinc/46/13/43/680461343.db2.gz MEVGHYUCZMKFBV-IKGGRYGDSA-N 1 2 366.893 2.098 20 30 FEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1CCn1cc(Cl)cn1 ZINC001038799668 680461348 /nfs/dbraw/zinc/46/13/48/680461348.db2.gz MEVGHYUCZMKFBV-IKGGRYGDSA-N 1 2 366.893 2.098 20 30 FEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCO[C@H]2c2nccn2C)C1 ZINC001007525427 680647013 /nfs/dbraw/zinc/64/70/13/680647013.db2.gz QRKNCZHSGGCXJN-BZUAXINKSA-N 1 2 366.893 2.221 20 30 FEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCO[C@H]2c2nccn2C)C1 ZINC001007525427 680647014 /nfs/dbraw/zinc/64/70/14/680647014.db2.gz QRKNCZHSGGCXJN-BZUAXINKSA-N 1 2 366.893 2.221 20 30 FEEDLO CCn1c[nH+]cc1CNc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 ZINC000842211814 680932933 /nfs/dbraw/zinc/93/29/33/680932933.db2.gz XSZFKUHPJUYPHK-JZJYNLBNSA-N 1 2 361.471 2.328 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2Cc1cnns1 ZINC001049488620 681033620 /nfs/dbraw/zinc/03/36/20/681033620.db2.gz YWCYOEUMWBLDEP-QZWWFDLISA-N 1 2 362.499 2.085 20 30 FEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2Cc1cnns1 ZINC001049488620 681033622 /nfs/dbraw/zinc/03/36/22/681033622.db2.gz YWCYOEUMWBLDEP-QZWWFDLISA-N 1 2 362.499 2.085 20 30 FEEDLO CC(C)c1nnc(NC(=O)C[N@H+](C)C[C@H](O)c2cccc(C#N)c2)s1 ZINC000844365112 681054330 /nfs/dbraw/zinc/05/43/30/681054330.db2.gz AVHANAUNUVRIFD-AWEZNQCLSA-N 1 2 359.455 2.137 20 30 FEEDLO CC(C)c1nnc(NC(=O)C[N@@H+](C)C[C@H](O)c2cccc(C#N)c2)s1 ZINC000844365112 681054332 /nfs/dbraw/zinc/05/43/32/681054332.db2.gz AVHANAUNUVRIFD-AWEZNQCLSA-N 1 2 359.455 2.137 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1COCC[N@@H+]1CCCC1CCCC1 ZINC001051114180 681062691 /nfs/dbraw/zinc/06/26/91/681062691.db2.gz GLFMSHAKFFLRFS-OTWHNJEPSA-N 1 2 350.503 2.365 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1COCC[N@H+]1CCCC1CCCC1 ZINC001051114180 681062693 /nfs/dbraw/zinc/06/26/93/681062693.db2.gz GLFMSHAKFFLRFS-OTWHNJEPSA-N 1 2 350.503 2.365 20 30 FEEDLO CN(CCC#N)c1ccc(C=[NH+]Nc2ccccc2S(N)(=O)=O)cc1 ZINC000773120851 681126399 /nfs/dbraw/zinc/12/63/99/681126399.db2.gz MKJASWKNEAAHFT-UHFFFAOYSA-N 1 2 357.439 2.130 20 30 FEEDLO C=CCN(C(=O)C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C)C(C)C ZINC000775086171 681273965 /nfs/dbraw/zinc/27/39/65/681273965.db2.gz TWHXNXTYPUDQHM-MRXNPFEDSA-N 1 2 351.878 2.482 20 30 FEEDLO FC1(F)[C@@H]2C[NH+](CC3OCCO3)C[C@H]2C(F)(F)C(F)(F)C1(F)F ZINC000932949215 681334349 /nfs/dbraw/zinc/33/43/49/681334349.db2.gz OHOJOQDWEIQPLU-RNFRBKRXSA-N 1 2 355.225 2.462 20 30 FEEDLO N#Cc1ccc(Cl)cc1NC(=O)C[NH+]1CCC2(CC1)C[C@@H](O)CCO2 ZINC000933067184 681359018 /nfs/dbraw/zinc/35/90/18/681359018.db2.gz NHLCQMPYMFVIAZ-HNNXBMFYSA-N 1 2 363.845 2.156 20 30 FEEDLO Cn1cc([C@@H]2CSCCC[N@@H+]2CC(=O)NC2(C#N)CCCCC2)cn1 ZINC000933987313 681492809 /nfs/dbraw/zinc/49/28/09/681492809.db2.gz LLYBYCYTPONGHL-INIZCTEOSA-N 1 2 361.515 2.243 20 30 FEEDLO Cn1cc([C@@H]2CSCCC[N@H+]2CC(=O)NC2(C#N)CCCCC2)cn1 ZINC000933987313 681492811 /nfs/dbraw/zinc/49/28/11/681492811.db2.gz LLYBYCYTPONGHL-INIZCTEOSA-N 1 2 361.515 2.243 20 30 FEEDLO CS(=O)(=O)CC[NH+]1CCC(Nc2cccc(C(F)F)c2C#N)CC1 ZINC000848663565 681595405 /nfs/dbraw/zinc/59/54/05/681595405.db2.gz JRFCSAJZJIPOGI-UHFFFAOYSA-N 1 2 357.426 2.417 20 30 FEEDLO CC1CCN(C(=O)CO[NH+]=C(N)c2ccc(Br)cc2)CC1 ZINC000782948538 682097367 /nfs/dbraw/zinc/09/73/67/682097367.db2.gz KHDSHHUAXFXJJT-UHFFFAOYSA-N 1 2 354.248 2.345 20 30 FEEDLO CN(CC(F)(F)F)C(=O)CO[NH+]=C(N)c1ccc(Br)cc1 ZINC000782949250 682097993 /nfs/dbraw/zinc/09/79/93/682097993.db2.gz FCWLARKCDFYTGB-UHFFFAOYSA-N 1 2 368.153 2.107 20 30 FEEDLO O=S1(=O)NC(=NN=Cc2cc(-n3cc[nH+]c3)cs2)c2ccccc21 ZINC000783825224 682179747 /nfs/dbraw/zinc/17/97/47/682179747.db2.gz WRZOBDFXOGAGJU-UHFFFAOYSA-N 1 2 357.420 2.006 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCCCC[N@@H+]1Cc1cnns1 ZINC000969064401 682256160 /nfs/dbraw/zinc/25/61/60/682256160.db2.gz GJWRAPZLPSEKFN-PVAVHDDUSA-N 1 2 364.515 2.380 20 30 FEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCCCC[N@H+]1Cc1cnns1 ZINC000969064401 682256163 /nfs/dbraw/zinc/25/61/63/682256163.db2.gz GJWRAPZLPSEKFN-PVAVHDDUSA-N 1 2 364.515 2.380 20 30 FEEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000852435091 682277597 /nfs/dbraw/zinc/27/75/97/682277597.db2.gz JNQQUNRSHMJXCE-FZMZJTMJSA-N 1 2 362.817 2.065 20 30 FEEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000852435091 682277599 /nfs/dbraw/zinc/27/75/99/682277599.db2.gz JNQQUNRSHMJXCE-FZMZJTMJSA-N 1 2 362.817 2.065 20 30 FEEDLO N#Cc1ccc(NC(=O)C[NH+]2CCC(N3CCOC3=O)CC2)cc1Cl ZINC000852722221 682325483 /nfs/dbraw/zinc/32/54/83/682325483.db2.gz SMUCCBNWMOUYAU-UHFFFAOYSA-N 1 2 362.817 2.067 20 30 FEEDLO C[N@H+](CC(=O)[C@H](C#N)C(=O)NCc1cccc(Cl)c1)[C@@H]1CCSC1 ZINC000786533169 682384247 /nfs/dbraw/zinc/38/42/47/682384247.db2.gz DWEOBMRZORXFLC-CABCVRRESA-N 1 2 365.886 2.102 20 30 FEEDLO C[N@@H+](CC(=O)[C@H](C#N)C(=O)NCc1cccc(Cl)c1)[C@@H]1CCSC1 ZINC000786533169 682384252 /nfs/dbraw/zinc/38/42/52/682384252.db2.gz DWEOBMRZORXFLC-CABCVRRESA-N 1 2 365.886 2.102 20 30 FEEDLO CN=c1scc(-c2cnnn2C)n1N=Cc1cc(-n2cc[nH+]c2)cs1 ZINC000794845685 682998993 /nfs/dbraw/zinc/99/89/93/682998993.db2.gz CYQQRFISMRLIEJ-UHFFFAOYSA-N 1 2 370.467 2.005 20 30 FEEDLO N#CCc1cccc(S(=O)(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000795081312 683015667 /nfs/dbraw/zinc/01/56/67/683015667.db2.gz QDBBSTYMTGYABO-UHFFFAOYSA-N 1 2 352.419 2.417 20 30 FEEDLO C[C@H](C[N@H+](C)CC(=O)Nc1sccc1C#N)NC(=O)OC(C)(C)C ZINC000860093923 683200935 /nfs/dbraw/zinc/20/09/35/683200935.db2.gz JPEMXPGUULQICX-LLVKDONJSA-N 1 2 352.460 2.403 20 30 FEEDLO C[C@H](C[N@@H+](C)CC(=O)Nc1sccc1C#N)NC(=O)OC(C)(C)C ZINC000860093923 683200938 /nfs/dbraw/zinc/20/09/38/683200938.db2.gz JPEMXPGUULQICX-LLVKDONJSA-N 1 2 352.460 2.403 20 30 FEEDLO Cn1c[nH+]cc1[C@@H]1CCCCN1S(=O)(=O)Cc1csc(C#N)c1 ZINC000919974321 683310823 /nfs/dbraw/zinc/31/08/23/683310823.db2.gz KTLWYXLOQDKGJG-AWEZNQCLSA-N 1 2 350.469 2.410 20 30 FEEDLO C=CC[C@@H](CC)NC(=O)N1CC[N@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000798495699 683358948 /nfs/dbraw/zinc/35/89/48/683358948.db2.gz IZODKSDLSURLKL-CABCVRRESA-N 1 2 354.495 2.191 20 30 FEEDLO C=CC[C@@H](CC)NC(=O)N1CC[N@@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000798495699 683358954 /nfs/dbraw/zinc/35/89/54/683358954.db2.gz IZODKSDLSURLKL-CABCVRRESA-N 1 2 354.495 2.191 20 30 FEEDLO CC(=[NH+]N[C@@H]1CCCS(=O)(=O)C1)c1cc(Cl)c(N)c(Cl)c1 ZINC000863135192 683680984 /nfs/dbraw/zinc/68/09/84/683680984.db2.gz YGZWGDWPMBLGHH-SNVBAGLBSA-N 1 2 350.271 2.466 20 30 FEEDLO CCn1c[nH+]cc1CNc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 ZINC000922373381 683709409 /nfs/dbraw/zinc/70/94/09/683709409.db2.gz IRCKPZJNLXMJMB-LVZFUZTISA-N 1 2 361.471 2.328 20 30 FEEDLO N#C[C@@H](NC(=O)/C=C\C[NH+]1CCOCC1)c1ccc(Br)cc1 ZINC000864768814 683888932 /nfs/dbraw/zinc/88/89/32/683888932.db2.gz LUHPLGJKJQTHLG-DJYNDVHFSA-N 1 2 364.243 2.018 20 30 FEEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH+]1CCC(F)CC1 ZINC000880243510 687021750 /nfs/dbraw/zinc/02/17/50/687021750.db2.gz KXMRPSUMHDISDO-UHFFFAOYSA-N 1 2 350.438 2.386 20 30 FEEDLO CC[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)[C@H](CO)c1ccccc1 ZINC000880462384 687051653 /nfs/dbraw/zinc/05/16/53/687051653.db2.gz SMVUOCVMQULHPB-LJQANCHMSA-N 1 2 358.463 2.387 20 30 FEEDLO CC[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)[C@H](CO)c1ccccc1 ZINC000880462384 687051656 /nfs/dbraw/zinc/05/16/56/687051656.db2.gz SMVUOCVMQULHPB-LJQANCHMSA-N 1 2 358.463 2.387 20 30 FEEDLO C#CCC1(O)CC[NH+]([C@@H]2CCN(c3ccc(Cl)cc3F)C2=O)CC1 ZINC000880482273 687052995 /nfs/dbraw/zinc/05/29/95/687052995.db2.gz CSDATWVEEAWACE-MRXNPFEDSA-N 1 2 350.821 2.435 20 30 FEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1ccc(C)cc1OCC(F)(F)F ZINC000884101038 687789607 /nfs/dbraw/zinc/78/96/07/687789607.db2.gz MXTCBVAGJYENPL-NSHDSACASA-N 1 2 360.332 2.321 20 30 FEEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)C2CCC(C(F)(F)F)CC2)C1 ZINC000885508359 688087675 /nfs/dbraw/zinc/08/76/75/688087675.db2.gz GNUTWIXKEGYGDC-ROKHWSDSSA-N 1 2 352.422 2.125 20 30 FEEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)C2CCC(C(F)(F)F)CC2)C1 ZINC000885508359 688087684 /nfs/dbraw/zinc/08/76/84/688087684.db2.gz GNUTWIXKEGYGDC-ROKHWSDSSA-N 1 2 352.422 2.125 20 30 FEEDLO C#CCNC(=O)C1CC[NH+](Cc2cc(Br)cc(F)c2O)CC1 ZINC000893974952 689441624 /nfs/dbraw/zinc/44/16/24/689441624.db2.gz YSESJWNZJFYKIK-UHFFFAOYSA-N 1 2 369.234 2.255 20 30 FEEDLO CC(C)(C)OC(=O)N[C@]1(CO)CCC[N@H+](Cc2csc(C#N)c2)C1 ZINC000896979056 689957950 /nfs/dbraw/zinc/95/79/50/689957950.db2.gz CGIBPDMHWNYMTK-QGZVFWFLSA-N 1 2 351.472 2.471 20 30 FEEDLO CC(C)(C)OC(=O)N[C@]1(CO)CCC[N@@H+](Cc2csc(C#N)c2)C1 ZINC000896979056 689957952 /nfs/dbraw/zinc/95/79/52/689957952.db2.gz CGIBPDMHWNYMTK-QGZVFWFLSA-N 1 2 351.472 2.471 20 30 FEEDLO N#Cc1ccc(-n2cc(C[NH+]3CCC(O)CC3)nn2)cc1C(F)(F)F ZINC000899718085 690412320 /nfs/dbraw/zinc/41/23/20/690412320.db2.gz GOQIDJDODJOEDJ-UHFFFAOYSA-N 1 2 351.332 2.114 20 30 FEEDLO C=CCOC(=O)[C@@H]([NH3+])Cc1nc(-c2ccc(C)c(Br)c2)no1 ZINC000904092073 691002131 /nfs/dbraw/zinc/00/21/31/691002131.db2.gz DCAUCOFAVKJHAM-LBPRGKRZSA-N 1 2 366.215 2.407 20 30 FEEDLO C[N@H+](CCC#N)C[C@H](O)COc1ccc2c(c1)oc(=O)cc2C(F)F ZINC000905983545 691205577 /nfs/dbraw/zinc/20/55/77/691205577.db2.gz XNNRMKGRDKLNSY-NSHDSACASA-N 1 2 352.337 2.316 20 30 FEEDLO C[N@@H+](CCC#N)C[C@H](O)COc1ccc2c(c1)oc(=O)cc2C(F)F ZINC000905983545 691205581 /nfs/dbraw/zinc/20/55/81/691205581.db2.gz XNNRMKGRDKLNSY-NSHDSACASA-N 1 2 352.337 2.316 20 30 FEEDLO N#Cc1ccc(NC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)c(Cl)c1 ZINC000527305386 829018269 /nfs/dbraw/zinc/01/82/69/829018269.db2.gz SOOJGZJJUGAENU-UHFFFAOYSA-N 1 2 374.832 2.384 20 30 FEEDLO C=CCOc1cccc(NC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)c1 ZINC000470350613 887179412 /nfs/dbraw/zinc/17/94/12/887179412.db2.gz AEMHBCXYFLQOAN-UHFFFAOYSA-N 1 2 371.441 2.424 20 30 FEEDLO Cn1ncc2c1nc[nH+]c2SCC(=O)N(CCC#N)c1ccccc1 ZINC000011676066 539532252 /nfs/dbraw/zinc/53/22/52/539532252.db2.gz KYAWZWCGFDASOI-UHFFFAOYSA-N 1 2 352.423 2.402 20 30 FEEDLO CN(C(=O)C[N@H+](C)C[C@@H]1COc2ccccc2O1)C1(C#N)CCCCC1 ZINC000014925736 539606576 /nfs/dbraw/zinc/60/65/76/539606576.db2.gz JRIXPFFPCSJWAI-MRXNPFEDSA-N 1 2 357.454 2.443 20 30 FEEDLO CN(C(=O)C[N@@H+](C)C[C@@H]1COc2ccccc2O1)C1(C#N)CCCCC1 ZINC000014925736 539606582 /nfs/dbraw/zinc/60/65/82/539606582.db2.gz JRIXPFFPCSJWAI-MRXNPFEDSA-N 1 2 357.454 2.443 20 30 FEEDLO Cn1cc[nH+]c1[C@@H](NS(=O)(=O)c1ccccc1C#N)c1ccccc1 ZINC000017521609 539642144 /nfs/dbraw/zinc/64/21/44/539642144.db2.gz UVXJXQGDCOVRBU-KRWDZBQOSA-N 1 2 352.419 2.360 20 30 FEEDLO C=CCNC(=O)C[NH+]1CCN(Cc2nc(-c3cccs3)oc2C)CC1 ZINC000022358216 539694089 /nfs/dbraw/zinc/69/40/89/539694089.db2.gz HWBTUVKUWDRDPM-UHFFFAOYSA-N 1 2 360.483 2.131 20 30 FEEDLO C=CCOc1ccc(C(=O)NCc2cc[nH+]c(N3CCOCC3)c2)cc1 ZINC000025291635 539754360 /nfs/dbraw/zinc/75/43/60/539754360.db2.gz IZDPMQKLOZTPQF-UHFFFAOYSA-N 1 2 353.422 2.413 20 30 FEEDLO CC(C)C[N@H+](CC(N)=O)CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000026125434 539777418 /nfs/dbraw/zinc/77/74/18/539777418.db2.gz RQXVYLJKJVKUSG-UHFFFAOYSA-N 1 2 362.499 2.270 20 30 FEEDLO CC(C)C[N@@H+](CC(N)=O)CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000026125434 539777419 /nfs/dbraw/zinc/77/74/19/539777419.db2.gz RQXVYLJKJVKUSG-UHFFFAOYSA-N 1 2 362.499 2.270 20 30 FEEDLO C[C@@H]1CCC[C@@H](NC(=O)C[NH+]2CCN(c3cc(C#N)ccn3)CC2)[C@@H]1C ZINC000029444028 539853396 /nfs/dbraw/zinc/85/33/96/539853396.db2.gz AMPVLWWZQSIYRG-JFIYKMOQSA-N 1 2 355.486 2.016 20 30 FEEDLO C[C@@H](C(=O)NC1CCC(C)CC1)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000029450719 539854352 /nfs/dbraw/zinc/85/43/52/539854352.db2.gz XGUGSRRDIGBMOA-PQUAAJSLSA-N 1 2 355.486 2.159 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@@H+]1CCCN(C(=O)c2ccccc2)CC1 ZINC000029707331 539862196 /nfs/dbraw/zinc/86/21/96/539862196.db2.gz ADCFCPYHLJSJCA-LAUBAEHRSA-N 1 2 370.497 2.277 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@H+]1CCCN(C(=O)c2ccccc2)CC1 ZINC000029707331 539862198 /nfs/dbraw/zinc/86/21/98/539862198.db2.gz ADCFCPYHLJSJCA-LAUBAEHRSA-N 1 2 370.497 2.277 20 30 FEEDLO N#Cc1ccc(OCC(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)cc1 ZINC000030699916 539890231 /nfs/dbraw/zinc/89/02/31/539890231.db2.gz PNUXRKVGMPEAOL-HXUWFJFHSA-N 1 2 365.433 2.127 20 30 FEEDLO N#CCC[C@@H](C#N)C[NH+]1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000030534026 539884448 /nfs/dbraw/zinc/88/44/48/539884448.db2.gz NGTLBTUYFGKFPB-AWEZNQCLSA-N 1 2 364.446 2.012 20 30 FEEDLO N#Cc1ccc(NC(=O)C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)cc1 ZINC000041519227 540024056 /nfs/dbraw/zinc/02/40/56/540024056.db2.gz KNJMPXLSEKIIED-UHFFFAOYSA-N 1 2 363.421 2.198 20 30 FEEDLO Cc1[nH]c2ccc(NC(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)cc2[nH+]1 ZINC000045056478 540147922 /nfs/dbraw/zinc/14/79/22/540147922.db2.gz FAEZRQUGFQZCIP-UHFFFAOYSA-N 1 2 368.418 2.297 20 30 FEEDLO O=C(NCC#Cc1ccccc1)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000045864000 540231976 /nfs/dbraw/zinc/23/19/76/540231976.db2.gz VCXQCAOBMDHOSP-OAQYLSRUSA-N 1 2 363.461 2.411 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000047744679 540327040 /nfs/dbraw/zinc/32/70/40/540327040.db2.gz VEFVDLSXDUAWFS-BEFAXECRSA-N 1 2 373.457 2.160 20 30 FEEDLO Cc1csc(N2CC[NH+]([C@H](C)C(=O)Nc3cccc(C#N)c3)CC2)n1 ZINC000048008392 540340249 /nfs/dbraw/zinc/34/02/49/540340249.db2.gz XPPJFFQFESNDAS-CQSZACIVSA-N 1 2 355.467 2.472 20 30 FEEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)C2(c3ccccc3OC)CC2)c1C#N ZINC000535505169 540478979 /nfs/dbraw/zinc/47/89/79/540478979.db2.gz NRNCWKRXRFSYMX-UHFFFAOYSA-N 1 2 353.426 2.112 20 30 FEEDLO C[C@H]1CCCC[C@@H]1N(C)C(=O)C[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000052508569 540469539 /nfs/dbraw/zinc/46/95/39/540469539.db2.gz NTMPYFHVUKLZSE-WMZOPIPTSA-N 1 2 355.486 2.112 20 30 FEEDLO N#CCCN(CCC#N)C(=O)CN1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000053096432 540511272 /nfs/dbraw/zinc/51/12/72/540511272.db2.gz QSTWDQHOQWYNLW-UHFFFAOYSA-N 1 2 373.888 2.114 20 30 FEEDLO N#Cc1ccccc1NC(=O)CC[NH+]1CCN(C(=O)c2ccsc2)CC1 ZINC000053323649 540525953 /nfs/dbraw/zinc/52/59/53/540525953.db2.gz LBVAMLYEQHJZJC-UHFFFAOYSA-N 1 2 368.462 2.406 20 30 FEEDLO CC(=O)Nc1cccc2c1CC[N@@H+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C2 ZINC000054389984 540588204 /nfs/dbraw/zinc/58/82/04/540588204.db2.gz IRECSMYBMBFSOU-XOBRGWDASA-N 1 2 356.470 2.446 20 30 FEEDLO CC(=O)Nc1cccc2c1CC[N@H+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C2 ZINC000054389984 540588207 /nfs/dbraw/zinc/58/82/07/540588207.db2.gz IRECSMYBMBFSOU-XOBRGWDASA-N 1 2 356.470 2.446 20 30 FEEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+](CC(N)=O)C2CCCC2)cc1 ZINC000054989707 540620670 /nfs/dbraw/zinc/62/06/70/540620670.db2.gz WRXNRZUDJDABNR-UHFFFAOYSA-N 1 2 372.469 2.062 20 30 FEEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+](CC(N)=O)C2CCCC2)cc1 ZINC000054989707 540620673 /nfs/dbraw/zinc/62/06/73/540620673.db2.gz WRXNRZUDJDABNR-UHFFFAOYSA-N 1 2 372.469 2.062 20 30 FEEDLO CN(C)c1[nH+]cccc1CNS(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000055241601 540639367 /nfs/dbraw/zinc/63/93/67/540639367.db2.gz XPHMFFGQGJAUKG-UHFFFAOYSA-N 1 2 350.831 2.151 20 30 FEEDLO C=CCOc1cccc(NC(=O)N2CCC[N@@H+](CC(=O)NC(C)C)CC2)c1 ZINC000056772400 540744224 /nfs/dbraw/zinc/74/42/24/540744224.db2.gz FRRSQPVBXLFGMF-UHFFFAOYSA-N 1 2 374.485 2.316 20 30 FEEDLO C=CCOc1cccc(NC(=O)N2CCC[N@H+](CC(=O)NC(C)C)CC2)c1 ZINC000056772400 540744226 /nfs/dbraw/zinc/74/42/26/540744226.db2.gz FRRSQPVBXLFGMF-UHFFFAOYSA-N 1 2 374.485 2.316 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)N2CC[NH+](C[C@H]3CCC(F)(F)C3)CC2)cc1 ZINC000550711232 674106622 /nfs/dbraw/zinc/10/66/22/674106622.db2.gz RXXCPKOFSRTTRN-HNNXBMFYSA-N 1 2 369.437 2.300 20 30 FEEDLO Cc1nc(NCc2cccc(C(=O)N3CCSC[C@@H]3C#N)c2)cc[nH+]1 ZINC000541707745 541251193 /nfs/dbraw/zinc/25/11/93/541251193.db2.gz PQGVGEZPXLMPEV-INIZCTEOSA-N 1 2 353.451 2.478 20 30 FEEDLO Cc1noc(C)c1C[NH+]1CCN(CC(=O)Nc2oc(C)c(C)c2C#N)CC1 ZINC000065681318 541252669 /nfs/dbraw/zinc/25/26/69/541252669.db2.gz GZBNVBWHNJYOSU-UHFFFAOYSA-N 1 2 371.441 2.129 20 30 FEEDLO C=CC[N@@H+](CCC(=O)Nc1ccccc1SC)[C@H]1CCS(=O)(=O)C1 ZINC000067400073 541457115 /nfs/dbraw/zinc/45/71/15/541457115.db2.gz ULMMYCBHSGFDOO-AWEZNQCLSA-N 1 2 368.524 2.412 20 30 FEEDLO C=CC[N@H+](CCC(=O)Nc1ccccc1SC)[C@H]1CCS(=O)(=O)C1 ZINC000067400073 541457116 /nfs/dbraw/zinc/45/71/16/541457116.db2.gz ULMMYCBHSGFDOO-AWEZNQCLSA-N 1 2 368.524 2.412 20 30 FEEDLO CC(=O)NC[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000067413957 541460317 /nfs/dbraw/zinc/46/03/17/541460317.db2.gz HIBSORSWAXKPCN-GXTWGEPZSA-N 1 2 374.510 2.284 20 30 FEEDLO CC(=O)NC[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000067413957 541460323 /nfs/dbraw/zinc/46/03/23/541460323.db2.gz HIBSORSWAXKPCN-GXTWGEPZSA-N 1 2 374.510 2.284 20 30 FEEDLO C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000073108393 541919896 /nfs/dbraw/zinc/91/98/96/541919896.db2.gz VHGODWWDYWATAF-NUJGCVRESA-N 1 2 355.486 2.159 20 30 FEEDLO CCC(=O)N1CCC[N@@H+]([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)CC1 ZINC000077390157 542377368 /nfs/dbraw/zinc/37/73/68/542377368.db2.gz SBEOOFWYIALVDD-GNZRSQJKSA-N 1 2 362.518 2.250 20 30 FEEDLO CCC(=O)N1CCC[N@H+]([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)CC1 ZINC000077390157 542377370 /nfs/dbraw/zinc/37/73/70/542377370.db2.gz SBEOOFWYIALVDD-GNZRSQJKSA-N 1 2 362.518 2.250 20 30 FEEDLO COc1ccc(C[NH+]2CCN(C[C@H](C#N)CCC#N)CC2)c(OC)c1OC ZINC000078301357 542453205 /nfs/dbraw/zinc/45/32/05/542453205.db2.gz HVTZXOXNDBSSHM-INIZCTEOSA-N 1 2 372.469 2.274 20 30 FEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000078607151 542470658 /nfs/dbraw/zinc/47/06/58/542470658.db2.gz GKFCHZLBCJYICH-MRXNPFEDSA-N 1 2 358.442 2.306 20 30 FEEDLO C[C@H](C#N)OCC[NH+]1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000801913910 674154821 /nfs/dbraw/zinc/15/48/21/674154821.db2.gz CFTLWFQXDNKMCW-CYBMUJFWSA-N 1 2 355.360 2.392 20 30 FEEDLO C[C@H](C(=O)Nc1ccccc1C#N)N1CCN(C2=[NH+]CC(C)(C)S2)CC1 ZINC000081016686 542624599 /nfs/dbraw/zinc/62/45/99/542624599.db2.gz KCQMBCONEPPIFH-CQSZACIVSA-N 1 2 371.510 2.384 20 30 FEEDLO CCn1c(CN(CCC#N)CC[NH+]2CCOCC2)nc2c1cccc2F ZINC000081158312 542636825 /nfs/dbraw/zinc/63/68/25/542636825.db2.gz AYFQTNAWNRHMDC-UHFFFAOYSA-N 1 2 359.449 2.243 20 30 FEEDLO CN(Cc1[nH+]ccn1C)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000083537431 542698391 /nfs/dbraw/zinc/69/83/91/542698391.db2.gz NMOZQUOFJILJCS-UHFFFAOYSA-N 1 2 358.345 2.131 20 30 FEEDLO C[C@@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)C1 ZINC000088523668 542751862 /nfs/dbraw/zinc/75/18/62/542751862.db2.gz MCTGEDPSRKWRLE-NSHGMRRFSA-N 1 2 354.498 2.373 20 30 FEEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+](Cc2ccccc2F)C2CC2)CC1 ZINC000092616858 542875402 /nfs/dbraw/zinc/87/54/02/542875402.db2.gz ICHLARNECJTHAH-HXUWFJFHSA-N 1 2 372.488 2.482 20 30 FEEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+](Cc2ccccc2F)C2CC2)CC1 ZINC000092616858 542875406 /nfs/dbraw/zinc/87/54/06/542875406.db2.gz ICHLARNECJTHAH-HXUWFJFHSA-N 1 2 372.488 2.482 20 30 FEEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000097138168 543005242 /nfs/dbraw/zinc/00/52/42/543005242.db2.gz FOBDMGXBIUNPJT-UHFFFAOYSA-N 1 2 361.461 2.398 20 30 FEEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000097138168 543005245 /nfs/dbraw/zinc/00/52/45/543005245.db2.gz FOBDMGXBIUNPJT-UHFFFAOYSA-N 1 2 361.461 2.398 20 30 FEEDLO CCCC(=O)N[C@H]1CCC[N@@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000101564104 543033199 /nfs/dbraw/zinc/03/31/99/543033199.db2.gz QRNSSIYRBWFGQR-FUHWJXTLSA-N 1 2 354.454 2.044 20 30 FEEDLO CCCC(=O)N[C@H]1CCC[N@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000101564104 543033203 /nfs/dbraw/zinc/03/32/03/543033203.db2.gz QRNSSIYRBWFGQR-FUHWJXTLSA-N 1 2 354.454 2.044 20 30 FEEDLO C=CCc1cc(C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)cc(OC)c1OC ZINC000104593908 543135723 /nfs/dbraw/zinc/13/57/23/543135723.db2.gz ITMAQFVAQRLFFZ-CABCVRRESA-N 1 2 362.470 2.271 20 30 FEEDLO Cc1nc2c(cnn2C)c(N2CC[NH+](Cc3ccc(C#N)cc3F)CC2)n1 ZINC000106170520 543212124 /nfs/dbraw/zinc/21/21/24/543212124.db2.gz IKOVTCSPAQQPRW-UHFFFAOYSA-N 1 2 365.416 2.005 20 30 FEEDLO C=CCc1cc(C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)cc(OC)c1OC ZINC000115164442 543554151 /nfs/dbraw/zinc/55/41/51/543554151.db2.gz PXJFMYBOLCBXBI-QGZVFWFLSA-N 1 2 360.454 2.025 20 30 FEEDLO C=CCc1cc(C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)cc(OC)c1OC ZINC000115164442 543554154 /nfs/dbraw/zinc/55/41/54/543554154.db2.gz PXJFMYBOLCBXBI-QGZVFWFLSA-N 1 2 360.454 2.025 20 30 FEEDLO N#CCCn1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1 ZINC000117712948 543638282 /nfs/dbraw/zinc/63/82/82/543638282.db2.gz CRAFEFXBTRTIPR-UHFFFAOYSA-N 1 2 351.326 2.143 20 30 FEEDLO C=CC[N@H+]1CCCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000121543991 543696642 /nfs/dbraw/zinc/69/66/42/543696642.db2.gz YNJDROXQHDFVDV-UHFFFAOYSA-N 1 2 365.318 2.393 20 30 FEEDLO C=CC[N@@H+]1CCCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000121543991 543696646 /nfs/dbraw/zinc/69/66/46/543696646.db2.gz YNJDROXQHDFVDV-UHFFFAOYSA-N 1 2 365.318 2.393 20 30 FEEDLO N#Cc1ccccc1N1CC[NH+](Cc2cnc(N3CCOCC3)s2)CC1 ZINC000126921312 543963309 /nfs/dbraw/zinc/96/33/09/543963309.db2.gz KOIIRSQHWWDPTK-UHFFFAOYSA-N 1 2 369.494 2.174 20 30 FEEDLO CC(C)Cn1cc[nH+]c1CNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1 ZINC000131304353 544184723 /nfs/dbraw/zinc/18/47/23/544184723.db2.gz PPEBGLRSJPTKES-UHFFFAOYSA-N 1 2 363.425 2.109 20 30 FEEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(c2ccc(C(F)(F)F)c(C#N)c2)CC1 ZINC000136904835 544380858 /nfs/dbraw/zinc/38/08/58/544380858.db2.gz SQVOXXPJLRRCKG-GFCCVEGCSA-N 1 2 366.387 2.366 20 30 FEEDLO Cn1cc(Br)cc1C[N@H+](C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000151472133 544546319 /nfs/dbraw/zinc/54/63/19/544546319.db2.gz JNGZLHHLFTVTHR-OAHLLOKOSA-N 1 2 353.264 2.028 20 30 FEEDLO Cn1cc(Br)cc1C[N@@H+](C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000151472133 544546321 /nfs/dbraw/zinc/54/63/21/544546321.db2.gz JNGZLHHLFTVTHR-OAHLLOKOSA-N 1 2 353.264 2.028 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000154750627 544944713 /nfs/dbraw/zinc/94/47/13/544944713.db2.gz JDEWNPTWKLHLSV-NRFANRHFSA-N 1 2 373.497 2.292 20 30 FEEDLO CC#CCC[NH+]1CCN(S(=O)(=O)c2cccc3c2N=S=N3)CC1 ZINC000155037714 544980036 /nfs/dbraw/zinc/98/00/36/544980036.db2.gz PGWHJMQNGCAIDH-UHFFFAOYSA-N 1 2 350.469 2.133 20 30 FEEDLO N#Cc1ccc(N2CCC[C@H]([NH+]3CCN(c4ccccn4)CC3)C2=O)cc1 ZINC000182640728 327783128 /nfs/dbraw/zinc/78/31/28/327783128.db2.gz JMWPEQBLIHLBOG-IBGZPJMESA-N 1 2 361.449 2.271 20 30 FEEDLO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000191230595 328255065 /nfs/dbraw/zinc/25/50/65/328255065.db2.gz VZFPIJTTXDCSEJ-INMHGKMJSA-N 1 2 352.394 2.382 20 30 FEEDLO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000191230595 328255067 /nfs/dbraw/zinc/25/50/67/328255067.db2.gz VZFPIJTTXDCSEJ-INMHGKMJSA-N 1 2 352.394 2.382 20 30 FEEDLO COc1cc(C#N)ccc1OCC[NH+]1CCN(C(=O)c2ccccc2)CC1 ZINC000077247243 324982856 /nfs/dbraw/zinc/98/28/56/324982856.db2.gz JFAUOXFMPHDXIJ-UHFFFAOYSA-N 1 2 365.433 2.404 20 30 FEEDLO C[C@@H](C(=O)Nc1ccccc1C#N)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000081019010 325154669 /nfs/dbraw/zinc/15/46/69/325154669.db2.gz BMLSMWZZPKAVGF-INIZCTEOSA-N 1 2 364.449 2.409 20 30 FEEDLO C[C@@H](c1cccnc1)[NH+]1CCN(C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000118836557 326106343 /nfs/dbraw/zinc/10/63/43/326106343.db2.gz YIYQRFVZDSLQCY-FXAWDEMLSA-N 1 2 366.465 2.072 20 30 FEEDLO CCOC(=O)c1c[nH]n(C2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1=N ZINC000118838858 326106663 /nfs/dbraw/zinc/10/66/63/326106663.db2.gz ADGDIFBJFFYWKR-UHFFFAOYSA-N 1 2 353.426 2.181 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(CCNC(=O)c3ccccc3F)CC2)s1 ZINC000120064410 326226965 /nfs/dbraw/zinc/22/69/65/326226965.db2.gz XGEOLXZYTVXBDW-UHFFFAOYSA-N 1 2 372.469 2.306 20 30 FEEDLO Cc1ccc(C[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)c(O[C@@H]2CCOC2)c1 ZINC000131009604 326567327 /nfs/dbraw/zinc/56/73/27/326567327.db2.gz JKIMAQOWMYAYEB-UYAOXDASSA-N 1 2 365.433 2.351 20 30 FEEDLO N#Cc1cccc(NCC(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)c1 ZINC000151906465 326694270 /nfs/dbraw/zinc/69/42/70/326694270.db2.gz CSNQEGGMMCGWOT-HXUWFJFHSA-N 1 2 364.449 2.160 20 30 FEEDLO Cc1occc1C(=O)NC1CC[NH+](CC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000170777838 327098827 /nfs/dbraw/zinc/09/88/27/327098827.db2.gz CPOHFWYWADFVHT-UHFFFAOYSA-N 1 2 366.421 2.293 20 30 FEEDLO Cc1[nH+]c2ccccc2n1CCNC(=O)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000170839390 327101610 /nfs/dbraw/zinc/10/16/10/327101610.db2.gz FUSFQBNMNPIPHE-UHFFFAOYSA-N 1 2 365.368 2.110 20 30 FEEDLO CCOC(=O)N[C@H]1CCC[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000173527291 327263901 /nfs/dbraw/zinc/26/39/01/327263901.db2.gz FETGQSMPNQVTPU-HNNXBMFYSA-N 1 2 355.398 2.319 20 30 FEEDLO CCOC(=O)N[C@H]1CCC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000173527291 327263903 /nfs/dbraw/zinc/26/39/03/327263903.db2.gz FETGQSMPNQVTPU-HNNXBMFYSA-N 1 2 355.398 2.319 20 30 FEEDLO Cc1cccc(NC(=O)C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)c1C#N ZINC000174650299 327341409 /nfs/dbraw/zinc/34/14/09/327341409.db2.gz NPDIOUFHHVAUAR-UHFFFAOYSA-N 1 2 373.416 2.366 20 30 FEEDLO N#Cc1ccc(SCC(=O)NCc2cc[nH+]c(N3CCOCC3)c2)cc1 ZINC000264022440 328985236 /nfs/dbraw/zinc/98/52/36/328985236.db2.gz RXHSHTXYZGQXTO-UHFFFAOYSA-N 1 2 368.462 2.198 20 30 FEEDLO C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CCN(c2cccc(O)c2)CC1 ZINC000265962461 329177045 /nfs/dbraw/zinc/17/70/45/329177045.db2.gz RDENXRXTDZKEBD-OAHLLOKOSA-N 1 2 350.422 2.413 20 30 FEEDLO COc1ccc(C[NH+]2CCN(c3ncc([N+](=O)[O-])cc3C#N)CC2)cc1F ZINC000266504832 329230519 /nfs/dbraw/zinc/23/05/19/329230519.db2.gz AJOSYYAEDHEMRF-UHFFFAOYSA-N 1 2 371.372 2.331 20 30 FEEDLO C[C@H](C(=O)Nc1cccc(F)c1)[NH+]1CCN(c2ccc(C#N)nc2)CC1 ZINC000267373348 329320295 /nfs/dbraw/zinc/32/02/95/329320295.db2.gz KIYFISLODNJORD-CQSZACIVSA-N 1 2 353.401 2.242 20 30 FEEDLO COc1ccnc(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1OC ZINC000276507765 330159610 /nfs/dbraw/zinc/15/96/10/330159610.db2.gz UGVFWDSCNFKXDX-UHFFFAOYSA-N 1 2 352.438 2.288 20 30 FEEDLO C#C[C@@H](NC(=O)NCC[N@H+]1CCOC[C@@H]1C)c1ccc(Cl)cc1F ZINC000805187783 674324981 /nfs/dbraw/zinc/32/49/81/674324981.db2.gz VVFPYENINMOQIM-BLLLJJGKSA-N 1 2 353.825 2.173 20 30 FEEDLO C#C[C@@H](NC(=O)NCC[N@@H+]1CCOC[C@@H]1C)c1ccc(Cl)cc1F ZINC000805187783 674324983 /nfs/dbraw/zinc/32/49/83/674324983.db2.gz VVFPYENINMOQIM-BLLLJJGKSA-N 1 2 353.825 2.173 20 30 FEEDLO Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@H+](C[C@H](C#N)CCC#N)C2)cc1 ZINC000156613217 545639860 /nfs/dbraw/zinc/63/98/60/545639860.db2.gz AIZSJKWKBRPOOW-ROUUACIJSA-N 1 2 374.510 2.429 20 30 FEEDLO Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@@H+](C[C@H](C#N)CCC#N)C2)cc1 ZINC000156613217 545639863 /nfs/dbraw/zinc/63/98/63/545639863.db2.gz AIZSJKWKBRPOOW-ROUUACIJSA-N 1 2 374.510 2.429 20 30 FEEDLO CC1CCC(NC(=O)C[NH+]2CCN(Cc3ccccc3C#N)CC2)CC1 ZINC000477417444 561144337 /nfs/dbraw/zinc/14/43/37/561144337.db2.gz ZHCGLJHXUCDXAX-UHFFFAOYSA-N 1 2 354.498 2.371 20 30 FEEDLO C[C@@H](NC(=O)c1occc1COc1cccc(C#N)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000157692150 545769650 /nfs/dbraw/zinc/76/96/50/545769650.db2.gz XRHSGJUWDATLSA-KDOFPFPSSA-N 1 2 369.421 2.179 20 30 FEEDLO C[C@@H](NC(=O)c1occc1COc1cccc(C#N)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000157692150 545769659 /nfs/dbraw/zinc/76/96/59/545769659.db2.gz XRHSGJUWDATLSA-KDOFPFPSSA-N 1 2 369.421 2.179 20 30 FEEDLO COC(C[NH+]1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1)OC ZINC000162186200 546137478 /nfs/dbraw/zinc/13/74/78/546137478.db2.gz WEOYTQZNFXCMEK-HNNXBMFYSA-N 1 2 368.275 2.250 20 30 FEEDLO C=CC[N@@H+](Cc1ccc2oc(C(=O)OC)cc2c1)[C@H]1CCS(=O)(=O)C1 ZINC000172798679 546267933 /nfs/dbraw/zinc/26/79/33/546267933.db2.gz DRYDDHJBAMENNG-HNNXBMFYSA-N 1 2 363.435 2.395 20 30 FEEDLO C=CC[N@H+](Cc1ccc2oc(C(=O)OC)cc2c1)[C@H]1CCS(=O)(=O)C1 ZINC000172798679 546267940 /nfs/dbraw/zinc/26/79/40/546267940.db2.gz DRYDDHJBAMENNG-HNNXBMFYSA-N 1 2 363.435 2.395 20 30 FEEDLO Cc1cc(S(=O)(=O)N2CC[NH+](CCCSCC#N)CC2)c(C)s1 ZINC000174131967 546292474 /nfs/dbraw/zinc/29/24/74/546292474.db2.gz YLMSHPZTEWSVNZ-UHFFFAOYSA-N 1 2 373.569 2.318 20 30 FEEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](Cc2cc(=O)n3ccccc3n2)CC1 ZINC000174576943 546298819 /nfs/dbraw/zinc/29/88/19/546298819.db2.gz DCCWOCAGUIPYCJ-IBGZPJMESA-N 1 2 359.433 2.077 20 30 FEEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1)C1CC1 ZINC000175170436 546306768 /nfs/dbraw/zinc/30/67/68/546306768.db2.gz NPSSKJXZVWWAAT-NQIIRXRSSA-N 1 2 368.481 2.079 20 30 FEEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1)C1CC1 ZINC000175170436 546306773 /nfs/dbraw/zinc/30/67/73/546306773.db2.gz NPSSKJXZVWWAAT-NQIIRXRSSA-N 1 2 368.481 2.079 20 30 FEEDLO C[N@H+](C[C@H]1COc2ccccc2O1)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000176985956 546519399 /nfs/dbraw/zinc/51/93/99/546519399.db2.gz PDBLHNDRTWJIKP-LSDHHAIUSA-N 1 2 369.446 2.497 20 30 FEEDLO C[N@@H+](C[C@H]1COc2ccccc2O1)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000176985956 546519404 /nfs/dbraw/zinc/51/94/04/546519404.db2.gz PDBLHNDRTWJIKP-LSDHHAIUSA-N 1 2 369.446 2.497 20 30 FEEDLO CCO[C@H]1C[C@@H](O)C12CC[NH+]([C@H](C(=O)OC)c1cccc(C#N)c1)CC2 ZINC000177126057 546550293 /nfs/dbraw/zinc/55/02/93/546550293.db2.gz SUHNPCRLEVFRBD-SQNIBIBYSA-N 1 2 358.438 2.024 20 30 FEEDLO N#CCCN(CCC#N)C(=O)C[N@@H+]1CCC[C@H]1CC(=O)c1cccs1 ZINC000177401316 546611372 /nfs/dbraw/zinc/61/13/72/546611372.db2.gz QNZOXNFMFOWFDL-HNNXBMFYSA-N 1 2 358.467 2.441 20 30 FEEDLO N#CCCN(CCC#N)C(=O)C[N@H+]1CCC[C@H]1CC(=O)c1cccs1 ZINC000177401316 546611374 /nfs/dbraw/zinc/61/13/74/546611374.db2.gz QNZOXNFMFOWFDL-HNNXBMFYSA-N 1 2 358.467 2.441 20 30 FEEDLO C=CCCS(=O)(=O)NCc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000178299906 546771892 /nfs/dbraw/zinc/77/18/92/546771892.db2.gz PDMWZNJCWLGAOQ-HZPDHXFCSA-N 1 2 352.500 2.291 20 30 FEEDLO N#Cc1ccc(Cl)cc1NC(=O)C[NH+]1CCC(O[C@@H]2CCOC2)CC1 ZINC000483035418 561265576 /nfs/dbraw/zinc/26/55/76/561265576.db2.gz JYRIQOHMAHWHFP-MRXNPFEDSA-N 1 2 363.845 2.420 20 30 FEEDLO COc1ccc(C[N@H+](Cc2cc(C#N)n(C)c2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000483147781 561268934 /nfs/dbraw/zinc/26/89/34/561268934.db2.gz CJKBFADNRLFGAK-QGZVFWFLSA-N 1 2 373.478 2.095 20 30 FEEDLO COc1ccc(C[N@@H+](Cc2cc(C#N)n(C)c2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000483147781 561268935 /nfs/dbraw/zinc/26/89/35/561268935.db2.gz CJKBFADNRLFGAK-QGZVFWFLSA-N 1 2 373.478 2.095 20 30 FEEDLO N#Cc1nc(-c2ccco2)oc1N1CC[NH+](CCO[C@H]2CCCCO2)CC1 ZINC000181748316 547373363 /nfs/dbraw/zinc/37/33/63/547373363.db2.gz KRJZSLLHTHVRMH-KRWDZBQOSA-N 1 2 372.425 2.471 20 30 FEEDLO C[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1cccc(C#N)c1 ZINC000182207362 547453657 /nfs/dbraw/zinc/45/36/57/547453657.db2.gz XYULPCWKINLMBR-UHFFFAOYSA-N 1 2 359.407 2.372 20 30 FEEDLO C[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1cccc(C#N)c1 ZINC000182207362 547453658 /nfs/dbraw/zinc/45/36/58/547453658.db2.gz XYULPCWKINLMBR-UHFFFAOYSA-N 1 2 359.407 2.372 20 30 FEEDLO C=CC[N@@H+](CCOC)CC(=O)Nc1sc2c(c1C(=O)OC)CCCC2 ZINC000484690179 561303399 /nfs/dbraw/zinc/30/33/99/561303399.db2.gz OHXJVWWJYCUXLS-UHFFFAOYSA-N 1 2 366.483 2.486 20 30 FEEDLO C=CC[N@H+](CCOC)CC(=O)Nc1sc2c(c1C(=O)OC)CCCC2 ZINC000484690179 561303400 /nfs/dbraw/zinc/30/34/00/561303400.db2.gz OHXJVWWJYCUXLS-UHFFFAOYSA-N 1 2 366.483 2.486 20 30 FEEDLO C=CCc1ccc(OC[C@@H](O)C[N@H+]2C[C@@H](C)[S@](=O)[C@@H](C)C2)c(OC)c1 ZINC000484727816 561304508 /nfs/dbraw/zinc/30/45/08/561304508.db2.gz MFLFCZQIDAZGJE-CSPFJCCKSA-N 1 2 367.511 2.005 20 30 FEEDLO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2C[C@@H](C)[S@](=O)[C@@H](C)C2)c(OC)c1 ZINC000484727816 561304509 /nfs/dbraw/zinc/30/45/09/561304509.db2.gz MFLFCZQIDAZGJE-CSPFJCCKSA-N 1 2 367.511 2.005 20 30 FEEDLO N#CCOc1ccc(CNC(=O)N2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000184610904 547854118 /nfs/dbraw/zinc/85/41/18/547854118.db2.gz IZHSMICPGABWTM-UHFFFAOYSA-N 1 2 365.437 2.011 20 30 FEEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1C[C@@H](OC)C[C@@H]1c1nc(C)no1 ZINC000189347767 548300613 /nfs/dbraw/zinc/30/06/13/548300613.db2.gz DNWOJLYWBVGXCE-FGTMMUONSA-N 1 2 373.453 2.308 20 30 FEEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1C[C@@H](OC)C[C@@H]1c1nc(C)no1 ZINC000189347767 548300619 /nfs/dbraw/zinc/30/06/19/548300619.db2.gz DNWOJLYWBVGXCE-FGTMMUONSA-N 1 2 373.453 2.308 20 30 FEEDLO CC(C)c1ccc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000189505695 548304619 /nfs/dbraw/zinc/30/46/19/548304619.db2.gz LVVSGZWGIIRTKW-UHFFFAOYSA-N 1 2 374.441 2.406 20 30 FEEDLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@]1(C#N)CCC[C@H](C)C1 ZINC000486397718 561346199 /nfs/dbraw/zinc/34/61/99/561346199.db2.gz SHTWKGHCDXNEKR-ZSZQSSIHSA-N 1 2 359.474 2.072 20 30 FEEDLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@]1(C#N)CCC[C@H](C)C1 ZINC000486397718 561346200 /nfs/dbraw/zinc/34/62/00/561346200.db2.gz SHTWKGHCDXNEKR-ZSZQSSIHSA-N 1 2 359.474 2.072 20 30 FEEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH+]2CCC(O)CC2)c1C#N ZINC000198201341 548658786 /nfs/dbraw/zinc/65/87/86/548658786.db2.gz FUVVCMIUFFAVCR-UHFFFAOYSA-N 1 2 356.426 2.013 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)CN1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000214687451 548667988 /nfs/dbraw/zinc/66/79/88/548667988.db2.gz IXKOUIUAWBIUKP-UKSYNSBOSA-N 1 2 354.498 2.372 20 30 FEEDLO CO[C@@H]1C[NH+](CC(=O)Nc2ccccc2S[C@@H](C)CC#N)C[C@H]1OC ZINC000488090922 561383280 /nfs/dbraw/zinc/38/32/80/561383280.db2.gz LNZKQHGMGUYPJK-NUEKZKHPSA-N 1 2 363.483 2.365 20 30 FEEDLO Cn1c(C[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)nc2cc(Cl)ccc21 ZINC000488131174 561384077 /nfs/dbraw/zinc/38/40/77/561384077.db2.gz YAXSZXVHLMFYJQ-KRWDZBQOSA-N 1 2 353.813 2.415 20 30 FEEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+](C)C[C@@H](O)C(F)(F)F ZINC000245966439 549029658 /nfs/dbraw/zinc/02/96/58/549029658.db2.gz DYZDSXAJYTVMSN-BXUZGUMPSA-N 1 2 361.339 2.316 20 30 FEEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+](C)C[C@@H](O)C(F)(F)F ZINC000245966439 549029661 /nfs/dbraw/zinc/02/96/61/549029661.db2.gz DYZDSXAJYTVMSN-BXUZGUMPSA-N 1 2 361.339 2.316 20 30 FEEDLO C=CCn1cccc1C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000488987939 561400937 /nfs/dbraw/zinc/40/09/37/561400937.db2.gz SRGOJNHVLMETSL-UHFFFAOYSA-N 1 2 369.465 2.315 20 30 FEEDLO C=CCCCS(=O)(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000489116511 561403785 /nfs/dbraw/zinc/40/37/85/561403785.db2.gz XBFMRUUYIMODSI-GJZGRUSLSA-N 1 2 353.488 2.081 20 30 FEEDLO COc1ccc2c(CC(=O)N(CCC#N)CC[NH+]3CCOCC3)coc2c1 ZINC000247981446 549398276 /nfs/dbraw/zinc/39/82/76/549398276.db2.gz XTYXBYFYGRFJRY-UHFFFAOYSA-N 1 2 371.437 2.058 20 30 FEEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCO[C@@H](c2cnn(CC)c2)C1 ZINC000248707964 549488689 /nfs/dbraw/zinc/48/86/89/549488689.db2.gz HYSCQULEBVTMTG-TZIWHRDSSA-N 1 2 371.481 2.445 20 30 FEEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCO[C@@H](c2cnn(CC)c2)C1 ZINC000248707964 549488691 /nfs/dbraw/zinc/48/86/91/549488691.db2.gz HYSCQULEBVTMTG-TZIWHRDSSA-N 1 2 371.481 2.445 20 30 FEEDLO Cn1ncc2c1nc[nH+]c2N1CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000264121547 549981097 /nfs/dbraw/zinc/98/10/97/549981097.db2.gz OBZVRPPAAULQDS-UHFFFAOYSA-N 1 2 353.817 2.215 20 30 FEEDLO C=CC[N@@H+](CCc1ccco1)Cc1nnc2n1c1ccsc1c(=O)n2C ZINC000491379236 561445187 /nfs/dbraw/zinc/44/51/87/561445187.db2.gz IKOMIYCRTBVTKE-UHFFFAOYSA-N 1 2 369.450 2.466 20 30 FEEDLO C=CC[N@H+](CCc1ccco1)Cc1nnc2n1c1ccsc1c(=O)n2C ZINC000491379236 561445188 /nfs/dbraw/zinc/44/51/88/561445188.db2.gz IKOMIYCRTBVTKE-UHFFFAOYSA-N 1 2 369.450 2.466 20 30 FEEDLO C=C1CC[NH+](CC(=O)Nc2cccc(C(=O)N3CCSCC3)c2)CC1 ZINC000264517611 549997458 /nfs/dbraw/zinc/99/74/58/549997458.db2.gz ZFMNSYMNJAZNBD-UHFFFAOYSA-N 1 2 359.495 2.466 20 30 FEEDLO COc1ccc(C(N)=[NH+]O[C@@H](C)C(=O)Nc2ccc(OC)c(OC)c2)cc1 ZINC000264939618 550004453 /nfs/dbraw/zinc/00/44/53/550004453.db2.gz HPRYYWOBETXNHJ-LBPRGKRZSA-N 1 2 373.409 2.377 20 30 FEEDLO N#CCOc1ccc(CNC(=O)c2ccccc2C[NH+]2CCOCC2)cc1 ZINC000266803964 550023883 /nfs/dbraw/zinc/02/38/83/550023883.db2.gz FXJSDAXKVBHUME-UHFFFAOYSA-N 1 2 365.433 2.351 20 30 FEEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@@](F)(C(=O)OC)C1 ZINC000267765016 550034766 /nfs/dbraw/zinc/03/47/66/550034766.db2.gz FYCIYGZKMMFISS-GUYCJALGSA-N 1 2 354.447 2.238 20 30 FEEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@@](F)(C(=O)OC)C1 ZINC000267765016 550034767 /nfs/dbraw/zinc/03/47/67/550034767.db2.gz FYCIYGZKMMFISS-GUYCJALGSA-N 1 2 354.447 2.238 20 30 FEEDLO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C)c1nc(-c2ccc(CC)cc2)no1 ZINC000268497115 550076991 /nfs/dbraw/zinc/07/69/91/550076991.db2.gz PHKNNLPPSVNVPN-CHWSQXEVSA-N 1 2 371.441 2.350 20 30 FEEDLO COc1ccc([C@H](CNc2cccc(C#N)n2)[NH+]2CCOCC2)cc1OC ZINC000269270195 550175060 /nfs/dbraw/zinc/17/50/60/550175060.db2.gz DANSEVIUQQHDSB-KRWDZBQOSA-N 1 2 368.437 2.456 20 30 FEEDLO C[N@H+](CCc1nccs1)CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000269890428 550233774 /nfs/dbraw/zinc/23/37/74/550233774.db2.gz RZRIDJOFKGQRJF-ZDUSSCGKSA-N 1 2 367.434 2.143 20 30 FEEDLO C[N@@H+](CCc1nccs1)CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000269890428 550233775 /nfs/dbraw/zinc/23/37/75/550233775.db2.gz RZRIDJOFKGQRJF-ZDUSSCGKSA-N 1 2 367.434 2.143 20 30 FEEDLO C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000272552098 550457888 /nfs/dbraw/zinc/45/78/88/550457888.db2.gz NOHMQOUBGQIIIO-KGLIPLIRSA-N 1 2 367.409 2.045 20 30 FEEDLO C[C@@H](C#N)Oc1ccccc1NC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000272688858 550465384 /nfs/dbraw/zinc/46/53/84/550465384.db2.gz PWBAGTSJFGLAMC-INIZCTEOSA-N 1 2 371.441 2.057 20 30 FEEDLO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H](C)c1nc(-c2ccccc2OC)no1 ZINC000273442376 550498968 /nfs/dbraw/zinc/49/89/68/550498968.db2.gz ZSFVHGFBWFIICR-KGLIPLIRSA-N 1 2 371.441 2.404 20 30 FEEDLO Cc1cc(N(CCC#N)C(=O)C[NH2+][C@H](C)c2nncn2C)ccc1Cl ZINC000275029368 550570371 /nfs/dbraw/zinc/57/03/71/550570371.db2.gz AFLMKGJSPFAWFI-CYBMUJFWSA-N 1 2 360.849 2.374 20 30 FEEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[S@](=O)C[C@H](C)C1 ZINC000277366341 550661703 /nfs/dbraw/zinc/66/17/03/550661703.db2.gz GYFBULABDMQQBF-USGALAMMSA-N 1 2 354.541 2.352 20 30 FEEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[S@](=O)C[C@H](C)C1 ZINC000277366341 550661704 /nfs/dbraw/zinc/66/17/04/550661704.db2.gz GYFBULABDMQQBF-USGALAMMSA-N 1 2 354.541 2.352 20 30 FEEDLO N#Cc1ccc(N2CC[C@H]([N@@H+]3CCC[C@@H]([C@H](O)C(F)(F)F)C3)C2=O)cc1 ZINC000277637601 550695258 /nfs/dbraw/zinc/69/52/58/550695258.db2.gz BWVNGYUVYLOMGR-KBMXLJTQSA-N 1 2 367.371 2.299 20 30 FEEDLO N#Cc1ccc(N2CC[C@H]([N@H+]3CCC[C@@H]([C@H](O)C(F)(F)F)C3)C2=O)cc1 ZINC000277637601 550695260 /nfs/dbraw/zinc/69/52/60/550695260.db2.gz BWVNGYUVYLOMGR-KBMXLJTQSA-N 1 2 367.371 2.299 20 30 FEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1cc(O)c2ccccc2c1 ZINC000279521224 550899289 /nfs/dbraw/zinc/89/92/89/550899289.db2.gz LWGZGLFGOTXJRP-UHFFFAOYSA-N 1 2 353.422 2.233 20 30 FEEDLO C#CCn1ccc(C[N@@H+](CC)Cc2cc(C(=O)OC)cc(C(=O)OC)c2)n1 ZINC000279800622 550930350 /nfs/dbraw/zinc/93/03/50/550930350.db2.gz WQBKGBCBTFREEG-UHFFFAOYSA-N 1 2 369.421 2.112 20 30 FEEDLO C#CCn1ccc(C[N@H+](CC)Cc2cc(C(=O)OC)cc(C(=O)OC)c2)n1 ZINC000279800622 550930352 /nfs/dbraw/zinc/93/03/52/550930352.db2.gz WQBKGBCBTFREEG-UHFFFAOYSA-N 1 2 369.421 2.112 20 30 FEEDLO C[C@H]1C[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)CC2(CCOCC2)O1 ZINC000279941050 550945093 /nfs/dbraw/zinc/94/50/93/550945093.db2.gz XFNIOHJITWMPMV-AWEZNQCLSA-N 1 2 354.410 2.378 20 30 FEEDLO C[C@H]1C[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)CC2(CCOCC2)O1 ZINC000279941050 550945094 /nfs/dbraw/zinc/94/50/94/550945094.db2.gz XFNIOHJITWMPMV-AWEZNQCLSA-N 1 2 354.410 2.378 20 30 FEEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000280252847 550974624 /nfs/dbraw/zinc/97/46/24/550974624.db2.gz BQKSDGBMSZKYOM-HLIPFELVSA-N 1 2 357.454 2.202 20 30 FEEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000280252847 550974625 /nfs/dbraw/zinc/97/46/25/550974625.db2.gz BQKSDGBMSZKYOM-HLIPFELVSA-N 1 2 357.454 2.202 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Cc3ccc4n[nH]cc4c3)CC2)cc1 ZINC000280347185 550983626 /nfs/dbraw/zinc/98/36/26/550983626.db2.gz SVUBIOQRJCDQAC-UHFFFAOYSA-N 1 2 359.433 2.321 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C(=O)NC(=O)Nc2ccc(C)cc2C)C1=O ZINC000281341756 551086427 /nfs/dbraw/zinc/08/64/27/551086427.db2.gz MMOMVIGEOOVQHG-WBVHZDCISA-N 1 2 372.469 2.059 20 30 FEEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)C(=O)NC(=O)Nc2ccc(C)cc2C)C1=O ZINC000281341756 551086428 /nfs/dbraw/zinc/08/64/28/551086428.db2.gz MMOMVIGEOOVQHG-WBVHZDCISA-N 1 2 372.469 2.059 20 30 FEEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)Nc2cc(Cl)ccc2OC)C1=O ZINC000281929623 551159127 /nfs/dbraw/zinc/15/91/27/551159127.db2.gz HWANUOKVZRFXRT-CQSZACIVSA-N 1 2 351.834 2.006 20 30 FEEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)Nc2cc(Cl)ccc2OC)C1=O ZINC000281929623 551159128 /nfs/dbraw/zinc/15/91/28/551159128.db2.gz HWANUOKVZRFXRT-CQSZACIVSA-N 1 2 351.834 2.006 20 30 FEEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)Nc2ccccc2Br)C1=O ZINC000282031556 551171956 /nfs/dbraw/zinc/17/19/56/551171956.db2.gz QCZDUEPWCLUVIM-AWEZNQCLSA-N 1 2 366.259 2.106 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)Nc2ccccc2Br)C1=O ZINC000282031556 551171957 /nfs/dbraw/zinc/17/19/57/551171957.db2.gz QCZDUEPWCLUVIM-AWEZNQCLSA-N 1 2 366.259 2.106 20 30 FEEDLO CC(C)(C)n1ncnc1CO[NH+]=C(N)c1ccc(N2CCCCC2)nc1 ZINC000282147460 551186403 /nfs/dbraw/zinc/18/64/03/551186403.db2.gz BMASKGQOPYHGTB-UHFFFAOYSA-N 1 2 357.462 2.256 20 30 FEEDLO CN(CCC#N)C(=O)C(=O)Nc1cccc(C[N@H+](C)Cc2cscn2)c1 ZINC000283234471 551333576 /nfs/dbraw/zinc/33/35/76/551333576.db2.gz KEOJIHPOVMIQBF-UHFFFAOYSA-N 1 2 371.466 2.086 20 30 FEEDLO CN(CCC#N)C(=O)C(=O)Nc1cccc(C[N@@H+](C)Cc2cscn2)c1 ZINC000283234471 551333578 /nfs/dbraw/zinc/33/35/78/551333578.db2.gz KEOJIHPOVMIQBF-UHFFFAOYSA-N 1 2 371.466 2.086 20 30 FEEDLO N#Cc1ccc(N2CC[NH+](C[C@@H]3CCCS(=O)(=O)C3)CC2)c(Cl)c1 ZINC000284091903 551481972 /nfs/dbraw/zinc/48/19/72/551481972.db2.gz LYFQKNGPASXURP-HNNXBMFYSA-N 1 2 367.902 2.158 20 30 FEEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)CO[NH+]=C(N)[C@@H]1CCCO1 ZINC000284565307 551578761 /nfs/dbraw/zinc/57/87/61/551578761.db2.gz WQDXCXPECZTTNF-JSGCOSHPSA-N 1 2 362.455 2.487 20 30 FEEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000284830824 551645491 /nfs/dbraw/zinc/64/54/91/551645491.db2.gz OVFXJMIBTMYGRZ-AEFFLSMTSA-N 1 2 358.442 2.282 20 30 FEEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000284830824 551645493 /nfs/dbraw/zinc/64/54/93/551645493.db2.gz OVFXJMIBTMYGRZ-AEFFLSMTSA-N 1 2 358.442 2.282 20 30 FEEDLO Cn1nccc1C1=CC[N@@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000285483833 551763530 /nfs/dbraw/zinc/76/35/30/551763530.db2.gz DACYKHAWBULIKP-MRXNPFEDSA-N 1 2 353.451 2.248 20 30 FEEDLO Cn1nccc1C1=CC[N@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000285483833 551763532 /nfs/dbraw/zinc/76/35/32/551763532.db2.gz DACYKHAWBULIKP-MRXNPFEDSA-N 1 2 353.451 2.248 20 30 FEEDLO CN(C[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2C#N)C1)S(C)(=O)=O ZINC000285567709 551775825 /nfs/dbraw/zinc/77/58/25/551775825.db2.gz KAQOQMSXRBCSHE-ZDUSSCGKSA-N 1 2 355.891 2.315 20 30 FEEDLO CN(C[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2C#N)C1)S(C)(=O)=O ZINC000285567709 551775826 /nfs/dbraw/zinc/77/58/26/551775826.db2.gz KAQOQMSXRBCSHE-ZDUSSCGKSA-N 1 2 355.891 2.315 20 30 FEEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+](C)[C@@H]2COC[C@H]2O)c1C#N ZINC000285650343 551789524 /nfs/dbraw/zinc/78/95/24/551789524.db2.gz SKQILIQFNUINSU-QZTJIDSGSA-N 1 2 374.485 2.112 20 30 FEEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+](C)[C@@H]2COC[C@H]2O)c1C#N ZINC000285650343 551789526 /nfs/dbraw/zinc/78/95/26/551789526.db2.gz SKQILIQFNUINSU-QZTJIDSGSA-N 1 2 374.485 2.112 20 30 FEEDLO C=CCn1c(=O)c2ccc(C(=O)N[C@H]3CCCC[C@@H]3C[NH3+])cc2[nH]c1=S ZINC000285720190 551800827 /nfs/dbraw/zinc/80/08/27/551800827.db2.gz NEYXEFSBUTXCCY-HIFRSBDPSA-N 1 2 372.494 2.119 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)o1 ZINC000286851274 551933284 /nfs/dbraw/zinc/93/32/84/551933284.db2.gz LACHDFUMCFYURF-UHFFFAOYSA-N 1 2 360.439 2.405 20 30 FEEDLO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)Cc3nncn3C)sc2C1 ZINC000287090045 551962322 /nfs/dbraw/zinc/96/23/22/551962322.db2.gz XAIABJMJBGOFJI-LBPRGKRZSA-N 1 2 372.498 2.334 20 30 FEEDLO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+](C)Cc3nncn3C)sc2C1 ZINC000287090045 551962323 /nfs/dbraw/zinc/96/23/23/551962323.db2.gz XAIABJMJBGOFJI-LBPRGKRZSA-N 1 2 372.498 2.334 20 30 FEEDLO C#CCOc1ccc(F)cc1NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000287140120 551968540 /nfs/dbraw/zinc/96/85/40/551968540.db2.gz NRKWJEQFKINOMS-ZBFHGGJFSA-N 1 2 361.417 2.165 20 30 FEEDLO C=CCNC(=O)c1ccc(NC(=O)[C@H]2COCC[N@@H+]2CC2CCC2)cc1 ZINC000287386038 551997229 /nfs/dbraw/zinc/99/72/29/551997229.db2.gz CMUBTPIEBMKEPN-GOSISDBHSA-N 1 2 357.454 2.042 20 30 FEEDLO C=CCNC(=O)c1ccc(NC(=O)[C@H]2COCC[N@H+]2CC2CCC2)cc1 ZINC000287386038 551997231 /nfs/dbraw/zinc/99/72/31/551997231.db2.gz CMUBTPIEBMKEPN-GOSISDBHSA-N 1 2 357.454 2.042 20 30 FEEDLO Cc1onc(CC(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)c1C#N ZINC000499606262 561554543 /nfs/dbraw/zinc/55/45/43/561554543.db2.gz VCANBMMZZGJPQA-YVMONPNESA-N 1 2 350.422 2.255 20 30 FEEDLO CCO[C@@H]1C[C@@]([NH2+]CCCC2(C#N)CCOCC2)(C(=O)OC)C1(C)C ZINC000499702886 561556413 /nfs/dbraw/zinc/55/64/13/561556413.db2.gz FZDUHGYOXJRWIE-DNVCBOLYSA-N 1 2 352.475 2.423 20 30 FEEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)N[C@H](CC)c2ccccc2OCC)C1=O ZINC000500015319 561564184 /nfs/dbraw/zinc/56/41/84/561564184.db2.gz PDIVBCPYZRVITJ-QZTJIDSGSA-N 1 2 373.497 2.371 20 30 FEEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)N[C@H](CC)c2ccccc2OCC)C1=O ZINC000500015319 561564185 /nfs/dbraw/zinc/56/41/85/561564185.db2.gz PDIVBCPYZRVITJ-QZTJIDSGSA-N 1 2 373.497 2.371 20 30 FEEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)N[C@@H](CC)c2ccccc2OCC)C1=O ZINC000500015321 561564237 /nfs/dbraw/zinc/56/42/37/561564237.db2.gz PDIVBCPYZRVITJ-ZWKOTPCHSA-N 1 2 373.497 2.371 20 30 FEEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)N[C@@H](CC)c2ccccc2OCC)C1=O ZINC000500015321 561564238 /nfs/dbraw/zinc/56/42/38/561564238.db2.gz PDIVBCPYZRVITJ-ZWKOTPCHSA-N 1 2 373.497 2.371 20 30 FEEDLO C#CCC(CC#C)C(=O)N1CC[NH+](Cc2cc(OC)cc(OC)c2)CC1 ZINC000289208337 552282950 /nfs/dbraw/zinc/28/29/50/552282950.db2.gz MRAAFOYGJOUJEU-UHFFFAOYSA-N 1 2 354.450 2.011 20 30 FEEDLO C=CCN(CC=C)C(=O)C[NH+]1CCN(C(=O)CCCc2ccccc2)CC1 ZINC000500596604 561577792 /nfs/dbraw/zinc/57/77/92/561577792.db2.gz AOLOXKDLJKMXGB-UHFFFAOYSA-N 1 2 369.509 2.354 20 30 FEEDLO C=CCN(CC1CCCCC1)C(=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000290515942 552491497 /nfs/dbraw/zinc/49/14/97/552491497.db2.gz NPJKDXNDIZRQCC-GOSISDBHSA-N 1 2 370.497 2.371 20 30 FEEDLO C=CCN(CC1CCCCC1)C(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000290515945 552491540 /nfs/dbraw/zinc/49/15/40/552491540.db2.gz NPJKDXNDIZRQCC-SFHVURJKSA-N 1 2 370.497 2.371 20 30 FEEDLO COc1cc(CNc2cccc(C[N@@H+]3CCNC(=O)C3)c2)ccc1C#N ZINC000291096572 552586354 /nfs/dbraw/zinc/58/63/54/552586354.db2.gz QJHBTGDGUORONO-UHFFFAOYSA-N 1 2 350.422 2.111 20 30 FEEDLO COc1cc(CNc2cccc(C[N@H+]3CCNC(=O)C3)c2)ccc1C#N ZINC000291096572 552586357 /nfs/dbraw/zinc/58/63/57/552586357.db2.gz QJHBTGDGUORONO-UHFFFAOYSA-N 1 2 350.422 2.111 20 30 FEEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC000292028261 552686309 /nfs/dbraw/zinc/68/63/09/552686309.db2.gz YTWHPTACLWGJQV-GFCCVEGCSA-N 1 2 355.410 2.190 20 30 FEEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC000292028261 552686310 /nfs/dbraw/zinc/68/63/10/552686310.db2.gz YTWHPTACLWGJQV-GFCCVEGCSA-N 1 2 355.410 2.190 20 30 FEEDLO CCOC(=O)c1cc(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)[nH]c1C ZINC000294509658 552911729 /nfs/dbraw/zinc/91/17/29/552911729.db2.gz CTXITVQTFVIBCM-UHFFFAOYSA-N 1 2 353.426 2.089 20 30 FEEDLO C=CCn1c([C@@H]2CCCCO2)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC000295799218 553060690 /nfs/dbraw/zinc/06/06/90/553060690.db2.gz AAAOGYQJBXICKK-KRWDZBQOSA-N 1 2 372.473 2.324 20 30 FEEDLO C=CCn1c([C@@H]2CC[C@H](C)O2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000295884290 553071228 /nfs/dbraw/zinc/07/12/28/553071228.db2.gz HIVUCPSSBAKCLW-HOTGVXAUSA-N 1 2 354.458 2.426 20 30 FEEDLO COc1cc(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)ccc1C#N ZINC000296060323 553098097 /nfs/dbraw/zinc/09/80/97/553098097.db2.gz QHKKRDMXKWKPTO-UHFFFAOYSA-N 1 2 353.382 2.192 20 30 FEEDLO CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000502650326 561622791 /nfs/dbraw/zinc/62/27/91/561622791.db2.gz GCSIWRUTVNGWCG-IBGZPJMESA-N 1 2 356.426 2.255 20 30 FEEDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1(C)C ZINC000296460963 553163907 /nfs/dbraw/zinc/16/39/07/553163907.db2.gz ZUIJCXWCEYPLRG-AWEZNQCLSA-N 1 2 371.828 2.493 20 30 FEEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](C)C(=O)Nc2ccc(-c3c[nH]cn3)cc2)C1=O ZINC000503270464 561638371 /nfs/dbraw/zinc/63/83/71/561638371.db2.gz KKRMWUIRGASROA-KBXCAEBGSA-N 1 2 367.453 2.122 20 30 FEEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H](C)C(=O)Nc2ccc(-c3c[nH]cn3)cc2)C1=O ZINC000503270464 561638372 /nfs/dbraw/zinc/63/83/72/561638372.db2.gz KKRMWUIRGASROA-KBXCAEBGSA-N 1 2 367.453 2.122 20 30 FEEDLO C=CC1CCN(C(=O)c2ccccc2S(=O)(=O)CC[NH+](C)C)CC1 ZINC000503310349 561639204 /nfs/dbraw/zinc/63/92/04/561639204.db2.gz BMPZZQXIPBHUNN-UHFFFAOYSA-N 1 2 350.484 2.060 20 30 FEEDLO C[C@@H](O)CNc1cc(N2CCC(Oc3ccc(C#N)cc3)CC2)nc[nH+]1 ZINC000298145627 553389987 /nfs/dbraw/zinc/38/99/87/553389987.db2.gz DBAJGJLJNLOCEF-CQSZACIVSA-N 1 2 353.426 2.189 20 30 FEEDLO C[C@@H](O)CNc1cc(N2CCC(Oc3ccc(C#N)cc3)CC2)[nH+]cn1 ZINC000298145627 553389989 /nfs/dbraw/zinc/38/99/89/553389989.db2.gz DBAJGJLJNLOCEF-CQSZACIVSA-N 1 2 353.426 2.189 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cc(-c4ccco4)n[nH]3)CC2)cc1 ZINC000298249223 553403523 /nfs/dbraw/zinc/40/35/23/553403523.db2.gz ZYOLBZXXPLDKSV-UHFFFAOYSA-N 1 2 361.405 2.499 20 30 FEEDLO CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000503422687 561641042 /nfs/dbraw/zinc/64/10/42/561641042.db2.gz RBOOCAKNJGKETD-HNAYVOBHSA-N 1 2 359.426 2.323 20 30 FEEDLO C#CCOc1cccc(NC(=O)N[C@H](c2[nH+]ccn2C)C(C)(C)CO)c1 ZINC000298299080 553409400 /nfs/dbraw/zinc/40/94/00/553409400.db2.gz HLRBDDQZVWXURF-MRXNPFEDSA-N 1 2 356.426 2.313 20 30 FEEDLO Cc1cc(NC(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)ncc1C#N ZINC000603119459 553712457 /nfs/dbraw/zinc/71/24/57/553712457.db2.gz YFITWNKIGQFAMX-GOSISDBHSA-N 1 2 365.437 2.457 20 30 FEEDLO Cc1oc(NC(=O)[C@H](C)[N@H+](C)Cc2cnc(N(C)C)nc2)c(C#N)c1C ZINC000505488553 561671989 /nfs/dbraw/zinc/67/19/89/561671989.db2.gz NVOQTYRMGFUMEB-LBPRGKRZSA-N 1 2 356.430 2.083 20 30 FEEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+](C)Cc2cnc(N(C)C)nc2)c(C#N)c1C ZINC000505488553 561671990 /nfs/dbraw/zinc/67/19/90/561671990.db2.gz NVOQTYRMGFUMEB-LBPRGKRZSA-N 1 2 356.430 2.083 20 30 FEEDLO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCN(C3CC3)C(=O)C1)CCC2 ZINC000328657653 553803631 /nfs/dbraw/zinc/80/36/31/553803631.db2.gz PLMFRFUEBFODND-UHFFFAOYSA-N 1 2 358.467 2.393 20 30 FEEDLO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCN(C3CC3)C(=O)C1)CCC2 ZINC000328657653 553803632 /nfs/dbraw/zinc/80/36/32/553803632.db2.gz PLMFRFUEBFODND-UHFFFAOYSA-N 1 2 358.467 2.393 20 30 FEEDLO Cc1nc2c(cccc2C(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)[nH]1 ZINC000328683792 553806849 /nfs/dbraw/zinc/80/68/49/553806849.db2.gz DQQLGOUGRYUQCN-UHFFFAOYSA-N 1 2 369.469 2.120 20 30 FEEDLO Cn1cc[nH+]c1[C@H]1CN(C(=O)NC[C@@H]2CCCC(F)(F)C2)CCN1C ZINC000328683359 553806858 /nfs/dbraw/zinc/80/68/58/553806858.db2.gz WEWKVQHHCSYICA-ZIAGYGMSSA-N 1 2 355.433 2.448 20 30 FEEDLO Cc1cc(NC(=O)N2C[C@@H]3COC[C@H](C2)O3)c[nH+]c1N1CCCC[C@@H]1C ZINC000328741496 553815586 /nfs/dbraw/zinc/81/55/86/553815586.db2.gz MJGKYSWMYKSHLG-BHYGNILZSA-N 1 2 360.458 2.414 20 30 FEEDLO CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)NC[C@H](C)[NH+]1CCN(C)CC1 ZINC000328782058 553821408 /nfs/dbraw/zinc/82/14/08/553821408.db2.gz NAMJSTAEOQMWIC-JXFKEZNVSA-N 1 2 372.513 2.115 20 30 FEEDLO C[C@@H]1C(=O)NCCN1C(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000328797698 553823252 /nfs/dbraw/zinc/82/32/52/553823252.db2.gz WAGDORFJKYZPJJ-IUODEOHRSA-N 1 2 361.446 2.045 20 30 FEEDLO C[C@@H]1C(=O)NCCN1C(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000328797698 553823253 /nfs/dbraw/zinc/82/32/53/553823253.db2.gz WAGDORFJKYZPJJ-IUODEOHRSA-N 1 2 361.446 2.045 20 30 FEEDLO COC1(c2nc(C3CCOCC3)no2)CC[NH+](CC(=O)NC2CC2)CC1 ZINC000328847202 553831814 /nfs/dbraw/zinc/83/18/14/553831814.db2.gz XZLUVDQREXSERQ-UHFFFAOYSA-N 1 2 364.446 2.020 20 30 FEEDLO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CC12CCS(=O)(=O)CC2 ZINC000328890598 553839545 /nfs/dbraw/zinc/83/95/45/553839545.db2.gz RTPPEIMLBBACES-IAGOWNOFSA-N 1 2 362.495 2.432 20 30 FEEDLO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CC12CCS(=O)(=O)CC2 ZINC000328890598 553839547 /nfs/dbraw/zinc/83/95/47/553839547.db2.gz RTPPEIMLBBACES-IAGOWNOFSA-N 1 2 362.495 2.432 20 30 FEEDLO N#Cc1cc(F)cc(C2(C(=O)N3CC[NH+](Cc4ccccn4)CC3)CC2)c1 ZINC000505893484 561684433 /nfs/dbraw/zinc/68/44/33/561684433.db2.gz GSGOELROQAXPEQ-UHFFFAOYSA-N 1 2 364.424 2.468 20 30 FEEDLO O=C(NCC[NH+]1CCN(C(=O)C2CCC2)CC1)[C@H]1OCCc2ccccc21 ZINC000328957223 553852946 /nfs/dbraw/zinc/85/29/46/553852946.db2.gz ZNCHXVYFFIHFDR-IBGZPJMESA-N 1 2 371.481 2.201 20 30 FEEDLO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(Cc2nnc3n2CCCC3)CC1 ZINC000328976358 553856996 /nfs/dbraw/zinc/85/69/96/553856996.db2.gz BQGIAPTYGVFUIE-HNNXBMFYSA-N 1 2 360.506 2.020 20 30 FEEDLO CCc1c(NC(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)cnn1-c1ccccc1 ZINC000329041050 553869790 /nfs/dbraw/zinc/86/97/90/553869790.db2.gz OIQDUWPOSLIAQX-RTBURBONSA-N 1 2 369.469 2.385 20 30 FEEDLO CCc1c(NC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)cnn1-c1ccccc1 ZINC000329041050 553869792 /nfs/dbraw/zinc/86/97/92/553869792.db2.gz OIQDUWPOSLIAQX-RTBURBONSA-N 1 2 369.469 2.385 20 30 FEEDLO CO[C@@H]1CCC[C@@H]1[C@H]1COCCN1C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000329117987 553883868 /nfs/dbraw/zinc/88/38/68/553883868.db2.gz JFZDNQOCDWDDGH-BRWVUGGUSA-N 1 2 362.474 2.149 20 30 FEEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)Nc1cc3n(n1)CCCC3)C2 ZINC000329228661 553907152 /nfs/dbraw/zinc/90/71/52/553907152.db2.gz BYMIKMMSYWNVNC-ZDUSSCGKSA-N 1 2 356.474 3.054 20 30 FEEDLO C[C@H](NC(=O)N[C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1)c1nnc2n1CCC2 ZINC000329244162 553909815 /nfs/dbraw/zinc/90/98/15/553909815.db2.gz UGXZZKQIUCEVKB-STQMWFEESA-N 1 2 371.489 2.298 20 30 FEEDLO CN(CC(=O)NCc1cccs1)C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000329269759 553914388 /nfs/dbraw/zinc/91/43/88/553914388.db2.gz GZRUZKBAHDSLSD-INIZCTEOSA-N 1 2 365.499 2.306 20 30 FEEDLO CN(CC(=O)NCc1cccs1)C(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000329269759 553914389 /nfs/dbraw/zinc/91/43/89/553914389.db2.gz GZRUZKBAHDSLSD-INIZCTEOSA-N 1 2 365.499 2.306 20 30 FEEDLO Cc1nc(C[N@@H+]2CCCN(C(=O)NC[C@@H]3CCCCO3)CC2)cs1 ZINC000329338348 553928064 /nfs/dbraw/zinc/92/80/64/553928064.db2.gz QJWAXLDFYGASSR-INIZCTEOSA-N 1 2 352.504 2.442 20 30 FEEDLO Cc1nc(C[N@H+]2CCCN(C(=O)NC[C@@H]3CCCCO3)CC2)cs1 ZINC000329338348 553928066 /nfs/dbraw/zinc/92/80/66/553928066.db2.gz QJWAXLDFYGASSR-INIZCTEOSA-N 1 2 352.504 2.442 20 30 FEEDLO Cn1cc[nH+]c1[C@H](NC(=O)N1CCC[C@@](C)(O)CC1)C1CCOCC1 ZINC000329341712 553928843 /nfs/dbraw/zinc/92/88/43/553928843.db2.gz PCBYENAPNMEJRQ-CRAIPNDOSA-N 1 2 350.463 2.039 20 30 FEEDLO CCc1cc(N2CCC[C@@H](NC(=O)C3([NH+]4CCOCC4)CCC3)C2)ncn1 ZINC000329351743 553929969 /nfs/dbraw/zinc/92/99/69/553929969.db2.gz XGNCZLDJRRHQCB-QGZVFWFLSA-N 1 2 373.501 2.219 20 30 FEEDLO CCO[C@@H]1C[C@H](NC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)[C@@]12CCCO2 ZINC000329374130 553934420 /nfs/dbraw/zinc/93/44/20/553934420.db2.gz KCXNHVBTSRUQRN-BMFAXAFESA-N 1 2 352.475 2.313 20 30 FEEDLO CCO[C@@H]1C[C@H](NC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)[C@@]12CCCO2 ZINC000329374130 553934423 /nfs/dbraw/zinc/93/44/23/553934423.db2.gz KCXNHVBTSRUQRN-BMFAXAFESA-N 1 2 352.475 2.313 20 30 FEEDLO CCn1cc[nH+]c1[C@H](NC(=O)N1CC[C@@H](O)C(C)(C)C1)C1CCOCC1 ZINC000329401944 553939745 /nfs/dbraw/zinc/93/97/45/553939745.db2.gz YIWSOESLKNECID-HZPDHXFCSA-N 1 2 364.490 2.378 20 30 FEEDLO CCn1cc[nH+]c1[C@H](NC(=O)N1CC[C@H](O)C(C)(C)C1)C1CCOCC1 ZINC000329401945 553939949 /nfs/dbraw/zinc/93/99/49/553939949.db2.gz YIWSOESLKNECID-JKSUJKDBSA-N 1 2 364.490 2.378 20 30 FEEDLO Cc1nnc([C@@H]2CCC[N@@H+]([C@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)[nH]1 ZINC000329427959 553944418 /nfs/dbraw/zinc/94/44/18/553944418.db2.gz JKFHRPQIKCKKPM-AEFFLSMTSA-N 1 2 364.453 2.360 20 30 FEEDLO Cc1nnc([C@@H]2CCC[N@H+]([C@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)[nH]1 ZINC000329427959 553944420 /nfs/dbraw/zinc/94/44/20/553944420.db2.gz JKFHRPQIKCKKPM-AEFFLSMTSA-N 1 2 364.453 2.360 20 30 FEEDLO Cc1nc([C@@H]2CCC[N@H+]([C@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)n[nH]1 ZINC000329427959 553944428 /nfs/dbraw/zinc/94/44/28/553944428.db2.gz JKFHRPQIKCKKPM-AEFFLSMTSA-N 1 2 364.453 2.360 20 30 FEEDLO C[C@H](C(=O)NC1CCCC1)N1CC[NH+](Cc2c[nH]c3nccnc23)CC1 ZINC000329444601 553948811 /nfs/dbraw/zinc/94/88/11/553948811.db2.gz BDAAPYBFBIRLON-CQSZACIVSA-N 1 2 356.474 2.315 20 30 FEEDLO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(Cc2c[nH]c3nccnc23)CC1 ZINC000329444601 553948812 /nfs/dbraw/zinc/94/88/12/553948812.db2.gz BDAAPYBFBIRLON-CQSZACIVSA-N 1 2 356.474 2.315 20 30 FEEDLO COc1cc2nc(C)sc2cc1NC(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000329502926 553958843 /nfs/dbraw/zinc/95/88/43/553958843.db2.gz IARFHZTVOYEYSQ-DZGCQCFKSA-N 1 2 362.455 2.174 20 30 FEEDLO COc1cc2nc(C)sc2cc1NC(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000329502926 553958845 /nfs/dbraw/zinc/95/88/45/553958845.db2.gz IARFHZTVOYEYSQ-DZGCQCFKSA-N 1 2 362.455 2.174 20 30 FEEDLO O=C(NC[C@@H]1CCCn2cc[nH+]c21)N1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000329523376 553961575 /nfs/dbraw/zinc/96/15/75/553961575.db2.gz GMUPDTWESRDEHW-RWMBFGLXSA-N 1 2 360.380 2.167 20 30 FEEDLO Cn1cc[nH+]c1CN1CCN(CC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 ZINC000329530557 553962908 /nfs/dbraw/zinc/96/29/08/553962908.db2.gz IUWTXGDVQOHOBL-UHFFFAOYSA-N 1 2 371.529 2.463 20 30 FEEDLO Cc1cccc(NC(=O)NC(=O)C[N@H+](C)C[C@H]2CCS(=O)(=O)C2)c1C ZINC000329578068 553970935 /nfs/dbraw/zinc/97/09/35/553970935.db2.gz OVSAGAYRBSYEBO-CQSZACIVSA-N 1 2 367.471 2.172 20 30 FEEDLO Cc1cccc(NC(=O)NC(=O)C[N@@H+](C)C[C@H]2CCS(=O)(=O)C2)c1C ZINC000329578068 553970936 /nfs/dbraw/zinc/97/09/36/553970936.db2.gz OVSAGAYRBSYEBO-CQSZACIVSA-N 1 2 367.471 2.172 20 30 FEEDLO Cc1cccc2c1OC[C@H](NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1)C2 ZINC000329605564 553975366 /nfs/dbraw/zinc/97/53/66/553975366.db2.gz HMJSHKPOZKMDKE-MSOLQXFVSA-N 1 2 359.470 2.009 20 30 FEEDLO C[N@@H+]1CCO[C@H](CNC(=O)Nc2cc(F)ccc2OC[C@@H]2CCCO2)C1 ZINC000329620117 553977870 /nfs/dbraw/zinc/97/78/70/553977870.db2.gz UAQNFPZFQXLJBR-LSDHHAIUSA-N 1 2 367.421 2.040 20 30 FEEDLO C[N@H+]1CCO[C@H](CNC(=O)Nc2cc(F)ccc2OC[C@@H]2CCCO2)C1 ZINC000329620117 553977872 /nfs/dbraw/zinc/97/78/72/553977872.db2.gz UAQNFPZFQXLJBR-LSDHHAIUSA-N 1 2 367.421 2.040 20 30 FEEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N[C@@H]1CS(=O)(=O)c3ccccc31)CCC2 ZINC000329643749 553981612 /nfs/dbraw/zinc/98/16/12/553981612.db2.gz IHKSIBWHJUQCKP-DZGCQCFKSA-N 1 2 374.466 2.101 20 30 FEEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CCOCC3(CCOCC3)C1)CCC2 ZINC000329767226 554002167 /nfs/dbraw/zinc/00/21/67/554002167.db2.gz ZEUXNAQBNGUHRD-INIZCTEOSA-N 1 2 362.474 2.112 20 30 FEEDLO Cc1cc(C[N@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)N[C@H](C)[C@H]2CCOC2)on1 ZINC000329799477 554007984 /nfs/dbraw/zinc/00/79/84/554007984.db2.gz HNTXHYSDJFEFNK-UGUYLWEFSA-N 1 2 368.453 2.166 20 30 FEEDLO Cc1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)N[C@H](C)[C@H]2CCOC2)on1 ZINC000329799477 554007986 /nfs/dbraw/zinc/00/79/86/554007986.db2.gz HNTXHYSDJFEFNK-UGUYLWEFSA-N 1 2 368.453 2.166 20 30 FEEDLO O=C(NCc1cccc(-n2ccnc2)c1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000329800322 554008189 /nfs/dbraw/zinc/00/81/89/554008189.db2.gz IJFNVKFJOZURSB-IBGZPJMESA-N 1 2 369.469 2.083 20 30 FEEDLO C[C@@H](C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000329815064 554010921 /nfs/dbraw/zinc/01/09/21/554010921.db2.gz DJTQZVRJPIGUKR-FPMFFAJLSA-N 1 2 361.398 2.212 20 30 FEEDLO C[C@@H](C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000329815064 554010923 /nfs/dbraw/zinc/01/09/23/554010923.db2.gz DJTQZVRJPIGUKR-FPMFFAJLSA-N 1 2 361.398 2.212 20 30 FEEDLO CC(C)O[C@@H]1C[C@H](NC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)C1(C)C ZINC000329868776 554022071 /nfs/dbraw/zinc/02/20/71/554022071.db2.gz XVQKMKPRANGWPF-IXDOHACOSA-N 1 2 353.507 2.289 20 30 FEEDLO CC1CCC(N2C[C@@H](C(=O)NCC3([NH+]4CCOCC4)CC3)CC2=O)CC1 ZINC000329903504 554028543 /nfs/dbraw/zinc/02/85/43/554028543.db2.gz QFYZTWVMIJBBOZ-CGZBRXJRSA-N 1 2 363.502 2.235 20 30 FEEDLO COc1cc(Cl)c(C)cc1NC(=O)CN1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000329910628 554029400 /nfs/dbraw/zinc/02/94/00/554029400.db2.gz AAZIOEQHERXWHO-HOCLYGCPSA-N 1 2 353.850 2.260 20 30 FEEDLO COc1cc(Cl)c(C)cc1NC(=O)CN1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000329910628 554029402 /nfs/dbraw/zinc/02/94/02/554029402.db2.gz AAZIOEQHERXWHO-HOCLYGCPSA-N 1 2 353.850 2.260 20 30 FEEDLO CC(C)(C)C(=O)N1CCC[C@H](C(=O)NCC2([NH+]3CCOCC3)CC2)C1 ZINC000329910151 554029724 /nfs/dbraw/zinc/02/97/24/554029724.db2.gz VQHNLHXPMGYOTF-HNNXBMFYSA-N 1 2 351.491 2.092 20 30 FEEDLO Cc1ncsc1C[N@H+]1C[C@@H](F)C[C@H]1CN(C)C(=O)NCC1(C)COC1 ZINC000329934285 554034716 /nfs/dbraw/zinc/03/47/16/554034716.db2.gz JSPMXDHCWJLAAE-KBPBESRZSA-N 1 2 370.494 2.246 20 30 FEEDLO Cc1ncsc1C[N@@H+]1C[C@@H](F)C[C@H]1CN(C)C(=O)NCC1(C)COC1 ZINC000329934285 554034721 /nfs/dbraw/zinc/03/47/21/554034721.db2.gz JSPMXDHCWJLAAE-KBPBESRZSA-N 1 2 370.494 2.246 20 30 FEEDLO COc1cccc(C[C@H](C)NC(=O)N2CCN(C)[C@H](c3[nH+]ccn3C)C2)c1 ZINC000329946267 554036578 /nfs/dbraw/zinc/03/65/78/554036578.db2.gz GHFAEXUVLPEZMD-YJBOKZPZSA-N 1 2 371.485 2.262 20 30 FEEDLO Cc1c2ccccc2n(C)c1CNC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000329949803 554037503 /nfs/dbraw/zinc/03/75/03/554037503.db2.gz MBTDSNILSWBVFT-UHFFFAOYSA-N 1 2 356.470 2.355 20 30 FEEDLO Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNC(=O)CN1CCCCC1=O ZINC000329970825 554041790 /nfs/dbraw/zinc/04/17/90/554041790.db2.gz YBIHHVJPUAADOO-GJZGRUSLSA-N 1 2 366.437 2.173 20 30 FEEDLO Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNC(=O)CN1CCCCC1=O ZINC000329970825 554041794 /nfs/dbraw/zinc/04/17/94/554041794.db2.gz YBIHHVJPUAADOO-GJZGRUSLSA-N 1 2 366.437 2.173 20 30 FEEDLO CC[C@@H]1C[C@@H](C(=O)NC[C@@H]2C[C@H](F)C[N@@H+]2Cc2cnn(C)c2)CC(=O)N1 ZINC000329979680 554042733 /nfs/dbraw/zinc/04/27/33/554042733.db2.gz KBKTVZUSKQAMQV-QXSJWSMHSA-N 1 2 365.453 2.434 20 30 FEEDLO CC[C@@H]1C[C@@H](C(=O)NC[C@@H]2C[C@H](F)C[N@H+]2Cc2cnn(C)c2)CC(=O)N1 ZINC000329979680 554042735 /nfs/dbraw/zinc/04/27/35/554042735.db2.gz KBKTVZUSKQAMQV-QXSJWSMHSA-N 1 2 365.453 2.434 20 30 FEEDLO CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000330029311 554051806 /nfs/dbraw/zinc/05/18/06/554051806.db2.gz PUBOQMMLLNQKEP-OAHLLOKOSA-N 1 2 364.471 2.385 20 30 FEEDLO C[C@@H](CNC(=O)c1ccccc1C[NH+]1CCOCC1)N1CCCCC1=O ZINC000330083026 554061900 /nfs/dbraw/zinc/06/19/00/554061900.db2.gz KNKOPXNIGACODU-INIZCTEOSA-N 1 2 359.470 2.224 20 30 FEEDLO CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2c(C)nn(C)c2C)C[C@]2(CCOC2)O1 ZINC000330089428 554062748 /nfs/dbraw/zinc/06/27/48/554062748.db2.gz VUWDYPGBYVWNEA-DAYGRLMNSA-N 1 2 350.463 2.283 20 30 FEEDLO CC[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2c(C)nn(C)c2C)C[C@]2(CCOC2)O1 ZINC000330089428 554062750 /nfs/dbraw/zinc/06/27/50/554062750.db2.gz VUWDYPGBYVWNEA-DAYGRLMNSA-N 1 2 350.463 2.283 20 30 FEEDLO C[N@@H+]1CCO[C@H](CNC(=O)N[C@H]2CC(C)(C)Oc3cc(F)ccc32)C1 ZINC000330092837 554063318 /nfs/dbraw/zinc/06/33/18/554063318.db2.gz ZCBJOILSMBHSNS-HIFRSBDPSA-N 1 2 351.422 2.262 20 30 FEEDLO C[N@H+]1CCO[C@H](CNC(=O)N[C@H]2CC(C)(C)Oc3cc(F)ccc32)C1 ZINC000330092837 554063320 /nfs/dbraw/zinc/06/33/20/554063320.db2.gz ZCBJOILSMBHSNS-HIFRSBDPSA-N 1 2 351.422 2.262 20 30 FEEDLO C[C@@H]1C[N@H+](CC(=O)NCCc2c(F)cccc2F)C[C@@]2(CCOC2)O1 ZINC000330150786 554074735 /nfs/dbraw/zinc/07/47/35/554074735.db2.gz LAZFCFAZTCOITE-FZKQIMNGSA-N 1 2 354.397 2.344 20 30 FEEDLO C[C@@H]1C[N@@H+](CC(=O)NCCc2c(F)cccc2F)C[C@@]2(CCOC2)O1 ZINC000330150786 554074741 /nfs/dbraw/zinc/07/47/41/554074741.db2.gz LAZFCFAZTCOITE-FZKQIMNGSA-N 1 2 354.397 2.344 20 30 FEEDLO Cc1ccn2cc(CNC(=O)N[C@H]3CCOC4(CCOCC4)C3)[nH+]c2c1 ZINC000330203360 554084237 /nfs/dbraw/zinc/08/42/37/554084237.db2.gz ASCAUQCWMDDEID-HNNXBMFYSA-N 1 2 358.442 2.375 20 30 FEEDLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)N[C@@H]2CCOC3(CCCC3)C2)CC1 ZINC000330223101 554087882 /nfs/dbraw/zinc/08/78/82/554087882.db2.gz MWEMEEWRJLPULW-CQSZACIVSA-N 1 2 352.479 2.324 20 30 FEEDLO C[C@@H]1CN(c2ccc(C(=O)N[C@@H]3CCn4cc[nH+]c4C3)cn2)C[C@@H](C)O1 ZINC000330230270 554089396 /nfs/dbraw/zinc/08/93/96/554089396.db2.gz DJODJKMPGDTBLK-IIAWOOMASA-N 1 2 355.442 2.211 20 30 FEEDLO Cc1[nH+]ccn1C[C@H](C)C[NH+]=C([O-])N1C[C@H](C)O[C@@]2(CCCOC2)C1 ZINC000330276439 554097745 /nfs/dbraw/zinc/09/77/45/554097745.db2.gz MXCQXNRUUKASBS-VKJFTORMSA-N 1 2 350.463 2.012 20 30 FEEDLO Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)CN2C(=O)COc3ccccc32)CCO1 ZINC000330338274 554107945 /nfs/dbraw/zinc/10/79/45/554107945.db2.gz VECPYOUNZKLXHE-GUYCJALGSA-N 1 2 370.409 2.022 20 30 FEEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)c2ccccc2N2CCOCC2)CCO1 ZINC000330338897 554108022 /nfs/dbraw/zinc/10/80/22/554108022.db2.gz VZTYQZXAEQMHCZ-BEFAXECRSA-N 1 2 370.453 2.482 20 30 FEEDLO CN1CC[N@H+](C)[C@H](CNC(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000330552856 554137348 /nfs/dbraw/zinc/13/73/48/554137348.db2.gz CLBHNGXMHNVBNW-CQSZACIVSA-N 1 2 363.462 2.464 20 30 FEEDLO CN1CC[N@@H+](C)[C@H](CNC(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000330552856 554137350 /nfs/dbraw/zinc/13/73/50/554137350.db2.gz CLBHNGXMHNVBNW-CQSZACIVSA-N 1 2 363.462 2.464 20 30 FEEDLO Cc1ccc(NC(=O)NC(=O)C[N@@H+]2CCC[C@@](O)(C(F)(F)F)C2)c(C)c1 ZINC000330801213 554173500 /nfs/dbraw/zinc/17/35/00/554173500.db2.gz GRDBLPIOKUPQOE-INIZCTEOSA-N 1 2 373.375 2.354 20 30 FEEDLO Cc1ccc(NC(=O)NC(=O)C[N@H+]2CCC[C@@](O)(C(F)(F)F)C2)c(C)c1 ZINC000330801213 554173501 /nfs/dbraw/zinc/17/35/01/554173501.db2.gz GRDBLPIOKUPQOE-INIZCTEOSA-N 1 2 373.375 2.354 20 30 FEEDLO C[C@@H]1C[NH+](C(C)(C)CNC(=O)c2cc(O)ccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000330975003 554196301 /nfs/dbraw/zinc/19/63/01/554196301.db2.gz SZGXKDYRSAHRNB-VXGBXAGGSA-N 1 2 351.403 2.493 20 30 FEEDLO C[C@H]1C[NH+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H](C)S1=O ZINC000331153564 554222508 /nfs/dbraw/zinc/22/25/08/554222508.db2.gz IOLMIHPNDAOLKZ-RYUDHWBXSA-N 1 2 353.875 2.382 20 30 FEEDLO C=CC[C@@H]1[N@H+](CC(=O)N(CC)[C@H]2CCS(=O)(=O)C2)CCCC1(C)C ZINC000331308365 554245442 /nfs/dbraw/zinc/24/54/42/554245442.db2.gz XEBZTELNTQVPJS-HOTGVXAUSA-N 1 2 356.532 2.089 20 30 FEEDLO C=CC[C@@H]1[N@@H+](CC(=O)N(CC)[C@H]2CCS(=O)(=O)C2)CCCC1(C)C ZINC000331308365 554245446 /nfs/dbraw/zinc/24/54/46/554245446.db2.gz XEBZTELNTQVPJS-HOTGVXAUSA-N 1 2 356.532 2.089 20 30 FEEDLO C=CCn1c(Cc2ccccc2C)nnc1N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000508889773 561777111 /nfs/dbraw/zinc/77/71/11/561777111.db2.gz VDBUNJGBFMQOJQ-IBGZPJMESA-N 1 2 367.497 2.274 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCN(c2nc3ccccc3o2)CC1 ZINC000331429234 554262674 /nfs/dbraw/zinc/26/26/74/554262674.db2.gz AQILQIXIVVYNLY-QRWLVFNGSA-N 1 2 369.469 2.393 20 30 FEEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH2+]C2(C(F)F)CCCCC2)CC1 ZINC000510077792 561824139 /nfs/dbraw/zinc/82/41/39/561824139.db2.gz CWPKEUPCFZKARM-OAHLLOKOSA-N 1 2 356.461 2.236 20 30 FEEDLO COc1cc(C#N)ccc1S(=O)(=O)N1CC([N@H+](C)Cc2ccccc2)C1 ZINC000510515838 561837385 /nfs/dbraw/zinc/83/73/85/561837385.db2.gz AAWAEKRPZXJHTO-UHFFFAOYSA-N 1 2 371.462 2.072 20 30 FEEDLO COc1cc(C#N)ccc1S(=O)(=O)N1CC([N@@H+](C)Cc2ccccc2)C1 ZINC000510515838 561837386 /nfs/dbraw/zinc/83/73/86/561837386.db2.gz AAWAEKRPZXJHTO-UHFFFAOYSA-N 1 2 371.462 2.072 20 30 FEEDLO CC[N@@H+]1CCN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)[C@@H](C)C1 ZINC000511219772 561861745 /nfs/dbraw/zinc/86/17/45/561861745.db2.gz GEKMBXMSDIDBAP-NSHDSACASA-N 1 2 361.389 2.292 20 30 FEEDLO CC[N@H+]1CCN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)[C@@H](C)C1 ZINC000511219772 561861746 /nfs/dbraw/zinc/86/17/46/561861746.db2.gz GEKMBXMSDIDBAP-NSHDSACASA-N 1 2 361.389 2.292 20 30 FEEDLO CC[N@@H+](CC(=O)N1CCC(C(=O)N2CCCCCC2)CC1)C[C@@H](C)C#N ZINC000360292308 554869911 /nfs/dbraw/zinc/86/99/11/554869911.db2.gz PXFUVYBXWTXAGK-KRWDZBQOSA-N 1 2 362.518 2.109 20 30 FEEDLO CC[N@H+](CC(=O)N1CCC(C(=O)N2CCCCCC2)CC1)C[C@@H](C)C#N ZINC000360292308 554869913 /nfs/dbraw/zinc/86/99/13/554869913.db2.gz PXFUVYBXWTXAGK-KRWDZBQOSA-N 1 2 362.518 2.109 20 30 FEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ccc(-n4cnnc4)cc3)CC2)cc1 ZINC000511783936 561880466 /nfs/dbraw/zinc/88/04/66/561880466.db2.gz IZCCPNYHSNIQMT-UHFFFAOYSA-N 1 2 372.432 2.097 20 30 FEEDLO N#CCC[C@@H](C#N)C[NH+]1CCC(C(=O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000363521027 555126376 /nfs/dbraw/zinc/12/63/76/555126376.db2.gz GDUSLUJQAIRAKP-AWEZNQCLSA-N 1 2 366.421 2.356 20 30 FEEDLO C=C(C)C[N@H+](CC(=O)NCc1ccc(C#N)cc1)Cc1ccc(CO)o1 ZINC000512187932 561895418 /nfs/dbraw/zinc/89/54/18/561895418.db2.gz TZKFPQJEEAIKTF-UHFFFAOYSA-N 1 2 353.422 2.338 20 30 FEEDLO C=C(C)C[N@@H+](CC(=O)NCc1ccc(C#N)cc1)Cc1ccc(CO)o1 ZINC000512187932 561895419 /nfs/dbraw/zinc/89/54/19/561895419.db2.gz TZKFPQJEEAIKTF-UHFFFAOYSA-N 1 2 353.422 2.338 20 30 FEEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CC(Oc3ccc(C#N)cc3)C1)CCC2 ZINC000364042453 555238991 /nfs/dbraw/zinc/23/89/91/555238991.db2.gz FBFHUWMFPWORGU-INIZCTEOSA-N 1 2 365.437 2.413 20 30 FEEDLO CCCC[C@@H](ON=C(C)C)C(=O)N1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000364922865 555438789 /nfs/dbraw/zinc/43/87/89/555438789.db2.gz WOCOFWZMYZIVDB-RTBURBONSA-N 1 2 366.550 2.444 20 30 FEEDLO CCCC[C@H](ON=C(C)C)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000364936197 555442916 /nfs/dbraw/zinc/44/29/16/555442916.db2.gz FPHXSMCVCLHOKZ-KRWDZBQOSA-N 1 2 365.478 2.125 20 30 FEEDLO CC(C)(C)OC(=O)C[NH2+][C@@]1(C)CCN(C(=O)NCC(C)(C)CCC#N)C1 ZINC000513113390 561925838 /nfs/dbraw/zinc/92/58/38/561925838.db2.gz NHFBOVCEDQNUSP-IBGZPJMESA-N 1 2 366.506 2.422 20 30 FEEDLO CC(C)[N@H+](CC(=O)NCc1cccc(C#N)c1)CC(=O)N1CCCCCC1 ZINC000513233470 561930503 /nfs/dbraw/zinc/93/05/03/561930503.db2.gz XUVHGDXPWFEZBG-UHFFFAOYSA-N 1 2 370.497 2.287 20 30 FEEDLO CC(C)[N@@H+](CC(=O)NCc1cccc(C#N)c1)CC(=O)N1CCCCCC1 ZINC000513233470 561930504 /nfs/dbraw/zinc/93/05/04/561930504.db2.gz XUVHGDXPWFEZBG-UHFFFAOYSA-N 1 2 370.497 2.287 20 30 FEEDLO N#Cc1cccc(CCNC(=O)NCc2[nH+]ccn2CC(F)(F)F)c1 ZINC000513408987 561937285 /nfs/dbraw/zinc/93/72/85/561937285.db2.gz RGSCTYMRMHJTCI-UHFFFAOYSA-N 1 2 351.332 2.359 20 30 FEEDLO N#CCCn1cc(CNc2ccc(-n3cncn3)c[nH+]2)c(-c2ccncc2)n1 ZINC000618947000 555700838 /nfs/dbraw/zinc/70/08/38/555700838.db2.gz OIPXBNOFKDKKFR-UHFFFAOYSA-N 1 2 371.408 2.447 20 30 FEEDLO C#CCn1ccc(C[N@@H+](CC)[C@H](C)C(=O)N2CCc3sccc3C2)n1 ZINC000366104549 555752791 /nfs/dbraw/zinc/75/27/91/555752791.db2.gz PVYFNSZGNPAPPB-OAHLLOKOSA-N 1 2 356.495 2.373 20 30 FEEDLO C#CCn1ccc(C[N@H+](CC)[C@H](C)C(=O)N2CCc3sccc3C2)n1 ZINC000366104549 555752797 /nfs/dbraw/zinc/75/27/97/555752797.db2.gz PVYFNSZGNPAPPB-OAHLLOKOSA-N 1 2 356.495 2.373 20 30 FEEDLO C[C@H](C(=O)Nc1ccc(Cl)cn1)[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000366357995 555820802 /nfs/dbraw/zinc/82/08/02/555820802.db2.gz XRPGESLGBLNVDA-DOMZBBRYSA-N 1 2 371.828 2.482 20 30 FEEDLO C[C@H](C(=O)Nc1ccc(Cl)cn1)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000366357995 555820803 /nfs/dbraw/zinc/82/08/03/555820803.db2.gz XRPGESLGBLNVDA-DOMZBBRYSA-N 1 2 371.828 2.482 20 30 FEEDLO N#CCCn1cc(C[N@@H+]2CCO[C@H]3CCOC[C@H]32)c(-c2ccccc2)n1 ZINC000366487246 555858131 /nfs/dbraw/zinc/85/81/31/555858131.db2.gz FWNDDIMXYRKCLW-MOPGFXCFSA-N 1 2 352.438 2.453 20 30 FEEDLO N#CCCn1cc(C[N@H+]2CCO[C@H]3CCOC[C@H]32)c(-c2ccccc2)n1 ZINC000366487246 555858133 /nfs/dbraw/zinc/85/81/33/555858133.db2.gz FWNDDIMXYRKCLW-MOPGFXCFSA-N 1 2 352.438 2.453 20 30 FEEDLO CC[N@H+](CC(=O)N1CCCCCC1)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000367629409 556100863 /nfs/dbraw/zinc/10/08/63/556100863.db2.gz YLAMRSPVMYMVNK-INIZCTEOSA-N 1 2 374.510 2.450 20 30 FEEDLO CC[N@@H+](CC(=O)N1CCCCCC1)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000367629409 556100866 /nfs/dbraw/zinc/10/08/66/556100866.db2.gz YLAMRSPVMYMVNK-INIZCTEOSA-N 1 2 374.510 2.450 20 30 FEEDLO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)[C@@H]1CCN(c3ccc(C#N)cc3F)C1)C2 ZINC000367721007 556122916 /nfs/dbraw/zinc/12/29/16/556122916.db2.gz NCEDXFIWYUAIEP-HZPDHXFCSA-N 1 2 367.428 2.160 20 30 FEEDLO N#Cc1ccc(OC2CN(C(=O)NC[C@@H]3CCCn4cc[nH+]c43)C2)cc1 ZINC000368139227 556228209 /nfs/dbraw/zinc/22/82/09/556228209.db2.gz OHMJZJCHOJNDGH-HNNXBMFYSA-N 1 2 351.410 2.105 20 30 FEEDLO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CCC[C@@H](N3CCCCC3=O)C2)C1=O ZINC000368542520 556340484 /nfs/dbraw/zinc/34/04/84/556340484.db2.gz GWZZQBSGVZWDBR-HZPDHXFCSA-N 1 2 372.494 2.202 20 30 FEEDLO N#Cc1ccsc1N1CC[C@@H]([N@H+]2CCC[C@@H](N3CCCCC3=O)C2)C1=O ZINC000368542520 556340487 /nfs/dbraw/zinc/34/04/87/556340487.db2.gz GWZZQBSGVZWDBR-HZPDHXFCSA-N 1 2 372.494 2.202 20 30 FEEDLO Cc1noc(C)c1CO[C@H]1CC[N@H+](CC(=O)NC2(C#N)CCCCC2)C1 ZINC000368866648 556432951 /nfs/dbraw/zinc/43/29/51/556432951.db2.gz HQKBKOYQDFDMGK-INIZCTEOSA-N 1 2 360.458 2.225 20 30 FEEDLO Cc1noc(C)c1CO[C@H]1CC[N@@H+](CC(=O)NC2(C#N)CCCCC2)C1 ZINC000368866648 556432953 /nfs/dbraw/zinc/43/29/53/556432953.db2.gz HQKBKOYQDFDMGK-INIZCTEOSA-N 1 2 360.458 2.225 20 30 FEEDLO N#Cc1cccnc1N1CCC[N@H+](Cc2ncnn2-c2ccccc2)CC1 ZINC000369195839 556532263 /nfs/dbraw/zinc/53/22/63/556532263.db2.gz WHLYHUJORYKWMN-UHFFFAOYSA-N 1 2 359.437 2.246 20 30 FEEDLO N#Cc1cccnc1N1CCC[N@@H+](Cc2ncnn2-c2ccccc2)CC1 ZINC000369195839 556532264 /nfs/dbraw/zinc/53/22/64/556532264.db2.gz WHLYHUJORYKWMN-UHFFFAOYSA-N 1 2 359.437 2.246 20 30 FEEDLO C[C@H](c1nnnn1C1CCCCC1)[NH+]1CCC(n2cnc(C#N)n2)CC1 ZINC000369383160 556585716 /nfs/dbraw/zinc/58/57/16/556585716.db2.gz INRYRYXBIBEEAI-CYBMUJFWSA-N 1 2 355.450 2.040 20 30 FEEDLO CC(C)(C(=O)NCC1CCN(c2ccccc2C#N)CC1)[NH+]1CCOCC1 ZINC000369385358 556586143 /nfs/dbraw/zinc/58/61/43/556586143.db2.gz WUWSFFLYXXQQFU-UHFFFAOYSA-N 1 2 370.497 2.002 20 30 FEEDLO COc1cc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)ccc1C#N ZINC000516238281 562037052 /nfs/dbraw/zinc/03/70/52/562037052.db2.gz PAOFZKNQGSIOHN-UHFFFAOYSA-N 1 2 353.382 2.192 20 30 FEEDLO C=CCc1ccc(OCC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)c(OC)c1 ZINC000369709857 556674422 /nfs/dbraw/zinc/67/44/22/556674422.db2.gz UKXJWCPSBOXNMO-SFHVURJKSA-N 1 2 374.481 2.126 20 30 FEEDLO N#Cc1ccc(OCCNC(=O)NCCc2cn3c([nH+]2)CCCC3)cc1 ZINC000369748619 556684851 /nfs/dbraw/zinc/68/48/51/556684851.db2.gz MRNVATLIESOXSM-UHFFFAOYSA-N 1 2 353.426 2.012 20 30 FEEDLO CCc1nc(C[NH+]2C[C@H]3CN(c4ccc(Cl)c(C#N)n4)C[C@@H]3C2)no1 ZINC000370090542 556778064 /nfs/dbraw/zinc/77/80/64/556778064.db2.gz RNWPSOPKNMFDJY-RYUDHWBXSA-N 1 2 358.833 2.120 20 30 FEEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1)CCC2 ZINC000370932668 557020956 /nfs/dbraw/zinc/02/09/56/557020956.db2.gz JUCUAFTXODOQHX-LBPRGKRZSA-N 1 2 371.828 2.349 20 30 FEEDLO CC[C@H](C)[C@H](NC(=O)N(CCC#N)CC[NH+]1CCOCC1)C(F)(F)F ZINC000517494815 562091257 /nfs/dbraw/zinc/09/12/57/562091257.db2.gz LYLADDDJUGADFQ-KBPBESRZSA-N 1 2 364.412 2.221 20 30 FEEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000371433507 557186240 /nfs/dbraw/zinc/18/62/40/557186240.db2.gz XAQNVHGROCSYCB-MRXNPFEDSA-N 1 2 361.409 2.243 20 30 FEEDLO CNS(=O)(=O)[C@@H]1CCC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000371866841 557315325 /nfs/dbraw/zinc/31/53/25/557315325.db2.gz RRANUBUGJRIQRZ-OAHLLOKOSA-N 1 2 360.401 2.071 20 30 FEEDLO CNS(=O)(=O)[C@@H]1CCC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000371866841 557315326 /nfs/dbraw/zinc/31/53/26/557315326.db2.gz RRANUBUGJRIQRZ-OAHLLOKOSA-N 1 2 360.401 2.071 20 30 FEEDLO N#Cc1ncn(C2CC[NH+](Cc3ccn(-c4ccccc4F)n3)CC2)n1 ZINC000373404367 557687506 /nfs/dbraw/zinc/68/75/06/557687506.db2.gz KZXGAFWJDIMGTH-UHFFFAOYSA-N 1 2 351.389 2.312 20 30 FEEDLO N#CC1(C(=O)N2CCN(c3cc(C(F)(F)F)cc[nH+]3)CC2)CCOCC1 ZINC000373516813 557709872 /nfs/dbraw/zinc/70/98/72/557709872.db2.gz SXOKPPVKSSMOKR-UHFFFAOYSA-N 1 2 368.359 2.069 20 30 FEEDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2ccn(-c3cccc(C#N)c3)n2)C1 ZINC000374059615 557815942 /nfs/dbraw/zinc/81/59/42/557815942.db2.gz RXPUGHPHQYPMRL-INIZCTEOSA-N 1 2 360.421 2.497 20 30 FEEDLO Cc1c(I)cccc1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000520819940 562164546 /nfs/dbraw/zinc/16/45/46/562164546.db2.gz RSPQEBCTASSSQS-AWEZNQCLSA-N 1 2 371.222 2.173 20 30 FEEDLO CCOC(=O)[C@H]1C[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)Cc2ccccc21 ZINC000374404981 557879834 /nfs/dbraw/zinc/87/98/34/557879834.db2.gz KRYQGXJCSSHYDZ-FXAWDEMLSA-N 1 2 357.454 2.203 20 30 FEEDLO CCOC(=O)[C@H]1C[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)Cc2ccccc21 ZINC000374404981 557879835 /nfs/dbraw/zinc/87/98/35/557879835.db2.gz KRYQGXJCSSHYDZ-FXAWDEMLSA-N 1 2 357.454 2.203 20 30 FEEDLO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)NCc1cccc(C#N)c1 ZINC000374800939 557933501 /nfs/dbraw/zinc/93/35/01/557933501.db2.gz XNSISRKJSSXWKQ-MOPGFXCFSA-N 1 2 361.449 2.228 20 30 FEEDLO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)NCc1cccc(C#N)c1 ZINC000374800939 557933503 /nfs/dbraw/zinc/93/35/03/557933503.db2.gz XNSISRKJSSXWKQ-MOPGFXCFSA-N 1 2 361.449 2.228 20 30 FEEDLO COc1ccc(C[NH+]2CC(n3cc([C@H](C)O)nn3)C2)cc1OCCCC#N ZINC000374816623 557935540 /nfs/dbraw/zinc/93/55/40/557935540.db2.gz FYRKFBIAHJVREG-AWEZNQCLSA-N 1 2 371.441 2.079 20 30 FEEDLO Cc1oc(NC(=O)C[N@@H+]2CC[C@](O)(c3ccc(F)cc3)C2)c(C#N)c1C ZINC000374884684 557945838 /nfs/dbraw/zinc/94/58/38/557945838.db2.gz WLEOTERYQAYKNZ-LJQANCHMSA-N 1 2 357.385 2.439 20 30 FEEDLO Cc1oc(NC(=O)C[N@H+]2CC[C@](O)(c3ccc(F)cc3)C2)c(C#N)c1C ZINC000374884684 557945840 /nfs/dbraw/zinc/94/58/40/557945840.db2.gz WLEOTERYQAYKNZ-LJQANCHMSA-N 1 2 357.385 2.439 20 30 FEEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCCC[C@H]1Cn1ccnn1 ZINC000374982749 557959374 /nfs/dbraw/zinc/95/93/74/557959374.db2.gz BOYXZTUYCOOSLM-HNNXBMFYSA-N 1 2 358.833 2.296 20 30 FEEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCCC[C@H]1Cn1ccnn1 ZINC000374982749 557959375 /nfs/dbraw/zinc/95/93/75/557959375.db2.gz BOYXZTUYCOOSLM-HNNXBMFYSA-N 1 2 358.833 2.296 20 30 FEEDLO C=CC[C@@H](C(=O)N1CC[NH+](C2(C(N)=O)CCCC2)CC1)c1ccccc1 ZINC000375297177 558005635 /nfs/dbraw/zinc/00/56/35/558005635.db2.gz HYIWAEIJOIBPCN-GOSISDBHSA-N 1 2 355.482 2.289 20 30 FEEDLO N#Cc1ccc(C[N@@H+]2CCC[C@]3(CNC(=O)O3)C2)c(Br)c1 ZINC000375565290 558049623 /nfs/dbraw/zinc/04/96/23/558049623.db2.gz LXJPBJASIBUXSX-HNNXBMFYSA-N 1 2 350.216 2.395 20 30 FEEDLO N#Cc1ccc(C[N@H+]2CCC[C@]3(CNC(=O)O3)C2)c(Br)c1 ZINC000375565290 558049625 /nfs/dbraw/zinc/04/96/25/558049625.db2.gz LXJPBJASIBUXSX-HNNXBMFYSA-N 1 2 350.216 2.395 20 30 FEEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCC[C@]3(CNC(=O)O3)C2)cc1 ZINC000375571578 558050673 /nfs/dbraw/zinc/05/06/73/558050673.db2.gz OTHXTOYASXUTLU-JXFKEZNVSA-N 1 2 370.453 2.205 20 30 FEEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CCC[C@]3(CNC(=O)O3)C2)cc1 ZINC000375571578 558050675 /nfs/dbraw/zinc/05/06/75/558050675.db2.gz OTHXTOYASXUTLU-JXFKEZNVSA-N 1 2 370.453 2.205 20 30 FEEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCC[C@]2(CNC(=O)O2)C1 ZINC000375572772 558050988 /nfs/dbraw/zinc/05/09/88/558050988.db2.gz SSCRJFIPUNXEPZ-LIRRHRJNSA-N 1 2 374.416 2.035 20 30 FEEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCC[C@]2(CNC(=O)O2)C1 ZINC000375572772 558050989 /nfs/dbraw/zinc/05/09/89/558050989.db2.gz SSCRJFIPUNXEPZ-LIRRHRJNSA-N 1 2 374.416 2.035 20 30 FEEDLO C#CCn1ccc(CN(CC)C(=O)N[C@H]2CCCN(c3cccc[nH+]3)C2)n1 ZINC000375756326 558077630 /nfs/dbraw/zinc/07/76/30/558077630.db2.gz PQUQPIMDMAAHSD-KRWDZBQOSA-N 1 2 366.469 2.112 20 30 FEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)Cc1c(F)ccc(Br)c1F ZINC000521632674 562180816 /nfs/dbraw/zinc/18/08/16/562180816.db2.gz VQNSKPKGZIVGAO-AWEZNQCLSA-N 1 2 360.202 2.230 20 30 FEEDLO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000376187292 558138588 /nfs/dbraw/zinc/13/85/88/558138588.db2.gz LGXFCKQTTGHPCC-QRFRQXIXSA-N 1 2 371.481 2.283 20 30 FEEDLO CC[C@@](C)(C#N)C(=O)N1CC[C@@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000376189454 558138792 /nfs/dbraw/zinc/13/87/92/558138792.db2.gz VDEGRVHJEMZZLB-BEFAXECRSA-N 1 2 364.490 2.080 20 30 FEEDLO CC(=O)Nc1cccc(C[N@@H+]2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)c1 ZINC000378292628 558521876 /nfs/dbraw/zinc/52/18/76/558521876.db2.gz RVQZPYSEYPVAPI-IERDGZPVSA-N 1 2 360.417 2.490 20 30 FEEDLO CC(=O)Nc1cccc(C[N@H+]2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)c1 ZINC000378292628 558521879 /nfs/dbraw/zinc/52/18/79/558521879.db2.gz RVQZPYSEYPVAPI-IERDGZPVSA-N 1 2 360.417 2.490 20 30 FEEDLO O=C(NCC#Cc1ccc(C(F)(F)F)cc1)C1([NH+]2CCOCC2)CCC1 ZINC000378381816 558544608 /nfs/dbraw/zinc/54/46/08/558544608.db2.gz ZVQUSIFMGCVGMX-UHFFFAOYSA-N 1 2 366.383 2.428 20 30 FEEDLO Cc1ncc(S(=O)(=O)N2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1C#N ZINC000396374452 558623313 /nfs/dbraw/zinc/62/33/13/558623313.db2.gz MGDDVCMYOHJZPA-OAHLLOKOSA-N 1 2 370.478 2.157 20 30 FEEDLO Cc1ncc(S(=O)(=O)N2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1C#N ZINC000396374452 558623316 /nfs/dbraw/zinc/62/33/16/558623316.db2.gz MGDDVCMYOHJZPA-OAHLLOKOSA-N 1 2 370.478 2.157 20 30 FEEDLO CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000409554938 558702814 /nfs/dbraw/zinc/70/28/14/558702814.db2.gz RAOGOBJEVNNCOB-BBRMVZONSA-N 1 2 372.922 2.259 20 30 FEEDLO C=CCCN(C)C(=O)C(=O)N1CC[N@@H+](Cc2ccccc2OCC)C[C@@H]1C ZINC000410942059 558826354 /nfs/dbraw/zinc/82/63/54/558826354.db2.gz FCSLOESHZYZTGW-KRWDZBQOSA-N 1 2 373.497 2.153 20 30 FEEDLO C=CCCN(C)C(=O)C(=O)N1CC[N@H+](Cc2ccccc2OCC)C[C@@H]1C ZINC000410942059 558826356 /nfs/dbraw/zinc/82/63/56/558826356.db2.gz FCSLOESHZYZTGW-KRWDZBQOSA-N 1 2 373.497 2.153 20 30 FEEDLO CCC[N@H+](CC(=O)Nc1ccccc1OC)[C@H](C)C(=O)NC1(C#N)CCC1 ZINC000411130137 558842054 /nfs/dbraw/zinc/84/20/54/558842054.db2.gz GKQDANNHSRHIBA-OAHLLOKOSA-N 1 2 372.469 2.297 20 30 FEEDLO CCC[N@@H+](CC(=O)Nc1ccccc1OC)[C@H](C)C(=O)NC1(C#N)CCC1 ZINC000411130137 558842055 /nfs/dbraw/zinc/84/20/55/558842055.db2.gz GKQDANNHSRHIBA-OAHLLOKOSA-N 1 2 372.469 2.297 20 30 FEEDLO COc1cc(OC)cc([C@H](Nc2cc(C#N)ncn2)c2[nH+]ccn2C)c1 ZINC000525888624 562258552 /nfs/dbraw/zinc/25/85/52/562258552.db2.gz XGRPVUSRXRRIFX-KRWDZBQOSA-N 1 2 350.382 2.300 20 30 FEEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2C[C@H](O)C[C@@H]2c2ccccc2)c1 ZINC000411956015 558994763 /nfs/dbraw/zinc/99/47/63/558994763.db2.gz VUTBSTRFNHFPEX-IEBWSBKVSA-N 1 2 356.447 2.140 20 30 FEEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2C[C@H](O)C[C@@H]2c2ccccc2)c1 ZINC000411956015 558994765 /nfs/dbraw/zinc/99/47/65/558994765.db2.gz VUTBSTRFNHFPEX-IEBWSBKVSA-N 1 2 356.447 2.140 20 30 FEEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[NH+]1CCN(c2nc3ccccc3s2)CC1 ZINC000526056749 562265470 /nfs/dbraw/zinc/26/54/70/562265470.db2.gz NNAVGCMBCLQRAZ-AWEZNQCLSA-N 1 2 369.494 2.369 20 30 FEEDLO Cc1[nH+]c2cc(NC(=O)C(=O)Nc3ccc(F)c(C#N)c3)ccc2n1C ZINC000527145834 562277996 /nfs/dbraw/zinc/27/79/96/562277996.db2.gz QLJVGPYRECXERN-UHFFFAOYSA-N 1 2 351.341 2.470 20 30 FEEDLO CC[N@@H+]1CC[C@H](NS(=O)(=O)[C@@H](C)C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000416447162 559313517 /nfs/dbraw/zinc/31/35/17/559313517.db2.gz BMUDMNUOIZCTJF-LKTVYLICSA-N 1 2 359.854 2.446 20 30 FEEDLO CC[N@H+]1CC[C@H](NS(=O)(=O)[C@@H](C)C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000416447162 559313518 /nfs/dbraw/zinc/31/35/18/559313518.db2.gz BMUDMNUOIZCTJF-LKTVYLICSA-N 1 2 359.854 2.446 20 30 FEEDLO CC[C@H]1C[N@H+](CCNC(=O)N[C@H]2CCCc3cc(C#N)ccc32)CCO1 ZINC000419613420 559449911 /nfs/dbraw/zinc/44/99/11/559449911.db2.gz NMFNYHLKGUIRLM-HKUYNNGSSA-N 1 2 356.470 2.346 20 30 FEEDLO CC[C@H]1C[N@@H+](CCNC(=O)N[C@H]2CCCc3cc(C#N)ccc32)CCO1 ZINC000419613420 559449912 /nfs/dbraw/zinc/44/99/12/559449912.db2.gz NMFNYHLKGUIRLM-HKUYNNGSSA-N 1 2 356.470 2.346 20 30 FEEDLO C=CCC[C@H]1NC(=O)N(C[C@@H](c2ccc(C)cc2)[NH+]2CCOCC2)C1=O ZINC000419954535 559466293 /nfs/dbraw/zinc/46/62/93/559466293.db2.gz REYIBUBXFYRKGX-MSOLQXFVSA-N 1 2 357.454 2.255 20 30 FEEDLO CC(=O)N[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2S[C@@H](C)CC#N)C1 ZINC000420947003 559513540 /nfs/dbraw/zinc/51/35/40/559513540.db2.gz CJFMNULJMCXWKB-DZGCQCFKSA-N 1 2 360.483 2.230 20 30 FEEDLO CC(=O)N[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2S[C@@H](C)CC#N)C1 ZINC000420947003 559513541 /nfs/dbraw/zinc/51/35/41/559513541.db2.gz CJFMNULJMCXWKB-DZGCQCFKSA-N 1 2 360.483 2.230 20 30 FEEDLO CC(=O)N[C@H]1CC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000420965277 559514951 /nfs/dbraw/zinc/51/49/51/559514951.db2.gz YDAKQLVASXIYNB-WMZOPIPTSA-N 1 2 356.470 2.149 20 30 FEEDLO CC(=O)N[C@H]1CC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000420965277 559514952 /nfs/dbraw/zinc/51/49/52/559514952.db2.gz YDAKQLVASXIYNB-WMZOPIPTSA-N 1 2 356.470 2.149 20 30 FEEDLO CC[NH+]1CCC([N@@H+]2CCCN(Cc3c(C#N)cccc3[N+](=O)[O-])CC2)CC1 ZINC000420984404 559517184 /nfs/dbraw/zinc/51/71/84/559517184.db2.gz SZGSWOJUKJYUQP-UHFFFAOYSA-N 1 2 371.485 2.458 20 30 FEEDLO CC(=O)N[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000420991036 559517913 /nfs/dbraw/zinc/51/79/13/559517913.db2.gz VJOFVZSHACGBJC-TZMCWYRMSA-N 1 2 374.510 2.426 20 30 FEEDLO CC(=O)N[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000420991036 559517914 /nfs/dbraw/zinc/51/79/14/559517914.db2.gz VJOFVZSHACGBJC-TZMCWYRMSA-N 1 2 374.510 2.426 20 30 FEEDLO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000425134729 559688286 /nfs/dbraw/zinc/68/82/86/559688286.db2.gz UVKOVQHVLTXIGN-KRWDZBQOSA-N 1 2 363.465 2.295 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000425408481 559700545 /nfs/dbraw/zinc/70/05/45/559700545.db2.gz TWDLJNLZERYEHL-ZCNNSNEGSA-N 1 2 373.497 2.259 20 30 FEEDLO C[C@H]1CN(C(=O)C(C)(C)C)C[C@H](C)[NH+]1CC(=O)NCc1cccc(C#N)c1 ZINC000429397229 559797821 /nfs/dbraw/zinc/79/78/21/559797821.db2.gz FKYLEXMEFAZVFL-HOTGVXAUSA-N 1 2 370.497 2.142 20 30 FEEDLO COC(=O)C[C@](C)([NH2+]CC(=O)Nc1sccc1C#N)c1ccccn1 ZINC000429674412 559803576 /nfs/dbraw/zinc/80/35/76/559803576.db2.gz KSLQJQJBCCCMDJ-KRWDZBQOSA-N 1 2 358.423 2.021 20 30 FEEDLO Cc1cccc([C@H](CNC(=O)NCC2(CC#N)CC2)[NH+]2CCOCC2)c1 ZINC000430187316 559815141 /nfs/dbraw/zinc/81/51/41/559815141.db2.gz OROPVPARKBQASV-SFHVURJKSA-N 1 2 356.470 2.361 20 30 FEEDLO N#CCCn1cc(C[N@@H+](CC(N)=O)Cc2ccccc2)c(-c2ccncc2)n1 ZINC000435131119 559916903 /nfs/dbraw/zinc/91/69/03/559916903.db2.gz XYIODDZAEQNCBK-UHFFFAOYSA-N 1 2 374.448 2.346 20 30 FEEDLO N#CCCn1cc(C[N@H+](CC(N)=O)Cc2ccccc2)c(-c2ccncc2)n1 ZINC000435131119 559916904 /nfs/dbraw/zinc/91/69/04/559916904.db2.gz XYIODDZAEQNCBK-UHFFFAOYSA-N 1 2 374.448 2.346 20 30 FEEDLO C=CCN1CC[C@H](N2CC[N@@H+](Cc3ccccc3OCC)C[C@@H]2C)C1=O ZINC000441382313 560030630 /nfs/dbraw/zinc/03/06/30/560030630.db2.gz TYUNCLUKLNQBIW-HKUYNNGSSA-N 1 2 357.498 2.378 20 30 FEEDLO C=CCN1CC[C@H](N2CC[N@H+](Cc3ccccc3OCC)C[C@@H]2C)C1=O ZINC000441382313 560030631 /nfs/dbraw/zinc/03/06/31/560030631.db2.gz TYUNCLUKLNQBIW-HKUYNNGSSA-N 1 2 357.498 2.378 20 30 FEEDLO C=CCN1CC[C@H]([N@H+]2CCN(Cc3ccccc3OCC)C[C@@H]2C)C1=O ZINC000441382313 560030633 /nfs/dbraw/zinc/03/06/33/560030633.db2.gz TYUNCLUKLNQBIW-HKUYNNGSSA-N 1 2 357.498 2.378 20 30 FEEDLO C=CCN1CC[C@H]([N@@H+]2CCN(Cc3ccccc3OCC)C[C@@H]2C)C1=O ZINC000441382313 560030635 /nfs/dbraw/zinc/03/06/35/560030635.db2.gz TYUNCLUKLNQBIW-HKUYNNGSSA-N 1 2 357.498 2.378 20 30 FEEDLO COc1cc(C[NH+]2CCN(CC(=O)Nc3ccccc3)CC2)ccc1C#N ZINC000442811766 560057939 /nfs/dbraw/zinc/05/79/39/560057939.db2.gz PMHJXHBFTKVUOU-UHFFFAOYSA-N 1 2 364.449 2.323 20 30 FEEDLO CC(C)(C)OC(=O)C[NH2+][C@]1(C)CCN(C(=O)c2cccc(CC#N)c2)C1 ZINC000442813964 560058161 /nfs/dbraw/zinc/05/81/61/560058161.db2.gz AHHIBQNGFAXHDW-HXUWFJFHSA-N 1 2 357.454 2.289 20 30 FEEDLO Cc1cc(S(=O)(=O)NCC[N@@H+]2CCc3ccccc3C2)ccc1C#N ZINC000443974221 560097975 /nfs/dbraw/zinc/09/79/75/560097975.db2.gz TWLGDVBKZZFABE-UHFFFAOYSA-N 1 2 355.463 2.203 20 30 FEEDLO Cc1cc(S(=O)(=O)NCC[N@H+]2CCc3ccccc3C2)ccc1C#N ZINC000443974221 560097976 /nfs/dbraw/zinc/09/79/76/560097976.db2.gz TWLGDVBKZZFABE-UHFFFAOYSA-N 1 2 355.463 2.203 20 30 FEEDLO CC(C)c1ncc2c(n1)CC[N@@H+](C[C@H](O)COc1ccc(C#N)cc1)C2 ZINC000527620612 562298003 /nfs/dbraw/zinc/29/80/03/562298003.db2.gz WHAHEHSHEONJFA-KRWDZBQOSA-N 1 2 352.438 2.270 20 30 FEEDLO CC(C)c1ncc2c(n1)CC[N@H+](C[C@H](O)COc1ccc(C#N)cc1)C2 ZINC000527620612 562298004 /nfs/dbraw/zinc/29/80/04/562298004.db2.gz WHAHEHSHEONJFA-KRWDZBQOSA-N 1 2 352.438 2.270 20 30 FEEDLO CCN(C[C@H](C)C#N)C(=O)CNc1ccc([NH+]2CCCCC2)cc1C(N)=O ZINC000447363703 560160921 /nfs/dbraw/zinc/16/09/21/560160921.db2.gz AGJFRSMZDLIWRX-OAHLLOKOSA-N 1 2 371.485 2.196 20 30 FEEDLO C=CC[N@@H+](Cc1cn(C)nc1-c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000449019468 560212141 /nfs/dbraw/zinc/21/21/41/560212141.db2.gz WQLPEFAAMZLYST-KRWDZBQOSA-N 1 2 363.458 2.401 20 30 FEEDLO C=CC[N@H+](Cc1cn(C)nc1-c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000449019468 560212143 /nfs/dbraw/zinc/21/21/43/560212143.db2.gz WQLPEFAAMZLYST-KRWDZBQOSA-N 1 2 363.458 2.401 20 30 FEEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)COc1cccc(Br)c1C#N ZINC000449650942 560235595 /nfs/dbraw/zinc/23/55/95/560235595.db2.gz MKXBUZHVLUNSBY-NSHDSACASA-N 1 2 363.215 2.101 20 30 FEEDLO CC(C)(CC#N)CS(=O)(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000451022789 560282853 /nfs/dbraw/zinc/28/28/53/560282853.db2.gz CJNGNOOLACOGEG-UHFFFAOYSA-N 1 2 360.483 2.333 20 30 FEEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NS(=O)(=O)CC(C)(C)CC#N)C2 ZINC000451184933 560291871 /nfs/dbraw/zinc/29/18/71/560291871.db2.gz MSLQKGSFFLWFGR-CYBMUJFWSA-N 1 2 352.504 2.355 20 30 FEEDLO N#CCc1cccc(NC(=O)C(=O)NCCCCNc2cccc[nH+]2)c1 ZINC000453658923 560394185 /nfs/dbraw/zinc/39/41/85/560394185.db2.gz VFAKNEGSOLUBJQ-UHFFFAOYSA-N 1 2 351.410 2.095 20 30 FEEDLO C[C@@H]1CN(C(=O)C(C)(C)Cc2ccc(C#N)cc2)C[C@H]1[NH+]1CCOCC1 ZINC000455804150 560495233 /nfs/dbraw/zinc/49/52/33/560495233.db2.gz IZPVNCLHPZCIIW-VQIMIIECSA-N 1 2 355.482 2.306 20 30 FEEDLO N#CCc1cccc(NC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)c1 ZINC000455926406 560500552 /nfs/dbraw/zinc/50/05/52/560500552.db2.gz YLOIRSQFXILPAZ-GOSISDBHSA-N 1 2 360.483 2.082 20 30 FEEDLO C[N@@H+](Cc1c(C#N)cccc1[N+](=O)[O-])C[C@@H](O)COCc1ccccc1 ZINC000459347262 560681601 /nfs/dbraw/zinc/68/16/01/560681601.db2.gz QCKVMCCYKRVYPU-QGZVFWFLSA-N 1 2 355.394 2.476 20 30 FEEDLO C[N@H+](Cc1c(C#N)cccc1[N+](=O)[O-])C[C@@H](O)COCc1ccccc1 ZINC000459347262 560681602 /nfs/dbraw/zinc/68/16/02/560681602.db2.gz QCKVMCCYKRVYPU-QGZVFWFLSA-N 1 2 355.394 2.476 20 30 FEEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000459375250 560682896 /nfs/dbraw/zinc/68/28/96/560682896.db2.gz YPXNWNRYAWOPGU-RHSMWYFYSA-N 1 2 354.410 2.442 20 30 FEEDLO CCCN(CC(=O)Nc1ccccc1OC)C(=O)C[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000459477002 560688599 /nfs/dbraw/zinc/68/85/99/560688599.db2.gz YDWNMRDBWJRJLB-HZPDHXFCSA-N 1 2 372.469 2.154 20 30 FEEDLO CCCN(CC(C)C)C(=O)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000459968322 560724832 /nfs/dbraw/zinc/72/48/32/560724832.db2.gz SPTSCYBTZJWZTR-UHFFFAOYSA-N 1 2 370.497 2.097 20 30 FEEDLO CC(C)(C)CN1CCC[C@@H]([NH+]2CCN(c3ncccc3C#N)CC2)C1=O ZINC000460667843 560748876 /nfs/dbraw/zinc/74/88/76/560748876.db2.gz GYLMCZCEVCAXEV-QGZVFWFLSA-N 1 2 355.486 2.112 20 30 FEEDLO C[C@@H](C(=O)N(CCC#N)CC[NH+]1CCOCC1)c1ccc(F)c(F)c1 ZINC000460907372 560755106 /nfs/dbraw/zinc/75/51/06/560755106.db2.gz WTPKXHYHDNQPOY-CQSZACIVSA-N 1 2 351.397 2.143 20 30 FEEDLO C[C@H](C(=O)NCc1ccc[nH+]c1N1CCOCC1)c1cccc(C#N)c1 ZINC000461902285 560787278 /nfs/dbraw/zinc/78/72/78/560787278.db2.gz QTAANPVUEICCSZ-HNNXBMFYSA-N 1 2 350.422 2.210 20 30 FEEDLO COc1cccc(OCC[NH+]2CCN(C(=O)N[C@@H]3CCC[C@@H]3C#N)CC2)c1 ZINC000461961416 560789851 /nfs/dbraw/zinc/78/98/51/560789851.db2.gz URBFNORYVYYAEI-VQIMIIECSA-N 1 2 372.469 2.093 20 30 FEEDLO Cc1cc(=NC(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)[nH]n1CCC#N ZINC000462279510 560804159 /nfs/dbraw/zinc/80/41/59/560804159.db2.gz LEGWEPNHUPNLOQ-OAHLLOKOSA-N 1 2 372.498 3.077 20 30 FEEDLO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000464514215 560844147 /nfs/dbraw/zinc/84/41/47/560844147.db2.gz GCYPIQUYCGJTGZ-LPHOPBHVSA-N 1 2 359.470 2.141 20 30 FEEDLO C=CC[N@H+](Cc1nnnn1C(C)(C)C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000464688562 560848529 /nfs/dbraw/zinc/84/85/29/560848529.db2.gz HRCDIOOUDYHJCR-AWEZNQCLSA-N 1 2 367.461 2.153 20 30 FEEDLO C=CC[N@@H+](Cc1nnnn1C(C)(C)C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000464688562 560848530 /nfs/dbraw/zinc/84/85/30/560848530.db2.gz HRCDIOOUDYHJCR-AWEZNQCLSA-N 1 2 367.461 2.153 20 30 FEEDLO COc1ccc(Cn2nc(C)c(C[NH+]3CCN(CC#N)CC3)c2C)cc1 ZINC000468402711 560928998 /nfs/dbraw/zinc/92/89/98/560928998.db2.gz LKRNHUHUYYNWLM-UHFFFAOYSA-N 1 2 353.470 2.198 20 30 FEEDLO C=CCOCCC[NH+]1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000470716412 560988014 /nfs/dbraw/zinc/98/80/14/560988014.db2.gz LNXYJOYLTJWIGI-UHFFFAOYSA-N 1 2 364.920 2.301 20 30 FEEDLO N#C[C@H](c1cccc(Cl)c1)N1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000471025080 560996675 /nfs/dbraw/zinc/99/66/75/560996675.db2.gz IFOZOMDSDWFVFR-MRXNPFEDSA-N 1 2 374.832 2.327 20 30 FEEDLO N#Cc1ccnc(N2CC[NH+]([C@H]3CCN(C4CCCCC4)C3=O)CC2)c1 ZINC000528351520 562324144 /nfs/dbraw/zinc/32/41/44/562324144.db2.gz PDLQJSRYTMYJTD-SFHVURJKSA-N 1 2 353.470 2.009 20 30 FEEDLO N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000528548606 562335458 /nfs/dbraw/zinc/33/54/58/562335458.db2.gz JOCFIUHMMMNCGD-RXVVDRJESA-N 1 2 362.433 2.250 20 30 FEEDLO N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000528548606 562335459 /nfs/dbraw/zinc/33/54/59/562335459.db2.gz JOCFIUHMMMNCGD-RXVVDRJESA-N 1 2 362.433 2.250 20 30 FEEDLO N#Cc1ccc(CNC(=O)C[NH+]2CCN(c3cccc4[nH]ccc43)CC2)cc1 ZINC000528760778 562346157 /nfs/dbraw/zinc/34/61/57/562346157.db2.gz CHTGJBZJCSRLBJ-UHFFFAOYSA-N 1 2 373.460 2.478 20 30 FEEDLO Cc1nn(C)c(N2CC[NH+](Cc3cnc([C@H]4CCCO4)s3)CC2)c1C#N ZINC000530407260 562410064 /nfs/dbraw/zinc/41/00/64/562410064.db2.gz IYIWPXLLOQFDAF-MRXNPFEDSA-N 1 2 372.498 2.230 20 30 FEEDLO C[N@H+](CCCC(=O)OC(C)(C)C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000533607338 562514341 /nfs/dbraw/zinc/51/43/41/562514341.db2.gz XPFURLAOYMLXHU-UHFFFAOYSA-N 1 2 366.483 2.386 20 30 FEEDLO C[N@@H+](CCCC(=O)OC(C)(C)C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000533607338 562514342 /nfs/dbraw/zinc/51/43/42/562514342.db2.gz XPFURLAOYMLXHU-UHFFFAOYSA-N 1 2 366.483 2.386 20 30 FEEDLO N#CCC1CCN(C(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)CC1 ZINC000541912929 562623200 /nfs/dbraw/zinc/62/32/00/562623200.db2.gz QHTOSMQMBVWCNA-LJQANCHMSA-N 1 2 356.470 2.395 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000556195949 674391688 /nfs/dbraw/zinc/39/16/88/674391688.db2.gz XQJONKJWOQABSU-OWSLCNJRSA-N 1 2 364.873 2.419 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000556195949 674391689 /nfs/dbraw/zinc/39/16/89/674391689.db2.gz XQJONKJWOQABSU-OWSLCNJRSA-N 1 2 364.873 2.419 20 30 FEEDLO N#CC1(c2ccc(C(=O)N3CC[NH+](CCc4cnccn4)CC3)cc2)CC1 ZINC000601888047 567866044 /nfs/dbraw/zinc/86/60/44/567866044.db2.gz OLYHSOGESZRKQZ-UHFFFAOYSA-N 1 2 361.449 2.032 20 30 FEEDLO CC(C)c1ccc(CCNC(=O)C[NH+]2C[C@@H](C)N(CC#N)[C@H](C)C2)cc1 ZINC000602856570 568002615 /nfs/dbraw/zinc/00/26/15/568002615.db2.gz KWYHIFAZZZFACQ-QZTJIDSGSA-N 1 2 356.514 2.387 20 30 FEEDLO CC(C)[C@H](CNC(=O)C[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1)c1ccccc1 ZINC000602858467 568002938 /nfs/dbraw/zinc/00/29/38/568002938.db2.gz BHLZYWJHZHOJNI-BJLQDIEVSA-N 1 2 356.514 2.461 20 30 FEEDLO CCCCOc1cccc(CNC(=O)C[NH+]2C[C@@H](C)N(CC#N)[C@H](C)C2)c1 ZINC000602867576 568008602 /nfs/dbraw/zinc/00/86/02/568008602.db2.gz YNHLAEHBJOXMHJ-QZTJIDSGSA-N 1 2 372.513 2.400 20 30 FEEDLO C=CCn1cc(C[NH2+]Cc2ccc(I)s2)nn1 ZINC000602693392 568015773 /nfs/dbraw/zinc/01/57/73/568015773.db2.gz HTWUWHDFQGCRHR-UHFFFAOYSA-N 1 2 360.224 2.420 20 30 FEEDLO N#Cc1cc(C[NH+]2CCOCC2)cn(CCOc2ccccc2Cl)c1=O ZINC000568533469 568047817 /nfs/dbraw/zinc/04/78/17/568047817.db2.gz SXLUFAMISYVAHQ-UHFFFAOYSA-N 1 2 373.840 2.285 20 30 FEEDLO CCCOc1ccc(CNC(=O)C[NH+]2C[C@@H](C)N(CC#N)[C@H](C)C2)cc1 ZINC000602860475 568049412 /nfs/dbraw/zinc/04/94/12/568049412.db2.gz IMTAAUHPHAXUON-IAGOWNOFSA-N 1 2 358.486 2.010 20 30 FEEDLO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602863119 568050022 /nfs/dbraw/zinc/05/00/22/568050022.db2.gz OQXPTNJWUOMCCC-RBSFLKMASA-N 1 2 364.440 2.402 20 30 FEEDLO C=CCC[C@H](O)Cn1cc(C[NH+]2CCC(C(=O)OC(C)(C)C)CC2)nn1 ZINC000603259394 568079530 /nfs/dbraw/zinc/07/95/30/568079530.db2.gz PMVNZYVPRNHRCQ-KRWDZBQOSA-N 1 2 364.490 2.159 20 30 FEEDLO CC[N@H+](Cc1cnc2c(C#N)cnn2c1)[C@H]1CCN(c2ccccc2)C1=O ZINC000568631969 568101068 /nfs/dbraw/zinc/10/10/68/568101068.db2.gz DRTWCZCCTLEWRN-SFHVURJKSA-N 1 2 360.421 2.228 20 30 FEEDLO CC[N@@H+](Cc1cnc2c(C#N)cnn2c1)[C@H]1CCN(c2ccccc2)C1=O ZINC000568631969 568101069 /nfs/dbraw/zinc/10/10/69/568101069.db2.gz DRTWCZCCTLEWRN-SFHVURJKSA-N 1 2 360.421 2.228 20 30 FEEDLO Cn1c(C#N)ccc1C(=O)N1CCN(c2cc(C(F)(F)F)cc[nH+]2)CC1 ZINC000568719478 568149365 /nfs/dbraw/zinc/14/93/65/568149365.db2.gz HVANGUMFDFCJQH-UHFFFAOYSA-N 1 2 363.343 2.273 20 30 FEEDLO C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000604538401 568309186 /nfs/dbraw/zinc/30/91/86/568309186.db2.gz FVLYEDUPPNIFIV-QGZVFWFLSA-N 1 2 371.481 2.017 20 30 FEEDLO C=CCCC1(CNC(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CCCC1 ZINC000669195928 568500891 /nfs/dbraw/zinc/50/08/91/568500891.db2.gz AANXXPMBELCONF-KRWDZBQOSA-N 1 2 370.497 2.419 20 30 FEEDLO C[C@@H]1C[N@H+](CCNc2c(C#N)cnc3c(F)c(F)c(F)cc32)CCO1 ZINC000557569669 674454618 /nfs/dbraw/zinc/45/46/18/674454618.db2.gz IQTGHLPFCVSJSO-SNVBAGLBSA-N 1 2 350.344 2.078 20 30 FEEDLO C[C@@H]1C[N@@H+](CCNc2c(C#N)cnc3c(F)c(F)c(F)cc32)CCO1 ZINC000557569669 674454620 /nfs/dbraw/zinc/45/46/20/674454620.db2.gz IQTGHLPFCVSJSO-SNVBAGLBSA-N 1 2 350.344 2.078 20 30 FEEDLO C[N@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000821609836 599559275 /nfs/dbraw/zinc/55/92/75/599559275.db2.gz NYAVGZPIXUWUHW-UHFFFAOYSA-N 1 2 372.392 2.420 20 30 FEEDLO C[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000821609836 599559276 /nfs/dbraw/zinc/55/92/76/599559276.db2.gz NYAVGZPIXUWUHW-UHFFFAOYSA-N 1 2 372.392 2.420 20 30 FEEDLO N#Cc1cc(S(=O)(=O)N[C@H]2CCn3cc[nH+]c3C2)ccc1C(F)(F)F ZINC000558593936 674505664 /nfs/dbraw/zinc/50/56/64/674505664.db2.gz VQCNSXSNKOMHJV-NSHDSACASA-N 1 2 370.356 2.067 20 30 FEEDLO N#Cc1cccc(C[NH+]2CCN(c3ccccc3-c3nn[nH]n3)CC2)c1F ZINC000826386505 608649359 /nfs/dbraw/zinc/64/93/59/608649359.db2.gz HVAICVVRPKHKHW-UHFFFAOYSA-N 1 2 363.400 2.200 20 30 FEEDLO C=CC[N@@H+](CC(=O)NC1CCN(C(=O)OCC)CC1)Cc1cccs1 ZINC000050274380 670283333 /nfs/dbraw/zinc/28/33/33/670283333.db2.gz BMLABYKGSKJREN-UHFFFAOYSA-N 1 2 365.499 2.473 20 30 FEEDLO C=CC[N@H+](CC(=O)NC1CCN(C(=O)OCC)CC1)Cc1cccs1 ZINC000050274380 670283337 /nfs/dbraw/zinc/28/33/37/670283337.db2.gz BMLABYKGSKJREN-UHFFFAOYSA-N 1 2 365.499 2.473 20 30 FEEDLO CC[N@@H+]1CCN(S(=O)(=O)c2cccc(Br)c2C#N)[C@@H](C)C1 ZINC000570749366 670763614 /nfs/dbraw/zinc/76/36/14/670763614.db2.gz OPASUVWJFDJTTJ-NSHDSACASA-N 1 2 372.288 2.035 20 30 FEEDLO CC[N@H+]1CCN(S(=O)(=O)c2cccc(Br)c2C#N)[C@@H](C)C1 ZINC000570749366 670763617 /nfs/dbraw/zinc/76/36/17/670763617.db2.gz OPASUVWJFDJTTJ-NSHDSACASA-N 1 2 372.288 2.035 20 30 FEEDLO N#Cc1ccc(NC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)cc1F ZINC000574085854 671200535 /nfs/dbraw/zinc/20/05/35/671200535.db2.gz HJZLPYCNLWQUMA-KRWDZBQOSA-N 1 2 364.446 2.027 20 30 FEEDLO C[NH+](C)[C@H]1CCOc2c(NS(=O)(=O)c3ccc(C#N)nc3)cccc21 ZINC000574953850 671288496 /nfs/dbraw/zinc/28/84/96/671288496.db2.gz BQIMFEJAYJOHPG-INIZCTEOSA-N 1 2 358.423 2.139 20 30 FEEDLO N#Cc1ccc(S(=O)(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1Cl ZINC000609134779 675911407 /nfs/dbraw/zinc/91/14/07/675911407.db2.gz VTKPYQAWPDRMTL-CYBMUJFWSA-N 1 2 350.831 2.434 20 30 FEEDLO CCc1nc(CON=C(N)c2cccc(C[NH+]3CCOCC3)c2)cs1 ZINC000129167488 672058057 /nfs/dbraw/zinc/05/80/57/672058057.db2.gz LZHZUDQNKZWAGR-UHFFFAOYSA-N 1 2 360.483 2.375 20 30 FEEDLO C=C(Br)CNC(=O)N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000171241307 672330768 /nfs/dbraw/zinc/33/07/68/672330768.db2.gz AKJCZAISANDUGV-UHFFFAOYSA-N 1 2 368.275 2.431 20 30 FEEDLO CC[N@@H+]1CCN(S(=O)(=O)c2cc(Br)ccc2C#N)C[C@@H]1C ZINC000591327377 672670691 /nfs/dbraw/zinc/67/06/91/672670691.db2.gz KKXWFKRTPHFUNN-NSHDSACASA-N 1 2 372.288 2.035 20 30 FEEDLO CC[N@H+]1CCN(S(=O)(=O)c2cc(Br)ccc2C#N)C[C@@H]1C ZINC000591327377 672670693 /nfs/dbraw/zinc/67/06/93/672670693.db2.gz KKXWFKRTPHFUNN-NSHDSACASA-N 1 2 372.288 2.035 20 30 FEEDLO C=C(C)[C@H](CO)[N@H+](C)Cc1cn(-c2cccc(Br)c2)nn1 ZINC000684628766 672951337 /nfs/dbraw/zinc/95/13/37/672951337.db2.gz UAQIYLSYIAVZPQ-HNNXBMFYSA-N 1 2 351.248 2.399 20 30 FEEDLO C=C(C)[C@H](CO)[N@@H+](C)Cc1cn(-c2cccc(Br)c2)nn1 ZINC000684628766 672951339 /nfs/dbraw/zinc/95/13/39/672951339.db2.gz UAQIYLSYIAVZPQ-HNNXBMFYSA-N 1 2 351.248 2.399 20 30 FEEDLO N#Cc1cc(F)c(S(=O)(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c(F)c1 ZINC000594485091 673088949 /nfs/dbraw/zinc/08/89/49/673088949.db2.gz WCIXOFMHLHIGDK-GJZGRUSLSA-N 1 2 355.410 2.132 20 30 FEEDLO N#Cc1cc(F)c(S(=O)(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)c(F)c1 ZINC000594485091 673088954 /nfs/dbraw/zinc/08/89/54/673088954.db2.gz WCIXOFMHLHIGDK-GJZGRUSLSA-N 1 2 355.410 2.132 20 30 FEEDLO N#Cc1ccsc1N1CC[C@H]([NH2+][C@H](CO)c2ccc(F)cc2F)C1=O ZINC000595866548 673332184 /nfs/dbraw/zinc/33/21/84/673332184.db2.gz IRRKJNTTWKIATA-LSDHHAIUSA-N 1 2 363.389 2.326 20 30 FEEDLO C=CC[C@H](CO)CNC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000537111538 673382964 /nfs/dbraw/zinc/38/29/64/673382964.db2.gz BJARSQDWDYFZDD-ZLIFDBKOSA-N 1 2 353.413 2.194 20 30 FEEDLO C=CC[C@H](CO)CNC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000537111538 673382966 /nfs/dbraw/zinc/38/29/66/673382966.db2.gz BJARSQDWDYFZDD-ZLIFDBKOSA-N 1 2 353.413 2.194 20 30 FEEDLO Cn1ncc(C(F)(F)F)c1C[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000597129347 673450145 /nfs/dbraw/zinc/45/01/45/673450145.db2.gz IUYMAOWVWNWUJS-GFCCVEGCSA-N 1 2 351.332 2.359 20 30 FEEDLO Cn1ncc(C(F)(F)F)c1C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000597129347 673450147 /nfs/dbraw/zinc/45/01/47/673450147.db2.gz IUYMAOWVWNWUJS-GFCCVEGCSA-N 1 2 351.332 2.359 20 30 FEEDLO CCOC(=O)c1sc([C@@H](C)[NH2+]CC(=O)N[C@](C)(C#N)C(C)C)nc1C ZINC000542616289 673593458 /nfs/dbraw/zinc/59/34/58/673593458.db2.gz VGUCHHKVDGKANK-SJKOYZFVSA-N 1 2 366.487 2.333 20 30 FEEDLO COCC[N@H+](Cc1ccc(C(C)(C)C#N)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000614177309 676163227 /nfs/dbraw/zinc/16/32/27/676163227.db2.gz OVKFHXQXEQYCOI-QGZVFWFLSA-N 1 2 350.484 2.123 20 30 FEEDLO COCC[N@@H+](Cc1ccc(C(C)(C)C#N)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000614177309 676163228 /nfs/dbraw/zinc/16/32/28/676163228.db2.gz OVKFHXQXEQYCOI-QGZVFWFLSA-N 1 2 350.484 2.123 20 30 FEEDLO COc1cc(C#N)ccc1S(=O)(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000545212628 673752231 /nfs/dbraw/zinc/75/22/31/673752231.db2.gz MXKOJEXYTKVUJN-MRXNPFEDSA-N 1 2 357.435 2.032 20 30 FEEDLO COc1cc(C#N)ccc1S(=O)(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000545212628 673752232 /nfs/dbraw/zinc/75/22/32/673752232.db2.gz MXKOJEXYTKVUJN-MRXNPFEDSA-N 1 2 357.435 2.032 20 30 FEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC000545933489 673783749 /nfs/dbraw/zinc/78/37/49/673783749.db2.gz WAGLUSSHRBGNRS-KCXAZCMYSA-N 1 2 363.424 2.455 20 30 FEEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)NC3CC3)C2)c(OC(F)F)c1 ZINC000546213512 673797502 /nfs/dbraw/zinc/79/75/02/673797502.db2.gz GTXAKBGOHYOXDG-AWEZNQCLSA-N 1 2 350.369 2.196 20 30 FEEDLO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)NC3CC3)C2)c(OC(F)F)c1 ZINC000546213512 673797506 /nfs/dbraw/zinc/79/75/06/673797506.db2.gz GTXAKBGOHYOXDG-AWEZNQCLSA-N 1 2 350.369 2.196 20 30 FEEDLO N#Cc1ccsc1NC(=O)CN1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000603006593 673915277 /nfs/dbraw/zinc/91/52/77/673915277.db2.gz FNYLASFTYKMGAC-UHFFFAOYSA-N 1 2 356.451 2.082 20 30 FEEDLO C[C@]1(c2ccccc2)CC[N@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000567786222 675322794 /nfs/dbraw/zinc/32/27/94/675322794.db2.gz OPYAYAVRJCSLEP-IBGZPJMESA-N 1 2 355.463 2.391 20 30 FEEDLO C[C@]1(c2ccccc2)CC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000567786222 675322795 /nfs/dbraw/zinc/32/27/95/675322795.db2.gz OPYAYAVRJCSLEP-IBGZPJMESA-N 1 2 355.463 2.391 20 30 FEEDLO C=C[C@](C)(O)C(=O)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000821398375 675432923 /nfs/dbraw/zinc/43/29/23/675432923.db2.gz UOLKAXAKGHZWRO-INIZCTEOSA-N 1 2 358.360 2.166 20 30 FEEDLO COC(=O)C1(C#N)CC[NH+](Cc2ccc(Br)cc2O)CC1 ZINC000826064264 675680416 /nfs/dbraw/zinc/68/04/16/675680416.db2.gz HEPHTOIXNNNUFF-UHFFFAOYSA-N 1 2 353.216 2.433 20 30 FEEDLO CC(C)(CNC(=O)NCc1ccc(C#N)c(Cl)c1)[NH+]1CCOCC1 ZINC000619754012 676393478 /nfs/dbraw/zinc/39/34/78/676393478.db2.gz OJTQSMXOBDAMNV-UHFFFAOYSA-N 1 2 350.850 2.122 20 30 FEEDLO C=CCN(C)S(=O)(=O)c1ccc(NC(=O)CCCn2cc[nH+]c2)cc1 ZINC000623265171 676526873 /nfs/dbraw/zinc/52/68/73/676526873.db2.gz HFNFNNJWWLNGOF-UHFFFAOYSA-N 1 2 362.455 2.109 20 30 FEEDLO Cc1nn(C)c(Cl)c1C[N@H+](C)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000839586361 680763987 /nfs/dbraw/zinc/76/39/87/680763987.db2.gz NIULHJWOIUSKGG-HNNXBMFYSA-N 1 2 362.861 2.320 20 30 FEEDLO Cc1nn(C)c(Cl)c1C[N@@H+](C)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000839586361 680763988 /nfs/dbraw/zinc/76/39/88/680763988.db2.gz NIULHJWOIUSKGG-HNNXBMFYSA-N 1 2 362.861 2.320 20 30 FEEDLO C=CCn1c([C@@H]2C[N@H+](C)C[C@@H](C)O2)nnc1N(C[C@@H](C)OC)C(C)C ZINC000669013254 679215232 /nfs/dbraw/zinc/21/52/32/679215232.db2.gz YCYZONLSSNQODY-OAGGEKHMSA-N 1 2 351.495 2.105 20 30 FEEDLO C=CCn1c([C@@H]2C[N@@H+](C)C[C@@H](C)O2)nnc1N(C[C@@H](C)OC)C(C)C ZINC000669013254 679215234 /nfs/dbraw/zinc/21/52/34/679215234.db2.gz YCYZONLSSNQODY-OAGGEKHMSA-N 1 2 351.495 2.105 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[N@@H+](Cc2csnc2OC)CC1(C)C ZINC000975058311 680009470 /nfs/dbraw/zinc/00/94/70/680009470.db2.gz SCUQGGFYFOOORP-ILXRZTDVSA-N 1 2 365.499 2.069 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[N@H+](Cc2csnc2OC)CC1(C)C ZINC000975058311 680009475 /nfs/dbraw/zinc/00/94/75/680009475.db2.gz SCUQGGFYFOOORP-ILXRZTDVSA-N 1 2 365.499 2.069 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cc(OC)ns2)CC1(C)C ZINC000975064560 680011067 /nfs/dbraw/zinc/01/10/67/680011067.db2.gz NLUNJFGYLNBZBA-QLFBSQMISA-N 1 2 365.499 2.069 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cc(OC)ns2)CC1(C)C ZINC000975064560 680011072 /nfs/dbraw/zinc/01/10/72/680011072.db2.gz NLUNJFGYLNBZBA-QLFBSQMISA-N 1 2 365.499 2.069 20 30 FEEDLO C=CCn1nnn(C[N@@H+]2CCC[C@@H]2Cn2cnc3ccccc32)c1=S ZINC000755787448 680435904 /nfs/dbraw/zinc/43/59/04/680435904.db2.gz CTNFFZXNKCZWHB-CQSZACIVSA-N 1 2 355.471 2.467 20 30 FEEDLO C=CCn1nnn(C[N@H+]2CCC[C@@H]2Cn2cnc3ccccc32)c1=S ZINC000755787448 680435906 /nfs/dbraw/zinc/43/59/06/680435906.db2.gz CTNFFZXNKCZWHB-CQSZACIVSA-N 1 2 355.471 2.467 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[N@H+](Cc2cc(C)sc2C)CCO1 ZINC001035515409 680449218 /nfs/dbraw/zinc/44/92/18/680449218.db2.gz QRGZODOVRYIEQE-KSZLIROESA-N 1 2 364.511 2.273 20 30 FEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[N@@H+](Cc2cc(C)sc2C)CCO1 ZINC001035515409 680449219 /nfs/dbraw/zinc/44/92/19/680449219.db2.gz QRGZODOVRYIEQE-KSZLIROESA-N 1 2 364.511 2.273 20 30 FEEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[C@H]2c2cc(F)c(F)c(F)c2)C1 ZINC001035569667 680450762 /nfs/dbraw/zinc/45/07/62/680450762.db2.gz IMXACOCBFVTKLX-MELADBBJSA-N 1 2 354.372 2.210 20 30 FEEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[C@H]2c2cc(F)c(F)c(F)c2)C1 ZINC001035569667 680450766 /nfs/dbraw/zinc/45/07/66/680450766.db2.gz IMXACOCBFVTKLX-MELADBBJSA-N 1 2 354.372 2.210 20 30 FEEDLO CC([NH2+]Nc1ccccc1S(=O)(=O)N1CCOCC1)=C1CC1(F)F ZINC000841628181 680904060 /nfs/dbraw/zinc/90/40/60/680904060.db2.gz OYWUJHZKTUSXGC-LBPRGKRZSA-N 1 2 359.398 2.151 20 30 FEEDLO C#CC1CC[NH+](Cn2nc(N3CCOCC3)n(CC(C)C)c2=S)CC1 ZINC000842634407 680956091 /nfs/dbraw/zinc/95/60/91/680956091.db2.gz WKVQVHPFAHTQTJ-UHFFFAOYSA-N 1 2 363.531 2.209 20 30 FEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC001051254599 681066598 /nfs/dbraw/zinc/06/65/98/681066598.db2.gz KUDBOBBODHHSFD-CWRNSKLLSA-N 1 2 350.409 2.461 20 30 FEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC001051254599 681066600 /nfs/dbraw/zinc/06/66/00/681066600.db2.gz KUDBOBBODHHSFD-CWRNSKLLSA-N 1 2 350.409 2.461 20 30 FEEDLO CCCC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](Nc2snc(C)c2C#N)C1 ZINC001052718892 681083878 /nfs/dbraw/zinc/08/38/78/681083878.db2.gz RIGQUQDLYCRKCF-ZIAGYGMSSA-N 1 2 358.471 2.263 20 30 FEEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1)CO2 ZINC001053953116 681105626 /nfs/dbraw/zinc/10/56/26/681105626.db2.gz MBRKUFYRPNBCEG-FGTMMUONSA-N 1 2 358.869 2.426 20 30 FEEDLO N#Cc1sc(N[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)nc1Cl ZINC001059107726 681179087 /nfs/dbraw/zinc/17/90/87/681179087.db2.gz JKJHMGPARXGJCS-IVZWLZJFSA-N 1 2 362.846 2.208 20 30 FEEDLO N#Cc1sc(N[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)nc1Cl ZINC001059107726 681179088 /nfs/dbraw/zinc/17/90/88/681179088.db2.gz JKJHMGPARXGJCS-IVZWLZJFSA-N 1 2 362.846 2.208 20 30 FEEDLO CC[C@H](C(N)=O)[NH+]1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932944447 681332455 /nfs/dbraw/zinc/33/24/55/681332455.db2.gz VHWBSWNEGPVRSS-FSDSQADBSA-N 1 2 354.241 2.353 20 30 FEEDLO O=C(C[NH+]1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)NC1CC1 ZINC000932946534 681333631 /nfs/dbraw/zinc/33/36/31/681333631.db2.gz RLVLEQWMCXMUKW-YUMQZZPRSA-N 1 2 366.252 2.368 20 30 FEEDLO C=CCn1c(C)nn(C[N@@H+]2CC[C@]3(C2)c2ccccc2NC3=O)c1=S ZINC000777556888 681503239 /nfs/dbraw/zinc/50/32/39/681503239.db2.gz HXQFFUFSGZRUIC-SFHVURJKSA-N 1 2 355.467 2.462 20 30 FEEDLO C=CCn1c(C)nn(C[N@H+]2CC[C@]3(C2)c2ccccc2NC3=O)c1=S ZINC000777556888 681503244 /nfs/dbraw/zinc/50/32/44/681503244.db2.gz HXQFFUFSGZRUIC-SFHVURJKSA-N 1 2 355.467 2.462 20 30 FEEDLO C=C(Cl)C(C)(C)C(=O)N1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000950779791 681707585 /nfs/dbraw/zinc/70/75/85/681707585.db2.gz BMPLTZVENRJRLA-JHJVBQTASA-N 1 2 350.850 2.009 20 30 FEEDLO C=C(Cl)C(C)(C)C(=O)N1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000950779791 681707589 /nfs/dbraw/zinc/70/75/89/681707589.db2.gz BMPLTZVENRJRLA-JHJVBQTASA-N 1 2 350.850 2.009 20 30 FEEDLO C=CC[N@@H+](C[C@H]1CCCN1C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000779475929 681719253 /nfs/dbraw/zinc/71/92/53/681719253.db2.gz JKUAUBWELNMSGU-CABCVRRESA-N 1 2 358.504 2.061 20 30 FEEDLO C=CC[N@H+](C[C@H]1CCCN1C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000779475929 681719259 /nfs/dbraw/zinc/71/92/59/681719259.db2.gz JKUAUBWELNMSGU-CABCVRRESA-N 1 2 358.504 2.061 20 30 FEEDLO C=C(Cl)C(C)(C)C(=O)N1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000941161951 682108863 /nfs/dbraw/zinc/10/88/63/682108863.db2.gz JKQBSYAJBUJZBC-ZIAGYGMSSA-N 1 2 364.877 2.353 20 30 FEEDLO C=C(Cl)C(C)(C)C(=O)N1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000941161951 682108867 /nfs/dbraw/zinc/10/88/67/682108867.db2.gz JKQBSYAJBUJZBC-ZIAGYGMSSA-N 1 2 364.877 2.353 20 30 FEEDLO C[N@H+](CC(=O)[C@H](C#N)C(=O)NCc1cccc(Cl)c1)[C@H]1CCSC1 ZINC000786533172 682384104 /nfs/dbraw/zinc/38/41/04/682384104.db2.gz DWEOBMRZORXFLC-GJZGRUSLSA-N 1 2 365.886 2.102 20 30 FEEDLO C[N@@H+](CC(=O)[C@H](C#N)C(=O)NCc1cccc(Cl)c1)[C@H]1CCSC1 ZINC000786533172 682384110 /nfs/dbraw/zinc/38/41/10/682384110.db2.gz DWEOBMRZORXFLC-GJZGRUSLSA-N 1 2 365.886 2.102 20 30 FEEDLO C#CCCCOc1ccc[nH+]c1NC[C@H]1CCCCN1S(C)(=O)=O ZINC000853620573 682446629 /nfs/dbraw/zinc/44/66/29/682446629.db2.gz VTQQXLRIFHTYPB-OAHLLOKOSA-N 1 2 351.472 2.100 20 30 FEEDLO Cn1cc[nH+]c1NN=Cc1ccc(OCCN2CCOCC2)c(Cl)c1 ZINC000790299660 682666619 /nfs/dbraw/zinc/66/66/19/682666619.db2.gz HTLZKQWGNSTJRL-UHFFFAOYSA-N 1 2 363.849 2.231 20 30 FEEDLO C#CCC[C@H](O)CNC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000799181429 683434071 /nfs/dbraw/zinc/43/40/71/683434071.db2.gz JXAVPOHFNBSBJR-ZFWWWQNUSA-N 1 2 350.488 2.271 20 30 FEEDLO C#CCC[C@H](O)CNC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000799181429 683434077 /nfs/dbraw/zinc/43/40/77/683434077.db2.gz JXAVPOHFNBSBJR-ZFWWWQNUSA-N 1 2 350.488 2.271 20 30 FEEDLO O=C1C=C([NH2+]Nc2ccc(S(=O)(=O)C(F)(F)F)cc2)[C@@H]2CCCN12 ZINC000799475458 683458035 /nfs/dbraw/zinc/45/80/35/683458035.db2.gz CCPFCODXCKPFBT-LBPRGKRZSA-N 1 2 361.345 2.143 20 30 FEEDLO C=C(Cl)C[C@H]1NC(=O)N(CCNc2cc(C)[nH+]c(C(C)C)n2)C1=O ZINC000865311008 683966509 /nfs/dbraw/zinc/96/65/09/683966509.db2.gz GMFSQDQCKLCKPB-GFCCVEGCSA-N 1 2 351.838 2.383 20 30 FEEDLO C#CC[N@H+]1CCC[C@H](NC(=O)CCC(=O)CCC(=O)c2cccs2)C1 ZINC000923589594 684309838 /nfs/dbraw/zinc/30/98/38/684309838.db2.gz QTBKZKVGQNJAOP-HNNXBMFYSA-N 1 2 360.479 2.274 20 30 FEEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)CCC(=O)CCC(=O)c2cccs2)C1 ZINC000923589594 684309841 /nfs/dbraw/zinc/30/98/41/684309841.db2.gz QTBKZKVGQNJAOP-HNNXBMFYSA-N 1 2 360.479 2.274 20 30 FEEDLO C=CCSc1ccccc1NC(=O)C[NH2+][C@@H]1COCCC1(OC)OC ZINC000931665736 684323291 /nfs/dbraw/zinc/32/32/91/684323291.db2.gz ATWRFBMTVXJVHK-MRXNPFEDSA-N 1 2 366.483 2.271 20 30 FEEDLO C=CC[C@@H]1CCN(C(=O)NC2CC[NH+](CC(=O)OC(C)(C)C)CC2)C1 ZINC000869025597 684571886 /nfs/dbraw/zinc/57/18/86/684571886.db2.gz HYSJFXCMMZANPU-OAHLLOKOSA-N 1 2 351.491 2.400 20 30 FEEDLO C[C@@]1(C(F)(F)F)CC[N@@H+]([C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C1 ZINC000871598964 684832570 /nfs/dbraw/zinc/83/25/70/684832570.db2.gz FSQYLMWFBBZANR-CZUORRHYSA-N 1 2 351.328 2.464 20 30 FEEDLO C[C@@]1(C(F)(F)F)CC[N@H+]([C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C1 ZINC000871598964 684832573 /nfs/dbraw/zinc/83/25/73/684832573.db2.gz FSQYLMWFBBZANR-CZUORRHYSA-N 1 2 351.328 2.464 20 30 FEEDLO CC(=O)[C@@](C#N)(CC[N@@H+]1CCCC[C@H](S(C)(=O)=O)C1)c1ccccc1 ZINC000878519054 686600020 /nfs/dbraw/zinc/60/00/20/686600020.db2.gz ZJAAOHVGWRCQKD-OALUTQOASA-N 1 2 362.495 2.326 20 30 FEEDLO CC(=O)[C@@](C#N)(CC[N@H+]1CCCC[C@H](S(C)(=O)=O)C1)c1ccccc1 ZINC000878519054 686600027 /nfs/dbraw/zinc/60/00/27/686600027.db2.gz ZJAAOHVGWRCQKD-OALUTQOASA-N 1 2 362.495 2.326 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1C[C@H](NC(=O)OC(C)(C)C)C[C@H]1C ZINC000879221801 686773615 /nfs/dbraw/zinc/77/36/15/686773615.db2.gz LLBMZFSLHSFJAQ-HBUWYVDXSA-N 1 2 352.479 2.028 20 30 FEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1C[C@H](NC(=O)OC(C)(C)C)C[C@H]1C ZINC000879221801 686773619 /nfs/dbraw/zinc/77/36/19/686773619.db2.gz LLBMZFSLHSFJAQ-HBUWYVDXSA-N 1 2 352.479 2.028 20 30 FEEDLO CC(C)CC(=O)N1CCC[N@@H+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000879758776 686902182 /nfs/dbraw/zinc/90/21/82/686902182.db2.gz ZQSASHYJNQEVAD-QFBILLFUSA-N 1 2 350.507 2.010 20 30 FEEDLO CC(C)CC(=O)N1CCC[N@H+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000879758776 686902185 /nfs/dbraw/zinc/90/21/85/686902185.db2.gz ZQSASHYJNQEVAD-QFBILLFUSA-N 1 2 350.507 2.010 20 30 FEEDLO CC[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)[C@H](CO)c1ccccc1 ZINC000880464247 687051619 /nfs/dbraw/zinc/05/16/19/687051619.db2.gz QUYLVPIQURULSA-LJQANCHMSA-N 1 2 358.463 2.387 20 30 FEEDLO CC[N@@H+](CCS(=O)(=O)c1cccc(C#N)c1)[C@H](CO)c1ccccc1 ZINC000880464247 687051622 /nfs/dbraw/zinc/05/16/22/687051622.db2.gz QUYLVPIQURULSA-LJQANCHMSA-N 1 2 358.463 2.387 20 30 FEEDLO C#CCC1(O)CC[NH+](CC(=O)N(Cc2ccco2)CC(F)(F)F)CC1 ZINC000880477282 687052374 /nfs/dbraw/zinc/05/23/74/687052374.db2.gz DSYRRPODLVUIJB-UHFFFAOYSA-N 1 2 358.360 2.021 20 30 FEEDLO C#CCC1(O)CC[NH+](CC(=O)Nc2cc(Cl)c(OC)cc2OC)CC1 ZINC000880481760 687052691 /nfs/dbraw/zinc/05/26/91/687052691.db2.gz NNBQLUGENQZENY-UHFFFAOYSA-N 1 2 366.845 2.146 20 30 FEEDLO N#Cc1cc(NC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)c(F)cc1F ZINC000880714398 687077917 /nfs/dbraw/zinc/07/79/17/687077917.db2.gz PMHCQAGLOAKZAD-CYBMUJFWSA-N 1 2 350.369 2.165 20 30 FEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H](c1cccc(F)c1F)C(F)(F)F ZINC000884331934 687850732 /nfs/dbraw/zinc/85/07/32/687850732.db2.gz AXSMPDDEGIHRRN-GXFFZTMASA-N 1 2 366.286 2.131 20 30 FEEDLO N#CCCc1ccc(S(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000884873765 687954900 /nfs/dbraw/zinc/95/49/00/687954900.db2.gz PTYVFGQKOYERJG-UHFFFAOYSA-N 1 2 356.451 2.049 20 30 FEEDLO C=C(Br)C[NH2+]Cc1c(I)cnn1C ZINC000894241824 689492455 /nfs/dbraw/zinc/49/24/55/689492455.db2.gz MTLFKYBGMLTXSK-UHFFFAOYSA-N 1 2 356.005 2.023 20 30 FEEDLO N#Cc1sccc1N1CC[NH+]([C@H]2CCC3(C[C@H]2F)OCCO3)CC1 ZINC000895321161 689695586 /nfs/dbraw/zinc/69/55/86/689695586.db2.gz SSNNOKIBPGHVMV-KGLIPLIRSA-N 1 2 351.447 2.375 20 30 FEEDLO C#CC1(O)CC[NH+](Cc2c(Br)cc(OC)cc2OC)CC1 ZINC000895383660 689707476 /nfs/dbraw/zinc/70/74/76/689707476.db2.gz ZDQNTLVCORRBBF-UHFFFAOYSA-N 1 2 354.244 2.426 20 30 FEEDLO CCS(=O)(=O)NC1CC[NH+](CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000903006014 690830111 /nfs/dbraw/zinc/83/01/11/690830111.db2.gz HBLJMULMUIWGEW-UHFFFAOYSA-N 1 2 374.428 2.461 20 30 FEEDLO