smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C#CC(C)(C)[N@@H+]1CCC[NH2+][C@H](Cc2ccccc2)C1 ZINC000086298875 179269159 /nfs/dbraw/zinc/26/91/59/179269159.db2.gz SYIGFBAUAANERD-MRXNPFEDSA-N 2 1 256.393 2.305 10 30 CEEEMP C#CC(C)(C)[N@H+]1CCC[NH2+][C@H](Cc2ccccc2)C1 ZINC000086298875 179269161 /nfs/dbraw/zinc/26/91/61/179269161.db2.gz SYIGFBAUAANERD-MRXNPFEDSA-N 2 1 256.393 2.305 10 30 CEEEMP CC(C)N[C@](C)(C#N)CCCC[N@@H+](C)CCC[NH+](C)C ZINC000111144237 186359617 /nfs/dbraw/zinc/35/96/17/186359617.db2.gz QIYHIJXDVNZFAL-INIZCTEOSA-N 2 1 282.476 2.320 10 30 CEEEMP C[N@H+](Cc1ccc(C#CC[NH3+])s1)Cc1ccncc1 ZINC000043683739 175091808 /nfs/dbraw/zinc/09/18/08/175091808.db2.gz QBECSRBWZRJJEK-UHFFFAOYSA-N 2 1 271.389 2.085 10 30 CEEEMP C[N@@H+](Cc1ccc(C#CC[NH3+])s1)Cc1ccncc1 ZINC000043683739 175091810 /nfs/dbraw/zinc/09/18/10/175091810.db2.gz QBECSRBWZRJJEK-UHFFFAOYSA-N 2 1 271.389 2.085 10 30 CEEEMP CC[N@H+](Cc1cc(C#CC[NH3+])cs1)C[C@H]1CCCO1 ZINC000043688960 175095788 /nfs/dbraw/zinc/09/57/88/175095788.db2.gz VHPPAYQUEPEFOR-CQSZACIVSA-N 2 1 278.421 2.059 10 30 CEEEMP C[N@H+](CCCC[C@](C)(C#N)NC1CC1)C1CC[NH+](C)CC1 ZINC000045307923 175356575 /nfs/dbraw/zinc/35/65/75/175356575.db2.gz FMKQTLLYSGNUIF-QGZVFWFLSA-N 2 1 292.471 2.217 10 30 CEEEMP C[N@@H+](CCCC[C@](C)(C#N)NC1CC1)C1CC[NH+](C)CC1 ZINC000045307923 175356577 /nfs/dbraw/zinc/35/65/77/175356577.db2.gz FMKQTLLYSGNUIF-QGZVFWFLSA-N 2 1 292.471 2.217 10 30 CEEEMP C=CC[NH+](CC=C)CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052181533 175533619 /nfs/dbraw/zinc/53/36/19/175533619.db2.gz GZOPNXKTLAIUMP-UHFFFAOYSA-N 2 1 264.413 2.209 10 30 CEEEMP C[N@H+](Cc1ccc(F)cc1C#N)CC1CC[NH2+]CC1 ZINC000094024354 517934881 /nfs/dbraw/zinc/93/48/81/517934881.db2.gz DIMUXWBXWVDQJV-UHFFFAOYSA-N 2 1 261.344 2.129 10 30 CEEEMP C[C@@H](C[C@](C)(C#N)NC1CC1)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000068616228 524860396 /nfs/dbraw/zinc/86/03/96/524860396.db2.gz MSVCGIFORKKAGT-WMLDXEAASA-N 2 1 292.471 2.073 10 30 CEEEMP C[C@@H]1CCC[N@@H+](CCOc2cccc(C#CC[NH3+])c2)CC1 ZINC000110808321 186326527 /nfs/dbraw/zinc/32/65/27/186326527.db2.gz RRGVUDXAMDJZKS-MRXNPFEDSA-N 2 1 286.419 2.498 10 30 CEEEMP Cc1cc(NC[C@@H]2CCC[N@H+](C)C2)c(C#N)c(C)n1 ZINC000135064789 366391417 /nfs/dbraw/zinc/39/14/17/366391417.db2.gz JPKVHENVXGKBRG-ZDUSSCGKSA-N 2 1 258.369 2.324 10 30 CEEEMP CC(C)C[N@H+](CCN(C)C)Cc1ccc(C#CC[NH3+])s1 ZINC000043684263 175093300 /nfs/dbraw/zinc/09/33/00/175093300.db2.gz TVVMOCIXZZCVGC-UHFFFAOYSA-N 2 1 293.480 2.078 10 30 CEEEMP CC(C)C[N@@H+](CCN(C)C)Cc1ccc(C#CC[NH3+])s1 ZINC000043684263 175093302 /nfs/dbraw/zinc/09/33/02/175093302.db2.gz TVVMOCIXZZCVGC-UHFFFAOYSA-N 2 1 293.480 2.078 10 30 CEEEMP C[N@@H+](CCCOc1ccc(C#N)cc1)C[C@@H]1CC[NH+](C)C1 ZINC000071189133 176064537 /nfs/dbraw/zinc/06/45/37/176064537.db2.gz FWTJTCZBMMBTHK-INIZCTEOSA-N 2 1 287.407 2.211 10 30 CEEEMP C[NH+](CCCOc1ccc(C#N)cc1)C[C@@H]1CC[N@H+](C)C1 ZINC000071189133 176064538 /nfs/dbraw/zinc/06/45/38/176064538.db2.gz FWTJTCZBMMBTHK-INIZCTEOSA-N 2 1 287.407 2.211 10 30 CEEEMP C[NH+](CCCOc1ccc(C#N)cc1)C[C@@H]1CC[N@@H+](C)C1 ZINC000071189133 176064540 /nfs/dbraw/zinc/06/45/40/176064540.db2.gz FWTJTCZBMMBTHK-INIZCTEOSA-N 2 1 287.407 2.211 10 30 CEEEMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=[NH2+])NC(C)(C)C ZINC000160809679 264261998 /nfs/dbraw/zinc/26/19/98/264261998.db2.gz PVZKAGOIHCREMJ-CYBMUJFWSA-N 2 1 268.449 2.200 10 30 CEEEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CC(C)(C)CCC#N)CC1 ZINC000121155990 267567232 /nfs/dbraw/zinc/56/72/32/267567232.db2.gz LEJXCGJKQHEQBD-OAHLLOKOSA-N 2 1 295.471 2.341 10 30 CEEEMP CC[NH+]=C(NCC1CCC1)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000262017253 629441476 /nfs/dbraw/zinc/44/14/76/629441476.db2.gz YATOCPQRRXTPCL-DZGCQCFKSA-N 2 1 280.460 2.070 10 30 CEEEMP CC(C)C[N@H+](CCN(C)C)Cc1sccc1C#CC[NH3+] ZINC000043684264 175093152 /nfs/dbraw/zinc/09/31/52/175093152.db2.gz IIASHESBEKKIGS-UHFFFAOYSA-N 2 1 293.480 2.078 10 30 CEEEMP CC(C)C[N@@H+](CCN(C)C)Cc1sccc1C#CC[NH3+] ZINC000043684264 175093153 /nfs/dbraw/zinc/09/31/53/175093153.db2.gz IIASHESBEKKIGS-UHFFFAOYSA-N 2 1 293.480 2.078 10 30 CEEEMP CCO[C@H]1CCC[N@@H+](Cc2cc(C#CC[NH3+])cs2)C1 ZINC000043689073 175095416 /nfs/dbraw/zinc/09/54/16/175095416.db2.gz HCKWPBSFCVPCBZ-AWEZNQCLSA-N 2 1 278.421 2.059 10 30 CEEEMP C[NH+]=C(NCC(C)(C)[N@H+]1CCC[C@H](C)C1)N[C@@H]1C[C@H]1C ZINC000262831397 330034678 /nfs/dbraw/zinc/03/46/78/330034678.db2.gz RMBYRLFBLYFEDS-BFHYXJOUSA-N 2 1 280.460 2.070 10 30 CEEEMP C[C@@H](C[C@@](C)(C#N)NC1CC1)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000068616222 524849683 /nfs/dbraw/zinc/84/96/83/524849683.db2.gz MSVCGIFORKKAGT-YOEHRIQHSA-N 2 1 292.471 2.073 10 30 CEEEMP C=C(Br)C[NH+]1CCC(C[NH2+]C2CC2)CC1 ZINC000082645754 178141663 /nfs/dbraw/zinc/14/16/63/178141663.db2.gz VEVBLXQYQMTOEL-UHFFFAOYSA-N 2 1 273.218 2.359 10 30 CEEEMP CC[N@H+](Cc1sccc1C#CC[NH3+])C[C@H]1CCCO1 ZINC000043683828 175091922 /nfs/dbraw/zinc/09/19/22/175091922.db2.gz DNJUOZNSJZAPNA-CQSZACIVSA-N 2 1 278.421 2.059 10 30 CEEEMP CC[N@@H+](Cc1sccc1C#CC[NH3+])Cc1ccncc1 ZINC000043683874 175092234 /nfs/dbraw/zinc/09/22/34/175092234.db2.gz PXGNGRRIAPDELI-UHFFFAOYSA-N 2 1 285.416 2.475 10 30 CEEEMP C[N@H+](Cc1ccco1)Cc1cc(C#CC[NH3+])cs1 ZINC000043688910 175095729 /nfs/dbraw/zinc/09/57/29/175095729.db2.gz BGHGTBYGOGKTPK-UHFFFAOYSA-N 2 1 260.362 2.283 10 30 CEEEMP C[N@@H+](Cc1ccco1)Cc1cc(C#CC[NH3+])cs1 ZINC000043688910 175095730 /nfs/dbraw/zinc/09/57/30/175095730.db2.gz BGHGTBYGOGKTPK-UHFFFAOYSA-N 2 1 260.362 2.283 10 30 CEEEMP CCCN[C@@](C)(C#N)CCCC[NH+]1CCC([NH+](C)C)CC1 ZINC000045311157 175356292 /nfs/dbraw/zinc/35/62/92/175356292.db2.gz NMQYQAYOOCYAHP-QGZVFWFLSA-N 2 1 294.487 2.465 10 30 CEEEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CCCC(C)(C)C#N)CC1 ZINC000174849654 261199449 /nfs/dbraw/zinc/19/94/49/261199449.db2.gz SBPJPMNQAGWKSC-HNNXBMFYSA-N 2 1 295.471 2.341 10 30 CEEEMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@H]1CCC12CCCC2 ZINC000263269312 330051330 /nfs/dbraw/zinc/05/13/30/330051330.db2.gz OPSRHKUWHLWSLO-KGLIPLIRSA-N 2 1 278.444 2.098 10 30 CEEEMP CC[NH+]=C(NCC1CCC1)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000262017255 629441138 /nfs/dbraw/zinc/44/11/38/629441138.db2.gz YATOCPQRRXTPCL-UKRRQHHQSA-N 2 1 280.460 2.070 10 30 CEEEMP CCCN[C@@](C)(C#N)CCCC[N@@H+](C)CCC[NH+](C)C ZINC000111144232 186358827 /nfs/dbraw/zinc/35/88/27/186358827.db2.gz NTQIEMWWDCEMBO-MRXNPFEDSA-N 2 1 282.476 2.322 10 30 CEEEMP C[N@@H+](CCOc1ccc(C#CC[NH3+])cc1)CC(C)(C)C ZINC000045086726 175304177 /nfs/dbraw/zinc/30/41/77/175304177.db2.gz DYSXXCIBXXNKHH-UHFFFAOYSA-N 2 1 274.408 2.354 10 30 CEEEMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1c(C)nn(CC)c1C ZINC000328048877 330290365 /nfs/dbraw/zinc/29/03/65/330290365.db2.gz YWDSBKGAHMIEBZ-ZDUSSCGKSA-N 2 1 276.428 2.126 10 30 CEEEMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1c(C)nn(CC)c1C ZINC000328048877 330290366 /nfs/dbraw/zinc/29/03/66/330290366.db2.gz YWDSBKGAHMIEBZ-ZDUSSCGKSA-N 2 1 276.428 2.126 10 30 CEEEMP COc1cc(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)ccc1C#N ZINC000226467024 522357063 /nfs/dbraw/zinc/35/70/63/522357063.db2.gz KTGGMUJPDLHTOZ-OAHLLOKOSA-N 2 1 273.380 2.141 10 30 CEEEMP CCCCCCCCCON1C(=[NH2+])NC(=[NH2+])NC1(C)C ZINC000137190889 344386927 /nfs/dbraw/zinc/38/69/27/344386927.db2.gz CPUQZOMKEFNBJV-UHFFFAOYSA-N 2 1 283.420 2.350 10 30 CEEEMP C=CCCC[C@H]([NH2+]CC)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091722042 180240035 /nfs/dbraw/zinc/24/00/35/180240035.db2.gz PTSXFHCYNSNXRJ-QLFBSQMISA-N 2 1 252.402 2.184 10 30 CEEEMP C=CCCC[C@H]([NH2+]CC)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091722042 180240037 /nfs/dbraw/zinc/24/00/37/180240037.db2.gz PTSXFHCYNSNXRJ-QLFBSQMISA-N 2 1 252.402 2.184 10 30 CEEEMP C[N@H+](Cc1cc(C#CC[NH3+])cs1)C[C@@H]1CCCCO1 ZINC000043688955 175095296 /nfs/dbraw/zinc/09/52/96/175095296.db2.gz BDFNAMGLAAVVGW-AWEZNQCLSA-N 2 1 278.421 2.059 10 30 CEEEMP CC(C)N[C@@](C)(C#N)CCCC[NH+]1CCC([NH+](C)C)CC1 ZINC000045311163 175356650 /nfs/dbraw/zinc/35/66/50/175356650.db2.gz XELUCWNJIXHANP-QGZVFWFLSA-N 2 1 294.487 2.463 10 30 CEEEMP C[N@@H+](CCCOc1ccc(C#N)cc1)C[C@H]1CC[NH+](C)C1 ZINC000071189132 176064495 /nfs/dbraw/zinc/06/44/95/176064495.db2.gz FWTJTCZBMMBTHK-MRXNPFEDSA-N 2 1 287.407 2.211 10 30 CEEEMP C[NH+](CCCOc1ccc(C#N)cc1)C[C@H]1CC[N@H+](C)C1 ZINC000071189132 176064496 /nfs/dbraw/zinc/06/44/96/176064496.db2.gz FWTJTCZBMMBTHK-MRXNPFEDSA-N 2 1 287.407 2.211 10 30 CEEEMP C[NH+](CCCOc1ccc(C#N)cc1)C[C@H]1CC[N@@H+](C)C1 ZINC000071189132 176064497 /nfs/dbraw/zinc/06/44/97/176064497.db2.gz FWTJTCZBMMBTHK-MRXNPFEDSA-N 2 1 287.407 2.211 10 30 CEEEMP CC[N@H+](Cc1ccc(OC)c(C#CC[NH3+])c1)CC1CC1 ZINC000069238993 521323464 /nfs/dbraw/zinc/32/34/64/521323464.db2.gz LQLOMEMHOXHGAW-UHFFFAOYSA-N 2 1 272.392 2.237 10 30 CEEEMP CC(C)NC(=[NH2+])NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000303890876 623293508 /nfs/dbraw/zinc/29/35/08/623293508.db2.gz QGIKBTNZPDFYLR-MRXNPFEDSA-N 2 1 288.439 2.354 10 30 CEEEMP COc1ccc(C[NH2+]C[C@H]2CCc3[nH+]ccn3C2)cc1C#N ZINC000328632641 344757133 /nfs/dbraw/zinc/75/71/33/344757133.db2.gz LLZXGSZASCJDAN-CQSZACIVSA-N 2 1 296.374 2.116 10 30 CEEEMP CCC[N@@H+](Cc1ccnc(C#N)c1)C1CCC([NH3+])CC1 ZINC000091852580 180273257 /nfs/dbraw/zinc/27/32/57/180273257.db2.gz YRBPTFOWNDAMDL-UHFFFAOYSA-N 2 1 272.396 2.435 10 30 CEEEMP CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1cc(C#CC[NH3+])cs1 ZINC000043689015 175095315 /nfs/dbraw/zinc/09/53/15/175095315.db2.gz OUECPBZJTHMKIS-GXTWGEPZSA-N 2 1 278.421 2.058 10 30 CEEEMP CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1cc(C#CC[NH3+])cs1 ZINC000043689015 175095317 /nfs/dbraw/zinc/09/53/17/175095317.db2.gz OUECPBZJTHMKIS-GXTWGEPZSA-N 2 1 278.421 2.058 10 30 CEEEMP C=C(C)C[N@H+](CC)C[C@@H]1CC[C@H](C[NH2+]CCC)O1 ZINC000052423543 175535132 /nfs/dbraw/zinc/53/51/32/175535132.db2.gz ZJARLQDHCGOTEJ-CABCVRRESA-N 2 1 254.418 2.432 10 30 CEEEMP C[C@H](C[C@](C)(C#N)NC1CC1)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000068616233 524650848 /nfs/dbraw/zinc/65/08/48/524650848.db2.gz MSVCGIFORKKAGT-RHSMWYFYSA-N 2 1 292.471 2.073 10 30 CEEEMP C[N@@H+](Cc1ccc(C#N)cc1F)C1CCC([NH3+])CC1 ZINC000091846576 180270377 /nfs/dbraw/zinc/27/03/77/180270377.db2.gz JLJLCIHKRQEHME-UHFFFAOYSA-N 2 1 261.344 2.399 10 30 CEEEMP C[C@H]1C[N@@H+](Cc2ccc(C#CC[NH3+])cc2F)C[C@H]1C ZINC000092086986 180321439 /nfs/dbraw/zinc/32/14/39/180321439.db2.gz GKTXKTUWHZIWDC-BETUJISGSA-N 2 1 260.356 2.224 10 30 CEEEMP C[C@@H]1CCC[N@@H+](CCOc2ccc(C#CC[NH3+])cc2)CC1 ZINC000110808303 186326853 /nfs/dbraw/zinc/32/68/53/186326853.db2.gz FROKVWFTSYMMHV-MRXNPFEDSA-N 2 1 286.419 2.498 10 30 CEEEMP C=C(C)C[N@@H+]1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000195289152 395463910 /nfs/dbraw/zinc/46/39/10/395463910.db2.gz GKAANOJWEFDHQU-INIZCTEOSA-N 2 1 259.397 2.411 10 30 CEEEMP CC(C)N[C@](C)(C#N)CCCC[NH+]1CCC([NH+](C)C)CC1 ZINC000045311160 175356609 /nfs/dbraw/zinc/35/66/09/175356609.db2.gz XELUCWNJIXHANP-KRWDZBQOSA-N 2 1 294.487 2.463 10 30 CEEEMP CCCN[C@](C)(C#N)CCCC[NH+]1CCC([NH+](C)C)CC1 ZINC000045311153 175356807 /nfs/dbraw/zinc/35/68/07/175356807.db2.gz NMQYQAYOOCYAHP-KRWDZBQOSA-N 2 1 294.487 2.465 10 30 CEEEMP CCN[C@](C)(C#N)CCC[N@H+](C)C1CC[NH+](CC)CC1 ZINC000045317137 175358422 /nfs/dbraw/zinc/35/84/22/175358422.db2.gz REQSUPQAXLZQMA-INIZCTEOSA-N 2 1 280.460 2.074 10 30 CEEEMP CCN[C@](C)(C#N)CCC[N@@H+](C)C1CC[NH+](CC)CC1 ZINC000045317137 175358423 /nfs/dbraw/zinc/35/84/23/175358423.db2.gz REQSUPQAXLZQMA-INIZCTEOSA-N 2 1 280.460 2.074 10 30 CEEEMP CC1=CC[N@H+](CCNC(=[NH2+])Nc2cc(F)ccc2F)CC1 ZINC000262263057 330003069 /nfs/dbraw/zinc/00/30/69/330003069.db2.gz GVJSDJHPCUXLJA-UHFFFAOYSA-N 2 1 294.349 2.343 10 30 CEEEMP CC1=CC[N@@H+](CCNC(=[NH2+])Nc2cc(F)ccc2F)CC1 ZINC000262263057 330003071 /nfs/dbraw/zinc/00/30/71/330003071.db2.gz GVJSDJHPCUXLJA-UHFFFAOYSA-N 2 1 294.349 2.343 10 30 CEEEMP C[C@H](CC[NH+](C)C)[NH2+]Cc1cccc(OCC#N)c1 ZINC000049554010 524164799 /nfs/dbraw/zinc/16/47/99/524164799.db2.gz DLDQWADPNVFWHN-CYBMUJFWSA-N 2 1 261.369 2.019 10 30 CEEEMP C=CC[NH+](CC=C)C[C@]1(C[NH2+]C2CC2)CCCOC1 ZINC000111325088 186399272 /nfs/dbraw/zinc/39/92/72/186399272.db2.gz QVRAMWBDPZDVFQ-MRXNPFEDSA-N 2 1 264.413 2.209 10 30 CEEEMP CN[C@@](C)(C#N)CCC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000045313149 175356958 /nfs/dbraw/zinc/35/69/58/175356958.db2.gz NHLDIUXKJISBFR-QGZVFWFLSA-N 2 1 292.471 2.219 10 30 CEEEMP C[NH+]=C(NCC1CCCC1)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000262741819 262785549 /nfs/dbraw/zinc/78/55/49/262785549.db2.gz DULRHBVTYGMHOU-OAHLLOKOSA-N 2 1 292.471 2.359 10 30 CEEEMP CC[NH+]=C(NCC1(C)CC1)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000262396330 330012648 /nfs/dbraw/zinc/01/26/48/330012648.db2.gz MYXHZDFZCNBROS-AWEZNQCLSA-N 2 1 292.471 2.359 10 30 CEEEMP CC[NH+]=C(NC1CCC1)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000262784730 330031357 /nfs/dbraw/zinc/03/13/57/330031357.db2.gz MAGXOQXTOIRMJC-CQSZACIVSA-N 2 1 278.444 2.111 10 30 CEEEMP C=CC[NH+](CC=C)CC1(C[NH2+]CC)CCOCC1 ZINC000052181527 518769483 /nfs/dbraw/zinc/76/94/83/518769483.db2.gz MJZNBGOEJYTFGF-UHFFFAOYSA-N 2 1 252.402 2.067 10 30 CEEEMP CC[C@H](C)[N@@H+](CC)CCOc1ccc(C#CC[NH3+])cc1 ZINC000049608934 523934094 /nfs/dbraw/zinc/93/40/94/523934094.db2.gz GZYOUUGOWQTFAZ-HNNXBMFYSA-N 2 1 274.408 2.496 10 30 CEEEMP C=C(Cl)CNC(N[C@@H]1C[N@H+](C(C)C)C[C@H]1C)=[NH+]CC ZINC000261662578 628972861 /nfs/dbraw/zinc/97/28/61/628972861.db2.gz AYIIFFGTXJPVGG-DGCLKSJQSA-N 2 1 286.851 2.023 10 30 CEEEMP C[C@H]1CCC[N@@H+](CCOc2cccc(C#CC[NH3+])c2)CC1 ZINC000110808323 186325881 /nfs/dbraw/zinc/32/58/81/186325881.db2.gz RRGVUDXAMDJZKS-INIZCTEOSA-N 2 1 286.419 2.498 10 30 CEEEMP C[N@@H+](CCc1ccccn1)Cc1ccc(C#CC[NH3+])s1 ZINC000043683578 175091547 /nfs/dbraw/zinc/09/15/47/175091547.db2.gz PHBFGGSGPCXBSU-UHFFFAOYSA-N 2 1 285.416 2.128 10 30 CEEEMP CC(C)c1[nH+]ccn1Cc1sccc1C#CC[NH3+] ZINC000043684368 175093145 /nfs/dbraw/zinc/09/31/45/175093145.db2.gz IPEJCOSARJSQPH-UHFFFAOYSA-N 2 1 259.378 2.427 10 30 CEEEMP CC[N@H+](Cc1cc(C#CC[NH3+])cs1)C[C@@H]1CCCO1 ZINC000043688959 175095470 /nfs/dbraw/zinc/09/54/70/175095470.db2.gz VHPPAYQUEPEFOR-AWEZNQCLSA-N 2 1 278.421 2.059 10 30 CEEEMP C[C@H]1CCCC[N@H+]1CCOc1ccc(C#CC[NH3+])cc1 ZINC000049608388 526249878 /nfs/dbraw/zinc/24/98/78/526249878.db2.gz IKMDVOUASUDBHG-HNNXBMFYSA-N 2 1 272.392 2.250 10 30 CEEEMP N#Cc1cccc(C[N@@H+]2[C@@H]3CCC[C@H]2CC([NH3+])C3)c1 ZINC000054602202 526704569 /nfs/dbraw/zinc/70/45/69/526704569.db2.gz VDNBMQTVTYBYRW-MQVJKMGUSA-N 2 1 255.365 2.402 10 30 CEEEMP C=C(CC)C[C@H]([NH2+]CC)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721950 180240391 /nfs/dbraw/zinc/24/03/91/180240391.db2.gz BHNYIYPYXPQKJG-QLFBSQMISA-N 2 1 252.402 2.184 10 30 CEEEMP C=C(CC)C[C@H]([NH2+]CC)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091721950 180240395 /nfs/dbraw/zinc/24/03/95/180240395.db2.gz BHNYIYPYXPQKJG-QLFBSQMISA-N 2 1 252.402 2.184 10 30 CEEEMP CC[NH+](CC)CCC[NH2+]Cc1ccc(OCC#N)cc1 ZINC000034991384 171917993 /nfs/dbraw/zinc/91/79/93/171917993.db2.gz COYLRCLWMOXIAN-UHFFFAOYSA-N 2 1 275.396 2.410 10 30 CEEEMP COCC[N@@H+](Cc1sccc1C#CC[NH3+])[C@H](C)C1CC1 ZINC000043684234 175093157 /nfs/dbraw/zinc/09/31/57/175093157.db2.gz KGMMORNUBYWANS-CYBMUJFWSA-N 2 1 292.448 2.305 10 30 CEEEMP CC(C)N[C@@](C)(C#N)CCCC[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071190785 176067598 /nfs/dbraw/zinc/06/75/98/176067598.db2.gz YTVVFOLQMOVPJS-DLBZAZTESA-N 2 1 294.487 2.320 10 30 CEEEMP CC(C)N[C@@](C)(C#N)CCCC[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000071190785 176067599 /nfs/dbraw/zinc/06/75/99/176067599.db2.gz YTVVFOLQMOVPJS-DLBZAZTESA-N 2 1 294.487 2.320 10 30 CEEEMP CC(C)N[C@@](C)(C#N)CCCC[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071190785 176067600 /nfs/dbraw/zinc/06/76/00/176067600.db2.gz YTVVFOLQMOVPJS-DLBZAZTESA-N 2 1 294.487 2.320 10 30 CEEEMP CCC[N@@H+](CC)Cc1cc(C#CC[NH3+])ccc1OC ZINC000049608866 521613707 /nfs/dbraw/zinc/61/37/07/521613707.db2.gz YHKCPPYFOHUEOB-UHFFFAOYSA-N 2 1 260.381 2.237 10 30 CEEEMP CCC[N@@H+](CCOc1ccc(C#CC[NH3+])cc1)C1CC1 ZINC000049608963 521669502 /nfs/dbraw/zinc/66/95/02/521669502.db2.gz BREMELJSXPMBKS-UHFFFAOYSA-N 2 1 272.392 2.250 10 30 CEEEMP C[C@@H](C1CC1)[N@@H+](C)Cc1ccc(F)cc1C#CC[NH3+] ZINC000049609217 524320962 /nfs/dbraw/zinc/32/09/62/524320962.db2.gz QUVUYKQZWBRQER-LBPRGKRZSA-N 2 1 260.356 2.366 10 30 CEEEMP C[C@@H]1C[C@H](C)C[N@H+](CCOc2cccc(C#CC[NH3+])c2)C1 ZINC000049608637 525384138 /nfs/dbraw/zinc/38/41/38/525384138.db2.gz UPCZAGKAIPDVIO-IYBDPMFKSA-N 2 1 286.419 2.354 10 30 CEEEMP C[NH+]=C(NCCC1=CCCC1)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000261935056 629345843 /nfs/dbraw/zinc/34/58/43/629345843.db2.gz CGCLBEVFKHNBER-GOEBONIOSA-N 2 1 292.471 2.381 10 30 CEEEMP C[NH+]=C(NCC(C)(C)[N@H+]1CCC[C@H](C)C1)N[C@@H]1C[C@@H]1C ZINC000083909232 632225300 /nfs/dbraw/zinc/22/53/00/632225300.db2.gz RMBYRLFBLYFEDS-MELADBBJSA-N 2 1 280.460 2.070 10 30 CEEEMP C[NH+](C)CCC[N@H+](C)CCOc1ccc(CC#N)cc1 ZINC000111137120 186357702 /nfs/dbraw/zinc/35/77/02/186357702.db2.gz XCPAPPDUHMXHGK-UHFFFAOYSA-N 2 1 275.396 2.015 10 30 CEEEMP C[NH+](C)CCC[N@@H+](C)CCOc1ccc(CC#N)cc1 ZINC000111137120 186357703 /nfs/dbraw/zinc/35/77/03/186357703.db2.gz XCPAPPDUHMXHGK-UHFFFAOYSA-N 2 1 275.396 2.015 10 30 CEEEMP C=C(C)C[N@@H+]1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000195289142 395463992 /nfs/dbraw/zinc/46/39/92/395463992.db2.gz GKAANOJWEFDHQU-MRXNPFEDSA-N 2 1 259.397 2.411 10 30 CEEEMP CC[C@H](C)[N@@H+](CCOC)Cc1ccc(C#CC[NH3+])cc1F ZINC000042590482 174811691 /nfs/dbraw/zinc/81/16/91/174811691.db2.gz RNWQPPRJSJBGBH-AWEZNQCLSA-N 2 1 292.398 2.383 10 30 CEEEMP CC(C)N[C@](C)(C#N)CCCC[N@H+](C)C1CC[NH+](C)CC1 ZINC000045307918 175356719 /nfs/dbraw/zinc/35/67/19/175356719.db2.gz WTNCYWHRXRVMGD-KRWDZBQOSA-N 2 1 294.487 2.463 10 30 CEEEMP CC(C)N[C@](C)(C#N)CCCC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000045307918 175356720 /nfs/dbraw/zinc/35/67/20/175356720.db2.gz WTNCYWHRXRVMGD-KRWDZBQOSA-N 2 1 294.487 2.463 10 30 CEEEMP C=C(C)C[N@@H+](CC)CCn1cc(C[NH2+]C(C)(C)C)nn1 ZINC000052423420 518600089 /nfs/dbraw/zinc/60/00/89/518600089.db2.gz WHPDZONBCHRARY-UHFFFAOYSA-N 2 1 279.432 2.064 10 30 CEEEMP CC[N@@H+](CCOc1cccc(C#CC[NH3+])c1)CC(C)C ZINC000049608848 521149669 /nfs/dbraw/zinc/14/96/69/521149669.db2.gz YXKNAJQHMLBLNE-UHFFFAOYSA-N 2 1 274.408 2.354 10 30 CEEEMP CCC[N@@H+](CC)Cc1ccc(OC)c(C#CC[NH3+])c1 ZINC000049608867 521615461 /nfs/dbraw/zinc/61/54/61/521615461.db2.gz WISISHDEDNABAR-UHFFFAOYSA-N 2 1 260.381 2.237 10 30 CEEEMP C[C@H]1CCC[N@@H+](Cc2ccc(C#CC[NH3+])cc2F)C1 ZINC000049608470 524091338 /nfs/dbraw/zinc/09/13/38/524091338.db2.gz GIRVNXGHGNINGF-ZDUSSCGKSA-N 2 1 260.356 2.368 10 30 CEEEMP C[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2C#CC[NH3+])C1 ZINC000049608473 524235622 /nfs/dbraw/zinc/23/56/22/524235622.db2.gz OHBOMFCWHXMZFS-CYBMUJFWSA-N 2 1 260.356 2.368 10 30 CEEEMP N#C[C@@H](C[NH+]1CCC(CC[NH3+])CC1)c1ccccc1 ZINC000080787402 177706852 /nfs/dbraw/zinc/70/68/52/177706852.db2.gz TWRWVIUBVXVZQF-INIZCTEOSA-N 2 1 257.381 2.355 10 30 CEEEMP CCCO[C@H]1CCC[N@@H+](Cc2ccc(C#CC[NH3+])s2)C1 ZINC000043684099 175091637 /nfs/dbraw/zinc/09/16/37/175091637.db2.gz MUQSNXGMMZLPCZ-AWEZNQCLSA-N 2 1 292.448 2.449 10 30 CEEEMP CC[C@@H](C)[N@@H+](CCOC)Cc1sccc1C#CC[NH3+] ZINC000043684189 175092949 /nfs/dbraw/zinc/09/29/49/175092949.db2.gz DCCNQANMNLHDBT-CYBMUJFWSA-N 2 1 280.437 2.305 10 30 CEEEMP CC(C)C[N@@H+](CCN(C)C)Cc1cc(C#CC[NH3+])cs1 ZINC000043689133 175096289 /nfs/dbraw/zinc/09/62/89/175096289.db2.gz YZXPUPGNPLDMIT-UHFFFAOYSA-N 2 1 293.480 2.078 10 30 CEEEMP CC(C)CN(CC[NH+](C)C)Cc1cc(C#CC[NH3+])cs1 ZINC000043689133 175096290 /nfs/dbraw/zinc/09/62/90/175096290.db2.gz YZXPUPGNPLDMIT-UHFFFAOYSA-N 2 1 293.480 2.078 10 30 CEEEMP CC[N@H+](Cc1ccc(F)c(C#CC[NH3+])c1)CC1CC1 ZINC000069238985 521313094 /nfs/dbraw/zinc/31/30/94/521313094.db2.gz RZBQMJFVYKVZIP-UHFFFAOYSA-N 2 1 260.356 2.368 10 30 CEEEMP C[N@H+](Cc1ccc(F)c(C#CC[NH3+])c1)Cc1ccccn1 ZINC000049609246 523240065 /nfs/dbraw/zinc/24/00/65/523240065.db2.gz SPTSIWLTPOJLKN-UHFFFAOYSA-N 2 1 283.350 2.163 10 30 CEEEMP C[N@@H+](Cc1ccc(F)c(C#CC[NH3+])c1)Cc1ccccn1 ZINC000049609246 523240074 /nfs/dbraw/zinc/24/00/74/523240074.db2.gz SPTSIWLTPOJLKN-UHFFFAOYSA-N 2 1 283.350 2.163 10 30 CEEEMP C[N@@H+](Cc1ccncc1)Cc1ccccc1C#CC[NH3+] ZINC000049609299 523462357 /nfs/dbraw/zinc/46/23/57/523462357.db2.gz UKTIMFCXXOGPMM-UHFFFAOYSA-N 2 1 265.360 2.024 10 30 CEEEMP COc1ccc(C#CC[NH3+])cc1C[N@@H+](C)CCC(C)C ZINC000049609901 523514310 /nfs/dbraw/zinc/51/43/10/523514310.db2.gz BHYWBUCGGZGYTL-UHFFFAOYSA-N 2 1 274.408 2.483 10 30 CEEEMP C[C@H](C1CC1)[N@@H+](C)Cc1ccc(F)c(C#CC[NH3+])c1 ZINC000049609220 526204078 /nfs/dbraw/zinc/20/40/78/526204078.db2.gz GROGFHYMFQAQDL-GFCCVEGCSA-N 2 1 260.356 2.366 10 30 CEEEMP C[NH+]=C(NCCC1=CCCCC1)NC[C@H]1CCC[N@H+]1C ZINC000114067408 526354762 /nfs/dbraw/zinc/35/47/62/526354762.db2.gz DRCAKOGSROAAJC-OAHLLOKOSA-N 2 1 278.444 2.136 10 30 CEEEMP N#Cc1ccc([C@@H]2[C@@H](C[NH3+])CCC[N@H+]2C2CC2)cc1 ZINC000070279743 526687817 /nfs/dbraw/zinc/68/78/17/526687817.db2.gz QNPYDHQDNXADPC-GDBMZVCRSA-N 2 1 255.365 2.432 10 30 CEEEMP C[NH+]=C(NCC1(C2CC2)CC1)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000261972163 629406673 /nfs/dbraw/zinc/40/66/73/629406673.db2.gz NCDJIVXNINMXQQ-DZGCQCFKSA-N 2 1 292.471 2.070 10 30 CEEEMP C[N@@H+](C[C@H](C#N)c1ccccc1)C1CCC([NH3+])CC1 ZINC000091848035 180270827 /nfs/dbraw/zinc/27/08/27/180270827.db2.gz YMLRKXHPOQIZDE-FHERZECASA-N 2 1 257.381 2.495 10 30 CEEEMP COCC[N@@H+](Cc1sccc1C#CC[NH3+])[C@@H](C)C1CC1 ZINC000043684232 175093161 /nfs/dbraw/zinc/09/31/61/175093161.db2.gz KGMMORNUBYWANS-ZDUSSCGKSA-N 2 1 292.448 2.305 10 30 CEEEMP CC[N@@H+](CCOc1ccc(C#CC[NH3+])cc1)C(C)C ZINC000049608893 521150963 /nfs/dbraw/zinc/15/09/63/521150963.db2.gz IEPVJQWCHWYAJR-UHFFFAOYSA-N 2 1 260.381 2.106 10 30 CEEEMP C[N@@H+](Cc1ccncc1)Cc1cccc(C#CC[NH3+])c1 ZINC000049609302 523463416 /nfs/dbraw/zinc/46/34/16/523463416.db2.gz KUYULTOPCWQXLR-UHFFFAOYSA-N 2 1 265.360 2.024 10 30 CEEEMP COC[C@H]1C[N@@H+](Cc2cccc(C#N)c2)CC12CC[NH2+]CC2 ZINC000169789796 344483024 /nfs/dbraw/zinc/48/30/24/344483024.db2.gz OLNKPYAXGHWRAY-QGZVFWFLSA-N 2 1 299.418 2.006 10 30 CEEEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CC(C)(C)CCC#N)CC1 ZINC000121155856 394793164 /nfs/dbraw/zinc/79/31/64/394793164.db2.gz LEJXCGJKQHEQBD-HNNXBMFYSA-N 2 1 295.471 2.341 10 30 CEEEMP CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1sccc1C#CC[NH3+] ZINC000043683984 175091757 /nfs/dbraw/zinc/09/17/57/175091757.db2.gz XOCYGZSFEBVBFR-OCCSQVGLSA-N 2 1 278.421 2.058 10 30 CEEEMP CC[C@H]1CO[C@H](C)C[N@H+]1Cc1sccc1C#CC[NH3+] ZINC000043683984 175091759 /nfs/dbraw/zinc/09/17/59/175091759.db2.gz XOCYGZSFEBVBFR-OCCSQVGLSA-N 2 1 278.421 2.058 10 30 CEEEMP CCO[C@H]1CCC[N@@H+](Cc2ccc(C#CC[NH3+])s2)C1 ZINC000043684106 175092674 /nfs/dbraw/zinc/09/26/74/175092674.db2.gz XBZGHLYFUCQVHC-ZDUSSCGKSA-N 2 1 278.421 2.059 10 30 CEEEMP CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1cc(C#CC[NH3+])cs1 ZINC000043689013 175095692 /nfs/dbraw/zinc/09/56/92/175095692.db2.gz OUECPBZJTHMKIS-TZMCWYRMSA-N 2 1 278.421 2.058 10 30 CEEEMP CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1cc(C#CC[NH3+])cs1 ZINC000043689013 175095693 /nfs/dbraw/zinc/09/56/93/175095693.db2.gz OUECPBZJTHMKIS-TZMCWYRMSA-N 2 1 278.421 2.058 10 30 CEEEMP CC(C)N[C@@](C)(C#N)CCC[N@H+](C)C1CC[NH+](C)CC1 ZINC000045307884 175356689 /nfs/dbraw/zinc/35/66/89/175356689.db2.gz KCWHHNUPDIKLEF-MRXNPFEDSA-N 2 1 280.460 2.073 10 30 CEEEMP CC(C)N[C@@](C)(C#N)CCC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000045307884 175356690 /nfs/dbraw/zinc/35/66/90/175356690.db2.gz KCWHHNUPDIKLEF-MRXNPFEDSA-N 2 1 280.460 2.073 10 30 CEEEMP CC(C)[C@H](C)[N@@H+](C)CCOc1cccc(C#CC[NH3+])c1 ZINC000049609232 519811767 /nfs/dbraw/zinc/81/17/67/519811767.db2.gz OBINKDGOFCZURK-HNNXBMFYSA-N 2 1 274.408 2.352 10 30 CEEEMP C=CC[NH+](CC=C)C[C@@]1(C[NH2+]C(C)C)CCOC1 ZINC000051216366 518770683 /nfs/dbraw/zinc/77/06/83/518770683.db2.gz ANCIRIHKFZYWMS-HNNXBMFYSA-N 2 1 252.402 2.065 10 30 CEEEMP CC(C)c1[nH+]ccn1Cc1ccc(C#CC[NH3+])cc1 ZINC000049610131 519880347 /nfs/dbraw/zinc/88/03/47/519880347.db2.gz ZFENSIKGKYMJEM-UHFFFAOYSA-N 2 1 253.349 2.365 10 30 CEEEMP C[N@@H+](Cc1ccc(C#CC[NH3+])cc1F)[C@@H]1CCSC1 ZINC000049609005 523204980 /nfs/dbraw/zinc/20/49/80/523204980.db2.gz IFBAIWQIWGQRKS-CQSZACIVSA-N 2 1 278.396 2.073 10 30 CEEEMP C[N@@H+](Cc1cccc(C#CC[NH3+])c1)Cc1ccccn1 ZINC000049609244 523290985 /nfs/dbraw/zinc/29/09/85/523290985.db2.gz YAAKIXMHNGHFMA-UHFFFAOYSA-N 2 1 265.360 2.024 10 30 CEEEMP C[N@@H+](Cc1ccco1)Cc1ccc(C#CC[NH3+])cc1 ZINC000049609117 523436023 /nfs/dbraw/zinc/43/60/23/523436023.db2.gz ZUVRQHIDLYWSJB-UHFFFAOYSA-N 2 1 254.333 2.222 10 30 CEEEMP COc1ccc(C#CC[NH3+])cc1C[N@@H+](C)[C@H](C)C(C)C ZINC000049609227 523512591 /nfs/dbraw/zinc/51/25/91/523512591.db2.gz FQAOTHHVNOHWQU-CQSZACIVSA-N 2 1 274.408 2.482 10 30 CEEEMP COc1ccc(C#CC[NH3+])cc1Cn1cc[nH+]c1C(C)C ZINC000049610132 523517035 /nfs/dbraw/zinc/51/70/35/523517035.db2.gz FPTMAYJYAPLDBB-UHFFFAOYSA-N 2 1 283.375 2.374 10 30 CEEEMP COc1ccc(C[N@@H+](C)[C@@H](C)C2CC2)cc1C#CC[NH3+] ZINC000049609209 524009923 /nfs/dbraw/zinc/00/99/23/524009923.db2.gz HSLUUFVGKSGSNW-ZDUSSCGKSA-N 2 1 272.392 2.236 10 30 CEEEMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C#CC[NH3+])C1 ZINC000049608625 525386611 /nfs/dbraw/zinc/38/66/11/525386611.db2.gz ZNSVOAPHHKXACA-GASCZTMLSA-N 2 1 256.393 2.475 10 30 CEEEMP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ccnc(C#N)c1 ZINC000068751470 526249496 /nfs/dbraw/zinc/24/94/96/526249496.db2.gz SHXLWPNUNYAPHP-AWEZNQCLSA-N 2 1 272.396 2.307 10 30 CEEEMP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccnc(C#N)c1 ZINC000068751470 526249500 /nfs/dbraw/zinc/24/95/00/526249500.db2.gz SHXLWPNUNYAPHP-AWEZNQCLSA-N 2 1 272.396 2.307 10 30 CEEEMP CC[NH+]=C(NC[C@H](C)[N@H+]1CCCC[C@@H]1C)N[C@@H]1C[C@@H]1C ZINC000083898762 625093938 /nfs/dbraw/zinc/09/39/38/625093938.db2.gz GGWXNIIOKYCKQD-ZQDZILKHSA-N 2 1 280.460 2.213 10 30 CEEEMP Cc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1C#N ZINC000600707381 346674377 /nfs/dbraw/zinc/67/43/77/346674377.db2.gz HHPRRDYHJGJYQT-IMJJTQAJSA-N 2 1 255.365 2.036 10 30 CEEEMP Cc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1C#N ZINC000600707379 346674486 /nfs/dbraw/zinc/67/44/86/346674486.db2.gz HHPRRDYHJGJYQT-BPUTZDHNSA-N 2 1 255.365 2.036 10 30 CEEEMP C=CCC[C@H]([NH2+]CCC)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091722292 180239622 /nfs/dbraw/zinc/23/96/22/180239622.db2.gz ZIQXSQRZLIYCBM-ILXRZTDVSA-N 2 1 252.402 2.184 10 30 CEEEMP C=CCC[C@H]([NH2+]CCC)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091722292 180239624 /nfs/dbraw/zinc/23/96/24/180239624.db2.gz ZIQXSQRZLIYCBM-ILXRZTDVSA-N 2 1 252.402 2.184 10 30 CEEEMP C[N@@H+](CCOc1ccc(C#N)cc1)C1CCC([NH3+])CC1 ZINC000091847540 180271216 /nfs/dbraw/zinc/27/12/16/180271216.db2.gz GZXSXTNCIYQYQU-UHFFFAOYSA-N 2 1 273.380 2.139 10 30 CEEEMP C=CCC[C@H](O)C[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000246076081 370905843 /nfs/dbraw/zinc/90/58/43/370905843.db2.gz YPDKXCBIBORESX-HOTGVXAUSA-N 2 1 289.423 2.451 10 30 CEEEMP C=CCC[C@H](O)C[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000246076081 370905847 /nfs/dbraw/zinc/90/58/47/370905847.db2.gz YPDKXCBIBORESX-HOTGVXAUSA-N 2 1 289.423 2.451 10 30 CEEEMP C[N@@H+](CCOc1cccc(C#CC[NH3+])c1)CC(C)(C)C ZINC000045086737 175304378 /nfs/dbraw/zinc/30/43/78/175304378.db2.gz TVPPDBAJESERRZ-UHFFFAOYSA-N 2 1 274.408 2.354 10 30 CEEEMP CCCC[N@@H+](C)CCOc1cccc(C#CC[NH3+])c1 ZINC000049608547 520412220 /nfs/dbraw/zinc/41/22/20/520412220.db2.gz YOMQTYBZCZPLEM-UHFFFAOYSA-N 2 1 260.381 2.108 10 30 CEEEMP CC[C@@H](C)C[N@@H+](C)Cc1cc(C#CC[NH3+])ccc1OC ZINC000049609019 521972132 /nfs/dbraw/zinc/97/21/32/521972132.db2.gz YFWBOVMOFDEHRI-CQSZACIVSA-N 2 1 274.408 2.483 10 30 CEEEMP C[N@H+](Cc1ccco1)Cc1ccc(F)cc1C#CC[NH3+] ZINC000049609123 523436576 /nfs/dbraw/zinc/43/65/76/523436576.db2.gz FVPATUDVHHHDMR-UHFFFAOYSA-N 2 1 272.323 2.361 10 30 CEEEMP C[N@@H+](Cc1ccco1)Cc1ccc(F)cc1C#CC[NH3+] ZINC000049609123 523436586 /nfs/dbraw/zinc/43/65/86/523436586.db2.gz FVPATUDVHHHDMR-UHFFFAOYSA-N 2 1 272.323 2.361 10 30 CEEEMP CC[C@H](C)[N@@H+](C)Cc1ccc(OC)c(C#CC[NH3+])c1 ZINC000049608832 523922734 /nfs/dbraw/zinc/92/27/34/523922734.db2.gz AVQIPXVXWPDXFG-ZDUSSCGKSA-N 2 1 260.381 2.236 10 30 CEEEMP COc1ccc(Cn2cc[nH+]c2C(C)C)cc1C#CC[NH3+] ZINC000049610133 524261733 /nfs/dbraw/zinc/26/17/33/524261733.db2.gz AFWOCNALXVMPFU-UHFFFAOYSA-N 2 1 283.375 2.374 10 30 CEEEMP CCCC[N@@H+](C)CCOc1ccc(C#CC[NH3+])cc1 ZINC000049608542 520409649 /nfs/dbraw/zinc/40/96/49/520409649.db2.gz LXIDDQXLNLPYKM-UHFFFAOYSA-N 2 1 260.381 2.108 10 30 CEEEMP C[N@@H+](Cc1ccc(C#CC[NH3+])cc1)Cc1cccnc1 ZINC000049609284 523203900 /nfs/dbraw/zinc/20/39/00/523203900.db2.gz XRMNFKAFURWCQX-UHFFFAOYSA-N 2 1 265.360 2.024 10 30 CEEEMP C[N@@H+](Cc1ccc(F)c(C#CC[NH3+])c1)[C@@H]1CCSC1 ZINC000049609011 523239493 /nfs/dbraw/zinc/23/94/93/523239493.db2.gz LWPHNTONLGYUDR-CQSZACIVSA-N 2 1 278.396 2.073 10 30 CEEEMP COc1ccc(C#CC[NH3+])cc1C[N@@H+](C)[C@@H](C)C1CC1 ZINC000049609207 523513459 /nfs/dbraw/zinc/51/34/59/523513459.db2.gz GJWGNYPVPXDRBW-ZDUSSCGKSA-N 2 1 272.392 2.236 10 30 CEEEMP COc1ccc(C#CC[NH3+])cc1C[N@H+](C)Cc1ccco1 ZINC000049609118 523514283 /nfs/dbraw/zinc/51/42/83/523514283.db2.gz FUYOSTBMSKLNTM-UHFFFAOYSA-N 2 1 284.359 2.230 10 30 CEEEMP COc1ccc(C#CC[NH3+])cc1C[N@@H+](C)Cc1ccco1 ZINC000049609118 523514288 /nfs/dbraw/zinc/51/42/88/523514288.db2.gz FUYOSTBMSKLNTM-UHFFFAOYSA-N 2 1 284.359 2.230 10 30 CEEEMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ccnc(C#N)c1 ZINC000068751469 524106659 /nfs/dbraw/zinc/10/66/59/524106659.db2.gz SHXLWPNUNYAPHP-CQSZACIVSA-N 2 1 272.396 2.307 10 30 CEEEMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccnc(C#N)c1 ZINC000068751469 524106673 /nfs/dbraw/zinc/10/66/73/524106673.db2.gz SHXLWPNUNYAPHP-CQSZACIVSA-N 2 1 272.396 2.307 10 30 CEEEMP C[NH+]=C(NCc1cccs1)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000261937295 629346193 /nfs/dbraw/zinc/34/61/93/629346193.db2.gz CSAMTBNRYZHZLH-TZMCWYRMSA-N 2 1 294.468 2.142 10 30 CEEEMP N#Cc1ccc(C[NH2+]C[C@H]2CCc3[nH+]ccn3C2)s1 ZINC000328636580 344757632 /nfs/dbraw/zinc/75/76/32/344757632.db2.gz OCVNZHUFICVLBE-LLVKDONJSA-N 2 1 272.377 2.168 10 30 CEEEMP CC[NH+](CC)CCN[C@@]1(C#N)CCC[N@H+](C(C)C)CC1 ZINC000086849273 179357671 /nfs/dbraw/zinc/35/76/71/179357671.db2.gz OSYGUHLENXZVOQ-INIZCTEOSA-N 2 1 280.460 2.074 10 30 CEEEMP CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1sccc1C#CC[NH3+] ZINC000043683988 175092458 /nfs/dbraw/zinc/09/24/58/175092458.db2.gz XOCYGZSFEBVBFR-JSGCOSHPSA-N 2 1 278.421 2.058 10 30 CEEEMP CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1sccc1C#CC[NH3+] ZINC000043683988 175092460 /nfs/dbraw/zinc/09/24/60/175092460.db2.gz XOCYGZSFEBVBFR-JSGCOSHPSA-N 2 1 278.421 2.058 10 30 CEEEMP [NH3+]CC#Cc1ccsc1C[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000043684283 175093364 /nfs/dbraw/zinc/09/33/64/175093364.db2.gz CTUATRNCSYGAEE-LSDHHAIUSA-N 2 1 290.432 2.202 10 30 CEEEMP [NH3+]CC#Cc1ccsc1C[N@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000043684283 175093365 /nfs/dbraw/zinc/09/33/65/175093365.db2.gz CTUATRNCSYGAEE-LSDHHAIUSA-N 2 1 290.432 2.202 10 30 CEEEMP CCCN[C@](C)(C#N)CCC[N@H+](C)C1CC[NH+](C)CC1 ZINC000045307875 175356432 /nfs/dbraw/zinc/35/64/32/175356432.db2.gz AIJZXSVCXXLHTH-INIZCTEOSA-N 2 1 280.460 2.074 10 30 CEEEMP CCCN[C@](C)(C#N)CCC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000045307875 175356434 /nfs/dbraw/zinc/35/64/34/175356434.db2.gz AIJZXSVCXXLHTH-INIZCTEOSA-N 2 1 280.460 2.074 10 30 CEEEMP CC[NH+]1CCC([N@H+](C)CCC[C@@](C)(C#N)NC2CC2)CC1 ZINC000045317162 175357890 /nfs/dbraw/zinc/35/78/90/175357890.db2.gz ABNLZIRXEZBQLB-KRWDZBQOSA-N 2 1 292.471 2.217 10 30 CEEEMP CC[NH+]1CCC([N@@H+](C)CCC[C@@](C)(C#N)NC2CC2)CC1 ZINC000045317162 175357892 /nfs/dbraw/zinc/35/78/92/175357892.db2.gz ABNLZIRXEZBQLB-KRWDZBQOSA-N 2 1 292.471 2.217 10 30 CEEEMP CC(C)[C@@H](C)[N@@H+](C)CCOc1ccc(C#CC[NH3+])cc1 ZINC000049609221 519791085 /nfs/dbraw/zinc/79/10/85/519791085.db2.gz YFLALYRLCIHTOB-OAHLLOKOSA-N 2 1 274.408 2.352 10 30 CEEEMP C[N@@H+](CCc1ccncc1)Cc1ccccc1C#CC[NH3+] ZINC000049609395 522978492 /nfs/dbraw/zinc/97/84/92/522978492.db2.gz CGPRVKAWDHAWIT-UHFFFAOYSA-N 2 1 279.387 2.066 10 30 CEEEMP CC[C@@H]1CCC[N@H+]1CCOc1ccc(C#CC[NH3+])cc1 ZINC000049608258 523266634 /nfs/dbraw/zinc/26/66/34/523266634.db2.gz SMDUWCDUGMMFHF-MRXNPFEDSA-N 2 1 272.392 2.250 10 30 CEEEMP CC[C@H](C)[N@@H+](CC)CCOc1cccc(C#CC[NH3+])c1 ZINC000049608944 523934655 /nfs/dbraw/zinc/93/46/55/523934655.db2.gz XLPAHAOARCBMPP-HNNXBMFYSA-N 2 1 274.408 2.496 10 30 CEEEMP COc1ccc(C[N@H+]2CCCC[C@H]2C)cc1C#CC[NH3+] ZINC000049608395 524026646 /nfs/dbraw/zinc/02/66/46/524026646.db2.gz ASYKZXDZXUVAEK-CQSZACIVSA-N 2 1 272.392 2.380 10 30 CEEEMP C[C@@H]1CCC[N@@H+](Cc2ccc(C#CC[NH3+])cc2F)C1 ZINC000049608469 524232605 /nfs/dbraw/zinc/23/26/05/524232605.db2.gz GIRVNXGHGNINGF-CYBMUJFWSA-N 2 1 260.356 2.368 10 30 CEEEMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2ccccc2OCC#N)C1 ZINC000040622884 174356102 /nfs/dbraw/zinc/35/61/02/174356102.db2.gz UTNRYHMPLBNYAJ-OAHLLOKOSA-N 2 1 287.407 2.409 10 30 CEEEMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccccc2OCC#N)C1 ZINC000040622884 174356103 /nfs/dbraw/zinc/35/61/03/174356103.db2.gz UTNRYHMPLBNYAJ-OAHLLOKOSA-N 2 1 287.407 2.409 10 30 CEEEMP CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1ccc(C#CC[NH3+])s1 ZINC000043683980 175092452 /nfs/dbraw/zinc/09/24/52/175092452.db2.gz IEEANJQYYGGUBS-STQMWFEESA-N 2 1 278.421 2.058 10 30 CEEEMP CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1ccc(C#CC[NH3+])s1 ZINC000043683980 175092454 /nfs/dbraw/zinc/09/24/54/175092454.db2.gz IEEANJQYYGGUBS-STQMWFEESA-N 2 1 278.421 2.058 10 30 CEEEMP CC(C)N[C@@](C)(C#N)CCC[NH+]1CCC([NH+](C)C)CC1 ZINC000045311120 175356729 /nfs/dbraw/zinc/35/67/29/175356729.db2.gz HXHVKRBLAUARHQ-MRXNPFEDSA-N 2 1 280.460 2.073 10 30 CEEEMP C[NH+]=C(NCC1(C)CC1)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000262340246 330007036 /nfs/dbraw/zinc/00/70/36/330007036.db2.gz CMAPZZLNJKIHKU-HNNXBMFYSA-N 2 1 292.471 2.216 10 30 CEEEMP CC(C)c1[nH+]ccn1CCOc1cccc(C#CC[NH3+])c1 ZINC000049610134 519879463 /nfs/dbraw/zinc/87/94/63/519879463.db2.gz OEDWFUNKGBXQKU-UHFFFAOYSA-N 2 1 283.375 2.396 10 30 CEEEMP CC[C@@H](C)[N@@H+](CC)CCOc1cccc(C#CC[NH3+])c1 ZINC000049608943 522081567 /nfs/dbraw/zinc/08/15/67/522081567.db2.gz XLPAHAOARCBMPP-OAHLLOKOSA-N 2 1 274.408 2.496 10 30 CEEEMP C[N@H+](Cc1ccc(C#CC[NH3+])cc1F)C[C@H]1CCCCO1 ZINC000049609526 523203119 /nfs/dbraw/zinc/20/31/19/523203119.db2.gz HUAQZFXPRJFDAK-MRXNPFEDSA-N 2 1 290.382 2.137 10 30 CEEEMP COC[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)CC12CC[NH2+]CC2 ZINC000169789795 344483009 /nfs/dbraw/zinc/48/30/09/344483009.db2.gz OLNKPYAXGHWRAY-KRWDZBQOSA-N 2 1 299.418 2.006 10 30 CEEEMP CCCN[C@](C)(C#N)CCCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000090907045 180061356 /nfs/dbraw/zinc/06/13/56/180061356.db2.gz JKBNWUURGQEARG-XHSDSOJGSA-N 2 1 279.428 2.302 10 30 CEEEMP CCCN[C@](C)(C#N)CCCCN1C[C@H]2CC[C@@H](C1)O2 ZINC000090907045 180061357 /nfs/dbraw/zinc/06/13/57/180061357.db2.gz JKBNWUURGQEARG-XHSDSOJGSA-N 2 1 279.428 2.302 10 30 CEEEMP CC(C)c1[nH+]ccn1Cc1ccc(C#CC[NH3+])s1 ZINC000043684366 175092651 /nfs/dbraw/zinc/09/26/51/175092651.db2.gz FWGAIBPTCPVEMM-UHFFFAOYSA-N 2 1 259.378 2.427 10 30 CEEEMP [NH3+]CC#Cc1ccc(C[N@@H+]2CCO[C@H]3CCCC[C@@H]32)s1 ZINC000043684279 175093184 /nfs/dbraw/zinc/09/31/84/175093184.db2.gz CTFOBZLMJTTZCV-HOTGVXAUSA-N 2 1 290.432 2.202 10 30 CEEEMP [NH3+]CC#Cc1ccc(C[N@H+]2CCO[C@H]3CCCC[C@@H]32)s1 ZINC000043684279 175093185 /nfs/dbraw/zinc/09/31/85/175093185.db2.gz CTFOBZLMJTTZCV-HOTGVXAUSA-N 2 1 290.432 2.202 10 30 CEEEMP C[N@H+](Cc1cc(C#CC[NH3+])cs1)Cc1cccnc1 ZINC000043688928 175095271 /nfs/dbraw/zinc/09/52/71/175095271.db2.gz NMZJEVDNHVVNGO-UHFFFAOYSA-N 2 1 271.389 2.085 10 30 CEEEMP C[N@@H+](Cc1cc(C#CC[NH3+])cs1)Cc1cccnc1 ZINC000043688928 175095274 /nfs/dbraw/zinc/09/52/74/175095274.db2.gz NMZJEVDNHVVNGO-UHFFFAOYSA-N 2 1 271.389 2.085 10 30 CEEEMP CCC(CC)[N@@H+](CCO)Cc1cc(C#CC[NH3+])cs1 ZINC000043689095 175095820 /nfs/dbraw/zinc/09/58/20/175095820.db2.gz XLNYBQSPCOBSRQ-UHFFFAOYSA-N 2 1 280.437 2.041 10 30 CEEEMP COc1ccc(C#CC[NH3+])cc1C[N@@H+](C)CC(C)(C)C ZINC000045086732 175304468 /nfs/dbraw/zinc/30/44/68/175304468.db2.gz IMJYDFBYMFLCSE-UHFFFAOYSA-N 2 1 274.408 2.483 10 30 CEEEMP CCN[C@@](C)(C#N)CCC[N@H+](C)C1CC[NH+](CC)CC1 ZINC000045317142 175358080 /nfs/dbraw/zinc/35/80/80/175358080.db2.gz REQSUPQAXLZQMA-MRXNPFEDSA-N 2 1 280.460 2.074 10 30 CEEEMP CCN[C@@](C)(C#N)CCC[N@@H+](C)C1CC[NH+](CC)CC1 ZINC000045317142 175358082 /nfs/dbraw/zinc/35/80/82/175358082.db2.gz REQSUPQAXLZQMA-MRXNPFEDSA-N 2 1 280.460 2.074 10 30 CEEEMP C[NH+]=C(NC[C@@H]1CCC[N@H+]1C)N1CCC2(C1)CCCCC2 ZINC000262480635 330016715 /nfs/dbraw/zinc/01/67/15/330016715.db2.gz RIEFKGPEZAITJO-HNNXBMFYSA-N 2 1 292.471 2.312 10 30 CEEEMP C[N@H+](Cc1ccc(F)cc1C#CC[NH3+])C[C@@H]1CCCCO1 ZINC000049609531 523254439 /nfs/dbraw/zinc/25/44/39/523254439.db2.gz YHOUGSVCKXUZGZ-KRWDZBQOSA-N 2 1 290.382 2.137 10 30 CEEEMP C[C@H]1C[N@@H+](Cc2ccc(F)c(C#CC[NH3+])c2)C[C@H]1C ZINC000092087004 180320958 /nfs/dbraw/zinc/32/09/58/180320958.db2.gz VMKHTXNOULCWCI-BETUJISGSA-N 2 1 260.356 2.224 10 30 CEEEMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2ccccc2OCC#N)C1 ZINC000040622887 174355927 /nfs/dbraw/zinc/35/59/27/174355927.db2.gz UTNRYHMPLBNYAJ-HNNXBMFYSA-N 2 1 287.407 2.409 10 30 CEEEMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccccc2OCC#N)C1 ZINC000040622887 174355928 /nfs/dbraw/zinc/35/59/28/174355928.db2.gz UTNRYHMPLBNYAJ-HNNXBMFYSA-N 2 1 287.407 2.409 10 30 CEEEMP C=CC[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](CCO)CC1 ZINC000657943150 415135135 /nfs/dbraw/zinc/13/51/35/415135135.db2.gz JIQDMNGVEUMTPF-ZBFHGGJFSA-N 2 1 266.429 2.168 10 30 CEEEMP C=CC[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+](CCO)CC1 ZINC000657943147 415136587 /nfs/dbraw/zinc/13/65/87/415136587.db2.gz JIQDMNGVEUMTPF-GDBMZVCRSA-N 2 1 266.429 2.168 10 30 CEEEMP CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1cc(C#CC[NH3+])cs1 ZINC000043689014 175096108 /nfs/dbraw/zinc/09/61/08/175096108.db2.gz OUECPBZJTHMKIS-OCCSQVGLSA-N 2 1 278.421 2.058 10 30 CEEEMP CC[C@H]1CO[C@H](C)C[N@H+]1Cc1cc(C#CC[NH3+])cs1 ZINC000043689014 175096109 /nfs/dbraw/zinc/09/61/09/175096109.db2.gz OUECPBZJTHMKIS-OCCSQVGLSA-N 2 1 278.421 2.058 10 30 CEEEMP CC[NH+]1CCC([N@H+](C)CCCC[C@](C)(C#N)NC)CC1 ZINC000045317182 175358190 /nfs/dbraw/zinc/35/81/90/175358190.db2.gz MOJKKHLLHDHKTA-MRXNPFEDSA-N 2 1 280.460 2.074 10 30 CEEEMP CC[NH+]1CCC([N@@H+](C)CCCC[C@](C)(C#N)NC)CC1 ZINC000045317182 175358191 /nfs/dbraw/zinc/35/81/91/175358191.db2.gz MOJKKHLLHDHKTA-MRXNPFEDSA-N 2 1 280.460 2.074 10 30 CEEEMP CC[C@@H](C)[N@@H+](C)Cc1cc(C#CC[NH3+])ccc1OC ZINC000049608829 522064408 /nfs/dbraw/zinc/06/44/08/522064408.db2.gz LMVXSEKLQRGDMI-CYBMUJFWSA-N 2 1 260.381 2.236 10 30 CEEEMP CCC[N@@H+](Cc1ccc(OC)c(C#CC[NH3+])c1)C1CC1 ZINC000049608967 521684067 /nfs/dbraw/zinc/68/40/67/521684067.db2.gz HTDFELQIWJGVJC-UHFFFAOYSA-N 2 1 272.392 2.380 10 30 CEEEMP C[N@H+](Cc1cccnc1)Cc1ccc(F)cc1C#CC[NH3+] ZINC000049609287 523417773 /nfs/dbraw/zinc/41/77/73/523417773.db2.gz GLPVPPIGMQSGTJ-UHFFFAOYSA-N 2 1 283.350 2.163 10 30 CEEEMP C[N@@H+](Cc1cccnc1)Cc1ccc(F)cc1C#CC[NH3+] ZINC000049609287 523417783 /nfs/dbraw/zinc/41/77/83/523417783.db2.gz GLPVPPIGMQSGTJ-UHFFFAOYSA-N 2 1 283.350 2.163 10 30 CEEEMP COc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1C#CC[NH3+] ZINC000049608465 524027664 /nfs/dbraw/zinc/02/76/64/524027664.db2.gz WLRVIUICGKHZRA-CQSZACIVSA-N 2 1 272.392 2.237 10 30 CEEEMP C=C(Br)C[N@H+](C)C1CCC([NH2+]C)CC1 ZINC000085873501 179194391 /nfs/dbraw/zinc/19/43/91/179194391.db2.gz UKNCNOGRKSWBMS-UHFFFAOYSA-N 2 1 261.207 2.357 10 30 CEEEMP C#C[C@H](C)[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000306717036 376553934 /nfs/dbraw/zinc/55/39/34/376553934.db2.gz GXVWJKXLSKDQIF-CGTJXYLNSA-N 2 1 268.404 2.462 10 30 CEEEMP C#C[C@H](C)[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000306717036 376553943 /nfs/dbraw/zinc/55/39/43/376553943.db2.gz GXVWJKXLSKDQIF-CGTJXYLNSA-N 2 1 268.404 2.462 10 30 CEEEMP C#C[C@H](C)[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000306717036 376553947 /nfs/dbraw/zinc/55/39/47/376553947.db2.gz GXVWJKXLSKDQIF-CGTJXYLNSA-N 2 1 268.404 2.462 10 30 CEEEMP C=CC[C@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](CCO)CC1 ZINC000657943149 415135635 /nfs/dbraw/zinc/13/56/35/415135635.db2.gz JIQDMNGVEUMTPF-HOCLYGCPSA-N 2 1 266.429 2.168 10 30 CEEEMP C[N@H+](Cc1cc(C#CC[NH3+])cs1)C[C@H]1CCCCO1 ZINC000043688956 175095329 /nfs/dbraw/zinc/09/53/29/175095329.db2.gz BDFNAMGLAAVVGW-CQSZACIVSA-N 2 1 278.421 2.059 10 30 CEEEMP CCCN[C@@](C)(C#N)CCC[N@H+](C)C1CC[NH+](C)CC1 ZINC000045307878 175356519 /nfs/dbraw/zinc/35/65/19/175356519.db2.gz AIJZXSVCXXLHTH-MRXNPFEDSA-N 2 1 280.460 2.074 10 30 CEEEMP CCCN[C@@](C)(C#N)CCC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000045307878 175356520 /nfs/dbraw/zinc/35/65/20/175356520.db2.gz AIJZXSVCXXLHTH-MRXNPFEDSA-N 2 1 280.460 2.074 10 30 CEEEMP CC[N@H+](Cc1ccc(C#CC[NH3+])cc1F)C[C@H]1CCCO1 ZINC000049609561 521299121 /nfs/dbraw/zinc/29/91/21/521299121.db2.gz MCHFAYNQLRFAJC-MRXNPFEDSA-N 2 1 290.382 2.137 10 30 CEEEMP CC[C@@H](C)[N@@H+](C)CCOc1ccc(C#CC[NH3+])cc1 ZINC000049608823 522058890 /nfs/dbraw/zinc/05/88/90/522058890.db2.gz RMALEIWJOQVUER-CQSZACIVSA-N 2 1 260.381 2.106 10 30 CEEEMP COc1cc(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)ccc1C#N ZINC000226467028 522359397 /nfs/dbraw/zinc/35/93/97/522359397.db2.gz KTGGMUJPDLHTOZ-HNNXBMFYSA-N 2 1 273.380 2.141 10 30 CEEEMP C[N@@H+](Cc1ccc(F)c(C#CC[NH3+])c1)[C@H]1CCSC1 ZINC000049609012 523239579 /nfs/dbraw/zinc/23/95/79/523239579.db2.gz LWPHNTONLGYUDR-AWEZNQCLSA-N 2 1 278.396 2.073 10 30 CEEEMP C[C@@H]1C[C@H](C)C[N@H+](Cc2cccc(C#CC[NH3+])c2)C1 ZINC000049608643 525384790 /nfs/dbraw/zinc/38/47/90/525384790.db2.gz AGCPTCFBOJEGGF-GASCZTMLSA-N 2 1 256.393 2.475 10 30 CEEEMP C[N@@H+](Cc1ccc(C#N)c(F)c1)C[C@@H]1CC[NH+](C)C1 ZINC000403996242 529983560 /nfs/dbraw/zinc/98/35/60/529983560.db2.gz LGPKKFFIUKVULD-CYBMUJFWSA-N 2 1 261.344 2.081 10 30 CEEEMP C[N@H+](Cc1ccc(C#N)c(F)c1)C[C@@H]1CC[NH+](C)C1 ZINC000403996242 529983561 /nfs/dbraw/zinc/98/35/61/529983561.db2.gz LGPKKFFIUKVULD-CYBMUJFWSA-N 2 1 261.344 2.081 10 30 CEEEMP C[NH+](Cc1ccc(C#N)c(F)c1)C[C@@H]1CC[N@H+](C)C1 ZINC000403996242 529983562 /nfs/dbraw/zinc/98/35/62/529983562.db2.gz LGPKKFFIUKVULD-CYBMUJFWSA-N 2 1 261.344 2.081 10 30 CEEEMP C[NH+](Cc1ccc(C#N)c(F)c1)C[C@@H]1CC[N@@H+](C)C1 ZINC000403996242 529983564 /nfs/dbraw/zinc/98/35/64/529983564.db2.gz LGPKKFFIUKVULD-CYBMUJFWSA-N 2 1 261.344 2.081 10 30 CEEEMP C[NH+]=C(NCC1(C)CC1)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000262340249 330006999 /nfs/dbraw/zinc/00/69/99/330006999.db2.gz CMAPZZLNJKIHKU-OAHLLOKOSA-N 2 1 292.471 2.216 10 30 CEEEMP CC(C)CC[N@@H+](C)CCOc1ccc(C#CC[NH3+])cc1 ZINC000049609898 519651152 /nfs/dbraw/zinc/65/11/52/519651152.db2.gz CXBYPGUIHGOPJJ-UHFFFAOYSA-N 2 1 274.408 2.354 10 30 CEEEMP CC[N@@H+](Cc1cc(C#CC[NH3+])ccc1OC)C(C)C ZINC000049608896 521285297 /nfs/dbraw/zinc/28/52/97/521285297.db2.gz KPXLONWAPCPKKY-UHFFFAOYSA-N 2 1 260.381 2.236 10 30 CEEEMP CC[N@H+](Cc1ccc(C#CC[NH3+])cc1F)C[C@@H]1CCCO1 ZINC000049609560 521298284 /nfs/dbraw/zinc/29/82/84/521298284.db2.gz MCHFAYNQLRFAJC-INIZCTEOSA-N 2 1 290.382 2.137 10 30 CEEEMP C[N@@H+](CCc1ccncc1)Cc1cccc(C#CC[NH3+])c1 ZINC000049609397 522977781 /nfs/dbraw/zinc/97/77/81/522977781.db2.gz RABZCXZRMZTNAK-UHFFFAOYSA-N 2 1 279.387 2.066 10 30 CEEEMP COc1ccc(C#CC[NH3+])cc1C[N@H+]1CCCC[C@@H]1C ZINC000049608394 523513500 /nfs/dbraw/zinc/51/35/00/523513500.db2.gz NCMSXCYBOORNRU-AWEZNQCLSA-N 2 1 272.392 2.380 10 30 CEEEMP C[C@H](C[C@@](C)(C#N)NC1CC1)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000068616224 524628545 /nfs/dbraw/zinc/62/85/45/524628545.db2.gz MSVCGIFORKKAGT-PBHICJAKSA-N 2 1 292.471 2.073 10 30 CEEEMP CC[NH+]=C(NC[C@@H]1CCC[N@H+]1C)N1CC[C@@](C)(CC)C1 ZINC000261788110 629231666 /nfs/dbraw/zinc/23/16/66/629231666.db2.gz PZYHLLFSJUBIFX-GOEBONIOSA-N 2 1 280.460 2.168 10 30 CEEEMP COc1ccc(NC(=[NH2+])NC[C@H]2CCC[N@H+]2C)cc1Cl ZINC000262007280 629429195 /nfs/dbraw/zinc/42/91/95/629429195.db2.gz RYBQHBGPRLZWJS-LLVKDONJSA-N 2 1 296.802 2.169 10 30 CEEEMP CC(C)N[C@@](C)(C#N)CCCC[N@@H+](C)CCC[NH+](C)C ZINC000111144241 186358862 /nfs/dbraw/zinc/35/88/62/186358862.db2.gz QIYHIJXDVNZFAL-MRXNPFEDSA-N 2 1 282.476 2.320 10 30 CEEEMP CC[C@H](C)[N@@H+](CCOC)Cc1cc(C#CC[NH3+])cs1 ZINC000043689105 175095756 /nfs/dbraw/zinc/09/57/56/175095756.db2.gz UJXZEYFAYFVDTN-ZDUSSCGKSA-N 2 1 280.437 2.305 10 30 CEEEMP C[C@H]([NH3+])C1CC[NH+](Cc2ccc(F)cc2C#N)CC1 ZINC000104142196 185910738 /nfs/dbraw/zinc/91/07/38/185910738.db2.gz LACILESUZRHEKN-NSHDSACASA-N 2 1 261.344 2.257 10 30 CEEEMP CC(C)N[C@](C)(C#N)CCCC[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071190784 176067757 /nfs/dbraw/zinc/06/77/57/176067757.db2.gz YTVVFOLQMOVPJS-IRXDYDNUSA-N 2 1 294.487 2.320 10 30 CEEEMP CC(C)N[C@](C)(C#N)CCCC[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000071190784 176067758 /nfs/dbraw/zinc/06/77/58/176067758.db2.gz YTVVFOLQMOVPJS-IRXDYDNUSA-N 2 1 294.487 2.320 10 30 CEEEMP CC(C)N[C@](C)(C#N)CCCC[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071190784 176067759 /nfs/dbraw/zinc/06/77/59/176067759.db2.gz YTVVFOLQMOVPJS-IRXDYDNUSA-N 2 1 294.487 2.320 10 30 CEEEMP CC(C)N[C@](C)(C#N)C[C@@H](C)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000068616268 519739111 /nfs/dbraw/zinc/73/91/11/519739111.db2.gz UITIBGYXJXQSIC-WBVHZDCISA-N 2 1 294.487 2.319 10 30 CEEEMP CC[N@H+](Cc1ccc(F)c(C#CC[NH3+])c1)C[C@H]1CCCO1 ZINC000049609567 521312176 /nfs/dbraw/zinc/31/21/76/521312176.db2.gz HOCIFHOJNCEPKG-MRXNPFEDSA-N 2 1 290.382 2.137 10 30 CEEEMP N#Cc1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2CC([NH3+])C3)cc1 ZINC000054602192 526618220 /nfs/dbraw/zinc/61/82/20/526618220.db2.gz FJYFIAKYUSRSMN-MQVJKMGUSA-N 2 1 255.365 2.402 10 30 CEEEMP C=C(Cl)CNC(N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C)=[NH+]CC ZINC000261662580 628972712 /nfs/dbraw/zinc/97/27/12/628972712.db2.gz AYIIFFGTXJPVGG-WCQYABFASA-N 2 1 286.851 2.023 10 30 CEEEMP C[NH+]=C(NCC1(C2CC2)CC1)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000261972164 629406803 /nfs/dbraw/zinc/40/68/03/629406803.db2.gz NCDJIVXNINMXQQ-UKRRQHHQSA-N 2 1 292.471 2.070 10 30 CEEEMP C#CC(C)(C)[N@@H+]1CCC[NH2+][C@@H](Cc2ccccc2)C1 ZINC000086298877 179268665 /nfs/dbraw/zinc/26/86/65/179268665.db2.gz SYIGFBAUAANERD-INIZCTEOSA-N 2 1 256.393 2.305 10 30 CEEEMP C#CC(C)(C)[N@H+]1CCC[NH2+][C@@H](Cc2ccccc2)C1 ZINC000086298877 179268666 /nfs/dbraw/zinc/26/86/66/179268666.db2.gz SYIGFBAUAANERD-INIZCTEOSA-N 2 1 256.393 2.305 10 30 CEEEMP COc1ccc(C[N@@H+](C)C2CCC([NH3+])CC2)cc1C#N ZINC000091844738 180269351 /nfs/dbraw/zinc/26/93/51/180269351.db2.gz NRYUKFJAUYNWLZ-UHFFFAOYSA-N 2 1 273.380 2.269 10 30 CEEEMP [NH3+]CC#Cc1csc(C[N@@H+]2CCO[C@H]3CCCC[C@@H]32)c1 ZINC000043689141 175096302 /nfs/dbraw/zinc/09/63/02/175096302.db2.gz WIRMKLBMVJZCSS-HOTGVXAUSA-N 2 1 290.432 2.202 10 30 CEEEMP [NH3+]CC#Cc1csc(C[N@H+]2CCO[C@H]3CCCC[C@@H]32)c1 ZINC000043689141 175096304 /nfs/dbraw/zinc/09/63/04/175096304.db2.gz WIRMKLBMVJZCSS-HOTGVXAUSA-N 2 1 290.432 2.202 10 30 CEEEMP CC[C@@H](C)[N@@H+](C)Cc1ccc(OC)c(C#CC[NH3+])c1 ZINC000049608831 522064850 /nfs/dbraw/zinc/06/48/50/522064850.db2.gz AVQIPXVXWPDXFG-CYBMUJFWSA-N 2 1 260.381 2.236 10 30 CEEEMP CC[N@@H+](Cc1ccncc1)Cc1ccc(C#CC[NH3+])cc1 ZINC000049609653 521420532 /nfs/dbraw/zinc/42/05/32/521420532.db2.gz SXXIEMJRSIQHMG-UHFFFAOYSA-N 2 1 279.387 2.414 10 30 CEEEMP C[N@@H+](Cc1cccnc1)Cc1ccccc1C#CC[NH3+] ZINC000049609283 523417200 /nfs/dbraw/zinc/41/72/00/523417200.db2.gz ZWTNDDJYTRITSO-UHFFFAOYSA-N 2 1 265.360 2.024 10 30 CEEEMP COc1ccc(C#CC[NH3+])cc1C[N@@H+](C)[C@@H](C)C(C)C ZINC000049609228 523513416 /nfs/dbraw/zinc/51/34/16/523513416.db2.gz FQAOTHHVNOHWQU-AWEZNQCLSA-N 2 1 274.408 2.482 10 30 CEEEMP C[C@@H]1CCC[N@@H+](CCOc2cccc(C#CC[NH3+])c2)C1 ZINC000049608467 524230114 /nfs/dbraw/zinc/23/01/14/524230114.db2.gz JZLWJVDVTXPNPE-OAHLLOKOSA-N 2 1 272.392 2.108 10 30 CEEEMP CCC1(CC)CCN(C(NC[C@H]2CCC[N@H+]2C)=[NH+]C)C1 ZINC000261937261 629346308 /nfs/dbraw/zinc/34/63/08/629346308.db2.gz CRSJDGRAHWEKFS-CQSZACIVSA-N 2 1 280.460 2.168 10 30 CEEEMP Cc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1C#N ZINC000600707382 346674448 /nfs/dbraw/zinc/67/44/48/346674448.db2.gz HHPRRDYHJGJYQT-NUEKZKHPSA-N 2 1 255.365 2.036 10 30 CEEEMP Cc1cccc(NC[C@H]2CC[N@H+](CCCC#N)C2)[nH+]1 ZINC000195516186 370135329 /nfs/dbraw/zinc/13/53/29/370135329.db2.gz RPHVVUJCMUXBLR-CQSZACIVSA-N 2 1 258.369 2.428 10 30 CEEEMP Cc1cccc(NC[C@H]2CC[N@@H+](CCCC#N)C2)[nH+]1 ZINC000195516186 370135336 /nfs/dbraw/zinc/13/53/36/370135336.db2.gz RPHVVUJCMUXBLR-CQSZACIVSA-N 2 1 258.369 2.428 10 30 CEEEMP COCC[N@H+](CCCC[C@](C)([NH3+])C#N)CC(C)C ZINC000045315004 175357464 /nfs/dbraw/zinc/35/74/64/175357464.db2.gz UQZNVAQIHGAJJX-AWEZNQCLSA-N 2 1 255.406 2.002 10 30 CEEEMP COCC[N@@H+](CCCC[C@](C)([NH3+])C#N)CC(C)C ZINC000045315004 175357465 /nfs/dbraw/zinc/35/74/65/175357465.db2.gz UQZNVAQIHGAJJX-AWEZNQCLSA-N 2 1 255.406 2.002 10 30 CEEEMP COCC[N@H+](CCCC[C@](C)([NH3+])C#N)[C@@H](C)C1CC1 ZINC000045317434 175358372 /nfs/dbraw/zinc/35/83/72/175358372.db2.gz KIYDDAOCZQBEEO-ZFWWWQNUSA-N 2 1 267.417 2.145 10 30 CEEEMP COCC[N@@H+](CCCC[C@](C)([NH3+])C#N)[C@@H](C)C1CC1 ZINC000045317434 175358373 /nfs/dbraw/zinc/35/83/73/175358373.db2.gz KIYDDAOCZQBEEO-ZFWWWQNUSA-N 2 1 267.417 2.145 10 30 CEEEMP COc1ccc(C[N@@H+](C)CCC(C)C)cc1C#CC[NH3+] ZINC000049609902 524002953 /nfs/dbraw/zinc/00/29/53/524002953.db2.gz LLDOZLXNVHAMKI-UHFFFAOYSA-N 2 1 274.408 2.483 10 30 CEEEMP C[C@H]1CCC[N@@H+](CCOc2cccc(C#CC[NH3+])c2)C1 ZINC000049608468 524092689 /nfs/dbraw/zinc/09/26/89/524092689.db2.gz JZLWJVDVTXPNPE-HNNXBMFYSA-N 2 1 272.392 2.108 10 30 CEEEMP CC[NH+](CCC#N)CCCC[N@H+](CC)CCC#N ZINC000196818867 395469213 /nfs/dbraw/zinc/46/92/13/395469213.db2.gz HDVSPRXHSJNJKZ-UHFFFAOYSA-N 2 1 250.390 2.238 10 30 CEEEMP CCCO[C@@H]1CCC[N@@H+](Cc2cc(C#CC[NH3+])cs2)C1 ZINC000043689067 175095657 /nfs/dbraw/zinc/09/56/57/175095657.db2.gz AAPZOHYYYQIENX-OAHLLOKOSA-N 2 1 292.448 2.449 10 30 CEEEMP CC(C)[C@@H](C)[N@@H+](C)CCOc1cccc(C#CC[NH3+])c1 ZINC000049609231 519791093 /nfs/dbraw/zinc/79/10/93/519791093.db2.gz OBINKDGOFCZURK-OAHLLOKOSA-N 2 1 274.408 2.352 10 30 CEEEMP CC(C)c1[nH+]ccn1CCOc1ccc(C#CC[NH3+])cc1 ZINC000049610129 519879593 /nfs/dbraw/zinc/87/95/93/519879593.db2.gz UTQSDVUPTGWDCB-UHFFFAOYSA-N 2 1 283.375 2.396 10 30 CEEEMP CC[N@H+](Cc1ccc(F)cc1C#CC[NH3+])C[C@H]1CCCO1 ZINC000049609565 521316151 /nfs/dbraw/zinc/31/61/51/521316151.db2.gz XAEXSBRKBHEXAM-QGZVFWFLSA-N 2 1 290.382 2.137 10 30 CEEEMP CC[C@H](C)C[N@@H+](C)CCOc1ccc(C#CC[NH3+])cc1 ZINC000049609014 523868142 /nfs/dbraw/zinc/86/81/42/523868142.db2.gz YEPRSCCAWITLEM-HNNXBMFYSA-N 2 1 274.408 2.354 10 30 CEEEMP [NH3+]CC#Cc1cc(C[N@H+]2CCCSCC2)ccc1F ZINC000049609945 527146500 /nfs/dbraw/zinc/14/65/00/527146500.db2.gz BYRPATLOZVTQDV-UHFFFAOYSA-N 2 1 278.396 2.075 10 30 CEEEMP CC[N@H+](Cc1cc(C#CC[NH3+])ccc1OC)CC(C)C ZINC000049608846 521286026 /nfs/dbraw/zinc/28/60/26/521286026.db2.gz RVKQPWDDUMTULR-UHFFFAOYSA-N 2 1 274.408 2.483 10 30 CEEEMP COc1ccc(C[N@@H+](C)CC(C)C)cc1C#CC[NH3+] ZINC000049608987 524002110 /nfs/dbraw/zinc/00/21/10/524002110.db2.gz PFODXNIMWIYYQE-UHFFFAOYSA-N 2 1 260.381 2.093 10 30 CEEEMP C[C@@H]1CCCC[N@H+]1CCOc1cccc(C#CC[NH3+])c1 ZINC000049608397 524113357 /nfs/dbraw/zinc/11/33/57/524113357.db2.gz TYAQFLFSIRMCSX-OAHLLOKOSA-N 2 1 272.392 2.250 10 30 CEEEMP N#C[C@H]1CCC[C@@H]1[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000062052160 526513587 /nfs/dbraw/zinc/51/35/87/526513587.db2.gz RLVBDDLRDRPTBD-CVEARBPZSA-N 2 1 261.413 2.486 10 30 CEEEMP CCN(CC)c1ccc(/C=[NH+]/N2CC[NH+](C)CC2)cc1 ZINC000005794899 170141323 /nfs/dbraw/zinc/14/13/23/170141323.db2.gz BXAPLRFBWDXQFJ-SAPNQHFASA-N 2 1 274.412 2.114 10 30 CEEEMP COCC[N@H+](Cc1sccc1C#CC[NH3+])CC(C)C ZINC000043684067 175091641 /nfs/dbraw/zinc/09/16/41/175091641.db2.gz HZOQMWRSRZGZSL-UHFFFAOYSA-N 2 1 280.437 2.163 10 30 CEEEMP CC(C)N[C@](C)(C#N)CCC[NH+]1CCC([NH+](C)C)CC1 ZINC000045311116 175356251 /nfs/dbraw/zinc/35/62/51/175356251.db2.gz HXHVKRBLAUARHQ-INIZCTEOSA-N 2 1 280.460 2.073 10 30 CEEEMP C=CC[NH+](CC=C)CC1(C[NH2+]CCC)CCOCC1 ZINC000052181529 518768201 /nfs/dbraw/zinc/76/82/01/518768201.db2.gz UTALAFGMXJBKDS-UHFFFAOYSA-N 2 1 266.429 2.457 10 30 CEEEMP CC[N@H+](Cc1ccnc(C#N)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000068757698 521413756 /nfs/dbraw/zinc/41/37/56/521413756.db2.gz DTTXOQOUMGTVKU-MZBDJJRSSA-N 2 1 270.380 2.058 10 30 CEEEMP CC[N@@H+](Cc1ccnc(C#N)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000068757698 521413764 /nfs/dbraw/zinc/41/37/64/521413764.db2.gz DTTXOQOUMGTVKU-MZBDJJRSSA-N 2 1 270.380 2.058 10 30 CEEEMP CC[C@@H](C)[N@@H+](CC)CCOc1ccc(C#CC[NH3+])cc1 ZINC000049608933 522081623 /nfs/dbraw/zinc/08/16/23/522081623.db2.gz GZYOUUGOWQTFAZ-OAHLLOKOSA-N 2 1 274.408 2.496 10 30 CEEEMP C[N@H+](Cc1ccccn1)Cc1ccccc1C#CC[NH3+] ZINC000049609241 523396377 /nfs/dbraw/zinc/39/63/77/523396377.db2.gz FBTXORGTDGRYBM-UHFFFAOYSA-N 2 1 265.360 2.024 10 30 CEEEMP C[N@@H+](Cc1ccccn1)Cc1ccccc1C#CC[NH3+] ZINC000049609241 523396389 /nfs/dbraw/zinc/39/63/89/523396389.db2.gz FBTXORGTDGRYBM-UHFFFAOYSA-N 2 1 265.360 2.024 10 30 CEEEMP C[N@@H+](Cc1ccco1)Cc1cccc(C#CC[NH3+])c1 ZINC000049609122 523434366 /nfs/dbraw/zinc/43/43/66/523434366.db2.gz ZFIQGIFPMIVUCI-UHFFFAOYSA-N 2 1 254.333 2.222 10 30 CEEEMP CC[C@H](C)C[N@@H+](C)Cc1cc(C#CC[NH3+])ccc1OC ZINC000049609020 523868718 /nfs/dbraw/zinc/86/87/18/523868718.db2.gz YFWBOVMOFDEHRI-AWEZNQCLSA-N 2 1 274.408 2.483 10 30 CEEEMP C[C@@H]1CCC[N@@H+](CCOc2ccc(C#CC[NH3+])cc2)C1 ZINC000049608457 524229203 /nfs/dbraw/zinc/22/92/03/524229203.db2.gz CEOBNHRSPUBDBC-OAHLLOKOSA-N 2 1 272.392 2.108 10 30 CEEEMP CCCNC(=[NH2+])NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000303902557 623293410 /nfs/dbraw/zinc/29/34/10/623293410.db2.gz XWWJATNSDOANND-MRXNPFEDSA-N 2 1 288.439 2.355 10 30 CEEEMP CCCN[C@](C)(C#N)CCCC[N@@H+](C)CCC[NH+](C)C ZINC000111144228 186359431 /nfs/dbraw/zinc/35/94/31/186359431.db2.gz NTQIEMWWDCEMBO-INIZCTEOSA-N 2 1 282.476 2.322 10 30 CEEEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)o1 ZINC000180125324 189238319 /nfs/dbraw/zinc/23/83/19/189238319.db2.gz TYDYECGLPYHCJP-ZDUSSCGKSA-N 2 1 270.336 2.321 10 30 CEEEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1ccc(C#N)o1 ZINC000180125324 189238320 /nfs/dbraw/zinc/23/83/20/189238320.db2.gz TYDYECGLPYHCJP-ZDUSSCGKSA-N 2 1 270.336 2.321 10 30 CEEEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCCSCC#N ZINC000178302991 395165027 /nfs/dbraw/zinc/16/50/27/395165027.db2.gz KGUGNKAFOFBRLA-CQSZACIVSA-N 2 1 278.425 2.303 10 30 CEEEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CCCSCC#N ZINC000178302991 395165032 /nfs/dbraw/zinc/16/50/32/395165032.db2.gz KGUGNKAFOFBRLA-CQSZACIVSA-N 2 1 278.425 2.303 10 30 CEEEMP CCCN[C@](C)(C#N)CCC[N@H+](C)C1CC[NH+](CC)CC1 ZINC000045317146 175358223 /nfs/dbraw/zinc/35/82/23/175358223.db2.gz CAHNDPBNHGMVPS-KRWDZBQOSA-N 2 1 294.487 2.465 10 30 CEEEMP CCCN[C@](C)(C#N)CCC[N@@H+](C)C1CC[NH+](CC)CC1 ZINC000045317146 175358224 /nfs/dbraw/zinc/35/82/24/175358224.db2.gz CAHNDPBNHGMVPS-KRWDZBQOSA-N 2 1 294.487 2.465 10 30 CEEEMP CC[NH+]1CCC([N@H+](C)CCC[C@](C)(C#N)NC(C)C)CC1 ZINC000045317158 175358499 /nfs/dbraw/zinc/35/84/99/175358499.db2.gz LFZZJNKMVFQCIM-QGZVFWFLSA-N 2 1 294.487 2.463 10 30 CEEEMP CC[NH+]1CCC([N@@H+](C)CCC[C@](C)(C#N)NC(C)C)CC1 ZINC000045317158 175358500 /nfs/dbraw/zinc/35/85/00/175358500.db2.gz LFZZJNKMVFQCIM-QGZVFWFLSA-N 2 1 294.487 2.463 10 30 CEEEMP CC[N@@H+](CCOc1cccc(C#CC[NH3+])c1)C(C)C ZINC000049608898 521149318 /nfs/dbraw/zinc/14/93/18/521149318.db2.gz FHZPIMDKRTVLRQ-UHFFFAOYSA-N 2 1 260.381 2.106 10 30 CEEEMP CC[C@@H]1CCC[N@H+]1CCOc1cccc(C#CC[NH3+])c1 ZINC000049608268 523267032 /nfs/dbraw/zinc/26/70/32/523267032.db2.gz FKSZPLHDLPMZFW-MRXNPFEDSA-N 2 1 272.392 2.250 10 30 CEEEMP COc1ccc(C#CC[NH3+])cc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000049608631 523515132 /nfs/dbraw/zinc/51/51/32/523515132.db2.gz ZMULBDSTVQSMMN-GASCZTMLSA-N 2 1 286.419 2.483 10 30 CEEEMP COc1ccc([C@H]2[C@H](C[NH3+])CCCC[N@H+]2C)cc1C#N ZINC000087823130 179494509 /nfs/dbraw/zinc/49/45/09/179494509.db2.gz BTADOUDDHVOAQT-BBRMVZONSA-N 2 1 273.380 2.299 10 30 CEEEMP CC[N@@H+](Cc1cccnc1C#N)C1CCC([NH3+])CC1 ZINC000091851141 180272140 /nfs/dbraw/zinc/27/21/40/180272140.db2.gz JNYHFDIOWLIVMO-UHFFFAOYSA-N 2 1 258.369 2.045 10 30 CEEEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCCSCC#N ZINC000178302973 395164666 /nfs/dbraw/zinc/16/46/66/395164666.db2.gz KGUGNKAFOFBRLA-AWEZNQCLSA-N 2 1 278.425 2.303 10 30 CEEEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCCSCC#N ZINC000178302973 395164672 /nfs/dbraw/zinc/16/46/72/395164672.db2.gz KGUGNKAFOFBRLA-AWEZNQCLSA-N 2 1 278.425 2.303 10 30 CEEEMP C[N@H+](Cc1sccc1C#CC[NH3+])Cc1ccccn1 ZINC000043683714 175091862 /nfs/dbraw/zinc/09/18/62/175091862.db2.gz KGCDHOULRLYBGB-UHFFFAOYSA-N 2 1 271.389 2.085 10 30 CEEEMP C[N@@H+](Cc1sccc1C#CC[NH3+])Cc1ccccn1 ZINC000043683714 175091864 /nfs/dbraw/zinc/09/18/64/175091864.db2.gz KGCDHOULRLYBGB-UHFFFAOYSA-N 2 1 271.389 2.085 10 30 CEEEMP CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1sccc1C#CC[NH3+] ZINC000043683986 175092023 /nfs/dbraw/zinc/09/20/23/175092023.db2.gz XOCYGZSFEBVBFR-GXTWGEPZSA-N 2 1 278.421 2.058 10 30 CEEEMP CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1sccc1C#CC[NH3+] ZINC000043683986 175092025 /nfs/dbraw/zinc/09/20/25/175092025.db2.gz XOCYGZSFEBVBFR-GXTWGEPZSA-N 2 1 278.421 2.058 10 30 CEEEMP CC[NH+]=C(NC[C@@H]1C[C@@H]1C)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000262772347 330030554 /nfs/dbraw/zinc/03/05/54/330030554.db2.gz KEXGRPZGIFGJBD-SOUVJXGZSA-N 2 1 292.471 2.214 10 30 CEEEMP CCC[N@@H+](CC)CCOc1ccc(C#CC[NH3+])cc1 ZINC000049608863 521610248 /nfs/dbraw/zinc/61/02/48/521610248.db2.gz QYYHUWLGNUSQDL-UHFFFAOYSA-N 2 1 260.381 2.108 10 30 CEEEMP CC[N@H+](Cc1cc(C#CC[NH3+])ccc1OC)CC1CC1 ZINC000069238992 521287031 /nfs/dbraw/zinc/28/70/31/521287031.db2.gz MXDWUGQVRWVVID-UHFFFAOYSA-N 2 1 272.392 2.237 10 30 CEEEMP CC[C@H]1CCC[N@H+]1Cc1ccc(OC)c(C#CC[NH3+])c1 ZINC000049608267 523109577 /nfs/dbraw/zinc/10/95/77/523109577.db2.gz PFSPWTPTQMTODW-INIZCTEOSA-N 2 1 272.392 2.380 10 30 CEEEMP C[C@@H](C1CC1)[N@@H+](C)Cc1ccc(C#CC[NH3+])cc1F ZINC000049609213 524320212 /nfs/dbraw/zinc/32/02/12/524320212.db2.gz YEKYAESPXTUORB-LBPRGKRZSA-N 2 1 260.356 2.366 10 30 CEEEMP C[C@@H](CC[NH+](C)C)[NH2+]Cc1cccc(OCC#N)c1 ZINC000049554009 524475869 /nfs/dbraw/zinc/47/58/69/524475869.db2.gz DLDQWADPNVFWHN-ZDUSSCGKSA-N 2 1 261.369 2.019 10 30 CEEEMP C[N@@H+](Cc1cc(F)ccc1C#N)C1CCC([NH3+])CC1 ZINC000091848038 180271286 /nfs/dbraw/zinc/27/12/86/180271286.db2.gz WRWYRNWZEJPQOF-UHFFFAOYSA-N 2 1 261.344 2.399 10 30 CEEEMP C[N@@H+](C[C@@H](C#N)c1ccccc1)C1CCC([NH3+])CC1 ZINC000091848033 180271508 /nfs/dbraw/zinc/27/15/08/180271508.db2.gz YMLRKXHPOQIZDE-QQFBHYJXSA-N 2 1 257.381 2.495 10 30 CEEEMP C=CC[NH+](CC=C)C[C@@]1(C[NH2+]C2CC2)CCCOC1 ZINC000111325090 186398465 /nfs/dbraw/zinc/39/84/65/186398465.db2.gz QVRAMWBDPZDVFQ-INIZCTEOSA-N 2 1 264.413 2.209 10 30 CEEEMP CC[NH+]=C(NC[C@H]1CCC[N@H+]1CC(C)C)N1CCCC1 ZINC000156567134 639360826 /nfs/dbraw/zinc/36/08/26/639360826.db2.gz JLXQVZCUGRAWTG-OAHLLOKOSA-N 2 1 280.460 2.168 10 30 CEEEMP Cc1ccc(C[N@H+](C)[C@@H]2CCC[NH2+]CC2)cc1C#N ZINC000600709035 346674881 /nfs/dbraw/zinc/67/48/81/346674881.db2.gz NSKNSTVLHNWSLJ-MRXNPFEDSA-N 2 1 257.381 2.441 10 30 CEEEMP C=C(Br)C[N@@H+](CC)CC1CC[NH2+]CC1 ZINC000086703196 179321394 /nfs/dbraw/zinc/32/13/94/179321394.db2.gz YRMSDCPRCHXCCB-UHFFFAOYSA-N 2 1 261.207 2.217 10 30 CEEEMP C[N@H+](Cc1sccc1C#CC[NH3+])Cc1cccnc1 ZINC000043683733 175092136 /nfs/dbraw/zinc/09/21/36/175092136.db2.gz KLTPWMNFKNHVPU-UHFFFAOYSA-N 2 1 271.389 2.085 10 30 CEEEMP C[N@@H+](Cc1sccc1C#CC[NH3+])Cc1cccnc1 ZINC000043683733 175092137 /nfs/dbraw/zinc/09/21/37/175092137.db2.gz KLTPWMNFKNHVPU-UHFFFAOYSA-N 2 1 271.389 2.085 10 30 CEEEMP CCN[C@](C)(C#N)CCCC[N@H+](C)C1CC[NH+](CC)CC1 ZINC000045317186 175357760 /nfs/dbraw/zinc/35/77/60/175357760.db2.gz RORNZRRPYLOCHU-KRWDZBQOSA-N 2 1 294.487 2.465 10 30 CEEEMP CCN[C@](C)(C#N)CCCC[N@@H+](C)C1CC[NH+](CC)CC1 ZINC000045317186 175357761 /nfs/dbraw/zinc/35/77/61/175357761.db2.gz RORNZRRPYLOCHU-KRWDZBQOSA-N 2 1 294.487 2.465 10 30 CEEEMP CC[NH+]1CCC([N@H+](C)CCC[C@@](C)(C#N)NC(C)C)CC1 ZINC000045317154 175358457 /nfs/dbraw/zinc/35/84/57/175358457.db2.gz LFZZJNKMVFQCIM-KRWDZBQOSA-N 2 1 294.487 2.463 10 30 CEEEMP CC[NH+]1CCC([N@@H+](C)CCC[C@@](C)(C#N)NC(C)C)CC1 ZINC000045317154 175358458 /nfs/dbraw/zinc/35/84/58/175358458.db2.gz LFZZJNKMVFQCIM-KRWDZBQOSA-N 2 1 294.487 2.463 10 30 CEEEMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=[NH2+])NC(C)(C)C ZINC000160809809 264261757 /nfs/dbraw/zinc/26/17/57/264261757.db2.gz PVZKAGOIHCREMJ-ZDUSSCGKSA-N 2 1 268.449 2.200 10 30 CEEEMP C=CCC[C@@H](O)C[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000125238072 187175854 /nfs/dbraw/zinc/17/58/54/187175854.db2.gz YPDKXCBIBORESX-HZPDHXFCSA-N 2 1 289.423 2.451 10 30 CEEEMP C=CCC[C@@H](O)C[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000125238072 187175855 /nfs/dbraw/zinc/17/58/55/187175855.db2.gz YPDKXCBIBORESX-HZPDHXFCSA-N 2 1 289.423 2.451 10 30 CEEEMP COc1ccc(C[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)cc1C#N ZINC000328632638 344757511 /nfs/dbraw/zinc/75/75/11/344757511.db2.gz LLZXGSZASCJDAN-AWEZNQCLSA-N 2 1 296.374 2.116 10 30 CEEEMP COc1ccc([C@@H]2[C@H](C[NH3+])CC[N@@H+]2C2CC2)cc1C#N ZINC000087823217 179494200 /nfs/dbraw/zinc/49/42/00/179494200.db2.gz XLSKQOIJGBYJTR-BLLLJJGKSA-N 2 1 271.364 2.051 10 30 CEEEMP COc1ccc([C@@H]2[C@H](C[NH3+])CC[N@H+]2C2CC2)cc1C#N ZINC000087823217 179494201 /nfs/dbraw/zinc/49/42/01/179494201.db2.gz XLSKQOIJGBYJTR-BLLLJJGKSA-N 2 1 271.364 2.051 10 30 CEEEMP C=CCN(CC=C)C(=O)C[N@H+](CCC)C1CCC([NH3+])CC1 ZINC000091852552 180273240 /nfs/dbraw/zinc/27/32/40/180273240.db2.gz HJXJXBYJUQDZDH-UHFFFAOYSA-N 2 1 293.455 2.169 10 30 CEEEMP Cc1nccn1C[C@@H]1CCC[N@H+]1C[C@@H](C#N)CCC#N ZINC000247097522 371064159 /nfs/dbraw/zinc/06/41/59/371064159.db2.gz QCODXMMKDMHAQH-CABCVRRESA-N 2 1 271.368 2.099 10 30 CEEEMP COCC[N@H+](CCCC[C@@](C)([NH3+])C#N)CC(C)C ZINC000045315008 175357223 /nfs/dbraw/zinc/35/72/23/175357223.db2.gz UQZNVAQIHGAJJX-CQSZACIVSA-N 2 1 255.406 2.002 10 30 CEEEMP COCC[N@@H+](CCCC[C@@](C)([NH3+])C#N)CC(C)C ZINC000045315008 175357225 /nfs/dbraw/zinc/35/72/25/175357225.db2.gz UQZNVAQIHGAJJX-CQSZACIVSA-N 2 1 255.406 2.002 10 30 CEEEMP CC[N@H+](Cc1ccc(F)cc1C#CC[NH3+])CC1CC1 ZINC000069238984 521314507 /nfs/dbraw/zinc/31/45/07/521314507.db2.gz YVQNYFMGYUJRKX-UHFFFAOYSA-N 2 1 260.356 2.368 10 30 CEEEMP C[NH+]=C(NCCC1=CCCCC1)NC[C@@H]1CCC[N@H+]1C ZINC000114067406 526354270 /nfs/dbraw/zinc/35/42/70/526354270.db2.gz DRCAKOGSROAAJC-HNNXBMFYSA-N 2 1 278.444 2.136 10 30 CEEEMP C[C@@H]1C[N@H+](Cc2ccc(C#CC[NH3+])s2)CC(C)(C)O1 ZINC000045707035 175382824 /nfs/dbraw/zinc/38/28/24/175382824.db2.gz JJMQLEDUBGTAOH-GFCCVEGCSA-N 2 1 278.421 2.058 10 30 CEEEMP C[C@@H]1C[N@@H+](Cc2ccc(C#CC[NH3+])s2)CC(C)(C)O1 ZINC000045707035 175382825 /nfs/dbraw/zinc/38/28/25/175382825.db2.gz JJMQLEDUBGTAOH-GFCCVEGCSA-N 2 1 278.421 2.058 10 30 CEEEMP CC[C@@H](C)[N@@H+](CCOC)Cc1ccc(C#CC[NH3+])s1 ZINC000043684187 175093257 /nfs/dbraw/zinc/09/32/57/175093257.db2.gz OPZVQJDRISYVKN-CYBMUJFWSA-N 2 1 280.437 2.305 10 30 CEEEMP CC(C)N[C@@](C)(C#N)CCCC[N@H+](C)C1CC[NH+](C)CC1 ZINC000045307920 175356555 /nfs/dbraw/zinc/35/65/55/175356555.db2.gz WTNCYWHRXRVMGD-QGZVFWFLSA-N 2 1 294.487 2.463 10 30 CEEEMP CC(C)N[C@@](C)(C#N)CCCC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000045307920 175356556 /nfs/dbraw/zinc/35/65/56/175356556.db2.gz WTNCYWHRXRVMGD-QGZVFWFLSA-N 2 1 294.487 2.463 10 30 CEEEMP CC(C)N[C@@](C)(C#N)C[C@H](C)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000068616280 519735601 /nfs/dbraw/zinc/73/56/01/519735601.db2.gz UITIBGYXJXQSIC-DOTOQJQBSA-N 2 1 294.487 2.319 10 30 CEEEMP C=CCCC[C@H]([NH2+]CC)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091722040 180241116 /nfs/dbraw/zinc/24/11/16/180241116.db2.gz PTSXFHCYNSNXRJ-ILXRZTDVSA-N 2 1 252.402 2.184 10 30 CEEEMP C=CCCC[C@H]([NH2+]CC)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091722040 180241118 /nfs/dbraw/zinc/24/11/18/180241118.db2.gz PTSXFHCYNSNXRJ-ILXRZTDVSA-N 2 1 252.402 2.184 10 30 CEEEMP CC[N@@H+](Cc1ccnc(C#N)c1)C1CCC([NH3+])CC1 ZINC000091851082 180272421 /nfs/dbraw/zinc/27/24/21/180272421.db2.gz NRGOMVZKRPXYBL-UHFFFAOYSA-N 2 1 258.369 2.045 10 30 CEEEMP C=CCC[C@H](O)C[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000246076077 370906102 /nfs/dbraw/zinc/90/61/02/370906102.db2.gz YPDKXCBIBORESX-CVEARBPZSA-N 2 1 289.423 2.451 10 30 CEEEMP C=CCC[C@H](O)C[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000246076077 370906104 /nfs/dbraw/zinc/90/61/04/370906104.db2.gz YPDKXCBIBORESX-CVEARBPZSA-N 2 1 289.423 2.451 10 30 CEEEMP CC[N@H+](Cc1ccc(C#CC[NH3+])s1)C[C@@H]1CCCO1 ZINC000043683822 175091653 /nfs/dbraw/zinc/09/16/53/175091653.db2.gz WBSIIVMFOKJVPV-ZDUSSCGKSA-N 2 1 278.421 2.059 10 30 CEEEMP CC[N@@H+](Cc1cc(C#CC[NH3+])cs1)Cc1ccncc1 ZINC000043688978 175095701 /nfs/dbraw/zinc/09/57/01/175095701.db2.gz DSNXQWJGIINJKR-UHFFFAOYSA-N 2 1 285.416 2.475 10 30 CEEEMP C[C@](N)(C#N)CCCC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000045313155 175357328 /nfs/dbraw/zinc/35/73/28/175357328.db2.gz RWWFWEOTBXFCTH-QGZVFWFLSA-N 2 1 292.471 2.348 10 30 CEEEMP CC(C)N[C@](C)(C#N)C[C@H](C)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000068616274 519739381 /nfs/dbraw/zinc/73/93/81/519739381.db2.gz UITIBGYXJXQSIC-RDJZCZTQSA-N 2 1 294.487 2.319 10 30 CEEEMP C[N@H+](Cc1ccoc1)Cc1sccc1C#CC[NH3+] ZINC000043683928 175092287 /nfs/dbraw/zinc/09/22/87/175092287.db2.gz BOOASOJHTYGALW-UHFFFAOYSA-N 2 1 260.362 2.283 10 30 CEEEMP C[N@@H+](Cc1ccoc1)Cc1sccc1C#CC[NH3+] ZINC000043683928 175092288 /nfs/dbraw/zinc/09/22/88/175092288.db2.gz BOOASOJHTYGALW-UHFFFAOYSA-N 2 1 260.362 2.283 10 30 CEEEMP C[N@H+](Cc1sccc1C#CC[NH3+])C[C@H]1CCCCO1 ZINC000043683815 175092312 /nfs/dbraw/zinc/09/23/12/175092312.db2.gz QVGZTRCXADWYSW-CQSZACIVSA-N 2 1 278.421 2.059 10 30 CEEEMP C=C(Br)C[NH+]1CCC(C[NH2+]CC)CC1 ZINC000082645645 178141733 /nfs/dbraw/zinc/14/17/33/178141733.db2.gz DEDIKLGNECAGGJ-UHFFFAOYSA-N 2 1 261.207 2.217 10 30 CEEEMP CCC[N@H+]1CCC[C@](C#N)(NCC[NH+](CC)CC)CC1 ZINC000086849281 179358596 /nfs/dbraw/zinc/35/85/96/179358596.db2.gz SJMYSCOJACVQJT-INIZCTEOSA-N 2 1 280.460 2.076 10 30 CEEEMP [NH3+]CC#Cc1ccc(C[N@@H+](CCO)C2CCCCC2)s1 ZINC000043684171 175092759 /nfs/dbraw/zinc/09/27/59/175092759.db2.gz LCQBEQKBTAJGPC-UHFFFAOYSA-N 2 1 292.448 2.185 10 30 CEEEMP CCCN[C@](C)(C#N)CCC[NH+]1CCC([NH+](C)C)CC1 ZINC000045311110 175356594 /nfs/dbraw/zinc/35/65/94/175356594.db2.gz KWTUMGFBKXDRQO-INIZCTEOSA-N 2 1 280.460 2.074 10 30 CEEEMP C[NH+]=C(NCC1CCCC1)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000262741818 330029131 /nfs/dbraw/zinc/02/91/31/330029131.db2.gz DULRHBVTYGMHOU-HNNXBMFYSA-N 2 1 292.471 2.359 10 30 CEEEMP CC[N@H+](Cc1ccc(C#CC[NH3+])cc1F)CC1CC1 ZINC000069238990 521298239 /nfs/dbraw/zinc/29/82/39/521298239.db2.gz LLXMPHUNAZOOMF-UHFFFAOYSA-N 2 1 260.356 2.368 10 30 CEEEMP COc1ccc([C@@H]2[C@@H](C[NH3+])CCC[N@@H+]2C2CC2)cc1C#N ZINC000087823159 179494284 /nfs/dbraw/zinc/49/42/84/179494284.db2.gz XSUAWTCUXCNWQX-CXAGYDPISA-N 2 1 285.391 2.441 10 30 CEEEMP COc1ccc([C@@H]2[C@@H](C[NH3+])CCC[N@H+]2C2CC2)cc1C#N ZINC000087823159 179494285 /nfs/dbraw/zinc/49/42/85/179494285.db2.gz XSUAWTCUXCNWQX-CXAGYDPISA-N 2 1 285.391 2.441 10 30 CEEEMP C=CC[NH+](CC=C)C[C@@]1(C[NH2+]CC)CCCOC1 ZINC000104318715 185967067 /nfs/dbraw/zinc/96/70/67/185967067.db2.gz XUCUEFUSLPDOLC-HNNXBMFYSA-N 2 1 252.402 2.067 10 30 CEEEMP C#C[C@H](C)[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000306717037 376553853 /nfs/dbraw/zinc/55/38/53/376553853.db2.gz GXVWJKXLSKDQIF-JQHSSLGASA-N 2 1 268.404 2.462 10 30 CEEEMP C#C[C@H](C)[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000306717037 376553861 /nfs/dbraw/zinc/55/38/61/376553861.db2.gz GXVWJKXLSKDQIF-JQHSSLGASA-N 2 1 268.404 2.462 10 30 CEEEMP C#C[C@H](C)[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000306717037 376553869 /nfs/dbraw/zinc/55/38/69/376553869.db2.gz GXVWJKXLSKDQIF-JQHSSLGASA-N 2 1 268.404 2.462 10 30 CEEEMP CC1=CC[N@H+](CCNC(=[NH2+])NC2CCCCCC2)CC1 ZINC000262329743 330006357 /nfs/dbraw/zinc/00/63/57/330006357.db2.gz UUYMTWXRSJWBAK-UHFFFAOYSA-N 2 1 278.444 2.266 10 30 CEEEMP CC1=CC[N@@H+](CCNC(=[NH2+])NC2CCCCCC2)CC1 ZINC000262329743 330006359 /nfs/dbraw/zinc/00/63/59/330006359.db2.gz UUYMTWXRSJWBAK-UHFFFAOYSA-N 2 1 278.444 2.266 10 30 CEEEMP C=C(C)C[N@H+](CC)C[C@H]1CC[C@H](C[NH2+]CCC)O1 ZINC000052423540 518600652 /nfs/dbraw/zinc/60/06/52/518600652.db2.gz ZJARLQDHCGOTEJ-HUUCEWRRSA-N 2 1 254.418 2.432 10 30 CEEEMP CC[C@H](C)C[N@@H+](C)CCOc1cccc(C#CC[NH3+])c1 ZINC000049609024 523867734 /nfs/dbraw/zinc/86/77/34/523867734.db2.gz PLYVLTRRJWGKRZ-HNNXBMFYSA-N 2 1 274.408 2.354 10 30 CEEEMP CC[C@H](C)[N@@H+](C)CCOc1cccc(C#CC[NH3+])c1 ZINC000049608834 523923130 /nfs/dbraw/zinc/92/31/30/523923130.db2.gz BDQSUVFNUZGNRS-AWEZNQCLSA-N 2 1 260.381 2.106 10 30 CEEEMP COc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1C#CC[NH3+] ZINC000049608634 524042211 /nfs/dbraw/zinc/04/22/11/524042211.db2.gz CIXYDANHDZLVIF-GASCZTMLSA-N 2 1 286.419 2.483 10 30 CEEEMP C[NH+]=C(NCc1cccs1)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000261937290 629346567 /nfs/dbraw/zinc/34/65/67/629346567.db2.gz CSAMTBNRYZHZLH-GXTWGEPZSA-N 2 1 294.468 2.142 10 30 CEEEMP CC(C)N[C@](C)(C#N)CCCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000090907055 180060808 /nfs/dbraw/zinc/06/08/08/180060808.db2.gz BVTFSRCRZYMTPM-XHSDSOJGSA-N 2 1 279.428 2.300 10 30 CEEEMP CC(C)N[C@](C)(C#N)CCCCN1C[C@H]2CC[C@@H](C1)O2 ZINC000090907055 180060809 /nfs/dbraw/zinc/06/08/09/180060809.db2.gz BVTFSRCRZYMTPM-XHSDSOJGSA-N 2 1 279.428 2.300 10 30 CEEEMP CC(C)N[C@@](C)(C#N)CCCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000090907056 180061032 /nfs/dbraw/zinc/06/10/32/180061032.db2.gz BVTFSRCRZYMTPM-OWCLPIDISA-N 2 1 279.428 2.300 10 30 CEEEMP CC(C)N[C@@](C)(C#N)CCCCN1C[C@H]2CC[C@@H](C1)O2 ZINC000090907056 180061033 /nfs/dbraw/zinc/06/10/33/180061033.db2.gz BVTFSRCRZYMTPM-OWCLPIDISA-N 2 1 279.428 2.300 10 30 CEEEMP C[N@@H+](Cc1ccc(F)cc1C#N)C1CCC([NH3+])CC1 ZINC000091846417 180270257 /nfs/dbraw/zinc/27/02/57/180270257.db2.gz WKEUGGXJWAQDRG-UHFFFAOYSA-N 2 1 261.344 2.399 10 30 CEEEMP CC[NH+]=C(NCC1(C)CC1)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000262396332 330012559 /nfs/dbraw/zinc/01/25/59/330012559.db2.gz MYXHZDFZCNBROS-CQSZACIVSA-N 2 1 292.471 2.359 10 30 CEEEMP C[NH+]=C(NC[C@H]1CCC[N@H+]1C)N1CCC2(C1)CCCCC2 ZINC000262480638 330016668 /nfs/dbraw/zinc/01/66/68/330016668.db2.gz RIEFKGPEZAITJO-OAHLLOKOSA-N 2 1 292.471 2.312 10 30 CEEEMP CC[NH+]=C(NC[C@@H]1CCC[N@H+](C(C)C)C1)N[C@@H]1C[C@H]1C ZINC000262834942 330034870 /nfs/dbraw/zinc/03/48/70/330034870.db2.gz SFADVLOCWXCTLL-QLFBSQMISA-N 2 1 280.460 2.070 10 30 CEEEMP C[N@@H+](CCc1ccccn1)Cc1ccc(C#CC[NH3+])cc1 ZINC000049608776 522964719 /nfs/dbraw/zinc/96/47/19/522964719.db2.gz FLLXHHBUPVPIRL-UHFFFAOYSA-N 2 1 279.387 2.066 10 30 CEEEMP C[N@H+](Cc1ccc(F)c(C#CC[NH3+])c1)C[C@@H]1CCCCO1 ZINC000049609534 523238524 /nfs/dbraw/zinc/23/85/24/523238524.db2.gz CUAABPJCAASFHL-INIZCTEOSA-N 2 1 290.382 2.137 10 30 CEEEMP C[N@H+](Cc1ccccn1)Cc1ccc(F)cc1C#CC[NH3+] ZINC000049609245 523397514 /nfs/dbraw/zinc/39/75/14/523397514.db2.gz VOSYYNSDRMYUQL-UHFFFAOYSA-N 2 1 283.350 2.163 10 30 CEEEMP C[N@@H+](Cc1ccccn1)Cc1ccc(F)cc1C#CC[NH3+] ZINC000049609245 523397518 /nfs/dbraw/zinc/39/75/18/523397518.db2.gz VOSYYNSDRMYUQL-UHFFFAOYSA-N 2 1 283.350 2.163 10 30 CEEEMP CC[C@H](C)[N@@H+](C)CCOc1ccc(C#CC[NH3+])cc1 ZINC000049608824 523923417 /nfs/dbraw/zinc/92/34/17/523923417.db2.gz RMALEIWJOQVUER-AWEZNQCLSA-N 2 1 260.381 2.106 10 30 CEEEMP C[C@H]1CCC[N@@H+](Cc2ccc(F)cc2C#CC[NH3+])C1 ZINC000049608474 524097066 /nfs/dbraw/zinc/09/70/66/524097066.db2.gz OHBOMFCWHXMZFS-ZDUSSCGKSA-N 2 1 260.356 2.368 10 30 CEEEMP C[C@@H]1[C@@H](C)CCC[N@H+]1CCOc1cccc(C#CC[NH3+])c1 ZINC000050566694 525639131 /nfs/dbraw/zinc/63/91/31/525639131.db2.gz UCUOLLNSCRATOG-JKSUJKDBSA-N 2 1 286.419 2.496 10 30 CEEEMP C[NH+]=C(NC[C@@H]1CC=CCC1)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000245614529 624956370 /nfs/dbraw/zinc/95/63/70/624956370.db2.gz MDFUXRUHCZFZIG-BZUAXINKSA-N 2 1 292.471 2.236 10 30 CEEEMP COc1ccc(C#CC[NH3+])cc1C[N@H+]1C[C@H](C)[C@H](C)C1 ZINC000092086989 180321429 /nfs/dbraw/zinc/32/14/29/180321429.db2.gz JHAIOVWUDYWCEM-OKILXGFUSA-N 2 1 272.392 2.093 10 30 CEEEMP C[N@H+](Cc1cc(C#CC[NH3+])cs1)Cc1ccncc1 ZINC000043688930 175096076 /nfs/dbraw/zinc/09/60/76/175096076.db2.gz ONRANGIFHAZZIE-UHFFFAOYSA-N 2 1 271.389 2.085 10 30 CEEEMP C[N@@H+](Cc1cc(C#CC[NH3+])cs1)Cc1ccncc1 ZINC000043688930 175096077 /nfs/dbraw/zinc/09/60/77/175096077.db2.gz ONRANGIFHAZZIE-UHFFFAOYSA-N 2 1 271.389 2.085 10 30 CEEEMP C[NH+]=C(NC[C@@H]1CCC[N@H+]1C)N1CC[C@H](CC(C)C)C1 ZINC000262424804 330009522 /nfs/dbraw/zinc/00/95/22/330009522.db2.gz CIYYEIMEFIRPDP-CABCVRRESA-N 2 1 280.460 2.024 10 30 CEEEMP CCCN[C@](C)(C#N)C[C@@H](C)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000068616239 520103295 /nfs/dbraw/zinc/10/32/95/520103295.db2.gz YMQWVYMACXKFPB-WBVHZDCISA-N 2 1 294.487 2.320 10 30 CEEEMP CCC[N@@H+](CC)CCOc1cccc(C#CC[NH3+])c1 ZINC000049608868 521609846 /nfs/dbraw/zinc/60/98/46/521609846.db2.gz HFVFMFSHLPKVAV-UHFFFAOYSA-N 2 1 260.381 2.108 10 30 CEEEMP C[N@@H+](CCOc1cccc(C#CC[NH3+])c1)C1CCCC1 ZINC000049608928 522910790 /nfs/dbraw/zinc/91/07/90/522910790.db2.gz UKEZGHGVLORHIY-UHFFFAOYSA-N 2 1 272.392 2.250 10 30 CEEEMP C[N@@H+](CCc1ccncc1)Cc1ccc(C#CC[NH3+])cc1 ZINC000049609396 522976606 /nfs/dbraw/zinc/97/66/06/522976606.db2.gz CRHRHTGSNRRYQP-UHFFFAOYSA-N 2 1 279.387 2.066 10 30 CEEEMP COc1ccc(C[N@H+]2C[C@H](C)[C@H](C)C2)cc1C#CC[NH3+] ZINC000092087001 180321525 /nfs/dbraw/zinc/32/15/25/180321525.db2.gz RUFJTFUVMRVBNI-OKILXGFUSA-N 2 1 272.392 2.093 10 30 CEEEMP C=CC[NH+](CC=C)C[C@@]1(C[NH2+]CCC)CCCOC1 ZINC000111325096 186398380 /nfs/dbraw/zinc/39/83/80/186398380.db2.gz TUJAWKVATZEGQV-INIZCTEOSA-N 2 1 266.429 2.457 10 30 CEEEMP Cc1cccc(NC[C@@H]2CC[N@H+](CCCC#N)C2)[nH+]1 ZINC000195516185 370135402 /nfs/dbraw/zinc/13/54/02/370135402.db2.gz RPHVVUJCMUXBLR-AWEZNQCLSA-N 2 1 258.369 2.428 10 30 CEEEMP Cc1cccc(NC[C@@H]2CC[N@@H+](CCCC#N)C2)[nH+]1 ZINC000195516185 370135408 /nfs/dbraw/zinc/13/54/08/370135408.db2.gz RPHVVUJCMUXBLR-AWEZNQCLSA-N 2 1 258.369 2.428 10 30 CEEEMP CC[NH+]=C(NC[C@@H]1C[C@@H]1C)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000262772334 330030580 /nfs/dbraw/zinc/03/05/80/330030580.db2.gz KEXGRPZGIFGJBD-KKUMJFAQSA-N 2 1 292.471 2.214 10 30 CEEEMP CC[N@@H+](Cc1ccc(OC)c(C#CC[NH3+])c1)C(C)C ZINC000049608897 521323410 /nfs/dbraw/zinc/32/34/10/521323410.db2.gz BMCMCSOPBPMFEE-UHFFFAOYSA-N 2 1 260.381 2.236 10 30 CEEEMP CC[N@@H+](Cc1ccncc1)Cc1cccc(C#CC[NH3+])c1 ZINC000049609654 521422698 /nfs/dbraw/zinc/42/26/98/521422698.db2.gz MBUFDAKMTPGSCN-UHFFFAOYSA-N 2 1 279.387 2.414 10 30 CEEEMP CC[C@@H]1CCC[N@@H+](CCOc2cccc(C#CC[NH3+])c2)C1 ZINC000049609267 523248628 /nfs/dbraw/zinc/24/86/28/523248628.db2.gz FPRNFIVQHYKGDA-MRXNPFEDSA-N 2 1 286.419 2.498 10 30 CEEEMP CC[C@@H]1CCC[N@H+]1Cc1ccc(OC)c(C#CC[NH3+])c1 ZINC000049608266 523268615 /nfs/dbraw/zinc/26/86/15/523268615.db2.gz PFSPWTPTQMTODW-MRXNPFEDSA-N 2 1 272.392 2.380 10 30 CEEEMP C[N@H+](Cc1ccoc1)Cc1ccc(F)cc1C#CC[NH3+] ZINC000049609740 523476210 /nfs/dbraw/zinc/47/62/10/523476210.db2.gz KRNGOGAHAJUFAU-UHFFFAOYSA-N 2 1 272.323 2.361 10 30 CEEEMP C[N@@H+](Cc1ccoc1)Cc1ccc(F)cc1C#CC[NH3+] ZINC000049609740 523476221 /nfs/dbraw/zinc/47/62/21/523476221.db2.gz KRNGOGAHAJUFAU-UHFFFAOYSA-N 2 1 272.323 2.361 10 30 CEEEMP COc1ccc(C#CC[NH3+])cc1C[N@H+]1CCCC[C@H]1C ZINC000049608393 523513670 /nfs/dbraw/zinc/51/36/70/523513670.db2.gz NCMSXCYBOORNRU-CQSZACIVSA-N 2 1 272.392 2.380 10 30 CEEEMP C[N@H+]1CC[C@@H](C[NH2+]C2CC(C#N)(c3ccccc3)C2)C1 ZINC000086037210 179221286 /nfs/dbraw/zinc/22/12/86/179221286.db2.gz LUHAHYVRPAJEIZ-OOHWJJMZSA-N 2 1 269.392 2.152 10 30 CEEEMP CCC(CC)[N@@H+](CCO)Cc1ccc(C#CC[NH3+])s1 ZINC000043684169 175092636 /nfs/dbraw/zinc/09/26/36/175092636.db2.gz ZMZSRBGFVJYIRR-UHFFFAOYSA-N 2 1 280.437 2.041 10 30 CEEEMP [NH3+]CC#Cc1ccsc1C[N@@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000043684282 175093037 /nfs/dbraw/zinc/09/30/37/175093037.db2.gz CTUATRNCSYGAEE-GJZGRUSLSA-N 2 1 290.432 2.202 10 30 CEEEMP [NH3+]CC#Cc1ccsc1C[N@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000043684282 175093039 /nfs/dbraw/zinc/09/30/39/175093039.db2.gz CTUATRNCSYGAEE-GJZGRUSLSA-N 2 1 290.432 2.202 10 30 CEEEMP CCN[C@@](C)(C#N)CCCC[N@H+](C)C1CC[NH+](C)CC1 ZINC000045307909 175356864 /nfs/dbraw/zinc/35/68/64/175356864.db2.gz HQAVGCBYSBNBGX-MRXNPFEDSA-N 2 1 280.460 2.074 10 30 CEEEMP CCN[C@@](C)(C#N)CCCC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000045307909 175356865 /nfs/dbraw/zinc/35/68/65/175356865.db2.gz HQAVGCBYSBNBGX-MRXNPFEDSA-N 2 1 280.460 2.074 10 30 CEEEMP CC[NH+]1CCC([N@H+](C)CCC[C@](C)(C#N)NC2CC2)CC1 ZINC000045317166 175358013 /nfs/dbraw/zinc/35/80/13/175358013.db2.gz ABNLZIRXEZBQLB-QGZVFWFLSA-N 2 1 292.471 2.217 10 30 CEEEMP CC[NH+]1CCC([N@@H+](C)CCC[C@](C)(C#N)NC2CC2)CC1 ZINC000045317166 175358017 /nfs/dbraw/zinc/35/80/17/175358017.db2.gz ABNLZIRXEZBQLB-QGZVFWFLSA-N 2 1 292.471 2.217 10 30 CEEEMP CCN[C@@](C)(C#N)CCCC[N@H+](C)C1CC[NH+](CC)CC1 ZINC000045317190 175358200 /nfs/dbraw/zinc/35/82/00/175358200.db2.gz RORNZRRPYLOCHU-QGZVFWFLSA-N 2 1 294.487 2.465 10 30 CEEEMP CCN[C@@](C)(C#N)CCCC[N@@H+](C)C1CC[NH+](CC)CC1 ZINC000045317190 175358202 /nfs/dbraw/zinc/35/82/02/175358202.db2.gz RORNZRRPYLOCHU-QGZVFWFLSA-N 2 1 294.487 2.465 10 30 CEEEMP CCC(CC)[N@H+](CCC[C@](C)([NH3+])C#N)CCOC ZINC000045319515 175359359 /nfs/dbraw/zinc/35/93/59/175359359.db2.gz RDPSRIAAPVDRHC-AWEZNQCLSA-N 2 1 255.406 2.145 10 30 CEEEMP CCC(CC)[N@@H+](CCC[C@](C)([NH3+])C#N)CCOC ZINC000045319515 175359361 /nfs/dbraw/zinc/35/93/61/175359361.db2.gz RDPSRIAAPVDRHC-AWEZNQCLSA-N 2 1 255.406 2.145 10 30 CEEEMP CCC[C@H](C)[N@@H+](C)CCOc1ccc(C#CC[NH3+])cc1 ZINC000049609306 521033292 /nfs/dbraw/zinc/03/32/92/521033292.db2.gz WYRBCXUWSLIWRH-HNNXBMFYSA-N 2 1 274.408 2.496 10 30 CEEEMP C[N@@H+](Cc1ccncc1)Cc1ccc(F)c(C#CC[NH3+])c1 ZINC000049609304 523462064 /nfs/dbraw/zinc/46/20/64/523462064.db2.gz AYXRWWNQPPOQFA-UHFFFAOYSA-N 2 1 283.350 2.163 10 30 CEEEMP C[C@@H](C1CC1)[N@@H+](C)Cc1ccc(F)c(C#CC[NH3+])c1 ZINC000049609219 524320907 /nfs/dbraw/zinc/32/09/07/524320907.db2.gz GROGFHYMFQAQDL-LBPRGKRZSA-N 2 1 260.356 2.366 10 30 CEEEMP Cc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1C#N ZINC000600707380 346674138 /nfs/dbraw/zinc/67/41/38/346674138.db2.gz HHPRRDYHJGJYQT-CWRNSKLLSA-N 2 1 255.365 2.036 10 30 CEEEMP C[N@H+]1CC[C@H](C[NH2+]C2CC(C#N)(c3ccccc3)C2)C1 ZINC000086037203 179221775 /nfs/dbraw/zinc/22/17/75/179221775.db2.gz LUHAHYVRPAJEIZ-ODIFPOPNSA-N 2 1 269.392 2.152 10 30 CEEEMP C=C(C)CN(CC)C(=O)C[N@H+](CCC)C1CCC([NH3+])CC1 ZINC000091852465 180272637 /nfs/dbraw/zinc/27/26/37/180272637.db2.gz JNRYCPMFCUOHLM-UHFFFAOYSA-N 2 1 295.471 2.393 10 30 CEEEMP CCCO[C@@H]1CCC[N@@H+](Cc2sccc2C#CC[NH3+])C1 ZINC000043684101 175092441 /nfs/dbraw/zinc/09/24/41/175092441.db2.gz OTDIRLWMEOSUNK-OAHLLOKOSA-N 2 1 292.448 2.449 10 30 CEEEMP [NH3+]CC#Cc1csc(C[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)c1 ZINC000043689142 175096243 /nfs/dbraw/zinc/09/62/43/175096243.db2.gz WIRMKLBMVJZCSS-JKSUJKDBSA-N 2 1 290.432 2.202 10 30 CEEEMP [NH3+]CC#Cc1csc(C[N@H+]2CCO[C@@H]3CCCC[C@@H]32)c1 ZINC000043689142 175096244 /nfs/dbraw/zinc/09/62/44/175096244.db2.gz WIRMKLBMVJZCSS-JKSUJKDBSA-N 2 1 290.432 2.202 10 30 CEEEMP CCN[C@](C)(C#N)CCCC[N@H+](C)C1CC[NH+](C)CC1 ZINC000045307906 175356456 /nfs/dbraw/zinc/35/64/56/175356456.db2.gz HQAVGCBYSBNBGX-INIZCTEOSA-N 2 1 280.460 2.074 10 30 CEEEMP CCN[C@](C)(C#N)CCCC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000045307906 175356457 /nfs/dbraw/zinc/35/64/57/175356457.db2.gz HQAVGCBYSBNBGX-INIZCTEOSA-N 2 1 280.460 2.074 10 30 CEEEMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1CCC12CCCC2 ZINC000263269314 330051369 /nfs/dbraw/zinc/05/13/69/330051369.db2.gz OPSRHKUWHLWSLO-ZIAGYGMSSA-N 2 1 278.444 2.098 10 30 CEEEMP CC[N@@H+](CCOc1ccc(C#CC[NH3+])cc1)CC(C)C ZINC000049608843 521149440 /nfs/dbraw/zinc/14/94/40/521149440.db2.gz XMUBAOJPUFEFAT-UHFFFAOYSA-N 2 1 274.408 2.354 10 30 CEEEMP C#C[C@H](C)[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000306717039 376553593 /nfs/dbraw/zinc/55/35/93/376553593.db2.gz GXVWJKXLSKDQIF-SZMVWBNQSA-N 2 1 268.404 2.462 10 30 CEEEMP C#C[C@H](C)[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000306717039 376553602 /nfs/dbraw/zinc/55/36/02/376553602.db2.gz GXVWJKXLSKDQIF-SZMVWBNQSA-N 2 1 268.404 2.462 10 30 CEEEMP C#C[C@H](C)[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000306717039 376553609 /nfs/dbraw/zinc/55/36/09/376553609.db2.gz GXVWJKXLSKDQIF-SZMVWBNQSA-N 2 1 268.404 2.462 10 30 CEEEMP CC[C@H](C)[N@@H+](CCOC)Cc1sccc1C#CC[NH3+] ZINC000043684190 175092943 /nfs/dbraw/zinc/09/29/43/175092943.db2.gz DCCNQANMNLHDBT-ZDUSSCGKSA-N 2 1 280.437 2.305 10 30 CEEEMP CCO[C@H]1CCC[N@@H+](Cc2sccc2C#CC[NH3+])C1 ZINC000043684110 175093167 /nfs/dbraw/zinc/09/31/67/175093167.db2.gz ZCBGHMCTHGFYBO-AWEZNQCLSA-N 2 1 278.421 2.059 10 30 CEEEMP CC(C)c1[nH+]ccn1Cc1cc(C#CC[NH3+])cs1 ZINC000043689186 175096177 /nfs/dbraw/zinc/09/61/77/175096177.db2.gz PSFMPONUWMIABC-UHFFFAOYSA-N 2 1 259.378 2.427 10 30 CEEEMP CCCN[C@@](C)(C#N)CCC[NH+]1CCC([NH+](C)C)CC1 ZINC000045311113 175356383 /nfs/dbraw/zinc/35/63/83/175356383.db2.gz KWTUMGFBKXDRQO-MRXNPFEDSA-N 2 1 280.460 2.074 10 30 CEEEMP C=C(C)C[N@@H+](CC)C[C@@H]1CC[C@H](C[NH2+]C(C)C)O1 ZINC000052423546 518600527 /nfs/dbraw/zinc/60/05/27/518600527.db2.gz FSXFQVAKVHXVCU-CABCVRRESA-N 2 1 254.418 2.430 10 30 CEEEMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C#N)cc1 ZINC000054628394 521956263 /nfs/dbraw/zinc/95/62/63/521956263.db2.gz LPJMKRKSYLLYSC-MQVJKMGUSA-N 2 1 255.365 2.273 10 30 CEEEMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)cc1 ZINC000054628394 521956272 /nfs/dbraw/zinc/95/62/72/521956272.db2.gz LPJMKRKSYLLYSC-MQVJKMGUSA-N 2 1 255.365 2.273 10 30 CEEEMP CCC[N@@H+](Cc1cccnc1C#N)C1CCC([NH3+])CC1 ZINC000091852623 180272681 /nfs/dbraw/zinc/27/26/81/180272681.db2.gz GVTPAUKIJUGWRU-UHFFFAOYSA-N 2 1 272.396 2.435 10 30 CEEEMP C#C[C@H](C)[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000306717038 376554034 /nfs/dbraw/zinc/55/40/34/376554034.db2.gz GXVWJKXLSKDQIF-RYQLBKOJSA-N 2 1 268.404 2.462 10 30 CEEEMP C#C[C@H](C)[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000306717038 376554040 /nfs/dbraw/zinc/55/40/40/376554040.db2.gz GXVWJKXLSKDQIF-RYQLBKOJSA-N 2 1 268.404 2.462 10 30 CEEEMP C#C[C@H](C)[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000306717038 376554045 /nfs/dbraw/zinc/55/40/45/376554045.db2.gz GXVWJKXLSKDQIF-RYQLBKOJSA-N 2 1 268.404 2.462 10 30 CEEEMP C[N@@H+](CCc1ccccn1)Cc1sccc1C#CC[NH3+] ZINC000043683580 175092357 /nfs/dbraw/zinc/09/23/57/175092357.db2.gz FTSATYYMHYIJRJ-UHFFFAOYSA-N 2 1 285.416 2.128 10 30 CEEEMP COc1ccc(C[N@@H+](C)CC(C)(C)C)cc1C#CC[NH3+] ZINC000045086734 175304509 /nfs/dbraw/zinc/30/45/09/175304509.db2.gz HBJFCDMBSVPRPL-UHFFFAOYSA-N 2 1 274.408 2.483 10 30 CEEEMP C[C@@](N)(C#N)CCCC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000045313158 175357517 /nfs/dbraw/zinc/35/75/17/175357517.db2.gz RWWFWEOTBXFCTH-KRWDZBQOSA-N 2 1 292.471 2.348 10 30 CEEEMP CCCN[C@](C)(C#N)C[C@H](C)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000068616245 520102514 /nfs/dbraw/zinc/10/25/14/520102514.db2.gz YMQWVYMACXKFPB-RDJZCZTQSA-N 2 1 294.487 2.320 10 30 CEEEMP CCC(CC)[N@@H+](C)CCOc1cccc(C#CC[NH3+])c1 ZINC000049609252 521542084 /nfs/dbraw/zinc/54/20/84/521542084.db2.gz URNZQTNCHXSBHF-UHFFFAOYSA-N 2 1 274.408 2.496 10 30 CEEEMP C[N@H+](Cc1ccncc1)Cc1ccc(F)cc1C#CC[NH3+] ZINC000049609303 523461672 /nfs/dbraw/zinc/46/16/72/523461672.db2.gz CKAVMCMTYZOFTJ-UHFFFAOYSA-N 2 1 283.350 2.163 10 30 CEEEMP C[N@@H+](Cc1ccncc1)Cc1ccc(F)cc1C#CC[NH3+] ZINC000049609303 523461683 /nfs/dbraw/zinc/46/16/83/523461683.db2.gz CKAVMCMTYZOFTJ-UHFFFAOYSA-N 2 1 283.350 2.163 10 30 CEEEMP C[C@@H](C1CC1)[N@@H+](C)CCOc1cccc(C#CC[NH3+])c1 ZINC000049609211 524320131 /nfs/dbraw/zinc/32/01/31/524320131.db2.gz VJXRYEYRDRTFNY-AWEZNQCLSA-N 2 1 272.392 2.106 10 30 CEEEMP C#CCC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000070246136 641651006 /nfs/dbraw/zinc/65/10/06/641651006.db2.gz OGCORHGVGDUDGE-UHFFFAOYSA-N 2 1 256.393 2.306 10 30 CEEEMP C=CCC[C@H]([NH2+]CCC)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091722294 180239787 /nfs/dbraw/zinc/23/97/87/180239787.db2.gz ZIQXSQRZLIYCBM-QLFBSQMISA-N 2 1 252.402 2.184 10 30 CEEEMP C=CCC[C@H]([NH2+]CCC)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091722294 180239790 /nfs/dbraw/zinc/23/97/90/180239790.db2.gz ZIQXSQRZLIYCBM-QLFBSQMISA-N 2 1 252.402 2.184 10 30 CEEEMP C=C(C)C[C@H]([NH2+]CCC)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000092130325 180329688 /nfs/dbraw/zinc/32/96/88/180329688.db2.gz OASHJGPMZCFNAV-ILXRZTDVSA-N 2 1 252.402 2.184 10 30 CEEEMP C=C(C)C[C@H]([NH2+]CCC)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000092130325 180329690 /nfs/dbraw/zinc/32/96/90/180329690.db2.gz OASHJGPMZCFNAV-ILXRZTDVSA-N 2 1 252.402 2.184 10 30 CEEEMP CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1ccc(C#CC[NH3+])s1 ZINC000043683976 175092007 /nfs/dbraw/zinc/09/20/07/175092007.db2.gz IEEANJQYYGGUBS-OLZOCXBDSA-N 2 1 278.421 2.058 10 30 CEEEMP CC[C@H]1CO[C@H](C)C[N@H+]1Cc1ccc(C#CC[NH3+])s1 ZINC000043683976 175092008 /nfs/dbraw/zinc/09/20/08/175092008.db2.gz IEEANJQYYGGUBS-OLZOCXBDSA-N 2 1 278.421 2.058 10 30 CEEEMP C[N@H+](Cc1ccco1)Cc1sccc1C#CC[NH3+] ZINC000043683682 175092065 /nfs/dbraw/zinc/09/20/65/175092065.db2.gz XRPTVWAHWAUTIO-UHFFFAOYSA-N 2 1 260.362 2.283 10 30 CEEEMP C[N@@H+](Cc1ccco1)Cc1sccc1C#CC[NH3+] ZINC000043683682 175092067 /nfs/dbraw/zinc/09/20/67/175092067.db2.gz XRPTVWAHWAUTIO-UHFFFAOYSA-N 2 1 260.362 2.283 10 30 CEEEMP CC[C@@H](C)[N@@H+](CCOC)Cc1cc(C#CC[NH3+])cs1 ZINC000043689104 175095618 /nfs/dbraw/zinc/09/56/18/175095618.db2.gz UJXZEYFAYFVDTN-CYBMUJFWSA-N 2 1 280.437 2.305 10 30 CEEEMP CC[NH+]=C(NCC(C)(C)C)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000179199280 329206131 /nfs/dbraw/zinc/20/61/31/329206131.db2.gz FLUOCTWUPQLXCZ-UONOGXRCSA-N 2 1 282.476 2.316 10 30 CEEEMP CC[NH+]=C(NC[C@H](C)[N@H+]1CCC[C@H](C)C1)N[C@@H]1C[C@H]1C ZINC000262689741 330027393 /nfs/dbraw/zinc/02/73/93/330027393.db2.gz BZFOINNOYQUAOU-LJISPDSOSA-N 2 1 280.460 2.070 10 30 CEEEMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])N[C@H]1CCC12CCCC2 ZINC000263269311 330051270 /nfs/dbraw/zinc/05/12/70/330051270.db2.gz OPSRHKUWHLWSLO-KBPBESRZSA-N 2 1 278.444 2.098 10 30 CEEEMP CCCN[C@@](C)(C#N)C[C@@H](C)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000068616243 520031927 /nfs/dbraw/zinc/03/19/27/520031927.db2.gz YMQWVYMACXKFPB-NVXWUHKLSA-N 2 1 294.487 2.320 10 30 CEEEMP CC[C@@H](C)C[N@@H+](C)Cc1ccc(OC)c(C#CC[NH3+])c1 ZINC000049609021 521970825 /nfs/dbraw/zinc/97/08/25/521970825.db2.gz ODFFNGYLRHBWFX-CQSZACIVSA-N 2 1 274.408 2.483 10 30 CEEEMP C[N@@H+](Cc1ccc(C#CC[NH3+])cc1)Cc1ccccn1 ZINC000049609242 523205093 /nfs/dbraw/zinc/20/50/93/523205093.db2.gz VKWNOQKCKVJTPY-UHFFFAOYSA-N 2 1 265.360 2.024 10 30 CEEEMP COc1ccc(C#CC[NH3+])cc1C[N@@H+](C)CC(C)C ZINC000049608986 523513601 /nfs/dbraw/zinc/51/36/01/523513601.db2.gz QVEVAMJPPDZQLN-UHFFFAOYSA-N 2 1 260.381 2.093 10 30 CEEEMP C[C@H]1CCC[N@@H+](CCOc2ccc(C#CC[NH3+])cc2)CC1 ZINC000110808304 186325996 /nfs/dbraw/zinc/32/59/96/186325996.db2.gz FROKVWFTSYMMHV-INIZCTEOSA-N 2 1 286.419 2.498 10 30 CEEEMP Cc1cc(N2CCN3CCCC[C@@H]3C2)c(C#N)c(C)n1 ZINC000156591980 395033396 /nfs/dbraw/zinc/03/33/96/395033396.db2.gz PBODXILEPUZZRQ-CQSZACIVSA-N 2 1 270.380 2.245 10 30 CEEEMP CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1sccc1C#CC[NH3+] ZINC000043683982 175091820 /nfs/dbraw/zinc/09/18/20/175091820.db2.gz XOCYGZSFEBVBFR-TZMCWYRMSA-N 2 1 278.421 2.058 10 30 CEEEMP CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1sccc1C#CC[NH3+] ZINC000043683982 175091821 /nfs/dbraw/zinc/09/18/21/175091821.db2.gz XOCYGZSFEBVBFR-TZMCWYRMSA-N 2 1 278.421 2.058 10 30 CEEEMP CN[C@](C)(C#N)CCC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000045313152 175357155 /nfs/dbraw/zinc/35/71/55/175357155.db2.gz NHLDIUXKJISBFR-KRWDZBQOSA-N 2 1 292.471 2.219 10 30 CEEEMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=[NH2+])N1CCC[C@@H](C)C1 ZINC000130838398 264368910 /nfs/dbraw/zinc/36/89/10/264368910.db2.gz BIAYMBSCSBAYIA-HUUCEWRRSA-N 2 1 280.460 2.153 10 30 CEEEMP CC[NH+]=C(NC[C@H]1CCC[N@H+]1C)N1CCc2ccccc21 ZINC000263260679 330050860 /nfs/dbraw/zinc/05/08/60/330050860.db2.gz SLVHKULSAMHJGW-OAHLLOKOSA-N 2 1 286.423 2.109 10 30 CEEEMP CC[NH+]=C(NC[C@@H]1CCC[N@H+]1C)N1CCc2ccccc21 ZINC000263260678 330050951 /nfs/dbraw/zinc/05/09/51/330050951.db2.gz SLVHKULSAMHJGW-HNNXBMFYSA-N 2 1 286.423 2.109 10 30 CEEEMP C[N@H+](Cc1cccnc1)Cc1ccc(F)c(C#CC[NH3+])c1 ZINC000049609288 523418828 /nfs/dbraw/zinc/41/88/28/523418828.db2.gz MIOORISPKUHYHB-UHFFFAOYSA-N 2 1 283.350 2.163 10 30 CEEEMP C[N@@H+](Cc1cccnc1)Cc1ccc(F)c(C#CC[NH3+])c1 ZINC000049609288 523418843 /nfs/dbraw/zinc/41/88/43/523418843.db2.gz MIOORISPKUHYHB-UHFFFAOYSA-N 2 1 283.350 2.163 10 30 CEEEMP COc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1C#CC[NH3+] ZINC000049608396 524026843 /nfs/dbraw/zinc/02/68/43/524026843.db2.gz ASYKZXDZXUVAEK-AWEZNQCLSA-N 2 1 272.392 2.380 10 30 CEEEMP C[N@@H+](Cc1ccc(C#N)c(F)c1)C[C@H]1CC[NH+](C)C1 ZINC000403996244 529983472 /nfs/dbraw/zinc/98/34/72/529983472.db2.gz LGPKKFFIUKVULD-ZDUSSCGKSA-N 2 1 261.344 2.081 10 30 CEEEMP C[N@H+](Cc1ccc(C#N)c(F)c1)C[C@H]1CC[NH+](C)C1 ZINC000403996244 529983473 /nfs/dbraw/zinc/98/34/73/529983473.db2.gz LGPKKFFIUKVULD-ZDUSSCGKSA-N 2 1 261.344 2.081 10 30 CEEEMP C[NH+](Cc1ccc(C#N)c(F)c1)C[C@H]1CC[N@H+](C)C1 ZINC000403996244 529983474 /nfs/dbraw/zinc/98/34/74/529983474.db2.gz LGPKKFFIUKVULD-ZDUSSCGKSA-N 2 1 261.344 2.081 10 30 CEEEMP C[NH+](Cc1ccc(C#N)c(F)c1)C[C@H]1CC[N@@H+](C)C1 ZINC000403996244 529983476 /nfs/dbraw/zinc/98/34/76/529983476.db2.gz LGPKKFFIUKVULD-ZDUSSCGKSA-N 2 1 261.344 2.081 10 30 CEEEMP N#Cc1ccc(C[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)s1 ZINC000328636581 344757136 /nfs/dbraw/zinc/75/71/36/344757136.db2.gz OCVNZHUFICVLBE-NSHDSACASA-N 2 1 272.377 2.168 10 30 CEEEMP C[NH2+]C1CCC([N@@H+](C)CCOc2ccc(C#N)cc2)CC1 ZINC000091873120 180278143 /nfs/dbraw/zinc/27/81/43/180278143.db2.gz JSPDASRELMGERJ-UHFFFAOYSA-N 2 1 287.407 2.399 10 30 CEEEMP C=C(C)C[C@H]([NH2+]CCC)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000092130328 180330028 /nfs/dbraw/zinc/33/00/28/180330028.db2.gz OASHJGPMZCFNAV-QLFBSQMISA-N 2 1 252.402 2.184 10 30 CEEEMP C=C(C)C[C@H]([NH2+]CCC)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000092130328 180330029 /nfs/dbraw/zinc/33/00/29/180330029.db2.gz OASHJGPMZCFNAV-QLFBSQMISA-N 2 1 252.402 2.184 10 30 CEEEMP CCC(CC)[N@H+](CCC[C@@](C)([NH3+])C#N)CCOC ZINC000045319519 175359026 /nfs/dbraw/zinc/35/90/26/175359026.db2.gz RDPSRIAAPVDRHC-CQSZACIVSA-N 2 1 255.406 2.145 10 30 CEEEMP CCC(CC)[N@@H+](CCC[C@@](C)([NH3+])C#N)CCOC ZINC000045319519 175359028 /nfs/dbraw/zinc/35/90/28/175359028.db2.gz RDPSRIAAPVDRHC-CQSZACIVSA-N 2 1 255.406 2.145 10 30 CEEEMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=[NH2+])N1CCC[C@H](C)C1 ZINC000130838607 264369329 /nfs/dbraw/zinc/36/93/29/264369329.db2.gz BIAYMBSCSBAYIA-LSDHHAIUSA-N 2 1 280.460 2.153 10 30 CEEEMP CC[NH+]=C(NC[C@H](C)[N@H+]1CCCC[C@@H]1C)N[C@@H]1C[C@H]1C ZINC000262765234 330030196 /nfs/dbraw/zinc/03/01/96/330030196.db2.gz GGWXNIIOKYCKQD-CBBWQLFWSA-N 2 1 280.460 2.213 10 30 CEEEMP CC(C)N[C@@](C)(C#N)C[C@@H](C)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000068616270 519735869 /nfs/dbraw/zinc/73/58/69/519735869.db2.gz UITIBGYXJXQSIC-NVXWUHKLSA-N 2 1 294.487 2.319 10 30 CEEEMP C[NH+]=C(NCCC1=CCCC1)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000261935053 629345342 /nfs/dbraw/zinc/34/53/42/629345342.db2.gz CGCLBEVFKHNBER-GDBMZVCRSA-N 2 1 292.471 2.381 10 30 CEEEMP C[C@H]1C[N@@H+](Cc2ccc(F)cc2C#CC[NH3+])C[C@H]1C ZINC000092087007 180321789 /nfs/dbraw/zinc/32/17/89/180321789.db2.gz MKPGYGAFXZKGKO-BETUJISGSA-N 2 1 260.356 2.224 10 30 CEEEMP CC(C)C[N@H+](CCC#N)Cc1cc(C#CC[NH3+])cs1 ZINC000043689138 175096181 /nfs/dbraw/zinc/09/61/81/175096181.db2.gz XALJKAGCXMOVJO-UHFFFAOYSA-N 2 1 275.421 2.430 10 30 CEEEMP CC(C)C[N@@H+](CCC#N)Cc1cc(C#CC[NH3+])cs1 ZINC000043689138 175096183 /nfs/dbraw/zinc/09/61/83/175096183.db2.gz XALJKAGCXMOVJO-UHFFFAOYSA-N 2 1 275.421 2.430 10 30 CEEEMP CCN[C@@](C)(C#N)CCCC[NH+]1CCC([NH+](C)C)CC1 ZINC000045311149 175356680 /nfs/dbraw/zinc/35/66/80/175356680.db2.gz XTVSKUJGBSNSHJ-MRXNPFEDSA-N 2 1 280.460 2.074 10 30 CEEEMP CC[NH+]=C(NC1CCC1)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000262784728 330031266 /nfs/dbraw/zinc/03/12/66/330031266.db2.gz MAGXOQXTOIRMJC-AWEZNQCLSA-N 2 1 278.444 2.111 10 30 CEEEMP CC[N@H+](Cc1ccc(F)c(C#CC[NH3+])c1)C[C@@H]1CCCO1 ZINC000049609566 521313050 /nfs/dbraw/zinc/31/30/50/521313050.db2.gz HOCIFHOJNCEPKG-INIZCTEOSA-N 2 1 290.382 2.137 10 30 CEEEMP C[N@@H+](CCOc1ccc(C#CC[NH3+])cc1)C1CCCC1 ZINC000049608923 522904157 /nfs/dbraw/zinc/90/41/57/522904157.db2.gz GWBORPJXNXNUKL-UHFFFAOYSA-N 2 1 272.392 2.250 10 30 CEEEMP CC[C@H]1CCC[N@H+]1Cc1cc(C#CC[NH3+])ccc1OC ZINC000049608265 523107172 /nfs/dbraw/zinc/10/71/72/523107172.db2.gz HSIJCLXYFGSUAI-INIZCTEOSA-N 2 1 272.392 2.380 10 30 CEEEMP C[N@H+](Cc1ccoc1)Cc1ccc(F)c(C#CC[NH3+])c1 ZINC000049609741 523474409 /nfs/dbraw/zinc/47/44/09/523474409.db2.gz GPTMYKWWUXTKQZ-UHFFFAOYSA-N 2 1 272.323 2.361 10 30 CEEEMP C[N@@H+](Cc1ccoc1)Cc1ccc(F)c(C#CC[NH3+])c1 ZINC000049609741 523474419 /nfs/dbraw/zinc/47/44/19/523474419.db2.gz GPTMYKWWUXTKQZ-UHFFFAOYSA-N 2 1 272.323 2.361 10 30 CEEEMP C[C@H]1CCC[N@@H+](Cc2ccc(F)c(C#CC[NH3+])c2)C1 ZINC000049608476 524097478 /nfs/dbraw/zinc/09/74/78/524097478.db2.gz FHXCUPWRZDVFQC-ZDUSSCGKSA-N 2 1 260.356 2.368 10 30 CEEEMP C[C@@H]1CCC[N@@H+](Cc2ccc(F)c(C#CC[NH3+])c2)C1 ZINC000049608475 524236542 /nfs/dbraw/zinc/23/65/42/524236542.db2.gz FHXCUPWRZDVFQC-CYBMUJFWSA-N 2 1 260.356 2.368 10 30 CEEEMP COc1ccc(NC(=[NH2+])NC[C@@H]2CCC[N@H+]2C)cc1Cl ZINC000262007283 629429118 /nfs/dbraw/zinc/42/91/18/629429118.db2.gz RYBQHBGPRLZWJS-NSHDSACASA-N 2 1 296.802 2.169 10 30 CEEEMP C=CCC[C@@H](O)C[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000125237874 187175858 /nfs/dbraw/zinc/17/58/58/187175858.db2.gz YPDKXCBIBORESX-JKSUJKDBSA-N 2 1 289.423 2.451 10 30 CEEEMP C=CCC[C@@H](O)C[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000125237874 187175859 /nfs/dbraw/zinc/17/58/59/187175859.db2.gz YPDKXCBIBORESX-JKSUJKDBSA-N 2 1 289.423 2.451 10 30 CEEEMP COc1ccc(C#CC[NH3+])c(C[N@H+]2C[C@H](C)[C@H](C)C2)c1 ZINC000092086992 180321600 /nfs/dbraw/zinc/32/16/00/180321600.db2.gz GGOJRPUBUCQFTG-OKILXGFUSA-N 2 1 272.392 2.093 10 30 CEEEMP CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1ccc(C#CC[NH3+])s1 ZINC000043683978 175091794 /nfs/dbraw/zinc/09/17/94/175091794.db2.gz IEEANJQYYGGUBS-QWHCGFSZSA-N 2 1 278.421 2.058 10 30 CEEEMP CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1ccc(C#CC[NH3+])s1 ZINC000043683978 175091796 /nfs/dbraw/zinc/09/17/96/175091796.db2.gz IEEANJQYYGGUBS-QWHCGFSZSA-N 2 1 278.421 2.058 10 30 CEEEMP CCCO[C@H]1CCC[N@@H+](Cc2sccc2C#CC[NH3+])C1 ZINC000043684102 175092283 /nfs/dbraw/zinc/09/22/83/175092283.db2.gz OTDIRLWMEOSUNK-HNNXBMFYSA-N 2 1 292.448 2.449 10 30 CEEEMP CCCO[C@H]1CCC[N@@H+](Cc2cc(C#CC[NH3+])cs2)C1 ZINC000043689069 175095349 /nfs/dbraw/zinc/09/53/49/175095349.db2.gz AAPZOHYYYQIENX-HNNXBMFYSA-N 2 1 292.448 2.449 10 30 CEEEMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1c(C)nn(CC)c1C ZINC000328048872 330290378 /nfs/dbraw/zinc/29/03/78/330290378.db2.gz YWDSBKGAHMIEBZ-CYBMUJFWSA-N 2 1 276.428 2.126 10 30 CEEEMP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1c(C)nn(CC)c1C ZINC000328048872 330290379 /nfs/dbraw/zinc/29/03/79/330290379.db2.gz YWDSBKGAHMIEBZ-CYBMUJFWSA-N 2 1 276.428 2.126 10 30 CEEEMP CC(C)c1[nH+]ccn1Cc1ccccc1C#CC[NH3+] ZINC000049610130 519879975 /nfs/dbraw/zinc/87/99/75/519879975.db2.gz WBROWOXEHIHBQI-UHFFFAOYSA-N 2 1 253.349 2.365 10 30 CEEEMP C[N@@H+](CCc1ccccn1)Cc1cccc(C#CC[NH3+])c1 ZINC000049608777 522965225 /nfs/dbraw/zinc/96/52/25/522965225.db2.gz ZQNJHHHNWOJRSW-UHFFFAOYSA-N 2 1 279.387 2.066 10 30 CEEEMP CC[NH+]=C(NCC1(C)CC1)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000261990099 629413520 /nfs/dbraw/zinc/41/35/20/629413520.db2.gz RCRLGIMCAQFGJV-UONOGXRCSA-N 2 1 280.460 2.070 10 30 CEEEMP C=CC[NH+](CC=C)C[C@]1(C[NH2+]CCC)CCCOC1 ZINC000111325099 186399263 /nfs/dbraw/zinc/39/92/63/186399263.db2.gz TUJAWKVATZEGQV-MRXNPFEDSA-N 2 1 266.429 2.457 10 30 CEEEMP C[NH+]=C(NC[C@@H]1CCC[N@H+]1C)N1CC[C@@H](CC(C)C)C1 ZINC000262424806 330009510 /nfs/dbraw/zinc/00/95/10/330009510.db2.gz CIYYEIMEFIRPDP-GJZGRUSLSA-N 2 1 280.460 2.024 10 30 CEEEMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])N[C@@H]1CCC12CCCC2 ZINC000263269313 330051407 /nfs/dbraw/zinc/05/14/07/330051407.db2.gz OPSRHKUWHLWSLO-UONOGXRCSA-N 2 1 278.444 2.098 10 30 CEEEMP CC[N@H+](Cc1ccc(OC)c(C#CC[NH3+])c1)CC(C)C ZINC000049608847 521322395 /nfs/dbraw/zinc/32/23/95/521322395.db2.gz ANDDGNPUPFBMQA-UHFFFAOYSA-N 2 1 274.408 2.483 10 30 CEEEMP C[N@H+](Cc1ccc(F)cc1C#CC[NH3+])C[C@H]1CCCCO1 ZINC000049609533 523253713 /nfs/dbraw/zinc/25/37/13/523253713.db2.gz YHOUGSVCKXUZGZ-QGZVFWFLSA-N 2 1 290.382 2.137 10 30 CEEEMP C[N@@H+](Cc1ccncc1)Cc1ccc(C#CC[NH3+])cc1 ZINC000049609300 523461919 /nfs/dbraw/zinc/46/19/19/523461919.db2.gz RZAJRSDYCZNDIC-UHFFFAOYSA-N 2 1 265.360 2.024 10 30 CEEEMP C=C(CC)C[C@H]([NH2+]CC)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721948 180241053 /nfs/dbraw/zinc/24/10/53/180241053.db2.gz BHNYIYPYXPQKJG-ILXRZTDVSA-N 2 1 252.402 2.184 10 30 CEEEMP C=C(CC)C[C@H]([NH2+]CC)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091721948 180241054 /nfs/dbraw/zinc/24/10/54/180241054.db2.gz BHNYIYPYXPQKJG-ILXRZTDVSA-N 2 1 252.402 2.184 10 30 CEEEMP C[N@@H+](CCOc1ccc(C#N)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746831 174391865 /nfs/dbraw/zinc/39/18/65/174391865.db2.gz UKPFIRAMAOIMEQ-XYPWUTKMSA-N 2 1 285.391 2.152 10 30 CEEEMP C[N@H+](Cc1ccc(C#CC[NH3+])s1)Cc1ccccn1 ZINC000043683712 175092017 /nfs/dbraw/zinc/09/20/17/175092017.db2.gz CHZGQCFOTRALTG-UHFFFAOYSA-N 2 1 271.389 2.085 10 30 CEEEMP C[N@@H+](Cc1ccc(C#CC[NH3+])s1)Cc1ccccn1 ZINC000043683712 175092019 /nfs/dbraw/zinc/09/20/19/175092019.db2.gz CHZGQCFOTRALTG-UHFFFAOYSA-N 2 1 271.389 2.085 10 30 CEEEMP CCCN[C@@](C)(C#N)C[C@H](C)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000068616250 520032058 /nfs/dbraw/zinc/03/20/58/520032058.db2.gz YMQWVYMACXKFPB-DOTOQJQBSA-N 2 1 294.487 2.320 10 30 CEEEMP COc1ccc(C#CC[NH3+])cc1C[N@@H+](C)C1CCCC1 ZINC000049608926 523514348 /nfs/dbraw/zinc/51/43/48/523514348.db2.gz XEAVJXOJDAUFED-UHFFFAOYSA-N 2 1 272.392 2.380 10 30 CEEEMP COc1ccc(C[N@@H+](C)C2CCCC2)cc1C#CC[NH3+] ZINC000049608927 524002346 /nfs/dbraw/zinc/00/23/46/524002346.db2.gz KXUCYUVAUAQXBJ-UHFFFAOYSA-N 2 1 272.392 2.380 10 30 CEEEMP COc1ccc(C[N@@H+](C)Cc2ccoc2)cc1C#CC[NH3+] ZINC000049609736 524005488 /nfs/dbraw/zinc/00/54/88/524005488.db2.gz XDSILFXFMQEYMZ-UHFFFAOYSA-N 2 1 284.359 2.230 10 30 CEEEMP CC[N@H+](Cc1ccc(C#CC[NH3+])s1)C[C@H]1CCCO1 ZINC000043683824 175091610 /nfs/dbraw/zinc/09/16/10/175091610.db2.gz WBSIIVMFOKJVPV-CYBMUJFWSA-N 2 1 278.421 2.059 10 30 CEEEMP CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1cc(C#CC[NH3+])cs1 ZINC000043689016 175095483 /nfs/dbraw/zinc/09/54/83/175095483.db2.gz OUECPBZJTHMKIS-JSGCOSHPSA-N 2 1 278.421 2.058 10 30 CEEEMP CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1cc(C#CC[NH3+])cs1 ZINC000043689016 175095485 /nfs/dbraw/zinc/09/54/85/175095485.db2.gz OUECPBZJTHMKIS-JSGCOSHPSA-N 2 1 278.421 2.058 10 30 CEEEMP [NH3+]CC#Cc1csc(C[N@@H+](CCO)C2CCCCC2)c1 ZINC000043689096 175096066 /nfs/dbraw/zinc/09/60/66/175096066.db2.gz YIXOJQLNMXGEPW-UHFFFAOYSA-N 2 1 292.448 2.185 10 30 CEEEMP C[N@@H+](Cc1ccc(F)cc1C#CC[NH3+])[C@@H]1CCSC1 ZINC000049609009 523252836 /nfs/dbraw/zinc/25/28/36/523252836.db2.gz QKCXKCARGSFLCI-OAHLLOKOSA-N 2 1 278.396 2.073 10 30 CEEEMP COc1ccc(C#CC[NH3+])cc1C[N@H+]1CCC[C@H](C)C1 ZINC000049608464 523513267 /nfs/dbraw/zinc/51/32/67/523513267.db2.gz JPVULOLDXYCPPU-AWEZNQCLSA-N 2 1 272.392 2.237 10 30 CEEEMP CC[NH+]=C(NCC1(C)CC1)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000261990100 629414306 /nfs/dbraw/zinc/41/43/06/629414306.db2.gz RCRLGIMCAQFGJV-ZIAGYGMSSA-N 2 1 280.460 2.070 10 30 CEEEMP CCO[C@@H]1CCC[N@@H+](Cc2cc(C#CC[NH3+])cs2)C1 ZINC000043689071 175095267 /nfs/dbraw/zinc/09/52/67/175095267.db2.gz HCKWPBSFCVPCBZ-CQSZACIVSA-N 2 1 278.421 2.059 10 30 CEEEMP C=CC[NH+](CC=C)CC1(C[NH2+]C(C)C)CCOCC1 ZINC000052181531 518768630 /nfs/dbraw/zinc/76/86/30/518768630.db2.gz YHVHGCHUIRIPKP-UHFFFAOYSA-N 2 1 266.429 2.455 10 30 CEEEMP CC[N@@H+](Cc1ccncc1)Cc1ccccc1C#CC[NH3+] ZINC000049609652 521422665 /nfs/dbraw/zinc/42/26/65/521422665.db2.gz SYSZVAUZLSZOCF-UHFFFAOYSA-N 2 1 279.387 2.414 10 30 CEEEMP CCC[N@@H+](CCOc1ccc(C#CC[NH3+])cc1)C(C)C ZINC000049608953 521669638 /nfs/dbraw/zinc/66/96/38/521669638.db2.gz JTGKZILHDJZOAK-UHFFFAOYSA-N 2 1 274.408 2.496 10 30 CEEEMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(C#N)c1 ZINC000054628421 521956316 /nfs/dbraw/zinc/95/63/16/521956316.db2.gz STUDCCNNEXYCSZ-MQVJKMGUSA-N 2 1 255.365 2.273 10 30 CEEEMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(C#N)c1 ZINC000054628421 521956320 /nfs/dbraw/zinc/95/63/20/521956320.db2.gz STUDCCNNEXYCSZ-MQVJKMGUSA-N 2 1 255.365 2.273 10 30 CEEEMP C[N@H+](Cc1ccco1)Cc1ccc(F)c(C#CC[NH3+])c1 ZINC000049609124 523434061 /nfs/dbraw/zinc/43/40/61/523434061.db2.gz SSHZUGQERGQZIK-UHFFFAOYSA-N 2 1 272.323 2.361 10 30 CEEEMP C[N@@H+](Cc1ccco1)Cc1ccc(F)c(C#CC[NH3+])c1 ZINC000049609124 523434070 /nfs/dbraw/zinc/43/40/70/523434070.db2.gz SSHZUGQERGQZIK-UHFFFAOYSA-N 2 1 272.323 2.361 10 30 CEEEMP COc1ccc(C#CC[NH3+])cc1C[N@@H+](C)[C@H](C)C1CC1 ZINC000049609208 523514928 /nfs/dbraw/zinc/51/49/28/523514928.db2.gz GJWGNYPVPXDRBW-CYBMUJFWSA-N 2 1 272.392 2.236 10 30 CEEEMP COc1ccc(C[N@@H+](C)[C@@H](C)C(C)C)cc1C#CC[NH3+] ZINC000049609230 524010279 /nfs/dbraw/zinc/01/02/79/524010279.db2.gz GJHAOIUBVSFIEZ-AWEZNQCLSA-N 2 1 274.408 2.482 10 30 CEEEMP CC[NH+]=C(NC[C@@H]1CCC[N@H+]1C)N1CC[C@](C)(CC)C1 ZINC000261788117 629231717 /nfs/dbraw/zinc/23/17/17/629231717.db2.gz PZYHLLFSJUBIFX-HOCLYGCPSA-N 2 1 280.460 2.168 10 30 CEEEMP C=C(Br)C[N@@H+](CC1CC[NH2+]CC1)C1CC1 ZINC000086703841 179321513 /nfs/dbraw/zinc/32/15/13/179321513.db2.gz ODYFEQVTRWHGDI-UHFFFAOYSA-N 2 1 273.218 2.359 10 30 CEEEMP CCC[N@H+]1CCC[C@@](C#N)(NCC[NH+](CC)CC)CC1 ZINC000086849279 179357949 /nfs/dbraw/zinc/35/79/49/179357949.db2.gz SJMYSCOJACVQJT-MRXNPFEDSA-N 2 1 280.460 2.076 10 30 CEEEMP Cc1ncsc1C[N@@H+](C)Cc1sccc1C#CC[NH3+] ZINC000104433294 186000690 /nfs/dbraw/zinc/00/06/90/186000690.db2.gz CWRIUABFDZIDNI-UHFFFAOYSA-N 2 1 291.445 2.455 10 30 CEEEMP Cc1ncsc1C[N@H+](C)Cc1sccc1C#CC[NH3+] ZINC000104433294 186000692 /nfs/dbraw/zinc/00/06/92/186000692.db2.gz CWRIUABFDZIDNI-UHFFFAOYSA-N 2 1 291.445 2.455 10 30 CEEEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CCCC(C)(C)C#N)CC1 ZINC000174849664 261199465 /nfs/dbraw/zinc/19/94/65/261199465.db2.gz SBPJPMNQAGWKSC-OAHLLOKOSA-N 2 1 295.471 2.341 10 30 CEEEMP CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1ccc(C#CC[NH3+])s1 ZINC000043683974 175092172 /nfs/dbraw/zinc/09/21/72/175092172.db2.gz IEEANJQYYGGUBS-CHWSQXEVSA-N 2 1 278.421 2.058 10 30 CEEEMP CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1ccc(C#CC[NH3+])s1 ZINC000043683974 175092173 /nfs/dbraw/zinc/09/21/73/175092173.db2.gz IEEANJQYYGGUBS-CHWSQXEVSA-N 2 1 278.421 2.058 10 30 CEEEMP COCC[N@@H+](Cc1cc(C#CC[NH3+])cs1)[C@@H](C)C1CC1 ZINC000043689118 175096189 /nfs/dbraw/zinc/09/61/89/175096189.db2.gz MIILDKXUGVAXSK-ZDUSSCGKSA-N 2 1 292.448 2.305 10 30 CEEEMP CC(C)c1[nH+]ccn1Cc1cccc(C#CC[NH3+])c1 ZINC000049610136 519880170 /nfs/dbraw/zinc/88/01/70/519880170.db2.gz RGBGCEDNXDBTJF-UHFFFAOYSA-N 2 1 253.349 2.365 10 30 CEEEMP C[C@@H]1CCCC[N@H+]1CCOc1ccc(C#CC[NH3+])cc1 ZINC000049608387 524112751 /nfs/dbraw/zinc/11/27/51/524112751.db2.gz IKMDVOUASUDBHG-OAHLLOKOSA-N 2 1 272.392 2.250 10 30 CEEEMP [NH3+]CC#Cc1cc(F)ccc1C[N@H+]1CCCSCC1 ZINC000049609944 527146528 /nfs/dbraw/zinc/14/65/28/527146528.db2.gz MDUOZDBKTOWBBF-UHFFFAOYSA-N 2 1 278.396 2.075 10 30 CEEEMP OC[C@@H](C#CC[NH+]1CCCCCC1)[NH2+]Cc1ccccc1 ZINC000005518236 170106956 /nfs/dbraw/zinc/10/69/56/170106956.db2.gz YEQHWIRELCFWLP-GOSISDBHSA-N 2 1 286.419 2.017 10 30 CEEEMP C[N@@H+](CCc1ccncc1)Cc1cc(C#CC[NH3+])cs1 ZINC000043688944 175095217 /nfs/dbraw/zinc/09/52/17/175095217.db2.gz HHALPECYJNSGMG-UHFFFAOYSA-N 2 1 285.416 2.128 10 30 CEEEMP C[N@H+](CCCC[C@@](C)(C#N)NC1CC1)C1CC[NH+](C)CC1 ZINC000045307925 175356695 /nfs/dbraw/zinc/35/66/95/175356695.db2.gz FMKQTLLYSGNUIF-KRWDZBQOSA-N 2 1 292.471 2.217 10 30 CEEEMP C[N@@H+](CCCC[C@@](C)(C#N)NC1CC1)C1CC[NH+](C)CC1 ZINC000045307925 175356696 /nfs/dbraw/zinc/35/66/96/175356696.db2.gz FMKQTLLYSGNUIF-KRWDZBQOSA-N 2 1 292.471 2.217 10 30 CEEEMP CC[NH+]1CCC([N@H+](C)CCCC[C@@](C)(C#N)NC)CC1 ZINC000045317178 175358232 /nfs/dbraw/zinc/35/82/32/175358232.db2.gz MOJKKHLLHDHKTA-INIZCTEOSA-N 2 1 280.460 2.074 10 30 CEEEMP CC[NH+]1CCC([N@@H+](C)CCCC[C@@](C)(C#N)NC)CC1 ZINC000045317178 175358233 /nfs/dbraw/zinc/35/82/33/175358233.db2.gz MOJKKHLLHDHKTA-INIZCTEOSA-N 2 1 280.460 2.074 10 30 CEEEMP CCC[N@H+](Cc1ccnc(C#N)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000068757704 521691064 /nfs/dbraw/zinc/69/10/64/521691064.db2.gz JNEQAAYLMFGDQJ-FKEKPDDDSA-N 2 1 284.407 2.448 10 30 CEEEMP CCC[N@@H+](Cc1ccnc(C#N)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000068757704 521691066 /nfs/dbraw/zinc/69/10/66/521691066.db2.gz JNEQAAYLMFGDQJ-FKEKPDDDSA-N 2 1 284.407 2.448 10 30 CEEEMP CC[C@H]1CCC[N@H+]1CCOc1cccc(C#CC[NH3+])c1 ZINC000049608269 523107663 /nfs/dbraw/zinc/10/76/63/523107663.db2.gz FKSZPLHDLPMZFW-INIZCTEOSA-N 2 1 272.392 2.250 10 30 CEEEMP CC[C@H](C)C[N@@H+](C)Cc1ccc(OC)c(C#CC[NH3+])c1 ZINC000049609022 523868575 /nfs/dbraw/zinc/86/85/75/523868575.db2.gz ODFFNGYLRHBWFX-AWEZNQCLSA-N 2 1 274.408 2.483 10 30 CEEEMP C[C@H](C1CC1)[N@@H+](C)CCOc1ccc(C#CC[NH3+])cc1 ZINC000049609202 526203916 /nfs/dbraw/zinc/20/39/16/526203916.db2.gz SALBYANVLJHZAJ-CQSZACIVSA-N 2 1 272.392 2.106 10 30 CEEEMP [NH3+]CC#Cc1ccc(C[N@H+]2CCCSCC2)c(F)c1 ZINC000049609942 527148946 /nfs/dbraw/zinc/14/89/46/527148946.db2.gz OWMNGTIUQGKZOZ-UHFFFAOYSA-N 2 1 278.396 2.075 10 30 CEEEMP CC[NH+]=C(NC[C@H](C)[N@H+]1CCC[C@H](C)C1)N[C@@H]1C[C@@H]1C ZINC000083900354 625093960 /nfs/dbraw/zinc/09/39/60/625093960.db2.gz BZFOINNOYQUAOU-ZQDZILKHSA-N 2 1 280.460 2.070 10 30 CEEEMP CC[NH+](CC)CCN[C@]1(C#N)CCC[N@H+](C(C)C)CC1 ZINC000086849271 179357890 /nfs/dbraw/zinc/35/78/90/179357890.db2.gz OSYGUHLENXZVOQ-MRXNPFEDSA-N 2 1 280.460 2.074 10 30 CEEEMP C[NH+](C)CCC[N@@H+](C)CCCOc1ccc(C#N)cc1 ZINC000111137153 186357834 /nfs/dbraw/zinc/35/78/34/186357834.db2.gz MEVYJGGHUKTKNN-UHFFFAOYSA-N 2 1 275.396 2.211 10 30 CEEEMP COCC[N@H+](Cc1cc(C#CC[NH3+])cs1)CC(C)C ZINC000043689045 175095800 /nfs/dbraw/zinc/09/58/00/175095800.db2.gz VIPVHYFKIVEDBS-UHFFFAOYSA-N 2 1 280.437 2.163 10 30 CEEEMP C[NH2+]CC1CC[NH+](Cc2ccc(F)cc2C#N)CC1 ZINC000071264375 176098200 /nfs/dbraw/zinc/09/82/00/176098200.db2.gz ITIQGQABRMHLIB-UHFFFAOYSA-N 2 1 261.344 2.129 10 30 CEEEMP COc1ccc(C[N@@H+](C)[C@H](C)C2CC2)cc1C#CC[NH3+] ZINC000049609210 524009481 /nfs/dbraw/zinc/00/94/81/524009481.db2.gz HSLUUFVGKSGSNW-CYBMUJFWSA-N 2 1 272.392 2.236 10 30 CEEEMP Cc1nccn1C[C@H]1CCC[N@H+]1C[C@@H](C#N)CCC#N ZINC000247097542 371064823 /nfs/dbraw/zinc/06/48/23/371064823.db2.gz QCODXMMKDMHAQH-HUUCEWRRSA-N 2 1 271.368 2.099 10 30 CEEEMP C[N@H+](Cc1ccc(C#CC[NH3+])s1)Cc1cccnc1 ZINC000043683731 175091785 /nfs/dbraw/zinc/09/17/85/175091785.db2.gz MGNLNYLLBCBLOF-UHFFFAOYSA-N 2 1 271.389 2.085 10 30 CEEEMP C[N@@H+](Cc1ccc(C#CC[NH3+])s1)Cc1cccnc1 ZINC000043683731 175091787 /nfs/dbraw/zinc/09/17/87/175091787.db2.gz MGNLNYLLBCBLOF-UHFFFAOYSA-N 2 1 271.389 2.085 10 30 CEEEMP CCC(CC)[N@@H+](CCO)Cc1sccc1C#CC[NH3+] ZINC000043684170 175092626 /nfs/dbraw/zinc/09/26/26/175092626.db2.gz AOGHKBZUKNWTBM-UHFFFAOYSA-N 2 1 280.437 2.041 10 30 CEEEMP [NH3+]CC#Cc1ccc(C[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)s1 ZINC000043684281 175093309 /nfs/dbraw/zinc/09/33/09/175093309.db2.gz CTFOBZLMJTTZCV-JKSUJKDBSA-N 2 1 290.432 2.202 10 30 CEEEMP [NH3+]CC#Cc1ccc(C[N@H+]2CCO[C@@H]3CCCC[C@@H]32)s1 ZINC000043684281 175093311 /nfs/dbraw/zinc/09/33/11/175093311.db2.gz CTFOBZLMJTTZCV-JKSUJKDBSA-N 2 1 290.432 2.202 10 30 CEEEMP C[N@H+](Cc1cc(C#CC[NH3+])cs1)Cc1ccccn1 ZINC000043688923 175095594 /nfs/dbraw/zinc/09/55/94/175095594.db2.gz YRAKKPNYUXFVFW-UHFFFAOYSA-N 2 1 271.389 2.085 10 30 CEEEMP C[N@@H+](Cc1cc(C#CC[NH3+])cs1)Cc1ccccn1 ZINC000043688923 175095596 /nfs/dbraw/zinc/09/55/96/175095596.db2.gz YRAKKPNYUXFVFW-UHFFFAOYSA-N 2 1 271.389 2.085 10 30 CEEEMP CCN[C@](C)(C#N)CCCC[NH+]1CCC([NH+](C)C)CC1 ZINC000045311145 175356637 /nfs/dbraw/zinc/35/66/37/175356637.db2.gz XTVSKUJGBSNSHJ-INIZCTEOSA-N 2 1 280.460 2.074 10 30 CEEEMP CCCN[C@@](C)(C#N)CCC[N@H+](C)C1CC[NH+](CC)CC1 ZINC000045317150 175358114 /nfs/dbraw/zinc/35/81/14/175358114.db2.gz CAHNDPBNHGMVPS-QGZVFWFLSA-N 2 1 294.487 2.465 10 30 CEEEMP CCCN[C@@](C)(C#N)CCC[N@@H+](C)C1CC[NH+](CC)CC1 ZINC000045317150 175358116 /nfs/dbraw/zinc/35/81/16/175358116.db2.gz CAHNDPBNHGMVPS-QGZVFWFLSA-N 2 1 294.487 2.465 10 30 CEEEMP CC(C)CC[N@@H+](C)CCOc1cccc(C#CC[NH3+])c1 ZINC000049609903 519650911 /nfs/dbraw/zinc/65/09/11/519650911.db2.gz BYOAUHJYMBCFHX-UHFFFAOYSA-N 2 1 274.408 2.354 10 30 CEEEMP COc1ccc(C#CC[NH3+])cc1C[N@H+]1CCC[C@@H](C)C1 ZINC000049608463 523513290 /nfs/dbraw/zinc/51/32/90/523513290.db2.gz JPVULOLDXYCPPU-CQSZACIVSA-N 2 1 272.392 2.237 10 30 CEEEMP CCCNC(=[NH2+])NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000303902555 623293455 /nfs/dbraw/zinc/29/34/55/623293455.db2.gz XWWJATNSDOANND-INIZCTEOSA-N 2 1 288.439 2.355 10 30 CEEEMP Cc1ccc(C[N@H+](C)[C@H]2CCC[NH2+]CC2)cc1C#N ZINC000600709034 346674981 /nfs/dbraw/zinc/67/49/81/346674981.db2.gz NSKNSTVLHNWSLJ-INIZCTEOSA-N 2 1 257.381 2.441 10 30 CEEEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1ccc(C#N)o1 ZINC000180125341 189238352 /nfs/dbraw/zinc/23/83/52/189238352.db2.gz TYDYECGLPYHCJP-CYBMUJFWSA-N 2 1 270.336 2.321 10 30 CEEEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1ccc(C#N)o1 ZINC000180125341 189238353 /nfs/dbraw/zinc/23/83/53/189238353.db2.gz TYDYECGLPYHCJP-CYBMUJFWSA-N 2 1 270.336 2.321 10 30 CEEEMP C=C(Br)C[NH+]1CCC(CC[NH2+]C)CC1 ZINC000069730642 518581876 /nfs/dbraw/zinc/58/18/76/518581876.db2.gz WOKVLLVRRKKUAG-UHFFFAOYSA-N 2 1 261.207 2.217 10 30 CEEEMP C=C(C)C[N@@H+](CC)C[C@H]1CC[C@H](C[NH2+]C(C)C)O1 ZINC000052423548 518598798 /nfs/dbraw/zinc/59/87/98/518598798.db2.gz FSXFQVAKVHXVCU-HUUCEWRRSA-N 2 1 254.418 2.430 10 30 CEEEMP C[C@H]1CCC[N@@H+](CCOc2ccc(C#CC[NH3+])cc2)C1 ZINC000049608458 524090653 /nfs/dbraw/zinc/09/06/53/524090653.db2.gz CEOBNHRSPUBDBC-HNNXBMFYSA-N 2 1 272.392 2.108 10 30 CEEEMP C[C@@H]1C[C@H](C)C[N@H+](CCOc2ccc(C#CC[NH3+])cc2)C1 ZINC000049608622 525383188 /nfs/dbraw/zinc/38/31/88/525383188.db2.gz KQBFGMMXNGTDSN-IYBDPMFKSA-N 2 1 286.419 2.354 10 30 CEEEMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C#CC[NH3+])cc2)C1 ZINC000049608628 525385899 /nfs/dbraw/zinc/38/58/99/525385899.db2.gz MAHGCDIPTYSMCJ-GASCZTMLSA-N 2 1 256.393 2.475 10 30 CEEEMP N#CC1(c2ccc(F)cc2)CC[NH+](CCC[NH3+])CC1 ZINC000039080508 343435497 /nfs/dbraw/zinc/43/54/97/343435497.db2.gz UAIHIJUZHMMACW-UHFFFAOYSA-N 2 1 261.344 2.032 10 30 CEEEMP CC(C)[N@@H+](C)CCCC[NH2+]Cc1ccnc(C#N)c1 ZINC000068754686 519617891 /nfs/dbraw/zinc/61/78/91/519617891.db2.gz SZOHVSKEKOEBDN-UHFFFAOYSA-N 2 1 260.385 2.163 10 30 CEEEMP CC(C)[N@@H+](C)CCCC[NH2+]Cc1cccnc1C#N ZINC000061658693 519617508 /nfs/dbraw/zinc/61/75/08/519617508.db2.gz SESFWHLWSLYSBK-UHFFFAOYSA-N 2 1 260.385 2.163 10 30 CEEEMP CC[C@@H]1CCC[N@H+]1Cc1cc(C#CC[NH3+])ccc1OC ZINC000049608264 523269044 /nfs/dbraw/zinc/26/90/44/523269044.db2.gz HSIJCLXYFGSUAI-MRXNPFEDSA-N 2 1 272.392 2.380 10 30 CEEEMP C[N@@H+](Cc1cccnc1)Cc1cccc(C#CC[NH3+])c1 ZINC000049609286 523418250 /nfs/dbraw/zinc/41/82/50/523418250.db2.gz QACFAPNFHICOSE-UHFFFAOYSA-N 2 1 265.360 2.024 10 30 CEEEMP C[C@@H]1CCC[N@@H+](CCOc2ccc(C#CC[NH3+])cc2)[C@@H]1C ZINC000050566675 524230708 /nfs/dbraw/zinc/23/07/08/524230708.db2.gz ZWPOFCHMSXYKTH-HZPDHXFCSA-N 2 1 286.419 2.496 10 30 CEEEMP CCC1(CC)CCN(C(NC[C@@H]2CCC[N@H+]2C)=[NH+]C)C1 ZINC000261937259 629346328 /nfs/dbraw/zinc/34/63/28/629346328.db2.gz CRSJDGRAHWEKFS-AWEZNQCLSA-N 2 1 280.460 2.168 10 30 CEEEMP C=CC[C@H]1CCCC[C@H]1[NH2+]C1CC[NH+](CCO)CC1 ZINC000657943148 415136822 /nfs/dbraw/zinc/13/68/22/415136822.db2.gz JIQDMNGVEUMTPF-GOEBONIOSA-N 2 1 266.429 2.168 10 30 CEEEMP CC(C)N[C@](C)(C#N)CCC[N@H+](C)C1CC[NH+](C)CC1 ZINC000045307881 175356311 /nfs/dbraw/zinc/35/63/11/175356311.db2.gz KCWHHNUPDIKLEF-INIZCTEOSA-N 2 1 280.460 2.073 10 30 CEEEMP CC(C)N[C@](C)(C#N)CCC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000045307881 175356313 /nfs/dbraw/zinc/35/63/13/175356313.db2.gz KCWHHNUPDIKLEF-INIZCTEOSA-N 2 1 280.460 2.073 10 30 CEEEMP C[C@H]1CCCC[N@H+]1CCOc1cccc(C#CC[NH3+])c1 ZINC000049608398 526250417 /nfs/dbraw/zinc/25/04/17/526250417.db2.gz TYAQFLFSIRMCSX-HNNXBMFYSA-N 2 1 272.392 2.250 10 30 CEEEMP