smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=C(C)CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001271311664 805911478 /nfs/dbraw/zinc/91/14/78/805911478.db2.gz QBTPMGAOQGTJQP-HOTGVXAUSA-N 2 1 295.471 2.025 20 30 CEEDMP C=CCCC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001272938855 808959761 /nfs/dbraw/zinc/95/97/61/808959761.db2.gz XTFKHELVOSJNIY-HZPDHXFCSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCC[C@@H](C)[NH2+]C1CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001203203154 802825320 /nfs/dbraw/zinc/82/53/20/802825320.db2.gz HKUYULCXARWZFB-OAHLLOKOSA-N 2 1 295.471 2.264 20 30 CEEDMP C=CCC[N@@H+]1CC[C@@](C)(NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001046449487 811754875 /nfs/dbraw/zinc/75/48/75/811754875.db2.gz FXAQWHJODIRIAR-QGZVFWFLSA-N 2 1 298.390 2.105 20 30 CEEDMP N#Cc1c[nH]c2cc(NC(=[NH2+])SCC[NH3+])ccc12 ZINC001167912983 803227218 /nfs/dbraw/zinc/22/72/18/803227218.db2.gz UOZNMVSVCCYNND-UHFFFAOYSA-N 2 1 259.338 2.078 20 30 CEEDMP C=CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001028181243 804519172 /nfs/dbraw/zinc/51/91/72/804519172.db2.gz PHKPAMVCTAJANH-JKSUJKDBSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001028181243 804519175 /nfs/dbraw/zinc/51/91/75/804519175.db2.gz PHKPAMVCTAJANH-JKSUJKDBSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001028181243 804519180 /nfs/dbraw/zinc/51/91/80/804519180.db2.gz PHKPAMVCTAJANH-JKSUJKDBSA-N 2 1 293.455 2.016 20 30 CEEDMP C=C(C)C[N@@H+](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001268749073 804959718 /nfs/dbraw/zinc/95/97/18/804959718.db2.gz QNBBANIBZZXDJU-AWEZNQCLSA-N 2 1 292.427 2.019 20 30 CEEDMP C=C(C)C[N@H+](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001268749073 804959721 /nfs/dbraw/zinc/95/97/21/804959721.db2.gz QNBBANIBZZXDJU-AWEZNQCLSA-N 2 1 292.427 2.019 20 30 CEEDMP C=CCC[NH2+]CC[C@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001269799043 805255526 /nfs/dbraw/zinc/25/55/26/805255526.db2.gz QESKLURWMFIMCH-MRXNPFEDSA-N 2 1 295.471 2.121 20 30 CEEDMP C#Cc1cccc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC001231660564 807183264 /nfs/dbraw/zinc/18/32/64/807183264.db2.gz IETHYHFHXNUNBC-QGZVFWFLSA-N 2 1 254.377 2.196 20 30 CEEDMP C#Cc1cccc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC001231660564 807183268 /nfs/dbraw/zinc/18/32/68/807183268.db2.gz IETHYHFHXNUNBC-QGZVFWFLSA-N 2 1 254.377 2.196 20 30 CEEDMP C#Cc1cccc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC001231660564 807183272 /nfs/dbraw/zinc/18/32/72/807183272.db2.gz IETHYHFHXNUNBC-QGZVFWFLSA-N 2 1 254.377 2.196 20 30 CEEDMP C#Cc1cccc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC001231660564 807183276 /nfs/dbraw/zinc/18/32/76/807183276.db2.gz IETHYHFHXNUNBC-QGZVFWFLSA-N 2 1 254.377 2.196 20 30 CEEDMP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)[C@H]1C ZINC001088897537 807266647 /nfs/dbraw/zinc/26/66/47/807266647.db2.gz NAYIQSKLCCBXHI-PMPSAXMXSA-N 2 1 293.455 2.014 20 30 CEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)[C@H]1C ZINC001088897537 807266648 /nfs/dbraw/zinc/26/66/48/807266648.db2.gz NAYIQSKLCCBXHI-PMPSAXMXSA-N 2 1 293.455 2.014 20 30 CEEDMP C[N@@H+]1CCCC[C@H](C[NH2+]CC#Cc2ccccc2)C1 ZINC000700803088 809355911 /nfs/dbraw/zinc/35/59/11/809355911.db2.gz MZNCETNINIQSPL-QGZVFWFLSA-N 2 1 256.393 2.360 20 30 CEEDMP C[N@H+]1CCCC[C@H](CNCC#Cc2ccccc2)C1 ZINC000700803088 809355903 /nfs/dbraw/zinc/35/59/03/809355903.db2.gz MZNCETNINIQSPL-QGZVFWFLSA-N 2 1 256.393 2.360 20 30 CEEDMP C[N@H+]1CCCC[C@H](C[NH2+]CC#Cc2ccccc2)C1 ZINC000700803088 809355919 /nfs/dbraw/zinc/35/59/19/809355919.db2.gz MZNCETNINIQSPL-QGZVFWFLSA-N 2 1 256.393 2.360 20 30 CEEDMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC(S)CC1)C2 ZINC001172124581 815285313 /nfs/dbraw/zinc/28/53/13/815285313.db2.gz LPMUYARCMWGFPW-ITGUQSILSA-N 2 1 254.443 2.396 20 30 CEEDMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC(S)CC1)C2 ZINC001172124581 815285317 /nfs/dbraw/zinc/28/53/17/815285317.db2.gz LPMUYARCMWGFPW-ITGUQSILSA-N 2 1 254.443 2.396 20 30 CEEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001015499832 810298197 /nfs/dbraw/zinc/29/81/97/810298197.db2.gz QYULJVBUWXZFIC-OAHLLOKOSA-N 2 1 293.455 2.018 20 30 CEEDMP C#Cc1cccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)c1 ZINC001206014727 811603426 /nfs/dbraw/zinc/60/34/26/811603426.db2.gz XYKOIRWGTLNBBR-YOEHRIQHSA-N 2 1 256.393 2.475 20 30 CEEDMP C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001130710859 812600368 /nfs/dbraw/zinc/60/03/68/812600368.db2.gz HDXNBLCKYVDDSF-HZPDHXFCSA-N 2 1 295.471 2.167 20 30 CEEDMP C=C(C)C[N@@H+]1C[C@H](NC(=O)CCCC[NH+](C)C)CC[C@H]1C ZINC001132433037 812847074 /nfs/dbraw/zinc/84/70/74/812847074.db2.gz JRDYKJAQRQPJFH-HZPDHXFCSA-N 2 1 295.471 2.264 20 30 CEEDMP C=C(C)C[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001052499516 813001338 /nfs/dbraw/zinc/00/13/38/813001338.db2.gz WRFVHQYBQCJCGZ-JKSUJKDBSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001052499516 813001345 /nfs/dbraw/zinc/00/13/45/813001345.db2.gz WRFVHQYBQCJCGZ-JKSUJKDBSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001052499516 813001353 /nfs/dbraw/zinc/00/13/53/813001353.db2.gz WRFVHQYBQCJCGZ-JKSUJKDBSA-N 2 1 293.455 2.018 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+]Cc1cnc2ccccc2c1 ZINC000392946947 813309622 /nfs/dbraw/zinc/30/96/22/813309622.db2.gz UUOINLYSKUUGQB-UHFFFAOYSA-N 2 1 267.376 2.280 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1cnc2ccccc2c1 ZINC000392946947 813309628 /nfs/dbraw/zinc/30/96/28/813309628.db2.gz UUOINLYSKUUGQB-UHFFFAOYSA-N 2 1 267.376 2.280 20 30 CEEDMP C=CC[NH2+]CCCC[C@@H](C)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001171316823 814507315 /nfs/dbraw/zinc/50/73/15/814507315.db2.gz BFECVWUDKXOTPM-HZPDHXFCSA-N 2 1 295.471 2.311 20 30 CEEDMP C=CCOC1CCC([NH2+]C[C@H]2CC[N@H+](C)C2)CC1 ZINC001173311609 815663614 /nfs/dbraw/zinc/66/36/14/815663614.db2.gz MOTQOQWEZMZEMN-WLYUNCDWSA-N 2 1 252.402 2.042 20 30 CEEDMP C=CCOC1CCC([NH2+]C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001173311607 815664114 /nfs/dbraw/zinc/66/41/14/815664114.db2.gz MOTQOQWEZMZEMN-NFOMZHRRSA-N 2 1 252.402 2.042 20 30 CEEDMP C[NH+]1CC[C@]2(CC[N@@H+](C3CCC(CC#N)CC3)C2)C1 ZINC001173336542 815681163 /nfs/dbraw/zinc/68/11/63/815681163.db2.gz CZKCOOBUQVLWQM-GPANFISMSA-N 2 1 261.413 2.486 20 30 CEEDMP C[NH+]1CC[C@]2(CC[N@H+](C3CCC(CC#N)CC3)C2)C1 ZINC001173336542 815681168 /nfs/dbraw/zinc/68/11/68/815681168.db2.gz CZKCOOBUQVLWQM-GPANFISMSA-N 2 1 261.413 2.486 20 30 CEEDMP N#CCC1CCC([N@H+]2CCc3[nH+]ccn3CC2)CC1 ZINC001173337467 815681804 /nfs/dbraw/zinc/68/18/04/815681804.db2.gz LFPGSFIDHDMHMR-UHFFFAOYSA-N 2 1 258.369 2.214 20 30 CEEDMP N#CCC1CCC([N@@H+]2CCc3[nH+]ccn3CC2)CC1 ZINC001173337467 815681809 /nfs/dbraw/zinc/68/18/09/815681809.db2.gz LFPGSFIDHDMHMR-UHFFFAOYSA-N 2 1 258.369 2.214 20 30 CEEDMP C#CCOc1ccc(C[NH+]2C[C@H]3C[NH+](CCC)C[C@@H]3C2)cc1 ZINC001138560250 815829076 /nfs/dbraw/zinc/82/90/76/815829076.db2.gz NXMJNZUAJGAQQL-QZTJIDSGSA-N 2 1 298.430 2.472 20 30 CEEDMP C#CCOc1ccc(C[NH+]2C[C@@H]3C[NH+](CC)C[C@H]3C2)cc1 ZINC001138560628 815829981 /nfs/dbraw/zinc/82/99/81/815829981.db2.gz DGFUXYFQTGKPCT-IRXDYDNUSA-N 2 1 284.403 2.082 20 30 CEEDMP C=CCCC[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001178045900 816663757 /nfs/dbraw/zinc/66/37/57/816663757.db2.gz ZBZUACXJPJUYRW-MRXNPFEDSA-N 2 1 295.471 2.313 20 30 CEEDMP N#Cc1ccc(CC[N@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000601334985 346823564 /nfs/dbraw/zinc/82/35/64/346823564.db2.gz PSKCJFDHDYVXOE-IRXDYDNUSA-N 2 1 269.392 2.175 20 30 CEEDMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000353384155 282209508 /nfs/dbraw/zinc/20/95/08/282209508.db2.gz KKYCVZHGCNMZAT-MRXNPFEDSA-N 2 1 266.348 2.340 20 30 CEEDMP CNC(NCc1ccccc1C[N@H+]1CCCC[C@@H]1C)=[NH+]C ZINC000057887132 343640581 /nfs/dbraw/zinc/64/05/81/343640581.db2.gz BHPGLACVMYHKDE-AWEZNQCLSA-N 2 1 288.439 2.356 20 30 CEEDMP N#Cc1ccc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000161286256 344463775 /nfs/dbraw/zinc/46/37/75/344463775.db2.gz NPRZHSYDTJNMNW-UHFFFAOYSA-N 2 1 278.359 2.275 20 30 CEEDMP CC[C@@H]1C[N@H+](Cc2ccc(C#N)c(OC)c2)CC[C@H]1[NH3+] ZINC000300203552 344698866 /nfs/dbraw/zinc/69/88/66/344698866.db2.gz IEQNZTXKQCSHEQ-UKRRQHHQSA-N 2 1 273.380 2.126 20 30 CEEDMP CC[C@@H]1C[N@@H+](Cc2ccc(C#N)c(OC)c2)CC[C@H]1[NH3+] ZINC000300203552 344698867 /nfs/dbraw/zinc/69/88/67/344698867.db2.gz IEQNZTXKQCSHEQ-UKRRQHHQSA-N 2 1 273.380 2.126 20 30 CEEDMP C=C(C)C[NH+]1CCC(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000166523907 539476944 /nfs/dbraw/zinc/47/69/44/539476944.db2.gz RHZMTVQGTUDUQU-IAGOWNOFSA-N 2 1 277.456 2.243 20 30 CEEDMP C=C(C)CN1CCC([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000166523907 539476948 /nfs/dbraw/zinc/47/69/48/539476948.db2.gz RHZMTVQGTUDUQU-IAGOWNOFSA-N 2 1 277.456 2.243 20 30 CEEDMP C=C(C)CN1CCC([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000166523907 539476954 /nfs/dbraw/zinc/47/69/54/539476954.db2.gz RHZMTVQGTUDUQU-IAGOWNOFSA-N 2 1 277.456 2.243 20 30 CEEDMP CC(C)(CCC#N)C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000594524092 345643970 /nfs/dbraw/zinc/64/39/70/345643970.db2.gz ODBZWERMDWAJLH-OAHLLOKOSA-N 2 1 279.428 2.159 20 30 CEEDMP CC(C)[C@H]([NH3+])CC[N@@H+](C)CCc1ccc(C#N)cc1 ZINC000595890294 345907907 /nfs/dbraw/zinc/90/79/07/345907907.db2.gz FRGWZVJMJPQKAZ-MRXNPFEDSA-N 2 1 259.397 2.406 20 30 CEEDMP N#Cc1ccc(CC[N@@H+]2CCCC[C@H]2CC[NH3+])cc1 ZINC000595895416 345908774 /nfs/dbraw/zinc/90/87/74/345908774.db2.gz LYQDVEVNCMMOQW-INIZCTEOSA-N 2 1 257.381 2.304 20 30 CEEDMP Cc1nsc(N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1C#N ZINC000596360209 346007269 /nfs/dbraw/zinc/00/72/69/346007269.db2.gz IQPZFTMGHMXGAX-NSHDSACASA-N 2 1 295.456 2.007 20 30 CEEDMP Cc1nsc(N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1C#N ZINC000596360209 346007270 /nfs/dbraw/zinc/00/72/70/346007270.db2.gz IQPZFTMGHMXGAX-NSHDSACASA-N 2 1 295.456 2.007 20 30 CEEDMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC000598994835 346443248 /nfs/dbraw/zinc/44/32/48/346443248.db2.gz UAFYNPOBAKRRIM-MRXNPFEDSA-N 2 1 257.381 2.380 20 30 CEEDMP C[N@@H+]1CCC[C@@H]2C[NH+](CCOc3ccccc3C#N)CC[C@@H]21 ZINC000129108023 365825029 /nfs/dbraw/zinc/82/50/29/365825029.db2.gz IENDDQIQQNWPAL-SJORKVTESA-N 2 1 299.418 2.353 20 30 CEEDMP C[N@H+]1CCC[C@@H]2C[NH+](CCOc3ccccc3C#N)CC[C@@H]21 ZINC000129108023 365825030 /nfs/dbraw/zinc/82/50/30/365825030.db2.gz IENDDQIQQNWPAL-SJORKVTESA-N 2 1 299.418 2.353 20 30 CEEDMP C[NH+]1CCC[C@@H]2C[N@H+](CCOc3ccccc3C#N)CC[C@@H]21 ZINC000129108023 365825031 /nfs/dbraw/zinc/82/50/31/365825031.db2.gz IENDDQIQQNWPAL-SJORKVTESA-N 2 1 299.418 2.353 20 30 CEEDMP C[NH+]1CCC[C@@H]2C[N@@H+](CCOc3ccccc3C#N)CC[C@@H]21 ZINC000129108023 365825032 /nfs/dbraw/zinc/82/50/32/365825032.db2.gz IENDDQIQQNWPAL-SJORKVTESA-N 2 1 299.418 2.353 20 30 CEEDMP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3nc(C#N)cs3)C2)CC1 ZINC000356315559 370656136 /nfs/dbraw/zinc/65/61/36/370656136.db2.gz IGHNTMXWNNFMTK-CYBMUJFWSA-N 2 1 290.436 2.178 20 30 CEEDMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3nc(C#N)cs3)C2)CC1 ZINC000356315559 370656143 /nfs/dbraw/zinc/65/61/43/370656143.db2.gz IGHNTMXWNNFMTK-CYBMUJFWSA-N 2 1 290.436 2.178 20 30 CEEDMP C[C@H](CCC#N)C[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000602657900 347127667 /nfs/dbraw/zinc/12/76/67/347127667.db2.gz TZPUHUYHRVYZCC-WBVHZDCISA-N 2 1 292.471 2.027 20 30 CEEDMP N#Cc1cc(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)ccn1 ZINC000602845878 347222881 /nfs/dbraw/zinc/22/28/81/347222881.db2.gz MNBRVVKRWGXUJV-UHFFFAOYSA-N 2 1 293.374 2.061 20 30 CEEDMP CC[C@@H](CC#N)[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000613044446 347966685 /nfs/dbraw/zinc/96/66/85/347966685.db2.gz KJOZMKZNTPGFLM-HNNXBMFYSA-N 2 1 275.396 2.409 20 30 CEEDMP C[NH+]1CCC([NH2+][C@H]2CCc3cc(C#N)ccc32)CC1 ZINC000618807803 349044929 /nfs/dbraw/zinc/04/49/29/349044929.db2.gz XCTNFQGWOGVQSM-INIZCTEOSA-N 2 1 255.365 2.229 20 30 CEEDMP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(C(C)(C)C#N)cc3)C[C@@H]2C1 ZINC000618765116 349038947 /nfs/dbraw/zinc/03/89/47/349038947.db2.gz HZHVRQJIDMVJMD-IYBDPMFKSA-N 2 1 283.419 2.481 20 30 CEEDMP N#Cc1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000106868423 186144423 /nfs/dbraw/zinc/14/44/23/186144423.db2.gz NUAWJCZZEBBIRM-HZPDHXFCSA-N 2 1 255.365 2.275 20 30 CEEDMP N#Cc1cccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000106868423 186144424 /nfs/dbraw/zinc/14/44/24/186144424.db2.gz NUAWJCZZEBBIRM-HZPDHXFCSA-N 2 1 255.365 2.275 20 30 CEEDMP C[NH+](C)Cc1cccc(C[NH2+]C[C@H](C#N)CCC#N)c1 ZINC000578640141 366526202 /nfs/dbraw/zinc/52/62/02/366526202.db2.gz OMHHAGSYELKDRJ-INIZCTEOSA-N 2 1 270.380 2.281 20 30 CEEDMP Cn1cc(C[NH2+]CCC[NH+](C)C)c(-c2ccc(C#N)cc2)n1 ZINC000180028333 189233112 /nfs/dbraw/zinc/23/31/12/189233112.db2.gz JKUZPGPNIABOTP-UHFFFAOYSA-N 2 1 297.406 2.000 20 30 CEEDMP C[N@H+](CC[C@@H]1CCC[NH+]1C)Cc1cccc(C#N)c1 ZINC000089424409 363964918 /nfs/dbraw/zinc/96/49/18/363964918.db2.gz ZXUSNCKITMVJPX-INIZCTEOSA-N 2 1 257.381 2.474 20 30 CEEDMP C[N@@H+](CC[C@@H]1CCC[NH+]1C)Cc1cccc(C#N)c1 ZINC000089424409 363964921 /nfs/dbraw/zinc/96/49/21/363964921.db2.gz ZXUSNCKITMVJPX-INIZCTEOSA-N 2 1 257.381 2.474 20 30 CEEDMP C[NH+](CC[C@@H]1CCC[N@@H+]1C)Cc1cccc(C#N)c1 ZINC000089424409 363964926 /nfs/dbraw/zinc/96/49/26/363964926.db2.gz ZXUSNCKITMVJPX-INIZCTEOSA-N 2 1 257.381 2.474 20 30 CEEDMP C[NH+](CC[C@@H]1CCC[N@H+]1C)Cc1cccc(C#N)c1 ZINC000089424409 363964929 /nfs/dbraw/zinc/96/49/29/363964929.db2.gz ZXUSNCKITMVJPX-INIZCTEOSA-N 2 1 257.381 2.474 20 30 CEEDMP C=C(C)[C@H](CO)[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000680401191 541408665 /nfs/dbraw/zinc/40/86/65/541408665.db2.gz IHDBEYHRQBBLCP-LZWOXQAQSA-N 2 1 266.429 2.166 20 30 CEEDMP CC(C)C[NH+]1CCC([NH2+]Cc2cc(C#N)n(C)c2)CC1 ZINC000190743253 369649625 /nfs/dbraw/zinc/64/96/25/369649625.db2.gz UACBXXPVKNPYNL-UHFFFAOYSA-N 2 1 274.412 2.107 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H]2CCC=CO2)CC1 ZINC000194384027 370033897 /nfs/dbraw/zinc/03/38/97/370033897.db2.gz YPDBQUJDYDSNQW-OAHLLOKOSA-N 2 1 250.386 2.309 20 30 CEEDMP C=CC[NH+]1CCC([NH2+]C[C@H](CC(C)C)OC)CC1 ZINC000638525264 370591347 /nfs/dbraw/zinc/59/13/47/370591347.db2.gz WLBGWGGPXDVYLG-HNNXBMFYSA-N 2 1 254.418 2.288 20 30 CEEDMP N#Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000252858251 371484536 /nfs/dbraw/zinc/48/45/36/371484536.db2.gz LUWODUSFCORUMP-HRCADAONSA-N 2 1 255.365 2.117 20 30 CEEDMP C=CCN1CC[C@](O)(C[N@@H+](CC=C)Cc2ccccc2)C1 ZINC000639963204 371700213 /nfs/dbraw/zinc/70/02/13/371700213.db2.gz VBPHLFKEFMGTML-GOSISDBHSA-N 2 1 286.419 2.297 20 30 CEEDMP C=CCN(Cc1ccccc1)C[C@@]1(O)CC[N@H+](CC=C)C1 ZINC000639963204 371700220 /nfs/dbraw/zinc/70/02/20/371700220.db2.gz VBPHLFKEFMGTML-GOSISDBHSA-N 2 1 286.419 2.297 20 30 CEEDMP C=CCOc1ccc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000261683999 371701375 /nfs/dbraw/zinc/70/13/75/371701375.db2.gz AMXIVJCKQVGHAY-QGZVFWFLSA-N 2 1 272.392 2.437 20 30 CEEDMP C=CCOc1ccc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000261683999 371701378 /nfs/dbraw/zinc/70/13/78/371701378.db2.gz AMXIVJCKQVGHAY-QGZVFWFLSA-N 2 1 272.392 2.437 20 30 CEEDMP COc1ccc(NC(=[NH2+])NCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000264105569 371971122 /nfs/dbraw/zinc/97/11/22/371971122.db2.gz PKCFVIHUPIUFED-CYBMUJFWSA-N 2 1 290.411 2.296 20 30 CEEDMP C[N@H+]1CC[C@]2(CCN(Cc3cccc(C#N)c3F)C2)C1 ZINC000312681901 376723766 /nfs/dbraw/zinc/72/37/66/376723766.db2.gz LCQMYWNXDAZXAK-INIZCTEOSA-N 2 1 273.355 2.225 20 30 CEEDMP COc1cc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)ccc1C#N ZINC000290401935 376762115 /nfs/dbraw/zinc/76/21/15/376762115.db2.gz JLPSWNLZVOVZRW-DLBZAZTESA-N 2 1 299.418 2.483 20 30 CEEDMP COc1cc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)ccc1C#N ZINC000290401935 376762125 /nfs/dbraw/zinc/76/21/25/376762125.db2.gz JLPSWNLZVOVZRW-DLBZAZTESA-N 2 1 299.418 2.483 20 30 CEEDMP COc1cc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)ccc1C#N ZINC000290401935 376762135 /nfs/dbraw/zinc/76/21/35/376762135.db2.gz JLPSWNLZVOVZRW-DLBZAZTESA-N 2 1 299.418 2.483 20 30 CEEDMP COc1cc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)ccc1C#N ZINC000290401935 376762140 /nfs/dbraw/zinc/76/21/40/376762140.db2.gz JLPSWNLZVOVZRW-DLBZAZTESA-N 2 1 299.418 2.483 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCc2c1cccc2F ZINC000294978141 378032847 /nfs/dbraw/zinc/03/28/47/378032847.db2.gz KKCQHUOGQUSHEY-INIZCTEOSA-N 2 1 260.356 2.358 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCc2c1cccc2F ZINC000294978141 378032851 /nfs/dbraw/zinc/03/28/51/378032851.db2.gz KKCQHUOGQUSHEY-INIZCTEOSA-N 2 1 260.356 2.358 20 30 CEEDMP C[N@H+](CCC[NH+]1CCCC1)CCOc1ccc(C#N)cc1 ZINC000281222241 195155738 /nfs/dbraw/zinc/15/57/38/195155738.db2.gz DWMHLVAJOMAXFR-UHFFFAOYSA-N 2 1 287.407 2.355 20 30 CEEDMP C[N@@H+](CCC[NH+]1CCCC1)CCOc1ccc(C#N)cc1 ZINC000281222241 195155740 /nfs/dbraw/zinc/15/57/40/195155740.db2.gz DWMHLVAJOMAXFR-UHFFFAOYSA-N 2 1 287.407 2.355 20 30 CEEDMP CNC(=[NH2+])NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000270612168 394736655 /nfs/dbraw/zinc/73/66/55/394736655.db2.gz YKANMXOJYJHNHV-GXFFZTMASA-N 2 1 298.793 2.006 20 30 CEEDMP CC(C)C[N@H+]1CC[C@H](CNC(=[NH2+])Nc2ccccc2)C1 ZINC000268070939 394688903 /nfs/dbraw/zinc/68/89/03/394688903.db2.gz JXWXTHDDAWAKHV-CQSZACIVSA-N 2 1 274.412 2.391 20 30 CEEDMP CCN(CC)C(=[NH2+])NCc1cccc(C[N@@H+](C)CC)c1 ZINC000104178405 394718600 /nfs/dbraw/zinc/71/86/00/394718600.db2.gz ZHZPGGBTZYTHLV-UHFFFAOYSA-N 2 1 276.428 2.295 20 30 CEEDMP COc1cc(C[NH2+][C@H]2CC[NH2+]CC2(C)C)ccc1C#N ZINC000414966173 394829302 /nfs/dbraw/zinc/82/93/02/394829302.db2.gz GGPTZWVIDFPVTH-HNNXBMFYSA-N 2 1 273.380 2.045 20 30 CEEDMP N#C[C@@H]1CC[C@@H]([N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)C1 ZINC000339005822 394936594 /nfs/dbraw/zinc/93/65/94/394936594.db2.gz BWQFTFQEENCWSS-BZUAXINKSA-N 2 1 261.413 2.486 20 30 CEEDMP C[C@H]([NH2+]CCOCCC#N)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000339086200 394942050 /nfs/dbraw/zinc/94/20/50/394942050.db2.gz ZPOKLZJOTUIPIC-LSDHHAIUSA-N 2 1 279.428 2.159 20 30 CEEDMP C=C(C)C[NH+]1CCC(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000152941112 394999886 /nfs/dbraw/zinc/99/98/86/394999886.db2.gz QVZFJJFBOKZKIL-GDBMZVCRSA-N 3 1 265.445 2.099 20 30 CEEDMP C#CC[N@@H+](CCn1cc[nH+]c1C)Cc1ccccc1 ZINC000285607937 394961278 /nfs/dbraw/zinc/96/12/78/394961278.db2.gz JPTGUDSYBSSKQD-UHFFFAOYSA-N 2 1 253.349 2.327 20 30 CEEDMP C#CC[N@H+](CCn1cc[nH+]c1C)Cc1ccccc1 ZINC000285607937 394961281 /nfs/dbraw/zinc/96/12/81/394961281.db2.gz JPTGUDSYBSSKQD-UHFFFAOYSA-N 2 1 253.349 2.327 20 30 CEEDMP C=C[C@H](CO)[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000289685886 395083911 /nfs/dbraw/zinc/08/39/11/395083911.db2.gz HZISHMBYTZWCAM-BHYGNILZSA-N 2 1 274.408 2.034 20 30 CEEDMP C=CCCC[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000372353664 395040581 /nfs/dbraw/zinc/04/05/81/395040581.db2.gz HCNGMSXTRWYGON-HRCADAONSA-N 2 1 266.429 2.432 20 30 CEEDMP C#Cc1ccc(CN2CC[C@H]3CC[N@H+](C)C[C@H]32)cc1 ZINC000290487854 395105290 /nfs/dbraw/zinc/10/52/90/395105290.db2.gz VTPQMEYPNFPTND-IAGOWNOFSA-N 2 1 254.377 2.194 20 30 CEEDMP C#Cc1ccc(C[N@H+]2CC[C@H]3CCN(C)C[C@H]32)cc1 ZINC000290487854 395105294 /nfs/dbraw/zinc/10/52/94/395105294.db2.gz VTPQMEYPNFPTND-IAGOWNOFSA-N 2 1 254.377 2.194 20 30 CEEDMP C#Cc1ccc(C[N@@H+]2CC[C@H]3CCN(C)C[C@H]32)cc1 ZINC000290487854 395105295 /nfs/dbraw/zinc/10/52/95/395105295.db2.gz VTPQMEYPNFPTND-IAGOWNOFSA-N 2 1 254.377 2.194 20 30 CEEDMP Cc1[nH+]ccn1CCN1Cc2cccc(C#N)c2C1 ZINC000405079128 395288059 /nfs/dbraw/zinc/28/80/59/395288059.db2.gz JWWOZFJZXCINPA-UHFFFAOYSA-N 2 1 252.321 2.079 20 30 CEEDMP C[C@@H]([NH2+]Cc1ccc(CC#N)cc1)c1c[nH+]ccc1N ZINC000567895630 395540122 /nfs/dbraw/zinc/54/01/22/395540122.db2.gz SGBCLSIKINJBBY-GFCCVEGCSA-N 2 1 266.348 2.411 20 30 CEEDMP C=CC[N@@H+](CC1CCCCC1)C[C@@](C)(O)C[NH2+]C ZINC000572049331 395585342 /nfs/dbraw/zinc/58/53/42/395585342.db2.gz SBZLZHKUHUIOQR-HNNXBMFYSA-N 2 1 254.418 2.025 20 30 CEEDMP CN(Cc1ccc(C#N)cn1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000574336235 395628246 /nfs/dbraw/zinc/62/82/46/395628246.db2.gz AXQIHRTYDRPMOL-XYPWUTKMSA-N 2 1 270.380 2.010 20 30 CEEDMP C=CCCC[N@@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652347521 401490584 /nfs/dbraw/zinc/49/05/84/401490584.db2.gz CXUSBRPFEYSVTF-KKUMJFAQSA-N 2 1 252.402 2.171 20 30 CEEDMP C[NH+]1CCC2(CCC[N@@H+](Cc3ccc(C#N)o3)C2)CC1 ZINC000366956656 156109161 /nfs/dbraw/zinc/10/91/61/156109161.db2.gz VMIZKYGQYZMMJY-UHFFFAOYSA-N 2 1 273.380 2.459 20 30 CEEDMP C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000661116522 415101702 /nfs/dbraw/zinc/10/17/02/415101702.db2.gz YRMLAGKTZSNYTN-VNQPRFMTSA-N 2 1 266.429 2.166 20 30 CEEDMP C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000661116522 415101708 /nfs/dbraw/zinc/10/17/08/415101708.db2.gz YRMLAGKTZSNYTN-VNQPRFMTSA-N 2 1 266.429 2.166 20 30 CEEDMP C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)C[N@H+](C)CC ZINC000661114800 415101854 /nfs/dbraw/zinc/10/18/54/415101854.db2.gz MONALUYMTXKCHU-ILXRZTDVSA-N 2 1 254.418 2.024 20 30 CEEDMP C=C1CCN(Cc2ccnn2-c2ccncc2)CC1 ZINC000667601656 419728548 /nfs/dbraw/zinc/72/85/48/419728548.db2.gz IOOPKVBDMFTJPE-UHFFFAOYSA-N 2 1 254.337 2.419 20 30 CEEDMP Cc1[nH+]ccn1CCCNC(=[NH2+])Nc1cc(F)ccc1F ZINC000288771267 263106055 /nfs/dbraw/zinc/10/60/55/263106055.db2.gz UWEBCINUQUPYAE-UHFFFAOYSA-N 2 1 293.321 2.287 20 30 CEEDMP N#C[C@@H]1CCC[C@@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)C1 ZINC000361458229 266825992 /nfs/dbraw/zinc/82/59/92/266825992.db2.gz FKOCUEQMQGITCF-HZPDHXFCSA-N 2 1 291.439 2.303 20 30 CEEDMP C[C@@H]([NH2+]CCc1cccc(C#N)c1)[C@H]1CCCC[NH2+]1 ZINC000423097599 270834961 /nfs/dbraw/zinc/83/49/61/270834961.db2.gz JMHSBDWKSMXGGM-CZUORRHYSA-N 2 1 257.381 2.221 20 30 CEEDMP C=C(C)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000339660484 328012571 /nfs/dbraw/zinc/01/25/71/328012571.db2.gz HAIDNERCVZRRDK-YIONKMFJSA-N 2 1 252.402 2.136 20 30 CEEDMP C=C(C)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2CCOC ZINC000339660484 328012572 /nfs/dbraw/zinc/01/25/72/328012572.db2.gz HAIDNERCVZRRDK-YIONKMFJSA-N 2 1 252.402 2.136 20 30 CEEDMP C=C(C)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2CCOC ZINC000339660484 328012573 /nfs/dbraw/zinc/01/25/73/328012573.db2.gz HAIDNERCVZRRDK-YIONKMFJSA-N 2 1 252.402 2.136 20 30 CEEDMP CN(C(=[NH2+])NC[C@@H](c1cccs1)[NH+]1CCCC1)C1CC1 ZINC000262178910 328146698 /nfs/dbraw/zinc/14/66/98/328146698.db2.gz DLWDRDVGCMBOSE-ZDUSSCGKSA-N 2 1 292.452 2.294 20 30 CEEDMP C=CCOc1ccc(C[NH2+][C@@H](C[NH3+])C2CC2)cc1OC ZINC000414814186 328232566 /nfs/dbraw/zinc/23/25/66/328232566.db2.gz ZCBPEDNYFOQFOT-AWEZNQCLSA-N 2 1 276.380 2.087 20 30 CEEDMP [NH2+]=C(NCC1CCC1)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000262809870 330033327 /nfs/dbraw/zinc/03/33/27/330033327.db2.gz NYTIVFCKSFGIIL-MRXNPFEDSA-N 2 1 292.471 2.488 20 30 CEEDMP C=CCC(C)(C)C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000423129823 330171502 /nfs/dbraw/zinc/17/15/02/330171502.db2.gz FQGUFSYWKLLZII-RRFJBIMHSA-N 2 1 266.429 2.335 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)C1CCSCC1 ZINC000491073502 332147107 /nfs/dbraw/zinc/14/71/07/332147107.db2.gz ZYQJLJNRWNRCJC-CYBMUJFWSA-N 2 1 254.443 2.063 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)C1CCSCC1 ZINC000491073502 332147108 /nfs/dbraw/zinc/14/71/08/332147108.db2.gz ZYQJLJNRWNRCJC-CYBMUJFWSA-N 2 1 254.443 2.063 20 30 CEEDMP C=C(C)C[NH+]1CCC(N[C@H]2CC[N@H+](CC)C[C@@H]2C)CC1 ZINC000247950154 334292062 /nfs/dbraw/zinc/29/20/62/334292062.db2.gz DYZCVTCSYVRBNC-RDJZCZTQSA-N 2 1 279.472 2.347 20 30 CEEDMP C=C(C)CC[N@@H+]1CC[C@H](OCC[NH+](CC)CC)C1 ZINC000352013548 526447150 /nfs/dbraw/zinc/44/71/50/526447150.db2.gz JMSSRMMLNZBSPW-HNNXBMFYSA-N 2 1 254.418 2.385 20 30 CEEDMP C=CCOc1ccccc1C[N@@H+](C)C1CC[NH2+]CC1 ZINC000347022413 526929612 /nfs/dbraw/zinc/92/96/12/526929612.db2.gz OEOWXFCKKMBGRE-UHFFFAOYSA-N 2 1 260.381 2.435 20 30 CEEDMP C=CCOc1ccccc1C[N@H+](C)C1CC[NH2+]CC1 ZINC000347022413 526929614 /nfs/dbraw/zinc/92/96/14/526929614.db2.gz OEOWXFCKKMBGRE-UHFFFAOYSA-N 2 1 260.381 2.435 20 30 CEEDMP C=CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC000970453501 613864794 /nfs/dbraw/zinc/86/47/94/613864794.db2.gz RTMAMQQIZFIJFW-CVEARBPZSA-N 2 1 293.455 2.018 20 30 CEEDMP CCC[N@H+]1CC[C@H](CNC(=[NH+]C)N2CC[C@@](C)(CC)C2)C1 ZINC000261659133 623424490 /nfs/dbraw/zinc/42/44/90/623424490.db2.gz AVIXGEWJYFXBLP-NVXWUHKLSA-N 2 1 294.487 2.416 20 30 CEEDMP CC(C)Oc1ccc(NC(=[NH2+])NC[C@H]2CC[N@@H+](C)C2)cc1 ZINC000104172227 624320495 /nfs/dbraw/zinc/32/04/95/624320495.db2.gz GZFJRNMRCQQPGP-CYBMUJFWSA-N 2 1 290.411 2.152 20 30 CEEDMP C=CC[C@H]1CC[N@@H+]1C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000934460335 624510487 /nfs/dbraw/zinc/51/04/87/624510487.db2.gz PBBAHHLBDBSDRY-ROUUACIJSA-N 2 1 286.419 2.274 20 30 CEEDMP C=CC[C@H]1CC[N@H+]1C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000934460335 624510488 /nfs/dbraw/zinc/51/04/88/624510488.db2.gz PBBAHHLBDBSDRY-ROUUACIJSA-N 2 1 286.419 2.274 20 30 CEEDMP C=CC[C@H]1CC[N@@H+]1C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000934460335 624510492 /nfs/dbraw/zinc/51/04/92/624510492.db2.gz PBBAHHLBDBSDRY-ROUUACIJSA-N 2 1 286.419 2.274 20 30 CEEDMP C=CC[C@H]1CC[NH+]1C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000934460335 624510493 /nfs/dbraw/zinc/51/04/93/624510493.db2.gz PBBAHHLBDBSDRY-ROUUACIJSA-N 2 1 286.419 2.274 20 30 CEEDMP C=CC[C@H]1CC[NH+]1C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000934460335 624510496 /nfs/dbraw/zinc/51/04/96/624510496.db2.gz PBBAHHLBDBSDRY-ROUUACIJSA-N 2 1 286.419 2.274 20 30 CEEDMP C=CC[C@H](C)[C@H](C)[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000925796829 628841716 /nfs/dbraw/zinc/84/17/16/628841716.db2.gz SJRUNBWLYAJVDE-SOUVJXGZSA-N 2 1 266.429 2.335 20 30 CEEDMP C=CC[NH+]1CCC(N[C@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000924984897 629321769 /nfs/dbraw/zinc/32/17/69/629321769.db2.gz YMUGVQFJAUZKNO-DLBZAZTESA-N 2 1 277.456 2.243 20 30 CEEDMP C=CC[NH+]1CCC(N[C@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000924984897 629321771 /nfs/dbraw/zinc/32/17/71/629321771.db2.gz YMUGVQFJAUZKNO-DLBZAZTESA-N 2 1 277.456 2.243 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+]C[C@@H]1CCc2ccccc21 ZINC000894639678 629569331 /nfs/dbraw/zinc/56/93/31/629569331.db2.gz QZQAGNZGDZKBHG-INIZCTEOSA-N 2 1 256.393 2.261 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@@H]1CCc2ccccc21 ZINC000894639678 629569334 /nfs/dbraw/zinc/56/93/34/629569334.db2.gz QZQAGNZGDZKBHG-INIZCTEOSA-N 2 1 256.393 2.261 20 30 CEEDMP C[N@H+]1CCC[C@H](CC[NH2+]CC#Cc2ccccc2)C1 ZINC000894861550 629700740 /nfs/dbraw/zinc/70/07/40/629700740.db2.gz UWXAWQLDOACLMU-QGZVFWFLSA-N 2 1 256.393 2.360 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(N(C)C)cc1C ZINC000894863619 629701484 /nfs/dbraw/zinc/70/14/84/629701484.db2.gz NKSXMWGJARRWAF-UHFFFAOYSA-N 2 1 273.424 2.106 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(N(C)C)cc1C ZINC000894863619 629701485 /nfs/dbraw/zinc/70/14/85/629701485.db2.gz NKSXMWGJARRWAF-UHFFFAOYSA-N 2 1 273.424 2.106 20 30 CEEDMP C[N@@H+](CCc1cccc(C#N)c1)CC1CC[NH+](C)CC1 ZINC000895786430 630344771 /nfs/dbraw/zinc/34/47/71/630344771.db2.gz SFOJZINNDJRENG-UHFFFAOYSA-N 2 1 271.408 2.374 20 30 CEEDMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902755100 634810277 /nfs/dbraw/zinc/81/02/77/634810277.db2.gz KWEBAKDQTBLWAP-GFCCVEGCSA-N 2 1 269.352 2.199 20 30 CEEDMP C#CC[NH+](C)CCCN[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000815652566 633043548 /nfs/dbraw/zinc/04/35/48/633043548.db2.gz IGMHHWBWDXKQIL-HKUYNNGSSA-N 2 1 299.462 2.052 20 30 CEEDMP C#CC[NH+](C)CCCN[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000815652566 633043553 /nfs/dbraw/zinc/04/35/53/633043553.db2.gz IGMHHWBWDXKQIL-HKUYNNGSSA-N 2 1 299.462 2.052 20 30 CEEDMP C#CC[N@@H+](C)CCCN[C@H]1C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000815652566 633043562 /nfs/dbraw/zinc/04/35/62/633043562.db2.gz IGMHHWBWDXKQIL-HKUYNNGSSA-N 2 1 299.462 2.052 20 30 CEEDMP C#CC[N@H+](C)CCCN[C@H]1C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000815652566 633043566 /nfs/dbraw/zinc/04/35/66/633043566.db2.gz IGMHHWBWDXKQIL-HKUYNNGSSA-N 2 1 299.462 2.052 20 30 CEEDMP C=CCc1cc(C[NH2+][C@@H](C)C2C[NH2+]C2)cc(OC)c1OC ZINC000817909428 633767225 /nfs/dbraw/zinc/76/72/25/633767225.db2.gz QWNDYVPPRVWZES-LBPRGKRZSA-N 2 1 290.407 2.130 20 30 CEEDMP C[NH2+]C1CC[NH+](Cc2c(C)cc(C#N)cc2C)CC1 ZINC000903422619 635122884 /nfs/dbraw/zinc/12/28/84/635122884.db2.gz GOKGUZFLRPJFRU-UHFFFAOYSA-N 2 1 257.381 2.359 20 30 CEEDMP CCC[N@H+]1CC[C@@H](CNC(NC(C)(C)C)=[NH+]C2CC2)C1 ZINC000912507187 638712825 /nfs/dbraw/zinc/71/28/25/638712825.db2.gz XCBYVHQKHCEYIQ-ZDUSSCGKSA-N 2 1 280.460 2.214 20 30 CEEDMP C#CCCCCCC[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000877022180 650534717 /nfs/dbraw/zinc/53/47/17/650534717.db2.gz IRTFRIUFIPYKKK-HOTGVXAUSA-N 2 1 264.413 2.023 20 30 CEEDMP C#CCCCCCC[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000877022180 650534718 /nfs/dbraw/zinc/53/47/18/650534718.db2.gz IRTFRIUFIPYKKK-HOTGVXAUSA-N 2 1 264.413 2.023 20 30 CEEDMP C=CC[C@@H]1CC[C@H]([NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000845935142 641132804 /nfs/dbraw/zinc/13/28/04/641132804.db2.gz LDJDXCNBGMPPQQ-UGUYLWEFSA-N 2 1 264.413 2.184 20 30 CEEDMP C=CC[C@@H]1CC[C@H]([NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000845935142 641132808 /nfs/dbraw/zinc/13/28/08/641132808.db2.gz LDJDXCNBGMPPQQ-UGUYLWEFSA-N 2 1 264.413 2.184 20 30 CEEDMP C#CCCOc1ccc(C[NH2+]CCC[NH+]2CCC2)cc1 ZINC000848545761 642046501 /nfs/dbraw/zinc/04/65/01/642046501.db2.gz JQARQXYOGGAMCQ-UHFFFAOYSA-N 2 1 272.392 2.274 20 30 CEEDMP C#CCCOc1ccc(C[NH2+]C2CC(N(C)C)C2)cc1 ZINC000848557538 642052505 /nfs/dbraw/zinc/05/25/05/642052505.db2.gz KKIFUBOXALTZND-UHFFFAOYSA-N 2 1 272.392 2.271 20 30 CEEDMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2csc(C#N)c2)C1 ZINC000921625356 642286130 /nfs/dbraw/zinc/28/61/30/642286130.db2.gz SIASWHXKHNZROE-GFCCVEGCSA-N 2 1 263.410 2.441 20 30 CEEDMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2csc(C#N)c2)C1 ZINC000921625356 642286135 /nfs/dbraw/zinc/28/61/35/642286135.db2.gz SIASWHXKHNZROE-GFCCVEGCSA-N 2 1 263.410 2.441 20 30 CEEDMP C#CCOCC[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000851772648 643154747 /nfs/dbraw/zinc/15/47/47/643154747.db2.gz BWOYNGFQOOKSFV-IAGOWNOFSA-N 2 1 278.440 2.223 20 30 CEEDMP C#CCOCC[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000851772648 643154748 /nfs/dbraw/zinc/15/47/48/643154748.db2.gz BWOYNGFQOOKSFV-IAGOWNOFSA-N 2 1 278.440 2.223 20 30 CEEDMP C#CCOCC[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000851772648 643154754 /nfs/dbraw/zinc/15/47/54/643154754.db2.gz BWOYNGFQOOKSFV-IAGOWNOFSA-N 2 1 278.440 2.223 20 30 CEEDMP C#CCOCC[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000851772648 643154758 /nfs/dbraw/zinc/15/47/58/643154758.db2.gz BWOYNGFQOOKSFV-IAGOWNOFSA-N 2 1 278.440 2.223 20 30 CEEDMP C[C@H](C#N)OCC[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859212422 645422054 /nfs/dbraw/zinc/42/20/54/645422054.db2.gz JMPCIMXRWLARMV-CQSZACIVSA-N 2 1 275.396 2.109 20 30 CEEDMP C=C(C)[C@H](CO)[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859212991 645422076 /nfs/dbraw/zinc/42/20/76/645422076.db2.gz SECUJOYBZKEMQN-INIZCTEOSA-N 2 1 262.397 2.117 20 30 CEEDMP N#C[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000774184443 646815541 /nfs/dbraw/zinc/81/55/41/646815541.db2.gz CDDIOMOPPXGKKH-DJIMGWMZSA-N 2 1 291.439 2.302 20 30 CEEDMP C#CCCCCC[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000878324331 651067995 /nfs/dbraw/zinc/06/79/95/651067995.db2.gz LDFFICHYIFAENZ-ZWKOTPCHSA-N 2 1 291.483 2.138 20 30 CEEDMP C[NH+]1CCC2(CC[N@@H+](C[C@@H](O)c3ccc(C#N)cc3)C2)CC1 ZINC000878864657 651200497 /nfs/dbraw/zinc/20/04/97/651200497.db2.gz JULNZAMSXGSIJT-QGZVFWFLSA-N 2 1 299.418 2.009 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+]CC1=Cc2ccccc2OC1 ZINC000883131928 652373415 /nfs/dbraw/zinc/37/34/15/652373415.db2.gz ZHHOHJHWWWXURV-UHFFFAOYSA-N 2 1 270.376 2.007 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+]CC1=Cc2ccccc2OC1 ZINC000883131928 652373418 /nfs/dbraw/zinc/37/34/18/652373418.db2.gz ZHHOHJHWWWXURV-UHFFFAOYSA-N 2 1 270.376 2.007 20 30 CEEDMP C=CCC[C@@H]([NH2+]CC1([NH+](C)C)CCOCC1)[C@H]1CCCO1 ZINC000883190224 652394653 /nfs/dbraw/zinc/39/46/53/652394653.db2.gz XUJSWNSDBDCPPT-HZPDHXFCSA-N 2 1 296.455 2.201 20 30 CEEDMP C[NH+](C)C1CCC([N@H+]2CCC3SC(=O)C=C3C2)CC1 ZINC001168319770 806651220 /nfs/dbraw/zinc/65/12/20/806651220.db2.gz XXUCRLBLOWUYOW-JXQTWKCFSA-N 2 1 280.437 2.133 20 30 CEEDMP C=C(C)C[NH+]1CCCC[C@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001266845115 802936684 /nfs/dbraw/zinc/93/66/84/802936684.db2.gz UNUXCXNBOUFVIV-INIZCTEOSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001266845115 802936687 /nfs/dbraw/zinc/93/66/87/802936687.db2.gz UNUXCXNBOUFVIV-INIZCTEOSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001266845115 802936690 /nfs/dbraw/zinc/93/66/90/802936690.db2.gz UNUXCXNBOUFVIV-INIZCTEOSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)CC[N@H+](C)CCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001267225096 803252346 /nfs/dbraw/zinc/25/23/46/803252346.db2.gz OYSBXFWACDOMIJ-UHFFFAOYSA-N 2 1 295.471 2.121 20 30 CEEDMP C[C@@H]1CCCC[N@H+]1CCCNc1cc[nH+]c(CC#N)c1 ZINC001167754251 803841222 /nfs/dbraw/zinc/84/12/22/803841222.db2.gz PUQRYHNXWROHJG-CQSZACIVSA-N 2 1 272.396 2.246 20 30 CEEDMP C=C(C)C[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001027917575 804340468 /nfs/dbraw/zinc/34/04/68/804340468.db2.gz CDGGDGDDQMAPRJ-CVEARBPZSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001027917575 804340476 /nfs/dbraw/zinc/34/04/76/804340476.db2.gz CDGGDGDDQMAPRJ-CVEARBPZSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001027917575 804340482 /nfs/dbraw/zinc/34/04/82/804340482.db2.gz CDGGDGDDQMAPRJ-CVEARBPZSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCCC[NH+]1CC(NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001268310639 804605127 /nfs/dbraw/zinc/60/51/27/804605127.db2.gz YODHIUAMKHDTBF-UHFFFAOYSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001028334464 804718769 /nfs/dbraw/zinc/71/87/69/804718769.db2.gz AQBZTSVEJNOGOO-CVEARBPZSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCC[N@H+]1CC[C@@H](CNC(=O)c2cc3c[nH]ccc-3n2)C1 ZINC001028633097 804938020 /nfs/dbraw/zinc/93/80/20/804938020.db2.gz XCQJUUXBUNJUJM-ZDUSSCGKSA-N 2 1 298.390 2.191 20 30 CEEDMP N#CC1CC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167977215 805511669 /nfs/dbraw/zinc/51/16/69/805511669.db2.gz ANXYOWMEZMGGCD-SVFSVNPNSA-N 2 1 259.397 2.284 20 30 CEEDMP C=CCC[NH+]1CC[C@]2(NC(=O)C[N@H+](C)C(C)C)CCC[C@@H]12 ZINC001284070639 807062428 /nfs/dbraw/zinc/06/24/28/807062428.db2.gz JNXVZIPOIFARHU-NVXWUHKLSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CC[NH+]1CCN([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC001171758488 815225490 /nfs/dbraw/zinc/22/54/90/815225490.db2.gz XJBJAUSAIUNNBL-IEBWSBKVSA-N 2 1 299.462 2.453 20 30 CEEDMP C=CC[NH+]1CCN([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC001171758488 815225493 /nfs/dbraw/zinc/22/54/93/815225493.db2.gz XJBJAUSAIUNNBL-IEBWSBKVSA-N 2 1 299.462 2.453 20 30 CEEDMP C=C(C)CC[N@H+]1CCCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001034527774 809624793 /nfs/dbraw/zinc/62/47/93/809624793.db2.gz HUIUXWDTQNYPIA-MRXNPFEDSA-N 2 1 293.455 2.019 20 30 CEEDMP C=CCCC[C@@H]([NH3+])C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC001121991745 815374353 /nfs/dbraw/zinc/37/43/53/815374353.db2.gz ZKHYUFCEKDDEIQ-JKSUJKDBSA-N 2 1 295.471 2.298 20 30 CEEDMP C=CCC[NH2+]C1(CNC(=O)C[N@H+](C)C(C)C)CCCCC1 ZINC001120207986 810608516 /nfs/dbraw/zinc/60/85/16/810608516.db2.gz PMANRQCBICWDMD-UHFFFAOYSA-N 2 1 295.471 2.311 20 30 CEEDMP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+]1CCC[C@H]1C ZINC001085332033 810725235 /nfs/dbraw/zinc/72/52/35/810725235.db2.gz IPPUMUOWIKQVEE-BZUAXINKSA-N 2 1 293.455 2.064 20 30 CEEDMP C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001129329544 811110773 /nfs/dbraw/zinc/11/07/73/811110773.db2.gz YFBQAHTYRUBZOA-HZPDHXFCSA-N 2 1 295.471 2.025 20 30 CEEDMP C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001129329538 811111052 /nfs/dbraw/zinc/11/10/52/811111052.db2.gz YFBQAHTYRUBZOA-CVEARBPZSA-N 2 1 295.471 2.025 20 30 CEEDMP C[C@@H](CCCC#N)[NH+]1CCC2(CC(N(C)C)=[NH+]O2)CC1 ZINC001172498766 815454259 /nfs/dbraw/zinc/45/42/59/815454259.db2.gz NVZGBGAZTFXXLB-ZDUSSCGKSA-N 2 1 278.400 2.199 20 30 CEEDMP C=CCC[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001046314583 811733922 /nfs/dbraw/zinc/73/39/22/811733922.db2.gz DKNZPFBTFTXVMM-WBVHZDCISA-N 2 1 293.455 2.016 20 30 CEEDMP C=CCC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001046314583 811733929 /nfs/dbraw/zinc/73/39/29/811733929.db2.gz DKNZPFBTFTXVMM-WBVHZDCISA-N 2 1 293.455 2.016 20 30 CEEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)CC[C@H]1C ZINC001132377539 812837210 /nfs/dbraw/zinc/83/72/10/812837210.db2.gz YFUJTGCQCSCCLN-CVEARBPZSA-N 2 1 295.471 2.264 20 30 CEEDMP C=CCCC[NH+]1C[C@H](NC(=O)CC[N@H+](C)CC)CC[C@@H]1C ZINC001132410839 812843214 /nfs/dbraw/zinc/84/32/14/812843214.db2.gz OYIRAWDFQUDQSR-JKSUJKDBSA-N 2 1 295.471 2.264 20 30 CEEDMP C=CCCC[N@@H+]1C[C@H](NC(=O)CC[NH+](C)CC)CC[C@@H]1C ZINC001132410839 812843219 /nfs/dbraw/zinc/84/32/19/812843219.db2.gz OYIRAWDFQUDQSR-JKSUJKDBSA-N 2 1 295.471 2.264 20 30 CEEDMP C=CCCC[N@H+]1C[C@H](NC(=O)CC[NH+](C)CC)CC[C@@H]1C ZINC001132410839 812843226 /nfs/dbraw/zinc/84/32/26/812843226.db2.gz OYIRAWDFQUDQSR-JKSUJKDBSA-N 2 1 295.471 2.264 20 30 CEEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)CC[C@H]1C ZINC001132433035 812847314 /nfs/dbraw/zinc/84/73/14/812847314.db2.gz JRDYKJAQRQPJFH-CVEARBPZSA-N 2 1 295.471 2.264 20 30 CEEDMP CCCCCCC[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001132893004 812956804 /nfs/dbraw/zinc/95/68/04/812956804.db2.gz GKVGRIKZBVNHJQ-HOTGVXAUSA-N 2 1 297.487 2.393 20 30 CEEDMP C=CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001052428184 812991525 /nfs/dbraw/zinc/99/15/25/812991525.db2.gz FNIMEHVQRYYKGZ-HZPDHXFCSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC001052428184 812991538 /nfs/dbraw/zinc/99/15/38/812991538.db2.gz FNIMEHVQRYYKGZ-HZPDHXFCSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC001052428184 812991545 /nfs/dbraw/zinc/99/15/45/812991545.db2.gz FNIMEHVQRYYKGZ-HZPDHXFCSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCCCCC[NH2+]CCNC(=O)C[N@H+](C)CC(C)(C)C ZINC001133906183 813174840 /nfs/dbraw/zinc/17/48/40/813174840.db2.gz PBXCWWLOONDXEZ-UHFFFAOYSA-N 2 1 297.487 2.417 20 30 CEEDMP C=CCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001135009686 813352239 /nfs/dbraw/zinc/35/22/39/813352239.db2.gz ZMSMASHBXKXCQU-ZIAGYGMSSA-N 2 1 292.427 2.031 20 30 CEEDMP C=CCC[C@@H](C)[NH2+]CCCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001160274126 813754698 /nfs/dbraw/zinc/75/46/98/813754698.db2.gz PKQGTSYIVIQYCU-CVEARBPZSA-N 2 1 295.471 2.311 20 30 CEEDMP C=CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)CC[N@H+](C)CC ZINC001099299688 813998223 /nfs/dbraw/zinc/99/82/23/813998223.db2.gz UHSNHXZYAHEQDV-HNNXBMFYSA-N 2 1 295.471 2.121 20 30 CEEDMP C=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC[NH+](C)CC ZINC001099299688 813998225 /nfs/dbraw/zinc/99/82/25/813998225.db2.gz UHSNHXZYAHEQDV-HNNXBMFYSA-N 2 1 295.471 2.121 20 30 CEEDMP C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC[NH+](C)CC ZINC001099299688 813998230 /nfs/dbraw/zinc/99/82/30/813998230.db2.gz UHSNHXZYAHEQDV-HNNXBMFYSA-N 2 1 295.471 2.121 20 30 CEEDMP C[C@@H]1C[C@H]([N@@H+]2CCc3cc(C#N)ccc3C2)CC[NH2+]1 ZINC001246593970 814185946 /nfs/dbraw/zinc/18/59/46/814185946.db2.gz UQOCMZYVDGXLFW-MLGOLLRUSA-N 2 1 255.365 2.057 20 30 CEEDMP C[C@@H]1C[C@H]([N@H+]2CCc3cc(C#N)ccc3C2)CC[NH2+]1 ZINC001246593970 814185950 /nfs/dbraw/zinc/18/59/50/814185950.db2.gz UQOCMZYVDGXLFW-MLGOLLRUSA-N 2 1 255.365 2.057 20 30 CEEDMP C=CCC[C@@H](C)[NH2+]C1CC(CNC(=O)CC[N@H+](C)CC)C1 ZINC001100829669 814195944 /nfs/dbraw/zinc/19/59/44/814195944.db2.gz GHAKPKNXQUZQDN-QQFBHYJXSA-N 2 1 295.471 2.167 20 30 CEEDMP CCc1cc(C#N)ccc1C[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206210393 815778206 /nfs/dbraw/zinc/77/82/06/815778206.db2.gz KGWHQCRPJWGZFA-JKSUJKDBSA-N 2 1 275.371 2.382 20 30 CEEDMP CCCCCCC[NH2+]CCCNC(=O)Cn1cc[nH+]c1C ZINC001176147077 816347485 /nfs/dbraw/zinc/34/74/85/816347485.db2.gz IGQUUCSSQVVPRC-UHFFFAOYSA-N 2 1 294.443 2.258 20 30 CEEDMP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001176164336 816365136 /nfs/dbraw/zinc/36/51/36/816365136.db2.gz ARNZOOPSHXETTP-HZPDHXFCSA-N 2 1 295.471 2.169 20 30 CEEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@H]1C ZINC001179550423 816878597 /nfs/dbraw/zinc/87/85/97/816878597.db2.gz WEVVYWMDXDWASF-GJZGRUSLSA-N 2 1 295.471 2.119 20 30 CEEDMP CC[NH+]1CCC([N@H+](C)CCOc2ccccc2C#N)CC1 ZINC000042679754 362108472 /nfs/dbraw/zinc/10/84/72/362108472.db2.gz QJXODEFJOQUYLE-UHFFFAOYSA-N 2 1 287.407 2.353 20 30 CEEDMP CC[NH+]1CCC([N@@H+](C)CCOc2ccccc2C#N)CC1 ZINC000042679754 362108479 /nfs/dbraw/zinc/10/84/79/362108479.db2.gz QJXODEFJOQUYLE-UHFFFAOYSA-N 2 1 287.407 2.353 20 30 CEEDMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@H](C)CC1(C#N)CCOCC1 ZINC000602534329 347069610 /nfs/dbraw/zinc/06/96/10/347069610.db2.gz SPXWWIXNHPAHGK-HUUCEWRRSA-N 2 1 281.444 2.405 20 30 CEEDMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@H](C)CC1(C#N)CCOCC1 ZINC000602534329 347069611 /nfs/dbraw/zinc/06/96/11/347069611.db2.gz SPXWWIXNHPAHGK-HUUCEWRRSA-N 2 1 281.444 2.405 20 30 CEEDMP CC[NH+](CC)C[C@@H](C)[NH2+][C@@H](C)CC1(C#N)CCOCC1 ZINC000602549617 347072475 /nfs/dbraw/zinc/07/24/75/347072475.db2.gz IRHZLKRMJUMDIF-LSDHHAIUSA-N 2 1 281.444 2.405 20 30 CEEDMP C[N@H+](Cc1cccc(F)c1C#N)CC1CC[NH+](C)CC1 ZINC000589984788 345107634 /nfs/dbraw/zinc/10/76/34/345107634.db2.gz ZYXSGQIYWJCBJY-UHFFFAOYSA-N 2 1 275.371 2.471 20 30 CEEDMP N#Cc1cnccc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592492195 345360326 /nfs/dbraw/zinc/36/03/26/345360326.db2.gz VOUXQIMSMVBRHM-HUUCEWRRSA-N 2 1 284.407 2.165 20 30 CEEDMP N#Cc1cccc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c1 ZINC000593314276 345465629 /nfs/dbraw/zinc/46/56/29/345465629.db2.gz BOFKHBVYSJWTDX-BZSNNMDCSA-N 2 1 299.418 2.277 20 30 CEEDMP C[C@H]1C[C@@H](C[N@H+]2Cc3cccc(C#N)c3C2)CC[NH2+]1 ZINC000593324148 345466608 /nfs/dbraw/zinc/46/66/08/345466608.db2.gz YNLRBQSKIRYVJG-STQMWFEESA-N 2 1 255.365 2.262 20 30 CEEDMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2cccc(C#N)c2)C1 ZINC000598994525 346443376 /nfs/dbraw/zinc/44/33/76/346443376.db2.gz PQSSYEKYXGFMAN-INIZCTEOSA-N 2 1 257.381 2.380 20 30 CEEDMP Cc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1C#N ZINC000600709071 346675247 /nfs/dbraw/zinc/67/52/47/346675247.db2.gz NYPZCYMZLVHIHD-XIRDDKMYSA-N 2 1 269.392 2.426 20 30 CEEDMP Cc1ccc(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cc1C#N ZINC000600710652 346675659 /nfs/dbraw/zinc/67/56/59/346675659.db2.gz PWCCEBHRBBLAJS-XJKSGUPXSA-N 2 1 257.381 2.283 20 30 CEEDMP CC(C)[N@H+](C)CC1CC[NH+](C[C@@H](C#N)CCC#N)CC1 ZINC000609574993 347643827 /nfs/dbraw/zinc/64/38/27/347643827.db2.gz PXOUOWGFDYMZEZ-MRXNPFEDSA-N 2 1 276.428 2.482 20 30 CEEDMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@@H](C#N)CCC#N)CC1 ZINC000609574993 347643831 /nfs/dbraw/zinc/64/38/31/347643831.db2.gz PXOUOWGFDYMZEZ-MRXNPFEDSA-N 2 1 276.428 2.482 20 30 CEEDMP C=CCC1([NH2+]C[C@H](O)C[N@H+](C)CC)CCCCC1 ZINC000625934772 350608879 /nfs/dbraw/zinc/60/88/79/350608879.db2.gz ZIEGGXAUMYBKMX-AWEZNQCLSA-N 2 1 254.418 2.168 20 30 CEEDMP N#CCSCCC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000074991406 363432495 /nfs/dbraw/zinc/43/24/95/363432495.db2.gz WEBXMILKFOUAOG-ILXRZTDVSA-N 2 1 279.453 2.049 20 30 CEEDMP N#CCSCCC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000074991406 363432497 /nfs/dbraw/zinc/43/24/97/363432497.db2.gz WEBXMILKFOUAOG-ILXRZTDVSA-N 2 1 279.453 2.049 20 30 CEEDMP N#CCSCCC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000074991406 363432498 /nfs/dbraw/zinc/43/24/98/363432498.db2.gz WEBXMILKFOUAOG-ILXRZTDVSA-N 2 1 279.453 2.049 20 30 CEEDMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCOc1ccc(C#N)cc1 ZINC000133651835 366243256 /nfs/dbraw/zinc/24/32/56/366243256.db2.gz HHDAAYUFUAXDOP-CKEIUWERSA-N 2 1 287.407 2.255 20 30 CEEDMP C#CC[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821226 364110404 /nfs/dbraw/zinc/11/04/04/364110404.db2.gz RHRKBTCRTGSTKA-UHFFFAOYSA-N 2 1 257.381 2.253 20 30 CEEDMP C[C@H]([NH2+]C1CCN(C)CC1)c1ccc(C#N)cc1F ZINC000335982166 365250741 /nfs/dbraw/zinc/25/07/41/365250741.db2.gz RIIWKOKCPLQEPZ-NSHDSACASA-N 2 1 261.344 2.442 20 30 CEEDMP CC[N@H+]1CC[C@@H]([NH2+]CCc2cccc(C#N)c2)[C@H](C)C1 ZINC000343618564 367919910 /nfs/dbraw/zinc/91/99/10/367919910.db2.gz TVSJUPURHVUKCT-RHSMWYFYSA-N 2 1 271.408 2.421 20 30 CEEDMP CCC[N@@H+](CCN1CC[NH+](CC)CC1)CCC(C)(C)C#N ZINC000344131698 368110064 /nfs/dbraw/zinc/11/00/64/368110064.db2.gz OFKLLKCNDDEZAE-UHFFFAOYSA-N 2 1 294.487 2.276 20 30 CEEDMP N#Cc1ccc(OCC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000246354356 370949272 /nfs/dbraw/zinc/94/92/72/370949272.db2.gz HYPURKMMCYWRQX-HOTGVXAUSA-N 2 1 285.391 2.153 20 30 CEEDMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2cc(C#N)n(C)c2)C1 ZINC000190956785 369663414 /nfs/dbraw/zinc/66/34/14/369663414.db2.gz CIGLYEGQPLLJAJ-CQSZACIVSA-N 2 1 274.412 2.107 20 30 CEEDMP Cn1cc(C[NH2+]CC2(C[NH+](C)C)CCCC2)cc1C#N ZINC000191597068 369726837 /nfs/dbraw/zinc/72/68/37/369726837.db2.gz GWMVDYWHGOKGRJ-UHFFFAOYSA-N 2 1 274.412 2.108 20 30 CEEDMP COc1cc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)ccc1C#N ZINC000234955893 370550974 /nfs/dbraw/zinc/55/09/74/370550974.db2.gz PXOPYHDWFBSOEN-WFASDCNBSA-N 2 1 273.380 2.139 20 30 CEEDMP COc1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1C#N ZINC000234955893 370550977 /nfs/dbraw/zinc/55/09/77/370550977.db2.gz PXOPYHDWFBSOEN-WFASDCNBSA-N 2 1 273.380 2.139 20 30 CEEDMP C=CC[NH+]1CCC([NH2+]CC2CC(OCC)C2)CC1 ZINC000638524042 370590236 /nfs/dbraw/zinc/59/02/36/370590236.db2.gz JIARSQSPABAMIC-UHFFFAOYSA-N 2 1 252.402 2.042 20 30 CEEDMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCCCC#N)[C@@H](C)C1 ZINC000246933555 371033028 /nfs/dbraw/zinc/03/30/28/371033028.db2.gz HEXBIJOVQJUJQP-HOTGVXAUSA-N 2 1 281.444 2.407 20 30 CEEDMP C=CCC1([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)CCOCC1 ZINC000639313928 371219582 /nfs/dbraw/zinc/21/95/82/371219582.db2.gz BJXUJOWYTPGYCD-UONOGXRCSA-N 2 1 252.402 2.184 20 30 CEEDMP C=CCC1([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)CCOCC1 ZINC000639313928 371219587 /nfs/dbraw/zinc/21/95/87/371219587.db2.gz BJXUJOWYTPGYCD-UONOGXRCSA-N 2 1 252.402 2.184 20 30 CEEDMP Cc1ccc(NC(=[NH2+])NCC[N@@H+](C)C2CC2)cc1C ZINC000264125945 371974290 /nfs/dbraw/zinc/97/42/90/371974290.db2.gz WJKSOJYDYONLCF-UHFFFAOYSA-N 2 1 260.385 2.124 20 30 CEEDMP Cc1ccc(NC(=[NH2+])NCC[N@H+](C)C2CC2)cc1C ZINC000264125945 371974298 /nfs/dbraw/zinc/97/42/98/371974298.db2.gz WJKSOJYDYONLCF-UHFFFAOYSA-N 2 1 260.385 2.124 20 30 CEEDMP CC#CC[C@H](CO)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000641768644 372709290 /nfs/dbraw/zinc/70/92/90/372709290.db2.gz FDDLXKQTWBEUTP-GOSISDBHSA-N 2 1 286.419 2.015 20 30 CEEDMP C=CCCOCC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000367614752 373167130 /nfs/dbraw/zinc/16/71/30/373167130.db2.gz IFHVFCXADBWIRJ-KFWWJZLASA-N 2 1 252.402 2.042 20 30 CEEDMP C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000280772321 375317053 /nfs/dbraw/zinc/31/70/53/375317053.db2.gz ZSMBBARDILYNRT-BBRMVZONSA-N 2 1 275.396 2.218 20 30 CEEDMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2(CC#N)CC2)[C@H](C)C1 ZINC000430744692 377547680 /nfs/dbraw/zinc/54/76/80/377547680.db2.gz VKZJIPGZMSNCOQ-HZPDHXFCSA-N 2 1 293.455 2.407 20 30 CEEDMP N#C[C@H]1CC[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)C1 ZINC000442655518 377976408 /nfs/dbraw/zinc/97/64/08/377976408.db2.gz SUVOZKMCUNCXRV-MAUKXSAKSA-N 2 1 299.418 2.301 20 30 CEEDMP COc1cc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)ccc1C#N ZINC000281718272 195349661 /nfs/dbraw/zinc/34/96/61/195349661.db2.gz PBUUUKXIPVXDPA-CYBMUJFWSA-N 2 1 298.390 2.498 20 30 CEEDMP COc1cc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)ccc1C#N ZINC000281720108 195351232 /nfs/dbraw/zinc/35/12/32/195351232.db2.gz PBUUUKXIPVXDPA-ZDUSSCGKSA-N 2 1 298.390 2.498 20 30 CEEDMP C=C(C)C[NH+]1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000358868043 394730108 /nfs/dbraw/zinc/73/01/08/394730108.db2.gz YIYPIFGIULEDLS-HZPDHXFCSA-N 2 1 296.455 2.153 20 30 CEEDMP CC[N@H+]1CCCC[C@@H]1CNC(=[NH2+])Nc1ccc(OC)cc1 ZINC000267439686 394679573 /nfs/dbraw/zinc/67/95/73/394679573.db2.gz OTMVMYBQJXTMKA-CQSZACIVSA-N 2 1 290.411 2.296 20 30 CEEDMP C=CCCC[C@@H](C)[N@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000359504565 394758582 /nfs/dbraw/zinc/75/85/82/394758582.db2.gz CNBFOZRESBRQCD-IAGOWNOFSA-N 2 1 279.472 2.443 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](CC)[C@@H]2CCOC2)CC1 ZINC000153023718 394999614 /nfs/dbraw/zinc/99/96/14/394999614.db2.gz WANKECMFOKHHNA-GDBMZVCRSA-N 2 1 266.429 2.432 20 30 CEEDMP C#CCOc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000290377270 395100835 /nfs/dbraw/zinc/10/08/35/395100835.db2.gz HWERWMHLWYMXPW-MAUKXSAKSA-N 2 1 286.419 2.471 20 30 CEEDMP C#CCOc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000290377270 395100838 /nfs/dbraw/zinc/10/08/38/395100838.db2.gz HWERWMHLWYMXPW-MAUKXSAKSA-N 2 1 286.419 2.471 20 30 CEEDMP C#CCOc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)cc1 ZINC000290377270 395100843 /nfs/dbraw/zinc/10/08/43/395100843.db2.gz HWERWMHLWYMXPW-MAUKXSAKSA-N 2 1 286.419 2.471 20 30 CEEDMP C#CCOc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)cc1 ZINC000290377270 395100846 /nfs/dbraw/zinc/10/08/46/395100846.db2.gz HWERWMHLWYMXPW-MAUKXSAKSA-N 2 1 286.419 2.471 20 30 CEEDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CC(C)(C)CCC#N ZINC000374253225 395077876 /nfs/dbraw/zinc/07/78/76/395077876.db2.gz GIVBZVFQMXNPSI-BZUAXINKSA-N 2 1 293.455 2.500 20 30 CEEDMP C=CCOc1ccc(C[N@H+]2CC[C@H](C[NH2+]C)C2)cc1OC ZINC000347004680 395116179 /nfs/dbraw/zinc/11/61/79/395116179.db2.gz AMURVMLMLLUQAR-OAHLLOKOSA-N 2 1 290.407 2.301 20 30 CEEDMP C=CCOc1ccc(C[N@@H+]2CC[C@H](C[NH2+]C)C2)cc1OC ZINC000347004680 395116182 /nfs/dbraw/zinc/11/61/82/395116182.db2.gz AMURVMLMLLUQAR-OAHLLOKOSA-N 2 1 290.407 2.301 20 30 CEEDMP C[C@H](CCC#N)[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000411246849 395325357 /nfs/dbraw/zinc/32/53/57/395325357.db2.gz OOPOTQOAPJETRG-CYBMUJFWSA-N 2 1 260.385 2.367 20 30 CEEDMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCc3ccc(C#N)cc32)C1 ZINC000353429892 395296637 /nfs/dbraw/zinc/29/66/37/395296637.db2.gz VDIMEIAZVUVNKF-PBHICJAKSA-N 2 1 269.392 2.477 20 30 CEEDMP C=CC[C@@H]1CC[C@H]([NH2+]CCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC000651794290 401393286 /nfs/dbraw/zinc/39/32/86/401393286.db2.gz PZDUBDUDFZYTCD-CVEARBPZSA-N 2 1 279.472 2.347 20 30 CEEDMP Cn1ccnc1C[C@@H]1CCC[N@@H+](Cc2cc(C#N)n(C)c2)C1 ZINC000191464052 153176651 /nfs/dbraw/zinc/17/66/51/153176651.db2.gz NDYCOLYIWMEHBN-AWEZNQCLSA-N 2 1 297.406 2.085 20 30 CEEDMP C=C[C@H](CO)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000657793196 415080938 /nfs/dbraw/zinc/08/09/38/415080938.db2.gz GRXXFUGEOHGFCG-SJORKVTESA-N 2 1 286.419 2.320 20 30 CEEDMP C=C[C@H](CO)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000657793196 415080941 /nfs/dbraw/zinc/08/09/41/415080941.db2.gz GRXXFUGEOHGFCG-SJORKVTESA-N 2 1 286.419 2.320 20 30 CEEDMP C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)C[N@H+](C)C(C)C ZINC000661116739 415104002 /nfs/dbraw/zinc/10/40/02/415104002.db2.gz ZRFNGPNJVLDCKP-OWCLPIDISA-N 2 1 268.445 2.412 20 30 CEEDMP Cn1cc[nH+]c1CC1CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000334944339 225371667 /nfs/dbraw/zinc/37/16/67/225371667.db2.gz FIKSJNDBJMKXSO-LSDHHAIUSA-N 2 1 272.396 2.367 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CO[C@H](C3CC3)C2)CC1 ZINC000667837474 419824001 /nfs/dbraw/zinc/82/40/01/419824001.db2.gz TZAKNBFKSHYVPW-HOTGVXAUSA-N 2 1 264.413 2.184 20 30 CEEDMP C=CCC(C)(C)C[NH2+]C1CC[NH+](CCOC)CC1 ZINC000340430151 263142869 /nfs/dbraw/zinc/14/28/69/263142869.db2.gz PBOYFOZQSCSWMR-UHFFFAOYSA-N 2 1 254.418 2.289 20 30 CEEDMP C=CCOc1ccccc1C[NH2+][C@@H]1CC[NH2+]C[C@H]1C ZINC000414952686 263158192 /nfs/dbraw/zinc/15/81/92/263158192.db2.gz IPHJMCGATAIILY-UKRRQHHQSA-N 2 1 260.381 2.339 20 30 CEEDMP C[NH+]=C(NC[C@H](c1ccco1)[NH+]1CCCC1)NC1CCC1 ZINC000262427704 328150217 /nfs/dbraw/zinc/15/02/17/328150217.db2.gz ICLHPZKDMOOJGQ-CQSZACIVSA-N 2 1 290.411 2.134 20 30 CEEDMP CCCNC(=[NH2+])NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000264147188 328157691 /nfs/dbraw/zinc/15/76/91/328157691.db2.gz YBZJFSHBWZRHCM-GFCCVEGCSA-N 2 1 280.441 2.199 20 30 CEEDMP N#CCSCCC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000173897861 329153490 /nfs/dbraw/zinc/15/34/90/329153490.db2.gz VNMSKTGYUAPRFL-AWEZNQCLSA-N 2 1 267.442 2.051 20 30 CEEDMP Cn1c[nH+]cc1CCC[NH+]1CCC(CCC#N)CC1 ZINC000399463649 328698642 /nfs/dbraw/zinc/69/86/42/328698642.db2.gz QLHDKRAAIHQCOJ-UHFFFAOYSA-N 2 1 260.385 2.368 20 30 CEEDMP C#Cc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000377543216 329018302 /nfs/dbraw/zinc/01/83/02/329018302.db2.gz QCHHKZWNCBBEGP-IRXDYDNUSA-N 2 1 254.377 2.384 20 30 CEEDMP C[C@@H]1C[NH+]=C(NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)N1 ZINC000262682520 330026787 /nfs/dbraw/zinc/02/67/87/330026787.db2.gz WWAIJJBAJOCXLB-YRGRVCCFSA-N 2 1 292.452 2.068 20 30 CEEDMP C=C(C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)c1ccccc1 ZINC000423022874 330165802 /nfs/dbraw/zinc/16/58/02/330165802.db2.gz GIUFBNHLMBMBAM-KZNAEPCWSA-N 2 1 286.419 2.447 20 30 CEEDMP C=C[C@@H]1OCCC[C@H]1[NH2+]CCCCn1cc[nH+]c1C ZINC000451685997 331039180 /nfs/dbraw/zinc/03/91/80/331039180.db2.gz ZEWWUKTYZWAXRG-CABCVRRESA-N 2 1 263.385 2.295 20 30 CEEDMP C=C(C)C[N@H+](CCc1cncn1C)Cc1ccc(CO)o1 ZINC000459460664 331282605 /nfs/dbraw/zinc/28/26/05/331282605.db2.gz IVXJJOZLDZGTCC-UHFFFAOYSA-N 2 1 289.379 2.126 20 30 CEEDMP C=C(C)[C@H]1OCC[C@H]1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459521139 331285740 /nfs/dbraw/zinc/28/57/40/331285740.db2.gz DCEJIZIYAHMVLG-XJKSGUPXSA-N 2 1 264.413 2.184 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1 ZINC000491070690 332146096 /nfs/dbraw/zinc/14/60/96/332146096.db2.gz DTCJTSYTFZSYMD-BRWVUGGUSA-N 2 1 278.440 2.126 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1 ZINC000491070690 332146097 /nfs/dbraw/zinc/14/60/97/332146097.db2.gz DTCJTSYTFZSYMD-BRWVUGGUSA-N 2 1 278.440 2.126 20 30 CEEDMP C=CCC[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000352258379 527326565 /nfs/dbraw/zinc/32/65/65/527326565.db2.gz WGWZSENIPYAJSK-GASCZTMLSA-N 2 1 266.429 2.384 20 30 CEEDMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(OC)c(C#N)c2)C1 ZINC000742368384 575017465 /nfs/dbraw/zinc/01/74/65/575017465.db2.gz FKBWAXYCWRFPEV-HNNXBMFYSA-N 2 1 287.407 2.388 20 30 CEEDMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ccc(CC#N)cc1 ZINC000926625582 625514732 /nfs/dbraw/zinc/51/47/32/625514732.db2.gz DUAUXXVVFJOLBA-SJPCQFCGSA-N 2 1 269.392 2.182 20 30 CEEDMP C=C(C)COCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000820824883 634542496 /nfs/dbraw/zinc/54/24/96/634542496.db2.gz WKWLTPQVRBWOIC-VHRNVKJDSA-N 2 1 264.413 2.327 20 30 CEEDMP C=CC[C@H](C)[C@H](C)[NH2+]CCCCC[NH+]1CCNCC1 ZINC000925843689 628946356 /nfs/dbraw/zinc/94/63/56/628946356.db2.gz GXOFTYASIXHFHL-HOTGVXAUSA-N 2 1 267.461 2.252 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2COCC2(C)C)CC1 ZINC000894228910 629240016 /nfs/dbraw/zinc/24/00/16/629240016.db2.gz JEVDTUBORLTHRZ-CQSZACIVSA-N 2 1 252.402 2.042 20 30 CEEDMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=[NH2+])NC(C)(C)C)C1 ZINC000262026701 629449955 /nfs/dbraw/zinc/44/99/55/629449955.db2.gz ZNRYTRDJHIGCNB-LBPRGKRZSA-N 2 1 268.449 2.200 20 30 CEEDMP C[C@H](CC[NH2+]Cc1cc(C#N)ccc1N(C)C)[NH+](C)C ZINC000895290766 630083364 /nfs/dbraw/zinc/08/33/64/630083364.db2.gz UBKYOEUQPCXATJ-CYBMUJFWSA-N 2 1 274.412 2.054 20 30 CEEDMP C[C@@H](C#N)OCC[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000801915204 631352516 /nfs/dbraw/zinc/35/25/16/631352516.db2.gz KWYLZUMWJVZGLO-DLBZAZTESA-N 2 1 293.455 2.359 20 30 CEEDMP C[C@@H](C#N)OCC[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000801915204 631352526 /nfs/dbraw/zinc/35/25/26/631352526.db2.gz KWYLZUMWJVZGLO-DLBZAZTESA-N 2 1 293.455 2.359 20 30 CEEDMP N#CCc1cccc2c1CC[N@H+](C[C@H]1CC[C@@H]([NH3+])C1)C2 ZINC000903474544 635143668 /nfs/dbraw/zinc/14/36/68/635143668.db2.gz OFPVDOMUNBHJHJ-XJKSGUPXSA-N 2 1 269.392 2.238 20 30 CEEDMP N#Cc1ccc(CC[NH2+][C@@H]2CC[NH2+]C23CCCC3)cc1 ZINC000903481604 635148573 /nfs/dbraw/zinc/14/85/73/635148573.db2.gz HNPIJYCJJHZWNW-MRXNPFEDSA-N 2 1 269.392 2.365 20 30 CEEDMP C=CC[N@H+](Cc1ccccc1)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903723917 635237051 /nfs/dbraw/zinc/23/70/51/635237051.db2.gz ZJVLUADLQCPGSH-MSOLQXFVSA-N 2 1 286.419 2.443 20 30 CEEDMP C[N@@H+](CCc1cccc(C#N)c1)C[C@H]1CCCC[NH2+]C1 ZINC000903777832 635265976 /nfs/dbraw/zinc/26/59/76/635265976.db2.gz GNBJBWDUNOPBNU-KRWDZBQOSA-N 2 1 271.408 2.422 20 30 CEEDMP C=CC[C@H]1CCC[N@H+](C[C@H](C[NH3+])Cc2cnn(C)c2C)C1 ZINC000903933796 635359175 /nfs/dbraw/zinc/35/91/75/635359175.db2.gz VNOUTHNHCLNKGH-HOTGVXAUSA-N 2 1 290.455 2.134 20 30 CEEDMP C[N@@H+](CCc1cccc(C#N)c1)C[C@@]1(C)CCC[NH2+]C1 ZINC000904384223 635606569 /nfs/dbraw/zinc/60/65/69/635606569.db2.gz HJKQYNJZMNNURX-KRWDZBQOSA-N 2 1 271.408 2.422 20 30 CEEDMP C[C@H]1C[C@H](C[N@@H+](C)Cc2cc(C#N)cs2)CC[NH2+]1 ZINC000904469185 635647501 /nfs/dbraw/zinc/64/75/01/635647501.db2.gz JHZKGZIGAZNKKE-NWDGAFQWSA-N 2 1 263.410 2.440 20 30 CEEDMP C[N@@H+](CCCC/N=C/c1ccc(O)c(O)c1O)C1CC1 ZINC000840709762 639527442 /nfs/dbraw/zinc/52/74/42/639527442.db2.gz LNNLDLZWWJOYHP-MHWRWJLKSA-N 2 1 278.352 2.097 20 30 CEEDMP Cc1cc(C#N)cc(C)c1C[NH2+]C1CC[NH+](C)CC1 ZINC000921498231 641608449 /nfs/dbraw/zinc/60/84/49/641608449.db2.gz BQSLIKKFABPWRT-UHFFFAOYSA-N 2 1 257.381 2.359 20 30 CEEDMP C#Cc1cccc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000848553791 642049913 /nfs/dbraw/zinc/04/99/13/642049913.db2.gz XJVLAPIWMIEUGG-LJQANCHMSA-N 2 1 298.430 2.401 20 30 CEEDMP C[C@@H](C[NH2+]Cc1csc(C#N)c1)C[NH+]1CCCC1 ZINC000921552467 642231647 /nfs/dbraw/zinc/23/16/47/642231647.db2.gz LFURZOGEWRDLKO-LBPRGKRZSA-N 2 1 263.410 2.441 20 30 CEEDMP C#CCOCC[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000851741022 643137894 /nfs/dbraw/zinc/13/78/94/643137894.db2.gz DGLPHEVKYRZLCJ-KRWDZBQOSA-N 2 1 278.440 2.080 20 30 CEEDMP C#CCOCC[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000851741022 643137900 /nfs/dbraw/zinc/13/79/00/643137900.db2.gz DGLPHEVKYRZLCJ-KRWDZBQOSA-N 2 1 278.440 2.080 20 30 CEEDMP C[N@H+](C[C@@H](O)c1ccc(C#N)cc1)C1(C[NH3+])CCCCC1 ZINC000923422796 643702788 /nfs/dbraw/zinc/70/27/88/643702788.db2.gz NBZFJZWUBWIFCT-MRXNPFEDSA-N 2 1 287.407 2.185 20 30 CEEDMP C[N@@H+](C[C@@H](O)c1ccc(C#N)cc1)C1(C[NH3+])CCCCC1 ZINC000923422796 643702794 /nfs/dbraw/zinc/70/27/94/643702794.db2.gz NBZFJZWUBWIFCT-MRXNPFEDSA-N 2 1 287.407 2.185 20 30 CEEDMP C=CC[NH+]1CC[C@@H](Oc2ccnc(C[N@H+](C)CC)c2)C1 ZINC000856592692 644696110 /nfs/dbraw/zinc/69/61/10/644696110.db2.gz VVZRCHKOIBXPHZ-MRXNPFEDSA-N 2 1 275.396 2.172 20 30 CEEDMP C=CC[N@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856592692 644696114 /nfs/dbraw/zinc/69/61/14/644696114.db2.gz VVZRCHKOIBXPHZ-MRXNPFEDSA-N 2 1 275.396 2.172 20 30 CEEDMP C=CC[N@@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856592692 644696123 /nfs/dbraw/zinc/69/61/23/644696123.db2.gz VVZRCHKOIBXPHZ-MRXNPFEDSA-N 2 1 275.396 2.172 20 30 CEEDMP CC[N@@H+](CCO[C@H](C)C#N)Cc1ccc(C[NH+](C)C)cc1 ZINC000859997978 645672525 /nfs/dbraw/zinc/67/25/25/645672525.db2.gz UOEHARMWOVSCRG-OAHLLOKOSA-N 2 1 289.423 2.499 20 30 CEEDMP C[C@H](CC#N)[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775677818 646979891 /nfs/dbraw/zinc/97/98/91/646979891.db2.gz RJTBCCOQHQBHHA-OAHLLOKOSA-N 2 1 286.423 2.172 20 30 CEEDMP C[C@H](CC#N)[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775677818 646979893 /nfs/dbraw/zinc/97/98/93/646979893.db2.gz RJTBCCOQHQBHHA-OAHLLOKOSA-N 2 1 286.423 2.172 20 30 CEEDMP C=CC(C)(C)CCC[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000872243761 649326589 /nfs/dbraw/zinc/32/65/89/649326589.db2.gz VMITXLKAMHMYBG-CQSZACIVSA-N 2 1 254.418 2.024 20 30 CEEDMP C=CC(C)(C)CCC[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000872243761 649326591 /nfs/dbraw/zinc/32/65/91/649326591.db2.gz VMITXLKAMHMYBG-CQSZACIVSA-N 2 1 254.418 2.024 20 30 CEEDMP C[N@H+]1CC[C@H]2C[NH+](CCc3ccc(C#N)cc3)CC[C@H]21 ZINC000879579908 651326478 /nfs/dbraw/zinc/32/64/78/651326478.db2.gz QDCFMOCGXKXRDG-DLBZAZTESA-N 2 1 269.392 2.127 20 30 CEEDMP C[NH+]1CC[C@H]2C[N@H+](CCc3ccc(C#N)cc3)CC[C@H]21 ZINC000879579908 651326480 /nfs/dbraw/zinc/32/64/80/651326480.db2.gz QDCFMOCGXKXRDG-DLBZAZTESA-N 2 1 269.392 2.127 20 30 CEEDMP C[NH+]1CC[C@H]2C[N@@H+](CCc3ccc(C#N)cc3)CC[C@H]21 ZINC000879579908 651326482 /nfs/dbraw/zinc/32/64/82/651326482.db2.gz QDCFMOCGXKXRDG-DLBZAZTESA-N 2 1 269.392 2.127 20 30 CEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@H]1C ZINC001088688341 806588686 /nfs/dbraw/zinc/58/86/86/806588686.db2.gz FWVLHARWMAYCCM-CJNGLKHVSA-N 2 1 298.390 2.021 20 30 CEEDMP C#CCCC[N@H+]1C[C@H]2C[C@H](C[NH+](Cc3ccco3)C2)C1 ZINC001209266929 802492325 /nfs/dbraw/zinc/49/23/25/802492325.db2.gz GGVUUSUIPATUME-IYBDPMFKSA-N 2 1 272.392 2.447 20 30 CEEDMP C#CCCC[N@@H+]1C[C@H]2C[C@H](C[NH+](Cc3ccco3)C2)C1 ZINC001209266929 802492328 /nfs/dbraw/zinc/49/23/28/802492328.db2.gz GGVUUSUIPATUME-IYBDPMFKSA-N 2 1 272.392 2.447 20 30 CEEDMP C#CCCC[NH+]1C[C@H]2C[C@@H](C1)C[N@@H+](Cc1ccco1)C2 ZINC001209266929 802492331 /nfs/dbraw/zinc/49/23/31/802492331.db2.gz GGVUUSUIPATUME-IYBDPMFKSA-N 2 1 272.392 2.447 20 30 CEEDMP C#CCCC[NH+]1C[C@H]2C[C@@H](C1)C[N@H+](Cc1ccco1)C2 ZINC001209266929 802492334 /nfs/dbraw/zinc/49/23/34/802492334.db2.gz GGVUUSUIPATUME-IYBDPMFKSA-N 2 1 272.392 2.447 20 30 CEEDMP C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001266495157 802630967 /nfs/dbraw/zinc/63/09/67/802630967.db2.gz IDFVHGQEBAGIOC-MRXNPFEDSA-N 2 1 293.455 2.019 20 30 CEEDMP C=C(C)CC[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001266854455 802944035 /nfs/dbraw/zinc/94/40/35/802944035.db2.gz PJCNXXWWNZQYBV-INIZCTEOSA-N 2 1 295.471 2.264 20 30 CEEDMP C=CCC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001027879735 804316233 /nfs/dbraw/zinc/31/62/33/804316233.db2.gz XCUFHXOPCWGEFK-CVEARBPZSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001027879735 804316242 /nfs/dbraw/zinc/31/62/42/804316242.db2.gz XCUFHXOPCWGEFK-CVEARBPZSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001027879735 804316250 /nfs/dbraw/zinc/31/62/50/804316250.db2.gz XCUFHXOPCWGEFK-CVEARBPZSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001028181241 804518639 /nfs/dbraw/zinc/51/86/39/804518639.db2.gz PHKPAMVCTAJANH-HOTGVXAUSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001028181241 804518642 /nfs/dbraw/zinc/51/86/42/804518642.db2.gz PHKPAMVCTAJANH-HOTGVXAUSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001028181241 804518649 /nfs/dbraw/zinc/51/86/49/804518649.db2.gz PHKPAMVCTAJANH-HOTGVXAUSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CC[NH2+]CCCN(C)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001268797810 804974742 /nfs/dbraw/zinc/97/47/42/804974742.db2.gz YLWOATGNOBDHTD-INIZCTEOSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCCCCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001269092092 805044856 /nfs/dbraw/zinc/04/48/56/805044856.db2.gz LLMXWGDSVGFZSB-INIZCTEOSA-N 2 1 293.455 2.019 20 30 CEEDMP C=CCCC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CCC)[C@@H](C)C1 ZINC001269980590 805301012 /nfs/dbraw/zinc/30/10/12/805301012.db2.gz HECFQRJVZYDBLC-HOTGVXAUSA-N 2 1 295.471 2.264 20 30 CEEDMP C=CCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001270215294 805373810 /nfs/dbraw/zinc/37/38/10/805373810.db2.gz AHQGUFJQECNHRG-HZPDHXFCSA-N 2 1 293.455 2.018 20 30 CEEDMP C#CC[C@@H](COC)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000716847725 815153525 /nfs/dbraw/zinc/15/35/25/815153525.db2.gz OSSPVUZHVQVXFS-SFHVURJKSA-N 2 1 286.419 2.279 20 30 CEEDMP C=CCCCCC[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001128784504 809462798 /nfs/dbraw/zinc/46/27/98/809462798.db2.gz NOAPIURDWPIITR-INIZCTEOSA-N 2 1 295.471 2.313 20 30 CEEDMP C=CCC[NH+]1CCCC[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001034397818 809600507 /nfs/dbraw/zinc/60/05/07/809600507.db2.gz LUEIIKNMBBEYBP-CVEARBPZSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCC[N@H+]1CCCC[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001034397818 809600514 /nfs/dbraw/zinc/60/05/14/809600514.db2.gz LUEIIKNMBBEYBP-CVEARBPZSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCC[N@@H+]1CCCC[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001034397818 809600522 /nfs/dbraw/zinc/60/05/22/809600522.db2.gz LUEIIKNMBBEYBP-CVEARBPZSA-N 2 1 293.455 2.018 20 30 CEEDMP C#Cc1cccc(C[NH2+]C2CC[NH+](CCCOC)CC2)c1 ZINC001172246739 815356509 /nfs/dbraw/zinc/35/65/09/815356509.db2.gz RXYMHBQCKMCGKZ-UHFFFAOYSA-N 2 1 286.419 2.258 20 30 CEEDMP C[C@H]1C[N@@H+](Cc2ccccc2C#N)CCC[C@H]1C[NH3+] ZINC001205996099 811306055 /nfs/dbraw/zinc/30/60/55/811306055.db2.gz UTVJUPHZRAOFOR-KBPBESRZSA-N 2 1 257.381 2.365 20 30 CEEDMP C[C@@H]1C[N@@H+](Cc2ccccc2C#N)CCC[C@H]1C[NH3+] ZINC001205996100 811306616 /nfs/dbraw/zinc/30/66/16/811306616.db2.gz UTVJUPHZRAOFOR-KGLIPLIRSA-N 2 1 257.381 2.365 20 30 CEEDMP C=C(C)C[NH+]1CCC[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001052712362 812450100 /nfs/dbraw/zinc/45/01/00/812450100.db2.gz HLXAJLJQAZVVSE-HOTGVXAUSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)C[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC001052712362 812450103 /nfs/dbraw/zinc/45/01/03/812450103.db2.gz HLXAJLJQAZVVSE-HOTGVXAUSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC001052712362 812450111 /nfs/dbraw/zinc/45/01/11/812450111.db2.gz HLXAJLJQAZVVSE-HOTGVXAUSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCC[NH+]1CCC[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001052717738 812452755 /nfs/dbraw/zinc/45/27/55/812452755.db2.gz YOXINVDELUUPTH-CVEARBPZSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCC[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC001052717738 812452760 /nfs/dbraw/zinc/45/27/60/812452760.db2.gz YOXINVDELUUPTH-CVEARBPZSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC001052717738 812452765 /nfs/dbraw/zinc/45/27/65/812452765.db2.gz YOXINVDELUUPTH-CVEARBPZSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001052955876 812478892 /nfs/dbraw/zinc/47/88/92/812478892.db2.gz KTVIQPPVFDLNTI-JKSUJKDBSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001052955876 812478895 /nfs/dbraw/zinc/47/88/95/812478895.db2.gz KTVIQPPVFDLNTI-JKSUJKDBSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001052955876 812478897 /nfs/dbraw/zinc/47/88/97/812478897.db2.gz KTVIQPPVFDLNTI-JKSUJKDBSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)CC[C@@H]1C ZINC001132377540 812837125 /nfs/dbraw/zinc/83/71/25/812837125.db2.gz YFUJTGCQCSCCLN-HOTGVXAUSA-N 2 1 295.471 2.264 20 30 CEEDMP C=CCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001134607137 813297977 /nfs/dbraw/zinc/29/79/77/813297977.db2.gz DJOYHVROBZDFGV-HUUCEWRRSA-N 2 1 295.471 2.310 20 30 CEEDMP C=CCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001135009683 813351937 /nfs/dbraw/zinc/35/19/37/813351937.db2.gz ZMSMASHBXKXCQU-KBPBESRZSA-N 2 1 292.427 2.031 20 30 CEEDMP C=CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001135475475 813442674 /nfs/dbraw/zinc/44/26/74/813442674.db2.gz AVZICTCMEZYCTM-LSDHHAIUSA-N 2 1 295.471 2.167 20 30 CEEDMP C=CC[N@@H+]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2)CC[C@@H]1C ZINC001071686019 813465242 /nfs/dbraw/zinc/46/52/42/813465242.db2.gz LZGTYQGCARYBSC-DZGCQCFKSA-N 2 1 298.390 2.103 20 30 CEEDMP C[C@H](Cc1cccc(C#N)c1)[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC001171202774 814134552 /nfs/dbraw/zinc/13/45/52/814134552.db2.gz GANSFIROVXDVOB-JJRVBVJISA-N 2 1 271.408 2.419 20 30 CEEDMP C[C@H](Cc1cccc(C#N)c1)[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC001171202774 814134553 /nfs/dbraw/zinc/13/45/53/814134553.db2.gz GANSFIROVXDVOB-JJRVBVJISA-N 2 1 271.408 2.419 20 30 CEEDMP C=C(C)CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001146333485 814275007 /nfs/dbraw/zinc/27/50/07/814275007.db2.gz OHSUQKLKWPFRAC-UONOGXRCSA-N 2 1 292.427 2.031 20 30 CEEDMP C=CCOC1CCC([NH2+]CCn2cc[nH+]c2C)CC1 ZINC001173312139 815665095 /nfs/dbraw/zinc/66/50/95/815665095.db2.gz VGXLNSLQCKDQCX-UHFFFAOYSA-N 2 1 263.385 2.295 20 30 CEEDMP CC[N@H+]1CC[C@H](n2cc(CC[NH3+])c3cc(C#N)ccc32)C1 ZINC001173360660 815701011 /nfs/dbraw/zinc/70/10/11/815701011.db2.gz QSMXMSCYWJGBAX-HNNXBMFYSA-N 2 1 282.391 2.281 20 30 CEEDMP C[NH+]1CCC2(C[NH+](Cc3ccc(C#N)c(F)c3)C2)CC1 ZINC001139530949 816041381 /nfs/dbraw/zinc/04/13/81/816041381.db2.gz YONJQTHNFZJQKQ-UHFFFAOYSA-N 2 1 273.355 2.225 20 30 CEEDMP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)CC[N@H+](C)CC ZINC001176025117 816326934 /nfs/dbraw/zinc/32/69/34/816326934.db2.gz XZWZSVDPZKDOFA-OAHLLOKOSA-N 2 1 283.460 2.169 20 30 CEEDMP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001176164337 816364817 /nfs/dbraw/zinc/36/48/17/816364817.db2.gz ARNZOOPSHXETTP-JKSUJKDBSA-N 2 1 295.471 2.169 20 30 CEEDMP CC#CC[NH2+]CCCC[C@H](C)NC(=O)CC[N@H+](C)CCC ZINC001176268550 816385455 /nfs/dbraw/zinc/38/54/55/816385455.db2.gz KTHVTZANZGSEQS-INIZCTEOSA-N 2 1 295.471 2.006 20 30 CEEDMP C[NH+](C)CCCO[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001206297783 816541525 /nfs/dbraw/zinc/54/15/25/816541525.db2.gz YPCABUYSUURRAB-KRWDZBQOSA-N 2 1 287.407 2.101 20 30 CEEDMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000037748867 361928213 /nfs/dbraw/zinc/92/82/13/361928213.db2.gz ZVOPWJSXNWXECR-DVOMOZLQSA-N 2 1 257.381 2.377 20 30 CEEDMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000037748867 361928216 /nfs/dbraw/zinc/92/82/16/361928216.db2.gz ZVOPWJSXNWXECR-DVOMOZLQSA-N 2 1 257.381 2.377 20 30 CEEDMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H](C)CC1(C#N)CCOCC1 ZINC000602508994 347061709 /nfs/dbraw/zinc/06/17/09/347061709.db2.gz DZFHUBUNVXLHHB-LSDHHAIUSA-N 2 1 281.444 2.405 20 30 CEEDMP CC[NH+]1CCN(CCCC[NH2+]C2CCC(C#N)CC2)CC1 ZINC000602510050 347061829 /nfs/dbraw/zinc/06/18/29/347061829.db2.gz IQKILOQXMCGJOK-UHFFFAOYSA-N 2 1 292.471 2.076 20 30 CEEDMP C[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccc(C#N)cc1F ZINC000591572796 345265379 /nfs/dbraw/zinc/26/53/79/345265379.db2.gz SDHKMTAILGNVAX-DGCLKSJQSA-N 2 1 261.344 2.490 20 30 CEEDMP N#Cc1cccc(C[N@H+](C2CC2)C2CC[NH2+]CC2)c1 ZINC000592983003 345418715 /nfs/dbraw/zinc/41/87/15/345418715.db2.gz QJGIMIAIUPVGHS-UHFFFAOYSA-N 2 1 255.365 2.275 20 30 CEEDMP N#Cc1cccc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)c1 ZINC000592983003 345418717 /nfs/dbraw/zinc/41/87/17/345418717.db2.gz QJGIMIAIUPVGHS-UHFFFAOYSA-N 2 1 255.365 2.275 20 30 CEEDMP C[N@@H+](CCc1ccc(C#N)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000595328955 345762989 /nfs/dbraw/zinc/76/29/89/345762989.db2.gz CQJXRLKKMKPAOY-QGZVFWFLSA-N 2 1 271.408 2.374 20 30 CEEDMP C[NH+](CCc1ccc(C#N)cc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000595328955 345762991 /nfs/dbraw/zinc/76/29/91/345762991.db2.gz CQJXRLKKMKPAOY-QGZVFWFLSA-N 2 1 271.408 2.374 20 30 CEEDMP C[NH+](CCc1ccc(C#N)cc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000595328955 345762993 /nfs/dbraw/zinc/76/29/93/345762993.db2.gz CQJXRLKKMKPAOY-QGZVFWFLSA-N 2 1 271.408 2.374 20 30 CEEDMP N#Cc1ccc(CC[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000595895803 345909385 /nfs/dbraw/zinc/90/93/85/345909385.db2.gz VTXDJKKJGMMDFS-QZTJIDSGSA-N 2 1 283.419 2.422 20 30 CEEDMP CC(C)(C#N)C[C@H](O)C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000598585663 346377978 /nfs/dbraw/zinc/37/79/78/346377978.db2.gz INZLPVJOSOHZRC-INIZCTEOSA-N 2 1 293.455 2.237 20 30 CEEDMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)CC(C)(C)C#N)C[C@@H]1C ZINC000598596878 346381113 /nfs/dbraw/zinc/38/11/13/346381113.db2.gz USPJGNDQXYRQTO-KKUMJFAQSA-N 2 1 281.444 2.092 20 30 CEEDMP N#Cc1ccccc1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000598680517 346400339 /nfs/dbraw/zinc/40/03/39/346400339.db2.gz ZHZDXJMTJFQJRD-WBVHZDCISA-N 2 1 269.392 2.380 20 30 CEEDMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598699647 346403207 /nfs/dbraw/zinc/40/32/07/346403207.db2.gz HFRCMRSJYISLJP-XHSDSOJGSA-N 2 1 295.471 2.245 20 30 CEEDMP C[N@H+]1CCCC[C@H](CNCc2cc(C#N)cs2)C1 ZINC000598993983 346443686 /nfs/dbraw/zinc/44/36/86/346443686.db2.gz FPKNOIKAYNTIGH-GFCCVEGCSA-N 2 1 263.410 2.441 20 30 CEEDMP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2cc(C#N)cs2)C1 ZINC000598993983 346443689 /nfs/dbraw/zinc/44/36/89/346443689.db2.gz FPKNOIKAYNTIGH-GFCCVEGCSA-N 2 1 263.410 2.441 20 30 CEEDMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2cc(C#N)cs2)C1 ZINC000598993983 346443692 /nfs/dbraw/zinc/44/36/92/346443692.db2.gz FPKNOIKAYNTIGH-GFCCVEGCSA-N 2 1 263.410 2.441 20 30 CEEDMP C[N@H+]1CCC[C@H]2C[NH+](CCOc3cccc(C#N)c3)CC[C@@H]21 ZINC000129105051 365824913 /nfs/dbraw/zinc/82/49/13/365824913.db2.gz GVQFZXJVLKSFEW-WMZOPIPTSA-N 2 1 299.418 2.353 20 30 CEEDMP C[NH+]1CCC[C@H]2C[N@H+](CCOc3cccc(C#N)c3)CC[C@@H]21 ZINC000129105051 365824917 /nfs/dbraw/zinc/82/49/17/365824917.db2.gz GVQFZXJVLKSFEW-WMZOPIPTSA-N 2 1 299.418 2.353 20 30 CEEDMP C[NH+]1CCC[C@H]2C[N@@H+](CCOc3cccc(C#N)c3)CC[C@@H]21 ZINC000129105051 365824922 /nfs/dbraw/zinc/82/49/22/365824922.db2.gz GVQFZXJVLKSFEW-WMZOPIPTSA-N 2 1 299.418 2.353 20 30 CEEDMP N#CCC1(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)CC1 ZINC000602785527 347197530 /nfs/dbraw/zinc/19/75/30/347197530.db2.gz UWQGSUURIJXJCN-HNNXBMFYSA-N 2 1 261.413 2.488 20 30 CEEDMP N#CCC1(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)CC1 ZINC000602785527 347197532 /nfs/dbraw/zinc/19/75/32/347197532.db2.gz UWQGSUURIJXJCN-HNNXBMFYSA-N 2 1 261.413 2.488 20 30 CEEDMP C[NH+](C)C[C@]1(O)CCC[N@H+](CCC2(C#N)CCCCC2)C1 ZINC000602875856 347235293 /nfs/dbraw/zinc/23/52/93/347235293.db2.gz BCOCVAYABRKKOV-QGZVFWFLSA-N 2 1 293.455 2.239 20 30 CEEDMP C[NH+](C)C[C@]1(O)CCC[N@@H+](CCC2(C#N)CCCCC2)C1 ZINC000602875856 347235296 /nfs/dbraw/zinc/23/52/96/347235296.db2.gz BCOCVAYABRKKOV-QGZVFWFLSA-N 2 1 293.455 2.239 20 30 CEEDMP N#CCOc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000106868637 186144475 /nfs/dbraw/zinc/14/44/75/186144475.db2.gz NEZZEANEGMZOII-HZPDHXFCSA-N 2 1 285.391 2.305 20 30 CEEDMP N#Cc1ccc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)s1 ZINC000135678966 366467089 /nfs/dbraw/zinc/46/70/89/366467089.db2.gz ACHNGPZZMCXVKP-LLVKDONJSA-N 2 1 261.394 2.194 20 30 CEEDMP N#Cc1ccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)s1 ZINC000135678966 366467095 /nfs/dbraw/zinc/46/70/95/366467095.db2.gz ACHNGPZZMCXVKP-LLVKDONJSA-N 2 1 261.394 2.194 20 30 CEEDMP C[C@H](C[NH2+]Cc1ccc(C#N)s1)C[NH+]1CCCC1 ZINC000135681585 366467212 /nfs/dbraw/zinc/46/72/12/366467212.db2.gz PNMNQUIAQVWBAY-GFCCVEGCSA-N 2 1 263.410 2.441 20 30 CEEDMP C[N@@H+](CCCSCC#N)CC[C@@H]1CCCC[NH+]1C ZINC000080629390 363675782 /nfs/dbraw/zinc/67/57/82/363675782.db2.gz LJDDMAYNIZSVOG-AWEZNQCLSA-N 2 1 269.458 2.439 20 30 CEEDMP C[NH+](CCCSCC#N)CC[C@@H]1CCCC[N@@H+]1C ZINC000080629390 363675784 /nfs/dbraw/zinc/67/57/84/363675784.db2.gz LJDDMAYNIZSVOG-AWEZNQCLSA-N 2 1 269.458 2.439 20 30 CEEDMP C[NH+](CCCSCC#N)CC[C@@H]1CCCC[N@H+]1C ZINC000080629390 363675786 /nfs/dbraw/zinc/67/57/86/363675786.db2.gz LJDDMAYNIZSVOG-AWEZNQCLSA-N 2 1 269.458 2.439 20 30 CEEDMP C[C@H](C[NH2+]Cc1cc(C#N)n(C)c1)C[NH+]1CCCCC1 ZINC000189589511 189538677 /nfs/dbraw/zinc/53/86/77/189538677.db2.gz RZACGPHNNMPOHV-CQSZACIVSA-N 2 1 274.412 2.108 20 30 CEEDMP COc1ccc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)cc1C#N ZINC000174349939 368013819 /nfs/dbraw/zinc/01/38/19/368013819.db2.gz VYFDOZGBEVVBDX-ZDUSSCGKSA-N 2 1 298.390 2.498 20 30 CEEDMP COc1cc(C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)ccc1C#N ZINC000234800147 370542609 /nfs/dbraw/zinc/54/26/09/370542609.db2.gz IVNNVQPKEFYTLJ-OAHLLOKOSA-N 2 1 275.396 2.372 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)Cc2cnccn2)CC1 ZINC000638524814 370590585 /nfs/dbraw/zinc/59/05/85/370590585.db2.gz SJRRHHIRKFUAJX-CQSZACIVSA-N 2 1 274.412 2.038 20 30 CEEDMP C[N@H+]1CCC[C@H]2CN(CCOc3ccccc3C#N)CC[C@H]21 ZINC000247967043 371149693 /nfs/dbraw/zinc/14/96/93/371149693.db2.gz IENDDQIQQNWPAL-DLBZAZTESA-N 2 1 299.418 2.353 20 30 CEEDMP C[N@@H+]1CCC[C@H]2C[NH+](CCOc3ccccc3C#N)CC[C@H]21 ZINC000247967043 371149698 /nfs/dbraw/zinc/14/96/98/371149698.db2.gz IENDDQIQQNWPAL-DLBZAZTESA-N 2 1 299.418 2.353 20 30 CEEDMP C[N@H+]1CCC[C@H]2C[NH+](CCOc3ccccc3C#N)CC[C@H]21 ZINC000247967043 371149703 /nfs/dbraw/zinc/14/97/03/371149703.db2.gz IENDDQIQQNWPAL-DLBZAZTESA-N 2 1 299.418 2.353 20 30 CEEDMP C[NH+]1CCC[C@H]2C[N@H+](CCOc3ccccc3C#N)CC[C@H]21 ZINC000247967043 371149710 /nfs/dbraw/zinc/14/97/10/371149710.db2.gz IENDDQIQQNWPAL-DLBZAZTESA-N 2 1 299.418 2.353 20 30 CEEDMP C[NH+]1CCC[C@H]2C[N@@H+](CCOc3ccccc3C#N)CC[C@H]21 ZINC000247967043 371149715 /nfs/dbraw/zinc/14/97/15/371149715.db2.gz IENDDQIQQNWPAL-DLBZAZTESA-N 2 1 299.418 2.353 20 30 CEEDMP C[N@H+]1CCC[C@H]2C[NH+](CCCSCC#N)CC[C@H]21 ZINC000248159909 371165629 /nfs/dbraw/zinc/16/56/29/371165629.db2.gz RZCUEAOXLLILQV-UONOGXRCSA-N 2 1 267.442 2.049 20 30 CEEDMP C[NH+]1CCC[C@H]2C[N@H+](CCCSCC#N)CC[C@H]21 ZINC000248159909 371165634 /nfs/dbraw/zinc/16/56/34/371165634.db2.gz RZCUEAOXLLILQV-UONOGXRCSA-N 2 1 267.442 2.049 20 30 CEEDMP C[NH+]1CCC[C@H]2C[N@@H+](CCCSCC#N)CC[C@H]21 ZINC000248159909 371165638 /nfs/dbraw/zinc/16/56/38/371165638.db2.gz RZCUEAOXLLILQV-UONOGXRCSA-N 2 1 267.442 2.049 20 30 CEEDMP N#Cc1csc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000250761301 371390672 /nfs/dbraw/zinc/39/06/72/371390672.db2.gz IHPWUYXPGLXBJK-STQMWFEESA-N 2 1 261.394 2.336 20 30 CEEDMP N#Cc1csc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000250761301 371390676 /nfs/dbraw/zinc/39/06/76/371390676.db2.gz IHPWUYXPGLXBJK-STQMWFEESA-N 2 1 261.394 2.336 20 30 CEEDMP COc1cc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)ccc1C#N ZINC000261600960 371672864 /nfs/dbraw/zinc/67/28/64/371672864.db2.gz ZKXCUFSTOAOSMD-JYJNAYRXSA-N 2 1 285.391 2.126 20 30 CEEDMP C[NH+]=C(NC[C@H]1CC[N@H+](C2CC2)C1)N1CCc2ccccc21 ZINC000263252824 371932442 /nfs/dbraw/zinc/93/24/42/371932442.db2.gz PMWUOIXREPXSIQ-CQSZACIVSA-N 2 1 298.434 2.109 20 30 CEEDMP CC[C@H](C)[N@@H+](C)CCNC(=[NH2+])Nc1ccc(OC)cc1 ZINC000264286276 371989696 /nfs/dbraw/zinc/98/96/96/371989696.db2.gz OWNZQXOEMOFABI-LBPRGKRZSA-N 2 1 278.400 2.152 20 30 CEEDMP C[N@@H+]1CC=C(C[NH2+]C2CC(C#N)(c3ccccc3)C2)CC1 ZINC000368424564 373240278 /nfs/dbraw/zinc/24/02/78/373240278.db2.gz LOVNGUKVISDWNG-UHFFFAOYSA-N 2 1 281.403 2.462 20 30 CEEDMP C=CC[NH+]1CCC([NH2+]C[C@@H](O)[C@@H](C)c2ccccc2)CC1 ZINC000644549089 373525220 /nfs/dbraw/zinc/52/52/20/373525220.db2.gz POUHJEOGXDIQMP-MAUKXSAKSA-N 2 1 288.435 2.391 20 30 CEEDMP C=CC[C@H](CO)[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274815422 374058944 /nfs/dbraw/zinc/05/89/44/374058944.db2.gz ZADKOZRGKZTCSQ-KBAYOESNSA-N 2 1 288.435 2.424 20 30 CEEDMP C[NH+](C)[C@H]1CCC[N@H+](C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000277283224 374462989 /nfs/dbraw/zinc/46/29/89/374462989.db2.gz SLLLQEIWBKELJP-IRXDYDNUSA-N 2 1 287.407 2.008 20 30 CEEDMP C[NH+](C)[C@H]1CCC[N@@H+](C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000277283224 374462991 /nfs/dbraw/zinc/46/29/91/374462991.db2.gz SLLLQEIWBKELJP-IRXDYDNUSA-N 2 1 287.407 2.008 20 30 CEEDMP C[C@@H]1C[N@@H+](CCCNCc2ccc(C#N)s2)CCCO1 ZINC000277956804 374694077 /nfs/dbraw/zinc/69/40/77/374694077.db2.gz RUUMMMRQBRDBEG-CYBMUJFWSA-N 2 1 293.436 2.210 20 30 CEEDMP C[C@@H]1CN(CCC[NH2+]Cc2ccc(C#N)s2)CCCO1 ZINC000277956804 374694083 /nfs/dbraw/zinc/69/40/83/374694083.db2.gz RUUMMMRQBRDBEG-CYBMUJFWSA-N 2 1 293.436 2.210 20 30 CEEDMP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ccc(C#N)s2)CCCO1 ZINC000277956804 374694090 /nfs/dbraw/zinc/69/40/90/374694090.db2.gz RUUMMMRQBRDBEG-CYBMUJFWSA-N 2 1 293.436 2.210 20 30 CEEDMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccc(C#N)s2)CCCO1 ZINC000277956804 374694094 /nfs/dbraw/zinc/69/40/94/374694094.db2.gz RUUMMMRQBRDBEG-CYBMUJFWSA-N 2 1 293.436 2.210 20 30 CEEDMP COc1cc(CN(C)C[C@@H]2CCC[N@@H+](C)C2)ccc1C#N ZINC000282404310 375476215 /nfs/dbraw/zinc/47/62/15/375476215.db2.gz RTVVIWLTHWUHJI-OAHLLOKOSA-N 2 1 287.407 2.340 20 30 CEEDMP COc1cc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)ccc1C#N ZINC000282404310 375476218 /nfs/dbraw/zinc/47/62/18/375476218.db2.gz RTVVIWLTHWUHJI-OAHLLOKOSA-N 2 1 287.407 2.340 20 30 CEEDMP COc1cc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)ccc1C#N ZINC000282404310 375476225 /nfs/dbraw/zinc/47/62/25/375476225.db2.gz RTVVIWLTHWUHJI-OAHLLOKOSA-N 2 1 287.407 2.340 20 30 CEEDMP CCC([NH3+])(CC)C[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC000414815404 376002293 /nfs/dbraw/zinc/00/22/93/376002293.db2.gz XMACKZHUKYZGLN-UHFFFAOYSA-N 2 1 261.369 2.174 20 30 CEEDMP COc1ccc(CN(C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc1C#N ZINC000290586844 376844026 /nfs/dbraw/zinc/84/40/26/376844026.db2.gz UZVZTRBPIDQWFV-CZUORRHYSA-N 2 1 287.407 2.339 20 30 CEEDMP COc1ccc(CN(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1C#N ZINC000290586844 376844031 /nfs/dbraw/zinc/84/40/31/376844031.db2.gz UZVZTRBPIDQWFV-CZUORRHYSA-N 2 1 287.407 2.339 20 30 CEEDMP COc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)cc1C#N ZINC000290586844 376844033 /nfs/dbraw/zinc/84/40/33/376844033.db2.gz UZVZTRBPIDQWFV-CZUORRHYSA-N 2 1 287.407 2.339 20 30 CEEDMP COc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)cc1C#N ZINC000290586844 376844037 /nfs/dbraw/zinc/84/40/37/376844037.db2.gz UZVZTRBPIDQWFV-CZUORRHYSA-N 2 1 287.407 2.339 20 30 CEEDMP COc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc1C#N ZINC000290586844 376844040 /nfs/dbraw/zinc/84/40/40/376844040.db2.gz UZVZTRBPIDQWFV-CZUORRHYSA-N 2 1 287.407 2.339 20 30 CEEDMP COc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1C#N ZINC000290586844 376844046 /nfs/dbraw/zinc/84/40/46/376844046.db2.gz UZVZTRBPIDQWFV-CZUORRHYSA-N 2 1 287.407 2.339 20 30 CEEDMP C[C@H]([NH2+]CCc1cccc(C#N)c1)c1c[nH+]ccc1N ZINC000423095809 376988891 /nfs/dbraw/zinc/98/88/91/376988891.db2.gz GHUBIYXVVDBZFR-LBPRGKRZSA-N 2 1 266.348 2.259 20 30 CEEDMP C=CCOc1ccc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)cc1 ZINC000425969914 377390843 /nfs/dbraw/zinc/39/08/43/377390843.db2.gz CESKYDUACCRMGF-IYBDPMFKSA-N 2 1 272.392 2.245 20 30 CEEDMP C=CCOc1ccc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)cc1 ZINC000425969914 377390852 /nfs/dbraw/zinc/39/08/52/377390852.db2.gz CESKYDUACCRMGF-IYBDPMFKSA-N 2 1 272.392 2.245 20 30 CEEDMP C=CCOc1ccc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1 ZINC000425969914 377390859 /nfs/dbraw/zinc/39/08/59/377390859.db2.gz CESKYDUACCRMGF-IYBDPMFKSA-N 2 1 272.392 2.245 20 30 CEEDMP C=CCOc1ccc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1 ZINC000425969914 377390867 /nfs/dbraw/zinc/39/08/67/377390867.db2.gz CESKYDUACCRMGF-IYBDPMFKSA-N 2 1 272.392 2.245 20 30 CEEDMP C=CC[N@H+](C)CCN(CC)CCC[NH+]1CCCCC1 ZINC000429709718 377518797 /nfs/dbraw/zinc/51/87/97/377518797.db2.gz AECUAOSZTOVCEO-UHFFFAOYSA-N 2 1 267.461 2.302 20 30 CEEDMP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000436303706 377823019 /nfs/dbraw/zinc/82/30/19/377823019.db2.gz CIWUOEIDFIHYPG-XGUBFFRZSA-N 2 1 252.402 2.040 20 30 CEEDMP C(#CC[N@H+]1C[C@@H]2CCC[C@@H]2C1)C[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC000472604393 380074356 /nfs/dbraw/zinc/07/43/56/380074356.db2.gz PIFNMSQREDLXFB-XLAORIBOSA-N 2 1 272.436 2.454 20 30 CEEDMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000185770530 262069666 /nfs/dbraw/zinc/06/96/66/262069666.db2.gz HATABNJNSMDAJC-QEJZJMRPSA-N 2 1 260.385 2.500 20 30 CEEDMP C=CCCCC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC ZINC000359101420 394741005 /nfs/dbraw/zinc/74/10/05/394741005.db2.gz IFHVHDRYSWXNJR-MRXNPFEDSA-N 2 1 295.471 2.217 20 30 CEEDMP C=C(C)CNC(=[NH2+])NC[C@@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000104191398 394719422 /nfs/dbraw/zinc/71/94/22/394719422.db2.gz NXKBRVMWXNFPNB-AWEZNQCLSA-N 2 1 290.411 2.205 20 30 CEEDMP C=C(C)C[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000286036105 395004677 /nfs/dbraw/zinc/00/46/77/395004677.db2.gz QPRPCIICQUMHCJ-IBGZPJMESA-N 2 1 299.462 2.455 20 30 CEEDMP C=C(C)C[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000286036105 395004680 /nfs/dbraw/zinc/00/46/80/395004680.db2.gz QPRPCIICQUMHCJ-IBGZPJMESA-N 2 1 299.462 2.455 20 30 CEEDMP C=CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000285864091 394974457 /nfs/dbraw/zinc/97/44/57/394974457.db2.gz IQDNNIWWOQWNNQ-GOSISDBHSA-N 2 1 285.435 2.065 20 30 CEEDMP C=CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000285864091 394974459 /nfs/dbraw/zinc/97/44/59/394974459.db2.gz IQDNNIWWOQWNNQ-GOSISDBHSA-N 2 1 285.435 2.065 20 30 CEEDMP C=CCOc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000427100374 395092178 /nfs/dbraw/zinc/09/21/78/395092178.db2.gz KWDTXUCDPXNZKU-NVXWUHKLSA-N 2 1 272.392 2.435 20 30 CEEDMP C=CCOc1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000427100374 395092182 /nfs/dbraw/zinc/09/21/82/395092182.db2.gz KWDTXUCDPXNZKU-NVXWUHKLSA-N 2 1 272.392 2.435 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCCNc2ccccc21 ZINC000294988926 395281896 /nfs/dbraw/zinc/28/18/96/395281896.db2.gz LEBCKBJEEICFGP-KRWDZBQOSA-N 2 1 271.408 2.478 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCCNc2ccccc21 ZINC000294988926 395281897 /nfs/dbraw/zinc/28/18/97/395281897.db2.gz LEBCKBJEEICFGP-KRWDZBQOSA-N 2 1 271.408 2.478 20 30 CEEDMP C=CC[C@@]1(C(=O)NCC[N@H+](C)C2CCCCC2)CCC[NH2+]1 ZINC000662679641 415929069 /nfs/dbraw/zinc/92/90/69/415929069.db2.gz AOAFHMGIFPBDFD-KRWDZBQOSA-N 2 1 293.455 2.065 20 30 CEEDMP CN1CCN(c2ccc(N[C@@H]3CCC[C@H](C#N)C3)nc2)CC1 ZINC000185790554 262071763 /nfs/dbraw/zinc/07/17/63/262071763.db2.gz VEZSAJOTMAMSJJ-LSDHHAIUSA-N 2 1 299.422 2.328 20 30 CEEDMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCCSCC#N)C1 ZINC000336803433 262395728 /nfs/dbraw/zinc/39/57/28/262395728.db2.gz YLJVRKRPJPAGCO-OAHLLOKOSA-N 2 1 281.469 2.297 20 30 CEEDMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCCSCC#N)C1 ZINC000336803433 262395729 /nfs/dbraw/zinc/39/57/29/262395729.db2.gz YLJVRKRPJPAGCO-OAHLLOKOSA-N 2 1 281.469 2.297 20 30 CEEDMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCCSCC#N)C1 ZINC000336803433 262395730 /nfs/dbraw/zinc/39/57/30/262395730.db2.gz YLJVRKRPJPAGCO-OAHLLOKOSA-N 2 1 281.469 2.297 20 30 CEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])Nc1cc(F)ccc1F ZINC000288694759 263105403 /nfs/dbraw/zinc/10/54/03/263105403.db2.gz KJRUOFBFFCREGZ-NSHDSACASA-N 2 1 282.338 2.176 20 30 CEEDMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccc(C#N)cc2)C1 ZINC000269128665 277158061 /nfs/dbraw/zinc/15/80/61/277158061.db2.gz HGSGXQIEAYYUCW-IAGOWNOFSA-N 2 1 269.392 2.474 20 30 CEEDMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccc(C#N)cc2)C1 ZINC000269128665 277158062 /nfs/dbraw/zinc/15/80/62/277158062.db2.gz HGSGXQIEAYYUCW-IAGOWNOFSA-N 2 1 269.392 2.474 20 30 CEEDMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccc(C#N)cc2)C1 ZINC000269128665 277158063 /nfs/dbraw/zinc/15/80/63/277158063.db2.gz HGSGXQIEAYYUCW-IAGOWNOFSA-N 2 1 269.392 2.474 20 30 CEEDMP C=CCc1cc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)cc(OC)c1O ZINC000582666561 329121945 /nfs/dbraw/zinc/12/19/45/329121945.db2.gz UCXQFMGKDCNCGE-ZDUSSCGKSA-N 2 1 290.407 2.300 20 30 CEEDMP C=CCc1cc(C[N@H+]2CCC[C@@H](C[NH3+])C2)cc(OC)c1O ZINC000582666561 329121947 /nfs/dbraw/zinc/12/19/47/329121947.db2.gz UCXQFMGKDCNCGE-ZDUSSCGKSA-N 2 1 290.407 2.300 20 30 CEEDMP C=C(C)C[NH+]1CCC(N[C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000422972651 330164654 /nfs/dbraw/zinc/16/46/54/330164654.db2.gz ACOWISKDQGRJCP-HOCLYGCPSA-N 2 1 265.445 2.134 20 30 CEEDMP C=CC[C@H](C)[C@@H](C)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423523084 330210085 /nfs/dbraw/zinc/21/00/85/330210085.db2.gz VJTQPDBYSQCAHL-NJINODPHSA-N 2 1 279.472 2.393 20 30 CEEDMP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000424294069 330335681 /nfs/dbraw/zinc/33/56/81/330335681.db2.gz JTCKSUWOTXGSFR-RBZJEDDUSA-N 2 1 264.413 2.040 20 30 CEEDMP C=CC[NH+]1CCC(NCc2cnc(C3CC3)nc2)CC1 ZINC000459408593 331280326 /nfs/dbraw/zinc/28/03/26/331280326.db2.gz XOYZFZCYIRXNSP-UHFFFAOYSA-N 2 1 272.396 2.094 20 30 CEEDMP C=C[C@H]1CCCC[N@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000489514282 332057915 /nfs/dbraw/zinc/05/79/15/332057915.db2.gz QNKPXQQSOHDSSA-INIZCTEOSA-N 2 1 293.455 2.016 20 30 CEEDMP C=C[C@H]1CCCC[N@@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000489514282 332057916 /nfs/dbraw/zinc/05/79/16/332057916.db2.gz QNKPXQQSOHDSSA-INIZCTEOSA-N 2 1 293.455 2.016 20 30 CEEDMP C#CC[NH+](C)CCCN[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000491070392 332145931 /nfs/dbraw/zinc/14/59/31/332145931.db2.gz BHZGPHWXMJBGIP-MJGOQNOKSA-N 2 1 299.462 2.367 20 30 CEEDMP C#CC[N@@H+](C)CCCN[C@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000491070392 332145932 /nfs/dbraw/zinc/14/59/32/332145932.db2.gz BHZGPHWXMJBGIP-MJGOQNOKSA-N 2 1 299.462 2.367 20 30 CEEDMP C#CC[N@H+](C)CCCN[C@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000491070392 332145934 /nfs/dbraw/zinc/14/59/34/332145934.db2.gz BHZGPHWXMJBGIP-MJGOQNOKSA-N 2 1 299.462 2.367 20 30 CEEDMP C#CC[N@@H+](C)CCCNC(=[NH2+])Nc1ccc(C)c(C)c1 ZINC000491744420 332322588 /nfs/dbraw/zinc/32/25/88/332322588.db2.gz ZGDBCAWURVCIOV-UHFFFAOYSA-N 2 1 272.396 2.195 20 30 CEEDMP C=CCOc1cccc(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)c1 ZINC000347040588 526902126 /nfs/dbraw/zinc/90/21/26/526902126.db2.gz KRZOVJPKHASBFS-CJNGLKHVSA-N 2 1 260.381 2.421 20 30 CEEDMP C=CCOc1ccccc1C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000347145717 526933484 /nfs/dbraw/zinc/93/34/84/526933484.db2.gz YBDIDCVRTKLFTE-ZFWWWQNUSA-N 2 1 260.381 2.421 20 30 CEEDMP C=CCOc1ccccc1C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000347145717 526933486 /nfs/dbraw/zinc/93/34/86/526933486.db2.gz YBDIDCVRTKLFTE-ZFWWWQNUSA-N 2 1 260.381 2.421 20 30 CEEDMP C=C[C@H](CO)[NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000353572464 527591934 /nfs/dbraw/zinc/59/19/34/527591934.db2.gz XSWVLKPXKKAWQR-FMKPAKJESA-N 2 1 266.429 2.166 20 30 CEEDMP C#CCOCC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000753768769 574515762 /nfs/dbraw/zinc/51/57/62/574515762.db2.gz MXJLOFXUUNNZIQ-CQSZACIVSA-N 2 1 283.375 2.481 20 30 CEEDMP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001020676090 622824767 /nfs/dbraw/zinc/82/47/67/622824767.db2.gz QZIOWQNCCPIUHA-JYJNAYRXSA-N 2 1 293.455 2.062 20 30 CEEDMP C=CC[C@@H]1CC[NH+]1CC1(C[N@@H+]2CC[C@@H]2CC=C)COC1 ZINC000934462682 624510421 /nfs/dbraw/zinc/51/04/21/624510421.db2.gz ZZKNHYQPZZQXKL-IYBDPMFKSA-N 2 1 276.424 2.304 20 30 CEEDMP C=CC[C@@H]1CC[N@H+]1CC1(C[NH+]2CC[C@@H]2CC=C)COC1 ZINC000934462682 624510425 /nfs/dbraw/zinc/51/04/25/624510425.db2.gz ZZKNHYQPZZQXKL-IYBDPMFKSA-N 2 1 276.424 2.304 20 30 CEEDMP C=CC[C@@H]1CC[N@@H+]1CC1(C[NH+]2CC[C@@H]2CC=C)COC1 ZINC000934462682 624510426 /nfs/dbraw/zinc/51/04/26/624510426.db2.gz ZZKNHYQPZZQXKL-IYBDPMFKSA-N 2 1 276.424 2.304 20 30 CEEDMP C#CC[N@H+](C)CCCN[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000328023275 627741439 /nfs/dbraw/zinc/74/14/39/627741439.db2.gz SXOKCJSRHXVGOK-IBGZPJMESA-N 2 1 299.462 2.196 20 30 CEEDMP C#CC[N@@H+](C)CCCN[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000328023275 627741440 /nfs/dbraw/zinc/74/14/40/627741440.db2.gz SXOKCJSRHXVGOK-IBGZPJMESA-N 2 1 299.462 2.196 20 30 CEEDMP C#CC[NH+](C)CCCN[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000328023275 627741442 /nfs/dbraw/zinc/74/14/42/627741442.db2.gz SXOKCJSRHXVGOK-IBGZPJMESA-N 2 1 299.462 2.196 20 30 CEEDMP C#CC[NH+](C)CCCN[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000328023275 627741443 /nfs/dbraw/zinc/74/14/43/627741443.db2.gz SXOKCJSRHXVGOK-IBGZPJMESA-N 2 1 299.462 2.196 20 30 CEEDMP C#CC[NH+](C)CCCN[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000328245483 627870502 /nfs/dbraw/zinc/87/05/02/627870502.db2.gz HZWBALYZYNWHOZ-PKOBYXMFSA-N 2 1 299.462 2.194 20 30 CEEDMP C#CC[N@@H+](C)CCCN[C@@H]1C[C@H](C)[NH+](Cc2ccccc2)C1 ZINC000328245483 627870508 /nfs/dbraw/zinc/87/05/08/627870508.db2.gz HZWBALYZYNWHOZ-PKOBYXMFSA-N 2 1 299.462 2.194 20 30 CEEDMP C#CC[N@H+](C)CCCN[C@@H]1C[C@H](C)[NH+](Cc2ccccc2)C1 ZINC000328245483 627870512 /nfs/dbraw/zinc/87/05/12/627870512.db2.gz HZWBALYZYNWHOZ-PKOBYXMFSA-N 2 1 299.462 2.194 20 30 CEEDMP CCCNC(=[NH2+])NC[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000162459294 628303501 /nfs/dbraw/zinc/30/35/01/628303501.db2.gz RRICRSXBQRMRJV-KRWDZBQOSA-N 2 1 288.439 2.355 20 30 CEEDMP C=C(C)CNC(=[NH2+])NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000261988477 629411237 /nfs/dbraw/zinc/41/12/37/629411237.db2.gz KYORHBMTJPRUIZ-OKILXGFUSA-N 2 1 280.460 2.223 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000894862494 629702203 /nfs/dbraw/zinc/70/22/03/629702203.db2.gz BUABDYZHVRBFGK-IAGOWNOFSA-N 2 1 256.393 2.335 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000894862494 629702216 /nfs/dbraw/zinc/70/22/16/629702216.db2.gz BUABDYZHVRBFGK-IAGOWNOFSA-N 2 1 256.393 2.335 20 30 CEEDMP C=CC[N@H+](C)C1CCN(C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC000985520643 631117979 /nfs/dbraw/zinc/11/79/79/631117979.db2.gz HQFAHDMYWJJNJM-UHFFFAOYSA-N 2 1 298.390 2.057 20 30 CEEDMP C[NH+]1CCC2(CCC[N@H+]([C@H]3CC[C@@H](C#N)C3)C2)CC1 ZINC000815107118 632960314 /nfs/dbraw/zinc/96/03/14/632960314.db2.gz KHJUTOAQENXATN-CABCVRRESA-N 2 1 261.413 2.486 20 30 CEEDMP Cc1cc(C#N)cc(C)c1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000903452482 635135816 /nfs/dbraw/zinc/13/58/16/635135816.db2.gz NFQUYTCTGDPZRN-WBVHZDCISA-N 2 1 269.392 2.359 20 30 CEEDMP Cc1cc(C#N)cc(C)c1C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000903452482 635135819 /nfs/dbraw/zinc/13/58/19/635135819.db2.gz NFQUYTCTGDPZRN-WBVHZDCISA-N 2 1 269.392 2.359 20 30 CEEDMP N#CC1CCC(C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)CC1 ZINC000903475876 635145255 /nfs/dbraw/zinc/14/52/55/635145255.db2.gz GQRHMQVSDLHQKI-CKUJCDMFSA-N 2 1 261.413 2.390 20 30 CEEDMP N#CC1CCC(C[N@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)CC1 ZINC000903475876 635145258 /nfs/dbraw/zinc/14/52/58/635145258.db2.gz GQRHMQVSDLHQKI-CKUJCDMFSA-N 2 1 261.413 2.390 20 30 CEEDMP N#C[C@H]1CCC[N@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000903563683 635163165 /nfs/dbraw/zinc/16/31/65/635163165.db2.gz ISIASYUXPCVANZ-CYBMUJFWSA-N 2 1 255.365 2.068 20 30 CEEDMP N#C[C@H]1CCC[N@@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000903563683 635163167 /nfs/dbraw/zinc/16/31/67/635163167.db2.gz ISIASYUXPCVANZ-CYBMUJFWSA-N 2 1 255.365 2.068 20 30 CEEDMP C=CC[C@@H]1CCC[N@@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903765680 635258195 /nfs/dbraw/zinc/25/81/95/635258195.db2.gz KAEYMSAXTYNTQJ-CVEARBPZSA-N 2 1 278.440 2.433 20 30 CEEDMP CCO[C@@H]1C[N@@H+](CCCCC2(C#N)CCC2)C[C@H]1C[NH3+] ZINC000903768816 635259420 /nfs/dbraw/zinc/25/94/20/635259420.db2.gz RKOXEAIUGISLIM-HUUCEWRRSA-N 2 1 279.428 2.146 20 30 CEEDMP C=CCCC[N@H+](CC)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903850341 635304194 /nfs/dbraw/zinc/30/41/94/635304194.db2.gz ORIVEUXHJRSZKK-LSDHHAIUSA-N 2 1 252.402 2.043 20 30 CEEDMP CC(C)([NH2+]C[C@H]([NH3+])CC(F)F)c1cccc(C#N)c1 ZINC000903933374 635358249 /nfs/dbraw/zinc/35/82/49/635358249.db2.gz PRVDIZJFPXLMPN-GFCCVEGCSA-N 2 1 267.323 2.365 20 30 CEEDMP CCCCCCC[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000842478226 640078538 /nfs/dbraw/zinc/07/85/38/640078538.db2.gz FUUSVAZEBNKQTD-HNNXBMFYSA-N 2 1 279.432 2.344 20 30 CEEDMP C#C[C@H]1CCC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000847036042 641540720 /nfs/dbraw/zinc/54/07/20/641540720.db2.gz OPJYLWGBMMOOGI-KRWDZBQOSA-N 2 1 298.430 2.364 20 30 CEEDMP C#C[C@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000847036042 641540726 /nfs/dbraw/zinc/54/07/26/641540726.db2.gz OPJYLWGBMMOOGI-KRWDZBQOSA-N 2 1 298.430 2.364 20 30 CEEDMP CCc1ccc([C@@H](CNC(NC)=[NH+]C)[NH+](CC)CC)cc1 ZINC000849103075 642262478 /nfs/dbraw/zinc/26/24/78/642262478.db2.gz FLWBUIYYJCIQOQ-MRXNPFEDSA-N 2 1 290.455 2.427 20 30 CEEDMP C#CCCCCCC[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000877608666 650812405 /nfs/dbraw/zinc/81/24/05/650812405.db2.gz YGKDIEUOHPVYDT-UHFFFAOYSA-N 2 1 278.440 2.367 20 30 CEEDMP C#CCOCC[NH+]1CCC(CC[N@H+](CC)CC2CC2)CC1 ZINC000851889285 643210710 /nfs/dbraw/zinc/21/07/10/643210710.db2.gz CIJLTLJADYEMBP-UHFFFAOYSA-N 2 1 292.467 2.470 20 30 CEEDMP C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H](C[NH+](C)C)OCC)C1 ZINC000922755809 643246501 /nfs/dbraw/zinc/24/65/01/643246501.db2.gz IGXBWYVOALGGNV-ILXRZTDVSA-N 2 1 254.418 2.288 20 30 CEEDMP C[C@@H]1CC2(C[N@H+]1C[C@@H](O)c1ccc(C#N)cc1)CC[NH2+]CC2 ZINC000923382576 643688102 /nfs/dbraw/zinc/68/81/02/643688102.db2.gz DDRHHFZJVDPCIL-RHSMWYFYSA-N 2 1 299.418 2.056 20 30 CEEDMP COc1ccc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc1C#N ZINC000839182276 644181107 /nfs/dbraw/zinc/18/11/07/644181107.db2.gz MEUQEBDWQBYISM-CQSZACIVSA-N 2 1 287.407 2.388 20 30 CEEDMP C[NH+]1CCN(c2ccc(C=[NH+]OCC(F)F)cc2)CC1 ZINC000758911339 644967701 /nfs/dbraw/zinc/96/77/01/644967701.db2.gz NCONZWXYKRDGIB-UHFFFAOYSA-N 2 1 283.322 2.054 20 30 CEEDMP CN(CCC#N)c1ccc(C[NH2+]CCc2c[nH+]cn2C)cc1 ZINC000857783841 644968665 /nfs/dbraw/zinc/96/86/65/644968665.db2.gz FDWVWKPXZHLAGI-UHFFFAOYSA-N 2 1 297.406 2.102 20 30 CEEDMP N#Cc1ccc(CC[N@@H+]2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000872149772 649297672 /nfs/dbraw/zinc/29/76/72/649297672.db2.gz QGTLRLBOUHFCNH-KBPBESRZSA-N 2 1 297.324 2.170 20 30 CEEDMP N#Cc1ccc(CC[N@H+]2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000872149772 649297675 /nfs/dbraw/zinc/29/76/75/649297675.db2.gz QGTLRLBOUHFCNH-KBPBESRZSA-N 2 1 297.324 2.170 20 30 CEEDMP Cc1ccc(CC#N)c(N2CCC(C[NH+](C)C)CC2)[nH+]1 ZINC001165045722 721949646 /nfs/dbraw/zinc/94/96/46/721949646.db2.gz YBSSZGRTNLQMHH-UHFFFAOYSA-N 2 1 272.396 2.234 20 30 CEEDMP C=CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001088336671 806134428 /nfs/dbraw/zinc/13/44/28/806134428.db2.gz JKBXXCVCRZTJON-CVEARBPZSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)C[N@H+](C)C[C@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001266466091 802613718 /nfs/dbraw/zinc/61/37/18/802613718.db2.gz JBJBQQKYTWFEPK-CVEARBPZSA-N 2 1 295.471 2.073 20 30 CEEDMP C=C(C)C[N@H+](C)CC1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001267746278 803701558 /nfs/dbraw/zinc/70/15/58/803701558.db2.gz TWKPMXHWKYADMY-UHFFFAOYSA-N 2 1 295.471 2.075 20 30 CEEDMP C[C@H]1CCCC[N@H+]1CCCNc1cc[nH+]c(CC#N)c1 ZINC001167754250 803841087 /nfs/dbraw/zinc/84/10/87/803841087.db2.gz PUQRYHNXWROHJG-AWEZNQCLSA-N 2 1 272.396 2.246 20 30 CEEDMP C[N@@H+]1CC[C@@H]2C[NH+](CC#Cc3ccc(F)cc3)C[C@@H]2C1 ZINC000931437403 803964351 /nfs/dbraw/zinc/96/43/51/803964351.db2.gz FXILXPAJFGYSPZ-CVEARBPZSA-N 2 1 272.367 2.061 20 30 CEEDMP C[N@H+]1CC[C@@H]2C[NH+](CC#Cc3ccc(F)cc3)C[C@@H]2C1 ZINC000931437403 803964358 /nfs/dbraw/zinc/96/43/58/803964358.db2.gz FXILXPAJFGYSPZ-CVEARBPZSA-N 2 1 272.367 2.061 20 30 CEEDMP C[NH+]1CC[C@@H]2C[N@H+](CC#Cc3ccc(F)cc3)C[C@@H]2C1 ZINC000931437403 803964367 /nfs/dbraw/zinc/96/43/67/803964367.db2.gz FXILXPAJFGYSPZ-CVEARBPZSA-N 2 1 272.367 2.061 20 30 CEEDMP C[NH+]1CC[C@@H]2C[N@@H+](CC#Cc3ccc(F)cc3)C[C@@H]2C1 ZINC000931437403 803964374 /nfs/dbraw/zinc/96/43/74/803964374.db2.gz FXILXPAJFGYSPZ-CVEARBPZSA-N 2 1 272.367 2.061 20 30 CEEDMP C=C(C)C[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001027917577 804341164 /nfs/dbraw/zinc/34/11/64/804341164.db2.gz CDGGDGDDQMAPRJ-HZPDHXFCSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CCC ZINC001027917577 804341174 /nfs/dbraw/zinc/34/11/74/804341174.db2.gz CDGGDGDDQMAPRJ-HZPDHXFCSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CCC ZINC001027917577 804341183 /nfs/dbraw/zinc/34/11/83/804341183.db2.gz CDGGDGDDQMAPRJ-HZPDHXFCSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001027918146 804341655 /nfs/dbraw/zinc/34/16/55/804341655.db2.gz KQUPUYDNVNKYPO-HOTGVXAUSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001027918146 804341661 /nfs/dbraw/zinc/34/16/61/804341661.db2.gz KQUPUYDNVNKYPO-HOTGVXAUSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001027918146 804341670 /nfs/dbraw/zinc/34/16/70/804341670.db2.gz KQUPUYDNVNKYPO-HOTGVXAUSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001027971718 804372761 /nfs/dbraw/zinc/37/27/61/804372761.db2.gz KRJAODJHCFGKMG-HOTGVXAUSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001027971718 804372765 /nfs/dbraw/zinc/37/27/65/804372765.db2.gz KRJAODJHCFGKMG-HOTGVXAUSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001027971718 804372770 /nfs/dbraw/zinc/37/27/70/804372770.db2.gz KRJAODJHCFGKMG-HOTGVXAUSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001027971718 804372778 /nfs/dbraw/zinc/37/27/78/804372778.db2.gz KRJAODJHCFGKMG-HOTGVXAUSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCC[C@@H](C)[NH+]1CC[C@H](N(C)C(=O)CC[N@H+](C)CC)C1 ZINC001269287831 805113792 /nfs/dbraw/zinc/11/37/92/805113792.db2.gz NIUCVMFNIROROJ-CVEARBPZSA-N 2 1 295.471 2.216 20 30 CEEDMP C=CCC[C@@H](C)[N@@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)CC)C1 ZINC001269287831 805113796 /nfs/dbraw/zinc/11/37/96/805113796.db2.gz NIUCVMFNIROROJ-CVEARBPZSA-N 2 1 295.471 2.216 20 30 CEEDMP C=CCC[C@@H](C)[N@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)CC)C1 ZINC001269287831 805113801 /nfs/dbraw/zinc/11/38/01/805113801.db2.gz NIUCVMFNIROROJ-CVEARBPZSA-N 2 1 295.471 2.216 20 30 CEEDMP C=CCCC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CCC)[C@H](C)C1 ZINC001269980589 805300832 /nfs/dbraw/zinc/30/08/32/805300832.db2.gz HECFQRJVZYDBLC-CVEARBPZSA-N 2 1 295.471 2.264 20 30 CEEDMP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001171546575 815188298 /nfs/dbraw/zinc/18/82/98/815188298.db2.gz LIYDCMJKFUWVMW-HZPDHXFCSA-N 2 1 295.471 2.311 20 30 CEEDMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC(S)CC1)C2 ZINC001172124580 815285574 /nfs/dbraw/zinc/28/55/74/815285574.db2.gz LPMUYARCMWGFPW-CLLJXQQHSA-N 2 1 254.443 2.396 20 30 CEEDMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC(S)CC1)C2 ZINC001172124580 815285578 /nfs/dbraw/zinc/28/55/78/815285578.db2.gz LPMUYARCMWGFPW-CLLJXQQHSA-N 2 1 254.443 2.396 20 30 CEEDMP C=CC[N@H+]1CCCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001034308411 809575494 /nfs/dbraw/zinc/57/54/94/809575494.db2.gz BGQLMOLBBPZPJG-HNNXBMFYSA-N 2 1 298.390 2.105 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+]Cc1cncc2ccccc21 ZINC000381370827 810378250 /nfs/dbraw/zinc/37/82/50/810378250.db2.gz IROUQWYOGSLRLY-UHFFFAOYSA-N 2 1 267.376 2.280 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1cncc2ccccc21 ZINC000381370827 810378254 /nfs/dbraw/zinc/37/82/54/810378254.db2.gz IROUQWYOGSLRLY-UHFFFAOYSA-N 2 1 267.376 2.280 20 30 CEEDMP C=CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001015971601 810382129 /nfs/dbraw/zinc/38/21/29/810382129.db2.gz BUVHHSYOLZYUCD-CVEARBPZSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001015971601 810382134 /nfs/dbraw/zinc/38/21/34/810382134.db2.gz BUVHHSYOLZYUCD-CVEARBPZSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001015971601 810382142 /nfs/dbraw/zinc/38/21/42/810382142.db2.gz BUVHHSYOLZYUCD-CVEARBPZSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCCC[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC001122002869 815376118 /nfs/dbraw/zinc/37/61/18/815376118.db2.gz LNKNIBIVZGMAPT-KFWWJZLASA-N 2 1 281.444 2.001 20 30 CEEDMP C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc2c[nH+]cn2c1 ZINC001085724909 810889004 /nfs/dbraw/zinc/88/90/04/810889004.db2.gz IWCIBQWWLCTCEP-INIZCTEOSA-N 2 1 298.390 2.057 20 30 CEEDMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cccc(C#N)c1)C2 ZINC001169081636 811378525 /nfs/dbraw/zinc/37/85/25/811378525.db2.gz UYMONNIDVRUMBI-MUJYYYPQSA-N 2 1 255.365 2.273 20 30 CEEDMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cccc(C#N)c1)C2 ZINC001169081636 811378532 /nfs/dbraw/zinc/37/85/32/811378532.db2.gz UYMONNIDVRUMBI-MUJYYYPQSA-N 2 1 255.365 2.273 20 30 CEEDMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1[C@@H]3CC[C@H]1C[C@H](C#N)C3)C2 ZINC001169144119 811410262 /nfs/dbraw/zinc/41/02/62/811410262.db2.gz IWCKAGZOFPAUAX-ZUBBGQSFSA-N 2 1 259.397 2.378 20 30 CEEDMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1[C@@H]3CC[C@H]1C[C@H](C#N)C3)C2 ZINC001169144119 811410266 /nfs/dbraw/zinc/41/02/66/811410266.db2.gz IWCKAGZOFPAUAX-ZUBBGQSFSA-N 2 1 259.397 2.378 20 30 CEEDMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1[C@@H]3CC[C@H]1C[C@H](C#N)C3)C2 ZINC001169144119 811410267 /nfs/dbraw/zinc/41/02/67/811410267.db2.gz IWCKAGZOFPAUAX-ZUBBGQSFSA-N 2 1 259.397 2.378 20 30 CEEDMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1[C@@H]3CC[C@H]1C[C@H](C#N)C3)C2 ZINC001169144119 811410272 /nfs/dbraw/zinc/41/02/72/811410272.db2.gz IWCKAGZOFPAUAX-ZUBBGQSFSA-N 2 1 259.397 2.378 20 30 CEEDMP C#CC[N@@H+](C)CCCNc1cc[nH+]c2ccccc12 ZINC000392783732 813307047 /nfs/dbraw/zinc/30/70/47/813307047.db2.gz GYDUKILWLYFIDL-UHFFFAOYSA-N 2 1 253.349 2.024 20 30 CEEDMP C=CCCC[NH2+]CCNC(=O)CCn1cc[nH+]c1C(C)C ZINC001134726403 813316618 /nfs/dbraw/zinc/31/66/18/813316618.db2.gz VNYAJWLFEVSFIB-UHFFFAOYSA-N 2 1 292.427 2.069 20 30 CEEDMP C=CC[N@@H+]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[C@@H]1C ZINC001071652894 813460926 /nfs/dbraw/zinc/46/09/26/813460926.db2.gz QCMMFOLLMOJUET-ZFWWWQNUSA-N 2 1 298.390 2.103 20 30 CEEDMP C#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@H+](C)CCCCCC ZINC001135691716 813504823 /nfs/dbraw/zinc/50/48/23/813504823.db2.gz YWPYZSOSNOROAJ-HZPDHXFCSA-N 2 1 295.471 2.005 20 30 CEEDMP C=CC[NH2+][C@H]1CCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)[C@H]1C ZINC001074686194 813842736 /nfs/dbraw/zinc/84/27/36/813842736.db2.gz YCNMJEGOGWESGT-JYJNAYRXSA-N 2 1 293.455 2.014 20 30 CEEDMP C=CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001171119369 813897870 /nfs/dbraw/zinc/89/78/70/813897870.db2.gz IVSMJNKFOJPGDE-HOTGVXAUSA-N 2 1 295.471 2.311 20 30 CEEDMP C=C(C)CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001146595222 814298808 /nfs/dbraw/zinc/29/88/08/814298808.db2.gz XQZULDLBSBNQSG-HUUCEWRRSA-N 2 1 283.460 2.166 20 30 CEEDMP CC[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@H](C#N)C3)cc2)CC1 ZINC001140306450 816227303 /nfs/dbraw/zinc/22/73/03/816227303.db2.gz SELILXPGZIABDB-QGZVFWFLSA-N 2 1 298.434 2.174 20 30 CEEDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H](C#N)C3)cc2)CC1 ZINC001140306450 816227304 /nfs/dbraw/zinc/22/73/04/816227304.db2.gz SELILXPGZIABDB-QGZVFWFLSA-N 2 1 298.434 2.174 20 30 CEEDMP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)C[N@H+](C)CCC ZINC001176284782 816377132 /nfs/dbraw/zinc/37/71/32/816377132.db2.gz KFXQMBCINZVKAB-HNNXBMFYSA-N 2 1 283.460 2.169 20 30 CEEDMP C[N@H+]1CC[C@@H]2C[NH+](Cc3c[nH]c4cc(C#N)ccc34)C[C@@H]2C1 ZINC001142917133 816756432 /nfs/dbraw/zinc/75/64/32/816756432.db2.gz SXNOKUOFQURDGU-ZBFHGGJFSA-N 2 1 294.402 2.423 20 30 CEEDMP C[NH+]1CC[C@@H]2C[N@H+](Cc3c[nH]c4cc(C#N)ccc34)C[C@@H]2C1 ZINC001142917133 816756440 /nfs/dbraw/zinc/75/64/40/816756440.db2.gz SXNOKUOFQURDGU-ZBFHGGJFSA-N 2 1 294.402 2.423 20 30 CEEDMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3c[nH]c4cc(C#N)ccc34)C[C@@H]2C1 ZINC001142917133 816756445 /nfs/dbraw/zinc/75/64/45/816756445.db2.gz SXNOKUOFQURDGU-ZBFHGGJFSA-N 2 1 294.402 2.423 20 30 CEEDMP C=C(C)C[NH2+]CCCCCCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001178826992 816799149 /nfs/dbraw/zinc/79/91/49/816799149.db2.gz CAQBVQPZMPINGN-MRXNPFEDSA-N 2 1 295.471 2.313 20 30 CEEDMP C=C(C)C[NH2+]CCCCCCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001179585467 816884915 /nfs/dbraw/zinc/88/49/15/816884915.db2.gz IMLCNZIKZRPJCM-HZPDHXFCSA-N 2 1 295.471 2.026 20 30 CEEDMP C=C(C)[C@@H](CO)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000677047887 539183065 /nfs/dbraw/zinc/18/30/65/539183065.db2.gz JAGQGRNBSDRMDD-QZTJIDSGSA-N 2 1 288.435 2.377 20 30 CEEDMP C=C(C)[C@@H](CO)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000677047887 539183067 /nfs/dbraw/zinc/18/30/67/539183067.db2.gz JAGQGRNBSDRMDD-QZTJIDSGSA-N 2 1 288.435 2.377 20 30 CEEDMP C=C(C)[C@@H](CO)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000677047887 539183068 /nfs/dbraw/zinc/18/30/68/539183068.db2.gz JAGQGRNBSDRMDD-QZTJIDSGSA-N 2 1 288.435 2.377 20 30 CEEDMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000333281204 539322768 /nfs/dbraw/zinc/32/27/68/539322768.db2.gz MLRNCKFXOTVOAL-KBXCAEBGSA-N 2 1 298.434 2.257 20 30 CEEDMP CNC(NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)=[NH+]C ZINC000057887889 343640449 /nfs/dbraw/zinc/64/04/49/343640449.db2.gz NSDWSTMUMBZKKB-CQSZACIVSA-N 2 1 288.439 2.356 20 30 CEEDMP CC[C@H]1C[N@H+](Cc2ccc(C#N)c(OC)c2)CC[C@H]1[NH3+] ZINC000300203551 344698749 /nfs/dbraw/zinc/69/87/49/344698749.db2.gz IEQNZTXKQCSHEQ-DZGCQCFKSA-N 2 1 273.380 2.126 20 30 CEEDMP CC[C@H]1C[N@@H+](Cc2ccc(C#N)c(OC)c2)CC[C@H]1[NH3+] ZINC000300203551 344698752 /nfs/dbraw/zinc/69/87/52/344698752.db2.gz IEQNZTXKQCSHEQ-DZGCQCFKSA-N 2 1 273.380 2.126 20 30 CEEDMP CC[NH+](CC)C[C@H](C)[NH2+][C@H](C)CC1(C#N)CCOCC1 ZINC000602549614 347072294 /nfs/dbraw/zinc/07/22/94/347072294.db2.gz IRHZLKRMJUMDIF-CABCVRRESA-N 2 1 281.444 2.405 20 30 CEEDMP C[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccc(C#N)cc1F ZINC000591572798 345265428 /nfs/dbraw/zinc/26/54/28/345265428.db2.gz SDHKMTAILGNVAX-YPMHNXCESA-N 2 1 261.344 2.490 20 30 CEEDMP N#Cc1cccc(C[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c1 ZINC000593314279 345465546 /nfs/dbraw/zinc/46/55/46/345465546.db2.gz BOFKHBVYSJWTDX-RCCFBDPRSA-N 2 1 299.418 2.277 20 30 CEEDMP C[NH+](C)CCC[C@H]1C[N@@H+](CC(C)(C)CCC#N)CCO1 ZINC000597247905 346161660 /nfs/dbraw/zinc/16/16/60/346161660.db2.gz IMQAKILSIGJZAI-HNNXBMFYSA-N 2 1 281.444 2.359 20 30 CEEDMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H](O)CC(C)(C)C#N ZINC000598595514 346380600 /nfs/dbraw/zinc/38/06/00/346380600.db2.gz OUYUAISOMOBMRC-LSDHHAIUSA-N 2 1 281.444 2.093 20 30 CEEDMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@H](O)CC(C)(C)C#N ZINC000598595514 346380603 /nfs/dbraw/zinc/38/06/03/346380603.db2.gz OUYUAISOMOBMRC-LSDHHAIUSA-N 2 1 281.444 2.093 20 30 CEEDMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@H](O)CC(C)(C)C#N ZINC000598595514 346380606 /nfs/dbraw/zinc/38/06/06/346380606.db2.gz OUYUAISOMOBMRC-LSDHHAIUSA-N 2 1 281.444 2.093 20 30 CEEDMP Cc1ccc(C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)cc1C#N ZINC000599452912 346523342 /nfs/dbraw/zinc/52/33/42/346523342.db2.gz YSYOOTZVMAQPOA-UHFFFAOYSA-N 2 1 299.418 2.163 20 30 CEEDMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)cc1C#N ZINC000599452912 346523345 /nfs/dbraw/zinc/52/33/45/346523345.db2.gz YSYOOTZVMAQPOA-UHFFFAOYSA-N 2 1 299.418 2.163 20 30 CEEDMP C[C@H]1CCC[N@@H+](CCCC[NH2+]C[C@@H](O)CC2(C#N)CC2)C1 ZINC000600716451 346677224 /nfs/dbraw/zinc/67/72/24/346677224.db2.gz LMJFGIZXGMRSAO-HOTGVXAUSA-N 2 1 293.455 2.143 20 30 CEEDMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600718364 346677243 /nfs/dbraw/zinc/67/72/43/346677243.db2.gz WWQBHTLFFWPUGS-HZPDHXFCSA-N 2 1 293.455 2.285 20 30 CEEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C[C@H](C)CCC#N ZINC000602657980 347127607 /nfs/dbraw/zinc/12/76/07/347127607.db2.gz VSWGJRPUIOOLQF-IAGOWNOFSA-N 2 1 294.487 2.274 20 30 CEEDMP C[NH+](C)CCOc1ccc(C[NH2+]CC(C)(C)C#N)cc1 ZINC000612584875 347904567 /nfs/dbraw/zinc/90/45/67/347904567.db2.gz FZUHILJVXSHGAS-UHFFFAOYSA-N 2 1 275.396 2.266 20 30 CEEDMP N#Cc1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000130353164 365947506 /nfs/dbraw/zinc/94/75/06/365947506.db2.gz RJKLFICBDQCADD-KRWDZBQOSA-N 2 1 299.418 2.149 20 30 CEEDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cccc(C#N)c1 ZINC000237547701 370732357 /nfs/dbraw/zinc/73/23/57/370732357.db2.gz PNONPNSZHSJJJR-CYBMUJFWSA-N 2 1 268.364 2.489 20 30 CEEDMP N#Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1F ZINC000335028616 364373556 /nfs/dbraw/zinc/37/35/56/364373556.db2.gz XAOBPYVFMBNKTA-PBWFPOADSA-N 2 1 259.328 2.070 20 30 CEEDMP C=C(Br)CN1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158556975 366858685 /nfs/dbraw/zinc/85/86/85/366858685.db2.gz MBPFFGVDAQJKFX-NEPJUHHUSA-N 2 1 273.218 2.311 20 30 CEEDMP C=CCCCC[NH+]1CCC(CO)([NH2+]C(C)C)CC1 ZINC000582428496 366912031 /nfs/dbraw/zinc/91/20/31/366912031.db2.gz PTTBGDPQUPNRKK-UHFFFAOYSA-N 2 1 254.418 2.168 20 30 CEEDMP C[N@H+](CC[C@H]1CCC[NH+]1C)Cc1ccc(C#N)cc1 ZINC000163501407 367245039 /nfs/dbraw/zinc/24/50/39/367245039.db2.gz MGSSCKHFQNRAKJ-MRXNPFEDSA-N 2 1 257.381 2.474 20 30 CEEDMP C[N@@H+](CC[C@H]1CCC[NH+]1C)Cc1ccc(C#N)cc1 ZINC000163501407 367245042 /nfs/dbraw/zinc/24/50/42/367245042.db2.gz MGSSCKHFQNRAKJ-MRXNPFEDSA-N 2 1 257.381 2.474 20 30 CEEDMP C[NH+](CC[C@H]1CCC[N@@H+]1C)Cc1ccc(C#N)cc1 ZINC000163501407 367245047 /nfs/dbraw/zinc/24/50/47/367245047.db2.gz MGSSCKHFQNRAKJ-MRXNPFEDSA-N 2 1 257.381 2.474 20 30 CEEDMP C[NH+](CC[C@H]1CCC[N@H+]1C)Cc1ccc(C#N)cc1 ZINC000163501407 367245052 /nfs/dbraw/zinc/24/50/52/367245052.db2.gz MGSSCKHFQNRAKJ-MRXNPFEDSA-N 2 1 257.381 2.474 20 30 CEEDMP C=CCN(CC=C)C(=O)[C@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000173617038 367927454 /nfs/dbraw/zinc/92/74/54/367927454.db2.gz IABBDXQYMVMCOT-HNNXBMFYSA-N 2 1 293.455 2.038 20 30 CEEDMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1cccc(C#N)c1 ZINC000343632770 367928616 /nfs/dbraw/zinc/92/86/16/367928616.db2.gz ZMHYDKLVDJMQPY-CZUORRHYSA-N 2 1 257.381 2.031 20 30 CEEDMP C=CCOc1cccc(C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)c1 ZINC000346690731 368773008 /nfs/dbraw/zinc/77/30/08/368773008.db2.gz UQUBAHPXYQPMSJ-DZGCQCFKSA-N 2 1 260.381 2.421 20 30 CEEDMP C=CCOc1ccc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)cc1 ZINC000634999881 369035235 /nfs/dbraw/zinc/03/52/35/369035235.db2.gz BOVWBLRZKKQRPG-DZGCQCFKSA-N 2 1 260.381 2.278 20 30 CEEDMP C=CCC[C@H](O)C[NH+](C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000351412173 369634881 /nfs/dbraw/zinc/63/48/81/369634881.db2.gz LPOCJMUKIDBRFS-KKUMJFAQSA-N 2 1 254.418 2.118 20 30 CEEDMP C=CCC[C@H](O)C[N@@H+](C)[C@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000351412173 369634884 /nfs/dbraw/zinc/63/48/84/369634884.db2.gz LPOCJMUKIDBRFS-KKUMJFAQSA-N 2 1 254.418 2.118 20 30 CEEDMP C=CCC[C@H](O)C[N@H+](C)[C@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000351412173 369634886 /nfs/dbraw/zinc/63/48/86/369634886.db2.gz LPOCJMUKIDBRFS-KKUMJFAQSA-N 2 1 254.418 2.118 20 30 CEEDMP C[N@H+]1CCCC[C@H]1CCN1CCC(F)(C#N)CC1 ZINC000352484252 369751247 /nfs/dbraw/zinc/75/12/47/369751247.db2.gz NCRRZIPROGYMQB-ZDUSSCGKSA-N 2 1 253.365 2.188 20 30 CEEDMP N#Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000228535532 370404909 /nfs/dbraw/zinc/40/49/09/370404909.db2.gz LUWODUSFCORUMP-ARFHVFGLSA-N 2 1 255.365 2.117 20 30 CEEDMP C=CC[NH+]1CCC([NH2+]C[C@H](OC)[C@H](C)CC)CC1 ZINC000638524382 370590420 /nfs/dbraw/zinc/59/04/20/370590420.db2.gz NAVAZOVHOWLKLS-HIFRSBDPSA-N 2 1 254.418 2.288 20 30 CEEDMP C=CCOc1ccc(C[N@@H+]2CC[C@](C)(C[NH3+])C2)cc1OC ZINC000261807933 371737418 /nfs/dbraw/zinc/73/74/18/371737418.db2.gz OOTZJKOHQHQPOE-QGZVFWFLSA-N 2 1 290.407 2.431 20 30 CEEDMP C=CCOc1ccc(C[N@H+]2CC[C@](C)(C[NH3+])C2)cc1OC ZINC000261807933 371737423 /nfs/dbraw/zinc/73/74/23/371737423.db2.gz OOTZJKOHQHQPOE-QGZVFWFLSA-N 2 1 290.407 2.431 20 30 CEEDMP C[NH+]=C(NCc1ccco1)NC[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000264045830 371957975 /nfs/dbraw/zinc/95/79/75/371957975.db2.gz KQOPZOAXKSDOLN-UONOGXRCSA-N 2 1 292.427 2.065 20 30 CEEDMP N#Cc1cccc(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@@H]3C2)c1 ZINC000369598944 373466015 /nfs/dbraw/zinc/46/60/15/373466015.db2.gz GKZUDFYOXOIQLS-KURKYZTESA-N 2 1 281.403 2.474 20 30 CEEDMP N#Cc1cccc(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@@H]3C2)c1 ZINC000369598944 373466019 /nfs/dbraw/zinc/46/60/19/373466019.db2.gz GKZUDFYOXOIQLS-KURKYZTESA-N 2 1 281.403 2.474 20 30 CEEDMP N#Cc1cccc(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)c1 ZINC000369598944 373466024 /nfs/dbraw/zinc/46/60/24/373466024.db2.gz GKZUDFYOXOIQLS-KURKYZTESA-N 2 1 281.403 2.474 20 30 CEEDMP N#Cc1cccc(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)c1 ZINC000369598944 373466028 /nfs/dbraw/zinc/46/60/28/373466028.db2.gz GKZUDFYOXOIQLS-KURKYZTESA-N 2 1 281.403 2.474 20 30 CEEDMP C[NH+](C)[C@H]1CCC[N@H+](C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000277283218 374463223 /nfs/dbraw/zinc/46/32/23/374463223.db2.gz SLLLQEIWBKELJP-DLBZAZTESA-N 2 1 287.407 2.008 20 30 CEEDMP C[NH+](C)[C@H]1CCC[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000277283218 374463230 /nfs/dbraw/zinc/46/32/30/374463230.db2.gz SLLLQEIWBKELJP-DLBZAZTESA-N 2 1 287.407 2.008 20 30 CEEDMP C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000280772324 375316795 /nfs/dbraw/zinc/31/67/95/375316795.db2.gz ZSMBBARDILYNRT-CZUORRHYSA-N 2 1 275.396 2.218 20 30 CEEDMP C(#CC[N@H+]1C[C@@H]2CCC[C@@H]2C1)C[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC000472604385 380074412 /nfs/dbraw/zinc/07/44/12/380074412.db2.gz PIFNMSQREDLXFB-TVFCKZIOSA-N 2 1 272.436 2.454 20 30 CEEDMP C=CCCCC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000530889781 380204961 /nfs/dbraw/zinc/20/49/61/380204961.db2.gz SSVLOCMTUIKBPC-UHFFFAOYSA-N 2 1 288.395 2.128 20 30 CEEDMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(C#N)c(F)c1 ZINC000530407444 380201055 /nfs/dbraw/zinc/20/10/55/380201055.db2.gz IXQAYKUVHDHNND-LLVKDONJSA-N 2 1 272.327 2.324 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2c[nH]c3nccnc23)CC1 ZINC000329567006 394573286 /nfs/dbraw/zinc/57/32/86/394573286.db2.gz KZIQZIBIHPBCTF-UHFFFAOYSA-N 2 1 285.395 2.040 20 30 CEEDMP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423442095 394922250 /nfs/dbraw/zinc/92/22/50/394922250.db2.gz UUJWLDMMZDRQGS-TWMKSMIVSA-N 2 1 267.376 2.133 20 30 CEEDMP C=CCOc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000427100376 395092327 /nfs/dbraw/zinc/09/23/27/395092327.db2.gz KWDTXUCDPXNZKU-WBVHZDCISA-N 2 1 272.392 2.435 20 30 CEEDMP C=CCOc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000427100376 395092330 /nfs/dbraw/zinc/09/23/30/395092330.db2.gz KWDTXUCDPXNZKU-WBVHZDCISA-N 2 1 272.392 2.435 20 30 CEEDMP C=CCOc1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000346840163 395109395 /nfs/dbraw/zinc/10/93/95/395109395.db2.gz ZSWXORRRHAXNKF-XIRDDKMYSA-N 2 1 272.392 2.421 20 30 CEEDMP C#CCC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000377319796 395136569 /nfs/dbraw/zinc/13/65/69/395136569.db2.gz ZKXGJUZDLIEAIM-ZWKOTPCHSA-N 2 1 268.404 2.464 20 30 CEEDMP C#CCC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000377319796 395136571 /nfs/dbraw/zinc/13/65/71/395136571.db2.gz ZKXGJUZDLIEAIM-ZWKOTPCHSA-N 2 1 268.404 2.464 20 30 CEEDMP C#CCC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000377319796 395136574 /nfs/dbraw/zinc/13/65/74/395136574.db2.gz ZKXGJUZDLIEAIM-ZWKOTPCHSA-N 2 1 268.404 2.464 20 30 CEEDMP N#Cc1ccc(C[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)nc1 ZINC000566415081 395519966 /nfs/dbraw/zinc/51/99/66/395519966.db2.gz YBYLGFQOIOHQRG-CYBMUJFWSA-N 2 1 267.336 2.056 20 30 CEEDMP N#Cc1ccc(CN2CCC[C@@H](c3ncc[nH]3)C2)nc1 ZINC000566415081 395519969 /nfs/dbraw/zinc/51/99/69/395519969.db2.gz YBYLGFQOIOHQRG-CYBMUJFWSA-N 2 1 267.336 2.056 20 30 CEEDMP C=CCC1(C[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)CCCC1 ZINC000570795561 395583468 /nfs/dbraw/zinc/58/34/68/395583468.db2.gz XUAUWWYUWIEXIH-HNNXBMFYSA-N 2 1 266.429 2.168 20 30 CEEDMP C=CCC1(C[NH2+]C[C@H](O)C[N@H+](C)C2CC2)CCCC1 ZINC000570795561 395583470 /nfs/dbraw/zinc/58/34/70/395583470.db2.gz XUAUWWYUWIEXIH-HNNXBMFYSA-N 2 1 266.429 2.168 20 30 CEEDMP C#CC[N@@H+](CCCc1c[nH+]cn1C)Cc1ccccc1 ZINC000491475338 395669941 /nfs/dbraw/zinc/66/99/41/395669941.db2.gz VUYBTCIOSSGCDV-UHFFFAOYSA-N 2 1 267.376 2.488 20 30 CEEDMP C#CC[N@H+](CCCc1c[nH+]cn1C)Cc1ccccc1 ZINC000491475338 395669942 /nfs/dbraw/zinc/66/99/42/395669942.db2.gz VUYBTCIOSSGCDV-UHFFFAOYSA-N 2 1 267.376 2.488 20 30 CEEDMP N#Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)cc1 ZINC000363117381 156001052 /nfs/dbraw/zinc/00/10/52/156001052.db2.gz HEOYGTOWZMCNRE-KZNAEPCWSA-N 2 1 281.403 2.474 20 30 CEEDMP N#Cc1ccc(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)cc1 ZINC000363117381 156001053 /nfs/dbraw/zinc/00/10/53/156001053.db2.gz HEOYGTOWZMCNRE-KZNAEPCWSA-N 2 1 281.403 2.474 20 30 CEEDMP N#Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)cc1 ZINC000363117381 156001054 /nfs/dbraw/zinc/00/10/54/156001054.db2.gz HEOYGTOWZMCNRE-KZNAEPCWSA-N 2 1 281.403 2.474 20 30 CEEDMP N#Cc1ccc(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)cc1 ZINC000363117381 156001055 /nfs/dbraw/zinc/00/10/55/156001055.db2.gz HEOYGTOWZMCNRE-KZNAEPCWSA-N 2 1 281.403 2.474 20 30 CEEDMP N#Cc1cccc(CC[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000459546741 414818513 /nfs/dbraw/zinc/81/85/13/414818513.db2.gz VDDNJPCPTRRAHX-UHFFFAOYSA-N 2 1 269.392 2.317 20 30 CEEDMP C=C(CC)C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655774636 415455768 /nfs/dbraw/zinc/45/57/68/415455768.db2.gz ZDVMTPNRSNGVMA-HNNXBMFYSA-N 2 1 252.402 2.186 20 30 CEEDMP Cc1cccc(NCCNC(=O)[C@@H]2CCC[N@@H+]2C2CC2)[nH+]1 ZINC000330230393 228073897 /nfs/dbraw/zinc/07/38/97/228073897.db2.gz QODAJKRPBCWRRF-AWEZNQCLSA-N 2 1 288.395 2.385 20 30 CEEDMP Cc1cccc(NCCNC(=O)[C@@H]2CCC[N@H+]2C2CC2)[nH+]1 ZINC000330230393 228073899 /nfs/dbraw/zinc/07/38/99/228073899.db2.gz QODAJKRPBCWRRF-AWEZNQCLSA-N 2 1 288.395 2.385 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2C[C@H](C)O[C@H]2C)CC1 ZINC000449119621 260230203 /nfs/dbraw/zinc/23/02/03/260230203.db2.gz AIWKIRGLMGQBMF-KCQAQPDRSA-N 2 1 252.402 2.182 20 30 CEEDMP COCC1(C#N)CC[NH+](CCCCn2cc[nH+]c2C)CC1 ZINC000341982061 263369646 /nfs/dbraw/zinc/36/96/46/263369646.db2.gz CWIUSQDYLIPWQM-UHFFFAOYSA-N 2 1 290.411 2.224 20 30 CEEDMP COCC1(C#N)CC[NH+](CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000341974236 263372552 /nfs/dbraw/zinc/37/25/52/263372552.db2.gz HWHHLSUXHZCJAH-HNNXBMFYSA-N 2 1 279.428 2.113 20 30 CEEDMP COCC1(C#N)CC[NH+](CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000341974236 263372554 /nfs/dbraw/zinc/37/25/54/263372554.db2.gz HWHHLSUXHZCJAH-HNNXBMFYSA-N 2 1 279.428 2.113 20 30 CEEDMP CCCNC(=[NH2+])NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000304800886 267835453 /nfs/dbraw/zinc/83/54/53/267835453.db2.gz OVGVRXUXJKSCKB-JSGCOSHPSA-N 2 1 294.468 2.445 20 30 CEEDMP C#CCC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278920757 275379379 /nfs/dbraw/zinc/37/93/79/275379379.db2.gz RPMWDHVUYRUBDZ-UHFFFAOYSA-N 2 1 257.381 2.422 20 30 CEEDMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@H](O)c3ccc(C#N)cc3)CC[C@H]21 ZINC000246389553 277068879 /nfs/dbraw/zinc/06/88/79/277068879.db2.gz ASMVCADYTPYNLL-KURKYZTESA-N 2 1 299.418 2.008 20 30 CEEDMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@H](O)c3ccc(C#N)cc3)CC[C@H]21 ZINC000246389553 277068881 /nfs/dbraw/zinc/06/88/81/277068881.db2.gz ASMVCADYTPYNLL-KURKYZTESA-N 2 1 299.418 2.008 20 30 CEEDMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@H](O)c3ccc(C#N)cc3)CC[C@H]21 ZINC000246389553 277068882 /nfs/dbraw/zinc/06/88/82/277068882.db2.gz ASMVCADYTPYNLL-KURKYZTESA-N 2 1 299.418 2.008 20 30 CEEDMP CCN(C[C@@H](O)C[N@@H+](C)CC)[C@H](C)c1ccc(C#N)cc1 ZINC000571266193 314080322 /nfs/dbraw/zinc/08/03/22/314080322.db2.gz GGIMRXUEIHQYPY-PBHICJAKSA-N 2 1 289.423 2.254 20 30 CEEDMP CCN(C)C[C@H](O)C[N@H+](CC)[C@H](C)c1ccc(C#N)cc1 ZINC000571266193 314080326 /nfs/dbraw/zinc/08/03/26/314080326.db2.gz GGIMRXUEIHQYPY-PBHICJAKSA-N 2 1 289.423 2.254 20 30 CEEDMP CCN(C)C[C@H](O)C[N@@H+](CC)[C@H](C)c1ccc(C#N)cc1 ZINC000571266193 314080330 /nfs/dbraw/zinc/08/03/30/314080330.db2.gz GGIMRXUEIHQYPY-PBHICJAKSA-N 2 1 289.423 2.254 20 30 CEEDMP CCc1cccc(NC(=[NH2+])N[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000262478679 330016397 /nfs/dbraw/zinc/01/63/97/330016397.db2.gz QRHGGADSUUHDAK-CQSZACIVSA-N 2 1 283.379 2.187 20 30 CEEDMP C=CCNC(=[NH2+])NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000262678253 330026264 /nfs/dbraw/zinc/02/62/64/330026264.db2.gz RYRUOUYOLKICTK-GXTWGEPZSA-N 2 1 292.452 2.221 20 30 CEEDMP C=CCN(CC=C)[C@H](C[NH2+][C@H]1CCC[C@H]1[NH3+])C(C)C ZINC000422827690 330156596 /nfs/dbraw/zinc/15/65/96/330156596.db2.gz FAWXOZPRSLGXSB-OWCLPIDISA-N 2 1 265.445 2.154 20 30 CEEDMP C[C@H]([NH2+]CC1CCC(C#N)CC1)c1c[nH+]ccc1N ZINC000423106892 330170602 /nfs/dbraw/zinc/17/06/02/330170602.db2.gz ROYXZXZIVNUDJO-HIFPTAJRSA-N 2 1 258.369 2.475 20 30 CEEDMP N#C[C@@H]1CCC[C@@H]([NH2+]CCC[NH2+]Cc2cccnc2)C1 ZINC000423183298 330175482 /nfs/dbraw/zinc/17/54/82/330175482.db2.gz GEDOGZSXGUTDFJ-GDBMZVCRSA-N 2 1 272.396 2.233 20 30 CEEDMP C[NH+](C)Cc1ccc(-c2noc([C@@H]([NH3+])CCCC#N)n2)cc1 ZINC000424338964 330343880 /nfs/dbraw/zinc/34/38/80/330343880.db2.gz PHCHZNGYQOWHRT-AWEZNQCLSA-N 2 1 299.378 2.492 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCC[C@@H]1CCCF ZINC000491209492 332166361 /nfs/dbraw/zinc/16/63/61/332166361.db2.gz HYPPNWMWUXBDSU-HUUCEWRRSA-N 2 1 254.393 2.450 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@@H]1CCCF ZINC000491209492 332166363 /nfs/dbraw/zinc/16/63/63/332166363.db2.gz HYPPNWMWUXBDSU-HUUCEWRRSA-N 2 1 254.393 2.450 20 30 CEEDMP N#CCc1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000581071429 336004248 /nfs/dbraw/zinc/00/42/48/336004248.db2.gz MTUBTBAVEQPYGP-UHFFFAOYSA-N 2 1 269.392 2.469 20 30 CEEDMP C=CCOc1ccccc1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000346840959 526935098 /nfs/dbraw/zinc/93/50/98/526935098.db2.gz GXYAFTHUMYGKIB-BPUTZDHNSA-N 2 1 272.392 2.421 20 30 CEEDMP C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000971944517 613286448 /nfs/dbraw/zinc/28/64/48/613286448.db2.gz WGIGMDSNOKHYPE-MRXNPFEDSA-N 2 1 298.390 2.057 20 30 CEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1C ZINC000947615812 613778932 /nfs/dbraw/zinc/77/89/32/613778932.db2.gz LJSCMRKTCYQMJS-GJZGRUSLSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CCC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001024513533 625592586 /nfs/dbraw/zinc/59/25/86/625592586.db2.gz QRMQECVHFDVDFP-HOTGVXAUSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001024513533 625592596 /nfs/dbraw/zinc/59/25/96/625592596.db2.gz QRMQECVHFDVDFP-HOTGVXAUSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001024513533 625592607 /nfs/dbraw/zinc/59/26/07/625592607.db2.gz QRMQECVHFDVDFP-HOTGVXAUSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001024513533 625592617 /nfs/dbraw/zinc/59/26/17/625592617.db2.gz QRMQECVHFDVDFP-HOTGVXAUSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001020907028 622920507 /nfs/dbraw/zinc/92/05/07/622920507.db2.gz QAMXYNFHFZSVDM-BZUAXINKSA-N 2 1 293.455 2.064 20 30 CEEDMP CC[C@H](C)NC(=[NH2+])NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000195165061 628527567 /nfs/dbraw/zinc/52/75/67/628527567.db2.gz GEQCFWIBBAVWIQ-HOCLYGCPSA-N 2 1 288.439 2.211 20 30 CEEDMP C=C(C)C[N@H+](C)C1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC000985640253 631164195 /nfs/dbraw/zinc/16/41/95/631164195.db2.gz XAEBQSBUIGENHT-MRXNPFEDSA-N 2 1 295.471 2.072 20 30 CEEDMP CN(CCC#N)c1ccc(C[N@H+](C)CCC[NH+](C)C)cc1 ZINC000809729298 632133804 /nfs/dbraw/zinc/13/38/04/632133804.db2.gz DPAUFASOOHUFRE-UHFFFAOYSA-N 2 1 288.439 2.420 20 30 CEEDMP CN(CCC#N)c1ccc(C[N@@H+](C)CCC[NH+](C)C)cc1 ZINC000809729298 632133809 /nfs/dbraw/zinc/13/38/09/632133809.db2.gz DPAUFASOOHUFRE-UHFFFAOYSA-N 2 1 288.439 2.420 20 30 CEEDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902789312 634833812 /nfs/dbraw/zinc/83/38/12/634833812.db2.gz DUQXXRONQDJOHF-CHWSQXEVSA-N 2 1 283.379 2.445 20 30 CEEDMP N#C[C@@H]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903192100 635005090 /nfs/dbraw/zinc/00/50/90/635005090.db2.gz ILVBUXWLDHIDCT-WYIYSYCWSA-N 2 1 259.397 2.426 20 30 CEEDMP C[NH2+]C[C@H]1CC[N@@H+](Cc2c(C)cc(C#N)cc2C)C1 ZINC000903422864 635122983 /nfs/dbraw/zinc/12/29/83/635122983.db2.gz KKGJJMAGWKXKKA-CQSZACIVSA-N 2 1 257.381 2.216 20 30 CEEDMP N#Cc1ccc(CC[N@H+]2CCC[C@H]3CC[C@]32CN)cc1 ZINC000903801667 635278149 /nfs/dbraw/zinc/27/81/49/635278149.db2.gz OWPSWLDPEHKNTH-IRXDYDNUSA-N 2 1 269.392 2.304 20 30 CEEDMP N#Cc1ccc(CC[N@@H+]2CCC[C@H]3CC[C@]32CN)cc1 ZINC000903801667 635278150 /nfs/dbraw/zinc/27/81/50/635278150.db2.gz OWPSWLDPEHKNTH-IRXDYDNUSA-N 2 1 269.392 2.304 20 30 CEEDMP N#Cc1ccc(CC[N@H+]2CCC[C@H]3CC[C@]32C[NH3+])cc1 ZINC000903801667 635278155 /nfs/dbraw/zinc/27/81/55/635278155.db2.gz OWPSWLDPEHKNTH-IRXDYDNUSA-N 2 1 269.392 2.304 20 30 CEEDMP N#Cc1ccc(CC[N@@H+]2CCC[C@H]3CC[C@]32C[NH3+])cc1 ZINC000903801667 635278158 /nfs/dbraw/zinc/27/81/58/635278158.db2.gz OWPSWLDPEHKNTH-IRXDYDNUSA-N 2 1 269.392 2.304 20 30 CEEDMP C#Cc1cccc(C[NH2+][C@@H]2CC[N@H+](CC)C[C@@H]2C)c1 ZINC000825226731 635594915 /nfs/dbraw/zinc/59/49/15/635594915.db2.gz LHRCTUQTWARXRZ-WMLDXEAASA-N 2 1 256.393 2.488 20 30 CEEDMP C=C(Cl)C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173955841 639885642 /nfs/dbraw/zinc/88/56/42/639885642.db2.gz JQXNNSKHTFXQOW-UHFFFAOYSA-N 2 1 272.820 2.316 20 30 CEEDMP CC[NH+]=C(NCc1ccsc1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000083129742 642052428 /nfs/dbraw/zinc/05/24/28/642052428.db2.gz WMKBYDHIKOJOSW-ZDUSSCGKSA-N 2 1 292.452 2.040 20 30 CEEDMP CC[NH+]=C(NCc1ccsc1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000083129742 642052431 /nfs/dbraw/zinc/05/24/31/642052431.db2.gz WMKBYDHIKOJOSW-ZDUSSCGKSA-N 2 1 292.452 2.040 20 30 CEEDMP C=CCC1([NH2+]Cc2ncc(C[NH+](C)C)s2)CCOCC1 ZINC000850367814 642684266 /nfs/dbraw/zinc/68/42/66/642684266.db2.gz FLFOUXVRPOUPAO-UHFFFAOYSA-N 2 1 295.452 2.420 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@H](SC)C1 ZINC000922147274 642905701 /nfs/dbraw/zinc/90/57/01/642905701.db2.gz QDJFHNQAWPIPSO-KGLIPLIRSA-N 2 1 254.443 2.205 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCC[C@H](SC)C1 ZINC000922147274 642905704 /nfs/dbraw/zinc/90/57/04/642905704.db2.gz QDJFHNQAWPIPSO-KGLIPLIRSA-N 2 1 254.443 2.205 20 30 CEEDMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)cc1C#N ZINC000923492654 643737321 /nfs/dbraw/zinc/73/73/21/643737321.db2.gz YLQPTMSXMYUMLJ-ZFWWWQNUSA-N 2 1 257.381 2.283 20 30 CEEDMP C[NH+](C)C[C@@H]1CC[N@@H+](CCCOc2ccc(C#N)cc2)C1 ZINC000113512270 644416010 /nfs/dbraw/zinc/41/60/10/644416010.db2.gz ISPHJWGIUKXQJN-INIZCTEOSA-N 2 1 287.407 2.211 20 30 CEEDMP N#C[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000774184446 646815469 /nfs/dbraw/zinc/81/54/69/646815469.db2.gz CDDIOMOPPXGKKH-HYVNUMGLSA-N 2 1 291.439 2.302 20 30 CEEDMP C[N@H+](CCc1cccc(C#N)c1)CC[C@H]1CC[NH2+]C1 ZINC000866698488 647873498 /nfs/dbraw/zinc/87/34/98/647873498.db2.gz WGEPCMAOJBKHFR-OAHLLOKOSA-N 2 1 257.381 2.032 20 30 CEEDMP C=CCCCCC[C@H](C)[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000793529257 648770813 /nfs/dbraw/zinc/77/08/13/648770813.db2.gz WFOOKHJBQLZFHC-INIZCTEOSA-N 2 1 295.471 2.265 20 30 CEEDMP C=C(CC)CO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000871785527 649184258 /nfs/dbraw/zinc/18/42/58/649184258.db2.gz VUFNFMAAUHQUPU-YHWZYXNKSA-N 2 1 251.374 2.324 20 30 CEEDMP C=C(CC)CO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000871785527 649184262 /nfs/dbraw/zinc/18/42/62/649184262.db2.gz VUFNFMAAUHQUPU-YHWZYXNKSA-N 2 1 251.374 2.324 20 30 CEEDMP C[N@@H+]1CC[C@H]2C[NH+](CCCOc3ccc(C#N)cc3)CC[C@H]21 ZINC000879572559 651323848 /nfs/dbraw/zinc/32/38/48/651323848.db2.gz YXEFIWACUJCUIU-FUHWJXTLSA-N 2 1 299.418 2.353 20 30 CEEDMP C[N@H+]1CC[C@H]2C[NH+](CCCOc3ccc(C#N)cc3)CC[C@H]21 ZINC000879572559 651323850 /nfs/dbraw/zinc/32/38/50/651323850.db2.gz YXEFIWACUJCUIU-FUHWJXTLSA-N 2 1 299.418 2.353 20 30 CEEDMP C[NH+]1CC[C@H]2C[N@H+](CCCOc3ccc(C#N)cc3)CC[C@H]21 ZINC000879572559 651323855 /nfs/dbraw/zinc/32/38/55/651323855.db2.gz YXEFIWACUJCUIU-FUHWJXTLSA-N 2 1 299.418 2.353 20 30 CEEDMP C[NH+]1CC[C@H]2C[N@@H+](CCCOc3ccc(C#N)cc3)CC[C@H]21 ZINC000879572559 651323857 /nfs/dbraw/zinc/32/38/57/651323857.db2.gz YXEFIWACUJCUIU-FUHWJXTLSA-N 2 1 299.418 2.353 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+]Cc1cc2ccncc2s1 ZINC000883131207 652372572 /nfs/dbraw/zinc/37/25/72/652372572.db2.gz OOUSGUNXSHYFRH-UHFFFAOYSA-N 2 1 273.405 2.341 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1cc2ccncc2s1 ZINC000883131207 652372575 /nfs/dbraw/zinc/37/25/75/652372575.db2.gz OOUSGUNXSHYFRH-UHFFFAOYSA-N 2 1 273.405 2.341 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000883131216 652373102 /nfs/dbraw/zinc/37/31/02/652373102.db2.gz OZINHHSLXWWHSV-VURMDHGXSA-N 2 1 285.435 2.311 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000883131216 652373103 /nfs/dbraw/zinc/37/31/03/652373103.db2.gz OZINHHSLXWWHSV-VURMDHGXSA-N 2 1 285.435 2.311 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](COC)[C@@H]2CCCOC2)CC1 ZINC000883187362 652393632 /nfs/dbraw/zinc/39/36/32/652393632.db2.gz MHVUCRGPRHXNSX-WBVHZDCISA-N 2 1 296.455 2.058 20 30 CEEDMP C=C(C)C[N@H+](C)CC1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001267758908 803714341 /nfs/dbraw/zinc/71/43/41/803714341.db2.gz SILACGKKBMLGMU-INIZCTEOSA-N 2 1 295.471 2.073 20 30 CEEDMP C=CCCC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C)CCCC1 ZINC001268039516 804176076 /nfs/dbraw/zinc/17/60/76/804176076.db2.gz XASXBRNATXMBBU-OAHLLOKOSA-N 2 1 293.455 2.065 20 30 CEEDMP C=CCC[C@@H](C)[NH+]1CC[C@@H](N(C)C(=O)CC[N@H+](C)CC)C1 ZINC001269287835 805114233 /nfs/dbraw/zinc/11/42/33/805114233.db2.gz NIUCVMFNIROROJ-HZPDHXFCSA-N 2 1 295.471 2.216 20 30 CEEDMP C=CCC[C@@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)CC)C1 ZINC001269287835 805114237 /nfs/dbraw/zinc/11/42/37/805114237.db2.gz NIUCVMFNIROROJ-HZPDHXFCSA-N 2 1 295.471 2.216 20 30 CEEDMP C=CCC[C@@H](C)[N@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)CC)C1 ZINC001269287835 805114242 /nfs/dbraw/zinc/11/42/42/805114242.db2.gz NIUCVMFNIROROJ-HZPDHXFCSA-N 2 1 295.471 2.216 20 30 CEEDMP C=CCCC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CCC)[C@H](C)C1 ZINC001269980591 805300737 /nfs/dbraw/zinc/30/07/37/805300737.db2.gz HECFQRJVZYDBLC-HZPDHXFCSA-N 2 1 295.471 2.264 20 30 CEEDMP C#Cc1cccc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC001231660563 807183158 /nfs/dbraw/zinc/18/31/58/807183158.db2.gz IETHYHFHXNUNBC-KRWDZBQOSA-N 2 1 254.377 2.196 20 30 CEEDMP C#Cc1cccc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC001231660563 807183161 /nfs/dbraw/zinc/18/31/61/807183161.db2.gz IETHYHFHXNUNBC-KRWDZBQOSA-N 2 1 254.377 2.196 20 30 CEEDMP C#Cc1cccc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1 ZINC001231660563 807183165 /nfs/dbraw/zinc/18/31/65/807183165.db2.gz IETHYHFHXNUNBC-KRWDZBQOSA-N 2 1 254.377 2.196 20 30 CEEDMP C#Cc1cccc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1 ZINC001231660563 807183166 /nfs/dbraw/zinc/18/31/66/807183166.db2.gz IETHYHFHXNUNBC-KRWDZBQOSA-N 2 1 254.377 2.196 20 30 CEEDMP C=CC[N@@H+]1CCC[C@H]1c1ccc(-n2ccnc2C(N)=[NH2+])cc1 ZINC001168420235 807274116 /nfs/dbraw/zinc/27/41/16/807274116.db2.gz QZLQTSSAEMFBOQ-HNNXBMFYSA-N 2 1 295.390 2.479 20 30 CEEDMP C=C[C@H](CO)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716635983 815137198 /nfs/dbraw/zinc/13/71/98/815137198.db2.gz HSYOPFHAGZZDMC-MHORFTMASA-N 2 1 286.419 2.176 20 30 CEEDMP C=C(C)C[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCCCN2C)C1 ZINC001034272590 809569620 /nfs/dbraw/zinc/56/96/20/809569620.db2.gz VWEDORXVIMRDOA-JKSUJKDBSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)C[NH+]1CCCC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001034272590 809569622 /nfs/dbraw/zinc/56/96/22/809569622.db2.gz VWEDORXVIMRDOA-JKSUJKDBSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)C[NH+]1CCCC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001034272590 809569624 /nfs/dbraw/zinc/56/96/24/809569624.db2.gz VWEDORXVIMRDOA-JKSUJKDBSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)C[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001034272590 809569626 /nfs/dbraw/zinc/56/96/26/809569626.db2.gz VWEDORXVIMRDOA-JKSUJKDBSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)C[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001034272590 809569628 /nfs/dbraw/zinc/56/96/28/809569628.db2.gz VWEDORXVIMRDOA-JKSUJKDBSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001085196803 809759121 /nfs/dbraw/zinc/75/91/21/809759121.db2.gz ONMHHUQVBQGUAT-OAGGEKHMSA-N 2 1 293.455 2.062 20 30 CEEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001016340739 810425087 /nfs/dbraw/zinc/42/50/87/810425087.db2.gz ZKLLRLRFEYCRHY-JKSUJKDBSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001016340739 810425090 /nfs/dbraw/zinc/42/50/90/810425090.db2.gz ZKLLRLRFEYCRHY-JKSUJKDBSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001016340739 810425093 /nfs/dbraw/zinc/42/50/93/810425093.db2.gz ZKLLRLRFEYCRHY-JKSUJKDBSA-N 2 1 293.455 2.018 20 30 CEEDMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCc1ccc(C#N)cc1)C2 ZINC001169092204 811382901 /nfs/dbraw/zinc/38/29/01/811382901.db2.gz ZWDYSYRFOUWDCH-BJWYYQGGSA-N 2 1 269.392 2.316 20 30 CEEDMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1[C@@H]3CC[C@H]1C[C@H](C#N)C3)C2 ZINC001169144118 811411311 /nfs/dbraw/zinc/41/13/11/811411311.db2.gz IWCKAGZOFPAUAX-WKJSRAMOSA-N 2 1 259.397 2.378 20 30 CEEDMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1[C@@H]3CC[C@H]1C[C@H](C#N)C3)C2 ZINC001169144118 811411316 /nfs/dbraw/zinc/41/13/16/811411316.db2.gz IWCKAGZOFPAUAX-WKJSRAMOSA-N 2 1 259.397 2.378 20 30 CEEDMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1[C@@H]3CC[C@H]1C[C@H](C#N)C3)C2 ZINC001169144118 811411321 /nfs/dbraw/zinc/41/13/21/811411321.db2.gz IWCKAGZOFPAUAX-WKJSRAMOSA-N 2 1 259.397 2.378 20 30 CEEDMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1[C@@H]3CC[C@H]1C[C@H](C#N)C3)C2 ZINC001169144118 811411325 /nfs/dbraw/zinc/41/13/25/811411325.db2.gz IWCKAGZOFPAUAX-WKJSRAMOSA-N 2 1 259.397 2.378 20 30 CEEDMP C=CCC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001046314580 811733495 /nfs/dbraw/zinc/73/34/95/811733495.db2.gz DKNZPFBTFTXVMM-DOTOQJQBSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001046314580 811733500 /nfs/dbraw/zinc/73/35/00/811733500.db2.gz DKNZPFBTFTXVMM-DOTOQJQBSA-N 2 1 293.455 2.016 20 30 CEEDMP Cc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)cc1C#N ZINC001206175703 815515413 /nfs/dbraw/zinc/51/54/13/815515413.db2.gz XGBJFYSZGDLXSO-HUUCEWRRSA-N 2 1 261.344 2.128 20 30 CEEDMP Cc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)cc1C#N ZINC001206175703 815515415 /nfs/dbraw/zinc/51/54/15/815515415.db2.gz XGBJFYSZGDLXSO-HUUCEWRRSA-N 2 1 261.344 2.128 20 30 CEEDMP C=CCCC[NH2+]CCNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001131822929 812733068 /nfs/dbraw/zinc/73/30/68/812733068.db2.gz YCVWCZPLGOJUSF-UHFFFAOYSA-N 2 1 295.471 2.313 20 30 CEEDMP C=C(C)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001135467785 813442046 /nfs/dbraw/zinc/44/20/46/813442046.db2.gz JTPRFTAXFBGNOY-GJZGRUSLSA-N 2 1 295.471 2.167 20 30 CEEDMP C=C(C)CC[N@@H+]1C[C@H](NC(=O)C[NH+]2CCCC2)CC[C@@H]1C ZINC001072080914 813540108 /nfs/dbraw/zinc/54/01/08/813540108.db2.gz DIUPFCVSKQRMEW-JKSUJKDBSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CC[N@H+](C)CCC ZINC001135995823 813582994 /nfs/dbraw/zinc/58/29/94/813582994.db2.gz LNBSWWJQEJFEAC-GJZGRUSLSA-N 2 1 283.460 2.167 20 30 CEEDMP C=C(C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001099214681 813995552 /nfs/dbraw/zinc/99/55/52/813995552.db2.gz LZZLUBXEZVDGOT-OAHLLOKOSA-N 2 1 295.471 2.121 20 30 CEEDMP C=CCCCCC[NH2+]CCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001171226471 814192415 /nfs/dbraw/zinc/19/24/15/814192415.db2.gz GZERDTYTSJEAHD-INIZCTEOSA-N 2 1 295.471 2.171 20 30 CEEDMP Cc1cc(C#N)ccc1C[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206196634 815624560 /nfs/dbraw/zinc/62/45/60/815624560.db2.gz CJDGACICFOSVMK-GJZGRUSLSA-N 2 1 261.344 2.128 20 30 CEEDMP CC[N@@H+]1CC[C@H](NC(=[NH2+])c2ccc3cc(O)ccc3c2)C1 ZINC001173356185 815697766 /nfs/dbraw/zinc/69/77/66/815697766.db2.gz BNGDLITYZHGPIS-HNNXBMFYSA-N 2 1 283.375 2.345 20 30 CEEDMP CC[N@H+]1CC[C@H](NC(=[NH2+])c2ccc3cc(O)ccc3c2)C1 ZINC001173356185 815697770 /nfs/dbraw/zinc/69/77/70/815697770.db2.gz BNGDLITYZHGPIS-HNNXBMFYSA-N 2 1 283.375 2.345 20 30 CEEDMP CCc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)ccc1C#N ZINC001206212583 815797202 /nfs/dbraw/zinc/79/72/02/815797202.db2.gz SAMVCQJENNUDQM-HZPDHXFCSA-N 2 1 275.371 2.382 20 30 CEEDMP CCc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)ccc1C#N ZINC001206212583 815797205 /nfs/dbraw/zinc/79/72/05/815797205.db2.gz SAMVCQJENNUDQM-HZPDHXFCSA-N 2 1 275.371 2.382 20 30 CEEDMP C=CC[N@H+](C)Cc1cc(C[NH+](C)C)c(O)c(OC)c1 ZINC001139258831 815997358 /nfs/dbraw/zinc/99/73/58/815997358.db2.gz XQQBXBSUSZPAAZ-UHFFFAOYSA-N 2 1 264.369 2.080 20 30 CEEDMP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+](C)CCC ZINC001176283925 816377224 /nfs/dbraw/zinc/37/72/24/816377224.db2.gz AXXMCIVMSXVLFD-OAHLLOKOSA-N 2 1 283.460 2.169 20 30 CEEDMP C=CCC[NH2+]CCCC[C@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001176760359 816473379 /nfs/dbraw/zinc/47/33/79/816473379.db2.gz WATDGYGMPWQFMC-HNNXBMFYSA-N 2 1 283.460 2.167 20 30 CEEDMP COc1cc(C#N)ccc1CN(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000121136200 365525958 /nfs/dbraw/zinc/52/59/58/365525958.db2.gz BKJSYVWWSPNEPP-BBRMVZONSA-N 2 1 287.407 2.481 20 30 CEEDMP CC[NH+]1CCC([N@H+](C)CCOc2cccc(C#N)c2)CC1 ZINC000042679750 362108640 /nfs/dbraw/zinc/10/86/40/362108640.db2.gz ANZGBERPCKOVOV-UHFFFAOYSA-N 2 1 287.407 2.353 20 30 CEEDMP CC[NH+]1CCC([N@@H+](C)CCOc2cccc(C#N)c2)CC1 ZINC000042679750 362108647 /nfs/dbraw/zinc/10/86/47/362108647.db2.gz ANZGBERPCKOVOV-UHFFFAOYSA-N 2 1 287.407 2.353 20 30 CEEDMP C[C@H]1CCCC[N@H+]1CCCCNC(=[NH2+])Nc1ccccn1 ZINC000170903776 344492660 /nfs/dbraw/zinc/49/26/60/344492660.db2.gz BDBNQAWBZSXBOE-AWEZNQCLSA-N 2 1 289.427 2.463 20 30 CEEDMP C[C@@]1(C#N)CC[NH+](CCCC[N@H+]2CC[C@@](C)(C#N)C2)C1 ZINC000595839698 345895040 /nfs/dbraw/zinc/89/50/40/345895040.db2.gz IGSWASVALQXPFM-HOTGVXAUSA-N 2 1 274.412 2.238 20 30 CEEDMP C[C@@]1(C#N)CC[NH+](CCCC[N@@H+]2CC[C@@](C)(C#N)C2)C1 ZINC000595839698 345895043 /nfs/dbraw/zinc/89/50/43/345895043.db2.gz IGSWASVALQXPFM-HOTGVXAUSA-N 2 1 274.412 2.238 20 30 CEEDMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CCc1ccc(C#N)cc1 ZINC000595890293 345907789 /nfs/dbraw/zinc/90/77/89/345907789.db2.gz FRGWZVJMJPQKAZ-INIZCTEOSA-N 2 1 259.397 2.406 20 30 CEEDMP C[C@@H]1C[C@@H](C)[N@@H+](CCc2ccc(C#N)cc2)C[C@@H]1C[NH3+] ZINC000595891116 345908056 /nfs/dbraw/zinc/90/80/56/345908056.db2.gz ALTMNOVBUFPBQG-CPUCHLNUSA-N 2 1 271.408 2.406 20 30 CEEDMP N#Cc1ccc(CC[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000595895802 345909424 /nfs/dbraw/zinc/90/94/24/345909424.db2.gz VTXDJKKJGMMDFS-MSOLQXFVSA-N 2 1 283.419 2.422 20 30 CEEDMP CCC[NH+]1CCC([N@@H+](C)C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598591975 346379220 /nfs/dbraw/zinc/37/92/20/346379220.db2.gz CXXWBWGHNWQRAV-HNNXBMFYSA-N 2 1 281.444 2.093 20 30 CEEDMP Cc1ccc(C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cc1C#N ZINC000600699790 346673266 /nfs/dbraw/zinc/67/32/66/346673266.db2.gz DGHCVWXEFVUING-DZGCQCFKSA-N 2 1 257.381 2.426 20 30 CEEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000602724033 347171674 /nfs/dbraw/zinc/17/16/74/347171674.db2.gz PMHLKAXHOOGKQQ-CVEARBPZSA-N 2 1 293.455 2.407 20 30 CEEDMP C[C@H](CCC#N)C[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000618887337 349060261 /nfs/dbraw/zinc/06/02/61/349060261.db2.gz UZSUUHIIVJLZIT-IAGOWNOFSA-N 2 1 292.471 2.028 20 30 CEEDMP C[C@@H]1C[C@H]([NH+](C)CCOc2ccc(C#N)cc2)CC[N@@H+]1C ZINC000123062112 187069157 /nfs/dbraw/zinc/06/91/57/187069157.db2.gz IKNGDGDWVSTCDZ-GDBMZVCRSA-N 2 1 287.407 2.352 20 30 CEEDMP C[C@@H]1C[C@H]([NH+](C)CCOc2ccc(C#N)cc2)CC[N@H+]1C ZINC000123062112 187069158 /nfs/dbraw/zinc/06/91/58/187069158.db2.gz IKNGDGDWVSTCDZ-GDBMZVCRSA-N 2 1 287.407 2.352 20 30 CEEDMP C[C@@H]1C[C@H]([N@H+](C)CCOc2ccc(C#N)cc2)CC[NH+]1C ZINC000123062112 187069159 /nfs/dbraw/zinc/06/91/59/187069159.db2.gz IKNGDGDWVSTCDZ-GDBMZVCRSA-N 2 1 287.407 2.352 20 30 CEEDMP C[C@@H]1C[C@H]([N@@H+](C)CCOc2ccc(C#N)cc2)CC[NH+]1C ZINC000123062112 187069160 /nfs/dbraw/zinc/06/91/60/187069160.db2.gz IKNGDGDWVSTCDZ-GDBMZVCRSA-N 2 1 287.407 2.352 20 30 CEEDMP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccc(C#N)cc3)C2)C1 ZINC000292088168 198158318 /nfs/dbraw/zinc/15/83/18/198158318.db2.gz GJJLIFVNHABXHY-INIZCTEOSA-N 2 1 255.365 2.086 20 30 CEEDMP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccc(C#N)cc3)C2)C1 ZINC000292088168 198158320 /nfs/dbraw/zinc/15/83/20/198158320.db2.gz GJJLIFVNHABXHY-INIZCTEOSA-N 2 1 255.365 2.086 20 30 CEEDMP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccc(C#N)cc3)C2)C1 ZINC000292088168 198158321 /nfs/dbraw/zinc/15/83/21/198158321.db2.gz GJJLIFVNHABXHY-INIZCTEOSA-N 2 1 255.365 2.086 20 30 CEEDMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccc(C#N)cc3)C2)C1 ZINC000292088168 198158323 /nfs/dbraw/zinc/15/83/23/198158323.db2.gz GJJLIFVNHABXHY-INIZCTEOSA-N 2 1 255.365 2.086 20 30 CEEDMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(OCC#N)cc2)CC[N@H+]1C ZINC000157790791 188339285 /nfs/dbraw/zinc/33/92/85/188339285.db2.gz YMQZKSRGBYQAPV-HIFRSBDPSA-N 2 1 273.380 2.161 20 30 CEEDMP C[C@H]1CC[N@@H+](CCN[C@H]2CCc3ccc(C#N)cc32)C1 ZINC000570193045 299244139 /nfs/dbraw/zinc/24/41/39/299244139.db2.gz RGPXWNRPMHOOKD-GUYCJALGSA-N 2 1 269.392 2.477 20 30 CEEDMP C=C(C)C[NH+]1CCC(N[C@H]2CC[N@H+](CC)C[C@H]2C)CC1 ZINC000152974673 366723181 /nfs/dbraw/zinc/72/31/81/366723181.db2.gz DYZCVTCSYVRBNC-WBVHZDCISA-N 2 1 279.472 2.347 20 30 CEEDMP COCCC[NH+]1CCC([NH2+]Cc2ccc(C#N)cc2)CC1 ZINC000237198790 370699526 /nfs/dbraw/zinc/69/95/26/370699526.db2.gz RNUKMPRTQOXIRW-UHFFFAOYSA-N 2 1 287.407 2.149 20 30 CEEDMP C[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)CC[N@@H+]1C ZINC000334670383 364160184 /nfs/dbraw/zinc/16/01/84/364160184.db2.gz LUEQJDDZVCHPMO-SMDDNHRTSA-N 2 1 261.344 2.270 20 30 CEEDMP C[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)CC[N@H+]1C ZINC000334670383 364160189 /nfs/dbraw/zinc/16/01/89/364160189.db2.gz LUEQJDDZVCHPMO-SMDDNHRTSA-N 2 1 261.344 2.270 20 30 CEEDMP C#CCOc1ccccc1C[NH+]1CC[C@H](C[N@@H+](C)CC)C1 ZINC000093770474 364224522 /nfs/dbraw/zinc/22/45/22/364224522.db2.gz ATOXFXVAPOEFGF-MRXNPFEDSA-N 2 1 286.419 2.472 20 30 CEEDMP C#CCOc1ccccc1C[NH+]1CC[C@H](C[N@H+](C)CC)C1 ZINC000093770474 364224529 /nfs/dbraw/zinc/22/45/29/364224529.db2.gz ATOXFXVAPOEFGF-MRXNPFEDSA-N 2 1 286.419 2.472 20 30 CEEDMP C#CCOc1ccccc1C[N@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000093770474 364224534 /nfs/dbraw/zinc/22/45/34/364224534.db2.gz ATOXFXVAPOEFGF-MRXNPFEDSA-N 2 1 286.419 2.472 20 30 CEEDMP C#CCOc1ccccc1C[N@@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000093770474 364224539 /nfs/dbraw/zinc/22/45/39/364224539.db2.gz ATOXFXVAPOEFGF-MRXNPFEDSA-N 2 1 286.419 2.472 20 30 CEEDMP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)ccc1C#N ZINC000335878081 365104455 /nfs/dbraw/zinc/10/44/55/365104455.db2.gz QDGPSMOOAKASHR-CZUORRHYSA-N 2 1 257.381 2.439 20 30 CEEDMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1cccc(C#N)c1 ZINC000343632765 367929466 /nfs/dbraw/zinc/92/94/66/367929466.db2.gz ZMHYDKLVDJMQPY-BBRMVZONSA-N 2 1 257.381 2.031 20 30 CEEDMP C=CCOc1ccc(C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)cc1 ZINC000346694234 368777133 /nfs/dbraw/zinc/77/71/33/368777133.db2.gz SUHIXZLLOSSJHB-UKRRQHHQSA-N 2 1 260.381 2.421 20 30 CEEDMP CCCCNC(=[NH2+])NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000195291806 370122834 /nfs/dbraw/zinc/12/28/34/370122834.db2.gz VGAKXHSRGCIWLV-INIZCTEOSA-N 2 1 288.439 2.213 20 30 CEEDMP C=C(C)[C@H](CO)[NH+]1CCC(CC)([NH+]2CCCC2)CC1 ZINC000639985952 371714508 /nfs/dbraw/zinc/71/45/08/371714508.db2.gz GJEWFUARFVJIAU-HNNXBMFYSA-N 2 1 266.429 2.264 20 30 CEEDMP CCCCNC(=[NH2+])NCc1cccc(C[N@@H+](C)CC)c1 ZINC000264129875 371975664 /nfs/dbraw/zinc/97/56/64/371975664.db2.gz XSCBAMWPLNIAOU-UHFFFAOYSA-N 2 1 276.428 2.343 20 30 CEEDMP N#Cc1ccc([C@@H](O)C[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)cc1 ZINC000268656508 372170611 /nfs/dbraw/zinc/17/06/11/372170611.db2.gz LBBJRLJSLSVJQH-CVEARBPZSA-N 2 1 296.374 2.194 20 30 CEEDMP COc1cc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)ccc1C#N ZINC000353640469 220211906 /nfs/dbraw/zinc/21/19/06/220211906.db2.gz GXACKNSGXZSOCD-WOSRLPQWSA-N 2 1 287.407 2.385 20 30 CEEDMP COc1cc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)ccc1C#N ZINC000353640469 220211911 /nfs/dbraw/zinc/21/19/11/220211911.db2.gz GXACKNSGXZSOCD-WOSRLPQWSA-N 2 1 287.407 2.385 20 30 CEEDMP C=C(C)CC[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000644658207 373586272 /nfs/dbraw/zinc/58/62/72/373586272.db2.gz CUXKNSUBNPNSEL-MRXNPFEDSA-N 2 1 262.397 2.035 20 30 CEEDMP C=C(C)CC[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000644658207 373586277 /nfs/dbraw/zinc/58/62/77/373586277.db2.gz CUXKNSUBNPNSEL-MRXNPFEDSA-N 2 1 262.397 2.035 20 30 CEEDMP C[NH+](C)CCc1ccc(C[NH2+]C[C@@H](C#N)CCC#N)cc1 ZINC000574512352 335024994 /nfs/dbraw/zinc/02/49/94/335024994.db2.gz LOCUHIKJWFGGCB-QGZVFWFLSA-N 2 1 284.407 2.324 20 30 CEEDMP COc1cc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)ccc1C#N ZINC000290401968 376763199 /nfs/dbraw/zinc/76/31/99/376763199.db2.gz JLPSWNLZVOVZRW-SJORKVTESA-N 2 1 299.418 2.483 20 30 CEEDMP COc1cc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)ccc1C#N ZINC000290401968 376763208 /nfs/dbraw/zinc/76/32/08/376763208.db2.gz JLPSWNLZVOVZRW-SJORKVTESA-N 2 1 299.418 2.483 20 30 CEEDMP COc1cc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)ccc1C#N ZINC000290401968 376763213 /nfs/dbraw/zinc/76/32/13/376763213.db2.gz JLPSWNLZVOVZRW-SJORKVTESA-N 2 1 299.418 2.483 20 30 CEEDMP COc1cc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)ccc1C#N ZINC000290401968 376763220 /nfs/dbraw/zinc/76/32/20/376763220.db2.gz JLPSWNLZVOVZRW-SJORKVTESA-N 2 1 299.418 2.483 20 30 CEEDMP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)c1ccc(C#N)cc1F ZINC000423406626 377269792 /nfs/dbraw/zinc/26/97/92/377269792.db2.gz UXTILZDVERVTKP-ZETOZRRWSA-N 2 1 261.344 2.346 20 30 CEEDMP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccc(C#N)cc3)C2)C1 ZINC000293095544 377426572 /nfs/dbraw/zinc/42/65/72/377426572.db2.gz XJLINLDUSYEUSL-QGZVFWFLSA-N 2 1 269.392 2.476 20 30 CEEDMP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccc(C#N)cc3)C2)C1 ZINC000293095544 377426577 /nfs/dbraw/zinc/42/65/77/377426577.db2.gz XJLINLDUSYEUSL-QGZVFWFLSA-N 2 1 269.392 2.476 20 30 CEEDMP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccc(C#N)cc3)C2)C1 ZINC000293095544 377426580 /nfs/dbraw/zinc/42/65/80/377426580.db2.gz XJLINLDUSYEUSL-QGZVFWFLSA-N 2 1 269.392 2.476 20 30 CEEDMP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccc(C#N)cc3)C2)C1 ZINC000293095544 377426585 /nfs/dbraw/zinc/42/65/85/377426585.db2.gz XJLINLDUSYEUSL-QGZVFWFLSA-N 2 1 269.392 2.476 20 30 CEEDMP CC[NH+](CC)CCC[NH2+]Cc1cc(C#N)cs1 ZINC000093492014 249310440 /nfs/dbraw/zinc/31/04/40/249310440.db2.gz LFRRTPLDAHIOSV-UHFFFAOYSA-N 2 1 251.399 2.441 20 30 CEEDMP C[C@@H]1C[N@@H+](CCC[NH2+]CC(C)(C)CCC#N)CCCO1 ZINC000432368065 377754877 /nfs/dbraw/zinc/75/48/77/377754877.db2.gz ODHDCHAEIHXJHC-OAHLLOKOSA-N 2 1 281.444 2.407 20 30 CEEDMP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000436303704 377822543 /nfs/dbraw/zinc/82/25/43/377822543.db2.gz CIWUOEIDFIHYPG-KBXIAJHMSA-N 2 1 252.402 2.040 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(C)cc1O ZINC000294912541 378027363 /nfs/dbraw/zinc/02/73/63/378027363.db2.gz GGPSVNCCDQILGR-CQSZACIVSA-N 2 1 260.381 2.306 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(C)cc1O ZINC000294912541 378027367 /nfs/dbraw/zinc/02/73/67/378027367.db2.gz GGPSVNCCDQILGR-CQSZACIVSA-N 2 1 260.381 2.306 20 30 CEEDMP COc1c[nH+]ccc1N1CC[NH+](CCC(C)(C)C#N)CC1 ZINC000347068741 533134484 /nfs/dbraw/zinc/13/44/84/533134484.db2.gz BYOGGPYURZNWOV-UHFFFAOYSA-N 2 1 288.395 2.152 20 30 CEEDMP C[N@@H+](CCCNC(=[NH2+])NC1CCCC1)Cc1ccccc1 ZINC000050285680 394555099 /nfs/dbraw/zinc/55/50/99/394555099.db2.gz ATEXYVZHGKFAQU-UHFFFAOYSA-N 2 1 288.439 2.355 20 30 CEEDMP CCN(CC)C(=[NH2+])NC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000267476466 394680798 /nfs/dbraw/zinc/68/07/98/394680798.db2.gz ZKCIAIINQATELL-CQSZACIVSA-N 2 1 276.428 2.163 20 30 CEEDMP CCN(CC)C(=[NH2+])NC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000267476466 394680802 /nfs/dbraw/zinc/68/08/02/394680802.db2.gz ZKCIAIINQATELL-CQSZACIVSA-N 2 1 276.428 2.163 20 30 CEEDMP CCN(CC)C(=[NH2+])NC[C@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000104191350 394719374 /nfs/dbraw/zinc/71/93/74/394719374.db2.gz OHRNRIOQHBHKSW-CQSZACIVSA-N 2 1 292.427 2.381 20 30 CEEDMP C[N@H+]1CCC[C@H](N2CC[NH+](CC(C)(C)CCC#N)CC2)C1 ZINC000362377769 394856975 /nfs/dbraw/zinc/85/69/75/394856975.db2.gz ZWPIIYNQUUZDNH-INIZCTEOSA-N 2 1 292.471 2.028 20 30 CEEDMP C=CCOCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000339043410 394938383 /nfs/dbraw/zinc/93/83/83/394938383.db2.gz GEQOUSLEKIMBGE-GDBMZVCRSA-N 2 1 264.413 2.138 20 30 CEEDMP C=CCOCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000339043410 394938387 /nfs/dbraw/zinc/93/83/87/394938387.db2.gz GEQOUSLEKIMBGE-GDBMZVCRSA-N 2 1 264.413 2.138 20 30 CEEDMP CC#CCC[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000155367978 395027360 /nfs/dbraw/zinc/02/73/60/395027360.db2.gz UKIHYUKLPCBXAP-IYBDPMFKSA-N 2 1 278.440 2.221 20 30 CEEDMP C=CCCCC[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000649382149 396135681 /nfs/dbraw/zinc/13/56/81/396135681.db2.gz OFULKDWUIOYQQK-MRXNPFEDSA-N 2 1 265.445 2.055 20 30 CEEDMP C[N@@H+](CCOc1ccc(C#N)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285416738 196278241 /nfs/dbraw/zinc/27/82/41/196278241.db2.gz GIOZDXBEHTZNEC-SJPCQFCGSA-N 2 1 299.418 2.494 20 30 CEEDMP C[NH+](CCOc1ccc(C#N)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285416738 196278242 /nfs/dbraw/zinc/27/82/42/196278242.db2.gz GIOZDXBEHTZNEC-SJPCQFCGSA-N 2 1 299.418 2.494 20 30 CEEDMP C[NH+](CCOc1ccc(C#N)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285416738 196278244 /nfs/dbraw/zinc/27/82/44/196278244.db2.gz GIOZDXBEHTZNEC-SJPCQFCGSA-N 2 1 299.418 2.494 20 30 CEEDMP C=CCOCC[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660679897 414932931 /nfs/dbraw/zinc/93/29/31/414932931.db2.gz QUYLALWTHRPYDR-UHFFFAOYSA-N 2 1 274.408 2.443 20 30 CEEDMP C=CC[C@]1(C(=O)NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)CCC[NH2+]1 ZINC000662680425 415929467 /nfs/dbraw/zinc/92/94/67/415929467.db2.gz VAEAWRNLIZNABS-ZMSDIMECSA-N 2 1 293.455 2.064 20 30 CEEDMP C#CC[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccccc1 ZINC000298399634 260153579 /nfs/dbraw/zinc/15/35/79/260153579.db2.gz LUXUPNPRRVNFGL-MRXNPFEDSA-N 2 1 253.349 2.317 20 30 CEEDMP C[NH+]=C(NCc1cccs1)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000158456485 261165452 /nfs/dbraw/zinc/16/54/52/261165452.db2.gz CSAMTBNRYZHZLH-JSGCOSHPSA-N 2 1 294.468 2.142 20 30 CEEDMP CC[NH+]1CC[C@H]([N@@H+](C)CCCSCC#N)[C@H](C)C1 ZINC000175721195 261241859 /nfs/dbraw/zinc/24/18/59/261241859.db2.gz ZOZTXVMGDPRNDJ-KGLIPLIRSA-N 2 1 269.458 2.295 20 30 CEEDMP C[N@H+]1CCC[C@@H]2CN(CC#Cc3ccccc3)CC[C@H]21 ZINC000248843581 261203087 /nfs/dbraw/zinc/20/30/87/261203087.db2.gz MKOYQNNHWYVIFO-QZTJIDSGSA-N 2 1 268.404 2.454 20 30 CEEDMP C[N@@H+]1CCC[C@@H]2C[NH+](CC#Cc3ccccc3)CC[C@H]21 ZINC000248843581 261203089 /nfs/dbraw/zinc/20/30/89/261203089.db2.gz MKOYQNNHWYVIFO-QZTJIDSGSA-N 2 1 268.404 2.454 20 30 CEEDMP C[N@H+]1CCC[C@@H]2C[NH+](CC#Cc3ccccc3)CC[C@H]21 ZINC000248843581 261203092 /nfs/dbraw/zinc/20/30/92/261203092.db2.gz MKOYQNNHWYVIFO-QZTJIDSGSA-N 2 1 268.404 2.454 20 30 CEEDMP C[NH+]1CCC[C@@H]2C[N@H+](CC#Cc3ccccc3)CC[C@H]21 ZINC000248843581 261203093 /nfs/dbraw/zinc/20/30/93/261203093.db2.gz MKOYQNNHWYVIFO-QZTJIDSGSA-N 2 1 268.404 2.454 20 30 CEEDMP C[NH+]1CCC[C@@H]2C[N@@H+](CC#Cc3ccccc3)CC[C@H]21 ZINC000248843581 261203095 /nfs/dbraw/zinc/20/30/95/261203095.db2.gz MKOYQNNHWYVIFO-QZTJIDSGSA-N 2 1 268.404 2.454 20 30 CEEDMP CC[NH+]1CC[C@H]([N@H+](C)CCCSCC#N)[C@H](C)C1 ZINC000175721195 261241857 /nfs/dbraw/zinc/24/18/57/261241857.db2.gz ZOZTXVMGDPRNDJ-KGLIPLIRSA-N 2 1 269.458 2.295 20 30 CEEDMP CC[N@H+]1CC[C@H]([NH+](C)CCCSCC#N)[C@H](C)C1 ZINC000175721195 261241856 /nfs/dbraw/zinc/24/18/56/261241856.db2.gz ZOZTXVMGDPRNDJ-KGLIPLIRSA-N 2 1 269.458 2.295 20 30 CEEDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185770509 262069657 /nfs/dbraw/zinc/06/96/57/262069657.db2.gz HATABNJNSMDAJC-VHDGCEQUSA-N 2 1 260.385 2.500 20 30 CEEDMP CC(C)c1cccc(NC(=[NH2+])NC[C@H](C)[NH+](C)C)c1 ZINC000264110754 262873386 /nfs/dbraw/zinc/87/33/86/262873386.db2.gz QUJDAAQVNJQMLS-LBPRGKRZSA-N 2 1 262.401 2.487 20 30 CEEDMP C=CCOc1ccccc1C[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000414943600 263153039 /nfs/dbraw/zinc/15/30/39/263153039.db2.gz FOXJREHGEYMWEB-UKRRQHHQSA-N 2 1 260.381 2.482 20 30 CEEDMP C=CCOc1ccccc1C[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000414952685 263158115 /nfs/dbraw/zinc/15/81/15/263158115.db2.gz IPHJMCGATAIILY-HIFRSBDPSA-N 2 1 260.381 2.339 20 30 CEEDMP C=CCOc1cccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000357101852 266248176 /nfs/dbraw/zinc/24/81/76/266248176.db2.gz FEDSSVMVZOPTPX-JKSUJKDBSA-N 2 1 272.392 2.293 20 30 CEEDMP C=CCOc1cccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000357101852 266248179 /nfs/dbraw/zinc/24/81/79/266248179.db2.gz FEDSSVMVZOPTPX-JKSUJKDBSA-N 2 1 272.392 2.293 20 30 CEEDMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2ccc(C#N)cc2)C1 ZINC000459738388 267338228 /nfs/dbraw/zinc/33/82/28/267338228.db2.gz RRGOLHNVDPFMRN-MRXNPFEDSA-N 2 1 257.381 2.380 20 30 CEEDMP C[NH+]=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)NC1CCC1 ZINC000262427702 328150152 /nfs/dbraw/zinc/15/01/52/328150152.db2.gz ICLHPZKDMOOJGQ-AWEZNQCLSA-N 2 1 290.411 2.134 20 30 CEEDMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CCC[C@@H](C#N)C2)CC1 ZINC000185777346 329331503 /nfs/dbraw/zinc/33/15/03/329331503.db2.gz FPCIZMCQNYFEIM-IAGOWNOFSA-N 2 1 292.471 2.076 20 30 CEEDMP Cc1ccc([C@@H](CNC(=[NH2+])NC(C)C)[NH+]2CCCC2)o1 ZINC000262026093 329998636 /nfs/dbraw/zinc/99/86/36/329998636.db2.gz ZNGNXKIFMHRUOU-CYBMUJFWSA-N 2 1 278.400 2.038 20 30 CEEDMP CC[NH+]=C(NCC[N@H+](C)C1CC1)N1CCc2ccccc21 ZINC000263075829 330042388 /nfs/dbraw/zinc/04/23/88/330042388.db2.gz CKVRAVWEIODNNN-UHFFFAOYSA-N 2 1 286.423 2.109 20 30 CEEDMP CC[NH+]=C(NCC[N@@H+](C)C1CC1)N1CCc2ccccc21 ZINC000263075829 330042389 /nfs/dbraw/zinc/04/23/89/330042389.db2.gz CKVRAVWEIODNNN-UHFFFAOYSA-N 2 1 286.423 2.109 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000491209499 332166394 /nfs/dbraw/zinc/16/63/94/332166394.db2.gz IALAJBDNLZMUFP-XOBRGWDASA-N 2 1 292.448 2.030 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000491209499 332166395 /nfs/dbraw/zinc/16/63/95/332166395.db2.gz IALAJBDNLZMUFP-XOBRGWDASA-N 2 1 292.448 2.030 20 30 CEEDMP C#CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000491711259 332302623 /nfs/dbraw/zinc/30/26/23/332302623.db2.gz WBIQNJFSGZFVTJ-AWEZNQCLSA-N 2 1 262.422 2.443 20 30 CEEDMP C#CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000491711259 332302624 /nfs/dbraw/zinc/30/26/24/332302624.db2.gz WBIQNJFSGZFVTJ-AWEZNQCLSA-N 2 1 262.422 2.443 20 30 CEEDMP C#CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000491711259 332302625 /nfs/dbraw/zinc/30/26/25/332302625.db2.gz WBIQNJFSGZFVTJ-AWEZNQCLSA-N 2 1 262.422 2.443 20 30 CEEDMP C#CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000491711259 332302627 /nfs/dbraw/zinc/30/26/27/332302627.db2.gz WBIQNJFSGZFVTJ-AWEZNQCLSA-N 2 1 262.422 2.443 20 30 CEEDMP C#C[C@H](C)[N@H+](C)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000491815565 332366739 /nfs/dbraw/zinc/36/67/39/332366739.db2.gz UZLKGDQGNJIJFK-LBPRGKRZSA-N 2 1 254.337 2.029 20 30 CEEDMP C#C[C@H](C)[N@@H+](C)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000491815565 332366741 /nfs/dbraw/zinc/36/67/41/332366741.db2.gz UZLKGDQGNJIJFK-LBPRGKRZSA-N 2 1 254.337 2.029 20 30 CEEDMP C#CC[NH+]1CCC(c2nc(C3([NH3+])CCCCC3)no2)CC1 ZINC000491818332 332368628 /nfs/dbraw/zinc/36/86/28/332368628.db2.gz LDADXHSEWIQJKV-UHFFFAOYSA-N 2 1 288.395 2.000 20 30 CEEDMP C[N@@H+](CCNC(=[NH2+])NCCc1cccs1)C1CCCC1 ZINC000304743454 622632509 /nfs/dbraw/zinc/63/25/09/622632509.db2.gz DBUSZFIGVWZDHW-UHFFFAOYSA-N 2 1 294.468 2.069 20 30 CEEDMP CCC1(CC)CCN(C(NC[C@H]2CC[N@@H+](C)C2)=[NH+]C)C1 ZINC000261987266 624111462 /nfs/dbraw/zinc/11/14/62/624111462.db2.gz QLMGDBNXFBUXCW-CQSZACIVSA-N 2 1 280.460 2.026 20 30 CEEDMP CCCCCCCCNC(=[NH2+])NC[C@H](C)[NH+](C)C ZINC000848996737 624546462 /nfs/dbraw/zinc/54/64/62/624546462.db2.gz VRCLDTAUXXRUJG-ZDUSSCGKSA-N 2 1 256.438 2.411 20 30 CEEDMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]CC#Cc2ccccc2)C1 ZINC000051814409 624594580 /nfs/dbraw/zinc/59/45/80/624594580.db2.gz WZTDVFZGKRLPML-KRWDZBQOSA-N 2 1 256.393 2.358 20 30 CEEDMP CC(C)[N@H+]1CC[C@@H](C[NH2+]CC#Cc2ccccc2)C1 ZINC000051814409 624594591 /nfs/dbraw/zinc/59/45/91/624594591.db2.gz WZTDVFZGKRLPML-KRWDZBQOSA-N 2 1 256.393 2.358 20 30 CEEDMP C=CC[NH+]1CCC(NCc2cnc(F)c(C)c2)CC1 ZINC000892881341 627827764 /nfs/dbraw/zinc/82/77/64/627827764.db2.gz UMBOGIOUNWGQHT-UHFFFAOYSA-N 2 1 263.360 2.269 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+]Cc1cccc2cccnc21 ZINC000328175346 627861991 /nfs/dbraw/zinc/86/19/91/627861991.db2.gz LRRHAWIASOPDQG-UHFFFAOYSA-N 2 1 267.376 2.280 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1cccc2cccnc21 ZINC000328175346 627861993 /nfs/dbraw/zinc/86/19/93/627861993.db2.gz LRRHAWIASOPDQG-UHFFFAOYSA-N 2 1 267.376 2.280 20 30 CEEDMP Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)cc1C#N ZINC000925841929 628944833 /nfs/dbraw/zinc/94/48/33/628944833.db2.gz VBHBILKKUGFUHH-KZNAEPCWSA-N 2 1 299.418 2.113 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1 ZINC000815652633 633043608 /nfs/dbraw/zinc/04/36/08/633043608.db2.gz KPIICKTUYDDDRD-AWEZNQCLSA-N 2 1 281.403 2.180 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1 ZINC000815652633 633043613 /nfs/dbraw/zinc/04/36/13/633043613.db2.gz KPIICKTUYDDDRD-AWEZNQCLSA-N 2 1 281.403 2.180 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1C[C@H](OC(C)C)C1(C)C ZINC000815652206 633044458 /nfs/dbraw/zinc/04/44/58/633044458.db2.gz UGLJAIXAWPRVMY-GJZGRUSLSA-N 2 1 266.429 2.123 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1C[C@H](OC(C)C)C1(C)C ZINC000815652206 633044466 /nfs/dbraw/zinc/04/44/66/633044466.db2.gz UGLJAIXAWPRVMY-GJZGRUSLSA-N 2 1 266.429 2.123 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](O)c2ccccc2F)CC1 ZINC000819024273 634044239 /nfs/dbraw/zinc/04/42/39/634044239.db2.gz NDFIMLBHIRUAMG-QGZVFWFLSA-N 2 1 292.398 2.489 20 30 CEEDMP C[C@@](C[NH3+])([NH2+]Cc1cc(Cl)cc(C#N)c1)C1CC1 ZINC000903427114 635112812 /nfs/dbraw/zinc/11/28/12/635112812.db2.gz TXLCZJWJSORCKF-AWEZNQCLSA-N 2 1 263.772 2.429 20 30 CEEDMP C[N@@H+](CCc1cccc(C#N)c1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903476407 635146104 /nfs/dbraw/zinc/14/61/04/635146104.db2.gz WBDTXPQPBVJDEG-CVEARBPZSA-N 2 1 257.381 2.160 20 30 CEEDMP N#Cc1ccc(N2CC[NH+](C[C@@H]3CCCC[NH2+]C3)CC2)cc1 ZINC000903779435 635266036 /nfs/dbraw/zinc/26/60/36/635266036.db2.gz ZFVKOORKCMRLSR-QGZVFWFLSA-N 2 1 298.434 2.070 20 30 CEEDMP C=CCOc1ccc(C[N@H+]2CC[C@H](CC[NH3+])C2)cc1OC ZINC000904411267 635619570 /nfs/dbraw/zinc/61/95/70/635619570.db2.gz SZYUKMCIJSRXPB-AWEZNQCLSA-N 2 1 290.407 2.431 20 30 CEEDMP N#Cc1cnc(Cl)c(CNC[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000876929072 650490473 /nfs/dbraw/zinc/49/04/73/650490473.db2.gz GIGGEGNTJYFCFJ-LLVKDONJSA-N 2 1 290.798 2.181 20 30 CEEDMP CCCCCCC[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000842478228 640077121 /nfs/dbraw/zinc/07/71/21/640077121.db2.gz FUUSVAZEBNKQTD-OAHLLOKOSA-N 2 1 279.432 2.344 20 30 CEEDMP CCCCCCC[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000843377443 640410423 /nfs/dbraw/zinc/41/04/23/640410423.db2.gz WGMBHHLTTOUFOP-OAHLLOKOSA-N 2 1 283.460 2.276 20 30 CEEDMP CN(C(=[NH2+])NC[C@H]1CCC[N@H+]1CC1CCCCC1)C1CC1 ZINC000181478931 641556822 /nfs/dbraw/zinc/55/68/22/641556822.db2.gz MSWLUTQUOXCUFY-MRXNPFEDSA-N 2 1 292.471 2.440 20 30 CEEDMP C[NH+]=C(NCc1ccco1)NC[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000848987037 642209099 /nfs/dbraw/zinc/20/90/99/642209099.db2.gz GXZQROIOQQGWFK-KGLIPLIRSA-N 2 1 292.427 2.208 20 30 CEEDMP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC000999306662 642478427 /nfs/dbraw/zinc/47/84/27/642478427.db2.gz LAEUFZAJIXNHJD-HZPDHXFCSA-N 2 1 293.455 2.018 20 30 CEEDMP CCCCCCCC[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000110459462 643346345 /nfs/dbraw/zinc/34/63/45/643346345.db2.gz QBQKIEUYDURIML-UHFFFAOYSA-N 2 1 255.450 2.184 20 30 CEEDMP C=CC[C@H](C(=O)OC)[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000878047614 650983428 /nfs/dbraw/zinc/98/34/28/650983428.db2.gz IWNOJCBSWNAXTD-OAHLLOKOSA-N 2 1 282.428 2.156 20 30 CEEDMP C[NH+]1CCC([NH2+]C2CCN(c3ccccc3C#N)CC2)CC1 ZINC000865696603 647428144 /nfs/dbraw/zinc/42/81/44/647428144.db2.gz HCJIMMXLWHWHCK-UHFFFAOYSA-N 2 1 298.434 2.211 20 30 CEEDMP CC[N@H+]1CC[C@H]([NH2+][C@H]2Cc3ccc(C#N)cc3C2)[C@@H](C)C1 ZINC000866616366 647843414 /nfs/dbraw/zinc/84/34/14/647843414.db2.gz XTTUREFFQUXNPA-KKXDTOCCSA-N 2 1 283.419 2.345 20 30 CEEDMP C=CCOc1ccccc1C[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000873227874 649599648 /nfs/dbraw/zinc/59/96/48/649599648.db2.gz MLKVJSMXNBFYHJ-DOTOQJQBSA-N 2 1 272.392 2.293 20 30 CEEDMP C=CCOc1ccccc1C[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000873227874 649599652 /nfs/dbraw/zinc/59/96/52/649599652.db2.gz MLKVJSMXNBFYHJ-DOTOQJQBSA-N 2 1 272.392 2.293 20 30 CEEDMP Cc1cc(C#N)ccc1C[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879583743 651327266 /nfs/dbraw/zinc/32/72/66/651327266.db2.gz ZQGODRSLDFXQDI-DLBZAZTESA-N 2 1 269.392 2.393 20 30 CEEDMP Cc1cc(C#N)ccc1C[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879583743 651327267 /nfs/dbraw/zinc/32/72/67/651327267.db2.gz ZQGODRSLDFXQDI-DLBZAZTESA-N 2 1 269.392 2.393 20 30 CEEDMP Cc1cc(C#N)ccc1C[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879583743 651327269 /nfs/dbraw/zinc/32/72/69/651327269.db2.gz ZQGODRSLDFXQDI-DLBZAZTESA-N 2 1 269.392 2.393 20 30 CEEDMP Cc1cc(C#N)ccc1C[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879583743 651327271 /nfs/dbraw/zinc/32/72/71/651327271.db2.gz ZQGODRSLDFXQDI-DLBZAZTESA-N 2 1 269.392 2.393 20 30 CEEDMP FC[C@H]1CCC[NH+](CC#CC[N@@H+]2CCC[C@H](CF)C2)C1 ZINC000880236929 651406342 /nfs/dbraw/zinc/40/63/42/651406342.db2.gz MJKVQGMFQZAKKC-HZPDHXFCSA-N 2 1 284.394 2.353 20 30 CEEDMP C=CCC[C@@H]([NH2+]C1CC[NH+](C)CC1)[C@@H]1CCCO1 ZINC000883166918 652385961 /nfs/dbraw/zinc/38/59/61/652385961.db2.gz LPWSVUFCGXHKBT-CABCVRRESA-N 2 1 252.402 2.184 20 30 CEEDMP C=CC[NH+]1CCN(c2cc3[nH]ccc3c(C)[nH+]2)CC1 ZINC001165032063 721869534 /nfs/dbraw/zinc/86/95/34/721869534.db2.gz FRBBFLSAXAWFLI-UHFFFAOYSA-N 2 1 256.353 2.179 20 30 CEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@H]1CC ZINC001087658567 805766041 /nfs/dbraw/zinc/76/60/41/805766041.db2.gz LAZCMXQRPZKYAF-JKSUJKDBSA-N 2 1 298.390 2.103 20 30 CEEDMP C=C(C)CC[NH2+]CCCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001168030051 805821294 /nfs/dbraw/zinc/82/12/94/805821294.db2.gz MCGXBPZLBTUPAT-CVEARBPZSA-N 2 1 293.455 2.065 20 30 CEEDMP C=CCCC[NH2+]C1CCN(C(=O)CC[N@H+](C)CCC)CC1 ZINC001203443223 805836776 /nfs/dbraw/zinc/83/67/76/805836776.db2.gz RAQSJVBRPHOSAM-UHFFFAOYSA-N 2 1 295.471 2.265 20 30 CEEDMP C=C(C)CC[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)C(C)C ZINC001271861055 806120615 /nfs/dbraw/zinc/12/06/15/806120615.db2.gz LNKPUHZAXUGBTQ-HOTGVXAUSA-N 2 1 295.471 2.167 20 30 CEEDMP C=C(C)CC[NH2+][C@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)C(C)C ZINC001271902970 806135691 /nfs/dbraw/zinc/13/56/91/806135691.db2.gz TZIWEOQJGFGHHE-HZPDHXFCSA-N 2 1 295.471 2.025 20 30 CEEDMP C=C(C)CC[N@H+](C)CCN(C)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001272178096 806570016 /nfs/dbraw/zinc/57/00/16/806570016.db2.gz BJKQGZRZQJHVBW-HZPDHXFCSA-N 2 1 295.471 2.216 20 30 CEEDMP C[N@@H+](CCCCCC[NH3+])C[C@H](O)c1ccc(C#N)cc1 ZINC000710800348 809994355 /nfs/dbraw/zinc/99/43/55/809994355.db2.gz WDDWMFOLNUGHKZ-INIZCTEOSA-N 2 1 275.396 2.043 20 30 CEEDMP C=C(C)CC[NH2+]CCCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001167627241 803217275 /nfs/dbraw/zinc/21/72/75/803217275.db2.gz MUUGMXLSKJBJMZ-MRXNPFEDSA-N 2 1 295.471 2.311 20 30 CEEDMP C[C@H]1C[N@H+](Cc2ccc(C#N)cc2Cl)C[C@H]1C[NH3+] ZINC000708847609 803566108 /nfs/dbraw/zinc/56/61/08/803566108.db2.gz BQFNCBUMYPGZOJ-GXFFZTMASA-N 2 1 263.772 2.238 20 30 CEEDMP C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2Cl)C[C@H]1C[NH3+] ZINC000708847609 803566111 /nfs/dbraw/zinc/56/61/11/803566111.db2.gz BQFNCBUMYPGZOJ-GXFFZTMASA-N 2 1 263.772 2.238 20 30 CEEDMP C[C@H]1C[C@H]([NH2+]C2CC(C#N)(c3ccccc3)C2)CC[NH2+]1 ZINC001118121848 814986046 /nfs/dbraw/zinc/98/60/46/814986046.db2.gz JUDIWEPYZMUYBY-DFULUXCASA-N 2 1 269.392 2.340 20 30 CEEDMP C=CCC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001028334465 804718027 /nfs/dbraw/zinc/71/80/27/804718027.db2.gz AQBZTSVEJNOGOO-HOTGVXAUSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)C[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001268691251 804929602 /nfs/dbraw/zinc/92/96/02/804929602.db2.gz RJMRWRJZZKZSME-GOEBONIOSA-N 2 1 293.455 2.064 20 30 CEEDMP C=C(C)CC[NH2+][C@H](CC)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001269402147 805153928 /nfs/dbraw/zinc/15/39/28/805153928.db2.gz JDHPGBROOIVHBO-CVEARBPZSA-N 2 1 295.471 2.310 20 30 CEEDMP C=CC[NH2+]C[C@]1(NC(=O)CC[N@H+](C)CC)CCCC[C@@H]1C ZINC001269677253 805227397 /nfs/dbraw/zinc/22/73/97/805227397.db2.gz OZFSUHWVMMZGNG-DOTOQJQBSA-N 2 1 295.471 2.169 20 30 CEEDMP C=CCCC[NH+]1CCC(CNC(=O)CC[N@H+](C)CC)CC1 ZINC001225080226 807137726 /nfs/dbraw/zinc/13/77/26/807137726.db2.gz FXEKZXDUGAXKNS-UHFFFAOYSA-N 2 1 295.471 2.123 20 30 CEEDMP C#Cc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)cc1 ZINC001237406354 808216244 /nfs/dbraw/zinc/21/62/44/808216244.db2.gz UHXRTSWRQFTDRY-IAGOWNOFSA-N 2 1 254.377 2.242 20 30 CEEDMP C#Cc1ccc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)cc1 ZINC001237406354 808216253 /nfs/dbraw/zinc/21/62/53/808216253.db2.gz UHXRTSWRQFTDRY-IAGOWNOFSA-N 2 1 254.377 2.242 20 30 CEEDMP CC(C)C[N@@H+](C)CCC[NH2+]C[C@@H](O)c1ccc(C#N)cc1 ZINC001120596975 815242874 /nfs/dbraw/zinc/24/28/74/815242874.db2.gz NTZJNVLZOPCLFW-QGZVFWFLSA-N 2 1 289.423 2.159 20 30 CEEDMP C=C(C)CC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001272978375 809043651 /nfs/dbraw/zinc/04/36/51/809043651.db2.gz RPERZWVIHCVIFD-PMPSAXMXSA-N 2 1 295.471 2.167 20 30 CEEDMP COCCCN1CCC([NH+]2CCC(C)(C#N)CC2)CC1 ZINC001172253168 815360078 /nfs/dbraw/zinc/36/00/78/815360078.db2.gz FLDMESXPJDRXMZ-UHFFFAOYSA-N 2 1 279.428 2.113 20 30 CEEDMP COCCC[NH+]1CCC([NH+]2CCC(C)(C#N)CC2)CC1 ZINC001172253168 815360083 /nfs/dbraw/zinc/36/00/83/815360083.db2.gz FLDMESXPJDRXMZ-UHFFFAOYSA-N 2 1 279.428 2.113 20 30 CEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001015796005 810357226 /nfs/dbraw/zinc/35/72/26/810357226.db2.gz UKTGCISWCGGOPK-HOTGVXAUSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCC[C@@H](C)[NH+]1CCC(NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001230374390 810539496 /nfs/dbraw/zinc/53/94/96/810539496.db2.gz VHYWCKRYGQERGG-OAHLLOKOSA-N 2 1 295.471 2.262 20 30 CEEDMP C[C@@H](Cc1ccc(C#N)cc1)n1c[nH+]cc1CC[NH3+] ZINC001172289746 815382113 /nfs/dbraw/zinc/38/21/13/815382113.db2.gz HBATWGKNWDZDTB-LBPRGKRZSA-N 2 1 254.337 2.060 20 30 CEEDMP C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccn2c[nH+]cc2c1 ZINC001085699882 810881105 /nfs/dbraw/zinc/88/11/05/810881105.db2.gz YBZADPYWPJRSKT-OAHLLOKOSA-N 2 1 298.390 2.057 20 30 CEEDMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)C2 ZINC001169101339 811373605 /nfs/dbraw/zinc/37/36/05/811373605.db2.gz RGFOKEQHHVFQCX-QKDCVEJESA-N 2 1 273.355 2.412 20 30 CEEDMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)C2 ZINC001169101339 811373616 /nfs/dbraw/zinc/37/36/16/811373616.db2.gz RGFOKEQHHVFQCX-QKDCVEJESA-N 2 1 273.355 2.412 20 30 CEEDMP C=CC[N@@H+]1CCC[C@@H]1c1ccc(-n2nncc2C[NH3+])cc1 ZINC001169311153 811484343 /nfs/dbraw/zinc/48/43/43/811484343.db2.gz DFWHFGGSRYPNBX-MRXNPFEDSA-N 2 1 283.379 2.049 20 30 CEEDMP C#Cc1cccc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)c1 ZINC001206014718 811616741 /nfs/dbraw/zinc/61/67/41/811616741.db2.gz XYKOIRWGTLNBBR-RHSMWYFYSA-N 2 1 256.393 2.475 20 30 CEEDMP C=CCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001169797296 811664555 /nfs/dbraw/zinc/66/45/55/811664555.db2.gz CZGZLIQQVCPUQI-CVEARBPZSA-N 2 1 295.471 2.311 20 30 CEEDMP C=CCC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001046314582 811733727 /nfs/dbraw/zinc/73/37/27/811733727.db2.gz DKNZPFBTFTXVMM-RDJZCZTQSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CCC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001046314582 811733728 /nfs/dbraw/zinc/73/37/28/811733728.db2.gz DKNZPFBTFTXVMM-RDJZCZTQSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)CCC)C2 ZINC001110022421 811984987 /nfs/dbraw/zinc/98/49/87/811984987.db2.gz XEWDOSHQDCSYAJ-PMPSAXMXSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)CCC)C2 ZINC001110022421 811984989 /nfs/dbraw/zinc/98/49/89/811984989.db2.gz XEWDOSHQDCSYAJ-PMPSAXMXSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CCC[C@H](C)[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001159335163 813354449 /nfs/dbraw/zinc/35/44/49/813354449.db2.gz TXYXWGRLQFTFFO-JKSUJKDBSA-N 2 1 295.471 2.311 20 30 CEEDMP C=CC[N@@H+]1CCC[C@H]1c1ccc(N[C@@]([NH3+])(CC)CO)cc1 ZINC001170866831 813563765 /nfs/dbraw/zinc/56/37/65/813563765.db2.gz ZTMBZLUUAKFLIR-IRXDYDNUSA-N 2 1 289.423 2.479 20 30 CEEDMP C[C@H](Cc1cccc(C#N)c1)[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC001171202775 814134723 /nfs/dbraw/zinc/13/47/23/814134723.db2.gz GANSFIROVXDVOB-VBQJREDUSA-N 2 1 271.408 2.419 20 30 CEEDMP C[C@H](Cc1cccc(C#N)c1)[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC001171202775 814134728 /nfs/dbraw/zinc/13/47/28/814134728.db2.gz GANSFIROVXDVOB-VBQJREDUSA-N 2 1 271.408 2.419 20 30 CEEDMP NC(=O)c1ccc(C(=[NH2+])Nc2cc[nH+]c(C3CC3)c2)cc1 ZINC001171258508 814237975 /nfs/dbraw/zinc/23/79/75/814237975.db2.gz BBEANRLKNMNZEJ-UHFFFAOYSA-N 2 1 280.331 2.095 20 30 CEEDMP C=C(C)CC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001146595220 814298632 /nfs/dbraw/zinc/29/86/32/814298632.db2.gz XQZULDLBSBNQSG-CABCVRRESA-N 2 1 283.460 2.166 20 30 CEEDMP C=CC[NH2+]C1(CNC(=O)C[N@@H+]2CCC[C@H]2C)CCCCC1 ZINC001115729388 814751729 /nfs/dbraw/zinc/75/17/29/814751729.db2.gz DHSPASOPJLRAQX-OAHLLOKOSA-N 2 1 293.455 2.065 20 30 CEEDMP Cc1cc(C#N)ccc1C[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206196641 815625025 /nfs/dbraw/zinc/62/50/25/815625025.db2.gz CJDGACICFOSVMK-HUUCEWRRSA-N 2 1 261.344 2.128 20 30 CEEDMP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001175256772 816163020 /nfs/dbraw/zinc/16/30/20/816163020.db2.gz OJDPQCVBWDWPQC-HOTGVXAUSA-N 2 1 295.471 2.311 20 30 CEEDMP C=CCCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001176563620 816441256 /nfs/dbraw/zinc/44/12/56/816441256.db2.gz GGMXYBGQFOGPGA-HOTGVXAUSA-N 2 1 295.471 2.169 20 30 CEEDMP C=CC[NH2+]CCCCCCNC(=O)C(C)(C)[N@H+](C)CC ZINC001178853961 816804416 /nfs/dbraw/zinc/80/44/16/816804416.db2.gz QVYJBCNEOSDUJV-UHFFFAOYSA-N 2 1 283.460 2.169 20 30 CEEDMP C=CCC[NH2+][C@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)[C@H]1C ZINC001178925794 816810214 /nfs/dbraw/zinc/81/02/14/816810214.db2.gz KBALDLCDTXXSDH-XHSDSOJGSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CCC[NH2+]CCCCCCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001179591287 816880605 /nfs/dbraw/zinc/88/06/05/816880605.db2.gz SOZJBIGNCRMVMV-HZPDHXFCSA-N 2 1 295.471 2.026 20 30 CEEDMP N#Cc1ccc(C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000601335111 346823670 /nfs/dbraw/zinc/82/36/70/346823670.db2.gz QGJLJEFFNOJMTO-CVEARBPZSA-N 2 1 255.365 2.132 20 30 CEEDMP N#Cc1ccc(C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000601335111 346823671 /nfs/dbraw/zinc/82/36/71/346823671.db2.gz QGJLJEFFNOJMTO-CVEARBPZSA-N 2 1 255.365 2.132 20 30 CEEDMP N#Cc1ccc(C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)cc1 ZINC000601335113 346823751 /nfs/dbraw/zinc/82/37/51/346823751.db2.gz QGJLJEFFNOJMTO-HZPDHXFCSA-N 2 1 255.365 2.132 20 30 CEEDMP N#Cc1ccc(C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)cc1 ZINC000601335113 346823753 /nfs/dbraw/zinc/82/37/53/346823753.db2.gz QGJLJEFFNOJMTO-HZPDHXFCSA-N 2 1 255.365 2.132 20 30 CEEDMP N#Cc1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000037140860 361898859 /nfs/dbraw/zinc/89/88/59/361898859.db2.gz IWEIFBSVFJLTMF-UHFFFAOYSA-N 2 1 255.365 2.275 20 30 CEEDMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000333221428 136385358 /nfs/dbraw/zinc/38/53/58/136385358.db2.gz ACARPIAGMMJVJF-KDOFPFPSSA-N 2 1 298.434 2.115 20 30 CEEDMP N#Cc1cccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000252847247 344641894 /nfs/dbraw/zinc/64/18/94/344641894.db2.gz FXYZIXCOGHJHRE-HRCADAONSA-N 2 1 255.365 2.117 20 30 CEEDMP CC[C@H](C)[N@H+](C)CC[NH2+][C@H](C)CC1(C#N)CCOCC1 ZINC000602534327 347069581 /nfs/dbraw/zinc/06/95/81/347069581.db2.gz SPXWWIXNHPAHGK-CABCVRRESA-N 2 1 281.444 2.405 20 30 CEEDMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H](C)CC1(C#N)CCOCC1 ZINC000602534327 347069584 /nfs/dbraw/zinc/06/95/84/347069584.db2.gz SPXWWIXNHPAHGK-CABCVRRESA-N 2 1 281.444 2.405 20 30 CEEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000602546021 347071942 /nfs/dbraw/zinc/07/19/42/347071942.db2.gz AVJJHJDRKNIBDY-HUUCEWRRSA-N 2 1 279.428 2.017 20 30 CEEDMP COc1cc(C[N@H+](C2CC2)C2CC[NH2+]CC2)ccc1C#N ZINC000592424780 345351807 /nfs/dbraw/zinc/35/18/07/345351807.db2.gz ZMYBAVHDZWVWGW-UHFFFAOYSA-N 2 1 285.391 2.283 20 30 CEEDMP COc1cc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)ccc1C#N ZINC000592424780 345351811 /nfs/dbraw/zinc/35/18/11/345351811.db2.gz ZMYBAVHDZWVWGW-UHFFFAOYSA-N 2 1 285.391 2.283 20 30 CEEDMP COc1cc(CNC[C@@H]2CCCC[N@@H+](C)C2)ccc1C#N ZINC000598994350 346443609 /nfs/dbraw/zinc/44/36/09/346443609.db2.gz KPEZGYMLYDJUFC-HNNXBMFYSA-N 2 1 287.407 2.388 20 30 CEEDMP COc1cc(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)ccc1C#N ZINC000598994350 346443611 /nfs/dbraw/zinc/44/36/11/346443611.db2.gz KPEZGYMLYDJUFC-HNNXBMFYSA-N 2 1 287.407 2.388 20 30 CEEDMP COc1cc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)ccc1C#N ZINC000598994350 346443614 /nfs/dbraw/zinc/44/36/14/346443614.db2.gz KPEZGYMLYDJUFC-HNNXBMFYSA-N 2 1 287.407 2.388 20 30 CEEDMP CN(CC[C@@H]1CCCC[N@H+]1C)Cc1ccnc(C#N)c1 ZINC000610994037 347728948 /nfs/dbraw/zinc/72/89/48/347728948.db2.gz RUZDDVQCYUXILI-INIZCTEOSA-N 2 1 272.396 2.259 20 30 CEEDMP C[NH+]=C(NCc1ccco1)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000130558399 365967265 /nfs/dbraw/zinc/96/72/65/365967265.db2.gz WYFJBTAPJGRVHT-CQSZACIVSA-N 2 1 292.427 2.065 20 30 CEEDMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(OCC#N)cc2)CC[N@H+]1C ZINC000157790941 188339728 /nfs/dbraw/zinc/33/97/28/188339728.db2.gz YMQZKSRGBYQAPV-ZFWWWQNUSA-N 2 1 273.380 2.161 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)CC(=O)N(CC)CC)CC1 ZINC000153028582 366725991 /nfs/dbraw/zinc/72/59/91/366725991.db2.gz RHFMFWCZLKRXTE-HNNXBMFYSA-N 2 1 295.471 2.264 20 30 CEEDMP COCCC[NH+]1CCC([NH2+]Cc2cccc(C#N)c2)CC1 ZINC000237201085 370700132 /nfs/dbraw/zinc/70/01/32/370700132.db2.gz NQBNWXWVZBZSJU-UHFFFAOYSA-N 2 1 287.407 2.149 20 30 CEEDMP C=C(C)[C@H](CO)[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000680401192 541408481 /nfs/dbraw/zinc/40/84/81/541408481.db2.gz IHDBEYHRQBBLCP-YCPHGPKFSA-N 2 1 266.429 2.166 20 30 CEEDMP CC1CC[NH+]([C@@H](CNC(=[NH2+])N(C)C)c2cccs2)CC1 ZINC000170906399 367445458 /nfs/dbraw/zinc/44/54/58/367445458.db2.gz LCYMUBNODCQOBC-ZDUSSCGKSA-N 2 1 294.468 2.397 20 30 CEEDMP C[NH+](C)CCOc1cccc(C[NH2+]Cc2ccc(C#N)o2)c1 ZINC000174277305 368006401 /nfs/dbraw/zinc/00/64/01/368006401.db2.gz HRVRFKMJVMEHIT-UHFFFAOYSA-N 2 1 299.374 2.381 20 30 CEEDMP C[NH+](C)C1(C[NH2+]CC(C)(C)CCC#N)CCOCC1 ZINC000174394413 368018917 /nfs/dbraw/zinc/01/89/17/368018917.db2.gz ZLIQVPJCMQHORO-UHFFFAOYSA-N 2 1 267.417 2.017 20 30 CEEDMP C=CCOc1ccc(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)cc1 ZINC000346678717 368766053 /nfs/dbraw/zinc/76/60/53/368766053.db2.gz LSVHLNBSFYSPQJ-ZFWWWQNUSA-N 2 1 260.381 2.421 20 30 CEEDMP C=CCOc1ccc(C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)cc1OC ZINC000346652677 368752942 /nfs/dbraw/zinc/75/29/42/368752942.db2.gz HVCKWZVGTMUJOE-ZFWWWQNUSA-N 2 1 290.407 2.429 20 30 CEEDMP C=C(CC)C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634716749 368837381 /nfs/dbraw/zinc/83/73/81/368837381.db2.gz ZBRTXOFZENEGAR-KRWDZBQOSA-N 2 1 274.408 2.179 20 30 CEEDMP C=C(CC)C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634716749 368837390 /nfs/dbraw/zinc/83/73/90/368837390.db2.gz ZBRTXOFZENEGAR-KRWDZBQOSA-N 2 1 274.408 2.179 20 30 CEEDMP C=C(C)CC[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000352050921 369662485 /nfs/dbraw/zinc/66/24/85/369662485.db2.gz WOIMPYBQJJJRBX-INIZCTEOSA-N 2 1 265.445 2.055 20 30 CEEDMP CC[N@H+]1CC[C@@H](N(C)Cc2cc(C#N)n(C)c2)[C@H](C)C1 ZINC000191396783 369709010 /nfs/dbraw/zinc/70/90/10/369709010.db2.gz AHRMFSMKXNAWQV-CZUORRHYSA-N 2 1 274.412 2.059 20 30 CEEDMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(C#N)n(C)c2)[C@H](C)C1 ZINC000191396783 369709017 /nfs/dbraw/zinc/70/90/17/369709017.db2.gz AHRMFSMKXNAWQV-CZUORRHYSA-N 2 1 274.412 2.059 20 30 CEEDMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(C#N)n(C)c2)[C@H](C)C1 ZINC000191396783 369709020 /nfs/dbraw/zinc/70/90/20/369709020.db2.gz AHRMFSMKXNAWQV-CZUORRHYSA-N 2 1 274.412 2.059 20 30 CEEDMP CCc1nccn1[C@H]1CCC[N@@H+](Cc2cc(C#N)n(C)c2)C1 ZINC000191343692 369703938 /nfs/dbraw/zinc/70/39/38/369703938.db2.gz LNVXQJVYVFPWLC-HNNXBMFYSA-N 2 1 297.406 2.493 20 30 CEEDMP C[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3C(C)(C)C#N)C[C@@H]2C1 ZINC000193653326 369968127 /nfs/dbraw/zinc/96/81/27/369968127.db2.gz IUJCKMLMLDTWEM-IYBDPMFKSA-N 2 1 283.419 2.481 20 30 CEEDMP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3C(C)(C)C#N)C[C@@H]2C1 ZINC000193653326 369968129 /nfs/dbraw/zinc/96/81/29/369968129.db2.gz IUJCKMLMLDTWEM-IYBDPMFKSA-N 2 1 283.419 2.481 20 30 CEEDMP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3C(C)(C)C#N)C[C@@H]2C1 ZINC000193653326 369968130 /nfs/dbraw/zinc/96/81/30/369968130.db2.gz IUJCKMLMLDTWEM-IYBDPMFKSA-N 2 1 283.419 2.481 20 30 CEEDMP C[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3C(C)(C)C#N)C[C@@H]2C1 ZINC000193653326 369968132 /nfs/dbraw/zinc/96/81/32/369968132.db2.gz IUJCKMLMLDTWEM-IYBDPMFKSA-N 2 1 283.419 2.481 20 30 CEEDMP C=C(C)[C@@H](CO)[NH+]1CCC(CC)([NH+]2CCCC2)CC1 ZINC000639985953 371714365 /nfs/dbraw/zinc/71/43/65/371714365.db2.gz GJEWFUARFVJIAU-OAHLLOKOSA-N 2 1 266.429 2.264 20 30 CEEDMP CCNC(=[NH2+])NC[C@H](c1cccc(OC)c1)[NH+](CC)CC ZINC000264059830 371959521 /nfs/dbraw/zinc/95/95/21/371959521.db2.gz CJDOGCJUACTBKU-OAHLLOKOSA-N 2 1 292.427 2.002 20 30 CEEDMP CCNC(=[NH2+])NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000264143659 371978842 /nfs/dbraw/zinc/97/88/42/371978842.db2.gz XGZFCIVCQMRKHE-AWEZNQCLSA-N 2 1 288.439 2.485 20 30 CEEDMP CCc1cccc(NC(=[NH2+])NCC[N@H+](CC)C2CC2)c1 ZINC000264299428 371990093 /nfs/dbraw/zinc/99/00/93/371990093.db2.gz RNCHJXRUNHONKW-UHFFFAOYSA-N 2 1 274.412 2.460 20 30 CEEDMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc(C#N)cc1F ZINC000269428694 372448288 /nfs/dbraw/zinc/44/82/88/372448288.db2.gz OPVGNSXSSRSJRC-UHFFFAOYSA-N 2 1 272.327 2.382 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)C(C)(C)n2cncn2)CC1 ZINC000280990021 375348504 /nfs/dbraw/zinc/34/85/04/375348504.db2.gz LSTRLBHLIXJCEC-CQSZACIVSA-N 2 1 291.443 2.032 20 30 CEEDMP Cc1nccn1CCC[N@H+](C)Cc1ccc(C#N)o1 ZINC000290393733 376760307 /nfs/dbraw/zinc/76/03/07/376760307.db2.gz IYLHOWGXGMWJOK-UHFFFAOYSA-N 2 1 258.325 2.178 20 30 CEEDMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc(C#N)o1 ZINC000290393733 376760317 /nfs/dbraw/zinc/76/03/17/376760317.db2.gz IYLHOWGXGMWJOK-UHFFFAOYSA-N 2 1 258.325 2.178 20 30 CEEDMP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccc(C#N)cc1F ZINC000423206066 377122080 /nfs/dbraw/zinc/12/20/80/377122080.db2.gz FRWIUQMNRQMHPW-DGCLKSJQSA-N 2 1 261.344 2.348 20 30 CEEDMP COc1cc(C#N)ccc1CN1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000292925387 377354617 /nfs/dbraw/zinc/35/46/17/377354617.db2.gz IPZHLURPASLUQO-GOSISDBHSA-N 2 1 299.418 2.485 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](CC)c1ccccc1O ZINC000295105034 378041454 /nfs/dbraw/zinc/04/14/54/378041454.db2.gz WNXFEYXLLOOFAX-OAHLLOKOSA-N 2 1 260.381 2.388 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@H](CC)c1ccccc1O ZINC000295105034 378041458 /nfs/dbraw/zinc/04/14/58/378041458.db2.gz WNXFEYXLLOOFAX-OAHLLOKOSA-N 2 1 260.381 2.388 20 30 CEEDMP C=CCC[C@H](O)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000305071069 379620945 /nfs/dbraw/zinc/62/09/45/379620945.db2.gz JIZTUTPSRVQBLL-CVEARBPZSA-N 2 1 266.429 2.121 20 30 CEEDMP [NH2+]=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)NC1CC1 ZINC000261904916 394609308 /nfs/dbraw/zinc/60/93/08/394609308.db2.gz WUFGKDUWTLKJSQ-LBPRGKRZSA-N 2 1 292.452 2.027 20 30 CEEDMP C[N@@H+]1CC=C(CNC(=[NH2+])Nc2ccc3c(c2)CCC3)CC1 ZINC000263173139 394627320 /nfs/dbraw/zinc/62/73/20/394627320.db2.gz SCGOBNNEVMCLKY-UHFFFAOYSA-N 2 1 284.407 2.164 20 30 CEEDMP C[N@H+]1CCC[C@H]1CNC(=[NH2+])Nc1cccc2c1CCCC2 ZINC000267203487 394674268 /nfs/dbraw/zinc/67/42/68/394674268.db2.gz FFABMRVYNSJBNB-AWEZNQCLSA-N 2 1 286.423 2.386 20 30 CEEDMP C[NH+]=C(NC[C@H](C)[N@@H+](C)C1CC1)N1CCc2ccccc21 ZINC000103903460 394716847 /nfs/dbraw/zinc/71/68/47/394716847.db2.gz FCOXATLXQGRWRH-ZDUSSCGKSA-N 2 1 286.423 2.107 20 30 CEEDMP CCN(CC)C(=[NH2+])NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000104154964 394718503 /nfs/dbraw/zinc/71/85/03/394718503.db2.gz HUCZGJAOKGBASQ-CYBMUJFWSA-N 2 1 278.400 2.073 20 30 CEEDMP C=C[C@H](CO)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000289685794 395083897 /nfs/dbraw/zinc/08/38/97/395083897.db2.gz HYEUSVYXKSKNKG-UAGQMJEPSA-N 2 1 274.408 2.176 20 30 CEEDMP C=C[C@H](CO)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000289685794 395083899 /nfs/dbraw/zinc/08/38/99/395083899.db2.gz HYEUSVYXKSKNKG-UAGQMJEPSA-N 2 1 274.408 2.176 20 30 CEEDMP N#Cc1ccc(C[N@@H+]2CC[C@@H](Oc3ccncc3)C2)nc1 ZINC000566412471 395519456 /nfs/dbraw/zinc/51/94/56/395519456.db2.gz GOLLUSIYGSBOKL-MRXNPFEDSA-N 2 1 280.331 2.002 20 30 CEEDMP N#Cc1ccc(C[N@H+]2CC[C@@H](Oc3ccncc3)C2)nc1 ZINC000566412471 395519459 /nfs/dbraw/zinc/51/94/59/395519459.db2.gz GOLLUSIYGSBOKL-MRXNPFEDSA-N 2 1 280.331 2.002 20 30 CEEDMP N#Cc1ccc(OCC[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000459408814 395666099 /nfs/dbraw/zinc/66/60/99/395666099.db2.gz ASPHIJWTEQZHOG-UHFFFAOYSA-N 2 1 285.391 2.153 20 30 CEEDMP C[N@H+](C[C@@H](O)c1ccc(C#N)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285610766 196342981 /nfs/dbraw/zinc/34/29/81/196342981.db2.gz VVIDLOPIVFRTCJ-UJJTZGENSA-N 2 1 299.418 2.149 20 30 CEEDMP C[N@@H+](C[C@@H](O)c1ccc(C#N)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285610766 196342982 /nfs/dbraw/zinc/34/29/82/196342982.db2.gz VVIDLOPIVFRTCJ-UJJTZGENSA-N 2 1 299.418 2.149 20 30 CEEDMP C[NH+](C[C@@H](O)c1ccc(C#N)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285610766 196342984 /nfs/dbraw/zinc/34/29/84/196342984.db2.gz VVIDLOPIVFRTCJ-UJJTZGENSA-N 2 1 299.418 2.149 20 30 CEEDMP C[NH+](C[C@@H](O)c1ccc(C#N)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285610766 196342985 /nfs/dbraw/zinc/34/29/85/196342985.db2.gz VVIDLOPIVFRTCJ-UJJTZGENSA-N 2 1 299.418 2.149 20 30 CEEDMP C=CCCCC[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662325203 415780668 /nfs/dbraw/zinc/78/06/68/415780668.db2.gz CPRNVPVSLNXXNK-HNNXBMFYSA-N 2 1 254.418 2.385 20 30 CEEDMP C#CCOc1ccccc1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000037408340 260101438 /nfs/dbraw/zinc/10/14/38/260101438.db2.gz VFKBROHWYWZQRJ-HNNXBMFYSA-N 2 1 284.403 2.273 20 30 CEEDMP C#CCOc1ccccc1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000037408340 260101439 /nfs/dbraw/zinc/10/14/39/260101439.db2.gz VFKBROHWYWZQRJ-HNNXBMFYSA-N 2 1 284.403 2.273 20 30 CEEDMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(C#N)cc1F ZINC000530354877 269842538 /nfs/dbraw/zinc/84/25/38/269842538.db2.gz XSUOXKHBOBTFGD-LLVKDONJSA-N 2 1 272.327 2.324 20 30 CEEDMP C=C(C)CC[N@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000364368293 262219692 /nfs/dbraw/zinc/21/96/92/262219692.db2.gz ZOAWAZHKRKZTQU-MRXNPFEDSA-N 2 1 265.445 2.053 20 30 CEEDMP C=CCc1cc(C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)cc(OC)c1O ZINC000414947879 263156034 /nfs/dbraw/zinc/15/60/34/263156034.db2.gz LHCGDBNJWSCEKY-WFASDCNBSA-N 2 1 290.407 2.359 20 30 CEEDMP C=CCOc1ccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000357130030 266252665 /nfs/dbraw/zinc/25/26/65/266252665.db2.gz JJCRJJAUSOWLCI-CVEARBPZSA-N 2 1 272.392 2.293 20 30 CEEDMP C=CCOc1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000357130030 266252668 /nfs/dbraw/zinc/25/26/68/266252668.db2.gz JJCRJJAUSOWLCI-CVEARBPZSA-N 2 1 272.392 2.293 20 30 CEEDMP C[C@@H]1C[NH+](CCC2CC[NH+](CCC#N)CC2)C[C@@H](C)O1 ZINC000370206506 267298996 /nfs/dbraw/zinc/29/89/96/267298996.db2.gz BBQXIGCSDKUQRW-HUUCEWRRSA-N 2 1 279.428 2.111 20 30 CEEDMP C=C(Cl)C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000372954086 267619726 /nfs/dbraw/zinc/61/97/26/267619726.db2.gz WANIMJWQCZKPAV-UHFFFAOYSA-N 2 1 272.820 2.173 20 30 CEEDMP C[NH+]1CCC2(CCC[N@@H+]2Cc2ccc(C#N)o2)CC1 ZINC000336622744 277038283 /nfs/dbraw/zinc/03/82/83/277038283.db2.gz IWVWVKXLTVEVTQ-UHFFFAOYSA-N 2 1 259.353 2.211 20 30 CEEDMP C[NH+]1CCC2(CCC[N@H+]2Cc2ccc(C#N)o2)CC1 ZINC000336622744 277038284 /nfs/dbraw/zinc/03/82/84/277038284.db2.gz IWVWVKXLTVEVTQ-UHFFFAOYSA-N 2 1 259.353 2.211 20 30 CEEDMP C=C(CNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC)c1ccccc1 ZINC000287308633 328250731 /nfs/dbraw/zinc/25/07/31/328250731.db2.gz UFMNBDTYDQRMQJ-INIZCTEOSA-N 2 1 286.423 2.088 20 30 CEEDMP CC(C)NC(=[NH2+])NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000262417089 330009090 /nfs/dbraw/zinc/00/90/90/330009090.db2.gz QIVYDSRUQPRXBG-JSGCOSHPSA-N 2 1 294.468 2.444 20 30 CEEDMP CCc1ccc(NC(=[NH2+])N[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000262443770 330013332 /nfs/dbraw/zinc/01/33/32/330013332.db2.gz BXCSJEHTEMSOEB-AWEZNQCLSA-N 2 1 283.379 2.187 20 30 CEEDMP C[N@H+](Cc1ccccc1)C1(CNC(=[NH2+])N2CCC2)CCC1 ZINC000263071326 330041897 /nfs/dbraw/zinc/04/18/97/330041897.db2.gz GSZYTLBGXUEASC-UHFFFAOYSA-N 2 1 286.423 2.062 20 30 CEEDMP C[N@@H+](Cc1ccccc1)C1(CNC(=[NH2+])N2CCC2)CCC1 ZINC000263071326 330041899 /nfs/dbraw/zinc/04/18/99/330041899.db2.gz GSZYTLBGXUEASC-UHFFFAOYSA-N 2 1 286.423 2.062 20 30 CEEDMP N#CC1CCC(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)CC1 ZINC000423110351 330170904 /nfs/dbraw/zinc/17/09/04/330170904.db2.gz VSFILPOAIWSHPP-SWHNLWLKSA-N 2 1 291.439 2.063 20 30 CEEDMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424378884 330349009 /nfs/dbraw/zinc/34/90/09/330349009.db2.gz UEMWFULRNHEPKQ-SLBVQIDZSA-N 2 1 257.381 2.227 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)C2(OC)CCOCC2)CC1 ZINC000453101555 331089210 /nfs/dbraw/zinc/08/92/10/331089210.db2.gz OIJLRXBHVXJKRS-HNNXBMFYSA-N 2 1 296.455 2.201 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)CCc1n[nH]c2ccccc21 ZINC000491666760 332275220 /nfs/dbraw/zinc/27/52/20/332275220.db2.gz XEULZFVKWCFOOK-OAHLLOKOSA-N 2 1 298.434 2.429 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)CCc1n[nH]c2ccccc21 ZINC000491666760 332275221 /nfs/dbraw/zinc/27/52/21/332275221.db2.gz XEULZFVKWCFOOK-OAHLLOKOSA-N 2 1 298.434 2.429 20 30 CEEDMP C=C(C)C[NH2+][C@@H]1CC[N@H+](CCCOCC)C[C@H]1C ZINC000188803179 333174087 /nfs/dbraw/zinc/17/40/87/333174087.db2.gz BRJXEOMTRCWHOL-HUUCEWRRSA-N 2 1 254.418 2.289 20 30 CEEDMP C[NH+](C)CCN1CCC(C[NH2+]CC(C)(C)CCC#N)CC1 ZINC000174351727 335153331 /nfs/dbraw/zinc/15/33/31/335153331.db2.gz FJSDHGWOLKTKDZ-UHFFFAOYSA-N 2 1 294.487 2.180 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+]C1CCC(CSC)CC1 ZINC000385705170 336154633 /nfs/dbraw/zinc/15/46/33/336154633.db2.gz QEMOSNAXYIKKGL-UHFFFAOYSA-N 2 1 268.470 2.453 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+]C1CCC(CSC)CC1 ZINC000385705170 336154635 /nfs/dbraw/zinc/15/46/35/336154635.db2.gz QEMOSNAXYIKKGL-UHFFFAOYSA-N 2 1 268.470 2.453 20 30 CEEDMP C=CCOc1ccc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)cc1 ZINC000347099951 526868551 /nfs/dbraw/zinc/86/85/51/526868551.db2.gz JOUAGEZASUTMQI-HNNXBMFYSA-N 2 1 260.381 2.422 20 30 CEEDMP C=CCOc1ccccc1C[N@H+]1CC[C@H](C[NH2+]C)C1 ZINC000347153589 526933037 /nfs/dbraw/zinc/93/30/37/526933037.db2.gz BNKHIBGZXKJGHY-CQSZACIVSA-N 2 1 260.381 2.293 20 30 CEEDMP C=CCOc1ccccc1C[N@@H+]1CC[C@H](C[NH2+]C)C1 ZINC000347153589 526933040 /nfs/dbraw/zinc/93/30/40/526933040.db2.gz BNKHIBGZXKJGHY-CQSZACIVSA-N 2 1 260.381 2.293 20 30 CEEDMP C=CCC[N@H+]1CCCN(C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC000981557169 613497265 /nfs/dbraw/zinc/49/72/65/613497265.db2.gz RLMFKEDSXURPEW-UHFFFAOYSA-N 2 1 298.390 2.058 20 30 CEEDMP C=CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC000970453502 613865223 /nfs/dbraw/zinc/86/52/23/613865223.db2.gz RTMAMQQIZFIJFW-HZPDHXFCSA-N 2 1 293.455 2.018 20 30 CEEDMP C#CCC1([NH2+]C[C@H](O)C[N@@H+](C)Cc2ccccc2)CCC1 ZINC000933302796 623629079 /nfs/dbraw/zinc/62/90/79/623629079.db2.gz XJABBNDIHCWBGQ-KRWDZBQOSA-N 2 1 286.419 2.015 20 30 CEEDMP C#CCC1([NH2+]C[C@H](O)C[N@H+](C)Cc2ccccc2)CCC1 ZINC000933302796 623629083 /nfs/dbraw/zinc/62/90/83/623629083.db2.gz XJABBNDIHCWBGQ-KRWDZBQOSA-N 2 1 286.419 2.015 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1C[C@@H](OCC)C12CCCC2 ZINC000328138772 627859119 /nfs/dbraw/zinc/85/91/19/627859119.db2.gz ZKXPPJBNBXIYOW-JKSUJKDBSA-N 2 1 278.440 2.269 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1C[C@@H](OCC)C12CCCC2 ZINC000328138772 627859124 /nfs/dbraw/zinc/85/91/24/627859124.db2.gz ZKXPPJBNBXIYOW-JKSUJKDBSA-N 2 1 278.440 2.269 20 30 CEEDMP C#CC[NH+](C)CCCN[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000328245086 627870655 /nfs/dbraw/zinc/87/06/55/627870655.db2.gz HZWBALYZYNWHOZ-IEBWSBKVSA-N 2 1 299.462 2.194 20 30 CEEDMP C#CC[N@@H+](C)CCCN[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)C1 ZINC000328245086 627870660 /nfs/dbraw/zinc/87/06/60/627870660.db2.gz HZWBALYZYNWHOZ-IEBWSBKVSA-N 2 1 299.462 2.194 20 30 CEEDMP C#CC[N@H+](C)CCCN[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)C1 ZINC000328245086 627870667 /nfs/dbraw/zinc/87/06/67/627870667.db2.gz HZWBALYZYNWHOZ-IEBWSBKVSA-N 2 1 299.462 2.194 20 30 CEEDMP C[NH+]=C(NCCC1=CCCC1)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261935862 629346238 /nfs/dbraw/zinc/34/62/38/629346238.db2.gz CKFHKGQNWRKQOF-CZUORRHYSA-N 2 1 290.455 2.135 20 30 CEEDMP C#CCCCCCC[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000894375255 629406161 /nfs/dbraw/zinc/40/61/61/629406161.db2.gz JCNGVJWNQPDMBH-UHFFFAOYSA-N 2 1 279.472 2.187 20 30 CEEDMP C[NH+]1CCC(C[N@H+]2CCc3c(CC#N)cccc3C2)CC1 ZINC000895667419 630298282 /nfs/dbraw/zinc/29/82/82/630298282.db2.gz NIWRCGXYFVSBIG-UHFFFAOYSA-N 2 1 283.419 2.453 20 30 CEEDMP Cc1[nH+]ccn1CCCCNC(=[NH2+])N1CCCCCC1 ZINC000305066469 631107723 /nfs/dbraw/zinc/10/77/23/631107723.db2.gz NAXGZSUTWFBAKH-UHFFFAOYSA-N 2 1 277.416 2.162 20 30 CEEDMP C#Cc1ccc(C[NH2+]C[C@H]2CCC[N@H+](CC)C2)cc1 ZINC000809612002 632111056 /nfs/dbraw/zinc/11/10/56/632111056.db2.gz SYCYDKOTSOCKNN-QGZVFWFLSA-N 2 1 256.393 2.489 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(C)nc1C ZINC000815651806 633044193 /nfs/dbraw/zinc/04/41/93/633044193.db2.gz DOSXSNQPAOIFKI-CQSZACIVSA-N 2 1 259.397 2.304 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(C)nc1C ZINC000815651806 633044198 /nfs/dbraw/zinc/04/41/98/633044198.db2.gz DOSXSNQPAOIFKI-CQSZACIVSA-N 2 1 259.397 2.304 20 30 CEEDMP C=CCCC[C@@H]([NH3+])c1nc(C2([NH3+])CCCC2)no1 ZINC000900005887 633170521 /nfs/dbraw/zinc/17/05/21/633170521.db2.gz MZSBPJAMRSIHAO-SNVBAGLBSA-N 2 1 250.346 2.154 20 30 CEEDMP C=C(CC[NH+](C)C)C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000900214632 633594834 /nfs/dbraw/zinc/59/48/34/633594834.db2.gz GJUMNMFAGDNIAM-OAHLLOKOSA-N 2 1 295.471 2.123 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)CC1 ZINC000902797135 634838601 /nfs/dbraw/zinc/83/86/01/634838601.db2.gz ZHENQXIXPCECPT-QXDIGNSFSA-N 2 1 290.451 2.430 20 30 CEEDMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1cc(C#N)ccn1 ZINC000903017960 634927326 /nfs/dbraw/zinc/92/73/26/634927326.db2.gz ULVXJMVDVHILTQ-ZIAGYGMSSA-N 2 1 272.396 2.336 20 30 CEEDMP C=C[C@@H]1OCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903177732 634999654 /nfs/dbraw/zinc/99/96/54/634999654.db2.gz AQIZUDWTKCVLHS-HJGRSGLPSA-N 2 1 262.397 2.077 20 30 CEEDMP C=CCOc1cccc(C[N@@H+]2CC[C@H](CC[NH3+])C2)c1 ZINC000904409653 635615021 /nfs/dbraw/zinc/61/50/21/635615021.db2.gz FOXFSOJENOXMOS-AWEZNQCLSA-N 2 1 260.381 2.422 20 30 CEEDMP C=CC[N@@H+]1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H]1C ZINC000993609402 640659151 /nfs/dbraw/zinc/65/91/51/640659151.db2.gz BNQFRWYMNCPQDP-BBRMVZONSA-N 2 1 298.390 2.103 20 30 CEEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001015971604 642165711 /nfs/dbraw/zinc/16/57/11/642165711.db2.gz BUVHHSYOLZYUCD-JKSUJKDBSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001015971604 642165713 /nfs/dbraw/zinc/16/57/13/642165713.db2.gz BUVHHSYOLZYUCD-JKSUJKDBSA-N 2 1 293.455 2.018 20 30 CEEDMP C#CCOCC[NH+]1CCC(C[N@H+](C)CCCC)CC1 ZINC000851731470 643131505 /nfs/dbraw/zinc/13/15/05/643131505.db2.gz RMGPKCDIQSMKKH-UHFFFAOYSA-N 2 1 266.429 2.080 20 30 CEEDMP CC[N@@H+](C[C@H](O)c1ccc(C#N)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000923335080 643667039 /nfs/dbraw/zinc/66/70/39/643667039.db2.gz IIHIHEDLTPKBIL-SJORKVTESA-N 2 1 287.407 2.056 20 30 CEEDMP C#CCCOc1ccc(C[NH2+]CCc2c[nH+]cn2C)cc1 ZINC000857782982 644968061 /nfs/dbraw/zinc/96/80/61/644968061.db2.gz NIJIBSTZKCHTLW-UHFFFAOYSA-N 2 1 283.375 2.155 20 30 CEEDMP C=CC[C@@H](C)[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000878020812 650975917 /nfs/dbraw/zinc/97/59/17/650975917.db2.gz QMSYOKBFMABAHV-ZACQAIPSSA-N 2 1 279.472 2.441 20 30 CEEDMP C#CCOCC[N@H+](CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000859998143 645672170 /nfs/dbraw/zinc/67/21/70/645672170.db2.gz XJCHFZRPSPZLGO-UHFFFAOYSA-N 2 1 274.408 2.220 20 30 CEEDMP C[C@@H]1CCC[N@@H+](Cc2ccc(C#N)o2)[C@@H]1CCC[NH3+] ZINC000872144768 649295031 /nfs/dbraw/zinc/29/50/31/649295031.db2.gz HGORKXBAJNSEMY-IUODEOHRSA-N 2 1 261.369 2.491 20 30 CEEDMP C[C@@H]([NH2+][C@H]1Cc2ccc(C#N)cc2C1)c1c[nH+]ccc1N ZINC000873275639 649621314 /nfs/dbraw/zinc/62/13/14/649621314.db2.gz MTAZSJVAFMRLTD-ABAIWWIYSA-N 2 1 278.359 2.184 20 30 CEEDMP C[N@@H+]1CC[C@H]2C[NH+](CCCC3(C#N)CCOCC3)CC[C@@H]21 ZINC000879581592 651327014 /nfs/dbraw/zinc/32/70/14/651327014.db2.gz MPYWTTNROPJFBY-HOTGVXAUSA-N 2 1 291.439 2.113 20 30 CEEDMP C[N@H+]1CC[C@H]2C[NH+](CCCC3(C#N)CCOCC3)CC[C@@H]21 ZINC000879581592 651327016 /nfs/dbraw/zinc/32/70/16/651327016.db2.gz MPYWTTNROPJFBY-HOTGVXAUSA-N 2 1 291.439 2.113 20 30 CEEDMP C[NH+]1CC[C@H]2C[N@H+](CCCC3(C#N)CCOCC3)CC[C@@H]21 ZINC000879581592 651327019 /nfs/dbraw/zinc/32/70/19/651327019.db2.gz MPYWTTNROPJFBY-HOTGVXAUSA-N 2 1 291.439 2.113 20 30 CEEDMP C[NH+]1CC[C@H]2C[N@@H+](CCCC3(C#N)CCOCC3)CC[C@@H]21 ZINC000879581592 651327023 /nfs/dbraw/zinc/32/70/23/651327023.db2.gz MPYWTTNROPJFBY-HOTGVXAUSA-N 2 1 291.439 2.113 20 30 CEEDMP C[C@H]1C[N@H+](CC2(CC#N)CC2)CCN1c1cc[nH+]cc1 ZINC000880259360 651411777 /nfs/dbraw/zinc/41/17/77/651411777.db2.gz QXQRMBJQXTUWPV-AWEZNQCLSA-N 2 1 270.380 2.286 20 30 CEEDMP C[C@H]1C[N@@H+](CC2(CC#N)CC2)CCN1c1cc[nH+]cc1 ZINC000880259360 651411778 /nfs/dbraw/zinc/41/17/78/651411778.db2.gz QXQRMBJQXTUWPV-AWEZNQCLSA-N 2 1 270.380 2.286 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+]Cc1cc2ccccc2[nH]1 ZINC000883131118 652372955 /nfs/dbraw/zinc/37/29/55/652372955.db2.gz HTFLRWPLTSTJMI-UHFFFAOYSA-N 2 1 255.365 2.213 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1cc2ccccc2[nH]1 ZINC000883131118 652372959 /nfs/dbraw/zinc/37/29/59/652372959.db2.gz HTFLRWPLTSTJMI-UHFFFAOYSA-N 2 1 255.365 2.213 20 30 CEEDMP C=CC[NH+]1CC[C@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)[C@H]1C ZINC001088621689 806569166 /nfs/dbraw/zinc/56/91/66/806569166.db2.gz OOXCRPPXONTQCX-OAGGEKHMSA-N 2 1 293.455 2.014 20 30 CEEDMP C=CC[N@H+]1CC[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)[C@H]1C ZINC001088621689 806569172 /nfs/dbraw/zinc/56/91/72/806569172.db2.gz OOXCRPPXONTQCX-OAGGEKHMSA-N 2 1 293.455 2.014 20 30 CEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)[C@H]1C ZINC001088621689 806569182 /nfs/dbraw/zinc/56/91/82/806569182.db2.gz OOXCRPPXONTQCX-OAGGEKHMSA-N 2 1 293.455 2.014 20 30 CEEDMP CC[NH+]1CCC(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)CC1 ZINC001208598832 802387382 /nfs/dbraw/zinc/38/73/82/802387382.db2.gz YSROMCLHQGEJOX-PHZGNYQRSA-N 2 1 261.413 2.485 20 30 CEEDMP C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001266853070 802943109 /nfs/dbraw/zinc/94/31/09/802943109.db2.gz DSSMFULFFXYHET-JKSUJKDBSA-N 2 1 295.471 2.119 20 30 CEEDMP C=CCC[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CCC)CC[C@@H]1C ZINC001132437716 812852743 /nfs/dbraw/zinc/85/27/43/812852743.db2.gz XPCLWBKNRNJDKK-HOTGVXAUSA-N 2 1 295.471 2.264 20 30 CEEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CCC)CC[C@@H]1C ZINC001132437716 812852753 /nfs/dbraw/zinc/85/27/53/812852753.db2.gz XPCLWBKNRNJDKK-HOTGVXAUSA-N 2 1 295.471 2.264 20 30 CEEDMP C=CCC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CCC)CC[C@@H]1C ZINC001132437716 812852761 /nfs/dbraw/zinc/85/27/61/812852761.db2.gz XPCLWBKNRNJDKK-HOTGVXAUSA-N 2 1 295.471 2.264 20 30 CEEDMP C=CCC[C@@H](C)[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001267116900 803140099 /nfs/dbraw/zinc/14/00/99/803140099.db2.gz JIQJIYGQRXMYRI-HZPDHXFCSA-N 2 1 295.471 2.264 20 30 CEEDMP C=C/C(=[NH+]\COC)N1C(C)(C)CC([NH3+])CC1(C)C ZINC001167626106 803214901 /nfs/dbraw/zinc/21/49/01/803214901.db2.gz YTGGKVLGZSBWFZ-FOWTUZBSSA-N 2 1 253.390 2.155 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000721527309 803310130 /nfs/dbraw/zinc/31/01/30/803310130.db2.gz GELBOEAECLWELO-LSDHHAIUSA-N 2 1 266.429 2.125 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000721527309 803310134 /nfs/dbraw/zinc/31/01/34/803310134.db2.gz GELBOEAECLWELO-LSDHHAIUSA-N 2 1 266.429 2.125 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1 ZINC000721527303 803310143 /nfs/dbraw/zinc/31/01/43/803310143.db2.gz GELBOEAECLWELO-CABCVRRESA-N 2 1 266.429 2.125 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1 ZINC000721527303 803310148 /nfs/dbraw/zinc/31/01/48/803310148.db2.gz GELBOEAECLWELO-CABCVRRESA-N 2 1 266.429 2.125 20 30 CEEDMP C=C(C)CC[NH+]1CC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001038322518 803574517 /nfs/dbraw/zinc/57/45/17/803574517.db2.gz SAFWKDQOYMBJBR-JKSUJKDBSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1CCC ZINC001038322518 803574520 /nfs/dbraw/zinc/57/45/20/803574520.db2.gz SAFWKDQOYMBJBR-JKSUJKDBSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1CCC ZINC001038322518 803574523 /nfs/dbraw/zinc/57/45/23/803574523.db2.gz SAFWKDQOYMBJBR-JKSUJKDBSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001028181240 804518851 /nfs/dbraw/zinc/51/88/51/804518851.db2.gz PHKPAMVCTAJANH-CVEARBPZSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001028181240 804518857 /nfs/dbraw/zinc/51/88/57/804518857.db2.gz PHKPAMVCTAJANH-CVEARBPZSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001028181240 804518863 /nfs/dbraw/zinc/51/88/63/804518863.db2.gz PHKPAMVCTAJANH-CVEARBPZSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CC[NH2+]C[C@]1(NC(=O)CC[N@H+](C)CC)CCCC[C@H]1C ZINC001269677254 805227376 /nfs/dbraw/zinc/22/73/76/805227376.db2.gz OZFSUHWVMMZGNG-NVXWUHKLSA-N 2 1 295.471 2.169 20 30 CEEDMP C=C(C)CC[NH+]1CC(NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001031044847 807617547 /nfs/dbraw/zinc/61/75/47/807617547.db2.gz FTXORXGYCBAGSG-HNNXBMFYSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)C[C@H]2CCOC2)CC1 ZINC000765835698 808811508 /nfs/dbraw/zinc/81/15/08/808811508.db2.gz KPCIBCLREAYJCA-LSDHHAIUSA-N 2 1 266.429 2.432 20 30 CEEDMP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001034642719 809649931 /nfs/dbraw/zinc/64/99/31/809649931.db2.gz JUTQRDUZFPABER-JYJNAYRXSA-N 2 1 293.455 2.062 20 30 CEEDMP C=CC[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000172621134 810409588 /nfs/dbraw/zinc/40/95/88/810409588.db2.gz ONLGNNYUJVFXSU-INIZCTEOSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CCC[NH+]1CCC[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001052717740 812452168 /nfs/dbraw/zinc/45/21/68/812452168.db2.gz YOXINVDELUUPTH-HZPDHXFCSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCC[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC001052717740 812452170 /nfs/dbraw/zinc/45/21/70/812452170.db2.gz YOXINVDELUUPTH-HZPDHXFCSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC001052717740 812452172 /nfs/dbraw/zinc/45/21/72/812452172.db2.gz YOXINVDELUUPTH-HZPDHXFCSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)C[N@@H+]1C[C@H](NC(=O)CCCC[NH+](C)C)CC[C@@H]1C ZINC001132433038 812851072 /nfs/dbraw/zinc/85/10/72/812851072.db2.gz JRDYKJAQRQPJFH-JKSUJKDBSA-N 2 1 295.471 2.264 20 30 CEEDMP C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001132736959 812935096 /nfs/dbraw/zinc/93/50/96/812935096.db2.gz GUWTZOCJGHFODJ-HZPDHXFCSA-N 2 1 295.471 2.169 20 30 CEEDMP C=CC[N@H+]1CCC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001052531492 813003595 /nfs/dbraw/zinc/00/35/95/813003595.db2.gz KDKIBZWYYQSFLA-OAHLLOKOSA-N 2 1 298.390 2.105 20 30 CEEDMP C=CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC[N@H+](C)CCC ZINC001135995461 813582332 /nfs/dbraw/zinc/58/23/32/813582332.db2.gz FXOJEXNUTWXYDN-LSDHHAIUSA-N 2 1 283.460 2.167 20 30 CEEDMP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1[nH+]ccc(C)c1C ZINC001171068368 813798617 /nfs/dbraw/zinc/79/86/17/813798617.db2.gz XEDUCDGJGOYNKK-AWEZNQCLSA-N 2 1 291.395 2.337 20 30 CEEDMP N#CCC1CCC([N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)CC1 ZINC001246944200 814459973 /nfs/dbraw/zinc/45/99/73/814459973.db2.gz VYVBLVQZLMMGQR-IRHLINNNSA-N 2 1 261.413 2.390 20 30 CEEDMP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001175262714 816164454 /nfs/dbraw/zinc/16/44/54/816164454.db2.gz KIKRMZHDIWEPGV-JKSUJKDBSA-N 2 1 295.471 2.169 20 30 CEEDMP CN1CCN(c2ccccc2CN2CCC[C@@H](C#N)C2)CC1 ZINC001140970946 816428247 /nfs/dbraw/zinc/42/82/47/816428247.db2.gz AJJHUFCYOSUOMA-INIZCTEOSA-N 2 1 298.434 2.174 20 30 CEEDMP COc1cc(C#N)ccc1CN(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000121136049 365525827 /nfs/dbraw/zinc/52/58/27/365525827.db2.gz BKJSYVWWSPNEPP-CJNGLKHVSA-N 2 1 287.407 2.481 20 30 CEEDMP C=CCNC(=O)[C@H](C)[NH+]1CCC(C[N@H+](C)CCCC)CC1 ZINC000066960874 343727868 /nfs/dbraw/zinc/72/78/68/343727868.db2.gz OVBSGLDCGDXORF-HNNXBMFYSA-N 2 1 295.471 2.121 20 30 CEEDMP CC#CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076109961 343880495 /nfs/dbraw/zinc/88/04/95/343880495.db2.gz HXYUOWCMIPPNNQ-QGZVFWFLSA-N 2 1 256.393 2.464 20 30 CEEDMP CC#CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076109961 343880498 /nfs/dbraw/zinc/88/04/98/343880498.db2.gz HXYUOWCMIPPNNQ-QGZVFWFLSA-N 2 1 256.393 2.464 20 30 CEEDMP CC#CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076109961 343880501 /nfs/dbraw/zinc/88/05/01/343880501.db2.gz HXYUOWCMIPPNNQ-QGZVFWFLSA-N 2 1 256.393 2.464 20 30 CEEDMP CC#CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076109961 343880502 /nfs/dbraw/zinc/88/05/02/343880502.db2.gz HXYUOWCMIPPNNQ-QGZVFWFLSA-N 2 1 256.393 2.464 20 30 CEEDMP C=C(C)CNC(=[NH2+])NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000083052668 344074628 /nfs/dbraw/zinc/07/46/28/344074628.db2.gz GSUPFBKCYMRKIR-HNNXBMFYSA-N 2 1 288.439 2.377 20 30 CEEDMP CC(C)[NH+]1CCN([C@H]2CC[N@H+](C[C@H](C)CCC#N)C2)CC1 ZINC000602481132 347053290 /nfs/dbraw/zinc/05/32/90/347053290.db2.gz FICIDSXTRMFGJG-SJORKVTESA-N 2 1 292.471 2.027 20 30 CEEDMP COc1cc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)ccc1C#N ZINC000314332835 344745243 /nfs/dbraw/zinc/74/52/43/344745243.db2.gz OGNDRQCFBSBINM-RDJZCZTQSA-N 2 1 285.391 2.128 20 30 CEEDMP C[N@@H+]1CC=C(C[NH2+]Cc2ccc(C#N)c(F)c2)CC1 ZINC000404062282 530047485 /nfs/dbraw/zinc/04/74/85/530047485.db2.gz MLTWFXZOLWKBDI-UHFFFAOYSA-N 2 1 259.328 2.049 20 30 CEEDMP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@H](C[NH3+])C1CC1 ZINC000591577487 345265939 /nfs/dbraw/zinc/26/59/39/345265939.db2.gz IMNMWAQWYIRJNH-HZPDHXFCSA-N 2 1 255.365 2.263 20 30 CEEDMP C[C@@H]1C[C@@H](C[N@H+]2Cc3cccc(C#N)c3C2)CC[NH2+]1 ZINC000593324146 345466659 /nfs/dbraw/zinc/46/66/59/345466659.db2.gz YNLRBQSKIRYVJG-OLZOCXBDSA-N 2 1 255.365 2.262 20 30 CEEDMP N#Cc1cccc2c1C[N@H+](CCC1CC[NH2+]CC1)C2 ZINC000593730460 345528839 /nfs/dbraw/zinc/52/88/39/345528839.db2.gz MVCOPWKVAMMHIY-UHFFFAOYSA-N 2 1 255.365 2.264 20 30 CEEDMP N#Cc1cccc2c1C[N@@H+](CCC1CC[NH2+]CC1)C2 ZINC000593730460 345528841 /nfs/dbraw/zinc/52/88/41/345528841.db2.gz MVCOPWKVAMMHIY-UHFFFAOYSA-N 2 1 255.365 2.264 20 30 CEEDMP CC[N@H+]1CC[C@H]([NH2+]CCc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000595058179 345736627 /nfs/dbraw/zinc/73/66/27/345736627.db2.gz YWNIXURSPUQTLS-YOEHRIQHSA-N 2 1 271.408 2.421 20 30 CEEDMP Cn1c[nH+]cc1CC[NH2+]C(C)(C)c1cccc(C#N)c1 ZINC000595633459 345833418 /nfs/dbraw/zinc/83/34/18/345833418.db2.gz SCUMYQSDTAXLAM-UHFFFAOYSA-N 2 1 268.364 2.359 20 30 CEEDMP N#Cc1ccc(CC[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000595887563 345906828 /nfs/dbraw/zinc/90/68/28/345906828.db2.gz FZCZMSSDOHUEFQ-ULQDDVLXSA-N 2 1 269.392 2.160 20 30 CEEDMP C[C@@]1(C#N)CC[N@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000595905306 345910717 /nfs/dbraw/zinc/91/07/17/345910717.db2.gz SWVRDDXLUVCMTM-INIZCTEOSA-N 2 1 255.365 2.068 20 30 CEEDMP C[C@@]1(C#N)CC[N@@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000595905306 345910718 /nfs/dbraw/zinc/91/07/18/345910718.db2.gz SWVRDDXLUVCMTM-INIZCTEOSA-N 2 1 255.365 2.068 20 30 CEEDMP C[N@H+](CCC[NH+]1CCCC1)CCOc1ccccc1C#N ZINC000270631140 190750491 /nfs/dbraw/zinc/75/04/91/190750491.db2.gz QHHYCTBCBBTPSH-UHFFFAOYSA-N 2 1 287.407 2.355 20 30 CEEDMP C[N@@H+](CCC[NH+]1CCCC1)CCOc1ccccc1C#N ZINC000270631140 190750492 /nfs/dbraw/zinc/75/04/92/190750492.db2.gz QHHYCTBCBBTPSH-UHFFFAOYSA-N 2 1 287.407 2.355 20 30 CEEDMP CC(C)(C#N)C[C@@H](O)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000598595053 346380621 /nfs/dbraw/zinc/38/06/21/346380621.db2.gz MIMHPUNKCUIUOC-HZPDHXFCSA-N 2 1 293.455 2.095 20 30 CEEDMP C[N@H+](Cc1cccc(C#N)c1)CC1CC[NH+](C)CC1 ZINC000063120758 362751010 /nfs/dbraw/zinc/75/10/10/362751010.db2.gz ZJYNLKKBOKDOSZ-UHFFFAOYSA-N 2 1 257.381 2.332 20 30 CEEDMP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc(C)c(C#N)c2)C1 ZINC000600707050 346674508 /nfs/dbraw/zinc/67/45/08/346674508.db2.gz XFNHWAIWXFOXCY-OAHLLOKOSA-N 2 1 257.381 2.298 20 30 CEEDMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(C)c(C#N)c2)C1 ZINC000600707050 346674510 /nfs/dbraw/zinc/67/45/10/346674510.db2.gz XFNHWAIWXFOXCY-OAHLLOKOSA-N 2 1 257.381 2.298 20 30 CEEDMP C[N@@H+](CCC[NH2+]C[C@H](O)CC1(C#N)CC1)C1CCCCC1 ZINC000600719308 346677778 /nfs/dbraw/zinc/67/77/78/346677778.db2.gz UXUCLLLFJWDANZ-MRXNPFEDSA-N 2 1 293.455 2.285 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+]C2CC(C)(C(=O)OCC)C2)CC1 ZINC000601267249 346806501 /nfs/dbraw/zinc/80/65/01/346806501.db2.gz IULZBUPPYMMCTC-UHFFFAOYSA-N 2 1 294.439 2.348 20 30 CEEDMP CC#CCC[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000155637307 188218507 /nfs/dbraw/zinc/21/85/07/188218507.db2.gz VPJZTHMDOOPSPQ-UHFFFAOYSA-N 2 1 299.462 2.149 20 30 CEEDMP C=C(C)C[NH+]1CCC(N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1 ZINC000153025679 366725593 /nfs/dbraw/zinc/72/55/93/366725593.db2.gz IUYGVIDGCAQQCO-GOEBONIOSA-N 2 1 277.456 2.242 20 30 CEEDMP C[N@@H+](CCOc1cccc(C#N)c1)C[C@H]1CCC[NH+](C)C1 ZINC000118842188 365183023 /nfs/dbraw/zinc/18/30/23/365183023.db2.gz YHFPFXQERJYANR-INIZCTEOSA-N 2 1 287.407 2.211 20 30 CEEDMP C[NH+](CCOc1cccc(C#N)c1)C[C@H]1CCC[N@H+](C)C1 ZINC000118842188 365183027 /nfs/dbraw/zinc/18/30/27/365183027.db2.gz YHFPFXQERJYANR-INIZCTEOSA-N 2 1 287.407 2.211 20 30 CEEDMP C[NH+](CCOc1cccc(C#N)c1)C[C@H]1CCC[N@@H+](C)C1 ZINC000118842188 365183030 /nfs/dbraw/zinc/18/30/30/365183030.db2.gz YHFPFXQERJYANR-INIZCTEOSA-N 2 1 287.407 2.211 20 30 CEEDMP C[N@@H+](Cc1ccc(F)c(C#N)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000121100990 365523587 /nfs/dbraw/zinc/52/35/87/365523587.db2.gz ZVLLJIRMYQRSLK-CQSZACIVSA-N 2 1 275.371 2.471 20 30 CEEDMP C[N@H+](Cc1ccc(F)c(C#N)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000121100990 365523592 /nfs/dbraw/zinc/52/35/92/365523592.db2.gz ZVLLJIRMYQRSLK-CQSZACIVSA-N 2 1 275.371 2.471 20 30 CEEDMP C[NH+](Cc1ccc(F)c(C#N)c1)C[C@@H]1CCC[N@H+](C)C1 ZINC000121100990 365523598 /nfs/dbraw/zinc/52/35/98/365523598.db2.gz ZVLLJIRMYQRSLK-CQSZACIVSA-N 2 1 275.371 2.471 20 30 CEEDMP C[NH+](Cc1ccc(F)c(C#N)c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000121100990 365523603 /nfs/dbraw/zinc/52/36/03/365523603.db2.gz ZVLLJIRMYQRSLK-CQSZACIVSA-N 2 1 275.371 2.471 20 30 CEEDMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCc1cccc(C#N)c1 ZINC000343592286 367904893 /nfs/dbraw/zinc/90/48/93/367904893.db2.gz HYRSDSXKDVUZJK-KEYYUXOJSA-N 2 1 271.408 2.419 20 30 CEEDMP COc1cc(C[N@@H+](C)CC[C@H]([NH3+])C(C)C)ccc1C#N ZINC000234800369 370543055 /nfs/dbraw/zinc/54/30/55/370543055.db2.gz IVNNVQPKEFYTLJ-HNNXBMFYSA-N 2 1 275.396 2.372 20 30 CEEDMP C=C(C)C[NH+]1CCC(N[C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)CC1 ZINC000248169075 371166723 /nfs/dbraw/zinc/16/67/23/371166723.db2.gz UJXJPQWECWHXIS-YQQAZPJKSA-N 2 1 279.472 2.345 20 30 CEEDMP C[N@@H+]1CCC[C@H]2C[NH+](CC#Cc3ccccc3)CC[C@H]21 ZINC000248843585 371254273 /nfs/dbraw/zinc/25/42/73/371254273.db2.gz MKOYQNNHWYVIFO-ZWKOTPCHSA-N 2 1 268.404 2.454 20 30 CEEDMP C[N@H+]1CCC[C@H]2C[NH+](CC#Cc3ccccc3)CC[C@H]21 ZINC000248843585 371254274 /nfs/dbraw/zinc/25/42/74/371254274.db2.gz MKOYQNNHWYVIFO-ZWKOTPCHSA-N 2 1 268.404 2.454 20 30 CEEDMP C[NH+]1CCC[C@H]2C[N@H+](CC#Cc3ccccc3)CC[C@H]21 ZINC000248843585 371254275 /nfs/dbraw/zinc/25/42/75/371254275.db2.gz MKOYQNNHWYVIFO-ZWKOTPCHSA-N 2 1 268.404 2.454 20 30 CEEDMP C[NH+]1CCC[C@H]2C[N@@H+](CC#Cc3ccccc3)CC[C@H]21 ZINC000248843585 371254277 /nfs/dbraw/zinc/25/42/77/371254277.db2.gz MKOYQNNHWYVIFO-ZWKOTPCHSA-N 2 1 268.404 2.454 20 30 CEEDMP C[NH+]=C(NCc1ccco1)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000264045833 371957219 /nfs/dbraw/zinc/95/72/19/371957219.db2.gz KQOPZOAXKSDOLN-ZIAGYGMSSA-N 2 1 292.427 2.065 20 30 CEEDMP CCNC(=[NH2+])NC[C@@H](c1cccc(OC)c1)[NH+](CC)CC ZINC000264059827 371959472 /nfs/dbraw/zinc/95/94/72/371959472.db2.gz CJDOGCJUACTBKU-HNNXBMFYSA-N 2 1 292.427 2.002 20 30 CEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])Nc1ccc2c(c1)CCC2 ZINC000264075136 371963399 /nfs/dbraw/zinc/96/33/99/371963399.db2.gz HABKFQSKKVKGHB-MRXNPFEDSA-N 2 1 286.423 2.386 20 30 CEEDMP C=CCNC(=[NH2+])NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000264113458 371972364 /nfs/dbraw/zinc/97/23/64/371972364.db2.gz RRSYHAAWJQDJKN-CYBMUJFWSA-N 2 1 292.452 2.050 20 30 CEEDMP Cn1cc(C[NH2+]C2CC[NH+](C3CCC3)CC2)cc1C#N ZINC000277002568 374376992 /nfs/dbraw/zinc/37/69/92/374376992.db2.gz ZZVOEWCWKWIIFM-UHFFFAOYSA-N 2 1 272.396 2.003 20 30 CEEDMP C=CCC[C@H](O)C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374075565 374482541 /nfs/dbraw/zinc/48/25/41/374482541.db2.gz VHIPNBFCSYWJLL-HNNXBMFYSA-N 2 1 266.429 2.121 20 30 CEEDMP COc1cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)ccc1C#N ZINC000318500870 376813656 /nfs/dbraw/zinc/81/36/56/376813656.db2.gz XVULYKYYRONRAR-IAGOWNOFSA-N 2 1 299.418 2.483 20 30 CEEDMP COc1cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)ccc1C#N ZINC000318500870 376813663 /nfs/dbraw/zinc/81/36/63/376813663.db2.gz XVULYKYYRONRAR-IAGOWNOFSA-N 2 1 299.418 2.483 20 30 CEEDMP COc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)ccc1C#N ZINC000318500870 376813666 /nfs/dbraw/zinc/81/36/66/376813666.db2.gz XVULYKYYRONRAR-IAGOWNOFSA-N 2 1 299.418 2.483 20 30 CEEDMP COc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)ccc1C#N ZINC000318500870 376813668 /nfs/dbraw/zinc/81/36/68/376813668.db2.gz XVULYKYYRONRAR-IAGOWNOFSA-N 2 1 299.418 2.483 20 30 CEEDMP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCc2[nH]cnc2C1 ZINC000328954059 376927024 /nfs/dbraw/zinc/92/70/24/376927024.db2.gz OJQNDZBUCKPNAP-IUODEOHRSA-N 2 1 290.411 2.486 20 30 CEEDMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCc2[nH]cnc2C1 ZINC000328954059 376927033 /nfs/dbraw/zinc/92/70/33/376927033.db2.gz OJQNDZBUCKPNAP-IUODEOHRSA-N 2 1 290.411 2.486 20 30 CEEDMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2CC[C@@H](C#N)C2)C[C@H](C)O1 ZINC000442793722 377995718 /nfs/dbraw/zinc/99/57/18/377995718.db2.gz OLKVOHUXCXERTF-QKPAOTATSA-N 2 1 279.428 2.158 20 30 CEEDMP C#CC[N@@H+](C)CCCN[C@H](C)c1ccc(OC)c(O)c1 ZINC000295079110 378040026 /nfs/dbraw/zinc/04/00/26/378040026.db2.gz SYPGKOZXRHSRLC-CYBMUJFWSA-N 2 1 276.380 2.007 20 30 CEEDMP C#CC[N@H+](C)CCCN[C@H](C)c1ccc(OC)c(O)c1 ZINC000295079110 378040032 /nfs/dbraw/zinc/04/00/32/378040032.db2.gz SYPGKOZXRHSRLC-CYBMUJFWSA-N 2 1 276.380 2.007 20 30 CEEDMP C#CCOc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000266175962 190237575 /nfs/dbraw/zinc/23/75/75/190237575.db2.gz SWGORTCJVVEQMU-ZBFHGGJFSA-N 2 1 272.392 2.271 20 30 CEEDMP C[NH+]=C(NCc1ccco1)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000103338097 394714657 /nfs/dbraw/zinc/71/46/57/394714657.db2.gz MWNDOUUAHSDEPL-AWEZNQCLSA-N 2 1 292.427 2.065 20 30 CEEDMP COc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1C#N ZINC000278367389 394829566 /nfs/dbraw/zinc/82/95/66/394829566.db2.gz BWJLSOAQPIDBIA-MQVJKMGUSA-N 2 1 285.391 2.282 20 30 CEEDMP COc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1C#N ZINC000278367389 394829570 /nfs/dbraw/zinc/82/95/70/394829570.db2.gz BWJLSOAQPIDBIA-MQVJKMGUSA-N 2 1 285.391 2.282 20 30 CEEDMP C#CCCCC[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000362031685 394842057 /nfs/dbraw/zinc/84/20/57/394842057.db2.gz DFEGNIGSOIHIAG-IXDOHACOSA-N 2 1 278.440 2.269 20 30 CEEDMP C#Cc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000289221492 395072422 /nfs/dbraw/zinc/07/24/22/395072422.db2.gz JJJFXMOUNLKRBH-IRXDYDNUSA-N 2 1 254.377 2.384 20 30 CEEDMP C#Cc1ccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000289221492 395072424 /nfs/dbraw/zinc/07/24/24/395072424.db2.gz JJJFXMOUNLKRBH-IRXDYDNUSA-N 2 1 254.377 2.384 20 30 CEEDMP COc1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)ccc1C#N ZINC000574989333 395643025 /nfs/dbraw/zinc/64/30/25/395643025.db2.gz NZCNXIOJOGTGBK-QGZVFWFLSA-N 2 1 285.391 2.142 20 30 CEEDMP COc1cc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)ccc1C#N ZINC000574989333 395643026 /nfs/dbraw/zinc/64/30/26/395643026.db2.gz NZCNXIOJOGTGBK-QGZVFWFLSA-N 2 1 285.391 2.142 20 30 CEEDMP CC[NH+]1CCC([NH2+]CCOc2ccc(C#N)cc2)CC1 ZINC000357078504 154370460 /nfs/dbraw/zinc/37/04/60/154370460.db2.gz UZFPXRKBCQQFCY-UHFFFAOYSA-N 2 1 273.380 2.011 20 30 CEEDMP C=CCOc1ccc(C[NH2+]C2CC[NH+](C)CC2)cc1 ZINC000037248685 173061248 /nfs/dbraw/zinc/06/12/48/173061248.db2.gz ZBTRZICPPNBWQV-UHFFFAOYSA-N 2 1 260.381 2.435 20 30 CEEDMP C=CC[N@@H+](CCCCn1cc[nH+]c1C)[C@H](C)COC ZINC000661242266 415154972 /nfs/dbraw/zinc/15/49/72/415154972.db2.gz MFUYBOFNPDGNNV-CQSZACIVSA-N 2 1 265.401 2.495 20 30 CEEDMP C=CC[N@H+](CCCCn1cc[nH+]c1C)[C@H](C)COC ZINC000661242266 415154976 /nfs/dbraw/zinc/15/49/76/415154976.db2.gz MFUYBOFNPDGNNV-CQSZACIVSA-N 2 1 265.401 2.495 20 30 CEEDMP C=CCCC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655764427 415445463 /nfs/dbraw/zinc/44/54/63/415445463.db2.gz HLESALGIEFUOOF-HNNXBMFYSA-N 2 1 252.402 2.186 20 30 CEEDMP C=CC[N@@H+](C[C@@H](C[NH3+])c1ccc(OC)cc1)[C@H](C)COC ZINC000662299413 415763473 /nfs/dbraw/zinc/76/34/73/415763473.db2.gz PHJANLTZALTPPW-GDBMZVCRSA-N 2 1 292.423 2.260 20 30 CEEDMP C=CCOc1cccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000427098781 260551982 /nfs/dbraw/zinc/55/19/82/260551982.db2.gz CMKCBGUAPNBLCD-NVXWUHKLSA-N 2 1 272.392 2.435 20 30 CEEDMP C=CCOc1cccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000427098781 260551984 /nfs/dbraw/zinc/55/19/84/260551984.db2.gz CMKCBGUAPNBLCD-NVXWUHKLSA-N 2 1 272.392 2.435 20 30 CEEDMP CCCNC(=[NH2+])NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000187056122 262122450 /nfs/dbraw/zinc/12/24/50/262122450.db2.gz AXRNSJOKMRJOJZ-MRXNPFEDSA-N 2 1 288.439 2.211 20 30 CEEDMP CCc1cccc(CC)c1NC(=[NH2+])NC[C@@H]1CC[N@@H+](C)C1 ZINC000264086393 262867628 /nfs/dbraw/zinc/86/76/28/262867628.db2.gz JOTDUHKRLKPUNL-ZDUSSCGKSA-N 2 1 288.439 2.490 20 30 CEEDMP CC[NH+](CC)[C@@H](CNC(=[NH2+])N(C)C1CC1)c1ccccc1 ZINC000273388497 263016429 /nfs/dbraw/zinc/01/64/29/263016429.db2.gz ZNFMQVRCDKGSAR-INIZCTEOSA-N 2 1 288.439 2.478 20 30 CEEDMP C=CCOc1ccc(C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)cc1OC ZINC000414939833 263147457 /nfs/dbraw/zinc/14/74/57/263147457.db2.gz BDNNRLZPVMVSSA-ZFWWWQNUSA-N 2 1 290.407 2.490 20 30 CEEDMP C=C(C)C[NH+]1CCC(N[C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000422972652 330164661 /nfs/dbraw/zinc/16/46/61/330164661.db2.gz ACOWISKDQGRJCP-ZBFHGGJFSA-N 2 1 265.445 2.134 20 30 CEEDMP C=CCCOCC[NH2+][C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000423008850 330165214 /nfs/dbraw/zinc/16/52/14/330165214.db2.gz BHGWHYCVALTULP-ZBFHGGJFSA-N 2 1 262.397 2.127 20 30 CEEDMP N#CC1CCC(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)CC1 ZINC000423110350 330170846 /nfs/dbraw/zinc/17/08/46/330170846.db2.gz VSFILPOAIWSHPP-IRKLFDGPSA-N 2 1 291.439 2.063 20 30 CEEDMP C=CCC(C)(C)C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000423129821 330171526 /nfs/dbraw/zinc/17/15/26/330171526.db2.gz FQGUFSYWKLLZII-KFWWJZLASA-N 2 1 266.429 2.335 20 30 CEEDMP N#Cc1cc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)ccn1 ZINC000068766743 526548623 /nfs/dbraw/zinc/54/86/23/526548623.db2.gz BRCDADZRYGULGK-UHFFFAOYSA-N 2 1 284.407 2.261 20 30 CEEDMP C=CCOc1ccccc1C[N@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000347153576 526933429 /nfs/dbraw/zinc/93/34/29/526933429.db2.gz BNKHIBGZXKJGHY-AWEZNQCLSA-N 2 1 260.381 2.293 20 30 CEEDMP C=CCOc1ccccc1C[N@@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000347153576 526933434 /nfs/dbraw/zinc/93/34/34/526933434.db2.gz BNKHIBGZXKJGHY-AWEZNQCLSA-N 2 1 260.381 2.293 20 30 CEEDMP C=CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001024468608 625568517 /nfs/dbraw/zinc/56/85/17/625568517.db2.gz LMNJCHSHHYUWND-HZPDHXFCSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CCC ZINC001024468608 625568525 /nfs/dbraw/zinc/56/85/25/625568525.db2.gz LMNJCHSHHYUWND-HZPDHXFCSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CCC ZINC001024468608 625568530 /nfs/dbraw/zinc/56/85/30/625568530.db2.gz LMNJCHSHHYUWND-HZPDHXFCSA-N 2 1 293.455 2.018 20 30 CEEDMP Cc1[nH+]ccn1CCC[NH2+]CC#Cc1ccccc1 ZINC000892624439 627320778 /nfs/dbraw/zinc/32/07/78/627320778.db2.gz SURIYTNJHIWYJP-UHFFFAOYSA-N 2 1 253.349 2.223 20 30 CEEDMP C=C(C)C[NH2+]C1CCC(NC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001026515929 628345538 /nfs/dbraw/zinc/34/55/38/628345538.db2.gz NOLRJMROCBTVSS-UYSNPLJNSA-N 2 1 293.455 2.064 20 30 CEEDMP C[C@H](C#N)OCC[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000801915207 634680954 /nfs/dbraw/zinc/68/09/54/634680954.db2.gz KWYLZUMWJVZGLO-SJORKVTESA-N 2 1 293.455 2.359 20 30 CEEDMP C[C@H](C#N)OCC[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000801915207 634680982 /nfs/dbraw/zinc/68/09/82/634680982.db2.gz KWYLZUMWJVZGLO-SJORKVTESA-N 2 1 293.455 2.359 20 30 CEEDMP CC1(C#N)CCC([NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)CC1 ZINC000925795893 628841115 /nfs/dbraw/zinc/84/11/15/628841115.db2.gz ZBOONKJLGXINOZ-HWOWSKLDSA-N 2 1 291.439 2.207 20 30 CEEDMP C[NH+]=C(NCC1(C)CCCC1)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261992302 629414060 /nfs/dbraw/zinc/41/40/60/629414060.db2.gz RPCNEOVACZFOIH-DZGCQCFKSA-N 2 1 292.471 2.214 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CS[C@@H](C(C)(C)C)C1 ZINC000894863316 629701475 /nfs/dbraw/zinc/70/14/75/629701475.db2.gz XQXSATCTFPDGBM-ZIAGYGMSSA-N 2 1 268.470 2.451 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CS[C@@H](C(C)(C)C)C1 ZINC000894863316 629701476 /nfs/dbraw/zinc/70/14/76/629701476.db2.gz XQXSATCTFPDGBM-ZIAGYGMSSA-N 2 1 268.470 2.451 20 30 CEEDMP CCN1CCC([NH2+][C@H](C)c2cc(C#N)ccn2)CC1 ZINC000902725918 634795905 /nfs/dbraw/zinc/79/59/05/634795905.db2.gz IHTLCYOYPHYMNO-GFCCVEGCSA-N 2 1 258.369 2.088 20 30 CEEDMP C[N@@H+](CCNC(=[NH2+])N1CCCCCC1)C1CCCC1 ZINC000305082401 631107322 /nfs/dbraw/zinc/10/73/22/631107322.db2.gz SSIWAPZQTUVEOE-UHFFFAOYSA-N 2 1 266.433 2.052 20 30 CEEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001014632906 632639614 /nfs/dbraw/zinc/63/96/14/632639614.db2.gz RYUQQKJDFGJISE-HZPDHXFCSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001014632906 632639617 /nfs/dbraw/zinc/63/96/17/632639617.db2.gz RYUQQKJDFGJISE-HZPDHXFCSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C[C@@H]1OCCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903187418 635012934 /nfs/dbraw/zinc/01/29/34/635012934.db2.gz SXCKKFATWCTEAP-DAQHESOFSA-N 2 1 276.424 2.467 20 30 CEEDMP C=CCC[C@@H](O)C[N@@H+]1CCCC[C@@H]1C1(C[NH3+])CCC1 ZINC000903810496 635285150 /nfs/dbraw/zinc/28/51/50/635285150.db2.gz CGJLWYICHZRHDD-HUUCEWRRSA-N 2 1 266.429 2.297 20 30 CEEDMP N#CC1CCC(C[N@H+]2CC[NH2+]CCC23CCOCC3)CC1 ZINC000903819142 635287534 /nfs/dbraw/zinc/28/75/34/635287534.db2.gz CUFGZCBVAPGNAY-UHFFFAOYSA-N 2 1 291.439 2.161 20 30 CEEDMP C=CCCC[N@H+](CC)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903850339 635304057 /nfs/dbraw/zinc/30/40/57/635304057.db2.gz ORIVEUXHJRSZKK-GJZGRUSLSA-N 2 1 252.402 2.043 20 30 CEEDMP CCCC[NH+]=C(NC[C@@H]1CCC[N@H+]1C)NC(C)(C)C ZINC000912496711 638702678 /nfs/dbraw/zinc/70/26/78/638702678.db2.gz DBHHVGCOZDDKET-ZDUSSCGKSA-N 2 1 268.449 2.214 20 30 CEEDMP CC(C)[N@H+]1CC[C@@H](CNC(NC(C)(C)C)=[NH+]C2CC2)C1 ZINC000912506395 638713320 /nfs/dbraw/zinc/71/33/20/638713320.db2.gz NODCEJSWCYJVJU-ZDUSSCGKSA-N 2 1 280.460 2.213 20 30 CEEDMP CN(C)c1ccc(C=[NH+]NCC[NH+]2CCCCC2)cc1 ZINC000915974439 640712426 /nfs/dbraw/zinc/71/24/26/640712426.db2.gz ULGKDXAITRVKNA-UHFFFAOYSA-N 2 1 274.412 2.162 20 30 CEEDMP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)[C@H]1C ZINC000994404733 640832125 /nfs/dbraw/zinc/83/21/25/640832125.db2.gz HCDVRPHBGFIKEI-HZPDHXFCSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)[C@H]1C ZINC000994404733 640832129 /nfs/dbraw/zinc/83/21/29/640832129.db2.gz HCDVRPHBGFIKEI-HZPDHXFCSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)C[NH2+]C1CCN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000997361148 642243149 /nfs/dbraw/zinc/24/31/49/642243149.db2.gz TUUREJAOOGRRFW-GASCZTMLSA-N 2 1 293.455 2.016 20 30 CEEDMP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001001010829 642675927 /nfs/dbraw/zinc/67/59/27/642675927.db2.gz XJHVMKJMXHQAMT-HZPDHXFCSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001003627843 642962243 /nfs/dbraw/zinc/96/22/43/642962243.db2.gz IXOAHCMFHGSSPE-OAHLLOKOSA-N 2 1 293.455 2.018 20 30 CEEDMP N#Cc1ccc([C@@H](O)C[NH2+][C@@H](C[NH3+])C2CCCCC2)cc1 ZINC000923374186 643685504 /nfs/dbraw/zinc/68/55/04/643685504.db2.gz RZAGKMATVYHNAU-IRXDYDNUSA-N 2 1 287.407 2.089 20 30 CEEDMP C#CCOc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000113340153 644356682 /nfs/dbraw/zinc/35/66/82/644356682.db2.gz MXKDBQZOHKYORS-INIZCTEOSA-N 2 1 272.392 2.130 20 30 CEEDMP CC(=NNc1cc[nH+]cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000779807373 647357566 /nfs/dbraw/zinc/35/75/66/647357566.db2.gz TZAJSRBVOUUHSL-UHFFFAOYSA-N 2 1 298.390 2.280 20 30 CEEDMP C[C@@H]1C[C@@H]([NH2+][C@@H]2Cc3ccc(C#N)cc3C2)CC[N@@H+]1C ZINC000866617910 647844345 /nfs/dbraw/zinc/84/43/45/647844345.db2.gz REBAKZDHMTWLHE-OAUYIBNBSA-N 2 1 269.392 2.098 20 30 CEEDMP C[C@@H]1C[C@@H]([NH2+][C@@H]2Cc3ccc(C#N)cc3C2)CC[N@H+]1C ZINC000866617910 647844347 /nfs/dbraw/zinc/84/43/47/647844347.db2.gz REBAKZDHMTWLHE-OAUYIBNBSA-N 2 1 269.392 2.098 20 30 CEEDMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C1CCN(c2ccccc2C#N)CC1 ZINC000873239412 649605481 /nfs/dbraw/zinc/60/54/81/649605481.db2.gz VOQIOAZSHMQSNM-RHSMWYFYSA-N 2 1 298.434 2.115 20 30 CEEDMP C=CC[C@H](C)[N@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000878722051 651173850 /nfs/dbraw/zinc/17/38/50/651173850.db2.gz OSNDIXFNJLPEGT-INIZCTEOSA-N 2 1 279.472 2.443 20 30 CEEDMP C[N@@H+](CCCC[NH+]1CCCCC1)CCOCCC#N ZINC000880517763 651453130 /nfs/dbraw/zinc/45/31/30/651453130.db2.gz WKTKCOBXUIGUGV-UHFFFAOYSA-N 2 1 267.417 2.115 20 30 CEEDMP C=CCC[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)[C@@H]1CCCO1 ZINC000883209382 652401378 /nfs/dbraw/zinc/40/13/78/652401378.db2.gz BBUUXWHJVKIQPR-HOTGVXAUSA-N 2 1 264.413 2.352 20 30 CEEDMP C=CC[NH2+]C1(CNC(=O)C[N@H+](C)C2CCC2)CCCCC1 ZINC001115574762 814724341 /nfs/dbraw/zinc/72/43/41/814724341.db2.gz OWFFIZVRCJGLON-UHFFFAOYSA-N 2 1 293.455 2.065 20 30 CEEDMP C=CCc1cccc(C[N@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)c1O ZINC001235982349 807905089 /nfs/dbraw/zinc/90/50/89/807905089.db2.gz VBHXLGXZMPGZQW-GOEBONIOSA-N 2 1 258.365 2.044 20 30 CEEDMP C=CCc1cccc(C[N@@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)c1O ZINC001235982349 807905091 /nfs/dbraw/zinc/90/50/91/807905091.db2.gz VBHXLGXZMPGZQW-GOEBONIOSA-N 2 1 258.365 2.044 20 30 CEEDMP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001171539302 815187244 /nfs/dbraw/zinc/18/72/44/815187244.db2.gz RUYVMXHVWSUEFH-JKSUJKDBSA-N 2 1 295.471 2.311 20 30 CEEDMP COCCC[NH+]1CCC([N@@H+]2CCC[C@H](C#N)CC2)CC1 ZINC001172255926 815359683 /nfs/dbraw/zinc/35/96/83/815359683.db2.gz OPVQBSSKZNSNQG-HNNXBMFYSA-N 2 1 279.428 2.113 20 30 CEEDMP COCCC[NH+]1CCC([N@H+]2CCC[C@H](C#N)CC2)CC1 ZINC001172255926 815359689 /nfs/dbraw/zinc/35/96/89/815359689.db2.gz OPVQBSSKZNSNQG-HNNXBMFYSA-N 2 1 279.428 2.113 20 30 CEEDMP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001085432722 810748164 /nfs/dbraw/zinc/74/81/64/810748164.db2.gz MWYDURWSCCHRET-BZUAXINKSA-N 2 1 293.455 2.064 20 30 CEEDMP C=C(C)C[NH+]1CCC(C)(NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001045523862 811620591 /nfs/dbraw/zinc/62/05/91/811620591.db2.gz YQUGJCCDAKHJEC-HNNXBMFYSA-N 2 1 293.455 2.018 20 30 CEEDMP CC(C)(S)CNc1ccc2c(C3C[NH2+]C3)[nH+]cn2c1 ZINC001170305765 812380305 /nfs/dbraw/zinc/38/03/05/812380305.db2.gz DRJRQBZVCSOHLW-UHFFFAOYSA-N 2 1 276.409 2.141 20 30 CEEDMP C=C(C)CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC[N@H+](C)CC ZINC001135860321 813549069 /nfs/dbraw/zinc/54/90/69/813549069.db2.gz ADGOAHZFHGELAM-LSDHHAIUSA-N 2 1 283.460 2.167 20 30 CEEDMP C=CCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC[N@H+](C)CC ZINC001135861233 813550128 /nfs/dbraw/zinc/55/01/28/813550128.db2.gz OHJZSWANLAHGOW-LSDHHAIUSA-N 2 1 283.460 2.167 20 30 CEEDMP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+](C)C(C)C)C2 ZINC001111464249 813974907 /nfs/dbraw/zinc/97/49/07/813974907.db2.gz OBSGFNKTLSZGDY-OAGGEKHMSA-N 2 1 293.455 2.014 20 30 CEEDMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)C(C)C)C2 ZINC001111464249 813974917 /nfs/dbraw/zinc/97/49/17/813974917.db2.gz OBSGFNKTLSZGDY-OAGGEKHMSA-N 2 1 293.455 2.014 20 30 CEEDMP C=CCCC[NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC001147359794 814428417 /nfs/dbraw/zinc/42/84/17/814428417.db2.gz VRBWPPYSNKVNCT-MRXNPFEDSA-N 2 1 295.471 2.313 20 30 CEEDMP C=CC[NH2+]CCCC[C@H](C)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001171316825 814506244 /nfs/dbraw/zinc/50/62/44/814506244.db2.gz BFECVWUDKXOTPM-JKSUJKDBSA-N 2 1 295.471 2.311 20 30 CEEDMP COc1cc(C[N@@H+](C)C2CCC([NH3+])CC2)ccc1C#N ZINC000234917096 814513315 /nfs/dbraw/zinc/51/33/15/814513315.db2.gz FFCAPYXRYAUOMX-UHFFFAOYSA-N 2 1 273.380 2.269 20 30 CEEDMP C=CCOC1CCC([NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)CC1 ZINC001173319250 815691851 /nfs/dbraw/zinc/69/18/51/815691851.db2.gz BPBTUMXYEAOEEQ-LBDPXKHJSA-N 2 1 266.429 2.430 20 30 CEEDMP C=CCOC1CCC([NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)CC1 ZINC001173319250 815691854 /nfs/dbraw/zinc/69/18/54/815691854.db2.gz BPBTUMXYEAOEEQ-LBDPXKHJSA-N 2 1 266.429 2.430 20 30 CEEDMP C=CCC[NH2+][C@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)[C@H]1C ZINC001178925792 816810074 /nfs/dbraw/zinc/81/00/74/816810074.db2.gz KBALDLCDTXXSDH-JYJNAYRXSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CCC[NH2+]CCCCCCNC(=O)Cn1c[nH+]cc1C ZINC001179025930 816824870 /nfs/dbraw/zinc/82/48/70/816824870.db2.gz CASLTOGEYUIIHZ-UHFFFAOYSA-N 2 1 292.427 2.034 20 30 CEEDMP CCC[N@@H+](CC)CCNC(=[NH2+])Nc1ccc(OC)cc1 ZINC000083052960 178336344 /nfs/dbraw/zinc/33/63/44/178336344.db2.gz CNFMWLULIRUKPV-UHFFFAOYSA-N 2 1 278.400 2.154 20 30 CEEDMP Cc1ccc(C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)cc1C#N ZINC000601334775 346823716 /nfs/dbraw/zinc/82/37/16/346823716.db2.gz NPQKKVPUJQZOQM-RDJZCZTQSA-N 2 1 269.392 2.441 20 30 CEEDMP Cc1ccc(C[N@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)cc1C#N ZINC000601334775 346823717 /nfs/dbraw/zinc/82/37/17/346823717.db2.gz NPQKKVPUJQZOQM-RDJZCZTQSA-N 2 1 269.392 2.441 20 30 CEEDMP C[C@@H](C#N)C[NH+](C)CCCCC[N@H+](C)C[C@H](C)C#N ZINC000077270088 343914468 /nfs/dbraw/zinc/91/44/68/343914468.db2.gz YHNJCMORBFIHRN-GASCZTMLSA-N 2 1 264.417 2.340 20 30 CEEDMP C[C@@H](C#N)C[N@@H+](C)CCCCC[NH+](C)C[C@H](C)C#N ZINC000077270088 343914470 /nfs/dbraw/zinc/91/44/70/343914470.db2.gz YHNJCMORBFIHRN-GASCZTMLSA-N 2 1 264.417 2.340 20 30 CEEDMP C[C@@H](C#N)C[N@H+](C)CCCCC[NH+](C)C[C@H](C)C#N ZINC000077270088 343914471 /nfs/dbraw/zinc/91/44/71/343914471.db2.gz YHNJCMORBFIHRN-GASCZTMLSA-N 2 1 264.417 2.340 20 30 CEEDMP C[C@H]1CCC[N@@H+](CCCCNC(=[NH2+])Nc2ccccn2)C1 ZINC000170903800 344492288 /nfs/dbraw/zinc/49/22/88/344492288.db2.gz VBGKFNIQOYLZQL-AWEZNQCLSA-N 2 1 289.427 2.320 20 30 CEEDMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)CC2(C#N)CCOCC2)C1 ZINC000602533032 347068789 /nfs/dbraw/zinc/06/87/89/347068789.db2.gz YMUISWNGYYBNNO-CVEARBPZSA-N 2 1 293.455 2.407 20 30 CEEDMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)CC2(C#N)CCOCC2)C1 ZINC000602525056 347066175 /nfs/dbraw/zinc/06/61/75/347066175.db2.gz QCEPFMNLCPQKJN-JKSUJKDBSA-N 2 1 293.455 2.407 20 30 CEEDMP CC[N@H+]1CC[C@H]([NH2+]CCc2ccc(C#N)cc2)[C@H](C)C1 ZINC000595058176 345736898 /nfs/dbraw/zinc/73/68/98/345736898.db2.gz YWNIXURSPUQTLS-PBHICJAKSA-N 2 1 271.408 2.421 20 30 CEEDMP N#Cc1cccc(C2(NCc3c[nH]cn3)CCOCC2)c1 ZINC000595769836 345871644 /nfs/dbraw/zinc/87/16/44/345871644.db2.gz TYZJNKWBYMCXCW-UHFFFAOYSA-N 2 1 282.347 2.077 20 30 CEEDMP C[C@@H]1CC[N@@H+](CCc2ccc(C#N)cc2)C[C@@H]1C[NH3+] ZINC000595893515 345908681 /nfs/dbraw/zinc/90/86/81/345908681.db2.gz RXLJFEJPDNJOPO-CJNGLKHVSA-N 2 1 257.381 2.017 20 30 CEEDMP CC(C)(C#N)C[C@@H](O)C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000598585664 346377922 /nfs/dbraw/zinc/37/79/22/346377922.db2.gz INZLPVJOSOHZRC-MRXNPFEDSA-N 2 1 293.455 2.237 20 30 CEEDMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H](O)CC(C)(C)C#N ZINC000598595512 346380072 /nfs/dbraw/zinc/38/00/72/346380072.db2.gz OUYUAISOMOBMRC-GJZGRUSLSA-N 2 1 281.444 2.093 20 30 CEEDMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@@H](O)CC(C)(C)C#N ZINC000598595512 346380076 /nfs/dbraw/zinc/38/00/76/346380076.db2.gz OUYUAISOMOBMRC-GJZGRUSLSA-N 2 1 281.444 2.093 20 30 CEEDMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@@H](O)CC(C)(C)C#N ZINC000598595512 346380077 /nfs/dbraw/zinc/38/00/77/346380077.db2.gz OUYUAISOMOBMRC-GJZGRUSLSA-N 2 1 281.444 2.093 20 30 CEEDMP CC(C)[NH+]1CCN(CCC[N@H+](C[C@@H](C)C#N)C2CC2)CC1 ZINC000337321323 366142010 /nfs/dbraw/zinc/14/20/10/366142010.db2.gz PXJGOAPOZBQUIO-INIZCTEOSA-N 2 1 292.471 2.027 20 30 CEEDMP N#Cc1ccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)o1 ZINC000134206426 366297518 /nfs/dbraw/zinc/29/75/18/366297518.db2.gz YMQIAKKCFSGWSB-UHFFFAOYSA-N 2 1 273.380 2.459 20 30 CEEDMP CC[NH+](CC)CCC[NH2+]Cc1ccc(C#N)s1 ZINC000135665517 366465577 /nfs/dbraw/zinc/46/55/77/366465577.db2.gz JHYSIXPRYQTFFX-UHFFFAOYSA-N 2 1 251.399 2.441 20 30 CEEDMP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000181488382 189297894 /nfs/dbraw/zinc/29/78/94/189297894.db2.gz JILASPBPYUNYGF-CQSZACIVSA-N 2 1 275.396 2.177 20 30 CEEDMP C=C(C)C[NH+]1CCC(N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC1 ZINC000153025377 366725349 /nfs/dbraw/zinc/72/53/49/366725349.db2.gz IUYGVIDGCAQQCO-ZBFHGGJFSA-N 2 1 277.456 2.242 20 30 CEEDMP C#CCOc1ccccc1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000093089107 364139942 /nfs/dbraw/zinc/13/99/42/364139942.db2.gz XXPWLCNPFGJYRI-UHFFFAOYSA-N 2 1 286.419 2.472 20 30 CEEDMP CC[N@@H+](C)C[C@@H]1CCN(Cc2cc(C#N)ccc2F)C1 ZINC000173883697 367954304 /nfs/dbraw/zinc/95/43/04/367954304.db2.gz XONVCARZUOXSAX-AWEZNQCLSA-N 2 1 275.371 2.471 20 30 CEEDMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCCC#N)[C@H](C)C1 ZINC000184088168 368669986 /nfs/dbraw/zinc/66/99/86/368669986.db2.gz BRWHBDZXVGPELV-CABCVRRESA-N 2 1 267.417 2.017 20 30 CEEDMP C=CCOc1ccc(C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)cc1 ZINC000346694233 368778153 /nfs/dbraw/zinc/77/81/53/368778153.db2.gz SUHIXZLLOSSJHB-HIFRSBDPSA-N 2 1 260.381 2.421 20 30 CEEDMP N#Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000252858252 371483708 /nfs/dbraw/zinc/48/37/08/371483708.db2.gz LUWODUSFCORUMP-JYJNAYRXSA-N 2 1 255.365 2.117 20 30 CEEDMP C=CCOc1ccc(C[N@@H+]2CC[C@](C)(C[NH3+])C2)cc1 ZINC000261603820 371672314 /nfs/dbraw/zinc/67/23/14/371672314.db2.gz AHQVIGIJKXWXMM-MRXNPFEDSA-N 2 1 260.381 2.422 20 30 CEEDMP C=CCC[C@H](O)C[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000639981883 371711515 /nfs/dbraw/zinc/71/15/15/371711515.db2.gz ARCVQSUWOSSOCU-HNNXBMFYSA-N 2 1 266.429 2.264 20 30 CEEDMP CCNC(=[NH2+])NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000264056790 371959642 /nfs/dbraw/zinc/95/96/42/371959642.db2.gz BHEBQIQZDONFHE-CQSZACIVSA-N 2 1 288.439 2.343 20 30 CEEDMP C=CC[NH+]1CCC([NH2+]C[C@H](O)[C@@H](C)c2ccccc2)CC1 ZINC000644549091 373524271 /nfs/dbraw/zinc/52/42/71/373524271.db2.gz POUHJEOGXDIQMP-YJBOKZPZSA-N 2 1 288.435 2.391 20 30 CEEDMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1cccc(C#N)c1 ZINC000371291054 373833162 /nfs/dbraw/zinc/83/31/62/373833162.db2.gz XMGMLDLODFBEFB-SQNIBIBYSA-N 2 1 299.418 2.242 20 30 CEEDMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1cccc(C#N)c1 ZINC000371291054 373833168 /nfs/dbraw/zinc/83/31/68/373833168.db2.gz XMGMLDLODFBEFB-SQNIBIBYSA-N 2 1 299.418 2.242 20 30 CEEDMP Cn1cc(C[NH2+]CC(C)(C)C[NH+]2CCCC2)cc1C#N ZINC000276747185 374288542 /nfs/dbraw/zinc/28/85/42/374288542.db2.gz ZGXHYUMXOIRLMN-UHFFFAOYSA-N 2 1 274.412 2.108 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(OC)c(OC)c1 ZINC000294923024 378030026 /nfs/dbraw/zinc/03/00/26/378030026.db2.gz GYWMVZIURGUXFR-CQSZACIVSA-N 2 1 290.407 2.310 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(OC)c(OC)c1 ZINC000294923024 378030030 /nfs/dbraw/zinc/03/00/30/378030030.db2.gz GYWMVZIURGUXFR-CQSZACIVSA-N 2 1 290.407 2.310 20 30 CEEDMP Cc1[nH+]ccn1CCNC(=[NH2+])Nc1cccc2c1CCCC2 ZINC000262441989 394618095 /nfs/dbraw/zinc/61/80/95/394618095.db2.gz HURDXVKISNSCRM-UHFFFAOYSA-N 2 1 297.406 2.497 20 30 CEEDMP CC(C)C[N@H+]1CC[C@@H](CNC(=[NH2+])Nc2ccccc2)C1 ZINC000268070938 394688897 /nfs/dbraw/zinc/68/88/97/394688897.db2.gz JXWXTHDDAWAKHV-AWEZNQCLSA-N 2 1 274.412 2.391 20 30 CEEDMP CCN(CC)C(=[NH2+])NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000104154961 394718434 /nfs/dbraw/zinc/71/84/34/394718434.db2.gz HUCZGJAOKGBASQ-ZDUSSCGKSA-N 2 1 278.400 2.073 20 30 CEEDMP C[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccc(C#N)c(F)c1 ZINC000423374685 394906082 /nfs/dbraw/zinc/90/60/82/394906082.db2.gz HZHZZYQPQKDERL-SUNKGSAMSA-N 2 1 261.344 2.488 20 30 CEEDMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H](C#N)C2)[C@@H](C)C1 ZINC000339097237 394942772 /nfs/dbraw/zinc/94/27/72/394942772.db2.gz XDSKYPYBZBHPGY-HZMVEIRTSA-N 2 1 293.455 2.405 20 30 CEEDMP C=C(C)C[NH+]1CCC(N[C@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)CC1 ZINC000152987590 394999953 /nfs/dbraw/zinc/99/99/53/394999953.db2.gz UJXJPQWECWHXIS-INMHGKMJSA-N 2 1 279.472 2.345 20 30 CEEDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CC(C)(C)CCC#N ZINC000374253226 395077740 /nfs/dbraw/zinc/07/77/40/395077740.db2.gz GIVBZVFQMXNPSI-OAGGEKHMSA-N 2 1 293.455 2.500 20 30 CEEDMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CCCC(C)(C)C#N ZINC000374421775 395081308 /nfs/dbraw/zinc/08/13/08/395081308.db2.gz PLGOLLANCHKGLF-PMPSAXMXSA-N 2 1 293.455 2.500 20 30 CEEDMP C=CCOCCC[NH+](C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000348061177 395134615 /nfs/dbraw/zinc/13/46/15/395134615.db2.gz YCHHPDOQYPJZKO-CABCVRRESA-N 2 1 254.418 2.241 20 30 CEEDMP C=CCOCCC[N@@H+](C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC000348061177 395134616 /nfs/dbraw/zinc/13/46/16/395134616.db2.gz YCHHPDOQYPJZKO-CABCVRRESA-N 2 1 254.418 2.241 20 30 CEEDMP C=CCOCCC[N@H+](C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC000348061177 395134618 /nfs/dbraw/zinc/13/46/18/395134618.db2.gz YCHHPDOQYPJZKO-CABCVRRESA-N 2 1 254.418 2.241 20 30 CEEDMP CN(CC[N@@H+](C)CC(C)(C)CCC#N)C1CC[NH+](C)CC1 ZINC000349027710 395156378 /nfs/dbraw/zinc/15/63/78/395156378.db2.gz HTIXQCBWNOQYRK-UHFFFAOYSA-N 2 1 294.487 2.274 20 30 CEEDMP C=CCCCC[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000569899640 395580949 /nfs/dbraw/zinc/58/09/49/395580949.db2.gz GMLNRHMDSLDYQA-SJORKVTESA-N 2 1 279.472 2.301 20 30 CEEDMP C=CC[C@@H]1CC[C@H]([NH2+]CCC[N@H+](C)CCOC)C1 ZINC000651677039 401370100 /nfs/dbraw/zinc/37/01/00/401370100.db2.gz VSMZOOJMPZCNHD-CABCVRRESA-N 2 1 254.418 2.289 20 30 CEEDMP C=CC[C@@H]1CC[C@H]([NH2+]C2CC[NH+](CCOC)CC2)C1 ZINC000651691447 401372952 /nfs/dbraw/zinc/37/29/52/401372952.db2.gz RLSMEXJPVNQXIH-ZBFHGGJFSA-N 2 1 266.429 2.432 20 30 CEEDMP C[N@@H+](CCOc1cccc(C#N)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285665328 196359646 /nfs/dbraw/zinc/35/96/46/196359646.db2.gz ZJEPJVRDWUMRSJ-SJPCQFCGSA-N 2 1 299.418 2.494 20 30 CEEDMP C[NH+](CCOc1cccc(C#N)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285665328 196359648 /nfs/dbraw/zinc/35/96/48/196359648.db2.gz ZJEPJVRDWUMRSJ-SJPCQFCGSA-N 2 1 299.418 2.494 20 30 CEEDMP C[NH+](CCOc1cccc(C#N)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285665328 196359650 /nfs/dbraw/zinc/35/96/50/196359650.db2.gz ZJEPJVRDWUMRSJ-SJPCQFCGSA-N 2 1 299.418 2.494 20 30 CEEDMP C=C(C)CC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655773294 415450264 /nfs/dbraw/zinc/45/02/64/415450264.db2.gz UYJODOVVGGYAJY-OAHLLOKOSA-N 2 1 252.402 2.186 20 30 CEEDMP C=CC[N@H+](Cc1ccccc1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662252322 415714073 /nfs/dbraw/zinc/71/40/73/415714073.db2.gz PGQXWRLPNHDVNJ-MRXNPFEDSA-N 2 1 272.392 2.196 20 30 CEEDMP C[C@@H]1C[C@H](C)[N@@H+](Cc2cccc(C#N)c2)C[C@H]1C[NH3+] ZINC000397318344 267087875 /nfs/dbraw/zinc/08/78/75/267087875.db2.gz ABVKUHCENOZCDV-DVOMOZLQSA-N 2 1 257.381 2.363 20 30 CEEDMP C=CCSCC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000367601599 267102609 /nfs/dbraw/zinc/10/26/09/267102609.db2.gz OPXITYIETQCMKH-MCIONIFRSA-N 2 1 254.443 2.368 20 30 CEEDMP CC[NH+]=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N1CCC[C@@H](C)C1 ZINC000262579398 330021940 /nfs/dbraw/zinc/02/19/40/330021940.db2.gz PUADIMVLKNUFHG-CABCVRRESA-N 2 1 292.471 2.168 20 30 CEEDMP C=CCN1CCC([NH2+][C@@H](C)c2cc(C(=O)OC)co2)CC1 ZINC000278367487 330119542 /nfs/dbraw/zinc/11/95/42/330119542.db2.gz BXKBMIJDAGHPIE-LBPRGKRZSA-N 2 1 292.379 2.367 20 30 CEEDMP C=CC[NH+](CC=C)[C@H](CN[C@@H]1CCC[C@@H]1C[NH3+])C(C)C ZINC000422827659 330156530 /nfs/dbraw/zinc/15/65/30/330156530.db2.gz DYZZHTJQAUFMGW-BRWVUGGUSA-N 2 1 279.472 2.402 20 30 CEEDMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC1(CC#N)CC1 ZINC000423106308 330170660 /nfs/dbraw/zinc/17/06/60/330170660.db2.gz ZOWUEQNZISKUIF-HIFRSBDPSA-N 2 1 257.381 2.228 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCOC1 ZINC000491070705 332146013 /nfs/dbraw/zinc/14/60/13/332146013.db2.gz DTCJTSYTFZSYMD-IXDOHACOSA-N 2 1 278.440 2.126 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCOC1 ZINC000491070705 332146015 /nfs/dbraw/zinc/14/60/15/332146015.db2.gz DTCJTSYTFZSYMD-IXDOHACOSA-N 2 1 278.440 2.126 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000491165194 332159445 /nfs/dbraw/zinc/15/94/45/332159445.db2.gz JDUDVMQAXYHJQB-CQSZACIVSA-N 2 1 299.418 2.177 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000491165194 332159446 /nfs/dbraw/zinc/15/94/46/332159446.db2.gz JDUDVMQAXYHJQB-CQSZACIVSA-N 2 1 299.418 2.177 20 30 CEEDMP C=C(C)C[NH2+][C@H]1CC[N@H+](CCCOCC)C[C@H]1C ZINC000188803148 333174027 /nfs/dbraw/zinc/17/40/27/333174027.db2.gz BRJXEOMTRCWHOL-CABCVRRESA-N 2 1 254.418 2.289 20 30 CEEDMP CC(C)(CCC#N)C[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000174374969 335153546 /nfs/dbraw/zinc/15/35/46/335153546.db2.gz BUIQPLMSXVLTKQ-HNNXBMFYSA-N 2 1 281.444 2.143 20 30 CEEDMP C=C(C)CC[N@@H+]1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC000352013549 526447742 /nfs/dbraw/zinc/44/77/42/526447742.db2.gz JMSSRMMLNZBSPW-OAHLLOKOSA-N 2 1 254.418 2.385 20 30 CEEDMP C#CCOc1ccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000113320904 527105669 /nfs/dbraw/zinc/10/56/69/527105669.db2.gz NGZLBJVKLIBSQO-MRXNPFEDSA-N 2 1 284.403 2.273 20 30 CEEDMP C#CCOCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000753760317 575340015 /nfs/dbraw/zinc/34/00/15/575340015.db2.gz IUGXACNGJZOMPB-FUHWJXTLSA-N 2 1 286.419 2.136 20 30 CEEDMP C#CCOCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000753760317 575340016 /nfs/dbraw/zinc/34/00/16/575340016.db2.gz IUGXACNGJZOMPB-FUHWJXTLSA-N 2 1 286.419 2.136 20 30 CEEDMP C=CC[NH+]1CCC([NH2+]C[C@H]2C[C@]2(C)Br)CC1 ZINC000892881474 627828273 /nfs/dbraw/zinc/82/82/73/627828273.db2.gz WYIJAZWKZFTCRN-YPMHNXCESA-N 2 1 287.245 2.400 20 30 CEEDMP C=CC[NH2+][C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC000969152493 613862932 /nfs/dbraw/zinc/86/29/32/613862932.db2.gz WCEILAIOIHWWSZ-CQSZACIVSA-N 2 1 293.455 2.016 20 30 CEEDMP CC[C@H](C)NC(=[NH2+])NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000157363802 624974046 /nfs/dbraw/zinc/97/40/46/624974046.db2.gz UYRLPKHGPYZABB-UONOGXRCSA-N 2 1 268.449 2.057 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(OCC(F)F)cc1 ZINC000820846100 634548953 /nfs/dbraw/zinc/54/89/53/634548953.db2.gz CKHMQYLUSMMXDX-UHFFFAOYSA-N 2 1 296.361 2.375 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(OCC(F)F)cc1 ZINC000820846100 634548957 /nfs/dbraw/zinc/54/89/57/634548957.db2.gz CKHMQYLUSMMXDX-UHFFFAOYSA-N 2 1 296.361 2.375 20 30 CEEDMP C=CC[NH+]1CCC([NH2+]C[C@H]2C[C@@]2(C)Br)CC1 ZINC000892881471 627828912 /nfs/dbraw/zinc/82/89/12/627828912.db2.gz WYIJAZWKZFTCRN-DGCLKSJQSA-N 2 1 287.245 2.400 20 30 CEEDMP C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925705652 628551125 /nfs/dbraw/zinc/55/11/25/628551125.db2.gz LUYWXPCOUGMKFG-TUUVXOQKSA-N 2 1 260.381 2.256 20 30 CEEDMP C[C@@H](CC[NH2+]Cc1cc(C#N)ccc1N(C)C)[NH+](C)C ZINC000895290767 630083217 /nfs/dbraw/zinc/08/32/17/630083217.db2.gz UBKYOEUQPCXATJ-ZDUSSCGKSA-N 2 1 274.412 2.054 20 30 CEEDMP CC[NH+]1CCC([NH2+]Cc2ccc(OC)c(C#N)c2)CC1 ZINC000087823863 630687429 /nfs/dbraw/zinc/68/74/29/630687429.db2.gz XCOLNHOXZRMGCY-UHFFFAOYSA-N 2 1 273.380 2.141 20 30 CEEDMP CCC[N@@H+](CC)CCNC(=[NH2+])Nc1cccc(C)c1 ZINC000304471431 631103234 /nfs/dbraw/zinc/10/32/34/631103234.db2.gz DQCRZMCVTWMQKT-UHFFFAOYSA-N 2 1 262.401 2.454 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(OCC)c(OC)c1 ZINC000328016842 631862329 /nfs/dbraw/zinc/86/23/29/631862329.db2.gz RJSROWOSLPWLDN-UHFFFAOYSA-N 2 1 290.407 2.139 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(OCC)c(OC)c1 ZINC000328016842 631862336 /nfs/dbraw/zinc/86/23/36/631862336.db2.gz RJSROWOSLPWLDN-UHFFFAOYSA-N 2 1 290.407 2.139 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](O)c2ccc(F)cc2)CC1 ZINC000819024258 634044385 /nfs/dbraw/zinc/04/43/85/634044385.db2.gz MWMFKMKJJZPLSO-QGZVFWFLSA-N 2 1 292.398 2.489 20 30 CEEDMP CCCn1cc[nH+]c1CCC[N@H+](C)CCO[C@@H](C)C#N ZINC000801948942 634981328 /nfs/dbraw/zinc/98/13/28/634981328.db2.gz AATMDTXZHGKPBM-AWEZNQCLSA-N 2 1 278.400 2.086 20 30 CEEDMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCO[C@@H](C)C#N ZINC000801948942 634981330 /nfs/dbraw/zinc/98/13/30/634981330.db2.gz AATMDTXZHGKPBM-AWEZNQCLSA-N 2 1 278.400 2.086 20 30 CEEDMP Cc1cc(C#N)cc(C)c1C[N@H+](C)C1CC[NH2+]CC1 ZINC000903421566 635123363 /nfs/dbraw/zinc/12/33/63/635123363.db2.gz OROSGZIRZWOOCR-UHFFFAOYSA-N 2 1 257.381 2.359 20 30 CEEDMP C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000845935140 641132146 /nfs/dbraw/zinc/13/21/46/641132146.db2.gz LDJDXCNBGMPPQQ-QKPAOTATSA-N 2 1 264.413 2.184 20 30 CEEDMP C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000845935140 641132149 /nfs/dbraw/zinc/13/21/49/641132149.db2.gz LDJDXCNBGMPPQQ-QKPAOTATSA-N 2 1 264.413 2.184 20 30 CEEDMP CNC(NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)=[NH+]C ZINC000848989566 642211301 /nfs/dbraw/zinc/21/13/01/642211301.db2.gz XTEAISOFHVMQPJ-GDBMZVCRSA-N 2 1 288.439 2.082 20 30 CEEDMP CCCCCCCC[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000109192490 642631460 /nfs/dbraw/zinc/63/14/60/642631460.db2.gz OMKZAXDLSZGEQJ-HNNXBMFYSA-N 2 1 283.460 2.134 20 30 CEEDMP C=CCC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001002793179 642836094 /nfs/dbraw/zinc/83/60/94/642836094.db2.gz WSAZZIOZWACLCS-INIZCTEOSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CCC[C@H](O)C[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000923413397 643702326 /nfs/dbraw/zinc/70/23/26/643702326.db2.gz FOHRZOCNYPOSNP-ZFWWWQNUSA-N 2 1 254.418 2.010 20 30 CEEDMP N#C[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000774184453 646815671 /nfs/dbraw/zinc/81/56/71/646815671.db2.gz CDDIOMOPPXGKKH-PVAVHDDUSA-N 2 1 291.439 2.302 20 30 CEEDMP C=CC[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000779188187 647295819 /nfs/dbraw/zinc/29/58/19/647295819.db2.gz HWGRYQFLPVAPNW-UHFFFAOYSA-N 2 1 259.397 2.056 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000883131568 652372408 /nfs/dbraw/zinc/37/24/08/652372408.db2.gz ILGHJCOORJKITR-TWGQIWQCSA-N 2 1 287.363 2.153 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000883131568 652372409 /nfs/dbraw/zinc/37/24/09/652372409.db2.gz ILGHJCOORJKITR-TWGQIWQCSA-N 2 1 287.363 2.153 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+]Cc1cccc(OC(F)F)c1 ZINC000883131782 652372438 /nfs/dbraw/zinc/37/24/38/652372438.db2.gz RVUALMZQWANXPJ-UHFFFAOYSA-N 2 1 282.334 2.333 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1cccc(OC(F)F)c1 ZINC000883131782 652372442 /nfs/dbraw/zinc/37/24/42/652372442.db2.gz RVUALMZQWANXPJ-UHFFFAOYSA-N 2 1 282.334 2.333 20 30 CEEDMP C#Cc1ccc(CNCc2ncc(C[NH+](C)C)s2)cc1 ZINC000883132668 652373395 /nfs/dbraw/zinc/37/33/95/652373395.db2.gz ZZYAMHAJCDUGQF-UHFFFAOYSA-N 2 1 285.416 2.476 20 30 CEEDMP C=CCC[C@@H]([NH2+]CCn1cc[nH+]c1C)[C@H]1CCCO1 ZINC000883182753 652392114 /nfs/dbraw/zinc/39/21/14/652392114.db2.gz JRJPMJNMSOKBFD-HUUCEWRRSA-N 2 1 263.385 2.295 20 30 CEEDMP C=CC[C@H](C)[N@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000715051411 814926181 /nfs/dbraw/zinc/92/61/81/814926181.db2.gz CDHCQGUXOMFSHU-DCAQKATOSA-N 2 1 250.308 2.410 20 30 CEEDMP C=C(C)C[NH2+][C@@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001266939110 803009994 /nfs/dbraw/zinc/00/99/94/803009994.db2.gz ABECRUIVVAIEBL-UONOGXRCSA-N 2 1 292.427 2.067 20 30 CEEDMP C=C(C)CC[NH+](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)C1CC1 ZINC001267331754 803376291 /nfs/dbraw/zinc/37/62/91/803376291.db2.gz QHDJXNKEWCUYCT-INIZCTEOSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)CC[N@@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)C1CC1 ZINC001267331754 803376298 /nfs/dbraw/zinc/37/62/98/803376298.db2.gz QHDJXNKEWCUYCT-INIZCTEOSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)CC[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)C1CC1 ZINC001267331754 803376304 /nfs/dbraw/zinc/37/63/04/803376304.db2.gz QHDJXNKEWCUYCT-INIZCTEOSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001267632071 803632523 /nfs/dbraw/zinc/63/25/23/803632523.db2.gz PBIGKIJSGMTJKO-HOTGVXAUSA-N 2 1 295.471 2.264 20 30 CEEDMP C=C(C)C[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001027879039 804313104 /nfs/dbraw/zinc/31/31/04/804313104.db2.gz LYHPPOVXBKFGMW-CVEARBPZSA-N 2 1 293.455 2.016 20 30 CEEDMP C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001027879039 804313112 /nfs/dbraw/zinc/31/31/12/804313112.db2.gz LYHPPOVXBKFGMW-CVEARBPZSA-N 2 1 293.455 2.016 20 30 CEEDMP C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001027879039 804313121 /nfs/dbraw/zinc/31/31/21/804313121.db2.gz LYHPPOVXBKFGMW-CVEARBPZSA-N 2 1 293.455 2.016 20 30 CEEDMP N#CCc1ccc(Cl)cc1NC(=[NH2+])SCC[NH3+] ZINC001167915264 804707903 /nfs/dbraw/zinc/70/79/03/804707903.db2.gz FYAYOUIKLYQAIY-UHFFFAOYSA-N 2 1 268.773 2.445 20 30 CEEDMP CC1(C#N)CC[NH+](C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168387320 807041391 /nfs/dbraw/zinc/04/13/91/807041391.db2.gz CUHFTWJZKVJNCW-UHFFFAOYSA-N 2 1 261.413 2.486 20 30 CEEDMP C=C(C)CC[NH+]1CC(NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001031050644 807621111 /nfs/dbraw/zinc/62/11/11/807621111.db2.gz RVYWKAXOXKSJOS-INIZCTEOSA-N 2 1 293.455 2.016 20 30 CEEDMP C=C(C)CC[NH+]1CC(NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001031050644 807621113 /nfs/dbraw/zinc/62/11/13/807621113.db2.gz RVYWKAXOXKSJOS-INIZCTEOSA-N 2 1 293.455 2.016 20 30 CEEDMP CN(CCC#N)c1ccc(C[N@H+]2CCC[C@@H]([NH3+])CC2)cc1 ZINC001205117569 807706099 /nfs/dbraw/zinc/70/60/99/807706099.db2.gz RJLCXLOUTKJLAT-MRXNPFEDSA-N 2 1 286.423 2.350 20 30 CEEDMP C=CC[NH2+][C@@H]1CCCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC000999354509 808793759 /nfs/dbraw/zinc/79/37/59/808793759.db2.gz QHQKRQWOBXXLHX-CVEARBPZSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001034241295 809562238 /nfs/dbraw/zinc/56/22/38/809562238.db2.gz XKGVWXAONMIXSB-HZPDHXFCSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001034241295 809562242 /nfs/dbraw/zinc/56/22/42/809562242.db2.gz XKGVWXAONMIXSB-HZPDHXFCSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001034241295 809562247 /nfs/dbraw/zinc/56/22/47/809562247.db2.gz XKGVWXAONMIXSB-HZPDHXFCSA-N 2 1 293.455 2.018 20 30 CEEDMP CCCCCCC[C@H](C)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000702600455 809571084 /nfs/dbraw/zinc/57/10/84/809571084.db2.gz RCPZBHOFZKRFLB-LSDHHAIUSA-N 2 1 256.434 2.392 20 30 CEEDMP CCCCCCC[C@H](C)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000702600455 809571088 /nfs/dbraw/zinc/57/10/88/809571088.db2.gz RCPZBHOFZKRFLB-LSDHHAIUSA-N 2 1 256.434 2.392 20 30 CEEDMP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001085196802 809759226 /nfs/dbraw/zinc/75/92/26/809759226.db2.gz ONMHHUQVBQGUAT-BZUAXINKSA-N 2 1 293.455 2.062 20 30 CEEDMP C=CCCC[C@@H]([NH3+])C(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC001121909583 815366539 /nfs/dbraw/zinc/36/65/39/815366539.db2.gz VUMGCJCLGWYGLQ-HZPDHXFCSA-N 2 1 295.471 2.441 20 30 CEEDMP C=C(C)CC[NH+]1CC(N(C)C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001043353777 811367285 /nfs/dbraw/zinc/36/72/85/811367285.db2.gz DJVGEAXRALIPLL-UHFFFAOYSA-N 2 1 298.390 2.057 20 30 CEEDMP COc1cc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)ccc1C#N ZINC001206037033 812160349 /nfs/dbraw/zinc/16/03/49/812160349.db2.gz SLJULSDRKKIRHK-DZGCQCFKSA-N 2 1 287.407 2.374 20 30 CEEDMP C=CC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001052620896 813012446 /nfs/dbraw/zinc/01/24/46/813012446.db2.gz VAZVHDQBLQXBGZ-OAHLLOKOSA-N 2 1 293.455 2.018 20 30 CEEDMP C[C@H](Cc1cccc(C#N)c1)[NH2+]C[C@H]1CC[N@@H+](C)C1 ZINC001171179851 814060016 /nfs/dbraw/zinc/06/00/16/814060016.db2.gz XRHFXRXCZIKSBK-CZUORRHYSA-N 2 1 257.381 2.031 20 30 CEEDMP C[C@H](Cc1cccc(C#N)c1)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC001171181088 814068372 /nfs/dbraw/zinc/06/83/72/814068372.db2.gz HBDKNSPARFPHGY-RHSMWYFYSA-N 2 1 271.408 2.421 20 30 CEEDMP C=CCOC1CCC([NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)CC1 ZINC001173322287 815674197 /nfs/dbraw/zinc/67/41/97/815674197.db2.gz BJTMAPNPXYIKGV-XNIRIUNOSA-N 2 1 278.440 2.384 20 30 CEEDMP C=CCOC1CCC([N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)CC1 ZINC001173322287 815674203 /nfs/dbraw/zinc/67/42/03/815674203.db2.gz BJTMAPNPXYIKGV-XNIRIUNOSA-N 2 1 278.440 2.384 20 30 CEEDMP C=CCOC1CCC([N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)CC1 ZINC001173322287 815674208 /nfs/dbraw/zinc/67/42/08/815674208.db2.gz BJTMAPNPXYIKGV-XNIRIUNOSA-N 2 1 278.440 2.384 20 30 CEEDMP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](C1CCC(C)(C#N)CC1)C2 ZINC001173601411 815758030 /nfs/dbraw/zinc/75/80/30/815758030.db2.gz SNJMHAQOEJXZDP-PRLABOORSA-N 2 1 261.413 2.342 20 30 CEEDMP Cc1cc(Nc2sc3c(c2C#N)CC[N@H+](C)C3)cc[nH+]1 ZINC001174651763 816065786 /nfs/dbraw/zinc/06/57/86/816065786.db2.gz MXXHIGYHHOTDCE-UHFFFAOYSA-N 2 1 284.388 2.477 20 30 CEEDMP C=CCCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001176563624 816441284 /nfs/dbraw/zinc/44/12/84/816441284.db2.gz GGMXYBGQFOGPGA-JKSUJKDBSA-N 2 1 295.471 2.169 20 30 CEEDMP C=CCCC[NH2+][C@H]1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)[C@H]1C ZINC001179534437 816869755 /nfs/dbraw/zinc/86/97/55/816869755.db2.gz LYYXEGABLXYHCI-PMPSAXMXSA-N 2 1 293.455 2.016 20 30 CEEDMP CC[C@@H](C)NC(=[NH2+])NCCC[N@@H+](C)Cc1ccccc1 ZINC000060344337 343657051 /nfs/dbraw/zinc/65/70/51/343657051.db2.gz IGODKJSOTIVEQY-CQSZACIVSA-N 2 1 276.428 2.211 20 30 CEEDMP C=CCNC(=[NH2+])NC[C@H](c1ccccc1)[NH+](CC)CC ZINC000066242289 343709445 /nfs/dbraw/zinc/70/94/45/343709445.db2.gz JCTQZNJYKLBRGT-OAHLLOKOSA-N 2 1 274.412 2.160 20 30 CEEDMP CCCNC(=[NH2+])NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000083052620 344074703 /nfs/dbraw/zinc/07/47/03/344074703.db2.gz IMUZHLHNCYOTTC-AWEZNQCLSA-N 2 1 276.428 2.211 20 30 CEEDMP N#Cc1ccc(C[N@@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cc1 ZINC000593736975 345530059 /nfs/dbraw/zinc/53/00/59/345530059.db2.gz PKIUGQVGLJUBGC-OKZBNKHCSA-N 2 1 299.418 2.277 20 30 CEEDMP N#Cc1ccc(CC[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000595887564 345906949 /nfs/dbraw/zinc/90/69/49/345906949.db2.gz FZCZMSSDOHUEFQ-YESZJQIVSA-N 2 1 269.392 2.160 20 30 CEEDMP C[C@H]([NH2+]CCc1ccc(C#N)cc1)[C@@H]1CCCC[NH2+]1 ZINC000596650968 346072061 /nfs/dbraw/zinc/07/20/61/346072061.db2.gz MQHPMFHASOOXKW-BBRMVZONSA-N 2 1 257.381 2.221 20 30 CEEDMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598588509 346378932 /nfs/dbraw/zinc/37/89/32/346378932.db2.gz BEEMCVQUCJHIHG-MRXNPFEDSA-N 2 1 295.471 2.339 20 30 CEEDMP Cc1ccc(C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1C#N ZINC000600700589 346673616 /nfs/dbraw/zinc/67/36/16/346673616.db2.gz DGHCVWXEFVUING-UKRRQHHQSA-N 2 1 257.381 2.426 20 30 CEEDMP Cc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1C#N ZINC000600709066 346674860 /nfs/dbraw/zinc/67/48/60/346674860.db2.gz NYPZCYMZLVHIHD-UAGQMJEPSA-N 2 1 269.392 2.426 20 30 CEEDMP C[C@@]1(C[N@@H+]2CCc3c(CC#N)cccc3C2)CC[NH2+]C1 ZINC000600774458 346687971 /nfs/dbraw/zinc/68/79/71/346687971.db2.gz QSXXZALGCOUPPX-QGZVFWFLSA-N 2 1 269.392 2.110 20 30 CEEDMP C[C@@]1(C[N@H+]2CCc3c(CC#N)cccc3C2)CC[NH2+]C1 ZINC000600774458 346687974 /nfs/dbraw/zinc/68/79/74/346687974.db2.gz QSXXZALGCOUPPX-QGZVFWFLSA-N 2 1 269.392 2.110 20 30 CEEDMP C[NH+](C)CCC[NH2+]C1CC(C#N)(c2ccccc2)C1 ZINC000086036182 179221842 /nfs/dbraw/zinc/22/18/42/179221842.db2.gz HZZPAQUDDMQTOM-UHFFFAOYSA-N 2 1 257.381 2.152 20 30 CEEDMP Cc1[nH+]ccn1CCCN(CCC#N)Cc1ccccn1 ZINC000136406426 366512363 /nfs/dbraw/zinc/51/23/63/366512363.db2.gz QSPBZWCMRJHXJV-UHFFFAOYSA-N 2 1 283.379 2.393 20 30 CEEDMP C[C@H]1CCCC[N@H+]1CCCNC(=[NH2+])Nc1ccccn1 ZINC000170908203 367444545 /nfs/dbraw/zinc/44/45/45/367444545.db2.gz SUPJSSRVLKEPML-ZDUSSCGKSA-N 2 1 275.400 2.073 20 30 CEEDMP C=CCOCCC[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000348061490 368881259 /nfs/dbraw/zinc/88/12/59/368881259.db2.gz YVMMUMGAWGOZAN-INIZCTEOSA-N 2 1 266.429 2.243 20 30 CEEDMP C=CCOCCC[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000348061490 368881264 /nfs/dbraw/zinc/88/12/64/368881264.db2.gz YVMMUMGAWGOZAN-INIZCTEOSA-N 2 1 266.429 2.243 20 30 CEEDMP C=CCOCCC[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000348061490 368881267 /nfs/dbraw/zinc/88/12/67/368881267.db2.gz YVMMUMGAWGOZAN-INIZCTEOSA-N 2 1 266.429 2.243 20 30 CEEDMP C=CC[NH+]1CCC([NH2+]C[C@H](OC)C2CCCC2)CC1 ZINC000638524413 370590595 /nfs/dbraw/zinc/59/05/95/370590595.db2.gz NRSIRZWXSUSMLE-INIZCTEOSA-N 2 1 266.429 2.432 20 30 CEEDMP COc1cc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)ccc1C#N ZINC000261600962 371673106 /nfs/dbraw/zinc/67/31/06/371673106.db2.gz ZKXCUFSTOAOSMD-XHSDSOJGSA-N 2 1 285.391 2.126 20 30 CEEDMP C=CCOc1cccc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000261981923 371788459 /nfs/dbraw/zinc/78/84/59/371788459.db2.gz JIGPIZSQRMZNHG-KRWDZBQOSA-N 2 1 272.392 2.437 20 30 CEEDMP C=CCOc1cccc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000261981923 371788460 /nfs/dbraw/zinc/78/84/60/371788460.db2.gz JIGPIZSQRMZNHG-KRWDZBQOSA-N 2 1 272.392 2.437 20 30 CEEDMP CC[N@H+]1CC[C@H](CNC(=[NH2+])Nc2ccc(C)c(C)c2)C1 ZINC000264084079 371965699 /nfs/dbraw/zinc/96/56/99/371965699.db2.gz ILSRTTVSOJZMCU-CQSZACIVSA-N 2 1 274.412 2.372 20 30 CEEDMP CC(C)CNC(=[NH2+])NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000264088878 371966782 /nfs/dbraw/zinc/96/67/82/371966782.db2.gz KLXKDBWGYPLHMR-CYBMUJFWSA-N 2 1 294.468 2.445 20 30 CEEDMP CCCNC(=[NH2+])NCc1ccccc1C[N@@H+](C)C(C)C ZINC000264125600 371973824 /nfs/dbraw/zinc/97/38/24/371973824.db2.gz SDMRCFSKWDEHOO-UHFFFAOYSA-N 2 1 276.428 2.341 20 30 CEEDMP C[NH+](C)CC1CC[NH+](Cc2ccc(F)cc2C#N)CC1 ZINC000344198621 217095055 /nfs/dbraw/zinc/09/50/55/217095055.db2.gz MXCMXLZCDKQGGL-UHFFFAOYSA-N 2 1 275.371 2.471 20 30 CEEDMP C[N@H+](CCC[NH+]1CCCC1)CCOc1cccc(C#N)c1 ZINC000270533281 372828834 /nfs/dbraw/zinc/82/88/34/372828834.db2.gz FWRVDAOLOZKPMX-UHFFFAOYSA-N 2 1 287.407 2.355 20 30 CEEDMP C[N@@H+](CCC[NH+]1CCCC1)CCOc1cccc(C#N)c1 ZINC000270533281 372828850 /nfs/dbraw/zinc/82/88/50/372828850.db2.gz FWRVDAOLOZKPMX-UHFFFAOYSA-N 2 1 287.407 2.355 20 30 CEEDMP C=CC[C@H](C)[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000368426146 373240165 /nfs/dbraw/zinc/24/01/65/373240165.db2.gz UTRIDXWEQHGVMX-FXUDXRNXSA-N 2 1 266.429 2.430 20 30 CEEDMP C=CC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000368426146 373240169 /nfs/dbraw/zinc/24/01/69/373240169.db2.gz UTRIDXWEQHGVMX-FXUDXRNXSA-N 2 1 266.429 2.430 20 30 CEEDMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2cccc(C#N)c2)CCCO1 ZINC000277661460 374599886 /nfs/dbraw/zinc/59/98/86/374599886.db2.gz FLXIRGXEQQKEEM-HNNXBMFYSA-N 2 1 287.407 2.149 20 30 CEEDMP CC#CC[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000280294174 375160568 /nfs/dbraw/zinc/16/05/68/375160568.db2.gz FJVDKISXXGPLKA-CALCHBBNSA-N 2 1 254.377 2.074 20 30 CEEDMP CC#CC[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000280294174 375160574 /nfs/dbraw/zinc/16/05/74/375160574.db2.gz FJVDKISXXGPLKA-CALCHBBNSA-N 2 1 254.377 2.074 20 30 CEEDMP CC#CC[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000280294174 375160578 /nfs/dbraw/zinc/16/05/78/375160578.db2.gz FJVDKISXXGPLKA-CALCHBBNSA-N 2 1 254.377 2.074 20 30 CEEDMP CC#CC[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000280294174 375160587 /nfs/dbraw/zinc/16/05/87/375160587.db2.gz FJVDKISXXGPLKA-CALCHBBNSA-N 2 1 254.377 2.074 20 30 CEEDMP COc1cc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)ccc1C#N ZINC000414786761 375969609 /nfs/dbraw/zinc/96/96/09/375969609.db2.gz UUKYRQUBRRQXBR-IRXDYDNUSA-N 2 1 299.418 2.388 20 30 CEEDMP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)Cc1ccc(C#N)cc1F ZINC000290350283 376743342 /nfs/dbraw/zinc/74/33/42/376743342.db2.gz FZVFUSNKUPYLID-BLLLJJGKSA-N 2 1 275.371 2.469 20 30 CEEDMP C=CCC[N@@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000420972376 376751221 /nfs/dbraw/zinc/75/12/21/376751221.db2.gz AQIDXGQWPRPYFE-UHFFFAOYSA-N 2 1 265.445 2.055 20 30 CEEDMP COc1cc(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])ccc1C#N ZINC000423128680 377028382 /nfs/dbraw/zinc/02/83/82/377028382.db2.gz WETNABZCVDGJIT-GJZGRUSLSA-N 2 1 273.380 2.316 20 30 CEEDMP C=CCc1cc(C[NH2+]C[C@H](C)C[NH+](C)C)cc(OC)c1O ZINC000291704640 377206833 /nfs/dbraw/zinc/20/68/33/377206833.db2.gz KMZIHNJPOQJTGY-ZDUSSCGKSA-N 2 1 292.423 2.417 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](c1cccnc1)C1CCC1 ZINC000294898640 378027894 /nfs/dbraw/zinc/02/78/94/378027894.db2.gz FJTKFVJDDNFOCW-QGZVFWFLSA-N 2 1 271.408 2.468 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](c1cccnc1)C1CCC1 ZINC000294898640 378027900 /nfs/dbraw/zinc/02/79/00/378027900.db2.gz FJTKFVJDDNFOCW-QGZVFWFLSA-N 2 1 271.408 2.468 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1cccc(OC)c1 ZINC000294996797 378033922 /nfs/dbraw/zinc/03/39/22/378033922.db2.gz LTJZRDQBZMGUDD-CQSZACIVSA-N 2 1 260.381 2.301 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1cccc(OC)c1 ZINC000294996797 378033927 /nfs/dbraw/zinc/03/39/27/378033927.db2.gz LTJZRDQBZMGUDD-CQSZACIVSA-N 2 1 260.381 2.301 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)Cc1ccc(F)cc1 ZINC000295095307 378041621 /nfs/dbraw/zinc/04/16/21/378041621.db2.gz VHCLFDZDJIFEJD-AWEZNQCLSA-N 2 1 262.372 2.301 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)Cc1ccc(F)cc1 ZINC000295095307 378041628 /nfs/dbraw/zinc/04/16/28/378041628.db2.gz VHCLFDZDJIFEJD-AWEZNQCLSA-N 2 1 262.372 2.301 20 30 CEEDMP C=CCc1cc(C[NH2+]C2CC[NH+](C)CC2)cc(OC)c1O ZINC000266111184 190231308 /nfs/dbraw/zinc/23/13/08/190231308.db2.gz MWOIVFBXHXCERW-UHFFFAOYSA-N 2 1 290.407 2.313 20 30 CEEDMP CC1CC[NH+](C[C@H]2CCC[N@H+](CCOCCC#N)C2)CC1 ZINC000338943159 394933917 /nfs/dbraw/zinc/93/39/17/394933917.db2.gz UEYSSOAINMEVCW-KRWDZBQOSA-N 2 1 293.455 2.361 20 30 CEEDMP CC1CC[NH+](C[C@H]2CCC[N@@H+](CCOCCC#N)C2)CC1 ZINC000338943159 394933918 /nfs/dbraw/zinc/93/39/18/394933918.db2.gz UEYSSOAINMEVCW-KRWDZBQOSA-N 2 1 293.455 2.361 20 30 CEEDMP C=C(C)C[NH+]1CCC(N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000152941198 394999660 /nfs/dbraw/zinc/99/96/60/394999660.db2.gz QVZFJJFBOKZKIL-GOEBONIOSA-N 3 1 265.445 2.099 20 30 CEEDMP Cc1cc(C[NH2+]CC2=CC[N@@H+](C)CC2)ccc1C#N ZINC000443983948 395408517 /nfs/dbraw/zinc/40/85/17/395408517.db2.gz FDUOYXUEADHZGT-UHFFFAOYSA-N 2 1 255.365 2.218 20 30 CEEDMP C[C@H](c1cccc(C#N)c1)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193622672 153237617 /nfs/dbraw/zinc/23/76/17/153237617.db2.gz GWJXMTXUNMLJPF-WQVCFCJDSA-N 2 1 255.365 2.113 20 30 CEEDMP C[C@H](c1cccc(C#N)c1)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193622672 153237621 /nfs/dbraw/zinc/23/76/21/153237621.db2.gz GWJXMTXUNMLJPF-WQVCFCJDSA-N 2 1 255.365 2.113 20 30 CEEDMP C[C@H](c1cccc(C#N)c1)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193622672 153237623 /nfs/dbraw/zinc/23/76/23/153237623.db2.gz GWJXMTXUNMLJPF-WQVCFCJDSA-N 2 1 255.365 2.113 20 30 CEEDMP C[C@H](c1cccc(C#N)c1)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193622672 153237626 /nfs/dbraw/zinc/23/76/26/153237626.db2.gz GWJXMTXUNMLJPF-WQVCFCJDSA-N 2 1 255.365 2.113 20 30 CEEDMP C=CCCn1cc(C[NH+]2CCC(CC[NH+](C)C)CC2)nn1 ZINC000653504268 415018170 /nfs/dbraw/zinc/01/81/70/415018170.db2.gz NOELGJKCXUSOCP-UHFFFAOYSA-N 2 1 291.443 2.018 20 30 CEEDMP C=CC[N@H+](CCCC1CC[NH2+]CC1)[C@H](C)COC ZINC000662298824 415763148 /nfs/dbraw/zinc/76/31/48/415763148.db2.gz HLRPGVYOWNMKMI-CQSZACIVSA-N 2 1 254.418 2.289 20 30 CEEDMP CC(C)c1cccc(NC(=[NH2+])NC[C@@H](C)[NH+](C)C)c1 ZINC000264110750 262873524 /nfs/dbraw/zinc/87/35/24/262873524.db2.gz QUJDAAQVNJQMLS-GFCCVEGCSA-N 2 1 262.401 2.487 20 30 CEEDMP CCC[N@H+](C)[C@H](CNC(=[NH2+])NC)c1ccc(Cl)cc1 ZINC000285014591 263089177 /nfs/dbraw/zinc/08/91/77/263089177.db2.gz IWBBXLKYBRMCJA-CYBMUJFWSA-N 2 1 282.819 2.257 20 30 CEEDMP CCC[N@@H+](C)[C@H](CNC(=[NH2+])NC)c1ccc(Cl)cc1 ZINC000285014591 263089178 /nfs/dbraw/zinc/08/91/78/263089178.db2.gz IWBBXLKYBRMCJA-CYBMUJFWSA-N 2 1 282.819 2.257 20 30 CEEDMP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccc(OCC#N)cc3)C2)C1 ZINC000292065932 263127965 /nfs/dbraw/zinc/12/79/65/263127965.db2.gz DBRAREAHODYXOS-QGZVFWFLSA-N 2 1 285.391 2.117 20 30 CEEDMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccc(OCC#N)cc3)C2)C1 ZINC000292065932 263127966 /nfs/dbraw/zinc/12/79/66/263127966.db2.gz DBRAREAHODYXOS-QGZVFWFLSA-N 2 1 285.391 2.117 20 30 CEEDMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccc(OCC#N)cc3)C2)C1 ZINC000292065932 263127967 /nfs/dbraw/zinc/12/79/67/263127967.db2.gz DBRAREAHODYXOS-QGZVFWFLSA-N 2 1 285.391 2.117 20 30 CEEDMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccc(OCC#N)cc3)C2)C1 ZINC000292065932 263127968 /nfs/dbraw/zinc/12/79/68/263127968.db2.gz DBRAREAHODYXOS-QGZVFWFLSA-N 2 1 285.391 2.117 20 30 CEEDMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCC[C@@H]3O[C@H](CC#N)C[C@H]32)CC1 ZINC000366691515 263132513 /nfs/dbraw/zinc/13/25/13/263132513.db2.gz BSBROURUULZYLB-TWMKSMIVSA-N 2 1 289.423 2.078 20 30 CEEDMP C#C[C@H]([NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C)C(C)C ZINC000368036382 267139093 /nfs/dbraw/zinc/13/90/93/267139093.db2.gz ISJBPTLVWQZEIZ-WCXIOVBPSA-N 2 1 278.440 2.123 20 30 CEEDMP C#C[C@H]([NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C)C(C)C ZINC000368036382 267139097 /nfs/dbraw/zinc/13/90/97/267139097.db2.gz ISJBPTLVWQZEIZ-WCXIOVBPSA-N 2 1 278.440 2.123 20 30 CEEDMP C=C(C)CNC(=[NH2+])NC[C@@H]1CC[N@H+](C)[C@H]1c1cccs1 ZINC000370161399 267296053 /nfs/dbraw/zinc/29/60/53/267296053.db2.gz KFTWPDFXTVEBNL-GXTWGEPZSA-N 2 1 292.452 2.431 20 30 CEEDMP CC#CC[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000377266623 268062048 /nfs/dbraw/zinc/06/20/48/268062048.db2.gz LCPJFQUHBAJABT-UHFFFAOYSA-N 2 1 291.483 2.138 20 30 CEEDMP CC[NH+]=C(NCC[N@@H+](C)C(C)C)N1CCc2ccccc21 ZINC000263272665 330051398 /nfs/dbraw/zinc/05/13/98/330051398.db2.gz XHOHJSFWWRGKGK-UHFFFAOYSA-N 2 1 288.439 2.355 20 30 CEEDMP C=C(C)C[NH+]1CCC(N[C@H]2CC[NH2+]CC[C@@H]2C)CC1 ZINC000422974519 330164684 /nfs/dbraw/zinc/16/46/84/330164684.db2.gz FAQAZVMXINGRRO-HOCLYGCPSA-N 2 1 265.445 2.005 20 30 CEEDMP CC(C)(CCC#N)C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000423130001 330171673 /nfs/dbraw/zinc/17/16/73/330171673.db2.gz RQDZTOQGICPABC-RBSFLKMASA-N 2 1 279.428 2.063 20 30 CEEDMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424378880 330349082 /nfs/dbraw/zinc/34/90/82/330349082.db2.gz UEMWFULRNHEPKQ-BVUBDWEXSA-N 2 1 257.381 2.227 20 30 CEEDMP CC(C)(C#N)CCC[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000564216881 333665449 /nfs/dbraw/zinc/66/54/49/333665449.db2.gz YMWZFJCJVOIKNX-UHFFFAOYSA-N 2 1 293.455 2.143 20 30 CEEDMP C=C(C)C[NH2+][C@H]1CC[N@H+](CCCOCC)C[C@@H]1C ZINC000249171667 334329213 /nfs/dbraw/zinc/32/92/13/334329213.db2.gz BRJXEOMTRCWHOL-GJZGRUSLSA-N 2 1 254.418 2.289 20 30 CEEDMP C[C@@H](c1ccncc1)N1CCC([NH2+]CCC#N)CC1 ZINC000581066934 336002943 /nfs/dbraw/zinc/00/29/43/336002943.db2.gz NZDYFFARCCWTDZ-ZDUSSCGKSA-N 2 1 258.369 2.110 20 30 CEEDMP C=CCOc1ccc(C[N@H+]2CC[C@@H](C[NH2+]C)C2)cc1 ZINC000347073745 526872235 /nfs/dbraw/zinc/87/22/35/526872235.db2.gz SLELMYOOENCGPJ-HNNXBMFYSA-N 2 1 260.381 2.293 20 30 CEEDMP C=CCOc1ccc(C[N@@H+]2CC[C@@H](C[NH2+]C)C2)cc1 ZINC000347073745 526872239 /nfs/dbraw/zinc/87/22/39/526872239.db2.gz SLELMYOOENCGPJ-HNNXBMFYSA-N 2 1 260.381 2.293 20 30 CEEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C[C@H]1C ZINC000947551589 613753190 /nfs/dbraw/zinc/75/31/90/613753190.db2.gz MTHJODTWWYXJBN-UKRRQHHQSA-N 2 1 298.390 2.103 20 30 CEEDMP C=CCC[C@@H](CC)[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000925795019 628840262 /nfs/dbraw/zinc/84/02/62/628840262.db2.gz NAJODOPNNGTGHB-HUUCEWRRSA-N 2 1 266.429 2.480 20 30 CEEDMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cccc(C#N)c2)C1 ZINC000067222790 629174968 /nfs/dbraw/zinc/17/49/68/629174968.db2.gz OODSJKJLLMEWJQ-INIZCTEOSA-N 2 1 257.381 2.380 20 30 CEEDMP CC[C@]1(C)CCN(C(NC[C@@H]2CC[N@H+](C3CC3)C2)=[NH+]C)C1 ZINC000261808782 629249596 /nfs/dbraw/zinc/24/95/96/629249596.db2.gz SFWYVKAZJXEKJH-WMLDXEAASA-N 2 1 292.471 2.168 20 30 CEEDMP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2CC#Cc2ccccc2)C1 ZINC000894497138 629491463 /nfs/dbraw/zinc/49/14/63/629491463.db2.gz USWLTUVYKGUNAS-MSOLQXFVSA-N 2 1 268.404 2.454 20 30 CEEDMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2CC#Cc2ccccc2)C1 ZINC000894497138 629491466 /nfs/dbraw/zinc/49/14/66/629491466.db2.gz USWLTUVYKGUNAS-MSOLQXFVSA-N 2 1 268.404 2.454 20 30 CEEDMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2CC#Cc2ccccc2)C1 ZINC000894497138 629491469 /nfs/dbraw/zinc/49/14/69/629491469.db2.gz USWLTUVYKGUNAS-MSOLQXFVSA-N 2 1 268.404 2.454 20 30 CEEDMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2CC#Cc2ccccc2)C1 ZINC000894497138 629491470 /nfs/dbraw/zinc/49/14/70/629491470.db2.gz USWLTUVYKGUNAS-MSOLQXFVSA-N 2 1 268.404 2.454 20 30 CEEDMP CC(=[NH+]n1cc(Br)cn1)C1CC[NH+](C)CC1 ZINC000814884277 632913434 /nfs/dbraw/zinc/91/34/34/632913434.db2.gz GGMBKBXVKLCZQR-UHFFFAOYSA-N 2 1 285.189 2.211 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)Cc1ccccc1C ZINC000815652274 633043583 /nfs/dbraw/zinc/04/35/83/633043583.db2.gz VURUMVNSZQELMR-MRXNPFEDSA-N 2 1 258.409 2.471 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)Cc1ccccc1C ZINC000815652274 633043587 /nfs/dbraw/zinc/04/35/87/633043587.db2.gz VURUMVNSZQELMR-MRXNPFEDSA-N 2 1 258.409 2.471 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000815652672 633043718 /nfs/dbraw/zinc/04/37/18/633043718.db2.gz MUQBZWBCJZQHCR-GOSISDBHSA-N 2 1 281.403 2.480 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000815652672 633043724 /nfs/dbraw/zinc/04/37/24/633043724.db2.gz MUQBZWBCJZQHCR-GOSISDBHSA-N 2 1 281.403 2.480 20 30 CEEDMP Cc1cc(C#N)cc(C)c1C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000903447306 635133010 /nfs/dbraw/zinc/13/30/10/635133010.db2.gz NUIGOJLCSTXBMJ-ZFWWWQNUSA-N 2 1 257.381 2.344 20 30 CEEDMP N#Cc1ccc(CC[N@H+]2CCC[C@@H]3CC[C@@]32CN)cc1 ZINC000903801666 635278755 /nfs/dbraw/zinc/27/87/55/635278755.db2.gz OWPSWLDPEHKNTH-IAGOWNOFSA-N 2 1 269.392 2.304 20 30 CEEDMP N#Cc1ccc(CC[N@@H+]2CCC[C@@H]3CC[C@@]32CN)cc1 ZINC000903801666 635278758 /nfs/dbraw/zinc/27/87/58/635278758.db2.gz OWPSWLDPEHKNTH-IAGOWNOFSA-N 2 1 269.392 2.304 20 30 CEEDMP N#Cc1ccc(CC[N@H+]2CCC[C@@H]3CC[C@@]32C[NH3+])cc1 ZINC000903801666 635278762 /nfs/dbraw/zinc/27/87/62/635278762.db2.gz OWPSWLDPEHKNTH-IAGOWNOFSA-N 2 1 269.392 2.304 20 30 CEEDMP N#Cc1ccc(CC[N@@H+]2CCC[C@@H]3CC[C@@]32C[NH3+])cc1 ZINC000903801666 635278765 /nfs/dbraw/zinc/27/87/65/635278765.db2.gz OWPSWLDPEHKNTH-IAGOWNOFSA-N 2 1 269.392 2.304 20 30 CEEDMP C=CCNC(NC[C@H]1CC[N@H+](C(C)C)C1)=[NH+]C(C)(C)C ZINC000912497332 638720206 /nfs/dbraw/zinc/72/02/06/638720206.db2.gz RAKIMAJRJQFHMV-CQSZACIVSA-N 2 1 280.460 2.236 20 30 CEEDMP C[C@@H](C#N)Oc1ccc(C[NH2+]C2CC[NH+](C)CC2)cc1 ZINC000173359585 639852847 /nfs/dbraw/zinc/85/28/47/639852847.db2.gz LNOCKOMFTLWPQK-ZDUSSCGKSA-N 2 1 273.380 2.161 20 30 CEEDMP C=CC[N@@H+]1CCC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@H]1C ZINC000993542342 640654854 /nfs/dbraw/zinc/65/48/54/640654854.db2.gz ZKYYDWUZBIZMIQ-CJNGLKHVSA-N 2 1 298.390 2.103 20 30 CEEDMP C=C(C)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC000998865646 642442298 /nfs/dbraw/zinc/44/22/98/642442298.db2.gz GPDPPOGSFWNJCT-GPANFISMSA-N 2 1 293.455 2.016 20 30 CEEDMP COCC[N@@H+](C[C@@H](C)CCC#N)CC1CC[NH+](C)CC1 ZINC000877664264 650839933 /nfs/dbraw/zinc/83/99/33/650839933.db2.gz LQWQXOBRMLATEW-HNNXBMFYSA-N 2 1 281.444 2.216 20 30 CEEDMP C=C(C)[C@@H](CO)[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859212992 645422355 /nfs/dbraw/zinc/42/23/55/645422355.db2.gz SECUJOYBZKEMQN-MRXNPFEDSA-N 2 1 262.397 2.117 20 30 CEEDMP C#CC[N@H+](CC)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000769107457 646207361 /nfs/dbraw/zinc/20/73/61/646207361.db2.gz VPOLZICAPOPLCD-UHFFFAOYSA-N 2 1 260.381 2.082 20 30 CEEDMP C[C@H]([NH2+][C@H]1Cc2ccc(C#N)cc2C1)c1c[nH+]ccc1N ZINC000873275652 649621634 /nfs/dbraw/zinc/62/16/34/649621634.db2.gz MTAZSJVAFMRLTD-NHYWBVRUSA-N 2 1 278.359 2.184 20 30 CEEDMP C=CC[C@H](C)[NH+]1CCC([NH+](CCOC)CCOC)CC1 ZINC000878611273 651141664 /nfs/dbraw/zinc/14/16/64/651141664.db2.gz PQLZNGOLXYNPQU-HNNXBMFYSA-N 2 1 284.444 2.010 20 30 CEEDMP C=C(Cl)C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000878744292 651177663 /nfs/dbraw/zinc/17/76/63/651177663.db2.gz RDSWGAZBGJAODH-UHFFFAOYSA-N 2 1 251.761 2.346 20 30 CEEDMP C=C(Cl)C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000878744292 651177665 /nfs/dbraw/zinc/17/76/65/651177665.db2.gz RDSWGAZBGJAODH-UHFFFAOYSA-N 2 1 251.761 2.346 20 30 CEEDMP C#CCCCCC[N@H+](CCOC)CC1CC[NH+](C)CC1 ZINC000879126593 651247387 /nfs/dbraw/zinc/24/73/87/651247387.db2.gz KNXXXXQJOWNZFC-UHFFFAOYSA-N 2 1 280.456 2.470 20 30 CEEDMP C=C(CC)C[N@@H+](CCOC)CC1CC[NH+](C)CC1 ZINC000879126577 651247392 /nfs/dbraw/zinc/24/73/92/651247392.db2.gz JUWSYBLCVPCOEM-UHFFFAOYSA-N 2 1 254.418 2.243 20 30 CEEDMP C[N@@H+]1CC[C@@H]2C[NH+](CCCOc3cccc(C#N)c3)CC[C@H]21 ZINC000879575496 651324959 /nfs/dbraw/zinc/32/49/59/651324959.db2.gz LAEBROCYYNBMMX-SJLPKXTDSA-N 2 1 299.418 2.353 20 30 CEEDMP C[N@H+]1CC[C@@H]2C[NH+](CCCOc3cccc(C#N)c3)CC[C@H]21 ZINC000879575496 651324962 /nfs/dbraw/zinc/32/49/62/651324962.db2.gz LAEBROCYYNBMMX-SJLPKXTDSA-N 2 1 299.418 2.353 20 30 CEEDMP C[NH+]1CC[C@@H]2C[N@H+](CCCOc3cccc(C#N)c3)CC[C@H]21 ZINC000879575496 651324964 /nfs/dbraw/zinc/32/49/64/651324964.db2.gz LAEBROCYYNBMMX-SJLPKXTDSA-N 2 1 299.418 2.353 20 30 CEEDMP C[NH+]1CC[C@@H]2C[N@@H+](CCCOc3cccc(C#N)c3)CC[C@H]21 ZINC000879575496 651324965 /nfs/dbraw/zinc/32/49/65/651324965.db2.gz LAEBROCYYNBMMX-SJLPKXTDSA-N 2 1 299.418 2.353 20 30 CEEDMP C[C@@H]1C[N@H+]([C@@H]2CC[C@@H](C#N)C2)CCN1c1cc[nH+]cc1 ZINC000880259782 651412073 /nfs/dbraw/zinc/41/20/73/651412073.db2.gz IRKAGUUIHSFWEX-IIAWOOMASA-N 2 1 270.380 2.284 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+]Cc1cc(F)cc2cccnc21 ZINC000883131213 652372655 /nfs/dbraw/zinc/37/26/55/652372655.db2.gz OVMQOYDRGCGCAH-UHFFFAOYSA-N 2 1 285.366 2.419 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1cc(F)cc2cccnc21 ZINC000883131213 652372658 /nfs/dbraw/zinc/37/26/58/652372658.db2.gz OVMQOYDRGCGCAH-UHFFFAOYSA-N 2 1 285.366 2.419 20 30 CEEDMP C=CCC[C@@H]([NH2+]CCn1cc[nH+]c1C)[C@@H]1CCCO1 ZINC000883182751 652391819 /nfs/dbraw/zinc/39/18/19/652391819.db2.gz JRJPMJNMSOKBFD-CABCVRRESA-N 2 1 263.385 2.295 20 30 CEEDMP C=CCC[C@H]([NH2+]CCn1cc[nH+]c1C)[C@H]1CCCO1 ZINC000883182754 652392150 /nfs/dbraw/zinc/39/21/50/652392150.db2.gz JRJPMJNMSOKBFD-LSDHHAIUSA-N 2 1 263.385 2.295 20 30 CEEDMP C[NH+](C)C1CCC([NH+]2CC(Oc3ccccc3C#N)C2)CC1 ZINC001168329847 806659181 /nfs/dbraw/zinc/65/91/81/806659181.db2.gz JIGNKAQBKPLJBH-UHFFFAOYSA-N 2 1 299.418 2.494 20 30 CEEDMP C=CCC[C@H](C)[NH2+][C@@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001211278678 802807502 /nfs/dbraw/zinc/80/75/02/802807502.db2.gz UAEKAWDMORMKHA-JKSUJKDBSA-N 2 1 295.471 2.262 20 30 CEEDMP C=CC[N@H+](CCCNC(=O)C[NH+]1CCC(C)CC1)C(C)C ZINC001267328764 803372679 /nfs/dbraw/zinc/37/26/79/803372679.db2.gz HTGDRPCFKNHKEW-UHFFFAOYSA-N 2 1 295.471 2.121 20 30 CEEDMP C[NH+]1CC2(C1)CC[NH+](Cc1ccc(F)cc1C#N)CC2 ZINC001141167067 803764576 /nfs/dbraw/zinc/76/45/76/803764576.db2.gz XCKIUTFNTZGMIP-UHFFFAOYSA-N 2 1 273.355 2.225 20 30 CEEDMP C=CCC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001268103390 804440324 /nfs/dbraw/zinc/44/03/24/804440324.db2.gz BOEFTSZEWYNZAM-BZUAXINKSA-N 2 1 295.471 2.023 20 30 CEEDMP C=CCC[C@H](C)[NH+]1CC[C@H](N(C)C(=O)CC[N@H+](C)CC)C1 ZINC001269287833 805113866 /nfs/dbraw/zinc/11/38/66/805113866.db2.gz NIUCVMFNIROROJ-HOTGVXAUSA-N 2 1 295.471 2.216 20 30 CEEDMP C=CCC[C@H](C)[N@@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)CC)C1 ZINC001269287833 805113870 /nfs/dbraw/zinc/11/38/70/805113870.db2.gz NIUCVMFNIROROJ-HOTGVXAUSA-N 2 1 295.471 2.216 20 30 CEEDMP C=CCC[C@H](C)[N@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)CC)C1 ZINC001269287833 805113876 /nfs/dbraw/zinc/11/38/76/805113876.db2.gz NIUCVMFNIROROJ-HOTGVXAUSA-N 2 1 295.471 2.216 20 30 CEEDMP C=C(C)CC[NH2+][C@@H](CC)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001269454323 805169242 /nfs/dbraw/zinc/16/92/42/805169242.db2.gz LRZCXKVNRJACGF-JYJNAYRXSA-N 2 1 295.471 2.167 20 30 CEEDMP C=C(C)CC[NH+]1CC(NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001030442179 807190285 /nfs/dbraw/zinc/19/02/85/807190285.db2.gz OKONKWHGOZNBKS-MRXNPFEDSA-N 2 1 293.455 2.016 20 30 CEEDMP C=C(C)C[NH+]1CC[C@](C)(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001046316307 807545544 /nfs/dbraw/zinc/54/55/44/807545544.db2.gz NUJSRVBHDNPDAK-WBVHZDCISA-N 2 1 293.455 2.016 20 30 CEEDMP C=C(C)C[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001046316307 807545547 /nfs/dbraw/zinc/54/55/47/807545547.db2.gz NUJSRVBHDNPDAK-WBVHZDCISA-N 2 1 293.455 2.016 20 30 CEEDMP C=C(C)C[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001046316307 807545552 /nfs/dbraw/zinc/54/55/52/807545552.db2.gz NUJSRVBHDNPDAK-WBVHZDCISA-N 2 1 293.455 2.016 20 30 CEEDMP C#CC[C@@H](CO)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716625707 815137373 /nfs/dbraw/zinc/13/73/73/815137373.db2.gz LZKPLWRMRCZQEC-VJANTYMQSA-N 2 1 298.430 2.013 20 30 CEEDMP C=CCC[C@H](C)[NH2+]CCCNC(=O)CC[N@H+](C)CCC ZINC001171724968 815218010 /nfs/dbraw/zinc/21/80/10/815218010.db2.gz APSZCCYTJKSBFH-HNNXBMFYSA-N 2 1 283.460 2.169 20 30 CEEDMP C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001033271245 809252913 /nfs/dbraw/zinc/25/29/13/809252913.db2.gz IBUVCIPSHCAPNC-MRXNPFEDSA-N 2 1 298.390 2.057 20 30 CEEDMP N#Cc1cccc(CCC[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c1 ZINC001206157579 815290363 /nfs/dbraw/zinc/29/03/63/815290363.db2.gz ZRSWORLIGQMVCN-HZPDHXFCSA-N 2 1 275.371 2.252 20 30 CEEDMP N#Cc1cccc(CCC[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c1 ZINC001206157579 815290366 /nfs/dbraw/zinc/29/03/66/815290366.db2.gz ZRSWORLIGQMVCN-HZPDHXFCSA-N 2 1 275.371 2.252 20 30 CEEDMP C[N@@H+](CCCCCC[NH3+])C[C@@H](O)c1ccc(C#N)cc1 ZINC000710800349 809993998 /nfs/dbraw/zinc/99/39/98/809993998.db2.gz WDDWMFOLNUGHKZ-MRXNPFEDSA-N 2 1 275.396 2.043 20 30 CEEDMP C=CC[NH+]1CCC(NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000172621130 810409234 /nfs/dbraw/zinc/40/92/34/810409234.db2.gz ONLGNNYUJVFXSU-MRXNPFEDSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001019632588 810725382 /nfs/dbraw/zinc/72/53/82/810725382.db2.gz RTMAMQQIZFIJFW-JKSUJKDBSA-N 2 1 293.455 2.018 20 30 CEEDMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(F)c(C#N)c1)C2 ZINC001169100477 811375104 /nfs/dbraw/zinc/37/51/04/811375104.db2.gz JQTDRMYTOXWMAR-QDMKHBRRSA-N 2 1 273.355 2.412 20 30 CEEDMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(F)c(C#N)c1)C2 ZINC001169100477 811375113 /nfs/dbraw/zinc/37/51/13/811375113.db2.gz JQTDRMYTOXWMAR-QDMKHBRRSA-N 2 1 273.355 2.412 20 30 CEEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)C2 ZINC001109464405 811894208 /nfs/dbraw/zinc/89/42/08/811894208.db2.gz YXIOKIJVPMLOJM-ILXRZTDVSA-N 2 1 293.455 2.014 20 30 CEEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+](C)CC)C2 ZINC001109464405 811894217 /nfs/dbraw/zinc/89/42/17/811894217.db2.gz YXIOKIJVPMLOJM-ILXRZTDVSA-N 2 1 293.455 2.014 20 30 CEEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+](C)CC)C2 ZINC001109464405 811894220 /nfs/dbraw/zinc/89/42/20/811894220.db2.gz YXIOKIJVPMLOJM-ILXRZTDVSA-N 2 1 293.455 2.014 20 30 CEEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](CC)CC)C2 ZINC001109868206 811963861 /nfs/dbraw/zinc/96/38/61/811963861.db2.gz GRUQGJDLFYZDMR-PMPSAXMXSA-N 2 1 293.455 2.016 20 30 CEEDMP N#Cc1ccc2[nH]cc(C[N@@H+]3CC[C@H]([NH3+])[C@@H](F)CC3)c2c1 ZINC001206173258 815490531 /nfs/dbraw/zinc/49/05/31/815490531.db2.gz GFFOYILNELDCQO-GJZGRUSLSA-N 2 1 286.354 2.301 20 30 CEEDMP C=CCCC[NH2+]CCNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001130622451 812591247 /nfs/dbraw/zinc/59/12/47/812591247.db2.gz JCYMZUBFQZZBSQ-UHFFFAOYSA-N 2 1 295.471 2.311 20 30 CEEDMP C=CCC[N@@H+]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)CC[C@@H]1C ZINC001132106963 812787976 /nfs/dbraw/zinc/78/79/76/812787976.db2.gz WPXFYBSZIQVUJF-LSDHHAIUSA-N 2 1 293.455 2.016 20 30 CEEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)CC[C@H]1C ZINC001132105835 812788208 /nfs/dbraw/zinc/78/82/08/812788208.db2.gz NOTSQATYSAYTHY-CABCVRRESA-N 2 1 293.455 2.016 20 30 CEEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)CC[C@H]1C ZINC001132105835 812788210 /nfs/dbraw/zinc/78/82/10/812788210.db2.gz NOTSQATYSAYTHY-CABCVRRESA-N 2 1 293.455 2.016 20 30 CEEDMP C=CCCC[N@H+]1C[C@H](NC(=O)C[NH+](CC)CC)CC[C@@H]1C ZINC001132377743 812838504 /nfs/dbraw/zinc/83/85/04/812838504.db2.gz ZUVWHLDLQZMZQD-JKSUJKDBSA-N 2 1 295.471 2.264 20 30 CEEDMP C=CC[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)CC[C@H]1C ZINC001132517418 812871945 /nfs/dbraw/zinc/87/19/45/812871945.db2.gz CCAVAFSADUEDDX-CVEARBPZSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C(C)(C)[N@H+](C)CC ZINC001134773740 813323162 /nfs/dbraw/zinc/32/31/62/813323162.db2.gz RCPWYJDOZPDLSK-ZIAGYGMSSA-N 2 1 283.460 2.166 20 30 CEEDMP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001170863643 813559383 /nfs/dbraw/zinc/55/93/83/813559383.db2.gz XHXWDDKFCXFDLK-ARFHVFGLSA-N 2 1 295.471 2.167 20 30 CEEDMP C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC001246090870 813680237 /nfs/dbraw/zinc/68/02/37/813680237.db2.gz MFVSUGROYRXBNH-CZUORRHYSA-N 2 1 257.381 2.221 20 30 CEEDMP CCCCCCC[NH2+]CCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001171226265 814191532 /nfs/dbraw/zinc/19/15/32/814191532.db2.gz DRXLWCNJKSSFGN-INIZCTEOSA-N 2 1 297.487 2.395 20 30 CEEDMP C=CCC[NH2+]C1(CNC(=O)CC[N@H+](C)CC)CCCCC1 ZINC001115806149 814757653 /nfs/dbraw/zinc/75/76/53/814757653.db2.gz OMMYAVBCBWGPDV-UHFFFAOYSA-N 2 1 295.471 2.313 20 30 CEEDMP Cc1cc(C#N)ccc1C[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206196650 815624860 /nfs/dbraw/zinc/62/48/60/815624860.db2.gz CJDGACICFOSVMK-LSDHHAIUSA-N 2 1 261.344 2.128 20 30 CEEDMP CC[N@@H+]1C[C@@H]2C[NH+](C3CCC(CC#N)CC3)C[C@@H]2C1 ZINC001173340733 815683595 /nfs/dbraw/zinc/68/35/95/815683595.db2.gz KCIKXSVNZIIRBL-IRHLINNNSA-N 2 1 261.413 2.342 20 30 CEEDMP CC[NH+]1C[C@@H]2C[N@H+](C3CCC(CC#N)CC3)C[C@@H]2C1 ZINC001173340733 815683600 /nfs/dbraw/zinc/68/36/00/815683600.db2.gz KCIKXSVNZIIRBL-IRHLINNNSA-N 2 1 261.413 2.342 20 30 CEEDMP CC[NH+]1C[C@@H]2C[N@@H+](C3CCC(CC#N)CC3)C[C@@H]2C1 ZINC001173340733 815683605 /nfs/dbraw/zinc/68/36/05/815683605.db2.gz KCIKXSVNZIIRBL-IRHLINNNSA-N 2 1 261.413 2.342 20 30 CEEDMP C[NH+](C)CCC[N@H+](C)Cc1c[nH]c2c1cccc2C#N ZINC001139701623 816088124 /nfs/dbraw/zinc/08/81/24/816088124.db2.gz MWFDHVVFTPSTRA-UHFFFAOYSA-N 2 1 270.380 2.423 20 30 CEEDMP C[NH+](C)CCC[N@@H+](C)Cc1c[nH]c2c1cccc2C#N ZINC001139701623 816088131 /nfs/dbraw/zinc/08/81/31/816088131.db2.gz MWFDHVVFTPSTRA-UHFFFAOYSA-N 2 1 270.380 2.423 20 30 CEEDMP C=CCC[NH2+]CCCC[C@H](C)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001175263424 816165084 /nfs/dbraw/zinc/16/50/84/816165084.db2.gz POSUYMOZMPMHSG-HOTGVXAUSA-N 2 1 295.471 2.169 20 30 CEEDMP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001175263426 816165164 /nfs/dbraw/zinc/16/51/64/816165164.db2.gz POSUYMOZMPMHSG-HZPDHXFCSA-N 2 1 295.471 2.169 20 30 CEEDMP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001176164681 816365718 /nfs/dbraw/zinc/36/57/18/816365718.db2.gz DGKJPQLGACEVJK-CVEARBPZSA-N 2 1 295.471 2.169 20 30 CEEDMP C=C(C)CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001176566196 816442337 /nfs/dbraw/zinc/44/23/37/816442337.db2.gz ZKOCPKWLLLJXLP-JKSUJKDBSA-N 2 1 295.471 2.169 20 30 CEEDMP C=C(C)CC[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001178045784 816663699 /nfs/dbraw/zinc/66/36/99/816663699.db2.gz VFIPUJAOVLCYJG-MRXNPFEDSA-N 2 1 295.471 2.313 20 30 CEEDMP C=CC[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001178634480 816775149 /nfs/dbraw/zinc/77/51/49/816775149.db2.gz WNSVGDQPQZIVNN-MRXNPFEDSA-N 2 1 295.471 2.313 20 30 CEEDMP C=C(C)C[NH2+]CCCCCCNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001179585468 816885999 /nfs/dbraw/zinc/88/59/99/816885999.db2.gz IMLCNZIKZRPJCM-JKSUJKDBSA-N 2 1 295.471 2.026 20 30 CEEDMP C=CCC1([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CCOCC1 ZINC000668552438 539196672 /nfs/dbraw/zinc/19/66/72/539196672.db2.gz MGEHPAXJEFICQW-CABCVRRESA-N 2 1 264.413 2.328 20 30 CEEDMP C=CCC1([NH2+]C2CC[NH+](CC)CC2)CCOCC1 ZINC000668551530 539196689 /nfs/dbraw/zinc/19/66/89/539196689.db2.gz PLBYRMOBFLUEID-UHFFFAOYSA-N 2 1 252.402 2.186 20 30 CEEDMP CC[N@H+]1CC[C@H](N(C)Cc2cccc(C#N)n2)[C@H](C)C1 ZINC000602474956 347048584 /nfs/dbraw/zinc/04/85/84/347048584.db2.gz JULGRQHKVHJGKB-CJNGLKHVSA-N 2 1 272.396 2.115 20 30 CEEDMP CC[NH+]1CCC([NH2+][C@H](C)CC2(C#N)CCOCC2)CC1 ZINC000602499897 347058648 /nfs/dbraw/zinc/05/86/48/347058648.db2.gz UUGQKPPZBKBXFG-CQSZACIVSA-N 2 1 279.428 2.159 20 30 CEEDMP N#Cc1cccc(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1 ZINC000311565500 344734752 /nfs/dbraw/zinc/73/47/52/344734752.db2.gz LMGLUZSYHDGUGJ-HOTGVXAUSA-N 2 1 255.365 2.119 20 30 CEEDMP Cn1c[nH+]cc1CCC[N@H+](C)Cc1cccc(C#N)c1 ZINC000314376006 344745408 /nfs/dbraw/zinc/74/54/08/344745408.db2.gz PWVNNDFPYYNOEX-UHFFFAOYSA-N 2 1 268.364 2.356 20 30 CEEDMP Cn1c[nH+]cc1CCC[N@@H+](C)Cc1cccc(C#N)c1 ZINC000314376006 344745411 /nfs/dbraw/zinc/74/54/11/344745411.db2.gz PWVNNDFPYYNOEX-UHFFFAOYSA-N 2 1 268.364 2.356 20 30 CEEDMP C[C@H](c1ccc(C#N)cc1)[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000592182164 345335037 /nfs/dbraw/zinc/33/50/37/345335037.db2.gz KXVZKAFSDICTOC-OAHLLOKOSA-N 2 1 299.418 2.416 20 30 CEEDMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CCc2ccc(C#N)cc2)C1 ZINC000595889640 345907273 /nfs/dbraw/zinc/90/72/73/345907273.db2.gz AQWYQRFXEHZOIQ-CJNGLKHVSA-N 2 1 257.381 2.160 20 30 CEEDMP Cc1ccc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)cc1C#N ZINC000599425834 346516357 /nfs/dbraw/zinc/51/63/57/346516357.db2.gz PSIJLXWTEXGRHI-KRWDZBQOSA-N 2 1 269.392 2.394 20 30 CEEDMP Cc1ccc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)cc1C#N ZINC000599425834 346516358 /nfs/dbraw/zinc/51/63/58/346516358.db2.gz PSIJLXWTEXGRHI-KRWDZBQOSA-N 2 1 269.392 2.394 20 30 CEEDMP Cc1ccc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1C#N ZINC000599425834 346516361 /nfs/dbraw/zinc/51/63/61/346516361.db2.gz PSIJLXWTEXGRHI-KRWDZBQOSA-N 2 1 269.392 2.394 20 30 CEEDMP Cc1ccc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1C#N ZINC000599425834 346516362 /nfs/dbraw/zinc/51/63/62/346516362.db2.gz PSIJLXWTEXGRHI-KRWDZBQOSA-N 2 1 269.392 2.394 20 30 CEEDMP Cc1ccc(C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cc1C#N ZINC000600700590 346673520 /nfs/dbraw/zinc/67/35/20/346673520.db2.gz DGHCVWXEFVUING-ZFWWWQNUSA-N 2 1 257.381 2.426 20 30 CEEDMP Cc1ccc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1C#N ZINC000600707704 346674236 /nfs/dbraw/zinc/67/42/36/346674236.db2.gz ADGAEMOVMZWWIM-QGZVFWFLSA-N 2 1 269.392 2.442 20 30 CEEDMP Cc1ccc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1C#N ZINC000600707704 346674238 /nfs/dbraw/zinc/67/42/38/346674238.db2.gz ADGAEMOVMZWWIM-QGZVFWFLSA-N 2 1 269.392 2.442 20 30 CEEDMP Cc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc1C#N ZINC000600710649 346676016 /nfs/dbraw/zinc/67/60/16/346676016.db2.gz PWCCEBHRBBLAJS-BBRMVZONSA-N 2 1 257.381 2.283 20 30 CEEDMP N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)o1 ZINC000600768940 346686680 /nfs/dbraw/zinc/68/66/80/346686680.db2.gz IGBLMMSILPWSBN-SWLSCSKDSA-N 2 1 259.353 2.115 20 30 CEEDMP N#Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)o1 ZINC000600768940 346686683 /nfs/dbraw/zinc/68/66/83/346686683.db2.gz IGBLMMSILPWSBN-SWLSCSKDSA-N 2 1 259.353 2.115 20 30 CEEDMP N#CCC1(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)CC1 ZINC000602785529 347198364 /nfs/dbraw/zinc/19/83/64/347198364.db2.gz UWQGSUURIJXJCN-OAHLLOKOSA-N 2 1 261.413 2.488 20 30 CEEDMP N#CCC1(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)CC1 ZINC000602785529 347198365 /nfs/dbraw/zinc/19/83/65/347198365.db2.gz UWQGSUURIJXJCN-OAHLLOKOSA-N 2 1 261.413 2.488 20 30 CEEDMP C=CC[C@H]1CC[N@H+](CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000625704453 350551297 /nfs/dbraw/zinc/55/12/97/350551297.db2.gz XXLYOFXFVBGVND-KRWDZBQOSA-N 2 1 279.472 2.301 20 30 CEEDMP N#Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000130567359 283143520 /nfs/dbraw/zinc/14/35/20/283143520.db2.gz LUWODUSFCORUMP-XHSDSOJGSA-N 2 1 255.365 2.117 20 30 CEEDMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCOc1ccc(C#N)cc1 ZINC000133652035 366243317 /nfs/dbraw/zinc/24/33/17/366243317.db2.gz HHDAAYUFUAXDOP-JKIFEVAISA-N 2 1 287.407 2.255 20 30 CEEDMP COc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1C#N ZINC000135123211 366397112 /nfs/dbraw/zinc/39/71/12/366397112.db2.gz YMEXGAKWGIJOGF-XJKSGUPXSA-N 2 1 287.407 2.481 20 30 CEEDMP COc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1C#N ZINC000135123211 366397123 /nfs/dbraw/zinc/39/71/23/366397123.db2.gz YMEXGAKWGIJOGF-XJKSGUPXSA-N 2 1 287.407 2.481 20 30 CEEDMP COc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1C#N ZINC000135123211 366397129 /nfs/dbraw/zinc/39/71/29/366397129.db2.gz YMEXGAKWGIJOGF-XJKSGUPXSA-N 2 1 287.407 2.481 20 30 CEEDMP COc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1C#N ZINC000135123211 366397134 /nfs/dbraw/zinc/39/71/34/366397134.db2.gz YMEXGAKWGIJOGF-XJKSGUPXSA-N 2 1 287.407 2.481 20 30 CEEDMP N#Cc1ccccc1OCC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150831797 366599834 /nfs/dbraw/zinc/59/98/34/366599834.db2.gz RDYADPBCPXSXNQ-INIZCTEOSA-N 2 1 299.418 2.355 20 30 CEEDMP N#Cc1ccccc1OCC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150831797 366599842 /nfs/dbraw/zinc/59/98/42/366599842.db2.gz RDYADPBCPXSXNQ-INIZCTEOSA-N 2 1 299.418 2.355 20 30 CEEDMP COCC#CC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000679823670 541320474 /nfs/dbraw/zinc/32/04/74/541320474.db2.gz OJTJZPPZYHBWNX-CQSZACIVSA-N 2 1 283.375 2.481 20 30 CEEDMP N#Cc1ccc(OCC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000090106666 364040896 /nfs/dbraw/zinc/04/08/96/364040896.db2.gz HYPURKMMCYWRQX-HZPDHXFCSA-N 2 1 285.391 2.153 20 30 CEEDMP N#Cc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1F ZINC000334738431 364252792 /nfs/dbraw/zinc/25/27/92/364252792.db2.gz LJMJJIBNFYDWHA-CABCVRRESA-N 2 1 273.355 2.414 20 30 CEEDMP N#Cc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1F ZINC000334738431 364252796 /nfs/dbraw/zinc/25/27/96/364252796.db2.gz LJMJJIBNFYDWHA-CABCVRRESA-N 2 1 273.355 2.414 20 30 CEEDMP N#Cc1ccc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000334992702 364319986 /nfs/dbraw/zinc/31/99/86/364319986.db2.gz KCGVOLCRYVAEPX-MRXNPFEDSA-N 2 1 255.365 2.134 20 30 CEEDMP N#Cc1ccc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000334992702 364319990 /nfs/dbraw/zinc/31/99/90/364319990.db2.gz KCGVOLCRYVAEPX-MRXNPFEDSA-N 2 1 255.365 2.134 20 30 CEEDMP C=CCCC[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000117881239 365130392 /nfs/dbraw/zinc/13/03/92/365130392.db2.gz NYXSLOAFTOFCJH-MRXNPFEDSA-N 2 1 265.445 2.055 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](CC)[C@@H]2CCOC2)CC1 ZINC000153023600 260681080 /nfs/dbraw/zinc/68/10/80/260681080.db2.gz WANKECMFOKHHNA-ZBFHGGJFSA-N 2 1 266.429 2.432 20 30 CEEDMP C=CCOc1ccc(C[NH2+]CCC[NH+]2CCC2)cc1OC ZINC000583944133 367120893 /nfs/dbraw/zinc/12/08/93/367120893.db2.gz DFBGRVRUXRVLSG-UHFFFAOYSA-N 2 1 290.407 2.445 20 30 CEEDMP N#Cc1cccc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000335538331 212235677 /nfs/dbraw/zinc/23/56/77/212235677.db2.gz IVROHWLBINNFJC-IRXDYDNUSA-N 2 1 269.392 2.380 20 30 CEEDMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccc(C#N)o1 ZINC000174350444 368014008 /nfs/dbraw/zinc/01/40/08/368014008.db2.gz OQDRCHGMNXGNHA-NSHDSACASA-N 2 1 258.325 2.082 20 30 CEEDMP COc1cc(C[NH2+]C[C@H](C)C[NH+]2CCCC2)ccc1C#N ZINC000234919650 370549880 /nfs/dbraw/zinc/54/98/80/370549880.db2.gz UREFLJGKTWKEGR-AWEZNQCLSA-N 2 1 287.407 2.388 20 30 CEEDMP COc1cc(C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)ccc1C#N ZINC000234979763 370552362 /nfs/dbraw/zinc/55/23/62/370552362.db2.gz OLJXFEXQFUOCTO-DOMZBBRYSA-N 2 1 273.380 2.126 20 30 CEEDMP COc1cc(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)ccc1C#N ZINC000234979763 370552366 /nfs/dbraw/zinc/55/23/66/370552366.db2.gz OLJXFEXQFUOCTO-DOMZBBRYSA-N 2 1 273.380 2.126 20 30 CEEDMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(C#N)c2)[C@@H](C)C1 ZINC000246819364 371015210 /nfs/dbraw/zinc/01/52/10/371015210.db2.gz CDNWDNHRAKJPEI-XJKSGUPXSA-N 2 1 257.381 2.378 20 30 CEEDMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(C#N)c2)[C@@H](C)C1 ZINC000246819364 371015218 /nfs/dbraw/zinc/01/52/18/371015218.db2.gz CDNWDNHRAKJPEI-XJKSGUPXSA-N 2 1 257.381 2.378 20 30 CEEDMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(C#N)n(C)c2)[C@@H](C)C1 ZINC000248802360 371247244 /nfs/dbraw/zinc/24/72/44/371247244.db2.gz AHRMFSMKXNAWQV-XJKSGUPXSA-N 2 1 274.412 2.059 20 30 CEEDMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(C#N)n(C)c2)[C@@H](C)C1 ZINC000248802360 371247246 /nfs/dbraw/zinc/24/72/46/371247246.db2.gz AHRMFSMKXNAWQV-XJKSGUPXSA-N 2 1 274.412 2.059 20 30 CEEDMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(C#N)n(C)c2)[C@@H](C)C1 ZINC000248802360 371247253 /nfs/dbraw/zinc/24/72/53/371247253.db2.gz AHRMFSMKXNAWQV-XJKSGUPXSA-N 2 1 274.412 2.059 20 30 CEEDMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(C#N)n(C)c2)[C@@H](C)C1 ZINC000248802360 371247254 /nfs/dbraw/zinc/24/72/54/371247254.db2.gz AHRMFSMKXNAWQV-XJKSGUPXSA-N 2 1 274.412 2.059 20 30 CEEDMP CCN(CC)C(=[NH2+])NC[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000264110524 371971845 /nfs/dbraw/zinc/97/18/45/371971845.db2.gz QQXJMLBMTSSFPT-CQSZACIVSA-N 2 1 288.439 2.090 20 30 CEEDMP CCN(CC)C(=[NH2+])NC[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000264110524 371971854 /nfs/dbraw/zinc/97/18/54/371971854.db2.gz QQXJMLBMTSSFPT-CQSZACIVSA-N 2 1 288.439 2.090 20 30 CEEDMP CCN(CC)C(=[NH2+])NC[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000264110520 371972479 /nfs/dbraw/zinc/97/24/79/371972479.db2.gz QQXJMLBMTSSFPT-AWEZNQCLSA-N 2 1 288.439 2.090 20 30 CEEDMP CCN(CC)C(=[NH2+])NC[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000264110520 371972490 /nfs/dbraw/zinc/97/24/90/371972490.db2.gz QQXJMLBMTSSFPT-AWEZNQCLSA-N 2 1 288.439 2.090 20 30 CEEDMP CC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCc3ccc(C#N)cc32)C1 ZINC000353429895 220077585 /nfs/dbraw/zinc/07/75/85/220077585.db2.gz VDIMEIAZVUVNKF-YOEHRIQHSA-N 2 1 269.392 2.477 20 30 CEEDMP CC[NH+]1CCC(N2CCC[N@H+]([C@H](C)CCC#N)CC2)CC1 ZINC000420972034 376751072 /nfs/dbraw/zinc/75/10/72/376751072.db2.gz AKSOLWOMAPGWHU-MRXNPFEDSA-N 2 1 292.471 2.171 20 30 CEEDMP C[C@@H]([NH2+]CCOc1ccc(C#N)cc1)c1c[nH+]ccc1N ZINC000422995081 376913638 /nfs/dbraw/zinc/91/36/38/376913638.db2.gz XAGPJHFTZDQHSD-GFCCVEGCSA-N 2 1 282.347 2.095 20 30 CEEDMP CC[NH+]1CCC(NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000329809860 394587575 /nfs/dbraw/zinc/58/75/75/394587575.db2.gz CFYKKIYZGUDUQM-ZDUSSCGKSA-N 2 1 290.411 2.195 20 30 CEEDMP C[NH+]=C(NC[C@H](c1ccco1)[NH+]1CCCC1)NC(C)(C)C ZINC000103895448 394716834 /nfs/dbraw/zinc/71/68/34/394716834.db2.gz SEXPMTUYQGOYQW-CYBMUJFWSA-N 2 1 292.427 2.380 20 30 CEEDMP Cc1[nH+]ccn1CCCNC(=[NH2+])NC1CCCCCC1 ZINC000271293219 394753729 /nfs/dbraw/zinc/75/37/29/394753729.db2.gz UITKGTPVXDVNQQ-UHFFFAOYSA-N 2 1 277.416 2.209 20 30 CEEDMP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1ccc(C#N)cc1F ZINC000423367235 394903584 /nfs/dbraw/zinc/90/35/84/394903584.db2.gz RBWWBORUWFJRNX-DGCLKSJQSA-N 2 1 261.344 2.490 20 30 CEEDMP C=C[C@@H](CO)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000289647488 395082753 /nfs/dbraw/zinc/08/27/53/395082753.db2.gz GBCCAITUKPVGTN-XLAORIBOSA-N 2 1 286.419 2.319 20 30 CEEDMP C=CCOc1ccccc1C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000347006955 395117980 /nfs/dbraw/zinc/11/79/80/395117980.db2.gz CXMSRTITLMFBDO-AWEZNQCLSA-N 2 1 260.381 2.422 20 30 CEEDMP C=CCOc1cccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000346859473 395110420 /nfs/dbraw/zinc/11/04/20/395110420.db2.gz SDVYOSFTACMICH-UAGQMJEPSA-N 2 1 272.392 2.421 20 30 CEEDMP CC[NH+]=C(NCc1ccoc1)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000179200785 395183345 /nfs/dbraw/zinc/18/33/45/395183345.db2.gz AQFAJDABGNOFSU-ZFWWWQNUSA-N 2 1 292.427 2.063 20 30 CEEDMP Cc1[nH+]ccn1CC[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000443975473 395408130 /nfs/dbraw/zinc/40/81/30/395408130.db2.gz AHSUNWISKGIYBU-UHFFFAOYSA-N 2 1 254.337 2.161 20 30 CEEDMP C[N@H+](CCOc1ccccc1C#N)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375787126 157145710 /nfs/dbraw/zinc/14/57/10/157145710.db2.gz GAIUGDKDENPVKP-SJPCQFCGSA-N 2 1 299.418 2.494 20 30 CEEDMP C[N@@H+](CCOc1ccccc1C#N)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375787126 157145713 /nfs/dbraw/zinc/14/57/13/157145713.db2.gz GAIUGDKDENPVKP-SJPCQFCGSA-N 2 1 299.418 2.494 20 30 CEEDMP C[NH+](CCOc1ccccc1C#N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000375787126 157145717 /nfs/dbraw/zinc/14/57/17/157145717.db2.gz GAIUGDKDENPVKP-SJPCQFCGSA-N 2 1 299.418 2.494 20 30 CEEDMP C[NH+](CCOc1ccccc1C#N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000375787126 157145721 /nfs/dbraw/zinc/14/57/21/157145721.db2.gz GAIUGDKDENPVKP-SJPCQFCGSA-N 2 1 299.418 2.494 20 30 CEEDMP C=CCCC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655764428 415443980 /nfs/dbraw/zinc/44/39/80/415443980.db2.gz HLESALGIEFUOOF-OAHLLOKOSA-N 2 1 252.402 2.186 20 30 CEEDMP C=CC[C@@]1(C(=O)NCC[N@@H+]2CCCC[C@H]2CC)CCC[NH2+]1 ZINC000662735371 415948585 /nfs/dbraw/zinc/94/85/85/415948585.db2.gz NBTYQYRKVFEHJF-WBVHZDCISA-N 2 1 293.455 2.065 20 30 CEEDMP C[N@H+]1CCC[C@H]1CNC1CC(C#N)(c2ccccc2)C1 ZINC000126180607 260346063 /nfs/dbraw/zinc/34/60/63/260346063.db2.gz JXNJBWBYZRVMRJ-CGZBRXJRSA-N 2 1 269.392 2.294 20 30 CEEDMP CC[NH+]=C(NCCn1cc[nH+]c1C)N1CCc2ccccc21 ZINC000263239736 262805351 /nfs/dbraw/zinc/80/53/51/262805351.db2.gz KWKCFFSQLZQMNS-UHFFFAOYSA-N 2 1 297.406 2.220 20 30 CEEDMP C[C@H](CCNC(=[NH2+])N(C)C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000273353538 263016074 /nfs/dbraw/zinc/01/60/74/263016074.db2.gz QXOQQDAEOMLBBW-CQSZACIVSA-N 2 1 288.439 2.306 20 30 CEEDMP C[C@H](CNC(=[NH2+])Nc1cc(F)ccc1F)[N@@H+](C)C1CC1 ZINC000288731339 263105747 /nfs/dbraw/zinc/10/57/47/263105747.db2.gz NRZPMBGATIYCPA-SECBINFHSA-N 2 1 282.338 2.174 20 30 CEEDMP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(C#N)cc1 ZINC000181561087 278344590 /nfs/dbraw/zinc/34/45/90/278344590.db2.gz MYHXTUXKJBVBBP-CQSZACIVSA-N 2 1 287.407 2.056 20 30 CEEDMP C=C(CNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC)c1ccccc1 ZINC000287308635 328250665 /nfs/dbraw/zinc/25/06/65/328250665.db2.gz UFMNBDTYDQRMQJ-MRXNPFEDSA-N 2 1 286.423 2.088 20 30 CEEDMP CC[C@H](C)[N@@H+](C)CCNC(=[NH2+])Nc1cc(F)ccc1F ZINC000288752486 328253460 /nfs/dbraw/zinc/25/34/60/328253460.db2.gz RDEBJIXKDXHFND-JTQLQIEISA-N 2 1 284.354 2.422 20 30 CEEDMP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000423093494 330169563 /nfs/dbraw/zinc/16/95/63/330169563.db2.gz HSWQXUBYLIGTGH-JMSVASOKSA-N 2 1 261.369 2.126 20 30 CEEDMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC(C)(C)CC#N ZINC000423168668 330174238 /nfs/dbraw/zinc/17/42/38/330174238.db2.gz HQEDTVBOLZTNRA-HIFRSBDPSA-N 2 1 259.397 2.474 20 30 CEEDMP CC(C)OCC[NH+]1CCC([NH2+][C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000442781311 330782735 /nfs/dbraw/zinc/78/27/35/330782735.db2.gz IKHZLYBADFAFOC-GDBMZVCRSA-N 2 1 279.428 2.158 20 30 CEEDMP CC(C)CNC(=[NH2+])NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000195291033 331166703 /nfs/dbraw/zinc/16/67/03/331166703.db2.gz MZPNEPMIMQKWGV-MRXNPFEDSA-N 2 1 288.439 2.069 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)CCC(F)(F)F ZINC000491070484 332146101 /nfs/dbraw/zinc/14/61/01/332146101.db2.gz CKVXBJCQYDVDPP-LLVKDONJSA-N 2 1 250.308 2.262 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)CCC(F)(F)F ZINC000491070484 332146102 /nfs/dbraw/zinc/14/61/02/332146102.db2.gz CKVXBJCQYDVDPP-LLVKDONJSA-N 2 1 250.308 2.262 20 30 CEEDMP C=CC[NH+]1CCC([NH2+]C[C@H](O)CC2CCCC2)CC1 ZINC000573084148 334906336 /nfs/dbraw/zinc/90/63/36/334906336.db2.gz MVUPNEACQPDJBE-MRXNPFEDSA-N 2 1 266.429 2.168 20 30 CEEDMP C[NH+]1CCC([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CC1 ZINC000267213413 500777140 /nfs/dbraw/zinc/77/71/40/500777140.db2.gz HTDDBKFGJSWLTL-UHFFFAOYSA-N 2 1 298.434 2.211 20 30 CEEDMP C=CCc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cc(OC)c1O ZINC000347044456 527239162 /nfs/dbraw/zinc/23/91/62/527239162.db2.gz NDLRSWUCVASPMS-IUODEOHRSA-N 2 1 290.407 2.298 20 30 CEEDMP C=CCc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cc(OC)c1O ZINC000347044456 527239165 /nfs/dbraw/zinc/23/91/65/527239165.db2.gz NDLRSWUCVASPMS-IUODEOHRSA-N 2 1 290.407 2.298 20 30 CEEDMP C[C@@H]1CCC[C@@H]([NH+]2CCC(=NN3CC[NH+](C)CC3)CC2)C1 ZINC000733743053 574686153 /nfs/dbraw/zinc/68/61/53/574686153.db2.gz DAALWCIIFRAWHW-NVXWUHKLSA-N 2 1 292.471 2.264 20 30 CEEDMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(OC)c(C#N)c2)[C@H](C)C1 ZINC000742207429 574841646 /nfs/dbraw/zinc/84/16/46/574841646.db2.gz XYDYIBXLYPQMJL-CZUORRHYSA-N 2 1 287.407 2.387 20 30 CEEDMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(OC)c(C#N)c2)[C@H](C)C1 ZINC000742207429 574841647 /nfs/dbraw/zinc/84/16/47/574841647.db2.gz XYDYIBXLYPQMJL-CZUORRHYSA-N 2 1 287.407 2.387 20 30 CEEDMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000742206513 575010502 /nfs/dbraw/zinc/01/05/02/575010502.db2.gz HPUKYVLFXDLNET-XJKSGUPXSA-N 2 1 257.381 2.378 20 30 CEEDMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000742206513 575010504 /nfs/dbraw/zinc/01/05/04/575010504.db2.gz HPUKYVLFXDLNET-XJKSGUPXSA-N 2 1 257.381 2.378 20 30 CEEDMP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001022201177 623833154 /nfs/dbraw/zinc/83/31/54/623833154.db2.gz GDJDZSSHYDXGAB-OWCLPIDISA-N 2 1 293.455 2.062 20 30 CEEDMP COCC#CCN1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000677133078 624031613 /nfs/dbraw/zinc/03/16/13/624031613.db2.gz GMDCRZQADSCMST-DLBZAZTESA-N 2 1 278.440 2.223 20 30 CEEDMP C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001022957276 624793019 /nfs/dbraw/zinc/79/30/19/624793019.db2.gz QAMXYNFHFZSVDM-XHSDSOJGSA-N 2 1 293.455 2.064 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)Cc1cccc(F)c1 ZINC000328136005 627859263 /nfs/dbraw/zinc/85/92/63/627859263.db2.gz YFQPJKMITGCGQX-CQSZACIVSA-N 2 1 262.372 2.301 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)Cc1cccc(F)c1 ZINC000328136005 627859266 /nfs/dbraw/zinc/85/92/66/627859266.db2.gz YFQPJKMITGCGQX-CQSZACIVSA-N 2 1 262.372 2.301 20 30 CEEDMP CCc1ccc([C@H](C[NH+]=C(N(C)C)N(C)C)[NH+](C)C)cc1 ZINC000104155507 628450866 /nfs/dbraw/zinc/45/08/66/628450866.db2.gz LLQUAUGOMPVMEW-INIZCTEOSA-N 2 1 290.455 2.331 20 30 CEEDMP CCc1ccc([C@@H](C[NH+]=C(N(C)C)N(C)C)[NH+](C)C)cc1 ZINC000104155506 628451268 /nfs/dbraw/zinc/45/12/68/628451268.db2.gz LLQUAUGOMPVMEW-MRXNPFEDSA-N 2 1 290.455 2.331 20 30 CEEDMP N#CC1CCC(C[N@@H+]2CCc3[nH+]ccc(N)c3C2)CC1 ZINC000931516907 628653507 /nfs/dbraw/zinc/65/35/07/628653507.db2.gz RDAXHECDDPNFOD-UHFFFAOYSA-N 2 1 270.380 2.352 20 30 CEEDMP N#CC1CCC(C[N@H+]2CCc3[nH+]ccc(N)c3C2)CC1 ZINC000931516907 628653513 /nfs/dbraw/zinc/65/35/13/628653513.db2.gz RDAXHECDDPNFOD-UHFFFAOYSA-N 2 1 270.380 2.352 20 30 CEEDMP N#Cc1ccc2c(c1)C[C@@H]([NH2+][C@H]1CC[NH2+]C13CCCC3)C2 ZINC000925729857 628669065 /nfs/dbraw/zinc/66/90/65/628669065.db2.gz STDYEHOXLAJEQP-IRXDYDNUSA-N 2 1 281.403 2.290 20 30 CEEDMP CC[C@]1(C)CCN(C(NC[C@H]2CC[N@H+](C3CC3)C2)=[NH+]C)C1 ZINC000261808781 629249519 /nfs/dbraw/zinc/24/95/19/629249519.db2.gz SFWYVKAZJXEKJH-RHSMWYFYSA-N 2 1 292.471 2.168 20 30 CEEDMP CC[NH+]=C(NC[C@@H]1CC=CCC1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000083167545 632219737 /nfs/dbraw/zinc/21/97/37/632219737.db2.gz OOACBOIYZYPDMO-HUUCEWRRSA-N 2 1 290.455 2.135 20 30 CEEDMP CC[NH+]=C(NC[C@@H]1CC=CCC1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000083167545 632219743 /nfs/dbraw/zinc/21/97/43/632219743.db2.gz OOACBOIYZYPDMO-HUUCEWRRSA-N 2 1 290.455 2.135 20 30 CEEDMP C[N@H+]1CCC[C@@]2(CCN(C[C@H](O)c3ccc(C#N)cc3)C2)C1 ZINC000815146812 632971481 /nfs/dbraw/zinc/97/14/81/632971481.db2.gz UBORSJGSZLCZML-ZWKOTPCHSA-N 2 1 299.418 2.009 20 30 CEEDMP C[NH+]1CCC[C@@]2(CC[N@H+](C[C@H](O)c3ccc(C#N)cc3)C2)C1 ZINC000815146812 632971486 /nfs/dbraw/zinc/97/14/86/632971486.db2.gz UBORSJGSZLCZML-ZWKOTPCHSA-N 2 1 299.418 2.009 20 30 CEEDMP C[NH+]1CCC[C@@]2(CC[N@@H+](C[C@H](O)c3ccc(C#N)cc3)C2)C1 ZINC000815146812 632971487 /nfs/dbraw/zinc/97/14/87/632971487.db2.gz UBORSJGSZLCZML-ZWKOTPCHSA-N 2 1 299.418 2.009 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1C[C@@H](OC)C1(CC)CC ZINC000815652479 633043929 /nfs/dbraw/zinc/04/39/29/633043929.db2.gz FBXJPZYTMDKZMZ-LSDHHAIUSA-N 2 1 266.429 2.125 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1C[C@@H](OC)C1(CC)CC ZINC000815652479 633043935 /nfs/dbraw/zinc/04/39/35/633043935.db2.gz FBXJPZYTMDKZMZ-LSDHHAIUSA-N 2 1 266.429 2.125 20 30 CEEDMP N#Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)nc1 ZINC000817930390 633784668 /nfs/dbraw/zinc/78/46/68/633784668.db2.gz CNHOYFSDUQHWME-GVDBMIGSSA-N 2 1 284.407 2.354 20 30 CEEDMP C#CCOc1ccc([C@H](C)[NH2+][C@@H](C[NH3+])C2CC2)cc1 ZINC000817959755 633801119 /nfs/dbraw/zinc/80/11/19/633801119.db2.gz IGRFGBNTOSOXJA-LRDDRELGSA-N 2 1 258.365 2.087 20 30 CEEDMP C#CCOc1ccc([C@H](C)[NH2+]CC2([NH3+])CCC2)cc1 ZINC000817965685 633808834 /nfs/dbraw/zinc/80/88/34/633808834.db2.gz ZDXFHZAGWXMCAC-ZDUSSCGKSA-N 2 1 258.365 2.231 20 30 CEEDMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@@H](O)c1ccc(C#N)cc1 ZINC000818965934 634020587 /nfs/dbraw/zinc/02/05/87/634020587.db2.gz MNIAZSDWLKMSHN-SUMWQHHRSA-N 2 1 298.390 2.023 20 30 CEEDMP Cc1cc(C#N)cc(C)c1C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000903425281 635112778 /nfs/dbraw/zinc/11/27/78/635112778.db2.gz ZDYFRJDPDTVKBO-CZUORRHYSA-N 2 1 257.381 2.344 20 30 CEEDMP Cc1cc(C#N)cc(C)c1C[N@@H+]1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903861136 635312941 /nfs/dbraw/zinc/31/29/41/635312941.db2.gz VMPICGRJIZJKMA-RDJZCZTQSA-N 2 1 269.392 2.488 20 30 CEEDMP Cc1cc(C#N)cc(C)c1C[N@H+]1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903861136 635312946 /nfs/dbraw/zinc/31/29/46/635312946.db2.gz VMPICGRJIZJKMA-RDJZCZTQSA-N 2 1 269.392 2.488 20 30 CEEDMP C#CCCCCC[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000879001144 651226491 /nfs/dbraw/zinc/22/64/91/651226491.db2.gz QTGFGPYCHWDMII-MRXNPFEDSA-N 2 1 266.429 2.223 20 30 CEEDMP CC(C)[NH+]=C(NC[C@@H]1CC[N@H+](C(C)C)C1)NC(C)(C)C ZINC000912509492 638713901 /nfs/dbraw/zinc/71/39/01/638713901.db2.gz IFIDNOIUEYWESR-AWEZNQCLSA-N 2 1 282.476 2.459 20 30 CEEDMP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)[C@H]1C ZINC000994404730 640831847 /nfs/dbraw/zinc/83/18/47/640831847.db2.gz HCDVRPHBGFIKEI-CVEARBPZSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)[C@H]1C ZINC000994404730 640831852 /nfs/dbraw/zinc/83/18/52/640831852.db2.gz HCDVRPHBGFIKEI-CVEARBPZSA-N 2 1 293.455 2.018 20 30 CEEDMP CN(CCC#N)c1ccc(C[NH2+]C2CC[NH+](C)CC2)cc1 ZINC000072726284 641963626 /nfs/dbraw/zinc/96/36/26/641963626.db2.gz HTALEUKVNVDKLW-UHFFFAOYSA-N 2 1 286.423 2.220 20 30 CEEDMP CC(C)[N@@H+](C)CCCNCc1csc(C#N)c1 ZINC000921522472 642191230 /nfs/dbraw/zinc/19/12/30/642191230.db2.gz QYJJSBJBRFPXCB-UHFFFAOYSA-N 2 1 251.399 2.440 20 30 CEEDMP C=CC[NH+](CC=C)[C@@H](CNC1=[NH+]CCCCN1)C(C)C ZINC000849215488 642285475 /nfs/dbraw/zinc/28/54/75/642285475.db2.gz MGKGKUUIKDBCAN-HNNXBMFYSA-N 2 1 278.444 2.014 20 30 CEEDMP C=CC[NH+](CC=C)[C@H](CNC1=[NH+]CCCCN1)C(C)C ZINC000849215489 642285875 /nfs/dbraw/zinc/28/58/75/642285875.db2.gz MGKGKUUIKDBCAN-OAHLLOKOSA-N 2 1 278.444 2.014 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(OC)cc1C ZINC000922147510 642906157 /nfs/dbraw/zinc/90/61/57/642906157.db2.gz ZUEZKYCTCKRXCW-UHFFFAOYSA-N 2 1 260.381 2.048 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(OC)cc1C ZINC000922147510 642906160 /nfs/dbraw/zinc/90/61/60/642906160.db2.gz ZUEZKYCTCKRXCW-UHFFFAOYSA-N 2 1 260.381 2.048 20 30 CEEDMP C#CCCCCCC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000877635670 650826584 /nfs/dbraw/zinc/82/65/84/650826584.db2.gz AYCUWCNUWPOLAG-KRWDZBQOSA-N 2 1 278.440 2.413 20 30 CEEDMP Cc1cc(C[NH+]2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)ccc1C#N ZINC000877740653 650883895 /nfs/dbraw/zinc/88/38/95/650883895.db2.gz KXXYARNIHZRFRQ-DLBZAZTESA-N 2 1 269.392 2.393 20 30 CEEDMP Cc1cc(C[NH+]2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)ccc1C#N ZINC000877740653 650883899 /nfs/dbraw/zinc/88/38/99/650883899.db2.gz KXXYARNIHZRFRQ-DLBZAZTESA-N 2 1 269.392 2.393 20 30 CEEDMP Cc1cc(C[N@@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)ccc1C#N ZINC000877740653 650883902 /nfs/dbraw/zinc/88/39/02/650883902.db2.gz KXXYARNIHZRFRQ-DLBZAZTESA-N 2 1 269.392 2.393 20 30 CEEDMP Cc1cc(C[N@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)ccc1C#N ZINC000877740653 650883905 /nfs/dbraw/zinc/88/39/05/650883905.db2.gz KXXYARNIHZRFRQ-DLBZAZTESA-N 2 1 269.392 2.393 20 30 CEEDMP CC#CC[NH+]1CC[C@@H](Oc2ccnc(C[N@H+](C)CC)c2)C1 ZINC000856585676 644696047 /nfs/dbraw/zinc/69/60/47/644696047.db2.gz LGRRQTHNQLLCMJ-QGZVFWFLSA-N 2 1 287.407 2.010 20 30 CEEDMP CC#CC[N@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856585676 644696054 /nfs/dbraw/zinc/69/60/54/644696054.db2.gz LGRRQTHNQLLCMJ-QGZVFWFLSA-N 2 1 287.407 2.010 20 30 CEEDMP CC#CC[N@@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856585676 644696061 /nfs/dbraw/zinc/69/60/61/644696061.db2.gz LGRRQTHNQLLCMJ-QGZVFWFLSA-N 2 1 287.407 2.010 20 30 CEEDMP CC[N@H+](CCC#N)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775647815 646976135 /nfs/dbraw/zinc/97/61/35/646976135.db2.gz BAAXPAQMQAIXNC-UHFFFAOYSA-N 2 1 286.423 2.174 20 30 CEEDMP CC[N@@H+](CCC#N)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775647815 646976137 /nfs/dbraw/zinc/97/61/37/646976137.db2.gz BAAXPAQMQAIXNC-UHFFFAOYSA-N 2 1 286.423 2.174 20 30 CEEDMP CC[N@H+]1CC[C@H]([NH2+][C@H]2Cc3ccc(C#N)cc3C2)[C@H](C)C1 ZINC000866616365 647843249 /nfs/dbraw/zinc/84/32/49/647843249.db2.gz XTTUREFFQUXNPA-BVGQSLNGSA-N 2 1 283.419 2.345 20 30 CEEDMP C[C@@H]1C[C@H]([NH2+][C@H]2Cc3ccc(C#N)cc3C2)CC[N@@H+]1C ZINC000866617909 647844309 /nfs/dbraw/zinc/84/43/09/647844309.db2.gz REBAKZDHMTWLHE-JLZZUVOBSA-N 2 1 269.392 2.098 20 30 CEEDMP C[C@@H]1C[C@H]([NH2+][C@H]2Cc3ccc(C#N)cc3C2)CC[N@H+]1C ZINC000866617909 647844311 /nfs/dbraw/zinc/84/43/11/647844311.db2.gz REBAKZDHMTWLHE-JLZZUVOBSA-N 2 1 269.392 2.098 20 30 CEEDMP C[N@H+](CCc1cccc(C#N)c1)CC[C@@H]1CC[NH2+]C1 ZINC000866698487 647873201 /nfs/dbraw/zinc/87/32/01/647873201.db2.gz WGEPCMAOJBKHFR-HNNXBMFYSA-N 2 1 257.381 2.032 20 30 CEEDMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]C1CCN(c2ccccc2C#N)CC1 ZINC000873239413 649605624 /nfs/dbraw/zinc/60/56/24/649605624.db2.gz VOQIOAZSHMQSNM-WMLDXEAASA-N 2 1 298.434 2.115 20 30 CEEDMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]C1CCN(c2ccccc2C#N)CC1 ZINC000873239414 649605687 /nfs/dbraw/zinc/60/56/87/649605687.db2.gz VOQIOAZSHMQSNM-YOEHRIQHSA-N 2 1 298.434 2.115 20 30 CEEDMP C=C(C)C[NH2+][C@H](C)[C@@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001271665443 806016720 /nfs/dbraw/zinc/01/67/20/806016720.db2.gz LCAFOKKRQAYMAA-HZPDHXFCSA-N 2 1 295.471 2.121 20 30 CEEDMP C=CC[NH2+][C@H](CNC(=O)[C@H]1CCC[N@H+](CCC)C1)C(C)C ZINC001271886660 806127849 /nfs/dbraw/zinc/12/78/49/806127849.db2.gz VBIJCLMMYUNUNZ-JKSUJKDBSA-N 2 1 295.471 2.025 20 30 CEEDMP C=CC[NH+]1CC[C@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)[C@H]1C ZINC001088621690 806570401 /nfs/dbraw/zinc/57/04/01/806570401.db2.gz OOXCRPPXONTQCX-PMPSAXMXSA-N 2 1 293.455 2.014 20 30 CEEDMP C=CC[N@H+]1CC[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)[C@H]1C ZINC001088621690 806570405 /nfs/dbraw/zinc/57/04/05/806570405.db2.gz OOXCRPPXONTQCX-PMPSAXMXSA-N 2 1 293.455 2.014 20 30 CEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)[C@H]1C ZINC001088621690 806570413 /nfs/dbraw/zinc/57/04/13/806570413.db2.gz OOXCRPPXONTQCX-PMPSAXMXSA-N 2 1 293.455 2.014 20 30 CEEDMP C=C(C)CC[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001266813533 802917367 /nfs/dbraw/zinc/91/73/67/802917367.db2.gz VDIHMAQNKGDGIL-MRXNPFEDSA-N 2 1 295.471 2.123 20 30 CEEDMP C=CCC[NH+]1C[C@H](NC(=O)CC[N@H+](C)CCC)CC[C@H]1C ZINC001132437717 812851978 /nfs/dbraw/zinc/85/19/78/812851978.db2.gz XPCLWBKNRNJDKK-HZPDHXFCSA-N 2 1 295.471 2.264 20 30 CEEDMP C=CCC[N@@H+]1C[C@H](NC(=O)CC[NH+](C)CCC)CC[C@H]1C ZINC001132437717 812851992 /nfs/dbraw/zinc/85/19/92/812851992.db2.gz XPCLWBKNRNJDKK-HZPDHXFCSA-N 2 1 295.471 2.264 20 30 CEEDMP C=CCC[N@H+]1C[C@H](NC(=O)CC[NH+](C)CCC)CC[C@H]1C ZINC001132437717 812852000 /nfs/dbraw/zinc/85/20/00/812852000.db2.gz XPCLWBKNRNJDKK-HZPDHXFCSA-N 2 1 295.471 2.264 20 30 CEEDMP C=C(C)C[NH2+]CC1(CCNC(=O)CC[N@H+](C)CCC)CC1 ZINC001167811944 804356689 /nfs/dbraw/zinc/35/66/89/804356689.db2.gz CZMWZWVZAVBRBB-UHFFFAOYSA-N 2 1 295.471 2.171 20 30 CEEDMP C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2CCCC1(C#N)CCOCC1 ZINC000931721524 804380262 /nfs/dbraw/zinc/38/02/62/804380262.db2.gz QKWMBEIPSLSEBD-JKSUJKDBSA-N 2 1 291.439 2.255 20 30 CEEDMP C[N@H+]1CC[C@@H]2CC[C@H](C1)N2CCCC1(C#N)CCOCC1 ZINC000931721524 804380275 /nfs/dbraw/zinc/38/02/75/804380275.db2.gz QKWMBEIPSLSEBD-JKSUJKDBSA-N 2 1 291.439 2.255 20 30 CEEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)[C@H]1C ZINC001089061130 807325866 /nfs/dbraw/zinc/32/58/66/807325866.db2.gz ZBFXCFYWJQTRHZ-PMPSAXMXSA-N 2 1 293.455 2.016 20 30 CEEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)[C@H]1C ZINC001089061130 807325875 /nfs/dbraw/zinc/32/58/75/807325875.db2.gz ZBFXCFYWJQTRHZ-PMPSAXMXSA-N 2 1 293.455 2.016 20 30 CEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)[C@H]1C ZINC001089061130 807325884 /nfs/dbraw/zinc/32/58/84/807325884.db2.gz ZBFXCFYWJQTRHZ-PMPSAXMXSA-N 2 1 293.455 2.016 20 30 CEEDMP C=C(C)CC[NH2+]CCNC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001127674050 808185017 /nfs/dbraw/zinc/18/50/17/808185017.db2.gz DTPBZJPIURNYLS-AWEZNQCLSA-N 2 1 292.427 2.069 20 30 CEEDMP C=C(C)C[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000996463405 808404224 /nfs/dbraw/zinc/40/42/24/808404224.db2.gz GBYZDCYIPWLVRL-INIZCTEOSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CC[NH+]1CCN([C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC001171758489 815225430 /nfs/dbraw/zinc/22/54/30/815225430.db2.gz XJBJAUSAIUNNBL-MJGOQNOKSA-N 2 1 299.462 2.453 20 30 CEEDMP C=CC[NH+]1CCN([C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC001171758489 815225435 /nfs/dbraw/zinc/22/54/35/815225435.db2.gz XJBJAUSAIUNNBL-MJGOQNOKSA-N 2 1 299.462 2.453 20 30 CEEDMP C=CC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001034205770 809548591 /nfs/dbraw/zinc/54/85/91/809548591.db2.gz YGWFLNXZZULTNA-CVEARBPZSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001034205770 809548597 /nfs/dbraw/zinc/54/85/97/809548597.db2.gz YGWFLNXZZULTNA-CVEARBPZSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001034205770 809548603 /nfs/dbraw/zinc/54/86/03/809548603.db2.gz YGWFLNXZZULTNA-CVEARBPZSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CC[NH+]1CCCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001034205773 809548664 /nfs/dbraw/zinc/54/86/64/809548664.db2.gz YGWFLNXZZULTNA-JKSUJKDBSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001034205773 809548668 /nfs/dbraw/zinc/54/86/68/809548668.db2.gz YGWFLNXZZULTNA-JKSUJKDBSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001034205773 809548670 /nfs/dbraw/zinc/54/86/70/809548670.db2.gz YGWFLNXZZULTNA-JKSUJKDBSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001034205772 809549268 /nfs/dbraw/zinc/54/92/68/809549268.db2.gz YGWFLNXZZULTNA-HZPDHXFCSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001034205772 809549270 /nfs/dbraw/zinc/54/92/70/809549270.db2.gz YGWFLNXZZULTNA-HZPDHXFCSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001034205772 809549276 /nfs/dbraw/zinc/54/92/76/809549276.db2.gz YGWFLNXZZULTNA-HZPDHXFCSA-N 2 1 293.455 2.016 20 30 CEEDMP CCCCCCC[NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001130303782 812554544 /nfs/dbraw/zinc/55/45/44/812554544.db2.gz JRNBZXNMYSYKBY-HNNXBMFYSA-N 2 1 283.460 2.147 20 30 CEEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)CC[C@H]1C ZINC001132269548 812814947 /nfs/dbraw/zinc/81/49/47/812814947.db2.gz LVIFPZLFXWGYNQ-CVEARBPZSA-N 2 1 295.471 2.264 20 30 CEEDMP C=CCC[N@@H+]1C[C@H](NC(=O)CCCC[NH+](C)C)CC[C@H]1C ZINC001132434093 812849965 /nfs/dbraw/zinc/84/99/65/812849965.db2.gz TYFPXPUXTMEYTR-HZPDHXFCSA-N 2 1 295.471 2.264 20 30 CEEDMP C=CC[N@@H+]1C[C@H](NC(=O)CCC[NH+]2CCCC2)CC[C@@H]1C ZINC001132508034 812873059 /nfs/dbraw/zinc/87/30/59/812873059.db2.gz BPKFLUHAGVGVPY-JKSUJKDBSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C(C)(C)[N@H+](C)CC ZINC001134772903 813323661 /nfs/dbraw/zinc/32/36/61/813323661.db2.gz IYWFVKNPIPLTLY-UONOGXRCSA-N 2 1 283.460 2.166 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000394247757 813368107 /nfs/dbraw/zinc/36/81/07/813368107.db2.gz YRRXQWLSYLCSFD-CYBMUJFWSA-N 2 1 276.380 2.007 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000394247757 813368112 /nfs/dbraw/zinc/36/81/12/813368112.db2.gz YRRXQWLSYLCSFD-CYBMUJFWSA-N 2 1 276.380 2.007 20 30 CEEDMP C=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC001135678165 813499410 /nfs/dbraw/zinc/49/94/10/813499410.db2.gz CLMGSOCZQMANKP-KBPBESRZSA-N 2 1 292.427 2.031 20 30 CEEDMP C=CCCC[NH2+]CCCNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001159839008 813678398 /nfs/dbraw/zinc/67/83/98/813678398.db2.gz RQVBBJUCWWJYCC-INIZCTEOSA-N 2 1 295.471 2.026 20 30 CEEDMP CC[N@H+]1CC[C@@H](n2cc(CC[NH3+])c3cc(C#N)ccc32)C1 ZINC001173360673 815700830 /nfs/dbraw/zinc/70/08/30/815700830.db2.gz QSMXMSCYWJGBAX-OAHLLOKOSA-N 2 1 282.391 2.281 20 30 CEEDMP N#CCc1ccccc1C[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206198649 815711272 /nfs/dbraw/zinc/71/12/72/815711272.db2.gz NDCQDXHFWQZPJB-LSDHHAIUSA-N 2 1 261.344 2.014 20 30 CEEDMP C[NH+](C)CCCO[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001206297784 816540834 /nfs/dbraw/zinc/54/08/34/816540834.db2.gz YPCABUYSUURRAB-QGZVFWFLSA-N 2 1 287.407 2.101 20 30 CEEDMP C=CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)[C@H]1C ZINC001178688416 816781639 /nfs/dbraw/zinc/78/16/39/816781639.db2.gz CCDQWYMHAQLFNG-JYJNAYRXSA-N 2 1 293.455 2.014 20 30 CEEDMP C=CCC[C@H](C)[NH2+]CCCNC(=O)C(C)(C)[N@H+](C)CC ZINC001161226574 816815828 /nfs/dbraw/zinc/81/58/28/816815828.db2.gz JLPYVACQAWZLOI-AWEZNQCLSA-N 2 1 283.460 2.167 20 30 CEEDMP CC#CC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000336524746 365595256 /nfs/dbraw/zinc/59/52/56/365595256.db2.gz ITQDBYWICVSVTM-UHFFFAOYSA-N 2 1 257.381 2.422 20 30 CEEDMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@@H](C)CC1(C#N)CCOCC1 ZINC000602534330 347069440 /nfs/dbraw/zinc/06/94/40/347069440.db2.gz SPXWWIXNHPAHGK-LSDHHAIUSA-N 2 1 281.444 2.405 20 30 CEEDMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@@H](C)CC1(C#N)CCOCC1 ZINC000602534330 347069443 /nfs/dbraw/zinc/06/94/43/347069443.db2.gz SPXWWIXNHPAHGK-LSDHHAIUSA-N 2 1 281.444 2.405 20 30 CEEDMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)CC2(C#N)CCOCC2)C1 ZINC000602525054 347066266 /nfs/dbraw/zinc/06/62/66/347066266.db2.gz QCEPFMNLCPQKJN-HZPDHXFCSA-N 2 1 293.455 2.407 20 30 CEEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000602561520 347078591 /nfs/dbraw/zinc/07/85/91/347078591.db2.gz RZUYJKNMXLUYTJ-ILXRZTDVSA-N 2 1 279.428 2.158 20 30 CEEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000602561520 347078594 /nfs/dbraw/zinc/07/85/94/347078594.db2.gz RZUYJKNMXLUYTJ-ILXRZTDVSA-N 2 1 279.428 2.158 20 30 CEEDMP Cc1cc(C#N)ccc1C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000592185544 345335358 /nfs/dbraw/zinc/33/53/58/345335358.db2.gz XTSJLSHGBZONQE-UHFFFAOYSA-N 2 1 299.418 2.163 20 30 CEEDMP N#CCCCC[C@H]([NH3+])c1nc(-c2ccc(C[NH3+])cc2)no1 ZINC000593943872 345554580 /nfs/dbraw/zinc/55/45/80/345554580.db2.gz QJSIZZKWABDGEC-ZDUSSCGKSA-N 2 1 285.351 2.279 20 30 CEEDMP C=CCSCC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000594503328 345639766 /nfs/dbraw/zinc/63/97/66/345639766.db2.gz VNPDRTXYVLVFSL-OAHLLOKOSA-N 2 1 284.469 2.139 20 30 CEEDMP C[C@@H]1CCC[N@@H+](Cc2ccncc2C#N)[C@@H]1CCC[NH3+] ZINC000595908188 345911527 /nfs/dbraw/zinc/91/15/27/345911527.db2.gz GBKQLDSMDCMZNM-CZUORRHYSA-N 2 1 272.396 2.293 20 30 CEEDMP N#CC1(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)CCCCC1 ZINC000596651326 346072102 /nfs/dbraw/zinc/07/21/02/346072102.db2.gz MTLFDDSVAAPAHF-HRCADAONSA-N 2 1 291.439 2.207 20 30 CEEDMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@@H](C)CC2(C#N)CCOCC2)C1 ZINC000602654469 347125887 /nfs/dbraw/zinc/12/58/87/347125887.db2.gz BVONIFKKQIWWBC-HOTGVXAUSA-N 2 1 293.455 2.405 20 30 CEEDMP CCCNC(=[NH2+])NC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000136873099 366528513 /nfs/dbraw/zinc/52/85/13/366528513.db2.gz HUZXEHRHQGUGAF-HOCLYGCPSA-N 2 1 288.439 2.211 20 30 CEEDMP C[NH+](C)CC(C)(C)C[NH2+]Cc1cc(C#N)cs1 ZINC000093492021 364192311 /nfs/dbraw/zinc/19/23/11/364192311.db2.gz TUPLFIJHARTTKZ-UHFFFAOYSA-N 2 1 251.399 2.297 20 30 CEEDMP N#Cc1ccc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000334979876 364304322 /nfs/dbraw/zinc/30/43/22/364304322.db2.gz JWGSVCMYBPILRS-IRXDYDNUSA-N 2 1 269.392 2.380 20 30 CEEDMP N#Cc1ccc(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])cc1F ZINC000335024224 364367090 /nfs/dbraw/zinc/36/70/90/364367090.db2.gz AUXIVEOEWMJYLA-LSDHHAIUSA-N 2 1 261.344 2.447 20 30 CEEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC000357593887 370822795 /nfs/dbraw/zinc/82/27/95/370822795.db2.gz XNIBBVNKVHGPFQ-INIZCTEOSA-N 2 1 293.455 2.018 20 30 CEEDMP C#CCCOc1ccc(C[NH2+]C2CC[NH+](C)CC2)cc1 ZINC000173359569 367902647 /nfs/dbraw/zinc/90/26/47/367902647.db2.gz QBWHIEJCHMYQCO-UHFFFAOYSA-N 2 1 272.392 2.273 20 30 CEEDMP C=CCOc1cccc(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000346669871 368761788 /nfs/dbraw/zinc/76/17/88/368761788.db2.gz JDXYXKXOWJYVOG-UKRRQHHQSA-N 2 1 260.381 2.421 20 30 CEEDMP C=CCOc1cccc(C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)c1 ZINC000346690734 368773253 /nfs/dbraw/zinc/77/32/53/368773253.db2.gz UQUBAHPXYQPMSJ-ZFWWWQNUSA-N 2 1 260.381 2.421 20 30 CEEDMP C=CCC[C@H](O)C[NH+](C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000351412174 369634857 /nfs/dbraw/zinc/63/48/57/369634857.db2.gz LPOCJMUKIDBRFS-ZNMIVQPWSA-N 2 1 254.418 2.118 20 30 CEEDMP C=CCC[C@H](O)C[N@@H+](C)[C@@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000351412174 369634860 /nfs/dbraw/zinc/63/48/60/369634860.db2.gz LPOCJMUKIDBRFS-ZNMIVQPWSA-N 2 1 254.418 2.118 20 30 CEEDMP C=CCC[C@H](O)C[N@H+](C)[C@@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000351412174 369634862 /nfs/dbraw/zinc/63/48/62/369634862.db2.gz LPOCJMUKIDBRFS-ZNMIVQPWSA-N 2 1 254.418 2.118 20 30 CEEDMP C=C(C)C[NH+]1CCC(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000192839446 369860267 /nfs/dbraw/zinc/86/02/67/369860267.db2.gz NQXIIIPYCQXNMN-ALOPSCKCSA-N 2 1 277.456 2.242 20 30 CEEDMP C=C(C)CN1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000192839446 369860274 /nfs/dbraw/zinc/86/02/74/369860274.db2.gz NQXIIIPYCQXNMN-ALOPSCKCSA-N 3 1 277.456 2.242 20 30 CEEDMP C=C(C)CN1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000192839446 369860282 /nfs/dbraw/zinc/86/02/82/369860282.db2.gz NQXIIIPYCQXNMN-ALOPSCKCSA-N 3 1 277.456 2.242 20 30 CEEDMP C=CCC[C@H](O)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247490601 371115577 /nfs/dbraw/zinc/11/55/77/371115577.db2.gz ROJBSGSQYHCMLU-CVEARBPZSA-N 2 1 266.429 2.264 20 30 CEEDMP CCNC(NCc1cccc(C[N@@H+](C)CC)c1)=[NH+]CC ZINC000264069998 371960723 /nfs/dbraw/zinc/96/07/23/371960723.db2.gz CVCUIXGEAXIHLF-UHFFFAOYSA-N 2 1 276.428 2.213 20 30 CEEDMP COc1ccc(NC(=[NH2+])NCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000264076267 371962473 /nfs/dbraw/zinc/96/24/73/371962473.db2.gz FRLJDGGNUGSMIF-ZDUSSCGKSA-N 2 1 290.411 2.154 20 30 CEEDMP COc1ccc(NC(=[NH2+])NCCC[N@@H+](C)C(C)C)cc1 ZINC000264096530 371968715 /nfs/dbraw/zinc/96/87/15/371968715.db2.gz MTRKVWQPNFCDIR-UHFFFAOYSA-N 2 1 278.400 2.152 20 30 CEEDMP CC[N@H+]1CC[C@@H](CNC(=[NH2+])Nc2cc(C)cc(C)c2)C1 ZINC000264135340 371977271 /nfs/dbraw/zinc/97/72/71/371977271.db2.gz ZJYHEDYREDGBFT-AWEZNQCLSA-N 2 1 274.412 2.372 20 30 CEEDMP C#CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000269845711 372577390 /nfs/dbraw/zinc/57/73/90/372577390.db2.gz FUGUSYRTSCKTGY-QGZVFWFLSA-N 2 1 256.393 2.464 20 30 CEEDMP C#CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000269845711 372577397 /nfs/dbraw/zinc/57/73/97/372577397.db2.gz FUGUSYRTSCKTGY-QGZVFWFLSA-N 2 1 256.393 2.464 20 30 CEEDMP C#CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000269845711 372577400 /nfs/dbraw/zinc/57/74/00/372577400.db2.gz FUGUSYRTSCKTGY-QGZVFWFLSA-N 2 1 256.393 2.464 20 30 CEEDMP C[NH+](C)[C@@H]1CCC[N@H+](Cc2cccc(C#N)c2)CC1 ZINC000277290613 374466728 /nfs/dbraw/zinc/46/67/28/374466728.db2.gz SUZOSGMTXSNEFG-MRXNPFEDSA-N 2 1 257.381 2.474 20 30 CEEDMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2cccc(C#N)c2)CC1 ZINC000277290613 374466731 /nfs/dbraw/zinc/46/67/31/374466731.db2.gz SUZOSGMTXSNEFG-MRXNPFEDSA-N 2 1 257.381 2.474 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)C(C)(C)n2cncn2)CC1 ZINC000280990018 375348869 /nfs/dbraw/zinc/34/88/69/375348869.db2.gz LSTRLBHLIXJCEC-AWEZNQCLSA-N 2 1 291.443 2.032 20 30 CEEDMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000399020100 375354344 /nfs/dbraw/zinc/35/43/44/375354344.db2.gz DSDPURPWPGVSAR-BBRMVZONSA-N 2 1 257.381 2.182 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+]C1CCN(c2ccccc2)CC1 ZINC000294926763 378029709 /nfs/dbraw/zinc/02/97/09/378029709.db2.gz HFOOMUOUFQFNGQ-UHFFFAOYSA-N 2 1 285.435 2.200 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+]C1CCN(c2ccccc2)CC1 ZINC000294926763 378029713 /nfs/dbraw/zinc/02/97/13/378029713.db2.gz HFOOMUOUFQFNGQ-UHFFFAOYSA-N 2 1 285.435 2.200 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCc2c1ccc(OC)c2F ZINC000295001448 378034672 /nfs/dbraw/zinc/03/46/72/378034672.db2.gz MBAZYIMXRPEEJV-HNNXBMFYSA-N 2 1 290.382 2.366 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCc2c1ccc(OC)c2F ZINC000295001448 378034676 /nfs/dbraw/zinc/03/46/76/378034676.db2.gz MBAZYIMXRPEEJV-HNNXBMFYSA-N 2 1 290.382 2.366 20 30 CEEDMP C[N@H+]1CCN(CC[NH2+]C2CCC(C)(C#N)CC2)CC1(C)C ZINC000449300191 378200420 /nfs/dbraw/zinc/20/04/20/378200420.db2.gz DFAKKWILGRDXGR-UHFFFAOYSA-N 2 1 292.471 2.074 20 30 CEEDMP C=CCC[C@@H](O)C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000305065218 379618127 /nfs/dbraw/zinc/61/81/27/379618127.db2.gz HOZQVSATIRBTMW-LSDHHAIUSA-N 2 1 254.418 2.120 20 30 CEEDMP C=CCC[C@@H](O)C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000305065218 379618134 /nfs/dbraw/zinc/61/81/34/379618134.db2.gz HOZQVSATIRBTMW-LSDHHAIUSA-N 2 1 254.418 2.120 20 30 CEEDMP C=CCC[C@@H](O)C[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000305065218 379618141 /nfs/dbraw/zinc/61/81/41/379618141.db2.gz HOZQVSATIRBTMW-LSDHHAIUSA-N 2 1 254.418 2.120 20 30 CEEDMP C=CC[NH+]1CCC([NH2+]CC2(OC)CCCC2)CC1 ZINC000359731845 394773386 /nfs/dbraw/zinc/77/33/86/394773386.db2.gz BOGCWLLFHUEPSQ-UHFFFAOYSA-N 2 1 252.402 2.186 20 30 CEEDMP N#C[C@@H]1CC[C@H]([N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)C1 ZINC000339005825 394936001 /nfs/dbraw/zinc/93/60/01/394936001.db2.gz BWQFTFQEENCWSS-PMPSAXMXSA-N 2 1 261.413 2.486 20 30 CEEDMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)[C@@H](C)C1 ZINC000339097238 394942755 /nfs/dbraw/zinc/94/27/55/394942755.db2.gz XDSKYPYBZBHPGY-NXOAAHMSSA-N 2 1 293.455 2.405 20 30 CEEDMP C#Cc1ccc(C[NH2+]CCCn2cc[nH+]c2C)cc1 ZINC000289315082 395074748 /nfs/dbraw/zinc/07/47/48/395074748.db2.gz SMWRWIQPQXUXDY-UHFFFAOYSA-N 2 1 253.349 2.353 20 30 CEEDMP C[NH+](C)CC1CC[NH+](Cc2cccc(F)c2C#N)CC1 ZINC000428466597 395150709 /nfs/dbraw/zinc/15/07/09/395150709.db2.gz XGLJLJYKVHPXNH-UHFFFAOYSA-N 2 1 275.371 2.471 20 30 CEEDMP C=CC[C@H]1CC[C@H]([NH2+]CCC[N@H+](C)CCOC)C1 ZINC000651677040 401370250 /nfs/dbraw/zinc/37/02/50/401370250.db2.gz VSMZOOJMPZCNHD-GJZGRUSLSA-N 2 1 254.418 2.289 20 30 CEEDMP C=CC[C@H]1CC[C@H]([NH2+]CC2([NH+](C)C)CCOCC2)C1 ZINC000651715552 401376683 /nfs/dbraw/zinc/37/66/83/401376683.db2.gz QNNGWCVGOOZUBU-GJZGRUSLSA-N 2 1 266.429 2.432 20 30 CEEDMP C=CC[C@@H]1CC[C@@H]([NH2+]CC2([NH+](C)C)CCOCC2)C1 ZINC000651715553 401376720 /nfs/dbraw/zinc/37/67/20/401376720.db2.gz QNNGWCVGOOZUBU-HUUCEWRRSA-N 2 1 266.429 2.432 20 30 CEEDMP C=CC[C@H]1CC[C@@H]([NH2+]CCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC000651794293 401392852 /nfs/dbraw/zinc/39/28/52/401392852.db2.gz PZDUBDUDFZYTCD-JKSUJKDBSA-N 2 1 279.472 2.347 20 30 CEEDMP C=C(C)[C@@H](CO)[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660675402 414929956 /nfs/dbraw/zinc/92/99/56/414929956.db2.gz JQHKLAXQJNAQBR-QGZVFWFLSA-N 2 1 274.408 2.178 20 30 CEEDMP C=CCCCC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655756585 415439056 /nfs/dbraw/zinc/43/90/56/415439056.db2.gz GZOBSVFTKQHYST-OAHLLOKOSA-N 2 1 252.402 2.186 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2C[C@@H](C)O[C@@H]2C)CC1 ZINC000449119622 260230221 /nfs/dbraw/zinc/23/02/21/260230221.db2.gz AIWKIRGLMGQBMF-UMVBOHGHSA-N 2 1 252.402 2.182 20 30 CEEDMP C[NH+]=C(NCc1cccs1)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000158456327 261165010 /nfs/dbraw/zinc/16/50/10/261165010.db2.gz CSAMTBNRYZHZLH-OCCSQVGLSA-N 2 1 294.468 2.142 20 30 CEEDMP Cc1cc(C)cc(NC(=[NH2+])NCC[N@H+]2CC=CCC2)c1 ZINC000279872383 263057914 /nfs/dbraw/zinc/05/79/14/263057914.db2.gz AGVUJTVFWVKKNM-UHFFFAOYSA-N 2 1 272.396 2.292 20 30 CEEDMP Cc1cc(C)cc(NC(=[NH2+])NCC[N@@H+]2CC=CCC2)c1 ZINC000279872383 263057915 /nfs/dbraw/zinc/05/79/15/263057915.db2.gz AGVUJTVFWVKKNM-UHFFFAOYSA-N 2 1 272.396 2.292 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCOC2(C)C)CC1 ZINC000340232673 263098769 /nfs/dbraw/zinc/09/87/69/263098769.db2.gz WFFJLRKVAVXSJP-CQSZACIVSA-N 2 1 252.402 2.184 20 30 CEEDMP C=CCOc1ccc(C[NH2+]C[C@@H]([NH3+])C2CC2)cc1OC ZINC000414884729 263098883 /nfs/dbraw/zinc/09/88/83/263098883.db2.gz BDLFPQNBFCRYDJ-CQSZACIVSA-N 2 1 276.380 2.087 20 30 CEEDMP CC[N@H+]1CC[C@H](CNC(=[NH2+])Nc2cc(F)ccc2F)C1 ZINC000288634280 263105215 /nfs/dbraw/zinc/10/52/15/263105215.db2.gz BMUBRGFNHJHSCZ-SNVBAGLBSA-N 2 1 282.338 2.033 20 30 CEEDMP C=CC[C@H](CO)[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340356276 263118226 /nfs/dbraw/zinc/11/82/26/263118226.db2.gz YEGNHFWVLRTJGJ-GVDBMIGSSA-N 2 1 274.408 2.349 20 30 CEEDMP C=CC[C@H](CO)[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340356276 263118227 /nfs/dbraw/zinc/11/82/27/263118227.db2.gz YEGNHFWVLRTJGJ-GVDBMIGSSA-N 2 1 274.408 2.349 20 30 CEEDMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CCCCC#N ZINC000370644250 267334099 /nfs/dbraw/zinc/33/40/99/267334099.db2.gz FKGIOUKJYLVZFX-OWCLPIDISA-N 2 1 279.428 2.159 20 30 CEEDMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cc(C#N)cs2)C1 ZINC000459729336 267336586 /nfs/dbraw/zinc/33/65/86/267336586.db2.gz JBCSHRWRAWOWGV-LBPRGKRZSA-N 2 1 263.410 2.441 20 30 CEEDMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cccc(C#N)c2)C1 ZINC000459722567 267338288 /nfs/dbraw/zinc/33/82/88/267338288.db2.gz BWECXHDRTIRMDA-CQSZACIVSA-N 2 1 257.381 2.380 20 30 CEEDMP C[C@@H]([NH2+]CCc1cccc(C#N)c1)[C@@H]1CCCC[NH2+]1 ZINC000423097598 270834905 /nfs/dbraw/zinc/83/49/05/270834905.db2.gz JMHSBDWKSMXGGM-CJNGLKHVSA-N 2 1 257.381 2.221 20 30 CEEDMP CCCNC(=[NH2+])NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000264147190 328157695 /nfs/dbraw/zinc/15/76/95/328157695.db2.gz YBZJFSHBWZRHCM-LBPRGKRZSA-N 2 1 280.441 2.199 20 30 CEEDMP C=CCC[C@@H](C)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000415051344 328299059 /nfs/dbraw/zinc/29/90/59/328299059.db2.gz JKFNGSZDHKAIJI-QQFBHYJXSA-N 2 1 265.445 2.147 20 30 CEEDMP Cc1ccc(NC(=[NH2+])N[C@@H]2CCn3cc[nH+]c3C2)cc1C ZINC000262468269 330015185 /nfs/dbraw/zinc/01/51/85/330015185.db2.gz MXQIRHPQEPSLCI-CQSZACIVSA-N 2 1 283.379 2.242 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000491210189 332166826 /nfs/dbraw/zinc/16/68/26/332166826.db2.gz QYGXADCWLBRFKL-BRWVUGGUSA-N 2 1 278.440 2.126 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000491210189 332166828 /nfs/dbraw/zinc/16/68/28/332166828.db2.gz QYGXADCWLBRFKL-BRWVUGGUSA-N 2 1 278.440 2.126 20 30 CEEDMP C=C[C@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000353563687 527591965 /nfs/dbraw/zinc/59/19/65/527591965.db2.gz GBCCAITUKPVGTN-CSNJMZFVSA-N 2 1 286.419 2.319 20 30 CEEDMP C=CC[C@H]1CC[NH+]1CCOCC[N@@H+]1CC[C@@H]1CC=C ZINC000934462561 624510282 /nfs/dbraw/zinc/51/02/82/624510282.db2.gz XVBXVHVOKJFGRX-HOTGVXAUSA-N 2 1 264.413 2.304 20 30 CEEDMP C=CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001008773052 628569247 /nfs/dbraw/zinc/56/92/47/628569247.db2.gz YGMLGAOBFJODIP-JKSUJKDBSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001008773052 628569250 /nfs/dbraw/zinc/56/92/50/628569250.db2.gz YGMLGAOBFJODIP-JKSUJKDBSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001008773052 628569254 /nfs/dbraw/zinc/56/92/54/628569254.db2.gz YGMLGAOBFJODIP-JKSUJKDBSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001008773052 628569259 /nfs/dbraw/zinc/56/92/59/628569259.db2.gz YGMLGAOBFJODIP-JKSUJKDBSA-N 2 1 293.455 2.016 20 30 CEEDMP CC[N@H+]1CC[C@@H](CNC(=[NH2+])N[C@H](C)CCCC(C)C)C1 ZINC000303907626 631093320 /nfs/dbraw/zinc/09/33/20/631093320.db2.gz WZSKRSQQYAQVJX-CABCVRRESA-N 2 1 282.476 2.447 20 30 CEEDMP CC[N@H+]1CC[C@@H](CNC(=[NH2+])N[C@@H](C)CCCC(C)C)C1 ZINC000303907628 631093379 /nfs/dbraw/zinc/09/33/79/631093379.db2.gz WZSKRSQQYAQVJX-GJZGRUSLSA-N 2 1 282.476 2.447 20 30 CEEDMP COc1ccc(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])cc1C#N ZINC000817914895 633774967 /nfs/dbraw/zinc/77/49/67/633774967.db2.gz BPZIOXRMFNXQQA-CABCVRRESA-N 2 1 273.380 2.316 20 30 CEEDMP C=C(C)C[C@@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903218548 635020830 /nfs/dbraw/zinc/02/08/30/635020830.db2.gz DFJOVIXZENCBJI-VMIYWNJYSA-N 2 1 264.413 2.061 20 30 CEEDMP Cc1cc(C#N)cc(C)c1C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000903421401 635123074 /nfs/dbraw/zinc/12/30/74/635123074.db2.gz NVCFPXVNGBAJMJ-AWEZNQCLSA-N 2 1 257.381 2.346 20 30 CEEDMP Cc1cc(C#N)cc(C)c1C[N@@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000903464658 635138350 /nfs/dbraw/zinc/13/83/50/635138350.db2.gz VIAUBOYGNAPWBK-WBVHZDCISA-N 2 1 269.392 2.488 20 30 CEEDMP Cc1cc(C#N)cc(C)c1C[N@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000903464658 635138352 /nfs/dbraw/zinc/13/83/52/635138352.db2.gz VIAUBOYGNAPWBK-WBVHZDCISA-N 2 1 269.392 2.488 20 30 CEEDMP C[C@@H]([NH2+]C[C@H]([NH3+])CC(F)F)c1cccc(C#N)c1 ZINC000903950637 635383823 /nfs/dbraw/zinc/38/38/23/635383823.db2.gz PKZXAUMQXLTKCV-BXKDBHETSA-N 2 1 253.296 2.191 20 30 CEEDMP CCCCCCC[N@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000843377442 640410233 /nfs/dbraw/zinc/41/02/33/640410233.db2.gz WGMBHHLTTOUFOP-HNNXBMFYSA-N 2 1 283.460 2.276 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846169250 641210290 /nfs/dbraw/zinc/21/02/90/641210290.db2.gz GBCUUKKSJCGXIM-ZDUSSCGKSA-N 2 1 276.380 2.007 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846169250 641210294 /nfs/dbraw/zinc/21/02/94/641210294.db2.gz GBCUUKKSJCGXIM-ZDUSSCGKSA-N 2 1 276.380 2.007 20 30 CEEDMP N#Cc1cc(C[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)cs1 ZINC000922025837 642847585 /nfs/dbraw/zinc/84/75/85/642847585.db2.gz OWSRGIMDXNZLBN-NSHDSACASA-N 2 1 272.377 2.168 20 30 CEEDMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2csc(C#N)c2)C1 ZINC000922181499 642940224 /nfs/dbraw/zinc/94/02/24/642940224.db2.gz SGRVDBNTVGLDOU-GFCCVEGCSA-N 2 1 263.410 2.441 20 30 CEEDMP C#Cc1ccc(C[NH+]2CC[C@H]3[C@@H](CC[N@H+]3C)C2)cc1 ZINC000877741727 650885979 /nfs/dbraw/zinc/88/59/79/650885979.db2.gz NIDCLYWMGNLQEZ-IRXDYDNUSA-N 2 1 254.377 2.194 20 30 CEEDMP C#Cc1ccc(C[NH+]2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)cc1 ZINC000877741727 650885980 /nfs/dbraw/zinc/88/59/80/650885980.db2.gz NIDCLYWMGNLQEZ-IRXDYDNUSA-N 2 1 254.377 2.194 20 30 CEEDMP C#Cc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)cc1 ZINC000877741727 650885981 /nfs/dbraw/zinc/88/59/81/650885981.db2.gz NIDCLYWMGNLQEZ-IRXDYDNUSA-N 2 1 254.377 2.194 20 30 CEEDMP C#Cc1ccc(C[N@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)cc1 ZINC000877741727 650885982 /nfs/dbraw/zinc/88/59/82/650885982.db2.gz NIDCLYWMGNLQEZ-IRXDYDNUSA-N 2 1 254.377 2.194 20 30 CEEDMP COc1ccc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc1C#N ZINC000839182274 644181570 /nfs/dbraw/zinc/18/15/70/644181570.db2.gz MEUQEBDWQBYISM-AWEZNQCLSA-N 2 1 287.407 2.388 20 30 CEEDMP C=C(C[NH+](C)C)C(=O)NCC(C)(C)[N@H+]1CCC[C@H](CC)C1 ZINC000764504879 645650413 /nfs/dbraw/zinc/65/04/13/645650413.db2.gz FYJSESVKTGDFDI-HNNXBMFYSA-N 2 1 295.471 2.121 20 30 CEEDMP Cc1ccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1C#N ZINC000863540996 646751128 /nfs/dbraw/zinc/75/11/28/646751128.db2.gz FNFJMBFCIGEFCK-UHFFFAOYSA-N 2 1 269.392 2.442 20 30 CEEDMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cc(C#N)ccc2N(C)C)C1 ZINC000865417265 647284439 /nfs/dbraw/zinc/28/44/39/647284439.db2.gz DWMVDLKTYLACJP-OAHLLOKOSA-N 2 1 286.423 2.056 20 30 CEEDMP C=CCCCCC[C@H](C)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000793552697 648775466 /nfs/dbraw/zinc/77/54/66/648775466.db2.gz KTXKBINYBCEFGQ-LSDHHAIUSA-N 2 1 254.418 2.168 20 30 CEEDMP C=CCCCCC[C@H](C)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000793552697 648775470 /nfs/dbraw/zinc/77/54/70/648775470.db2.gz KTXKBINYBCEFGQ-LSDHHAIUSA-N 2 1 254.418 2.168 20 30 CEEDMP C#CC[C@H](CO)[NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000883123787 652369452 /nfs/dbraw/zinc/36/94/52/652369452.db2.gz KWWDMPTVHSALKY-QGZVFWFLSA-N 2 1 288.435 2.118 20 30 CEEDMP C#CC[C@H](CO)[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000883123787 652369453 /nfs/dbraw/zinc/36/94/53/652369453.db2.gz KWWDMPTVHSALKY-QGZVFWFLSA-N 2 1 288.435 2.118 20 30 CEEDMP C=CCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001271020576 805717902 /nfs/dbraw/zinc/71/79/02/805717902.db2.gz ACFMZGXMEPZUBX-HOTGVXAUSA-N 2 1 295.471 2.119 20 30 CEEDMP C=CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001271261633 805904525 /nfs/dbraw/zinc/90/45/25/805904525.db2.gz OTDXDKYKEAASQB-HZPDHXFCSA-N 2 1 295.471 2.166 20 30 CEEDMP C=C(C)CC[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C)C(C)C ZINC001271861058 806120586 /nfs/dbraw/zinc/12/05/86/806120586.db2.gz LNKPUHZAXUGBTQ-JKSUJKDBSA-N 2 1 295.471 2.167 20 30 CEEDMP C=CCN(CC[N@H+](CCC)CCC[NH+](C)C)C(=O)OCC ZINC001209024677 802453377 /nfs/dbraw/zinc/45/33/77/802453377.db2.gz WAXLOLSSGPDFSY-UHFFFAOYSA-N 2 1 299.459 2.295 20 30 CEEDMP C=CCN(CC[N@@H+](CCC)CCC[NH+](C)C)C(=O)OCC ZINC001209024677 802453381 /nfs/dbraw/zinc/45/33/81/802453381.db2.gz WAXLOLSSGPDFSY-UHFFFAOYSA-N 2 1 299.459 2.295 20 30 CEEDMP C=C(C)CC[N@@H+](CCC)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001266564879 802721472 /nfs/dbraw/zinc/72/14/72/802721472.db2.gz DVKMGWGZUMRTCJ-INIZCTEOSA-N 2 1 295.471 2.265 20 30 CEEDMP C=C(C)CC[NH+](CCC)CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001266564879 802721476 /nfs/dbraw/zinc/72/14/76/802721476.db2.gz DVKMGWGZUMRTCJ-INIZCTEOSA-N 2 1 295.471 2.265 20 30 CEEDMP C=C(C)CC[NH+](CCC)CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001266564879 802721479 /nfs/dbraw/zinc/72/14/79/802721479.db2.gz DVKMGWGZUMRTCJ-INIZCTEOSA-N 2 1 295.471 2.265 20 30 CEEDMP C=CCCCCCC[N@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001222085505 803799278 /nfs/dbraw/zinc/79/92/78/803799278.db2.gz AJFMKNCRCBPCHN-UHFFFAOYSA-N 2 1 265.445 2.150 20 30 CEEDMP C=CC[NH+](C)CCC1CCN(C(=O)C[N@H+](C)CCC)CC1 ZINC001268201540 804537151 /nfs/dbraw/zinc/53/71/51/804537151.db2.gz RBOILVPDHUKSAB-UHFFFAOYSA-N 2 1 295.471 2.075 20 30 CEEDMP C=CC[N@@H+](C)CCC1CCN(C(=O)C[NH+](C)CCC)CC1 ZINC001268201540 804537156 /nfs/dbraw/zinc/53/71/56/804537156.db2.gz RBOILVPDHUKSAB-UHFFFAOYSA-N 2 1 295.471 2.075 20 30 CEEDMP C=CC[N@H+](C)CCC1CCN(C(=O)C[NH+](C)CCC)CC1 ZINC001268201540 804537161 /nfs/dbraw/zinc/53/71/61/804537161.db2.gz RBOILVPDHUKSAB-UHFFFAOYSA-N 2 1 295.471 2.075 20 30 CEEDMP C=CCC[C@H](C)[N@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001269138617 805060960 /nfs/dbraw/zinc/06/09/60/805060960.db2.gz TWVCHYYZYRSVPP-LSDHHAIUSA-N 2 1 293.455 2.016 20 30 CEEDMP C=C(C)C[NH2+]C[C@@H](NC(=O)C[N@H+](C)C(C)C)C1CCCC1 ZINC001270458515 805442116 /nfs/dbraw/zinc/44/21/16/805442116.db2.gz QHEBIAVLHPJLMM-MRXNPFEDSA-N 2 1 295.471 2.167 20 30 CEEDMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1CCCc1cccc(C#N)c1 ZINC001205064656 807195821 /nfs/dbraw/zinc/19/58/21/807195821.db2.gz USPPIZCGAAWZGI-BBRMVZONSA-N 2 1 257.381 2.302 20 30 CEEDMP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1CCCc1cccc(C#N)c1 ZINC001205064656 807195825 /nfs/dbraw/zinc/19/58/25/807195825.db2.gz USPPIZCGAAWZGI-BBRMVZONSA-N 2 1 257.381 2.302 20 30 CEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)[C@H]1C ZINC001088896775 807267699 /nfs/dbraw/zinc/26/76/99/807267699.db2.gz BUENQANXEJOLHI-OAGGEKHMSA-N 2 1 293.455 2.016 20 30 CEEDMP N#Cc1c(F)cc(C[NH+]2CCC(C[NH3+])CC2)cc1F ZINC001205040191 808870549 /nfs/dbraw/zinc/87/05/49/808870549.db2.gz BXOYFKDVANYKAT-UHFFFAOYSA-N 2 1 265.307 2.007 20 30 CEEDMP C=CC[N@@H+]1CCC[C@@H]1c1ccc(-n2cnc(CN)n2)cc1 ZINC001168756831 809671576 /nfs/dbraw/zinc/67/15/76/809671576.db2.gz ULNDXMFIXGMKDM-OAHLLOKOSA-N 2 1 283.379 2.049 20 30 CEEDMP C=CC[N@H+]1CCC[C@@H]1c1ccc(-n2cnc(C[NH3+])n2)cc1 ZINC001168756831 809671577 /nfs/dbraw/zinc/67/15/77/809671577.db2.gz ULNDXMFIXGMKDM-OAHLLOKOSA-N 2 1 283.379 2.049 20 30 CEEDMP C=CC[N@@H+]1CCC[C@@H]1c1ccc(-n2cnc(C[NH3+])n2)cc1 ZINC001168756831 809671579 /nfs/dbraw/zinc/67/15/79/809671579.db2.gz ULNDXMFIXGMKDM-OAHLLOKOSA-N 2 1 283.379 2.049 20 30 CEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001015033105 810255750 /nfs/dbraw/zinc/25/57/50/810255750.db2.gz NPAYSWOEFCAJAS-AWEZNQCLSA-N 2 1 298.390 2.023 20 30 CEEDMP C=C(C)CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001016340736 810425406 /nfs/dbraw/zinc/42/54/06/810425406.db2.gz ZKLLRLRFEYCRHY-CVEARBPZSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001016340736 810425410 /nfs/dbraw/zinc/42/54/10/810425410.db2.gz ZKLLRLRFEYCRHY-CVEARBPZSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001016340736 810425413 /nfs/dbraw/zinc/42/54/13/810425413.db2.gz ZKLLRLRFEYCRHY-CVEARBPZSA-N 2 1 293.455 2.018 20 30 CEEDMP Cc1[nH+]ccn1CC[NH2+][C@H](C)Cc1ccc(C#N)cc1 ZINC001172291138 815381970 /nfs/dbraw/zinc/38/19/70/815381970.db2.gz WLDNFNKMDXFMLE-CYBMUJFWSA-N 2 1 268.364 2.284 20 30 CEEDMP C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001038461366 810843859 /nfs/dbraw/zinc/84/38/59/810843859.db2.gz FGAYPBFENMWQOU-HNNXBMFYSA-N 2 1 298.390 2.105 20 30 CEEDMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCOc1ccc(C#N)cc1)C2 ZINC001169107668 811400851 /nfs/dbraw/zinc/40/08/51/811400851.db2.gz JMOJVMYXCPTSSJ-MUJYYYPQSA-N 2 1 285.391 2.152 20 30 CEEDMP Cc1ccc(C[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)cc1C#N ZINC001206175700 815515542 /nfs/dbraw/zinc/51/55/42/815515542.db2.gz XGBJFYSZGDLXSO-CABCVRRESA-N 2 1 261.344 2.128 20 30 CEEDMP Cc1ccc(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)cc1C#N ZINC001206175700 815515544 /nfs/dbraw/zinc/51/55/44/815515544.db2.gz XGBJFYSZGDLXSO-CABCVRRESA-N 2 1 261.344 2.128 20 30 CEEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CC)CC[C@H]1C ZINC001132410656 812842940 /nfs/dbraw/zinc/84/29/40/812842940.db2.gz MSPIGGKATYGJLL-CVEARBPZSA-N 2 1 295.471 2.264 20 30 CEEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)CC[C@H]1C ZINC001132410656 812842951 /nfs/dbraw/zinc/84/29/51/812842951.db2.gz MSPIGGKATYGJLL-CVEARBPZSA-N 2 1 295.471 2.264 20 30 CEEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)CC[C@H]1C ZINC001132410656 812842960 /nfs/dbraw/zinc/84/29/60/812842960.db2.gz MSPIGGKATYGJLL-CVEARBPZSA-N 2 1 295.471 2.264 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+]Cc1coc2ccccc12 ZINC000392937565 813309244 /nfs/dbraw/zinc/30/92/44/813309244.db2.gz OKPAWYKNWNPTDL-UHFFFAOYSA-N 2 1 256.349 2.478 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1coc2ccccc12 ZINC000392937565 813309249 /nfs/dbraw/zinc/30/92/49/813309249.db2.gz OKPAWYKNWNPTDL-UHFFFAOYSA-N 2 1 256.349 2.478 20 30 CEEDMP C=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001135583636 813469042 /nfs/dbraw/zinc/46/90/42/813469042.db2.gz BTOLXMPXLKTOMS-KBPBESRZSA-N 2 1 292.427 2.065 20 30 CEEDMP C=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC001135678168 813499500 /nfs/dbraw/zinc/49/95/00/813499500.db2.gz CLMGSOCZQMANKP-ZIAGYGMSSA-N 2 1 292.427 2.031 20 30 CEEDMP C#CC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@H+](C)CCCCCC ZINC001135691714 813504858 /nfs/dbraw/zinc/50/48/58/813504858.db2.gz YWPYZSOSNOROAJ-CVEARBPZSA-N 2 1 295.471 2.005 20 30 CEEDMP C=CC[N@@H+]1CCC[C@H]1c1ccc(N[C@]([NH3+])(CC)CO)cc1 ZINC001170866829 813563582 /nfs/dbraw/zinc/56/35/82/813563582.db2.gz ZTMBZLUUAKFLIR-DLBZAZTESA-N 2 1 289.423 2.479 20 30 CEEDMP CCCCCCC[NH2+]CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001147900462 814511847 /nfs/dbraw/zinc/51/18/47/814511847.db2.gz NZPGJCKMWAZNBO-HNNXBMFYSA-N 2 1 283.460 2.004 20 30 CEEDMP CC[N@H+]1CC[C@@H](NC(=[NH2+])c2ccc3ccccc3n2)C1 ZINC001173358562 815699554 /nfs/dbraw/zinc/69/95/54/815699554.db2.gz KITNJUWQJDUUPW-CYBMUJFWSA-N 2 1 268.364 2.034 20 30 CEEDMP C=C(C)CC[NH2+][C@H]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)[C@H]1C ZINC001179534693 816870161 /nfs/dbraw/zinc/87/01/61/816870161.db2.gz RSJXLRLWLDFTMP-JYJNAYRXSA-N 2 1 293.455 2.016 20 30 CEEDMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC000337888436 214302828 /nfs/dbraw/zinc/30/28/28/214302828.db2.gz XQMXLTQBSHCYPN-LBPRGKRZSA-N 2 1 263.410 2.441 20 30 CEEDMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC000337888436 214302830 /nfs/dbraw/zinc/30/28/30/214302830.db2.gz XQMXLTQBSHCYPN-LBPRGKRZSA-N 2 1 263.410 2.441 20 30 CEEDMP CC[NH+](CC)C[C@@H](C)[NH2+][C@H](C)CC1(C#N)CCOCC1 ZINC000602549616 347072787 /nfs/dbraw/zinc/07/27/87/347072787.db2.gz IRHZLKRMJUMDIF-HUUCEWRRSA-N 2 1 281.444 2.405 20 30 CEEDMP C=C(C)C[NH+]1CCC(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000246892352 539462928 /nfs/dbraw/zinc/46/29/28/539462928.db2.gz RHZMTVQGTUDUQU-SJORKVTESA-N 2 1 277.456 2.243 20 30 CEEDMP C=C(C)CN1CCC([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000246892352 539462930 /nfs/dbraw/zinc/46/29/30/539462930.db2.gz RHZMTVQGTUDUQU-SJORKVTESA-N 2 1 277.456 2.243 20 30 CEEDMP C=C(C)CN1CCC([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000246892352 539462936 /nfs/dbraw/zinc/46/29/36/539462936.db2.gz RHZMTVQGTUDUQU-SJORKVTESA-N 2 1 277.456 2.243 20 30 CEEDMP N#Cc1ccc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000594956617 345715983 /nfs/dbraw/zinc/71/59/83/345715983.db2.gz XGCZGDXJTUSLIL-IAGOWNOFSA-N 2 1 269.392 2.317 20 30 CEEDMP C[C@@H]1CC[N@@H+](CCc2ccc(C#N)cc2)C[C@H]1C[NH3+] ZINC000595893517 345908244 /nfs/dbraw/zinc/90/82/44/345908244.db2.gz RXLJFEJPDNJOPO-CZUORRHYSA-N 2 1 257.381 2.017 20 30 CEEDMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)CC(C)(C)C#N)C[C@@H]1C ZINC000598596891 346381044 /nfs/dbraw/zinc/38/10/44/346381044.db2.gz USPJGNDQXYRQTO-SOUVJXGZSA-N 2 1 281.444 2.092 20 30 CEEDMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598716174 346406393 /nfs/dbraw/zinc/40/63/93/346406393.db2.gz ZCUBOCSSUSCRKN-CVEARBPZSA-N 2 1 295.471 2.389 20 30 CEEDMP CC[C@H]1C[N@H+](Cc2ccc(C)c(C#N)c2)CC[C@@H]1[NH3+] ZINC000600712223 346676160 /nfs/dbraw/zinc/67/61/60/346676160.db2.gz UYWRFBJNIUKJGO-HOCLYGCPSA-N 2 1 257.381 2.426 20 30 CEEDMP CC[C@H]1C[N@@H+](Cc2ccc(C)c(C#N)c2)CC[C@@H]1[NH3+] ZINC000600712223 346676162 /nfs/dbraw/zinc/67/61/62/346676162.db2.gz UYWRFBJNIUKJGO-HOCLYGCPSA-N 2 1 257.381 2.426 20 30 CEEDMP N#Cc1ccc(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)nc1 ZINC000602846477 347222953 /nfs/dbraw/zinc/22/29/53/347222953.db2.gz QKPRZQILFANQCE-UHFFFAOYSA-N 2 1 293.374 2.061 20 30 CEEDMP C[N@@H+]1CCC[C@]2(CC[NH+](CCOc3cccc(C#N)c3)C2)C1 ZINC000339430768 215163254 /nfs/dbraw/zinc/16/32/54/215163254.db2.gz MWEJHLIWAWEQGD-SFHVURJKSA-N 2 1 299.418 2.355 20 30 CEEDMP C[N@H+]1CCC[C@]2(CC[NH+](CCOc3cccc(C#N)c3)C2)C1 ZINC000339430768 215163255 /nfs/dbraw/zinc/16/32/55/215163255.db2.gz MWEJHLIWAWEQGD-SFHVURJKSA-N 2 1 299.418 2.355 20 30 CEEDMP C[NH+]1CCC[C@]2(CC[N@H+](CCOc3cccc(C#N)c3)C2)C1 ZINC000339430768 215163257 /nfs/dbraw/zinc/16/32/57/215163257.db2.gz MWEJHLIWAWEQGD-SFHVURJKSA-N 2 1 299.418 2.355 20 30 CEEDMP C[NH+]1CCC[C@]2(CC[N@@H+](CCOc3cccc(C#N)c3)C2)C1 ZINC000339430768 215163259 /nfs/dbraw/zinc/16/32/59/215163259.db2.gz MWEJHLIWAWEQGD-SFHVURJKSA-N 2 1 299.418 2.355 20 30 CEEDMP C[N@@H+]1CC=C(C[NH2+]Cc2ccc(C#N)cc2F)CC1 ZINC000271770270 191316637 /nfs/dbraw/zinc/31/66/37/191316637.db2.gz BNJRWGFDGACWNK-UHFFFAOYSA-N 2 1 259.328 2.049 20 30 CEEDMP COCCC[NH+]1CCC([NH2+]Cc2ccc(C#N)s2)CC1 ZINC000176960956 189017070 /nfs/dbraw/zinc/01/70/70/189017070.db2.gz NSNHQPLZOHYFRL-UHFFFAOYSA-N 2 1 293.436 2.210 20 30 CEEDMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)CC[N@@H+]1C ZINC000334670381 364160110 /nfs/dbraw/zinc/16/01/10/364160110.db2.gz LUEQJDDZVCHPMO-RISCZKNCSA-N 2 1 261.344 2.270 20 30 CEEDMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)CC[N@H+]1C ZINC000334670381 364160114 /nfs/dbraw/zinc/16/01/14/364160114.db2.gz LUEQJDDZVCHPMO-RISCZKNCSA-N 2 1 261.344 2.270 20 30 CEEDMP N#Cc1cccc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000335538867 212236684 /nfs/dbraw/zinc/23/66/84/212236684.db2.gz NXLUNJAARBWFHH-MRXNPFEDSA-N 2 1 255.365 2.134 20 30 CEEDMP N#Cc1cccc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000335538867 212236687 /nfs/dbraw/zinc/23/66/87/212236687.db2.gz NXLUNJAARBWFHH-MRXNPFEDSA-N 2 1 255.365 2.134 20 30 CEEDMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C#N)cc2)C1 ZINC000173920206 367959424 /nfs/dbraw/zinc/95/94/24/367959424.db2.gz ASAYIRYLBLHEQT-MRXNPFEDSA-N 2 1 257.381 2.332 20 30 CEEDMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C#N)cc2)C1 ZINC000173920206 367959430 /nfs/dbraw/zinc/95/94/30/367959430.db2.gz ASAYIRYLBLHEQT-MRXNPFEDSA-N 2 1 257.381 2.332 20 30 CEEDMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC000173920206 367959434 /nfs/dbraw/zinc/95/94/34/367959434.db2.gz ASAYIRYLBLHEQT-MRXNPFEDSA-N 2 1 257.381 2.332 20 30 CEEDMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000173920206 367959441 /nfs/dbraw/zinc/95/94/41/367959441.db2.gz ASAYIRYLBLHEQT-MRXNPFEDSA-N 2 1 257.381 2.332 20 30 CEEDMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(OC)c(C#N)c2)C1 ZINC000174299520 368007874 /nfs/dbraw/zinc/00/78/74/368007874.db2.gz GPLIJLSBCZDXRU-HNNXBMFYSA-N 2 1 287.407 2.388 20 30 CEEDMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(OC)c(C#N)c2)C1 ZINC000174299520 368007879 /nfs/dbraw/zinc/00/78/79/368007879.db2.gz GPLIJLSBCZDXRU-HNNXBMFYSA-N 2 1 287.407 2.388 20 30 CEEDMP CCC[N@H+]1CC[C@H](CNCc2ccc(C#N)s2)C1 ZINC000176954097 368256624 /nfs/dbraw/zinc/25/66/24/368256624.db2.gz NBOCMLTVKBQBKI-GFCCVEGCSA-N 2 1 263.410 2.441 20 30 CEEDMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC000176954097 368256631 /nfs/dbraw/zinc/25/66/31/368256631.db2.gz NBOCMLTVKBQBKI-GFCCVEGCSA-N 2 1 263.410 2.441 20 30 CEEDMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC000176954097 368256637 /nfs/dbraw/zinc/25/66/37/368256637.db2.gz NBOCMLTVKBQBKI-GFCCVEGCSA-N 2 1 263.410 2.441 20 30 CEEDMP C[N@@H+](Cc1ccc(C#N)c(F)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000192038075 369766831 /nfs/dbraw/zinc/76/68/31/369766831.db2.gz SPQSSAAVNZJHJC-CQSZACIVSA-N 2 1 275.371 2.471 20 30 CEEDMP C[N@H+](Cc1ccc(C#N)c(F)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000192038075 369766834 /nfs/dbraw/zinc/76/68/34/369766834.db2.gz SPQSSAAVNZJHJC-CQSZACIVSA-N 2 1 275.371 2.471 20 30 CEEDMP C[NH+](Cc1ccc(C#N)c(F)c1)C[C@@H]1CCC[N@H+](C)C1 ZINC000192038075 369766836 /nfs/dbraw/zinc/76/68/36/369766836.db2.gz SPQSSAAVNZJHJC-CQSZACIVSA-N 2 1 275.371 2.471 20 30 CEEDMP C[NH+](Cc1ccc(C#N)c(F)c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000192038075 369766838 /nfs/dbraw/zinc/76/68/38/369766838.db2.gz SPQSSAAVNZJHJC-CQSZACIVSA-N 2 1 275.371 2.471 20 30 CEEDMP Cc1[nH+]ccn1CC[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000344076581 217039823 /nfs/dbraw/zinc/03/98/23/217039823.db2.gz UNKBXKHHELKBDT-UHFFFAOYSA-N 2 1 298.390 2.212 20 30 CEEDMP Cc1[nH+]ccn1CC[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000344076581 217039825 /nfs/dbraw/zinc/03/98/25/217039825.db2.gz UNKBXKHHELKBDT-UHFFFAOYSA-N 2 1 298.390 2.212 20 30 CEEDMP CC[C@@H](C)NC(=[NH2+])NCCC[N@H+]1CCc2ccccc2C1 ZINC000264090607 371967729 /nfs/dbraw/zinc/96/77/29/371967729.db2.gz KVQYHWCLDKHGRS-CQSZACIVSA-N 2 1 288.439 2.138 20 30 CEEDMP Cc1ccc(NC(=[NH2+])NC[C@@H]2CCC[N@@H+]2C)cc1C ZINC000264131964 371975698 /nfs/dbraw/zinc/97/56/98/371975698.db2.gz YFNAOFOQTXSWOQ-AWEZNQCLSA-N 2 1 260.385 2.124 20 30 CEEDMP CC#CC[C@@H](CO)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000641768645 372709193 /nfs/dbraw/zinc/70/91/93/372709193.db2.gz FDDLXKQTWBEUTP-SFHVURJKSA-N 2 1 286.419 2.015 20 30 CEEDMP CN(Cc1ccc(C#N)o1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000289797764 376504311 /nfs/dbraw/zinc/50/43/11/376504311.db2.gz SIBBNASBLLZOMW-FUNVUKJBSA-N 2 1 259.353 2.208 20 30 CEEDMP C[N@@H+]1CCC[C@@]2(CC[NH+](CCOc3ccc(C#N)cc3)C2)C1 ZINC000292864040 377321100 /nfs/dbraw/zinc/32/11/00/377321100.db2.gz CPDUOBVIHLYQLO-GOSISDBHSA-N 2 1 299.418 2.355 20 30 CEEDMP C[N@H+]1CCC[C@@]2(CC[NH+](CCOc3ccc(C#N)cc3)C2)C1 ZINC000292864040 377321106 /nfs/dbraw/zinc/32/11/06/377321106.db2.gz CPDUOBVIHLYQLO-GOSISDBHSA-N 2 1 299.418 2.355 20 30 CEEDMP C[NH+]1CCC[C@@]2(CC[N@H+](CCOc3ccc(C#N)cc3)C2)C1 ZINC000292864040 377321111 /nfs/dbraw/zinc/32/11/11/377321111.db2.gz CPDUOBVIHLYQLO-GOSISDBHSA-N 2 1 299.418 2.355 20 30 CEEDMP C[NH+]1CCC[C@@]2(CC[N@@H+](CCOc3ccc(C#N)cc3)C2)C1 ZINC000292864040 377321119 /nfs/dbraw/zinc/32/11/19/377321119.db2.gz CPDUOBVIHLYQLO-GOSISDBHSA-N 2 1 299.418 2.355 20 30 CEEDMP C=CCCC[N@H+](Cc1nccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000435690195 377808594 /nfs/dbraw/zinc/80/85/94/377808594.db2.gz BWHYMQDRNIFICA-OAHLLOKOSA-N 2 1 288.439 2.330 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)Cc1ccccc1F ZINC000295043740 378035843 /nfs/dbraw/zinc/03/58/43/378035843.db2.gz PQTRQNNRLXOPLY-AWEZNQCLSA-N 2 1 262.372 2.301 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)Cc1ccccc1F ZINC000295043740 378035849 /nfs/dbraw/zinc/03/58/49/378035849.db2.gz PQTRQNNRLXOPLY-AWEZNQCLSA-N 2 1 262.372 2.301 20 30 CEEDMP C(#CC[N@H+]1CC[C@@H](C2CC2)C1)C[NH+]1CC[C@H](C2CC2)C1 ZINC000556499292 380908320 /nfs/dbraw/zinc/90/83/20/380908320.db2.gz DNIMQLXJKKSFSO-HDICACEKSA-N 2 1 272.436 2.454 20 30 CEEDMP C(#CC[N@@H+]1CC[C@H](C2CC2)C1)C[NH+]1CC[C@@H](C2CC2)C1 ZINC000556499292 380908329 /nfs/dbraw/zinc/90/83/29/380908329.db2.gz DNIMQLXJKKSFSO-HDICACEKSA-N 2 1 272.436 2.454 20 30 CEEDMP C(#CC[N@H+]1CC[C@H](C2CC2)C1)C[NH+]1CC[C@@H](C2CC2)C1 ZINC000556499292 380908336 /nfs/dbraw/zinc/90/83/36/380908336.db2.gz DNIMQLXJKKSFSO-HDICACEKSA-N 2 1 272.436 2.454 20 30 CEEDMP C[C@H](C(=O)N[C@@H]1CCc2nc[nH]c2C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000328916685 394555979 /nfs/dbraw/zinc/55/59/79/394555979.db2.gz APEBJQPDALROOJ-YVECIDJPSA-N 2 1 290.411 2.485 20 30 CEEDMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000421867365 394621506 /nfs/dbraw/zinc/62/15/06/394621506.db2.gz BXLAPPAHSIRHAZ-UHIISALHSA-N 2 1 263.410 2.438 20 30 CEEDMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000421867365 394621509 /nfs/dbraw/zinc/62/15/09/394621509.db2.gz BXLAPPAHSIRHAZ-UHIISALHSA-N 2 1 263.410 2.438 20 30 CEEDMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000421867362 394621907 /nfs/dbraw/zinc/62/19/07/394621907.db2.gz BXLAPPAHSIRHAZ-JTNHKYCSSA-N 2 1 263.410 2.438 20 30 CEEDMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000421867362 394621912 /nfs/dbraw/zinc/62/19/12/394621912.db2.gz BXLAPPAHSIRHAZ-JTNHKYCSSA-N 2 1 263.410 2.438 20 30 CEEDMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(C#N)cc1 ZINC000275057347 394805268 /nfs/dbraw/zinc/80/52/68/394805268.db2.gz XUHQJHQCHQRPRT-CJNGLKHVSA-N 2 1 257.381 2.330 20 30 CEEDMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(C#N)cc1 ZINC000275057347 394805271 /nfs/dbraw/zinc/80/52/71/394805271.db2.gz XUHQJHQCHQRPRT-CJNGLKHVSA-N 2 1 257.381 2.330 20 30 CEEDMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000275057347 394805275 /nfs/dbraw/zinc/80/52/75/394805275.db2.gz XUHQJHQCHQRPRT-CJNGLKHVSA-N 2 1 257.381 2.330 20 30 CEEDMP C#CCCCC[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000362031684 394842822 /nfs/dbraw/zinc/84/28/22/394842822.db2.gz DFEGNIGSOIHIAG-GVDBMIGSSA-N 2 1 278.440 2.269 20 30 CEEDMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]3O[C@H](CC#N)C[C@@H]32)C1 ZINC000362236448 394849966 /nfs/dbraw/zinc/84/99/66/394849966.db2.gz FQWXFVMUZRJOGV-HHARLNAUSA-N 2 1 291.439 2.158 20 30 CEEDMP C[N@H+]1CC[C@]2(CC[NH+](CCCC3(C#N)CCOCC3)C2)C1 ZINC000366498951 394946635 /nfs/dbraw/zinc/94/66/35/394946635.db2.gz VHKRATWYXUMZAV-KRWDZBQOSA-N 2 1 291.439 2.115 20 30 CEEDMP C[NH+]1CC[C@]2(CC[N@H+](CCCC3(C#N)CCOCC3)C2)C1 ZINC000366498951 394946640 /nfs/dbraw/zinc/94/66/40/394946640.db2.gz VHKRATWYXUMZAV-KRWDZBQOSA-N 2 1 291.439 2.115 20 30 CEEDMP C[NH+]1CC[C@]2(CC[N@@H+](CCCC3(C#N)CCOCC3)C2)C1 ZINC000366498951 394946644 /nfs/dbraw/zinc/94/66/44/394946644.db2.gz VHKRATWYXUMZAV-KRWDZBQOSA-N 2 1 291.439 2.115 20 30 CEEDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CCCC(C)(C)C#N ZINC000374421771 395081839 /nfs/dbraw/zinc/08/18/39/395081839.db2.gz PLGOLLANCHKGLF-BZUAXINKSA-N 2 1 293.455 2.500 20 30 CEEDMP C=C[C@H](CO)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000289685792 395083441 /nfs/dbraw/zinc/08/34/41/395083441.db2.gz HYEUSVYXKSKNKG-OIISXLGYSA-N 2 1 274.408 2.176 20 30 CEEDMP C=C[C@H](CO)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000289685792 395083444 /nfs/dbraw/zinc/08/34/44/395083444.db2.gz HYEUSVYXKSKNKG-OIISXLGYSA-N 2 1 274.408 2.176 20 30 CEEDMP C=CCOc1ccc(C[N@@H+]2CC[C@@H](C[NH3+])C2)cc1OC ZINC000347017985 395117842 /nfs/dbraw/zinc/11/78/42/395117842.db2.gz LCCNOSTYSWGCDM-AWEZNQCLSA-N 2 1 276.380 2.041 20 30 CEEDMP C=CCOc1ccc(C[N@H+]2CC[C@@H](C[NH3+])C2)cc1OC ZINC000347017985 395117845 /nfs/dbraw/zinc/11/78/45/395117845.db2.gz LCCNOSTYSWGCDM-AWEZNQCLSA-N 2 1 276.380 2.041 20 30 CEEDMP C#Cc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000290630674 395111046 /nfs/dbraw/zinc/11/10/46/395111046.db2.gz XWZSKQGAWHBFQU-PBHICJAKSA-N 2 1 256.393 2.440 20 30 CEEDMP C#Cc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000290630674 395111051 /nfs/dbraw/zinc/11/10/51/395111051.db2.gz XWZSKQGAWHBFQU-PBHICJAKSA-N 2 1 256.393 2.440 20 30 CEEDMP C#Cc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)cc1 ZINC000290630674 395111056 /nfs/dbraw/zinc/11/10/56/395111056.db2.gz XWZSKQGAWHBFQU-PBHICJAKSA-N 2 1 256.393 2.440 20 30 CEEDMP C#Cc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)cc1 ZINC000290630674 395111060 /nfs/dbraw/zinc/11/10/60/395111060.db2.gz XWZSKQGAWHBFQU-PBHICJAKSA-N 2 1 256.393 2.440 20 30 CEEDMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(C#N)c(OC)c2)C1 ZINC000440619155 395335993 /nfs/dbraw/zinc/33/59/93/395335993.db2.gz WZMZKAYFJPKLKK-HNNXBMFYSA-N 2 1 287.407 2.388 20 30 CEEDMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(C#N)c(OC)c2)C1 ZINC000440619155 395335996 /nfs/dbraw/zinc/33/59/96/395335996.db2.gz WZMZKAYFJPKLKK-HNNXBMFYSA-N 2 1 287.407 2.388 20 30 CEEDMP C[C@@H]1C[N@H+](CCC[NH2+][C@H]2CCC[C@H](C#N)C2)CCCO1 ZINC000446972954 395502803 /nfs/dbraw/zinc/50/28/03/395502803.db2.gz BMOKSZPDVZKPLM-PMPSAXMXSA-N 2 1 279.428 2.159 20 30 CEEDMP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CCC[C@H](C#N)C2)CCCO1 ZINC000446972954 395502804 /nfs/dbraw/zinc/50/28/04/395502804.db2.gz BMOKSZPDVZKPLM-PMPSAXMXSA-N 2 1 279.428 2.159 20 30 CEEDMP C#CCN(C)CCC[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000491741082 395670633 /nfs/dbraw/zinc/67/06/33/395670633.db2.gz VKKXXNURSRWYFV-ZDUSSCGKSA-N 2 1 273.355 2.303 20 30 CEEDMP C=CC[C@H]1CC[C@@H]([NH2+]CC2([NH+](C)C)CCOCC2)C1 ZINC000651715554 401376629 /nfs/dbraw/zinc/37/66/29/401376629.db2.gz QNNGWCVGOOZUBU-LSDHHAIUSA-N 2 1 266.429 2.432 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CO[C@@H](CC)C2)CC1 ZINC000657352205 414876826 /nfs/dbraw/zinc/87/68/26/414876826.db2.gz FPBNZEUUHDLPMP-CABCVRRESA-N 2 1 252.402 2.184 20 30 CEEDMP C=CCCC[C@H](C)[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662154134 415663411 /nfs/dbraw/zinc/66/34/11/415663411.db2.gz WOABWIDMWRYUFO-GOEBONIOSA-N 2 1 266.429 2.262 20 30 CEEDMP C=CC[C@@H]1CCC[N@@H+](Cc2nc(C(C)(C)[NH3+])no2)C1 ZINC000662299273 415763375 /nfs/dbraw/zinc/76/33/75/415763375.db2.gz NBNICVHRROILHS-LLVKDONJSA-N 2 1 264.373 2.052 20 30 CEEDMP C=CC[C@@H]1CCC[N@H+](Cc2nc(C(C)(C)[NH3+])no2)C1 ZINC000662299273 415763379 /nfs/dbraw/zinc/76/33/79/415763379.db2.gz NBNICVHRROILHS-LLVKDONJSA-N 2 1 264.373 2.052 20 30 CEEDMP Cn1cc[nH+]c1CC1CC[NH+]([C@H]2CC[C@H](C#N)C2)CC1 ZINC000334944337 225371919 /nfs/dbraw/zinc/37/19/19/225371919.db2.gz FIKSJNDBJMKXSO-GJZGRUSLSA-N 2 1 272.396 2.367 20 30 CEEDMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CC(C)(C)CCC#N ZINC000374253228 260251843 /nfs/dbraw/zinc/25/18/43/260251843.db2.gz GIVBZVFQMXNPSI-PMPSAXMXSA-N 2 1 293.455 2.500 20 30 CEEDMP C[N@@H+](CCCCC(C)(C)C#N)CCCN1CC[NH+](C)CC1 ZINC000336845494 262398882 /nfs/dbraw/zinc/39/88/82/262398882.db2.gz TWHLAQQTRLOJNT-UHFFFAOYSA-N 2 1 294.487 2.276 20 30 CEEDMP C[NH+]=C(NC[C@H](c1cccs1)[NH+]1CCCC1)NC1CC1 ZINC000262148998 262763748 /nfs/dbraw/zinc/76/37/48/262763748.db2.gz QXTNRBUHBOQROS-CYBMUJFWSA-N 2 1 292.452 2.212 20 30 CEEDMP Cc1[nH+]ccn1CCNC(=[NH2+])Nc1cc(C)cc(C)c1 ZINC000264109282 262873183 /nfs/dbraw/zinc/87/31/83/262873183.db2.gz QGPZTIAGTPKKHB-UHFFFAOYSA-N 2 1 271.368 2.235 20 30 CEEDMP C=C[C@H](CO)[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000353576758 263183454 /nfs/dbraw/zinc/18/34/54/263183454.db2.gz ORCSPHDCZXTAMA-FMKPAKJESA-N 2 1 266.429 2.166 20 30 CEEDMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]CC1(CC#N)CC1 ZINC000366761855 263390326 /nfs/dbraw/zinc/39/03/26/263390326.db2.gz VXQBCXUBQLJULI-BZUAXINKSA-N 2 1 291.439 2.159 20 30 CEEDMP C=CCCCC[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000514581044 266004343 /nfs/dbraw/zinc/00/43/43/266004343.db2.gz KKMLZDUCWDICJW-QGZVFWFLSA-N 2 1 279.472 2.443 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)[C@H]2CCCOC2)CC1 ZINC000356845132 266187815 /nfs/dbraw/zinc/18/78/15/266187815.db2.gz IGGCJZLGQSIFEA-CABCVRRESA-N 2 1 266.429 2.432 20 30 CEEDMP C=CC[N@@H+](CCOCC[NH3+])Cc1ccc(Cl)s1 ZINC000357023770 266233323 /nfs/dbraw/zinc/23/33/23/266233323.db2.gz DPDZGWCWMNBDCM-UHFFFAOYSA-N 2 1 274.817 2.365 20 30 CEEDMP C=CC[N@H+](CCOCC[NH3+])Cc1ccc(Cl)s1 ZINC000357023770 266233326 /nfs/dbraw/zinc/23/33/26/266233326.db2.gz DPDZGWCWMNBDCM-UHFFFAOYSA-N 2 1 274.817 2.365 20 30 CEEDMP C#C[C@H]([NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@@H]1C)C(C)C ZINC000368036381 267139419 /nfs/dbraw/zinc/13/94/19/267139419.db2.gz ISJBPTLVWQZEIZ-VVLHAWIVSA-N 2 1 278.440 2.123 20 30 CEEDMP C#C[C@H]([NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@@H]1C)C(C)C ZINC000368036381 267139420 /nfs/dbraw/zinc/13/94/20/267139420.db2.gz ISJBPTLVWQZEIZ-VVLHAWIVSA-N 2 1 278.440 2.123 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2COC(C)(C)C2)CC1 ZINC000417905152 275417918 /nfs/dbraw/zinc/41/79/18/275417918.db2.gz XMYWIXHZKWSETA-AWEZNQCLSA-N 2 1 252.402 2.184 20 30 CEEDMP C[C@H](C[NH2+]Cc1cnc2ccc(C#N)cn12)C[NH+]1CCCC1 ZINC000123364332 279790975 /nfs/dbraw/zinc/79/09/75/279790975.db2.gz QTMOQHBVLKRYLW-CQSZACIVSA-N 2 1 297.406 2.027 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)CCCOC)CC1 ZINC000177916482 329190517 /nfs/dbraw/zinc/19/05/17/329190517.db2.gz ZFWQPCKOWYRNGQ-AWEZNQCLSA-N 2 1 254.418 2.432 20 30 CEEDMP C[NH+]=C(NC[C@H]1CC[N@@H+](C)C1)N1CCC2(C1)CCCCC2 ZINC000262422194 330009276 /nfs/dbraw/zinc/00/92/76/330009276.db2.gz BKZHTPKKFQJTBC-OAHLLOKOSA-N 2 1 292.471 2.170 20 30 CEEDMP CC(C)(C)NC(=[NH2+])NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000262811242 330033162 /nfs/dbraw/zinc/03/31/62/330033162.db2.gz OFGHUDNDKWYIGZ-CQSZACIVSA-N 2 1 280.460 2.486 20 30 CEEDMP C=C(C)COCC[NH2+][C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000422994016 330163231 /nfs/dbraw/zinc/16/32/31/330163231.db2.gz UNZKANZEPJGVBZ-GDBMZVCRSA-N 2 1 262.397 2.127 20 30 CEEDMP C#CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000491711290 332302743 /nfs/dbraw/zinc/30/27/43/332302743.db2.gz WBIQNJFSGZFVTJ-CQSZACIVSA-N 2 1 262.422 2.443 20 30 CEEDMP C#CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000491711290 332302744 /nfs/dbraw/zinc/30/27/44/332302744.db2.gz WBIQNJFSGZFVTJ-CQSZACIVSA-N 2 1 262.422 2.443 20 30 CEEDMP C#CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000491711290 332302745 /nfs/dbraw/zinc/30/27/45/332302745.db2.gz WBIQNJFSGZFVTJ-CQSZACIVSA-N 2 1 262.422 2.443 20 30 CEEDMP C#CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000491711290 332302746 /nfs/dbraw/zinc/30/27/46/332302746.db2.gz WBIQNJFSGZFVTJ-CQSZACIVSA-N 2 1 262.422 2.443 20 30 CEEDMP C#CC[NH+](CCCCC[N@H+](CC#C)C1CC1)C1CC1 ZINC000491710060 574510974 /nfs/dbraw/zinc/51/09/74/574510974.db2.gz RTUHLAQAXTVHJY-UHFFFAOYSA-N 2 1 258.409 2.352 20 30 CEEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C[C@H]1C ZINC000948040447 613266313 /nfs/dbraw/zinc/26/63/13/613266313.db2.gz QAAIGQJSXDNOLY-HZPDHXFCSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC000968780316 613490513 /nfs/dbraw/zinc/49/05/13/613490513.db2.gz CQALQSXUIJCILV-HZPDHXFCSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC000968780316 613490515 /nfs/dbraw/zinc/49/05/15/613490515.db2.gz CQALQSXUIJCILV-HZPDHXFCSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC000968780316 613490516 /nfs/dbraw/zinc/49/05/16/613490516.db2.gz CQALQSXUIJCILV-HZPDHXFCSA-N 2 1 293.455 2.018 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+]C/C=C/c1ccccc1OC ZINC000820847138 634549978 /nfs/dbraw/zinc/54/99/78/634549978.db2.gz RYQJAGNZIOTETM-JXMROGBWSA-N 2 1 272.392 2.253 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+]C/C=C/c1ccccc1OC ZINC000820847138 634549982 /nfs/dbraw/zinc/54/99/82/634549982.db2.gz RYQJAGNZIOTETM-JXMROGBWSA-N 2 1 272.392 2.253 20 30 CEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC(C)(C)C(C)C ZINC000187849790 628279630 /nfs/dbraw/zinc/27/96/30/628279630.db2.gz QMCIUUXUZRJIGK-CYBMUJFWSA-N 2 1 268.449 2.057 20 30 CEEDMP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]Cc2nc(C#N)cs2)C1 ZINC000902443896 634660951 /nfs/dbraw/zinc/66/09/51/634660951.db2.gz FSMBMJQQXUFBQY-UWVGGRQHSA-N 2 1 264.398 2.010 20 30 CEEDMP CC(C)CCC[C@@H](C)NC(=[NH2+])NC[C@H]1CC[N@@H+](C)C1 ZINC000104172193 628680497 /nfs/dbraw/zinc/68/04/97/628680497.db2.gz WFFXYQSVXVGSEJ-ZIAGYGMSSA-N 2 1 268.449 2.057 20 30 CEEDMP C=CCC[C@@H]([NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1)C1CC1 ZINC000925800140 628846937 /nfs/dbraw/zinc/84/69/37/628846937.db2.gz XIASJOMNKYNIBP-HZPDHXFCSA-N 2 1 278.440 2.480 20 30 CEEDMP C#CC[C@H](CO)[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000895490022 630217654 /nfs/dbraw/zinc/21/76/54/630217654.db2.gz JSXJELOIGXDFDM-LMMKCTJWSA-N 2 1 298.430 2.328 20 30 CEEDMP C#CC[C@H](CO)[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000895490022 630217657 /nfs/dbraw/zinc/21/76/57/630217657.db2.gz JSXJELOIGXDFDM-LMMKCTJWSA-N 2 1 298.430 2.328 20 30 CEEDMP CC[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1cccc(C#N)c1 ZINC000902761841 634815919 /nfs/dbraw/zinc/81/59/19/634815919.db2.gz ASPKEXCVWYYEII-IRXDYDNUSA-N 2 1 287.407 2.056 20 30 CEEDMP C=CCOc1ccccc1C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904421342 635632930 /nfs/dbraw/zinc/63/29/30/635632930.db2.gz YWZVFBGYTCIXPE-GOEBONIOSA-N 2 1 272.392 2.293 20 30 CEEDMP C#Cc1ccc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)cc1 ZINC000809547006 632096950 /nfs/dbraw/zinc/09/69/50/632096950.db2.gz IVKTUOGCJDFBSQ-KRWDZBQOSA-N 2 1 256.393 2.442 20 30 CEEDMP C#Cc1ccc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)cc1 ZINC000809547006 632096954 /nfs/dbraw/zinc/09/69/54/632096954.db2.gz IVKTUOGCJDFBSQ-KRWDZBQOSA-N 2 1 256.393 2.442 20 30 CEEDMP C#Cc1ccc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000809547006 632096957 /nfs/dbraw/zinc/09/69/57/632096957.db2.gz IVKTUOGCJDFBSQ-KRWDZBQOSA-N 2 1 256.393 2.442 20 30 CEEDMP C=C(CC[NH+](C)C)C(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000900378828 633692472 /nfs/dbraw/zinc/69/24/72/633692472.db2.gz BQAAJQZIYJECLF-UHFFFAOYSA-N 2 1 295.471 2.073 20 30 CEEDMP C#CCOc1ccc([C@@H](C)[NH2+]CC2([NH3+])CCC2)cc1 ZINC000817965682 633809152 /nfs/dbraw/zinc/80/91/52/633809152.db2.gz ZDXFHZAGWXMCAC-CYBMUJFWSA-N 2 1 258.365 2.231 20 30 CEEDMP Cc1[nH+]ccn1CCCC[NH2+]C[C@H](O)c1ccc(C#N)cc1 ZINC000819099827 634068800 /nfs/dbraw/zinc/06/88/00/634068800.db2.gz CIBWZFVDNSYIMI-KRWDZBQOSA-N 2 1 298.390 2.167 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000902999327 634930662 /nfs/dbraw/zinc/93/06/62/634930662.db2.gz AYWAEXHDINVGPW-INIZCTEOSA-N 2 1 296.418 2.478 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000902999327 634930668 /nfs/dbraw/zinc/93/06/68/634930668.db2.gz AYWAEXHDINVGPW-INIZCTEOSA-N 2 1 296.418 2.478 20 30 CEEDMP C=CCCCCC[N@H+](C)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903734578 635250201 /nfs/dbraw/zinc/25/02/01/635250201.db2.gz SAKBRTMTGCEWHM-HZPDHXFCSA-N 2 1 266.429 2.433 20 30 CEEDMP N#Cc1ccc([C@@H]2C[N@H+](CCCCCC[NH3+])CCO2)cc1 ZINC000903823888 635292473 /nfs/dbraw/zinc/29/24/73/635292473.db2.gz KLFANGYQPZZXSQ-KRWDZBQOSA-N 2 1 287.407 2.451 20 30 CEEDMP N#Cc1ccc([C@@H]2C[N@@H+](CCCCCC[NH3+])CCO2)cc1 ZINC000903823888 635292477 /nfs/dbraw/zinc/29/24/77/635292477.db2.gz KLFANGYQPZZXSQ-KRWDZBQOSA-N 2 1 287.407 2.451 20 30 CEEDMP C#CC1CC[NH+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000830350476 637045568 /nfs/dbraw/zinc/04/55/68/637045568.db2.gz CPHQQDQXWYEOGQ-UHFFFAOYSA-N 2 1 298.430 2.364 20 30 CEEDMP CC(C)[N@H+]1CC[C@@H](CNC(NC(C)(C)C)=[NH+]CC2CC2)C1 ZINC000912505350 638712312 /nfs/dbraw/zinc/71/23/12/638712312.db2.gz CFKRQLSSCQAOGR-HNNXBMFYSA-N 2 1 294.487 2.460 20 30 CEEDMP COc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1C#N ZINC000090720324 640645112 /nfs/dbraw/zinc/64/51/12/640645112.db2.gz MRWLGXDIOUAIIX-IUODEOHRSA-N 2 1 273.380 2.139 20 30 CEEDMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1C#N ZINC000090720324 640645119 /nfs/dbraw/zinc/64/51/19/640645119.db2.gz MRWLGXDIOUAIIX-IUODEOHRSA-N 2 1 273.380 2.139 20 30 CEEDMP C#CCCCCCC[NH2+]C1(CCO)CC[NH+](C)CC1 ZINC000877361444 650689228 /nfs/dbraw/zinc/68/92/28/650689228.db2.gz UFHOFYGOYSUAOQ-UHFFFAOYSA-N 2 1 266.429 2.007 20 30 CEEDMP C#C[C@H]1CCC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000848924456 642196621 /nfs/dbraw/zinc/19/66/21/642196621.db2.gz SRDIIOWABAOOBB-KRWDZBQOSA-N 2 1 297.446 2.284 20 30 CEEDMP N#Cc1cc(C[NH2+]C[C@@H]2CCn3cc[nH+]c3C2)cs1 ZINC000922063141 642861235 /nfs/dbraw/zinc/86/12/35/642861235.db2.gz DDZQWYHYGZWVHK-LLVKDONJSA-N 2 1 272.377 2.168 20 30 CEEDMP C#CCOCC[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000851741023 643138663 /nfs/dbraw/zinc/13/86/63/643138663.db2.gz DGLPHEVKYRZLCJ-QGZVFWFLSA-N 2 1 278.440 2.080 20 30 CEEDMP C#CCOCC[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000851741023 643138667 /nfs/dbraw/zinc/13/86/67/643138667.db2.gz DGLPHEVKYRZLCJ-QGZVFWFLSA-N 2 1 278.440 2.080 20 30 CEEDMP C#CCOCC[N@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000852014526 643265863 /nfs/dbraw/zinc/26/58/63/643265863.db2.gz DHMOVAXHPZIENO-HNNXBMFYSA-N 2 1 287.407 2.049 20 30 CEEDMP C=CC[N@@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)CC1CCCCC1 ZINC000923312300 643653209 /nfs/dbraw/zinc/65/32/09/643653209.db2.gz DLZBJWIKKORAFY-INIZCTEOSA-N 2 1 278.440 2.433 20 30 CEEDMP C#CCC[NH+]1CC[C@@H](Oc2ccnc(C[N@H+](C)CC)c2)C1 ZINC000856584599 644695246 /nfs/dbraw/zinc/69/52/46/644695246.db2.gz NEUVTTPAJYGNQM-QGZVFWFLSA-N 2 1 287.407 2.010 20 30 CEEDMP C#CCC[N@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856584599 644695254 /nfs/dbraw/zinc/69/52/54/644695254.db2.gz NEUVTTPAJYGNQM-QGZVFWFLSA-N 2 1 287.407 2.010 20 30 CEEDMP C#CCC[N@@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856584599 644695261 /nfs/dbraw/zinc/69/52/61/644695261.db2.gz NEUVTTPAJYGNQM-QGZVFWFLSA-N 2 1 287.407 2.010 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCN(C(C)=O)c2ccccc21 ZINC000857077474 644811878 /nfs/dbraw/zinc/81/18/78/644811878.db2.gz LAXDCYZFKSYRGB-QGZVFWFLSA-N 2 1 299.418 2.029 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCN(C(C)=O)c2ccccc21 ZINC000857077474 644811885 /nfs/dbraw/zinc/81/18/85/644811885.db2.gz LAXDCYZFKSYRGB-QGZVFWFLSA-N 2 1 299.418 2.029 20 30 CEEDMP C[C@H]1C[NH2+]C[C@@H]([NH2+]C2CCN(c3ccccc3C#N)CC2)C1 ZINC000873215884 649593530 /nfs/dbraw/zinc/59/35/30/649593530.db2.gz GFGMPGOFFLALGK-PBHICJAKSA-N 2 1 298.434 2.115 20 30 CEEDMP C=CCC[C@H]([NH2+]C1CC[NH+](CCOC)CC1)[C@H]1CCCO1 ZINC000883178267 652390778 /nfs/dbraw/zinc/39/07/78/652390778.db2.gz SQWSWJAQTPRUAD-DLBZAZTESA-N 2 1 296.455 2.201 20 30 CEEDMP C=CCC[C@H](Cc1ccccc1)[NH2+]C[C@H](O)C[NH+](C)C ZINC000883187490 652393424 /nfs/dbraw/zinc/39/34/24/652393424.db2.gz OVUOMVAXFWBQOG-SJORKVTESA-N 2 1 276.424 2.076 20 30 CEEDMP C=CCC[C@H]([NH2+][C@H]1CCc2[nH]cnc2C1)[C@H]1CCCO1 ZINC000883223419 652405153 /nfs/dbraw/zinc/40/51/53/652405153.db2.gz PAFYOTFMNPAUNP-DUVNUKRYSA-N 2 1 275.396 2.370 20 30 CEEDMP C=CC[NH2+][C@@H]1CCCCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001088327306 806119275 /nfs/dbraw/zinc/11/92/75/806119275.db2.gz KDDIBBZZYHYFMT-OAHLLOKOSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)C[N@@H+](CC)CCNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001266400235 802530278 /nfs/dbraw/zinc/53/02/78/802530278.db2.gz DONNJXUAXZLGTA-MRXNPFEDSA-N 2 1 295.471 2.121 20 30 CEEDMP C=C(C)C[NH+](CC)CCNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001266400235 802530281 /nfs/dbraw/zinc/53/02/81/802530281.db2.gz DONNJXUAXZLGTA-MRXNPFEDSA-N 2 1 295.471 2.121 20 30 CEEDMP C=C(C)C[NH+](CC)CCNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001266400235 802530283 /nfs/dbraw/zinc/53/02/83/802530283.db2.gz DONNJXUAXZLGTA-MRXNPFEDSA-N 2 1 295.471 2.121 20 30 CEEDMP C=C(C)C[NH2+][C@H](C)CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001266948736 803016560 /nfs/dbraw/zinc/01/65/60/803016560.db2.gz KPMVYYLLJTZDFC-CQSZACIVSA-N 2 1 295.471 2.310 20 30 CEEDMP C=CC[N@@H+](CCC)CCNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001267318062 803361959 /nfs/dbraw/zinc/36/19/59/803361959.db2.gz RCOZAZGWSHOQBU-MRXNPFEDSA-N 2 1 295.471 2.264 20 30 CEEDMP C=CC[NH+](CCC)CCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001267318062 803361968 /nfs/dbraw/zinc/36/19/68/803361968.db2.gz RCOZAZGWSHOQBU-MRXNPFEDSA-N 2 1 295.471 2.264 20 30 CEEDMP C=CC[NH+](CCC)CCNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001267318062 803361973 /nfs/dbraw/zinc/36/19/73/803361973.db2.gz RCOZAZGWSHOQBU-MRXNPFEDSA-N 2 1 295.471 2.264 20 30 CEEDMP CCCCCCC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001267754991 803711067 /nfs/dbraw/zinc/71/10/67/803711067.db2.gz WRPBPAGQZFQMNN-MRXNPFEDSA-N 2 1 295.471 2.243 20 30 CEEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C[C@H]1CC ZINC001269182964 805072661 /nfs/dbraw/zinc/07/26/61/805072661.db2.gz RCUOTOFUVPRLBX-HZPDHXFCSA-N 2 1 295.471 2.121 20 30 CEEDMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cc(C#N)co1)C2 ZINC001172108730 815298572 /nfs/dbraw/zinc/29/85/72/815298572.db2.gz DNKGOWSGISMPRM-ZSOGYDGISA-N 2 1 259.353 2.256 20 30 CEEDMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cc(C#N)co1)C2 ZINC001172108730 815298575 /nfs/dbraw/zinc/29/85/75/815298575.db2.gz DNKGOWSGISMPRM-ZSOGYDGISA-N 2 1 259.353 2.256 20 30 CEEDMP C=CC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CCC1 ZINC001273166740 810077583 /nfs/dbraw/zinc/07/75/83/810077583.db2.gz UAVFTLCHVWFIJH-HNNXBMFYSA-N 2 1 293.455 2.064 20 30 CEEDMP C=C(C)C[NH+]1CCC[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001052712364 812450414 /nfs/dbraw/zinc/45/04/14/812450414.db2.gz HLXAJLJQAZVVSE-JKSUJKDBSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC001052712364 812450421 /nfs/dbraw/zinc/45/04/21/812450421.db2.gz HLXAJLJQAZVVSE-JKSUJKDBSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC001052712364 812450424 /nfs/dbraw/zinc/45/04/24/812450424.db2.gz HLXAJLJQAZVVSE-JKSUJKDBSA-N 2 1 293.455 2.018 20 30 CEEDMP CCCCCCC[NH2+]CCNC(=O)C(C)(C)[N@@H+](C)CC ZINC001130427951 812566377 /nfs/dbraw/zinc/56/63/77/812566377.db2.gz WIDICKBKHAUSLY-UHFFFAOYSA-N 2 1 285.476 2.393 20 30 CEEDMP C=CCCC[NH+]1C[C@H](NC(=O)C[N@H+](C)CCC)CC[C@H]1C ZINC001132441437 812856024 /nfs/dbraw/zinc/85/60/24/812856024.db2.gz OWWHZEJZDTWBKG-HZPDHXFCSA-N 2 1 295.471 2.264 20 30 CEEDMP C=CCCC[N@@H+]1C[C@H](NC(=O)C[NH+](C)CCC)CC[C@H]1C ZINC001132441437 812856032 /nfs/dbraw/zinc/85/60/32/812856032.db2.gz OWWHZEJZDTWBKG-HZPDHXFCSA-N 2 1 295.471 2.264 20 30 CEEDMP C=CCCC[N@H+]1C[C@H](NC(=O)C[NH+](C)CCC)CC[C@H]1C ZINC001132441437 812856041 /nfs/dbraw/zinc/85/60/41/812856041.db2.gz OWWHZEJZDTWBKG-HZPDHXFCSA-N 2 1 295.471 2.264 20 30 CEEDMP C=CCC[NH2+][C@H](C)C[C@H](C)NC(=O)C(C)(C)[N@H+](C)CC ZINC001134772902 813322549 /nfs/dbraw/zinc/32/25/49/813322549.db2.gz IYWFVKNPIPLTLY-KGLIPLIRSA-N 2 1 283.460 2.166 20 30 CEEDMP C#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@H+](C)CCCCCC ZINC001135691715 813504929 /nfs/dbraw/zinc/50/49/29/813504929.db2.gz YWPYZSOSNOROAJ-HOTGVXAUSA-N 2 1 295.471 2.005 20 30 CEEDMP C=CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@H+](C)CCC ZINC001099315913 813999290 /nfs/dbraw/zinc/99/92/90/813999290.db2.gz JLCUWCMGVPYIEO-OAHLLOKOSA-N 2 1 295.471 2.121 20 30 CEEDMP C=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+](C)CCC ZINC001099315913 813999294 /nfs/dbraw/zinc/99/92/94/813999294.db2.gz JLCUWCMGVPYIEO-OAHLLOKOSA-N 2 1 295.471 2.121 20 30 CEEDMP CCCCCCC[C@@H](C)[N@H+]1C[C@H]2C[NH2+]C[C@@]2(CO)C1 ZINC001246644772 814242358 /nfs/dbraw/zinc/24/23/58/814242358.db2.gz JBXHAECTNQCQES-OAGGEKHMSA-N 2 1 268.445 2.249 20 30 CEEDMP C=CCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001146331699 814274681 /nfs/dbraw/zinc/27/46/81/814274681.db2.gz CVXNKJNUWVGDFF-UONOGXRCSA-N 2 1 292.427 2.031 20 30 CEEDMP C=C(C)CC[NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC001147360017 814428863 /nfs/dbraw/zinc/42/88/63/814428863.db2.gz ZJQYBKGNKSWXNG-INIZCTEOSA-N 2 1 295.471 2.313 20 30 CEEDMP C=CC[NH2+]C1(CNC(=O)C(C)(C)[N@H+](C)CC)CCCCC1 ZINC001115601850 814726964 /nfs/dbraw/zinc/72/69/64/814726964.db2.gz VMQOWHIZBDWDJK-UHFFFAOYSA-N 2 1 295.471 2.311 20 30 CEEDMP C=CC[NH2+]CCCC[C@H](C)NC(=O)CC[N@H+](C)CCC ZINC001176258851 816382975 /nfs/dbraw/zinc/38/29/75/816382975.db2.gz WKBNANMYMRJJMG-HNNXBMFYSA-N 2 1 283.460 2.169 20 30 CEEDMP N#Cc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000037649376 361917743 /nfs/dbraw/zinc/91/77/43/361917743.db2.gz TWMSXEBVMUOPTP-HNNXBMFYSA-N 2 1 255.365 2.132 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)C2CC[NH+](C)CC2)CC1 ZINC000153052074 539219384 /nfs/dbraw/zinc/21/93/84/539219384.db2.gz MHBKKGFPEJJEBZ-OAHLLOKOSA-N 3 1 279.472 2.347 20 30 CEEDMP C=C(C)CNC(=[NH2+])NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000080836595 344026721 /nfs/dbraw/zinc/02/67/21/344026721.db2.gz IFQWOZJSHWPFQB-MRXNPFEDSA-N 2 1 286.423 2.131 20 30 CEEDMP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000602506699 347060312 /nfs/dbraw/zinc/06/03/12/347060312.db2.gz LEONKTHXLXJZON-AWEZNQCLSA-N 2 1 291.439 2.302 20 30 CEEDMP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H](C[NH3+])C1CC1 ZINC000591577488 345266060 /nfs/dbraw/zinc/26/60/60/345266060.db2.gz IMNMWAQWYIRJNH-JKSUJKDBSA-N 2 1 255.365 2.263 20 30 CEEDMP N#CCc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000594508211 345640265 /nfs/dbraw/zinc/64/02/65/345640265.db2.gz SRIUVZLSABYOAM-SFHVURJKSA-N 2 1 299.418 2.096 20 30 CEEDMP C[C@@H]1C[C@H](C)[N@@H+](CCc2ccc(C#N)cc2)C[C@@H]1C[NH3+] ZINC000595891118 345907815 /nfs/dbraw/zinc/90/78/15/345907815.db2.gz ALTMNOVBUFPBQG-KEYYUXOJSA-N 2 1 271.408 2.406 20 30 CEEDMP N#Cc1cnccc1C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595900604 345909929 /nfs/dbraw/zinc/90/99/29/345909929.db2.gz IAVBKIREWADJEW-HNNXBMFYSA-N 2 1 284.407 2.165 20 30 CEEDMP C[C@]1(C#N)CC[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000595905229 345911033 /nfs/dbraw/zinc/91/10/33/345911033.db2.gz QUZGKNAZCQZBMT-MRXNPFEDSA-N 2 1 255.365 2.068 20 30 CEEDMP C[C@]1(C#N)CC[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000595905229 345911036 /nfs/dbraw/zinc/91/10/36/345911036.db2.gz QUZGKNAZCQZBMT-MRXNPFEDSA-N 2 1 255.365 2.068 20 30 CEEDMP C[C@H]([NH2+]CCc1ccc(C#N)cc1)[C@H]1CCCC[NH2+]1 ZINC000596650971 346072367 /nfs/dbraw/zinc/07/23/67/346072367.db2.gz MQHPMFHASOOXKW-XJKSGUPXSA-N 2 1 257.381 2.221 20 30 CEEDMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)CC(C)(C)C#N)C[C@H]1C ZINC000598596884 346381308 /nfs/dbraw/zinc/38/13/08/346381308.db2.gz USPJGNDQXYRQTO-QLFBSQMISA-N 2 1 281.444 2.092 20 30 CEEDMP N#Cc1ccccc1C[N@@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000598684308 346400432 /nfs/dbraw/zinc/40/04/32/346400432.db2.gz VOVZKVNHTVCVOH-RCCFBDPRSA-N 2 1 299.418 2.419 20 30 CEEDMP CC[C@H]1C[N@H+](Cc2ccc(C)c(C#N)c2)CC[C@H]1[NH3+] ZINC000600712222 346676084 /nfs/dbraw/zinc/67/60/84/346676084.db2.gz UYWRFBJNIUKJGO-GOEBONIOSA-N 2 1 257.381 2.426 20 30 CEEDMP CC[C@H]1C[N@@H+](Cc2ccc(C)c(C#N)c2)CC[C@H]1[NH3+] ZINC000600712222 346676088 /nfs/dbraw/zinc/67/60/88/346676088.db2.gz UYWRFBJNIUKJGO-GOEBONIOSA-N 2 1 257.381 2.426 20 30 CEEDMP C[C@]1(C[N@@H+]2CCc3c(CC#N)cccc3C2)CC[NH2+]C1 ZINC000600774456 346687741 /nfs/dbraw/zinc/68/77/41/346687741.db2.gz QSXXZALGCOUPPX-KRWDZBQOSA-N 2 1 269.392 2.110 20 30 CEEDMP C[C@]1(C[N@H+]2CCc3c(CC#N)cccc3C2)CC[NH2+]C1 ZINC000600774456 346687744 /nfs/dbraw/zinc/68/77/44/346687744.db2.gz QSXXZALGCOUPPX-KRWDZBQOSA-N 2 1 269.392 2.110 20 30 CEEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000602687110 347147483 /nfs/dbraw/zinc/14/74/83/347147483.db2.gz ILARXYQSRAJLLQ-CVEARBPZSA-N 2 1 293.455 2.407 20 30 CEEDMP C[NH+](C)C[C@]1(O)CCC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000602876136 347234680 /nfs/dbraw/zinc/23/46/80/347234680.db2.gz FCLIYRHQGHVZCE-MRXNPFEDSA-N 2 1 281.444 2.095 20 30 CEEDMP CC[N@H+]1CC[C@@H](N(C)Cc2ccnc(C#N)c2)[C@@H](C)C1 ZINC000610994690 347730171 /nfs/dbraw/zinc/73/01/71/347730171.db2.gz IWOZIIGPTAMQEG-XJKSGUPXSA-N 2 1 272.396 2.115 20 30 CEEDMP CC[N@H+]1CC[C@@H](N(C)Cc2ccnc(C#N)c2)C[C@H]1C ZINC000610994668 347730352 /nfs/dbraw/zinc/73/03/52/347730352.db2.gz MDUWZSGJFLTJET-CZUORRHYSA-N 2 1 272.396 2.258 20 30 CEEDMP CC[C@H](CC#N)[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000613044451 347966933 /nfs/dbraw/zinc/96/69/33/347966933.db2.gz KJOZMKZNTPGFLM-OAHLLOKOSA-N 2 1 275.396 2.409 20 30 CEEDMP C=CCN1CCC([NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000623407836 350010928 /nfs/dbraw/zinc/01/09/28/350010928.db2.gz ZAOGTCXTBYLWEC-OAHLLOKOSA-N 3 1 265.445 2.099 20 30 CEEDMP C=CC[NH+]1CCC(N[C@@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000623407836 350010934 /nfs/dbraw/zinc/01/09/34/350010934.db2.gz ZAOGTCXTBYLWEC-OAHLLOKOSA-N 2 1 265.445 2.099 20 30 CEEDMP C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623554158 350049024 /nfs/dbraw/zinc/04/90/24/350049024.db2.gz TXTRTWTWCCAEBD-IHRRRGAJSA-N 2 1 252.402 2.040 20 30 CEEDMP N#CCSCCC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000080629318 363675260 /nfs/dbraw/zinc/67/52/60/363675260.db2.gz GYEAKZCNANLECX-OAHLLOKOSA-N 2 1 281.469 2.441 20 30 CEEDMP N#CCSCCC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000080629313 363675431 /nfs/dbraw/zinc/67/54/31/363675431.db2.gz GYEAKZCNANLECX-HNNXBMFYSA-N 2 1 281.469 2.441 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)CCCCO)CC1 ZINC000679341559 541260186 /nfs/dbraw/zinc/26/01/86/541260186.db2.gz NHZFGHILKJYTHF-AWEZNQCLSA-N 2 1 254.418 2.168 20 30 CEEDMP CC#CCC[N@H+](C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000156646616 366835612 /nfs/dbraw/zinc/83/56/12/366835612.db2.gz IGQXWJCTZNYJOF-UHFFFAOYSA-N 2 1 286.423 2.407 20 30 CEEDMP CC#CCC[N@@H+](C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000156646616 366835617 /nfs/dbraw/zinc/83/56/17/366835617.db2.gz IGQXWJCTZNYJOF-UHFFFAOYSA-N 2 1 286.423 2.407 20 30 CEEDMP CC[N@H+]1CC[C@@H](N(C)Cc2ccc(C#N)cn2)C[C@@H]1C ZINC000584002439 367127613 /nfs/dbraw/zinc/12/76/13/367127613.db2.gz ZYRGBOTXCFUYGE-XJKSGUPXSA-N 2 1 272.396 2.258 20 30 CEEDMP C#CC[NH2+]C1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000184755216 368718996 /nfs/dbraw/zinc/71/89/96/368718996.db2.gz BSLLDFFILZPGRY-FKEKPDDDSA-N 2 1 256.393 2.366 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H]2CCC=CO2)CC1 ZINC000194384015 370033679 /nfs/dbraw/zinc/03/36/79/370033679.db2.gz YPDBQUJDYDSNQW-HNNXBMFYSA-N 2 1 250.386 2.309 20 30 CEEDMP C=CC[NH+]1CCC([NH2+]C[C@@H](OC)[C@@H](C)CC)CC1 ZINC000638524381 370590274 /nfs/dbraw/zinc/59/02/74/370590274.db2.gz NAVAZOVHOWLKLS-DZGCQCFKSA-N 2 1 254.418 2.288 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@](C)(OC)C2CC2)CC1 ZINC000638524463 370590531 /nfs/dbraw/zinc/59/05/31/370590531.db2.gz OKFKLHQGZXUCDJ-MRXNPFEDSA-N 2 1 266.429 2.432 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)C[C@H]2CCCC(=O)N2)CC1 ZINC000638523794 370590680 /nfs/dbraw/zinc/59/06/80/370590680.db2.gz HEPKCJJJFOAYDE-GOEBONIOSA-N 2 1 293.455 2.064 20 30 CEEDMP CN(C)C(=[NH2+])NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000246852779 371021374 /nfs/dbraw/zinc/02/13/74/371021374.db2.gz CEZNZLNMMZYBEC-YPMHNXCESA-N 2 1 280.441 2.007 20 30 CEEDMP CCNC(=[NH2+])NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000264073831 371963343 /nfs/dbraw/zinc/96/33/43/371963343.db2.gz GQSYCCIJNLBCAQ-AWEZNQCLSA-N 2 1 288.439 2.343 20 30 CEEDMP CC[C@@H](C)NC(=[NH2+])NC[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000264117677 371973508 /nfs/dbraw/zinc/97/35/08/371973508.db2.gz TWFOQFIWBBUNAZ-KGLIPLIRSA-N 2 1 288.439 2.136 20 30 CEEDMP CC[C@@H](C)NC(=[NH2+])NC[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000264117677 371973510 /nfs/dbraw/zinc/97/35/10/371973510.db2.gz TWFOQFIWBBUNAZ-KGLIPLIRSA-N 2 1 288.439 2.136 20 30 CEEDMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C#N)c(OC)c2)[C@H](C)C1 ZINC000353627420 220203239 /nfs/dbraw/zinc/20/32/39/220203239.db2.gz WAFCDKHUOXEXPT-CZUORRHYSA-N 2 1 287.407 2.387 20 30 CEEDMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C#N)c(OC)c2)[C@H](C)C1 ZINC000353627420 220203243 /nfs/dbraw/zinc/20/32/43/220203243.db2.gz WAFCDKHUOXEXPT-CZUORRHYSA-N 2 1 287.407 2.387 20 30 CEEDMP C[N@@H+]1CC[C@H]2CCN(CCCOc3ccc(C#N)cc3)[C@H]2C1 ZINC000373141150 374276248 /nfs/dbraw/zinc/27/62/48/374276248.db2.gz QMVIGOFMCAUWLV-WMZOPIPTSA-N 2 1 299.418 2.353 20 30 CEEDMP C[N@H+]1CC[C@H]2CCN(CCCOc3ccc(C#N)cc3)[C@H]2C1 ZINC000373141150 374276256 /nfs/dbraw/zinc/27/62/56/374276256.db2.gz QMVIGOFMCAUWLV-WMZOPIPTSA-N 2 1 299.418 2.353 20 30 CEEDMP COc1cc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)ccc1C#N ZINC000397295193 375340279 /nfs/dbraw/zinc/34/02/79/375340279.db2.gz ZIVLOJUVIAXTSG-XEZPLFJOSA-N 2 1 287.407 2.372 20 30 CEEDMP C=CCCC[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000441270113 377934264 /nfs/dbraw/zinc/93/42/64/377934264.db2.gz NTKQJVTYIAHXNG-SOUVJXGZSA-N 2 1 252.402 2.136 20 30 CEEDMP C=CCCC[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000441270111 377934308 /nfs/dbraw/zinc/93/43/08/377934308.db2.gz NTKQJVTYIAHXNG-RRFJBIMHSA-N 2 1 252.402 2.136 20 30 CEEDMP C#CC[N@@H+](C)CCCN[C@@H](C)c1cnn(C(C)C)c1 ZINC000294535663 377994856 /nfs/dbraw/zinc/99/48/56/377994856.db2.gz AIHNOBLZONCOOP-AWEZNQCLSA-N 2 1 262.401 2.070 20 30 CEEDMP C#CC[N@H+](C)CCCN[C@@H](C)c1cnn(C(C)C)c1 ZINC000294535663 377994863 /nfs/dbraw/zinc/99/48/63/377994863.db2.gz AIHNOBLZONCOOP-AWEZNQCLSA-N 2 1 262.401 2.070 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000295131059 378043796 /nfs/dbraw/zinc/04/37/96/378043796.db2.gz ZVEINSBWLIOLNT-AWEZNQCLSA-N 2 1 260.381 2.306 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000295131059 378043799 /nfs/dbraw/zinc/04/37/99/378043799.db2.gz ZVEINSBWLIOLNT-AWEZNQCLSA-N 2 1 260.381 2.306 20 30 CEEDMP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1)C2 ZINC000329524372 394569541 /nfs/dbraw/zinc/56/95/41/394569541.db2.gz QKGNWMMOHMALBD-KWCYVHTRSA-N 2 1 290.411 2.193 20 30 CEEDMP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1)C2 ZINC000329524372 394569543 /nfs/dbraw/zinc/56/95/43/394569543.db2.gz QKGNWMMOHMALBD-KWCYVHTRSA-N 2 1 290.411 2.193 20 30 CEEDMP Cc1ccc([C@H](C[NH+]=C(N(C)C)N(C)C)[NH+](C)C)cc1 ZINC000262008960 394611127 /nfs/dbraw/zinc/61/11/27/394611127.db2.gz SQANFEWINPOHQH-HNNXBMFYSA-N 2 1 276.428 2.077 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](COC)C(C)C)CC1 ZINC000153023375 394999592 /nfs/dbraw/zinc/99/95/92/394999592.db2.gz BMCQBXZOIFOLOD-OAHLLOKOSA-N 2 1 254.418 2.288 20 30 CEEDMP C=C(C)C[NH+]1CCC(N[C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000152941308 394999916 /nfs/dbraw/zinc/99/99/16/394999916.db2.gz QVZFJJFBOKZKIL-ZBFHGGJFSA-N 3 1 265.445 2.099 20 30 CEEDMP C=CCNC(=[NH2+])NC[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000153556251 395010390 /nfs/dbraw/zinc/01/03/90/395010390.db2.gz HZUBFDREHRWKQM-KRWDZBQOSA-N 2 1 286.423 2.131 20 30 CEEDMP CC[NH+](CC)CCOC1CC[NH+](CC2(C#N)CC2)CC1 ZINC000343318190 395037278 /nfs/dbraw/zinc/03/72/78/395037278.db2.gz XEJFAQWCSCVBHY-UHFFFAOYSA-N 2 1 279.428 2.113 20 30 CEEDMP C=CCOc1ccccc1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000346840965 395109602 /nfs/dbraw/zinc/10/96/02/395109602.db2.gz GXYAFTHUMYGKIB-IMJJTQAJSA-N 2 1 272.392 2.421 20 30 CEEDMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(OCC#N)cc1 ZINC000179149555 395179730 /nfs/dbraw/zinc/17/97/30/395179730.db2.gz WFSXVYZBWBSFMB-JKIFEVAISA-N 2 1 287.407 2.407 20 30 CEEDMP C=C(C)CC[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000351843780 395238398 /nfs/dbraw/zinc/23/83/98/395238398.db2.gz HTIOCAFZKGCOSJ-CALCHBBNSA-N 2 1 279.472 2.443 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](COC)C2CCOCC2)CC1 ZINC000187977777 395309829 /nfs/dbraw/zinc/30/98/29/395309829.db2.gz IUMVRQVUENYRRG-KRWDZBQOSA-N 2 1 296.455 2.058 20 30 CEEDMP C=CCC[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)C1CC1 ZINC000442869514 395397702 /nfs/dbraw/zinc/39/77/02/395397702.db2.gz DMNHYLDCIPHNOH-MRXNPFEDSA-N 2 1 279.472 2.347 20 30 CEEDMP N#CCC[C@H](C#N)C[NH2+]Cc1ccc(Cn2ccnc2)cc1 ZINC000571994254 395585526 /nfs/dbraw/zinc/58/55/26/395585526.db2.gz OEOQMFCPUSSQSZ-QGZVFWFLSA-N 2 1 293.374 2.465 20 30 CEEDMP C=CC[N@@H+](C[C@@H](C[NH3+])c1ccc(OC)cc1)[C@@H](C)COC ZINC000662299414 415761977 /nfs/dbraw/zinc/76/19/77/415761977.db2.gz PHJANLTZALTPPW-GOEBONIOSA-N 2 1 292.423 2.260 20 30 CEEDMP Cc1cc(N2CCC([NH2+][C@H]3CC[C@@H](C#N)C3)CC2)nc(C)[nH+]1 ZINC000333075964 228189422 /nfs/dbraw/zinc/18/94/22/228189422.db2.gz LCLFNQLFWWRQJK-ZBFHGGJFSA-N 2 1 299.422 2.344 20 30 CEEDMP C=C(C)C[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000364339998 262209280 /nfs/dbraw/zinc/20/92/80/262209280.db2.gz FNIAQTUGVIVSAZ-RBSFLKMASA-N 2 1 252.402 2.042 20 30 CEEDMP C[C@@H](CCNC(=[NH2+])N(C)C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000273353535 263015954 /nfs/dbraw/zinc/01/59/54/263015954.db2.gz QXOQQDAEOMLBBW-AWEZNQCLSA-N 2 1 288.439 2.306 20 30 CEEDMP CN(CC#CC[N@H+](C)Cc1ccoc1)Cc1ccoc1 ZINC000341830436 263353792 /nfs/dbraw/zinc/35/37/92/263353792.db2.gz GKWSXJXOYASGPW-UHFFFAOYSA-N 2 1 272.348 2.440 20 30 CEEDMP CN(CC#CC[N@@H+](C)Cc1ccoc1)Cc1ccoc1 ZINC000341830436 263353793 /nfs/dbraw/zinc/35/37/93/263353793.db2.gz GKWSXJXOYASGPW-UHFFFAOYSA-N 2 1 272.348 2.440 20 30 CEEDMP C[C@@H]1C[C@H](C)[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1C[NH3+] ZINC000397386746 267088459 /nfs/dbraw/zinc/08/84/59/267088459.db2.gz MFLXBQCLICQERJ-WWGRRREGSA-N 2 1 257.381 2.363 20 30 CEEDMP CC[N@@H+](C)C[C@@H]1CCN(Cc2cc(C#N)ccc2OC)C1 ZINC000154532346 289148279 /nfs/dbraw/zinc/14/82/79/289148279.db2.gz WCXUNJMREGMWLO-HNNXBMFYSA-N 2 1 287.407 2.340 20 30 CEEDMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CC(C)(C)CC#N ZINC000423168669 330174135 /nfs/dbraw/zinc/17/41/35/330174135.db2.gz HQEDTVBOLZTNRA-UKRRQHHQSA-N 2 1 259.397 2.474 20 30 CEEDMP CC(C)CNC(=[NH2+])NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000195291025 331166625 /nfs/dbraw/zinc/16/66/25/331166625.db2.gz MZPNEPMIMQKWGV-INIZCTEOSA-N 2 1 288.439 2.069 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1 ZINC000491070703 332146027 /nfs/dbraw/zinc/14/60/27/332146027.db2.gz DTCJTSYTFZSYMD-GVDBMIGSSA-N 2 1 278.440 2.126 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1 ZINC000491070703 332146029 /nfs/dbraw/zinc/14/60/29/332146029.db2.gz DTCJTSYTFZSYMD-GVDBMIGSSA-N 2 1 278.440 2.126 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCCC[C@H]1[C@H]1CCOC1 ZINC000491070706 332146039 /nfs/dbraw/zinc/14/60/39/332146039.db2.gz DTCJTSYTFZSYMD-YESZJQIVSA-N 2 1 278.440 2.126 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCCC[C@H]1[C@H]1CCOC1 ZINC000491070706 332146041 /nfs/dbraw/zinc/14/60/41/332146041.db2.gz DTCJTSYTFZSYMD-YESZJQIVSA-N 2 1 278.440 2.126 20 30 CEEDMP C=C[C@H](CO)[NH2+]C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000353572471 527592118 /nfs/dbraw/zinc/59/21/18/527592118.db2.gz XSWVLKPXKKAWQR-LZWOXQAQSA-N 2 1 266.429 2.166 20 30 CEEDMP C=CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001024513532 625591648 /nfs/dbraw/zinc/59/16/48/625591648.db2.gz QRMQECVHFDVDFP-CVEARBPZSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001024513532 625591650 /nfs/dbraw/zinc/59/16/50/625591650.db2.gz QRMQECVHFDVDFP-CVEARBPZSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001024513532 625591652 /nfs/dbraw/zinc/59/16/52/625591652.db2.gz QRMQECVHFDVDFP-CVEARBPZSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001024513532 625591653 /nfs/dbraw/zinc/59/16/53/625591653.db2.gz QRMQECVHFDVDFP-CVEARBPZSA-N 2 1 293.455 2.018 20 30 CEEDMP CC[NH+](CC)[C@@H](CNC(NC1CC1)=[NH+]C)c1ccccc1 ZINC000103337598 624301373 /nfs/dbraw/zinc/30/13/73/624301373.db2.gz YZSWNRIRPIAZRJ-INIZCTEOSA-N 2 1 288.439 2.397 20 30 CEEDMP CC(C)C[N@H+]1CCC[C@@H](CNC(=[NH2+])N2CCCCC2)C1 ZINC000157398731 624975697 /nfs/dbraw/zinc/97/56/97/624975697.db2.gz UMQNHZXVFIDLGY-HNNXBMFYSA-N 2 1 280.460 2.155 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+]Cc1cccc2[nH]ccc21 ZINC000328011182 627743546 /nfs/dbraw/zinc/74/35/46/627743546.db2.gz QANBMPBJTTWXCX-UHFFFAOYSA-N 2 1 255.365 2.213 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1cccc2[nH]ccc21 ZINC000328011182 627743552 /nfs/dbraw/zinc/74/35/52/627743552.db2.gz QANBMPBJTTWXCX-UHFFFAOYSA-N 2 1 255.365 2.213 20 30 CEEDMP C=C(C)CN1CCC([NH2+]Cc2cn(CC)nc2C)CC1 ZINC000892881258 627827631 /nfs/dbraw/zinc/82/76/31/627827631.db2.gz UCKBXGKDHFKHJM-UHFFFAOYSA-N 2 1 276.428 2.342 20 30 CEEDMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cnc3ccc(C#N)cn23)C1 ZINC000123510828 628383430 /nfs/dbraw/zinc/38/34/30/628383430.db2.gz OYDKSEWDXJSOJW-OAHLLOKOSA-N 2 1 297.406 2.027 20 30 CEEDMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cnc3ccc(C#N)cn23)C1 ZINC000123510828 628383432 /nfs/dbraw/zinc/38/34/32/628383432.db2.gz OYDKSEWDXJSOJW-OAHLLOKOSA-N 2 1 297.406 2.027 20 30 CEEDMP C=C(C)C[C@H](CO)[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000925772406 628777598 /nfs/dbraw/zinc/77/75/98/628777598.db2.gz SQLUHVBVJURWTK-BRWVUGGUSA-N 2 1 274.408 2.396 20 30 CEEDMP C=C(C)C[C@H](CO)[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000925772407 628777814 /nfs/dbraw/zinc/77/78/14/628777814.db2.gz SQLUHVBVJURWTK-GVDBMIGSSA-N 2 1 274.408 2.396 20 30 CEEDMP C[C@H](CC[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)[NH+](C)C ZINC000895296663 630089918 /nfs/dbraw/zinc/08/99/18/630089918.db2.gz ARYXYQWJYRJXNS-KGLIPLIRSA-N 2 1 275.396 2.407 20 30 CEEDMP CC(C)NC(=[NH2+])NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000303888324 631092876 /nfs/dbraw/zinc/09/28/76/631092876.db2.gz OWJFSYLETAUULW-BETUJISGSA-N 2 1 268.449 2.056 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1C[C@@H](OC(C)C)C1(C)C ZINC000815652208 633043914 /nfs/dbraw/zinc/04/39/14/633043914.db2.gz UGLJAIXAWPRVMY-LSDHHAIUSA-N 2 1 266.429 2.123 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1C[C@@H](OC(C)C)C1(C)C ZINC000815652208 633043919 /nfs/dbraw/zinc/04/39/19/633043919.db2.gz UGLJAIXAWPRVMY-LSDHHAIUSA-N 2 1 266.429 2.123 20 30 CEEDMP C=CCCC[C@H]([NH3+])c1nc(C2([NH3+])CCCC2)no1 ZINC000900005885 633170616 /nfs/dbraw/zinc/17/06/16/633170616.db2.gz MZSBPJAMRSIHAO-JTQLQIEISA-N 2 1 250.346 2.154 20 30 CEEDMP C=CCC[C@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903185299 635002145 /nfs/dbraw/zinc/00/21/45/635002145.db2.gz CXESRAJWZAYBLG-WPXLMEDKSA-N 2 1 264.413 2.061 20 30 CEEDMP N#Cc1ccc([C@H]2C[N@H+](CCCCCC[NH3+])CCO2)cc1 ZINC000903823889 635291960 /nfs/dbraw/zinc/29/19/60/635291960.db2.gz KLFANGYQPZZXSQ-QGZVFWFLSA-N 2 1 287.407 2.451 20 30 CEEDMP N#Cc1ccc([C@H]2C[N@@H+](CCCCCC[NH3+])CCO2)cc1 ZINC000903823889 635291961 /nfs/dbraw/zinc/29/19/61/635291961.db2.gz KLFANGYQPZZXSQ-QGZVFWFLSA-N 2 1 287.407 2.451 20 30 CEEDMP C[C@H]1C[C@@H](C[N@@H+](C)Cc2cc(C#N)cs2)CC[NH2+]1 ZINC000904469186 635647188 /nfs/dbraw/zinc/64/71/88/635647188.db2.gz JHZKGZIGAZNKKE-RYUDHWBXSA-N 2 1 263.410 2.440 20 30 CEEDMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000842152786 639967247 /nfs/dbraw/zinc/96/72/47/639967247.db2.gz JGVVLWVNRQJREG-QGZVFWFLSA-N 2 1 298.390 2.119 20 30 CEEDMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000842152786 639967250 /nfs/dbraw/zinc/96/72/50/639967250.db2.gz JGVVLWVNRQJREG-QGZVFWFLSA-N 2 1 298.390 2.119 20 30 CEEDMP C[NH+]1CCC2(CCC[N@@H+](Cc3cccc(C#N)n3)C2)CC1 ZINC000877497592 650751371 /nfs/dbraw/zinc/75/13/71/650751371.db2.gz UMMVVLSXTRWJGI-UHFFFAOYSA-N 2 1 284.407 2.261 20 30 CEEDMP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC000999142573 642461465 /nfs/dbraw/zinc/46/14/65/642461465.db2.gz BHBYHLQAUQHGAR-HZPDHXFCSA-N 2 1 293.455 2.016 20 30 CEEDMP C#CCOc1ccc(C[NH+]2CC[C@H]3[C@H](CC[N@H+]3C)C2)cc1 ZINC000877742854 650887327 /nfs/dbraw/zinc/88/73/27/650887327.db2.gz GRJHGMDAYONSHY-AEFFLSMTSA-N 2 1 284.403 2.225 20 30 CEEDMP C#CCOc1ccc(C[NH+]2CC[C@H]3[C@H](CC[N@@H+]3C)C2)cc1 ZINC000877742854 650887337 /nfs/dbraw/zinc/88/73/37/650887337.db2.gz GRJHGMDAYONSHY-AEFFLSMTSA-N 2 1 284.403 2.225 20 30 CEEDMP C#CCOc1ccc(C[N@@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)cc1 ZINC000877742854 650887340 /nfs/dbraw/zinc/88/73/40/650887340.db2.gz GRJHGMDAYONSHY-AEFFLSMTSA-N 2 1 284.403 2.225 20 30 CEEDMP C#CCOc1ccc(C[N@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)cc1 ZINC000877742854 650887344 /nfs/dbraw/zinc/88/73/44/650887344.db2.gz GRJHGMDAYONSHY-AEFFLSMTSA-N 2 1 284.403 2.225 20 30 CEEDMP N#Cc1ccc2c(c1)C[C@H]([NH2+]C1CC[NH+](C3CC3)CC1)C2 ZINC000866615353 647842289 /nfs/dbraw/zinc/84/22/89/647842289.db2.gz DCOYZTAHWKFENT-QGZVFWFLSA-N 2 1 281.403 2.242 20 30 CEEDMP C=CC(C)(C)CCC[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000872243760 649326388 /nfs/dbraw/zinc/32/63/88/649326388.db2.gz VMITXLKAMHMYBG-AWEZNQCLSA-N 2 1 254.418 2.024 20 30 CEEDMP C=CC(C)(C)CCC[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000872243760 649326392 /nfs/dbraw/zinc/32/63/92/649326392.db2.gz VMITXLKAMHMYBG-AWEZNQCLSA-N 2 1 254.418 2.024 20 30 CEEDMP C[C@H]([NH2+][C@H]1Cc2ccc(C#N)cc2C1)[C@@H]1CCCC[NH2+]1 ZINC000873275840 649621556 /nfs/dbraw/zinc/62/15/56/649621556.db2.gz ONVXFMDPAJNDSP-ZLIFDBKOSA-N 2 1 269.392 2.146 20 30 CEEDMP C=C(Cl)C[N@@H+](CCOC)CC1CC[NH+](C)CC1 ZINC000879123131 651247006 /nfs/dbraw/zinc/24/70/06/651247006.db2.gz DJHYPOJVWRWEJS-UHFFFAOYSA-N 2 1 260.809 2.029 20 30 CEEDMP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccc(CC#N)cc3)CC[C@H]21 ZINC000879581785 651327030 /nfs/dbraw/zinc/32/70/30/651327030.db2.gz ODYQMHVJXVTWMK-DLBZAZTESA-N 2 1 269.392 2.279 20 30 CEEDMP C[N@H+]1CC[C@H]2C[NH+](Cc3ccc(CC#N)cc3)CC[C@H]21 ZINC000879581785 651327032 /nfs/dbraw/zinc/32/70/32/651327032.db2.gz ODYQMHVJXVTWMK-DLBZAZTESA-N 2 1 269.392 2.279 20 30 CEEDMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccc(CC#N)cc3)CC[C@H]21 ZINC000879581785 651327035 /nfs/dbraw/zinc/32/70/35/651327035.db2.gz ODYQMHVJXVTWMK-DLBZAZTESA-N 2 1 269.392 2.279 20 30 CEEDMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc(CC#N)cc3)CC[C@H]21 ZINC000879581785 651327038 /nfs/dbraw/zinc/32/70/38/651327038.db2.gz ODYQMHVJXVTWMK-DLBZAZTESA-N 2 1 269.392 2.279 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+]Cc1ccc2occc2c1 ZINC000883131066 652371778 /nfs/dbraw/zinc/37/17/78/652371778.db2.gz FDJHUVDYOHUZFR-UHFFFAOYSA-N 2 1 256.349 2.478 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc2occc2c1 ZINC000883131066 652371784 /nfs/dbraw/zinc/37/17/84/652371784.db2.gz FDJHUVDYOHUZFR-UHFFFAOYSA-N 2 1 256.349 2.478 20 30 CEEDMP Cc1ccc(CC#N)c(N(C)CC2CC[NH+](C)CC2)[nH+]1 ZINC001165042031 721937732 /nfs/dbraw/zinc/93/77/32/721937732.db2.gz BXZJLKBZVGALQQ-UHFFFAOYSA-N 2 1 272.396 2.234 20 30 CEEDMP C=CC[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167994225 805598738 /nfs/dbraw/zinc/59/87/38/805598738.db2.gz ZNOPPEKNZMHAKQ-JWTNVVGKSA-N 2 1 289.467 2.195 20 30 CEEDMP C=CC[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167994225 805598741 /nfs/dbraw/zinc/59/87/41/805598741.db2.gz ZNOPPEKNZMHAKQ-JWTNVVGKSA-N 2 1 289.467 2.195 20 30 CEEDMP C=C(C)C[NH2+][C@@H](C)[C@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001271665442 806015859 /nfs/dbraw/zinc/01/58/59/806015859.db2.gz LCAFOKKRQAYMAA-HOTGVXAUSA-N 2 1 295.471 2.121 20 30 CEEDMP C=CCCC[NH2+]CC1(CCNC(=O)C[N@H+](C)C(C)C)CC1 ZINC001168345551 806666901 /nfs/dbraw/zinc/66/69/01/806666901.db2.gz QCJZBKGLORZOJI-UHFFFAOYSA-N 2 1 295.471 2.169 20 30 CEEDMP C=C(C)CC[N@@H+](CC)CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001267253954 803297950 /nfs/dbraw/zinc/29/79/50/803297950.db2.gz XHASCDZCMLJQFD-UHFFFAOYSA-N 2 1 295.471 2.123 20 30 CEEDMP C=CCC[N@H+](CCCNC(=O)C1CC[NH+](C)CC1)C(C)C ZINC001267507122 803516794 /nfs/dbraw/zinc/51/67/94/803516794.db2.gz FQAAGOBYNGCBPS-UHFFFAOYSA-N 2 1 295.471 2.121 20 30 CEEDMP C=CCC[NH2+]CC1(CCNC(=O)CC[N@H+](C)CCC)CC1 ZINC001167812581 804357882 /nfs/dbraw/zinc/35/78/82/804357882.db2.gz QDBUIAGBJLNZOZ-UHFFFAOYSA-N 2 1 295.471 2.171 20 30 CEEDMP C=C(C)C[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001028335519 804718509 /nfs/dbraw/zinc/71/85/09/804718509.db2.gz WRICOSVCOHHHAX-HZPDHXFCSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001028335519 804718513 /nfs/dbraw/zinc/71/85/13/804718513.db2.gz WRICOSVCOHHHAX-HZPDHXFCSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001028335519 804718515 /nfs/dbraw/zinc/71/85/15/804718515.db2.gz WRICOSVCOHHHAX-HZPDHXFCSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCCC[NH+]1CC[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001269034155 805029790 /nfs/dbraw/zinc/02/97/90/805029790.db2.gz RGESWPMUVPMPBR-JKSUJKDBSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCCC[N@H+]1CC[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001269034155 805029800 /nfs/dbraw/zinc/02/98/00/805029800.db2.gz RGESWPMUVPMPBR-JKSUJKDBSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCCC[N@@H+]1CC[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001269034155 805029812 /nfs/dbraw/zinc/02/98/12/805029812.db2.gz RGESWPMUVPMPBR-JKSUJKDBSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)CC[NH2+][C@H](CC)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001269454322 805168841 /nfs/dbraw/zinc/16/88/41/805168841.db2.gz LRZCXKVNRJACGF-HRCADAONSA-N 2 1 295.471 2.167 20 30 CEEDMP C[C@H]1C[N@@H+](CCCc2cccc(C#N)c2)C[C@H]1C[NH3+] ZINC001205131135 807736699 /nfs/dbraw/zinc/73/66/99/807736699.db2.gz RABMSLQULKZKBN-XJKSGUPXSA-N 2 1 257.381 2.017 20 30 CEEDMP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001171546572 815187946 /nfs/dbraw/zinc/18/79/46/815187946.db2.gz LIYDCMJKFUWVMW-CVEARBPZSA-N 2 1 295.471 2.311 20 30 CEEDMP CCCCCCC[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001127706624 808260910 /nfs/dbraw/zinc/26/09/10/808260910.db2.gz PERJALLNWOKTCA-JKSUJKDBSA-N 2 1 297.487 2.393 20 30 CEEDMP C=CCN1CC[NH+](C2CC(C)(C)[NH+](C)C(C)(C)C2)CC1 ZINC001171638180 815214020 /nfs/dbraw/zinc/21/40/20/815214020.db2.gz VNWVYRIPBMSITK-UHFFFAOYSA-N 2 1 279.472 2.441 20 30 CEEDMP C[NH+](C)CCC[N@H+](C)Cc1c[nH]c2cc(C#N)ccc12 ZINC001142911811 808561326 /nfs/dbraw/zinc/56/13/26/808561326.db2.gz KPZHSVCBIKCQKJ-UHFFFAOYSA-N 2 1 270.380 2.423 20 30 CEEDMP C=CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001034537982 809627826 /nfs/dbraw/zinc/62/78/26/809627826.db2.gz GVJJBWBFKMEADY-HOTGVXAUSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001034537982 809627830 /nfs/dbraw/zinc/62/78/30/809627830.db2.gz GVJJBWBFKMEADY-HOTGVXAUSA-N 2 1 293.455 2.018 20 30 CEEDMP COCCCN1CCC([N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)CC1 ZINC001172253258 815359589 /nfs/dbraw/zinc/35/95/89/815359589.db2.gz ILNNINWFYNCLPX-XGBSXSJOSA-N 2 1 291.439 2.254 20 30 CEEDMP COCCC[NH+]1CCC([N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)CC1 ZINC001172253258 815359595 /nfs/dbraw/zinc/35/95/95/815359595.db2.gz ILNNINWFYNCLPX-XGBSXSJOSA-N 2 1 291.439 2.254 20 30 CEEDMP COCCC[NH+]1CCC([N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)CC1 ZINC001172253258 815359601 /nfs/dbraw/zinc/35/96/01/815359601.db2.gz ILNNINWFYNCLPX-XGBSXSJOSA-N 2 1 291.439 2.254 20 30 CEEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001019468042 810713865 /nfs/dbraw/zinc/71/38/65/810713865.db2.gz DXOIRAKYKQFMMN-HOTGVXAUSA-N 2 1 293.455 2.016 20 30 CEEDMP CCCCCCC[C@@H](CC)[NH2+]C[C@H](C[NH3+])C(=O)OC ZINC001172345745 815399281 /nfs/dbraw/zinc/39/92/81/815399281.db2.gz CDLDCMFVHFIZPU-UONOGXRCSA-N 2 1 272.433 2.463 20 30 CEEDMP Cc1ccc(CC#N)c(NC[C@@]2(F)CCCC[NH2+]C2)[nH+]1 ZINC001155117465 810984403 /nfs/dbraw/zinc/98/44/03/810984403.db2.gz GNPLZNNJXDSKGH-OAHLLOKOSA-N 2 1 276.359 2.350 20 30 CEEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)CC[C@@H]1C ZINC001132248825 812811093 /nfs/dbraw/zinc/81/10/93/812811093.db2.gz JHSPHEADZBRJFU-HOTGVXAUSA-N 2 1 295.471 2.264 20 30 CEEDMP C=CCCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)CCC)CC[C@H]1C ZINC001132441435 812855968 /nfs/dbraw/zinc/85/59/68/812855968.db2.gz OWWHZEJZDTWBKG-CVEARBPZSA-N 2 1 295.471 2.264 20 30 CEEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CCC)CC[C@H]1C ZINC001132441435 812855974 /nfs/dbraw/zinc/85/59/74/812855974.db2.gz OWWHZEJZDTWBKG-CVEARBPZSA-N 2 1 295.471 2.264 20 30 CEEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)CCC)CC[C@H]1C ZINC001132441435 812855982 /nfs/dbraw/zinc/85/59/82/812855982.db2.gz OWWHZEJZDTWBKG-CVEARBPZSA-N 2 1 295.471 2.264 20 30 CEEDMP C=CC[N@@H+]1C[C@H](NC(=O)CC[NH+]2CCCCC2)CC[C@H]1C ZINC001132517420 812872155 /nfs/dbraw/zinc/87/21/55/812872155.db2.gz CCAVAFSADUEDDX-HZPDHXFCSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)CC[NH2+][C@H](C)C[C@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001135029470 813356109 /nfs/dbraw/zinc/35/61/09/813356109.db2.gz NOHVYKVLGIYHAW-KGLIPLIRSA-N 2 1 292.427 2.031 20 30 CEEDMP Cc1[nH+]ccn1CC[NH2+][C@H](C)Cc1cccc(C#N)c1 ZINC001171179683 814060685 /nfs/dbraw/zinc/06/06/85/814060685.db2.gz WIKJIKWSXARJAZ-CYBMUJFWSA-N 2 1 268.364 2.284 20 30 CEEDMP C=CC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2C)CCCCC1 ZINC001115598776 814726113 /nfs/dbraw/zinc/72/61/13/814726113.db2.gz YIDSQSCOKWZKFH-HNNXBMFYSA-N 2 1 293.455 2.065 20 30 CEEDMP CCc1cc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)ccc1C#N ZINC001206212577 815797789 /nfs/dbraw/zinc/79/77/89/815797789.db2.gz SAMVCQJENNUDQM-HOTGVXAUSA-N 2 1 275.371 2.382 20 30 CEEDMP CCc1cc(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)ccc1C#N ZINC001206212577 815797793 /nfs/dbraw/zinc/79/77/93/815797793.db2.gz SAMVCQJENNUDQM-HOTGVXAUSA-N 2 1 275.371 2.382 20 30 CEEDMP C#CCOc1ccc(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)cc1 ZINC001138559170 815827324 /nfs/dbraw/zinc/82/73/24/815827324.db2.gz FVGJBLLCYIKYBY-SJORKVTESA-N 2 1 284.403 2.082 20 30 CEEDMP C#CCOc1ccc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)cc1 ZINC001138559170 815827332 /nfs/dbraw/zinc/82/73/32/815827332.db2.gz FVGJBLLCYIKYBY-SJORKVTESA-N 2 1 284.403 2.082 20 30 CEEDMP C#CCOc1ccc(C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)cc1 ZINC001138559170 815827339 /nfs/dbraw/zinc/82/73/39/815827339.db2.gz FVGJBLLCYIKYBY-SJORKVTESA-N 2 1 284.403 2.082 20 30 CEEDMP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001175255809 816163664 /nfs/dbraw/zinc/16/36/64/816163664.db2.gz HIGGFUCUWCIQDF-CVEARBPZSA-N 2 1 295.471 2.311 20 30 CEEDMP C[NH+](C)CCC[N@H+](C)Cc1c[nH]c2ccc(C#N)cc12 ZINC001140111247 816192188 /nfs/dbraw/zinc/19/21/88/816192188.db2.gz GFONPWUOSKXLMF-UHFFFAOYSA-N 2 1 270.380 2.423 20 30 CEEDMP C[NH+](C)CCC[N@@H+](C)Cc1c[nH]c2ccc(C#N)cc12 ZINC001140111247 816192189 /nfs/dbraw/zinc/19/21/89/816192189.db2.gz GFONPWUOSKXLMF-UHFFFAOYSA-N 2 1 270.380 2.423 20 30 CEEDMP CCCCCCC[NH2+]CCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001176056297 816343392 /nfs/dbraw/zinc/34/33/92/816343392.db2.gz FPLXQRXBBRJLOX-HNNXBMFYSA-N 2 1 283.460 2.004 20 30 CEEDMP CNC(NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1)=[NH+]C ZINC000057887173 343640304 /nfs/dbraw/zinc/64/03/04/343640304.db2.gz IVEWYRKMGSJCPG-CQSZACIVSA-N 2 1 288.439 2.213 20 30 CEEDMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)CC1(C#N)CCOCC1 ZINC000602517071 347064698 /nfs/dbraw/zinc/06/46/98/347064698.db2.gz BCIVAARHNYCZAG-AWEZNQCLSA-N 2 1 290.411 2.270 20 30 CEEDMP N#Cc1cnccc1C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000595900835 345910437 /nfs/dbraw/zinc/91/04/37/345910437.db2.gz MWNKZKJQLVEZIK-OAHLLOKOSA-N 2 1 284.407 2.165 20 30 CEEDMP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(C4(C#N)CC4)cc3)C[C@@H]2C1 ZINC000597116140 346130178 /nfs/dbraw/zinc/13/01/78/346130178.db2.gz FIGPJTDMDWCENC-IYBDPMFKSA-N 2 1 281.403 2.235 20 30 CEEDMP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(C4(C#N)CC4)cc3)C[C@@H]2C1 ZINC000597116140 346130180 /nfs/dbraw/zinc/13/01/80/346130180.db2.gz FIGPJTDMDWCENC-IYBDPMFKSA-N 2 1 281.403 2.235 20 30 CEEDMP C[NH+]1C[C@@H]2C[N@H+](Cc3ccc(C4(C#N)CC4)cc3)C[C@@H]2C1 ZINC000597116140 346130183 /nfs/dbraw/zinc/13/01/83/346130183.db2.gz FIGPJTDMDWCENC-IYBDPMFKSA-N 2 1 281.403 2.235 20 30 CEEDMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@H](O)CC(C)(C)C#N ZINC000598595513 346380484 /nfs/dbraw/zinc/38/04/84/346380484.db2.gz OUYUAISOMOBMRC-HUUCEWRRSA-N 2 1 281.444 2.093 20 30 CEEDMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@H](O)CC(C)(C)C#N ZINC000598595513 346380486 /nfs/dbraw/zinc/38/04/86/346380486.db2.gz OUYUAISOMOBMRC-HUUCEWRRSA-N 2 1 281.444 2.093 20 30 CEEDMP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@H](O)CC(C)(C)C#N ZINC000598595513 346380487 /nfs/dbraw/zinc/38/04/87/346380487.db2.gz OUYUAISOMOBMRC-HUUCEWRRSA-N 2 1 281.444 2.093 20 30 CEEDMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]C[C@H](O)CC(C)(C)C#N)C1 ZINC000598724130 346408608 /nfs/dbraw/zinc/40/86/08/346408608.db2.gz IPTOIKMCKINVBZ-JKSUJKDBSA-N 2 1 295.471 2.245 20 30 CEEDMP C[C@@H]1CC[N@@H+](CC2(CC#N)CC2)C[C@H]1n1ccnc1 ZINC000602794343 347200666 /nfs/dbraw/zinc/20/06/66/347200666.db2.gz ACQSENQYVWUSAW-ZIAGYGMSSA-N 2 1 258.369 2.460 20 30 CEEDMP N#CCCCOc1cccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000611287857 347763124 /nfs/dbraw/zinc/76/31/24/347763124.db2.gz ZEEMGDZCKFQUNA-HZPDHXFCSA-N 2 1 285.391 2.020 20 30 CEEDMP CC[N@H+]1CC[C@H](N(C)Cc2ccnc(C#N)c2)C[C@@H]1C ZINC000610994666 347729970 /nfs/dbraw/zinc/72/99/70/347729970.db2.gz MDUWZSGJFLTJET-BBRMVZONSA-N 2 1 272.396 2.258 20 30 CEEDMP COCC#CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000677133324 540983466 /nfs/dbraw/zinc/98/34/66/540983466.db2.gz RMQXHOFYJXFYMS-SFHVURJKSA-N 2 1 286.419 2.090 20 30 CEEDMP COCC#CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000677133324 540983468 /nfs/dbraw/zinc/98/34/68/540983468.db2.gz RMQXHOFYJXFYMS-SFHVURJKSA-N 2 1 286.419 2.090 20 30 CEEDMP COCC#CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000677133324 540983470 /nfs/dbraw/zinc/98/34/70/540983470.db2.gz RMQXHOFYJXFYMS-SFHVURJKSA-N 2 1 286.419 2.090 20 30 CEEDMP COCC#CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000677133324 540983472 /nfs/dbraw/zinc/98/34/72/540983472.db2.gz RMQXHOFYJXFYMS-SFHVURJKSA-N 2 1 286.419 2.090 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCCc3c2cnn3C)CC1 ZINC000153051577 366727210 /nfs/dbraw/zinc/72/72/10/366727210.db2.gz VAXAXFNWGPCYKQ-INIZCTEOSA-N 2 1 288.439 2.428 20 30 CEEDMP N#Cc1cccc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000343572301 367890954 /nfs/dbraw/zinc/89/09/54/367890954.db2.gz MRHXJBNFIDSSQQ-IAGOWNOFSA-N 2 1 269.392 2.317 20 30 CEEDMP C=C(CC)C[N@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343707969 367965267 /nfs/dbraw/zinc/96/52/67/367965267.db2.gz CAZFZIDMMCRUQY-OAHLLOKOSA-N 2 1 265.445 2.053 20 30 CEEDMP C=C(C)C[NH+]1CCC(NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000345323336 368235189 /nfs/dbraw/zinc/23/51/89/368235189.db2.gz SHZAAPUTUBGRKL-GASCZTMLSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CCOc1cccc(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000346669869 368761569 /nfs/dbraw/zinc/76/15/69/368761569.db2.gz JDXYXKXOWJYVOG-HIFRSBDPSA-N 2 1 260.381 2.421 20 30 CEEDMP C=CC[C@@H](CO)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000186695970 369022364 /nfs/dbraw/zinc/02/23/64/369022364.db2.gz HMQIYPUOLCBPHX-SFHVURJKSA-N 2 1 288.435 2.220 20 30 CEEDMP C=CCc1cc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cc(OC)c1O ZINC000634998777 369032301 /nfs/dbraw/zinc/03/23/01/369032301.db2.gz KZJQPUNTELQSCU-IUODEOHRSA-N 2 1 290.407 2.156 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCOC[C@H]2C)CC1 ZINC000192539539 369826377 /nfs/dbraw/zinc/82/63/77/369826377.db2.gz NLWKJTYQPJZOQZ-UKRRQHHQSA-N 2 1 252.402 2.042 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](OC)C2CCOCC2)CC1 ZINC000638524869 370590669 /nfs/dbraw/zinc/59/06/69/370590669.db2.gz UBJNHIRKRFJLNO-KRWDZBQOSA-N 2 1 296.455 2.058 20 30 CEEDMP N#C[C@@H]1CCC[C@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)C1 ZINC000361458227 371855247 /nfs/dbraw/zinc/85/52/47/371855247.db2.gz FKOCUEQMQGITCF-CVEARBPZSA-N 2 1 291.439 2.303 20 30 CEEDMP CCc1ccc(CNC(=[NH2+])NC[C@H]2CCC[N@@H+]2CC)s1 ZINC000264069104 371960626 /nfs/dbraw/zinc/96/06/26/371960626.db2.gz CPOGNDMSVMUASZ-GFCCVEGCSA-N 2 1 294.468 2.199 20 30 CEEDMP C=C[C@H](CO)[NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000641771683 372713028 /nfs/dbraw/zinc/71/30/28/372713028.db2.gz AZULWXZTGBLVMK-MRXNPFEDSA-N 2 1 276.424 2.281 20 30 CEEDMP C=C[C@H](CO)[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000641771683 372713040 /nfs/dbraw/zinc/71/30/40/372713040.db2.gz AZULWXZTGBLVMK-MRXNPFEDSA-N 2 1 276.424 2.281 20 30 CEEDMP C=C(CC)C[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000644664397 373593796 /nfs/dbraw/zinc/59/37/96/373593796.db2.gz DUEFTEUFTLNYAR-INIZCTEOSA-N 2 1 262.397 2.035 20 30 CEEDMP C=C(CC)C[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000644664397 373593803 /nfs/dbraw/zinc/59/38/03/373593803.db2.gz DUEFTEUFTLNYAR-INIZCTEOSA-N 2 1 262.397 2.035 20 30 CEEDMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc(C#N)cc1 ZINC000371296138 373834508 /nfs/dbraw/zinc/83/45/08/373834508.db2.gz XGFMKOYCNBPQEC-SQNIBIBYSA-N 2 1 299.418 2.242 20 30 CEEDMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(C#N)cc1 ZINC000371296138 373834516 /nfs/dbraw/zinc/83/45/16/373834516.db2.gz XGFMKOYCNBPQEC-SQNIBIBYSA-N 2 1 299.418 2.242 20 30 CEEDMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc(C#N)cc1 ZINC000371296135 373835047 /nfs/dbraw/zinc/83/50/47/373835047.db2.gz XGFMKOYCNBPQEC-FGTMMUONSA-N 2 1 299.418 2.242 20 30 CEEDMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(C#N)cc1 ZINC000371296135 373835055 /nfs/dbraw/zinc/83/50/55/373835055.db2.gz XGFMKOYCNBPQEC-FGTMMUONSA-N 2 1 299.418 2.242 20 30 CEEDMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCSCc1ccccc1C#N ZINC000422989495 376909920 /nfs/dbraw/zinc/90/99/20/376909920.db2.gz LYXBTTHDGJDLNE-XJKSGUPXSA-N 2 1 289.448 2.379 20 30 CEEDMP C[C@H]1CC[N@@H+](Cc2ccc(C#N)cn2)C[C@H]1n1ccnc1 ZINC000562925264 377023563 /nfs/dbraw/zinc/02/35/63/377023563.db2.gz FGZXVOKQSFEKEY-XJKSGUPXSA-N 2 1 281.363 2.233 20 30 CEEDMP C[C@H]1CCN(Cc2ccc(C#N)cn2)C[C@H]1n1ccnc1 ZINC000562925264 377023567 /nfs/dbraw/zinc/02/35/67/377023567.db2.gz FGZXVOKQSFEKEY-XJKSGUPXSA-N 2 1 281.363 2.233 20 30 CEEDMP C[C@H](NC(=O)[C@H]1CCn2ccnc2C1)C1=CC[N@@H+](C)CC1 ZINC000329702878 376999018 /nfs/dbraw/zinc/99/90/18/376999018.db2.gz IJYFSVLUSIYDNE-JSGCOSHPSA-N 2 1 288.395 2.052 20 30 CEEDMP C=C[C@@H](CO)[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449330309 378202444 /nfs/dbraw/zinc/20/24/44/378202444.db2.gz SSMBCNMJMHDDFY-RDJZCZTQSA-N 2 1 288.435 2.219 20 30 CEEDMP C#Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CC)C2)cc1 ZINC000278967616 194234844 /nfs/dbraw/zinc/23/48/44/194234844.db2.gz OFECWKHTBHVJCY-QGZVFWFLSA-N 2 1 256.393 2.442 20 30 CEEDMP C#Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CC)C2)cc1 ZINC000278967616 194234848 /nfs/dbraw/zinc/23/48/48/194234848.db2.gz OFECWKHTBHVJCY-QGZVFWFLSA-N 2 1 256.393 2.442 20 30 CEEDMP C#Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CC)C2)cc1 ZINC000278967616 194234849 /nfs/dbraw/zinc/23/48/49/194234849.db2.gz OFECWKHTBHVJCY-QGZVFWFLSA-N 2 1 256.393 2.442 20 30 CEEDMP C#Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CC)C2)cc1 ZINC000278967616 194234851 /nfs/dbraw/zinc/23/48/51/194234851.db2.gz OFECWKHTBHVJCY-QGZVFWFLSA-N 2 1 256.393 2.442 20 30 CEEDMP C=C(C)C[NH+]1CCC(N[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000152941422 394999466 /nfs/dbraw/zinc/99/94/66/394999466.db2.gz QVZFJJFBOKZKIL-HOCLYGCPSA-N 3 1 265.445 2.099 20 30 CEEDMP C#Cc1ccc(C[N@H+]2CCC[C@H](CN3CCOCC3)C2)cc1 ZINC000289911264 395090638 /nfs/dbraw/zinc/09/06/38/395090638.db2.gz XYJKYGZMCPXMMK-LJQANCHMSA-N 2 1 298.430 2.212 20 30 CEEDMP C#Cc1ccc(CN2CC[C@@H]3CC[N@H+](C)C[C@@H]32)cc1 ZINC000290487857 395105368 /nfs/dbraw/zinc/10/53/68/395105368.db2.gz VTPQMEYPNFPTND-IRXDYDNUSA-N 2 1 254.377 2.194 20 30 CEEDMP C#Cc1ccc(C[N@H+]2CC[C@@H]3CCN(C)C[C@@H]32)cc1 ZINC000290487857 395105370 /nfs/dbraw/zinc/10/53/70/395105370.db2.gz VTPQMEYPNFPTND-IRXDYDNUSA-N 2 1 254.377 2.194 20 30 CEEDMP C#Cc1ccc(C[N@@H+]2CC[C@@H]3CCN(C)C[C@@H]32)cc1 ZINC000290487857 395105372 /nfs/dbraw/zinc/10/53/72/395105372.db2.gz VTPQMEYPNFPTND-IRXDYDNUSA-N 2 1 254.377 2.194 20 30 CEEDMP Cc1cc(C#N)ccc1C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000186230880 395286978 /nfs/dbraw/zinc/28/69/78/395286978.db2.gz JCEGWBXTFUTLAH-HNNXBMFYSA-N 2 1 257.381 2.250 20 30 CEEDMP Cc1cc(C#N)ccc1C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000186230880 395286981 /nfs/dbraw/zinc/28/69/81/395286981.db2.gz JCEGWBXTFUTLAH-HNNXBMFYSA-N 2 1 257.381 2.250 20 30 CEEDMP Cc1cc(C#N)ccc1C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000186230858 395287104 /nfs/dbraw/zinc/28/71/04/395287104.db2.gz JCEGWBXTFUTLAH-OAHLLOKOSA-N 2 1 257.381 2.250 20 30 CEEDMP Cc1cc(C#N)ccc1C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000186230858 395287106 /nfs/dbraw/zinc/28/71/06/395287106.db2.gz JCEGWBXTFUTLAH-OAHLLOKOSA-N 2 1 257.381 2.250 20 30 CEEDMP C[C@H]([NH2+]Cc1ccc(CC#N)cc1)c1c[nH+]ccc1N ZINC000567895631 395540424 /nfs/dbraw/zinc/54/04/24/395540424.db2.gz SGBCLSIKINJBBY-LBPRGKRZSA-N 2 1 266.348 2.411 20 30 CEEDMP C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCc3ccc(C#N)cc32)C1 ZINC000569040009 395572699 /nfs/dbraw/zinc/57/26/99/395572699.db2.gz PYLOABWVPKKNIV-WMLDXEAASA-N 2 1 269.392 2.477 20 30 CEEDMP COc1cc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)ccc1C#N ZINC000459799691 395666737 /nfs/dbraw/zinc/66/67/37/395666737.db2.gz YWIHCZSBDBRDRS-AWEZNQCLSA-N 2 1 287.407 2.388 20 30 CEEDMP C=CC[C@H]1CC[C@H]([NH2+]CCC[NH+]2CCC(O)CC2)C1 ZINC000651686234 401372387 /nfs/dbraw/zinc/37/23/87/401372387.db2.gz VBMQZNBOGQYMGH-GJZGRUSLSA-N 2 1 266.429 2.168 20 30 CEEDMP C[C@H]1C[C@@H]([NH2+]CCOc2ccc(C#N)cc2)CC[N@@H+]1C ZINC000181156375 165333598 /nfs/dbraw/zinc/33/35/98/165333598.db2.gz FYJANMAHOSHNEZ-ZFWWWQNUSA-N 2 1 273.380 2.009 20 30 CEEDMP C[C@H]1C[C@@H]([NH2+]CCOc2ccc(C#N)cc2)CC[N@H+]1C ZINC000181156375 165333601 /nfs/dbraw/zinc/33/36/01/165333601.db2.gz FYJANMAHOSHNEZ-ZFWWWQNUSA-N 2 1 273.380 2.009 20 30 CEEDMP C=CC[C@H]1CC[C@@H]([NH2+]C2(CCO)CC[NH+](C)CC2)C1 ZINC000655788417 415470852 /nfs/dbraw/zinc/47/08/52/415470852.db2.gz IQMVCAFOXRMUKK-LSDHHAIUSA-N 2 1 266.429 2.168 20 30 CEEDMP C=CC[C@@H]1CCC[N@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000662299914 415760890 /nfs/dbraw/zinc/76/08/90/415760890.db2.gz ZLCPOHAALZGLMM-SQNIBIBYSA-N 2 1 288.435 2.205 20 30 CEEDMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCCSCC#N)C1 ZINC000173902372 261173407 /nfs/dbraw/zinc/17/34/07/261173407.db2.gz BRSMTYOVYQLOGX-AWEZNQCLSA-N 2 1 269.458 2.297 20 30 CEEDMP CCc1cccc(NC(=[NH2+])NCC[N@H+]2CC=CCC2)c1 ZINC000280017561 263058631 /nfs/dbraw/zinc/05/86/31/263058631.db2.gz OKAPULNAOYVLIJ-UHFFFAOYSA-N 2 1 272.396 2.238 20 30 CEEDMP CCc1cccc(NC(=[NH2+])NCC[N@@H+]2CC=CCC2)c1 ZINC000280017561 263058632 /nfs/dbraw/zinc/05/86/32/263058632.db2.gz OKAPULNAOYVLIJ-UHFFFAOYSA-N 2 1 272.396 2.238 20 30 CEEDMP C=CCOc1ccccc1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000414918028 263121492 /nfs/dbraw/zinc/12/14/92/263121492.db2.gz ROTYNGUMMUMZAP-HNNXBMFYSA-N 2 1 260.381 2.483 20 30 CEEDMP C=CCOc1ccc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1Cl ZINC000415037249 263257151 /nfs/dbraw/zinc/25/71/51/263257151.db2.gz MSRQXTVGNPGVFZ-JYAVWHMHSA-N 2 1 278.783 2.212 20 30 CEEDMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CC1(CC#N)CC1 ZINC000366761857 263390333 /nfs/dbraw/zinc/39/03/33/263390333.db2.gz VXQBCXUBQLJULI-OAGGEKHMSA-N 2 1 291.439 2.159 20 30 CEEDMP CC[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(C#N)cc1 ZINC000447527242 267194524 /nfs/dbraw/zinc/19/45/24/267194524.db2.gz DIVAJKCHZXOOMI-DLBZAZTESA-N 2 1 287.407 2.056 20 30 CEEDMP C[NH+]1CCC([NH2+][C@@H]2CCc3ccc(C#N)cc32)CC1 ZINC000335184573 277031423 /nfs/dbraw/zinc/03/14/23/277031423.db2.gz FGSKQIYDAMGHRL-MRXNPFEDSA-N 2 1 255.365 2.229 20 30 CEEDMP C[NH+]=C(NC[C@@H](c1ccc(C)o1)[NH+]1CCCC1)NC1CC1 ZINC000262140205 328145698 /nfs/dbraw/zinc/14/56/98/328145698.db2.gz PKMCOQYHFYMLFU-AWEZNQCLSA-N 2 1 290.411 2.052 20 30 CEEDMP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000583448747 327372420 /nfs/dbraw/zinc/37/24/20/327372420.db2.gz NHWFYQNSEIQDOA-SJORKVTESA-N 2 1 289.423 2.324 20 30 CEEDMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000583448747 327372421 /nfs/dbraw/zinc/37/24/21/327372421.db2.gz NHWFYQNSEIQDOA-SJORKVTESA-N 2 1 289.423 2.324 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+]C2CCC(C[NH3+])CC2)CC1 ZINC000422980211 330162563 /nfs/dbraw/zinc/16/25/63/330162563.db2.gz OVINGMQVFAQZSI-UHFFFAOYSA-N 3 1 265.445 2.134 20 30 CEEDMP C[C@@H]1CCC[C@H]([NH+]2CCC(=NN3CC[NH+](C)CC3)CC2)C1 ZINC000733743056 574686055 /nfs/dbraw/zinc/68/60/55/574686055.db2.gz DAALWCIIFRAWHW-WBVHZDCISA-N 2 1 292.471 2.264 20 30 CEEDMP C=C(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001024366098 625533201 /nfs/dbraw/zinc/53/32/01/625533201.db2.gz NNOKAPXZEZRMMI-HZPDHXFCSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001024366098 625533203 /nfs/dbraw/zinc/53/32/03/625533203.db2.gz NNOKAPXZEZRMMI-HZPDHXFCSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001024436229 625554730 /nfs/dbraw/zinc/55/47/30/625554730.db2.gz AJFARSRIEDJJTI-HOTGVXAUSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001024436229 625554733 /nfs/dbraw/zinc/55/47/33/625554733.db2.gz AJFARSRIEDJJTI-HOTGVXAUSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001024436229 625554740 /nfs/dbraw/zinc/55/47/40/625554740.db2.gz AJFARSRIEDJJTI-HOTGVXAUSA-N 2 1 293.455 2.016 20 30 CEEDMP C#CCC1([NH2+]C[C@H](O)C[N@H+](C)C(C)C)CCCCC1 ZINC000933265282 623570295 /nfs/dbraw/zinc/57/02/95/623570295.db2.gz DLWCACKCWDJDDO-HNNXBMFYSA-N 2 1 266.429 2.003 20 30 CEEDMP CCc1ccc(NC(=[NH2+])NC[C@H]2CCC[N@@H+]2CC)cc1 ZINC000104153964 624319152 /nfs/dbraw/zinc/31/91/52/624319152.db2.gz PWGNPHDVQNFFLN-OAHLLOKOSA-N 2 1 274.412 2.460 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000328196938 627867449 /nfs/dbraw/zinc/86/74/49/627867449.db2.gz RTGCLGAZSHMPPH-UHFFFAOYSA-N 2 1 296.798 2.099 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000328196938 627867453 /nfs/dbraw/zinc/86/74/53/627867453.db2.gz RTGCLGAZSHMPPH-UHFFFAOYSA-N 2 1 296.798 2.099 20 30 CEEDMP C=CC[NH2+]C1CCC(NC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001026610133 628374018 /nfs/dbraw/zinc/37/40/18/628374018.db2.gz DYHDHTSJKACYSF-UYSNPLJNSA-N 2 1 293.455 2.064 20 30 CEEDMP CC1(C)C[NH2+]C[C@H]1[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000902440805 634658670 /nfs/dbraw/zinc/65/86/70/634658670.db2.gz AGAPNOOTIOHMET-QGZVFWFLSA-N 2 1 298.434 2.115 20 30 CEEDMP CC[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)N1CC[C@@](C)(CC)C1 ZINC000261740469 629174019 /nfs/dbraw/zinc/17/40/19/629174019.db2.gz KPEFKZTVZMSFGZ-GOEBONIOSA-N 2 1 280.460 2.026 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CS[C@@H](C(C)(C)C)C1 ZINC000894863315 629701400 /nfs/dbraw/zinc/70/14/00/629701400.db2.gz XQXSATCTFPDGBM-UONOGXRCSA-N 2 1 268.470 2.451 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CS[C@@H](C(C)(C)C)C1 ZINC000894863315 629701406 /nfs/dbraw/zinc/70/14/06/629701406.db2.gz XQXSATCTFPDGBM-UONOGXRCSA-N 2 1 268.470 2.451 20 30 CEEDMP C[C@H](C#N)Oc1ccc(C[NH2+]CC[C@H](C)[NH+](C)C)cc1 ZINC000895296664 630089980 /nfs/dbraw/zinc/08/99/80/630089980.db2.gz ARYXYQWJYRJXNS-UONOGXRCSA-N 2 1 275.396 2.407 20 30 CEEDMP CCCCCCNC(=[NH2+])NCC[N@@H+](CC)C(C)C ZINC000303983596 631096623 /nfs/dbraw/zinc/09/66/23/631096623.db2.gz RFVNLXVDJYMWRQ-UHFFFAOYSA-N 2 1 256.438 2.201 20 30 CEEDMP CC(C)[N@H+]1CCC[C@@H](CNC(=[NH2+])N2CCCCCC2)C1 ZINC000305039734 631105358 /nfs/dbraw/zinc/10/53/58/631105358.db2.gz CJENAZNFXDQKCG-HNNXBMFYSA-N 2 1 280.460 2.298 20 30 CEEDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@@H](O)c1ccc(C#N)cc1 ZINC000818965927 634020619 /nfs/dbraw/zinc/02/06/19/634020619.db2.gz MNIAZSDWLKMSHN-CXAGYDPISA-N 2 1 298.390 2.023 20 30 CEEDMP Cc1cc(C#N)cc(C)c1C[N@@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000903464655 635138446 /nfs/dbraw/zinc/13/84/46/635138446.db2.gz VIAUBOYGNAPWBK-DOTOQJQBSA-N 2 1 269.392 2.488 20 30 CEEDMP Cc1cc(C#N)cc(C)c1C[N@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000903464655 635138449 /nfs/dbraw/zinc/13/84/49/635138449.db2.gz VIAUBOYGNAPWBK-DOTOQJQBSA-N 2 1 269.392 2.488 20 30 CEEDMP N#Cc1ccc([C@@H]2C[N@@H+](CCC3CC[NH2+]CC3)CCO2)cc1 ZINC000903823175 635291565 /nfs/dbraw/zinc/29/15/65/635291565.db2.gz CEKKDUKUIMNCJT-SFHVURJKSA-N 2 1 299.418 2.321 20 30 CEEDMP C=CCC[C@@H](C)[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903975288 635393679 /nfs/dbraw/zinc/39/36/79/635393679.db2.gz ZGLOESJFUWMDHA-ZIAGYGMSSA-N 2 1 252.402 2.089 20 30 CEEDMP CC[C@@H](C)NC(=[NH2+])NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000157363313 639482658 /nfs/dbraw/zinc/48/26/58/639482658.db2.gz UYRLPKHGPYZABB-KGLIPLIRSA-N 2 1 268.449 2.057 20 30 CEEDMP C=CC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H]1C ZINC000993669356 640666041 /nfs/dbraw/zinc/66/60/41/640666041.db2.gz AQFQJOSYGKXRCH-LSDHHAIUSA-N 2 1 293.455 2.016 20 30 CEEDMP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001001010825 642675571 /nfs/dbraw/zinc/67/55/71/642675571.db2.gz XJHVMKJMXHQAMT-CVEARBPZSA-N 2 1 293.455 2.018 20 30 CEEDMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cc(C#N)cnc2Cl)C1 ZINC000877584695 650800588 /nfs/dbraw/zinc/80/05/88/650800588.db2.gz IOSXBGANPGMTTQ-LBPRGKRZSA-N 2 1 292.814 2.428 20 30 CEEDMP COc1ccc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cc1C#N ZINC000858246234 645097540 /nfs/dbraw/zinc/09/75/40/645097540.db2.gz YMMBLEQGALXLOE-OAHLLOKOSA-N 2 1 287.407 2.388 20 30 CEEDMP C#CC[C@H]1CC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000862446535 646463842 /nfs/dbraw/zinc/46/38/42/646463842.db2.gz ADNOPJDTANTMGY-AWEZNQCLSA-N 2 1 266.348 2.113 20 30 CEEDMP C#CC[C@H]1CC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000862446535 646463845 /nfs/dbraw/zinc/46/38/45/646463845.db2.gz ADNOPJDTANTMGY-AWEZNQCLSA-N 2 1 266.348 2.113 20 30 CEEDMP CN(C)c1ccc(C#N)cc1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000865411292 647281177 /nfs/dbraw/zinc/28/11/77/647281177.db2.gz AEKQWKUPTVHMAK-HNNXBMFYSA-N 2 1 298.434 2.198 20 30 CEEDMP C[C@@H]1C[C@H](C[N@@H+](C)CCc2cccc(C#N)c2)CC[NH2+]1 ZINC000873219018 649594726 /nfs/dbraw/zinc/59/47/26/649594726.db2.gz CRNPNHKVLOSFHH-RHSMWYFYSA-N 2 1 271.408 2.421 20 30 CEEDMP C=CC[C@H](C)[N@@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000880202845 651400750 /nfs/dbraw/zinc/40/07/50/651400750.db2.gz VPVYARFSDSGHKB-DZGCQCFKSA-N 2 1 252.402 2.184 20 30 CEEDMP C=CC[C@H](C)[N@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000880202845 651400751 /nfs/dbraw/zinc/40/07/51/651400751.db2.gz VPVYARFSDSGHKB-DZGCQCFKSA-N 2 1 252.402 2.184 20 30 CEEDMP C#CC[C@H](CO)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000883125092 652370316 /nfs/dbraw/zinc/37/03/16/652370316.db2.gz YOWSNWXXEYSIIA-RYQLBKOJSA-N 2 1 286.419 2.013 20 30 CEEDMP C#CC[C@H](CO)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000883125092 652370318 /nfs/dbraw/zinc/37/03/18/652370318.db2.gz YOWSNWXXEYSIIA-RYQLBKOJSA-N 2 1 286.419 2.013 20 30 CEEDMP C#CC[C@H](CO)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000883125783 652371024 /nfs/dbraw/zinc/37/10/24/652371024.db2.gz UMCXHLGRNAUEPG-ZWKOTPCHSA-N 2 1 298.430 2.157 20 30 CEEDMP C#CC[C@H](CO)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000883125783 652371026 /nfs/dbraw/zinc/37/10/26/652371026.db2.gz UMCXHLGRNAUEPG-ZWKOTPCHSA-N 2 1 298.430 2.157 20 30 CEEDMP C=C(C)CC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001270967570 805701134 /nfs/dbraw/zinc/70/11/34/805701134.db2.gz KAVDXOGZFLJKQZ-HRCADAONSA-N 2 1 295.471 2.119 20 30 CEEDMP C=C(C)CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001271311665 805911391 /nfs/dbraw/zinc/91/13/91/805911391.db2.gz QBTPMGAOQGTJQP-HZPDHXFCSA-N 2 1 295.471 2.025 20 30 CEEDMP C=C(C)CC[N@H+](C)CCN(C)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001272178095 806570483 /nfs/dbraw/zinc/57/04/83/806570483.db2.gz BJKQGZRZQJHVBW-HOTGVXAUSA-N 2 1 295.471 2.216 20 30 CEEDMP C=C(C)CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001266895917 802975904 /nfs/dbraw/zinc/97/59/04/802975904.db2.gz UWVMCGPROSAZTA-CVEARBPZSA-N 2 1 295.471 2.121 20 30 CEEDMP C=C(C)CC[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)C(C)C ZINC001267513682 803519812 /nfs/dbraw/zinc/51/98/12/803519812.db2.gz BNOZQLSWCRYBIA-MRXNPFEDSA-N 2 1 295.471 2.121 20 30 CEEDMP C=C(C)CC[NH+](CCCNC(=O)[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001267513682 803519817 /nfs/dbraw/zinc/51/98/17/803519817.db2.gz BNOZQLSWCRYBIA-MRXNPFEDSA-N 2 1 295.471 2.121 20 30 CEEDMP C=C(C)CC[NH+](CCCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(C)C ZINC001267513682 803519819 /nfs/dbraw/zinc/51/98/19/803519819.db2.gz BNOZQLSWCRYBIA-MRXNPFEDSA-N 2 1 295.471 2.121 20 30 CEEDMP C=CCC[C@H](C)[NH+]1CC(NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001267655598 803645562 /nfs/dbraw/zinc/64/55/62/803645562.db2.gz PDJFFFMIJSQKMI-AWEZNQCLSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CCC[C@@H](C)[NH+]1CC(NC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001267671745 803651059 /nfs/dbraw/zinc/65/10/59/803651059.db2.gz IXWUDTOOGUFLNH-GDBMZVCRSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CCC[C@@H](C)[NH+]1CC(NC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001267671745 803651062 /nfs/dbraw/zinc/65/10/62/803651062.db2.gz IXWUDTOOGUFLNH-GDBMZVCRSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CCCC[NH2+][C@H](CC)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001267817486 803752394 /nfs/dbraw/zinc/75/23/94/803752394.db2.gz LYKRCSOVLYGIHF-HRCADAONSA-N 2 1 295.471 2.167 20 30 CEEDMP C=CCCC[NH2+][C@@H](CC)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001267817487 803752765 /nfs/dbraw/zinc/75/27/65/803752765.db2.gz LYKRCSOVLYGIHF-JYJNAYRXSA-N 2 1 295.471 2.167 20 30 CEEDMP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001267943051 803833228 /nfs/dbraw/zinc/83/32/28/803833228.db2.gz XSFCNEFFHYPRGX-OAHLLOKOSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001267943051 803833239 /nfs/dbraw/zinc/83/32/39/803833239.db2.gz XSFCNEFFHYPRGX-OAHLLOKOSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001268103393 804441894 /nfs/dbraw/zinc/44/18/94/804441894.db2.gz BOEFTSZEWYNZAM-OWCLPIDISA-N 2 1 295.471 2.023 20 30 CEEDMP C=CCN1CC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC001038904849 804512552 /nfs/dbraw/zinc/51/25/52/804512552.db2.gz XXOHRHHQZSCEBR-JKSUJKDBSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)C[NH2+]CCCN(C)C(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001268876518 804993135 /nfs/dbraw/zinc/99/31/35/804993135.db2.gz JUSYKYOCOJMKCN-JKSUJKDBSA-N 2 1 293.455 2.018 20 30 CEEDMP N#CC[C@@H]1CCC[N@@H+](C2CC[NH+](CC3CC3)CC2)C1 ZINC001168390047 807053909 /nfs/dbraw/zinc/05/39/09/807053909.db2.gz FBCPZFAGLJOAHK-AWEZNQCLSA-N 2 1 261.413 2.486 20 30 CEEDMP N#CC[C@@H]1CCC[N@H+](C2CC[NH+](CC3CC3)CC2)C1 ZINC001168390047 807053916 /nfs/dbraw/zinc/05/39/16/807053916.db2.gz FBCPZFAGLJOAHK-AWEZNQCLSA-N 2 1 261.413 2.486 20 30 CEEDMP C=C(C)C[NH+]1CC[C@@H](N(CC)C(=O)CC[N@H+](C)CCC)C1 ZINC001269355048 805138825 /nfs/dbraw/zinc/13/88/25/805138825.db2.gz DGBRPJRRZJNNJL-MRXNPFEDSA-N 2 1 295.471 2.217 20 30 CEEDMP C=C(C)C[N@H+]1CC[C@@H](N(CC)C(=O)CC[NH+](C)CCC)C1 ZINC001269355048 805138828 /nfs/dbraw/zinc/13/88/28/805138828.db2.gz DGBRPJRRZJNNJL-MRXNPFEDSA-N 2 1 295.471 2.217 20 30 CEEDMP C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)CC[NH+](C)CCC)C1 ZINC001269355048 805138832 /nfs/dbraw/zinc/13/88/32/805138832.db2.gz DGBRPJRRZJNNJL-MRXNPFEDSA-N 2 1 295.471 2.217 20 30 CEEDMP N#Cc1ccc(F)c(C[NH+]2CCC(C[NH3+])CC2)c1F ZINC001205047456 809108080 /nfs/dbraw/zinc/10/80/80/809108080.db2.gz ULKWVEXKDAIAEB-UHFFFAOYSA-N 2 1 265.307 2.007 20 30 CEEDMP C[C@H](Cc1ccc(C#N)cc1)[N@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001172310495 815364551 /nfs/dbraw/zinc/36/45/51/815364551.db2.gz FXEILAZGVZXYAJ-ZTFGCOKTSA-N 2 1 283.419 2.373 20 30 CEEDMP CCCCCCC[NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001155822710 811143006 /nfs/dbraw/zinc/14/30/06/811143006.db2.gz YCKYUFZDCHZVIB-OAHLLOKOSA-N 2 1 283.460 2.147 20 30 CEEDMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cc(C#N)cs1)C2 ZINC001169123350 811391115 /nfs/dbraw/zinc/39/11/15/811391115.db2.gz JUGMZZNMVKBHNL-CLLJXQQHSA-N 2 1 261.394 2.335 20 30 CEEDMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cc(C#N)cs1)C2 ZINC001169123350 811391125 /nfs/dbraw/zinc/39/11/25/811391125.db2.gz JUGMZZNMVKBHNL-CLLJXQQHSA-N 2 1 261.394 2.335 20 30 CEEDMP C[C@H](CCCC#N)[NH2+][C@@H]1CC[N@H+](CC2CCOCC2)C1 ZINC001172489595 815450862 /nfs/dbraw/zinc/45/08/62/815450862.db2.gz WIKGLQCBNSLCSS-GDBMZVCRSA-N 2 1 279.428 2.159 20 30 CEEDMP C[C@H](CCCC#N)[NH2+][C@@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC001172489595 815450863 /nfs/dbraw/zinc/45/08/63/815450863.db2.gz WIKGLQCBNSLCSS-GDBMZVCRSA-N 2 1 279.428 2.159 20 30 CEEDMP C[C@H]1C[N@@H+](Cc2ccc(C#N)s2)CCC[C@H]1C[NH3+] ZINC001206012998 811575173 /nfs/dbraw/zinc/57/51/73/811575173.db2.gz OQTSSPLUNOWYFQ-RYUDHWBXSA-N 2 1 263.410 2.427 20 30 CEEDMP C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2O)CCC[C@@H]1C[NH3+] ZINC001206025027 811710319 /nfs/dbraw/zinc/71/03/19/811710319.db2.gz LYXNYTADCGKXQZ-TZMCWYRMSA-N 2 1 273.380 2.071 20 30 CEEDMP C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2O)CCC[C@@H]1C[NH3+] ZINC001206025027 811710322 /nfs/dbraw/zinc/71/03/22/811710322.db2.gz LYXNYTADCGKXQZ-TZMCWYRMSA-N 2 1 273.380 2.071 20 30 CEEDMP C=CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001052955873 812479058 /nfs/dbraw/zinc/47/90/58/812479058.db2.gz KTVIQPPVFDLNTI-CVEARBPZSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001052955873 812479060 /nfs/dbraw/zinc/47/90/60/812479060.db2.gz KTVIQPPVFDLNTI-CVEARBPZSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001052955873 812479064 /nfs/dbraw/zinc/47/90/64/812479064.db2.gz KTVIQPPVFDLNTI-CVEARBPZSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)CC[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001129430241 812494275 /nfs/dbraw/zinc/49/42/75/812494275.db2.gz PWCSJBUHBBOFBV-MRXNPFEDSA-N 2 1 293.455 2.065 20 30 CEEDMP C=CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001052428183 812991288 /nfs/dbraw/zinc/99/12/88/812991288.db2.gz FNIMEHVQRYYKGZ-HOTGVXAUSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC001052428183 812991294 /nfs/dbraw/zinc/99/12/94/812991294.db2.gz FNIMEHVQRYYKGZ-HOTGVXAUSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC001052428183 812991300 /nfs/dbraw/zinc/99/13/00/812991300.db2.gz FNIMEHVQRYYKGZ-HOTGVXAUSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCC[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001052498393 812998067 /nfs/dbraw/zinc/99/80/67/812998067.db2.gz HGSYRCJXKVLQFE-JKSUJKDBSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001052498393 812998075 /nfs/dbraw/zinc/99/80/75/812998075.db2.gz HGSYRCJXKVLQFE-JKSUJKDBSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001052498393 812998080 /nfs/dbraw/zinc/99/80/80/812998080.db2.gz HGSYRCJXKVLQFE-JKSUJKDBSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCC[C@H](C)[NH2+]CCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001133906443 813174682 /nfs/dbraw/zinc/17/46/82/813174682.db2.gz WAZGKQVYGLHQKZ-AWEZNQCLSA-N 2 1 283.460 2.025 20 30 CEEDMP C=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001170742956 813244032 /nfs/dbraw/zinc/24/40/32/813244032.db2.gz OZNOWZFXAYCGKD-CVEARBPZSA-N 2 1 295.471 2.310 20 30 CEEDMP C=C(C)CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001134612381 813297040 /nfs/dbraw/zinc/29/70/40/813297040.db2.gz LUNBZWBDPXHXDX-LSDHHAIUSA-N 2 1 295.471 2.310 20 30 CEEDMP C=C(C)CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001134612380 813297390 /nfs/dbraw/zinc/29/73/90/813297390.db2.gz LUNBZWBDPXHXDX-HUUCEWRRSA-N 2 1 295.471 2.310 20 30 CEEDMP CCCCCCC[C@H](CC)[NH2+]C[C@@H]1C[NH2+]CCN1 ZINC001246488531 813862976 /nfs/dbraw/zinc/86/29/76/813862976.db2.gz KJPUKSNAXJVYTN-GJZGRUSLSA-N 2 1 255.450 2.277 20 30 CEEDMP C=CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001171119374 813896818 /nfs/dbraw/zinc/89/68/18/813896818.db2.gz IVSMJNKFOJPGDE-JKSUJKDBSA-N 2 1 295.471 2.311 20 30 CEEDMP C=CC[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001178468056 816750098 /nfs/dbraw/zinc/75/00/98/816750098.db2.gz NOWPGTKAMRMONK-MRXNPFEDSA-N 2 1 295.471 2.311 20 30 CEEDMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC000337888435 214302995 /nfs/dbraw/zinc/30/29/95/214302995.db2.gz XQMXLTQBSHCYPN-GFCCVEGCSA-N 2 1 263.410 2.441 20 30 CEEDMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC000337888435 214302998 /nfs/dbraw/zinc/30/29/98/214302998.db2.gz XQMXLTQBSHCYPN-GFCCVEGCSA-N 2 1 263.410 2.441 20 30 CEEDMP CCNC(NC[C@@H](c1ccc(C)o1)[NH+]1CCCC1)=[NH+]CC ZINC000066246474 343709930 /nfs/dbraw/zinc/70/99/30/343709930.db2.gz BEDUXDUHUDVWCV-AWEZNQCLSA-N 2 1 292.427 2.300 20 30 CEEDMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)CC2(C#N)CCOCC2)C1 ZINC000602525050 347066314 /nfs/dbraw/zinc/06/63/14/347066314.db2.gz QCEPFMNLCPQKJN-CVEARBPZSA-N 2 1 293.455 2.407 20 30 CEEDMP C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000592182163 345334879 /nfs/dbraw/zinc/33/48/79/345334879.db2.gz KXVZKAFSDICTOC-HNNXBMFYSA-N 2 1 299.418 2.416 20 30 CEEDMP N#Cc1cccc(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)c1 ZINC000593322865 345466597 /nfs/dbraw/zinc/46/65/97/345466597.db2.gz PFPJHJYVMJQFHB-RCCFBDPRSA-N 2 1 299.418 2.419 20 30 CEEDMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CCc1ccc(C#N)cc1 ZINC000595891477 345908103 /nfs/dbraw/zinc/90/81/03/345908103.db2.gz IIPZUQBVUJMVGS-IOASZLSFSA-N 2 1 257.381 2.077 20 30 CEEDMP C[C@H]1CC[N@@H+](CCc2ccc(C#N)cc2)C[C@H]1C[NH3+] ZINC000595893519 345908803 /nfs/dbraw/zinc/90/88/03/345908803.db2.gz RXLJFEJPDNJOPO-XJKSGUPXSA-N 2 1 257.381 2.017 20 30 CEEDMP C[N@H+](Cc1ccc(C#N)cc1C(F)(F)F)C1CC([NH3+])C1 ZINC000595895445 345909502 /nfs/dbraw/zinc/90/95/02/345909502.db2.gz MSJRBNOXKCCALJ-UHFFFAOYSA-N 2 1 283.297 2.499 20 30 CEEDMP C[N@@H+](Cc1ccc(C#N)cc1C(F)(F)F)C1CC([NH3+])C1 ZINC000595895445 345909505 /nfs/dbraw/zinc/90/95/05/345909505.db2.gz MSJRBNOXKCCALJ-UHFFFAOYSA-N 2 1 283.297 2.499 20 30 CEEDMP CC(C)[NH+]1CCN(CCC[N@@H+](C)[C@H]2CCC[C@H]2C#N)CC1 ZINC000602981018 347264115 /nfs/dbraw/zinc/26/41/15/347264115.db2.gz YQSRXFBGXJMZOE-IRXDYDNUSA-N 2 1 292.471 2.027 20 30 CEEDMP C=CCC[C@H](O)C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000130204689 365932835 /nfs/dbraw/zinc/93/28/35/365932835.db2.gz ROJBSGSQYHCMLU-HOTGVXAUSA-N 2 1 266.429 2.264 20 30 CEEDMP C=CC[NH+]1CCC([NH2+]C[C@H](O)CCc2ccccc2)CC1 ZINC000573834263 334970140 /nfs/dbraw/zinc/97/01/40/334970140.db2.gz VTTLCAZHNMCBLP-GOSISDBHSA-N 2 1 288.435 2.220 20 30 CEEDMP N#CCOc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000106868639 186145136 /nfs/dbraw/zinc/14/51/36/186145136.db2.gz NEZZEANEGMZOII-JKSUJKDBSA-N 2 1 285.391 2.305 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](COC)C2CC2)CC1 ZINC000153058062 540120899 /nfs/dbraw/zinc/12/08/99/540120899.db2.gz GOBNGWSTQYMEMW-OAHLLOKOSA-N 2 1 252.402 2.042 20 30 CEEDMP COc1ccc(C[NH2+]CC(C)(C)C[NH+](C)C)cc1C#N ZINC000087822290 363870887 /nfs/dbraw/zinc/87/08/87/363870887.db2.gz OBQAERUYCOJATO-UHFFFAOYSA-N 2 1 275.396 2.244 20 30 CEEDMP CC[N@H+]1CC[C@H](N(C)Cc2ccc(C#N)cn2)C[C@@H]1C ZINC000584002436 367128626 /nfs/dbraw/zinc/12/86/26/367128626.db2.gz ZYRGBOTXCFUYGE-BBRMVZONSA-N 2 1 272.396 2.258 20 30 CEEDMP CC[N@H+]1CC[C@@H]([NH2+]CCc2cccc(C#N)c2)[C@@H](C)C1 ZINC000343618566 367919689 /nfs/dbraw/zinc/91/96/89/367919689.db2.gz TVSJUPURHVUKCT-WMLDXEAASA-N 2 1 271.408 2.421 20 30 CEEDMP C=CCOc1ccccc1C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000634998358 369029780 /nfs/dbraw/zinc/02/97/80/369029780.db2.gz DSBONPXMYDFDIB-UKRRQHHQSA-N 2 1 260.381 2.278 20 30 CEEDMP C=C(C)C[N@@H+](CC)CCCN1CC[NH+](C(C)C)CC1 ZINC000191407988 369709995 /nfs/dbraw/zinc/70/99/95/369709995.db2.gz MKUBCSMPRMBUKQ-UHFFFAOYSA-N 2 1 267.461 2.301 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](OC)C2CC2)CC1 ZINC000638524888 370590544 /nfs/dbraw/zinc/59/05/44/370590544.db2.gz UNXQJRLFXAHOQH-OAHLLOKOSA-N 2 1 252.402 2.042 20 30 CEEDMP C=CCC[C@H](O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000246912861 371030234 /nfs/dbraw/zinc/03/02/34/371030234.db2.gz RZSZVGMEQCRDBF-PVAVHDDUSA-N 2 1 278.440 2.262 20 30 CEEDMP C=CCC[C@H](O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000246912861 371030241 /nfs/dbraw/zinc/03/02/41/371030241.db2.gz RZSZVGMEQCRDBF-PVAVHDDUSA-N 2 1 278.440 2.262 20 30 CEEDMP C=CCC[C@H](O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000246912861 371030247 /nfs/dbraw/zinc/03/02/47/371030247.db2.gz RZSZVGMEQCRDBF-PVAVHDDUSA-N 2 1 278.440 2.262 20 30 CEEDMP COc1cc(C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)ccc1C#N ZINC000261646484 371690716 /nfs/dbraw/zinc/69/07/16/371690716.db2.gz OLJXFEXQFUOCTO-SWLSCSKDSA-N 2 1 273.380 2.126 20 30 CEEDMP COc1cc(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)ccc1C#N ZINC000261646484 371690718 /nfs/dbraw/zinc/69/07/18/371690718.db2.gz OLJXFEXQFUOCTO-SWLSCSKDSA-N 2 1 273.380 2.126 20 30 CEEDMP C[C@@H](CNC(=[NH2+])Nc1ccc2c(c1)CCC2)[N@@H+](C)C1CC1 ZINC000264236452 371988162 /nfs/dbraw/zinc/98/81/62/371988162.db2.gz DFTRFIUZTSNMBI-LBPRGKRZSA-N 2 1 286.423 2.385 20 30 CEEDMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C#N)c(OC)c2)[C@H](C)C1 ZINC000353627413 220201333 /nfs/dbraw/zinc/20/13/33/220201333.db2.gz WAFCDKHUOXEXPT-CJNGLKHVSA-N 2 1 287.407 2.387 20 30 CEEDMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C#N)c(OC)c2)[C@H](C)C1 ZINC000353627413 220201335 /nfs/dbraw/zinc/20/13/35/220201335.db2.gz WAFCDKHUOXEXPT-CJNGLKHVSA-N 2 1 287.407 2.387 20 30 CEEDMP C=C(C)[C@H](CO)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000684005241 541906497 /nfs/dbraw/zinc/90/64/97/541906497.db2.gz NUOHXXPEGNPTMB-INIZCTEOSA-N 2 1 289.423 2.336 20 30 CEEDMP COc1cc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)ccc1C#N ZINC000397295194 375340109 /nfs/dbraw/zinc/34/01/09/375340109.db2.gz ZIVLOJUVIAXTSG-ZENOOKHLSA-N 2 1 287.407 2.372 20 30 CEEDMP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)Cc1ccc(C#N)cc1F ZINC000290350288 376742597 /nfs/dbraw/zinc/74/25/97/376742597.db2.gz FZVFUSNKUPYLID-LRDDRELGSA-N 2 1 275.371 2.469 20 30 CEEDMP C=C(CC)C[N@@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000420976344 376754249 /nfs/dbraw/zinc/75/42/49/376754249.db2.gz GVPMGTPPVSRGAG-UHFFFAOYSA-N 2 1 279.472 2.445 20 30 CEEDMP C=CC[C@@H](Cc1ccccc1)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000564856319 377480480 /nfs/dbraw/zinc/48/04/80/377480480.db2.gz GHAZBPBEUCUMJJ-WMZOPIPTSA-N 2 1 288.435 2.219 20 30 CEEDMP C=CC[C@@H](Cc1ccccc1)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000564856319 377480488 /nfs/dbraw/zinc/48/04/88/377480488.db2.gz GHAZBPBEUCUMJJ-WMZOPIPTSA-N 2 1 288.435 2.219 20 30 CEEDMP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000436299348 377822265 /nfs/dbraw/zinc/82/22/65/377822265.db2.gz JRLXFUOKHMUWQM-FPCVCCKLSA-N 2 1 266.429 2.288 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000295075288 378040410 /nfs/dbraw/zinc/04/04/10/378040410.db2.gz SLBUYMJNQSLGNK-MRXNPFEDSA-N 2 1 272.392 2.314 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000295075288 378040412 /nfs/dbraw/zinc/04/04/12/378040412.db2.gz SLBUYMJNQSLGNK-MRXNPFEDSA-N 2 1 272.392 2.314 20 30 CEEDMP Cc1ccc([C@@H](C[NH+]=C(N(C)C)N(C)C)[NH+](C)C)cc1 ZINC000262009351 394611381 /nfs/dbraw/zinc/61/13/81/394611381.db2.gz SQANFEWINPOHQH-OAHLLOKOSA-N 2 1 276.428 2.077 20 30 CEEDMP C#CCCCC[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000362031683 394842768 /nfs/dbraw/zinc/84/27/68/394842768.db2.gz DFEGNIGSOIHIAG-BRWVUGGUSA-N 2 1 278.440 2.269 20 30 CEEDMP C=CCOc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cc1 ZINC000346995588 395115858 /nfs/dbraw/zinc/11/58/58/395115858.db2.gz BNHVDBVMUOHXPY-BBRMVZONSA-N 2 1 260.381 2.421 20 30 CEEDMP C=CCOc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cc1 ZINC000346995597 395116399 /nfs/dbraw/zinc/11/63/99/395116399.db2.gz BNHVDBVMUOHXPY-XJKSGUPXSA-N 2 1 260.381 2.421 20 30 CEEDMP C=CCOc1cccc(C[N@H+]2CC[C@H](C[NH2+]C)C2)c1 ZINC000347013358 395117791 /nfs/dbraw/zinc/11/77/91/395117791.db2.gz IAEDEEMSMSMSET-OAHLLOKOSA-N 2 1 260.381 2.293 20 30 CEEDMP C=CCOc1cccc(C[N@@H+]2CC[C@H](C[NH2+]C)C2)c1 ZINC000347013358 395117795 /nfs/dbraw/zinc/11/77/95/395117795.db2.gz IAEDEEMSMSMSET-OAHLLOKOSA-N 2 1 260.381 2.293 20 30 CEEDMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(C#N)c(C)c2)C1 ZINC000443968542 395407935 /nfs/dbraw/zinc/40/79/35/395407935.db2.gz FHQDAQVADMZXRX-HNNXBMFYSA-N 2 1 257.381 2.298 20 30 CEEDMP C=CC[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)C(C)(C)C ZINC000661754666 415445234 /nfs/dbraw/zinc/44/52/34/415445234.db2.gz ADJSODGTUUBXEV-UHFFFAOYSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CC[C@@]1(C(=O)NCC[N@@H+]2CCCC[C@@H]2CC)CCC[NH2+]1 ZINC000662735368 415948440 /nfs/dbraw/zinc/94/84/40/415948440.db2.gz NBTYQYRKVFEHJF-RDJZCZTQSA-N 2 1 293.455 2.065 20 30 CEEDMP Cc1cccc(NCCNC(=O)[C@H]2CCC[N@@H+]2C2CC2)[nH+]1 ZINC000330230394 228073686 /nfs/dbraw/zinc/07/36/86/228073686.db2.gz QODAJKRPBCWRRF-CQSZACIVSA-N 2 1 288.395 2.385 20 30 CEEDMP Cc1cccc(NCCNC(=O)[C@H]2CCC[N@H+]2C2CC2)[nH+]1 ZINC000330230394 228073689 /nfs/dbraw/zinc/07/36/89/228073689.db2.gz QODAJKRPBCWRRF-CQSZACIVSA-N 2 1 288.395 2.385 20 30 CEEDMP C[N@@H+](CCNC(=[NH2+])Nc1ccccc1)C1CCCC1 ZINC000071379499 260162422 /nfs/dbraw/zinc/16/24/22/260162422.db2.gz IRXQAGDCSCLQKU-UHFFFAOYSA-N 2 1 260.385 2.288 20 30 CEEDMP [NH2+]=C(NC[C@H]1CCCC[N@H+]1C1CC1)Nc1ccccc1 ZINC000277532190 263041624 /nfs/dbraw/zinc/04/16/24/263041624.db2.gz OZOQEDYJVSMRIG-OAHLLOKOSA-N 2 1 272.396 2.430 20 30 CEEDMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCC[C@@H]3O[C@@H](CC#N)C[C@@H]32)CC1 ZINC000366691513 263132497 /nfs/dbraw/zinc/13/24/97/263132497.db2.gz BSBROURUULZYLB-HZMVEIRTSA-N 2 1 289.423 2.078 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCCc2nc(C)sc21 ZINC000295047420 275380896 /nfs/dbraw/zinc/38/08/96/275380896.db2.gz PZILTIJCYOAHCV-ZDUSSCGKSA-N 2 1 277.437 2.374 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCCc2nc(C)sc21 ZINC000295047420 275380897 /nfs/dbraw/zinc/38/08/97/275380897.db2.gz PZILTIJCYOAHCV-ZDUSSCGKSA-N 2 1 277.437 2.374 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)[C@H]2CCOC2)CC1 ZINC000152960258 327305659 /nfs/dbraw/zinc/30/56/59/327305659.db2.gz YJTILOJIZLBWDG-KGLIPLIRSA-N 2 1 252.402 2.042 20 30 CEEDMP C=CCNC(=[NH2+])NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000262678255 330026287 /nfs/dbraw/zinc/02/62/87/330026287.db2.gz RYRUOUYOLKICTK-JSGCOSHPSA-N 2 1 292.452 2.221 20 30 CEEDMP C[C@@H]1C[NH+]=C(NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)N1 ZINC000262682517 330026757 /nfs/dbraw/zinc/02/67/57/330026757.db2.gz WWAIJJBAJOCXLB-BZPMIXESSA-N 2 1 292.452 2.068 20 30 CEEDMP C=CCCOCC[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000423008848 330164986 /nfs/dbraw/zinc/16/49/86/330164986.db2.gz BHGWHYCVALTULP-GOEBONIOSA-N 2 1 262.397 2.127 20 30 CEEDMP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000424294063 330335569 /nfs/dbraw/zinc/33/55/69/330335569.db2.gz JTCKSUWOTXGSFR-OTJKEOIZSA-N 2 1 264.413 2.040 20 30 CEEDMP C=C(CC)C[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000536891870 330363481 /nfs/dbraw/zinc/36/34/81/330363481.db2.gz ZSBNBBSUVDMMAW-MRXNPFEDSA-N 2 1 265.445 2.053 20 30 CEEDMP C#CC[N@@H+](C)CCCNC(=[NH2+])Nc1ccc2c(c1)CCC2 ZINC000491709639 332301709 /nfs/dbraw/zinc/30/17/09/332301709.db2.gz QXTVXLMFXKTQLD-UHFFFAOYSA-N 2 1 284.407 2.067 20 30 CEEDMP C=CCc1cc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cc(OC)c1O ZINC000347044468 527238686 /nfs/dbraw/zinc/23/86/86/527238686.db2.gz NDLRSWUCVASPMS-WFASDCNBSA-N 2 1 290.407 2.298 20 30 CEEDMP C=CCc1cc(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cc(OC)c1O ZINC000347044468 527238689 /nfs/dbraw/zinc/23/86/89/527238689.db2.gz NDLRSWUCVASPMS-WFASDCNBSA-N 2 1 290.407 2.298 20 30 CEEDMP C#CCOCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000753760318 575339911 /nfs/dbraw/zinc/33/99/11/575339911.db2.gz IUGXACNGJZOMPB-SJLPKXTDSA-N 2 1 286.419 2.136 20 30 CEEDMP C#CCOCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000753760318 575339913 /nfs/dbraw/zinc/33/99/13/575339913.db2.gz IUGXACNGJZOMPB-SJLPKXTDSA-N 2 1 286.419 2.136 20 30 CEEDMP C[C@@H](CC(C)(C)C#N)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000926286645 624079370 /nfs/dbraw/zinc/07/93/70/624079370.db2.gz IVJXOBJSWKZONN-LSDHHAIUSA-N 2 1 281.444 2.405 20 30 CEEDMP C[C@@H](CC(C)(C)C#N)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000926286645 624079378 /nfs/dbraw/zinc/07/93/78/624079378.db2.gz IVJXOBJSWKZONN-LSDHHAIUSA-N 2 1 281.444 2.405 20 30 CEEDMP C=CC[C@H]1CC[NH+]1CC1(C[N@@H+]2CC[C@@H]2CC=C)COC1 ZINC000934462678 624510523 /nfs/dbraw/zinc/51/05/23/624510523.db2.gz ZZKNHYQPZZQXKL-HOTGVXAUSA-N 2 1 276.424 2.304 20 30 CEEDMP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001022808212 624631871 /nfs/dbraw/zinc/63/18/71/624631871.db2.gz QZIOWQNCCPIUHA-OWCLPIDISA-N 2 1 293.455 2.062 20 30 CEEDMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cccc(C#N)c2)C1 ZINC000067222789 629174957 /nfs/dbraw/zinc/17/49/57/629174957.db2.gz OODSJKJLLMEWJQ-MRXNPFEDSA-N 2 1 257.381 2.380 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CS[C@H](C(C)(C)C)C1 ZINC000894863314 629701127 /nfs/dbraw/zinc/70/11/27/629701127.db2.gz XQXSATCTFPDGBM-KGLIPLIRSA-N 2 1 268.470 2.451 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CS[C@H](C(C)(C)C)C1 ZINC000894863314 629701131 /nfs/dbraw/zinc/70/11/31/629701131.db2.gz XQXSATCTFPDGBM-KGLIPLIRSA-N 2 1 268.470 2.451 20 30 CEEDMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(C#N)cn1 ZINC000817931107 633785526 /nfs/dbraw/zinc/78/55/26/633785526.db2.gz JACDERZHRLYNHW-HIFRSBDPSA-N 2 1 272.396 2.354 20 30 CEEDMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1cc(C#N)ccn1 ZINC000903017959 634927014 /nfs/dbraw/zinc/92/70/14/634927014.db2.gz ULVXJMVDVHILTQ-UONOGXRCSA-N 2 1 272.396 2.336 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)[C@H]1COc2ccccc2C1 ZINC000903001679 634933214 /nfs/dbraw/zinc/93/32/14/634933214.db2.gz XDCHUIFZHFDRIU-NVXWUHKLSA-N 2 1 286.419 2.171 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)[C@H]1COc2ccccc2C1 ZINC000903001679 634933217 /nfs/dbraw/zinc/93/32/17/634933217.db2.gz XDCHUIFZHFDRIU-NVXWUHKLSA-N 2 1 286.419 2.171 20 30 CEEDMP CCCn1cc[nH+]c1CCC[N@H+](C)CCO[C@H](C)C#N ZINC000801948947 634981459 /nfs/dbraw/zinc/98/14/59/634981459.db2.gz AATMDTXZHGKPBM-CQSZACIVSA-N 2 1 278.400 2.086 20 30 CEEDMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCO[C@H](C)C#N ZINC000801948947 634981461 /nfs/dbraw/zinc/98/14/61/634981461.db2.gz AATMDTXZHGKPBM-CQSZACIVSA-N 2 1 278.400 2.086 20 30 CEEDMP Cc1cc(C#N)cc(C)c1C[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000903464656 635138240 /nfs/dbraw/zinc/13/82/40/635138240.db2.gz VIAUBOYGNAPWBK-NVXWUHKLSA-N 2 1 269.392 2.488 20 30 CEEDMP Cc1cc(C#N)cc(C)c1C[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000903464656 635138243 /nfs/dbraw/zinc/13/82/43/635138243.db2.gz VIAUBOYGNAPWBK-NVXWUHKLSA-N 2 1 269.392 2.488 20 30 CEEDMP CC(C)(C[NH3+])C1CC[NH+](Cc2ccncc2C#N)CC1 ZINC000903791474 635263825 /nfs/dbraw/zinc/26/38/25/635263825.db2.gz YODCTOOQOLZVPG-UHFFFAOYSA-N 2 1 272.396 2.150 20 30 CEEDMP C=CCC[C@@H](C)[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903975286 635393497 /nfs/dbraw/zinc/39/34/97/635393497.db2.gz ZGLOESJFUWMDHA-KGLIPLIRSA-N 2 1 252.402 2.089 20 30 CEEDMP C[C@@H]1C[C@@H](C[N@@H+](C)Cc2cc(C#N)cs2)CC[NH2+]1 ZINC000904469184 635647051 /nfs/dbraw/zinc/64/70/51/635647051.db2.gz JHZKGZIGAZNKKE-NEPJUHHUSA-N 2 1 263.410 2.440 20 30 CEEDMP C#CCCCCCC[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000876715358 650408793 /nfs/dbraw/zinc/40/87/93/650408793.db2.gz MQCWZEQHWWRFDY-SFHVURJKSA-N 2 1 291.483 2.282 20 30 CEEDMP CCCC[NH+]=C(NC[C@H]1CCC[N@H+]1C)NC(C)(C)C ZINC000912496709 638702291 /nfs/dbraw/zinc/70/22/91/638702291.db2.gz DBHHVGCOZDDKET-CYBMUJFWSA-N 2 1 268.449 2.214 20 30 CEEDMP CCC[N@H+]1CC[C@H](CNC(NC(C)(C)C)=[NH+]C(C)C)C1 ZINC000912509339 638714121 /nfs/dbraw/zinc/71/41/21/638714121.db2.gz COUCVZOWRUIPKB-CQSZACIVSA-N 2 1 282.476 2.460 20 30 CEEDMP C=CC[C@@H]1CC[C@H]([NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000845935141 641132602 /nfs/dbraw/zinc/13/26/02/641132602.db2.gz LDJDXCNBGMPPQQ-QXSJWSMHSA-N 2 1 264.413 2.184 20 30 CEEDMP C=CC[C@@H]1CC[C@H]([NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000845935141 641132609 /nfs/dbraw/zinc/13/26/09/641132609.db2.gz LDJDXCNBGMPPQQ-QXSJWSMHSA-N 2 1 264.413 2.184 20 30 CEEDMP C#C[C@H]1CCC[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000848923477 642195333 /nfs/dbraw/zinc/19/53/33/642195333.db2.gz LPZVKEAQZIDINK-INIZCTEOSA-N 2 1 286.419 2.472 20 30 CEEDMP C[NH+]=C(NCc1ccco1)NC[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000848987036 642209568 /nfs/dbraw/zinc/20/95/68/642209568.db2.gz GXZQROIOQQGWFK-KBPBESRZSA-N 2 1 292.427 2.208 20 30 CEEDMP C=CC[NH2+]C1CC(N(C)C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC000998899122 642447111 /nfs/dbraw/zinc/44/71/11/642447111.db2.gz AVCXFLCECVSLIS-PCKAHOCUSA-N 2 1 293.455 2.014 20 30 CEEDMP C=C(C)CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001003627841 642962808 /nfs/dbraw/zinc/96/28/08/642962808.db2.gz IXOAHCMFHGSSPE-HNNXBMFYSA-N 2 1 293.455 2.018 20 30 CEEDMP C[NH+]1CCC2(CC1)CC[NH+](Cc1nc(C#N)cs1)CC2 ZINC000877684728 650850034 /nfs/dbraw/zinc/85/00/34/650850034.db2.gz UYHILDLTBCZART-UHFFFAOYSA-N 2 1 290.436 2.323 20 30 CEEDMP C=CC[N@@H+](Cc1ccccc1F)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923309400 643657510 /nfs/dbraw/zinc/65/75/10/643657510.db2.gz LIPVFDJQAOCPLR-OAHLLOKOSA-N 2 1 290.382 2.192 20 30 CEEDMP C=CC[N@H+](Cc1ccccc1F)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923309400 643657513 /nfs/dbraw/zinc/65/75/13/643657513.db2.gz LIPVFDJQAOCPLR-OAHLLOKOSA-N 2 1 290.382 2.192 20 30 CEEDMP C=CCC[C@H](O)C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000923358800 643677144 /nfs/dbraw/zinc/67/71/44/643677144.db2.gz KOHQZIISLSAEJX-XHSDSOJGSA-N 2 1 266.429 2.025 20 30 CEEDMP C#Cc1ccc(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)cc1 ZINC000858246198 645097884 /nfs/dbraw/zinc/09/78/84/645097884.db2.gz XLZKWVVMPQNHNH-QGZVFWFLSA-N 2 1 256.393 2.489 20 30 CEEDMP C#CCCC[NH2+][C@H]1CC[N@H+](CCCOCC)C[C@H]1C ZINC000766223581 645860226 /nfs/dbraw/zinc/86/02/26/645860226.db2.gz RJVAOXLXKPNVAT-CVEARBPZSA-N 2 1 266.429 2.126 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2cc[nH]c(=O)c2)CC1 ZINC000791135374 648483541 /nfs/dbraw/zinc/48/35/41/648483541.db2.gz IEQTZLOMSAKECA-CYBMUJFWSA-N 2 1 275.396 2.478 20 30 CEEDMP C#C[C@H]1CC[C@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000872139790 649289764 /nfs/dbraw/zinc/28/97/64/649289764.db2.gz QBMFGWVAKYAQJT-BQFCYCMXSA-N 2 1 290.451 2.411 20 30 CEEDMP C[C@@H](CCC#N)[N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880258874 651411059 /nfs/dbraw/zinc/41/10/59/651411059.db2.gz DLZFTWTZMVYKIY-UONOGXRCSA-N 2 1 258.369 2.284 20 30 CEEDMP C[C@@H](CCC#N)[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880258874 651411060 /nfs/dbraw/zinc/41/10/60/651411060.db2.gz DLZFTWTZMVYKIY-UONOGXRCSA-N 2 1 258.369 2.284 20 30 CEEDMP C#CC[C@@H](CO)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000883125782 652370658 /nfs/dbraw/zinc/37/06/58/652370658.db2.gz UMCXHLGRNAUEPG-ROUUACIJSA-N 2 1 298.430 2.157 20 30 CEEDMP C#CC[C@@H](CO)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000883125782 652370660 /nfs/dbraw/zinc/37/06/60/652370660.db2.gz UMCXHLGRNAUEPG-ROUUACIJSA-N 2 1 298.430 2.157 20 30 CEEDMP C=CCC[C@H]([NH2+]C1CC[NH+](CCOC)CC1)[C@@H]1CCCO1 ZINC000883178269 652390553 /nfs/dbraw/zinc/39/05/53/652390553.db2.gz SQWSWJAQTPRUAD-IRXDYDNUSA-N 2 1 296.455 2.201 20 30 CEEDMP C=CCC[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)[C@H]1CCCO1 ZINC000883188016 652393827 /nfs/dbraw/zinc/39/38/27/652393827.db2.gz BFBHCIYWWQDQJB-OWCLPIDISA-N 2 1 266.429 2.432 20 30 CEEDMP C=C(C)CC[NH2+]C1CCN(C(=O)CC[N@H+](C)CCC)CC1 ZINC001203442993 805822559 /nfs/dbraw/zinc/82/25/59/805822559.db2.gz OXDQSGFQCKFCJJ-UHFFFAOYSA-N 2 1 295.471 2.265 20 30 CEEDMP C=C(C)C[NH2+]CC[C@@H]1CCCCN1C(=O)CC[N@H+](C)CC ZINC001271601079 805999064 /nfs/dbraw/zinc/99/90/64/805999064.db2.gz VQISPIFJVGMEIZ-INIZCTEOSA-N 2 1 295.471 2.265 20 30 CEEDMP C=CC[NH2+][C@H]1CCCCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001088327305 806119593 /nfs/dbraw/zinc/11/95/93/806119593.db2.gz KDDIBBZZYHYFMT-HNNXBMFYSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001028181242 804518976 /nfs/dbraw/zinc/51/89/76/804518976.db2.gz PHKPAMVCTAJANH-HZPDHXFCSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001028181242 804518980 /nfs/dbraw/zinc/51/89/80/804518980.db2.gz PHKPAMVCTAJANH-HZPDHXFCSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001028181242 804518987 /nfs/dbraw/zinc/51/89/87/804518987.db2.gz PHKPAMVCTAJANH-HZPDHXFCSA-N 2 1 293.455 2.016 20 30 CEEDMP N#Cc1nccc2cc(NC(=[NH2+])SCC[NH3+])ccc12 ZINC001167915647 804716376 /nfs/dbraw/zinc/71/63/76/804716376.db2.gz JGWKDZCOSZYNLB-UHFFFAOYSA-N 2 1 271.349 2.145 20 30 CEEDMP C=C(C)C[N@@H+](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001268749074 804958955 /nfs/dbraw/zinc/95/89/55/804958955.db2.gz QNBBANIBZZXDJU-CQSZACIVSA-N 2 1 292.427 2.019 20 30 CEEDMP C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001268749074 804958958 /nfs/dbraw/zinc/95/89/58/804958958.db2.gz QNBBANIBZZXDJU-CQSZACIVSA-N 2 1 292.427 2.019 20 30 CEEDMP C=C(C)CC[NH+]1CC(NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001031044849 807617393 /nfs/dbraw/zinc/61/73/93/807617393.db2.gz FTXORXGYCBAGSG-OAHLLOKOSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)C[NH+]1CCCC[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001034400287 809599918 /nfs/dbraw/zinc/59/99/18/809599918.db2.gz XIAYXQHAJYCQLR-HZPDHXFCSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001034400287 809599924 /nfs/dbraw/zinc/59/99/24/809599924.db2.gz XIAYXQHAJYCQLR-HZPDHXFCSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)C[N@@H+]1CCCC[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001034400287 809599929 /nfs/dbraw/zinc/59/99/29/809599929.db2.gz XIAYXQHAJYCQLR-HZPDHXFCSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001015791097 810354937 /nfs/dbraw/zinc/35/49/37/810354937.db2.gz ADVQSPZRBBTUDT-CVEARBPZSA-N 2 1 293.455 2.016 20 30 CEEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001015791097 810354943 /nfs/dbraw/zinc/35/49/43/810354943.db2.gz ADVQSPZRBBTUDT-CVEARBPZSA-N 2 1 293.455 2.016 20 30 CEEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001015791097 810354948 /nfs/dbraw/zinc/35/49/48/810354948.db2.gz ADVQSPZRBBTUDT-CVEARBPZSA-N 2 1 293.455 2.016 20 30 CEEDMP C[C@H](Cc1ccc(C#N)cc1)[NH2+]C1CC[NH+](C)CC1 ZINC001172290783 815382759 /nfs/dbraw/zinc/38/27/59/815382759.db2.gz FWDJTZUGDDRNQB-CYBMUJFWSA-N 2 1 257.381 2.173 20 30 CEEDMP C=C(C)C[NH+]1CC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001038781708 810912473 /nfs/dbraw/zinc/91/24/73/810912473.db2.gz PXNLZTSOLOGWQD-HZPDHXFCSA-N 2 1 293.455 2.016 20 30 CEEDMP C=C(C)C[NH+]1CC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001038781708 810912479 /nfs/dbraw/zinc/91/24/79/810912479.db2.gz PXNLZTSOLOGWQD-HZPDHXFCSA-N 2 1 293.455 2.016 20 30 CEEDMP C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001038781708 810912482 /nfs/dbraw/zinc/91/24/82/810912482.db2.gz PXNLZTSOLOGWQD-HZPDHXFCSA-N 2 1 293.455 2.016 20 30 CEEDMP C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001038781708 810912487 /nfs/dbraw/zinc/91/24/87/810912487.db2.gz PXNLZTSOLOGWQD-HZPDHXFCSA-N 2 1 293.455 2.016 20 30 CEEDMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)C2 ZINC001169101338 811373796 /nfs/dbraw/zinc/37/37/96/811373796.db2.gz RGFOKEQHHVFQCX-QDMKHBRRSA-N 2 1 273.355 2.412 20 30 CEEDMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)C2 ZINC001169101338 811373806 /nfs/dbraw/zinc/37/38/06/811373806.db2.gz RGFOKEQHHVFQCX-QDMKHBRRSA-N 2 1 273.355 2.412 20 30 CEEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)C2 ZINC001109464007 811895128 /nfs/dbraw/zinc/89/51/28/811895128.db2.gz HQODLAVSNXGCRD-ILXRZTDVSA-N 2 1 293.455 2.014 20 30 CEEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+](C)CC)C2 ZINC001109464007 811895138 /nfs/dbraw/zinc/89/51/38/811895138.db2.gz HQODLAVSNXGCRD-ILXRZTDVSA-N 2 1 293.455 2.014 20 30 CEEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+](C)CC)C2 ZINC001109464007 811895147 /nfs/dbraw/zinc/89/51/47/811895147.db2.gz HQODLAVSNXGCRD-ILXRZTDVSA-N 2 1 293.455 2.014 20 30 CEEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001110002760 811981755 /nfs/dbraw/zinc/98/17/55/811981755.db2.gz SWNPYGJWCMCYFS-PMPSAXMXSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CC[N@@H+]1C[C@H](NC(=O)CCC[NH+]2CCCC2)CC[C@H]1C ZINC001132508033 812872687 /nfs/dbraw/zinc/87/26/87/812872687.db2.gz BPKFLUHAGVGVPY-HZPDHXFCSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CC[NH2+][C@H](C)C[C@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC001135678166 813499665 /nfs/dbraw/zinc/49/96/65/813499665.db2.gz CLMGSOCZQMANKP-KGLIPLIRSA-N 2 1 292.427 2.031 20 30 CEEDMP C#CCOc1ccc(C[NH+]2C[C@H]3C[NH+](CC)C[C@@H]3C2)cc1 ZINC001138560627 815829513 /nfs/dbraw/zinc/82/95/13/815829513.db2.gz DGFUXYFQTGKPCT-IAGOWNOFSA-N 2 1 284.403 2.082 20 30 CEEDMP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001176592107 816437978 /nfs/dbraw/zinc/43/79/78/816437978.db2.gz VUCNOSODLKLRJU-CQSZACIVSA-N 2 1 292.427 2.032 20 30 CEEDMP C=CCn1cc(C[N@@H+]2CCC[C@](C)(C[NH3+])CC2)cn1 ZINC001206311862 816662123 /nfs/dbraw/zinc/66/21/23/816662123.db2.gz WDOAHNBGXIIYFB-HNNXBMFYSA-N 2 1 262.401 2.020 20 30 CEEDMP C[NH+](C)CCCC1CC[NH+](C[C@@H](C#N)CCC#N)CC1 ZINC000123538133 365638625 /nfs/dbraw/zinc/63/86/25/365638625.db2.gz CMTPRPBLEHOVHG-MRXNPFEDSA-N 2 1 276.428 2.484 20 30 CEEDMP C[C@H](CCC#N)C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000602486721 347055834 /nfs/dbraw/zinc/05/58/34/347055834.db2.gz OYSSRKVKQLFDIL-FXUDXRNXSA-N 2 1 279.428 2.110 20 30 CEEDMP CCC[N@H+](CC)CC[NH2+][C@H](C)CC1(C#N)CCOCC1 ZINC000602565561 347080432 /nfs/dbraw/zinc/08/04/32/347080432.db2.gz SKONUJHRVKEZEE-OAHLLOKOSA-N 2 1 281.444 2.407 20 30 CEEDMP CCC[N@@H+](CC)CC[NH2+][C@H](C)CC1(C#N)CCOCC1 ZINC000602565561 347080435 /nfs/dbraw/zinc/08/04/35/347080435.db2.gz SKONUJHRVKEZEE-OAHLLOKOSA-N 2 1 281.444 2.407 20 30 CEEDMP C[NH+]1CCC2(CC1)C[N@@H+](CC(C)(C)CCC#N)CCO2 ZINC000592529417 345368323 /nfs/dbraw/zinc/36/83/23/345368323.db2.gz YSUXNHIRLPMCFV-UHFFFAOYSA-N 2 1 279.428 2.113 20 30 CEEDMP N#C[C@@H]1CC[C@H]([NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)C1 ZINC000595073184 345739348 /nfs/dbraw/zinc/73/93/48/345739348.db2.gz SXMODRFFERNGTB-SQNIBIBYSA-N 2 1 299.418 2.035 20 30 CEEDMP Cc1cc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)ccc1C#N ZINC000594992747 345722558 /nfs/dbraw/zinc/72/25/58/345722558.db2.gz KBACJGKCCFRUCV-GOSISDBHSA-N 2 1 299.418 2.210 20 30 CEEDMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CCc2ccc(C#N)cc2)C1 ZINC000595889638 345906913 /nfs/dbraw/zinc/90/69/13/345906913.db2.gz AQWYQRFXEHZOIQ-BBRMVZONSA-N 2 1 257.381 2.160 20 30 CEEDMP N#C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)C1 ZINC000596097539 345939216 /nfs/dbraw/zinc/93/92/16/345939216.db2.gz YUKPFOAOKBETHQ-PMPSAXMXSA-N 2 1 261.413 2.390 20 30 CEEDMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC000063917484 362777910 /nfs/dbraw/zinc/77/79/10/362777910.db2.gz JKFYIKIOEYODMO-INIZCTEOSA-N 2 1 257.381 2.380 20 30 CEEDMP CC[N@H+](C)C[C@@H]1CC[NH+](CCOc2ccc(C#N)cc2)C1 ZINC000072860227 363172094 /nfs/dbraw/zinc/17/20/94/363172094.db2.gz JQBMEXMTBUHEHA-INIZCTEOSA-N 2 1 287.407 2.211 20 30 CEEDMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCOc2ccc(C#N)cc2)C1 ZINC000072860227 363172097 /nfs/dbraw/zinc/17/20/97/363172097.db2.gz JQBMEXMTBUHEHA-INIZCTEOSA-N 2 1 287.407 2.211 20 30 CEEDMP CC[NH+](C)C[C@@H]1CC[N@H+](CCOc2ccc(C#N)cc2)C1 ZINC000072860227 363172104 /nfs/dbraw/zinc/17/21/04/363172104.db2.gz JQBMEXMTBUHEHA-INIZCTEOSA-N 2 1 287.407 2.211 20 30 CEEDMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCOc2ccc(C#N)cc2)C1 ZINC000072860227 363172113 /nfs/dbraw/zinc/17/21/13/363172113.db2.gz JQBMEXMTBUHEHA-INIZCTEOSA-N 2 1 287.407 2.211 20 30 CEEDMP COc1ccc(C[NH2+]C[C@@H](C)C[NH+]2CCCC2)cc1C#N ZINC000087824250 363871062 /nfs/dbraw/zinc/87/10/62/363871062.db2.gz QLVYOWZRCQJKPM-CQSZACIVSA-N 2 1 287.407 2.388 20 30 CEEDMP C#CCOc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CC)C2)cc1 ZINC000093770416 364225272 /nfs/dbraw/zinc/22/52/72/364225272.db2.gz SWIPAQJCHJAFSI-QGZVFWFLSA-N 2 1 286.419 2.472 20 30 CEEDMP C#CCOc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CC)C2)cc1 ZINC000093770416 364225274 /nfs/dbraw/zinc/22/52/74/364225274.db2.gz SWIPAQJCHJAFSI-QGZVFWFLSA-N 2 1 286.419 2.472 20 30 CEEDMP C#CCOc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CC)C2)cc1 ZINC000093770416 364225275 /nfs/dbraw/zinc/22/52/75/364225275.db2.gz SWIPAQJCHJAFSI-QGZVFWFLSA-N 2 1 286.419 2.472 20 30 CEEDMP C#CCOc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CC)C2)cc1 ZINC000093770416 364225277 /nfs/dbraw/zinc/22/52/77/364225277.db2.gz SWIPAQJCHJAFSI-QGZVFWFLSA-N 2 1 286.419 2.472 20 30 CEEDMP CC#CCC[NH+]1CCC(CCC[N@H+](C)CCOC)CC1 ZINC000157578833 366845466 /nfs/dbraw/zinc/84/54/66/366845466.db2.gz HGBOJOKPXHEFNB-UHFFFAOYSA-N 2 1 280.456 2.470 20 30 CEEDMP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1C#N ZINC000335878082 365104371 /nfs/dbraw/zinc/10/43/71/365104371.db2.gz QDGPSMOOAKASHR-XJKSGUPXSA-N 2 1 257.381 2.439 20 30 CEEDMP C=CCOc1cccc(C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)c1 ZINC000346690732 368773096 /nfs/dbraw/zinc/77/30/96/368773096.db2.gz UQUBAHPXYQPMSJ-HIFRSBDPSA-N 2 1 260.381 2.421 20 30 CEEDMP C=CCCC[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634712970 368835215 /nfs/dbraw/zinc/83/52/15/368835215.db2.gz OYZPVYYNTIOPCR-KRWDZBQOSA-N 2 1 274.408 2.179 20 30 CEEDMP C=CCCC[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634712970 368835218 /nfs/dbraw/zinc/83/52/18/368835218.db2.gz OYZPVYYNTIOPCR-KRWDZBQOSA-N 2 1 274.408 2.179 20 30 CEEDMP C=CCOCCC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000348047909 368874143 /nfs/dbraw/zinc/87/41/43/368874143.db2.gz GJENGOCLWHCFIS-MRXNPFEDSA-N 2 1 266.429 2.387 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCOC[C@@H]2C)CC1 ZINC000192539527 369826580 /nfs/dbraw/zinc/82/65/80/369826580.db2.gz NLWKJTYQPJZOQZ-ZFWWWQNUSA-N 2 1 252.402 2.042 20 30 CEEDMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccc(C#N)o2)C1 ZINC000354097264 370215791 /nfs/dbraw/zinc/21/57/91/370215791.db2.gz OOSIBCFOFQBCQA-HNNXBMFYSA-N 2 1 291.395 2.084 20 30 CEEDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccc(C#N)o2)C1 ZINC000354097264 370215802 /nfs/dbraw/zinc/21/58/02/370215802.db2.gz OOSIBCFOFQBCQA-HNNXBMFYSA-N 2 1 291.395 2.084 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+]C2CC(n3cccn3)C2)CC1 ZINC000638523560 370590493 /nfs/dbraw/zinc/59/04/93/370590493.db2.gz CDDUXOFQJKWGES-UHFFFAOYSA-N 2 1 274.412 2.217 20 30 CEEDMP C=C(CC)C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000358618906 371141015 /nfs/dbraw/zinc/14/10/15/371141015.db2.gz XZWUFVJDNZLMMN-QLFBSQMISA-N 2 1 252.402 2.136 20 30 CEEDMP CC[N@@H+](C)Cc1cccc(CNC(=[NH2+])NC(C)(C)C)c1 ZINC000264091975 371967153 /nfs/dbraw/zinc/96/71/53/371967153.db2.gz LIPXOHLHGGCPAL-UHFFFAOYSA-N 2 1 276.428 2.341 20 30 CEEDMP CC[N@H+]1CC[C@H](CNC(=[NH2+])Nc2cc(C)cc(C)c2)C1 ZINC000264135343 371976738 /nfs/dbraw/zinc/97/67/38/371976738.db2.gz ZJYHEDYREDGBFT-CQSZACIVSA-N 2 1 274.412 2.372 20 30 CEEDMP N#Cc1ccc([C@H](O)C[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)cc1 ZINC000268656516 372170769 /nfs/dbraw/zinc/17/07/69/372170769.db2.gz LBBJRLJSLSVJQH-HZPDHXFCSA-N 2 1 296.374 2.194 20 30 CEEDMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000271794602 373200150 /nfs/dbraw/zinc/20/01/50/373200150.db2.gz ITIXCSGEDYGSNZ-CYBMUJFWSA-N 2 1 284.363 2.445 20 30 CEEDMP C=CCCC[N@@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000420986790 376760852 /nfs/dbraw/zinc/76/08/52/376760852.db2.gz ZALRLZJCQHQICM-UHFFFAOYSA-N 2 1 279.472 2.445 20 30 CEEDMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)Cc1ccc(C#N)cc1F ZINC000290350299 376743314 /nfs/dbraw/zinc/74/33/14/376743314.db2.gz FZVFUSNKUPYLID-WBMJQRKESA-N 2 1 275.371 2.469 20 30 CEEDMP CCN(C)C[C@H](O)C[N@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000563628934 377267348 /nfs/dbraw/zinc/26/73/48/377267348.db2.gz DUMXKSMHGNRXEG-KRWDZBQOSA-N 2 1 289.423 2.081 20 30 CEEDMP CCN(C)C[C@H](O)C[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000563628934 377267362 /nfs/dbraw/zinc/26/73/62/377267362.db2.gz DUMXKSMHGNRXEG-KRWDZBQOSA-N 2 1 289.423 2.081 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](CCOC)c1ccc(F)cc1 ZINC000294900940 378027431 /nfs/dbraw/zinc/02/74/31/378027431.db2.gz FNLVZBIGJZVCAF-KRWDZBQOSA-N 2 1 292.398 2.448 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](CCOC)c1ccc(F)cc1 ZINC000294900940 378027435 /nfs/dbraw/zinc/02/74/35/378027435.db2.gz FNLVZBIGJZVCAF-KRWDZBQOSA-N 2 1 292.398 2.448 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCc2cc(F)c(OC)cc21 ZINC000294936267 378030174 /nfs/dbraw/zinc/03/01/74/378030174.db2.gz HTDJIROBMOHQEW-INIZCTEOSA-N 2 1 290.382 2.366 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCc2cc(F)c(OC)cc21 ZINC000294936267 378030178 /nfs/dbraw/zinc/03/01/78/378030178.db2.gz HTDJIROBMOHQEW-INIZCTEOSA-N 2 1 290.382 2.366 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)[C@H](OC)c1ccccc1 ZINC000295042296 378035260 /nfs/dbraw/zinc/03/52/60/378035260.db2.gz POOOEJLXMGASEO-RDJZCZTQSA-N 2 1 274.408 2.307 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)[C@H](OC)c1ccccc1 ZINC000295042296 378035265 /nfs/dbraw/zinc/03/52/65/378035265.db2.gz POOOEJLXMGASEO-RDJZCZTQSA-N 2 1 274.408 2.307 20 30 CEEDMP CC[NH+](CC)CCO[C@H]1CC[N@H+](CC2(C#N)CCC2)C1 ZINC000450449427 378422682 /nfs/dbraw/zinc/42/26/82/378422682.db2.gz BZRFVBLHHFTEAU-HNNXBMFYSA-N 2 1 279.428 2.113 20 30 CEEDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CC2(C#N)CCC2)C1 ZINC000450449427 378422690 /nfs/dbraw/zinc/42/26/90/378422690.db2.gz BZRFVBLHHFTEAU-HNNXBMFYSA-N 2 1 279.428 2.113 20 30 CEEDMP C=CCC[C@@H](O)C[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000305065216 379617621 /nfs/dbraw/zinc/61/76/21/379617621.db2.gz HOZQVSATIRBTMW-HUUCEWRRSA-N 2 1 254.418 2.120 20 30 CEEDMP C=CCC[C@@H](O)C[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000305065216 379617631 /nfs/dbraw/zinc/61/76/31/379617631.db2.gz HOZQVSATIRBTMW-HUUCEWRRSA-N 2 1 254.418 2.120 20 30 CEEDMP C=CCC[C@@H](O)C[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000305065216 379617639 /nfs/dbraw/zinc/61/76/39/379617639.db2.gz HOZQVSATIRBTMW-HUUCEWRRSA-N 2 1 254.418 2.120 20 30 CEEDMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc(C#N)s1 ZINC000267167613 190308224 /nfs/dbraw/zinc/30/82/24/190308224.db2.gz HIFBDDGOEAIFJR-UHFFFAOYSA-N 2 1 260.366 2.305 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H]2CCSC2)CC1 ZINC000487287573 380084952 /nfs/dbraw/zinc/08/49/52/380084952.db2.gz KMEVSIJFUFJWOY-CYBMUJFWSA-N 2 1 254.443 2.370 20 30 CEEDMP CC[NH+]=C(NCCn1cc[nH+]c1C)N1C[C@@H](C)C[C@H](C)C1 ZINC000262587804 394620358 /nfs/dbraw/zinc/62/03/58/394620358.db2.gz TUFDLQZUPPZURU-KBPBESRZSA-N 2 1 291.443 2.135 20 30 CEEDMP CCN(CC)C(=[NH2+])NCCC[N@@H+](C)Cc1ccccc1 ZINC000104157422 394718438 /nfs/dbraw/zinc/71/84/38/394718438.db2.gz FXLFYJICXCKMJD-UHFFFAOYSA-N 2 1 276.428 2.165 20 30 CEEDMP C=CCC[C@H](O)C[NH+]1CCC([N@H+]2CCC[C@H]2C)CC1 ZINC000361187558 394818816 /nfs/dbraw/zinc/81/88/16/394818816.db2.gz AGWBOKYKWKJMOO-ZBFHGGJFSA-N 2 1 266.429 2.262 20 30 CEEDMP C=CCC[C@H](O)C[NH+]1CCC([N@@H+]2CCC[C@H]2C)CC1 ZINC000361187558 394818820 /nfs/dbraw/zinc/81/88/20/394818820.db2.gz AGWBOKYKWKJMOO-ZBFHGGJFSA-N 2 1 266.429 2.262 20 30 CEEDMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@@H]2CC[C@@H](C#N)C2)C1 ZINC000339013010 394936421 /nfs/dbraw/zinc/93/64/21/394936421.db2.gz ZMHHBHNNMLGAFG-BZUAXINKSA-N 2 1 279.428 2.111 20 30 CEEDMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@H]2CC[C@@H](C#N)C2)C1 ZINC000339013012 394936541 /nfs/dbraw/zinc/93/65/41/394936541.db2.gz ZMHHBHNNMLGAFG-OWCLPIDISA-N 2 1 279.428 2.111 20 30 CEEDMP C=C(C)COCC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000353616950 395302669 /nfs/dbraw/zinc/30/26/69/395302669.db2.gz CFKDXUGXDVZHSL-ZNMIVQPWSA-N 2 1 252.402 2.042 20 30 CEEDMP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CCC[C@@H](C#N)C2)CCCO1 ZINC000446972951 395502865 /nfs/dbraw/zinc/50/28/65/395502865.db2.gz BMOKSZPDVZKPLM-BZUAXINKSA-N 2 1 279.428 2.159 20 30 CEEDMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCC[C@@H](C#N)C2)CCCO1 ZINC000446972951 395502867 /nfs/dbraw/zinc/50/28/67/395502867.db2.gz BMOKSZPDVZKPLM-BZUAXINKSA-N 2 1 279.428 2.159 20 30 CEEDMP C=CC[N@@H+](Cc1ccc(OC)cc1)C[C@H]1CC[NH2+]C1 ZINC000647881117 395768206 /nfs/dbraw/zinc/76/82/06/395768206.db2.gz BNAOJGSAKAKMID-HNNXBMFYSA-N 2 1 260.381 2.293 20 30 CEEDMP C=CC[N@H+](Cc1ccc(OC)cc1)C[C@H]1CC[NH2+]C1 ZINC000647881117 395768208 /nfs/dbraw/zinc/76/82/08/395768208.db2.gz BNAOJGSAKAKMID-HNNXBMFYSA-N 2 1 260.381 2.293 20 30 CEEDMP C=CC[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](CCOC)CC2)C1 ZINC000651691444 401372447 /nfs/dbraw/zinc/37/24/47/401372447.db2.gz RLSMEXJPVNQXIH-GDBMZVCRSA-N 2 1 266.429 2.432 20 30 CEEDMP C=CC[C@H](C)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655730240 415417801 /nfs/dbraw/zinc/41/78/01/415417801.db2.gz NPRFTZKXXJLNMY-ZFWWWQNUSA-N 2 1 252.402 2.184 20 30 CEEDMP C=CC[C@H]1CC[C@H]([NH2+]C2(CCO)CC[NH+](C)CC2)C1 ZINC000655788415 415470272 /nfs/dbraw/zinc/47/02/72/415470272.db2.gz IQMVCAFOXRMUKK-GJZGRUSLSA-N 2 1 266.429 2.168 20 30 CEEDMP N#Cc1cccc(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000076761956 177086533 /nfs/dbraw/zinc/08/65/33/177086533.db2.gz GNTMPGSBFYNJGO-KRWDZBQOSA-N 2 1 299.418 2.149 20 30 CEEDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000185770547 262069465 /nfs/dbraw/zinc/06/94/65/262069465.db2.gz HATABNJNSMDAJC-SNPRPXQTSA-N 2 1 260.385 2.500 20 30 CEEDMP C=CCc1cc(C[N@H+](C)C2CC([NH3+])C2)cc(OC)c1O ZINC000414780353 263045577 /nfs/dbraw/zinc/04/55/77/263045577.db2.gz SXSNBWBDVYDXFP-UHFFFAOYSA-N 2 1 276.380 2.051 20 30 CEEDMP C=CCc1cc(C[N@@H+](C)C2CC([NH3+])C2)cc(OC)c1O ZINC000414780353 263045578 /nfs/dbraw/zinc/04/55/78/263045578.db2.gz SXSNBWBDVYDXFP-UHFFFAOYSA-N 2 1 276.380 2.051 20 30 CEEDMP CN(C)C(=[NH2+])NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000290738874 263118416 /nfs/dbraw/zinc/11/84/16/263118416.db2.gz WXNMZMIAXUVWNX-INIZCTEOSA-N 2 1 288.439 2.165 20 30 CEEDMP C=CCc1cc(C[NH2+][C@H]2CC[NH2+][C@H](C)C2)cc(OC)c1O ZINC000414947758 263156127 /nfs/dbraw/zinc/15/61/27/263156127.db2.gz LHCGDBNJWSCEKY-DOMZBBRYSA-N 2 1 290.407 2.359 20 30 CEEDMP C=CCOc1ccc(C[NH2+]C[C@@H]([NH3+])CC)cc1OC ZINC000414975084 263175492 /nfs/dbraw/zinc/17/54/92/263175492.db2.gz FURUSKBNUXKPFZ-ZDUSSCGKSA-N 2 1 264.369 2.087 20 30 CEEDMP C[C@@H]1C[C@H](C)[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1C[NH3+] ZINC000397318352 267088420 /nfs/dbraw/zinc/08/84/20/267088420.db2.gz ABVKUHCENOZCDV-WWGRRREGSA-N 2 1 257.381 2.363 20 30 CEEDMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cccc(C#N)c2)C1 ZINC000459722566 267335662 /nfs/dbraw/zinc/33/56/62/267335662.db2.gz BWECXHDRTIRMDA-AWEZNQCLSA-N 2 1 257.381 2.380 20 30 CEEDMP C=C(C)CC[N@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000375394920 267857781 /nfs/dbraw/zinc/85/77/81/267857781.db2.gz ZSWLDRFPJBADIU-OAHLLOKOSA-N 2 1 265.445 2.053 20 30 CEEDMP C[NH+](C)[C@H]1CCC[C@H]([NH2+]Cc2cnc3ccc(C#N)cn23)C1 ZINC000175009034 312695108 /nfs/dbraw/zinc/69/51/08/312695108.db2.gz QPPCCYCBRZTBSE-GJZGRUSLSA-N 2 1 297.406 2.168 20 30 CEEDMP N#Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCc3[nH]cnc3C1)CC2 ZINC000570790832 314058312 /nfs/dbraw/zinc/05/83/12/314058312.db2.gz YCPYLMVEUJHCRV-DZGCQCFKSA-N 2 1 278.359 2.416 20 30 CEEDMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OCC#N)cc2)C1 ZINC000266639990 328170072 /nfs/dbraw/zinc/17/00/72/328170072.db2.gz TXGFFEGVTNWCMR-INIZCTEOSA-N 2 1 287.407 2.363 20 30 CEEDMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OCC#N)cc2)C1 ZINC000266639990 328170073 /nfs/dbraw/zinc/17/00/73/328170073.db2.gz TXGFFEGVTNWCMR-INIZCTEOSA-N 2 1 287.407 2.363 20 30 CEEDMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(OCC#N)cc2)C1 ZINC000266639990 328170074 /nfs/dbraw/zinc/17/00/74/328170074.db2.gz TXGFFEGVTNWCMR-INIZCTEOSA-N 2 1 287.407 2.363 20 30 CEEDMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(OCC#N)cc2)C1 ZINC000266639990 328170075 /nfs/dbraw/zinc/17/00/75/328170075.db2.gz TXGFFEGVTNWCMR-INIZCTEOSA-N 2 1 287.407 2.363 20 30 CEEDMP C=CC[NH+](CC=C)C[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000420328510 329762937 /nfs/dbraw/zinc/76/29/37/329762937.db2.gz ZPVWKFQCJGHOBJ-HNNXBMFYSA-N 2 1 260.381 2.412 20 30 CEEDMP CCc1cccc(NC(=[NH2+])N[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000262478677 330016420 /nfs/dbraw/zinc/01/64/20/330016420.db2.gz QRHGGADSUUHDAK-AWEZNQCLSA-N 2 1 283.379 2.187 20 30 CEEDMP C#CC[N@H+](C)CCCN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000491635920 332257088 /nfs/dbraw/zinc/25/70/88/332257088.db2.gz WWMKAFMBOGAAPA-HNNXBMFYSA-N 2 1 287.363 2.127 20 30 CEEDMP C#CC[N@@H+](C)CCCN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000491635920 332257089 /nfs/dbraw/zinc/25/70/89/332257089.db2.gz WWMKAFMBOGAAPA-HNNXBMFYSA-N 2 1 287.363 2.127 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000491635920 332257091 /nfs/dbraw/zinc/25/70/91/332257091.db2.gz WWMKAFMBOGAAPA-HNNXBMFYSA-N 2 1 287.363 2.127 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000491635920 332257092 /nfs/dbraw/zinc/25/70/92/332257092.db2.gz WWMKAFMBOGAAPA-HNNXBMFYSA-N 2 1 287.363 2.127 20 30 CEEDMP C#CCOc1ccccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252674617 334385122 /nfs/dbraw/zinc/38/51/22/334385122.db2.gz SRZHYDSHXIEKFZ-IRXDYDNUSA-N 2 1 284.403 2.415 20 30 CEEDMP C#CCOc1ccccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252674617 334385123 /nfs/dbraw/zinc/38/51/23/334385123.db2.gz SRZHYDSHXIEKFZ-IRXDYDNUSA-N 2 1 284.403 2.415 20 30 CEEDMP C=C[C@H](CO)[NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000353572473 527592688 /nfs/dbraw/zinc/59/26/88/527592688.db2.gz XSWVLKPXKKAWQR-SQWLQELKSA-N 2 1 266.429 2.166 20 30 CEEDMP CC[NH+](CC)CC1CC[NH+](C[C@H](C#N)CCC#N)CC1 ZINC000352787706 528094900 /nfs/dbraw/zinc/09/49/00/528094900.db2.gz HBASOMDWAQEDTG-INIZCTEOSA-N 2 1 276.428 2.484 20 30 CEEDMP C=CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC000968920434 613683395 /nfs/dbraw/zinc/68/33/95/613683395.db2.gz VEZIRGOVCIKAAK-CVEARBPZSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000968920434 613683397 /nfs/dbraw/zinc/68/33/97/613683397.db2.gz VEZIRGOVCIKAAK-CVEARBPZSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC000968920434 613683399 /nfs/dbraw/zinc/68/33/99/613683399.db2.gz VEZIRGOVCIKAAK-CVEARBPZSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC000968920434 613683400 /nfs/dbraw/zinc/68/34/00/613683400.db2.gz VEZIRGOVCIKAAK-CVEARBPZSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001024534962 625606236 /nfs/dbraw/zinc/60/62/36/625606236.db2.gz MPDSRAMBYDWLQL-OAHLLOKOSA-N 2 1 298.390 2.105 20 30 CEEDMP C=CC[C@@H]1CC[N@@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000934460508 624507727 /nfs/dbraw/zinc/50/77/27/624507727.db2.gz JOWYVWGXRWPBDZ-MRXNPFEDSA-N 2 1 265.445 2.053 20 30 CEEDMP C#CC[N@@H+](C)CCCNc1cc[nH+]c(C)c1Cl ZINC000328314774 627877028 /nfs/dbraw/zinc/87/70/28/627877028.db2.gz XPWSZJUNABJUEK-UHFFFAOYSA-N 2 1 251.761 2.410 20 30 CEEDMP N#Cc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CC[NH2+]C13CCCC3)C2 ZINC000925729856 628668832 /nfs/dbraw/zinc/66/88/32/628668832.db2.gz STDYEHOXLAJEQP-IAGOWNOFSA-N 2 1 281.403 2.290 20 30 CEEDMP C#CCOc1ccc(C[NH2+]CC[C@H](C)[NH+](C)C)cc1 ZINC000895298193 630086633 /nfs/dbraw/zinc/08/66/33/630086633.db2.gz UEIIZJDUGSMFAT-AWEZNQCLSA-N 2 1 260.381 2.128 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1C[C@@H](OC)C1(CC)CC ZINC000815652478 633043623 /nfs/dbraw/zinc/04/36/23/633043623.db2.gz FBXJPZYTMDKZMZ-HUUCEWRRSA-N 2 1 266.429 2.125 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1C[C@@H](OC)C1(CC)CC ZINC000815652478 633043624 /nfs/dbraw/zinc/04/36/24/633043624.db2.gz FBXJPZYTMDKZMZ-HUUCEWRRSA-N 2 1 266.429 2.125 20 30 CEEDMP N#CC1CCC(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)CC1 ZINC000903447084 635133189 /nfs/dbraw/zinc/13/31/89/635133189.db2.gz CZNIDVVYGZSKTK-SVXVCFNTSA-N 2 1 261.413 2.376 20 30 CEEDMP Cc1cc(C#N)cc(C)c1C[N@@H+](C)C1(C[NH3+])CCOCC1 ZINC000903810138 635283462 /nfs/dbraw/zinc/28/34/62/635283462.db2.gz ZAFFSUXMGYRARY-UHFFFAOYSA-N 2 1 287.407 2.115 20 30 CEEDMP Cc1cc(C#N)cc(C)c1C[N@H+](C)C1(C[NH3+])CCOCC1 ZINC000903810138 635283467 /nfs/dbraw/zinc/28/34/67/635283467.db2.gz ZAFFSUXMGYRARY-UHFFFAOYSA-N 2 1 287.407 2.115 20 30 CEEDMP N#Cc1ccc([C@H]2C[N@@H+](CC[C@@H]3CCC[NH2+]C3)CCO2)cc1 ZINC000903825007 635292104 /nfs/dbraw/zinc/29/21/04/635292104.db2.gz XAZAPLWWXCVIMI-FUHWJXTLSA-N 2 1 299.418 2.321 20 30 CEEDMP C[C@]1(C[NH+]2CCN(c3ccc(C#N)cc3)CC2)CCC[NH2+]C1 ZINC000904384277 635607413 /nfs/dbraw/zinc/60/74/13/635607413.db2.gz ISJRQACSHZUNLC-SFHVURJKSA-N 2 1 298.434 2.070 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCCc2ccccc2C1 ZINC000834815904 637958543 /nfs/dbraw/zinc/95/85/43/637958543.db2.gz ZMYMFQROSPEDEN-SFHVURJKSA-N 2 1 270.420 2.479 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCCc2ccccc2C1 ZINC000834815904 637958549 /nfs/dbraw/zinc/95/85/49/637958549.db2.gz ZMYMFQROSPEDEN-SFHVURJKSA-N 2 1 270.420 2.479 20 30 CEEDMP CC[NH+]=C(NC[C@H]1CC[N@H+](C(C)C)C1)NC(C)(C)C ZINC000912499145 638708283 /nfs/dbraw/zinc/70/82/83/638708283.db2.gz MCBBWMXVYMOULI-CYBMUJFWSA-N 2 1 268.449 2.070 20 30 CEEDMP Cc1[nH+]ccn1CCC[NH2+]Cc1cc(C#N)cnc1Cl ZINC000876946581 650500465 /nfs/dbraw/zinc/50/04/65/650500465.db2.gz MKSNUEGBVAINJS-UHFFFAOYSA-N 2 1 289.770 2.292 20 30 CEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1c(C)cccc1C ZINC000153322406 640461069 /nfs/dbraw/zinc/46/10/69/640461069.db2.gz HZQPHYPRNGBZSR-OAHLLOKOSA-N 2 1 288.439 2.192 20 30 CEEDMP C#CCOc1ccc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)cc1 ZINC000092253713 640668379 /nfs/dbraw/zinc/66/83/79/640668379.db2.gz JIBJSDLLXGRRFZ-KRWDZBQOSA-N 2 1 286.419 2.472 20 30 CEEDMP C#CCOc1ccc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)cc1 ZINC000092253713 640668380 /nfs/dbraw/zinc/66/83/80/640668380.db2.gz JIBJSDLLXGRRFZ-KRWDZBQOSA-N 2 1 286.419 2.472 20 30 CEEDMP C#CCOc1ccc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000092253713 640668383 /nfs/dbraw/zinc/66/83/83/640668383.db2.gz JIBJSDLLXGRRFZ-KRWDZBQOSA-N 2 1 286.419 2.472 20 30 CEEDMP C=CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC000999505196 642493337 /nfs/dbraw/zinc/49/33/37/642493337.db2.gz IEPKAVNQOZQXNT-GPANFISMSA-N 2 1 293.455 2.014 20 30 CEEDMP C#CCOCC[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000851772647 643153912 /nfs/dbraw/zinc/15/39/12/643153912.db2.gz BWOYNGFQOOKSFV-DLBZAZTESA-N 2 1 278.440 2.223 20 30 CEEDMP C#CCOCC[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000851772647 643153919 /nfs/dbraw/zinc/15/39/19/643153919.db2.gz BWOYNGFQOOKSFV-DLBZAZTESA-N 2 1 278.440 2.223 20 30 CEEDMP C#CCOCC[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000851772647 643153925 /nfs/dbraw/zinc/15/39/25/643153925.db2.gz BWOYNGFQOOKSFV-DLBZAZTESA-N 2 1 278.440 2.223 20 30 CEEDMP C#CCOCC[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000851772647 643153928 /nfs/dbraw/zinc/15/39/28/643153928.db2.gz BWOYNGFQOOKSFV-DLBZAZTESA-N 2 1 278.440 2.223 20 30 CEEDMP CCO[C@H](C[NH2+]C1CCC(C)(C#N)CC1)C[NH+](C)C ZINC000922753322 643243718 /nfs/dbraw/zinc/24/37/18/643243718.db2.gz FOCXCKSKOGWKNO-SHARSMKWSA-N 2 1 267.417 2.015 20 30 CEEDMP Cc1ccc(C[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)cc1C#N ZINC000923492651 643737081 /nfs/dbraw/zinc/73/70/81/643737081.db2.gz YLQPTMSXMYUMLJ-DZGCQCFKSA-N 2 1 257.381 2.283 20 30 CEEDMP Cc1ccc(C[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)cc1C#N ZINC000923492653 643737439 /nfs/dbraw/zinc/73/74/39/643737439.db2.gz YLQPTMSXMYUMLJ-UKRRQHHQSA-N 2 1 257.381 2.283 20 30 CEEDMP C#CCCC[NH+]1CCC(CCC[N@H+](C)CCOC)CC1 ZINC000766979415 645943162 /nfs/dbraw/zinc/94/31/62/645943162.db2.gz YAQWZQNMHGFJIH-UHFFFAOYSA-N 2 1 280.456 2.470 20 30 CEEDMP C#CC[N@@H+](C)CCCN[C@@H](c1ccccn1)C(C)C ZINC000866363756 647757065 /nfs/dbraw/zinc/75/70/65/647757065.db2.gz NRLSDIUDWKPAFL-MRXNPFEDSA-N 2 1 259.397 2.323 20 30 CEEDMP C#CC[N@H+](C)CCCN[C@@H](c1ccccn1)C(C)C ZINC000866363756 647757068 /nfs/dbraw/zinc/75/70/68/647757068.db2.gz NRLSDIUDWKPAFL-MRXNPFEDSA-N 2 1 259.397 2.323 20 30 CEEDMP C[C@@H]1C[C@@H](C[N@@H+](C)CCc2cccc(C#N)c2)CC[NH2+]1 ZINC000873219017 649594837 /nfs/dbraw/zinc/59/48/37/649594837.db2.gz CRNPNHKVLOSFHH-PBHICJAKSA-N 2 1 271.408 2.421 20 30 CEEDMP C[C@@H]([NH2+][C@H]1Cc2ccc(C#N)cc2C1)[C@@H]1CCCC[NH2+]1 ZINC000873275834 649621677 /nfs/dbraw/zinc/62/16/77/649621677.db2.gz ONVXFMDPAJNDSP-DQYPLSBCSA-N 2 1 269.392 2.146 20 30 CEEDMP Cn1c[nH+]cc1CCC[N@H+](C)CCc1cccc(C#N)c1 ZINC000879432352 651302701 /nfs/dbraw/zinc/30/27/01/651302701.db2.gz INUVUHNQLNJVGZ-UHFFFAOYSA-N 2 1 282.391 2.399 20 30 CEEDMP Cn1c[nH+]cc1CCC[N@@H+](C)CCc1cccc(C#N)c1 ZINC000879432352 651302704 /nfs/dbraw/zinc/30/27/04/651302704.db2.gz INUVUHNQLNJVGZ-UHFFFAOYSA-N 2 1 282.391 2.399 20 30 CEEDMP CC(C)C[N@@H+](CCO[C@H](C)C#N)CC1CC[NH+](C)CC1 ZINC000879703744 651341489 /nfs/dbraw/zinc/34/14/89/651341489.db2.gz VQXNADCJKAGLRL-OAHLLOKOSA-N 2 1 281.444 2.215 20 30 CEEDMP C[C@@H]1C[N@H+]([C@@H]2CC[C@H](C#N)C2)CCN1c1cc[nH+]cc1 ZINC000880259783 651412222 /nfs/dbraw/zinc/41/22/22/651412222.db2.gz IRKAGUUIHSFWEX-IJEWVQPXSA-N 2 1 270.380 2.284 20 30 CEEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)[C@H]1CC ZINC001087725162 805781461 /nfs/dbraw/zinc/78/14/61/805781461.db2.gz FCPIPSMXKBFRTF-OWCLPIDISA-N 2 1 293.455 2.016 20 30 CEEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)[C@H]1CC ZINC001087725162 805781468 /nfs/dbraw/zinc/78/14/68/805781468.db2.gz FCPIPSMXKBFRTF-OWCLPIDISA-N 2 1 293.455 2.016 20 30 CEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)[C@H]1CC ZINC001087840076 805811941 /nfs/dbraw/zinc/81/19/41/805811941.db2.gz GPJIPYOFRBMNGP-ARFHVFGLSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)[C@H]1CC ZINC001087840076 805811951 /nfs/dbraw/zinc/81/19/51/805811951.db2.gz GPJIPYOFRBMNGP-ARFHVFGLSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2CC)[C@H]1CC ZINC001087840076 805811961 /nfs/dbraw/zinc/81/19/61/805811961.db2.gz GPJIPYOFRBMNGP-ARFHVFGLSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@H]1C ZINC001088708371 806675033 /nfs/dbraw/zinc/67/50/33/806675033.db2.gz QVGXLSVEIXYSEM-CJNGLKHVSA-N 2 1 298.390 2.103 20 30 CEEDMP C=CC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2C)CCCCC1 ZINC001115598777 802945428 /nfs/dbraw/zinc/94/54/28/802945428.db2.gz YIDSQSCOKWZKFH-OAHLLOKOSA-N 2 1 293.455 2.065 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)Cc1ccc(C)cc1 ZINC001117712170 814939369 /nfs/dbraw/zinc/93/93/69/814939369.db2.gz CKHUGMNFNCNQNA-MRXNPFEDSA-N 2 1 258.409 2.471 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)Cc1ccc(C)cc1 ZINC001117712170 814939374 /nfs/dbraw/zinc/93/93/74/814939374.db2.gz CKHUGMNFNCNQNA-MRXNPFEDSA-N 2 1 258.409 2.471 20 30 CEEDMP C=C(C)C[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C)C(C)C ZINC001267504536 803515636 /nfs/dbraw/zinc/51/56/36/803515636.db2.gz UMNIGZZXZUBPDK-INIZCTEOSA-N 2 1 295.471 2.264 20 30 CEEDMP C=C(C)C[NH+](CCCNC(=O)[C@@H]1CCCC[N@@H+]1C)C(C)C ZINC001267504536 803515642 /nfs/dbraw/zinc/51/56/42/803515642.db2.gz UMNIGZZXZUBPDK-INIZCTEOSA-N 2 1 295.471 2.264 20 30 CEEDMP C=C(C)C[NH+](CCCNC(=O)[C@@H]1CCCC[N@H+]1C)C(C)C ZINC001267504536 803515647 /nfs/dbraw/zinc/51/56/47/803515647.db2.gz UMNIGZZXZUBPDK-INIZCTEOSA-N 2 1 295.471 2.264 20 30 CEEDMP C=CCC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001027879736 804315592 /nfs/dbraw/zinc/31/55/92/804315592.db2.gz XCUFHXOPCWGEFK-HOTGVXAUSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001027879736 804315601 /nfs/dbraw/zinc/31/56/01/804315601.db2.gz XCUFHXOPCWGEFK-HOTGVXAUSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001027879736 804315611 /nfs/dbraw/zinc/31/56/11/804315611.db2.gz XCUFHXOPCWGEFK-HOTGVXAUSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CCN1CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC001038904846 804512836 /nfs/dbraw/zinc/51/28/36/804512836.db2.gz XXOHRHHQZSCEBR-CVEARBPZSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCC[C@@H](C)[N@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001269138616 805060774 /nfs/dbraw/zinc/06/07/74/805060774.db2.gz TWVCHYYZYRSVPP-HUUCEWRRSA-N 2 1 293.455 2.016 20 30 CEEDMP C=C(C)C[NH2+]CC[C@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001269799209 805255632 /nfs/dbraw/zinc/25/56/32/805255632.db2.gz SKNUVHCVEHIAOU-MRXNPFEDSA-N 2 1 295.471 2.121 20 30 CEEDMP N#Cc1ccc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)o1 ZINC001118999022 815062270 /nfs/dbraw/zinc/06/22/70/815062270.db2.gz MEVWDCCGRKGDPM-UHFFFAOYSA-N 2 1 259.353 2.117 20 30 CEEDMP C=C(C)C(=O)OCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167965713 805467718 /nfs/dbraw/zinc/46/77/18/805467718.db2.gz LUYDLSJYLKWOLH-MQVJKMGUSA-N 2 1 292.423 2.101 20 30 CEEDMP C=CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001052955875 812477820 /nfs/dbraw/zinc/47/78/20/812477820.db2.gz KTVIQPPVFDLNTI-HZPDHXFCSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001052955875 812477824 /nfs/dbraw/zinc/47/78/24/812477824.db2.gz KTVIQPPVFDLNTI-HZPDHXFCSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001052955875 812477827 /nfs/dbraw/zinc/47/78/27/812477827.db2.gz KTVIQPPVFDLNTI-HZPDHXFCSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCCCCC[NH2+]CCNC(=O)C(C)(C)[N@H+](C)CC ZINC001130425396 812567204 /nfs/dbraw/zinc/56/72/04/812567204.db2.gz XLMAEJHOOMHIIW-UHFFFAOYSA-N 2 1 283.460 2.169 20 30 CEEDMP C=C(C)C[NH+]1C[C@H](NC(=O)C[N@H+](C)C2CCC2)CC[C@H]1C ZINC001132105837 812788539 /nfs/dbraw/zinc/78/85/39/812788539.db2.gz NOTSQATYSAYTHY-HUUCEWRRSA-N 2 1 293.455 2.016 20 30 CEEDMP C=C(C)C[NH+]1C[C@H](NC(=O)C[N@@H+](C)C2CCC2)CC[C@H]1C ZINC001132105837 812788544 /nfs/dbraw/zinc/78/85/44/812788544.db2.gz NOTSQATYSAYTHY-HUUCEWRRSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CCC[N@@H+]1C[C@H](NC(=O)C[NH+](C)C2CCC2)CC[C@@H]1C ZINC001132111727 812789323 /nfs/dbraw/zinc/78/93/23/812789323.db2.gz WVQSJASKKMZOJH-LSDHHAIUSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CCC[NH+]1C[C@H](NC(=O)C[N@H+](C)C2CCC2)CC[C@@H]1C ZINC001132111727 812789330 /nfs/dbraw/zinc/78/93/30/812789330.db2.gz WVQSJASKKMZOJH-LSDHHAIUSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CCC[NH+]1C[C@H](NC(=O)C[N@@H+](C)C2CCC2)CC[C@@H]1C ZINC001132111727 812789334 /nfs/dbraw/zinc/78/93/34/812789334.db2.gz WVQSJASKKMZOJH-LSDHHAIUSA-N 2 1 293.455 2.016 20 30 CEEDMP C=C(C)CC[N@@H+]1C[C@H](NC(=O)CCC[NH+](C)C)CC[C@H]1C ZINC001132269550 812816401 /nfs/dbraw/zinc/81/64/01/812816401.db2.gz LVIFPZLFXWGYNQ-HZPDHXFCSA-N 2 1 295.471 2.264 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+]Cc1cccc2cnccc21 ZINC000394246112 813365211 /nfs/dbraw/zinc/36/52/11/813365211.db2.gz SCGZBGXNMCKMQY-UHFFFAOYSA-N 2 1 267.376 2.280 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1cccc2cnccc21 ZINC000394246112 813365217 /nfs/dbraw/zinc/36/52/17/813365217.db2.gz SCGZBGXNMCKMQY-UHFFFAOYSA-N 2 1 267.376 2.280 20 30 CEEDMP C=CCCCCCC[C@H](O)C[N@H+]1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC001246046945 813666935 /nfs/dbraw/zinc/66/69/35/813666935.db2.gz RKXCOZXIBSNRTN-ULQDDVLXSA-N 2 1 280.456 2.415 20 30 CEEDMP C=CCCC[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001159839009 813678900 /nfs/dbraw/zinc/67/89/00/813678900.db2.gz RQVBBJUCWWJYCC-MRXNPFEDSA-N 2 1 295.471 2.026 20 30 CEEDMP C[C@H](Cc1cccc(C#N)c1)[N@@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001246547002 813983544 /nfs/dbraw/zinc/98/35/44/813983544.db2.gz ONWKBHHUEFTQKM-ZENOOKHLSA-N 2 1 257.381 2.301 20 30 CEEDMP C[C@H](Cc1cccc(C#N)c1)[N@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001246547002 813983551 /nfs/dbraw/zinc/98/35/51/813983551.db2.gz ONWKBHHUEFTQKM-ZENOOKHLSA-N 2 1 257.381 2.301 20 30 CEEDMP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+](C)C(C)C)C2 ZINC001111466036 813987731 /nfs/dbraw/zinc/98/77/31/813987731.db2.gz DLYUDLWIIRRZTN-OAGGEKHMSA-N 2 1 293.455 2.014 20 30 CEEDMP C[C@@H](Cc1cccc(C#N)c1)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC001171181097 814068234 /nfs/dbraw/zinc/06/82/34/814068234.db2.gz HBDKNSPARFPHGY-YOEHRIQHSA-N 2 1 271.408 2.421 20 30 CEEDMP C=CCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001146331700 814275425 /nfs/dbraw/zinc/27/54/25/814275425.db2.gz CVXNKJNUWVGDFF-ZIAGYGMSSA-N 2 1 292.427 2.031 20 30 CEEDMP CCCCCCC[C@H](C)[N@H+]1C[C@@H](N)[C@@H](C(=O)OC)C1 ZINC001246929547 814429853 /nfs/dbraw/zinc/42/98/53/814429853.db2.gz FVFBUPRWSPLSSZ-MELADBBJSA-N 2 1 270.417 2.168 20 30 CEEDMP CCCCCCC[C@H](C)[N@H+]1C[C@H](N)[C@@H](C(=O)OC)C1 ZINC001246929546 814430079 /nfs/dbraw/zinc/43/00/79/814430079.db2.gz FVFBUPRWSPLSSZ-IHRRRGAJSA-N 2 1 270.417 2.168 20 30 CEEDMP CCC1([NH3+])CC[NH+](Cc2ccc(C#N)c(OC)c2)CC1 ZINC000714749937 814914378 /nfs/dbraw/zinc/91/43/78/814914378.db2.gz INYVPFLESLOMRX-UHFFFAOYSA-N 2 1 273.380 2.270 20 30 CEEDMP COc1ccc(C[NH+]2CCC3(C[NH+](C)C3)CC2)c(C#N)c1 ZINC001137705889 815669358 /nfs/dbraw/zinc/66/93/58/815669358.db2.gz FTEKIDZKKVQMTG-UHFFFAOYSA-N 2 1 285.391 2.094 20 30 CEEDMP Cc1c[nH+]ccc1Nc1sc2c(c1C#N)CC[N@H+](C)C2 ZINC001174536022 816023902 /nfs/dbraw/zinc/02/39/02/816023902.db2.gz HNPVMACEPNVZAK-UHFFFAOYSA-N 2 1 284.388 2.477 20 30 CEEDMP CC[NH+]1C[C@@H]2C[NH+](Cc3c[nH]c4c3cccc4C#N)C[C@H]2C1 ZINC001139707673 816092089 /nfs/dbraw/zinc/09/20/89/816092089.db2.gz OJSGUEMAGGAJBU-HZPDHXFCSA-N 2 1 294.402 2.423 20 30 CEEDMP C=CCC1([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCOCC1 ZINC000668552440 539196600 /nfs/dbraw/zinc/19/66/00/539196600.db2.gz MGEHPAXJEFICQW-HUUCEWRRSA-N 2 1 264.413 2.328 20 30 CEEDMP Cc1cc(N2CCC([N@H+](C)CCCC#N)CC2)nc(C)[nH+]1 ZINC000080967918 344031051 /nfs/dbraw/zinc/03/10/51/344031051.db2.gz DXCOSZYODVRVMF-UHFFFAOYSA-N 2 1 287.411 2.298 20 30 CEEDMP Cc1cc(N2CCC([N@@H+](C)CCCC#N)CC2)nc(C)[nH+]1 ZINC000080967918 344031052 /nfs/dbraw/zinc/03/10/52/344031052.db2.gz DXCOSZYODVRVMF-UHFFFAOYSA-N 2 1 287.411 2.298 20 30 CEEDMP C[C@@H]1CCC[N@@H+](CCCCNC(=[NH2+])Nc2ccccn2)C1 ZINC000170903798 344492670 /nfs/dbraw/zinc/49/26/70/344492670.db2.gz VBGKFNIQOYLZQL-CQSZACIVSA-N 2 1 289.427 2.320 20 30 CEEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000602561523 347078624 /nfs/dbraw/zinc/07/86/24/347078624.db2.gz RZUYJKNMXLUYTJ-QLFBSQMISA-N 2 1 279.428 2.158 20 30 CEEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000602561523 347078627 /nfs/dbraw/zinc/07/86/27/347078627.db2.gz RZUYJKNMXLUYTJ-QLFBSQMISA-N 2 1 279.428 2.158 20 30 CEEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000602561524 347078641 /nfs/dbraw/zinc/07/86/41/347078641.db2.gz RZUYJKNMXLUYTJ-RBSFLKMASA-N 2 1 279.428 2.158 20 30 CEEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000602561524 347078644 /nfs/dbraw/zinc/07/86/44/347078644.db2.gz RZUYJKNMXLUYTJ-RBSFLKMASA-N 2 1 279.428 2.158 20 30 CEEDMP Cn1c[nH+]cc1CCCN1Cc2cccc(C#N)c2C1 ZINC000405109909 344883418 /nfs/dbraw/zinc/88/34/18/344883418.db2.gz MRXNVDHEQTVSDF-UHFFFAOYSA-N 2 1 266.348 2.240 20 30 CEEDMP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccc(C#N)cc1F ZINC000591570768 345264469 /nfs/dbraw/zinc/26/44/69/345264469.db2.gz KBYXZGSFODKHRK-NHYWBVRUSA-N 2 1 261.344 2.175 20 30 CEEDMP C[C@@H]1CC[N@@H+](C[C@H](O)CC(C)(C)C#N)C[C@H]1n1ccnc1 ZINC000598598797 346381099 /nfs/dbraw/zinc/38/10/99/346381099.db2.gz VWSOIBSXOMHMCJ-RBSFLKMASA-N 2 1 290.411 2.067 20 30 CEEDMP N#Cc1ccccc1C[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000598683294 346400137 /nfs/dbraw/zinc/40/01/37/346400137.db2.gz REDFTAHRMNJEMQ-OKZBNKHCSA-N 2 1 299.418 2.277 20 30 CEEDMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]C[C@H](O)CC(C)(C)C#N)C1 ZINC000598716176 346406398 /nfs/dbraw/zinc/40/63/98/346406398.db2.gz ZCUBOCSSUSCRKN-HZPDHXFCSA-N 2 1 295.471 2.389 20 30 CEEDMP C[C@H]1CC[C@@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C[NH2+]1 ZINC000600710530 346675908 /nfs/dbraw/zinc/67/59/08/346675908.db2.gz ODKBTJQAEGFTAJ-WMLDXEAASA-N 2 1 298.434 2.257 20 30 CEEDMP C[C@H]1C[C@H](C[N@H+]2CCc3c(CC#N)cccc3C2)CC[NH2+]1 ZINC000600771435 346687058 /nfs/dbraw/zinc/68/70/58/346687058.db2.gz FRYDTHAEMKDENS-LSDHHAIUSA-N 2 1 283.419 2.499 20 30 CEEDMP CCC1([NH+](C)C)CC[NH+](C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000602966808 347259382 /nfs/dbraw/zinc/25/93/82/347259382.db2.gz RMUNKFXEAKOYPM-AWEZNQCLSA-N 2 1 281.444 2.093 20 30 CEEDMP N#Cc1cc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)ccn1 ZINC000610995107 347730407 /nfs/dbraw/zinc/73/04/07/347730407.db2.gz HQYXALGZFMKMAU-MAUKXSAKSA-N 2 1 296.418 2.402 20 30 CEEDMP C[N@H+](CCCO)C1CC[NH+](CCCCC(C)(C)C#N)CC1 ZINC000336845271 365920147 /nfs/dbraw/zinc/92/01/47/365920147.db2.gz BLZVBEVFSFVRJL-UHFFFAOYSA-N 2 1 295.471 2.485 20 30 CEEDMP C[N@@H+](CCCO)C1CC[NH+](CCCCC(C)(C)C#N)CC1 ZINC000336845271 365920151 /nfs/dbraw/zinc/92/01/51/365920151.db2.gz BLZVBEVFSFVRJL-UHFFFAOYSA-N 2 1 295.471 2.485 20 30 CEEDMP C[C@@H](C#N)C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000612585087 347904017 /nfs/dbraw/zinc/90/40/17/347904017.db2.gz RZCMXAYEDUAXOR-HNNXBMFYSA-N 2 1 287.407 2.410 20 30 CEEDMP C[C@H](CCC#N)C[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000618887339 349060245 /nfs/dbraw/zinc/06/02/45/349060245.db2.gz UZSUUHIIVJLZIT-SJORKVTESA-N 2 1 292.471 2.028 20 30 CEEDMP N#Cc1cccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000106868426 186144535 /nfs/dbraw/zinc/14/45/35/186144535.db2.gz NUAWJCZZEBBIRM-JKSUJKDBSA-N 2 1 255.365 2.275 20 30 CEEDMP N#Cc1cccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000106868426 186144536 /nfs/dbraw/zinc/14/45/36/186144536.db2.gz NUAWJCZZEBBIRM-JKSUJKDBSA-N 2 1 255.365 2.275 20 30 CEEDMP C[N@@H+](CCCSCC#N)CCC[NH+]1CCCC1 ZINC000337274963 366120243 /nfs/dbraw/zinc/12/02/43/366120243.db2.gz PZVAFMNADVSRAC-UHFFFAOYSA-N 2 1 255.431 2.051 20 30 CEEDMP CCCNC(=[NH2+])NC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000136873144 366528912 /nfs/dbraw/zinc/52/89/12/366528912.db2.gz HUZXEHRHQGUGAF-GOEBONIOSA-N 2 1 288.439 2.211 20 30 CEEDMP N#Cc1cccc(OCC[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000150831004 366600262 /nfs/dbraw/zinc/60/02/62/366600262.db2.gz IAGVOXMYWMMYIP-KRWDZBQOSA-N 2 1 299.418 2.355 20 30 CEEDMP N#Cc1cccc(OCC[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000150831004 366600269 /nfs/dbraw/zinc/60/02/69/366600269.db2.gz IAGVOXMYWMMYIP-KRWDZBQOSA-N 2 1 299.418 2.355 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)CCCCO)CC1 ZINC000679341560 541260612 /nfs/dbraw/zinc/26/06/12/541260612.db2.gz NHZFGHILKJYTHF-CQSZACIVSA-N 2 1 254.418 2.168 20 30 CEEDMP C[NH+]1CCC([NH2+]C2CC(C#N)(c3ccccc3)C2)CC1 ZINC000086036720 363836808 /nfs/dbraw/zinc/83/68/08/363836808.db2.gz KJDWFPAXYJIYMB-UHFFFAOYSA-N 2 1 269.392 2.294 20 30 CEEDMP N#Cc1cccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000335538843 212235671 /nfs/dbraw/zinc/23/56/71/212235671.db2.gz MVINUEXWKKAJHH-UHFFFAOYSA-N 2 1 255.365 2.134 20 30 CEEDMP N#Cc1ccc([C@H](O)C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000246007412 370898911 /nfs/dbraw/zinc/89/89/11/370898911.db2.gz KMBCBMYKLOIDSU-FUHWJXTLSA-N 2 1 299.418 2.009 20 30 CEEDMP N#Cc1ccc([C@H](O)C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000246007412 370898914 /nfs/dbraw/zinc/89/89/14/370898914.db2.gz KMBCBMYKLOIDSU-FUHWJXTLSA-N 2 1 299.418 2.009 20 30 CEEDMP C=CCc1cc(C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cc(OC)c1O ZINC000346693813 368776081 /nfs/dbraw/zinc/77/60/81/368776081.db2.gz PVDSDYLQCXMFFA-GXTWGEPZSA-N 2 1 290.407 2.298 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@](C)(CC)OC)CC1 ZINC000638524917 370590214 /nfs/dbraw/zinc/59/02/14/370590214.db2.gz VJWARPOUEZMCBP-HNNXBMFYSA-N 2 1 254.418 2.432 20 30 CEEDMP N#Cc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)s1 ZINC000253202352 371503637 /nfs/dbraw/zinc/50/36/37/371503637.db2.gz YTZSJSGDWFHBRR-NEPJUHHUSA-N 2 1 261.394 2.336 20 30 CEEDMP N#Cc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)s1 ZINC000253202352 371503640 /nfs/dbraw/zinc/50/36/40/371503640.db2.gz YTZSJSGDWFHBRR-NEPJUHHUSA-N 2 1 261.394 2.336 20 30 CEEDMP C[C@H](CNC(=[NH2+])NC(C)(C)C)[N@H+](C)Cc1ccccc1 ZINC000267421318 372072643 /nfs/dbraw/zinc/07/26/43/372072643.db2.gz KPZHNYOEDBNQJM-CYBMUJFWSA-N 2 1 276.428 2.210 20 30 CEEDMP C[C@H](CNC(=[NH2+])NC(C)(C)C)[N@@H+](C)Cc1ccccc1 ZINC000267421318 372072648 /nfs/dbraw/zinc/07/26/48/372072648.db2.gz KPZHNYOEDBNQJM-CYBMUJFWSA-N 2 1 276.428 2.210 20 30 CEEDMP CCC#C[C@@H](C)[N@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000643255217 373001013 /nfs/dbraw/zinc/00/10/13/373001013.db2.gz FWOBJKGUAVAVKG-QGZVFWFLSA-N 2 1 291.483 2.280 20 30 CEEDMP Cn1ccnc1[C@H]1CCC[N@@H+](Cc2cc(C#N)n(C)c2)C1 ZINC000369685036 373488794 /nfs/dbraw/zinc/48/87/94/373488794.db2.gz ZEQNTKJVKWZINA-AWEZNQCLSA-N 2 1 283.379 2.010 20 30 CEEDMP COc1cc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)ccc1C#N ZINC000353640464 220211546 /nfs/dbraw/zinc/21/15/46/220211546.db2.gz GXACKNSGXZSOCD-DVOMOZLQSA-N 2 1 287.407 2.385 20 30 CEEDMP COc1cc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)ccc1C#N ZINC000353640464 220211548 /nfs/dbraw/zinc/21/15/48/220211548.db2.gz GXACKNSGXZSOCD-DVOMOZLQSA-N 2 1 287.407 2.385 20 30 CEEDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1cccc(C#N)c1 ZINC000371291052 373832293 /nfs/dbraw/zinc/83/22/93/373832293.db2.gz XMGMLDLODFBEFB-KURKYZTESA-N 2 1 299.418 2.242 20 30 CEEDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1cccc(C#N)c1 ZINC000371291052 373832302 /nfs/dbraw/zinc/83/23/02/373832302.db2.gz XMGMLDLODFBEFB-KURKYZTESA-N 2 1 299.418 2.242 20 30 CEEDMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cccc(C#N)c1 ZINC000275018636 374128514 /nfs/dbraw/zinc/12/85/14/374128514.db2.gz LWNQFFVSFWEWJZ-BBRMVZONSA-N 2 1 257.381 2.330 20 30 CEEDMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cccc(C#N)c1 ZINC000275018636 374128519 /nfs/dbraw/zinc/12/85/19/374128519.db2.gz LWNQFFVSFWEWJZ-BBRMVZONSA-N 2 1 257.381 2.330 20 30 CEEDMP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cccc(C#N)c1 ZINC000275018636 374128527 /nfs/dbraw/zinc/12/85/27/374128527.db2.gz LWNQFFVSFWEWJZ-BBRMVZONSA-N 2 1 257.381 2.330 20 30 CEEDMP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cccc(C#N)c1 ZINC000275018636 374128531 /nfs/dbraw/zinc/12/85/31/374128531.db2.gz LWNQFFVSFWEWJZ-BBRMVZONSA-N 2 1 257.381 2.330 20 30 CEEDMP C=CCC[C@@H](O)C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374075566 374481838 /nfs/dbraw/zinc/48/18/38/374481838.db2.gz VHIPNBFCSYWJLL-OAHLLOKOSA-N 2 1 266.429 2.121 20 30 CEEDMP C[C@H]1C[N@@H+](CCCNCc2ccc(C#N)s2)CCCO1 ZINC000277956806 374694335 /nfs/dbraw/zinc/69/43/35/374694335.db2.gz RUUMMMRQBRDBEG-ZDUSSCGKSA-N 2 1 293.436 2.210 20 30 CEEDMP C[C@H]1CN(CCC[NH2+]Cc2ccc(C#N)s2)CCCO1 ZINC000277956806 374694339 /nfs/dbraw/zinc/69/43/39/374694339.db2.gz RUUMMMRQBRDBEG-ZDUSSCGKSA-N 2 1 293.436 2.210 20 30 CEEDMP C[C@H]1C[N@H+](CCC[NH2+]Cc2ccc(C#N)s2)CCCO1 ZINC000277956806 374694345 /nfs/dbraw/zinc/69/43/45/374694345.db2.gz RUUMMMRQBRDBEG-ZDUSSCGKSA-N 2 1 293.436 2.210 20 30 CEEDMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2ccc(C#N)s2)CCCO1 ZINC000277956806 374694350 /nfs/dbraw/zinc/69/43/50/374694350.db2.gz RUUMMMRQBRDBEG-ZDUSSCGKSA-N 2 1 293.436 2.210 20 30 CEEDMP COc1cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)ccc1C#N ZINC000318500871 376813751 /nfs/dbraw/zinc/81/37/51/376813751.db2.gz XVULYKYYRONRAR-IRXDYDNUSA-N 2 1 299.418 2.483 20 30 CEEDMP COc1cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)ccc1C#N ZINC000318500871 376813755 /nfs/dbraw/zinc/81/37/55/376813755.db2.gz XVULYKYYRONRAR-IRXDYDNUSA-N 2 1 299.418 2.483 20 30 CEEDMP COc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)ccc1C#N ZINC000318500871 376813760 /nfs/dbraw/zinc/81/37/60/376813760.db2.gz XVULYKYYRONRAR-IRXDYDNUSA-N 2 1 299.418 2.483 20 30 CEEDMP COc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)ccc1C#N ZINC000318500871 376813762 /nfs/dbraw/zinc/81/37/62/376813762.db2.gz XVULYKYYRONRAR-IRXDYDNUSA-N 2 1 299.418 2.483 20 30 CEEDMP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000436289864 377822479 /nfs/dbraw/zinc/82/24/79/377822479.db2.gz IKPZYESMSCNASW-JKJDWNRSSA-N 2 1 266.429 2.286 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000295042308 378035489 /nfs/dbraw/zinc/03/54/89/378035489.db2.gz POWGUQAYWVKKRZ-AWEZNQCLSA-N 2 1 255.365 2.164 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000295042308 378035493 /nfs/dbraw/zinc/03/54/93/378035493.db2.gz POWGUQAYWVKKRZ-AWEZNQCLSA-N 2 1 255.365 2.164 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)[C@@H](OC)c1ccccc1 ZINC000295042294 378035531 /nfs/dbraw/zinc/03/55/31/378035531.db2.gz POOOEJLXMGASEO-DOTOQJQBSA-N 2 1 274.408 2.307 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)[C@@H](OC)c1ccccc1 ZINC000295042294 378035537 /nfs/dbraw/zinc/03/55/37/378035537.db2.gz POOOEJLXMGASEO-DOTOQJQBSA-N 2 1 274.408 2.307 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc2c(c1)COC2 ZINC000295106748 378041937 /nfs/dbraw/zinc/04/19/37/378041937.db2.gz WVDHWXRDTGIVHM-AWEZNQCLSA-N 2 1 272.392 2.323 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc2c(c1)COC2 ZINC000295106748 378041940 /nfs/dbraw/zinc/04/19/40/378041940.db2.gz WVDHWXRDTGIVHM-AWEZNQCLSA-N 2 1 272.392 2.323 20 30 CEEDMP COCC[N@@H+](C)CCCC1CC[NH+](CC2(C#N)CC2)CC1 ZINC000347483639 533312909 /nfs/dbraw/zinc/31/29/09/533312909.db2.gz QAVCSQFIMXKVNH-UHFFFAOYSA-N 2 1 293.455 2.361 20 30 CEEDMP Cc1[nH+]ccn1CCCCNC(=[NH2+])N1CCC(C)CC1 ZINC000267476364 394681106 /nfs/dbraw/zinc/68/11/06/394681106.db2.gz ZGWKEJOIKPMTIC-UHFFFAOYSA-N 2 1 277.416 2.018 20 30 CEEDMP C=CCCOCC[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000362309842 394852585 /nfs/dbraw/zinc/85/25/85/394852585.db2.gz NYKBQXMUQWFGOI-IXDOHACOSA-N 2 1 296.455 2.058 20 30 CEEDMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H](C#N)C2)[C@H](C)C1 ZINC000339097240 394943307 /nfs/dbraw/zinc/94/33/07/394943307.db2.gz XDSKYPYBZBHPGY-VQHPVUNQSA-N 2 1 293.455 2.405 20 30 CEEDMP Cc1[nH+]ccn1CCC[N@H+](C)CCCSCC#N ZINC000136292455 394970436 /nfs/dbraw/zinc/97/04/36/394970436.db2.gz NDZAHKMVZYAVPE-UHFFFAOYSA-N 2 1 266.414 2.160 20 30 CEEDMP Cc1[nH+]ccn1CCC[N@@H+](C)CCCSCC#N ZINC000136292455 394970439 /nfs/dbraw/zinc/97/04/39/394970439.db2.gz NDZAHKMVZYAVPE-UHFFFAOYSA-N 2 1 266.414 2.160 20 30 CEEDMP C[C@@H]1C[NH+](CC2CC[NH+](CC3(C#N)CC3)CC2)C[C@@H](C)O1 ZINC000343318093 395037054 /nfs/dbraw/zinc/03/70/54/395037054.db2.gz WKTKIOFDNPMXPC-HUUCEWRRSA-N 2 1 291.439 2.111 20 30 CEEDMP Cc1cc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)ccc1C#N ZINC000443971890 395408317 /nfs/dbraw/zinc/40/83/17/395408317.db2.gz WOXOKRXZOQDUGM-HNNXBMFYSA-N 2 1 269.392 2.441 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000647792873 395755442 /nfs/dbraw/zinc/75/54/42/395755442.db2.gz CJPQRPNQOQSYNS-ZMSDIMECSA-N 3 1 277.456 2.005 20 30 CEEDMP C=CCOc1ccccc1C[N@@H+]1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000650714817 401004462 /nfs/dbraw/zinc/00/44/62/401004462.db2.gz DMTDOLLWGOZOGC-NVXWUHKLSA-N 2 1 290.407 2.047 20 30 CEEDMP C=CCOc1ccccc1C[N@H+]1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000650714817 401004465 /nfs/dbraw/zinc/00/44/65/401004465.db2.gz DMTDOLLWGOZOGC-NVXWUHKLSA-N 2 1 290.407 2.047 20 30 CEEDMP C=CC[C@H]1CC[C@@H]([NH2+]C2CC[NH+](CCOC)CC2)C1 ZINC000651691445 401372644 /nfs/dbraw/zinc/37/26/44/401372644.db2.gz RLSMEXJPVNQXIH-GOEBONIOSA-N 2 1 266.429 2.432 20 30 CEEDMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CCC(C)(C)C#N ZINC000345734976 289334079 /nfs/dbraw/zinc/33/40/79/289334079.db2.gz ZJMGHFZTVICMAD-ILXRZTDVSA-N 2 1 279.428 2.110 20 30 CEEDMP C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)C[N@H+](C)CC ZINC000661114801 415101927 /nfs/dbraw/zinc/10/19/27/415101927.db2.gz MONALUYMTXKCHU-KFWWJZLASA-N 2 1 254.418 2.024 20 30 CEEDMP CN1CCN(c2ccc(N[C@H]3CCC[C@@H](C#N)C3)nc2)CC1 ZINC000185790609 262071487 /nfs/dbraw/zinc/07/14/87/262071487.db2.gz VEZSAJOTMAMSJJ-CABCVRRESA-N 2 1 299.422 2.328 20 30 CEEDMP C=CCc1cc(C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)cc(OC)c1O ZINC000414947760 263155994 /nfs/dbraw/zinc/15/59/94/263155994.db2.gz LHCGDBNJWSCEKY-IUODEOHRSA-N 2 1 290.407 2.359 20 30 CEEDMP C[C@H]1C[NH+](CCC2CC[NH+](CCC#N)CC2)C[C@H](C)O1 ZINC000370206505 267299285 /nfs/dbraw/zinc/29/92/85/267299285.db2.gz BBQXIGCSDKUQRW-GJZGRUSLSA-N 2 1 279.428 2.111 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCc2c1cccc2F ZINC000294978143 275380912 /nfs/dbraw/zinc/38/09/12/275380912.db2.gz KKCQHUOGQUSHEY-MRXNPFEDSA-N 2 1 260.356 2.358 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCc2c1cccc2F ZINC000294978143 275380913 /nfs/dbraw/zinc/38/09/13/275380913.db2.gz KKCQHUOGQUSHEY-MRXNPFEDSA-N 2 1 260.356 2.358 20 30 CEEDMP C=C(C)COCC[NH2+][C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000422994019 330163262 /nfs/dbraw/zinc/16/32/62/330163262.db2.gz UNZKANZEPJGVBZ-ZBFHGGJFSA-N 2 1 262.397 2.127 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCc2ccccc2C1 ZINC000328048820 330290434 /nfs/dbraw/zinc/29/04/34/330290434.db2.gz YVXVVWVZUDRERI-KRWDZBQOSA-N 2 1 256.393 2.089 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCc2ccccc2C1 ZINC000328048820 330290435 /nfs/dbraw/zinc/29/04/35/330290435.db2.gz YVXVVWVZUDRERI-KRWDZBQOSA-N 2 1 256.393 2.089 20 30 CEEDMP C=CCC[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)C1CC1 ZINC000120441761 330387956 /nfs/dbraw/zinc/38/79/56/330387956.db2.gz HKSJBNZEKYUTDU-INIZCTEOSA-N 2 1 266.429 2.168 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000491210192 332166974 /nfs/dbraw/zinc/16/69/74/332166974.db2.gz QYGXADCWLBRFKL-YESZJQIVSA-N 2 1 278.440 2.126 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000491210192 332166975 /nfs/dbraw/zinc/16/69/75/332166975.db2.gz QYGXADCWLBRFKL-YESZJQIVSA-N 2 1 278.440 2.126 20 30 CEEDMP C=CCOc1cccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)c1 ZINC000347040589 526899685 /nfs/dbraw/zinc/89/96/85/526899685.db2.gz KRZOVJPKHASBFS-CZUORRHYSA-N 2 1 260.381 2.421 20 30 CEEDMP C=CCOc1ccccc1C[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000347145715 526933305 /nfs/dbraw/zinc/93/33/05/526933305.db2.gz YBDIDCVRTKLFTE-UKRRQHHQSA-N 2 1 260.381 2.421 20 30 CEEDMP C=CCOc1ccccc1C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000347145715 526933312 /nfs/dbraw/zinc/93/33/12/526933312.db2.gz YBDIDCVRTKLFTE-UKRRQHHQSA-N 2 1 260.381 2.421 20 30 CEEDMP C=CCCC[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000344773309 527199119 /nfs/dbraw/zinc/19/91/19/527199119.db2.gz ONYCLUCDWURLGG-CALCHBBNSA-N 2 1 279.472 2.443 20 30 CEEDMP C=C[C@@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000353563689 527440151 /nfs/dbraw/zinc/44/01/51/527440151.db2.gz GBCCAITUKPVGTN-OOKSDGMUSA-N 2 1 286.419 2.319 20 30 CEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C[C@H]1C ZINC000947551588 613791323 /nfs/dbraw/zinc/79/13/23/613791323.db2.gz MTHJODTWWYXJBN-HIFRSBDPSA-N 2 1 298.390 2.103 20 30 CEEDMP C#CCC1([NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CCC1 ZINC000933294066 623610055 /nfs/dbraw/zinc/61/00/55/623610055.db2.gz FKDDTUCJFOXGOB-IBGZPJMESA-N 2 1 298.430 2.159 20 30 CEEDMP C#CCC1([NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000933294066 623610059 /nfs/dbraw/zinc/61/00/59/623610059.db2.gz FKDDTUCJFOXGOB-IBGZPJMESA-N 2 1 298.430 2.159 20 30 CEEDMP C[C@@H](CNC(=[NH2+])NC1CCCCC1)[N@H+]1CCC[C@@H](C)C1 ZINC000104167955 624320191 /nfs/dbraw/zinc/32/01/91/624320191.db2.gz NMBZDRLBSGQQHA-KGLIPLIRSA-N 2 1 280.460 2.344 20 30 CEEDMP CC(C)Oc1ccc(NC(=[NH2+])NC[C@@H]2CC[N@@H+](C)C2)cc1 ZINC000104172225 624320361 /nfs/dbraw/zinc/32/03/61/624320361.db2.gz GZFJRNMRCQQPGP-ZDUSSCGKSA-N 2 1 290.411 2.152 20 30 CEEDMP C#CCCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000820825312 634542259 /nfs/dbraw/zinc/54/22/59/634542259.db2.gz ZOXZJUNVEMMHEO-MQVJKMGUSA-N 2 1 264.413 2.021 20 30 CEEDMP C=CC[NH+]1CCC(N[C@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000902347395 634586239 /nfs/dbraw/zinc/58/62/39/634586239.db2.gz UBNXJVNYJZPWMU-HNNXBMFYSA-N 2 1 265.445 2.005 20 30 CEEDMP C=C(C)CN1CCC([NH2+]Cc2cnn(C)c2C2CC2)CC1 ZINC000892881210 627827793 /nfs/dbraw/zinc/82/77/93/627827793.db2.gz RJKLIOANDLFWJX-UHFFFAOYSA-N 2 1 288.439 2.428 20 30 CEEDMP C#CC[NH+](C)CCCN[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000328245080 627870135 /nfs/dbraw/zinc/87/01/35/627870135.db2.gz HZWBALYZYNWHOZ-HKUYNNGSSA-N 2 1 299.462 2.194 20 30 CEEDMP C#CC[N@@H+](C)CCCN[C@H]1C[C@H](C)[NH+](Cc2ccccc2)C1 ZINC000328245080 627870137 /nfs/dbraw/zinc/87/01/37/627870137.db2.gz HZWBALYZYNWHOZ-HKUYNNGSSA-N 2 1 299.462 2.194 20 30 CEEDMP C#CC[N@H+](C)CCCN[C@H]1C[C@H](C)[NH+](Cc2ccccc2)C1 ZINC000328245080 627870140 /nfs/dbraw/zinc/87/01/40/627870140.db2.gz HZWBALYZYNWHOZ-HKUYNNGSSA-N 2 1 299.462 2.194 20 30 CEEDMP C=C(C)C[C@H](CO)[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000925772408 628777778 /nfs/dbraw/zinc/77/77/78/628777778.db2.gz SQLUHVBVJURWTK-ZACQAIPSSA-N 2 1 274.408 2.396 20 30 CEEDMP CC(C)CCNC(=[NH2+])NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000303787128 631091658 /nfs/dbraw/zinc/09/16/58/631091658.db2.gz SCSSVCUHJSXSSW-AWEZNQCLSA-N 2 1 292.427 2.367 20 30 CEEDMP C#Cc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](CC)C2)cc1 ZINC000809612001 632110885 /nfs/dbraw/zinc/11/08/85/632110885.db2.gz SYCYDKOTSOCKNN-KRWDZBQOSA-N 2 1 256.393 2.489 20 30 CEEDMP C#CC[N@@H+](C)CCCNc1cc(C)[nH+]c2ccc(F)cc12 ZINC000814929766 632932562 /nfs/dbraw/zinc/93/25/62/632932562.db2.gz VZAWVWREOKGFIQ-UHFFFAOYSA-N 2 1 285.366 2.471 20 30 CEEDMP C=CCc1cc(C[NH2+][C@@H]2CCC[C@H]2[NH3+])cc(OC)c1OC ZINC000817908893 633767637 /nfs/dbraw/zinc/76/76/37/633767637.db2.gz IOZGHCKDMCQOIU-HUUCEWRRSA-N 2 1 290.407 2.402 20 30 CEEDMP N#CC1CCC(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)CC1 ZINC000903479348 635148603 /nfs/dbraw/zinc/14/86/03/635148603.db2.gz UQQJZUOWXYHKFG-FIYWTHMPSA-N 2 1 289.345 2.385 20 30 CEEDMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)Cc1cc(C#N)cs1 ZINC000903825910 635293325 /nfs/dbraw/zinc/29/33/25/635293325.db2.gz DWIUDNSSLFTEBM-LBPRGKRZSA-N 2 1 263.410 2.441 20 30 CEEDMP C#CCCCCCC[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000876715357 650408944 /nfs/dbraw/zinc/40/89/44/650408944.db2.gz MQCWZEQHWWRFDY-GOSISDBHSA-N 2 1 291.483 2.282 20 30 CEEDMP C#CCOc1ccccc1C[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000044534382 639323444 /nfs/dbraw/zinc/32/34/44/639323444.db2.gz IGBZPZCSSGFOOX-HNNXBMFYSA-N 2 1 272.392 2.130 20 30 CEEDMP C#CCOc1ccccc1C[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000044534382 639323449 /nfs/dbraw/zinc/32/34/49/639323449.db2.gz IGBZPZCSSGFOOX-HNNXBMFYSA-N 2 1 272.392 2.130 20 30 CEEDMP C[C@H](CCC#N)C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000877030600 650538210 /nfs/dbraw/zinc/53/82/10/650538210.db2.gz GOKZXPTXDBFQFV-ZBFHGGJFSA-N 2 1 279.428 2.159 20 30 CEEDMP C=CC[N@@H+]1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@H]1C ZINC000993609406 640659205 /nfs/dbraw/zinc/65/92/05/640659205.db2.gz BNQFRWYMNCPQDP-CJNGLKHVSA-N 2 1 298.390 2.103 20 30 CEEDMP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H]1C ZINC000994404735 640831696 /nfs/dbraw/zinc/83/16/96/640831696.db2.gz HCDVRPHBGFIKEI-JKSUJKDBSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H]1C ZINC000994404735 640831699 /nfs/dbraw/zinc/83/16/99/640831699.db2.gz HCDVRPHBGFIKEI-JKSUJKDBSA-N 2 1 293.455 2.018 20 30 CEEDMP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1cc(C#N)ccc1F ZINC000925478687 641124885 /nfs/dbraw/zinc/12/48/85/641124885.db2.gz WHOFLNNAVXOUPF-OCZCAGDBSA-N 2 1 273.355 2.127 20 30 CEEDMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1cc(C#N)ccc1F ZINC000925478687 641124887 /nfs/dbraw/zinc/12/48/87/641124887.db2.gz WHOFLNNAVXOUPF-OCZCAGDBSA-N 2 1 273.355 2.127 20 30 CEEDMP CCCCCCCCNC(=[NH2+])NC[C@@H](C)[NH+](C)C ZINC000848996736 642216749 /nfs/dbraw/zinc/21/67/49/642216749.db2.gz VRCLDTAUXXRUJG-CYBMUJFWSA-N 2 1 256.438 2.411 20 30 CEEDMP C[NH+]=C(NC[C@H]1CCC[N@H+]1CC1CCCCC1)NC1CC1 ZINC000849076283 642260528 /nfs/dbraw/zinc/26/05/28/642260528.db2.gz CJZRJYICPMPSLT-MRXNPFEDSA-N 2 1 292.471 2.359 20 30 CEEDMP Cc1cc(C#N)cc(C)c1C[NH2+]CCc1c[nH+]cn1C ZINC000922274282 642993567 /nfs/dbraw/zinc/99/35/67/642993567.db2.gz VSTARXQZVIPWRJ-UHFFFAOYSA-N 2 1 268.364 2.241 20 30 CEEDMP C=CC[N@H+](Cc1cccs1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923301356 643649384 /nfs/dbraw/zinc/64/93/84/643649384.db2.gz FXVXPWQYCPMPRJ-CYBMUJFWSA-N 2 1 278.421 2.115 20 30 CEEDMP Cc1cc(C#N)cc(C)c1C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923480733 643731724 /nfs/dbraw/zinc/73/17/24/643731724.db2.gz ZYAQBXAWKZSWGD-CQSZACIVSA-N 2 1 257.381 2.346 20 30 CEEDMP Cc1cc(C[NH+]2CC[C@H]3[C@@H](CC[N@H+]3C)C2)ccc1C#N ZINC000877740655 650884764 /nfs/dbraw/zinc/88/47/64/650884764.db2.gz KXXYARNIHZRFRQ-IRXDYDNUSA-N 2 1 269.392 2.393 20 30 CEEDMP Cc1cc(C[NH+]2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)ccc1C#N ZINC000877740655 650884767 /nfs/dbraw/zinc/88/47/67/650884767.db2.gz KXXYARNIHZRFRQ-IRXDYDNUSA-N 2 1 269.392 2.393 20 30 CEEDMP Cc1cc(C[N@@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)ccc1C#N ZINC000877740655 650884768 /nfs/dbraw/zinc/88/47/68/650884768.db2.gz KXXYARNIHZRFRQ-IRXDYDNUSA-N 2 1 269.392 2.393 20 30 CEEDMP Cc1cc(C[N@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)ccc1C#N ZINC000877740655 650884773 /nfs/dbraw/zinc/88/47/73/650884773.db2.gz KXXYARNIHZRFRQ-IRXDYDNUSA-N 2 1 269.392 2.393 20 30 CEEDMP C=CC[C@H](C)[N@H+]1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC000878158774 651018191 /nfs/dbraw/zinc/01/81/91/651018191.db2.gz OEFQZKLRNVFIGE-LSDHHAIUSA-N 2 1 254.418 2.384 20 30 CEEDMP c1nncn1[NH+]=C1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000781115236 647500916 /nfs/dbraw/zinc/50/09/16/647500916.db2.gz KERHYSAQCUFJPD-HZPDHXFCSA-N 2 1 295.390 2.414 20 30 CEEDMP C=CCCCO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000871786351 649185118 /nfs/dbraw/zinc/18/51/18/649185118.db2.gz ZEOIBOCKMVKYPJ-YHWZYXNKSA-N 2 1 251.374 2.324 20 30 CEEDMP C=CCCCO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000871786351 649185119 /nfs/dbraw/zinc/18/51/19/649185119.db2.gz ZEOIBOCKMVKYPJ-YHWZYXNKSA-N 2 1 251.374 2.324 20 30 CEEDMP C=CCC[C@H]([NH2+]C[C@H]1CC[N@H+](CC)C1)[C@H]1CCCO1 ZINC000883173163 652389104 /nfs/dbraw/zinc/38/91/04/652389104.db2.gz DMAGRUIOSKIPFI-OWCLPIDISA-N 2 1 266.429 2.432 20 30 CEEDMP C=CCC[C@H](Cc1ccccc1)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000883187488 652393763 /nfs/dbraw/zinc/39/37/63/652393763.db2.gz OVUOMVAXFWBQOG-IAGOWNOFSA-N 2 1 276.424 2.076 20 30 CEEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)[C@H]1CC ZINC001087523252 805665450 /nfs/dbraw/zinc/66/54/50/805665450.db2.gz OOAPVPXGLXUDJO-ARFHVFGLSA-N 2 1 293.455 2.016 20 30 CEEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)[C@H]1CC ZINC001087523252 805665458 /nfs/dbraw/zinc/66/54/58/805665458.db2.gz OOAPVPXGLXUDJO-ARFHVFGLSA-N 2 1 293.455 2.016 20 30 CEEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)[C@H]1CC ZINC001087523252 805665464 /nfs/dbraw/zinc/66/54/64/805665464.db2.gz OOAPVPXGLXUDJO-ARFHVFGLSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CCCC[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)C(C)C ZINC001271885098 806127652 /nfs/dbraw/zinc/12/76/52/806127652.db2.gz MQVJBKRPCXLROP-CVEARBPZSA-N 2 1 295.471 2.167 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCO[C@H](C(C)(C)C)C1 ZINC000721527306 803309982 /nfs/dbraw/zinc/30/99/82/803309982.db2.gz GELBOEAECLWELO-GJZGRUSLSA-N 2 1 266.429 2.125 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCO[C@H](C(C)(C)C)C1 ZINC000721527306 803309991 /nfs/dbraw/zinc/30/99/91/803309991.db2.gz GELBOEAECLWELO-GJZGRUSLSA-N 2 1 266.429 2.125 20 30 CEEDMP C=C(C)CC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001267749280 803705642 /nfs/dbraw/zinc/70/56/42/803705642.db2.gz KKCDRTSZKSWEAH-OAHLLOKOSA-N 2 1 295.471 2.121 20 30 CEEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001267749280 803705643 /nfs/dbraw/zinc/70/56/43/803705643.db2.gz KKCDRTSZKSWEAH-OAHLLOKOSA-N 2 1 295.471 2.121 20 30 CEEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001267749280 803705647 /nfs/dbraw/zinc/70/56/47/803705647.db2.gz KKCDRTSZKSWEAH-OAHLLOKOSA-N 2 1 295.471 2.121 20 30 CEEDMP C=C(C)C[NH2+]CC1(NC(=O)[C@@H]2CCCC[N@@H+]2C)CCCC1 ZINC001267841668 803769837 /nfs/dbraw/zinc/76/98/37/803769837.db2.gz DDPKBVPOOHPACM-HNNXBMFYSA-N 2 1 293.455 2.065 20 30 CEEDMP C[C@H]1C[C@@H]([NH2+]C2CC(C#N)(c3ccccc3)C2)CC[NH2+]1 ZINC001118121849 814985796 /nfs/dbraw/zinc/98/57/96/814985796.db2.gz JUDIWEPYZMUYBY-OBTMHIKCSA-N 2 1 269.392 2.340 20 30 CEEDMP C=CCCC[NH2+]CC1(CCNC(=O)C[N@H+](C)CCC)CC1 ZINC001167835097 804425331 /nfs/dbraw/zinc/42/53/31/804425331.db2.gz ACCIRIGWXDVJRT-UHFFFAOYSA-N 2 1 295.471 2.171 20 30 CEEDMP C=C(C)CC[N@H+](C)CCN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001268244390 804568824 /nfs/dbraw/zinc/56/88/24/804568824.db2.gz BLIJYDNOFOWNHJ-UHFFFAOYSA-N 2 1 295.471 2.217 20 30 CEEDMP C=CCC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001268748097 804958224 /nfs/dbraw/zinc/95/82/24/804958224.db2.gz DJUAYIGYFINBBQ-HOTGVXAUSA-N 2 1 295.471 2.262 20 30 CEEDMP C=CCC[NH+](C)C[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001268748097 804958227 /nfs/dbraw/zinc/95/82/27/804958227.db2.gz DJUAYIGYFINBBQ-HOTGVXAUSA-N 2 1 295.471 2.262 20 30 CEEDMP C=CCC[NH+](C)C[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001268748097 804958231 /nfs/dbraw/zinc/95/82/31/804958231.db2.gz DJUAYIGYFINBBQ-HOTGVXAUSA-N 2 1 295.471 2.262 20 30 CEEDMP C=CC[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001268797811 804974872 /nfs/dbraw/zinc/97/48/72/804974872.db2.gz YLWOATGNOBDHTD-MRXNPFEDSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)CC[NH+]1CC(NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001031050645 807620421 /nfs/dbraw/zinc/62/04/21/807620421.db2.gz RVYWKAXOXKSJOS-MRXNPFEDSA-N 2 1 293.455 2.016 20 30 CEEDMP C=C(C)CC[NH+]1CC(NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001031050645 807620425 /nfs/dbraw/zinc/62/04/25/807620425.db2.gz RVYWKAXOXKSJOS-MRXNPFEDSA-N 2 1 293.455 2.016 20 30 CEEDMP C=C(C)C[N@H+](CC)Cc1cccc(N2CC[NH2+]CC2)c1 ZINC001235950240 807898436 /nfs/dbraw/zinc/89/84/36/807898436.db2.gz WJXFFIXXOTYKLQ-UHFFFAOYSA-N 2 1 273.424 2.494 20 30 CEEDMP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)C(C)(C)[N@H+](C)CC ZINC001171596959 815202959 /nfs/dbraw/zinc/20/29/59/815202959.db2.gz SKPRRSBKHYDJIB-OAHLLOKOSA-N 2 1 295.471 2.005 20 30 CEEDMP C=C(C)C[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCCN2C)C1 ZINC001034272586 809569634 /nfs/dbraw/zinc/56/96/34/809569634.db2.gz VWEDORXVIMRDOA-HOTGVXAUSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)C[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001034272586 809569636 /nfs/dbraw/zinc/56/96/36/809569636.db2.gz VWEDORXVIMRDOA-HOTGVXAUSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)C[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001034272586 809569639 /nfs/dbraw/zinc/56/96/39/809569639.db2.gz VWEDORXVIMRDOA-HOTGVXAUSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001034272586 809569642 /nfs/dbraw/zinc/56/96/42/809569642.db2.gz VWEDORXVIMRDOA-HOTGVXAUSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)C[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001034272586 809569643 /nfs/dbraw/zinc/56/96/43/809569643.db2.gz VWEDORXVIMRDOA-HOTGVXAUSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CC[NH+]1CCC[C@H]1CN[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172112901 815299638 /nfs/dbraw/zinc/29/96/38/815299638.db2.gz CTHDBIQZWDQSEU-YVSFHVDLSA-N 2 1 277.456 2.242 20 30 CEEDMP C=CC[N@H+]1CCC[C@H]1CN[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172112901 815299643 /nfs/dbraw/zinc/29/96/43/815299643.db2.gz CTHDBIQZWDQSEU-YVSFHVDLSA-N 2 1 277.456 2.242 20 30 CEEDMP C=CC[N@@H+]1CCC[C@H]1CN[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172112901 815299646 /nfs/dbraw/zinc/29/96/46/815299646.db2.gz CTHDBIQZWDQSEU-YVSFHVDLSA-N 2 1 277.456 2.242 20 30 CEEDMP C=CCN1CCC[C@H]1C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172112901 815299648 /nfs/dbraw/zinc/29/96/48/815299648.db2.gz CTHDBIQZWDQSEU-YVSFHVDLSA-N 2 1 277.456 2.242 20 30 CEEDMP C=CCN1CCC[C@H]1C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172112901 815299651 /nfs/dbraw/zinc/29/96/51/815299651.db2.gz CTHDBIQZWDQSEU-YVSFHVDLSA-N 2 1 277.456 2.242 20 30 CEEDMP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001034736174 809678282 /nfs/dbraw/zinc/67/82/82/809678282.db2.gz RSUTZHAMSGEQDA-JYJNAYRXSA-N 2 1 293.455 2.064 20 30 CEEDMP Cc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1C#N ZINC000709937870 809976013 /nfs/dbraw/zinc/97/60/13/809976013.db2.gz SRYYHAZFGANAHS-KRWDZBQOSA-N 2 1 269.392 2.442 20 30 CEEDMP Cc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1C#N ZINC000709937870 809976017 /nfs/dbraw/zinc/97/60/17/809976017.db2.gz SRYYHAZFGANAHS-KRWDZBQOSA-N 2 1 269.392 2.442 20 30 CEEDMP C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC001172306714 815363480 /nfs/dbraw/zinc/36/34/80/815363480.db2.gz ALVUFOIEVILDEU-VBQJREDUSA-N 2 1 271.408 2.419 20 30 CEEDMP C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC001172306714 815363486 /nfs/dbraw/zinc/36/34/86/815363486.db2.gz ALVUFOIEVILDEU-VBQJREDUSA-N 2 1 271.408 2.419 20 30 CEEDMP C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC001172306704 815363619 /nfs/dbraw/zinc/36/36/19/815363619.db2.gz ALVUFOIEVILDEU-CPUCHLNUSA-N 2 1 271.408 2.419 20 30 CEEDMP C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC001172306704 815363623 /nfs/dbraw/zinc/36/36/23/815363623.db2.gz ALVUFOIEVILDEU-CPUCHLNUSA-N 2 1 271.408 2.419 20 30 CEEDMP C=C(C)CC[NH+]1CC[C@](C)(NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001046559034 811776033 /nfs/dbraw/zinc/77/60/33/811776033.db2.gz WYMNUGQKLCBMFP-RDJZCZTQSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)CC[NH+]1CC[C@](C)(NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001046559034 811776038 /nfs/dbraw/zinc/77/60/38/811776038.db2.gz WYMNUGQKLCBMFP-RDJZCZTQSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001046559034 811776042 /nfs/dbraw/zinc/77/60/42/811776042.db2.gz WYMNUGQKLCBMFP-RDJZCZTQSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)CC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001046559034 811776049 /nfs/dbraw/zinc/77/60/49/811776049.db2.gz WYMNUGQKLCBMFP-RDJZCZTQSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCC[C@H](C)[NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001157886477 812513024 /nfs/dbraw/zinc/51/30/24/812513024.db2.gz HWSDKCVDWJFFNI-HOTGVXAUSA-N 2 1 295.471 2.310 20 30 CEEDMP C=C(C)C[N@@H+]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)CC[C@H]1C ZINC001132106360 812787767 /nfs/dbraw/zinc/78/77/67/812787767.db2.gz TYRNYIFSRLZAJV-HUUCEWRRSA-N 2 1 293.455 2.016 20 30 CEEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CCC)CC[C@H]1C ZINC001132435384 812849218 /nfs/dbraw/zinc/84/92/18/812849218.db2.gz CKNXRBWBINOMKO-CVEARBPZSA-N 2 1 295.471 2.264 20 30 CEEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CCC)CC[C@H]1C ZINC001132435384 812849227 /nfs/dbraw/zinc/84/92/27/812849227.db2.gz CKNXRBWBINOMKO-CVEARBPZSA-N 2 1 295.471 2.264 20 30 CEEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CCC)CC[C@H]1C ZINC001132435384 812849235 /nfs/dbraw/zinc/84/92/35/812849235.db2.gz CKNXRBWBINOMKO-CVEARBPZSA-N 2 1 295.471 2.264 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(CC)s1 ZINC000383098296 813093885 /nfs/dbraw/zinc/09/38/85/813093885.db2.gz ZEIMJWSIPCORIL-UHFFFAOYSA-N 2 1 250.411 2.355 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(CC)s1 ZINC000383098296 813093895 /nfs/dbraw/zinc/09/38/95/813093895.db2.gz ZEIMJWSIPCORIL-UHFFFAOYSA-N 2 1 250.411 2.355 20 30 CEEDMP C=CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C(C)(C)[N@H+](C)CC ZINC001134772901 813323682 /nfs/dbraw/zinc/32/36/82/813323682.db2.gz IYWFVKNPIPLTLY-KBPBESRZSA-N 2 1 283.460 2.166 20 30 CEEDMP C=C(C)C[NH2+]CCCNC(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC001170783896 813353070 /nfs/dbraw/zinc/35/30/70/813353070.db2.gz ASVMOVDDSIMZSX-INIZCTEOSA-N 2 1 295.471 2.313 20 30 CEEDMP C=CCCCCCC[C@H](O)C[N@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC001246025661 813664238 /nfs/dbraw/zinc/66/42/38/813664238.db2.gz ZFWFKWVRJBCOGE-QLFBSQMISA-N 2 1 254.418 2.295 20 30 CEEDMP C=CCCCCCC[C@H](O)C[N@@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC001246025661 813664244 /nfs/dbraw/zinc/66/42/44/813664244.db2.gz ZFWFKWVRJBCOGE-QLFBSQMISA-N 2 1 254.418 2.295 20 30 CEEDMP C#Cc1ccc(C[NH+]2C[C@H]3C[NH+](CC)C[C@@H]3C2)cc1 ZINC001144581019 814114706 /nfs/dbraw/zinc/11/47/06/814114706.db2.gz KPWJMSXTYOSQJR-IAGOWNOFSA-N 2 1 254.377 2.051 20 30 CEEDMP C=CCCCCC[NH2+]CCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001171226473 814192363 /nfs/dbraw/zinc/19/23/63/814192363.db2.gz GZERDTYTSJEAHD-MRXNPFEDSA-N 2 1 295.471 2.171 20 30 CEEDMP CC[N@@H+]1C[C@@H]2C[NH+]([C@H](C)Cc3cccc(C#N)c3)C[C@@H]2C1 ZINC001171232616 814202818 /nfs/dbraw/zinc/20/28/18/814202818.db2.gz UNMZZAYNEXIDBA-OLMNPRSZSA-N 2 1 283.419 2.373 20 30 CEEDMP CC[NH+]1C[C@@H]2C[N@H+]([C@H](C)Cc3cccc(C#N)c3)C[C@@H]2C1 ZINC001171232616 814202824 /nfs/dbraw/zinc/20/28/24/814202824.db2.gz UNMZZAYNEXIDBA-OLMNPRSZSA-N 2 1 283.419 2.373 20 30 CEEDMP CC[NH+]1C[C@@H]2C[N@@H+]([C@H](C)Cc3cccc(C#N)c3)C[C@@H]2C1 ZINC001171232616 814202829 /nfs/dbraw/zinc/20/28/29/814202829.db2.gz UNMZZAYNEXIDBA-OLMNPRSZSA-N 2 1 283.419 2.373 20 30 CEEDMP C=CC[NH2+]CCCC[C@H](C)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001171316822 814506916 /nfs/dbraw/zinc/50/69/16/814506916.db2.gz BFECVWUDKXOTPM-HOTGVXAUSA-N 2 1 295.471 2.311 20 30 CEEDMP C=C(C)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C)CCCCC1 ZINC001115450559 814709357 /nfs/dbraw/zinc/70/93/57/814709357.db2.gz FXNDGCVCRNFEAC-OAHLLOKOSA-N 2 1 293.455 2.065 20 30 CEEDMP C=CCO[C@@H]1CC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC001116711532 814877390 /nfs/dbraw/zinc/87/73/90/814877390.db2.gz REBPXPMGEXNWJT-OAHLLOKOSA-N 2 1 252.402 2.139 20 30 CEEDMP C=CCO[C@@H]1CC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC001116711532 814877396 /nfs/dbraw/zinc/87/73/96/814877396.db2.gz REBPXPMGEXNWJT-OAHLLOKOSA-N 2 1 252.402 2.139 20 30 CEEDMP C[N@H+]1CC[C@@H]2C[NH+](Cc3c[nH]c4c3cccc4C#N)C[C@@H]2C1 ZINC001139701787 816088161 /nfs/dbraw/zinc/08/81/61/816088161.db2.gz QTAXLGOEWOSZGT-ZBFHGGJFSA-N 2 1 294.402 2.423 20 30 CEEDMP C[NH+]1CC[C@@H]2C[N@H+](Cc3c[nH]c4c3cccc4C#N)C[C@@H]2C1 ZINC001139701787 816088169 /nfs/dbraw/zinc/08/81/69/816088169.db2.gz QTAXLGOEWOSZGT-ZBFHGGJFSA-N 2 1 294.402 2.423 20 30 CEEDMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3c[nH]c4c3cccc4C#N)C[C@@H]2C1 ZINC001139701787 816088176 /nfs/dbraw/zinc/08/81/76/816088176.db2.gz QTAXLGOEWOSZGT-ZBFHGGJFSA-N 2 1 294.402 2.423 20 30 CEEDMP C=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001174906753 816107569 /nfs/dbraw/zinc/10/75/69/816107569.db2.gz XCEPCMZJDKGOHT-PMPSAXMXSA-N 2 1 295.471 2.167 20 30 CEEDMP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001175256771 816163454 /nfs/dbraw/zinc/16/34/54/816163454.db2.gz OJDPQCVBWDWPQC-CVEARBPZSA-N 2 1 295.471 2.311 20 30 CEEDMP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001176760361 816472693 /nfs/dbraw/zinc/47/26/93/816472693.db2.gz WATDGYGMPWQFMC-OAHLLOKOSA-N 2 1 283.460 2.167 20 30 CEEDMP C=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001176759540 816472894 /nfs/dbraw/zinc/47/28/94/816472894.db2.gz JHVNIVFJIPILQQ-HZPDHXFCSA-N 2 1 295.471 2.311 20 30 CEEDMP N#Cc1cccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)n1 ZINC000602438050 347032454 /nfs/dbraw/zinc/03/24/54/347032454.db2.gz BIIIAMXCPCDNTG-UHFFFAOYSA-N 2 1 284.407 2.261 20 30 CEEDMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CC(C)(C)CC#N ZINC000591770338 345278962 /nfs/dbraw/zinc/27/89/62/345278962.db2.gz VYYZQBAGFXWAIC-MRXNPFEDSA-N 2 1 289.423 2.009 20 30 CEEDMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CC(C)(C)CC#N ZINC000591770338 345278964 /nfs/dbraw/zinc/27/89/64/345278964.db2.gz VYYZQBAGFXWAIC-MRXNPFEDSA-N 2 1 289.423 2.009 20 30 CEEDMP C[C@H]1C[C@H](C[N@H+]2Cc3ccc(C#N)cc3C2)CC[NH2+]1 ZINC000594581061 345650744 /nfs/dbraw/zinc/65/07/44/345650744.db2.gz JDJPCGDHZYTUPX-GXTWGEPZSA-N 2 1 255.365 2.262 20 30 CEEDMP C[N@@H+](CCc1ccc(C#N)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000595886787 345906209 /nfs/dbraw/zinc/90/62/09/345906209.db2.gz YZKROAAHQIVPPZ-SJPCQFCGSA-N 2 1 269.392 2.316 20 30 CEEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1ccc(C#N)cc1 ZINC000596364430 346008203 /nfs/dbraw/zinc/00/82/03/346008203.db2.gz NZLYIDBRZWXMFI-AWEZNQCLSA-N 2 1 274.412 2.242 20 30 CEEDMP CC[C@@H]1C[N@H+](Cc2ccc(C)c(C#N)c2)CC[C@@H]1[NH3+] ZINC000600712224 346676118 /nfs/dbraw/zinc/67/61/18/346676118.db2.gz UYWRFBJNIUKJGO-ZBFHGGJFSA-N 2 1 257.381 2.426 20 30 CEEDMP CC[C@@H]1C[N@@H+](Cc2ccc(C)c(C#N)c2)CC[C@@H]1[NH3+] ZINC000600712224 346676119 /nfs/dbraw/zinc/67/61/19/346676119.db2.gz UYWRFBJNIUKJGO-ZBFHGGJFSA-N 2 1 257.381 2.426 20 30 CEEDMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600718362 346677286 /nfs/dbraw/zinc/67/72/86/346677286.db2.gz WWQBHTLFFWPUGS-CVEARBPZSA-N 2 1 293.455 2.285 20 30 CEEDMP C[NH+]1CCC([C@H]2CC[N@H+](Cc3nc(C#N)cs3)C2)CC1 ZINC000356315560 370655531 /nfs/dbraw/zinc/65/55/31/370655531.db2.gz IGHNTMXWNNFMTK-ZDUSSCGKSA-N 2 1 290.436 2.178 20 30 CEEDMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3nc(C#N)cs3)C2)CC1 ZINC000356315560 370655535 /nfs/dbraw/zinc/65/55/35/370655535.db2.gz IGHNTMXWNNFMTK-ZDUSSCGKSA-N 2 1 290.436 2.178 20 30 CEEDMP N#CCCCC[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000602847254 347222697 /nfs/dbraw/zinc/22/26/97/347222697.db2.gz VCRJKXYODVBBGH-UHFFFAOYSA-N 2 1 258.369 2.288 20 30 CEEDMP CC(C)(C#N)C[C@@H](O)C[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000602953997 347256051 /nfs/dbraw/zinc/25/60/51/347256051.db2.gz FWQHLOLKGGDDCH-OAHLLOKOSA-N 2 1 293.455 2.237 20 30 CEEDMP C=C(C)C[NH+]1CCC(N[C@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000623407468 350011225 /nfs/dbraw/zinc/01/12/25/350011225.db2.gz GYIHVYWXMPUICY-INIZCTEOSA-N 2 1 279.472 2.489 20 30 CEEDMP C=C(C)CN1CCC([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000623407468 350011229 /nfs/dbraw/zinc/01/12/29/350011229.db2.gz GYIHVYWXMPUICY-INIZCTEOSA-N 3 1 279.472 2.489 20 30 CEEDMP C=C(C)CN1CCC([NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000623407468 350011230 /nfs/dbraw/zinc/01/12/30/350011230.db2.gz GYIHVYWXMPUICY-INIZCTEOSA-N 3 1 279.472 2.489 20 30 CEEDMP C#CCOc1ccccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000106868630 186144030 /nfs/dbraw/zinc/14/40/30/186144030.db2.gz SRZHYDSHXIEKFZ-IAGOWNOFSA-N 2 1 284.403 2.415 20 30 CEEDMP C#CCOc1ccccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000106868630 186144031 /nfs/dbraw/zinc/14/40/31/186144031.db2.gz SRZHYDSHXIEKFZ-IAGOWNOFSA-N 2 1 284.403 2.415 20 30 CEEDMP C[C@@H]1C[C@@H]([NH+](C)CCOc2ccccc2C#N)CC[N@@H+]1C ZINC000123122221 187071863 /nfs/dbraw/zinc/07/18/63/187071863.db2.gz VABBTQZFYOIVHX-ZBFHGGJFSA-N 2 1 287.407 2.352 20 30 CEEDMP C[C@@H]1C[C@@H]([NH+](C)CCOc2ccccc2C#N)CC[N@H+]1C ZINC000123122221 187071864 /nfs/dbraw/zinc/07/18/64/187071864.db2.gz VABBTQZFYOIVHX-ZBFHGGJFSA-N 2 1 287.407 2.352 20 30 CEEDMP C[C@@H]1C[C@@H]([N@H+](C)CCOc2ccccc2C#N)CC[NH+]1C ZINC000123122221 187071865 /nfs/dbraw/zinc/07/18/65/187071865.db2.gz VABBTQZFYOIVHX-ZBFHGGJFSA-N 2 1 287.407 2.352 20 30 CEEDMP C[C@@H]1C[C@@H]([N@@H+](C)CCOc2ccccc2C#N)CC[NH+]1C ZINC000123122221 187071866 /nfs/dbraw/zinc/07/18/66/187071866.db2.gz VABBTQZFYOIVHX-ZBFHGGJFSA-N 2 1 287.407 2.352 20 30 CEEDMP CC[N@H+](C)C[C@H]1CC[NH+](CCOc2cccc(C#N)c2)C1 ZINC000072857974 363170419 /nfs/dbraw/zinc/17/04/19/363170419.db2.gz VALJLVIZIZJRBH-MRXNPFEDSA-N 2 1 287.407 2.211 20 30 CEEDMP CC[N@@H+](C)C[C@H]1CC[NH+](CCOc2cccc(C#N)c2)C1 ZINC000072857974 363170426 /nfs/dbraw/zinc/17/04/26/363170426.db2.gz VALJLVIZIZJRBH-MRXNPFEDSA-N 2 1 287.407 2.211 20 30 CEEDMP CC[NH+](C)C[C@H]1CC[N@H+](CCOc2cccc(C#N)c2)C1 ZINC000072857974 363170433 /nfs/dbraw/zinc/17/04/33/363170433.db2.gz VALJLVIZIZJRBH-MRXNPFEDSA-N 2 1 287.407 2.211 20 30 CEEDMP CC[NH+](C)C[C@H]1CC[N@@H+](CCOc2cccc(C#N)c2)C1 ZINC000072857974 363170442 /nfs/dbraw/zinc/17/04/42/363170442.db2.gz VALJLVIZIZJRBH-MRXNPFEDSA-N 2 1 287.407 2.211 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](O)CCC(C)C)CC1 ZINC000518517596 260443574 /nfs/dbraw/zinc/44/35/74/260443574.db2.gz DDLVHGJTHAUJLQ-INIZCTEOSA-N 2 1 268.445 2.414 20 30 CEEDMP COCC#CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000677133323 540983616 /nfs/dbraw/zinc/98/36/16/540983616.db2.gz RMQXHOFYJXFYMS-GOSISDBHSA-N 2 1 286.419 2.090 20 30 CEEDMP COCC#CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000677133323 540983619 /nfs/dbraw/zinc/98/36/19/540983619.db2.gz RMQXHOFYJXFYMS-GOSISDBHSA-N 2 1 286.419 2.090 20 30 CEEDMP COCC#CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000677133323 540983620 /nfs/dbraw/zinc/98/36/20/540983620.db2.gz RMQXHOFYJXFYMS-GOSISDBHSA-N 2 1 286.419 2.090 20 30 CEEDMP COCC#CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000677133323 540983623 /nfs/dbraw/zinc/98/36/23/540983623.db2.gz RMQXHOFYJXFYMS-GOSISDBHSA-N 2 1 286.419 2.090 20 30 CEEDMP CCC#C[C@H](C)[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000677478062 541018180 /nfs/dbraw/zinc/01/81/80/541018180.db2.gz KXORWZJIAGPCKY-OKZBNKHCSA-N 2 1 291.483 2.279 20 30 CEEDMP CCC#C[C@H](C)[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000677478062 541018181 /nfs/dbraw/zinc/01/81/81/541018181.db2.gz KXORWZJIAGPCKY-OKZBNKHCSA-N 2 1 291.483 2.279 20 30 CEEDMP N#Cc1ccc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000334992701 364320748 /nfs/dbraw/zinc/32/07/48/364320748.db2.gz KCGVOLCRYVAEPX-INIZCTEOSA-N 2 1 255.365 2.134 20 30 CEEDMP N#Cc1ccc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000334992701 364320753 /nfs/dbraw/zinc/32/07/53/364320753.db2.gz KCGVOLCRYVAEPX-INIZCTEOSA-N 2 1 255.365 2.134 20 30 CEEDMP CC[N@H+]1CC[C@@H]([NH2+]CCOc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000246340105 370948041 /nfs/dbraw/zinc/94/80/41/370948041.db2.gz GVJLDKAWJPGCPV-WMLDXEAASA-N 2 1 287.407 2.257 20 30 CEEDMP C=CCOc1ccc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cc1 ZINC000634999883 369035787 /nfs/dbraw/zinc/03/57/87/369035787.db2.gz BOVWBLRZKKQRPG-UKRRQHHQSA-N 2 1 260.381 2.278 20 30 CEEDMP C[C@@H](C[NH2+]Cc1cc(C#N)n(C)c1)C[NH+]1CCCCC1 ZINC000189589490 369543621 /nfs/dbraw/zinc/54/36/21/369543621.db2.gz RZACGPHNNMPOHV-AWEZNQCLSA-N 2 1 274.412 2.108 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)C[C@@H]2CCCC(=O)N2)CC1 ZINC000638523796 370590127 /nfs/dbraw/zinc/59/01/27/370590127.db2.gz HEPKCJJJFOAYDE-ZBFHGGJFSA-N 2 1 293.455 2.064 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+]CCC[C@@H]2CCO2)CC1 ZINC000638523487 370590402 /nfs/dbraw/zinc/59/04/02/370590402.db2.gz BOIYTOAGPFLHLT-OAHLLOKOSA-N 2 1 252.402 2.186 20 30 CEEDMP COc1ccc(NC(=[NH2+])NCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000264076265 371962923 /nfs/dbraw/zinc/96/29/23/371962923.db2.gz FRLJDGGNUGSMIF-CYBMUJFWSA-N 2 1 290.411 2.154 20 30 CEEDMP C=CCNC(=[NH2+])NCc1ccccc1C[N@H+](C)C(C)C ZINC000264087256 371967416 /nfs/dbraw/zinc/96/74/16/371967416.db2.gz KDIGITBNWBKFGC-UHFFFAOYSA-N 2 1 274.412 2.117 20 30 CEEDMP CC[C@H](C)NC(=[NH2+])NC[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000264117682 371974228 /nfs/dbraw/zinc/97/42/28/371974228.db2.gz TWFOQFIWBBUNAZ-UONOGXRCSA-N 2 1 288.439 2.136 20 30 CEEDMP CC[C@H](C)NC(=[NH2+])NC[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000264117682 371974234 /nfs/dbraw/zinc/97/42/34/371974234.db2.gz TWFOQFIWBBUNAZ-UONOGXRCSA-N 2 1 288.439 2.136 20 30 CEEDMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccc(C#N)cc2)C1 ZINC000269128669 372350749 /nfs/dbraw/zinc/35/07/49/372350749.db2.gz HGSGXQIEAYYUCW-SJORKVTESA-N 2 1 269.392 2.474 20 30 CEEDMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccc(C#N)cc2)C1 ZINC000269128669 372350757 /nfs/dbraw/zinc/35/07/57/372350757.db2.gz HGSGXQIEAYYUCW-SJORKVTESA-N 2 1 269.392 2.474 20 30 CEEDMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccc(C#N)cc2)C1 ZINC000269128669 372350762 /nfs/dbraw/zinc/35/07/62/372350762.db2.gz HGSGXQIEAYYUCW-SJORKVTESA-N 2 1 269.392 2.474 20 30 CEEDMP C=C(C)C[NH+]1CCC(N[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)CC1 ZINC000367613432 373168263 /nfs/dbraw/zinc/16/82/63/373168263.db2.gz FNHXZXSCENXGGJ-KZNAEPCWSA-N 2 1 291.483 2.489 20 30 CEEDMP C#CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000280629231 375266741 /nfs/dbraw/zinc/26/67/41/375266741.db2.gz YTAMLVFQQJMFNV-CALCHBBNSA-N 2 1 254.377 2.074 20 30 CEEDMP C#CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000280629231 375266744 /nfs/dbraw/zinc/26/67/44/375266744.db2.gz YTAMLVFQQJMFNV-CALCHBBNSA-N 2 1 254.377 2.074 20 30 CEEDMP C#CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000280629231 375266748 /nfs/dbraw/zinc/26/67/48/375266748.db2.gz YTAMLVFQQJMFNV-CALCHBBNSA-N 2 1 254.377 2.074 20 30 CEEDMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000399020104 375355456 /nfs/dbraw/zinc/35/54/56/375355456.db2.gz DSDPURPWPGVSAR-CZUORRHYSA-N 2 1 257.381 2.182 20 30 CEEDMP COc1cc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)ccc1C#N ZINC000414786764 375969986 /nfs/dbraw/zinc/96/99/86/375969986.db2.gz UUKYRQUBRRQXBR-SJORKVTESA-N 2 1 299.418 2.388 20 30 CEEDMP N#Cc1csc(C[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)c1 ZINC000328627640 376863799 /nfs/dbraw/zinc/86/37/99/376863799.db2.gz GJVAIRHKWYHKPG-NSHDSACASA-N 2 1 272.377 2.168 20 30 CEEDMP C[N@H+]1CC[C@@]2(CCN(Cc3ccc(C#N)s3)C2)C1 ZINC000292835703 377305023 /nfs/dbraw/zinc/30/50/23/377305023.db2.gz RRPNJCHFTHPBHY-CQSZACIVSA-N 2 1 261.394 2.147 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCCc2ccc(O)cc21 ZINC000294854413 378023748 /nfs/dbraw/zinc/02/37/48/378023748.db2.gz BNPHZIQWLZJQRP-KRWDZBQOSA-N 2 1 272.392 2.314 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCCc2ccc(O)cc21 ZINC000294854413 378023751 /nfs/dbraw/zinc/02/37/51/378023751.db2.gz BNPHZIQWLZJQRP-KRWDZBQOSA-N 2 1 272.392 2.314 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H]2CCSC2)CC1 ZINC000487287574 380084964 /nfs/dbraw/zinc/08/49/64/380084964.db2.gz KMEVSIJFUFJWOY-ZDUSSCGKSA-N 2 1 254.443 2.370 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2cc(C#N)n(C)c2)CC1 ZINC000190977845 130167806 /nfs/dbraw/zinc/16/78/06/130167806.db2.gz ZOBHHXSAPRYMIV-UHFFFAOYSA-N 2 1 272.396 2.027 20 30 CEEDMP Cn1cc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)cc1C#N ZINC000191285754 130216621 /nfs/dbraw/zinc/21/66/21/130216621.db2.gz RNQNEDCSGUXWGP-UHFFFAOYSA-N 2 1 286.423 2.393 20 30 CEEDMP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1)C2 ZINC000329524371 394569598 /nfs/dbraw/zinc/56/95/98/394569598.db2.gz QKGNWMMOHMALBD-FPMFFAJLSA-N 2 1 290.411 2.193 20 30 CEEDMP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)C2 ZINC000329524371 394569604 /nfs/dbraw/zinc/56/96/04/394569604.db2.gz QKGNWMMOHMALBD-FPMFFAJLSA-N 2 1 290.411 2.193 20 30 CEEDMP C=CCC[N@H+](C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000338570409 394923278 /nfs/dbraw/zinc/92/32/78/394923278.db2.gz IJAZOLIJKVDUEG-QGZVFWFLSA-N 2 1 274.408 2.131 20 30 CEEDMP C=CCC[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000338570409 394923282 /nfs/dbraw/zinc/92/32/82/394923282.db2.gz IJAZOLIJKVDUEG-QGZVFWFLSA-N 2 1 274.408 2.131 20 30 CEEDMP C=CCC[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000338570409 394923284 /nfs/dbraw/zinc/92/32/84/394923284.db2.gz IJAZOLIJKVDUEG-QGZVFWFLSA-N 2 1 274.408 2.131 20 30 CEEDMP C=CCC[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000338570409 394923289 /nfs/dbraw/zinc/92/32/89/394923289.db2.gz IJAZOLIJKVDUEG-QGZVFWFLSA-N 2 1 274.408 2.131 20 30 CEEDMP C=CCC[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000338570409 394923291 /nfs/dbraw/zinc/92/32/91/394923291.db2.gz IJAZOLIJKVDUEG-QGZVFWFLSA-N 2 1 274.408 2.131 20 30 CEEDMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)[C@H](C)C1 ZINC000339097239 394943339 /nfs/dbraw/zinc/94/33/39/394943339.db2.gz XDSKYPYBZBHPGY-TWMKSMIVSA-N 2 1 293.455 2.405 20 30 CEEDMP C#Cc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000290089047 395094281 /nfs/dbraw/zinc/09/42/81/395094281.db2.gz MOQOKHYHLQUXSM-INIZCTEOSA-N 2 1 254.377 2.242 20 30 CEEDMP C[N@H+]1CC[C@@H](CNC(=[NH2+])Nc2cccc3c2CCCC3)C1 ZINC000178421892 395167468 /nfs/dbraw/zinc/16/74/68/395167468.db2.gz NPXZJRVCCLLIQG-ZDUSSCGKSA-N 2 1 286.423 2.244 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)CCCc1cccnc1 ZINC000491543841 395670043 /nfs/dbraw/zinc/67/00/43/395670043.db2.gz ISQVXHXVYKCIQZ-INIZCTEOSA-N 2 1 273.424 2.338 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)CCCc1cccnc1 ZINC000491543841 395670044 /nfs/dbraw/zinc/67/00/44/395670044.db2.gz ISQVXHXVYKCIQZ-INIZCTEOSA-N 2 1 273.424 2.338 20 30 CEEDMP Cn1cc[nH+]c1CC1CC[NH+](Cc2cc(C#N)n(C)c2)CC1 ZINC000191340908 153167154 /nfs/dbraw/zinc/16/71/54/153167154.db2.gz ANOJAQPPABWCMF-UHFFFAOYSA-N 2 1 297.406 2.085 20 30 CEEDMP C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000661116521 415102208 /nfs/dbraw/zinc/10/22/08/415102208.db2.gz YRMLAGKTZSNYTN-KBMXLJTQSA-N 2 1 266.429 2.166 20 30 CEEDMP C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000661116521 415102212 /nfs/dbraw/zinc/10/22/12/415102212.db2.gz YRMLAGKTZSNYTN-KBMXLJTQSA-N 2 1 266.429 2.166 20 30 CEEDMP C[NH+]1CCC(Oc2ccc(C[NH2+]CCC#N)cc2)CC1 ZINC000570922397 327634234 /nfs/dbraw/zinc/63/42/34/327634234.db2.gz TXNRBVTUBOPZMO-UHFFFAOYSA-N 2 1 273.380 2.163 20 30 CEEDMP C=CCOc1ccc(C[NH2+][C@H](C[NH3+])C2CC2)cc1OC ZINC000414814187 328232650 /nfs/dbraw/zinc/23/26/50/328232650.db2.gz ZCBPEDNYFOQFOT-CQSZACIVSA-N 2 1 276.380 2.087 20 30 CEEDMP C[NH+](C)Cc1ccc(C[NH2+]C[C@@H](C#N)CCC#N)cc1 ZINC000582681584 329127900 /nfs/dbraw/zinc/12/79/00/329127900.db2.gz FFYJQMSLFMWNDE-MRXNPFEDSA-N 2 1 270.380 2.281 20 30 CEEDMP CC[NH+]1CCN([C@@H]2CC[N@@H+](CCCC(C)(C)C#N)C2)CC1 ZINC000175212884 329166626 /nfs/dbraw/zinc/16/66/26/329166626.db2.gz FBGCNHAFZZKXCU-MRXNPFEDSA-N 2 1 292.471 2.028 20 30 CEEDMP CCc1ccc(NC(=[NH2+])N[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000262443773 330013319 /nfs/dbraw/zinc/01/33/19/330013319.db2.gz BXCSJEHTEMSOEB-CQSZACIVSA-N 2 1 283.379 2.187 20 30 CEEDMP C[C@@H]1C[NH+]=C(NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)N1 ZINC000262682518 330026790 /nfs/dbraw/zinc/02/67/90/330026790.db2.gz WWAIJJBAJOCXLB-DYEKYZERSA-N 2 1 292.452 2.068 20 30 CEEDMP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000423093496 330169561 /nfs/dbraw/zinc/16/95/61/330169561.db2.gz HSWQXUBYLIGTGH-ZOWXZIJZSA-N 2 1 261.369 2.126 20 30 CEEDMP CC(C)(CCC#N)C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000423130002 330171513 /nfs/dbraw/zinc/17/15/13/330171513.db2.gz RQDZTOQGICPABC-RRFJBIMHSA-N 2 1 279.428 2.063 20 30 CEEDMP C[N@H+]1CCCN(CCC[NH2+]C2CCC(C)(C#N)CC2)CC1 ZINC000451123826 331016478 /nfs/dbraw/zinc/01/64/78/331016478.db2.gz BISCAYMNRTUKDR-UHFFFAOYSA-N 2 1 292.471 2.076 20 30 CEEDMP C=C(C)[C@@H]1OCC[C@H]1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459521136 331285726 /nfs/dbraw/zinc/28/57/26/331285726.db2.gz DCEJIZIYAHMVLG-BBRMVZONSA-N 2 1 264.413 2.184 20 30 CEEDMP CC[N@H+]1CC[C@@H]([NH+](C)CCCSCC#N)[C@@H](C)C1 ZINC000247338378 334279343 /nfs/dbraw/zinc/27/93/43/334279343.db2.gz ZOZTXVMGDPRNDJ-UONOGXRCSA-N 2 1 269.458 2.295 20 30 CEEDMP CC[NH+]1CC[C@@H]([N@H+](C)CCCSCC#N)[C@@H](C)C1 ZINC000247338378 334279344 /nfs/dbraw/zinc/27/93/44/334279344.db2.gz ZOZTXVMGDPRNDJ-UONOGXRCSA-N 2 1 269.458 2.295 20 30 CEEDMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCSCC#N)[C@@H](C)C1 ZINC000247338378 334279345 /nfs/dbraw/zinc/27/93/45/334279345.db2.gz ZOZTXVMGDPRNDJ-UONOGXRCSA-N 2 1 269.458 2.295 20 30 CEEDMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cnc3ccc(C#N)cn23)C1 ZINC000123427966 528262581 /nfs/dbraw/zinc/26/25/81/528262581.db2.gz UGFXFTIOMLYZAI-OAHLLOKOSA-N 2 1 297.406 2.027 20 30 CEEDMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cnc3ccc(C#N)cn23)C1 ZINC000123427966 528262587 /nfs/dbraw/zinc/26/25/87/528262587.db2.gz UGFXFTIOMLYZAI-OAHLLOKOSA-N 2 1 297.406 2.027 20 30 CEEDMP CC(C)[N@@H+]1CC[C@H](C[NH2+]CC#Cc2ccccc2)C1 ZINC000051814408 624595165 /nfs/dbraw/zinc/59/51/65/624595165.db2.gz WZTDVFZGKRLPML-QGZVFWFLSA-N 2 1 256.393 2.358 20 30 CEEDMP CC(C)[N@H+]1CC[C@H](C[NH2+]CC#Cc2ccccc2)C1 ZINC000051814408 624595169 /nfs/dbraw/zinc/59/51/69/624595169.db2.gz WZTDVFZGKRLPML-QGZVFWFLSA-N 2 1 256.393 2.358 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1C[C@H](OCC)C12CCCC2 ZINC000328138770 627859355 /nfs/dbraw/zinc/85/93/55/627859355.db2.gz ZKXPPJBNBXIYOW-HOTGVXAUSA-N 2 1 278.440 2.269 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1C[C@H](OCC)C12CCCC2 ZINC000328138770 627859357 /nfs/dbraw/zinc/85/93/57/627859357.db2.gz ZKXPPJBNBXIYOW-HOTGVXAUSA-N 2 1 278.440 2.269 20 30 CEEDMP Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)cc1C#N ZINC000925841927 628944844 /nfs/dbraw/zinc/94/48/44/628944844.db2.gz VBHBILKKUGFUHH-KSZLIROESA-N 2 1 299.418 2.113 20 30 CEEDMP CC[NH+]=C(NCCn1cc[nH+]c1C)N1CC[C@@](C)(CC)C1 ZINC000261864983 629287778 /nfs/dbraw/zinc/28/77/78/629287778.db2.gz ZXICNIIOBZLGKA-MRXNPFEDSA-N 2 1 291.443 2.279 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CS[C@@H](C(C)C)C1 ZINC000894862490 629702563 /nfs/dbraw/zinc/70/25/63/629702563.db2.gz BIZVDPVPYYUBBH-ZIAGYGMSSA-N 2 1 254.443 2.061 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CS[C@@H](C(C)C)C1 ZINC000894862490 629702568 /nfs/dbraw/zinc/70/25/68/629702568.db2.gz BIZVDPVPYYUBBH-ZIAGYGMSSA-N 2 1 254.443 2.061 20 30 CEEDMP CC[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1cccc(C#N)c1 ZINC000902761839 634815750 /nfs/dbraw/zinc/81/57/50/634815750.db2.gz ASPKEXCVWYYEII-DLBZAZTESA-N 2 1 287.407 2.056 20 30 CEEDMP C[C@H](C#N)Oc1ccc(C[NH2+]CCC[NH+](C)C)cc1 ZINC000237453101 631678793 /nfs/dbraw/zinc/67/87/93/631678793.db2.gz UCEYGQKUSRVOJO-CYBMUJFWSA-N 2 1 261.369 2.019 20 30 CEEDMP C=C(CC[NH+](C)C)C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000900214631 633595491 /nfs/dbraw/zinc/59/54/91/633595491.db2.gz GJUMNMFAGDNIAM-HNNXBMFYSA-N 2 1 295.471 2.123 20 30 CEEDMP CC(C)[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000817958066 633801027 /nfs/dbraw/zinc/80/10/27/633801027.db2.gz GWYBYQXJSWNNNY-DOMZBBRYSA-N 2 1 261.369 2.223 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000819023581 634043113 /nfs/dbraw/zinc/04/31/13/634043113.db2.gz GVTRQNKJOOCZSC-SFHVURJKSA-N 2 1 299.418 2.222 20 30 CEEDMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cc(C#N)ccn1 ZINC000903017379 634927340 /nfs/dbraw/zinc/92/73/40/634927340.db2.gz SGGDVIGTMXQFHA-ZDUSSCGKSA-N 2 1 272.396 2.478 20 30 CEEDMP N#CC1CCC(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000903453912 635137019 /nfs/dbraw/zinc/13/70/19/635137019.db2.gz PEISFWAXVZJYBA-UYSNPLJNSA-N 2 1 261.413 2.392 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+]C1CCc2ccccc2CC1 ZINC000834814212 637957959 /nfs/dbraw/zinc/95/79/59/637957959.db2.gz HBFMAUMGWGEKMK-UHFFFAOYSA-N 2 1 270.420 2.479 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+]C1CCc2ccccc2CC1 ZINC000834814212 637957961 /nfs/dbraw/zinc/95/79/61/637957961.db2.gz HBFMAUMGWGEKMK-UHFFFAOYSA-N 2 1 270.420 2.479 20 30 CEEDMP CC(C)CNC(=[NH2+])NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000083052656 642042325 /nfs/dbraw/zinc/04/23/25/642042325.db2.gz TUJNSMNZIFNLEJ-OAHLLOKOSA-N 2 1 290.455 2.457 20 30 CEEDMP C=C(C)C[NH2+]C1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000996687031 642127652 /nfs/dbraw/zinc/12/76/52/642127652.db2.gz FGBGZCHFHIHJAV-INIZCTEOSA-N 2 1 293.455 2.018 20 30 CEEDMP C[NH+]=C(NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)NC1CC1 ZINC000848989782 642211193 /nfs/dbraw/zinc/21/11/93/642211193.db2.gz BDBZJYFRJBJABW-OKILXGFUSA-N 2 1 280.460 2.072 20 30 CEEDMP C[N@H+]1CCCC[C@H](CNCc2cc(C#N)cnc2Cl)C1 ZINC000877653198 650834634 /nfs/dbraw/zinc/83/46/34/650834634.db2.gz BQZZZOCIQGVIIO-GFCCVEGCSA-N 2 1 292.814 2.428 20 30 CEEDMP C=CC[C@@H](C)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000878301977 651059538 /nfs/dbraw/zinc/05/95/38/651059538.db2.gz FEIDNTHFOSGLRE-VPSFDDGASA-N 2 1 277.456 2.194 20 30 CEEDMP C#CC[C@@H]1CC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000862446536 646464150 /nfs/dbraw/zinc/46/41/50/646464150.db2.gz ADNOPJDTANTMGY-CQSZACIVSA-N 2 1 266.348 2.113 20 30 CEEDMP C#CC[C@@H]1CC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000862446536 646464154 /nfs/dbraw/zinc/46/41/54/646464154.db2.gz ADNOPJDTANTMGY-CQSZACIVSA-N 2 1 266.348 2.113 20 30 CEEDMP C[N@@H+](CCc1cccc(C#N)c1)C[C@H]1CCC[NH2+]C1 ZINC000866698224 647872541 /nfs/dbraw/zinc/87/25/41/647872541.db2.gz PRRFTWABQSNSQS-INIZCTEOSA-N 2 1 257.381 2.032 20 30 CEEDMP C=C(Cl)CO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000871785562 649184308 /nfs/dbraw/zinc/18/43/08/649184308.db2.gz VXBDLXCQLYKTIH-FGWVZKOKSA-N 2 1 257.765 2.110 20 30 CEEDMP C=C(Cl)CO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000871785562 649184311 /nfs/dbraw/zinc/18/43/11/649184311.db2.gz VXBDLXCQLYKTIH-FGWVZKOKSA-N 2 1 257.765 2.110 20 30 CEEDMP C=C(C)CCON=C(N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000871784329 649183622 /nfs/dbraw/zinc/18/36/22/649183622.db2.gz AMGNUEXRULMDIM-YHWZYXNKSA-N 2 1 251.374 2.324 20 30 CEEDMP C=C(C)CCO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000871784329 649183623 /nfs/dbraw/zinc/18/36/23/649183623.db2.gz AMGNUEXRULMDIM-YHWZYXNKSA-N 2 1 251.374 2.324 20 30 CEEDMP C=C(C)CCO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000871784329 649183626 /nfs/dbraw/zinc/18/36/26/649183626.db2.gz AMGNUEXRULMDIM-YHWZYXNKSA-N 2 1 251.374 2.324 20 30 CEEDMP C#CCCCC[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000872203553 649314154 /nfs/dbraw/zinc/31/41/54/649314154.db2.gz ZUGAGOLUYVNDGG-SFHVURJKSA-N 2 1 286.419 2.017 20 30 CEEDMP C#CCCCC[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000872203553 649314157 /nfs/dbraw/zinc/31/41/57/649314157.db2.gz ZUGAGOLUYVNDGG-SFHVURJKSA-N 2 1 286.419 2.017 20 30 CEEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)[C@H]1C ZINC001088563351 806420507 /nfs/dbraw/zinc/42/05/07/806420507.db2.gz NHNPKJQEAMDNRT-PMPSAXMXSA-N 2 1 293.455 2.014 20 30 CEEDMP C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)[C@H]1C ZINC001088563351 806420510 /nfs/dbraw/zinc/42/05/10/806420510.db2.gz NHNPKJQEAMDNRT-PMPSAXMXSA-N 2 1 293.455 2.014 20 30 CEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)[C@H]1C ZINC001088563351 806420516 /nfs/dbraw/zinc/42/05/16/806420516.db2.gz NHNPKJQEAMDNRT-PMPSAXMXSA-N 2 1 293.455 2.014 20 30 CEEDMP C=C(C)C[N@H+]1CC[C@](C)(NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001046449418 811755799 /nfs/dbraw/zinc/75/57/99/811755799.db2.gz DKHIRJVNRZDURM-KRWDZBQOSA-N 2 1 298.390 2.105 20 30 CEEDMP C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001266853069 802943066 /nfs/dbraw/zinc/94/30/66/802943066.db2.gz DSSMFULFFXYHET-HZPDHXFCSA-N 2 1 295.471 2.119 20 30 CEEDMP C[C@@H]1C[C@@H]([NH2+]C2CC(C#N)(c3ccccc3)C2)CC[NH2+]1 ZINC001118121851 814986109 /nfs/dbraw/zinc/98/61/09/814986109.db2.gz JUDIWEPYZMUYBY-XNGJBWTFSA-N 2 1 269.392 2.340 20 30 CEEDMP C=C(C)CC[NH2+]CC1(CCNC(=O)C[N@H+](C)CCC)CC1 ZINC001167814755 804360385 /nfs/dbraw/zinc/36/03/85/804360385.db2.gz CQYGJDGIBIMZPM-UHFFFAOYSA-N 2 1 295.471 2.171 20 30 CEEDMP C=C(C)C[NH2+][C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C(C)C ZINC001268212212 804545875 /nfs/dbraw/zinc/54/58/75/804545875.db2.gz IPMLEVYQZAMUQB-HRCADAONSA-N 2 1 295.471 2.023 20 30 CEEDMP C=C(C)C[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001028335517 804718606 /nfs/dbraw/zinc/71/86/06/804718606.db2.gz WRICOSVCOHHHAX-CVEARBPZSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001028335517 804718610 /nfs/dbraw/zinc/71/86/10/804718610.db2.gz WRICOSVCOHHHAX-CVEARBPZSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001028335517 804718615 /nfs/dbraw/zinc/71/86/15/804718615.db2.gz WRICOSVCOHHHAX-CVEARBPZSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CC[NH2+]C[C@@]1(NC(=O)CC[N@H+](C)CC)CCCC[C@H]1C ZINC001269677256 805227705 /nfs/dbraw/zinc/22/77/05/805227705.db2.gz OZFSUHWVMMZGNG-WBVHZDCISA-N 2 1 295.471 2.169 20 30 CEEDMP C#CCOc1ccc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)cc1 ZINC001205102406 807635659 /nfs/dbraw/zinc/63/56/59/807635659.db2.gz RNHXNLPNOFSBRM-OAHLLOKOSA-N 2 1 258.365 2.012 20 30 CEEDMP CCCCCCC[NH2+]CCCNC(=O)C[N@@H+](C)CCC ZINC001171769613 815230128 /nfs/dbraw/zinc/23/01/28/815230128.db2.gz AMZRQVHTAAVHPM-UHFFFAOYSA-N 2 1 285.476 2.395 20 30 CEEDMP C=CCC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCCCN2C)C1 ZINC001034269402 809567645 /nfs/dbraw/zinc/56/76/45/809567645.db2.gz CTIBJIDUNQMFNO-JKSUJKDBSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCC[NH+]1CCCC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001034269402 809567647 /nfs/dbraw/zinc/56/76/47/809567647.db2.gz CTIBJIDUNQMFNO-JKSUJKDBSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCC[NH+]1CCCC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001034269402 809567651 /nfs/dbraw/zinc/56/76/51/809567651.db2.gz CTIBJIDUNQMFNO-JKSUJKDBSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001034269402 809567654 /nfs/dbraw/zinc/56/76/54/809567654.db2.gz CTIBJIDUNQMFNO-JKSUJKDBSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001034269402 809567656 /nfs/dbraw/zinc/56/76/56/809567656.db2.gz CTIBJIDUNQMFNO-JKSUJKDBSA-N 2 1 293.455 2.018 20 30 CEEDMP C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2O)CCC[C@H]1C[NH3+] ZINC001206025018 811709778 /nfs/dbraw/zinc/70/97/78/811709778.db2.gz LYXNYTADCGKXQZ-OCCSQVGLSA-N 2 1 273.380 2.071 20 30 CEEDMP C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2O)CCC[C@H]1C[NH3+] ZINC001206025018 811709779 /nfs/dbraw/zinc/70/97/79/811709779.db2.gz LYXNYTADCGKXQZ-OCCSQVGLSA-N 2 1 273.380 2.071 20 30 CEEDMP C=C(C)C[NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001132790908 812946803 /nfs/dbraw/zinc/94/68/03/812946803.db2.gz MBBUUTFKOAKPLN-INIZCTEOSA-N 2 1 293.455 2.065 20 30 CEEDMP C#CCN(C)CCC[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000385587235 813140420 /nfs/dbraw/zinc/14/04/20/813140420.db2.gz HGYFBSOGDUPRCG-UHFFFAOYSA-N 2 1 266.772 2.090 20 30 CEEDMP C#CC[N@@H+](C)CCCNCc1cccc(F)c1F ZINC000385859230 813146954 /nfs/dbraw/zinc/14/69/54/813146954.db2.gz WNLCSVVXVMOTOU-UHFFFAOYSA-N 2 1 252.308 2.010 20 30 CEEDMP C#CCN(C)CCC[NH2+]Cc1cccc(F)c1F ZINC000385859230 813146959 /nfs/dbraw/zinc/14/69/59/813146959.db2.gz WNLCSVVXVMOTOU-UHFFFAOYSA-N 2 1 252.308 2.010 20 30 CEEDMP C=CCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001134607138 813298064 /nfs/dbraw/zinc/29/80/64/813298064.db2.gz DJOYHVROBZDFGV-LSDHHAIUSA-N 2 1 295.471 2.310 20 30 CEEDMP C=C(C)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C(C)(C)[N@H+](C)CC ZINC001134773738 813323628 /nfs/dbraw/zinc/32/36/28/813323628.db2.gz RCPWYJDOZPDLSK-UONOGXRCSA-N 2 1 283.460 2.166 20 30 CEEDMP C=CCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@H+](C)CCC ZINC001135980591 813577394 /nfs/dbraw/zinc/57/73/94/813577394.db2.gz QHBYDFVEYIKJJK-GJZGRUSLSA-N 2 1 283.460 2.167 20 30 CEEDMP CCCCCCC[C@@H](CC)[NH2+]C[C@H]1C[NH2+]CCN1 ZINC001246488554 813863880 /nfs/dbraw/zinc/86/38/80/813863880.db2.gz KJPUKSNAXJVYTN-HUUCEWRRSA-N 2 1 255.450 2.277 20 30 CEEDMP C=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001171119366 813896854 /nfs/dbraw/zinc/89/68/54/813896854.db2.gz IVSMJNKFOJPGDE-CVEARBPZSA-N 2 1 295.471 2.311 20 30 CEEDMP C#Cc1ccc(C[NH+]2CCC3(CC(N(C)C)=[NH+]O3)CC2)cc1 ZINC001144571783 814119497 /nfs/dbraw/zinc/11/94/97/814119497.db2.gz ICQKTHPBEOCDTH-UHFFFAOYSA-N 2 1 297.402 2.298 20 30 CEEDMP C[C@H](Cc1cccc(C#N)c1)n1cc[nH+]c1CCC[NH3+] ZINC001171204407 814148413 /nfs/dbraw/zinc/14/84/13/814148413.db2.gz XKDDRXIWXDXPNQ-CYBMUJFWSA-N 2 1 268.364 2.450 20 30 CEEDMP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001176164335 816365815 /nfs/dbraw/zinc/36/58/15/816365815.db2.gz ARNZOOPSHXETTP-HOTGVXAUSA-N 2 1 295.471 2.169 20 30 CEEDMP C=CC[NH2+]CCCC[C@@H](C)NC(=O)CC[N@H+](C)CCC ZINC001176258852 816382912 /nfs/dbraw/zinc/38/29/12/816382912.db2.gz WKBNANMYMRJJMG-OAHLLOKOSA-N 2 1 283.460 2.169 20 30 CEEDMP C=CCN(CC[N@H+]1CCC[C@@](C)(C[NH3+])CC1)C(=O)OCC ZINC001206293211 816520641 /nfs/dbraw/zinc/52/06/41/816520641.db2.gz GSPDTZBMXAEXAQ-MRXNPFEDSA-N 2 1 297.443 2.082 20 30 CEEDMP C=CCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)[C@H]1C ZINC001178688415 816781935 /nfs/dbraw/zinc/78/19/35/816781935.db2.gz CCDQWYMHAQLFNG-HRCADAONSA-N 2 1 293.455 2.014 20 30 CEEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000602512996 347062515 /nfs/dbraw/zinc/06/25/15/347062515.db2.gz YUEDWBGMWVJYFN-HUUCEWRRSA-N 2 1 291.439 2.159 20 30 CEEDMP C[C@H](CCC#N)C[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000602541838 347070990 /nfs/dbraw/zinc/07/09/90/347070990.db2.gz RDDLPGNSFCHHHJ-OAHLLOKOSA-N 2 1 279.428 2.161 20 30 CEEDMP C=CCC[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)C1CC1 ZINC000363522619 344810250 /nfs/dbraw/zinc/81/02/50/344810250.db2.gz PZHXMFYAQLZCRU-PMPSAXMXSA-N 2 1 264.413 2.184 20 30 CEEDMP C=CCC[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)C1CC1 ZINC000363522619 344810252 /nfs/dbraw/zinc/81/02/52/344810252.db2.gz PZHXMFYAQLZCRU-PMPSAXMXSA-N 2 1 264.413 2.184 20 30 CEEDMP C[C@H](c1cccc(C#N)c1)[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000592184809 345335339 /nfs/dbraw/zinc/33/53/39/345335339.db2.gz RRVLEBSAXZTAKW-OAHLLOKOSA-N 2 1 299.418 2.416 20 30 CEEDMP C[C@H](c1cccc(C#N)c1)[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000592184809 345335342 /nfs/dbraw/zinc/33/53/42/345335342.db2.gz RRVLEBSAXZTAKW-OAHLLOKOSA-N 2 1 299.418 2.416 20 30 CEEDMP N#Cc1cccc2c1C[N@H+](CC[C@H]1CCC[NH2+]C1)C2 ZINC000593729684 345528545 /nfs/dbraw/zinc/52/85/45/345528545.db2.gz IHNXPVDWNYLKDY-CYBMUJFWSA-N 2 1 255.365 2.264 20 30 CEEDMP N#Cc1cccc2c1C[N@@H+](CC[C@H]1CCC[NH2+]C1)C2 ZINC000593729684 345528546 /nfs/dbraw/zinc/52/85/46/345528546.db2.gz IHNXPVDWNYLKDY-CYBMUJFWSA-N 2 1 255.365 2.264 20 30 CEEDMP N#CC1(c2ccc(C[NH2+]CCC[NH+]3CCC3)cc2)CC1 ZINC000594934762 345708147 /nfs/dbraw/zinc/70/81/47/345708147.db2.gz FZSHRNJMSJKDQO-UHFFFAOYSA-N 2 1 269.392 2.427 20 30 CEEDMP N#Cc1ccc([C@@H](O)C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000156493739 232236861 /nfs/dbraw/zinc/23/68/61/232236861.db2.gz KMBCBMYKLOIDSU-AEFFLSMTSA-N 2 1 299.418 2.009 20 30 CEEDMP N#Cc1ccc([C@@H](O)C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000156493739 232236862 /nfs/dbraw/zinc/23/68/62/232236862.db2.gz KMBCBMYKLOIDSU-AEFFLSMTSA-N 2 1 299.418 2.009 20 30 CEEDMP C[C@]1(C#N)CC[NH+](CCCC[N@H+]2CC[C@](C)(C#N)C2)C1 ZINC000595839699 345894923 /nfs/dbraw/zinc/89/49/23/345894923.db2.gz IGSWASVALQXPFM-HZPDHXFCSA-N 2 1 274.412 2.238 20 30 CEEDMP C[C@]1(C#N)CC[NH+](CCCC[N@@H+]2CC[C@](C)(C#N)C2)C1 ZINC000595839699 345894925 /nfs/dbraw/zinc/89/49/25/345894925.db2.gz IGSWASVALQXPFM-HZPDHXFCSA-N 2 1 274.412 2.238 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(-n2cccn2)cc1 ZINC000295011307 539497883 /nfs/dbraw/zinc/49/78/83/539497883.db2.gz MUGPHRYIKIFOKX-INIZCTEOSA-N 2 1 296.418 2.478 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(-n2cccn2)cc1 ZINC000295011307 539497888 /nfs/dbraw/zinc/49/78/88/539497888.db2.gz MUGPHRYIKIFOKX-INIZCTEOSA-N 2 1 296.418 2.478 20 30 CEEDMP N#Cc1ccc(CC[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000595895805 345909660 /nfs/dbraw/zinc/90/96/60/345909660.db2.gz VTXDJKKJGMMDFS-ZWKOTPCHSA-N 2 1 283.419 2.422 20 30 CEEDMP C[N@H+]1CCC[C@@H]2C[NH+](CCOc3cccc(C#N)c3)CC[C@@H]21 ZINC000129105258 365825479 /nfs/dbraw/zinc/82/54/79/365825479.db2.gz GVQFZXJVLKSFEW-AEFFLSMTSA-N 2 1 299.418 2.353 20 30 CEEDMP C[NH+]1CCC[C@@H]2C[N@H+](CCOc3cccc(C#N)c3)CC[C@@H]21 ZINC000129105258 365825487 /nfs/dbraw/zinc/82/54/87/365825487.db2.gz GVQFZXJVLKSFEW-AEFFLSMTSA-N 2 1 299.418 2.353 20 30 CEEDMP C[NH+]1CCC[C@@H]2C[N@@H+](CCOc3cccc(C#N)c3)CC[C@@H]21 ZINC000129105258 365825490 /nfs/dbraw/zinc/82/54/90/365825490.db2.gz GVQFZXJVLKSFEW-AEFFLSMTSA-N 2 1 299.418 2.353 20 30 CEEDMP Cc1ccc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1C#N ZINC000600707700 346674263 /nfs/dbraw/zinc/67/42/63/346674263.db2.gz ADGAEMOVMZWWIM-KRWDZBQOSA-N 2 1 269.392 2.442 20 30 CEEDMP Cc1ccc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1C#N ZINC000600707700 346674265 /nfs/dbraw/zinc/67/42/65/346674265.db2.gz ADGAEMOVMZWWIM-KRWDZBQOSA-N 2 1 269.392 2.442 20 30 CEEDMP COc1cc(C#N)ccc1C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000602876595 347235274 /nfs/dbraw/zinc/23/52/74/347235274.db2.gz GVTOJVAGKVHAMN-UHFFFAOYSA-N 2 1 299.418 2.485 20 30 CEEDMP N#Cc1cc(CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)ccn1 ZINC000610995108 347729854 /nfs/dbraw/zinc/72/98/54/347729854.db2.gz HQYXALGZFMKMAU-QAPCUYQASA-N 2 1 296.418 2.402 20 30 CEEDMP C=CCC1([NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)CCCCC1 ZINC000625934316 350608664 /nfs/dbraw/zinc/60/86/64/350608664.db2.gz JFDRLEHJLFVGID-OAHLLOKOSA-N 2 1 266.429 2.310 20 30 CEEDMP C=CCC1([NH2+]C[C@@H](O)C[N@H+](C)C2CC2)CCCCC1 ZINC000625934316 350608667 /nfs/dbraw/zinc/60/86/67/350608667.db2.gz JFDRLEHJLFVGID-OAHLLOKOSA-N 2 1 266.429 2.310 20 30 CEEDMP C=CCC1([NH2+]C[C@@H](O)C[N@H+](C)CC)CCCCC1 ZINC000625934773 350608713 /nfs/dbraw/zinc/60/87/13/350608713.db2.gz ZIEGGXAUMYBKMX-CQSZACIVSA-N 2 1 254.418 2.168 20 30 CEEDMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CCCCC#N)CC1 ZINC000069608432 362984048 /nfs/dbraw/zinc/98/40/48/362984048.db2.gz XAGGYIFQTKDKRZ-CALCHBBNSA-N 2 1 292.471 2.171 20 30 CEEDMP C[N@@H+](CCCC1(C#N)CCOCC1)C[C@@H]1CCC[NH+](C)C1 ZINC000337189811 366064525 /nfs/dbraw/zinc/06/45/25/366064525.db2.gz RJOKBAVOEJFYNC-MRXNPFEDSA-N 2 1 293.455 2.361 20 30 CEEDMP C[NH+](CCCC1(C#N)CCOCC1)C[C@@H]1CCC[N@H+](C)C1 ZINC000337189811 366064528 /nfs/dbraw/zinc/06/45/28/366064528.db2.gz RJOKBAVOEJFYNC-MRXNPFEDSA-N 2 1 293.455 2.361 20 30 CEEDMP C[NH+](CCCC1(C#N)CCOCC1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000337189811 366064532 /nfs/dbraw/zinc/06/45/32/366064532.db2.gz RJOKBAVOEJFYNC-MRXNPFEDSA-N 2 1 293.455 2.361 20 30 CEEDMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(OCC#N)cc2)CC[N@H+]1C ZINC000157790467 188339208 /nfs/dbraw/zinc/33/92/08/188339208.db2.gz YMQZKSRGBYQAPV-UKRRQHHQSA-N 2 1 273.380 2.161 20 30 CEEDMP C=CCC[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000132681051 366163601 /nfs/dbraw/zinc/16/36/01/366163601.db2.gz IBCNVNNPRHMGLB-IYBDPMFKSA-N 2 1 265.445 2.053 20 30 CEEDMP N#Cc1ccccc1OCC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150831748 366599895 /nfs/dbraw/zinc/59/98/95/366599895.db2.gz RDYADPBCPXSXNQ-MRXNPFEDSA-N 2 1 299.418 2.355 20 30 CEEDMP N#Cc1ccccc1OCC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150831748 366599901 /nfs/dbraw/zinc/59/99/01/366599901.db2.gz RDYADPBCPXSXNQ-MRXNPFEDSA-N 2 1 299.418 2.355 20 30 CEEDMP N#Cc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1F ZINC000334738433 364251993 /nfs/dbraw/zinc/25/19/93/364251993.db2.gz LJMJJIBNFYDWHA-HUUCEWRRSA-N 2 1 273.355 2.414 20 30 CEEDMP N#Cc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1F ZINC000334738433 364251996 /nfs/dbraw/zinc/25/19/96/364251996.db2.gz LJMJJIBNFYDWHA-HUUCEWRRSA-N 2 1 273.355 2.414 20 30 CEEDMP C[N@@H+](CCOc1ccc(C#N)cc1)C[C@H]1CCC[NH+](C)C1 ZINC000118842608 365181569 /nfs/dbraw/zinc/18/15/69/365181569.db2.gz XAPCWVBNUGQTMK-INIZCTEOSA-N 2 1 287.407 2.211 20 30 CEEDMP C[NH+](CCOc1ccc(C#N)cc1)C[C@H]1CCC[N@H+](C)C1 ZINC000118842608 365181571 /nfs/dbraw/zinc/18/15/71/365181571.db2.gz XAPCWVBNUGQTMK-INIZCTEOSA-N 2 1 287.407 2.211 20 30 CEEDMP C[NH+](CCOc1ccc(C#N)cc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000118842608 365181572 /nfs/dbraw/zinc/18/15/72/365181572.db2.gz XAPCWVBNUGQTMK-INIZCTEOSA-N 2 1 287.407 2.211 20 30 CEEDMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cnc3ccc(C#N)cn23)C1 ZINC000583838322 367103581 /nfs/dbraw/zinc/10/35/81/367103581.db2.gz DGVBCNHWRUVSGD-HNNXBMFYSA-N 2 1 297.406 2.026 20 30 CEEDMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cnc3ccc(C#N)cn23)C1 ZINC000583838322 367103585 /nfs/dbraw/zinc/10/35/85/367103585.db2.gz DGVBCNHWRUVSGD-HNNXBMFYSA-N 2 1 297.406 2.026 20 30 CEEDMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=[NH2+])N(C)C ZINC000170911258 367446108 /nfs/dbraw/zinc/44/61/08/367446108.db2.gz ZUXYWMLJIFNMST-CQSZACIVSA-N 2 1 288.439 2.437 20 30 CEEDMP CC[N@@H+](C)C[C@H]1CCN(Cc2cc(C#N)ccc2F)C1 ZINC000173883712 367954192 /nfs/dbraw/zinc/95/41/92/367954192.db2.gz XONVCARZUOXSAX-CQSZACIVSA-N 2 1 275.371 2.471 20 30 CEEDMP C=CCOc1ccccc1C[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000346688650 368771089 /nfs/dbraw/zinc/77/10/89/368771089.db2.gz YFIIJQDQHVOXLG-KGLIPLIRSA-N 2 1 260.381 2.421 20 30 CEEDMP C=CCC[NH2+][C@H]1CC[N@H+](CCCOCC)C[C@H]1C ZINC000190006597 369587131 /nfs/dbraw/zinc/58/71/31/369587131.db2.gz XDDSTPRCZSPVGE-CABCVRRESA-N 2 1 254.418 2.289 20 30 CEEDMP C[N@@H+]1C[C@H]2CN(CC#Cc3ccc(Cl)cc3)C[C@H]2C1 ZINC000193613841 369962728 /nfs/dbraw/zinc/96/27/28/369962728.db2.gz YOSOTGWXEVMOMQ-GASCZTMLSA-N 2 1 274.795 2.185 20 30 CEEDMP C[C@@H](c1cccc(C#N)c1)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193622660 369963991 /nfs/dbraw/zinc/96/39/91/369963991.db2.gz GWJXMTXUNMLJPF-VBNZEHGJSA-N 2 1 255.365 2.113 20 30 CEEDMP C[C@@H](c1cccc(C#N)c1)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193622660 369963992 /nfs/dbraw/zinc/96/39/92/369963992.db2.gz GWJXMTXUNMLJPF-VBNZEHGJSA-N 2 1 255.365 2.113 20 30 CEEDMP C[C@@H](c1cccc(C#N)c1)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193622660 369963994 /nfs/dbraw/zinc/96/39/94/369963994.db2.gz GWJXMTXUNMLJPF-VBNZEHGJSA-N 2 1 255.365 2.113 20 30 CEEDMP C[C@@H](c1cccc(C#N)c1)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193622660 369963995 /nfs/dbraw/zinc/96/39/95/369963995.db2.gz GWJXMTXUNMLJPF-VBNZEHGJSA-N 2 1 255.365 2.113 20 30 CEEDMP C[C@@H](c1ccc(C#N)cc1)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193653697 369968071 /nfs/dbraw/zinc/96/80/71/369968071.db2.gz UIOJUHCHKCYAFH-VBNZEHGJSA-N 2 1 255.365 2.113 20 30 CEEDMP C[C@@H](c1ccc(C#N)cc1)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193653697 369968072 /nfs/dbraw/zinc/96/80/72/369968072.db2.gz UIOJUHCHKCYAFH-VBNZEHGJSA-N 2 1 255.365 2.113 20 30 CEEDMP C[C@@H](c1ccc(C#N)cc1)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193653697 369968074 /nfs/dbraw/zinc/96/80/74/369968074.db2.gz UIOJUHCHKCYAFH-VBNZEHGJSA-N 2 1 255.365 2.113 20 30 CEEDMP C[C@@H](c1ccc(C#N)cc1)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193653697 369968076 /nfs/dbraw/zinc/96/80/76/369968076.db2.gz UIOJUHCHKCYAFH-VBNZEHGJSA-N 2 1 255.365 2.113 20 30 CEEDMP C[N@H+]1CCC[C@H]2C[NH+](CCOc3ccc(C#N)cc3)CC[C@H]21 ZINC000247979799 371152289 /nfs/dbraw/zinc/15/22/89/371152289.db2.gz MGINDZPGMXYCSG-FUHWJXTLSA-N 2 1 299.418 2.353 20 30 CEEDMP C[NH+]1CCC[C@H]2C[N@H+](CCOc3ccc(C#N)cc3)CC[C@H]21 ZINC000247979799 371152294 /nfs/dbraw/zinc/15/22/94/371152294.db2.gz MGINDZPGMXYCSG-FUHWJXTLSA-N 2 1 299.418 2.353 20 30 CEEDMP C[NH+]1CCC[C@H]2C[N@@H+](CCOc3ccc(C#N)cc3)CC[C@H]21 ZINC000247979799 371152297 /nfs/dbraw/zinc/15/22/97/371152297.db2.gz MGINDZPGMXYCSG-FUHWJXTLSA-N 2 1 299.418 2.353 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCO[C@H](C)C2)CC1 ZINC000359394708 371459837 /nfs/dbraw/zinc/45/98/37/371459837.db2.gz UCSHWHZURBWDRY-UKRRQHHQSA-N 2 1 252.402 2.184 20 30 CEEDMP C=CCCC[C@@H](C)[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639766383 371554971 /nfs/dbraw/zinc/55/49/71/371554971.db2.gz NSNPSPZBUFWVHS-HUUCEWRRSA-N 2 1 254.418 2.120 20 30 CEEDMP C=CCN1CC[C@@](O)(C[N@@H+](CC=C)Cc2ccccc2)C1 ZINC000639963205 371700419 /nfs/dbraw/zinc/70/04/19/371700419.db2.gz VBPHLFKEFMGTML-SFHVURJKSA-N 2 1 286.419 2.297 20 30 CEEDMP C=CCN(Cc1ccccc1)C[C@]1(O)CC[N@H+](CC=C)C1 ZINC000639963205 371700424 /nfs/dbraw/zinc/70/04/24/371700424.db2.gz VBPHLFKEFMGTML-SFHVURJKSA-N 2 1 286.419 2.297 20 30 CEEDMP CC[N@@H+](CCNC(=[NH2+])Nc1ccc2c(c1)CCC2)C1CC1 ZINC000264162763 371982090 /nfs/dbraw/zinc/98/20/90/371982090.db2.gz BMFQCZRZMJATSR-UHFFFAOYSA-N 2 1 286.423 2.386 20 30 CEEDMP COc1cc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)ccc1C#N ZINC000353640470 220213439 /nfs/dbraw/zinc/21/34/39/220213439.db2.gz GXACKNSGXZSOCD-XJKCOSOUSA-N 2 1 287.407 2.385 20 30 CEEDMP COc1cc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)ccc1C#N ZINC000353640470 220213445 /nfs/dbraw/zinc/21/34/45/220213445.db2.gz GXACKNSGXZSOCD-XJKCOSOUSA-N 2 1 287.407 2.385 20 30 CEEDMP C[NH+](C)[C@H]1CCC[N@H+](CCOc2ccccc2C#N)CC1 ZINC000277387835 374501435 /nfs/dbraw/zinc/50/14/35/374501435.db2.gz YRJZZSMDROBIOP-INIZCTEOSA-N 2 1 287.407 2.353 20 30 CEEDMP C[NH+](C)[C@H]1CCC[N@@H+](CCOc2ccccc2C#N)CC1 ZINC000277387835 374501438 /nfs/dbraw/zinc/50/14/38/374501438.db2.gz YRJZZSMDROBIOP-INIZCTEOSA-N 2 1 287.407 2.353 20 30 CEEDMP C[C@H]([NH2+][C@H]1CCc2[nH+]ccn2C1)c1ccc(C#N)s1 ZINC000375843471 374685471 /nfs/dbraw/zinc/68/54/71/374685471.db2.gz SHOOKWNEPPTWJK-QWRGUYRKSA-N 2 1 272.377 2.482 20 30 CEEDMP CCC[N@@H+](C)C[C@@H]1CCN(Cc2ccc(C#N)cn2)C1 ZINC000562383725 376882956 /nfs/dbraw/zinc/88/29/56/376882956.db2.gz WJQVRGYZEPNQKP-HNNXBMFYSA-N 2 1 272.396 2.117 20 30 CEEDMP C=CC[C@H](Cc1ccccc1)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000564856318 377480643 /nfs/dbraw/zinc/48/06/43/377480643.db2.gz GHAZBPBEUCUMJJ-SJLPKXTDSA-N 2 1 288.435 2.219 20 30 CEEDMP C=CC[C@H](Cc1ccccc1)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000564856318 377480653 /nfs/dbraw/zinc/48/06/53/377480653.db2.gz GHAZBPBEUCUMJJ-SJLPKXTDSA-N 2 1 288.435 2.219 20 30 CEEDMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2(CC#N)CC2)[C@@H](C)C1 ZINC000430744693 377547651 /nfs/dbraw/zinc/54/76/51/377547651.db2.gz VKZJIPGZMSNCOQ-JKSUJKDBSA-N 2 1 293.455 2.407 20 30 CEEDMP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000436291273 377821663 /nfs/dbraw/zinc/82/16/63/377821663.db2.gz PUJLMLBPLIRNTE-FPCVCCKLSA-N 2 1 264.413 2.184 20 30 CEEDMP N#C[C@@H]1CC[C@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000442641224 377973845 /nfs/dbraw/zinc/97/38/45/377973845.db2.gz CWHLABSKPRLWRY-MSOLQXFVSA-N 2 1 299.418 2.301 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(-n2ccnc2)cc1 ZINC000294957032 378031801 /nfs/dbraw/zinc/03/18/01/378031801.db2.gz IZYSWMFSUBXTHA-MRXNPFEDSA-N 2 1 296.418 2.478 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(-n2ccnc2)cc1 ZINC000294957032 378031804 /nfs/dbraw/zinc/03/18/04/378031804.db2.gz IZYSWMFSUBXTHA-MRXNPFEDSA-N 2 1 296.418 2.478 20 30 CEEDMP C=CCOCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000339043413 394938230 /nfs/dbraw/zinc/93/82/30/394938230.db2.gz GEQOUSLEKIMBGE-GOEBONIOSA-N 2 1 264.413 2.138 20 30 CEEDMP C=CCOCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000339043413 394938236 /nfs/dbraw/zinc/93/82/36/394938236.db2.gz GEQOUSLEKIMBGE-GOEBONIOSA-N 2 1 264.413 2.138 20 30 CEEDMP C#Cc1ccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000290089048 395093990 /nfs/dbraw/zinc/09/39/90/395093990.db2.gz MOQOKHYHLQUXSM-MRXNPFEDSA-N 2 1 254.377 2.242 20 30 CEEDMP C=CCOc1cccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000346859471 395110606 /nfs/dbraw/zinc/11/06/06/395110606.db2.gz SDVYOSFTACMICH-BHYGNILZSA-N 2 1 272.392 2.421 20 30 CEEDMP CN1CCCC(C)(C)[C@H]1C[NH2+]C[C@H](C#N)CCC#N ZINC000573068625 395599457 /nfs/dbraw/zinc/59/94/57/395599457.db2.gz WXXJMJMGLZEOHX-UONOGXRCSA-N 2 1 262.401 2.140 20 30 CEEDMP C=CC[NH+]1CCC([NH2+]CC2(O)CCC(C)CC2)CC1 ZINC000571875362 395584662 /nfs/dbraw/zinc/58/46/62/395584662.db2.gz NKWTZRISHMHRKG-UHFFFAOYSA-N 2 1 266.429 2.168 20 30 CEEDMP C=CC[N@@H+](CC1CCCCC1)C[C@](C)(O)C[NH2+]C ZINC000572049332 395585378 /nfs/dbraw/zinc/58/53/78/395585378.db2.gz SBZLZHKUHUIOQR-OAHLLOKOSA-N 2 1 254.418 2.025 20 30 CEEDMP C=CCCCC[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000649382148 396135657 /nfs/dbraw/zinc/13/56/57/396135657.db2.gz OFULKDWUIOYQQK-INIZCTEOSA-N 2 1 265.445 2.055 20 30 CEEDMP N#Cc1cccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000037408180 173183902 /nfs/dbraw/zinc/18/39/02/173183902.db2.gz DFBZKFALPXMOCY-HNNXBMFYSA-N 2 1 255.365 2.132 20 30 CEEDMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cccc(C#N)c2)C1 ZINC000040621184 174355138 /nfs/dbraw/zinc/35/51/38/174355138.db2.gz CEBLELLRJQCOFD-INIZCTEOSA-N 2 1 257.381 2.378 20 30 CEEDMP C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)C[N@H+](C)CC ZINC000661114803 415101803 /nfs/dbraw/zinc/10/18/03/415101803.db2.gz MONALUYMTXKCHU-RBSFLKMASA-N 2 1 254.418 2.024 20 30 CEEDMP C=CC[N@@H+](CCc1ccccc1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662252573 415716615 /nfs/dbraw/zinc/71/66/15/415716615.db2.gz AUWNSHJIANKFRG-QGZVFWFLSA-N 2 1 286.419 2.238 20 30 CEEDMP C=CCN(CCc1ccco1)C[C@H](O)C[N@H+](C)C(C)C ZINC000660225686 415929950 /nfs/dbraw/zinc/92/99/50/415929950.db2.gz QMKCJPWWWFLESQ-OAHLLOKOSA-N 2 1 280.412 2.011 20 30 CEEDMP C=CC[C@@]1(C(=O)N(C)CC[C@H]2CCCC[N@H+]2C)CCC[NH2+]1 ZINC000662746296 415951507 /nfs/dbraw/zinc/95/15/07/415951507.db2.gz RXNFBTZCOUFVPE-WBVHZDCISA-N 2 1 293.455 2.018 20 30 CEEDMP C=CC[C@]1(C(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)CCC[NH2+]1 ZINC000662710186 415938519 /nfs/dbraw/zinc/93/85/19/415938519.db2.gz FMWKXPYVLKNUKE-HLLBOEOZSA-N 2 1 293.455 2.064 20 30 CEEDMP C=C[C@H](CO)[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000353576760 263183459 /nfs/dbraw/zinc/18/34/59/263183459.db2.gz ORCSPHDCZXTAMA-LZWOXQAQSA-N 2 1 266.429 2.166 20 30 CEEDMP C=CCOc1ccccc1C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000425983463 264264010 /nfs/dbraw/zinc/26/40/10/264264010.db2.gz CFTOGQTVJHZPES-IYBDPMFKSA-N 2 1 272.392 2.245 20 30 CEEDMP C=CCOc1ccccc1C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000425983463 264264012 /nfs/dbraw/zinc/26/40/12/264264012.db2.gz CFTOGQTVJHZPES-IYBDPMFKSA-N 2 1 272.392 2.245 20 30 CEEDMP C=CCOc1ccccc1C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000425983463 264264013 /nfs/dbraw/zinc/26/40/13/264264013.db2.gz CFTOGQTVJHZPES-IYBDPMFKSA-N 2 1 272.392 2.245 20 30 CEEDMP C=CCOc1ccccc1C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000425983463 264264016 /nfs/dbraw/zinc/26/40/16/264264016.db2.gz CFTOGQTVJHZPES-IYBDPMFKSA-N 2 1 272.392 2.245 20 30 CEEDMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1C[NH3+] ZINC000397318349 267075317 /nfs/dbraw/zinc/07/53/17/267075317.db2.gz ABVKUHCENOZCDV-IOASZLSFSA-N 2 1 257.381 2.363 20 30 CEEDMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cnc3ccc(C#N)cn23)C1 ZINC000459732690 267336715 /nfs/dbraw/zinc/33/67/15/267336715.db2.gz MOHAKGYNRDJFQA-AWEZNQCLSA-N 2 1 297.406 2.027 20 30 CEEDMP CC#CC[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000306460289 268048261 /nfs/dbraw/zinc/04/82/61/268048261.db2.gz BYAPQQNSEYXBIE-MSOLQXFVSA-N 2 1 268.404 2.464 20 30 CEEDMP CC#CC[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000306460289 268048263 /nfs/dbraw/zinc/04/82/63/268048263.db2.gz BYAPQQNSEYXBIE-MSOLQXFVSA-N 2 1 268.404 2.464 20 30 CEEDMP CC#CC[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000306460289 268048265 /nfs/dbraw/zinc/04/82/65/268048265.db2.gz BYAPQQNSEYXBIE-MSOLQXFVSA-N 2 1 268.404 2.464 20 30 CEEDMP CC#CC[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000306460289 268048269 /nfs/dbraw/zinc/04/82/69/268048269.db2.gz BYAPQQNSEYXBIE-MSOLQXFVSA-N 2 1 268.404 2.464 20 30 CEEDMP C[NH+]=C(NC[C@H](c1ccc(C)o1)[NH+]1CCCC1)NC1CC1 ZINC000262140206 328145701 /nfs/dbraw/zinc/14/57/01/328145701.db2.gz PKMCOQYHFYMLFU-CQSZACIVSA-N 2 1 290.411 2.052 20 30 CEEDMP C[C@@H]1C[NH+]=C(NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)N1 ZINC000262682519 330026664 /nfs/dbraw/zinc/02/66/64/330026664.db2.gz WWAIJJBAJOCXLB-MBNYWOFBSA-N 2 1 292.452 2.068 20 30 CEEDMP C#CC[N@@H+](C)CCCNC(=[NH2+])Nc1cc(C)cc(C)c1 ZINC000491387893 332202690 /nfs/dbraw/zinc/20/26/90/332202690.db2.gz ZIMZFJWYIKWLRF-UHFFFAOYSA-N 2 1 272.396 2.195 20 30 CEEDMP C=CCCCC[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000516714436 333081407 /nfs/dbraw/zinc/08/14/07/333081407.db2.gz ZLJCWEXFHPDELC-UHFFFAOYSA-N 2 1 267.461 2.301 20 30 CEEDMP C=CC[NH+]1CCC(NC(=O)CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000353308315 526421669 /nfs/dbraw/zinc/42/16/69/526421669.db2.gz AHPFNHLEYOVHHD-MRXNPFEDSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)C[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC000968780165 613306798 /nfs/dbraw/zinc/30/67/98/613306798.db2.gz AAAQCDWTDLOVLK-HOTGVXAUSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)C[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC000968780165 613306799 /nfs/dbraw/zinc/30/67/99/613306799.db2.gz AAAQCDWTDLOVLK-HOTGVXAUSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)C[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC000968780165 613306800 /nfs/dbraw/zinc/30/68/00/613306800.db2.gz AAAQCDWTDLOVLK-HOTGVXAUSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC000968780317 613491291 /nfs/dbraw/zinc/49/12/91/613491291.db2.gz CQALQSXUIJCILV-JKSUJKDBSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC000968780317 613491294 /nfs/dbraw/zinc/49/12/94/613491294.db2.gz CQALQSXUIJCILV-JKSUJKDBSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC000968780317 613491297 /nfs/dbraw/zinc/49/12/97/613491297.db2.gz CQALQSXUIJCILV-JKSUJKDBSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001024366096 625532775 /nfs/dbraw/zinc/53/27/75/625532775.db2.gz NNOKAPXZEZRMMI-CVEARBPZSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001024366096 625532783 /nfs/dbraw/zinc/53/27/83/625532783.db2.gz NNOKAPXZEZRMMI-CVEARBPZSA-N 2 1 293.455 2.018 20 30 CEEDMP C#CCC1([NH2+]C[C@@H](O)C[N@@H+](C)Cc2ccccc2)CCC1 ZINC000933302799 623629368 /nfs/dbraw/zinc/62/93/68/623629368.db2.gz XJABBNDIHCWBGQ-QGZVFWFLSA-N 2 1 286.419 2.015 20 30 CEEDMP C#CCC1([NH2+]C[C@@H](O)C[N@H+](C)Cc2ccccc2)CCC1 ZINC000933302799 623629373 /nfs/dbraw/zinc/62/93/73/623629373.db2.gz XJABBNDIHCWBGQ-QGZVFWFLSA-N 2 1 286.419 2.015 20 30 CEEDMP CC(C)[N@H+]1CC[C@H](CNC(=[NH2+])Nc2ccccc2)C1 ZINC000051691836 624523235 /nfs/dbraw/zinc/52/32/35/624523235.db2.gz ZGKMLWMTAMTFNQ-CYBMUJFWSA-N 2 1 260.385 2.144 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+]Cc1ccc2c(c1)CC(C)(C)O2 ZINC000328106416 627821670 /nfs/dbraw/zinc/82/16/70/627821670.db2.gz MSAVZPNGFAJKNO-UHFFFAOYSA-N 2 1 286.419 2.445 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc2c(c1)CC(C)(C)O2 ZINC000328106416 627821673 /nfs/dbraw/zinc/82/16/73/627821673.db2.gz MSAVZPNGFAJKNO-UHFFFAOYSA-N 2 1 286.419 2.445 20 30 CEEDMP C#C[C@@H](C)[N@@H+](C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000775184002 628040653 /nfs/dbraw/zinc/04/06/53/628040653.db2.gz RNQGWIGBXICZHB-CQSZACIVSA-N 2 1 260.381 2.081 20 30 CEEDMP C=C(C)C[NH2+]C1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001026515928 628345276 /nfs/dbraw/zinc/34/52/76/628345276.db2.gz NOLRJMROCBTVSS-GPANFISMSA-N 2 1 293.455 2.064 20 30 CEEDMP C=CC[NH2+]C1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001026610132 628373802 /nfs/dbraw/zinc/37/38/02/628373802.db2.gz DYHDHTSJKACYSF-GPANFISMSA-N 2 1 293.455 2.064 20 30 CEEDMP CN1CC[C@@H]2CC[C@H](C1)[N@H+]2CCCOc1ccc(C#N)cc1 ZINC000931725948 628813289 /nfs/dbraw/zinc/81/32/89/628813289.db2.gz ASXZDAJUBCEKHZ-DLBZAZTESA-N 2 1 299.418 2.496 20 30 CEEDMP C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2CCCOc1ccc(C#N)cc1 ZINC000931725948 628813292 /nfs/dbraw/zinc/81/32/92/628813292.db2.gz ASXZDAJUBCEKHZ-DLBZAZTESA-N 2 1 299.418 2.496 20 30 CEEDMP C[N@H+]1CC[C@@H]2CC[C@H](C1)N2CCCOc1ccc(C#N)cc1 ZINC000931725948 628813295 /nfs/dbraw/zinc/81/32/95/628813295.db2.gz ASXZDAJUBCEKHZ-DLBZAZTESA-N 2 1 299.418 2.496 20 30 CEEDMP CC[C@H](C)NC(=[NH2+])NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000261695360 629088759 /nfs/dbraw/zinc/08/87/59/629088759.db2.gz BUKOWGVKUKOAEZ-STQMWFEESA-N 2 1 268.449 2.200 20 30 CEEDMP C[N@H+](CCC[NH+]1CCCC1)C[C@@H](O)c1ccc(C#N)cc1 ZINC000799174490 630991160 /nfs/dbraw/zinc/99/11/60/630991160.db2.gz JHDWYDXKDZZKCQ-QGZVFWFLSA-N 2 1 287.407 2.009 20 30 CEEDMP C[N@@H+](CCC[NH+]1CCCC1)C[C@@H](O)c1ccc(C#N)cc1 ZINC000799174490 630991163 /nfs/dbraw/zinc/99/11/63/630991163.db2.gz JHDWYDXKDZZKCQ-QGZVFWFLSA-N 2 1 287.407 2.009 20 30 CEEDMP Cc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1C#N ZINC000926960153 632386363 /nfs/dbraw/zinc/38/63/63/632386363.db2.gz FEVMGQUOGZMXBX-GOSISDBHSA-N 2 1 299.418 2.210 20 30 CEEDMP C[NH+]1CCC2(CCC[N@H+]([C@H]3CC[C@H](C#N)C3)C2)CC1 ZINC000815107121 632960634 /nfs/dbraw/zinc/96/06/34/632960634.db2.gz KHJUTOAQENXATN-GJZGRUSLSA-N 2 1 261.413 2.486 20 30 CEEDMP C=C(CC[NH+](C)C)C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000900340376 633663805 /nfs/dbraw/zinc/66/38/05/633663805.db2.gz XYUZMOVNYGKKHL-CQSZACIVSA-N 2 1 295.471 2.121 20 30 CEEDMP C#CCOc1ccc([C@H](C)[NH2+]C[C@H]([NH3+])C(C)C)cc1 ZINC000817960024 633803482 /nfs/dbraw/zinc/80/34/82/633803482.db2.gz WOVQRCSOCSSVEV-BBRMVZONSA-N 2 1 260.381 2.333 20 30 CEEDMP N#Cc1ccc([C@@H](O)C[NH2+]C2CC([NH+]3CCCCC3)C2)cc1 ZINC000819278583 634125975 /nfs/dbraw/zinc/12/59/75/634125975.db2.gz RPROMNALVDUYKS-ABHNRTSZSA-N 2 1 299.418 2.198 20 30 CEEDMP CC[C@H](NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1cccc(C#N)c1 ZINC000902793311 634835881 /nfs/dbraw/zinc/83/58/81/634835881.db2.gz HEIMBFNOJLQJFQ-BZSNNMDCSA-N 2 1 299.418 2.462 20 30 CEEDMP CC[C@H](NC[C@H]1C[N@H+]2CCC[C@H]2CO1)c1cccc(C#N)c1 ZINC000902793311 634835885 /nfs/dbraw/zinc/83/58/85/634835885.db2.gz HEIMBFNOJLQJFQ-BZSNNMDCSA-N 2 1 299.418 2.462 20 30 CEEDMP C[N@@H+](CCc1cccc(C#N)c1)C[C@]1(C)CCC[NH2+]C1 ZINC000904384225 635607201 /nfs/dbraw/zinc/60/72/01/635607201.db2.gz HJKQYNJZMNNURX-QGZVFWFLSA-N 2 1 271.408 2.422 20 30 CEEDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@](C)(C#N)C3)cc2)CC1 ZINC000827650652 636376115 /nfs/dbraw/zinc/37/61/15/636376115.db2.gz SRTYBOZCANSIAP-GOSISDBHSA-N 2 1 298.434 2.174 20 30 CEEDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@](C)(C#N)C3)cc2)CC1 ZINC000827650652 636376118 /nfs/dbraw/zinc/37/61/18/636376118.db2.gz SRTYBOZCANSIAP-GOSISDBHSA-N 2 1 298.434 2.174 20 30 CEEDMP CSCCC[NH+]=C(NC[C@@H](C)[NH+](C)C)NC(C)(C)C ZINC000912508130 638712903 /nfs/dbraw/zinc/71/29/03/638712903.db2.gz HZFSLTIYRMLYQD-GFCCVEGCSA-N 2 1 288.505 2.023 20 30 CEEDMP C#C[C@@H]1CCC[NH+](CCCC[N@@H+]2CCC[C@@H](C#C)C2)C1 ZINC000847023251 641530897 /nfs/dbraw/zinc/53/08/97/641530897.db2.gz ZWTNDUSEVVNXME-QZTJIDSGSA-N 2 1 272.436 2.457 20 30 CEEDMP C#C[C@H]1CCC[N@@H+](CCCC[NH+]2CCC[C@@H](C#C)C2)C1 ZINC000847023248 641530954 /nfs/dbraw/zinc/53/09/54/641530954.db2.gz ZWTNDUSEVVNXME-HDICACEKSA-N 2 1 272.436 2.457 20 30 CEEDMP C#C[C@H]1CCC[NH+](CCCC[N@@H+]2CCC[C@@H](C#C)C2)C1 ZINC000847023248 641530956 /nfs/dbraw/zinc/53/09/56/641530956.db2.gz ZWTNDUSEVVNXME-HDICACEKSA-N 2 1 272.436 2.457 20 30 CEEDMP C#C[C@H]1CCC[NH+](CCCC[N@H+]2CCC[C@@H](C#C)C2)C1 ZINC000847023248 641530959 /nfs/dbraw/zinc/53/09/59/641530959.db2.gz ZWTNDUSEVVNXME-HDICACEKSA-N 2 1 272.436 2.457 20 30 CEEDMP CC[NH+]=C(NCc1ccsc1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000083129739 642052098 /nfs/dbraw/zinc/05/20/98/642052098.db2.gz WMKBYDHIKOJOSW-CYBMUJFWSA-N 2 1 292.452 2.040 20 30 CEEDMP CC[NH+]=C(NCc1ccsc1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000083129739 642052122 /nfs/dbraw/zinc/05/21/22/642052122.db2.gz WMKBYDHIKOJOSW-CYBMUJFWSA-N 2 1 292.452 2.040 20 30 CEEDMP N#Cc1cc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cs1 ZINC000921526837 642207036 /nfs/dbraw/zinc/20/70/36/642207036.db2.gz ILRXZDCUZXIMHF-NSHDSACASA-N 2 1 261.394 2.194 20 30 CEEDMP N#Cc1cc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cs1 ZINC000921526837 642207035 /nfs/dbraw/zinc/20/70/35/642207035.db2.gz ILRXZDCUZXIMHF-NSHDSACASA-N 2 1 261.394 2.194 20 30 CEEDMP C#CC[N@@H+](C)CCCNC(=[NH2+])Nc1cccc2c1CCCC2 ZINC000849032473 642244306 /nfs/dbraw/zinc/24/43/06/642244306.db2.gz KHTFLXAMEJTYQL-UHFFFAOYSA-N 2 1 298.434 2.457 20 30 CEEDMP C=C(C)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001001010830 642675909 /nfs/dbraw/zinc/67/59/09/642675909.db2.gz XJHVMKJMXHQAMT-JKSUJKDBSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCCCCC[N@H+](C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923315105 643654848 /nfs/dbraw/zinc/65/48/48/643654848.db2.gz FGSYJQXASMVYQF-AWEZNQCLSA-N 2 1 252.402 2.043 20 30 CEEDMP CN(C)c1ccc(C#N)cc1CNC[C@H]1CCC[N@@H+](C)C1 ZINC000865455757 647301838 /nfs/dbraw/zinc/30/18/38/647301838.db2.gz FOAKKUVNKXZEGH-OAHLLOKOSA-N 2 1 286.423 2.056 20 30 CEEDMP CN(C)c1ccc(C#N)cc1C[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000865455757 647301845 /nfs/dbraw/zinc/30/18/45/647301845.db2.gz FOAKKUVNKXZEGH-OAHLLOKOSA-N 2 1 286.423 2.056 20 30 CEEDMP C[C@H]([NH2+][C@H]1Cc2ccc(C#N)cc2C1)[C@H]1CCCC[NH2+]1 ZINC000873275832 649621452 /nfs/dbraw/zinc/62/14/52/649621452.db2.gz ONVXFMDPAJNDSP-AFAVFJNCSA-N 2 1 269.392 2.146 20 30 CEEDMP C[N@H+]1CC[C@@H]2C[NH+](CCc3ccc(C#N)cc3)CC[C@H]21 ZINC000879579909 651326771 /nfs/dbraw/zinc/32/67/71/651326771.db2.gz QDCFMOCGXKXRDG-IAGOWNOFSA-N 2 1 269.392 2.127 20 30 CEEDMP C[NH+]1CC[C@@H]2C[N@H+](CCc3ccc(C#N)cc3)CC[C@H]21 ZINC000879579909 651326774 /nfs/dbraw/zinc/32/67/74/651326774.db2.gz QDCFMOCGXKXRDG-IAGOWNOFSA-N 2 1 269.392 2.127 20 30 CEEDMP C[NH+]1CC[C@@H]2C[N@@H+](CCc3ccc(C#N)cc3)CC[C@H]21 ZINC000879579909 651326776 /nfs/dbraw/zinc/32/67/76/651326776.db2.gz QDCFMOCGXKXRDG-IAGOWNOFSA-N 2 1 269.392 2.127 20 30 CEEDMP C=CCC[NH+]1CCC[C@@](C)(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001271016498 805715818 /nfs/dbraw/zinc/71/58/18/805715818.db2.gz HCCLEUTYCDNHBD-KRWDZBQOSA-N 2 1 295.471 2.121 20 30 CEEDMP C=CCC[N@H+]1CCC[C@@](C)(CNC(=O)C[NH+](C)C(C)C)C1 ZINC001271016498 805715824 /nfs/dbraw/zinc/71/58/24/805715824.db2.gz HCCLEUTYCDNHBD-KRWDZBQOSA-N 2 1 295.471 2.121 20 30 CEEDMP C=CCC[N@@H+]1CCC[C@@](C)(CNC(=O)C[NH+](C)C(C)C)C1 ZINC001271016498 805715828 /nfs/dbraw/zinc/71/58/28/805715828.db2.gz HCCLEUTYCDNHBD-KRWDZBQOSA-N 2 1 295.471 2.121 20 30 CEEDMP C=C(C)C[NH2+]CCCNC(=O)CCn1cc[nH+]c1C(C)C ZINC001167581330 803156315 /nfs/dbraw/zinc/15/63/15/803156315.db2.gz YEWXYIPKWAFVML-UHFFFAOYSA-N 2 1 292.427 2.069 20 30 CEEDMP C=CCCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001267790187 803735281 /nfs/dbraw/zinc/73/52/81/803735281.db2.gz NSGNJCVXKBSYRZ-HOTGVXAUSA-N 2 1 295.471 2.216 20 30 CEEDMP C=CCN1CC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC001038904847 804512320 /nfs/dbraw/zinc/51/23/20/804512320.db2.gz XXOHRHHQZSCEBR-HOTGVXAUSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)C[NH+]1CC[C@H](N(CC)C(=O)CC[N@H+](C)CCC)C1 ZINC001269355046 805139041 /nfs/dbraw/zinc/13/90/41/805139041.db2.gz DGBRPJRRZJNNJL-INIZCTEOSA-N 2 1 295.471 2.217 20 30 CEEDMP C=C(C)C[N@H+]1CC[C@H](N(CC)C(=O)CC[NH+](C)CCC)C1 ZINC001269355046 805139045 /nfs/dbraw/zinc/13/90/45/805139045.db2.gz DGBRPJRRZJNNJL-INIZCTEOSA-N 2 1 295.471 2.217 20 30 CEEDMP C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)CC[NH+](C)CCC)C1 ZINC001269355046 805139047 /nfs/dbraw/zinc/13/90/47/805139047.db2.gz DGBRPJRRZJNNJL-INIZCTEOSA-N 2 1 295.471 2.217 20 30 CEEDMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cc(C#N)co1)C2 ZINC001172108726 815297814 /nfs/dbraw/zinc/29/78/14/815297814.db2.gz DNKGOWSGISMPRM-BTTYYORXSA-N 2 1 259.353 2.256 20 30 CEEDMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cc(C#N)co1)C2 ZINC001172108726 815297820 /nfs/dbraw/zinc/29/78/20/815297820.db2.gz DNKGOWSGISMPRM-BTTYYORXSA-N 2 1 259.353 2.256 20 30 CEEDMP N#Cc1ccc(CCC[N@@H+]2CC[C@@H](N)[C@H](F)CC2)cc1 ZINC001206157137 815298259 /nfs/dbraw/zinc/29/82/59/815298259.db2.gz WGMKMIUCSUOVHB-HZPDHXFCSA-N 2 1 275.371 2.252 20 30 CEEDMP N#Cc1ccc(CCC[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)cc1 ZINC001206157137 815298262 /nfs/dbraw/zinc/29/82/62/815298262.db2.gz WGMKMIUCSUOVHB-HZPDHXFCSA-N 2 1 275.371 2.252 20 30 CEEDMP N#Cc1ccc(CCC[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)cc1 ZINC001206157137 815298263 /nfs/dbraw/zinc/29/82/63/815298263.db2.gz WGMKMIUCSUOVHB-HZPDHXFCSA-N 2 1 275.371 2.252 20 30 CEEDMP N#Cc1ccc(CCC[N@@H+]2CC[C@@H](N)[C@@H](F)CC2)cc1 ZINC001206157138 815298372 /nfs/dbraw/zinc/29/83/72/815298372.db2.gz WGMKMIUCSUOVHB-JKSUJKDBSA-N 2 1 275.371 2.252 20 30 CEEDMP N#Cc1ccc(CCC[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)cc1 ZINC001206157138 815298377 /nfs/dbraw/zinc/29/83/77/815298377.db2.gz WGMKMIUCSUOVHB-JKSUJKDBSA-N 2 1 275.371 2.252 20 30 CEEDMP N#Cc1ccc(CCC[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)cc1 ZINC001206157138 815298381 /nfs/dbraw/zinc/29/83/81/815298381.db2.gz WGMKMIUCSUOVHB-JKSUJKDBSA-N 2 1 275.371 2.252 20 30 CEEDMP C=CCC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCCN2C)C1 ZINC001034269243 809567959 /nfs/dbraw/zinc/56/79/59/809567959.db2.gz CTIBJIDUNQMFNO-HOTGVXAUSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001034269243 809567964 /nfs/dbraw/zinc/56/79/64/809567964.db2.gz CTIBJIDUNQMFNO-HOTGVXAUSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001034269243 809567970 /nfs/dbraw/zinc/56/79/70/809567970.db2.gz CTIBJIDUNQMFNO-HOTGVXAUSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001034269243 809567973 /nfs/dbraw/zinc/56/79/73/809567973.db2.gz CTIBJIDUNQMFNO-HOTGVXAUSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001034269243 809567980 /nfs/dbraw/zinc/56/79/80/809567980.db2.gz CTIBJIDUNQMFNO-HOTGVXAUSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCCN2C)C1 ZINC001034269401 809568231 /nfs/dbraw/zinc/56/82/31/809568231.db2.gz CTIBJIDUNQMFNO-HZPDHXFCSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001034269401 809568234 /nfs/dbraw/zinc/56/82/34/809568234.db2.gz CTIBJIDUNQMFNO-HZPDHXFCSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001034269401 809568238 /nfs/dbraw/zinc/56/82/38/809568238.db2.gz CTIBJIDUNQMFNO-HZPDHXFCSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001034269401 809568240 /nfs/dbraw/zinc/56/82/40/809568240.db2.gz CTIBJIDUNQMFNO-HZPDHXFCSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001034269401 809568244 /nfs/dbraw/zinc/56/82/44/809568244.db2.gz CTIBJIDUNQMFNO-HZPDHXFCSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001038783889 810912084 /nfs/dbraw/zinc/91/20/84/810912084.db2.gz ZRKCSTGQNSCFTG-CVEARBPZSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CCC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001038783889 810912088 /nfs/dbraw/zinc/91/20/88/810912088.db2.gz ZRKCSTGQNSCFTG-CVEARBPZSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001038783889 810912099 /nfs/dbraw/zinc/91/20/99/810912099.db2.gz ZRKCSTGQNSCFTG-CVEARBPZSA-N 2 1 293.455 2.016 20 30 CEEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)C2 ZINC001109654120 811923794 /nfs/dbraw/zinc/92/37/94/811923794.db2.gz XLVGRWGECNYSLJ-PMPSAXMXSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)CC[C@@H]1C ZINC001132111725 812790708 /nfs/dbraw/zinc/79/07/08/812790708.db2.gz WVQSJASKKMZOJH-GJZGRUSLSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)CC[C@@H]1C ZINC001132111725 812790712 /nfs/dbraw/zinc/79/07/12/812790712.db2.gz WVQSJASKKMZOJH-GJZGRUSLSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)CC[C@@H]1C ZINC001132111725 812790717 /nfs/dbraw/zinc/79/07/17/812790717.db2.gz WVQSJASKKMZOJH-GJZGRUSLSA-N 2 1 293.455 2.016 20 30 CEEDMP C=C(C)CC[N@H+]1C[C@H](NC(=O)C[NH+](CC)CC)CC[C@@H]1C ZINC001132377542 812835575 /nfs/dbraw/zinc/83/55/75/812835575.db2.gz YFUJTGCQCSCCLN-JKSUJKDBSA-N 2 1 295.471 2.264 20 30 CEEDMP C=CCCCCC[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001132886862 812957035 /nfs/dbraw/zinc/95/70/35/812957035.db2.gz VEGDDAOGWSMKMY-HOTGVXAUSA-N 2 1 295.471 2.169 20 30 CEEDMP C=CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001052428185 812989995 /nfs/dbraw/zinc/98/99/95/812989995.db2.gz FNIMEHVQRYYKGZ-JKSUJKDBSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC001052428185 812990003 /nfs/dbraw/zinc/99/00/03/812990003.db2.gz FNIMEHVQRYYKGZ-JKSUJKDBSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC001052428185 812990013 /nfs/dbraw/zinc/99/00/13/812990013.db2.gz FNIMEHVQRYYKGZ-JKSUJKDBSA-N 2 1 293.455 2.018 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)CCc1ccc(O)cc1 ZINC000392776376 813306986 /nfs/dbraw/zinc/30/69/86/813306986.db2.gz DDXBVGUDTOJPQO-HNNXBMFYSA-N 2 1 274.408 2.258 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)CCc1ccc(O)cc1 ZINC000392776376 813306992 /nfs/dbraw/zinc/30/69/92/813306992.db2.gz DDXBVGUDTOJPQO-HNNXBMFYSA-N 2 1 274.408 2.258 20 30 CEEDMP C=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001135477664 813446877 /nfs/dbraw/zinc/44/68/77/813446877.db2.gz VVNXLZGOZNWNJD-UONOGXRCSA-N 2 1 283.460 2.023 20 30 CEEDMP C=C(C)CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CC[N@H+](C)CC ZINC001135860320 813549131 /nfs/dbraw/zinc/54/91/31/813549131.db2.gz ADGOAHZFHGELAM-HUUCEWRRSA-N 2 1 283.460 2.167 20 30 CEEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)[C@H]1C ZINC001074649464 813842920 /nfs/dbraw/zinc/84/29/20/813842920.db2.gz ZJDZLFGTKHLGJF-JYJNAYRXSA-N 2 1 293.455 2.014 20 30 CEEDMP C=CCOC1CCC([N@H+]2CCC[C@@H]([NH3+])CC2)CC1 ZINC001246544312 813966699 /nfs/dbraw/zinc/96/66/99/813966699.db2.gz XMDCKYSGFUNNNF-WLYUNCDWSA-N 2 1 252.402 2.313 20 30 CEEDMP C[C@@H](Cc1cccc(C#N)c1)[NH2+]C1CC[NH+](C)CC1 ZINC001171176986 814058183 /nfs/dbraw/zinc/05/81/83/814058183.db2.gz ZAPDPMHBNJOOAH-ZDUSSCGKSA-N 2 1 257.381 2.173 20 30 CEEDMP C[C@@H](Cc1cccc(C#N)c1)[NH2+]C[C@@H]1CC[N@@H+](C)C1 ZINC001171179849 814060784 /nfs/dbraw/zinc/06/07/84/814060784.db2.gz XRHFXRXCZIKSBK-BBRMVZONSA-N 2 1 257.381 2.031 20 30 CEEDMP C=C(C)CC[NH2+]C1CC(CNC(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001100460243 814130612 /nfs/dbraw/zinc/13/06/12/814130612.db2.gz WHENKYHPJBENGZ-UHFFFAOYSA-N 2 1 295.471 2.167 20 30 CEEDMP CCCCCCC[NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001176056298 816343280 /nfs/dbraw/zinc/34/32/80/816343280.db2.gz FPLXQRXBBRJLOX-OAHLLOKOSA-N 2 1 283.460 2.004 20 30 CEEDMP C#CCC[NH2+]CCCC[C@H](C)NC(=O)CC[N@H+](C)CCC ZINC001176267398 816385549 /nfs/dbraw/zinc/38/55/49/816385549.db2.gz BNFYTGCHQJMAHL-INIZCTEOSA-N 2 1 295.471 2.006 20 30 CEEDMP N#Cc1cccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000130554362 344353825 /nfs/dbraw/zinc/35/38/25/344353825.db2.gz FXYZIXCOGHJHRE-XHSDSOJGSA-N 2 1 255.365 2.117 20 30 CEEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000602506700 347060050 /nfs/dbraw/zinc/06/00/50/347060050.db2.gz LEONKTHXLXJZON-CQSZACIVSA-N 2 1 291.439 2.302 20 30 CEEDMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H](C)CC1(C#N)CCOCC1 ZINC000602534328 347069472 /nfs/dbraw/zinc/06/94/72/347069472.db2.gz SPXWWIXNHPAHGK-GJZGRUSLSA-N 2 1 281.444 2.405 20 30 CEEDMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H](C)CC1(C#N)CCOCC1 ZINC000602534328 347069475 /nfs/dbraw/zinc/06/94/75/347069475.db2.gz SPXWWIXNHPAHGK-GJZGRUSLSA-N 2 1 281.444 2.405 20 30 CEEDMP C=CCC[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C1CC1 ZINC000363522620 344810270 /nfs/dbraw/zinc/81/02/70/344810270.db2.gz PZHXMFYAQLZCRU-XHSDSOJGSA-N 2 1 264.413 2.184 20 30 CEEDMP C=CCC[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1)C1CC1 ZINC000363522620 344810272 /nfs/dbraw/zinc/81/02/72/344810272.db2.gz PZHXMFYAQLZCRU-XHSDSOJGSA-N 2 1 264.413 2.184 20 30 CEEDMP N#Cc1cccc2c1C[N@H+](CC[C@@H]1CCC[NH2+]C1)C2 ZINC000593729685 345528718 /nfs/dbraw/zinc/52/87/18/345528718.db2.gz IHNXPVDWNYLKDY-ZDUSSCGKSA-N 2 1 255.365 2.264 20 30 CEEDMP N#Cc1cccc2c1C[N@@H+](CC[C@@H]1CCC[NH2+]C1)C2 ZINC000593729685 345528720 /nfs/dbraw/zinc/52/87/20/345528720.db2.gz IHNXPVDWNYLKDY-ZDUSSCGKSA-N 2 1 255.365 2.264 20 30 CEEDMP C[N@H+](CCC[NH3+])Cc1ccc(C#N)cc1C(F)(F)F ZINC000595891711 345908112 /nfs/dbraw/zinc/90/81/12/345908112.db2.gz MSGDCDITHYNPCL-UHFFFAOYSA-N 2 1 271.286 2.358 20 30 CEEDMP C[N@@H+](CCC[NH3+])Cc1ccc(C#N)cc1C(F)(F)F ZINC000595891711 345908113 /nfs/dbraw/zinc/90/81/13/345908113.db2.gz MSGDCDITHYNPCL-UHFFFAOYSA-N 2 1 271.286 2.358 20 30 CEEDMP N#Cc1ccc(CC[N@@H+]2CCCC[C@@H]2CC[NH3+])cc1 ZINC000595895417 345908535 /nfs/dbraw/zinc/90/85/35/345908535.db2.gz LYQDVEVNCMMOQW-MRXNPFEDSA-N 2 1 257.381 2.304 20 30 CEEDMP N#C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)C1 ZINC000596097536 345939432 /nfs/dbraw/zinc/93/94/32/345939432.db2.gz YUKPFOAOKBETHQ-BZUAXINKSA-N 2 1 261.413 2.390 20 30 CEEDMP N#CC1(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)CCCCC1 ZINC000596651327 346072270 /nfs/dbraw/zinc/07/22/70/346072270.db2.gz MTLFDDSVAAPAHF-OWCLPIDISA-N 2 1 291.439 2.207 20 30 CEEDMP N#CC1(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)CCCCC1 ZINC000596651325 346072354 /nfs/dbraw/zinc/07/23/54/346072354.db2.gz MTLFDDSVAAPAHF-BZUAXINKSA-N 2 1 291.439 2.207 20 30 CEEDMP N#Cc1ccccc1C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000598684305 346400463 /nfs/dbraw/zinc/40/04/63/346400463.db2.gz VOVZKVNHTVCVOH-KSZLIROESA-N 2 1 299.418 2.419 20 30 CEEDMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598724128 346408713 /nfs/dbraw/zinc/40/87/13/346408713.db2.gz IPTOIKMCKINVBZ-HOTGVXAUSA-N 2 1 295.471 2.245 20 30 CEEDMP Cc1ccc(C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1C#N ZINC000600712546 346675726 /nfs/dbraw/zinc/67/57/26/346675726.db2.gz YCUNXPXGSRRXGQ-KRWDZBQOSA-N 2 1 299.418 2.054 20 30 CEEDMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](CCc1ccc(C#N)cc1)C2 ZINC000600742919 346682793 /nfs/dbraw/zinc/68/27/93/346682793.db2.gz GBDOOOZNYVKKBG-CALCHBBNSA-N 2 1 269.392 2.032 20 30 CEEDMP N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)o1 ZINC000600768938 346686136 /nfs/dbraw/zinc/68/61/36/346686136.db2.gz IGBLMMSILPWSBN-IUODEOHRSA-N 2 1 259.353 2.115 20 30 CEEDMP N#Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)o1 ZINC000600768938 346686138 /nfs/dbraw/zinc/68/61/38/346686138.db2.gz IGBLMMSILPWSBN-IUODEOHRSA-N 2 1 259.353 2.115 20 30 CEEDMP C[C@@H]1CC[N@@H+](CC2(CC#N)CC2)C[C@@H]1n1ccnc1 ZINC000602794338 347200763 /nfs/dbraw/zinc/20/07/63/347200763.db2.gz ACQSENQYVWUSAW-KGLIPLIRSA-N 2 1 258.369 2.460 20 30 CEEDMP C[N@@H+](CC1CC1)C[C@@H]1CCN(Cc2ccnc(C#N)c2)C1 ZINC000610994067 347729229 /nfs/dbraw/zinc/72/92/29/347729229.db2.gz TWDZPOFUIFFTBW-INIZCTEOSA-N 2 1 284.407 2.117 20 30 CEEDMP CCC#C[C@H](C)[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000677478063 541018442 /nfs/dbraw/zinc/01/84/42/541018442.db2.gz KXORWZJIAGPCKY-RCCFBDPRSA-N 2 1 291.483 2.279 20 30 CEEDMP CC[N@@H+](CCC1CC[NH+](CC#CCOC)CC1)CC1CC1 ZINC000678469775 541138729 /nfs/dbraw/zinc/13/87/29/541138729.db2.gz GACHYSUHBYPSNB-UHFFFAOYSA-N 2 1 292.467 2.470 20 30 CEEDMP C=CCCC[C@H](C)[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000678717356 541165564 /nfs/dbraw/zinc/16/55/64/541165564.db2.gz PFVQZCHXWXEYPS-DLBZAZTESA-N 2 1 279.472 2.443 20 30 CEEDMP CN(CC[N@@H+](C)CCCC(C)(C)C#N)C1CC[NH+](C)CC1 ZINC000119721718 365315624 /nfs/dbraw/zinc/31/56/24/365315624.db2.gz NRJHGSUYUOQDCI-UHFFFAOYSA-N 2 1 294.487 2.274 20 30 CEEDMP CC1CC[NH+]([C@H](CNC(=[NH2+])N(C)C)c2cccs2)CC1 ZINC000170906404 367445447 /nfs/dbraw/zinc/44/54/47/367445447.db2.gz LCYMUBNODCQOBC-CYBMUJFWSA-N 2 1 294.468 2.397 20 30 CEEDMP C=CCOc1ccc(C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)cc1OC ZINC000346652672 368753183 /nfs/dbraw/zinc/75/31/83/368753183.db2.gz HVCKWZVGTMUJOE-HIFRSBDPSA-N 2 1 290.407 2.429 20 30 CEEDMP C=CCOCCC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000348047907 368873800 /nfs/dbraw/zinc/87/38/00/368873800.db2.gz GJENGOCLWHCFIS-INIZCTEOSA-N 2 1 266.429 2.387 20 30 CEEDMP C=CCOc1ccc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cc1OC ZINC000635000027 369035125 /nfs/dbraw/zinc/03/51/25/369035125.db2.gz FMZFMOGYHMCMSJ-UKRRQHHQSA-N 2 1 290.407 2.287 20 30 CEEDMP C=C(C)C[NH+]1CCC(NC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC000635530434 369206656 /nfs/dbraw/zinc/20/66/56/369206656.db2.gz BINSXOBRWCWQAD-UHFFFAOYSA-N 2 1 295.471 2.121 20 30 CEEDMP C[C@H](CCC#N)[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000351413569 369634831 /nfs/dbraw/zinc/63/48/31/369634831.db2.gz MDJKIIYWSQNJMT-OAGGEKHMSA-N 2 1 293.455 2.500 20 30 CEEDMP C=CCC1([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)CCOCC1 ZINC000639313927 371219485 /nfs/dbraw/zinc/21/94/85/371219485.db2.gz BJXUJOWYTPGYCD-KGLIPLIRSA-N 2 1 252.402 2.184 20 30 CEEDMP C=CCC1([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)CCOCC1 ZINC000639313927 371219490 /nfs/dbraw/zinc/21/94/90/371219490.db2.gz BJXUJOWYTPGYCD-KGLIPLIRSA-N 2 1 252.402 2.184 20 30 CEEDMP CC[NH+](CC)[C@@H](CNC1=[NH+]C[C@H](C)N1)c1ccccc1 ZINC000261848959 371750161 /nfs/dbraw/zinc/75/01/61/371750161.db2.gz WNSREQANVAZOST-ZFWWWQNUSA-N 2 1 274.412 2.007 20 30 CEEDMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(C#N)n(C)c2)C[C@@H]1C ZINC000361562101 371924532 /nfs/dbraw/zinc/92/45/32/371924532.db2.gz AKVIHGDDTODDGE-DZGCQCFKSA-N 2 1 274.412 2.201 20 30 CEEDMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(C#N)n(C)c2)C[C@@H]1C ZINC000361562101 371924539 /nfs/dbraw/zinc/92/45/39/371924539.db2.gz AKVIHGDDTODDGE-DZGCQCFKSA-N 2 1 274.412 2.201 20 30 CEEDMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(C#N)n(C)c2)C[C@@H]1C ZINC000361562101 371924546 /nfs/dbraw/zinc/92/45/46/371924546.db2.gz AKVIHGDDTODDGE-DZGCQCFKSA-N 2 1 274.412 2.201 20 30 CEEDMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(C#N)n(C)c2)C[C@@H]1C ZINC000361562101 371924554 /nfs/dbraw/zinc/92/45/54/371924554.db2.gz AKVIHGDDTODDGE-DZGCQCFKSA-N 2 1 274.412 2.201 20 30 CEEDMP C=C(CC)C[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000644664398 373592345 /nfs/dbraw/zinc/59/23/45/373592345.db2.gz DUEFTEUFTLNYAR-MRXNPFEDSA-N 2 1 262.397 2.035 20 30 CEEDMP C=C(CC)C[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000644664398 373592354 /nfs/dbraw/zinc/59/23/54/373592354.db2.gz DUEFTEUFTLNYAR-MRXNPFEDSA-N 2 1 262.397 2.035 20 30 CEEDMP C=CCC[C@H](O)C[N@@H+](C)CCCc1[nH+]ccn1CCC ZINC000277156887 374419793 /nfs/dbraw/zinc/41/97/93/374419793.db2.gz JYADDNWCCYNDBG-HNNXBMFYSA-N 2 1 279.428 2.485 20 30 CEEDMP C=CCC[C@H](O)C[N@H+](C)CCCc1[nH+]ccn1CCC ZINC000277156887 374419802 /nfs/dbraw/zinc/41/98/02/374419802.db2.gz JYADDNWCCYNDBG-HNNXBMFYSA-N 2 1 279.428 2.485 20 30 CEEDMP C=CCCC[NH+](C)CC(O)C[N@@H+](C)CCCC=C ZINC000278027857 374709195 /nfs/dbraw/zinc/70/91/95/374709195.db2.gz DVTJIAFIAZCVFT-UHFFFAOYSA-N 2 1 254.418 2.143 20 30 CEEDMP C[NH+]1CC[C@@]2(CC[N@@H+](CCCOc3ccc(C#N)cc3)C2)C1 ZINC000319902134 376819579 /nfs/dbraw/zinc/81/95/79/376819579.db2.gz LTIXAEPGTCGUQO-GOSISDBHSA-N 2 1 299.418 2.355 20 30 CEEDMP CCC[N@H+](CCC[NH+](C)C)Cc1cc(C#N)n(C)c1 ZINC000290643789 376862407 /nfs/dbraw/zinc/86/24/07/376862407.db2.gz YQZYOPWRRODWPM-UHFFFAOYSA-N 2 1 262.401 2.060 20 30 CEEDMP CCC[N@@H+](CCC[NH+](C)C)Cc1cc(C#N)n(C)c1 ZINC000290643789 376862409 /nfs/dbraw/zinc/86/24/09/376862409.db2.gz YQZYOPWRRODWPM-UHFFFAOYSA-N 2 1 262.401 2.060 20 30 CEEDMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCSCc1ccccc1C#N ZINC000422989492 376909844 /nfs/dbraw/zinc/90/98/44/376909844.db2.gz LYXBTTHDGJDLNE-BBRMVZONSA-N 2 1 289.448 2.379 20 30 CEEDMP C#CCOc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000264983846 190149572 /nfs/dbraw/zinc/14/95/72/190149572.db2.gz VEIJXYBSTGOTKZ-DLBZAZTESA-N 2 1 284.403 2.415 20 30 CEEDMP C[C@H]1C[N@@H+](CCC[NH2+]CC(C)(C)CCC#N)CCCO1 ZINC000432368064 377755677 /nfs/dbraw/zinc/75/56/77/377755677.db2.gz ODHDCHAEIHXJHC-HNNXBMFYSA-N 2 1 281.444 2.407 20 30 CEEDMP N#C[C@H]1CC[C@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)C1 ZINC000442825255 378004310 /nfs/dbraw/zinc/00/43/10/378004310.db2.gz HGNOEKBNYTWKRT-HOTGVXAUSA-N 2 1 291.439 2.303 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000294947980 378031320 /nfs/dbraw/zinc/03/13/20/378031320.db2.gz IKCLFTBKABMCFU-LBPRGKRZSA-N 2 1 264.344 2.137 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000294947980 378031325 /nfs/dbraw/zinc/03/13/25/378031325.db2.gz IKCLFTBKABMCFU-LBPRGKRZSA-N 2 1 264.344 2.137 20 30 CEEDMP C=CCC[C@@H](O)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000305071072 379620572 /nfs/dbraw/zinc/62/05/72/379620572.db2.gz JIZTUTPSRVQBLL-HZPDHXFCSA-N 2 1 266.429 2.121 20 30 CEEDMP C[C@H](CNC(=[NH2+])Nc1cccc2c1CCCC2)[NH+](C)C ZINC000267307579 394676044 /nfs/dbraw/zinc/67/60/44/394676044.db2.gz NBECYNDLSHXOFX-GFCCVEGCSA-N 2 1 274.412 2.242 20 30 CEEDMP Cc1[nH+]ccn1CCCCNC(=[NH2+])NC1CCCCC1 ZINC000267458911 394680059 /nfs/dbraw/zinc/68/00/59/394680059.db2.gz UKJIYGPDXZZLBU-UHFFFAOYSA-N 2 1 277.416 2.209 20 30 CEEDMP CCc1cccc(NC(=[NH2+])NC[C@H]2CC[N@H+](CC)C2)c1 ZINC000104172396 394718953 /nfs/dbraw/zinc/71/89/53/394718953.db2.gz TZVXTYPJKUYQMX-CQSZACIVSA-N 2 1 274.412 2.317 20 30 CEEDMP C[N@H+]1CCC[C@@H](N2CC[NH+](CCCC(C)(C)C#N)CC2)C1 ZINC000363589150 394880960 /nfs/dbraw/zinc/88/09/60/394880960.db2.gz KSBPQOMCCNAHJD-MRXNPFEDSA-N 2 1 292.471 2.028 20 30 CEEDMP C#CCCCC[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000362031686 394842135 /nfs/dbraw/zinc/84/21/35/394842135.db2.gz DFEGNIGSOIHIAG-YESZJQIVSA-N 2 1 278.440 2.269 20 30 CEEDMP C[NH+](C)[C@@H]1CCC[N@@H+](CCCSCC#N)CC1 ZINC000372988670 395051327 /nfs/dbraw/zinc/05/13/27/395051327.db2.gz FPPYGQTYQKKPSP-CYBMUJFWSA-N 2 1 255.431 2.049 20 30 CEEDMP C=CCOCCC[NH+](C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000348061193 395134600 /nfs/dbraw/zinc/13/46/00/395134600.db2.gz YCHHPDOQYPJZKO-HUUCEWRRSA-N 2 1 254.418 2.241 20 30 CEEDMP C=CCOCCC[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000348061193 395134601 /nfs/dbraw/zinc/13/46/01/395134601.db2.gz YCHHPDOQYPJZKO-HUUCEWRRSA-N 2 1 254.418 2.241 20 30 CEEDMP C=CCOCCC[N@H+](C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000348061193 395134604 /nfs/dbraw/zinc/13/46/04/395134604.db2.gz YCHHPDOQYPJZKO-HUUCEWRRSA-N 2 1 254.418 2.241 20 30 CEEDMP Cc1[nH+]ccn1CCCC[NH2+]C[C@H](C#N)CCC#N ZINC000570082597 395581177 /nfs/dbraw/zinc/58/11/77/395581177.db2.gz OKAZOSSGMRMETH-AWEZNQCLSA-N 2 1 259.357 2.005 20 30 CEEDMP C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)C[N@H+](C)C(C)C ZINC000661116737 415103134 /nfs/dbraw/zinc/10/31/34/415103134.db2.gz ZRFNGPNJVLDCKP-BZUAXINKSA-N 2 1 268.445 2.412 20 30 CEEDMP C=CCCCC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655756584 415437475 /nfs/dbraw/zinc/43/74/75/415437475.db2.gz GZOBSVFTKQHYST-HNNXBMFYSA-N 2 1 252.402 2.186 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CO[C@@H](C3CC3)C2)CC1 ZINC000667837475 419824910 /nfs/dbraw/zinc/82/49/10/419824910.db2.gz TZAKNBFKSHYVPW-HZPDHXFCSA-N 2 1 264.413 2.184 20 30 CEEDMP C=CCOc1cccc(C[NH2+]C2CC[NH+](C)CC2)c1 ZINC000299429698 260185940 /nfs/dbraw/zinc/18/59/40/260185940.db2.gz WUJMAVONASFQMG-UHFFFAOYSA-N 2 1 260.381 2.435 20 30 CEEDMP C[NH+]=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)NC(C)C ZINC000072592793 264268670 /nfs/dbraw/zinc/26/86/70/264268670.db2.gz QAVKISUWYJZLDZ-ZDUSSCGKSA-N 2 1 294.468 2.458 20 30 CEEDMP N#CCCC[N@H+]1CCC2(C1)CC[NH+](CCCC#N)CC2 ZINC000369948832 267278326 /nfs/dbraw/zinc/27/83/26/267278326.db2.gz REFMAWGPXBSTOH-UHFFFAOYSA-N 2 1 274.412 2.382 20 30 CEEDMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2ccc(C#N)cc2)C1 ZINC000459738384 267336866 /nfs/dbraw/zinc/33/68/66/267336866.db2.gz RRGOLHNVDPFMRN-INIZCTEOSA-N 2 1 257.381 2.380 20 30 CEEDMP CC[NH+]1CCN([C@H]2CC[N@@H+](CCCC(C)(C)C#N)C2)CC1 ZINC000175212902 329166717 /nfs/dbraw/zinc/16/67/17/329166717.db2.gz FBGCNHAFZZKXCU-INIZCTEOSA-N 2 1 292.471 2.028 20 30 CEEDMP CN(C)C(=[NH2+])NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000178583631 329200974 /nfs/dbraw/zinc/20/09/74/329200974.db2.gz CEZNZLNMMZYBEC-WCQYABFASA-N 2 1 280.441 2.007 20 30 CEEDMP C=CCOc1ccccc1C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000262142893 330000730 /nfs/dbraw/zinc/00/07/30/330000730.db2.gz ZHSVNCRBGNBDKV-KRWDZBQOSA-N 2 1 272.392 2.437 20 30 CEEDMP C=CCOc1ccccc1C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000262142893 330000731 /nfs/dbraw/zinc/00/07/31/330000731.db2.gz ZHSVNCRBGNBDKV-KRWDZBQOSA-N 2 1 272.392 2.437 20 30 CEEDMP C[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)N1CCC2(C1)CCCCC2 ZINC000262422192 330009201 /nfs/dbraw/zinc/00/92/01/330009201.db2.gz BKZHTPKKFQJTBC-HNNXBMFYSA-N 2 1 292.471 2.170 20 30 CEEDMP C=CC[NH+]1CCC(N[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000422857284 330157847 /nfs/dbraw/zinc/15/78/47/330157847.db2.gz GQMDDUCSNBXIKS-BRWVUGGUSA-N 2 1 277.456 2.147 20 30 CEEDMP C=CCCOCC[NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000423008849 330165038 /nfs/dbraw/zinc/16/50/38/330165038.db2.gz BHGWHYCVALTULP-HOCLYGCPSA-N 2 1 262.397 2.127 20 30 CEEDMP C=C(C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)c1ccccc1 ZINC000423022872 330165807 /nfs/dbraw/zinc/16/58/07/330165807.db2.gz GIUFBNHLMBMBAM-KSZLIROESA-N 2 1 286.419 2.447 20 30 CEEDMP C#CC(C)(C)[N@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000491304724 332186009 /nfs/dbraw/zinc/18/60/09/332186009.db2.gz GTQZICKDRZHPFQ-UHFFFAOYSA-N 2 1 286.419 2.362 20 30 CEEDMP C#CC(C)(C)[N@@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000491304724 332186011 /nfs/dbraw/zinc/18/60/11/332186011.db2.gz GTQZICKDRZHPFQ-UHFFFAOYSA-N 2 1 286.419 2.362 20 30 CEEDMP C=C(C)CC[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000552072251 334285828 /nfs/dbraw/zinc/28/58/28/334285828.db2.gz QXXCYQNEDRLTLP-INIZCTEOSA-N 2 1 265.445 2.053 20 30 CEEDMP C[C@H]1CCC[C@@H]([NH+]2CCC(=NN3CC[NH+](C)CC3)CC2)C1 ZINC000733743049 574686078 /nfs/dbraw/zinc/68/60/78/574686078.db2.gz DAALWCIIFRAWHW-DOTOQJQBSA-N 2 1 292.471 2.264 20 30 CEEDMP C[C@@H]1CCCC[C@H]1[NH+]1CCC(=NN2CC[NH+](C)CC2)CC1 ZINC000733902346 574690109 /nfs/dbraw/zinc/69/01/09/574690109.db2.gz QNFFUUPWVWVYOA-NVXWUHKLSA-N 2 1 292.471 2.264 20 30 CEEDMP C=C(Cl)C[N@H+]1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC000747531847 575171978 /nfs/dbraw/zinc/17/19/78/575171978.db2.gz QCPOCFDIAFVEQA-CYBMUJFWSA-N 2 1 260.809 2.172 20 30 CEEDMP C=C(Cl)C[N@@H+]1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC000747531847 575171979 /nfs/dbraw/zinc/17/19/79/575171979.db2.gz QCPOCFDIAFVEQA-CYBMUJFWSA-N 2 1 260.809 2.172 20 30 CEEDMP CC[N@@H+](CCNC(=[NH2+])Nc1cccc(C)c1)C1CC1 ZINC000104191608 624321437 /nfs/dbraw/zinc/32/14/37/624321437.db2.gz LBGFIRCFRKITAF-UHFFFAOYSA-N 2 1 260.385 2.206 20 30 CEEDMP CC(C)C[N@H+]1CCC[C@@H](CNC(=[NH2+])NC(C)(C)C)C1 ZINC000157394277 624975397 /nfs/dbraw/zinc/97/53/97/624975397.db2.gz CHHVVBUAPZCXJD-ZDUSSCGKSA-N 2 1 268.449 2.057 20 30 CEEDMP Cc1cc(C#N)ccc1NCC[N@@H+](C)CCC[NH+](C)C ZINC000894521702 629508701 /nfs/dbraw/zinc/50/87/01/629508701.db2.gz RLUFJFLDEXEAAQ-UHFFFAOYSA-N 2 1 274.412 2.162 20 30 CEEDMP C#CC[C@H](CO)[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000895490023 630217312 /nfs/dbraw/zinc/21/73/12/630217312.db2.gz JSXJELOIGXDFDM-SCTDSRPQSA-N 2 1 298.430 2.328 20 30 CEEDMP C#CC[C@H](CO)[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000895490023 630217318 /nfs/dbraw/zinc/21/73/18/630217318.db2.gz JSXJELOIGXDFDM-SCTDSRPQSA-N 2 1 298.430 2.328 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)Cc1ccccc1C ZINC000815652273 633043419 /nfs/dbraw/zinc/04/34/19/633043419.db2.gz VURUMVNSZQELMR-INIZCTEOSA-N 2 1 258.409 2.471 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)Cc1ccccc1C ZINC000815652273 633043426 /nfs/dbraw/zinc/04/34/26/633043426.db2.gz VURUMVNSZQELMR-INIZCTEOSA-N 2 1 258.409 2.471 20 30 CEEDMP C#CC[N@@H+](C)CCCNC1CC[NH+](C2CCCCC2)CC1 ZINC000815651777 633043984 /nfs/dbraw/zinc/04/39/84/633043984.db2.gz CLVJQELPSGQQBV-UHFFFAOYSA-N 2 1 291.483 2.328 20 30 CEEDMP C#CCN(C)CCC[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000815651777 633043988 /nfs/dbraw/zinc/04/39/88/633043988.db2.gz CLVJQELPSGQQBV-UHFFFAOYSA-N 2 1 291.483 2.328 20 30 CEEDMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(C#N)cn1 ZINC000817931108 633785674 /nfs/dbraw/zinc/78/56/74/633785674.db2.gz JACDERZHRLYNHW-UKRRQHHQSA-N 2 1 272.396 2.354 20 30 CEEDMP Cc1[nH+]ccn1CCCC[NH2+]C[C@@H](O)c1ccc(C#N)cc1 ZINC000819099828 634068051 /nfs/dbraw/zinc/06/80/51/634068051.db2.gz CIBWZFVDNSYIMI-QGZVFWFLSA-N 2 1 298.390 2.167 20 30 CEEDMP C=CCOCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903200842 635010285 /nfs/dbraw/zinc/01/02/85/635010285.db2.gz SWIHACLGAQXXQB-VHRNVKJDSA-N 2 1 264.413 2.327 20 30 CEEDMP Cc1ccc(C[N@@H+]2CC[NH2+]CCC23CCOCC3)cc1C#N ZINC000903818638 635287977 /nfs/dbraw/zinc/28/79/77/635287977.db2.gz QMUBMSCZINTXMY-UHFFFAOYSA-N 2 1 299.418 2.211 20 30 CEEDMP Cc1ccc(C[N@H+]2CC[NH2+]CCC23CCOCC3)cc1C#N ZINC000903818638 635287982 /nfs/dbraw/zinc/28/79/82/635287982.db2.gz QMUBMSCZINTXMY-UHFFFAOYSA-N 2 1 299.418 2.211 20 30 CEEDMP C=C(C[NH+](C)C)C(=O)NC[C@H]1CC[N@H+]1C1CCCCCC1 ZINC000826659934 635803302 /nfs/dbraw/zinc/80/33/02/635803302.db2.gz HPHUARCFTVSVBY-MRXNPFEDSA-N 2 1 293.455 2.018 20 30 CEEDMP CCN(CC)C(=[NH2+])NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000157387712 639487172 /nfs/dbraw/zinc/48/71/72/639487172.db2.gz PPIMQJYSGILNSQ-CQSZACIVSA-N 2 1 268.449 2.011 20 30 CEEDMP C#C[C@@H]1CCC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000848924457 642196907 /nfs/dbraw/zinc/19/69/07/642196907.db2.gz SRDIIOWABAOOBB-QGZVFWFLSA-N 2 1 297.446 2.284 20 30 CEEDMP C=CCNC(=[NH2+])NCCC[N@H+](CC)C1CCCCC1 ZINC000849047511 642256870 /nfs/dbraw/zinc/25/68/70/642256870.db2.gz ZKBUMVIRJLVLTJ-UHFFFAOYSA-N 2 1 266.433 2.331 20 30 CEEDMP C#CCCCCC[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000878311234 651062718 /nfs/dbraw/zinc/06/27/18/651062718.db2.gz FRTQTPXKRAPCIW-UHFFFAOYSA-N 2 1 279.472 2.138 20 30 CEEDMP C[N@H+]1CC[C@H]([NH2+][C@H]2Cc3ccc(C#N)cc3C2)CC1(C)C ZINC000865847554 647491226 /nfs/dbraw/zinc/49/12/26/647491226.db2.gz NAFZDAIPSIHJJD-IRXDYDNUSA-N 2 1 283.419 2.488 20 30 CEEDMP C[C@@H]1C[C@@H]([NH2+][C@H]2Cc3ccc(C#N)cc3C2)CC[N@@H+]1C ZINC000866617908 647844062 /nfs/dbraw/zinc/84/40/62/647844062.db2.gz REBAKZDHMTWLHE-DQYPLSBCSA-N 2 1 269.392 2.098 20 30 CEEDMP C[C@@H]1C[C@@H]([NH2+][C@H]2Cc3ccc(C#N)cc3C2)CC[N@H+]1C ZINC000866617908 647844065 /nfs/dbraw/zinc/84/40/65/647844065.db2.gz REBAKZDHMTWLHE-DQYPLSBCSA-N 2 1 269.392 2.098 20 30 CEEDMP C=CCCCCC[C@@H](C)[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000793529259 648770691 /nfs/dbraw/zinc/77/06/91/648770691.db2.gz WFOOKHJBQLZFHC-MRXNPFEDSA-N 2 1 295.471 2.265 20 30 CEEDMP C=C(C[NH+](C)C)C(=O)Nc1cc[nH+]c(N2CCCCC2)c1 ZINC000888574603 649083304 /nfs/dbraw/zinc/08/33/04/649083304.db2.gz IUFKJTJBXIETJG-UHFFFAOYSA-N 2 1 288.395 2.128 20 30 CEEDMP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](Cc2ccc(C#N)o2)C1 ZINC000872144969 649295907 /nfs/dbraw/zinc/29/59/07/649295907.db2.gz JUWFUSMEINQZOB-OAHLLOKOSA-N 2 1 261.369 2.348 20 30 CEEDMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](Cc2ccc(C#N)o2)C1 ZINC000872144969 649295908 /nfs/dbraw/zinc/29/59/08/649295908.db2.gz JUWFUSMEINQZOB-OAHLLOKOSA-N 2 1 261.369 2.348 20 30 CEEDMP C[N@@H+]1CC[C@@H]2C[NH+](CCCOc3cccc(C#N)c3)CC[C@@H]21 ZINC000879575494 651324519 /nfs/dbraw/zinc/32/45/19/651324519.db2.gz LAEBROCYYNBMMX-AEFFLSMTSA-N 2 1 299.418 2.353 20 30 CEEDMP C[N@H+]1CC[C@@H]2C[NH+](CCCOc3cccc(C#N)c3)CC[C@@H]21 ZINC000879575494 651324521 /nfs/dbraw/zinc/32/45/21/651324521.db2.gz LAEBROCYYNBMMX-AEFFLSMTSA-N 2 1 299.418 2.353 20 30 CEEDMP C[NH+]1CC[C@@H]2C[N@H+](CCCOc3cccc(C#N)c3)CC[C@@H]21 ZINC000879575494 651324523 /nfs/dbraw/zinc/32/45/23/651324523.db2.gz LAEBROCYYNBMMX-AEFFLSMTSA-N 2 1 299.418 2.353 20 30 CEEDMP C[NH+]1CC[C@@H]2C[N@@H+](CCCOc3cccc(C#N)c3)CC[C@@H]21 ZINC000879575494 651324524 /nfs/dbraw/zinc/32/45/24/651324524.db2.gz LAEBROCYYNBMMX-AEFFLSMTSA-N 2 1 299.418 2.353 20 30 CEEDMP FC[C@@H]1CCC[NH+](CC#CC[N@@H+]2CCC[C@@H](CF)C2)C1 ZINC000880236928 651406216 /nfs/dbraw/zinc/40/62/16/651406216.db2.gz MJKVQGMFQZAKKC-HOTGVXAUSA-N 2 1 284.394 2.353 20 30 CEEDMP C=CCC[C@H]([NH2+]C1CC[NH+](C)CC1)[C@H]1CCCO1 ZINC000883166921 652385864 /nfs/dbraw/zinc/38/58/64/652385864.db2.gz LPWSVUFCGXHKBT-LSDHHAIUSA-N 2 1 252.402 2.184 20 30 CEEDMP Cc1[nH+]c(N2CCC(C[NH+](C)C)CC2)ccc1CC#N ZINC001165045628 721949615 /nfs/dbraw/zinc/94/96/15/721949615.db2.gz SSLHSJARWOPNHG-UHFFFAOYSA-N 2 1 272.396 2.234 20 30 CEEDMP C=CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001271020577 805717743 /nfs/dbraw/zinc/71/77/43/805717743.db2.gz ACFMZGXMEPZUBX-HZPDHXFCSA-N 2 1 295.471 2.119 20 30 CEEDMP C=CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001271261631 805904896 /nfs/dbraw/zinc/90/48/96/805904896.db2.gz OTDXDKYKEAASQB-CVEARBPZSA-N 2 1 295.471 2.166 20 30 CEEDMP C=CCn1ccc2c1nc[nH+]c2NC1(C)CC[NH2+]CC1 ZINC001168184376 806381382 /nfs/dbraw/zinc/38/13/82/806381382.db2.gz YRJVKOQTBPBLGD-UHFFFAOYSA-N 2 1 271.368 2.171 20 30 CEEDMP C[NH+](C)CCC[N@@H+](C)CCCc1cccc(C#N)c1 ZINC001208843896 802420921 /nfs/dbraw/zinc/42/09/21/802420921.db2.gz ARNRVHAVZUDFEB-UHFFFAOYSA-N 2 1 259.397 2.374 20 30 CEEDMP C=C(C)CC[NH+]1CC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001038240509 803178418 /nfs/dbraw/zinc/17/84/18/803178418.db2.gz QJNPYOBIOBZFSF-JKSUJKDBSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CC[NH2+][C@@H](C)CN(C)C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001283611437 803509736 /nfs/dbraw/zinc/50/97/36/803509736.db2.gz BVTDAWONHVSDRK-UONOGXRCSA-N 2 1 292.427 2.019 20 30 CEEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001267728723 803679686 /nfs/dbraw/zinc/67/96/86/803679686.db2.gz KKCDRTSZKSWEAH-HNNXBMFYSA-N 2 1 295.471 2.121 20 30 CEEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001267728723 803679691 /nfs/dbraw/zinc/67/96/91/803679691.db2.gz KKCDRTSZKSWEAH-HNNXBMFYSA-N 2 1 295.471 2.121 20 30 CEEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001267728723 803679694 /nfs/dbraw/zinc/67/96/94/803679694.db2.gz KKCDRTSZKSWEAH-HNNXBMFYSA-N 2 1 295.471 2.121 20 30 CEEDMP C=CCC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001027918148 804341947 /nfs/dbraw/zinc/34/19/47/804341947.db2.gz KQUPUYDNVNKYPO-JKSUJKDBSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1CCC ZINC001027918148 804341955 /nfs/dbraw/zinc/34/19/55/804341955.db2.gz KQUPUYDNVNKYPO-JKSUJKDBSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1CCC ZINC001027918148 804341961 /nfs/dbraw/zinc/34/19/61/804341961.db2.gz KQUPUYDNVNKYPO-JKSUJKDBSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001268748099 804957656 /nfs/dbraw/zinc/95/76/56/804957656.db2.gz DJUAYIGYFINBBQ-HZPDHXFCSA-N 2 1 295.471 2.262 20 30 CEEDMP C=CCC[NH+](C)C[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001268748099 804957661 /nfs/dbraw/zinc/95/76/61/804957661.db2.gz DJUAYIGYFINBBQ-HZPDHXFCSA-N 2 1 295.471 2.262 20 30 CEEDMP C=CCC[NH+](C)C[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001268748099 804957667 /nfs/dbraw/zinc/95/76/67/804957667.db2.gz DJUAYIGYFINBBQ-HZPDHXFCSA-N 2 1 295.471 2.262 20 30 CEEDMP C=C(C)C[N@H+](C)CCN(C(=O)[C@H](CC)[NH+](C)C)C(C)C ZINC001284552905 805202159 /nfs/dbraw/zinc/20/21/59/805202159.db2.gz ABWLBUOHCFSUSI-HNNXBMFYSA-N 2 1 283.460 2.072 20 30 CEEDMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1CCCc1ccc(C#N)cc1 ZINC001205064842 807197251 /nfs/dbraw/zinc/19/72/51/807197251.db2.gz XKWFPHWCUDDIKY-BBRMVZONSA-N 2 1 257.381 2.302 20 30 CEEDMP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1CCCc1ccc(C#N)cc1 ZINC001205064842 807197260 /nfs/dbraw/zinc/19/72/60/807197260.db2.gz XKWFPHWCUDDIKY-BBRMVZONSA-N 2 1 257.381 2.302 20 30 CEEDMP C=CCc1cccc(C[N@H+]2C[C@@H]3CC[C@]3([NH3+])C2)c1O ZINC001235982352 807905016 /nfs/dbraw/zinc/90/50/16/807905016.db2.gz VBHXLGXZMPGZQW-HOCLYGCPSA-N 2 1 258.365 2.044 20 30 CEEDMP C=CCc1cccc(C[N@@H+]2C[C@@H]3CC[C@]3([NH3+])C2)c1O ZINC001235982352 807905018 /nfs/dbraw/zinc/90/50/18/807905018.db2.gz VBHXLGXZMPGZQW-HOCLYGCPSA-N 2 1 258.365 2.044 20 30 CEEDMP C=CCC[NH2+]C1(CNC(=O)C[N@H+](C)CCC)CCCCC1 ZINC001120045980 815191487 /nfs/dbraw/zinc/19/14/87/815191487.db2.gz LFCMJFRHWMYNMT-UHFFFAOYSA-N 2 1 295.471 2.313 20 30 CEEDMP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001171817105 815233069 /nfs/dbraw/zinc/23/30/69/815233069.db2.gz QNLQAAUBWZEQCY-AWEZNQCLSA-N 2 1 292.427 2.032 20 30 CEEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001015791098 810354223 /nfs/dbraw/zinc/35/42/23/810354223.db2.gz ADVQSPZRBBTUDT-HOTGVXAUSA-N 2 1 293.455 2.016 20 30 CEEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001015791098 810354230 /nfs/dbraw/zinc/35/42/30/810354230.db2.gz ADVQSPZRBBTUDT-HOTGVXAUSA-N 2 1 293.455 2.016 20 30 CEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001015791098 810354235 /nfs/dbraw/zinc/35/42/35/810354235.db2.gz ADVQSPZRBBTUDT-HOTGVXAUSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CCCC[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC001122002868 815376924 /nfs/dbraw/zinc/37/69/24/815376924.db2.gz LNKNIBIVZGMAPT-ILXRZTDVSA-N 2 1 281.444 2.001 20 30 CEEDMP C[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)CCC[C@@H]1C[NH3+] ZINC001206013004 811575339 /nfs/dbraw/zinc/57/53/39/811575339.db2.gz OQTSSPLUNOWYFQ-VXGBXAGGSA-N 2 1 263.410 2.427 20 30 CEEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C2 ZINC001109447653 811891389 /nfs/dbraw/zinc/89/13/89/811891389.db2.gz YQCMMXSZHYSARJ-QXSJWSMHSA-N 2 1 293.455 2.014 20 30 CEEDMP CCCCCCC[NH+]1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001113010602 812142538 /nfs/dbraw/zinc/14/25/38/812142538.db2.gz FJXYPBLNSSDCBV-MRXNPFEDSA-N 2 1 297.487 2.441 20 30 CEEDMP C=CCC[NH+]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)CC[C@@H]1C ZINC001132152425 812792884 /nfs/dbraw/zinc/79/28/84/812792884.db2.gz CDIFYGCOLJQGMZ-GJZGRUSLSA-N 2 1 295.471 2.262 20 30 CEEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)CC[C@@H]1C ZINC001132152425 812792890 /nfs/dbraw/zinc/79/28/90/812792890.db2.gz CDIFYGCOLJQGMZ-GJZGRUSLSA-N 2 1 295.471 2.262 20 30 CEEDMP C=CCC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)CC[C@@H]1C ZINC001132152425 812792894 /nfs/dbraw/zinc/79/28/94/812792894.db2.gz CDIFYGCOLJQGMZ-GJZGRUSLSA-N 2 1 295.471 2.262 20 30 CEEDMP C=CCCC[N@@H+]1C[C@H](NC(=O)C[NH+](C)C(C)C)CC[C@H]1C ZINC001132517636 812870880 /nfs/dbraw/zinc/87/08/80/812870880.db2.gz FWVSZCAKHSEIHR-HZPDHXFCSA-N 2 1 295.471 2.262 20 30 CEEDMP C=CCCC[N@H+]1C[C@H](NC(=O)C[NH+](C)C(C)C)CC[C@H]1C ZINC001132517636 812870888 /nfs/dbraw/zinc/87/08/88/812870888.db2.gz FWVSZCAKHSEIHR-HZPDHXFCSA-N 2 1 295.471 2.262 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+]Cc1cc(C)sc1C ZINC000393954865 813333130 /nfs/dbraw/zinc/33/31/30/813333130.db2.gz BTZMLJVLEFCBFH-UHFFFAOYSA-N 2 1 250.411 2.410 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1cc(C)sc1C ZINC000393954865 813333137 /nfs/dbraw/zinc/33/31/37/813333137.db2.gz BTZMLJVLEFCBFH-UHFFFAOYSA-N 2 1 250.411 2.410 20 30 CEEDMP C=CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001135475474 813442699 /nfs/dbraw/zinc/44/26/99/813442699.db2.gz AVZICTCMEZYCTM-HUUCEWRRSA-N 2 1 295.471 2.167 20 30 CEEDMP C=CCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@H+](C)CCC ZINC001135980592 813577088 /nfs/dbraw/zinc/57/70/88/813577088.db2.gz QHBYDFVEYIKJJK-HUUCEWRRSA-N 2 1 283.460 2.167 20 30 CEEDMP C=CCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001146603686 814299956 /nfs/dbraw/zinc/29/99/56/814299956.db2.gz YLMXQXNGWRVBIP-GJZGRUSLSA-N 2 1 283.460 2.166 20 30 CEEDMP C=CCOC1CCC([NH2+]C[C@H]2CCC[N@H+](C)C2)CC1 ZINC001173312997 815664525 /nfs/dbraw/zinc/66/45/25/815664525.db2.gz PMJVVKWMSHFBEK-QQFBHYJXSA-N 2 1 266.429 2.432 20 30 CEEDMP CC1(C#N)CCC([N@H+]2CCc3[nH+]ccn3CC2)CC1 ZINC001173598957 815758266 /nfs/dbraw/zinc/75/82/66/815758266.db2.gz XCIPFTMPNGVAJT-UHFFFAOYSA-N 2 1 258.369 2.214 20 30 CEEDMP CC1(C#N)CCC([N@@H+]2CCc3[nH+]ccn3CC2)CC1 ZINC001173598957 815758269 /nfs/dbraw/zinc/75/82/69/815758269.db2.gz XCIPFTMPNGVAJT-UHFFFAOYSA-N 2 1 258.369 2.214 20 30 CEEDMP C#CCOc1ccc(C[NH+]2C[C@H]3C[N@H+](CC)C[C@H]3C2)cc1 ZINC001138560626 815830273 /nfs/dbraw/zinc/83/02/73/815830273.db2.gz DGFUXYFQTGKPCT-CALCHBBNSA-N 2 1 284.403 2.082 20 30 CEEDMP C#CCOc1ccc(C[NH+]2C[C@H]3C[N@@H+](CC)C[C@H]3C2)cc1 ZINC001138560626 815830279 /nfs/dbraw/zinc/83/02/79/815830279.db2.gz DGFUXYFQTGKPCT-CALCHBBNSA-N 2 1 284.403 2.082 20 30 CEEDMP C#CCOc1ccc(C[N@@H+]2C[C@H]3C[NH+](CC)C[C@H]3C2)cc1 ZINC001138560626 815830287 /nfs/dbraw/zinc/83/02/87/815830287.db2.gz DGFUXYFQTGKPCT-CALCHBBNSA-N 2 1 284.403 2.082 20 30 CEEDMP C#CCOc1ccc(C[N@H+]2C[C@H]3C[NH+](CC)C[C@H]3C2)cc1 ZINC001138560626 815830292 /nfs/dbraw/zinc/83/02/92/815830292.db2.gz DGFUXYFQTGKPCT-CALCHBBNSA-N 2 1 284.403 2.082 20 30 CEEDMP C=CCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001176563619 816441482 /nfs/dbraw/zinc/44/14/82/816441482.db2.gz GGMXYBGQFOGPGA-CVEARBPZSA-N 2 1 295.471 2.169 20 30 CEEDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CCC(C)(C)C#N ZINC000345735256 282211109 /nfs/dbraw/zinc/21/11/09/282211109.db2.gz ZJMGHFZTVICMAD-RBSFLKMASA-N 2 1 279.428 2.110 20 30 CEEDMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000333281205 539322784 /nfs/dbraw/zinc/32/27/84/539322784.db2.gz MLRNCKFXOTVOAL-KDOFPFPSSA-N 2 1 298.434 2.257 20 30 CEEDMP CC[C@H](C)NC(=[NH2+])NCCC[N@@H+](C)Cc1ccccc1 ZINC000060344338 343656685 /nfs/dbraw/zinc/65/66/85/343656685.db2.gz IGODKJSOTIVEQY-AWEZNQCLSA-N 2 1 276.428 2.211 20 30 CEEDMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC000135688094 344382469 /nfs/dbraw/zinc/38/24/69/344382469.db2.gz YKYFUYZYCCEABG-LBPRGKRZSA-N 2 1 263.410 2.440 20 30 CEEDMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC000135688094 344382471 /nfs/dbraw/zinc/38/24/71/344382471.db2.gz YKYFUYZYCCEABG-LBPRGKRZSA-N 2 1 263.410 2.440 20 30 CEEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000602516401 347064396 /nfs/dbraw/zinc/06/43/96/347064396.db2.gz KQKQXHRFHQGHHD-PMPSAXMXSA-N 2 1 291.439 2.302 20 30 CEEDMP N#CC1CCC([NH2+]CC2([NH+]3CCCC3)CCOCC2)CC1 ZINC000602542484 347070986 /nfs/dbraw/zinc/07/09/86/347070986.db2.gz YLMLPYOAFLFHNJ-UHFFFAOYSA-N 2 1 291.439 2.303 20 30 CEEDMP N#CCc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000399137771 344857226 /nfs/dbraw/zinc/85/72/26/344857226.db2.gz SDOULUFPOVLHCP-IRXDYDNUSA-N 2 1 269.392 2.469 20 30 CEEDMP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccc(C#N)cc1F ZINC000591570769 345264483 /nfs/dbraw/zinc/26/44/83/345264483.db2.gz KBYXZGSFODKHRK-XHDPSFHLSA-N 2 1 261.344 2.175 20 30 CEEDMP C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccc(CC#N)cc1)CCO2 ZINC000592185575 345335311 /nfs/dbraw/zinc/33/53/11/345335311.db2.gz ZTADUPZKMGMIGE-UHFFFAOYSA-N 2 1 299.418 2.049 20 30 CEEDMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H](C)CC2(C#N)CCOCC2)C1 ZINC000602654472 347125571 /nfs/dbraw/zinc/12/55/71/347125571.db2.gz BVONIFKKQIWWBC-HZPDHXFCSA-N 2 1 293.455 2.405 20 30 CEEDMP Cc1[nH+]ccn1CC[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC000602907181 347243370 /nfs/dbraw/zinc/24/33/70/347243370.db2.gz OZKONPKYWPEXPZ-UHFFFAOYSA-N 2 1 295.390 2.338 20 30 CEEDMP N#Cc1cc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)ccn1 ZINC000610995109 347730184 /nfs/dbraw/zinc/73/01/84/347730184.db2.gz HQYXALGZFMKMAU-YJBOKZPZSA-N 2 1 296.418 2.402 20 30 CEEDMP C=CCN1CCC([NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000623407835 350010947 /nfs/dbraw/zinc/01/09/47/350010947.db2.gz ZAOGTCXTBYLWEC-HNNXBMFYSA-N 3 1 265.445 2.099 20 30 CEEDMP C=CC[NH+]1CCC(N[C@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000623407835 350010952 /nfs/dbraw/zinc/01/09/52/350010952.db2.gz ZAOGTCXTBYLWEC-HNNXBMFYSA-N 2 1 265.445 2.099 20 30 CEEDMP CCC[NH+]1CCC([N@@H+](C)CCCSCC#N)CC1 ZINC000080737636 363681340 /nfs/dbraw/zinc/68/13/40/363681340.db2.gz QMWJFHOOPBNOPM-UHFFFAOYSA-N 2 1 269.458 2.439 20 30 CEEDMP N#Cc1ccc(OCC[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000150809412 366598256 /nfs/dbraw/zinc/59/82/56/366598256.db2.gz LEFHPNFFIFJVEQ-KRWDZBQOSA-N 2 1 299.418 2.355 20 30 CEEDMP N#Cc1ccc(OCC[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000150809412 366598268 /nfs/dbraw/zinc/59/82/68/366598268.db2.gz LEFHPNFFIFJVEQ-KRWDZBQOSA-N 2 1 299.418 2.355 20 30 CEEDMP C=CCCCCC[N@@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000193340165 369929457 /nfs/dbraw/zinc/92/94/57/369929457.db2.gz IILKZSOLJYLUCN-KRWDZBQOSA-N 2 1 279.472 2.445 20 30 CEEDMP C[N@H+]1CCC[C@@H]2CN(CCOc3ccccc3C#N)CC[C@H]21 ZINC000247967046 371150368 /nfs/dbraw/zinc/15/03/68/371150368.db2.gz IENDDQIQQNWPAL-IAGOWNOFSA-N 2 1 299.418 2.353 20 30 CEEDMP C[N@@H+]1CCC[C@@H]2C[NH+](CCOc3ccccc3C#N)CC[C@H]21 ZINC000247967046 371150371 /nfs/dbraw/zinc/15/03/71/371150371.db2.gz IENDDQIQQNWPAL-IAGOWNOFSA-N 2 1 299.418 2.353 20 30 CEEDMP C[N@H+]1CCC[C@@H]2C[NH+](CCOc3ccccc3C#N)CC[C@H]21 ZINC000247967046 371150376 /nfs/dbraw/zinc/15/03/76/371150376.db2.gz IENDDQIQQNWPAL-IAGOWNOFSA-N 2 1 299.418 2.353 20 30 CEEDMP C[NH+]1CCC[C@@H]2C[N@H+](CCOc3ccccc3C#N)CC[C@H]21 ZINC000247967046 371150380 /nfs/dbraw/zinc/15/03/80/371150380.db2.gz IENDDQIQQNWPAL-IAGOWNOFSA-N 2 1 299.418 2.353 20 30 CEEDMP C[NH+]1CCC[C@@H]2C[N@@H+](CCOc3ccccc3C#N)CC[C@H]21 ZINC000247967046 371150386 /nfs/dbraw/zinc/15/03/86/371150386.db2.gz IENDDQIQQNWPAL-IAGOWNOFSA-N 2 1 299.418 2.353 20 30 CEEDMP N#C[C@H]1CCC[C@@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)C1 ZINC000361458230 371855596 /nfs/dbraw/zinc/85/55/96/371855596.db2.gz FKOCUEQMQGITCF-JKSUJKDBSA-N 2 1 291.439 2.303 20 30 CEEDMP C[NH+]=C(NCc1ccco1)NC[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000264045826 371957285 /nfs/dbraw/zinc/95/72/85/371957285.db2.gz KQOPZOAXKSDOLN-KBPBESRZSA-N 2 1 292.427 2.065 20 30 CEEDMP CCC[N@H+]1CC[C@H](CNC(=[NH2+])Nc2ccc(OC)cc2)C1 ZINC000264118551 371974001 /nfs/dbraw/zinc/97/40/01/371974001.db2.gz UAGIJDAFIVAKLY-CYBMUJFWSA-N 2 1 290.411 2.154 20 30 CEEDMP C[C@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(C#N)c(F)c1 ZINC000271919057 373213573 /nfs/dbraw/zinc/21/35/73/373213573.db2.gz HHOZQECIKRFJOM-NSHDSACASA-N 2 1 261.344 2.442 20 30 CEEDMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(C#N)cc1 ZINC000275057348 374141215 /nfs/dbraw/zinc/14/12/15/374141215.db2.gz XUHQJHQCHQRPRT-CZUORRHYSA-N 2 1 257.381 2.330 20 30 CEEDMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(C#N)cc1 ZINC000275057348 374141223 /nfs/dbraw/zinc/14/12/23/374141223.db2.gz XUHQJHQCHQRPRT-CZUORRHYSA-N 2 1 257.381 2.330 20 30 CEEDMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(C#N)cc1 ZINC000275057348 374141228 /nfs/dbraw/zinc/14/12/28/374141228.db2.gz XUHQJHQCHQRPRT-CZUORRHYSA-N 2 1 257.381 2.330 20 30 CEEDMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000275057348 374141234 /nfs/dbraw/zinc/14/12/34/374141234.db2.gz XUHQJHQCHQRPRT-CZUORRHYSA-N 2 1 257.381 2.330 20 30 CEEDMP CN1CC[C@H]2CC[N@@H+](CCCC3(C#N)CCOCC3)[C@H]2C1 ZINC000375213766 374645651 /nfs/dbraw/zinc/64/56/51/374645651.db2.gz BWEMDINQSKYTQQ-HOTGVXAUSA-N 2 1 291.439 2.113 20 30 CEEDMP C[N@@H+]1CC[C@H]2CCN(CCCC3(C#N)CCOCC3)[C@H]2C1 ZINC000375213766 374645657 /nfs/dbraw/zinc/64/56/57/374645657.db2.gz BWEMDINQSKYTQQ-HOTGVXAUSA-N 2 1 291.439 2.113 20 30 CEEDMP C[N@H+]1CC[C@H]2CCN(CCCC3(C#N)CCOCC3)[C@H]2C1 ZINC000375213766 374645663 /nfs/dbraw/zinc/64/56/63/374645663.db2.gz BWEMDINQSKYTQQ-HOTGVXAUSA-N 2 1 291.439 2.113 20 30 CEEDMP C[N@@H+]1CC[C@H]2CC[NH+](CCCC3(C#N)CCOCC3)[C@H]2C1 ZINC000375213766 374645668 /nfs/dbraw/zinc/64/56/68/374645668.db2.gz BWEMDINQSKYTQQ-HOTGVXAUSA-N 2 1 291.439 2.113 20 30 CEEDMP C[N@H+]1CC[C@H]2CC[NH+](CCCC3(C#N)CCOCC3)[C@H]2C1 ZINC000375213766 374645677 /nfs/dbraw/zinc/64/56/77/374645677.db2.gz BWEMDINQSKYTQQ-HOTGVXAUSA-N 2 1 291.439 2.113 20 30 CEEDMP C[NH+]1CC[C@H]2CC[N@H+](CCCC3(C#N)CCOCC3)[C@H]2C1 ZINC000375213766 374645681 /nfs/dbraw/zinc/64/56/81/374645681.db2.gz BWEMDINQSKYTQQ-HOTGVXAUSA-N 2 1 291.439 2.113 20 30 CEEDMP C[NH+]1CC[C@H]2CC[N@@H+](CCCC3(C#N)CCOCC3)[C@H]2C1 ZINC000375213766 374645688 /nfs/dbraw/zinc/64/56/88/374645688.db2.gz BWEMDINQSKYTQQ-HOTGVXAUSA-N 2 1 291.439 2.113 20 30 CEEDMP CCCc1[nH+]ccn1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000328807919 376901580 /nfs/dbraw/zinc/90/15/80/376901580.db2.gz IJPWEJOLOMTLPJ-UHFFFAOYSA-N 2 1 290.411 2.419 20 30 CEEDMP C=CC[C@H](Cc1ccccc1)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000564856316 377480532 /nfs/dbraw/zinc/48/05/32/377480532.db2.gz GHAZBPBEUCUMJJ-AEFFLSMTSA-N 2 1 288.435 2.219 20 30 CEEDMP C=CC[C@H](Cc1ccccc1)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000564856316 377480539 /nfs/dbraw/zinc/48/05/39/377480539.db2.gz GHAZBPBEUCUMJJ-AEFFLSMTSA-N 2 1 288.435 2.219 20 30 CEEDMP C=CCC[C@@H](O)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000305071074 379620644 /nfs/dbraw/zinc/62/06/44/379620644.db2.gz JIZTUTPSRVQBLL-JKSUJKDBSA-N 2 1 266.429 2.121 20 30 CEEDMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185770491 262069778 /nfs/dbraw/zinc/06/97/78/262069778.db2.gz HATABNJNSMDAJC-AEGPPILISA-N 2 1 260.385 2.500 20 30 CEEDMP CCN(CC)C(=[NH2+])NC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000267476464 394681286 /nfs/dbraw/zinc/68/12/86/394681286.db2.gz ZKCIAIINQATELL-AWEZNQCLSA-N 2 1 276.428 2.163 20 30 CEEDMP CCN(CC)C(=[NH2+])NC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000267476464 394681287 /nfs/dbraw/zinc/68/12/87/394681287.db2.gz ZKCIAIINQATELL-AWEZNQCLSA-N 2 1 276.428 2.163 20 30 CEEDMP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccc(C#N)c(F)c1 ZINC000423374684 394905599 /nfs/dbraw/zinc/90/55/99/394905599.db2.gz HZHZZYQPQKDERL-JTNHKYCSSA-N 2 1 261.344 2.488 20 30 CEEDMP C=CCOCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000339043414 394938158 /nfs/dbraw/zinc/93/81/58/394938158.db2.gz GEQOUSLEKIMBGE-HOCLYGCPSA-N 2 1 264.413 2.138 20 30 CEEDMP C=CCOCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000339043414 394938163 /nfs/dbraw/zinc/93/81/63/394938163.db2.gz GEQOUSLEKIMBGE-HOCLYGCPSA-N 2 1 264.413 2.138 20 30 CEEDMP C=CCOCC[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000339083188 394941579 /nfs/dbraw/zinc/94/15/79/394941579.db2.gz DHMXXLBWRGTQJR-GJZGRUSLSA-N 2 1 266.429 2.432 20 30 CEEDMP C=CCN1CCC([NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)CC1 ZINC000367619897 394966989 /nfs/dbraw/zinc/96/69/89/394966989.db2.gz PSJFEKVBTDHPKL-BRWVUGGUSA-N 2 1 277.456 2.099 20 30 CEEDMP C=CCN1CCC([NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)CC1 ZINC000367619881 394967043 /nfs/dbraw/zinc/96/70/43/394967043.db2.gz PSJFEKVBTDHPKL-BBWFWOEESA-N 2 1 277.456 2.099 20 30 CEEDMP C=CCOCCC[NH+](C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000348049671 395134414 /nfs/dbraw/zinc/13/44/14/395134414.db2.gz JAKRZIZBIZMBMN-GJZGRUSLSA-N 2 1 254.418 2.384 20 30 CEEDMP C=CCOCCC[N@@H+](C)[C@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000348049671 395134417 /nfs/dbraw/zinc/13/44/17/395134417.db2.gz JAKRZIZBIZMBMN-GJZGRUSLSA-N 2 1 254.418 2.384 20 30 CEEDMP C=CCOCCC[N@H+](C)[C@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000348049671 395134422 /nfs/dbraw/zinc/13/44/22/395134422.db2.gz JAKRZIZBIZMBMN-GJZGRUSLSA-N 2 1 254.418 2.384 20 30 CEEDMP C[C@@H]1C[N@@H+](CCCNCc2cc(C#N)cs2)CCCO1 ZINC000432362652 395170435 /nfs/dbraw/zinc/17/04/35/395170435.db2.gz NVQMHHVCODUYPT-CYBMUJFWSA-N 2 1 293.436 2.210 20 30 CEEDMP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cc(C#N)cs2)CCCO1 ZINC000432362652 395170438 /nfs/dbraw/zinc/17/04/38/395170438.db2.gz NVQMHHVCODUYPT-CYBMUJFWSA-N 2 1 293.436 2.210 20 30 CEEDMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cc(C#N)cs2)CCCO1 ZINC000432362652 395170439 /nfs/dbraw/zinc/17/04/39/395170439.db2.gz NVQMHHVCODUYPT-CYBMUJFWSA-N 2 1 293.436 2.210 20 30 CEEDMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(OCC#N)cc1 ZINC000179149529 395179540 /nfs/dbraw/zinc/17/95/40/395179540.db2.gz WFSXVYZBWBSFMB-KEYYUXOJSA-N 2 1 287.407 2.407 20 30 CEEDMP C=CC[C@@H]1CC[C@@H]([NH2+]CCC[NH+]2CCC(O)CC2)C1 ZINC000651686235 401371952 /nfs/dbraw/zinc/37/19/52/401371952.db2.gz VBMQZNBOGQYMGH-HUUCEWRRSA-N 2 1 266.429 2.168 20 30 CEEDMP C=C(CC)C[NH+]1CCC(CO)([NH2+]CC(C)C)CC1 ZINC000660696380 414937338 /nfs/dbraw/zinc/93/73/38/414937338.db2.gz KPDQUNGTLNDSSB-UHFFFAOYSA-N 2 1 254.418 2.025 20 30 CEEDMP C=CC[C@]1(C(=O)N(C)CC[C@H]2CCCC[N@H+]2C)CCC[NH2+]1 ZINC000662746290 415951164 /nfs/dbraw/zinc/95/11/64/415951164.db2.gz RXNFBTZCOUFVPE-NVXWUHKLSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CC[NH+](CC=C)[C@@H](CNC(=[NH2+])N(C)C1CC1)C(C)C ZINC000273372223 263016330 /nfs/dbraw/zinc/01/63/30/263016330.db2.gz VZVGNFXAODWJDR-HNNXBMFYSA-N 2 1 278.444 2.094 20 30 CEEDMP C=CCOc1ccc(C[NH2+]C2CC[NH2+]CC2)cc1OC ZINC000414793323 263049773 /nfs/dbraw/zinc/04/97/73/263049773.db2.gz ULJWFTAZBZSMQK-UHFFFAOYSA-N 2 1 276.380 2.102 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)[C@@H]2CCCOC2)CC1 ZINC000356845136 266187511 /nfs/dbraw/zinc/18/75/11/266187511.db2.gz IGGCJZLGQSIFEA-HUUCEWRRSA-N 2 1 266.429 2.432 20 30 CEEDMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@H](O)c3ccc(C#N)cc3)CC[C@@H]21 ZINC000129110731 277068717 /nfs/dbraw/zinc/06/87/17/277068717.db2.gz ASMVCADYTPYNLL-SQNIBIBYSA-N 2 1 299.418 2.008 20 30 CEEDMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@H](O)c3ccc(C#N)cc3)CC[C@@H]21 ZINC000129110731 277068718 /nfs/dbraw/zinc/06/87/18/277068718.db2.gz ASMVCADYTPYNLL-SQNIBIBYSA-N 2 1 299.418 2.008 20 30 CEEDMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@H](O)c3ccc(C#N)cc3)CC[C@@H]21 ZINC000129110731 277068719 /nfs/dbraw/zinc/06/87/19/277068719.db2.gz ASMVCADYTPYNLL-SQNIBIBYSA-N 2 1 299.418 2.008 20 30 CEEDMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1cccc(C#N)c1 ZINC000401776884 289288411 /nfs/dbraw/zinc/28/84/11/289288411.db2.gz TUQNKSPPPGYYLQ-LBPRGKRZSA-N 2 1 254.337 2.185 20 30 CEEDMP Cc1ccc([C@@H](CNC(=[NH2+])NC(C)(C)C)[NH+]2CCCC2)o1 ZINC000262024833 328143798 /nfs/dbraw/zinc/14/37/98/328143798.db2.gz ZBWPTQVBVSEWIS-CYBMUJFWSA-N 2 1 292.427 2.428 20 30 CEEDMP CNC(NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)=[NH+]C ZINC000290498551 327198221 /nfs/dbraw/zinc/19/82/21/327198221.db2.gz HMWDLIDIQHMHPO-INIZCTEOSA-N 2 1 288.439 2.084 20 30 CEEDMP C=CCc1cc(C[N@@H+]2CCC[C@H](C[NH3+])C2)cc(OC)c1O ZINC000582666559 329121847 /nfs/dbraw/zinc/12/18/47/329121847.db2.gz UCXQFMGKDCNCGE-CYBMUJFWSA-N 2 1 290.407 2.300 20 30 CEEDMP C=CCc1cc(C[N@H+]2CCC[C@H](C[NH3+])C2)cc(OC)c1O ZINC000582666559 329121848 /nfs/dbraw/zinc/12/18/48/329121848.db2.gz UCXQFMGKDCNCGE-CYBMUJFWSA-N 2 1 290.407 2.300 20 30 CEEDMP C=CCN(CC=C)[C@H](C[NH2+][C@H]1CCC[C@@H]1[NH3+])C(C)C ZINC000422827689 330156456 /nfs/dbraw/zinc/15/64/56/330156456.db2.gz FAWXOZPRSLGXSB-HRCADAONSA-N 2 1 265.445 2.154 20 30 CEEDMP C=C(C)C[NH+]1CCC(N[C@@H]2CC[NH2+]CC[C@H]2C)CC1 ZINC000422974517 330164681 /nfs/dbraw/zinc/16/46/81/330164681.db2.gz FAQAZVMXINGRRO-GDBMZVCRSA-N 2 1 265.445 2.005 20 30 CEEDMP N#C[C@H]1CCC[C@H]([NH2+]CCC[NH2+]Cc2cccnc2)C1 ZINC000423183300 330175316 /nfs/dbraw/zinc/17/53/16/330175316.db2.gz GEDOGZSXGUTDFJ-HOCLYGCPSA-N 2 1 272.396 2.233 20 30 CEEDMP CC(C)OCC[NH+]1CCC([NH2+][C@H]2CC[C@H](C#N)C2)CC1 ZINC000442781316 330782740 /nfs/dbraw/zinc/78/27/40/330782740.db2.gz IKHZLYBADFAFOC-HOCLYGCPSA-N 2 1 279.428 2.158 20 30 CEEDMP C=C(C)[C@H]1OCC[C@@H]1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459521138 331285754 /nfs/dbraw/zinc/28/57/54/331285754.db2.gz DCEJIZIYAHMVLG-CZUORRHYSA-N 2 1 264.413 2.184 20 30 CEEDMP C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352866491 526834304 /nfs/dbraw/zinc/83/43/04/526834304.db2.gz LTHGIPSDWMZBEM-IUODEOHRSA-N 2 1 295.452 2.276 20 30 CEEDMP C[C@H]1CCCC[C@@H]1[NH+]1CCC(=NN2CC[NH+](C)CC2)CC1 ZINC000733902347 574690061 /nfs/dbraw/zinc/69/00/61/574690061.db2.gz QNFFUUPWVWVYOA-RDJZCZTQSA-N 2 1 292.471 2.264 20 30 CEEDMP C#CCCOc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000125518514 649927232 /nfs/dbraw/zinc/92/72/32/649927232.db2.gz YEMRZQAGJMVNNT-KRWDZBQOSA-N 2 1 286.419 2.472 20 30 CEEDMP C#CCCOc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000125518514 649927234 /nfs/dbraw/zinc/92/72/34/649927234.db2.gz YEMRZQAGJMVNNT-KRWDZBQOSA-N 2 1 286.419 2.472 20 30 CEEDMP C=C(C)C[N@H+]1CCCN(C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC000981556753 613312441 /nfs/dbraw/zinc/31/24/41/613312441.db2.gz PBHNMQWHLMZYAQ-UHFFFAOYSA-N 2 1 298.390 2.058 20 30 CEEDMP C=CC[NH2+]C1CCC(N(C)C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC000963912583 613859188 /nfs/dbraw/zinc/85/91/88/613859188.db2.gz MWSVKUAJIMQCGN-FHERZECASA-N 2 1 293.455 2.016 20 30 CEEDMP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001020907029 622920904 /nfs/dbraw/zinc/92/09/04/622920904.db2.gz QAMXYNFHFZSVDM-JYJNAYRXSA-N 2 1 293.455 2.064 20 30 CEEDMP Cc1[nH+]ccn1-c1ccc(CNC(=[NH2+])NC(C)C)cc1F ZINC000104178763 624320010 /nfs/dbraw/zinc/32/00/10/624320010.db2.gz ANUPSQJHFFWBGA-UHFFFAOYSA-N 2 1 289.358 2.133 20 30 CEEDMP C[N@@H+](CCNC(=[NH2+])NC1CCCCC1)C1CCCCC1 ZINC000104168525 624320128 /nfs/dbraw/zinc/32/01/28/624320128.db2.gz PUJLRJOYWALMNU-UHFFFAOYSA-N 2 1 280.460 2.488 20 30 CEEDMP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001022808213 624630906 /nfs/dbraw/zinc/63/09/06/624630906.db2.gz QZIOWQNCCPIUHA-XHSDSOJGSA-N 2 1 293.455 2.062 20 30 CEEDMP CC[N@@H+]1CCC[C@@H](C[NH2+]CC#Cc2ccccc2)C1 ZINC000892743261 627742643 /nfs/dbraw/zinc/74/26/43/627742643.db2.gz MGFBUSNNCVSWST-KRWDZBQOSA-N 2 1 256.393 2.360 20 30 CEEDMP CC[N@H+]1CCC[C@@H](C[NH2+]CC#Cc2ccccc2)C1 ZINC000892743261 627742646 /nfs/dbraw/zinc/74/26/46/627742646.db2.gz MGFBUSNNCVSWST-KRWDZBQOSA-N 2 1 256.393 2.360 20 30 CEEDMP NC(=[NH+]OCC[NH+]1CCCCC1)C1CCCCC1 ZINC000194387662 628506222 /nfs/dbraw/zinc/50/62/22/628506222.db2.gz IWIITIGKJSIUHH-UHFFFAOYSA-N 2 1 253.390 2.341 20 30 CEEDMP CCCCCCCCNC(=[NH2+])NC[C@H]1CC[N@@H+](C)C1 ZINC000104172184 628680616 /nfs/dbraw/zinc/68/06/16/628680616.db2.gz NPSKGNMGGCGBGJ-CQSZACIVSA-N 2 1 268.449 2.203 20 30 CEEDMP C[C@H](CC(C)(C)C#N)[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000925023109 629369502 /nfs/dbraw/zinc/36/95/02/629369502.db2.gz KWTYLDVWYYHKQE-CABCVRRESA-N 2 1 281.444 2.141 20 30 CEEDMP C[C@@H](CC(C)(C)C#N)[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000925023112 629369826 /nfs/dbraw/zinc/36/98/26/629369826.db2.gz KWTYLDVWYYHKQE-LSDHHAIUSA-N 2 1 281.444 2.141 20 30 CEEDMP CCNC(=[NH2+])NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000304603429 631103584 /nfs/dbraw/zinc/10/35/84/631103584.db2.gz HXMMISAFIZVCML-DGCLKSJQSA-N 2 1 280.441 2.055 20 30 CEEDMP C#CCCOc1ccc(C[N@@H+](C)CCC[NH+](C)C)cc1 ZINC000809730086 632134325 /nfs/dbraw/zinc/13/43/25/632134325.db2.gz ZULONLYWJHWWQB-UHFFFAOYSA-N 2 1 274.408 2.472 20 30 CEEDMP C#CCCOc1ccc(C[N@H+](C)CCC[NH+](C)C)cc1 ZINC000809730086 632134331 /nfs/dbraw/zinc/13/43/31/632134331.db2.gz ZULONLYWJHWWQB-UHFFFAOYSA-N 2 1 274.408 2.472 20 30 CEEDMP C=C(CC[NH+](C)C)C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000900214409 633594563 /nfs/dbraw/zinc/59/45/63/633594563.db2.gz DTXVASOKJIMINS-INIZCTEOSA-N 2 1 295.471 2.265 20 30 CEEDMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1cc(C#N)ccn1 ZINC000903017957 634927213 /nfs/dbraw/zinc/92/72/13/634927213.db2.gz ULVXJMVDVHILTQ-KBPBESRZSA-N 2 1 272.396 2.336 20 30 CEEDMP N#CC1CCC(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)CC1 ZINC000903452662 635137052 /nfs/dbraw/zinc/13/70/52/635137052.db2.gz PTCBOTSOQCEDFD-GPANFISMSA-N 2 1 261.413 2.392 20 30 CEEDMP N#CC1CCC(C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)CC1 ZINC000903475878 635145233 /nfs/dbraw/zinc/14/52/33/635145233.db2.gz GQRHMQVSDLHQKI-QDIHITRGSA-N 2 1 261.413 2.390 20 30 CEEDMP N#CC1CCC(C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)CC1 ZINC000903475878 635145238 /nfs/dbraw/zinc/14/52/38/635145238.db2.gz GQRHMQVSDLHQKI-QDIHITRGSA-N 2 1 261.413 2.390 20 30 CEEDMP C=CCCC[N@H+](CC)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903849255 635303163 /nfs/dbraw/zinc/30/31/63/635303163.db2.gz BOSMBPZVUKTLDV-OAHLLOKOSA-N 2 1 266.429 2.433 20 30 CEEDMP C=C(CC[NH+](C)C)C(=O)Nc1cc(C)c2[nH+]ccn2c1 ZINC000908419263 637336887 /nfs/dbraw/zinc/33/68/87/637336887.db2.gz YKHXTEAJSGDCBH-UHFFFAOYSA-N 2 1 272.352 2.089 20 30 CEEDMP CC(C)NC(=[NH2+])NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000083052649 642042564 /nfs/dbraw/zinc/04/25/64/642042564.db2.gz GBTQOLAVASQBLR-CQSZACIVSA-N 2 1 276.428 2.210 20 30 CEEDMP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC000999306658 642478222 /nfs/dbraw/zinc/47/82/22/642478222.db2.gz LAEUFZAJIXNHJD-CVEARBPZSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CC[C@@H]1CC[C@H]([NH2+]C[C@H](C[NH+](C)C)OCC)C1 ZINC000922755813 643246682 /nfs/dbraw/zinc/24/66/82/643246682.db2.gz IGXBWYVOALGGNV-QLFBSQMISA-N 2 1 254.418 2.288 20 30 CEEDMP C#C[C@@](C)(CC)[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000852103446 643308710 /nfs/dbraw/zinc/30/87/10/643308710.db2.gz ICJONFWDBOVMNP-SFHVURJKSA-N 2 1 286.419 2.410 20 30 CEEDMP N#Cc1ccc([C@@H](O)C[N@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000923428250 643706887 /nfs/dbraw/zinc/70/68/87/643706887.db2.gz NZOQXPRJXQKEMN-ROUUACIJSA-N 2 1 299.418 2.057 20 30 CEEDMP C[C@@H](C#N)OCC[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859212421 645422363 /nfs/dbraw/zinc/42/23/63/645422363.db2.gz JMPCIMXRWLARMV-AWEZNQCLSA-N 2 1 275.396 2.109 20 30 CEEDMP C=CC[C@@H](C)[N@H+]1CC[C@H](OCC[NH+](CC)CC)C1 ZINC000878158771 651018428 /nfs/dbraw/zinc/01/84/28/651018428.db2.gz OEFQZKLRNVFIGE-CABCVRRESA-N 2 1 254.418 2.384 20 30 CEEDMP C[N@@H+]1CC[C@H]2C[NH+](CCCOc3cccc(C#N)c3)CC[C@H]21 ZINC000879575495 651324861 /nfs/dbraw/zinc/32/48/61/651324861.db2.gz LAEBROCYYNBMMX-FUHWJXTLSA-N 2 1 299.418 2.353 20 30 CEEDMP C[N@H+]1CC[C@H]2C[NH+](CCCOc3cccc(C#N)c3)CC[C@H]21 ZINC000879575495 651324862 /nfs/dbraw/zinc/32/48/62/651324862.db2.gz LAEBROCYYNBMMX-FUHWJXTLSA-N 2 1 299.418 2.353 20 30 CEEDMP C[NH+]1CC[C@H]2C[N@H+](CCCOc3cccc(C#N)c3)CC[C@H]21 ZINC000879575495 651324864 /nfs/dbraw/zinc/32/48/64/651324864.db2.gz LAEBROCYYNBMMX-FUHWJXTLSA-N 2 1 299.418 2.353 20 30 CEEDMP C[NH+]1CC[C@H]2C[N@@H+](CCCOc3cccc(C#N)c3)CC[C@H]21 ZINC000879575495 651324867 /nfs/dbraw/zinc/32/48/67/651324867.db2.gz LAEBROCYYNBMMX-FUHWJXTLSA-N 2 1 299.418 2.353 20 30 CEEDMP C[N@H+]1CCC[C@H]1CCN1CCN(c2ccc(C#N)cc2)CC1 ZINC000879586522 651327890 /nfs/dbraw/zinc/32/78/90/651327890.db2.gz MWEWCZAFUQRWBP-KRWDZBQOSA-N 2 1 298.434 2.165 20 30 CEEDMP C#CCOCCN1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC000880022071 651375803 /nfs/dbraw/zinc/37/58/03/651375803.db2.gz IRRFNNTZHMDSAA-RBUKOAKNSA-N 2 1 298.430 2.090 20 30 CEEDMP C#CCOCC[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC000880022071 651375810 /nfs/dbraw/zinc/37/58/10/651375810.db2.gz IRRFNNTZHMDSAA-RBUKOAKNSA-N 2 1 298.430 2.090 20 30 CEEDMP C#CCOCC[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC000880022071 651375811 /nfs/dbraw/zinc/37/58/11/651375811.db2.gz IRRFNNTZHMDSAA-RBUKOAKNSA-N 2 1 298.430 2.090 20 30 CEEDMP C=CC[C@H](C)[N@@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000880202848 651400744 /nfs/dbraw/zinc/40/07/44/651400744.db2.gz VPVYARFSDSGHKB-ZFWWWQNUSA-N 2 1 252.402 2.184 20 30 CEEDMP C=CC[C@H](C)[N@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000880202848 651400745 /nfs/dbraw/zinc/40/07/45/651400745.db2.gz VPVYARFSDSGHKB-ZFWWWQNUSA-N 2 1 252.402 2.184 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(O[C@H](C)C#N)cc1 ZINC000883131507 652372826 /nfs/dbraw/zinc/37/28/26/652372826.db2.gz FPTMBUUIYGQYGB-OAHLLOKOSA-N 2 1 285.391 2.022 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(O[C@H](C)C#N)cc1 ZINC000883131507 652372828 /nfs/dbraw/zinc/37/28/28/652372828.db2.gz FPTMBUUIYGQYGB-OAHLLOKOSA-N 2 1 285.391 2.022 20 30 CEEDMP C=CCC[C@H]([NH2+]CC1([NH+](C)C)CCOCC1)[C@@H]1CCCO1 ZINC000883190223 652394676 /nfs/dbraw/zinc/39/46/76/652394676.db2.gz XUJSWNSDBDCPPT-HOTGVXAUSA-N 2 1 296.455 2.201 20 30 CEEDMP C=CCC[C@H](Cc1ccccc1)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000883217011 652403009 /nfs/dbraw/zinc/40/30/09/652403009.db2.gz ZTEWMUHSVOAQSN-MSOLQXFVSA-N 2 1 288.435 2.220 20 30 CEEDMP C=CCC[C@H](Cc1ccccc1)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000883217011 652403010 /nfs/dbraw/zinc/40/30/10/652403010.db2.gz ZTEWMUHSVOAQSN-MSOLQXFVSA-N 2 1 288.435 2.220 20 30 CEEDMP C=C(C)CC[NH2+]CCCNC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001168030053 805821844 /nfs/dbraw/zinc/82/18/44/805821844.db2.gz MCGXBPZLBTUPAT-HZPDHXFCSA-N 2 1 293.455 2.065 20 30 CEEDMP C=CC[C@H](C)[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000715051412 814925810 /nfs/dbraw/zinc/92/58/10/814925810.db2.gz CDHCQGUXOMFSHU-GARJFASQSA-N 2 1 250.308 2.410 20 30 CEEDMP C=C(C)CC[N@H+](C)CCN(C)C(=O)C[NH+](C)CC(C)(C)C ZINC001272111034 806552396 /nfs/dbraw/zinc/55/23/96/806552396.db2.gz LGGBPPGWXFKGST-UHFFFAOYSA-N 2 1 297.487 2.321 20 30 CEEDMP C=C(C)CC[NH+](C)CCN(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001272111034 806552402 /nfs/dbraw/zinc/55/24/02/806552402.db2.gz LGGBPPGWXFKGST-UHFFFAOYSA-N 2 1 297.487 2.321 20 30 CEEDMP C=C(C)CC[NH+](C)CCN(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001272111034 806552409 /nfs/dbraw/zinc/55/24/09/806552409.db2.gz LGGBPPGWXFKGST-UHFFFAOYSA-N 2 1 297.487 2.321 20 30 CEEDMP C=C(C)C[NH+]1CCC[C@H]1CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001266482467 802625108 /nfs/dbraw/zinc/62/51/08/802625108.db2.gz CBHRONILEUUQRW-HNNXBMFYSA-N 2 1 295.471 2.121 20 30 CEEDMP C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001266482467 802625111 /nfs/dbraw/zinc/62/51/11/802625111.db2.gz CBHRONILEUUQRW-HNNXBMFYSA-N 2 1 295.471 2.121 20 30 CEEDMP C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001266482467 802625116 /nfs/dbraw/zinc/62/51/16/802625116.db2.gz CBHRONILEUUQRW-HNNXBMFYSA-N 2 1 295.471 2.121 20 30 CEEDMP C=CCCC[NH2+]CCCNC(=O)Cn1cc[nH+]c1C(C)C ZINC001167476130 802895619 /nfs/dbraw/zinc/89/56/19/802895619.db2.gz PTWKHMQVZJLNNE-UHFFFAOYSA-N 2 1 292.427 2.069 20 30 CEEDMP C=CCCC[N@@H+]1CCC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001267627582 803630870 /nfs/dbraw/zinc/63/08/70/803630870.db2.gz IHTNFQKETHWFAD-HOTGVXAUSA-N 2 1 295.471 2.119 20 30 CEEDMP C=C(C)C[NH+](C)CC1CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001267752048 803709971 /nfs/dbraw/zinc/70/99/71/803709971.db2.gz DSLCFQKUKWCNTF-UHFFFAOYSA-N 2 1 295.471 2.075 20 30 CEEDMP C=C(C)C[N@@H+](C)CC1CCN(C(=O)CC[NH+](C)CC)CC1 ZINC001267752048 803709978 /nfs/dbraw/zinc/70/99/78/803709978.db2.gz DSLCFQKUKWCNTF-UHFFFAOYSA-N 2 1 295.471 2.075 20 30 CEEDMP C=C(C)C[N@H+](C)CC1CCN(C(=O)CC[NH+](C)CC)CC1 ZINC001267752048 803709981 /nfs/dbraw/zinc/70/99/81/803709981.db2.gz DSLCFQKUKWCNTF-UHFFFAOYSA-N 2 1 295.471 2.075 20 30 CEEDMP C=CCC[NH2+][C@H](C)[C@@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001282191863 804566390 /nfs/dbraw/zinc/56/63/90/804566390.db2.gz KANTYSLMCYWZMU-ZIAGYGMSSA-N 2 1 292.427 2.065 20 30 CEEDMP C=C(C)C[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001028335520 804718163 /nfs/dbraw/zinc/71/81/63/804718163.db2.gz WRICOSVCOHHHAX-JKSUJKDBSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001028335520 804718169 /nfs/dbraw/zinc/71/81/69/804718169.db2.gz WRICOSVCOHHHAX-JKSUJKDBSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001028335520 804718173 /nfs/dbraw/zinc/71/81/73/804718173.db2.gz WRICOSVCOHHHAX-JKSUJKDBSA-N 2 1 293.455 2.018 20 30 CEEDMP N#Cc1cccc(CCC[N@@H+]2CCC[C@@H]([NH3+])CC2)c1 ZINC001205093437 807568598 /nfs/dbraw/zinc/56/85/98/807568598.db2.gz ABKUPSDAZNRYFN-MRXNPFEDSA-N 2 1 257.381 2.304 20 30 CEEDMP C#CC[C@H](CO)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716625150 815137272 /nfs/dbraw/zinc/13/72/72/815137272.db2.gz LZKPLWRMRCZQEC-RDGPPVDQSA-N 2 1 298.430 2.013 20 30 CEEDMP C[C@H](Cc1ccc(C#N)cc1)n1cc[nH+]c1CCC[NH3+] ZINC001172308131 815365532 /nfs/dbraw/zinc/36/55/32/815365532.db2.gz ISLGAVLLSOLRNJ-CYBMUJFWSA-N 2 1 268.364 2.450 20 30 CEEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001015971602 810381512 /nfs/dbraw/zinc/38/15/12/810381512.db2.gz BUVHHSYOLZYUCD-HOTGVXAUSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001015971602 810381516 /nfs/dbraw/zinc/38/15/16/810381516.db2.gz BUVHHSYOLZYUCD-HOTGVXAUSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001015971602 810381521 /nfs/dbraw/zinc/38/15/21/810381521.db2.gz BUVHHSYOLZYUCD-HOTGVXAUSA-N 2 1 293.455 2.018 20 30 CEEDMP C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CCc2nccn2CC1 ZINC001172311743 815365955 /nfs/dbraw/zinc/36/59/55/815365955.db2.gz XHSOWIMLYGXDKB-AWEZNQCLSA-N 2 1 280.375 2.244 20 30 CEEDMP C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCc2[nH+]ccn2CC1 ZINC001172311743 815365962 /nfs/dbraw/zinc/36/59/62/815365962.db2.gz XHSOWIMLYGXDKB-AWEZNQCLSA-N 2 1 280.375 2.244 20 30 CEEDMP C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001172311743 815365969 /nfs/dbraw/zinc/36/59/69/815365969.db2.gz XHSOWIMLYGXDKB-AWEZNQCLSA-N 2 1 280.375 2.244 20 30 CEEDMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCOc1cccc(C#N)c1)C2 ZINC001169114802 811406953 /nfs/dbraw/zinc/40/69/53/811406953.db2.gz YSHASJAOWXKXAY-MUJYYYPQSA-N 2 1 285.391 2.152 20 30 CEEDMP C=C(C)CN1CCN(C(=O)C[N@H+](C)CCCCCC)CC1 ZINC001113438795 812241443 /nfs/dbraw/zinc/24/14/43/812241443.db2.gz HFQHJCYRARQGDL-UHFFFAOYSA-N 2 1 295.471 2.219 20 30 CEEDMP C=C(C)CC[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001129430240 812494446 /nfs/dbraw/zinc/49/44/46/812494446.db2.gz PWCSJBUHBBOFBV-INIZCTEOSA-N 2 1 293.455 2.065 20 30 CEEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)CC[C@H]1C ZINC001132434091 812849533 /nfs/dbraw/zinc/84/95/33/812849533.db2.gz TYFPXPUXTMEYTR-CVEARBPZSA-N 2 1 295.471 2.264 20 30 CEEDMP C=C(C)CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001052255163 812958410 /nfs/dbraw/zinc/95/84/10/812958410.db2.gz WRKWKRSAIXIYSY-JKSUJKDBSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001052255163 812958414 /nfs/dbraw/zinc/95/84/14/812958414.db2.gz WRKWKRSAIXIYSY-JKSUJKDBSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001052255163 812958420 /nfs/dbraw/zinc/95/84/20/812958420.db2.gz WRKWKRSAIXIYSY-JKSUJKDBSA-N 2 1 293.455 2.018 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(Br)cc1 ZINC000383156381 813094577 /nfs/dbraw/zinc/09/45/77/813094577.db2.gz KTBQSVUGTJDPIX-UHFFFAOYSA-N 2 1 295.224 2.494 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(Br)cc1 ZINC000383156381 813094585 /nfs/dbraw/zinc/09/45/85/813094585.db2.gz KTBQSVUGTJDPIX-UHFFFAOYSA-N 2 1 295.224 2.494 20 30 CEEDMP C=C(C)CC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001134612378 813297453 /nfs/dbraw/zinc/29/74/53/813297453.db2.gz LUNBZWBDPXHXDX-CABCVRRESA-N 2 1 295.471 2.310 20 30 CEEDMP C=CCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001134607136 813298921 /nfs/dbraw/zinc/29/89/21/813298921.db2.gz DJOYHVROBZDFGV-GJZGRUSLSA-N 2 1 295.471 2.310 20 30 CEEDMP C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001134762993 813321955 /nfs/dbraw/zinc/32/19/55/813321955.db2.gz JWEUXNDZHALQTC-CVEARBPZSA-N 2 1 295.471 2.310 20 30 CEEDMP C=C(C)CC[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001159838884 813678626 /nfs/dbraw/zinc/67/86/26/813678626.db2.gz PXRRNTQOTJQFIH-MRXNPFEDSA-N 2 1 295.471 2.026 20 30 CEEDMP C=C(C)CC[NH2+]CCCNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001159838883 813678769 /nfs/dbraw/zinc/67/87/69/813678769.db2.gz PXRRNTQOTJQFIH-INIZCTEOSA-N 2 1 295.471 2.026 20 30 CEEDMP C[C@H](Cc1cccc(C#N)c1)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001171212684 814164964 /nfs/dbraw/zinc/16/49/64/814164964.db2.gz PNTNKUVZXVNDBV-OLMNPRSZSA-N 2 1 283.419 2.373 20 30 CEEDMP C[C@H](Cc1cccc(C#N)c1)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001171212684 814164968 /nfs/dbraw/zinc/16/49/68/814164968.db2.gz PNTNKUVZXVNDBV-OLMNPRSZSA-N 2 1 283.419 2.373 20 30 CEEDMP C[C@H](Cc1cccc(C#N)c1)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001171212684 814164970 /nfs/dbraw/zinc/16/49/70/814164970.db2.gz PNTNKUVZXVNDBV-OLMNPRSZSA-N 2 1 283.419 2.373 20 30 CEEDMP C#CCOc1ccc(C[NH+]2C[C@@H]3C[NH+](CCC)C[C@H]3C2)cc1 ZINC001138560251 815830403 /nfs/dbraw/zinc/83/04/03/815830403.db2.gz NXMJNZUAJGAQQL-ROUUACIJSA-N 2 1 298.430 2.472 20 30 CEEDMP C[NH+]=C(NC[C@H](c1ccc(C)o1)[NH+]1CCCC1)NC(C)C ZINC000072602029 343807468 /nfs/dbraw/zinc/80/74/68/343807468.db2.gz LFPHJKAYHVELGC-CQSZACIVSA-N 2 1 292.427 2.298 20 30 CEEDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](C[C@H](C)CCC#N)C1 ZINC000602480740 347053030 /nfs/dbraw/zinc/05/30/30/347053030.db2.gz XUEMZXLIYPKUMI-CVEARBPZSA-N 2 1 281.444 2.359 20 30 CEEDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C1CCC(C#N)CC1 ZINC000602508996 347061661 /nfs/dbraw/zinc/06/16/61/347061661.db2.gz FCTTXFYEHDDMIR-LRVUVFPRSA-N 2 1 260.385 2.500 20 30 CEEDMP N#Cc1cnccc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592492196 345360030 /nfs/dbraw/zinc/36/00/30/345360030.db2.gz VOUXQIMSMVBRHM-LSDHHAIUSA-N 2 1 284.407 2.165 20 30 CEEDMP C[N@H+]1CC[C@]2(CC[NH+](CCc3ccc(C#N)cc3)C2)C1 ZINC000595509527 345799066 /nfs/dbraw/zinc/79/90/66/345799066.db2.gz GWIKTPUABZBYGI-KRWDZBQOSA-N 2 1 269.392 2.128 20 30 CEEDMP C[NH+]1CC[C@]2(CC[N@H+](CCc3ccc(C#N)cc3)C2)C1 ZINC000595509527 345799069 /nfs/dbraw/zinc/79/90/69/345799069.db2.gz GWIKTPUABZBYGI-KRWDZBQOSA-N 2 1 269.392 2.128 20 30 CEEDMP C[NH+]1CC[C@]2(CC[N@@H+](CCc3ccc(C#N)cc3)C2)C1 ZINC000595509527 345799070 /nfs/dbraw/zinc/79/90/70/345799070.db2.gz GWIKTPUABZBYGI-KRWDZBQOSA-N 2 1 269.392 2.128 20 30 CEEDMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCCSCC#N)C2 ZINC000595508149 345799375 /nfs/dbraw/zinc/79/93/75/345799375.db2.gz UMGXHYVBGRIMCA-CQSZACIVSA-N 2 1 267.442 2.051 20 30 CEEDMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCCSCC#N)C2 ZINC000595508149 345799380 /nfs/dbraw/zinc/79/93/80/345799380.db2.gz UMGXHYVBGRIMCA-CQSZACIVSA-N 2 1 267.442 2.051 20 30 CEEDMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCCSCC#N)C2 ZINC000595508149 345799381 /nfs/dbraw/zinc/79/93/81/345799381.db2.gz UMGXHYVBGRIMCA-CQSZACIVSA-N 2 1 267.442 2.051 20 30 CEEDMP Cc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1C#N ZINC000600709064 346675195 /nfs/dbraw/zinc/67/51/95/346675195.db2.gz NYPZCYMZLVHIHD-BHYGNILZSA-N 2 1 269.392 2.426 20 30 CEEDMP CC[N@H+]1CC[C@@H](N(C)Cc2ccnc(C#N)c2)C[C@@H]1C ZINC000610994669 347729727 /nfs/dbraw/zinc/72/97/27/347729727.db2.gz MDUWZSGJFLTJET-XJKSGUPXSA-N 2 1 272.396 2.258 20 30 CEEDMP CC[N@@H+](CC#CCOC)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062704 350645864 /nfs/dbraw/zinc/64/58/64/350645864.db2.gz COQIXFDNWJWTTP-UHFFFAOYSA-N 2 1 274.408 2.220 20 30 CEEDMP Cc1[nH+]ccn1CCC[N@@H+](C)CCOc1cccc(C#N)c1 ZINC000136307208 366507999 /nfs/dbraw/zinc/50/79/99/366507999.db2.gz USOFPEWTMATXHD-UHFFFAOYSA-N 2 1 298.390 2.464 20 30 CEEDMP Cc1[nH+]ccn1CCC[N@H+](C)CCOc1cccc(C#N)c1 ZINC000136307208 366508003 /nfs/dbraw/zinc/50/80/03/366508003.db2.gz USOFPEWTMATXHD-UHFFFAOYSA-N 2 1 298.390 2.464 20 30 CEEDMP C#CCOc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000179635322 189209265 /nfs/dbraw/zinc/20/92/65/189209265.db2.gz RSEUJGROLLFJLA-MRXNPFEDSA-N 2 1 272.392 2.082 20 30 CEEDMP C#CCOc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000179635322 189209266 /nfs/dbraw/zinc/20/92/66/189209266.db2.gz RSEUJGROLLFJLA-MRXNPFEDSA-N 2 1 272.392 2.082 20 30 CEEDMP C=CCC[C@H](O)C[NH+](C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000351412171 369635238 /nfs/dbraw/zinc/63/52/38/369635238.db2.gz LPOCJMUKIDBRFS-KFWWJZLASA-N 2 1 254.418 2.118 20 30 CEEDMP C=CCC[C@H](O)C[N@@H+](C)[C@@H]1CC[NH+](CC)[C@H](C)C1 ZINC000351412171 369635242 /nfs/dbraw/zinc/63/52/42/369635242.db2.gz LPOCJMUKIDBRFS-KFWWJZLASA-N 2 1 254.418 2.118 20 30 CEEDMP C=CCC[C@H](O)C[N@H+](C)[C@@H]1CC[NH+](CC)[C@H](C)C1 ZINC000351412171 369635246 /nfs/dbraw/zinc/63/52/46/369635246.db2.gz LPOCJMUKIDBRFS-KFWWJZLASA-N 2 1 254.418 2.118 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](OC)C2CCOCC2)CC1 ZINC000638524871 370590791 /nfs/dbraw/zinc/59/07/91/370590791.db2.gz UBJNHIRKRFJLNO-QGZVFWFLSA-N 2 1 296.455 2.058 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+]CC2(COC)CCC2)CC1 ZINC000638525318 370591678 /nfs/dbraw/zinc/59/16/78/370591678.db2.gz WZGFHWOIOJIBRA-UHFFFAOYSA-N 2 1 266.429 2.433 20 30 CEEDMP N#CCC[C@H](C#N)CN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000246824459 371017173 /nfs/dbraw/zinc/01/71/73/371017173.db2.gz NWRFMOJZAQQRIN-INMHGKMJSA-N 2 1 286.423 2.379 20 30 CEEDMP C[N@H+]1CCC[C@@H]2C[NH+](CCOc3cccc(C#N)c3)CC[C@H]21 ZINC000247943434 371148877 /nfs/dbraw/zinc/14/88/77/371148877.db2.gz GVQFZXJVLKSFEW-SJLPKXTDSA-N 2 1 299.418 2.353 20 30 CEEDMP C[NH+]1CCC[C@@H]2C[N@H+](CCOc3cccc(C#N)c3)CC[C@H]21 ZINC000247943434 371148884 /nfs/dbraw/zinc/14/88/84/371148884.db2.gz GVQFZXJVLKSFEW-SJLPKXTDSA-N 2 1 299.418 2.353 20 30 CEEDMP C[NH+]1CCC[C@@H]2C[N@@H+](CCOc3cccc(C#N)c3)CC[C@H]21 ZINC000247943434 371148890 /nfs/dbraw/zinc/14/88/90/371148890.db2.gz GVQFZXJVLKSFEW-SJLPKXTDSA-N 2 1 299.418 2.353 20 30 CEEDMP CCNC(=[NH2+])NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000264056788 371958952 /nfs/dbraw/zinc/95/89/52/371958952.db2.gz BHEBQIQZDONFHE-AWEZNQCLSA-N 2 1 288.439 2.343 20 30 CEEDMP CC[N@H+](C)CCNC(=[NH2+])Nc1cccc(C(C)C)c1 ZINC000264092801 371966906 /nfs/dbraw/zinc/96/69/06/371966906.db2.gz LKDGQRDRNNYTIL-UHFFFAOYSA-N 2 1 262.401 2.488 20 30 CEEDMP CC[N@@H+](C)CCNC(=[NH2+])Nc1cccc(C(C)C)c1 ZINC000264092801 371966911 /nfs/dbraw/zinc/96/69/11/371966911.db2.gz LKDGQRDRNNYTIL-UHFFFAOYSA-N 2 1 262.401 2.488 20 30 CEEDMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cccc(C#N)c2)C1 ZINC000269138082 372353958 /nfs/dbraw/zinc/35/39/58/372353958.db2.gz WFBQDZZWXRPEGA-IAGOWNOFSA-N 2 1 269.392 2.474 20 30 CEEDMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2cccc(C#N)c2)C1 ZINC000269138082 372353967 /nfs/dbraw/zinc/35/39/67/372353967.db2.gz WFBQDZZWXRPEGA-IAGOWNOFSA-N 2 1 269.392 2.474 20 30 CEEDMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2cccc(C#N)c2)C1 ZINC000269138082 372353973 /nfs/dbraw/zinc/35/39/73/372353973.db2.gz WFBQDZZWXRPEGA-IAGOWNOFSA-N 2 1 269.392 2.474 20 30 CEEDMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCc3ccc(C#N)cc32)C1 ZINC000353429894 220078965 /nfs/dbraw/zinc/07/89/65/220078965.db2.gz VDIMEIAZVUVNKF-WMLDXEAASA-N 2 1 269.392 2.477 20 30 CEEDMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C#N)c(OC)c2)[C@@H](C)C1 ZINC000353627422 220202025 /nfs/dbraw/zinc/20/20/25/220202025.db2.gz WAFCDKHUOXEXPT-XJKSGUPXSA-N 2 1 287.407 2.387 20 30 CEEDMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C#N)c(OC)c2)[C@@H](C)C1 ZINC000353627422 220202029 /nfs/dbraw/zinc/20/20/29/220202029.db2.gz WAFCDKHUOXEXPT-XJKSGUPXSA-N 2 1 287.407 2.387 20 30 CEEDMP C=CC[NH+]1CCC([NH2+]C[C@@H](O)[C@H](C)c2ccccc2)CC1 ZINC000644549088 373524934 /nfs/dbraw/zinc/52/49/34/373524934.db2.gz POUHJEOGXDIQMP-CRAIPNDOSA-N 2 1 288.435 2.391 20 30 CEEDMP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cccc(C#N)c1 ZINC000275018639 374127942 /nfs/dbraw/zinc/12/79/42/374127942.db2.gz LWNQFFVSFWEWJZ-XJKSGUPXSA-N 2 1 257.381 2.330 20 30 CEEDMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cccc(C#N)c1 ZINC000275018639 374127947 /nfs/dbraw/zinc/12/79/47/374127947.db2.gz LWNQFFVSFWEWJZ-XJKSGUPXSA-N 2 1 257.381 2.330 20 30 CEEDMP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cccc(C#N)c1 ZINC000275018639 374127955 /nfs/dbraw/zinc/12/79/55/374127955.db2.gz LWNQFFVSFWEWJZ-XJKSGUPXSA-N 2 1 257.381 2.330 20 30 CEEDMP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cccc(C#N)c1 ZINC000275018639 374127962 /nfs/dbraw/zinc/12/79/62/374127962.db2.gz LWNQFFVSFWEWJZ-XJKSGUPXSA-N 2 1 257.381 2.330 20 30 CEEDMP COc1cc(C[N@@H+](C)[C@H]2CCN(C)C[C@@H]2C)ccc1C#N ZINC000290434471 376776778 /nfs/dbraw/zinc/77/67/78/376776778.db2.gz LLKYBJLFUKLOAZ-BBRMVZONSA-N 2 1 287.407 2.339 20 30 CEEDMP COc1cc(CN(C)[C@H]2CC[N@H+](C)C[C@@H]2C)ccc1C#N ZINC000290434471 376776783 /nfs/dbraw/zinc/77/67/83/376776783.db2.gz LLKYBJLFUKLOAZ-BBRMVZONSA-N 2 1 287.407 2.339 20 30 CEEDMP COc1cc(CN(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)ccc1C#N ZINC000290434471 376776789 /nfs/dbraw/zinc/77/67/89/376776789.db2.gz LLKYBJLFUKLOAZ-BBRMVZONSA-N 2 1 287.407 2.339 20 30 CEEDMP COc1cc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)ccc1C#N ZINC000290434471 376776796 /nfs/dbraw/zinc/77/67/96/376776796.db2.gz LLKYBJLFUKLOAZ-BBRMVZONSA-N 2 1 287.407 2.339 20 30 CEEDMP COc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)ccc1C#N ZINC000290434471 376776798 /nfs/dbraw/zinc/77/67/98/376776798.db2.gz LLKYBJLFUKLOAZ-BBRMVZONSA-N 2 1 287.407 2.339 20 30 CEEDMP COc1cc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)ccc1C#N ZINC000290434471 376776805 /nfs/dbraw/zinc/77/68/05/376776805.db2.gz LLKYBJLFUKLOAZ-BBRMVZONSA-N 2 1 287.407 2.339 20 30 CEEDMP COc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)ccc1C#N ZINC000290434471 376776810 /nfs/dbraw/zinc/77/68/10/376776810.db2.gz LLKYBJLFUKLOAZ-BBRMVZONSA-N 2 1 287.407 2.339 20 30 CEEDMP C=CCC[N@@H+](Cc1scnc1C)C[C@H]1CC[NH2+]C1 ZINC000435722409 377809225 /nfs/dbraw/zinc/80/92/25/377809225.db2.gz MXLSFLNVCRYMQD-ZDUSSCGKSA-N 2 1 265.426 2.439 20 30 CEEDMP C=CCC[N@H+](Cc1scnc1C)C[C@H]1CC[NH2+]C1 ZINC000435722409 377809230 /nfs/dbraw/zinc/80/92/30/377809230.db2.gz MXLSFLNVCRYMQD-ZDUSSCGKSA-N 2 1 265.426 2.439 20 30 CEEDMP N#C[C@@H]1CC[C@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)C1 ZINC000442825253 378004260 /nfs/dbraw/zinc/00/42/60/378004260.db2.gz HGNOEKBNYTWKRT-CVEARBPZSA-N 2 1 291.439 2.303 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(-n2ccnc2)cc1 ZINC000294957023 378031291 /nfs/dbraw/zinc/03/12/91/378031291.db2.gz IZYSWMFSUBXTHA-INIZCTEOSA-N 2 1 296.418 2.478 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(-n2ccnc2)cc1 ZINC000294957023 378031295 /nfs/dbraw/zinc/03/12/95/378031295.db2.gz IZYSWMFSUBXTHA-INIZCTEOSA-N 2 1 296.418 2.478 20 30 CEEDMP C#CC[N@@H+](C)CCCN[C@@H](C)c1ccc(OC)c(O)c1 ZINC000295079113 378040101 /nfs/dbraw/zinc/04/01/01/378040101.db2.gz SYPGKOZXRHSRLC-ZDUSSCGKSA-N 2 1 276.380 2.007 20 30 CEEDMP C#CC[N@H+](C)CCCN[C@@H](C)c1ccc(OC)c(O)c1 ZINC000295079113 378040104 /nfs/dbraw/zinc/04/01/04/378040104.db2.gz SYPGKOZXRHSRLC-ZDUSSCGKSA-N 2 1 276.380 2.007 20 30 CEEDMP CC[N@H+]1CC[C@@H](CNC(=[NH2+])Nc2ccc3c(c2)CCC3)C1 ZINC000104172411 394718916 /nfs/dbraw/zinc/71/89/16/394718916.db2.gz SIHDSFQFIAEONN-ZDUSSCGKSA-N 2 1 286.423 2.244 20 30 CEEDMP C=CCC[N@H+](C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000338570407 394923613 /nfs/dbraw/zinc/92/36/13/394923613.db2.gz IJAZOLIJKVDUEG-KRWDZBQOSA-N 2 1 274.408 2.131 20 30 CEEDMP C=CCC[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000338570407 394923617 /nfs/dbraw/zinc/92/36/17/394923617.db2.gz IJAZOLIJKVDUEG-KRWDZBQOSA-N 2 1 274.408 2.131 20 30 CEEDMP C=CCC[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000338570407 394923619 /nfs/dbraw/zinc/92/36/19/394923619.db2.gz IJAZOLIJKVDUEG-KRWDZBQOSA-N 2 1 274.408 2.131 20 30 CEEDMP C=CCC[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000338570407 394923621 /nfs/dbraw/zinc/92/36/21/394923621.db2.gz IJAZOLIJKVDUEG-KRWDZBQOSA-N 2 1 274.408 2.131 20 30 CEEDMP C=CCC[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000338570407 394923624 /nfs/dbraw/zinc/92/36/24/394923624.db2.gz IJAZOLIJKVDUEG-KRWDZBQOSA-N 2 1 274.408 2.131 20 30 CEEDMP C=C[C@H](CO)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000289895327 395089677 /nfs/dbraw/zinc/08/96/77/395089677.db2.gz SUXIASWCZQZOFT-ZJPYXAASSA-N 2 1 286.419 2.034 20 30 CEEDMP C=CCOc1ccccc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000346840967 395109636 /nfs/dbraw/zinc/10/96/36/395109636.db2.gz GXYAFTHUMYGKIB-NUEKZKHPSA-N 2 1 272.392 2.421 20 30 CEEDMP C#CCC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000377319795 395136944 /nfs/dbraw/zinc/13/69/44/395136944.db2.gz ZKXGJUZDLIEAIM-ROUUACIJSA-N 2 1 268.404 2.464 20 30 CEEDMP C#CCC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000377319795 395136949 /nfs/dbraw/zinc/13/69/49/395136949.db2.gz ZKXGJUZDLIEAIM-ROUUACIJSA-N 2 1 268.404 2.464 20 30 CEEDMP C#CCC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000377319795 395136953 /nfs/dbraw/zinc/13/69/53/395136953.db2.gz ZKXGJUZDLIEAIM-ROUUACIJSA-N 2 1 268.404 2.464 20 30 CEEDMP C=C(C)C[NH+]1CCC(N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)CC1 ZINC000352901165 395274376 /nfs/dbraw/zinc/27/43/76/395274376.db2.gz LASJJNQERVQVMU-YOEHRIQHSA-N 2 1 277.456 2.099 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+]C2CCC(C(=O)OC)CC2)CC1 ZINC000192442094 395382861 /nfs/dbraw/zinc/38/28/61/395382861.db2.gz XNESFZSPXILNLH-UHFFFAOYSA-N 2 1 294.439 2.348 20 30 CEEDMP CN1CCCC(C)(C)[C@H]1C[NH2+]C[C@@H](C#N)CCC#N ZINC000573068626 395599402 /nfs/dbraw/zinc/59/94/02/395599402.db2.gz WXXJMJMGLZEOHX-ZIAGYGMSSA-N 2 1 262.401 2.140 20 30 CEEDMP CN1CCCC(C)(C)[C@@H]1C[NH2+]C[C@@H](C#N)CCC#N ZINC000573068624 395599438 /nfs/dbraw/zinc/59/94/38/395599438.db2.gz WXXJMJMGLZEOHX-KGLIPLIRSA-N 2 1 262.401 2.140 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)CCCc1cccnc1 ZINC000491543849 395670094 /nfs/dbraw/zinc/67/00/94/395670094.db2.gz ISQVXHXVYKCIQZ-MRXNPFEDSA-N 2 1 273.424 2.338 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)CCCc1cccnc1 ZINC000491543849 395670095 /nfs/dbraw/zinc/67/00/95/395670095.db2.gz ISQVXHXVYKCIQZ-MRXNPFEDSA-N 2 1 273.424 2.338 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000647792871 395755448 /nfs/dbraw/zinc/75/54/48/395755448.db2.gz CJPQRPNQOQSYNS-HLLBOEOZSA-N 3 1 277.456 2.005 20 30 CEEDMP C=CC[C@@H]1CC[C@H]([NH2+]CC2([NH+](C)C)CCOCC2)C1 ZINC000651715551 401376792 /nfs/dbraw/zinc/37/67/92/401376792.db2.gz QNNGWCVGOOZUBU-CABCVRRESA-N 2 1 266.429 2.432 20 30 CEEDMP C#CCOc1ccccc1C[NH2+]CCC[NH+]1CCCC1 ZINC000020129181 171016850 /nfs/dbraw/zinc/01/68/50/171016850.db2.gz PFXMJCRLIDSYIN-UHFFFAOYSA-N 2 1 272.392 2.274 20 30 CEEDMP C=CCOCCC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000658206103 415256802 /nfs/dbraw/zinc/25/68/02/415256802.db2.gz MIMJZKAYRCDYLR-ZNMIVQPWSA-N 2 1 252.402 2.042 20 30 CEEDMP C=CC[N@@H+](Cc1ccccc1F)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662253748 415715370 /nfs/dbraw/zinc/71/53/70/415715370.db2.gz WCAUQMOVBZKLSK-OAHLLOKOSA-N 2 1 290.382 2.335 20 30 CEEDMP C=CC[N@H+](Cc1ccccc1F)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662253748 415715376 /nfs/dbraw/zinc/71/53/76/415715376.db2.gz WCAUQMOVBZKLSK-OAHLLOKOSA-N 2 1 290.382 2.335 20 30 CEEDMP C=CC[C@@]1(C(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)CCC[NH2+]1 ZINC000662710187 415939094 /nfs/dbraw/zinc/93/90/94/415939094.db2.gz FMWKXPYVLKNUKE-UXLLHSPISA-N 2 1 293.455 2.064 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CSC[C@H]2C)CC1 ZINC000449126121 260232679 /nfs/dbraw/zinc/23/26/79/260232679.db2.gz UNFGGOKBNNECPW-TZMCWYRMSA-N 2 1 254.443 2.368 20 30 CEEDMP C=CC[C@H](CO)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340356275 263118237 /nfs/dbraw/zinc/11/82/37/263118237.db2.gz YEGNHFWVLRTJGJ-BRWVUGGUSA-N 2 1 274.408 2.349 20 30 CEEDMP C=CC[C@H](CO)[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340356275 263118238 /nfs/dbraw/zinc/11/82/38/263118238.db2.gz YEGNHFWVLRTJGJ-BRWVUGGUSA-N 2 1 274.408 2.349 20 30 CEEDMP C=CCOc1ccc(C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)cc1OC ZINC000414939830 263147455 /nfs/dbraw/zinc/14/74/55/263147455.db2.gz BDNNRLZPVMVSSA-UKRRQHHQSA-N 2 1 290.407 2.490 20 30 CEEDMP C=C[C@H](CO)[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000353576761 263183444 /nfs/dbraw/zinc/18/34/44/263183444.db2.gz ORCSPHDCZXTAMA-SQWLQELKSA-N 2 1 266.429 2.166 20 30 CEEDMP C=C(C)CNC(=[NH2+])NC[C@H]1CC[N@H+](C)[C@H]1c1cccs1 ZINC000370161402 267296456 /nfs/dbraw/zinc/29/64/56/267296456.db2.gz KFTWPDFXTVEBNL-TZMCWYRMSA-N 2 1 292.452 2.431 20 30 CEEDMP C[C@@H]1C[N@@H+](CCC2CC[NH+](CCC#N)CC2)C[C@H](C)O1 ZINC000370206504 267299357 /nfs/dbraw/zinc/29/93/57/267299357.db2.gz BBQXIGCSDKUQRW-GASCZTMLSA-N 2 1 279.428 2.111 20 30 CEEDMP C[C@@H]1C[N@H+](CCC2CC[NH+](CCC#N)CC2)C[C@H](C)O1 ZINC000370206504 267299362 /nfs/dbraw/zinc/29/93/62/267299362.db2.gz BBQXIGCSDKUQRW-GASCZTMLSA-N 2 1 279.428 2.111 20 30 CEEDMP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000436299349 328154679 /nfs/dbraw/zinc/15/46/79/328154679.db2.gz JRLXFUOKHMUWQM-FZKCQIBNSA-N 2 1 266.429 2.288 20 30 CEEDMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=[NH2+])N(C)C)C1 ZINC000264149464 328157971 /nfs/dbraw/zinc/15/79/71/328157971.db2.gz YTHZPPGGTQFHJV-AWEZNQCLSA-N 2 1 288.439 2.295 20 30 CEEDMP C=CCOc1ccc(C[N@H+](C)C2CC([NH3+])C2)cc1OC ZINC000414780742 328224122 /nfs/dbraw/zinc/22/41/22/328224122.db2.gz UEIYAVWJPWMHPY-UHFFFAOYSA-N 2 1 276.380 2.182 20 30 CEEDMP C=CCOc1ccc(C[N@@H+](C)C2CC([NH3+])C2)cc1OC ZINC000414780742 328224123 /nfs/dbraw/zinc/22/41/23/328224123.db2.gz UEIYAVWJPWMHPY-UHFFFAOYSA-N 2 1 276.380 2.182 20 30 CEEDMP C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@H](C[N@@H+](C)CC)C1 ZINC000173906638 329153601 /nfs/dbraw/zinc/15/36/01/329153601.db2.gz KFORVRABSIWZRD-JKSUJKDBSA-N 2 1 295.471 2.073 20 30 CEEDMP [NH2+]=C(NCC1CCC1)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000262809868 330033291 /nfs/dbraw/zinc/03/32/91/330033291.db2.gz NYTIVFCKSFGIIL-INIZCTEOSA-N 2 1 292.471 2.488 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)CCC(F)(F)F ZINC000491070485 332145938 /nfs/dbraw/zinc/14/59/38/332145938.db2.gz CKVXBJCQYDVDPP-NSHDSACASA-N 2 1 250.308 2.262 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)CCC(F)(F)F ZINC000491070485 332145939 /nfs/dbraw/zinc/14/59/39/332145939.db2.gz CKVXBJCQYDVDPP-NSHDSACASA-N 2 1 250.308 2.262 20 30 CEEDMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000049330215 527432769 /nfs/dbraw/zinc/43/27/69/527432769.db2.gz UKVYQSHUEWEKCZ-GFCCVEGCSA-N 2 1 254.337 2.414 20 30 CEEDMP C[NH+]1CCN(N=C2CCCC[C@H]2[NH+]2CCCCC2)CC1 ZINC000748778566 574440840 /nfs/dbraw/zinc/44/08/40/574440840.db2.gz NXRBHTHFYGYBNM-MRXNPFEDSA-N 2 1 278.444 2.018 20 30 CEEDMP C=CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001024436232 625553803 /nfs/dbraw/zinc/55/38/03/625553803.db2.gz AJFARSRIEDJJTI-JKSUJKDBSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001024436232 625553808 /nfs/dbraw/zinc/55/38/08/625553808.db2.gz AJFARSRIEDJJTI-JKSUJKDBSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001024436232 625553816 /nfs/dbraw/zinc/55/38/16/625553816.db2.gz AJFARSRIEDJJTI-JKSUJKDBSA-N 2 1 293.455 2.016 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+]C2CCC(C)(O)CC2)CC1 ZINC000892880783 627827577 /nfs/dbraw/zinc/82/75/77/627827577.db2.gz JKAXXNTVDAXMGK-UHFFFAOYSA-N 2 1 266.429 2.310 20 30 CEEDMP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001020238861 627949011 /nfs/dbraw/zinc/94/90/11/627949011.db2.gz GDJDZSSHYDXGAB-JYJNAYRXSA-N 2 1 293.455 2.062 20 30 CEEDMP C=CC[N@H+](C)C1CCN(C(=O)c2cccc3nccn32)CC1 ZINC000985534916 631123590 /nfs/dbraw/zinc/12/35/90/631123590.db2.gz LKAWCXMWUPOZBO-UHFFFAOYSA-N 2 1 298.390 2.057 20 30 CEEDMP CC(C)[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000817958068 633800824 /nfs/dbraw/zinc/80/08/24/633800824.db2.gz GWYBYQXJSWNNNY-SWLSCSKDSA-N 2 1 261.369 2.223 20 30 CEEDMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902789314 634833487 /nfs/dbraw/zinc/83/34/87/634833487.db2.gz DUQXXRONQDJOHF-QWHCGFSZSA-N 2 1 283.379 2.445 20 30 CEEDMP CC[C@H](NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cccc(C#N)c1 ZINC000902793313 634835379 /nfs/dbraw/zinc/83/53/79/634835379.db2.gz HEIMBFNOJLQJFQ-KURKYZTESA-N 2 1 299.418 2.462 20 30 CEEDMP CC[C@H](NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1cccc(C#N)c1 ZINC000902793313 634835382 /nfs/dbraw/zinc/83/53/82/634835382.db2.gz HEIMBFNOJLQJFQ-KURKYZTESA-N 2 1 299.418 2.462 20 30 CEEDMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](CC1CCC(C#N)CC1)C2 ZINC000903474901 635144083 /nfs/dbraw/zinc/14/40/83/635144083.db2.gz TUYSCXCKEOJNTF-STONLHKKSA-N 2 1 261.413 2.248 20 30 CEEDMP Cc1cc(C#N)cc(C)c1C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000903476692 635146165 /nfs/dbraw/zinc/14/61/65/635146165.db2.gz GITXPHOKTHKROG-UKRRQHHQSA-N 2 1 257.381 2.202 20 30 CEEDMP C=CC[C@@H]1CCC[N@@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903767330 635259660 /nfs/dbraw/zinc/25/96/60/635259660.db2.gz VPZWROGKVDTRRW-OAGGEKHMSA-N 2 1 264.413 2.043 20 30 CEEDMP N#Cc1ccc([C@@H]2C[N@@H+](CC[C@@H]3CCC[NH2+]C3)CCO2)cc1 ZINC000903825009 635292051 /nfs/dbraw/zinc/29/20/51/635292051.db2.gz XAZAPLWWXCVIMI-WMZOPIPTSA-N 2 1 299.418 2.321 20 30 CEEDMP C=CC[C@@H]1CCC[N@H+](C[C@@H](C[NH3+])Cc2cnn(C)c2C)C1 ZINC000903933797 635359486 /nfs/dbraw/zinc/35/94/86/635359486.db2.gz VNOUTHNHCLNKGH-HZPDHXFCSA-N 2 1 290.455 2.134 20 30 CEEDMP C[NH+]1CCC2(CCC[N@H+](Cc3ccncc3C#N)C2)CC1 ZINC000828456957 636601459 /nfs/dbraw/zinc/60/14/59/636601459.db2.gz LNODUGVRJUOIAT-UHFFFAOYSA-N 2 1 284.407 2.261 20 30 CEEDMP C[NH+]1CCC2(CCC[N@@H+](Cc3ccncc3C#N)C2)CC1 ZINC000828456957 636601465 /nfs/dbraw/zinc/60/14/65/636601465.db2.gz LNODUGVRJUOIAT-UHFFFAOYSA-N 2 1 284.407 2.261 20 30 CEEDMP CSCCC[NH+]=C(NC[C@H](C)[NH+](C)C)NC(C)(C)C ZINC000912508131 638713264 /nfs/dbraw/zinc/71/32/64/638713264.db2.gz HZFSLTIYRMLYQD-LBPRGKRZSA-N 2 1 288.505 2.023 20 30 CEEDMP C=CCNC(=[NH2+])NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000848981553 642203977 /nfs/dbraw/zinc/20/39/77/642203977.db2.gz TXXQRLKELCNZBU-GFCCVEGCSA-N 2 1 278.425 2.185 20 30 CEEDMP C=C(C)C[NH2+][C@H]1CCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC000999403055 642486978 /nfs/dbraw/zinc/48/69/78/642486978.db2.gz ULBFKXUEDHZVIE-JKSUJKDBSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001000375292 642596011 /nfs/dbraw/zinc/59/60/11/642596011.db2.gz CCLLGJZYJRNOKW-CVEARBPZSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CCC[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001002954593 642876498 /nfs/dbraw/zinc/87/64/98/642876498.db2.gz FGTSQAVWEVAMOR-MRXNPFEDSA-N 2 1 293.455 2.018 20 30 CEEDMP C#CC[NH+]1CC[C@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856598353 644696734 /nfs/dbraw/zinc/69/67/34/644696734.db2.gz HTXNYRMSNYYPJQ-KRWDZBQOSA-N 2 1 287.407 2.008 20 30 CEEDMP C#CC[N@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856598353 644696737 /nfs/dbraw/zinc/69/67/37/644696737.db2.gz HTXNYRMSNYYPJQ-KRWDZBQOSA-N 2 1 287.407 2.008 20 30 CEEDMP C#CC[N@@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856598353 644696741 /nfs/dbraw/zinc/69/67/41/644696741.db2.gz HTXNYRMSNYYPJQ-KRWDZBQOSA-N 2 1 287.407 2.008 20 30 CEEDMP C=CC[NH+](CC(O)C[N@@H+](CC=C)C(C)C)C(C)C ZINC000773730758 646770445 /nfs/dbraw/zinc/77/04/45/646770445.db2.gz QYTSUKBFQGZODS-UHFFFAOYSA-N 2 1 254.418 2.140 20 30 CEEDMP C=CC[NH+](CC(O)C[N@H+](CC=C)C(C)C)C(C)C ZINC000773730758 646770446 /nfs/dbraw/zinc/77/04/46/646770446.db2.gz QYTSUKBFQGZODS-UHFFFAOYSA-N 2 1 254.418 2.140 20 30 CEEDMP C[C@@H]1C[N@H+](CC2(CC#N)CC2)CCN1c1cc[nH+]cc1 ZINC000880259361 651411517 /nfs/dbraw/zinc/41/15/17/651411517.db2.gz QXQRMBJQXTUWPV-CQSZACIVSA-N 2 1 270.380 2.286 20 30 CEEDMP C[C@@H]1C[N@@H+](CC2(CC#N)CC2)CCN1c1cc[nH+]cc1 ZINC000880259361 651411518 /nfs/dbraw/zinc/41/15/18/651411518.db2.gz QXQRMBJQXTUWPV-CQSZACIVSA-N 2 1 270.380 2.286 20 30 CEEDMP C=CC[C@@H](C(=O)OC)[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000880517202 651454176 /nfs/dbraw/zinc/45/41/76/651454176.db2.gz LVMGGJLSHUDYNR-HNNXBMFYSA-N 2 1 282.428 2.302 20 30 CEEDMP C=CC[C@@H](C(=O)OC)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000880517202 651454178 /nfs/dbraw/zinc/45/41/78/651454178.db2.gz LVMGGJLSHUDYNR-HNNXBMFYSA-N 2 1 282.428 2.302 20 30 CEEDMP C#CC[C@@H](CO)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000883125780 652370863 /nfs/dbraw/zinc/37/08/63/652370863.db2.gz UMCXHLGRNAUEPG-MSOLQXFVSA-N 2 1 298.430 2.157 20 30 CEEDMP C#CC[C@@H](CO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000883125780 652370867 /nfs/dbraw/zinc/37/08/67/652370867.db2.gz UMCXHLGRNAUEPG-MSOLQXFVSA-N 2 1 298.430 2.157 20 30 CEEDMP C=CCC[C@@H]([NH2+]C1CC[NH+](CCOC)CC1)[C@@H]1CCCO1 ZINC000883178270 652390621 /nfs/dbraw/zinc/39/06/21/652390621.db2.gz SQWSWJAQTPRUAD-SJORKVTESA-N 2 1 296.455 2.201 20 30 CEEDMP C=C(C)CC[NH2+][C@@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)C(C)C ZINC001271902966 806135750 /nfs/dbraw/zinc/13/57/50/806135750.db2.gz TZIWEOQJGFGHHE-CVEARBPZSA-N 2 1 295.471 2.025 20 30 CEEDMP C=C(C)CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001027971720 804371565 /nfs/dbraw/zinc/37/15/65/804371565.db2.gz KRJAODJHCFGKMG-JKSUJKDBSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001027971720 804371573 /nfs/dbraw/zinc/37/15/73/804371573.db2.gz KRJAODJHCFGKMG-JKSUJKDBSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001027971720 804371581 /nfs/dbraw/zinc/37/15/81/804371581.db2.gz KRJAODJHCFGKMG-JKSUJKDBSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001027971720 804371587 /nfs/dbraw/zinc/37/15/87/804371587.db2.gz KRJAODJHCFGKMG-JKSUJKDBSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C[C@@H]1CC ZINC001269182965 805072291 /nfs/dbraw/zinc/07/22/91/805072291.db2.gz RCUOTOFUVPRLBX-JKSUJKDBSA-N 2 1 295.471 2.121 20 30 CEEDMP C=CCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001171546576 815187977 /nfs/dbraw/zinc/18/79/77/815187977.db2.gz LIYDCMJKFUWVMW-JKSUJKDBSA-N 2 1 295.471 2.311 20 30 CEEDMP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001171817106 815233052 /nfs/dbraw/zinc/23/30/52/815233052.db2.gz QNLQAAUBWZEQCY-CQSZACIVSA-N 2 1 292.427 2.032 20 30 CEEDMP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001034796185 809695998 /nfs/dbraw/zinc/69/59/98/809695998.db2.gz DYHDHTSJKACYSF-BZUAXINKSA-N 2 1 293.455 2.064 20 30 CEEDMP C[C@H](Cc1ccc(C#N)cc1)[N@@H+](C)CCC[NH+](C)C ZINC001172308469 815365619 /nfs/dbraw/zinc/36/56/19/815365619.db2.gz KPJVKRYQJOALSQ-CQSZACIVSA-N 2 1 259.397 2.373 20 30 CEEDMP C=CCC[C@H](C)[NH2+]CCNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001129329541 811110996 /nfs/dbraw/zinc/11/09/96/811110996.db2.gz YFBQAHTYRUBZOA-HOTGVXAUSA-N 2 1 295.471 2.025 20 30 CEEDMP C[C@H](CCCC#N)[NH+]1CCC2(CC(N(C)C)=[NH+]O2)CC1 ZINC001172498765 815454640 /nfs/dbraw/zinc/45/46/40/815454640.db2.gz NVZGBGAZTFXXLB-CYBMUJFWSA-N 2 1 278.400 2.199 20 30 CEEDMP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[N@H+](C)CC)C2 ZINC001109932927 811971904 /nfs/dbraw/zinc/97/19/04/811971904.db2.gz ZHGFJXLSALMCIW-PMPSAXMXSA-N 2 1 293.455 2.016 20 30 CEEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)CC)C2 ZINC001109932927 811971907 /nfs/dbraw/zinc/97/19/07/811971907.db2.gz ZHGFJXLSALMCIW-PMPSAXMXSA-N 2 1 293.455 2.016 20 30 CEEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)CC)C2 ZINC001109932927 811971910 /nfs/dbraw/zinc/97/19/10/811971910.db2.gz ZHGFJXLSALMCIW-PMPSAXMXSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CCC[NH+]1C[C@H](NC(=O)C(C)(C)[N@H+](C)CC)CC[C@H]1C ZINC001132152426 812791922 /nfs/dbraw/zinc/79/19/22/812791922.db2.gz CDIFYGCOLJQGMZ-HUUCEWRRSA-N 2 1 295.471 2.262 20 30 CEEDMP C=CCC[N@@H+]1C[C@H](NC(=O)C(C)(C)[NH+](C)CC)CC[C@H]1C ZINC001132152426 812791926 /nfs/dbraw/zinc/79/19/26/812791926.db2.gz CDIFYGCOLJQGMZ-HUUCEWRRSA-N 2 1 295.471 2.262 20 30 CEEDMP C=CCC[N@H+]1C[C@H](NC(=O)C(C)(C)[NH+](C)CC)CC[C@H]1C ZINC001132152426 812791931 /nfs/dbraw/zinc/79/19/31/812791931.db2.gz CDIFYGCOLJQGMZ-HUUCEWRRSA-N 2 1 295.471 2.262 20 30 CEEDMP C=C(C)CC[NH+]1C[C@H](NC(=O)C[N@H+](C)C(C)C)CC[C@H]1C ZINC001132519070 812872801 /nfs/dbraw/zinc/87/28/01/812872801.db2.gz SEPKCGCKPLLEQH-HZPDHXFCSA-N 2 1 295.471 2.262 20 30 CEEDMP C=C(C)CC[N@@H+]1C[C@H](NC(=O)C[NH+](C)C(C)C)CC[C@H]1C ZINC001132519070 812872808 /nfs/dbraw/zinc/87/28/08/812872808.db2.gz SEPKCGCKPLLEQH-HZPDHXFCSA-N 2 1 295.471 2.262 20 30 CEEDMP C=C(C)CC[N@H+]1C[C@H](NC(=O)C[NH+](C)C(C)C)CC[C@H]1C ZINC001132519070 812872815 /nfs/dbraw/zinc/87/28/15/812872815.db2.gz SEPKCGCKPLLEQH-HZPDHXFCSA-N 2 1 295.471 2.262 20 30 CEEDMP C=CCC[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001132736960 812935038 /nfs/dbraw/zinc/93/50/38/812935038.db2.gz GUWTZOCJGHFODJ-JKSUJKDBSA-N 2 1 295.471 2.169 20 30 CEEDMP C=CC[NH2+][C@H](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001135583637 813469279 /nfs/dbraw/zinc/46/92/79/813469279.db2.gz BTOLXMPXLKTOMS-KGLIPLIRSA-N 2 1 292.427 2.065 20 30 CEEDMP CCCCCCCC[C@H](O)C[NH2+][C@H]1C[C@@H]2C[NH2+][C@H]1C2 ZINC001246016790 813662225 /nfs/dbraw/zinc/66/22/25/813662225.db2.gz VJDNJYSQFFQDAZ-UGUYLWEFSA-N 2 1 268.445 2.438 20 30 CEEDMP C[C@H](Cc1cccc(C#N)c1)[N@@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001171229263 814199723 /nfs/dbraw/zinc/19/97/23/814199723.db2.gz LIYUSEJUCWPKHU-ZTFGCOKTSA-N 2 1 283.419 2.373 20 30 CEEDMP C[C@H](Cc1cccc(C#N)c1)[N@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001171229263 814199727 /nfs/dbraw/zinc/19/97/27/814199727.db2.gz LIYUSEJUCWPKHU-ZTFGCOKTSA-N 2 1 283.419 2.373 20 30 CEEDMP C=CCCC[NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC001147359793 814428781 /nfs/dbraw/zinc/42/87/81/814428781.db2.gz VRBWPPYSNKVNCT-INIZCTEOSA-N 2 1 295.471 2.313 20 30 CEEDMP CC[N@@H+]1CCO[C@@H]2C[NH+](C3CCC(CC#N)CC3)C[C@@H]2C1 ZINC001173335286 815680996 /nfs/dbraw/zinc/68/09/96/815680996.db2.gz HKSJKKKDVKFDME-ODZFXCKXSA-N 2 1 291.439 2.111 20 30 CEEDMP CC[N@H+]1CCO[C@@H]2C[NH+](C3CCC(CC#N)CC3)C[C@@H]2C1 ZINC001173335286 815681001 /nfs/dbraw/zinc/68/10/01/815681001.db2.gz HKSJKKKDVKFDME-ODZFXCKXSA-N 2 1 291.439 2.111 20 30 CEEDMP CC[NH+]1CCO[C@@H]2C[N@@H+](C3CCC(CC#N)CC3)C[C@@H]2C1 ZINC001173335286 815681004 /nfs/dbraw/zinc/68/10/04/815681004.db2.gz HKSJKKKDVKFDME-ODZFXCKXSA-N 2 1 291.439 2.111 20 30 CEEDMP CC[NH+]1CCO[C@@H]2C[N@H+](C3CCC(CC#N)CC3)C[C@@H]2C1 ZINC001173335286 815681011 /nfs/dbraw/zinc/68/10/11/815681011.db2.gz HKSJKKKDVKFDME-ODZFXCKXSA-N 2 1 291.439 2.111 20 30 CEEDMP C[NH+]1CC[C@@H]2C[N@@H+](C3CCC(C)(C#N)CC3)C[C@@H]2C1 ZINC001173595568 815755947 /nfs/dbraw/zinc/75/59/47/815755947.db2.gz ROHWFYXBGVSFMC-QVOMUQBLSA-N 2 1 261.413 2.342 20 30 CEEDMP C[NH+]1CC[C@@H]2C[N@H+](C3CCC(C)(C#N)CC3)C[C@@H]2C1 ZINC001173595568 815755951 /nfs/dbraw/zinc/75/59/51/815755951.db2.gz ROHWFYXBGVSFMC-QVOMUQBLSA-N 2 1 261.413 2.342 20 30 CEEDMP C[N@@H+]1C[C@@H]2C[NH+](Cc3c[nH]c4cc(C#N)ccc34)C[C@@H]2C1 ZINC001142922505 816757429 /nfs/dbraw/zinc/75/74/29/816757429.db2.gz KLVWAPVWSYURBS-GASCZTMLSA-N 2 1 280.375 2.033 20 30 CEEDMP C[NH+]1C[C@@H]2C[N@@H+](Cc3c[nH]c4cc(C#N)ccc34)C[C@@H]2C1 ZINC001142922505 816757434 /nfs/dbraw/zinc/75/74/34/816757434.db2.gz KLVWAPVWSYURBS-GASCZTMLSA-N 2 1 280.375 2.033 20 30 CEEDMP C=CCC[C@H](O)C[NH+]1CCC([NH2+]C2CCCC2)CC1 ZINC000128682116 365801309 /nfs/dbraw/zinc/80/13/09/365801309.db2.gz ZARPEBCVUJRMPP-INIZCTEOSA-N 2 1 266.429 2.310 20 30 CEEDMP CC(C)[NH+]1CCN([C@H]2CC[N@H+](C[C@@H](C)CCC#N)C2)CC1 ZINC000602481131 347053490 /nfs/dbraw/zinc/05/34/90/347053490.db2.gz FICIDSXTRMFGJG-IRXDYDNUSA-N 2 1 292.471 2.027 20 30 CEEDMP COc1cc(CNC[C@@H]2CC[N@H+](C(C)C)C2)ccc1C#N ZINC000234916123 344588251 /nfs/dbraw/zinc/58/82/51/344588251.db2.gz WDHHBNOKARMHBL-HNNXBMFYSA-N 2 1 287.407 2.387 20 30 CEEDMP COc1cc(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)ccc1C#N ZINC000234916123 344588252 /nfs/dbraw/zinc/58/82/52/344588252.db2.gz WDHHBNOKARMHBL-HNNXBMFYSA-N 2 1 287.407 2.387 20 30 CEEDMP COc1cc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)ccc1C#N ZINC000234916123 344588254 /nfs/dbraw/zinc/58/82/54/344588254.db2.gz WDHHBNOKARMHBL-HNNXBMFYSA-N 2 1 287.407 2.387 20 30 CEEDMP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccc(C#N)cc1F ZINC000591570766 345264495 /nfs/dbraw/zinc/26/44/95/345264495.db2.gz KBYXZGSFODKHRK-ABAIWWIYSA-N 2 1 261.344 2.175 20 30 CEEDMP C[C@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccc(C#N)cc1F ZINC000591572795 345265273 /nfs/dbraw/zinc/26/52/73/345265273.db2.gz SDHKMTAILGNVAX-AAEUAGOBSA-N 2 1 261.344 2.490 20 30 CEEDMP C[NH+](C)CCC[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594928552 345705652 /nfs/dbraw/zinc/70/56/52/345705652.db2.gz NXLBBEQPYOZWLK-UHFFFAOYSA-N 2 1 257.381 2.283 20 30 CEEDMP N#Cc1ccc(CC[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000595892153 345908030 /nfs/dbraw/zinc/90/80/30/345908030.db2.gz LDRRHYVUDLZOBY-KRWDZBQOSA-N 2 1 269.392 2.176 20 30 CEEDMP N#Cc1ccc2c(c1)[C@H]([NH2+]CC1([NH3+])CCCC1)CC2 ZINC000596647777 346071496 /nfs/dbraw/zinc/07/14/96/346071496.db2.gz BIIFQNMTRZQBFL-OAHLLOKOSA-N 2 1 255.365 2.407 20 30 CEEDMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000600710279 346675732 /nfs/dbraw/zinc/67/57/32/346675732.db2.gz NCTACHGQUYFWRM-ZWKOTPCHSA-N 2 1 298.434 2.257 20 30 CEEDMP C[C@@H](CCC#N)C[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000602633172 347114471 /nfs/dbraw/zinc/11/44/71/347114471.db2.gz LMTBBOLIJCJCSY-LSDHHAIUSA-N 2 1 267.417 2.017 20 30 CEEDMP CC[N@H+]1CC[C@H](N(C)Cc2ccnc(C#N)c2)[C@@H](C)C1 ZINC000610994682 347730250 /nfs/dbraw/zinc/73/02/50/347730250.db2.gz IWOZIIGPTAMQEG-BBRMVZONSA-N 2 1 272.396 2.115 20 30 CEEDMP C#CCOc1ccccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000106868631 186144461 /nfs/dbraw/zinc/14/44/61/186144461.db2.gz SRZHYDSHXIEKFZ-DLBZAZTESA-N 2 1 284.403 2.415 20 30 CEEDMP C#CCOc1ccccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000106868631 186144463 /nfs/dbraw/zinc/14/44/63/186144463.db2.gz SRZHYDSHXIEKFZ-DLBZAZTESA-N 2 1 284.403 2.415 20 30 CEEDMP C=CCCC[N@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629560532 351414781 /nfs/dbraw/zinc/41/47/81/351414781.db2.gz FOGJBVBLNYRCDX-GHMZBOCLSA-N 2 1 250.308 2.412 20 30 CEEDMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCCC2(C#N)CCOCC2)C1 ZINC000337190063 366064613 /nfs/dbraw/zinc/06/46/13/366064613.db2.gz RMKHGBBHAAFCBY-INIZCTEOSA-N 2 1 293.455 2.361 20 30 CEEDMP CC[NH+](C)C[C@@H]1CC[N@H+](CCCC2(C#N)CCOCC2)C1 ZINC000337190063 366064618 /nfs/dbraw/zinc/06/46/18/366064618.db2.gz RMKHGBBHAAFCBY-INIZCTEOSA-N 2 1 293.455 2.361 20 30 CEEDMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCCC2(C#N)CCOCC2)C1 ZINC000337190063 366064622 /nfs/dbraw/zinc/06/46/22/366064622.db2.gz RMKHGBBHAAFCBY-INIZCTEOSA-N 2 1 293.455 2.361 20 30 CEEDMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=[NH2+])N(C)C)cc1 ZINC000170911247 367446173 /nfs/dbraw/zinc/44/61/73/367446173.db2.gz YNNFOHHNWZXDJU-AWEZNQCLSA-N 2 1 288.439 2.437 20 30 CEEDMP CCC[N@H+]1CC[C@@H](CNCc2ccc(C#N)s2)C1 ZINC000176954115 368256245 /nfs/dbraw/zinc/25/62/45/368256245.db2.gz NBOCMLTVKBQBKI-LBPRGKRZSA-N 2 1 263.410 2.441 20 30 CEEDMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC000176954115 368256248 /nfs/dbraw/zinc/25/62/48/368256248.db2.gz NBOCMLTVKBQBKI-LBPRGKRZSA-N 2 1 263.410 2.441 20 30 CEEDMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC000176954115 368256251 /nfs/dbraw/zinc/25/62/51/368256251.db2.gz NBOCMLTVKBQBKI-LBPRGKRZSA-N 2 1 263.410 2.441 20 30 CEEDMP C=CCc1cc(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc(OC)c1O ZINC000346636916 368745309 /nfs/dbraw/zinc/74/53/09/368745309.db2.gz IFOPCEMGQOEHHA-DOMZBBRYSA-N 2 1 290.407 2.298 20 30 CEEDMP C=CCOc1ccccc1C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000346650721 368751011 /nfs/dbraw/zinc/75/10/11/368751011.db2.gz PZDPXEWYBJQQHL-KBPBESRZSA-N 2 1 260.381 2.421 20 30 CEEDMP C=CCOCCC[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000348061328 368880450 /nfs/dbraw/zinc/88/04/50/368880450.db2.gz YIKDTBQJDRIUBK-HNNXBMFYSA-N 2 1 254.418 2.385 20 30 CEEDMP C=CCOCCC[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000348061328 368880457 /nfs/dbraw/zinc/88/04/57/368880457.db2.gz YIKDTBQJDRIUBK-HNNXBMFYSA-N 2 1 254.418 2.385 20 30 CEEDMP C=CCOCCC[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000348061328 368880461 /nfs/dbraw/zinc/88/04/61/368880461.db2.gz YIKDTBQJDRIUBK-HNNXBMFYSA-N 2 1 254.418 2.385 20 30 CEEDMP C=CCNC(=[NH2+])NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000264113463 371972634 /nfs/dbraw/zinc/97/26/34/371972634.db2.gz RRSYHAAWJQDJKN-ZDUSSCGKSA-N 2 1 292.452 2.050 20 30 CEEDMP C[N@H+](Cc1ccc(C#N)c(F)c1)CC1CC[NH+](C)CC1 ZINC000361838496 372092082 /nfs/dbraw/zinc/09/20/82/372092082.db2.gz BNQCUBMREGRCSR-UHFFFAOYSA-N 2 1 275.371 2.471 20 30 CEEDMP C=C(C)[C@H]1OCC[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000367204956 373141165 /nfs/dbraw/zinc/14/11/65/373141165.db2.gz FTDXCODLICDYCF-NIOBXDJOSA-N 2 1 264.413 2.182 20 30 CEEDMP C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000280772326 375316161 /nfs/dbraw/zinc/31/61/61/375316161.db2.gz ZSMBBARDILYNRT-XJKSGUPXSA-N 2 1 275.396 2.218 20 30 CEEDMP COc1cc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)ccc1C#N ZINC000414766133 375956536 /nfs/dbraw/zinc/95/65/36/375956536.db2.gz RAVMRQLQPCQBMS-UHFFFAOYSA-N 2 1 285.391 2.142 20 30 CEEDMP COc1cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)ccc1C#N ZINC000318500872 376813779 /nfs/dbraw/zinc/81/37/79/376813779.db2.gz XVULYKYYRONRAR-SJORKVTESA-N 2 1 299.418 2.483 20 30 CEEDMP COc1cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)ccc1C#N ZINC000318500872 376813781 /nfs/dbraw/zinc/81/37/81/376813781.db2.gz XVULYKYYRONRAR-SJORKVTESA-N 2 1 299.418 2.483 20 30 CEEDMP COc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)ccc1C#N ZINC000318500872 376813785 /nfs/dbraw/zinc/81/37/85/376813785.db2.gz XVULYKYYRONRAR-SJORKVTESA-N 2 1 299.418 2.483 20 30 CEEDMP COc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)ccc1C#N ZINC000318500872 376813790 /nfs/dbraw/zinc/81/37/90/376813790.db2.gz XVULYKYYRONRAR-SJORKVTESA-N 2 1 299.418 2.483 20 30 CEEDMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000562105100 376844301 /nfs/dbraw/zinc/84/43/01/376844301.db2.gz YUGFXFUSFHYARM-INIZCTEOSA-N 2 1 266.348 2.111 20 30 CEEDMP C[C@H](c1cccc(C#N)c1)[N@H+](C)C[C@@H](O)CN(C)C1CC1 ZINC000425530907 377367742 /nfs/dbraw/zinc/36/77/42/377367742.db2.gz GFGCYEXUCPJCAT-CXAGYDPISA-N 2 1 287.407 2.006 20 30 CEEDMP C[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@H](O)CN(C)C1CC1 ZINC000425530907 377367748 /nfs/dbraw/zinc/36/77/48/377367748.db2.gz GFGCYEXUCPJCAT-CXAGYDPISA-N 2 1 287.407 2.006 20 30 CEEDMP C#CCOc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000264977595 190149281 /nfs/dbraw/zinc/14/92/81/190149281.db2.gz SPHFGFILPSTPHQ-MSOLQXFVSA-N 2 1 284.403 2.415 20 30 CEEDMP C#CCOc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000264977595 190149282 /nfs/dbraw/zinc/14/92/82/190149282.db2.gz SPHFGFILPSTPHQ-MSOLQXFVSA-N 2 1 284.403 2.415 20 30 CEEDMP C[N@H+]1CC[C@@H]2CCN(Cc3cc(C#N)cs3)[C@H]2C1 ZINC000334398319 380355233 /nfs/dbraw/zinc/35/52/33/380355233.db2.gz LXWFDCNRVOPZSD-OCCSQVGLSA-N 2 1 261.394 2.146 20 30 CEEDMP [NH2+]=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)NC1CC1 ZINC000261904914 394609295 /nfs/dbraw/zinc/60/92/95/394609295.db2.gz WUFGKDUWTLKJSQ-GFCCVEGCSA-N 2 1 292.452 2.027 20 30 CEEDMP C=CCCC[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000373123789 395055149 /nfs/dbraw/zinc/05/51/49/395055149.db2.gz IJNYYOOXOYXBER-INIZCTEOSA-N 2 1 265.445 2.055 20 30 CEEDMP C=CCCC[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000373123789 395055151 /nfs/dbraw/zinc/05/51/51/395055151.db2.gz IJNYYOOXOYXBER-INIZCTEOSA-N 2 1 265.445 2.055 20 30 CEEDMP C#Cc1ccc(C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)cc1 ZINC000289494032 395078528 /nfs/dbraw/zinc/07/85/28/395078528.db2.gz RZYLACLEMWVHKE-UHFFFAOYSA-N 2 1 299.462 2.126 20 30 CEEDMP C=C(C)CC[NH+]1CCC([NH+](CCOC)CCOC)CC1 ZINC000353024611 395285256 /nfs/dbraw/zinc/28/52/56/395285256.db2.gz PHRXFDPANVBEAP-UHFFFAOYSA-N 2 1 284.444 2.012 20 30 CEEDMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@H](C)CCC#N)C1 ZINC000411309191 395326424 /nfs/dbraw/zinc/32/64/24/395326424.db2.gz QRXVVKPQCNQYLY-HUUCEWRRSA-N 2 1 267.417 2.111 20 30 CEEDMP Cc1cc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)ccc1C#N ZINC000443971891 395407981 /nfs/dbraw/zinc/40/79/81/395407981.db2.gz WOXOKRXZOQDUGM-OAHLLOKOSA-N 2 1 269.392 2.441 20 30 CEEDMP C=CC[C@]1(C(=O)NCCC[N@@H+]2CCCC[C@@H]2C)CCC[NH2+]1 ZINC000662668533 415926568 /nfs/dbraw/zinc/92/65/68/415926568.db2.gz OJJIYZJRMXDSAA-DOTOQJQBSA-N 2 1 293.455 2.065 20 30 CEEDMP C=CCOc1cccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000357101846 266248502 /nfs/dbraw/zinc/24/85/02/266248502.db2.gz FEDSSVMVZOPTPX-CVEARBPZSA-N 2 1 272.392 2.293 20 30 CEEDMP C=CCOc1cccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000357101846 266248506 /nfs/dbraw/zinc/24/85/06/266248506.db2.gz FEDSSVMVZOPTPX-CVEARBPZSA-N 2 1 272.392 2.293 20 30 CEEDMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1C[NH3+] ZINC000397386749 267075427 /nfs/dbraw/zinc/07/54/27/267075427.db2.gz MFLXBQCLICQERJ-XJKCOSOUSA-N 2 1 257.381 2.363 20 30 CEEDMP C#CCC[NH+]1CCCC2(CCC[N@H+](CCC#C)C2)C1 ZINC000368246796 267155676 /nfs/dbraw/zinc/15/56/76/267155676.db2.gz YCSJTYIPQHUTBI-UHFFFAOYSA-N 2 1 258.409 2.211 20 30 CEEDMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]CCCCC#N ZINC000370644248 267333501 /nfs/dbraw/zinc/33/35/01/267333501.db2.gz FKGIOUKJYLVZFX-BZUAXINKSA-N 2 1 279.428 2.159 20 30 CEEDMP N#Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])CC2 ZINC000424378180 281153776 /nfs/dbraw/zinc/15/37/76/281153776.db2.gz SPHQGAHAHLRDJL-OWCLPIDISA-N 2 1 255.365 2.405 20 30 CEEDMP COc1ccc(C#N)cc1C[N@H+]1CC[C@@H](c2nccn2C)C1 ZINC000580694817 322335856 /nfs/dbraw/zinc/33/58/56/322335856.db2.gz JLDXNEVKMUMGTA-CQSZACIVSA-N 2 1 296.374 2.290 20 30 CEEDMP CCCCCCC[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000378547750 329054559 /nfs/dbraw/zinc/05/45/59/329054559.db2.gz YPCRQEXVILCUSW-UHFFFAOYSA-N 2 1 298.471 2.116 20 30 CEEDMP C=CCN(CC=C)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[NH3+])C(C)C ZINC000422827684 330156603 /nfs/dbraw/zinc/15/66/03/330156603.db2.gz FAWXOZPRSLGXSB-ARFHVFGLSA-N 2 1 265.445 2.154 20 30 CEEDMP C=CCC[C@H]([NH2+]C1CC[NH+](CCOC)CC1)C1CC1 ZINC000120522212 330389287 /nfs/dbraw/zinc/38/92/87/330389287.db2.gz ZDEULCXLMZJVMW-INIZCTEOSA-N 2 1 266.429 2.432 20 30 CEEDMP CC[N@H+]1CC[C@H]([NH+](C)CCCSCC#N)[C@@H](C)C1 ZINC000247338363 334279313 /nfs/dbraw/zinc/27/93/13/334279313.db2.gz ZOZTXVMGDPRNDJ-KBPBESRZSA-N 2 1 269.458 2.295 20 30 CEEDMP CC[NH+]1CC[C@H]([N@H+](C)CCCSCC#N)[C@@H](C)C1 ZINC000247338363 334279314 /nfs/dbraw/zinc/27/93/14/334279314.db2.gz ZOZTXVMGDPRNDJ-KBPBESRZSA-N 2 1 269.458 2.295 20 30 CEEDMP CC[NH+]1CC[C@H]([N@@H+](C)CCCSCC#N)[C@@H](C)C1 ZINC000247338363 334279315 /nfs/dbraw/zinc/27/93/15/334279315.db2.gz ZOZTXVMGDPRNDJ-KBPBESRZSA-N 2 1 269.458 2.295 20 30 CEEDMP C=C(C)C[NH2+][C@@H]1CC[N@H+](CCCOCC)C[C@@H]1C ZINC000249171669 334329291 /nfs/dbraw/zinc/32/92/91/334329291.db2.gz BRJXEOMTRCWHOL-LSDHHAIUSA-N 2 1 254.418 2.289 20 30 CEEDMP C=CC[NH+]1CCC([NH2+]C[C@H](O)CCC(C)C)CC1 ZINC000578232288 335589219 /nfs/dbraw/zinc/58/92/19/335589219.db2.gz NWJLJXLUTFRUQJ-OAHLLOKOSA-N 2 1 254.418 2.024 20 30 CEEDMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000049330213 527430867 /nfs/dbraw/zinc/43/08/67/527430867.db2.gz UKVYQSHUEWEKCZ-LBPRGKRZSA-N 2 1 254.337 2.414 20 30 CEEDMP C=CCC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001024513538 625591711 /nfs/dbraw/zinc/59/17/11/625591711.db2.gz QRMQECVHFDVDFP-JKSUJKDBSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001024513538 625591713 /nfs/dbraw/zinc/59/17/13/625591713.db2.gz QRMQECVHFDVDFP-JKSUJKDBSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001024513538 625591718 /nfs/dbraw/zinc/59/17/18/625591718.db2.gz QRMQECVHFDVDFP-JKSUJKDBSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001024513538 625591725 /nfs/dbraw/zinc/59/17/25/625591725.db2.gz QRMQECVHFDVDFP-JKSUJKDBSA-N 2 1 293.455 2.018 20 30 CEEDMP C[N@H+](Cc1csc(C#N)c1)CC1CC[NH+](C)CC1 ZINC000891934844 624116568 /nfs/dbraw/zinc/11/65/68/624116568.db2.gz WXXQNYZFLXYJHQ-UHFFFAOYSA-N 2 1 263.410 2.393 20 30 CEEDMP C#CC[C@H](CO)[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000895490025 630217691 /nfs/dbraw/zinc/21/76/91/630217691.db2.gz JSXJELOIGXDFDM-ZHALLVOQSA-N 2 1 298.430 2.328 20 30 CEEDMP C#CC[C@H](CO)[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000895490025 630217693 /nfs/dbraw/zinc/21/76/93/630217693.db2.gz JSXJELOIGXDFDM-ZHALLVOQSA-N 2 1 298.430 2.328 20 30 CEEDMP COc1ccc(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)cc1C#N ZINC000087823880 630684283 /nfs/dbraw/zinc/68/42/83/630684283.db2.gz ZGPWMCCLJZDCST-OAHLLOKOSA-N 2 1 287.407 2.387 20 30 CEEDMP COc1ccc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)cc1C#N ZINC000087823880 630684286 /nfs/dbraw/zinc/68/42/86/630684286.db2.gz ZGPWMCCLJZDCST-OAHLLOKOSA-N 2 1 287.407 2.387 20 30 CEEDMP CC[N@H+]1CCCC[C@@H]1CNC(=[NH2+])NC1CCCCCC1 ZINC000305749005 631118571 /nfs/dbraw/zinc/11/85/71/631118571.db2.gz WNJOZJJYUFHIOZ-OAHLLOKOSA-N 2 1 280.460 2.488 20 30 CEEDMP C#Cc1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000809619113 632113362 /nfs/dbraw/zinc/11/33/62/632113362.db2.gz PJWGEJRWEFLFBQ-IBGZPJMESA-N 2 1 298.430 2.401 20 30 CEEDMP C#CCOc1ccc(C[N@H+](CC)CCC[NH+](C)C)cc1 ZINC000809749296 632139694 /nfs/dbraw/zinc/13/96/94/632139694.db2.gz DXESWNGRESFZGA-UHFFFAOYSA-N 2 1 274.408 2.472 20 30 CEEDMP C#CCOc1ccc(C[N@@H+](CC)CCC[NH+](C)C)cc1 ZINC000809749296 632139696 /nfs/dbraw/zinc/13/96/96/632139696.db2.gz DXESWNGRESFZGA-UHFFFAOYSA-N 2 1 274.408 2.472 20 30 CEEDMP COc1ccc(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])cc1C#N ZINC000817914897 633774403 /nfs/dbraw/zinc/77/44/03/633774403.db2.gz BPZIOXRMFNXQQA-HUUCEWRRSA-N 2 1 273.380 2.316 20 30 CEEDMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902789315 634833946 /nfs/dbraw/zinc/83/39/46/634833946.db2.gz DUQXXRONQDJOHF-STQMWFEESA-N 2 1 283.379 2.445 20 30 CEEDMP C[C@H](C#N)OCC[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000801937817 634887585 /nfs/dbraw/zinc/88/75/85/634887585.db2.gz AKGKKTHSYQBTAO-RBSFLKMASA-N 2 1 279.428 2.158 20 30 CEEDMP Cc1cc(C#N)cc(C)c1C[N@@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000903461077 635125974 /nfs/dbraw/zinc/12/59/74/635125974.db2.gz OLMTWPWOQFICQP-HIFRSBDPSA-N 2 1 257.381 2.487 20 30 CEEDMP C=CCOc1ccccc1C[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000903965101 635398760 /nfs/dbraw/zinc/39/87/60/635398760.db2.gz UZHBWJJMWBMKHW-HIFRSBDPSA-N 2 1 260.381 2.197 20 30 CEEDMP C=CC[N@@H+]1CCC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@@H]1C ZINC000993542339 640654222 /nfs/dbraw/zinc/65/42/22/640654222.db2.gz ZKYYDWUZBIZMIQ-BBRMVZONSA-N 2 1 298.390 2.103 20 30 CEEDMP C=C(C[NH+](C)C)C(=O)NCCC[N@H+](CC)C1CCCCC1 ZINC000846368933 641283945 /nfs/dbraw/zinc/28/39/45/641283945.db2.gz KMGNUBSJCJLQLM-UHFFFAOYSA-N 2 1 295.471 2.265 20 30 CEEDMP C=C(C)C[NH2+]C1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000996687034 642127158 /nfs/dbraw/zinc/12/71/58/642127158.db2.gz FGBGZCHFHIHJAV-MRXNPFEDSA-N 2 1 293.455 2.018 20 30 CEEDMP C[C@@H]1CC[N@@H+](CC[NH+]=C(NCc2ccccc2)N(C)C)C1 ZINC000849004146 642221110 /nfs/dbraw/zinc/22/11/10/642221110.db2.gz BUVSVQDPVMOPNI-OAHLLOKOSA-N 2 1 288.439 2.036 20 30 CEEDMP C=C(C)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001001010827 642675935 /nfs/dbraw/zinc/67/59/35/642675935.db2.gz XJHVMKJMXHQAMT-HOTGVXAUSA-N 2 1 293.455 2.018 20 30 CEEDMP C#CCOCC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000851999069 643259847 /nfs/dbraw/zinc/25/98/47/643259847.db2.gz ZANVAKUWMLNWPL-UHFFFAOYSA-N 2 1 287.407 2.049 20 30 CEEDMP C#CCCCCC[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000878287764 651054079 /nfs/dbraw/zinc/05/40/79/651054079.db2.gz IOCQDGMVDLMRCO-YESZJQIVSA-N 2 1 278.440 2.364 20 30 CEEDMP CN(C)c1ccc(C#N)cc1C[NH2+]CC(C)(C)C[NH+](C)C ZINC000865398084 647273061 /nfs/dbraw/zinc/27/30/61/647273061.db2.gz QXLLCAJOACAKPG-UHFFFAOYSA-N 2 1 288.439 2.302 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCc2cc(OC)ccc21 ZINC000866362848 647755854 /nfs/dbraw/zinc/75/58/54/647755854.db2.gz HWFIYASELJPGFF-KRWDZBQOSA-N 2 1 272.392 2.227 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCc2cc(OC)ccc21 ZINC000866362848 647755858 /nfs/dbraw/zinc/75/58/58/647755858.db2.gz HWFIYASELJPGFF-KRWDZBQOSA-N 2 1 272.392 2.227 20 30 CEEDMP C#CCCCCC[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000878324330 651067703 /nfs/dbraw/zinc/06/77/03/651067703.db2.gz LDFFICHYIFAENZ-ROUUACIJSA-N 2 1 291.483 2.138 20 30 CEEDMP C[N@@H+]1CC[C@H]2C[NH+](CCCC3(C#N)CCOCC3)CC[C@H]21 ZINC000879581594 651327311 /nfs/dbraw/zinc/32/73/11/651327311.db2.gz MPYWTTNROPJFBY-JKSUJKDBSA-N 2 1 291.439 2.113 20 30 CEEDMP C[N@H+]1CC[C@H]2C[NH+](CCCC3(C#N)CCOCC3)CC[C@H]21 ZINC000879581594 651327314 /nfs/dbraw/zinc/32/73/14/651327314.db2.gz MPYWTTNROPJFBY-JKSUJKDBSA-N 2 1 291.439 2.113 20 30 CEEDMP C[NH+]1CC[C@H]2C[N@H+](CCCC3(C#N)CCOCC3)CC[C@H]21 ZINC000879581594 651327316 /nfs/dbraw/zinc/32/73/16/651327316.db2.gz MPYWTTNROPJFBY-JKSUJKDBSA-N 2 1 291.439 2.113 20 30 CEEDMP C[NH+]1CC[C@H]2C[N@@H+](CCCC3(C#N)CCOCC3)CC[C@H]21 ZINC000879581594 651327318 /nfs/dbraw/zinc/32/73/18/651327318.db2.gz MPYWTTNROPJFBY-JKSUJKDBSA-N 2 1 291.439 2.113 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(OCC)c(F)c1 ZINC000883130994 652372111 /nfs/dbraw/zinc/37/21/11/652372111.db2.gz ADYXREGDMDCQMO-UHFFFAOYSA-N 2 1 278.371 2.269 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+]C/C=C/c1ccc(F)cc1 ZINC000883131044 652372032 /nfs/dbraw/zinc/37/20/32/652372032.db2.gz DCWAPOIROAYUHZ-GQCTYLIASA-N 2 1 260.356 2.384 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+]C/C=C/c1ccc(F)cc1 ZINC000883131044 652372034 /nfs/dbraw/zinc/37/20/34/652372034.db2.gz DCWAPOIROAYUHZ-GQCTYLIASA-N 2 1 260.356 2.384 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(OCC)c(F)c1 ZINC000883130994 652372110 /nfs/dbraw/zinc/37/21/10/652372110.db2.gz ADYXREGDMDCQMO-UHFFFAOYSA-N 2 1 278.371 2.269 20 30 CEEDMP C#CCCOc1ccc(C[NH2+]CCC[N@@H+](C)CC#C)cc1 ZINC000883131489 652373084 /nfs/dbraw/zinc/37/30/84/652373084.db2.gz DVLMZIQIYUMEDE-UHFFFAOYSA-N 2 1 284.403 2.133 20 30 CEEDMP C#CCCOc1ccc(C[NH2+]CCC[N@H+](C)CC#C)cc1 ZINC000883131489 652373085 /nfs/dbraw/zinc/37/30/85/652373085.db2.gz DVLMZIQIYUMEDE-UHFFFAOYSA-N 2 1 284.403 2.133 20 30 CEEDMP C=C(C)C[NH2+][C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)C(C)C ZINC001271901584 806135315 /nfs/dbraw/zinc/13/53/15/806135315.db2.gz OLQMONJZHHAIEH-HNNXBMFYSA-N 2 1 297.487 2.271 20 30 CEEDMP C=C(C)CC[N@H+](C)[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001282435023 802423636 /nfs/dbraw/zinc/42/36/36/802423636.db2.gz VQQZYLNAPOQSBT-OAHLLOKOSA-N 2 1 295.471 2.264 20 30 CEEDMP C=C(C)CC[N@@H+]1CCC[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001266758266 802883204 /nfs/dbraw/zinc/88/32/04/802883204.db2.gz PQCVPWWXAIQAGO-MRXNPFEDSA-N 2 1 295.471 2.123 20 30 CEEDMP Cc1ccc(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)cc1C#N ZINC000723899519 802966362 /nfs/dbraw/zinc/96/63/62/802966362.db2.gz CNGPFPUWKWIRHT-UKRRQHHQSA-N 2 1 257.381 2.283 20 30 CEEDMP C=C(C)CC[NH2+]CC1(CCNC(=O)CC[N@H+](C)CC)CC1 ZINC001167639563 803228275 /nfs/dbraw/zinc/22/82/75/803228275.db2.gz BTFMTHICZUCRFJ-UHFFFAOYSA-N 2 1 295.471 2.171 20 30 CEEDMP C=C(C)C[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2C)CCCC1 ZINC001268034876 804162195 /nfs/dbraw/zinc/16/21/95/804162195.db2.gz QTCMLEFFIIKNGJ-HNNXBMFYSA-N 2 1 293.455 2.065 20 30 CEEDMP C=CCC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001268748095 804957461 /nfs/dbraw/zinc/95/74/61/804957461.db2.gz DJUAYIGYFINBBQ-CVEARBPZSA-N 2 1 295.471 2.262 20 30 CEEDMP C=CCC[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001268748095 804957464 /nfs/dbraw/zinc/95/74/64/804957464.db2.gz DJUAYIGYFINBBQ-CVEARBPZSA-N 2 1 295.471 2.262 20 30 CEEDMP C=CCC[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001268748095 804957467 /nfs/dbraw/zinc/95/74/67/804957467.db2.gz DJUAYIGYFINBBQ-CVEARBPZSA-N 2 1 295.471 2.262 20 30 CEEDMP C=CCCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001269129536 805058313 /nfs/dbraw/zinc/05/83/13/805058313.db2.gz MWVSBXKVYPIBHM-CVEARBPZSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CCCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001269129536 805058322 /nfs/dbraw/zinc/05/83/22/805058322.db2.gz MWVSBXKVYPIBHM-CVEARBPZSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001269129536 805058331 /nfs/dbraw/zinc/05/83/31/805058331.db2.gz MWVSBXKVYPIBHM-CVEARBPZSA-N 2 1 293.455 2.016 20 30 CEEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)[C@H]1C ZINC001088857731 807219342 /nfs/dbraw/zinc/21/93/42/807219342.db2.gz BSQNMYYKUVDGGW-XHSDSOJGSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CCc1cccc(C[N@H+]2C[C@H]3CC[C@]3([NH3+])C2)c1O ZINC001235982362 807905000 /nfs/dbraw/zinc/90/50/00/807905000.db2.gz VBHXLGXZMPGZQW-ZBFHGGJFSA-N 2 1 258.365 2.044 20 30 CEEDMP C=CCc1cccc(C[N@@H+]2C[C@H]3CC[C@]3([NH3+])C2)c1O ZINC001235982362 807905004 /nfs/dbraw/zinc/90/50/04/807905004.db2.gz VBHXLGXZMPGZQW-ZBFHGGJFSA-N 2 1 258.365 2.044 20 30 CEEDMP C=CCCC[NH2+]CCNC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001127679091 808188021 /nfs/dbraw/zinc/18/80/21/808188021.db2.gz HRTIWGPLPLDOIO-AWEZNQCLSA-N 2 1 292.427 2.069 20 30 CEEDMP C=CCCCCCC[N@@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001205209335 808552251 /nfs/dbraw/zinc/55/22/51/808552251.db2.gz ITQFSWXAKPNSKP-HNNXBMFYSA-N 2 1 254.418 2.299 20 30 CEEDMP N#Cc1cccc(Cl)c1C[NH+]1CCC(C[NH3+])CC1 ZINC001205047156 809075791 /nfs/dbraw/zinc/07/57/91/809075791.db2.gz PQVWPDHPXMEJNJ-UHFFFAOYSA-N 2 1 263.772 2.382 20 30 CEEDMP C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001033273199 809255698 /nfs/dbraw/zinc/25/56/98/809255698.db2.gz RTTJMUNBODKKNG-MRXNPFEDSA-N 2 1 298.390 2.057 20 30 CEEDMP C[C@H](CCCC#N)[N@@H+](C1COC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172488599 815451022 /nfs/dbraw/zinc/45/10/22/815451022.db2.gz VASDYIGCRIQLEL-MGPQQGTHSA-N 2 1 265.401 2.039 20 30 CEEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)[C@H](C)C1 ZINC001044630713 811516837 /nfs/dbraw/zinc/51/68/37/811516837.db2.gz YHFALZOKJZGSCC-HUUCEWRRSA-N 2 1 293.455 2.016 20 30 CEEDMP C=C(C)CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001169809114 811675219 /nfs/dbraw/zinc/67/52/19/811675219.db2.gz FHECLTBYHATUET-HZPDHXFCSA-N 2 1 295.471 2.311 20 30 CEEDMP C=CCC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001046314581 811733524 /nfs/dbraw/zinc/73/35/24/811733524.db2.gz DKNZPFBTFTXVMM-NVXWUHKLSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001046314581 811733527 /nfs/dbraw/zinc/73/35/27/811733527.db2.gz DKNZPFBTFTXVMM-NVXWUHKLSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CCCC[N@@H+]1C[C@H](NC(=O)CCC[NH+](C)C)CC[C@H]1C ZINC001132248826 812809810 /nfs/dbraw/zinc/80/98/10/812809810.db2.gz JHSPHEADZBRJFU-HZPDHXFCSA-N 2 1 295.471 2.264 20 30 CEEDMP C[N@@H+]1CC[C@H](NC(=[NH2+])c2ccc(C(F)(F)F)cc2)C1 ZINC001255413109 813087205 /nfs/dbraw/zinc/08/72/05/813087205.db2.gz TZHZHCXEXFOEFB-NSHDSACASA-N 2 1 271.286 2.115 20 30 CEEDMP C[N@H+]1CC[C@H](NC(=[NH2+])c2ccc(C(F)(F)F)cc2)C1 ZINC001255413109 813087212 /nfs/dbraw/zinc/08/72/12/813087212.db2.gz TZHZHCXEXFOEFB-NSHDSACASA-N 2 1 271.286 2.115 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)CCc1ccc(O)cc1 ZINC000392776377 813307085 /nfs/dbraw/zinc/30/70/85/813307085.db2.gz DDXBVGUDTOJPQO-OAHLLOKOSA-N 2 1 274.408 2.258 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)CCc1ccc(O)cc1 ZINC000392776377 813307094 /nfs/dbraw/zinc/30/70/94/813307094.db2.gz DDXBVGUDTOJPQO-OAHLLOKOSA-N 2 1 274.408 2.258 20 30 CEEDMP C=CCC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001135475472 813442654 /nfs/dbraw/zinc/44/26/54/813442654.db2.gz AVZICTCMEZYCTM-CABCVRRESA-N 2 1 295.471 2.167 20 30 CEEDMP C=CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[C@@H]1C ZINC001071738092 813473730 /nfs/dbraw/zinc/47/37/30/813473730.db2.gz AEPQKQVFZRBFMT-GJZGRUSLSA-N 2 1 293.455 2.016 20 30 CEEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)CC[C@@H]1C ZINC001072080912 813540512 /nfs/dbraw/zinc/54/05/12/813540512.db2.gz DIUPFCVSKQRMEW-HOTGVXAUSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CC[N@@H+]1CCC[C@H]1c1ccc(N[C@@H]([NH3+])CCC[NH3+])cc1 ZINC001170907115 813632648 /nfs/dbraw/zinc/63/26/48/813632648.db2.gz ZRUDWKFNIKDCCH-DLBZAZTESA-N 3 1 288.439 2.445 20 30 CEEDMP C[C@H](Cc1cccc(C#N)c1)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC001171181085 814067778 /nfs/dbraw/zinc/06/77/78/814067778.db2.gz HBDKNSPARFPHGY-PBHICJAKSA-N 2 1 271.408 2.421 20 30 CEEDMP C#Cc1ccc(C[NH+]2C[C@H]3C[NH+](CCC)C[C@@H]3C2)cc1 ZINC001144578756 814115413 /nfs/dbraw/zinc/11/54/13/814115413.db2.gz NEBGDRQSVUHJNU-QZTJIDSGSA-N 2 1 268.404 2.442 20 30 CEEDMP CC[N@@H+]1C[C@@H]2C[NH+]([C@@H](C)Cc3cccc(C#N)c3)C[C@@H]2C1 ZINC001171232614 814203170 /nfs/dbraw/zinc/20/31/70/814203170.db2.gz UNMZZAYNEXIDBA-JCGIZDLHSA-N 2 1 283.419 2.373 20 30 CEEDMP CC[NH+]1C[C@@H]2C[N@H+]([C@@H](C)Cc3cccc(C#N)c3)C[C@@H]2C1 ZINC001171232614 814203176 /nfs/dbraw/zinc/20/31/76/814203176.db2.gz UNMZZAYNEXIDBA-JCGIZDLHSA-N 2 1 283.419 2.373 20 30 CEEDMP CC[NH+]1C[C@@H]2C[N@@H+]([C@@H](C)Cc3cccc(C#N)c3)C[C@@H]2C1 ZINC001171232614 814203184 /nfs/dbraw/zinc/20/31/84/814203184.db2.gz UNMZZAYNEXIDBA-JCGIZDLHSA-N 2 1 283.419 2.373 20 30 CEEDMP C=C(C)CC[NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC001147360019 814428512 /nfs/dbraw/zinc/42/85/12/814428512.db2.gz ZJQYBKGNKSWXNG-MRXNPFEDSA-N 2 1 295.471 2.313 20 30 CEEDMP C=CCOC1CCC([N@H+]2CCc3[nH+]ccn3CC2)CC1 ZINC001173326560 815676323 /nfs/dbraw/zinc/67/63/23/815676323.db2.gz KNBHYIUMKOYWIL-UHFFFAOYSA-N 2 1 275.396 2.255 20 30 CEEDMP C=CCOC1CCC([N@@H+]2CCc3[nH+]ccn3CC2)CC1 ZINC001173326560 815676328 /nfs/dbraw/zinc/67/63/28/815676328.db2.gz KNBHYIUMKOYWIL-UHFFFAOYSA-N 2 1 275.396 2.255 20 30 CEEDMP C=CCOC1CCC([NH2+]C2CC[NH+](CCOC)CC2)CC1 ZINC001173316303 815689723 /nfs/dbraw/zinc/68/97/23/815689723.db2.gz FKLGVUVPYCTVHU-UHFFFAOYSA-N 2 1 296.455 2.201 20 30 CEEDMP CC[NH+]1C[C@H]2C[NH+](Cc3c[nH]c4c3cccc4C#N)C[C@@H]2C1 ZINC001139707672 816092102 /nfs/dbraw/zinc/09/21/02/816092102.db2.gz OJSGUEMAGGAJBU-HOTGVXAUSA-N 2 1 294.402 2.423 20 30 CEEDMP C=CCC[NH2+]CCCC[C@H](C)NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001175255810 816162980 /nfs/dbraw/zinc/16/29/80/816162980.db2.gz HIGGFUCUWCIQDF-HOTGVXAUSA-N 2 1 295.471 2.311 20 30 CEEDMP CC[NH+]1C[C@@H]2C[NH+](Cc3c[nH]c4cc(C#N)ccc34)C[C@H]2C1 ZINC001142931585 816759139 /nfs/dbraw/zinc/75/91/39/816759139.db2.gz RZGWBENMUUXKSR-HZPDHXFCSA-N 2 1 294.402 2.423 20 30 CEEDMP C=C(C)C[NH2+]CCCCCCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001178826990 816799165 /nfs/dbraw/zinc/79/91/65/816799165.db2.gz CAQBVQPZMPINGN-INIZCTEOSA-N 2 1 295.471 2.313 20 30 CEEDMP C=C(C)C[NH2+]CCCCCCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001179587365 816880761 /nfs/dbraw/zinc/88/07/61/816880761.db2.gz ZTWSRTDGTITFLW-INIZCTEOSA-N 2 1 295.471 2.171 20 30 CEEDMP C=C(C)C[NH2+]CCCCCCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001179580924 816885294 /nfs/dbraw/zinc/88/52/94/816885294.db2.gz WJQBLYOHERUOKZ-INIZCTEOSA-N 2 1 295.471 2.313 20 30 CEEDMP CC[N@@H+](C)C[C@H]1CCN(Cc2ccc(F)c(C#N)c2)C1 ZINC000121594044 365591578 /nfs/dbraw/zinc/59/15/78/365591578.db2.gz YIEHLYAZRQAPHB-CQSZACIVSA-N 2 1 275.371 2.471 20 30 CEEDMP C=CCOc1ccc(C[N@H+](C)CC2CN(C)C2)cc1 ZINC000668537254 539192230 /nfs/dbraw/zinc/19/22/30/539192230.db2.gz CUIHLELQMHKZJO-UHFFFAOYSA-N 2 1 260.381 2.245 20 30 CEEDMP C=C(C)CNC(=[NH2+])NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000083052670 344074611 /nfs/dbraw/zinc/07/46/11/344074611.db2.gz GSUPFBKCYMRKIR-OAHLLOKOSA-N 2 1 288.439 2.377 20 30 CEEDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C[C@@H](C)CCC#N)C1 ZINC000602480745 347052959 /nfs/dbraw/zinc/05/29/59/347052959.db2.gz XUEMZXLIYPKUMI-JKSUJKDBSA-N 2 1 281.444 2.359 20 30 CEEDMP COc1cc(CNC[C@H]2CC[N@H+](C(C)C)C2)ccc1C#N ZINC000234922537 344588136 /nfs/dbraw/zinc/58/81/36/344588136.db2.gz WDHHBNOKARMHBL-OAHLLOKOSA-N 2 1 287.407 2.387 20 30 CEEDMP COc1cc(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)ccc1C#N ZINC000234922537 344588138 /nfs/dbraw/zinc/58/81/38/344588138.db2.gz WDHHBNOKARMHBL-OAHLLOKOSA-N 2 1 287.407 2.387 20 30 CEEDMP COc1cc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)ccc1C#N ZINC000234922537 344588139 /nfs/dbraw/zinc/58/81/39/344588139.db2.gz WDHHBNOKARMHBL-OAHLLOKOSA-N 2 1 287.407 2.387 20 30 CEEDMP Cc1cc(C#N)ccc1CN1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000312736627 344739664 /nfs/dbraw/zinc/73/96/64/344739664.db2.gz UJOAWKNNUFGRKV-QGZVFWFLSA-N 2 1 269.392 2.394 20 30 CEEDMP Cc1cc(C#N)ccc1C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000312736627 344739666 /nfs/dbraw/zinc/73/96/66/344739666.db2.gz UJOAWKNNUFGRKV-QGZVFWFLSA-N 2 1 269.392 2.394 20 30 CEEDMP Cc1cc(C#N)ccc1C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000312736627 344739674 /nfs/dbraw/zinc/73/96/74/344739674.db2.gz UJOAWKNNUFGRKV-QGZVFWFLSA-N 2 1 269.392 2.394 20 30 CEEDMP CCC[N@H+](CC)CC[NH2+][C@@H](C)CC1(C#N)CCOCC1 ZINC000602565560 347080453 /nfs/dbraw/zinc/08/04/53/347080453.db2.gz SKONUJHRVKEZEE-HNNXBMFYSA-N 2 1 281.444 2.407 20 30 CEEDMP CCC[N@@H+](CC)CC[NH2+][C@@H](C)CC1(C#N)CCOCC1 ZINC000602565560 347080455 /nfs/dbraw/zinc/08/04/55/347080455.db2.gz SKONUJHRVKEZEE-HNNXBMFYSA-N 2 1 281.444 2.407 20 30 CEEDMP C[C@@H]1C[C@H](C[N@H+]2Cc3cccc(C#N)c3C2)CC[NH2+]1 ZINC000593324142 345466574 /nfs/dbraw/zinc/46/65/74/345466574.db2.gz YNLRBQSKIRYVJG-CHWSQXEVSA-N 2 1 255.365 2.262 20 30 CEEDMP C[C@@]1(C#N)CC[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000595905225 345910661 /nfs/dbraw/zinc/91/06/61/345910661.db2.gz QUZGKNAZCQZBMT-INIZCTEOSA-N 2 1 255.365 2.068 20 30 CEEDMP C[C@@]1(C#N)CC[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000595905225 345910663 /nfs/dbraw/zinc/91/06/63/345910663.db2.gz QUZGKNAZCQZBMT-INIZCTEOSA-N 2 1 255.365 2.068 20 30 CEEDMP N#Cc1ccccc1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000598680514 346400292 /nfs/dbraw/zinc/40/02/92/346400292.db2.gz ZHZDXJMTJFQJRD-DOTOQJQBSA-N 2 1 269.392 2.380 20 30 CEEDMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)cc1C#N ZINC000599292945 346492528 /nfs/dbraw/zinc/49/25/28/346492528.db2.gz LMPACMDTAARNIA-OAHLLOKOSA-N 2 1 257.381 2.250 20 30 CEEDMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)cc1C#N ZINC000599292945 346492530 /nfs/dbraw/zinc/49/25/30/346492530.db2.gz LMPACMDTAARNIA-OAHLLOKOSA-N 2 1 257.381 2.250 20 30 CEEDMP C[C@@H](CCC#N)C[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000602657898 347127366 /nfs/dbraw/zinc/12/73/66/347127366.db2.gz TZPUHUYHRVYZCC-RDJZCZTQSA-N 2 1 292.471 2.027 20 30 CEEDMP CCC1([NH+](C)C)CC[NH+](C[C@H](O)CC(C)(C)C#N)CC1 ZINC000602966809 347259428 /nfs/dbraw/zinc/25/94/28/347259428.db2.gz RMUNKFXEAKOYPM-CQSZACIVSA-N 2 1 281.444 2.093 20 30 CEEDMP CC(C)[NH+]1CCN(CCC[N@@H+](C)[C@@H]2CCC[C@H]2C#N)CC1 ZINC000602981016 347263963 /nfs/dbraw/zinc/26/39/63/347263963.db2.gz YQSRXFBGXJMZOE-DLBZAZTESA-N 2 1 292.471 2.027 20 30 CEEDMP CN(CC[C@H]1CCCC[N@H+]1C)Cc1ccnc(C#N)c1 ZINC000610994038 347729347 /nfs/dbraw/zinc/72/93/47/347729347.db2.gz RUZDDVQCYUXILI-MRXNPFEDSA-N 2 1 272.396 2.259 20 30 CEEDMP C[NH+](C)C[C@H]1CC[N@@H+](CCCOc2cccc(C#N)c2)C1 ZINC000156391053 188259135 /nfs/dbraw/zinc/25/91/35/188259135.db2.gz NZHYPXCEEFLYBR-MRXNPFEDSA-N 2 1 287.407 2.211 20 30 CEEDMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000334672865 364162332 /nfs/dbraw/zinc/16/23/32/364162332.db2.gz YIIYGNVOYDZWJE-XHDPSFHLSA-N 2 1 261.344 2.127 20 30 CEEDMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000334672865 364162336 /nfs/dbraw/zinc/16/23/36/364162336.db2.gz YIIYGNVOYDZWJE-XHDPSFHLSA-N 2 1 261.344 2.127 20 30 CEEDMP C[N@@H+](CCOc1ccccc1C#N)C[C@H]1CCC[NH+](C)C1 ZINC000118842480 365182973 /nfs/dbraw/zinc/18/29/73/365182973.db2.gz RCFBPXSIKPKOQI-HNNXBMFYSA-N 2 1 287.407 2.211 20 30 CEEDMP C[NH+](CCOc1ccccc1C#N)C[C@H]1CCC[N@H+](C)C1 ZINC000118842480 365182979 /nfs/dbraw/zinc/18/29/79/365182979.db2.gz RCFBPXSIKPKOQI-HNNXBMFYSA-N 2 1 287.407 2.211 20 30 CEEDMP C[NH+](CCOc1ccccc1C#N)C[C@H]1CCC[N@@H+](C)C1 ZINC000118842480 365182984 /nfs/dbraw/zinc/18/29/84/365182984.db2.gz RCFBPXSIKPKOQI-HNNXBMFYSA-N 2 1 287.407 2.211 20 30 CEEDMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=[NH2+])Nc2ccccn2)C1 ZINC000170910368 367447510 /nfs/dbraw/zinc/44/75/10/367447510.db2.gz TUOGSMGWNUJSAH-ZDUSSCGKSA-N 2 1 289.427 2.319 20 30 CEEDMP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]Cc2cnc3ccc(C#N)cn23)C1 ZINC000175009064 368088854 /nfs/dbraw/zinc/08/88/54/368088854.db2.gz QPPCCYCBRZTBSE-CABCVRRESA-N 2 1 297.406 2.168 20 30 CEEDMP C=CCC[C@H](O)C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000351623448 369645624 /nfs/dbraw/zinc/64/56/24/369645624.db2.gz ZFAYQXPSJHGGFD-INIZCTEOSA-N 2 1 266.429 2.264 20 30 CEEDMP CCCCNC(=[NH2+])NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000195291816 370122429 /nfs/dbraw/zinc/12/24/29/370122429.db2.gz VGAKXHSRGCIWLV-MRXNPFEDSA-N 2 1 288.439 2.213 20 30 CEEDMP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cccc(C#N)c3)CC[C@H]21 ZINC000227336070 370367384 /nfs/dbraw/zinc/36/73/84/370367384.db2.gz QJKWNOFIAGSDKN-DLBZAZTESA-N 2 1 269.392 2.474 20 30 CEEDMP C[N@H+]1CCC[C@H]2C[NH+](Cc3cccc(C#N)c3)CC[C@H]21 ZINC000227336070 370367390 /nfs/dbraw/zinc/36/73/90/370367390.db2.gz QJKWNOFIAGSDKN-DLBZAZTESA-N 2 1 269.392 2.474 20 30 CEEDMP C[NH+]1CCC[C@H]2C[N@H+](Cc3cccc(C#N)c3)CC[C@H]21 ZINC000227336070 370367397 /nfs/dbraw/zinc/36/73/97/370367397.db2.gz QJKWNOFIAGSDKN-DLBZAZTESA-N 2 1 269.392 2.474 20 30 CEEDMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cccc(C#N)c3)CC[C@H]21 ZINC000227336070 370367401 /nfs/dbraw/zinc/36/74/01/370367401.db2.gz QJKWNOFIAGSDKN-DLBZAZTESA-N 2 1 269.392 2.474 20 30 CEEDMP C=CC[NH+]1CCC([NH2+]C[C@H](Cc2ccccc2)OC)CC1 ZINC000638524675 370590622 /nfs/dbraw/zinc/59/06/22/370590622.db2.gz QTDVQYVVHUUOQP-SFHVURJKSA-N 2 1 288.435 2.484 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](CCC)OC)CC1 ZINC000638523756 370590837 /nfs/dbraw/zinc/59/08/37/370590837.db2.gz GQOSBCGXKHZQGM-HNNXBMFYSA-N 2 1 254.418 2.432 20 30 CEEDMP C#CC[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000248390216 371184427 /nfs/dbraw/zinc/18/44/27/371184427.db2.gz BSLLDFFILZPGRY-QLPKVWCKSA-N 2 1 256.393 2.366 20 30 CEEDMP C[C@@H](CNC(=[NH2+])NC(C)(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000264119346 371974453 /nfs/dbraw/zinc/97/44/53/371974453.db2.gz UIOSTICPACFNQF-ZDUSSCGKSA-N 2 1 288.439 2.136 20 30 CEEDMP C[C@@H](CNC(=[NH2+])NC(C)(C)C)[N@H+]1CCc2ccccc2C1 ZINC000264119346 371974459 /nfs/dbraw/zinc/97/44/59/371974459.db2.gz UIOSTICPACFNQF-ZDUSSCGKSA-N 2 1 288.439 2.136 20 30 CEEDMP C=CC[C@@H](CC)[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000644638948 373577370 /nfs/dbraw/zinc/57/73/70/373577370.db2.gz LNFUDHNACXQQGM-SJORKVTESA-N 2 1 276.424 2.424 20 30 CEEDMP C=CC[C@@H](CC)[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000644638948 373577379 /nfs/dbraw/zinc/57/73/79/373577379.db2.gz LNFUDHNACXQQGM-SJORKVTESA-N 2 1 276.424 2.424 20 30 CEEDMP C[NH+](C)[C@@H]1CCC[N@H+](CCOc2ccc(C#N)cc2)CC1 ZINC000277272522 374459297 /nfs/dbraw/zinc/45/92/97/374459297.db2.gz RTIBEJVCFYRMEQ-MRXNPFEDSA-N 2 1 287.407 2.353 20 30 CEEDMP C[NH+](C)[C@@H]1CCC[N@@H+](CCOc2ccc(C#N)cc2)CC1 ZINC000277272522 374459314 /nfs/dbraw/zinc/45/93/14/374459314.db2.gz RTIBEJVCFYRMEQ-MRXNPFEDSA-N 2 1 287.407 2.353 20 30 CEEDMP CC[NH+]1CCC(N2CCC[N@H+]([C@@H](C)CCC#N)CC2)CC1 ZINC000420972033 376751015 /nfs/dbraw/zinc/75/10/15/376751015.db2.gz AKSOLWOMAPGWHU-INIZCTEOSA-N 2 1 292.471 2.171 20 30 CEEDMP COc1ccc(CN2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1C#N ZINC000292983135 377380792 /nfs/dbraw/zinc/38/07/92/377380792.db2.gz NHCCEGJJIGEHLA-GOSISDBHSA-N 2 1 299.418 2.485 20 30 CEEDMP C=CCC[C@@H](C)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432415087 377758632 /nfs/dbraw/zinc/75/86/32/377758632.db2.gz MRHKIVHGXHWQTE-HUUCEWRRSA-N 2 1 254.418 2.432 20 30 CEEDMP C=CCC[C@@H](C)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432415087 377758636 /nfs/dbraw/zinc/75/86/36/377758636.db2.gz MRHKIVHGXHWQTE-HUUCEWRRSA-N 2 1 254.418 2.432 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1cc(C)ccc1O ZINC000295131064 378043563 /nfs/dbraw/zinc/04/35/63/378043563.db2.gz ZVEINSBWLIOLNT-CQSZACIVSA-N 2 1 260.381 2.306 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1cc(C)ccc1O ZINC000295131064 378043569 /nfs/dbraw/zinc/04/35/69/378043569.db2.gz ZVEINSBWLIOLNT-CQSZACIVSA-N 2 1 260.381 2.306 20 30 CEEDMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CC2(C#N)CCC2)C1 ZINC000450449428 378422560 /nfs/dbraw/zinc/42/25/60/378422560.db2.gz BZRFVBLHHFTEAU-OAHLLOKOSA-N 2 1 279.428 2.113 20 30 CEEDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CC2(C#N)CCC2)C1 ZINC000450449428 378422569 /nfs/dbraw/zinc/42/25/69/378422569.db2.gz BZRFVBLHHFTEAU-OAHLLOKOSA-N 2 1 279.428 2.113 20 30 CEEDMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(C#N)c(OC)c2)C1 ZINC000281717717 195349061 /nfs/dbraw/zinc/34/90/61/195349061.db2.gz OZWZLOZSGOMMLA-HNNXBMFYSA-N 2 1 287.407 2.388 20 30 CEEDMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(C#N)c(OC)c2)C1 ZINC000281717717 195349063 /nfs/dbraw/zinc/34/90/63/195349063.db2.gz OZWZLOZSGOMMLA-HNNXBMFYSA-N 2 1 287.407 2.388 20 30 CEEDMP CCC[NH+]1CCC([N@H+](C)Cc2cc(C#N)n(C)c2)CC1 ZINC000191262182 130211242 /nfs/dbraw/zinc/21/12/42/130211242.db2.gz GOFPYJFJECATQQ-UHFFFAOYSA-N 2 1 274.412 2.203 20 30 CEEDMP CCC[NH+]1CCC([N@@H+](C)Cc2cc(C#N)n(C)c2)CC1 ZINC000191262182 130211244 /nfs/dbraw/zinc/21/12/44/130211244.db2.gz GOFPYJFJECATQQ-UHFFFAOYSA-N 2 1 274.412 2.203 20 30 CEEDMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]3O[C@@H](CC#N)C[C@H]32)C1 ZINC000362236449 394849653 /nfs/dbraw/zinc/84/96/53/394849653.db2.gz FQWXFVMUZRJOGV-HMDCTGQHSA-N 2 1 291.439 2.158 20 30 CEEDMP C=CCC[NH+]1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000338564294 394923451 /nfs/dbraw/zinc/92/34/51/394923451.db2.gz QCHMYMSHLPMLEX-HZPDHXFCSA-N 2 1 296.455 2.153 20 30 CEEDMP C=C[C@H](CO)[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000289895317 395089966 /nfs/dbraw/zinc/08/99/66/395089966.db2.gz SUXIASWCZQZOFT-BSDSXHPESA-N 2 1 286.419 2.034 20 30 CEEDMP Cc1cc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)ccc1C#N ZINC000487865406 395667471 /nfs/dbraw/zinc/66/74/71/395667471.db2.gz ZCRFBANFDSETJB-HNNXBMFYSA-N 2 1 257.381 2.250 20 30 CEEDMP Cc1cc(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)ccc1C#N ZINC000487865406 395667472 /nfs/dbraw/zinc/66/74/72/395667472.db2.gz ZCRFBANFDSETJB-HNNXBMFYSA-N 2 1 257.381 2.250 20 30 CEEDMP COCC[NH+]1CCC([NH2+][C@H](C)c2ccc(C#N)cc2)CC1 ZINC000173641961 165080324 /nfs/dbraw/zinc/08/03/24/165080324.db2.gz PZLGAHYHHVWXGJ-CQSZACIVSA-N 2 1 287.407 2.320 20 30 CEEDMP C=CCCn1cc(CNCCC[N@@H+]2CCCC[C@H]2C)nn1 ZINC000657293489 414835526 /nfs/dbraw/zinc/83/55/26/414835526.db2.gz OIHFTWBBMIGWEJ-OAHLLOKOSA-N 2 1 291.443 2.208 20 30 CEEDMP C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)C[N@H+](C)C(C)C ZINC000661116738 415103899 /nfs/dbraw/zinc/10/38/99/415103899.db2.gz ZRFNGPNJVLDCKP-OAGGEKHMSA-N 2 1 268.445 2.412 20 30 CEEDMP C=CC[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)C(C)(C)C ZINC000661756339 415445129 /nfs/dbraw/zinc/44/51/29/415445129.db2.gz KRTKZVGCGXXIOS-UHFFFAOYSA-N 2 1 295.471 2.262 20 30 CEEDMP C=CC[N@H+](Cc1cccs1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662249285 415709143 /nfs/dbraw/zinc/70/91/43/415709143.db2.gz SEILOUWWZRURKU-CYBMUJFWSA-N 2 1 278.421 2.257 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CO[C@@H](C3CC3)C2)CC1 ZINC000667837476 419824189 /nfs/dbraw/zinc/82/41/89/419824189.db2.gz TZAKNBFKSHYVPW-JKSUJKDBSA-N 2 1 264.413 2.184 20 30 CEEDMP C=CCc1cc(C[NH2+]CCC[NH2+]C2CC2)cc(OC)c1O ZINC000415066005 263259773 /nfs/dbraw/zinc/25/97/73/263259773.db2.gz IHTWYSCPZLFHCS-UHFFFAOYSA-N 2 1 290.407 2.361 20 30 CEEDMP C=CCC[C@H](O)C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000531867917 328052639 /nfs/dbraw/zinc/05/26/39/328052639.db2.gz XRRIRVPCVXDJBG-INIZCTEOSA-N 2 1 268.445 2.366 20 30 CEEDMP C=C(C)C[NH+]1CCC(N[C@@H]2CC[NH2+]CC[C@@H]2C)CC1 ZINC000422974518 330164713 /nfs/dbraw/zinc/16/47/13/330164713.db2.gz FAQAZVMXINGRRO-GOEBONIOSA-N 2 1 265.445 2.005 20 30 CEEDMP CC#CC[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000459477225 331283760 /nfs/dbraw/zinc/28/37/60/331283760.db2.gz GWZUAUREFRYUKZ-UHFFFAOYSA-N 2 1 265.360 2.380 20 30 CEEDMP C=CCOc1ccc(C[N@H+](C)C2CC[NH2+]CC2)cc1 ZINC000347097320 526861045 /nfs/dbraw/zinc/86/10/45/526861045.db2.gz JIDLZERQAXNYHU-UHFFFAOYSA-N 2 1 260.381 2.435 20 30 CEEDMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cnc3ccc(C#N)cn23)C1 ZINC000123428237 528255432 /nfs/dbraw/zinc/25/54/32/528255432.db2.gz UGFXFTIOMLYZAI-HNNXBMFYSA-N 2 1 297.406 2.027 20 30 CEEDMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cnc3ccc(C#N)cn23)C1 ZINC000123428237 528255441 /nfs/dbraw/zinc/25/54/41/528255441.db2.gz UGFXFTIOMLYZAI-HNNXBMFYSA-N 2 1 297.406 2.027 20 30 CEEDMP C[C@H]1CCCC[C@H]1[NH+]1CCC(=NN2CC[NH+](C)CC2)CC1 ZINC000733902345 574690069 /nfs/dbraw/zinc/69/00/69/574690069.db2.gz QNFFUUPWVWVYOA-DOTOQJQBSA-N 2 1 292.471 2.264 20 30 CEEDMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(OC)c(C#N)c2)[C@@H](C)C1 ZINC000742207419 574841696 /nfs/dbraw/zinc/84/16/96/574841696.db2.gz XYDYIBXLYPQMJL-BBRMVZONSA-N 2 1 287.407 2.387 20 30 CEEDMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(OC)c(C#N)c2)[C@@H](C)C1 ZINC000742207419 574841698 /nfs/dbraw/zinc/84/16/98/574841698.db2.gz XYDYIBXLYPQMJL-BBRMVZONSA-N 2 1 287.407 2.387 20 30 CEEDMP C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001024366099 625533818 /nfs/dbraw/zinc/53/38/18/625533818.db2.gz NNOKAPXZEZRMMI-JKSUJKDBSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001024366099 625533826 /nfs/dbraw/zinc/53/38/26/625533826.db2.gz NNOKAPXZEZRMMI-JKSUJKDBSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001024513535 625591845 /nfs/dbraw/zinc/59/18/45/625591845.db2.gz QRMQECVHFDVDFP-HZPDHXFCSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001024513535 625591855 /nfs/dbraw/zinc/59/18/55/625591855.db2.gz QRMQECVHFDVDFP-HZPDHXFCSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001024513535 625591863 /nfs/dbraw/zinc/59/18/63/625591863.db2.gz QRMQECVHFDVDFP-HZPDHXFCSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001024513535 625591872 /nfs/dbraw/zinc/59/18/72/625591872.db2.gz QRMQECVHFDVDFP-HZPDHXFCSA-N 2 1 293.455 2.018 20 30 CEEDMP CC(C)C[N@H+]1CCC[C@H](CNC(=[NH2+])N2CCCCC2)C1 ZINC000157398582 624976066 /nfs/dbraw/zinc/97/60/66/624976066.db2.gz UMQNHZXVFIDLGY-OAHLLOKOSA-N 2 1 280.460 2.155 20 30 CEEDMP C#CCCCCCC[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000877499066 629170477 /nfs/dbraw/zinc/17/04/77/629170477.db2.gz LEHMTJOLVHDBOE-UHFFFAOYSA-N 2 1 279.472 2.186 20 30 CEEDMP CC[NH+]=C(NC[C@@H]1CC[N@@H+](CC)C1)N1CC[C@](C)(CC)C1 ZINC000261800648 629245801 /nfs/dbraw/zinc/24/58/01/629245801.db2.gz RLLYUSAHTSTUNX-RDJZCZTQSA-N 2 1 294.487 2.416 20 30 CEEDMP CCCCCCNC(=[NH2+])NCC[N@@H+](C)[C@H](C)CC ZINC000303987521 631096044 /nfs/dbraw/zinc/09/60/44/631096044.db2.gz VOPWPDVUDUPYAP-CYBMUJFWSA-N 2 1 256.438 2.201 20 30 CEEDMP C=CCc1cc(C[NH2+][C@H]2CCC[C@H]2[NH3+])cc(OC)c1OC ZINC000817908889 633767465 /nfs/dbraw/zinc/76/74/65/633767465.db2.gz IOZGHCKDMCQOIU-CABCVRRESA-N 2 1 290.407 2.402 20 30 CEEDMP C#CCOc1ccc([C@H](C)[NH2+]C[C@@H]([NH3+])C2CC2)cc1 ZINC000817964519 633806194 /nfs/dbraw/zinc/80/61/94/633806194.db2.gz BGARXVBXUWQYHU-BLLLJJGKSA-N 2 1 258.365 2.087 20 30 CEEDMP C=CC[C@@H]1CCC[N@@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903767332 635259608 /nfs/dbraw/zinc/25/96/08/635259608.db2.gz VPZWROGKVDTRRW-OWCLPIDISA-N 2 1 264.413 2.043 20 30 CEEDMP N#Cc1cccc2c1C[N@@H+](CC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC000903932092 635358671 /nfs/dbraw/zinc/35/86/71/635358671.db2.gz MCYUQZFENRRCPL-SFESLNEESA-N 2 1 267.376 2.404 20 30 CEEDMP Cc1cc(N(C)C)ccc1C=[NH+]NCC[NH+]1CCCCC1 ZINC000841619360 639797648 /nfs/dbraw/zinc/79/76/48/639797648.db2.gz MICLMWCUDHAARH-UHFFFAOYSA-N 2 1 288.439 2.470 20 30 CEEDMP C=CC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H]1C ZINC000993669350 640665775 /nfs/dbraw/zinc/66/57/75/640665775.db2.gz AQFQJOSYGKXRCH-GJZGRUSLSA-N 2 1 293.455 2.016 20 30 CEEDMP C#C[C@H]1CCC[N@@H+](CCC[NH+]2CCC[C@@H](C#C)C2)C1 ZINC000847020647 641525730 /nfs/dbraw/zinc/52/57/30/641525730.db2.gz CWVYLBSNQXUIES-CALCHBBNSA-N 2 1 258.409 2.067 20 30 CEEDMP C#C[C@H]1CCC[NH+](CCC[N@@H+]2CCC[C@@H](C#C)C2)C1 ZINC000847020647 641525738 /nfs/dbraw/zinc/52/57/38/641525738.db2.gz CWVYLBSNQXUIES-CALCHBBNSA-N 2 1 258.409 2.067 20 30 CEEDMP C#C[C@H]1CCC[NH+](CCC[N@H+]2CCC[C@@H](C#C)C2)C1 ZINC000847020647 641525744 /nfs/dbraw/zinc/52/57/44/641525744.db2.gz CWVYLBSNQXUIES-CALCHBBNSA-N 2 1 258.409 2.067 20 30 CEEDMP CCNC(NC[C@H]1CCC[N@H+]1C1CCCCC1)=[NH+]CC ZINC000849026052 642238992 /nfs/dbraw/zinc/23/89/92/642238992.db2.gz LBGQYFDOGVRQNH-OAHLLOKOSA-N 2 1 280.460 2.359 20 30 CEEDMP C=CC[NH2+]C1CC(N(C)C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC000999505200 642492899 /nfs/dbraw/zinc/49/28/99/642492899.db2.gz IEPKAVNQOZQXNT-UYSNPLJNSA-N 2 1 293.455 2.014 20 30 CEEDMP C[C@H]1C[N@@H+](CCCNCc2csc(C#N)c2)CCCO1 ZINC000922063863 642861278 /nfs/dbraw/zinc/86/12/78/642861278.db2.gz KEAFMUGDPFXADE-ZDUSSCGKSA-N 2 1 293.436 2.210 20 30 CEEDMP N#Cc1ccc([C@H](O)C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000923364332 643679560 /nfs/dbraw/zinc/67/95/60/643679560.db2.gz MEXHCWDJRRGAOQ-RCCFBDPRSA-N 2 1 299.418 2.056 20 30 CEEDMP CC[C@@H]([NH2+][C@H]1Cc2ccc(C#N)cc2C1)[C@@H]1CCC[NH2+]1 ZINC000873277055 649622522 /nfs/dbraw/zinc/62/25/22/649622522.db2.gz ZLMZIXJLLCUTRY-BBWFWOEESA-N 2 1 269.392 2.146 20 30 CEEDMP C[NH+]1CCC2(CCC[N@@H+](CC3(CC#N)CC3)C2)CC1 ZINC000878549058 651126905 /nfs/dbraw/zinc/12/69/05/651126905.db2.gz DKOHEAIIPCJWTR-UHFFFAOYSA-N 2 1 261.413 2.488 20 30 CEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1(CC(C)C)CC1 ZINC000134035647 652759443 /nfs/dbraw/zinc/75/94/43/652759443.db2.gz VSDFDTGGLCMPPX-CQSZACIVSA-N 2 1 280.460 2.201 20 30 CEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC[C@H]2C)[C@H]1CC ZINC001087725788 805780390 /nfs/dbraw/zinc/78/03/90/805780390.db2.gz DBUSHPKQVPULTR-OWCLPIDISA-N 2 1 293.455 2.016 20 30 CEEDMP C=CCC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)[C@H]1CC ZINC001087725788 805780398 /nfs/dbraw/zinc/78/03/98/805780398.db2.gz DBUSHPKQVPULTR-OWCLPIDISA-N 2 1 293.455 2.016 20 30 CEEDMP C=CCC[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)[C@H]1CC ZINC001087725788 805780404 /nfs/dbraw/zinc/78/04/04/805780404.db2.gz DBUSHPKQVPULTR-OWCLPIDISA-N 2 1 293.455 2.016 20 30 CEEDMP C=C(C)CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001271311666 805911783 /nfs/dbraw/zinc/91/17/83/805911783.db2.gz QBTPMGAOQGTJQP-JKSUJKDBSA-N 2 1 295.471 2.025 20 30 CEEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)[C@H]1C ZINC001088605184 806504730 /nfs/dbraw/zinc/50/47/30/806504730.db2.gz KHRMKJPXQYRDKS-PMPSAXMXSA-N 2 1 293.455 2.016 20 30 CEEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2CCC)[C@H]1C ZINC001088605184 806504735 /nfs/dbraw/zinc/50/47/35/806504735.db2.gz KHRMKJPXQYRDKS-PMPSAXMXSA-N 2 1 293.455 2.016 20 30 CEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2CCC)[C@H]1C ZINC001088605184 806504742 /nfs/dbraw/zinc/50/47/42/806504742.db2.gz KHRMKJPXQYRDKS-PMPSAXMXSA-N 2 1 293.455 2.016 20 30 CEEDMP C=C(C)C[NH2+][C@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001266939111 803011286 /nfs/dbraw/zinc/01/12/86/803011286.db2.gz ABECRUIVVAIEBL-ZIAGYGMSSA-N 2 1 292.427 2.067 20 30 CEEDMP C=CCC[NH+]1CCC[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001267627997 803632008 /nfs/dbraw/zinc/63/20/08/803632008.db2.gz JZQMXLHZODIXAE-HOTGVXAUSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCC[N@H+]1CCC[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001267627997 803632010 /nfs/dbraw/zinc/63/20/10/803632010.db2.gz JZQMXLHZODIXAE-HOTGVXAUSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001267627997 803632013 /nfs/dbraw/zinc/63/20/13/803632013.db2.gz JZQMXLHZODIXAE-HOTGVXAUSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCC[NH+]1CCC[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001267627998 803632197 /nfs/dbraw/zinc/63/21/97/803632197.db2.gz JZQMXLHZODIXAE-JKSUJKDBSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCC[N@H+]1CCC[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001267627998 803632202 /nfs/dbraw/zinc/63/22/02/803632202.db2.gz JZQMXLHZODIXAE-JKSUJKDBSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001267627998 803632206 /nfs/dbraw/zinc/63/22/06/803632206.db2.gz JZQMXLHZODIXAE-JKSUJKDBSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001027971717 804372189 /nfs/dbraw/zinc/37/21/89/804372189.db2.gz KRJAODJHCFGKMG-CVEARBPZSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001027971717 804372198 /nfs/dbraw/zinc/37/21/98/804372198.db2.gz KRJAODJHCFGKMG-CVEARBPZSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001027971717 804372207 /nfs/dbraw/zinc/37/22/07/804372207.db2.gz KRJAODJHCFGKMG-CVEARBPZSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001027971717 804372215 /nfs/dbraw/zinc/37/22/15/804372215.db2.gz KRJAODJHCFGKMG-CVEARBPZSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)C[NH+]1CCC(CNC(=O)CC[N@H+](C)CCC)CC1 ZINC001225245642 804806161 /nfs/dbraw/zinc/80/61/61/804806161.db2.gz UCNRXFQZJPLXPW-UHFFFAOYSA-N 2 1 295.471 2.123 20 30 CEEDMP C=CCC[N@@H+]1CC[C@H]1CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001269308441 805121980 /nfs/dbraw/zinc/12/19/80/805121980.db2.gz CAAPZWGSLPZFNQ-CVEARBPZSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CC[NH2+]CCCC[C@@H](C)NC(=O)C(C)(C)[N@H+](C)CC ZINC001171586365 815192483 /nfs/dbraw/zinc/19/24/83/815192483.db2.gz MYUFMPVGEOWBFF-CQSZACIVSA-N 2 1 283.460 2.167 20 30 CEEDMP C=C(C)CC[N@H+]1CCCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001034527773 809624775 /nfs/dbraw/zinc/62/47/75/809624775.db2.gz HUIUXWDTQNYPIA-INIZCTEOSA-N 2 1 293.455 2.019 20 30 CEEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001015035046 810255195 /nfs/dbraw/zinc/25/51/95/810255195.db2.gz YESZVVKGVLOUNZ-CQSZACIVSA-N 2 1 298.390 2.023 20 30 CEEDMP C[C@H](Cc1ccc(C#N)cc1)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001172304580 815362844 /nfs/dbraw/zinc/36/28/44/815362844.db2.gz OFCYRNJVSQUMBG-OLMNPRSZSA-N 2 1 283.419 2.373 20 30 CEEDMP C[C@H](Cc1ccc(C#N)cc1)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001172304580 815362850 /nfs/dbraw/zinc/36/28/50/815362850.db2.gz OFCYRNJVSQUMBG-OLMNPRSZSA-N 2 1 283.419 2.373 20 30 CEEDMP C[C@H](Cc1ccc(C#N)cc1)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001172304580 815362856 /nfs/dbraw/zinc/36/28/56/815362856.db2.gz OFCYRNJVSQUMBG-OLMNPRSZSA-N 2 1 283.419 2.373 20 30 CEEDMP CC[N@@H+]1C[C@@H]2C[NH+]([C@H](C)Cc3ccc(C#N)cc3)C[C@@H]2C1 ZINC001172313056 815366910 /nfs/dbraw/zinc/36/69/10/815366910.db2.gz OHNDIOLUVQOKLZ-OLMNPRSZSA-N 2 1 283.419 2.373 20 30 CEEDMP C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001038461367 810843179 /nfs/dbraw/zinc/84/31/79/810843179.db2.gz FGAYPBFENMWQOU-OAHLLOKOSA-N 2 1 298.390 2.105 20 30 CEEDMP C#Cc1cccc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)c1 ZINC001206014721 811604041 /nfs/dbraw/zinc/60/40/41/811604041.db2.gz XYKOIRWGTLNBBR-WMLDXEAASA-N 2 1 256.393 2.475 20 30 CEEDMP C=CCCN1CCN(C(=O)C[N@H+](C)CCCCCC)CC1 ZINC001113438850 812240606 /nfs/dbraw/zinc/24/06/06/812240606.db2.gz LBLOBYIBOIQRDZ-UHFFFAOYSA-N 2 1 295.471 2.219 20 30 CEEDMP C=CCC[NH+]1CCN(C(=O)C[N@H+](C)CCCCCC)CC1 ZINC001113438850 812240617 /nfs/dbraw/zinc/24/06/17/812240617.db2.gz LBLOBYIBOIQRDZ-UHFFFAOYSA-N 2 1 295.471 2.219 20 30 CEEDMP Cc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)cc1C#N ZINC001206175701 815515460 /nfs/dbraw/zinc/51/54/60/815515460.db2.gz XGBJFYSZGDLXSO-GJZGRUSLSA-N 2 1 261.344 2.128 20 30 CEEDMP Cc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)cc1C#N ZINC001206175701 815515463 /nfs/dbraw/zinc/51/54/63/815515463.db2.gz XGBJFYSZGDLXSO-GJZGRUSLSA-N 2 1 261.344 2.128 20 30 CEEDMP C=CCC[NH+]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)CC[C@H]1C ZINC001132152424 812791341 /nfs/dbraw/zinc/79/13/41/812791341.db2.gz CDIFYGCOLJQGMZ-CABCVRRESA-N 2 1 295.471 2.262 20 30 CEEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)CC[C@H]1C ZINC001132152424 812791344 /nfs/dbraw/zinc/79/13/44/812791344.db2.gz CDIFYGCOLJQGMZ-CABCVRRESA-N 2 1 295.471 2.262 20 30 CEEDMP C=CCC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)CC[C@H]1C ZINC001132152424 812791348 /nfs/dbraw/zinc/79/13/48/812791348.db2.gz CDIFYGCOLJQGMZ-CABCVRRESA-N 2 1 295.471 2.262 20 30 CEEDMP C=CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001135475473 813442687 /nfs/dbraw/zinc/44/26/87/813442687.db2.gz AVZICTCMEZYCTM-GJZGRUSLSA-N 2 1 295.471 2.167 20 30 CEEDMP C=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001135583638 813469055 /nfs/dbraw/zinc/46/90/55/813469055.db2.gz BTOLXMPXLKTOMS-UONOGXRCSA-N 2 1 292.427 2.065 20 30 CEEDMP C=CCCC[NH2+][C@H](C)C[C@H](C)NC(=O)CC[N@H+](C)CC ZINC001135861230 813550981 /nfs/dbraw/zinc/55/09/81/813550981.db2.gz OHJZSWANLAHGOW-CABCVRRESA-N 2 1 283.460 2.167 20 30 CEEDMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)Cc1cccc(C#N)c1 ZINC001171179684 814059903 /nfs/dbraw/zinc/05/99/03/814059903.db2.gz WIKJIKWSXARJAZ-ZDUSSCGKSA-N 2 1 268.364 2.284 20 30 CEEDMP C[C@@H](Cc1cccc(C#N)c1)n1c[nH+]cc1CC[NH3+] ZINC001171176394 814060475 /nfs/dbraw/zinc/06/04/75/814060475.db2.gz RRSXGQSDVPTFHH-LBPRGKRZSA-N 2 1 254.337 2.060 20 30 CEEDMP C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCc2[nH+]ccn2CC1 ZINC001171227857 814196729 /nfs/dbraw/zinc/19/67/29/814196729.db2.gz BKZZNPVWDYTGQO-CQSZACIVSA-N 2 1 280.375 2.244 20 30 CEEDMP C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001171227857 814196734 /nfs/dbraw/zinc/19/67/34/814196734.db2.gz BKZZNPVWDYTGQO-CQSZACIVSA-N 2 1 280.375 2.244 20 30 CEEDMP C=CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001176759539 816473470 /nfs/dbraw/zinc/47/34/70/816473470.db2.gz JHVNIVFJIPILQQ-HOTGVXAUSA-N 2 1 295.471 2.311 20 30 CEEDMP C=CC[NH2+]CCCCCCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001178729439 816793014 /nfs/dbraw/zinc/79/30/14/816793014.db2.gz YAOBSCHJSAUUDY-INIZCTEOSA-N 2 1 295.471 2.313 20 30 CEEDMP C[NH+](C)CCCC1CC[NH+](C[C@H](C#N)CCC#N)CC1 ZINC000123537837 365638483 /nfs/dbraw/zinc/63/84/83/365638483.db2.gz CMTPRPBLEHOVHG-INIZCTEOSA-N 2 1 276.428 2.484 20 30 CEEDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](C[C@@H](C)CCC#N)C1 ZINC000602480742 347053517 /nfs/dbraw/zinc/05/35/17/347053517.db2.gz XUEMZXLIYPKUMI-HOTGVXAUSA-N 2 1 281.444 2.359 20 30 CEEDMP C[C@H](CCC#N)C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000602486727 347055722 /nfs/dbraw/zinc/05/57/22/347055722.db2.gz OYSSRKVKQLFDIL-QKPAOTATSA-N 2 1 279.428 2.110 20 30 CEEDMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)CC2(C#N)CCOCC2)C1 ZINC000602522572 347065895 /nfs/dbraw/zinc/06/58/95/347065895.db2.gz YCBDNPNJEMFBJM-CABCVRRESA-N 2 1 279.428 2.017 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+]C1CCC(C)(C(=O)OCC)CC1 ZINC000491167076 344909675 /nfs/dbraw/zinc/90/96/75/344909675.db2.gz WDHGAXFZSSAAIJ-UHFFFAOYSA-N 2 1 294.439 2.043 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+]C1CCC(C)(C(=O)OCC)CC1 ZINC000491167076 344909676 /nfs/dbraw/zinc/90/96/76/344909676.db2.gz WDHGAXFZSSAAIJ-UHFFFAOYSA-N 2 1 294.439 2.043 20 30 CEEDMP C=C(C)C[NH+]1CCC(N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000246892336 539462885 /nfs/dbraw/zinc/46/28/85/539462885.db2.gz RHZMTVQGTUDUQU-IRXDYDNUSA-N 2 1 277.456 2.243 20 30 CEEDMP C=C(C)CN1CCC([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000246892336 539462889 /nfs/dbraw/zinc/46/28/89/539462889.db2.gz RHZMTVQGTUDUQU-IRXDYDNUSA-N 2 1 277.456 2.243 20 30 CEEDMP C=C(C)CN1CCC([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000246892336 539462893 /nfs/dbraw/zinc/46/28/93/539462893.db2.gz RHZMTVQGTUDUQU-IRXDYDNUSA-N 2 1 277.456 2.243 20 30 CEEDMP N#Cc1ccc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000594956605 345715739 /nfs/dbraw/zinc/71/57/39/345715739.db2.gz XGCZGDXJTUSLIL-DLBZAZTESA-N 2 1 269.392 2.317 20 30 CEEDMP C[N@H+]1CC[C@@]2(CC[NH+](CCc3ccc(C#N)cc3)C2)C1 ZINC000595509528 345799083 /nfs/dbraw/zinc/79/90/83/345799083.db2.gz GWIKTPUABZBYGI-QGZVFWFLSA-N 2 1 269.392 2.128 20 30 CEEDMP C[NH+]1CC[C@@]2(CC[N@H+](CCc3ccc(C#N)cc3)C2)C1 ZINC000595509528 345799085 /nfs/dbraw/zinc/79/90/85/345799085.db2.gz GWIKTPUABZBYGI-QGZVFWFLSA-N 2 1 269.392 2.128 20 30 CEEDMP C[NH+]1CC[C@@]2(CC[N@@H+](CCc3ccc(C#N)cc3)C2)C1 ZINC000595509528 345799088 /nfs/dbraw/zinc/79/90/88/345799088.db2.gz GWIKTPUABZBYGI-QGZVFWFLSA-N 2 1 269.392 2.128 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](c1cncc(F)c1)C1CC1 ZINC000295006102 539497482 /nfs/dbraw/zinc/49/74/82/539497482.db2.gz MIFBLGKZGZOAQQ-MRXNPFEDSA-N 2 1 275.371 2.217 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](c1cncc(F)c1)C1CC1 ZINC000295006102 539497489 /nfs/dbraw/zinc/49/74/89/539497489.db2.gz MIFBLGKZGZOAQQ-MRXNPFEDSA-N 2 1 275.371 2.217 20 30 CEEDMP N#Cc1ccc(CC[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000595887561 345906738 /nfs/dbraw/zinc/90/67/38/345906738.db2.gz FZCZMSSDOHUEFQ-BBWFWOEESA-N 2 1 269.392 2.160 20 30 CEEDMP N#Cc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)o1 ZINC000600767261 346686547 /nfs/dbraw/zinc/68/65/47/346686547.db2.gz AHMYMAUVCKVLEV-ZIAGYGMSSA-N 2 1 273.380 2.363 20 30 CEEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C[C@H](C)CCC#N ZINC000602657983 347127753 /nfs/dbraw/zinc/12/77/53/347127753.db2.gz VSWGJRPUIOOLQF-SJORKVTESA-N 2 1 294.487 2.274 20 30 CEEDMP C[NH+]1CCC2(CC[N@@H+](CCCSCC#N)C2)CC1 ZINC000602877789 347235328 /nfs/dbraw/zinc/23/53/28/347235328.db2.gz QSFBIHMLXKMDSU-UHFFFAOYSA-N 2 1 267.442 2.051 20 30 CEEDMP C=C(C)C[NH+]1CCC(N[C@@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000623407469 350011387 /nfs/dbraw/zinc/01/13/87/350011387.db2.gz GYIHVYWXMPUICY-MRXNPFEDSA-N 2 1 279.472 2.489 20 30 CEEDMP C=C(C)CN1CCC([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000623407469 350011390 /nfs/dbraw/zinc/01/13/90/350011390.db2.gz GYIHVYWXMPUICY-MRXNPFEDSA-N 3 1 279.472 2.489 20 30 CEEDMP C=C(C)CN1CCC([NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000623407469 350011393 /nfs/dbraw/zinc/01/13/93/350011393.db2.gz GYIHVYWXMPUICY-MRXNPFEDSA-N 3 1 279.472 2.489 20 30 CEEDMP C[N@H+](Cc1ccc(C#N)s1)CC1CC[NH+](C)CC1 ZINC000132221059 366127924 /nfs/dbraw/zinc/12/79/24/366127924.db2.gz KYOJPQZPFBXYMG-UHFFFAOYSA-N 2 1 263.410 2.393 20 30 CEEDMP C=CCOCC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000314514604 538761368 /nfs/dbraw/zinc/76/13/68/538761368.db2.gz NUNXIJNFOCOOSR-UHFFFAOYSA-N 2 1 288.435 2.486 20 30 CEEDMP N#Cc1cccc(OCC[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000150830966 366599608 /nfs/dbraw/zinc/59/96/08/366599608.db2.gz IAGVOXMYWMMYIP-QGZVFWFLSA-N 2 1 299.418 2.355 20 30 CEEDMP N#Cc1cccc(OCC[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000150830966 366599611 /nfs/dbraw/zinc/59/96/11/366599611.db2.gz IAGVOXMYWMMYIP-QGZVFWFLSA-N 2 1 299.418 2.355 20 30 CEEDMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000179500361 189197950 /nfs/dbraw/zinc/19/79/50/189197950.db2.gz ZMFHMSMWEQOWGE-QGZVFWFLSA-N 2 1 298.390 2.119 20 30 CEEDMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000179500361 189197951 /nfs/dbraw/zinc/19/79/51/189197951.db2.gz ZMFHMSMWEQOWGE-QGZVFWFLSA-N 2 1 298.390 2.119 20 30 CEEDMP CCCC[N@@H+](C)CC1CC[NH+](CC#CCOC)CC1 ZINC000677477610 541018297 /nfs/dbraw/zinc/01/82/97/541018297.db2.gz NYEZXYDKZKCPRI-UHFFFAOYSA-N 2 1 266.429 2.080 20 30 CEEDMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000181488368 189297779 /nfs/dbraw/zinc/29/77/79/189297779.db2.gz JILASPBPYUNYGF-AWEZNQCLSA-N 2 1 275.396 2.177 20 30 CEEDMP COc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1C#N ZINC000087823731 363870767 /nfs/dbraw/zinc/87/07/67/363870767.db2.gz NBWHTKTYMCJVKP-AWEZNQCLSA-N 2 1 285.391 2.141 20 30 CEEDMP N#Cc1csc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000093492339 364191475 /nfs/dbraw/zinc/19/14/75/364191475.db2.gz VRCJNUVTECRNPJ-LLVKDONJSA-N 2 1 261.394 2.194 20 30 CEEDMP N#Cc1csc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000093492339 364191478 /nfs/dbraw/zinc/19/14/78/364191478.db2.gz VRCJNUVTECRNPJ-LLVKDONJSA-N 2 1 261.394 2.194 20 30 CEEDMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C#N)cc2)C1 ZINC000173920192 367960580 /nfs/dbraw/zinc/96/05/80/367960580.db2.gz ASAYIRYLBLHEQT-INIZCTEOSA-N 2 1 257.381 2.332 20 30 CEEDMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C#N)cc2)C1 ZINC000173920192 367960583 /nfs/dbraw/zinc/96/05/83/367960583.db2.gz ASAYIRYLBLHEQT-INIZCTEOSA-N 2 1 257.381 2.332 20 30 CEEDMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC000173920192 367960586 /nfs/dbraw/zinc/96/05/86/367960586.db2.gz ASAYIRYLBLHEQT-INIZCTEOSA-N 2 1 257.381 2.332 20 30 CEEDMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000173920192 367960590 /nfs/dbraw/zinc/96/05/90/367960590.db2.gz ASAYIRYLBLHEQT-INIZCTEOSA-N 2 1 257.381 2.332 20 30 CEEDMP C=CCc1cc(C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)cc(OC)c1O ZINC000346693814 368776214 /nfs/dbraw/zinc/77/62/14/368776214.db2.gz PVDSDYLQCXMFFA-JSGCOSHPSA-N 2 1 290.407 2.298 20 30 CEEDMP Cn1cc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)cc1C#N ZINC000189589049 369543356 /nfs/dbraw/zinc/54/33/56/369543356.db2.gz BHTZSQZIBHJQLD-UHFFFAOYSA-N 2 1 274.412 2.249 20 30 CEEDMP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000353594752 370117195 /nfs/dbraw/zinc/11/71/95/370117195.db2.gz NNNXODHNJMPFSY-JJTUDDRGSA-N 2 1 278.440 2.430 20 30 CEEDMP COc1cc(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1C#N ZINC000235009179 370553478 /nfs/dbraw/zinc/55/34/78/370553478.db2.gz INHKMSVTZSJYFS-HZPDHXFCSA-N 2 1 285.391 2.283 20 30 CEEDMP COc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1C#N ZINC000235009179 370553480 /nfs/dbraw/zinc/55/34/80/370553480.db2.gz INHKMSVTZSJYFS-HZPDHXFCSA-N 2 1 285.391 2.283 20 30 CEEDMP COc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1C#N ZINC000235009179 370553485 /nfs/dbraw/zinc/55/34/85/370553485.db2.gz INHKMSVTZSJYFS-HZPDHXFCSA-N 2 1 285.391 2.283 20 30 CEEDMP N#Cc1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000248764348 371243402 /nfs/dbraw/zinc/24/34/02/371243402.db2.gz NUAWJCZZEBBIRM-CVEARBPZSA-N 2 1 255.365 2.275 20 30 CEEDMP N#Cc1cccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000248764348 371243407 /nfs/dbraw/zinc/24/34/07/371243407.db2.gz NUAWJCZZEBBIRM-CVEARBPZSA-N 2 1 255.365 2.275 20 30 CEEDMP C[NH+]1CCC2(CC[N@@H+](CC#Cc3ccccc3)C2)CC1 ZINC000639756117 371547024 /nfs/dbraw/zinc/54/70/24/371547024.db2.gz QIYQVTLCLVBRKH-UHFFFAOYSA-N 2 1 268.404 2.456 20 30 CEEDMP C[C@@H]1CCC[N@@H+](CCNC(=[NH2+])Nc2ccccc2)C1 ZINC000264106765 371970846 /nfs/dbraw/zinc/97/08/46/371970846.db2.gz PTCHFRQRISBARK-CYBMUJFWSA-N 2 1 260.385 2.145 20 30 CEEDMP CCN(CC)C(=[NH2+])NCCC[N@H+]1CCc2ccccc2C1 ZINC000264133422 371975766 /nfs/dbraw/zinc/97/57/66/371975766.db2.gz YULJBUHUZFZDSZ-UHFFFAOYSA-N 2 1 288.439 2.091 20 30 CEEDMP Cn1cc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)cc1C#N ZINC000369722991 373498122 /nfs/dbraw/zinc/49/81/22/373498122.db2.gz UUCAPEDICQHGNT-UHFFFAOYSA-N 2 1 286.423 2.205 20 30 CEEDMP C[N@@H+]1CCC[C@]2(CC[NH+](CCOc3ccc(C#N)cc3)C2)C1 ZINC000292864046 377320677 /nfs/dbraw/zinc/32/06/77/377320677.db2.gz CPDUOBVIHLYQLO-SFHVURJKSA-N 2 1 299.418 2.355 20 30 CEEDMP C[N@H+]1CCC[C@]2(CC[NH+](CCOc3ccc(C#N)cc3)C2)C1 ZINC000292864046 377320683 /nfs/dbraw/zinc/32/06/83/377320683.db2.gz CPDUOBVIHLYQLO-SFHVURJKSA-N 2 1 299.418 2.355 20 30 CEEDMP C[NH+]1CCC[C@]2(CC[N@H+](CCOc3ccc(C#N)cc3)C2)C1 ZINC000292864046 377320689 /nfs/dbraw/zinc/32/06/89/377320689.db2.gz CPDUOBVIHLYQLO-SFHVURJKSA-N 2 1 299.418 2.355 20 30 CEEDMP C[NH+]1CCC[C@]2(CC[N@@H+](CCOc3ccc(C#N)cc3)C2)C1 ZINC000292864046 377320698 /nfs/dbraw/zinc/32/06/98/377320698.db2.gz CPDUOBVIHLYQLO-SFHVURJKSA-N 2 1 299.418 2.355 20 30 CEEDMP C#CCOc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000264977598 190149413 /nfs/dbraw/zinc/14/94/13/190149413.db2.gz SPHFGFILPSTPHQ-QZTJIDSGSA-N 2 1 284.403 2.415 20 30 CEEDMP C#CCOc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000264977598 190149414 /nfs/dbraw/zinc/14/94/14/190149414.db2.gz SPHFGFILPSTPHQ-QZTJIDSGSA-N 2 1 284.403 2.415 20 30 CEEDMP N#C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000442641234 377974460 /nfs/dbraw/zinc/97/44/60/377974460.db2.gz CWHLABSKPRLWRY-QZTJIDSGSA-N 2 1 299.418 2.301 20 30 CEEDMP C#CCOc1ccccc1C[NH2+]C[C@@H]1CC[N@@H+](CC)C1 ZINC000037644242 394496689 /nfs/dbraw/zinc/49/66/89/394496689.db2.gz FADTWXNDTZHOHT-HNNXBMFYSA-N 2 1 272.392 2.130 20 30 CEEDMP C#CCOc1ccccc1C[NH2+]C[C@@H]1CC[N@H+](CC)C1 ZINC000037644242 394496695 /nfs/dbraw/zinc/49/66/95/394496695.db2.gz FADTWXNDTZHOHT-HNNXBMFYSA-N 2 1 272.392 2.130 20 30 CEEDMP C=CC[NH+]1CCC(Nc2cccc(-n3cc[nH+]c3C)n2)CC1 ZINC000362220250 394849762 /nfs/dbraw/zinc/84/97/62/394849762.db2.gz PXIBKHDWXUCSDN-UHFFFAOYSA-N 2 1 297.406 2.060 20 30 CEEDMP C[C@@H](CNC(=[NH2+])Nc1ccccn1)[N@H+](C)Cc1ccccc1 ZINC000178573839 395169682 /nfs/dbraw/zinc/16/96/82/395169682.db2.gz JJIJNDDGPJONKS-AWEZNQCLSA-N 2 1 297.406 2.329 20 30 CEEDMP C[C@@H](CNC(=[NH2+])Nc1ccccn1)[N@@H+](C)Cc1ccccc1 ZINC000178573839 395169689 /nfs/dbraw/zinc/16/96/89/395169689.db2.gz JJIJNDDGPJONKS-AWEZNQCLSA-N 2 1 297.406 2.329 20 30 CEEDMP C=C(C)COCC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000353616949 395303437 /nfs/dbraw/zinc/30/34/37/395303437.db2.gz CFKDXUGXDVZHSL-RRFJBIMHSA-N 2 1 252.402 2.042 20 30 CEEDMP N#Cc1ccc(C[N@H+]2CCC[C@H](c3ncc[nH]3)C2)nc1 ZINC000566415083 395520080 /nfs/dbraw/zinc/52/00/80/395520080.db2.gz YBYLGFQOIOHQRG-ZDUSSCGKSA-N 2 1 267.336 2.056 20 30 CEEDMP N#Cc1ccc(CN2CCC[C@H](c3ncc[nH]3)C2)nc1 ZINC000566415083 395520082 /nfs/dbraw/zinc/52/00/82/395520082.db2.gz YBYLGFQOIOHQRG-ZDUSSCGKSA-N 2 1 267.336 2.056 20 30 CEEDMP C#CC[N@H+](C)CCCNC(=[NH2+])Nc1ccc(CC)cc1 ZINC000491737773 395670571 /nfs/dbraw/zinc/67/05/71/395670571.db2.gz VWIJZVFXNSNDAW-UHFFFAOYSA-N 2 1 272.396 2.140 20 30 CEEDMP C[N@H+]1CC[C@H]([NH2+]CCOc2ccc(C#N)cc2)[C@@H]2CCC[C@H]21 ZINC000367598304 156213793 /nfs/dbraw/zinc/21/37/93/156213793.db2.gz DPENOAXGEZZTSN-OKZBNKHCSA-N 2 1 299.418 2.399 20 30 CEEDMP C=CC[C@@H](C)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655730238 415417719 /nfs/dbraw/zinc/41/77/19/415417719.db2.gz NPRFTZKXXJLNMY-HIFRSBDPSA-N 2 1 252.402 2.184 20 30 CEEDMP C=CC[C@H]1CCC[N@@H+](Cc2nc(C(C)(C)[NH3+])no2)C1 ZINC000662299274 415763599 /nfs/dbraw/zinc/76/35/99/415763599.db2.gz NBNICVHRROILHS-NSHDSACASA-N 2 1 264.373 2.052 20 30 CEEDMP C=CC[C@H]1CCC[N@H+](Cc2nc(C(C)(C)[NH3+])no2)C1 ZINC000662299274 415763603 /nfs/dbraw/zinc/76/36/03/415763603.db2.gz NBNICVHRROILHS-NSHDSACASA-N 2 1 264.373 2.052 20 30 CEEDMP C#CC[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccccc1 ZINC000298399631 260153324 /nfs/dbraw/zinc/15/33/24/260153324.db2.gz LUXUPNPRRVNFGL-INIZCTEOSA-N 2 1 253.349 2.317 20 30 CEEDMP C#Cc1ccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1 ZINC000368024416 260308293 /nfs/dbraw/zinc/30/82/93/260308293.db2.gz UIBIHNLGCGJBOV-GUDVDZBRSA-N 2 1 298.430 2.351 20 30 CEEDMP C[NH+]=C(NC[C@H](c1cccs1)[NH+]1CCCC1)NC(C)C ZINC000072592794 264269275 /nfs/dbraw/zinc/26/92/75/264269275.db2.gz QAVKISUWYJZLDZ-CYBMUJFWSA-N 2 1 294.468 2.458 20 30 CEEDMP Cn1ccnc1[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC000571445979 328121813 /nfs/dbraw/zinc/12/18/13/328121813.db2.gz FARCEJKNPYEWKJ-MRXNPFEDSA-N 2 1 265.360 2.261 20 30 CEEDMP CN(C(=[NH2+])NC[C@H](c1cccs1)[NH+]1CCCC1)C1CC1 ZINC000262178908 328146717 /nfs/dbraw/zinc/14/67/17/328146717.db2.gz DLWDRDVGCMBOSE-CYBMUJFWSA-N 2 1 292.452 2.294 20 30 CEEDMP C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000173906622 329153650 /nfs/dbraw/zinc/15/36/50/329153650.db2.gz KFORVRABSIWZRD-HOTGVXAUSA-N 2 1 295.471 2.073 20 30 CEEDMP C#CC[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000264032138 330060938 /nfs/dbraw/zinc/06/09/38/330060938.db2.gz AQSGPUNAIZWNGT-UHFFFAOYSA-N 2 1 256.393 2.464 20 30 CEEDMP C=CC[NH+](CC=C)[C@H](CN[C@H]1CCC[C@@H]1C[NH3+])C(C)C ZINC000422827661 330156677 /nfs/dbraw/zinc/15/66/77/330156677.db2.gz DYZZHTJQAUFMGW-IXDOHACOSA-N 2 1 279.472 2.402 20 30 CEEDMP C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000423093495 330169516 /nfs/dbraw/zinc/16/95/16/330169516.db2.gz HSWQXUBYLIGTGH-XUJVJEKNSA-N 2 1 261.369 2.126 20 30 CEEDMP C=CCC[NH2+][C@H]1CC[N@H+](CCCOCC)C[C@@H]1C ZINC000249500640 334335025 /nfs/dbraw/zinc/33/50/25/334335025.db2.gz XDDSTPRCZSPVGE-GJZGRUSLSA-N 2 1 254.418 2.289 20 30 CEEDMP C=CC[NH+]1CCC([NH2+]C[C@@H](O)CC2CCCC2)CC1 ZINC000573084147 334906522 /nfs/dbraw/zinc/90/65/22/334906522.db2.gz MVUPNEACQPDJBE-INIZCTEOSA-N 2 1 266.429 2.168 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc3c(c2)nnn3C)CC1 ZINC000344236730 526604983 /nfs/dbraw/zinc/60/49/83/526604983.db2.gz AUWNBLLYJDYOLL-UHFFFAOYSA-N 2 1 299.422 2.098 20 30 CEEDMP C=CC[C@@H]1CC[NH+]1CCOCC[N@@H+]1CC[C@H]1CC=C ZINC000934462563 624509899 /nfs/dbraw/zinc/50/98/99/624509899.db2.gz XVBXVHVOKJFGRX-HZPDHXFCSA-N 2 1 264.413 2.304 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+]Cc1c[nH]nc1-c1cccc(C)c1 ZINC000820847227 634550151 /nfs/dbraw/zinc/55/01/51/634550151.db2.gz WCZGXMMZHAWWRU-UHFFFAOYSA-N 2 1 296.418 2.430 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1c[nH]nc1-c1cccc(C)c1 ZINC000820847227 634550157 /nfs/dbraw/zinc/55/01/57/634550157.db2.gz WCZGXMMZHAWWRU-UHFFFAOYSA-N 2 1 296.418 2.430 20 30 CEEDMP CCCCCCCCNC(=[NH2+])NC[C@@H]1CC[N@@H+](C)C1 ZINC000104172182 628680704 /nfs/dbraw/zinc/68/07/04/628680704.db2.gz NPSKGNMGGCGBGJ-AWEZNQCLSA-N 2 1 268.449 2.203 20 30 CEEDMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=[NH2+])NCC2CCC2)C1 ZINC000262025799 629450384 /nfs/dbraw/zinc/45/03/84/629450384.db2.gz ZGTBTNCHBIEXHM-CYBMUJFWSA-N 2 1 280.460 2.201 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+]C[C@H]1CCc2ccccc21 ZINC000894639679 629569830 /nfs/dbraw/zinc/56/98/30/629569830.db2.gz QZQAGNZGDZKBHG-MRXNPFEDSA-N 2 1 256.393 2.261 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@H]1CCc2ccccc21 ZINC000894639679 629569833 /nfs/dbraw/zinc/56/98/33/629569833.db2.gz QZQAGNZGDZKBHG-MRXNPFEDSA-N 2 1 256.393 2.261 20 30 CEEDMP CC[C@@H](C)NC(=[NH2+])NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000303253930 631079069 /nfs/dbraw/zinc/07/90/69/631079069.db2.gz DKXHVQRETFUKFW-QLFBSQMISA-N 2 1 282.476 2.447 20 30 CEEDMP CCc1ccc(NC(=[NH2+])NC[C@@H](C)[N@@H+](C)C2CC2)cc1 ZINC000303980762 631096561 /nfs/dbraw/zinc/09/65/61/631096561.db2.gz OMFWFYZYZLLMLB-GFCCVEGCSA-N 2 1 274.412 2.458 20 30 CEEDMP CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])c1 ZINC000817917471 633776257 /nfs/dbraw/zinc/77/62/57/633776257.db2.gz HAIGPDKMWRDHMX-VNQPRFMTSA-N 2 1 273.380 2.337 20 30 CEEDMP N#CC1CCC(C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)CC1 ZINC000903475879 635144773 /nfs/dbraw/zinc/14/47/73/635144773.db2.gz GQRHMQVSDLHQKI-SSHXOBKSSA-N 2 1 261.413 2.390 20 30 CEEDMP N#CC1CCC(C[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)CC1 ZINC000903475879 635144774 /nfs/dbraw/zinc/14/47/74/635144774.db2.gz GQRHMQVSDLHQKI-SSHXOBKSSA-N 2 1 261.413 2.390 20 30 CEEDMP C[N@H+](CC[C@@H]1CCC[NH+]1C)C[C@H](O)c1cccc(C#N)c1 ZINC000844366850 640694245 /nfs/dbraw/zinc/69/42/45/640694245.db2.gz OZYFBPNALSNFJN-IRXDYDNUSA-N 2 1 287.407 2.008 20 30 CEEDMP C[N@@H+](CC[C@@H]1CCC[NH+]1C)C[C@H](O)c1cccc(C#N)c1 ZINC000844366850 640694248 /nfs/dbraw/zinc/69/42/48/640694248.db2.gz OZYFBPNALSNFJN-IRXDYDNUSA-N 2 1 287.407 2.008 20 30 CEEDMP C[NH+](CC[C@@H]1CCC[N@@H+]1C)C[C@H](O)c1cccc(C#N)c1 ZINC000844366850 640694253 /nfs/dbraw/zinc/69/42/53/640694253.db2.gz OZYFBPNALSNFJN-IRXDYDNUSA-N 2 1 287.407 2.008 20 30 CEEDMP C[NH+](CC[C@@H]1CCC[N@H+]1C)C[C@H](O)c1cccc(C#N)c1 ZINC000844366850 640694256 /nfs/dbraw/zinc/69/42/56/640694256.db2.gz OZYFBPNALSNFJN-IRXDYDNUSA-N 2 1 287.407 2.008 20 30 CEEDMP C[NH+]=C(NC[C@@H]1CCC[N@H+]1CC1CCCCC1)NC1CC1 ZINC000849076281 642259852 /nfs/dbraw/zinc/25/98/52/642259852.db2.gz CJZRJYICPMPSLT-INIZCTEOSA-N 2 1 292.471 2.359 20 30 CEEDMP C=CCC[C@@H](O)C[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000923413395 643701747 /nfs/dbraw/zinc/70/17/47/643701747.db2.gz FOHRZOCNYPOSNP-UKRRQHHQSA-N 2 1 254.418 2.010 20 30 CEEDMP CN(C)c1ccc(C#N)cc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000865416839 647284477 /nfs/dbraw/zinc/28/44/77/647284477.db2.gz NZKCRHYWANUBPX-IRXDYDNUSA-N 2 1 298.434 2.341 20 30 CEEDMP CN(C)c1ccc(C#N)cc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000865416839 647284480 /nfs/dbraw/zinc/28/44/80/647284480.db2.gz NZKCRHYWANUBPX-IRXDYDNUSA-N 2 1 298.434 2.341 20 30 CEEDMP C=CC[C@@H](C)[N@@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000880202846 651400799 /nfs/dbraw/zinc/40/07/99/651400799.db2.gz VPVYARFSDSGHKB-HIFRSBDPSA-N 2 1 252.402 2.184 20 30 CEEDMP C=CC[C@@H](C)[N@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000880202846 651400800 /nfs/dbraw/zinc/40/08/00/651400800.db2.gz VPVYARFSDSGHKB-HIFRSBDPSA-N 2 1 252.402 2.184 20 30 CEEDMP C=CCC[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)[C@H]1CCCO1 ZINC000883209383 652401617 /nfs/dbraw/zinc/40/16/17/652401617.db2.gz BBUUXWHJVKIQPR-HZPDHXFCSA-N 2 1 264.413 2.352 20 30 CEEDMP C=CCCC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CCC)C[C@@H]1C ZINC001271447512 805959869 /nfs/dbraw/zinc/95/98/69/805959869.db2.gz KXALJUWZFIZHLB-JKSUJKDBSA-N 2 1 295.471 2.121 20 30 CEEDMP C=CC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@H+](CCC)C1)C(C)C ZINC001271886657 806127618 /nfs/dbraw/zinc/12/76/18/806127618.db2.gz VBIJCLMMYUNUNZ-HOTGVXAUSA-N 2 1 295.471 2.025 20 30 CEEDMP C=C(C)CC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001038240504 803177408 /nfs/dbraw/zinc/17/74/08/803177408.db2.gz QJNPYOBIOBZFSF-HOTGVXAUSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CC[NH+](CC)CCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001267242331 803281513 /nfs/dbraw/zinc/28/15/13/803281513.db2.gz GPTWDVUMKDLGTH-MRXNPFEDSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CC[NH+](CC)CCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001267242331 803281516 /nfs/dbraw/zinc/28/15/16/803281516.db2.gz GPTWDVUMKDLGTH-MRXNPFEDSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001283621958 803523660 /nfs/dbraw/zinc/52/36/60/803523660.db2.gz PPDSSIYHKRGVCO-GDBMZVCRSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CCC[N@H+]1CC[C@H](CNC(=O)c2cc3c[nH]ccc-3n2)C1 ZINC001028633096 804938121 /nfs/dbraw/zinc/93/81/21/804938121.db2.gz XCQJUUXBUNJUJM-CYBMUJFWSA-N 2 1 298.390 2.191 20 30 CEEDMP C=CCC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001268748101 804958122 /nfs/dbraw/zinc/95/81/22/804958122.db2.gz DJUAYIGYFINBBQ-JKSUJKDBSA-N 2 1 295.471 2.262 20 30 CEEDMP C=CCC[NH+](C)C[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001268748101 804958127 /nfs/dbraw/zinc/95/81/27/804958127.db2.gz DJUAYIGYFINBBQ-JKSUJKDBSA-N 2 1 295.471 2.262 20 30 CEEDMP C=CCC[NH+](C)C[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001268748101 804958132 /nfs/dbraw/zinc/95/81/32/804958132.db2.gz DJUAYIGYFINBBQ-JKSUJKDBSA-N 2 1 295.471 2.262 20 30 CEEDMP C=CCC[NH+]1CC[C@@]2(NC(=O)C[N@H+](C)C(C)C)CCC[C@@H]12 ZINC001284070652 807065180 /nfs/dbraw/zinc/06/51/80/807065180.db2.gz JNXVZIPOIFARHU-WBVHZDCISA-N 2 1 293.455 2.016 20 30 CEEDMP C=CCC[N@@H+]1CC[C@@]2(NC(=O)C[NH+](C)C(C)C)CCC[C@@H]12 ZINC001284070652 807065188 /nfs/dbraw/zinc/06/51/88/807065188.db2.gz JNXVZIPOIFARHU-WBVHZDCISA-N 2 1 293.455 2.016 20 30 CEEDMP C=CCC[N@H+]1CC[C@@]2(NC(=O)C[NH+](C)C(C)C)CCC[C@@H]12 ZINC001284070652 807065196 /nfs/dbraw/zinc/06/51/96/807065196.db2.gz JNXVZIPOIFARHU-WBVHZDCISA-N 2 1 293.455 2.016 20 30 CEEDMP C=CC[NH+]1CCCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001034241296 809561818 /nfs/dbraw/zinc/56/18/18/809561818.db2.gz XKGVWXAONMIXSB-JKSUJKDBSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001034241296 809561824 /nfs/dbraw/zinc/56/18/24/809561824.db2.gz XKGVWXAONMIXSB-JKSUJKDBSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001034241296 809561830 /nfs/dbraw/zinc/56/18/30/809561830.db2.gz XKGVWXAONMIXSB-JKSUJKDBSA-N 2 1 293.455 2.018 20 30 CEEDMP CCCCCCC[C@@H](C)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000702600449 809570641 /nfs/dbraw/zinc/57/06/41/809570641.db2.gz RCPZBHOFZKRFLB-CABCVRRESA-N 2 1 256.434 2.392 20 30 CEEDMP CCCCCCC[C@@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000702600449 809570645 /nfs/dbraw/zinc/57/06/45/809570645.db2.gz RCPZBHOFZKRFLB-CABCVRRESA-N 2 1 256.434 2.392 20 30 CEEDMP C=CCC[NH2+]C1(CNC(=O)C[N@H+](C)CC(C)(C)C)CCC1 ZINC001273153672 810052073 /nfs/dbraw/zinc/05/20/73/810052073.db2.gz BKWFZAJRIQHHKD-UHFFFAOYSA-N 2 1 295.471 2.169 20 30 CEEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001015499830 810298021 /nfs/dbraw/zinc/29/80/21/810298021.db2.gz QYULJVBUWXZFIC-HNNXBMFYSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCCC[C@@H]([NH3+])C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC001121909584 815365940 /nfs/dbraw/zinc/36/59/40/815365940.db2.gz VUMGCJCLGWYGLQ-JKSUJKDBSA-N 2 1 295.471 2.441 20 30 CEEDMP C[C@H](Cc1ccc(C#N)cc1)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC001172295408 815386410 /nfs/dbraw/zinc/38/64/10/815386410.db2.gz RFCOHPBMJUNODD-PBHICJAKSA-N 2 1 271.408 2.421 20 30 CEEDMP C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001038521419 810853741 /nfs/dbraw/zinc/85/37/41/810853741.db2.gz XJUDPOKDYPGVQZ-MRXNPFEDSA-N 2 1 298.390 2.105 20 30 CEEDMP N#Cc1c[nH]c2cc[nH+]c(N[C@H]3CCC[C@H]([NH3+])C3)c12 ZINC001154990518 810891714 /nfs/dbraw/zinc/89/17/14/810891714.db2.gz XRJZWEGCOXWOAA-QWRGUYRKSA-N 2 1 255.325 2.116 20 30 CEEDMP C=CCC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001038783891 810912276 /nfs/dbraw/zinc/91/22/76/810912276.db2.gz ZRKCSTGQNSCFTG-HOTGVXAUSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CCC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001038783891 810912287 /nfs/dbraw/zinc/91/22/87/810912287.db2.gz ZRKCSTGQNSCFTG-HOTGVXAUSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CCC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001038783891 810912295 /nfs/dbraw/zinc/91/22/95/810912295.db2.gz ZRKCSTGQNSCFTG-HOTGVXAUSA-N 2 1 293.455 2.016 20 30 CEEDMP CCCCCCC[NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001155822709 811140944 /nfs/dbraw/zinc/14/09/44/811140944.db2.gz YCKYUFZDCHZVIB-HNNXBMFYSA-N 2 1 283.460 2.147 20 30 CEEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[C@H]1C ZINC001132106956 812788883 /nfs/dbraw/zinc/78/88/83/812788883.db2.gz WPXFYBSZIQVUJF-CABCVRRESA-N 2 1 293.455 2.016 20 30 CEEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)CC[C@H]1C ZINC001132111724 812790534 /nfs/dbraw/zinc/79/05/34/812790534.db2.gz WVQSJASKKMZOJH-CABCVRRESA-N 2 1 293.455 2.016 20 30 CEEDMP C=CCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)CC[C@H]1C ZINC001132111724 812790541 /nfs/dbraw/zinc/79/05/41/812790541.db2.gz WVQSJASKKMZOJH-CABCVRRESA-N 2 1 293.455 2.016 20 30 CEEDMP C=CCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)CC[C@H]1C ZINC001132111724 812790545 /nfs/dbraw/zinc/79/05/45/812790545.db2.gz WVQSJASKKMZOJH-CABCVRRESA-N 2 1 293.455 2.016 20 30 CEEDMP C=C(C)CC[N@@H+]1C[C@H](NC(=O)CCC[NH+](C)C)CC[C@@H]1C ZINC001132269551 812816720 /nfs/dbraw/zinc/81/67/20/812816720.db2.gz LVIFPZLFXWGYNQ-JKSUJKDBSA-N 2 1 295.471 2.264 20 30 CEEDMP C=C(C)C[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001052499515 813000797 /nfs/dbraw/zinc/00/07/97/813000797.db2.gz WRFVHQYBQCJCGZ-HZPDHXFCSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001052499515 813000806 /nfs/dbraw/zinc/00/08/06/813000806.db2.gz WRFVHQYBQCJCGZ-HZPDHXFCSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001052499515 813000812 /nfs/dbraw/zinc/00/08/12/813000812.db2.gz WRFVHQYBQCJCGZ-HZPDHXFCSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1[nH+]c(C)ccc1C ZINC001171067809 813798420 /nfs/dbraw/zinc/79/84/20/813798420.db2.gz PZMJSPNGTCAYEU-AWEZNQCLSA-N 2 1 291.395 2.337 20 30 CEEDMP C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001099125676 813990019 /nfs/dbraw/zinc/99/00/19/813990019.db2.gz JGDOAARAIZJLCT-HUUCEWRRSA-N 2 1 295.471 2.119 20 30 CEEDMP C=CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[N@H+](C)CC ZINC001099299690 813998285 /nfs/dbraw/zinc/99/82/85/813998285.db2.gz UHSNHXZYAHEQDV-OAHLLOKOSA-N 2 1 295.471 2.121 20 30 CEEDMP C=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[NH+](C)CC ZINC001099299690 813998291 /nfs/dbraw/zinc/99/82/91/813998291.db2.gz UHSNHXZYAHEQDV-OAHLLOKOSA-N 2 1 295.471 2.121 20 30 CEEDMP C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[NH+](C)CC ZINC001099299690 813998294 /nfs/dbraw/zinc/99/82/94/813998294.db2.gz UHSNHXZYAHEQDV-OAHLLOKOSA-N 2 1 295.471 2.121 20 30 CEEDMP C[C@@H](Cc1cccc(C#N)c1)n1cc[nH+]c1CCC[NH3+] ZINC001171204408 814149041 /nfs/dbraw/zinc/14/90/41/814149041.db2.gz XKDDRXIWXDXPNQ-ZDUSSCGKSA-N 2 1 268.364 2.450 20 30 CEEDMP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001176164683 816366681 /nfs/dbraw/zinc/36/66/81/816366681.db2.gz DGKJPQLGACEVJK-HZPDHXFCSA-N 2 1 295.471 2.169 20 30 CEEDMP COc1cc(C#N)ccc1CN(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000121135908 365526330 /nfs/dbraw/zinc/52/63/30/365526330.db2.gz BKJSYVWWSPNEPP-XJKSGUPXSA-N 2 1 287.407 2.481 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000295011078 539273220 /nfs/dbraw/zinc/27/32/20/539273220.db2.gz MSDQBVPDNWFQJQ-AWEZNQCLSA-N 2 1 255.365 2.164 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000295011078 539273221 /nfs/dbraw/zinc/27/32/21/539273221.db2.gz MSDQBVPDNWFQJQ-AWEZNQCLSA-N 2 1 255.365 2.164 20 30 CEEDMP N#Cc1cccc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000335538329 212236243 /nfs/dbraw/zinc/23/62/43/212236243.db2.gz IVROHWLBINNFJC-DLBZAZTESA-N 2 1 269.392 2.380 20 30 CEEDMP CC#CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076109960 343880823 /nfs/dbraw/zinc/88/08/23/343880823.db2.gz HXYUOWCMIPPNNQ-KRWDZBQOSA-N 2 1 256.393 2.464 20 30 CEEDMP CC#CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076109960 343880826 /nfs/dbraw/zinc/88/08/26/343880826.db2.gz HXYUOWCMIPPNNQ-KRWDZBQOSA-N 2 1 256.393 2.464 20 30 CEEDMP CC#CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076109960 343880828 /nfs/dbraw/zinc/88/08/28/343880828.db2.gz HXYUOWCMIPPNNQ-KRWDZBQOSA-N 2 1 256.393 2.464 20 30 CEEDMP CC#CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076109960 343880831 /nfs/dbraw/zinc/88/08/31/343880831.db2.gz HXYUOWCMIPPNNQ-KRWDZBQOSA-N 2 1 256.393 2.464 20 30 CEEDMP CC[NH+](CC)[C@H](C)C[NH2+][C@H](C)CC1(C#N)CCOCC1 ZINC000602508993 347061732 /nfs/dbraw/zinc/06/17/32/347061732.db2.gz DZFHUBUNVXLHHB-HUUCEWRRSA-N 2 1 281.444 2.405 20 30 CEEDMP CC(C)(CCC#N)C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000594524091 345643831 /nfs/dbraw/zinc/64/38/31/345643831.db2.gz ODBZWERMDWAJLH-HNNXBMFYSA-N 2 1 279.428 2.159 20 30 CEEDMP C[NH+](C)CCC[C@H]1C[N@H+](Cc2ccc(C#N)cc2)CCO1 ZINC000595905047 345910870 /nfs/dbraw/zinc/91/08/70/345910870.db2.gz PCSQCQKONWFBTM-KRWDZBQOSA-N 2 1 287.407 2.101 20 30 CEEDMP C[NH+](C)CCC[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)CCO1 ZINC000595905047 345910874 /nfs/dbraw/zinc/91/08/74/345910874.db2.gz PCSQCQKONWFBTM-KRWDZBQOSA-N 2 1 287.407 2.101 20 30 CEEDMP C=CCN1CCC([NH2+]Cc2cc(C)c(C(=O)OC)o2)CC1 ZINC000597054391 346121373 /nfs/dbraw/zinc/12/13/73/346121373.db2.gz SUUDOOIJHRIWCJ-UHFFFAOYSA-N 2 1 292.379 2.115 20 30 CEEDMP CC(C)[NH+]1CCC([N@@H+](C)C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598590719 346378642 /nfs/dbraw/zinc/37/86/42/346378642.db2.gz SRBOGABDWANJPV-HNNXBMFYSA-N 2 1 281.444 2.092 20 30 CEEDMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598724127 346408893 /nfs/dbraw/zinc/40/88/93/346408893.db2.gz IPTOIKMCKINVBZ-CVEARBPZSA-N 2 1 295.471 2.245 20 30 CEEDMP Cc1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1C#N ZINC000599425835 346516592 /nfs/dbraw/zinc/51/65/92/346516592.db2.gz PSIJLXWTEXGRHI-QGZVFWFLSA-N 2 1 269.392 2.394 20 30 CEEDMP Cc1ccc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)cc1C#N ZINC000599425835 346516594 /nfs/dbraw/zinc/51/65/94/346516594.db2.gz PSIJLXWTEXGRHI-QGZVFWFLSA-N 2 1 269.392 2.394 20 30 CEEDMP Cc1ccc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1C#N ZINC000599425835 346516597 /nfs/dbraw/zinc/51/65/97/346516597.db2.gz PSIJLXWTEXGRHI-QGZVFWFLSA-N 2 1 269.392 2.394 20 30 CEEDMP Cc1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1C#N ZINC000599425835 346516598 /nfs/dbraw/zinc/51/65/98/346516598.db2.gz PSIJLXWTEXGRHI-QGZVFWFLSA-N 2 1 269.392 2.394 20 30 CEEDMP C[C@H]1CCC[N@@H+](CCCC[NH2+]C[C@H](O)CC2(C#N)CC2)C1 ZINC000600716725 346677303 /nfs/dbraw/zinc/67/73/03/346677303.db2.gz LMJFGIZXGMRSAO-JKSUJKDBSA-N 2 1 293.455 2.143 20 30 CEEDMP C[C@@H]1C[C@H](C[N@H+]2CCc3c(CC#N)cccc3C2)CC[NH2+]1 ZINC000600771433 346686920 /nfs/dbraw/zinc/68/69/20/346686920.db2.gz FRYDTHAEMKDENS-HUUCEWRRSA-N 2 1 283.419 2.499 20 30 CEEDMP C[C@H](CCC#N)C[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000602633171 347114277 /nfs/dbraw/zinc/11/42/77/347114277.db2.gz LMTBBOLIJCJCSY-HUUCEWRRSA-N 2 1 267.417 2.017 20 30 CEEDMP CC(C)C[N@H+]1CC[C@H](CNC(=[NH2+])N2CCC(C)CC2)C1 ZINC000129627973 365881246 /nfs/dbraw/zinc/88/12/46/365881246.db2.gz WAVPJYSOWAWSAY-OAHLLOKOSA-N 2 1 280.460 2.011 20 30 CEEDMP C=CC[C@@H]1CC[NH+](C[C@@H](O)C[N@H+]2CC[C@H](CC=C)C2)C1 ZINC000625701356 350550869 /nfs/dbraw/zinc/55/08/69/350550869.db2.gz JJHQFAJVGCOYNK-BJWYYQGGSA-N 2 1 278.440 2.143 20 30 CEEDMP C=CC[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+]2CC[C@H](CC=C)C2)C1 ZINC000625701356 350550871 /nfs/dbraw/zinc/55/08/71/350550871.db2.gz JJHQFAJVGCOYNK-BJWYYQGGSA-N 2 1 278.440 2.143 20 30 CEEDMP C=CC[C@@H]1CC[N@H+](C[C@@H](O)C[NH+]2CC[C@H](CC=C)C2)C1 ZINC000625701356 350550872 /nfs/dbraw/zinc/55/08/72/350550872.db2.gz JJHQFAJVGCOYNK-BJWYYQGGSA-N 2 1 278.440 2.143 20 30 CEEDMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000271868037 191378558 /nfs/dbraw/zinc/37/85/58/191378558.db2.gz VMBUZGXZIVCZSG-LBPRGKRZSA-N 2 1 254.337 2.414 20 30 CEEDMP N#Cc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000150842288 366599797 /nfs/dbraw/zinc/59/97/97/366599797.db2.gz YNNFLDJKJZJBPT-QGZVFWFLSA-N 2 1 269.392 2.476 20 30 CEEDMP N#Cc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000150842288 366599804 /nfs/dbraw/zinc/59/98/04/366599804.db2.gz YNNFLDJKJZJBPT-QGZVFWFLSA-N 2 1 269.392 2.476 20 30 CEEDMP CC[N@H+]1CC[C@H]([NH2+]CCc2cccc(C#N)c2)[C@@H](C)C1 ZINC000343618568 367919280 /nfs/dbraw/zinc/91/92/80/367919280.db2.gz TVSJUPURHVUKCT-YOEHRIQHSA-N 2 1 271.408 2.421 20 30 CEEDMP N#Cc1cccc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000343572302 367891464 /nfs/dbraw/zinc/89/14/64/367891464.db2.gz MRHXJBNFIDSSQQ-IRXDYDNUSA-N 2 1 269.392 2.317 20 30 CEEDMP C=CC(C)(C)C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634715968 368835958 /nfs/dbraw/zinc/83/59/58/368835958.db2.gz MPTPFLIMOPDYCI-SFHVURJKSA-N 2 1 288.435 2.425 20 30 CEEDMP C=CC(C)(C)C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634715968 368835962 /nfs/dbraw/zinc/83/59/62/368835962.db2.gz MPTPFLIMOPDYCI-SFHVURJKSA-N 2 1 288.435 2.425 20 30 CEEDMP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000353594750 370117951 /nfs/dbraw/zinc/11/79/51/370117951.db2.gz NNNXODHNJMPFSY-HHARLNAUSA-N 2 1 278.440 2.430 20 30 CEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cccc(Cl)c1 ZINC000264104183 371970296 /nfs/dbraw/zinc/97/02/96/371970296.db2.gz NHRPMAOVHBWBNF-AWEZNQCLSA-N 2 1 294.830 2.229 20 30 CEEDMP CCCCNC(=[NH2+])NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000264141408 371977181 /nfs/dbraw/zinc/97/71/81/371977181.db2.gz WPDCUPJLYZBVKU-ZDUSSCGKSA-N 2 1 278.400 2.121 20 30 CEEDMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cccc(C#N)c1 ZINC000275018638 374128238 /nfs/dbraw/zinc/12/82/38/374128238.db2.gz LWNQFFVSFWEWJZ-CZUORRHYSA-N 2 1 257.381 2.330 20 30 CEEDMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cccc(C#N)c1 ZINC000275018638 374128242 /nfs/dbraw/zinc/12/82/42/374128242.db2.gz LWNQFFVSFWEWJZ-CZUORRHYSA-N 2 1 257.381 2.330 20 30 CEEDMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cccc(C#N)c1 ZINC000275018638 374128249 /nfs/dbraw/zinc/12/82/49/374128249.db2.gz LWNQFFVSFWEWJZ-CZUORRHYSA-N 2 1 257.381 2.330 20 30 CEEDMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cccc(C#N)c1 ZINC000275018638 374128256 /nfs/dbraw/zinc/12/82/56/374128256.db2.gz LWNQFFVSFWEWJZ-CZUORRHYSA-N 2 1 257.381 2.330 20 30 CEEDMP C[NH+](C)[C@@H]1CCC[N@H+](CCOc2cccc(C#N)c2)CC1 ZINC000277186256 374430622 /nfs/dbraw/zinc/43/06/22/374430622.db2.gz LOURXDWDECDWCO-MRXNPFEDSA-N 2 1 287.407 2.353 20 30 CEEDMP C[NH+](C)[C@@H]1CCC[N@@H+](CCOc2cccc(C#N)c2)CC1 ZINC000277186256 374430625 /nfs/dbraw/zinc/43/06/25/374430625.db2.gz LOURXDWDECDWCO-MRXNPFEDSA-N 2 1 287.407 2.353 20 30 CEEDMP C=CC[N@H+](C[C@H](C[NH3+])c1ccc(OC)cc1)C1CC1 ZINC000420372655 376683739 /nfs/dbraw/zinc/68/37/39/376683739.db2.gz LQNZVEKULRDCST-AWEZNQCLSA-N 2 1 260.381 2.388 20 30 CEEDMP COc1cc(C[N@@H+](C)[C@@H]2CCN(C)C[C@@H]2C)ccc1C#N ZINC000290434479 376777364 /nfs/dbraw/zinc/77/73/64/376777364.db2.gz LLKYBJLFUKLOAZ-XJKSGUPXSA-N 2 1 287.407 2.339 20 30 CEEDMP COc1cc(CN(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)ccc1C#N ZINC000290434479 376777368 /nfs/dbraw/zinc/77/73/68/376777368.db2.gz LLKYBJLFUKLOAZ-XJKSGUPXSA-N 2 1 287.407 2.339 20 30 CEEDMP COc1cc(CN(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)ccc1C#N ZINC000290434479 376777375 /nfs/dbraw/zinc/77/73/75/376777375.db2.gz LLKYBJLFUKLOAZ-XJKSGUPXSA-N 2 1 287.407 2.339 20 30 CEEDMP COc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)ccc1C#N ZINC000290434479 376777384 /nfs/dbraw/zinc/77/73/84/376777384.db2.gz LLKYBJLFUKLOAZ-XJKSGUPXSA-N 2 1 287.407 2.339 20 30 CEEDMP COc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)ccc1C#N ZINC000290434479 376777390 /nfs/dbraw/zinc/77/73/90/376777390.db2.gz LLKYBJLFUKLOAZ-XJKSGUPXSA-N 2 1 287.407 2.339 20 30 CEEDMP COc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)ccc1C#N ZINC000290434479 376777398 /nfs/dbraw/zinc/77/73/98/376777398.db2.gz LLKYBJLFUKLOAZ-XJKSGUPXSA-N 2 1 287.407 2.339 20 30 CEEDMP COc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)ccc1C#N ZINC000290434479 376777404 /nfs/dbraw/zinc/77/74/04/376777404.db2.gz LLKYBJLFUKLOAZ-XJKSGUPXSA-N 2 1 287.407 2.339 20 30 CEEDMP C=CC[C@@H](C)[C@@H](C)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000442861199 378009112 /nfs/dbraw/zinc/00/91/12/378009112.db2.gz DBBVLZNZJTXRRO-HUUCEWRRSA-N 2 1 267.461 2.203 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCc2cc(F)c(OC)cc21 ZINC000294936279 378029793 /nfs/dbraw/zinc/02/97/93/378029793.db2.gz HTDJIROBMOHQEW-MRXNPFEDSA-N 2 1 290.382 2.366 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCc2cc(F)c(OC)cc21 ZINC000294936279 378029797 /nfs/dbraw/zinc/02/97/97/378029797.db2.gz HTDJIROBMOHQEW-MRXNPFEDSA-N 2 1 290.382 2.366 20 30 CEEDMP CN(C)C(=[NH+]C[C@H](c1ccco1)[NH+]1CCCCC1)N(C)C ZINC000262276426 394615538 /nfs/dbraw/zinc/61/55/38/394615538.db2.gz LBXSFLYQMYDZSH-CQSZACIVSA-N 2 1 292.427 2.286 20 30 CEEDMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000333221429 394642847 /nfs/dbraw/zinc/64/28/47/394642847.db2.gz ACARPIAGMMJVJF-KSSFIOAISA-N 2 1 298.434 2.115 20 30 CEEDMP CNC(=[NH2+])NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000270612165 394737056 /nfs/dbraw/zinc/73/70/56/394737056.db2.gz YKANMXOJYJHNHV-GWCFXTLKSA-N 2 1 298.793 2.006 20 30 CEEDMP C=CCCC[C@@H](C)[N@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000359504566 394758734 /nfs/dbraw/zinc/75/87/34/394758734.db2.gz CNBFOZRESBRQCD-SJORKVTESA-N 2 1 279.472 2.443 20 30 CEEDMP C=CCNC(=O)[C@H](C)[NH2+][C@H]1CCCC[C@H]1C[NH+](CC)CC ZINC000360957411 394811226 /nfs/dbraw/zinc/81/12/26/394811226.db2.gz MHSGNAQYNWYNIO-JYJNAYRXSA-N 2 1 295.471 2.167 20 30 CEEDMP C=CC[N@@H+](C)CCCN1CCN(c2ccccc2)CC1 ZINC000285364740 394956044 /nfs/dbraw/zinc/95/60/44/394956044.db2.gz QVEFRMGMQGFKFA-UHFFFAOYSA-N 2 1 273.424 2.317 20 30 CEEDMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+]([C@H]2CC[C@H](C#N)C2)C1 ZINC000339011644 394936698 /nfs/dbraw/zinc/93/66/98/394936698.db2.gz VUWZWBXIDIWZSI-JYJNAYRXSA-N 2 1 261.413 2.342 20 30 CEEDMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+]([C@H]2CC[C@H](C#N)C2)C1 ZINC000339011644 394936702 /nfs/dbraw/zinc/93/67/02/394936702.db2.gz VUWZWBXIDIWZSI-JYJNAYRXSA-N 2 1 261.413 2.342 20 30 CEEDMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+]([C@H]2CC[C@H](C#N)C2)C1 ZINC000339011644 394936705 /nfs/dbraw/zinc/93/67/05/394936705.db2.gz VUWZWBXIDIWZSI-JYJNAYRXSA-N 2 1 261.413 2.342 20 30 CEEDMP C=CCCCCC[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000373277871 395057881 /nfs/dbraw/zinc/05/78/81/395057881.db2.gz JFPDDPBRGIRCPI-QGZVFWFLSA-N 2 1 279.472 2.445 20 30 CEEDMP C=CCCC[N@@H+]1CC[C@H](OCC[NH+](CC)CC)C1 ZINC000350181703 395183575 /nfs/dbraw/zinc/18/35/75/395183575.db2.gz QKHFAAPTOYFAKU-HNNXBMFYSA-N 2 1 254.418 2.385 20 30 CEEDMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000353387395 395296008 /nfs/dbraw/zinc/29/60/08/395296008.db2.gz OLRJOYWIVDNCSW-QGZVFWFLSA-N 2 1 287.407 2.103 20 30 CEEDMP N#Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@H]3C2)cc1 ZINC000363117379 156003042 /nfs/dbraw/zinc/00/30/42/156003042.db2.gz HEOYGTOWZMCNRE-FGTMMUONSA-N 2 1 281.403 2.474 20 30 CEEDMP N#Cc1ccc(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@H]3C2)cc1 ZINC000363117379 156003046 /nfs/dbraw/zinc/00/30/46/156003046.db2.gz HEOYGTOWZMCNRE-FGTMMUONSA-N 2 1 281.403 2.474 20 30 CEEDMP N#Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)cc1 ZINC000363117379 156003048 /nfs/dbraw/zinc/00/30/48/156003048.db2.gz HEOYGTOWZMCNRE-FGTMMUONSA-N 2 1 281.403 2.474 20 30 CEEDMP N#Cc1ccc(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)cc1 ZINC000363117379 156003051 /nfs/dbraw/zinc/00/30/51/156003051.db2.gz HEOYGTOWZMCNRE-FGTMMUONSA-N 2 1 281.403 2.474 20 30 CEEDMP C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000661116519 415102376 /nfs/dbraw/zinc/10/23/76/415102376.db2.gz YRMLAGKTZSNYTN-FVQBIDKESA-N 2 1 266.429 2.166 20 30 CEEDMP C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000661116519 415102378 /nfs/dbraw/zinc/10/23/78/415102378.db2.gz YRMLAGKTZSNYTN-FVQBIDKESA-N 2 1 266.429 2.166 20 30 CEEDMP C=CCOc1ccccc1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000414918029 263121401 /nfs/dbraw/zinc/12/14/01/263121401.db2.gz ROTYNGUMMUMZAP-OAHLLOKOSA-N 2 1 260.381 2.483 20 30 CEEDMP C=CCc1cc(C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)cc(OC)c1O ZINC000414947761 263156122 /nfs/dbraw/zinc/15/61/22/263156122.db2.gz LHCGDBNJWSCEKY-SWLSCSKDSA-N 2 1 290.407 2.359 20 30 CEEDMP C=CCc1cc(C[N@@H+](C)CCC[NH2+]C)cc(OC)c1O ZINC000415125453 263273881 /nfs/dbraw/zinc/27/38/81/263273881.db2.gz DYIGGUVPCZUYDK-UHFFFAOYSA-N 2 1 278.396 2.171 20 30 CEEDMP C=CCc1cc(C[N@H+](C)CCC[NH2+]C)cc(OC)c1O ZINC000415125453 263273883 /nfs/dbraw/zinc/27/38/83/263273883.db2.gz DYIGGUVPCZUYDK-UHFFFAOYSA-N 2 1 278.396 2.171 20 30 CEEDMP C=CCOc1ccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000357130040 266252421 /nfs/dbraw/zinc/25/24/21/266252421.db2.gz JJCRJJAUSOWLCI-HZPDHXFCSA-N 2 1 272.392 2.293 20 30 CEEDMP C=CCOc1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000357130040 266252425 /nfs/dbraw/zinc/25/24/25/266252425.db2.gz JJCRJJAUSOWLCI-HZPDHXFCSA-N 2 1 272.392 2.293 20 30 CEEDMP C#C[C@H]([NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C)C(C)C ZINC000368036379 267139063 /nfs/dbraw/zinc/13/90/63/267139063.db2.gz ISJBPTLVWQZEIZ-LTIDMASMSA-N 2 1 278.440 2.123 20 30 CEEDMP C#C[C@H]([NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C)C(C)C ZINC000368036379 267139066 /nfs/dbraw/zinc/13/90/66/267139066.db2.gz ISJBPTLVWQZEIZ-LTIDMASMSA-N 2 1 278.440 2.123 20 30 CEEDMP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000580312092 322309918 /nfs/dbraw/zinc/30/99/18/322309918.db2.gz JSPLGDHJQNHVOZ-SJLPKXTDSA-N 2 1 299.418 2.294 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)[C@@H]2CCOC2)CC1 ZINC000152960062 327305454 /nfs/dbraw/zinc/30/54/54/327305454.db2.gz YJTILOJIZLBWDG-ZIAGYGMSSA-N 2 1 252.402 2.042 20 30 CEEDMP C=CCC[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)C1CC1 ZINC000120441904 330387882 /nfs/dbraw/zinc/38/78/82/330387882.db2.gz HKSJBNZEKYUTDU-MRXNPFEDSA-N 2 1 266.429 2.168 20 30 CEEDMP C#CC[N@@H+](C)CCCN[C@H]1CC[NH+](C)[C@@H](c2ccccc2)C1 ZINC000491164660 332159211 /nfs/dbraw/zinc/15/92/11/332159211.db2.gz DHIFYVHZHDINLV-RBUKOAKNSA-N 2 1 299.462 2.367 20 30 CEEDMP C#CC[NH+](C)CCCN[C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000491164660 332159213 /nfs/dbraw/zinc/15/92/13/332159213.db2.gz DHIFYVHZHDINLV-RBUKOAKNSA-N 2 1 299.462 2.367 20 30 CEEDMP C#CC[NH+](C)CCCN[C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000491164660 332159214 /nfs/dbraw/zinc/15/92/14/332159214.db2.gz DHIFYVHZHDINLV-RBUKOAKNSA-N 2 1 299.462 2.367 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000491209496 332166133 /nfs/dbraw/zinc/16/61/33/332166133.db2.gz IALAJBDNLZMUFP-JLTOFOAXSA-N 2 1 292.448 2.030 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000491209496 332166134 /nfs/dbraw/zinc/16/61/34/332166134.db2.gz IALAJBDNLZMUFP-JLTOFOAXSA-N 2 1 292.448 2.030 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)C1(OC)CCCCC1 ZINC000491747330 332324736 /nfs/dbraw/zinc/32/47/36/332324736.db2.gz QAMLYAAMWGNPPE-HNNXBMFYSA-N 2 1 266.429 2.269 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)C1(OC)CCCCC1 ZINC000491747330 332324737 /nfs/dbraw/zinc/32/47/37/332324737.db2.gz QAMLYAAMWGNPPE-HNNXBMFYSA-N 2 1 266.429 2.269 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)Cc1ccc(OC)cc1 ZINC000380841468 336036474 /nfs/dbraw/zinc/03/64/74/336036474.db2.gz ORFKKFWEQPCXFY-OAHLLOKOSA-N 2 1 274.408 2.171 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)Cc1ccc(OC)cc1 ZINC000380841468 336036476 /nfs/dbraw/zinc/03/64/76/336036476.db2.gz ORFKKFWEQPCXFY-OAHLLOKOSA-N 2 1 274.408 2.171 20 30 CEEDMP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001020676089 622824670 /nfs/dbraw/zinc/82/46/70/622824670.db2.gz QZIOWQNCCPIUHA-BZUAXINKSA-N 2 1 293.455 2.062 20 30 CEEDMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=[NH2+])Nc2ccccn2)C1 ZINC000170913497 627717435 /nfs/dbraw/zinc/71/74/35/627717435.db2.gz JOQLLXFMHLLCLM-OKILXGFUSA-N 2 1 289.427 2.176 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(OCC)cc1 ZINC000327986461 627728419 /nfs/dbraw/zinc/72/84/19/627728419.db2.gz KEOWYRBTTQMXLZ-UHFFFAOYSA-N 2 1 260.381 2.130 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(OCC)cc1 ZINC000327986461 627728422 /nfs/dbraw/zinc/72/84/22/627728422.db2.gz KEOWYRBTTQMXLZ-UHFFFAOYSA-N 2 1 260.381 2.130 20 30 CEEDMP C=CC[C@H](C)[C@@H](C)[NH2+]CCCCC[NH+]1CCNCC1 ZINC000925843691 628946171 /nfs/dbraw/zinc/94/61/71/628946171.db2.gz GXOFTYASIXHFHL-JKSUJKDBSA-N 2 1 267.461 2.252 20 30 CEEDMP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2CC#Cc2ccccc2)C1 ZINC000894497140 629492310 /nfs/dbraw/zinc/49/23/10/629492310.db2.gz USWLTUVYKGUNAS-QZTJIDSGSA-N 2 1 268.404 2.454 20 30 CEEDMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2CC#Cc2ccccc2)C1 ZINC000894497140 629492313 /nfs/dbraw/zinc/49/23/13/629492313.db2.gz USWLTUVYKGUNAS-QZTJIDSGSA-N 2 1 268.404 2.454 20 30 CEEDMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2CC#Cc2ccccc2)C1 ZINC000894497140 629492316 /nfs/dbraw/zinc/49/23/16/629492316.db2.gz USWLTUVYKGUNAS-QZTJIDSGSA-N 2 1 268.404 2.454 20 30 CEEDMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2CC#Cc2ccccc2)C1 ZINC000894497140 629492318 /nfs/dbraw/zinc/49/23/18/629492318.db2.gz USWLTUVYKGUNAS-QZTJIDSGSA-N 2 1 268.404 2.454 20 30 CEEDMP CC[N@@H+](CCNC(=[NH2+])Nc1cccc(C)c1)C(C)C ZINC000303968566 631095514 /nfs/dbraw/zinc/09/55/14/631095514.db2.gz AUVHBMMQNGDHIM-UHFFFAOYSA-N 2 1 262.401 2.452 20 30 CEEDMP C[N@H+]1CCC[C@@]2(CCN(C[C@@H](O)c3ccc(C#N)cc3)C2)C1 ZINC000815146807 632972111 /nfs/dbraw/zinc/97/21/11/632972111.db2.gz UBORSJGSZLCZML-QZTJIDSGSA-N 2 1 299.418 2.009 20 30 CEEDMP C[NH+]1CCC[C@@]2(CC[N@H+](C[C@@H](O)c3ccc(C#N)cc3)C2)C1 ZINC000815146807 632972119 /nfs/dbraw/zinc/97/21/19/632972119.db2.gz UBORSJGSZLCZML-QZTJIDSGSA-N 2 1 299.418 2.009 20 30 CEEDMP C[NH+]1CCC[C@@]2(CC[N@@H+](C[C@@H](O)c3ccc(C#N)cc3)C2)C1 ZINC000815146807 632972124 /nfs/dbraw/zinc/97/21/24/632972124.db2.gz UBORSJGSZLCZML-QZTJIDSGSA-N 2 1 299.418 2.009 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000815652673 633044406 /nfs/dbraw/zinc/04/44/06/633044406.db2.gz MUQBZWBCJZQHCR-SFHVURJKSA-N 2 1 281.403 2.480 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000815652673 633044408 /nfs/dbraw/zinc/04/44/08/633044408.db2.gz MUQBZWBCJZQHCR-SFHVURJKSA-N 2 1 281.403 2.480 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+]CC2(O)CCCCC2)CC1 ZINC000819024005 634043598 /nfs/dbraw/zinc/04/35/98/634043598.db2.gz MBRWGQJJCPYXEN-UHFFFAOYSA-N 2 1 266.429 2.312 20 30 CEEDMP Cc1cc(C#N)cc(C)c1C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000903447303 635133122 /nfs/dbraw/zinc/13/31/22/635133122.db2.gz NUIGOJLCSTXBMJ-DZGCQCFKSA-N 2 1 257.381 2.344 20 30 CEEDMP CC(C)([NH2+]C[C@@H]([NH3+])CC(F)F)c1cccc(C#N)c1 ZINC000903933375 635359833 /nfs/dbraw/zinc/35/98/33/635359833.db2.gz PRVDIZJFPXLMPN-LBPRGKRZSA-N 2 1 267.323 2.365 20 30 CEEDMP C[C@@]1(C[NH+]2CCN(c3ccc(C#N)cc3)CC2)CCC[NH2+]C1 ZINC000904384276 635607009 /nfs/dbraw/zinc/60/70/09/635607009.db2.gz ISJRQACSHZUNLC-GOSISDBHSA-N 2 1 298.434 2.070 20 30 CEEDMP [NH2+]=C(NC[C@@H]1CCC[N@H+]1CC1CCCCC1)NC1CC1 ZINC000068041926 641371116 /nfs/dbraw/zinc/37/11/16/641371116.db2.gz CGYQLCHYVQXYRW-HNNXBMFYSA-N 2 1 278.444 2.098 20 30 CEEDMP C=CCC[C@@H](O)C[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000923413393 643702219 /nfs/dbraw/zinc/70/22/19/643702219.db2.gz FOHRZOCNYPOSNP-HIFRSBDPSA-N 2 1 254.418 2.010 20 30 CEEDMP Cc1cc(C#N)cc(C)c1C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515456 643747549 /nfs/dbraw/zinc/74/75/49/643747549.db2.gz HBMQLINHNBATEP-JKSUJKDBSA-N 2 1 269.392 2.216 20 30 CEEDMP C=CC[NH+]1CCC([NH2+]CC(C)(C)CC(=O)OCC)CC1 ZINC000838934211 644090772 /nfs/dbraw/zinc/09/07/72/644090772.db2.gz VDPIMZOYQNURIO-UHFFFAOYSA-N 2 1 282.428 2.206 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCN(C(C)=O)c2ccccc21 ZINC000857077472 644812356 /nfs/dbraw/zinc/81/23/56/644812356.db2.gz LAXDCYZFKSYRGB-KRWDZBQOSA-N 2 1 299.418 2.029 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCN(C(C)=O)c2ccccc21 ZINC000857077472 644812360 /nfs/dbraw/zinc/81/23/60/644812360.db2.gz LAXDCYZFKSYRGB-KRWDZBQOSA-N 2 1 299.418 2.029 20 30 CEEDMP c1nncn1[NH+]=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000768350302 646112527 /nfs/dbraw/zinc/11/25/27/646112527.db2.gz CXATWXLASIGISJ-IYBDPMFKSA-N 2 1 281.363 2.309 20 30 CEEDMP C#CC[C@H]1CC[N@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000862445432 646463672 /nfs/dbraw/zinc/46/36/72/646463672.db2.gz TVHGYRMCRUKABB-HNNXBMFYSA-N 2 1 280.375 2.421 20 30 CEEDMP CN(C)c1ccc(C#N)cc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000865416840 647284364 /nfs/dbraw/zinc/28/43/64/647284364.db2.gz NZKCRHYWANUBPX-SJORKVTESA-N 2 1 298.434 2.341 20 30 CEEDMP CN(C)c1ccc(C#N)cc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000865416840 647284367 /nfs/dbraw/zinc/28/43/67/647284367.db2.gz NZKCRHYWANUBPX-SJORKVTESA-N 2 1 298.434 2.341 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCc2cc(OC)ccc21 ZINC000866362849 647755394 /nfs/dbraw/zinc/75/53/94/647755394.db2.gz HWFIYASELJPGFF-QGZVFWFLSA-N 2 1 272.392 2.227 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCc2cc(OC)ccc21 ZINC000866362849 647755400 /nfs/dbraw/zinc/75/54/00/647755400.db2.gz HWFIYASELJPGFF-QGZVFWFLSA-N 2 1 272.392 2.227 20 30 CEEDMP C[N@H+]1CC[C@H]([NH2+][C@@H]2Cc3ccc(C#N)cc3C2)[C@@H]2CCC[C@H]21 ZINC000866617584 647844078 /nfs/dbraw/zinc/84/40/78/647844078.db2.gz LTTKQRLGZDCDJL-YDZRNGNQSA-N 2 1 295.430 2.488 20 30 CEEDMP N#Cc1ccc(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)o1 ZINC000878746674 651178329 /nfs/dbraw/zinc/17/83/29/651178329.db2.gz BXCLZRPHJQTRBP-UHFFFAOYSA-N 2 1 282.347 2.259 20 30 CEEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)[C@H]1CC ZINC001087593726 805758650 /nfs/dbraw/zinc/75/86/50/805758650.db2.gz SWFYDLHZANVEAF-XHSDSOJGSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2CCC)[C@H]1CC ZINC001087593726 805758656 /nfs/dbraw/zinc/75/86/56/805758656.db2.gz SWFYDLHZANVEAF-XHSDSOJGSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2CCC)[C@H]1CC ZINC001087593726 805758658 /nfs/dbraw/zinc/75/86/58/805758658.db2.gz SWFYDLHZANVEAF-XHSDSOJGSA-N 2 1 293.455 2.016 20 30 CEEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)[C@H]1C ZINC001088605183 806505179 /nfs/dbraw/zinc/50/51/79/806505179.db2.gz KHRMKJPXQYRDKS-OWCLPIDISA-N 2 1 293.455 2.016 20 30 CEEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2CCC)[C@H]1C ZINC001088605183 806505186 /nfs/dbraw/zinc/50/51/86/806505186.db2.gz KHRMKJPXQYRDKS-OWCLPIDISA-N 2 1 293.455 2.016 20 30 CEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2CCC)[C@H]1C ZINC001088605183 806505192 /nfs/dbraw/zinc/50/51/92/806505192.db2.gz KHRMKJPXQYRDKS-OWCLPIDISA-N 2 1 293.455 2.016 20 30 CEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H]1C ZINC001088791829 806723551 /nfs/dbraw/zinc/72/35/51/806723551.db2.gz FRCONZQKDLIUHF-CABCVRRESA-N 2 1 293.455 2.016 20 30 CEEDMP C=CC[N@H+](C)C[C@@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001266472518 802619744 /nfs/dbraw/zinc/61/97/44/802619744.db2.gz LJHNVPOGQOBUSS-INIZCTEOSA-N 2 1 295.471 2.075 20 30 CEEDMP C=C(C)CC[N@@H+]1CCCC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001266852886 802942080 /nfs/dbraw/zinc/94/20/80/802942080.db2.gz ARQSRECJWCMHQD-MRXNPFEDSA-N 2 1 295.471 2.265 20 30 CEEDMP C=C(C)C[NH+]1CCC[C@@H]([C@@H](C)NC(=O)C[N@H+](C)CCC)C1 ZINC001266897265 802975760 /nfs/dbraw/zinc/97/57/60/802975760.db2.gz MBGYJKCENZWYSQ-HZPDHXFCSA-N 2 1 295.471 2.121 20 30 CEEDMP C=C(C)C[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)C[NH+](C)CCC)C1 ZINC001266897265 802975764 /nfs/dbraw/zinc/97/57/64/802975764.db2.gz MBGYJKCENZWYSQ-HZPDHXFCSA-N 2 1 295.471 2.121 20 30 CEEDMP C=C(C)C[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C[NH+](C)CCC)C1 ZINC001266897265 802975769 /nfs/dbraw/zinc/97/57/69/802975769.db2.gz MBGYJKCENZWYSQ-HZPDHXFCSA-N 2 1 295.471 2.121 20 30 CEEDMP C=CCC[C@@H](C)[N@@H+](CC)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001267241632 803279979 /nfs/dbraw/zinc/27/99/79/803279979.db2.gz FGRSQSBGZGESRI-BZUAXINKSA-N 2 1 295.471 2.119 20 30 CEEDMP C=CCC[C@@H](C)[NH+](CC)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001267241632 803279981 /nfs/dbraw/zinc/27/99/81/803279981.db2.gz FGRSQSBGZGESRI-BZUAXINKSA-N 2 1 295.471 2.119 20 30 CEEDMP C=CCC[C@@H](C)[NH+](CC)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001267241632 803279986 /nfs/dbraw/zinc/27/99/86/803279986.db2.gz FGRSQSBGZGESRI-BZUAXINKSA-N 2 1 295.471 2.119 20 30 CEEDMP C=CCCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001267790189 803735414 /nfs/dbraw/zinc/73/54/14/803735414.db2.gz NSGNJCVXKBSYRZ-JKSUJKDBSA-N 2 1 295.471 2.216 20 30 CEEDMP C=C(C)C[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2C)CCCC1 ZINC001268034877 804161643 /nfs/dbraw/zinc/16/16/43/804161643.db2.gz QTCMLEFFIIKNGJ-OAHLLOKOSA-N 2 1 293.455 2.065 20 30 CEEDMP C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001028001903 804390575 /nfs/dbraw/zinc/39/05/75/804390575.db2.gz AKOMKQJWNRRMJX-HNNXBMFYSA-N 2 1 298.390 2.105 20 30 CEEDMP C=C(C)C[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@@H+]1CC)C(C)C ZINC001268228838 804556339 /nfs/dbraw/zinc/55/63/39/804556339.db2.gz XNLZLJZXROXRIA-HZPDHXFCSA-N 2 1 295.471 2.167 20 30 CEEDMP C=CCC[C@H](C)[NH+]1CC[C@@H](N(C)C(=O)CC[N@H+](C)CC)C1 ZINC001269287836 805114518 /nfs/dbraw/zinc/11/45/18/805114518.db2.gz NIUCVMFNIROROJ-JKSUJKDBSA-N 2 1 295.471 2.216 20 30 CEEDMP C=CCC[C@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)CC)C1 ZINC001269287836 805114523 /nfs/dbraw/zinc/11/45/23/805114523.db2.gz NIUCVMFNIROROJ-JKSUJKDBSA-N 2 1 295.471 2.216 20 30 CEEDMP C=CCC[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)CC)C1 ZINC001269287836 805114524 /nfs/dbraw/zinc/11/45/24/805114524.db2.gz NIUCVMFNIROROJ-JKSUJKDBSA-N 2 1 295.471 2.216 20 30 CEEDMP C#CC[C@H](CO)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716625146 815137289 /nfs/dbraw/zinc/13/72/89/815137289.db2.gz LZKPLWRMRCZQEC-MANSERQUSA-N 2 1 298.430 2.013 20 30 CEEDMP C[C@H]1C[N@@H+](Cc2c[nH]c3ccc(C#N)cc23)C[C@H]1C[NH3+] ZINC001205141110 807791940 /nfs/dbraw/zinc/79/19/40/807791940.db2.gz WGTFVGWPBRUYLF-WCQYABFASA-N 2 1 268.364 2.066 20 30 CEEDMP C=CC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001034537987 809628527 /nfs/dbraw/zinc/62/85/27/809628527.db2.gz GVJJBWBFKMEADY-JKSUJKDBSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001034537987 809628533 /nfs/dbraw/zinc/62/85/33/809628533.db2.gz GVJJBWBFKMEADY-JKSUJKDBSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001085217601 810697155 /nfs/dbraw/zinc/69/71/55/810697155.db2.gz ITQQSLNWKYJFTR-OAGGEKHMSA-N 2 1 293.455 2.064 20 30 CEEDMP C=C(C)C[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001038781697 810912692 /nfs/dbraw/zinc/91/26/92/810912692.db2.gz PXNLZTSOLOGWQD-CVEARBPZSA-N 2 1 293.455 2.016 20 30 CEEDMP C=C(C)C[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001038781697 810912696 /nfs/dbraw/zinc/91/26/96/810912696.db2.gz PXNLZTSOLOGWQD-CVEARBPZSA-N 2 1 293.455 2.016 20 30 CEEDMP C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001038781697 810912699 /nfs/dbraw/zinc/91/26/99/810912699.db2.gz PXNLZTSOLOGWQD-CVEARBPZSA-N 2 1 293.455 2.016 20 30 CEEDMP C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001038781697 810912703 /nfs/dbraw/zinc/91/27/03/810912703.db2.gz PXNLZTSOLOGWQD-CVEARBPZSA-N 2 1 293.455 2.016 20 30 CEEDMP Cc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)cc1C#N ZINC001206175704 815515104 /nfs/dbraw/zinc/51/51/04/815515104.db2.gz XGBJFYSZGDLXSO-LSDHHAIUSA-N 2 1 261.344 2.128 20 30 CEEDMP Cc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)cc1C#N ZINC001206175704 815515106 /nfs/dbraw/zinc/51/51/06/815515106.db2.gz XGBJFYSZGDLXSO-LSDHHAIUSA-N 2 1 261.344 2.128 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+]Cc1c[nH]nc1-c1cccs1 ZINC000392920405 813310058 /nfs/dbraw/zinc/31/00/58/813310058.db2.gz DSHGPPNONPVDPR-UHFFFAOYSA-N 2 1 288.420 2.183 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1c[nH]nc1-c1cccs1 ZINC000392920405 813310061 /nfs/dbraw/zinc/31/00/61/813310061.db2.gz DSHGPPNONPVDPR-UHFFFAOYSA-N 2 1 288.420 2.183 20 30 CEEDMP C=C(C)CC[NH2+][C@@H](C)C[C@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001135029469 813356205 /nfs/dbraw/zinc/35/62/05/813356205.db2.gz NOHVYKVLGIYHAW-KBPBESRZSA-N 2 1 292.427 2.031 20 30 CEEDMP C=CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001170877317 813585774 /nfs/dbraw/zinc/58/57/74/813585774.db2.gz BCAMPVUPLDKSHD-HRCADAONSA-N 2 1 295.471 2.167 20 30 CEEDMP C=CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC[NH+](C)C ZINC001099215623 813995596 /nfs/dbraw/zinc/99/55/96/813995596.db2.gz XKBILDROUIZJTL-HNNXBMFYSA-N 2 1 295.471 2.121 20 30 CEEDMP COCC[NH+]1CCC([NH2+]C2CCC(CC#N)CC2)CC1 ZINC001173333363 815678809 /nfs/dbraw/zinc/67/88/09/815678809.db2.gz HRMLTJQJONUWOU-UHFFFAOYSA-N 2 1 279.428 2.159 20 30 CEEDMP C[NH+]1CC[C@@]2(CC[N@@H+](C3CCC(CC#N)CC3)C2)C1 ZINC001173336543 815679993 /nfs/dbraw/zinc/67/99/93/815679993.db2.gz CZKCOOBUQVLWQM-UYSNPLJNSA-N 2 1 261.413 2.486 20 30 CEEDMP C[NH+]1CC[C@@]2(CC[N@H+](C3CCC(CC#N)CC3)C2)C1 ZINC001173336543 815680000 /nfs/dbraw/zinc/68/00/00/815680000.db2.gz CZKCOOBUQVLWQM-UYSNPLJNSA-N 2 1 261.413 2.486 20 30 CEEDMP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001175262713 816164700 /nfs/dbraw/zinc/16/47/00/816164700.db2.gz KIKRMZHDIWEPGV-HZPDHXFCSA-N 2 1 295.471 2.169 20 30 CEEDMP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)CC[N@H+](C)CC ZINC001176024130 816326602 /nfs/dbraw/zinc/32/66/02/816326602.db2.gz LREDMIOVVVKTLL-OAHLLOKOSA-N 2 1 283.460 2.169 20 30 CEEDMP C=CC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001178468054 816750668 /nfs/dbraw/zinc/75/06/68/816750668.db2.gz NOWPGTKAMRMONK-INIZCTEOSA-N 2 1 295.471 2.311 20 30 CEEDMP Cc1ccc(C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)cc1C#N ZINC000601334773 346823700 /nfs/dbraw/zinc/82/37/00/346823700.db2.gz NPQKKVPUJQZOQM-DOTOQJQBSA-N 2 1 269.392 2.441 20 30 CEEDMP Cc1ccc(C[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)cc1C#N ZINC000601334773 346823701 /nfs/dbraw/zinc/82/37/01/346823701.db2.gz NPQKKVPUJQZOQM-DOTOQJQBSA-N 2 1 269.392 2.441 20 30 CEEDMP C=CCNC(=[NH2+])NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000066243792 343709970 /nfs/dbraw/zinc/70/99/70/343709970.db2.gz JOHUCJCSXJXOML-MRXNPFEDSA-N 2 1 286.423 2.131 20 30 CEEDMP CNC(=[NH2+])NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000076105956 343880162 /nfs/dbraw/zinc/88/01/62/343880162.db2.gz NRGPCHOUKYARHC-OKILXGFUSA-N 2 1 288.439 2.199 20 30 CEEDMP C=CC[NH+]1CCC([NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000602541152 347070979 /nfs/dbraw/zinc/07/09/79/347070979.db2.gz VQAOAXFJXSKBNE-UHFFFAOYSA-N 2 1 289.379 2.377 20 30 CEEDMP N#Cc1ccc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)cc1 ZINC000592471349 345358407 /nfs/dbraw/zinc/35/84/07/345358407.db2.gz XZWRKJBNROOSGA-UHFFFAOYSA-N 2 1 255.365 2.275 20 30 CEEDMP N#Cc1cnccc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592492193 345360022 /nfs/dbraw/zinc/36/00/22/345360022.db2.gz VOUXQIMSMVBRHM-CABCVRRESA-N 2 1 284.407 2.165 20 30 CEEDMP CC(C)C[N@H+](C)CCC[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000593645852 345515780 /nfs/dbraw/zinc/51/57/80/345515780.db2.gz LDWFRPODEBIFQB-UHFFFAOYSA-N 2 1 299.422 2.273 20 30 CEEDMP CC(C)C[N@@H+](C)CCC[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000593645852 345515785 /nfs/dbraw/zinc/51/57/85/345515785.db2.gz LDWFRPODEBIFQB-UHFFFAOYSA-N 2 1 299.422 2.273 20 30 CEEDMP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CCOc1cccc(C#N)c1)C2 ZINC000595508884 345798995 /nfs/dbraw/zinc/79/89/95/345798995.db2.gz ZIDBCYISRAHZJZ-SFHVURJKSA-N 2 1 299.418 2.355 20 30 CEEDMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CCOc1cccc(C#N)c1)C2 ZINC000595508884 345799000 /nfs/dbraw/zinc/79/90/00/345799000.db2.gz ZIDBCYISRAHZJZ-SFHVURJKSA-N 2 1 299.418 2.355 20 30 CEEDMP C[NH+]1CC[C@]2(C1)CCC[N@H+](CCOc1cccc(C#N)c1)C2 ZINC000595508884 345799003 /nfs/dbraw/zinc/79/90/03/345799003.db2.gz ZIDBCYISRAHZJZ-SFHVURJKSA-N 2 1 299.418 2.355 20 30 CEEDMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CCOc1cccc(C#N)c1)C2 ZINC000595508884 345799005 /nfs/dbraw/zinc/79/90/05/345799005.db2.gz ZIDBCYISRAHZJZ-SFHVURJKSA-N 2 1 299.418 2.355 20 30 CEEDMP Cc1nn(-c2ccncc2)cc1CN1CC[C@@](C)(C#N)C1 ZINC000597232879 346156939 /nfs/dbraw/zinc/15/69/39/346156939.db2.gz XMUJISOSGQESHV-INIZCTEOSA-N 2 1 281.363 2.311 20 30 CEEDMP C[C@@H]1CC[C@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C[NH2+]1 ZINC000600710528 346675988 /nfs/dbraw/zinc/67/59/88/346675988.db2.gz ODKBTJQAEGFTAJ-PBHICJAKSA-N 2 1 298.434 2.257 20 30 CEEDMP CC(C)[NH+]1CCN(CCC[N@@H+](C)[C@@H]2CCC[C@@H]2C#N)CC1 ZINC000602981017 347264168 /nfs/dbraw/zinc/26/41/68/347264168.db2.gz YQSRXFBGXJMZOE-IAGOWNOFSA-N 2 1 292.471 2.027 20 30 CEEDMP COc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1C#N ZINC000090714547 180028685 /nfs/dbraw/zinc/02/86/85/180028685.db2.gz KLTVUDBLSLXXCD-JKSUJKDBSA-N 2 1 285.391 2.283 20 30 CEEDMP COc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1C#N ZINC000090714547 180028686 /nfs/dbraw/zinc/02/86/86/180028686.db2.gz KLTVUDBLSLXXCD-JKSUJKDBSA-N 2 1 285.391 2.283 20 30 CEEDMP C#CC[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000306682618 539800288 /nfs/dbraw/zinc/80/02/88/539800288.db2.gz RWXBEDFMNLAQMR-DLBZAZTESA-N 2 1 254.377 2.074 20 30 CEEDMP C#CC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000306682618 539800293 /nfs/dbraw/zinc/80/02/93/539800293.db2.gz RWXBEDFMNLAQMR-DLBZAZTESA-N 2 1 254.377 2.074 20 30 CEEDMP C#CC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000306682618 539800294 /nfs/dbraw/zinc/80/02/94/539800294.db2.gz RWXBEDFMNLAQMR-DLBZAZTESA-N 2 1 254.377 2.074 20 30 CEEDMP C#CC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000306682618 539800299 /nfs/dbraw/zinc/80/02/99/539800299.db2.gz RWXBEDFMNLAQMR-DLBZAZTESA-N 2 1 254.377 2.074 20 30 CEEDMP N#Cc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000107775337 186190147 /nfs/dbraw/zinc/19/01/47/186190147.db2.gz VNKUNRHRLDLSKF-JKSUJKDBSA-N 2 1 255.365 2.275 20 30 CEEDMP N#Cc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000107775337 186190149 /nfs/dbraw/zinc/19/01/49/186190149.db2.gz VNKUNRHRLDLSKF-JKSUJKDBSA-N 2 1 255.365 2.275 20 30 CEEDMP C=CCOc1ccc(C[N@@H+](C)CCOCC[NH3+])cc1Cl ZINC000629662421 351456424 /nfs/dbraw/zinc/45/64/24/351456424.db2.gz HXYQMWDVLMPIGI-UHFFFAOYSA-N 2 1 298.814 2.312 20 30 CEEDMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCOc1ccc(C#N)cc1 ZINC000133651436 366244042 /nfs/dbraw/zinc/24/40/42/366244042.db2.gz HHDAAYUFUAXDOP-CPUCHLNUSA-N 2 1 287.407 2.255 20 30 CEEDMP C[C@@H]1CC[N@@H+](CCN[C@H]2CCc3ccc(C#N)cc32)C1 ZINC000570193044 299244237 /nfs/dbraw/zinc/24/42/37/299244237.db2.gz RGPXWNRPMHOOKD-DYVFJYSZSA-N 2 1 269.392 2.477 20 30 CEEDMP N#Cc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)s1 ZINC000135680814 366467468 /nfs/dbraw/zinc/46/74/68/366467468.db2.gz YTZSJSGDWFHBRR-VXGBXAGGSA-N 2 1 261.394 2.336 20 30 CEEDMP N#Cc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)s1 ZINC000135680814 366467471 /nfs/dbraw/zinc/46/74/71/366467471.db2.gz YTZSJSGDWFHBRR-VXGBXAGGSA-N 2 1 261.394 2.336 20 30 CEEDMP C=C(C)[C@H](CO)[NH+]1CCC(C[N@H+](C)CCCC)CC1 ZINC000677477621 541018436 /nfs/dbraw/zinc/01/84/36/541018436.db2.gz ONHUZAFUWCSSGA-INIZCTEOSA-N 2 1 268.445 2.367 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)CC(=O)N(CC)CC)CC1 ZINC000153028473 366726359 /nfs/dbraw/zinc/72/63/59/366726359.db2.gz RHFMFWCZLKRXTE-OAHLLOKOSA-N 2 1 295.471 2.264 20 30 CEEDMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(C#N)cs2)C1 ZINC000093492569 364191251 /nfs/dbraw/zinc/19/12/51/364191251.db2.gz NHJMSHAJPASSDX-LBPRGKRZSA-N 2 1 263.410 2.440 20 30 CEEDMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cc(C#N)cs2)C1 ZINC000093492569 364191254 /nfs/dbraw/zinc/19/12/54/364191254.db2.gz NHJMSHAJPASSDX-LBPRGKRZSA-N 2 1 263.410 2.440 20 30 CEEDMP N#Cc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1F ZINC000334738432 364252650 /nfs/dbraw/zinc/25/26/50/364252650.db2.gz LJMJJIBNFYDWHA-GJZGRUSLSA-N 2 1 273.355 2.414 20 30 CEEDMP N#Cc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1F ZINC000334738432 364252657 /nfs/dbraw/zinc/25/26/57/364252657.db2.gz LJMJJIBNFYDWHA-GJZGRUSLSA-N 2 1 273.355 2.414 20 30 CEEDMP C[N@H+]1CCC[C@H]2C[NH+](CCCSCC#N)CC[C@@H]21 ZINC000158748327 366860279 /nfs/dbraw/zinc/86/02/79/366860279.db2.gz RZCUEAOXLLILQV-KBPBESRZSA-N 2 1 267.442 2.049 20 30 CEEDMP C[NH+]1CCC[C@H]2C[N@H+](CCCSCC#N)CC[C@@H]21 ZINC000158748327 366860284 /nfs/dbraw/zinc/86/02/84/366860284.db2.gz RZCUEAOXLLILQV-KBPBESRZSA-N 2 1 267.442 2.049 20 30 CEEDMP C[NH+]1CCC[C@H]2C[N@@H+](CCCSCC#N)CC[C@@H]21 ZINC000158748327 366860288 /nfs/dbraw/zinc/86/02/88/366860288.db2.gz RZCUEAOXLLILQV-KBPBESRZSA-N 2 1 267.442 2.049 20 30 CEEDMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCc1cccc(C#N)c1 ZINC000343592284 367903320 /nfs/dbraw/zinc/90/33/20/367903320.db2.gz HYRSDSXKDVUZJK-JKIFEVAISA-N 2 1 271.408 2.419 20 30 CEEDMP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000353594748 370117916 /nfs/dbraw/zinc/11/79/16/370117916.db2.gz NNNXODHNJMPFSY-ALYAQQCSSA-N 2 1 278.440 2.430 20 30 CEEDMP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cccc(C#N)c3)CC[C@H]21 ZINC000227336065 370368003 /nfs/dbraw/zinc/36/80/03/370368003.db2.gz QJKWNOFIAGSDKN-IAGOWNOFSA-N 2 1 269.392 2.474 20 30 CEEDMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cccc(C#N)c3)CC[C@H]21 ZINC000227336065 370368008 /nfs/dbraw/zinc/36/80/08/370368008.db2.gz QJKWNOFIAGSDKN-IAGOWNOFSA-N 2 1 269.392 2.474 20 30 CEEDMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cccc(C#N)c3)CC[C@H]21 ZINC000227336065 370368014 /nfs/dbraw/zinc/36/80/14/370368014.db2.gz QJKWNOFIAGSDKN-IAGOWNOFSA-N 2 1 269.392 2.474 20 30 CEEDMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)CC[C@H]21 ZINC000227336065 370368019 /nfs/dbraw/zinc/36/80/19/370368019.db2.gz QJKWNOFIAGSDKN-IAGOWNOFSA-N 2 1 269.392 2.474 20 30 CEEDMP COc1cc(C[N@H+]2CCC[C@H](CC[NH3+])C2)ccc1C#N ZINC000234979144 370551794 /nfs/dbraw/zinc/55/17/94/370551794.db2.gz FBPREGFIHBSKAD-CYBMUJFWSA-N 2 1 273.380 2.128 20 30 CEEDMP C=CC[NH+]1CCC([NH2+]C[C@@](C)(OC)C2CC2)CC1 ZINC000638524829 370590424 /nfs/dbraw/zinc/59/04/24/370590424.db2.gz SQTKEKVMWAZOBP-OAHLLOKOSA-N 2 1 252.402 2.042 20 30 CEEDMP CCCNC(=[NH2+])NC[C@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000264326110 371992778 /nfs/dbraw/zinc/99/27/78/371992778.db2.gz YUYLIYSBARQPSW-CYBMUJFWSA-N 2 1 278.400 2.039 20 30 CEEDMP COCC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000271928426 373221848 /nfs/dbraw/zinc/22/18/48/373221848.db2.gz KBRFKCZIJKRNAL-CYBMUJFWSA-N 2 1 293.386 2.316 20 30 CEEDMP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000271928426 373221857 /nfs/dbraw/zinc/22/18/57/373221857.db2.gz KBRFKCZIJKRNAL-CYBMUJFWSA-N 2 1 293.386 2.316 20 30 CEEDMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(C#N)cc1 ZINC000276629195 374242864 /nfs/dbraw/zinc/24/28/64/374242864.db2.gz JBTHJCCURQKXOT-LBPRGKRZSA-N 2 1 254.337 2.185 20 30 CEEDMP CC(C)[NH+]1CCC([N@H+](C)Cc2cc(C#N)n(C)c2)CC1 ZINC000276804468 374305424 /nfs/dbraw/zinc/30/54/24/374305424.db2.gz WKXOVYWIEUHMEO-UHFFFAOYSA-N 2 1 274.412 2.201 20 30 CEEDMP CC(C)[NH+]1CCC([N@@H+](C)Cc2cc(C#N)n(C)c2)CC1 ZINC000276804468 374305434 /nfs/dbraw/zinc/30/54/34/374305434.db2.gz WKXOVYWIEUHMEO-UHFFFAOYSA-N 2 1 274.412 2.201 20 30 CEEDMP COc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)ccc1C#N ZINC000289853216 376529797 /nfs/dbraw/zinc/52/97/97/376529797.db2.gz QONYXYDDXOBJHS-MQVJKMGUSA-N 2 1 285.391 2.282 20 30 CEEDMP COc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1C#N ZINC000289853216 376529805 /nfs/dbraw/zinc/52/98/05/376529805.db2.gz QONYXYDDXOBJHS-MQVJKMGUSA-N 2 1 285.391 2.282 20 30 CEEDMP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccc(C#N)o2)C1 ZINC000290303342 376724570 /nfs/dbraw/zinc/72/45/70/376724570.db2.gz BMOBFALAZRCPBS-DOMZBBRYSA-N 2 1 259.353 2.067 20 30 CEEDMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccc(C#N)o2)C1 ZINC000290303342 376724574 /nfs/dbraw/zinc/72/45/74/376724574.db2.gz BMOBFALAZRCPBS-DOMZBBRYSA-N 2 1 259.353 2.067 20 30 CEEDMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccc(C#N)o2)C1 ZINC000290303342 376724584 /nfs/dbraw/zinc/72/45/84/376724584.db2.gz BMOBFALAZRCPBS-DOMZBBRYSA-N 2 1 259.353 2.067 20 30 CEEDMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccc(C#N)o2)C1 ZINC000290303342 376724588 /nfs/dbraw/zinc/72/45/88/376724588.db2.gz BMOBFALAZRCPBS-DOMZBBRYSA-N 2 1 259.353 2.067 20 30 CEEDMP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccc(C#N)o2)C1 ZINC000290303388 376725051 /nfs/dbraw/zinc/72/50/51/376725051.db2.gz BMOBFALAZRCPBS-WFASDCNBSA-N 2 1 259.353 2.067 20 30 CEEDMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccc(C#N)o2)C1 ZINC000290303388 376725054 /nfs/dbraw/zinc/72/50/54/376725054.db2.gz BMOBFALAZRCPBS-WFASDCNBSA-N 2 1 259.353 2.067 20 30 CEEDMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccc(C#N)o2)C1 ZINC000290303388 376725058 /nfs/dbraw/zinc/72/50/58/376725058.db2.gz BMOBFALAZRCPBS-WFASDCNBSA-N 2 1 259.353 2.067 20 30 CEEDMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccc(C#N)o2)C1 ZINC000290303388 376725061 /nfs/dbraw/zinc/72/50/61/376725061.db2.gz BMOBFALAZRCPBS-WFASDCNBSA-N 2 1 259.353 2.067 20 30 CEEDMP C[N@H+]1CCC[C@@]2(CCN(CCOc3ccccc3C#N)C2)C1 ZINC000292834815 377304741 /nfs/dbraw/zinc/30/47/41/377304741.db2.gz ASERGQNTPSKHAF-GOSISDBHSA-N 2 1 299.418 2.355 20 30 CEEDMP C[N@@H+]1CCC[C@@]2(CC[NH+](CCOc3ccccc3C#N)C2)C1 ZINC000292834815 377304747 /nfs/dbraw/zinc/30/47/47/377304747.db2.gz ASERGQNTPSKHAF-GOSISDBHSA-N 2 1 299.418 2.355 20 30 CEEDMP C[N@H+]1CCC[C@@]2(CC[NH+](CCOc3ccccc3C#N)C2)C1 ZINC000292834815 377304751 /nfs/dbraw/zinc/30/47/51/377304751.db2.gz ASERGQNTPSKHAF-GOSISDBHSA-N 2 1 299.418 2.355 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCc2c1ccc(OC)c2F ZINC000295001453 378034024 /nfs/dbraw/zinc/03/40/24/378034024.db2.gz MBAZYIMXRPEEJV-OAHLLOKOSA-N 2 1 290.382 2.366 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCc2c1ccc(OC)c2F ZINC000295001453 378034031 /nfs/dbraw/zinc/03/40/31/378034031.db2.gz MBAZYIMXRPEEJV-OAHLLOKOSA-N 2 1 290.382 2.366 20 30 CEEDMP C#CCOc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000266175959 190237510 /nfs/dbraw/zinc/23/75/10/190237510.db2.gz SWGORTCJVVEQMU-HOCLYGCPSA-N 2 1 272.392 2.271 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](O)CCC(C)C)CC1 ZINC000518517597 379387268 /nfs/dbraw/zinc/38/72/68/379387268.db2.gz DDLVHGJTHAUJLQ-MRXNPFEDSA-N 2 1 268.445 2.414 20 30 CEEDMP CCCNC(=[NH2+])NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000304800890 379597493 /nfs/dbraw/zinc/59/74/93/379597493.db2.gz OVGVRXUXJKSCKB-TZMCWYRMSA-N 2 1 294.468 2.445 20 30 CEEDMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(C#N)c(F)c1 ZINC000530407447 380202156 /nfs/dbraw/zinc/20/21/56/380202156.db2.gz IXQAYKUVHDHNND-NSHDSACASA-N 2 1 272.327 2.324 20 30 CEEDMP COc1cc(C[NH2+]CCCn2cc[nH+]c2C)ccc1C#N ZINC000281615666 195309793 /nfs/dbraw/zinc/30/97/93/195309793.db2.gz HBQRABYFBAIQSA-UHFFFAOYSA-N 2 1 284.363 2.252 20 30 CEEDMP CC1CCN(C(=[NH2+])NCC[N@@H+](C)C2CCCCC2)CC1 ZINC000303252063 394479157 /nfs/dbraw/zinc/47/91/57/394479157.db2.gz AZGZBRSWRVOJOR-UHFFFAOYSA-N 2 1 280.460 2.298 20 30 CEEDMP C=C(C)CNC(=[NH2+])NCc1cccc(C[N@H+](C)CC)c1 ZINC000104178428 394718877 /nfs/dbraw/zinc/71/88/77/394718877.db2.gz GMXUIXYRKIWFNJ-UHFFFAOYSA-N 2 1 274.412 2.119 20 30 CEEDMP COc1cc(C[NH2+]CC2([NH3+])CCCCC2)ccc1C#N ZINC000414842276 394765850 /nfs/dbraw/zinc/76/58/50/394765850.db2.gz MDONTNUWRYKWHW-UHFFFAOYSA-N 2 1 273.380 2.318 20 30 CEEDMP C=CCCOCC[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000362309840 394852687 /nfs/dbraw/zinc/85/26/87/394852687.db2.gz NYKBQXMUQWFGOI-BRWVUGGUSA-N 2 1 296.455 2.058 20 30 CEEDMP CC1CC[NH+](C[C@@H]2CCC[N@H+](CCOCCC#N)C2)CC1 ZINC000338943160 394934262 /nfs/dbraw/zinc/93/42/62/394934262.db2.gz UEYSSOAINMEVCW-QGZVFWFLSA-N 2 1 293.455 2.361 20 30 CEEDMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CCOCCC#N)C2)CC1 ZINC000338943160 394934266 /nfs/dbraw/zinc/93/42/66/394934266.db2.gz UEYSSOAINMEVCW-QGZVFWFLSA-N 2 1 293.455 2.361 20 30 CEEDMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+]([C@@H]2CC[C@H](C#N)C2)C1 ZINC000339011640 394936085 /nfs/dbraw/zinc/93/60/85/394936085.db2.gz VUWZWBXIDIWZSI-HRCADAONSA-N 2 1 261.413 2.342 20 30 CEEDMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+]([C@@H]2CC[C@H](C#N)C2)C1 ZINC000339011640 394936086 /nfs/dbraw/zinc/93/60/86/394936086.db2.gz VUWZWBXIDIWZSI-HRCADAONSA-N 2 1 261.413 2.342 20 30 CEEDMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+]([C@@H]2CC[C@H](C#N)C2)C1 ZINC000339011640 394936090 /nfs/dbraw/zinc/93/60/90/394936090.db2.gz VUWZWBXIDIWZSI-HRCADAONSA-N 2 1 261.413 2.342 20 30 CEEDMP CCC[N@@H+](CCN1CC[NH+](CC)CC1)[C@@H]1CC[C@@H](C#N)C1 ZINC000339202066 394950971 /nfs/dbraw/zinc/95/09/71/394950971.db2.gz GQXFZPPSPUSVBI-IAGOWNOFSA-N 2 1 292.471 2.028 20 30 CEEDMP C=C[C@H](CO)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000289647485 395082559 /nfs/dbraw/zinc/08/25/59/395082559.db2.gz GBCCAITUKPVGTN-TVFCKZIOSA-N 2 1 286.419 2.319 20 30 CEEDMP CC[N@H+](C)C[C@H]1CC[NH+](CCOc2ccccc2C#N)C1 ZINC000173902224 395117678 /nfs/dbraw/zinc/11/76/78/395117678.db2.gz BCUPKQCGIKHIJN-OAHLLOKOSA-N 2 1 287.407 2.211 20 30 CEEDMP CC[N@@H+](C)C[C@H]1CC[NH+](CCOc2ccccc2C#N)C1 ZINC000173902224 395117680 /nfs/dbraw/zinc/11/76/80/395117680.db2.gz BCUPKQCGIKHIJN-OAHLLOKOSA-N 2 1 287.407 2.211 20 30 CEEDMP CC[NH+](C)C[C@H]1CC[N@H+](CCOc2ccccc2C#N)C1 ZINC000173902224 395117684 /nfs/dbraw/zinc/11/76/84/395117684.db2.gz BCUPKQCGIKHIJN-OAHLLOKOSA-N 2 1 287.407 2.211 20 30 CEEDMP CC[NH+](C)C[C@H]1CC[N@@H+](CCOc2ccccc2C#N)C1 ZINC000173902224 395117685 /nfs/dbraw/zinc/11/76/85/395117685.db2.gz BCUPKQCGIKHIJN-OAHLLOKOSA-N 2 1 287.407 2.211 20 30 CEEDMP C[C@H](C#N)C[NH+](C)CCCCC[N@H+](C)C[C@H](C)C#N ZINC000354246044 395323676 /nfs/dbraw/zinc/32/36/76/395323676.db2.gz YHNJCMORBFIHRN-HUUCEWRRSA-N 2 1 264.417 2.340 20 30 CEEDMP C=C(C)C[NH+]1CCC(N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)CC1 ZINC000352901164 395274186 /nfs/dbraw/zinc/27/41/86/395274186.db2.gz LASJJNQERVQVMU-WMLDXEAASA-N 2 1 277.456 2.099 20 30 CEEDMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC000040621524 174355184 /nfs/dbraw/zinc/35/51/84/174355184.db2.gz PIBAVHXMJLTVKM-INIZCTEOSA-N 2 1 257.381 2.378 20 30 CEEDMP C=CC[N@@H+](CCC[NH+]1CCCCC1)[C@@H](C)COC ZINC000661239334 415152098 /nfs/dbraw/zinc/15/20/98/415152098.db2.gz FVUWVUWZJRHVKG-HNNXBMFYSA-N 2 1 254.418 2.385 20 30 CEEDMP C=CC[N@H+](CCC[NH+]1CCCCC1)[C@@H](C)COC ZINC000661239334 415152103 /nfs/dbraw/zinc/15/21/03/415152103.db2.gz FVUWVUWZJRHVKG-HNNXBMFYSA-N 2 1 254.418 2.385 20 30 CEEDMP C=CC[N@H+](Cc1ccccc1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662252321 415714040 /nfs/dbraw/zinc/71/40/40/415714040.db2.gz PGQXWRLPNHDVNJ-INIZCTEOSA-N 2 1 272.392 2.196 20 30 CEEDMP C=CC[N@@H+](C[C@H](C[NH3+])c1ccc(OC)cc1)[C@@H](C)COC ZINC000662299415 415761780 /nfs/dbraw/zinc/76/17/80/415761780.db2.gz PHJANLTZALTPPW-HOCLYGCPSA-N 2 1 292.423 2.260 20 30 CEEDMP Cc1cc(N2CCC([NH2+][C@@H]3CC[C@@H](C#N)C3)CC2)nc(C)[nH+]1 ZINC000333075961 228189434 /nfs/dbraw/zinc/18/94/34/228189434.db2.gz LCLFNQLFWWRQJK-GDBMZVCRSA-N 2 1 299.422 2.344 20 30 CEEDMP C[N@H+]1CCC[C@@H]1CNC1CC(C#N)(c2ccccc2)C1 ZINC000126180437 260345890 /nfs/dbraw/zinc/34/58/90/260345890.db2.gz JXNJBWBYZRVMRJ-AQFXKWCLSA-N 2 1 269.392 2.294 20 30 CEEDMP C[C@@H]1CCCC[N@H+]1CCCNC(=[NH2+])Nc1ccccn1 ZINC000170908200 261448648 /nfs/dbraw/zinc/44/86/48/261448648.db2.gz SUPJSSRVLKEPML-CYBMUJFWSA-N 2 1 275.400 2.073 20 30 CEEDMP C=C(C)CC[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000364368292 262219613 /nfs/dbraw/zinc/21/96/13/262219613.db2.gz ZOAWAZHKRKZTQU-INIZCTEOSA-N 2 1 265.445 2.053 20 30 CEEDMP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccc(OCC#N)cc3)C2)C1 ZINC000292065930 263127992 /nfs/dbraw/zinc/12/79/92/263127992.db2.gz DBRAREAHODYXOS-KRWDZBQOSA-N 2 1 285.391 2.117 20 30 CEEDMP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccc(OCC#N)cc3)C2)C1 ZINC000292065930 263127993 /nfs/dbraw/zinc/12/79/93/263127993.db2.gz DBRAREAHODYXOS-KRWDZBQOSA-N 2 1 285.391 2.117 20 30 CEEDMP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccc(OCC#N)cc3)C2)C1 ZINC000292065930 263127994 /nfs/dbraw/zinc/12/79/94/263127994.db2.gz DBRAREAHODYXOS-KRWDZBQOSA-N 2 1 285.391 2.117 20 30 CEEDMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccc(OCC#N)cc3)C2)C1 ZINC000292065930 263127995 /nfs/dbraw/zinc/12/79/95/263127995.db2.gz DBRAREAHODYXOS-KRWDZBQOSA-N 2 1 285.391 2.117 20 30 CEEDMP C=C[C@H](CO)[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000353576759 263183448 /nfs/dbraw/zinc/18/34/48/263183448.db2.gz ORCSPHDCZXTAMA-IIAWOOMASA-N 2 1 266.429 2.166 20 30 CEEDMP C=CCC[C@@H](CC)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000128524453 264289651 /nfs/dbraw/zinc/28/96/51/264289651.db2.gz VANDWBIXYADVCO-MRXNPFEDSA-N 2 1 267.461 2.348 20 30 CEEDMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCc3ccc(C#N)cc32)CC1 ZINC000336392806 277023234 /nfs/dbraw/zinc/02/32/34/277023234.db2.gz HCOVMFLFWVEZTL-QGZVFWFLSA-N 2 1 267.376 2.397 20 30 CEEDMP COCC[NH+]1CCC([NH2+][C@H](C)c2cccc(C#N)c2)CC1 ZINC000178178784 312729160 /nfs/dbraw/zinc/72/91/60/312729160.db2.gz VPUCFNGKKAAMRM-CQSZACIVSA-N 2 1 287.407 2.320 20 30 CEEDMP C=C(C)C[NH+](C)CC1(C[N@H+](C)CC(=C)C)COC1 ZINC000182462247 329239734 /nfs/dbraw/zinc/23/97/34/329239734.db2.gz AICKQGYOJOWSIO-UHFFFAOYSA-N 2 1 252.402 2.019 20 30 CEEDMP C=C(C)C[NH+](C)CC1(C[N@@H+](C)CC(=C)C)COC1 ZINC000182462247 329239735 /nfs/dbraw/zinc/23/97/35/329239735.db2.gz AICKQGYOJOWSIO-UHFFFAOYSA-N 2 1 252.402 2.019 20 30 CEEDMP C=C(C)C[NH+]1CCC(N[C@H]2CC[NH2+]CC[C@H]2C)CC1 ZINC000422974520 330164648 /nfs/dbraw/zinc/16/46/48/330164648.db2.gz FAQAZVMXINGRRO-ZBFHGGJFSA-N 2 1 265.445 2.005 20 30 CEEDMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CC1(CC#N)CC1 ZINC000423106310 330170615 /nfs/dbraw/zinc/17/06/15/330170615.db2.gz ZOWUEQNZISKUIF-UKRRQHHQSA-N 2 1 257.381 2.228 20 30 CEEDMP C=CCC(C)(C)C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000423129824 330171528 /nfs/dbraw/zinc/17/15/28/330171528.db2.gz FQGUFSYWKLLZII-ZNMIVQPWSA-N 2 1 266.429 2.335 20 30 CEEDMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424378883 330349079 /nfs/dbraw/zinc/34/90/79/330349079.db2.gz UEMWFULRNHEPKQ-HNKHHVNMSA-N 2 1 257.381 2.227 20 30 CEEDMP C#CC[N@@H+](C)CCCN[C@@H]1CC[NH+](C)[C@@H](c2ccccc2)C1 ZINC000491164661 332159339 /nfs/dbraw/zinc/15/93/39/332159339.db2.gz DHIFYVHZHDINLV-RTBURBONSA-N 2 1 299.462 2.367 20 30 CEEDMP C#CC[NH+](C)CCCN[C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000491164661 332159340 /nfs/dbraw/zinc/15/93/40/332159340.db2.gz DHIFYVHZHDINLV-RTBURBONSA-N 2 1 299.462 2.367 20 30 CEEDMP C#CC[NH+](C)CCCN[C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000491164661 332159342 /nfs/dbraw/zinc/15/93/42/332159342.db2.gz DHIFYVHZHDINLV-RTBURBONSA-N 2 1 299.462 2.367 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCC(=O)Nc2ccccc21 ZINC000491760663 332331698 /nfs/dbraw/zinc/33/16/98/332331698.db2.gz SAFMWSZFBBNIFW-HNNXBMFYSA-N 2 1 285.391 2.005 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCC(=O)Nc2ccccc21 ZINC000491760663 332331699 /nfs/dbraw/zinc/33/16/99/332331699.db2.gz SAFMWSZFBBNIFW-HNNXBMFYSA-N 2 1 285.391 2.005 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+]C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000491813982 332365630 /nfs/dbraw/zinc/36/56/30/332365630.db2.gz CABBTEBEQKSTNP-HNNXBMFYSA-N 2 1 298.789 2.057 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000491813982 332365632 /nfs/dbraw/zinc/36/56/32/332365632.db2.gz CABBTEBEQKSTNP-HNNXBMFYSA-N 2 1 298.789 2.057 20 30 CEEDMP C=C(C)CC[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000552072252 334285927 /nfs/dbraw/zinc/28/59/27/334285927.db2.gz QXXCYQNEDRLTLP-MRXNPFEDSA-N 2 1 265.445 2.053 20 30 CEEDMP C=CCOc1cccc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)c1 ZINC000347071660 526897433 /nfs/dbraw/zinc/89/74/33/526897433.db2.gz QPNOGMWGHLXJFO-HNNXBMFYSA-N 2 1 260.381 2.422 20 30 CEEDMP C=CCOc1cccc(C[N@@H+]2CCC[C@H](C[NH3+])C2)c1 ZINC000347071661 526899697 /nfs/dbraw/zinc/89/96/97/526899697.db2.gz QPNOGMWGHLXJFO-OAHLLOKOSA-N 2 1 260.381 2.422 20 30 CEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C[C@@H]1C ZINC000947502997 613793400 /nfs/dbraw/zinc/79/34/00/613793400.db2.gz XTXFUGZLGIDGTR-ZFWWWQNUSA-N 2 1 298.390 2.103 20 30 CEEDMP CC[C@H](C)NC(=[NH2+])NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000157363500 624973934 /nfs/dbraw/zinc/97/39/34/624973934.db2.gz UYRLPKHGPYZABB-KBPBESRZSA-N 2 1 268.449 2.057 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1C[C@H](OCC(C)C)C1(C)C ZINC000328041710 627769962 /nfs/dbraw/zinc/76/99/62/627769962.db2.gz XOUQQGFWNPGRTB-HOTGVXAUSA-N 2 1 280.456 2.371 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1C[C@H](OCC(C)C)C1(C)C ZINC000328041710 627769967 /nfs/dbraw/zinc/76/99/67/627769967.db2.gz XOUQQGFWNPGRTB-HOTGVXAUSA-N 2 1 280.456 2.371 20 30 CEEDMP C[C@@H](C#N)OCC[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000801915206 634679876 /nfs/dbraw/zinc/67/98/76/634679876.db2.gz KWYLZUMWJVZGLO-IRXDYDNUSA-N 2 1 293.455 2.359 20 30 CEEDMP C[C@@H](C#N)OCC[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000801915206 634679883 /nfs/dbraw/zinc/67/98/83/634679883.db2.gz KWYLZUMWJVZGLO-IRXDYDNUSA-N 2 1 293.455 2.359 20 30 CEEDMP C[NH+](C)[C@]1(CNC(=[NH2+])NC2CCCCCC2)CCSC1 ZINC000261979193 629409522 /nfs/dbraw/zinc/40/95/22/629409522.db2.gz HIHBGFADSHOQOH-HNNXBMFYSA-N 2 1 298.500 2.051 20 30 CEEDMP C#CCOc1ccc(C[NH2+]CC[C@@H](C)[NH+](C)C)cc1 ZINC000895298194 630086427 /nfs/dbraw/zinc/08/64/27/630086427.db2.gz UEIIZJDUGSMFAT-CQSZACIVSA-N 2 1 260.381 2.128 20 30 CEEDMP C#Cc1ccc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)cc1 ZINC000809735442 632134135 /nfs/dbraw/zinc/13/41/35/632134135.db2.gz GYPAPUSNHVZDCS-QGZVFWFLSA-N 2 1 256.393 2.488 20 30 CEEDMP CCO[C@H](C[NH2+][C@H](C)c1ccc(C#N)c(F)c1)CN(C)C ZINC000926957358 632384598 /nfs/dbraw/zinc/38/45/98/632384598.db2.gz AIHWPRQQTOGPGQ-IUODEOHRSA-N 2 1 293.386 2.315 20 30 CEEDMP C[NH+]1CCC2(CCC[N@H+](Cc3nc(C#N)cs3)C2)CC1 ZINC000811500504 632391333 /nfs/dbraw/zinc/39/13/33/632391333.db2.gz FQSPJGRSDPUDTD-UHFFFAOYSA-N 2 1 290.436 2.323 20 30 CEEDMP C[NH+]1CCC2(CCC[N@@H+](Cc3nc(C#N)cs3)C2)CC1 ZINC000811500504 632391336 /nfs/dbraw/zinc/39/13/36/632391336.db2.gz FQSPJGRSDPUDTD-UHFFFAOYSA-N 2 1 290.436 2.323 20 30 CEEDMP CC(=NNc1cc[nH+]cc1)c1ccc2c(c1)CC[NH2+]CC2 ZINC000814899760 632919115 /nfs/dbraw/zinc/91/91/15/632919115.db2.gz LUSUISVNAPBXBA-UHFFFAOYSA-N 2 1 280.375 2.028 20 30 CEEDMP C=CCc1cc(C[NH2+][C@H]2CCC[C@@H]2[NH3+])cc(OC)c1OC ZINC000817908891 633767136 /nfs/dbraw/zinc/76/71/36/633767136.db2.gz IOZGHCKDMCQOIU-GJZGRUSLSA-N 2 1 290.407 2.402 20 30 CEEDMP CC[C@H](C#N)Oc1cccc(C[NH2+][C@H]2CCC[C@H]2[NH3+])c1 ZINC000817917466 633775884 /nfs/dbraw/zinc/77/58/84/633775884.db2.gz HAIGPDKMWRDHMX-BMFZPTHFSA-N 2 1 273.380 2.337 20 30 CEEDMP N#Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)nc1 ZINC000817930389 633784719 /nfs/dbraw/zinc/78/47/19/633784719.db2.gz CNHOYFSDUQHWME-BRWVUGGUSA-N 2 1 284.407 2.354 20 30 CEEDMP CC(C)[C@H]([NH3+])C[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000817958067 633802068 /nfs/dbraw/zinc/80/20/68/633802068.db2.gz GWYBYQXJSWNNNY-IUODEOHRSA-N 2 1 261.369 2.223 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000819023580 634042652 /nfs/dbraw/zinc/04/26/52/634042652.db2.gz GVTRQNKJOOCZSC-GOSISDBHSA-N 2 1 299.418 2.222 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)[C@@H]1COc2ccccc2C1 ZINC000903001681 634932508 /nfs/dbraw/zinc/93/25/08/634932508.db2.gz XDCHUIFZHFDRIU-WBVHZDCISA-N 2 1 286.419 2.171 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)[C@@H]1COc2ccccc2C1 ZINC000903001681 634932511 /nfs/dbraw/zinc/93/25/11/634932511.db2.gz XDCHUIFZHFDRIU-WBVHZDCISA-N 2 1 286.419 2.171 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2OC)CC1 ZINC000903093478 634975292 /nfs/dbraw/zinc/97/52/92/634975292.db2.gz ROGIELSJHVNUNC-HUUCEWRRSA-N 2 1 252.402 2.184 20 30 CEEDMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](CCCCC1(C#N)CCC1)C2 ZINC000903781262 635267579 /nfs/dbraw/zinc/26/75/79/635267579.db2.gz PDSLYLMTNWXXBY-LSDHHAIUSA-N 2 1 261.413 2.392 20 30 CEEDMP C=CC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H]1C ZINC000993669352 640665798 /nfs/dbraw/zinc/66/57/98/640665798.db2.gz AQFQJOSYGKXRCH-HUUCEWRRSA-N 2 1 293.455 2.016 20 30 CEEDMP C#C[C@H]1CCC[N@@H+](C/C=C/C[NH+]2CCC[C@@H](C#C)C2)C1 ZINC000847020656 641525094 /nfs/dbraw/zinc/52/50/94/641525094.db2.gz CYGFUOUZQLJYNX-FBLDJFESSA-N 2 1 270.420 2.233 20 30 CEEDMP C#C[C@H]1CCC[NH+](C/C=C/C[N@@H+]2CCC[C@@H](C#C)C2)C1 ZINC000847020656 641525097 /nfs/dbraw/zinc/52/50/97/641525097.db2.gz CYGFUOUZQLJYNX-FBLDJFESSA-N 2 1 270.420 2.233 20 30 CEEDMP C#C[C@H]1CCC[NH+](C/C=C/C[N@H+]2CCC[C@@H](C#C)C2)C1 ZINC000847020656 641525098 /nfs/dbraw/zinc/52/50/98/641525098.db2.gz CYGFUOUZQLJYNX-FBLDJFESSA-N 2 1 270.420 2.233 20 30 CEEDMP C=CC[NH+](CC=C)[C@@H](CNC(NC1CC1)=[NH+]C)C(C)C ZINC000848991600 642212184 /nfs/dbraw/zinc/21/21/84/642212184.db2.gz SNVZBOJYQHPGLL-HNNXBMFYSA-N 2 1 278.444 2.012 20 30 CEEDMP C[C@@H]1C[N@@H+](CCc2ccc(C#N)cc2)CC[C@H]1C[NH3+] ZINC000923494045 643738689 /nfs/dbraw/zinc/73/86/89/643738689.db2.gz KEYVPOZJJFVHGQ-CJNGLKHVSA-N 2 1 257.381 2.017 20 30 CEEDMP C#CCC[NH+]1CCC(CCC[N@H+](C)CCOC)CC1 ZINC000766978636 645943356 /nfs/dbraw/zinc/94/33/56/645943356.db2.gz VWEAJQHILDAXIT-UHFFFAOYSA-N 2 1 266.429 2.080 20 30 CEEDMP C[N@@H+](CCc1cccc(C#N)c1)C[C@@H]1CCC[NH2+]C1 ZINC000866698225 647872630 /nfs/dbraw/zinc/87/26/30/647872630.db2.gz PRRFTWABQSNSQS-MRXNPFEDSA-N 2 1 257.381 2.032 20 30 CEEDMP C[C@@H]([NH2+][C@@H]1Cc2ccc(C#N)cc2C1)[C@@H]1CCCC[NH2+]1 ZINC000873275836 649621261 /nfs/dbraw/zinc/62/12/61/649621261.db2.gz ONVXFMDPAJNDSP-JLZZUVOBSA-N 2 1 269.392 2.146 20 30 CEEDMP C=CCC[C@@H]([NH2+]CC1([NH+](C)C)CCOCC1)[C@@H]1CCCO1 ZINC000883190222 652394856 /nfs/dbraw/zinc/39/48/56/652394856.db2.gz XUJSWNSDBDCPPT-CVEARBPZSA-N 2 1 296.455 2.201 20 30 CEEDMP C=CCC[C@H]([NH2+]CC1([NH+](C)C)CCOCC1)[C@H]1CCCO1 ZINC000883190225 652394894 /nfs/dbraw/zinc/39/48/94/652394894.db2.gz XUJSWNSDBDCPPT-JKSUJKDBSA-N 2 1 296.455 2.201 20 30 CEEDMP C=C(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001266852885 802942339 /nfs/dbraw/zinc/94/23/39/802942339.db2.gz ARQSRECJWCMHQD-INIZCTEOSA-N 2 1 295.471 2.265 20 30 CEEDMP C=CCC[C@H](C)[N@@H+](CC)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001267241631 803280343 /nfs/dbraw/zinc/28/03/43/803280343.db2.gz FGRSQSBGZGESRI-ARFHVFGLSA-N 2 1 295.471 2.119 20 30 CEEDMP C=CCC[C@H](C)[NH+](CC)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001267241631 803280348 /nfs/dbraw/zinc/28/03/48/803280348.db2.gz FGRSQSBGZGESRI-ARFHVFGLSA-N 2 1 295.471 2.119 20 30 CEEDMP C=CCC[C@H](C)[NH+](CC)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001267241631 803280350 /nfs/dbraw/zinc/28/03/50/803280350.db2.gz FGRSQSBGZGESRI-ARFHVFGLSA-N 2 1 295.471 2.119 20 30 CEEDMP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001284220089 804907472 /nfs/dbraw/zinc/90/74/72/804907472.db2.gz NCYLNEZHCKOHOX-GJZGRUSLSA-N 2 1 295.471 2.025 20 30 CEEDMP N#CC[C@H]1CCC[N@@H+](C2CC[NH+](CC3CC3)CC2)C1 ZINC001168390052 807053867 /nfs/dbraw/zinc/05/38/67/807053867.db2.gz FBCPZFAGLJOAHK-CQSZACIVSA-N 2 1 261.413 2.486 20 30 CEEDMP N#CC[C@H]1CCC[N@H+](C2CC[NH+](CC3CC3)CC2)C1 ZINC001168390052 807053877 /nfs/dbraw/zinc/05/38/77/807053877.db2.gz FBCPZFAGLJOAHK-CQSZACIVSA-N 2 1 261.413 2.486 20 30 CEEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CC)C[C@@H]1CC ZINC001269182963 805072728 /nfs/dbraw/zinc/07/27/28/805072728.db2.gz RCUOTOFUVPRLBX-HOTGVXAUSA-N 2 1 295.471 2.121 20 30 CEEDMP C=C(C)CC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001034129882 809526152 /nfs/dbraw/zinc/52/61/52/809526152.db2.gz FFZDCNHPZFRJAL-CVEARBPZSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001034129882 809526157 /nfs/dbraw/zinc/52/61/57/809526157.db2.gz FFZDCNHPZFRJAL-CVEARBPZSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001034129882 809526162 /nfs/dbraw/zinc/52/61/62/809526162.db2.gz FFZDCNHPZFRJAL-CVEARBPZSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CC[NH+]1CCC[C@H]1CN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172112896 815300709 /nfs/dbraw/zinc/30/07/09/815300709.db2.gz CTHDBIQZWDQSEU-NXOAAHMSSA-N 2 1 277.456 2.242 20 30 CEEDMP C=CC[N@H+]1CCC[C@H]1CN[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172112896 815300714 /nfs/dbraw/zinc/30/07/14/815300714.db2.gz CTHDBIQZWDQSEU-NXOAAHMSSA-N 2 1 277.456 2.242 20 30 CEEDMP C=CC[N@@H+]1CCC[C@H]1CN[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172112896 815300720 /nfs/dbraw/zinc/30/07/20/815300720.db2.gz CTHDBIQZWDQSEU-NXOAAHMSSA-N 2 1 277.456 2.242 20 30 CEEDMP C=CCN1CCC[C@H]1C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172112896 815300725 /nfs/dbraw/zinc/30/07/25/815300725.db2.gz CTHDBIQZWDQSEU-NXOAAHMSSA-N 2 1 277.456 2.242 20 30 CEEDMP C=CCN1CCC[C@H]1C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172112896 815300729 /nfs/dbraw/zinc/30/07/29/815300729.db2.gz CTHDBIQZWDQSEU-NXOAAHMSSA-N 2 1 277.456 2.242 20 30 CEEDMP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001034672563 809657790 /nfs/dbraw/zinc/65/77/90/809657790.db2.gz NOLRJMROCBTVSS-JYJNAYRXSA-N 2 1 293.455 2.064 20 30 CEEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001015115275 810260135 /nfs/dbraw/zinc/26/01/35/810260135.db2.gz UXIZTTOUPPYHQJ-OAHLLOKOSA-N 2 1 298.390 2.105 20 30 CEEDMP C=C(C)C[N@H+](CC)C1CCN(CCCOC)CC1 ZINC001172253481 815361173 /nfs/dbraw/zinc/36/11/73/815361173.db2.gz QWGOQRFQYMHMFC-UHFFFAOYSA-N 2 1 254.418 2.385 20 30 CEEDMP C=C(C)C[N@@H+](CC)C1CC[NH+](CCCOC)CC1 ZINC001172253481 815361179 /nfs/dbraw/zinc/36/11/79/815361179.db2.gz QWGOQRFQYMHMFC-UHFFFAOYSA-N 2 1 254.418 2.385 20 30 CEEDMP C=C(C)C[N@H+](CC)C1CC[NH+](CCCOC)CC1 ZINC001172253481 815361186 /nfs/dbraw/zinc/36/11/86/815361186.db2.gz QWGOQRFQYMHMFC-UHFFFAOYSA-N 2 1 254.418 2.385 20 30 CEEDMP COCCC[NH+]1CCC([N@@H+]2CCC[C@@H](C#N)CC2)CC1 ZINC001172255927 815361442 /nfs/dbraw/zinc/36/14/42/815361442.db2.gz OPVQBSSKZNSNQG-OAHLLOKOSA-N 2 1 279.428 2.113 20 30 CEEDMP COCCC[NH+]1CCC([N@H+]2CCC[C@@H](C#N)CC2)CC1 ZINC001172255927 815361448 /nfs/dbraw/zinc/36/14/48/815361448.db2.gz OPVQBSSKZNSNQG-OAHLLOKOSA-N 2 1 279.428 2.113 20 30 CEEDMP C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001172310489 815365170 /nfs/dbraw/zinc/36/51/70/815365170.db2.gz FXEILAZGVZXYAJ-BMGDILEWSA-N 2 1 283.419 2.373 20 30 CEEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C2 ZINC001109709146 811931905 /nfs/dbraw/zinc/93/19/05/811931905.db2.gz FEKBJDIBFABWOO-QXSJWSMHSA-N 2 1 293.455 2.014 20 30 CEEDMP C=CCCCCC[NH+]1CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001113499403 812263106 /nfs/dbraw/zinc/26/31/06/812263106.db2.gz XRTOYGXLTUWZMJ-UHFFFAOYSA-N 2 1 295.471 2.219 20 30 CEEDMP C=CCCC[NH2+]CCNC(=O)C[N@H+](C)CCCCCC ZINC001135440771 813438980 /nfs/dbraw/zinc/43/89/80/813438980.db2.gz QAKBTCSSJXNJPD-UHFFFAOYSA-N 2 1 283.460 2.171 20 30 CEEDMP C=C(C)C[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001135467784 813441977 /nfs/dbraw/zinc/44/19/77/813441977.db2.gz JTPRFTAXFBGNOY-CABCVRRESA-N 2 1 295.471 2.167 20 30 CEEDMP C=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC001135678167 813499542 /nfs/dbraw/zinc/49/95/42/813499542.db2.gz CLMGSOCZQMANKP-UONOGXRCSA-N 2 1 292.427 2.031 20 30 CEEDMP C#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@H+](C)CCCCCC ZINC001135691717 813504738 /nfs/dbraw/zinc/50/47/38/813504738.db2.gz YWPYZSOSNOROAJ-JKSUJKDBSA-N 2 1 295.471 2.005 20 30 CEEDMP CCCCCCCC[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC001246032141 813665808 /nfs/dbraw/zinc/66/58/08/813665808.db2.gz RRMAINBUNUOARW-RBSFLKMASA-N 2 1 256.434 2.377 20 30 CEEDMP CCCCCCCC[C@@H](O)C[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC001246032141 813665814 /nfs/dbraw/zinc/66/58/14/813665814.db2.gz RRMAINBUNUOARW-RBSFLKMASA-N 2 1 256.434 2.377 20 30 CEEDMP C=C(C)C[NH2+]C1CC(CNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001100681253 814170228 /nfs/dbraw/zinc/17/02/28/814170228.db2.gz DJFXKYBGPODWLL-UHFFFAOYSA-N 2 1 295.471 2.025 20 30 CEEDMP CCCCCCC[C@H](C)[N@H+]1C[C@H](N)[C@H](C(=O)OC)C1 ZINC001246929548 814430178 /nfs/dbraw/zinc/43/01/78/814430178.db2.gz FVFBUPRWSPLSSZ-MJBXVCDLSA-N 2 1 270.417 2.168 20 30 CEEDMP C=CCOC1CCC(n2cc[nH+]c2CCC[NH3+])CC1 ZINC001173319335 815691794 /nfs/dbraw/zinc/69/17/94/815691794.db2.gz FZKRKOGZUPXZAH-UHFFFAOYSA-N 2 1 263.385 2.461 20 30 CEEDMP C[N@H+]1CC[C@]2(CC[NH+](C3CCC(C)(C#N)CC3)C2)C1 ZINC001173597713 815756544 /nfs/dbraw/zinc/75/65/44/815756544.db2.gz GVUMVJYLDLRKDM-GPANFISMSA-N 2 1 261.413 2.486 20 30 CEEDMP C[NH+]1CC[C@]2(CC[N@@H+](C3CCC(C)(C#N)CC3)C2)C1 ZINC001173597713 815756549 /nfs/dbraw/zinc/75/65/49/815756549.db2.gz GVUMVJYLDLRKDM-GPANFISMSA-N 2 1 261.413 2.486 20 30 CEEDMP C=CCn1cc(C[N@@H+]2CCC[C@@](C)(C[NH3+])CC2)cn1 ZINC001206311863 816662076 /nfs/dbraw/zinc/66/20/76/816662076.db2.gz WDOAHNBGXIIYFB-OAHLLOKOSA-N 2 1 262.401 2.020 20 30 CEEDMP C=CCC[NH2+]CCCCCCNC(=O)C[N@H+](C)C1CCC1 ZINC001178705315 816787434 /nfs/dbraw/zinc/78/74/34/816787434.db2.gz LYCUDJMNWWMYGC-UHFFFAOYSA-N 2 1 295.471 2.313 20 30 CEEDMP C=CCCC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)[C@H]1C ZINC001178902189 816812673 /nfs/dbraw/zinc/81/26/73/816812673.db2.gz DYELFNPJTRMOHW-HOCLYGCPSA-N 2 1 293.455 2.016 20 30 CEEDMP CCCNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CCc1ccccc1 ZINC000079917697 343993952 /nfs/dbraw/zinc/99/39/52/343993952.db2.gz JTHOWASJVRMCEV-INIZCTEOSA-N 2 1 288.439 2.008 20 30 CEEDMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cc(C#N)cs2)C1 ZINC000337878499 214297769 /nfs/dbraw/zinc/29/77/69/214297769.db2.gz PVRUQFGHIAIKPP-GFCCVEGCSA-N 2 1 263.410 2.441 20 30 CEEDMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cc(C#N)cs2)C1 ZINC000337878499 214297770 /nfs/dbraw/zinc/29/77/70/214297770.db2.gz PVRUQFGHIAIKPP-GFCCVEGCSA-N 2 1 263.410 2.441 20 30 CEEDMP C=CCC1([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CCOCC1 ZINC000668552439 539196703 /nfs/dbraw/zinc/19/67/03/539196703.db2.gz MGEHPAXJEFICQW-GJZGRUSLSA-N 2 1 264.413 2.328 20 30 CEEDMP N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cc1 ZINC000593730199 345528675 /nfs/dbraw/zinc/52/86/75/345528675.db2.gz LPHUPMKAYWMLJI-RCCFBDPRSA-N 2 1 299.418 2.419 20 30 CEEDMP CC(C)(CC#N)C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000594515078 345641990 /nfs/dbraw/zinc/64/19/90/345641990.db2.gz DUOJAMRJFBLUJQ-OAHLLOKOSA-N 2 1 279.428 2.159 20 30 CEEDMP C[C@@H]1C[C@@H](C)[N@@H+](CCc2ccc(C#N)cc2)C[C@H]1C[NH3+] ZINC000595891115 345908124 /nfs/dbraw/zinc/90/81/24/345908124.db2.gz ALTMNOVBUFPBQG-CKEIUWERSA-N 2 1 271.408 2.406 20 30 CEEDMP N#Cc1ccc(CC[N@@H+]2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000595895203 345908704 /nfs/dbraw/zinc/90/87/04/345908704.db2.gz FQMBVVQFJPEGOF-INIZCTEOSA-N 2 1 257.381 2.162 20 30 CEEDMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2cccc(C#N)c2)C1 ZINC000598994526 346443532 /nfs/dbraw/zinc/44/35/32/346443532.db2.gz PQSSYEKYXGFMAN-MRXNPFEDSA-N 2 1 257.381 2.380 20 30 CEEDMP C[C@@H](CC1(C#N)CCOCC1)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000602687111 347147111 /nfs/dbraw/zinc/14/71/11/347147111.db2.gz ILARXYQSRAJLLQ-HOTGVXAUSA-N 2 1 293.455 2.407 20 30 CEEDMP N#C[C@H]1CC[C@@H]([N@H+]2CCCN(c3cc[nH+]cc3)CC2)C1 ZINC000602848381 347223647 /nfs/dbraw/zinc/22/36/47/347223647.db2.gz MPUORDGVBGDGGE-GOEBONIOSA-N 2 1 270.380 2.286 20 30 CEEDMP CCC1([NH+](C)C)CC[NH+](CCCSCC#N)CC1 ZINC000602967443 347259281 /nfs/dbraw/zinc/25/92/81/347259281.db2.gz IMSGGJDIFSYYGA-UHFFFAOYSA-N 2 1 269.458 2.439 20 30 CEEDMP N#Cc1ccc(C[NH2+]CCC[NH+]2CCCC2)cc1F ZINC000404155914 233192798 /nfs/dbraw/zinc/19/27/98/233192798.db2.gz OJCZYNXYJVGCDV-UHFFFAOYSA-N 2 1 261.344 2.273 20 30 CEEDMP CC[N@H+](C)C[C@H]1CC[NH+](CCOc2ccc(C#N)cc2)C1 ZINC000072860229 363173224 /nfs/dbraw/zinc/17/32/24/363173224.db2.gz JQBMEXMTBUHEHA-MRXNPFEDSA-N 2 1 287.407 2.211 20 30 CEEDMP CC[N@@H+](C)C[C@H]1CC[NH+](CCOc2ccc(C#N)cc2)C1 ZINC000072860229 363173228 /nfs/dbraw/zinc/17/32/28/363173228.db2.gz JQBMEXMTBUHEHA-MRXNPFEDSA-N 2 1 287.407 2.211 20 30 CEEDMP CC[NH+](C)C[C@H]1CC[N@H+](CCOc2ccc(C#N)cc2)C1 ZINC000072860229 363173232 /nfs/dbraw/zinc/17/32/32/363173232.db2.gz JQBMEXMTBUHEHA-MRXNPFEDSA-N 2 1 287.407 2.211 20 30 CEEDMP CC[NH+](C)C[C@H]1CC[N@@H+](CCOc2ccc(C#N)cc2)C1 ZINC000072860229 363173238 /nfs/dbraw/zinc/17/32/38/363173238.db2.gz JQBMEXMTBUHEHA-MRXNPFEDSA-N 2 1 287.407 2.211 20 30 CEEDMP COc1ccc(C[N@H+](C)CCC[NH+]2CCCC2)cc1C#N ZINC000337284937 366125166 /nfs/dbraw/zinc/12/51/66/366125166.db2.gz ZJSJCTCWLVSASA-UHFFFAOYSA-N 2 1 287.407 2.485 20 30 CEEDMP COc1ccc(C[N@@H+](C)CCC[NH+]2CCCC2)cc1C#N ZINC000337284937 366125168 /nfs/dbraw/zinc/12/51/68/366125168.db2.gz ZJSJCTCWLVSASA-UHFFFAOYSA-N 2 1 287.407 2.485 20 30 CEEDMP N#Cc1csc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000093492387 364191706 /nfs/dbraw/zinc/19/17/06/364191706.db2.gz IHPWUYXPGLXBJK-QWHCGFSZSA-N 2 1 261.394 2.336 20 30 CEEDMP N#Cc1csc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000093492387 364191712 /nfs/dbraw/zinc/19/17/12/364191712.db2.gz IHPWUYXPGLXBJK-QWHCGFSZSA-N 2 1 261.394 2.336 20 30 CEEDMP C[N@@H+](CCOc1cccc(C#N)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000118842190 365181556 /nfs/dbraw/zinc/18/15/56/365181556.db2.gz YHFPFXQERJYANR-MRXNPFEDSA-N 2 1 287.407 2.211 20 30 CEEDMP C[NH+](CCOc1cccc(C#N)c1)C[C@@H]1CCC[N@H+](C)C1 ZINC000118842190 365181558 /nfs/dbraw/zinc/18/15/58/365181558.db2.gz YHFPFXQERJYANR-MRXNPFEDSA-N 2 1 287.407 2.211 20 30 CEEDMP C[NH+](CCOc1cccc(C#N)c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118842190 365181559 /nfs/dbraw/zinc/18/15/59/365181559.db2.gz YHFPFXQERJYANR-MRXNPFEDSA-N 2 1 287.407 2.211 20 30 CEEDMP C[NH+]1CCC([NH2+]CCSCc2ccccc2C#N)CC1 ZINC000170670617 367396351 /nfs/dbraw/zinc/39/63/51/367396351.db2.gz YWUNKPQUHFYQSU-UHFFFAOYSA-N 2 1 289.448 2.475 20 30 CEEDMP COCC[NH+]1CCC([NH2+]CC(C)(C)CCC#N)CC1 ZINC000173359998 367902642 /nfs/dbraw/zinc/90/26/42/367902642.db2.gz WJKOESHUTUBIDE-UHFFFAOYSA-N 2 1 267.417 2.017 20 30 CEEDMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(OCC#N)cc2)[C@H](C)C1 ZINC000180548754 368386699 /nfs/dbraw/zinc/38/66/99/368386699.db2.gz QPPBFCYCAHOIJZ-RHSMWYFYSA-N 2 1 287.407 2.409 20 30 CEEDMP C=CCc1cc(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cc(OC)c1O ZINC000346636918 368745650 /nfs/dbraw/zinc/74/56/50/368745650.db2.gz IFOPCEMGQOEHHA-IUODEOHRSA-N 2 1 290.407 2.298 20 30 CEEDMP C=CCOCCC[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000348057262 368878554 /nfs/dbraw/zinc/87/85/54/368878554.db2.gz SZMQCHUVGWKXTO-UHFFFAOYSA-N 2 1 277.412 2.267 20 30 CEEDMP CCN(CC)C(=[NH2+])NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000195291391 370122657 /nfs/dbraw/zinc/12/26/57/370122657.db2.gz YUMPZNROAGTSQO-INIZCTEOSA-N 2 1 288.439 2.165 20 30 CEEDMP C=C(C)C[NH+]1CCC(N[C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)CC1 ZINC000248169077 371167313 /nfs/dbraw/zinc/16/73/13/371167313.db2.gz UJXJPQWECWHXIS-ZMSDIMECSA-N 2 1 279.472 2.345 20 30 CEEDMP N#Cc1cccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000248764352 371242551 /nfs/dbraw/zinc/24/25/51/371242551.db2.gz NUAWJCZZEBBIRM-HOTGVXAUSA-N 2 1 255.365 2.275 20 30 CEEDMP N#Cc1cccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000248764352 371242555 /nfs/dbraw/zinc/24/25/55/371242555.db2.gz NUAWJCZZEBBIRM-HOTGVXAUSA-N 2 1 255.365 2.275 20 30 CEEDMP C=CCC[C@@H](O)C[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000639981885 371710799 /nfs/dbraw/zinc/71/07/99/371710799.db2.gz ARCVQSUWOSSOCU-OAHLLOKOSA-N 2 1 266.429 2.264 20 30 CEEDMP Cc1ccc(NC(=[NH2+])NC[C@H]2CCC[N@@H+]2C)cc1C ZINC000264131967 371975589 /nfs/dbraw/zinc/97/55/89/371975589.db2.gz YFNAOFOQTXSWOQ-CQSZACIVSA-N 2 1 260.385 2.124 20 30 CEEDMP COCC[N@@H+](C)CCC[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000353387393 220056678 /nfs/dbraw/zinc/05/66/78/220056678.db2.gz OLRJOYWIVDNCSW-KRWDZBQOSA-N 2 1 287.407 2.103 20 30 CEEDMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cccc(C#N)c2)CCCO1 ZINC000277661462 374599971 /nfs/dbraw/zinc/59/99/71/374599971.db2.gz FLXIRGXEQQKEEM-OAHLLOKOSA-N 2 1 287.407 2.149 20 30 CEEDMP COc1cc(C[N@@H+](C)[C@H]2CCN(C)C[C@H]2C)ccc1C#N ZINC000290434473 376776908 /nfs/dbraw/zinc/77/69/08/376776908.db2.gz LLKYBJLFUKLOAZ-CJNGLKHVSA-N 2 1 287.407 2.339 20 30 CEEDMP COc1cc(CN(C)[C@H]2CC[N@H+](C)C[C@H]2C)ccc1C#N ZINC000290434473 376776918 /nfs/dbraw/zinc/77/69/18/376776918.db2.gz LLKYBJLFUKLOAZ-CJNGLKHVSA-N 2 1 287.407 2.339 20 30 CEEDMP COc1cc(CN(C)[C@H]2CC[N@@H+](C)C[C@H]2C)ccc1C#N ZINC000290434473 376776925 /nfs/dbraw/zinc/77/69/25/376776925.db2.gz LLKYBJLFUKLOAZ-CJNGLKHVSA-N 2 1 287.407 2.339 20 30 CEEDMP COc1cc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)ccc1C#N ZINC000290434473 376776931 /nfs/dbraw/zinc/77/69/31/376776931.db2.gz LLKYBJLFUKLOAZ-CJNGLKHVSA-N 2 1 287.407 2.339 20 30 CEEDMP COc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)ccc1C#N ZINC000290434473 376776941 /nfs/dbraw/zinc/77/69/41/376776941.db2.gz LLKYBJLFUKLOAZ-CJNGLKHVSA-N 2 1 287.407 2.339 20 30 CEEDMP COc1cc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)ccc1C#N ZINC000290434473 376776947 /nfs/dbraw/zinc/77/69/47/376776947.db2.gz LLKYBJLFUKLOAZ-CJNGLKHVSA-N 2 1 287.407 2.339 20 30 CEEDMP COc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)ccc1C#N ZINC000290434473 376776954 /nfs/dbraw/zinc/77/69/54/376776954.db2.gz LLKYBJLFUKLOAZ-CJNGLKHVSA-N 2 1 287.407 2.339 20 30 CEEDMP C[NH+]1CC[C@]2(CC[N@@H+](CCCOc3ccc(C#N)cc3)C2)C1 ZINC000319902137 376819735 /nfs/dbraw/zinc/81/97/35/376819735.db2.gz LTIXAEPGTCGUQO-SFHVURJKSA-N 2 1 299.418 2.355 20 30 CEEDMP C#CCOc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000264977601 190149540 /nfs/dbraw/zinc/14/95/40/190149540.db2.gz SPHFGFILPSTPHQ-ZWKOTPCHSA-N 2 1 284.403 2.415 20 30 CEEDMP C#CCOc1ccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000264977601 190149541 /nfs/dbraw/zinc/14/95/41/190149541.db2.gz SPHFGFILPSTPHQ-ZWKOTPCHSA-N 2 1 284.403 2.415 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCc2c1cccc2OC ZINC000295103070 378041186 /nfs/dbraw/zinc/04/11/86/378041186.db2.gz WHLNJGKHRQOXDU-MRXNPFEDSA-N 2 1 272.392 2.227 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCc2c1cccc2OC ZINC000295103070 378041192 /nfs/dbraw/zinc/04/11/92/378041192.db2.gz WHLNJGKHRQOXDU-MRXNPFEDSA-N 2 1 272.392 2.227 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCc2ccc(OC)cc2C1 ZINC000295105128 378041681 /nfs/dbraw/zinc/04/16/81/378041681.db2.gz WPLWWZZHLBAIQA-QGZVFWFLSA-N 2 1 286.419 2.097 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCc2ccc(OC)cc2C1 ZINC000295105128 378041687 /nfs/dbraw/zinc/04/16/87/378041687.db2.gz WPLWWZZHLBAIQA-QGZVFWFLSA-N 2 1 286.419 2.097 20 30 CEEDMP C=CCC[C@H](O)C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000305065214 379617945 /nfs/dbraw/zinc/61/79/45/379617945.db2.gz HOZQVSATIRBTMW-GJZGRUSLSA-N 2 1 254.418 2.120 20 30 CEEDMP C=CCC[C@H](O)C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000305065214 379617956 /nfs/dbraw/zinc/61/79/56/379617956.db2.gz HOZQVSATIRBTMW-GJZGRUSLSA-N 2 1 254.418 2.120 20 30 CEEDMP C=CCC[C@H](O)C[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000305065214 379617964 /nfs/dbraw/zinc/61/79/64/379617964.db2.gz HOZQVSATIRBTMW-GJZGRUSLSA-N 2 1 254.418 2.120 20 30 CEEDMP CCCNC(=[NH2+])NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000303866010 394480168 /nfs/dbraw/zinc/48/01/68/394480168.db2.gz CCRFQAGYGWUPFR-CYBMUJFWSA-N 2 1 294.468 2.274 20 30 CEEDMP COc1cc(C[NH2+][C@H](C[NH3+])C2CCCC2)ccc1C#N ZINC000415043152 394861789 /nfs/dbraw/zinc/86/17/89/394861789.db2.gz AINSXSDIHFNBMD-OAHLLOKOSA-N 2 1 273.380 2.174 20 30 CEEDMP CCC[N@@H+](CCN1CC[NH+](CC)CC1)[C@H]1CC[C@H](C#N)C1 ZINC000339202070 394950369 /nfs/dbraw/zinc/95/03/69/394950369.db2.gz GQXFZPPSPUSVBI-IRXDYDNUSA-N 2 1 292.471 2.028 20 30 CEEDMP C#Cc1ccc(C[N@H+]2CCC[C@@H](CN3CCOCC3)C2)cc1 ZINC000289911261 395090492 /nfs/dbraw/zinc/09/04/92/395090492.db2.gz XYJKYGZMCPXMMK-IBGZPJMESA-N 2 1 298.430 2.212 20 30 CEEDMP C=CCCC[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000372353662 395040364 /nfs/dbraw/zinc/04/03/64/395040364.db2.gz HCNGMSXTRWYGON-ARFHVFGLSA-N 2 1 266.429 2.432 20 30 CEEDMP CC#CCN(C)C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000293121354 395219466 /nfs/dbraw/zinc/21/94/66/395219466.db2.gz MHQMBRLJKRPZHG-SFHVURJKSA-N 2 1 286.419 2.233 20 30 CEEDMP C=CC[C@@H]1CC[C@@H]([NH2+]CCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC000651794292 401393313 /nfs/dbraw/zinc/39/33/13/401393313.db2.gz PZDUBDUDFZYTCD-HZPDHXFCSA-N 2 1 279.472 2.347 20 30 CEEDMP C[N@H+](Cc1cccc(C#N)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746519 174391578 /nfs/dbraw/zinc/39/15/78/174391578.db2.gz HYUWACJPKWJHBS-XYPWUTKMSA-N 2 1 255.365 2.273 20 30 CEEDMP C[N@@H+](Cc1cccc(C#N)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746519 174391580 /nfs/dbraw/zinc/39/15/80/174391580.db2.gz HYUWACJPKWJHBS-XYPWUTKMSA-N 2 1 255.365 2.273 20 30 CEEDMP COc1ccc(C(N)=[NH+]OCCC[NH+]2CCCCC2)cc1 ZINC000281155628 263066861 /nfs/dbraw/zinc/06/68/61/263066861.db2.gz KXRHMMWZNUULAL-UHFFFAOYSA-N 2 1 291.395 2.208 20 30 CEEDMP C=CCC[C@H](O)C[N@H+](C)C1CC[NH+](CCC)CC1 ZINC000128544907 264290522 /nfs/dbraw/zinc/29/05/22/264290522.db2.gz QKQPZKAQZAEKIF-HNNXBMFYSA-N 2 1 254.418 2.120 20 30 CEEDMP C[N@@H+](C[C@H]1CC12CC[NH+](CCCC#N)CC2)C1CC1 ZINC000362617607 267024803 /nfs/dbraw/zinc/02/48/03/267024803.db2.gz RVNNPRALWQGGOT-CQSZACIVSA-N 2 1 261.413 2.486 20 30 CEEDMP N#CCSCCC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000369838504 267271688 /nfs/dbraw/zinc/27/16/88/267271688.db2.gz WEBXMILKFOUAOG-QLFBSQMISA-N 2 1 279.453 2.049 20 30 CEEDMP N#CCSCCC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000369838504 267271690 /nfs/dbraw/zinc/27/16/90/267271690.db2.gz WEBXMILKFOUAOG-QLFBSQMISA-N 2 1 279.453 2.049 20 30 CEEDMP N#CCSCCC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000369838504 267271691 /nfs/dbraw/zinc/27/16/91/267271691.db2.gz WEBXMILKFOUAOG-QLFBSQMISA-N 2 1 279.453 2.049 20 30 CEEDMP CC[N@@H+](C)C[C@H]1CCN(Cc2cc(C#N)ccc2OC)C1 ZINC000154532465 289148235 /nfs/dbraw/zinc/14/82/35/289148235.db2.gz WCXUNJMREGMWLO-OAHLLOKOSA-N 2 1 287.407 2.340 20 30 CEEDMP C[C@H](CC[NH+]=C(N(C)C)N(C)C)[N@@H+](C)Cc1ccccc1 ZINC000266997082 328171250 /nfs/dbraw/zinc/17/12/50/328171250.db2.gz YBQMDKNATQJWID-OAHLLOKOSA-N 2 1 290.455 2.376 20 30 CEEDMP CC[N@@H+](CCNC(=[NH2+])Nc1cc(F)ccc1F)C1CC1 ZINC000288666543 328253362 /nfs/dbraw/zinc/25/33/62/328253362.db2.gz HDZAMRSCSAISHH-UHFFFAOYSA-N 2 1 282.338 2.176 20 30 CEEDMP C=CCNC(=[NH2+])NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000262678260 330026316 /nfs/dbraw/zinc/02/63/16/330026316.db2.gz RYRUOUYOLKICTK-TZMCWYRMSA-N 2 1 292.452 2.221 20 30 CEEDMP C=CCNC(=[NH2+])NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000262678257 330026373 /nfs/dbraw/zinc/02/63/73/330026373.db2.gz RYRUOUYOLKICTK-OCCSQVGLSA-N 2 1 292.452 2.221 20 30 CEEDMP C=CC[NH+](CC=C)[C@H](CN[C@H]1CCC[C@H]1C[NH3+])C(C)C ZINC000422827662 330156589 /nfs/dbraw/zinc/15/65/89/330156589.db2.gz DYZZHTJQAUFMGW-YESZJQIVSA-N 2 1 279.472 2.402 20 30 CEEDMP C=C(C)COCC[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000422994017 330163182 /nfs/dbraw/zinc/16/31/82/330163182.db2.gz UNZKANZEPJGVBZ-GOEBONIOSA-N 2 1 262.397 2.127 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)CCCC[NH3+])CC1 ZINC000422974123 330164718 /nfs/dbraw/zinc/16/47/18/330164718.db2.gz DFFOZHVAFNATFZ-CQSZACIVSA-N 3 1 253.434 2.134 20 30 CEEDMP C=CCCCC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000423056393 330167551 /nfs/dbraw/zinc/16/75/51/330167551.db2.gz XKOASVPWIGFASJ-RBSFLKMASA-N 2 1 252.402 2.089 20 30 CEEDMP C=CCC(C)(C)C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000423129822 330171542 /nfs/dbraw/zinc/17/15/42/330171542.db2.gz FQGUFSYWKLLZII-RBSFLKMASA-N 2 1 266.429 2.335 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCCOc2ccccc21 ZINC000491542465 332233404 /nfs/dbraw/zinc/23/34/04/332233404.db2.gz AEUDOACJDOPPNT-MRXNPFEDSA-N 2 1 272.392 2.445 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCCOc2ccccc21 ZINC000491542465 332233405 /nfs/dbraw/zinc/23/34/05/332233405.db2.gz AEUDOACJDOPPNT-MRXNPFEDSA-N 2 1 272.392 2.445 20 30 CEEDMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(OC)c(C#N)c2)[C@H](C)C1 ZINC000742207426 574841719 /nfs/dbraw/zinc/84/17/19/574841719.db2.gz XYDYIBXLYPQMJL-CJNGLKHVSA-N 2 1 287.407 2.387 20 30 CEEDMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(OC)c(C#N)c2)[C@H](C)C1 ZINC000742207426 574841721 /nfs/dbraw/zinc/84/17/21/574841721.db2.gz XYDYIBXLYPQMJL-CJNGLKHVSA-N 2 1 287.407 2.387 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+]Cc1cccc(Br)c1 ZINC000328132567 627859093 /nfs/dbraw/zinc/85/90/93/627859093.db2.gz WXOWANNDGZIOGK-UHFFFAOYSA-N 2 1 295.224 2.494 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1cccc(Br)c1 ZINC000328132567 627859098 /nfs/dbraw/zinc/85/90/98/627859098.db2.gz WXOWANNDGZIOGK-UHFFFAOYSA-N 2 1 295.224 2.494 20 30 CEEDMP N#CC1(c2ccccc2)CCC([NH2+]CC2([NH3+])CC2)CC1 ZINC000902413300 634663227 /nfs/dbraw/zinc/66/32/27/634663227.db2.gz JTFXCLPVQQCTQT-UHFFFAOYSA-N 2 1 269.392 2.471 20 30 CEEDMP N#Cc1ccc(F)c(C[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)c1 ZINC000925812502 628865083 /nfs/dbraw/zinc/86/50/83/628865083.db2.gz ICUOBRFKFMNQII-KBPBESRZSA-N 2 1 259.328 2.057 20 30 CEEDMP CCCC[N@H+]1CCCC[C@H]1C[NH+]=C(N(C)C)N(C)C ZINC000303868748 629666148 /nfs/dbraw/zinc/66/61/48/629666148.db2.gz DMVCBPIGHDSLAQ-AWEZNQCLSA-N 2 1 268.449 2.120 20 30 CEEDMP C#CC[C@H](CO)[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000895490024 630217283 /nfs/dbraw/zinc/21/72/83/630217283.db2.gz JSXJELOIGXDFDM-YQVWRLOYSA-N 2 1 298.430 2.328 20 30 CEEDMP C#CC[C@H](CO)[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000895490024 630217290 /nfs/dbraw/zinc/21/72/90/630217290.db2.gz JSXJELOIGXDFDM-YQVWRLOYSA-N 2 1 298.430 2.328 20 30 CEEDMP CC#CC[N@@H+](C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000897166018 630968558 /nfs/dbraw/zinc/96/85/58/630968558.db2.gz HGAYYJSAAKKDOM-UHFFFAOYSA-N 2 1 260.381 2.082 20 30 CEEDMP CCCCNC(=[NH2+])NCCC[N@@H+](C)C1CCCCC1 ZINC000303908924 631093691 /nfs/dbraw/zinc/09/36/91/631093691.db2.gz XYHHAYHHNLSDPY-UHFFFAOYSA-N 2 1 268.449 2.345 20 30 CEEDMP C=CCCC[C@@H]([NH3+])c1nc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)no1 ZINC000900015521 633177533 /nfs/dbraw/zinc/17/75/33/633177533.db2.gz DNPCUKZPAFRBOR-PSEXLTFBSA-N 2 1 276.384 2.424 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](CC(C)C)C1CCOCC1 ZINC000902999667 634931849 /nfs/dbraw/zinc/93/18/49/634931849.db2.gz DHXZLXMTTRQPEG-KRWDZBQOSA-N 2 1 280.456 2.372 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](CC(C)C)C1CCOCC1 ZINC000902999667 634931853 /nfs/dbraw/zinc/93/18/53/634931853.db2.gz DHXZLXMTTRQPEG-KRWDZBQOSA-N 2 1 280.456 2.372 20 30 CEEDMP C=CCCC[N@H+](CC)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903849254 635303430 /nfs/dbraw/zinc/30/34/30/635303430.db2.gz BOSMBPZVUKTLDV-HNNXBMFYSA-N 2 1 266.429 2.433 20 30 CEEDMP C=CCCC[N@H+](CC)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000903850347 635303828 /nfs/dbraw/zinc/30/38/28/635303828.db2.gz OSQDUXCYQFIWAI-IRXDYDNUSA-N 2 1 276.424 2.205 20 30 CEEDMP CC(C)[N@H+]1CC[C@H](CNC(NC(C)(C)C)=[NH+]CC2CC2)C1 ZINC000912505351 638712016 /nfs/dbraw/zinc/71/20/16/638712016.db2.gz CFKRQLSSCQAOGR-OAHLLOKOSA-N 2 1 294.487 2.460 20 30 CEEDMP CCC[NH+]=C(NC[C@@H]1CC[N@H+](C(C)C)C1)NC(C)(C)C ZINC000912509670 638714268 /nfs/dbraw/zinc/71/42/68/638714268.db2.gz OGJCUJQHSAXNFF-AWEZNQCLSA-N 2 1 282.476 2.460 20 30 CEEDMP CCCCNC(=[NH2+])NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000157394765 639487455 /nfs/dbraw/zinc/48/74/55/639487455.db2.gz OOKANUJBKGDSQW-AWEZNQCLSA-N 2 1 268.449 2.059 20 30 CEEDMP C[N@H+](CC[C@H]1CCC[NH+]1C)C[C@H](O)c1cccc(C#N)c1 ZINC000844366853 640694435 /nfs/dbraw/zinc/69/44/35/640694435.db2.gz OZYFBPNALSNFJN-SJORKVTESA-N 2 1 287.407 2.008 20 30 CEEDMP C[N@@H+](CC[C@H]1CCC[NH+]1C)C[C@H](O)c1cccc(C#N)c1 ZINC000844366853 640694437 /nfs/dbraw/zinc/69/44/37/640694437.db2.gz OZYFBPNALSNFJN-SJORKVTESA-N 2 1 287.407 2.008 20 30 CEEDMP C[NH+](CC[C@H]1CCC[N@@H+]1C)C[C@H](O)c1cccc(C#N)c1 ZINC000844366853 640694440 /nfs/dbraw/zinc/69/44/40/640694440.db2.gz OZYFBPNALSNFJN-SJORKVTESA-N 2 1 287.407 2.008 20 30 CEEDMP C[NH+](CC[C@H]1CCC[N@H+]1C)C[C@H](O)c1cccc(C#N)c1 ZINC000844366853 640694444 /nfs/dbraw/zinc/69/44/44/640694444.db2.gz OZYFBPNALSNFJN-SJORKVTESA-N 2 1 287.407 2.008 20 30 CEEDMP C=CCNC(=[NH2+])NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000848990107 642210974 /nfs/dbraw/zinc/21/09/74/642210974.db2.gz ZHDPCMUPGMOUIY-OKILXGFUSA-N 2 1 266.433 2.044 20 30 CEEDMP C=C(C)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC000999142571 642461419 /nfs/dbraw/zinc/46/14/19/642461419.db2.gz BHBYHLQAUQHGAR-HOTGVXAUSA-N 2 1 293.455 2.016 20 30 CEEDMP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC000999403051 642487142 /nfs/dbraw/zinc/48/71/42/642487142.db2.gz ULBFKXUEDHZVIE-HZPDHXFCSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001000375294 642596354 /nfs/dbraw/zinc/59/63/54/642596354.db2.gz CCLLGJZYJRNOKW-HZPDHXFCSA-N 2 1 293.455 2.016 20 30 CEEDMP C#Cc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000850396974 642700198 /nfs/dbraw/zinc/70/01/98/642700198.db2.gz RPMKSQDYSSMQTQ-SFHVURJKSA-N 2 1 284.403 2.011 20 30 CEEDMP N#Cc1ccc([C@H](O)C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000923364326 643679497 /nfs/dbraw/zinc/67/94/97/643679497.db2.gz MEXHCWDJRRGAOQ-FGTMMUONSA-N 2 1 299.418 2.056 20 30 CEEDMP C#CCCCCC[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000878287758 651054287 /nfs/dbraw/zinc/05/42/87/651054287.db2.gz IOCQDGMVDLMRCO-BRWVUGGUSA-N 2 1 278.440 2.364 20 30 CEEDMP C=CCCCCC[C@@H](C)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000793552695 648776017 /nfs/dbraw/zinc/77/60/17/648776017.db2.gz KTXKBINYBCEFGQ-HUUCEWRRSA-N 2 1 254.418 2.168 20 30 CEEDMP C=CCCCCC[C@@H](C)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000793552695 648776020 /nfs/dbraw/zinc/77/60/20/648776020.db2.gz KTXKBINYBCEFGQ-HUUCEWRRSA-N 2 1 254.418 2.168 20 30 CEEDMP C[NH+]1CCC2(CC[N@@H+](C[C@H](O)c3ccc(C#N)cc3)C2)CC1 ZINC000878864656 651200274 /nfs/dbraw/zinc/20/02/74/651200274.db2.gz JULNZAMSXGSIJT-KRWDZBQOSA-N 2 1 299.418 2.009 20 30 CEEDMP C[N@@H+]1CC[C@@H]2C[NH+](CCCOc3ccc(C#N)cc3)CC[C@H]21 ZINC000879572560 651324216 /nfs/dbraw/zinc/32/42/16/651324216.db2.gz YXEFIWACUJCUIU-SJLPKXTDSA-N 2 1 299.418 2.353 20 30 CEEDMP C[N@H+]1CC[C@@H]2C[NH+](CCCOc3ccc(C#N)cc3)CC[C@H]21 ZINC000879572560 651324217 /nfs/dbraw/zinc/32/42/17/651324217.db2.gz YXEFIWACUJCUIU-SJLPKXTDSA-N 2 1 299.418 2.353 20 30 CEEDMP C[NH+]1CC[C@@H]2C[N@H+](CCCOc3ccc(C#N)cc3)CC[C@H]21 ZINC000879572560 651324219 /nfs/dbraw/zinc/32/42/19/651324219.db2.gz YXEFIWACUJCUIU-SJLPKXTDSA-N 2 1 299.418 2.353 20 30 CEEDMP C[NH+]1CC[C@@H]2C[N@@H+](CCCOc3ccc(C#N)cc3)CC[C@H]21 ZINC000879572560 651324222 /nfs/dbraw/zinc/32/42/22/651324222.db2.gz YXEFIWACUJCUIU-SJLPKXTDSA-N 2 1 299.418 2.353 20 30 CEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)[C@H]1CC ZINC001087725787 805781014 /nfs/dbraw/zinc/78/10/14/805781014.db2.gz DBUSHPKQVPULTR-HRCADAONSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CCC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)[C@H]1CC ZINC001087725787 805781020 /nfs/dbraw/zinc/78/10/20/805781020.db2.gz DBUSHPKQVPULTR-HRCADAONSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CCC[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)[C@H]1CC ZINC001087725787 805781025 /nfs/dbraw/zinc/78/10/25/805781025.db2.gz DBUSHPKQVPULTR-HRCADAONSA-N 2 1 293.455 2.016 20 30 CEEDMP C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001088279222 806081925 /nfs/dbraw/zinc/08/19/25/806081925.db2.gz NFFZCEPELGULNR-JKSUJKDBSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CC[NH2+][C@@H]1CCCCCN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001088381783 806174140 /nfs/dbraw/zinc/17/41/40/806174140.db2.gz MMAXMKNJSOHNRF-HZPDHXFCSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001210789654 802734883 /nfs/dbraw/zinc/73/48/83/802734883.db2.gz PTBZROXKWYLXNS-MRXNPFEDSA-N 2 1 295.471 2.265 20 30 CEEDMP C=CC[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001267015815 803061560 /nfs/dbraw/zinc/06/15/60/803061560.db2.gz SXHJIFRHUWLIQU-HNNXBMFYSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCC[C@@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001267116898 803140134 /nfs/dbraw/zinc/14/01/34/803140134.db2.gz JIQJIYGQRXMYRI-CVEARBPZSA-N 2 1 295.471 2.264 20 30 CEEDMP C=C(C)CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001038240499 803177919 /nfs/dbraw/zinc/17/79/19/803177919.db2.gz QJNPYOBIOBZFSF-CVEARBPZSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001283621959 803523831 /nfs/dbraw/zinc/52/38/31/803523831.db2.gz PPDSSIYHKRGVCO-GOEBONIOSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CCC[NH2+][C@@H](C)[C@@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001282191862 804565953 /nfs/dbraw/zinc/56/59/53/804565953.db2.gz KANTYSLMCYWZMU-UONOGXRCSA-N 2 1 292.427 2.065 20 30 CEEDMP C=CCC[NH2+][C@H](C)[C@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001282191861 804566040 /nfs/dbraw/zinc/56/60/40/804566040.db2.gz KANTYSLMCYWZMU-KGLIPLIRSA-N 2 1 292.427 2.065 20 30 CEEDMP C=C(C)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001268691252 804929511 /nfs/dbraw/zinc/92/95/11/804929511.db2.gz RJMRWRJZZKZSME-HOCLYGCPSA-N 2 1 293.455 2.064 20 30 CEEDMP C=CCCC[NH+]1CCC(CNC(=O)C[N@H+](C)C(C)C)CC1 ZINC001225582966 804974111 /nfs/dbraw/zinc/97/41/11/804974111.db2.gz XJMDVWDRNCLYEA-UHFFFAOYSA-N 2 1 295.471 2.121 20 30 CEEDMP C=CC[NH2+]CC1(NC(=O)C[N@H+](C)CC(C)(C)C)CCCC1 ZINC001269576046 805203738 /nfs/dbraw/zinc/20/37/38/805203738.db2.gz VIBRCTWODCOJCX-UHFFFAOYSA-N 2 1 295.471 2.169 20 30 CEEDMP C#Cc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)cc1 ZINC001237406355 808216572 /nfs/dbraw/zinc/21/65/72/808216572.db2.gz UHXRTSWRQFTDRY-IRXDYDNUSA-N 2 1 254.377 2.242 20 30 CEEDMP C#Cc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)cc1 ZINC001237406355 808216579 /nfs/dbraw/zinc/21/65/79/808216579.db2.gz UHXRTSWRQFTDRY-IRXDYDNUSA-N 2 1 254.377 2.242 20 30 CEEDMP C=C(C)C[NH2+]C1(CNC(=O)C[N@H+](C)C(C)C)CCCCC1 ZINC001120207695 815204328 /nfs/dbraw/zinc/20/43/28/815204328.db2.gz AYKDFVXDVVNFLQ-UHFFFAOYSA-N 2 1 295.471 2.311 20 30 CEEDMP C=CCC[NH+]1CCCC[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001034397823 809600696 /nfs/dbraw/zinc/60/06/96/809600696.db2.gz LUEIIKNMBBEYBP-HZPDHXFCSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCC[N@H+]1CCCC[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001034397823 809600701 /nfs/dbraw/zinc/60/07/01/809600701.db2.gz LUEIIKNMBBEYBP-HZPDHXFCSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCC[N@@H+]1CCCC[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001034397823 809600703 /nfs/dbraw/zinc/60/07/03/809600703.db2.gz LUEIIKNMBBEYBP-HZPDHXFCSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CC[NH+](CC=C)C1CC[NH+](CCCOC)CC1 ZINC001172256493 815359740 /nfs/dbraw/zinc/35/97/40/815359740.db2.gz YZMAPCXZJXPKTD-UHFFFAOYSA-N 2 1 252.402 2.161 20 30 CEEDMP C[C@H](Cc1ccc(C#N)cc1)[NH2+]C[C@H]1CC[N@@H+](C)C1 ZINC001172291477 815382852 /nfs/dbraw/zinc/38/28/52/815382852.db2.gz ZCVOCYVBFVDIDF-CZUORRHYSA-N 2 1 257.381 2.031 20 30 CEEDMP C=C(C)CC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001039051685 810975529 /nfs/dbraw/zinc/97/55/29/810975529.db2.gz XTHCXZPZQGLPDK-HOTGVXAUSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001039051685 810975534 /nfs/dbraw/zinc/97/55/34/810975534.db2.gz XTHCXZPZQGLPDK-HOTGVXAUSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001039051685 810975540 /nfs/dbraw/zinc/97/55/40/810975540.db2.gz XTHCXZPZQGLPDK-HOTGVXAUSA-N 2 1 293.455 2.018 20 30 CEEDMP C[C@H](CCCC#N)[NH+]1CCN(CC2CC[NH+](C)CC2)CC1 ZINC001172510176 815458570 /nfs/dbraw/zinc/45/85/70/815458570.db2.gz WNFQWUUYTUOQGQ-MRXNPFEDSA-N 2 1 292.471 2.028 20 30 CEEDMP C=CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001052955874 812478465 /nfs/dbraw/zinc/47/84/65/812478465.db2.gz KTVIQPPVFDLNTI-HOTGVXAUSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001052955874 812478469 /nfs/dbraw/zinc/47/84/69/812478469.db2.gz KTVIQPPVFDLNTI-HOTGVXAUSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001052955874 812478473 /nfs/dbraw/zinc/47/84/73/812478473.db2.gz KTVIQPPVFDLNTI-HOTGVXAUSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCCC[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001129430264 812494108 /nfs/dbraw/zinc/49/41/08/812494108.db2.gz QRBLCUNUQOJKPN-INIZCTEOSA-N 2 1 293.455 2.065 20 30 CEEDMP C=CC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001052620895 813013790 /nfs/dbraw/zinc/01/37/90/813013790.db2.gz VAZVHDQBLQXBGZ-HNNXBMFYSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)CC[NH2+]CCNC(=O)C[N@H+](C)CCCCCC ZINC001135436866 813436013 /nfs/dbraw/zinc/43/60/13/813436013.db2.gz DHJZZNTUCJWRCE-UHFFFAOYSA-N 2 1 283.460 2.171 20 30 CEEDMP C=CC[N@@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)CC[C@@H]1C ZINC001071686022 813464308 /nfs/dbraw/zinc/46/43/08/813464308.db2.gz LZGTYQGCARYBSC-ZFWWWQNUSA-N 2 1 298.390 2.103 20 30 CEEDMP C=CCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CC[N@H+](C)CC ZINC001135861231 813550245 /nfs/dbraw/zinc/55/02/45/813550245.db2.gz OHJZSWANLAHGOW-GJZGRUSLSA-N 2 1 283.460 2.167 20 30 CEEDMP C=CCCC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@H+](C)CCC ZINC001135980590 813577753 /nfs/dbraw/zinc/57/77/53/813577753.db2.gz QHBYDFVEYIKJJK-CABCVRRESA-N 2 1 283.460 2.167 20 30 CEEDMP C=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001170877318 813585902 /nfs/dbraw/zinc/58/59/02/813585902.db2.gz BCAMPVUPLDKSHD-OWCLPIDISA-N 2 1 295.471 2.167 20 30 CEEDMP C=CCOC1CCC([NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC001173319252 815691378 /nfs/dbraw/zinc/69/13/78/815691378.db2.gz BPBTUMXYEAOEEQ-PRLABOORSA-N 2 1 266.429 2.430 20 30 CEEDMP C=CCOC1CCC([NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)CC1 ZINC001173319252 815691385 /nfs/dbraw/zinc/69/13/85/815691385.db2.gz BPBTUMXYEAOEEQ-PRLABOORSA-N 2 1 266.429 2.430 20 30 CEEDMP C=C(C)CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001176566194 816442840 /nfs/dbraw/zinc/44/28/40/816442840.db2.gz ZKOCPKWLLLJXLP-HZPDHXFCSA-N 2 1 295.471 2.169 20 30 CEEDMP C=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001176759538 816472862 /nfs/dbraw/zinc/47/28/62/816472862.db2.gz JHVNIVFJIPILQQ-CVEARBPZSA-N 2 1 295.471 2.311 20 30 CEEDMP CNC(NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)=[NH+]C ZINC000057887894 343640629 /nfs/dbraw/zinc/64/06/29/343640629.db2.gz NSDWSTMUMBZKKB-AWEZNQCLSA-N 2 1 288.439 2.356 20 30 CEEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000602516398 347064539 /nfs/dbraw/zinc/06/45/39/347064539.db2.gz KQKQXHRFHQGHHD-BZUAXINKSA-N 2 1 291.439 2.302 20 30 CEEDMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CC(C)(C)CC#N ZINC000591770330 345279059 /nfs/dbraw/zinc/27/90/59/345279059.db2.gz VYYZQBAGFXWAIC-INIZCTEOSA-N 2 1 289.423 2.009 20 30 CEEDMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CC(C)(C)CC#N ZINC000591770330 345279063 /nfs/dbraw/zinc/27/90/63/345279063.db2.gz VYYZQBAGFXWAIC-INIZCTEOSA-N 2 1 289.423 2.009 20 30 CEEDMP N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cc1 ZINC000593730195 345528869 /nfs/dbraw/zinc/52/88/69/345528869.db2.gz LPHUPMKAYWMLJI-KURKYZTESA-N 2 1 299.418 2.419 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@H](c1cncc(F)c1)C1CC1 ZINC000295006099 539497538 /nfs/dbraw/zinc/49/75/38/539497538.db2.gz MIFBLGKZGZOAQQ-INIZCTEOSA-N 2 1 275.371 2.217 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](c1cncc(F)c1)C1CC1 ZINC000295006099 539497544 /nfs/dbraw/zinc/49/75/44/539497544.db2.gz MIFBLGKZGZOAQQ-INIZCTEOSA-N 2 1 275.371 2.217 20 30 CEEDMP N#CCc1cccc2c1CC[N@@H+](CC[C@@H]1CC[NH2+]C1)C2 ZINC000600752408 346684484 /nfs/dbraw/zinc/68/44/84/346684484.db2.gz WTZNKOSOGZOARR-AWEZNQCLSA-N 2 1 269.392 2.110 20 30 CEEDMP C[NH+]1CCC2(CC[N@@H+](CCOc3ccccc3C#N)C2)CC1 ZINC000602878071 347235101 /nfs/dbraw/zinc/23/51/01/347235101.db2.gz TZKWEZXPUQYCQT-UHFFFAOYSA-N 2 1 299.418 2.355 20 30 CEEDMP COc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1C#N ZINC000090720325 180030072 /nfs/dbraw/zinc/03/00/72/180030072.db2.gz MRWLGXDIOUAIIX-SWLSCSKDSA-N 2 1 273.380 2.139 20 30 CEEDMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1C#N ZINC000090720325 180030073 /nfs/dbraw/zinc/03/00/73/180030073.db2.gz MRWLGXDIOUAIIX-SWLSCSKDSA-N 2 1 273.380 2.139 20 30 CEEDMP C[N@@H+](CCCC1(C#N)CCOCC1)C[C@H]1CCC[NH+](C)C1 ZINC000337189810 366064491 /nfs/dbraw/zinc/06/44/91/366064491.db2.gz RJOKBAVOEJFYNC-INIZCTEOSA-N 2 1 293.455 2.361 20 30 CEEDMP C[NH+](CCCC1(C#N)CCOCC1)C[C@H]1CCC[N@H+](C)C1 ZINC000337189810 366064498 /nfs/dbraw/zinc/06/44/98/366064498.db2.gz RJOKBAVOEJFYNC-INIZCTEOSA-N 2 1 293.455 2.361 20 30 CEEDMP C[NH+](CCCC1(C#N)CCOCC1)C[C@H]1CCC[N@@H+](C)C1 ZINC000337189810 366064503 /nfs/dbraw/zinc/06/45/03/366064503.db2.gz RJOKBAVOEJFYNC-INIZCTEOSA-N 2 1 293.455 2.361 20 30 CEEDMP CC[N@@H+](C)C[C@H]1CC[NH+](CCCC2(C#N)CCOCC2)C1 ZINC000337190064 366064841 /nfs/dbraw/zinc/06/48/41/366064841.db2.gz RMKHGBBHAAFCBY-MRXNPFEDSA-N 2 1 293.455 2.361 20 30 CEEDMP CC[NH+](C)C[C@H]1CC[N@H+](CCCC2(C#N)CCOCC2)C1 ZINC000337190064 366064847 /nfs/dbraw/zinc/06/48/47/366064847.db2.gz RMKHGBBHAAFCBY-MRXNPFEDSA-N 2 1 293.455 2.361 20 30 CEEDMP CC[NH+](C)C[C@H]1CC[N@@H+](CCCC2(C#N)CCOCC2)C1 ZINC000337190064 366064852 /nfs/dbraw/zinc/06/48/52/366064852.db2.gz RMKHGBBHAAFCBY-MRXNPFEDSA-N 2 1 293.455 2.361 20 30 CEEDMP CC[N@H+]1CC[C@H]([NH2+]CCc2cccc(C#N)c2)[C@H](C)C1 ZINC000343618556 367919455 /nfs/dbraw/zinc/91/94/55/367919455.db2.gz TVSJUPURHVUKCT-PBHICJAKSA-N 2 1 271.408 2.421 20 30 CEEDMP C=C(C)[C@@H](CO)[N@H+](C)CCCc1nccn1CCC ZINC000683224485 541776473 /nfs/dbraw/zinc/77/64/73/541776473.db2.gz KAVLYGIAIKTZQZ-CQSZACIVSA-N 2 1 265.401 2.095 20 30 CEEDMP C=C(C)[C@@H](CO)[N@@H+](C)CCCc1[nH+]ccn1CCC ZINC000683224485 541776475 /nfs/dbraw/zinc/77/64/75/541776475.db2.gz KAVLYGIAIKTZQZ-CQSZACIVSA-N 2 1 265.401 2.095 20 30 CEEDMP C=C(C)[C@@H](CO)[N@H+](C)CCCc1[nH+]ccn1CCC ZINC000683224485 541776478 /nfs/dbraw/zinc/77/64/78/541776478.db2.gz KAVLYGIAIKTZQZ-CQSZACIVSA-N 2 1 265.401 2.095 20 30 CEEDMP C[C@@H](CCC#N)[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000351413568 369635402 /nfs/dbraw/zinc/63/54/02/369635402.db2.gz MDJKIIYWSQNJMT-HRCADAONSA-N 2 1 293.455 2.500 20 30 CEEDMP C=C(C)CC[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000351759761 369651297 /nfs/dbraw/zinc/65/12/97/369651297.db2.gz STHIAOWDSVYTDV-RRFJBIMHSA-N 2 1 252.402 2.136 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCO[C@@H](C)C2)CC1 ZINC000359394547 371459493 /nfs/dbraw/zinc/45/94/93/371459493.db2.gz UCSHWHZURBWDRY-DZGCQCFKSA-N 2 1 252.402 2.184 20 30 CEEDMP C=CCc1cc(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)cc(OC)c1O ZINC000261683256 371701766 /nfs/dbraw/zinc/70/17/66/371701766.db2.gz KEHWKJTUHSDYPX-KRWDZBQOSA-N 2 1 290.407 2.300 20 30 CEEDMP C=CCc1cc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)cc(OC)c1O ZINC000261683256 371701769 /nfs/dbraw/zinc/70/17/69/371701769.db2.gz KEHWKJTUHSDYPX-KRWDZBQOSA-N 2 1 290.407 2.300 20 30 CEEDMP CCc1cccc(CC)c1NC(=[NH2+])NC[C@H]1CC[N@@H+](C)C1 ZINC000264086391 371967238 /nfs/dbraw/zinc/96/72/38/371967238.db2.gz JOTDUHKRLKPUNL-CYBMUJFWSA-N 2 1 288.439 2.490 20 30 CEEDMP CCc1cccc(NC(=[NH2+])NCC[N@H+](C)C2CC2)c1 ZINC000264098445 371968998 /nfs/dbraw/zinc/96/89/98/371968998.db2.gz NBNMKPDPRSUOCM-UHFFFAOYSA-N 2 1 260.385 2.070 20 30 CEEDMP CCc1cccc(NC(=[NH2+])NCC[N@@H+](C)C2CC2)c1 ZINC000264098445 371969002 /nfs/dbraw/zinc/96/90/02/371969002.db2.gz NBNMKPDPRSUOCM-UHFFFAOYSA-N 2 1 260.385 2.070 20 30 CEEDMP C=CCCC[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000644635131 373573604 /nfs/dbraw/zinc/57/36/04/373573604.db2.gz ROUOBCWOTCVRNV-INIZCTEOSA-N 2 1 262.397 2.035 20 30 CEEDMP C=CCCC[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000644635131 373573609 /nfs/dbraw/zinc/57/36/09/373573609.db2.gz ROUOBCWOTCVRNV-INIZCTEOSA-N 2 1 262.397 2.035 20 30 CEEDMP COc1cc(CN2CC[C@@]3(CC[N@@H+](C)C3)C2)ccc1C#N ZINC000292796163 377285790 /nfs/dbraw/zinc/28/57/90/377285790.db2.gz MYVWZGHMNFRANB-QGZVFWFLSA-N 2 1 285.391 2.094 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000294911389 378028100 /nfs/dbraw/zinc/02/81/00/378028100.db2.gz GGPSVNCCDQILGR-AWEZNQCLSA-N 2 1 260.381 2.306 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000294911389 378028110 /nfs/dbraw/zinc/02/81/10/378028110.db2.gz GGPSVNCCDQILGR-AWEZNQCLSA-N 2 1 260.381 2.306 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)Cc1ccccc1OC ZINC000294974502 378032941 /nfs/dbraw/zinc/03/29/41/378032941.db2.gz KCQGHCHNABKTEV-HNNXBMFYSA-N 2 1 274.408 2.171 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)Cc1ccccc1OC ZINC000294974502 378032944 /nfs/dbraw/zinc/03/29/44/378032944.db2.gz KCQGHCHNABKTEV-HNNXBMFYSA-N 2 1 274.408 2.171 20 30 CEEDMP C[C@H](CC[NH2+]Cc1cc(C#N)n(C)c1)[NH+]1CCCCC1 ZINC000191589801 130258521 /nfs/dbraw/zinc/25/85/21/130258521.db2.gz FOZKHRFXYNZKOV-CQSZACIVSA-N 2 1 274.412 2.251 20 30 CEEDMP C[C@@H](CC[NH2+]Cc1cc(C#N)n(C)c1)[NH+]1CCCCC1 ZINC000191589786 130258752 /nfs/dbraw/zinc/25/87/52/130258752.db2.gz FOZKHRFXYNZKOV-AWEZNQCLSA-N 2 1 274.412 2.251 20 30 CEEDMP C[NH+]=C(NC[C@H](c1cccs1)[NH+]1CCCC1)N(C)C ZINC000262604559 394620593 /nfs/dbraw/zinc/62/05/93/394620593.db2.gz ZNHNGNKVXXLYNM-GFCCVEGCSA-N 2 1 280.441 2.022 20 30 CEEDMP COc1ccc(NC(=[NH2+])NCC[N@@H+](C)C2CCCC2)cc1 ZINC000267416791 394678286 /nfs/dbraw/zinc/67/82/86/394678286.db2.gz JJTSEFBMVKLBFR-UHFFFAOYSA-N 2 1 290.411 2.296 20 30 CEEDMP Cc1ccc(NC(=[NH2+])NCC2=CC[N@@H+](C)CC2)cc1C ZINC000271796123 394764276 /nfs/dbraw/zinc/76/42/76/394764276.db2.gz KBADVOYFUJWVCQ-UHFFFAOYSA-N 2 1 272.396 2.292 20 30 CEEDMP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](CCC(C)(C)C#N)CC1 ZINC000119641925 394770608 /nfs/dbraw/zinc/77/06/08/394770608.db2.gz YUOOIGCKDFZDOU-INIZCTEOSA-N 2 1 292.471 2.028 20 30 CEEDMP C[N@H+]1CCCC[C@H]1CN1CC[NH+](CCC(C)(C)C#N)CC1 ZINC000119641925 394770611 /nfs/dbraw/zinc/77/06/11/394770611.db2.gz YUOOIGCKDFZDOU-INIZCTEOSA-N 2 1 292.471 2.028 20 30 CEEDMP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000353594754 395302834 /nfs/dbraw/zinc/30/28/34/395302834.db2.gz NNNXODHNJMPFSY-MTSZKFMLSA-N 2 1 278.440 2.430 20 30 CEEDMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@H](C)CCC#N)C1 ZINC000411309188 395326943 /nfs/dbraw/zinc/32/69/43/395326943.db2.gz QRXVVKPQCNQYLY-CABCVRRESA-N 2 1 267.417 2.111 20 30 CEEDMP C=CCOCC[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000293963365 395260623 /nfs/dbraw/zinc/26/06/23/395260623.db2.gz CPROIGJGARBSID-HDICACEKSA-N 2 1 286.419 2.253 20 30 CEEDMP C=CCOCC[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000293963365 395260626 /nfs/dbraw/zinc/26/06/26/395260626.db2.gz CPROIGJGARBSID-HDICACEKSA-N 2 1 286.419 2.253 20 30 CEEDMP C=CCOCC[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000293963365 395260631 /nfs/dbraw/zinc/26/06/31/395260631.db2.gz CPROIGJGARBSID-HDICACEKSA-N 2 1 286.419 2.253 20 30 CEEDMP C=CC[N@@H+](C)CCN(CC)Cc1cc(OC)cc(C)[nH+]1 ZINC000411641954 395334172 /nfs/dbraw/zinc/33/41/72/395334172.db2.gz MNGBBXOBWSUBAX-UHFFFAOYSA-N 2 1 277.412 2.338 20 30 CEEDMP C=CC[N@H+](C)CCN(CC)Cc1cc(OC)cc(C)[nH+]1 ZINC000411641954 395334173 /nfs/dbraw/zinc/33/41/73/395334173.db2.gz MNGBBXOBWSUBAX-UHFFFAOYSA-N 2 1 277.412 2.338 20 30 CEEDMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCc3ccc(C#N)cc32)C1 ZINC000569040007 395572628 /nfs/dbraw/zinc/57/26/28/395572628.db2.gz PYLOABWVPKKNIV-PBHICJAKSA-N 2 1 269.392 2.477 20 30 CEEDMP C#CCN(C)CCC[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000491741050 395670662 /nfs/dbraw/zinc/67/06/62/395670662.db2.gz VKKXXNURSRWYFV-CYBMUJFWSA-N 2 1 273.355 2.303 20 30 CEEDMP C=CC[C@H]1CC[C@@H]([NH2+]CCCN2CCC[N@H+](C)CC2)C1 ZINC000651952922 401422969 /nfs/dbraw/zinc/42/29/69/401422969.db2.gz IETLKLYORKZOFO-DLBZAZTESA-N 2 1 279.472 2.348 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CO[C@H](CC)C2)CC1 ZINC000657352208 414880368 /nfs/dbraw/zinc/88/03/68/414880368.db2.gz FPBNZEUUHDLPMP-LSDHHAIUSA-N 2 1 252.402 2.184 20 30 CEEDMP C=CCOCC[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000309873562 262042807 /nfs/dbraw/zinc/04/28/07/262042807.db2.gz SVFIHUHQWIYBLQ-UHFFFAOYSA-N 2 1 274.408 2.443 20 30 CEEDMP C=CCOc1ccc(C[NH2+]CC2([NH3+])CCC2)cc1OC ZINC000414875976 263091103 /nfs/dbraw/zinc/09/11/03/263091103.db2.gz CPRWJAAOYQYAKR-UHFFFAOYSA-N 2 1 276.380 2.231 20 30 CEEDMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2cccc(C#N)c2)C[C@H]1C[NH3+] ZINC000397318354 267075367 /nfs/dbraw/zinc/07/53/67/267075367.db2.gz ABVKUHCENOZCDV-XJKCOSOUSA-N 2 1 257.381 2.363 20 30 CEEDMP C=CCOc1ccc(C[NH2+]CC(C)(C)[NH3+])cc1OC ZINC000414800747 328230683 /nfs/dbraw/zinc/23/06/83/328230683.db2.gz INYCBMAWMBCOCF-UHFFFAOYSA-N 2 1 264.369 2.087 20 30 CEEDMP CC(C)[N@@H+](C)CCCNC(=[NH2+])Nc1cc(F)ccc1F ZINC000288762996 328253678 /nfs/dbraw/zinc/25/36/78/328253678.db2.gz SPCZJYPMWANFJK-UHFFFAOYSA-N 2 1 284.354 2.422 20 30 CEEDMP C#Cc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000377543214 329018492 /nfs/dbraw/zinc/01/84/92/329018492.db2.gz QCHHKZWNCBBEGP-DLBZAZTESA-N 2 1 254.377 2.384 20 30 CEEDMP CC[NH+]=C(NCC1(C)CCCC1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000262799316 330032287 /nfs/dbraw/zinc/03/22/87/330032287.db2.gz QLHGSIBFVMPCRB-AWEZNQCLSA-N 2 1 292.471 2.359 20 30 CEEDMP CC[NH+]=C(NCC1(C)CCCC1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000262799316 330032288 /nfs/dbraw/zinc/03/22/88/330032288.db2.gz QLHGSIBFVMPCRB-AWEZNQCLSA-N 2 1 292.471 2.359 20 30 CEEDMP C[NH+](C)C1(CNC(=[NH2+])Nc2cccc3c2CCCC3)CC1 ZINC000263163171 330046771 /nfs/dbraw/zinc/04/67/71/330046771.db2.gz QVZQBBACMUFLDW-UHFFFAOYSA-N 2 1 286.423 2.386 20 30 CEEDMP C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000423093493 330169489 /nfs/dbraw/zinc/16/94/89/330169489.db2.gz HSWQXUBYLIGTGH-HUBLWGQQSA-N 2 1 261.369 2.126 20 30 CEEDMP C=CC[C@@H](C)[C@@H](C)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423523085 330210065 /nfs/dbraw/zinc/21/00/65/330210065.db2.gz VJTQPDBYSQCAHL-NUWOQIAWSA-N 2 1 279.472 2.393 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(F)c(OC)c1 ZINC000328104903 330314037 /nfs/dbraw/zinc/31/40/37/330314037.db2.gz MFYBMWJYDYTCGP-CYBMUJFWSA-N 2 1 278.371 2.440 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(F)c(OC)c1 ZINC000328104903 330314038 /nfs/dbraw/zinc/31/40/38/330314038.db2.gz MFYBMWJYDYTCGP-CYBMUJFWSA-N 2 1 278.371 2.440 20 30 CEEDMP CC(C)(C)NC(=[NH2+])NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000195291218 331166707 /nfs/dbraw/zinc/16/67/07/331166707.db2.gz WKSXYUQYFAQLTF-OAHLLOKOSA-N 2 1 288.439 2.211 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](CCC)c1cccnc1 ZINC000491536375 332231841 /nfs/dbraw/zinc/23/18/41/332231841.db2.gz JFEWPDBJXBJLQR-MRXNPFEDSA-N 2 1 259.397 2.468 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@H](CCC)c1cccnc1 ZINC000491536375 332231842 /nfs/dbraw/zinc/23/18/42/332231842.db2.gz JFEWPDBJXBJLQR-MRXNPFEDSA-N 2 1 259.397 2.468 20 30 CEEDMP C#CCn1ccc(C[N@H+](CC)CCCCn2cc[nH+]c2C)n1 ZINC000491623809 332248225 /nfs/dbraw/zinc/24/82/25/332248225.db2.gz HTZQFBZXHIXCAF-UHFFFAOYSA-N 2 1 299.422 2.324 20 30 CEEDMP C#CCn1ccc(C[N@@H+](CC)CCCCn2cc[nH+]c2C)n1 ZINC000491623809 332248226 /nfs/dbraw/zinc/24/82/26/332248226.db2.gz HTZQFBZXHIXCAF-UHFFFAOYSA-N 2 1 299.422 2.324 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CS[C@@H](C(C)C)C1 ZINC000894862489 629702658 /nfs/dbraw/zinc/70/26/58/629702658.db2.gz BIZVDPVPYYUBBH-UONOGXRCSA-N 2 1 254.443 2.061 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CS[C@@H](C(C)C)C1 ZINC000894862489 629702667 /nfs/dbraw/zinc/70/26/67/629702667.db2.gz BIZVDPVPYYUBBH-UONOGXRCSA-N 2 1 254.443 2.061 20 30 CEEDMP CCC[N@@H+](CC)CCNC(=[NH2+])NC1CCCCCC1 ZINC000179867220 628065097 /nfs/dbraw/zinc/06/50/97/628065097.db2.gz CFUFPFWIDHJQTF-UHFFFAOYSA-N 2 1 268.449 2.345 20 30 CEEDMP C=CC[NH2+]C1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001026491718 628336306 /nfs/dbraw/zinc/33/63/06/628336306.db2.gz JUTQRDUZFPABER-GPANFISMSA-N 2 1 293.455 2.062 20 30 CEEDMP CCc1ccc(NC(=[NH2+])NCC[N@@H+](C)C(C)C)cc1 ZINC000104191686 628733620 /nfs/dbraw/zinc/73/36/20/628733620.db2.gz QMZYLQOWPIRVFC-UHFFFAOYSA-N 2 1 262.401 2.316 20 30 CEEDMP C=CCC[C@@H]([NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1)C1CC1 ZINC000925800141 628847354 /nfs/dbraw/zinc/84/73/54/628847354.db2.gz XIASJOMNKYNIBP-JKSUJKDBSA-N 2 1 278.440 2.480 20 30 CEEDMP CC[NH+]=C(NCCn1cc[nH+]c1C)N1CC[C@](C)(CC)C1 ZINC000261864982 629287679 /nfs/dbraw/zinc/28/76/79/629287679.db2.gz ZXICNIIOBZLGKA-INIZCTEOSA-N 2 1 291.443 2.279 20 30 CEEDMP C[NH+]=C(NCCC1=CCCC1)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261935866 629346354 /nfs/dbraw/zinc/34/63/54/629346354.db2.gz CKFHKGQNWRKQOF-XJKSGUPXSA-N 2 1 290.455 2.135 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CS[C@H](C(C)C)C1 ZINC000894862487 629702166 /nfs/dbraw/zinc/70/21/66/629702166.db2.gz BIZVDPVPYYUBBH-KBPBESRZSA-N 2 1 254.443 2.061 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CS[C@H](C(C)C)C1 ZINC000894862487 629702167 /nfs/dbraw/zinc/70/21/67/629702167.db2.gz BIZVDPVPYYUBBH-KBPBESRZSA-N 2 1 254.443 2.061 20 30 CEEDMP C#CC[NH+]1CCC(Nc2[nH+]cnc3[nH]cc(CC)c32)CC1 ZINC000895811801 630357777 /nfs/dbraw/zinc/35/77/77/630357777.db2.gz WEJRUBNHTHBYAW-UHFFFAOYSA-N 2 1 283.379 2.030 20 30 CEEDMP C=C(CC[NH+](C)C)C(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000900214410 633594693 /nfs/dbraw/zinc/59/46/93/633594693.db2.gz DTXVASOKJIMINS-MRXNPFEDSA-N 2 1 295.471 2.265 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](O)c2ccccc2)CC1 ZINC000819024002 634043534 /nfs/dbraw/zinc/04/35/34/634043534.db2.gz MBANGLQUVFXWLP-KRWDZBQOSA-N 2 1 274.408 2.350 20 30 CEEDMP C[N@@H+](CCCC[NH2+]C[C@H](O)c1ccc(C#N)cc1)C1CC1 ZINC000819362663 634155392 /nfs/dbraw/zinc/15/53/92/634155392.db2.gz PQBASTWGAJIOCV-KRWDZBQOSA-N 2 1 287.407 2.056 20 30 CEEDMP Cc1cc(C#N)cc(C)c1C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000903448272 635134017 /nfs/dbraw/zinc/13/40/17/635134017.db2.gz BNOLYGRHTUHVCT-QGZVFWFLSA-N 2 1 269.392 2.361 20 30 CEEDMP C[N@@H+](Cc1cc(C#N)cs1)C[C@@H]1CCCC[NH2+]C1 ZINC000903825614 635293564 /nfs/dbraw/zinc/29/35/64/635293564.db2.gz BDIOBEDISQBINT-GFCCVEGCSA-N 2 1 263.410 2.441 20 30 CEEDMP C[N@H+](Cc1cc(C#N)cs1)C[C@@H]1CCCC[NH2+]C1 ZINC000903825614 635293568 /nfs/dbraw/zinc/29/35/68/635293568.db2.gz BDIOBEDISQBINT-GFCCVEGCSA-N 2 1 263.410 2.441 20 30 CEEDMP CCC[N@H+]1CC[C@H](CNC(NC(C)(C)C)=[NH+]CC2CC2)C1 ZINC000912505551 638712258 /nfs/dbraw/zinc/71/22/58/638712258.db2.gz GDFBGYOMJLXPMI-OAHLLOKOSA-N 2 1 294.487 2.462 20 30 CEEDMP C#CCCCCCC[NH2+]C1CC[NH+](CCOC)CC1 ZINC000876987403 650520553 /nfs/dbraw/zinc/52/05/53/650520553.db2.gz WOHOXDPLNFBDTR-UHFFFAOYSA-N 2 1 266.429 2.271 20 30 CEEDMP CC[N@H+](CC[NH2+][C@@H](C)CC1(C#N)CCOCC1)C(C)C ZINC000876995234 650523921 /nfs/dbraw/zinc/52/39/21/650523921.db2.gz CLRUMGLILSIOHW-HNNXBMFYSA-N 2 1 281.444 2.405 20 30 CEEDMP CC[N@@H+](CC[NH2+][C@@H](C)CC1(C#N)CCOCC1)C(C)C ZINC000876995234 650523923 /nfs/dbraw/zinc/52/39/23/650523923.db2.gz CLRUMGLILSIOHW-HNNXBMFYSA-N 2 1 281.444 2.405 20 30 CEEDMP C#Cc1cccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000848552529 642050193 /nfs/dbraw/zinc/05/01/93/642050193.db2.gz LYHMNUQZTXGFBV-SFHVURJKSA-N 2 1 284.403 2.011 20 30 CEEDMP C=CC[NH2+]C1CCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000996674931 642126590 /nfs/dbraw/zinc/12/65/90/642126590.db2.gz DNFQWRLJBDVHCW-INIZCTEOSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CC[NH+](CC=C)[C@H](CNC(=[NH2+])NC1CCC1)C(C)C ZINC000848991531 642212190 /nfs/dbraw/zinc/21/21/90/642212190.db2.gz LSTCPUDJYSQOTG-OAHLLOKOSA-N 2 1 278.444 2.351 20 30 CEEDMP C=C(C)C[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC000998865647 642442151 /nfs/dbraw/zinc/44/21/51/642442151.db2.gz GPDPPOGSFWNJCT-UYSNPLJNSA-N 2 1 293.455 2.016 20 30 CEEDMP N#Cc1cc(C[NH2+]C[C@H]2CCn3cc[nH+]c3C2)cs1 ZINC000922063142 642861415 /nfs/dbraw/zinc/86/14/15/642861415.db2.gz DDZQWYHYGZWVHK-NSHDSACASA-N 2 1 272.377 2.168 20 30 CEEDMP C=CC[N@@H+](CCc1ccccc1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923308099 643648962 /nfs/dbraw/zinc/64/89/62/643648962.db2.gz BCTGPQUEGVXYRV-KRWDZBQOSA-N 2 1 286.419 2.096 20 30 CEEDMP C=CCC[C@H](O)C[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000923413391 643701974 /nfs/dbraw/zinc/70/19/74/643701974.db2.gz FOHRZOCNYPOSNP-DZGCQCFKSA-N 2 1 254.418 2.010 20 30 CEEDMP CC[NH+](CC)CCC[NH2+]Cc1cc(C#N)ccc1N(C)C ZINC000865397483 647272171 /nfs/dbraw/zinc/27/21/71/647272171.db2.gz FZXRUXSSKKUUEB-UHFFFAOYSA-N 2 1 288.439 2.446 20 30 CEEDMP CC[NH+]1CCC([NH2+][C@H]2Cc3ccc(C#N)cc3C2)CC1 ZINC000866616563 647843273 /nfs/dbraw/zinc/84/32/73/647843273.db2.gz ZOSJFVGYUONGHM-KRWDZBQOSA-N 2 1 269.392 2.099 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2cc[nH]c(=O)c2)CC1 ZINC000791135375 648484473 /nfs/dbraw/zinc/48/44/73/648484473.db2.gz IEQTZLOMSAKECA-ZDUSSCGKSA-N 2 1 275.396 2.478 20 30 CEEDMP C[C@H]1C[C@@H](C[N@@H+](C)CCc2cccc(C#N)c2)CC[NH2+]1 ZINC000873219021 649595004 /nfs/dbraw/zinc/59/50/04/649595004.db2.gz CRNPNHKVLOSFHH-YOEHRIQHSA-N 2 1 271.408 2.421 20 30 CEEDMP C=CCCC[N@H+](CCOC)CC1CC[NH+](C)CC1 ZINC000879125107 651247477 /nfs/dbraw/zinc/24/74/77/651247477.db2.gz PJSMOMSPFIGPOM-UHFFFAOYSA-N 2 1 254.418 2.243 20 30 CEEDMP C[N@H+]1CC[C@H]2C[NH+](CCc3ccc(C#N)cc3)CC[C@@H]21 ZINC000879579910 651326728 /nfs/dbraw/zinc/32/67/28/651326728.db2.gz QDCFMOCGXKXRDG-IRXDYDNUSA-N 2 1 269.392 2.127 20 30 CEEDMP C[NH+]1CC[C@H]2C[N@H+](CCc3ccc(C#N)cc3)CC[C@@H]21 ZINC000879579910 651326729 /nfs/dbraw/zinc/32/67/29/651326729.db2.gz QDCFMOCGXKXRDG-IRXDYDNUSA-N 2 1 269.392 2.127 20 30 CEEDMP C[NH+]1CC[C@H]2C[N@@H+](CCc3ccc(C#N)cc3)CC[C@@H]21 ZINC000879579910 651326731 /nfs/dbraw/zinc/32/67/31/651326731.db2.gz QDCFMOCGXKXRDG-IRXDYDNUSA-N 2 1 269.392 2.127 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+]Cc1cnc2c(F)cccc2c1 ZINC000883131082 652371751 /nfs/dbraw/zinc/37/17/51/652371751.db2.gz FNFQKIHLCYEQIK-UHFFFAOYSA-N 2 1 285.366 2.419 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1cnc2c(F)cccc2c1 ZINC000883131082 652371757 /nfs/dbraw/zinc/37/17/57/652371757.db2.gz FNFQKIHLCYEQIK-UHFFFAOYSA-N 2 1 285.366 2.419 20 30 CEEDMP C=CCC[C@H]([NH2+]C1CC[NH+](C)CC1)[C@@H]1CCCO1 ZINC000883166919 652385858 /nfs/dbraw/zinc/38/58/58/652385858.db2.gz LPWSVUFCGXHKBT-GJZGRUSLSA-N 2 1 252.402 2.184 20 30 CEEDMP C=C(C)CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001271540118 805987929 /nfs/dbraw/zinc/98/79/29/805987929.db2.gz PHUDCOYJNJDQNJ-JKSUJKDBSA-N 2 1 295.471 2.121 20 30 CEEDMP C=C(C)C[NH2+]CC[C@H]1CCCCN1C(=O)CC[N@H+](C)CC ZINC001271601080 805998747 /nfs/dbraw/zinc/99/87/47/805998747.db2.gz VQISPIFJVGMEIZ-MRXNPFEDSA-N 2 1 295.471 2.265 20 30 CEEDMP C=CC[NH2+]CC1(CCNC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001167240938 802598795 /nfs/dbraw/zinc/59/87/95/802598795.db2.gz WNSHOUWZLBKRFJ-UHFFFAOYSA-N 2 1 295.471 2.026 20 30 CEEDMP C=CCC[NH2+]CCN(C)C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001266754058 802880407 /nfs/dbraw/zinc/88/04/07/802880407.db2.gz FYTTZFUOXMXCQU-UHFFFAOYSA-N 2 1 295.471 2.264 20 30 CEEDMP C=CC[NH+](CC)CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001267242330 803280994 /nfs/dbraw/zinc/28/09/94/803280994.db2.gz GPTWDVUMKDLGTH-INIZCTEOSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CC[NH+](CC)CCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001267242330 803280999 /nfs/dbraw/zinc/28/09/99/803280999.db2.gz GPTWDVUMKDLGTH-INIZCTEOSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CC[N@H+]1CCC[C@@H]1CNC(=O)CCC[NH+]1CCCCC1 ZINC001267282257 803327147 /nfs/dbraw/zinc/32/71/47/803327147.db2.gz OZBXWSRTICDJNN-MRXNPFEDSA-N 2 1 293.455 2.019 20 30 CEEDMP C=C(C)CC[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001268138766 804481717 /nfs/dbraw/zinc/48/17/17/804481717.db2.gz CSKRJRWLBCUQRP-CVEARBPZSA-N 2 1 295.471 2.121 20 30 CEEDMP C=C(C)C[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1CC)C(C)C ZINC001268228835 804555712 /nfs/dbraw/zinc/55/57/12/804555712.db2.gz XNLZLJZXROXRIA-HOTGVXAUSA-N 2 1 295.471 2.167 20 30 CEEDMP C=C(C)C[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1CC)C(C)C ZINC001268228840 804556126 /nfs/dbraw/zinc/55/61/26/804556126.db2.gz XNLZLJZXROXRIA-JKSUJKDBSA-N 2 1 295.471 2.167 20 30 CEEDMP C=CC[NH2+]C[C@H]1CC[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001284220098 804908010 /nfs/dbraw/zinc/90/80/10/804908010.db2.gz NCYLNEZHCKOHOX-LSDHHAIUSA-N 2 1 295.471 2.025 20 30 CEEDMP C=CCC[NH2+]CCCN(C)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001268869559 804991773 /nfs/dbraw/zinc/99/17/73/804991773.db2.gz ZYESCHROUHNBRV-MRXNPFEDSA-N 2 1 295.471 2.264 20 30 CEEDMP N#CCc1cc(-n2cc(CC[NH3+])c3cc(O)ccc32)cc[nH+]1 ZINC001167987506 805556795 /nfs/dbraw/zinc/55/67/95/805556795.db2.gz PBICZXCFRUJTKX-UHFFFAOYSA-N 2 1 292.342 2.298 20 30 CEEDMP C=CC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CCC1 ZINC001273166741 810077544 /nfs/dbraw/zinc/07/75/44/810077544.db2.gz UAVFTLCHVWFIJH-OAHLLOKOSA-N 2 1 293.455 2.064 20 30 CEEDMP C[C@@H](Cc1ccc(C#N)cc1)[N@@H+](C)CCC[NH+](C)C ZINC001172308467 815364693 /nfs/dbraw/zinc/36/46/93/815364693.db2.gz KPJVKRYQJOALSQ-AWEZNQCLSA-N 2 1 259.397 2.373 20 30 CEEDMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)Cc1ccc(C#N)cc1 ZINC001172291139 815382031 /nfs/dbraw/zinc/38/20/31/815382031.db2.gz WLDNFNKMDXFMLE-ZDUSSCGKSA-N 2 1 268.364 2.284 20 30 CEEDMP C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001038322513 810823524 /nfs/dbraw/zinc/82/35/24/810823524.db2.gz SAFWKDQOYMBJBR-CVEARBPZSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001038322513 810823531 /nfs/dbraw/zinc/82/35/31/810823531.db2.gz SAFWKDQOYMBJBR-CVEARBPZSA-N 2 1 293.455 2.018 20 30 CEEDMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(C#N)cc1)C2 ZINC001169078828 811375924 /nfs/dbraw/zinc/37/59/24/811375924.db2.gz HURCVCQPQWXKSF-PHZGNYQRSA-N 2 1 255.365 2.273 20 30 CEEDMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(C#N)cc1)C2 ZINC001169078828 811375933 /nfs/dbraw/zinc/37/59/33/811375933.db2.gz HURCVCQPQWXKSF-PHZGNYQRSA-N 2 1 255.365 2.273 20 30 CEEDMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(C#N)cc1)C2 ZINC001169078827 811376223 /nfs/dbraw/zinc/37/62/23/811376223.db2.gz HURCVCQPQWXKSF-MUJYYYPQSA-N 2 1 255.365 2.273 20 30 CEEDMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(C#N)cc1)C2 ZINC001169078827 811376231 /nfs/dbraw/zinc/37/62/31/811376231.db2.gz HURCVCQPQWXKSF-MUJYYYPQSA-N 2 1 255.365 2.273 20 30 CEEDMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCOc1ccc(C#N)cc1)C2 ZINC001169107669 811402036 /nfs/dbraw/zinc/40/20/36/811402036.db2.gz JMOJVMYXCPTSSJ-PHZGNYQRSA-N 2 1 285.391 2.152 20 30 CEEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)CC[C@@H]1C ZINC001132433036 812848107 /nfs/dbraw/zinc/84/81/07/812848107.db2.gz JRDYKJAQRQPJFH-HOTGVXAUSA-N 2 1 295.471 2.264 20 30 CEEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CCC)CC[C@@H]1C ZINC001132435385 812849104 /nfs/dbraw/zinc/84/91/04/812849104.db2.gz CKNXRBWBINOMKO-HOTGVXAUSA-N 2 1 295.471 2.264 20 30 CEEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CCC)CC[C@@H]1C ZINC001132435385 812849111 /nfs/dbraw/zinc/84/91/11/812849111.db2.gz CKNXRBWBINOMKO-HOTGVXAUSA-N 2 1 295.471 2.264 20 30 CEEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CCC)CC[C@@H]1C ZINC001132435385 812849119 /nfs/dbraw/zinc/84/91/19/812849119.db2.gz CKNXRBWBINOMKO-HOTGVXAUSA-N 2 1 295.471 2.264 20 30 CEEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)CC[C@H]1C ZINC001132519068 812871461 /nfs/dbraw/zinc/87/14/61/812871461.db2.gz SEPKCGCKPLLEQH-CVEARBPZSA-N 2 1 295.471 2.262 20 30 CEEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)CC[C@H]1C ZINC001132519068 812871466 /nfs/dbraw/zinc/87/14/66/812871466.db2.gz SEPKCGCKPLLEQH-CVEARBPZSA-N 2 1 295.471 2.262 20 30 CEEDMP C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001246547001 813984131 /nfs/dbraw/zinc/98/41/31/813984131.db2.gz ONWKBHHUEFTQKM-XEZPLFJOSA-N 2 1 257.381 2.301 20 30 CEEDMP C[C@@H](Cc1cccc(C#N)c1)[N@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001246547001 813984137 /nfs/dbraw/zinc/98/41/37/813984137.db2.gz ONWKBHHUEFTQKM-XEZPLFJOSA-N 2 1 257.381 2.301 20 30 CEEDMP C=CC[N@@H+]1CCC[C@H]1CNc1cc(N(C)C)cc[nH+]1 ZINC001160954226 814281508 /nfs/dbraw/zinc/28/15/08/814281508.db2.gz RUJGESWHSBWXFZ-AWEZNQCLSA-N 2 1 260.385 2.210 20 30 CEEDMP C=CC[NH2+]CCCCCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001179378391 816859846 /nfs/dbraw/zinc/85/98/46/816859846.db2.gz BEJZSAFGWNGROU-HOTGVXAUSA-N 2 1 295.471 2.169 20 30 CEEDMP C=C(C)C[NH2+]CCCCCCNC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001179585465 816885279 /nfs/dbraw/zinc/88/52/79/816885279.db2.gz IMLCNZIKZRPJCM-CVEARBPZSA-N 2 1 295.471 2.026 20 30 CEEDMP C=CCOc1ccccc1C[N@H+](C)CC1CN(C)C1 ZINC000668537451 539192242 /nfs/dbraw/zinc/19/22/42/539192242.db2.gz HAUMMFIBWSURCZ-UHFFFAOYSA-N 2 1 260.381 2.245 20 30 CEEDMP N#Cc1ccccc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000130906671 344355875 /nfs/dbraw/zinc/35/58/75/344355875.db2.gz WLUUGQCIVYFAQZ-XHSDSOJGSA-N 2 1 255.365 2.117 20 30 CEEDMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)CC2(C#N)CCOCC2)C1 ZINC000602533034 347068363 /nfs/dbraw/zinc/06/83/63/347068363.db2.gz YMUISWNGYYBNNO-HOTGVXAUSA-N 2 1 293.455 2.407 20 30 CEEDMP C=CC[C@H](C)[C@H](C)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000442861196 344901571 /nfs/dbraw/zinc/90/15/71/344901571.db2.gz DBBVLZNZJTXRRO-GJZGRUSLSA-N 2 1 267.461 2.203 20 30 CEEDMP N#CCc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000594508210 345640333 /nfs/dbraw/zinc/64/03/33/345640333.db2.gz SRIUVZLSABYOAM-GOSISDBHSA-N 2 1 299.418 2.096 20 30 CEEDMP C=CCCSCC[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000596653037 346072415 /nfs/dbraw/zinc/07/24/15/346072415.db2.gz YTKRDQYNXDDHJA-LLVKDONJSA-N 2 1 251.399 2.454 20 30 CEEDMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]C[C@H](O)CC(C)(C)C#N)C1 ZINC000598699646 346403225 /nfs/dbraw/zinc/40/32/25/346403225.db2.gz HFRCMRSJYISLJP-OWCLPIDISA-N 2 1 295.471 2.245 20 30 CEEDMP Cc1ccc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1C#N ZINC000600707583 346674475 /nfs/dbraw/zinc/67/44/75/346674475.db2.gz BRSAGLOOTFZSLA-IRXDYDNUSA-N 2 1 269.392 2.428 20 30 CEEDMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=[NH2+])N1CCC(C)CC1 ZINC000130557036 365967367 /nfs/dbraw/zinc/96/73/67/365967367.db2.gz HKTBXRKZLHECMQ-OAHLLOKOSA-N 2 1 280.460 2.153 20 30 CEEDMP FC(F)[C@H]1CC[NH+](CC#CC[N@@H+]2CC[C@H](C(F)F)C2)C1 ZINC000671242496 540025096 /nfs/dbraw/zinc/02/50/96/540025096.db2.gz DLFITQXATVUPRG-RYUDHWBXSA-N 2 1 292.320 2.164 20 30 CEEDMP CC[NH+](CC)CCOc1ccc(C[NH2+]CCC#N)cc1 ZINC000579103176 366593919 /nfs/dbraw/zinc/59/39/19/366593919.db2.gz GSBYWCIIZIGJTG-UHFFFAOYSA-N 2 1 275.396 2.410 20 30 CEEDMP C=C(C)C[NH+]1CCC(N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC1 ZINC000153025580 366726201 /nfs/dbraw/zinc/72/62/01/366726201.db2.gz IUYGVIDGCAQQCO-GDBMZVCRSA-N 2 1 277.456 2.242 20 30 CEEDMP C=CCCC[C@@H](C)[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000678717357 541165494 /nfs/dbraw/zinc/16/54/94/541165494.db2.gz PFVQZCHXWXEYPS-IAGOWNOFSA-N 2 1 279.472 2.443 20 30 CEEDMP C=CCCC[C@H](C)[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000678717358 541165863 /nfs/dbraw/zinc/16/58/63/541165863.db2.gz PFVQZCHXWXEYPS-IRXDYDNUSA-N 2 1 279.472 2.443 20 30 CEEDMP C#CCOc1ccc(C[N@@H+](C)CC2CC[NH+](C)CC2)cc1 ZINC000093089057 364139380 /nfs/dbraw/zinc/13/93/80/364139380.db2.gz XSIJZDDJZCHCBB-UHFFFAOYSA-N 2 1 286.419 2.472 20 30 CEEDMP N#Cc1ccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)nc1 ZINC000584030173 367131940 /nfs/dbraw/zinc/13/19/40/367131940.db2.gz NNGHVKSVRXJSJJ-UHFFFAOYSA-N 2 1 284.407 2.261 20 30 CEEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC000357593889 370822745 /nfs/dbraw/zinc/82/27/45/370822745.db2.gz XNIBBVNKVHGPFQ-MRXNPFEDSA-N 2 1 293.455 2.018 20 30 CEEDMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=[NH2+])N(C)C)cc2)C1 ZINC000170911307 367446856 /nfs/dbraw/zinc/44/68/56/367446856.db2.gz GMRWNDIXDSPVEW-CQSZACIVSA-N 2 1 288.439 2.295 20 30 CEEDMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]Cc2cnc3ccc(C#N)cn23)C1 ZINC000175009044 368088942 /nfs/dbraw/zinc/08/89/42/368088942.db2.gz QPPCCYCBRZTBSE-HUUCEWRRSA-N 2 1 297.406 2.168 20 30 CEEDMP N#Cc1ccc([C@@H](O)C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000246007422 370898308 /nfs/dbraw/zinc/89/83/08/370898308.db2.gz KMBCBMYKLOIDSU-WMZOPIPTSA-N 2 1 299.418 2.009 20 30 CEEDMP N#Cc1ccc([C@@H](O)C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000246007422 370898315 /nfs/dbraw/zinc/89/83/15/370898315.db2.gz KMBCBMYKLOIDSU-WMZOPIPTSA-N 2 1 299.418 2.009 20 30 CEEDMP C=CCOCCC[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000348048925 368874178 /nfs/dbraw/zinc/87/41/78/368874178.db2.gz HODNRBRIOQURTH-UHFFFAOYSA-N 2 1 252.402 2.139 20 30 CEEDMP C=CCOCCC[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000348048925 368874183 /nfs/dbraw/zinc/87/41/83/368874183.db2.gz HODNRBRIOQURTH-UHFFFAOYSA-N 2 1 252.402 2.139 20 30 CEEDMP C=CCOc1cccc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000635000527 369035087 /nfs/dbraw/zinc/03/50/87/369035087.db2.gz QAQRDZWWNHLGBD-DZGCQCFKSA-N 2 1 260.381 2.278 20 30 CEEDMP CC[N@H+]1CC[C@H](N(C)Cc2cc(C#N)n(C)c2)[C@H](C)C1 ZINC000191396764 369709204 /nfs/dbraw/zinc/70/92/04/369709204.db2.gz AHRMFSMKXNAWQV-CJNGLKHVSA-N 2 1 274.412 2.059 20 30 CEEDMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(C#N)n(C)c2)[C@H](C)C1 ZINC000191396764 369709214 /nfs/dbraw/zinc/70/92/14/369709214.db2.gz AHRMFSMKXNAWQV-CJNGLKHVSA-N 2 1 274.412 2.059 20 30 CEEDMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(C#N)n(C)c2)[C@H](C)C1 ZINC000191396764 369709217 /nfs/dbraw/zinc/70/92/17/369709217.db2.gz AHRMFSMKXNAWQV-CJNGLKHVSA-N 2 1 274.412 2.059 20 30 CEEDMP Cc1cc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)ccc1C#N ZINC000336510813 213386516 /nfs/dbraw/zinc/38/65/16/213386516.db2.gz RDILCXGNDJPFFU-QGZVFWFLSA-N 2 1 269.392 2.394 20 30 CEEDMP Cc1cc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)ccc1C#N ZINC000336510813 213386517 /nfs/dbraw/zinc/38/65/17/213386517.db2.gz RDILCXGNDJPFFU-QGZVFWFLSA-N 2 1 269.392 2.394 20 30 CEEDMP Cc1cc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)ccc1C#N ZINC000336510813 213386520 /nfs/dbraw/zinc/38/65/20/213386520.db2.gz RDILCXGNDJPFFU-QGZVFWFLSA-N 2 1 269.392 2.394 20 30 CEEDMP Cc1cc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)ccc1C#N ZINC000336510813 213386522 /nfs/dbraw/zinc/38/65/22/213386522.db2.gz RDILCXGNDJPFFU-QGZVFWFLSA-N 2 1 269.392 2.394 20 30 CEEDMP CC[N@H+](CCC[NH+](C)C)Cc1ccc(OC)c(C#N)c1 ZINC000230713827 370466557 /nfs/dbraw/zinc/46/65/57/370466557.db2.gz PWURCJDNARUSFY-UHFFFAOYSA-N 2 1 275.396 2.340 20 30 CEEDMP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(OC)c(C#N)c1 ZINC000230713827 370466560 /nfs/dbraw/zinc/46/65/60/370466560.db2.gz PWURCJDNARUSFY-UHFFFAOYSA-N 2 1 275.396 2.340 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](CCC)OC)CC1 ZINC000638523757 370590579 /nfs/dbraw/zinc/59/05/79/370590579.db2.gz GQOSBCGXKHZQGM-OAHLLOKOSA-N 2 1 254.418 2.432 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)C[C@@H]2CCCC(=O)N2)CC1 ZINC000638523795 370590815 /nfs/dbraw/zinc/59/08/15/370590815.db2.gz HEPKCJJJFOAYDE-HOCLYGCPSA-N 2 1 293.455 2.064 20 30 CEEDMP C=CCC[C@H](O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246912884 371030755 /nfs/dbraw/zinc/03/07/55/371030755.db2.gz RZSZVGMEQCRDBF-XIRDDKMYSA-N 2 1 278.440 2.262 20 30 CEEDMP C=CCC[C@H](O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246912884 371030762 /nfs/dbraw/zinc/03/07/62/371030762.db2.gz RZSZVGMEQCRDBF-XIRDDKMYSA-N 2 1 278.440 2.262 20 30 CEEDMP C=CCC[C@H](O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246912884 371030767 /nfs/dbraw/zinc/03/07/67/371030767.db2.gz RZSZVGMEQCRDBF-XIRDDKMYSA-N 2 1 278.440 2.262 20 30 CEEDMP C[N@H+]1CCC[C@@H]2C[NH+](CCOc3ccc(C#N)cc3)CC[C@H]21 ZINC000247979804 371151829 /nfs/dbraw/zinc/15/18/29/371151829.db2.gz MGINDZPGMXYCSG-SJLPKXTDSA-N 2 1 299.418 2.353 20 30 CEEDMP C[NH+]1CCC[C@@H]2C[N@H+](CCOc3ccc(C#N)cc3)CC[C@H]21 ZINC000247979804 371151833 /nfs/dbraw/zinc/15/18/33/371151833.db2.gz MGINDZPGMXYCSG-SJLPKXTDSA-N 2 1 299.418 2.353 20 30 CEEDMP C[NH+]1CCC[C@@H]2C[N@@H+](CCOc3ccc(C#N)cc3)CC[C@H]21 ZINC000247979804 371151837 /nfs/dbraw/zinc/15/18/37/371151837.db2.gz MGINDZPGMXYCSG-SJLPKXTDSA-N 2 1 299.418 2.353 20 30 CEEDMP CCCCCCNC(=[NH2+])NCCCn1cc[nH+]c1C ZINC000264096995 371969120 /nfs/dbraw/zinc/96/91/20/371969120.db2.gz MYCWJALQITXVAI-UHFFFAOYSA-N 2 1 265.405 2.066 20 30 CEEDMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccc(C#N)cc2)C1 ZINC000269128663 372350957 /nfs/dbraw/zinc/35/09/57/372350957.db2.gz HGSGXQIEAYYUCW-DLBZAZTESA-N 2 1 269.392 2.474 20 30 CEEDMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccc(C#N)cc2)C1 ZINC000269128663 372350964 /nfs/dbraw/zinc/35/09/64/372350964.db2.gz HGSGXQIEAYYUCW-DLBZAZTESA-N 2 1 269.392 2.474 20 30 CEEDMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccc(C#N)cc2)C1 ZINC000269128663 372350970 /nfs/dbraw/zinc/35/09/70/372350970.db2.gz HGSGXQIEAYYUCW-DLBZAZTESA-N 2 1 269.392 2.474 20 30 CEEDMP C=CC[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000364226675 372697730 /nfs/dbraw/zinc/69/77/30/372697730.db2.gz ALPVHRPNOVKPIM-GASCZTMLSA-N 2 1 266.429 2.384 20 30 CEEDMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C#N)s2)[C@H](C)C1 ZINC000344543286 217225137 /nfs/dbraw/zinc/22/51/37/217225137.db2.gz PUYPXLBCTJJBMO-BXUZGUMPSA-N 2 1 263.410 2.440 20 30 CEEDMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C#N)s2)[C@H](C)C1 ZINC000344543286 217225140 /nfs/dbraw/zinc/22/51/40/217225140.db2.gz PUYPXLBCTJJBMO-BXUZGUMPSA-N 2 1 263.410 2.440 20 30 CEEDMP CCC#C[C@H](C)[N@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000643255216 373000517 /nfs/dbraw/zinc/00/05/17/373000517.db2.gz FWOBJKGUAVAVKG-KRWDZBQOSA-N 2 1 291.483 2.280 20 30 CEEDMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000562105103 376845228 /nfs/dbraw/zinc/84/52/28/376845228.db2.gz YUGFXFUSFHYARM-MRXNPFEDSA-N 2 1 266.348 2.111 20 30 CEEDMP C=CCc1cc(C[NH2+]C[C@@H](C)C[NH+](C)C)cc(OC)c1O ZINC000291704637 377206887 /nfs/dbraw/zinc/20/68/87/377206887.db2.gz KMZIHNJPOQJTGY-CYBMUJFWSA-N 2 1 292.423 2.417 20 30 CEEDMP C=CCC[C@@H](C)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432415085 377759130 /nfs/dbraw/zinc/75/91/30/377759130.db2.gz MRHKIVHGXHWQTE-CABCVRRESA-N 2 1 254.418 2.432 20 30 CEEDMP C=CCC[C@@H](C)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432415085 377759135 /nfs/dbraw/zinc/75/91/35/377759135.db2.gz MRHKIVHGXHWQTE-CABCVRRESA-N 2 1 254.418 2.432 20 30 CEEDMP N#C[C@H]1CC[C@@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)C1 ZINC000442825258 378004648 /nfs/dbraw/zinc/00/46/48/378004648.db2.gz HGNOEKBNYTWKRT-JKSUJKDBSA-N 2 1 291.439 2.303 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCc2c(cccc2OC)C1 ZINC000294914762 378028507 /nfs/dbraw/zinc/02/85/07/378028507.db2.gz GMJFVKDVJWPUQK-INIZCTEOSA-N 2 1 286.419 2.097 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCc2c(cccc2OC)C1 ZINC000294914762 378028515 /nfs/dbraw/zinc/02/85/15/378028515.db2.gz GMJFVKDVJWPUQK-INIZCTEOSA-N 2 1 286.419 2.097 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCc2ccc(OC)cc21 ZINC000294979756 378033262 /nfs/dbraw/zinc/03/32/62/378033262.db2.gz KMTZDHIEIGMXEC-KRWDZBQOSA-N 2 1 272.392 2.227 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCc2ccc(OC)cc21 ZINC000294979756 378033268 /nfs/dbraw/zinc/03/32/68/378033268.db2.gz KMTZDHIEIGMXEC-KRWDZBQOSA-N 2 1 272.392 2.227 20 30 CEEDMP COCC[N@@H+](C)CCC[NH2+]C1CCC(C)(C#N)CC1 ZINC000449077531 378197007 /nfs/dbraw/zinc/19/70/07/378197007.db2.gz JXYRXBHXUFXYCH-UHFFFAOYSA-N 2 1 267.417 2.017 20 30 CEEDMP C[N@H+](Cc1ccc(OCC#N)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000265944622 394656423 /nfs/dbraw/zinc/65/64/23/394656423.db2.gz GJJVPESBQFQXSG-MRXNPFEDSA-N 2 1 287.407 2.363 20 30 CEEDMP C[NH+](Cc1ccc(OCC#N)cc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000265944622 394656425 /nfs/dbraw/zinc/65/64/25/394656425.db2.gz GJJVPESBQFQXSG-MRXNPFEDSA-N 2 1 287.407 2.363 20 30 CEEDMP C[NH+](Cc1ccc(OCC#N)cc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000265944622 394656428 /nfs/dbraw/zinc/65/64/28/394656428.db2.gz GJJVPESBQFQXSG-MRXNPFEDSA-N 2 1 287.407 2.363 20 30 CEEDMP C[NH+]=C(NCc1ccccc1C[N@@H+](C)C(C)C)NC1CC1 ZINC000103337898 394714667 /nfs/dbraw/zinc/71/46/67/394714667.db2.gz REZJPIGOPLXBKS-UHFFFAOYSA-N 2 1 288.439 2.354 20 30 CEEDMP C[C@@H](C[NH2+]Cc1cnc2ccc(C#N)cn12)C[NH+]1CCCC1 ZINC000123364084 394827237 /nfs/dbraw/zinc/82/72/37/394827237.db2.gz QTMOQHBVLKRYLW-AWEZNQCLSA-N 2 1 297.406 2.027 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)[C@H]2CCCO2)CC1 ZINC000346559817 395102314 /nfs/dbraw/zinc/10/23/14/395102314.db2.gz MSISSPJYLSDHHG-DZGCQCFKSA-N 2 1 252.402 2.184 20 30 CEEDMP C=CCCC[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000372353665 395040798 /nfs/dbraw/zinc/04/07/98/395040798.db2.gz HCNGMSXTRWYGON-OWCLPIDISA-N 2 1 266.429 2.432 20 30 CEEDMP C=CC[C@@H]1CC[C@H]([NH2+]CCCN2CCC[N@H+](C)CC2)C1 ZINC000651952925 401422854 /nfs/dbraw/zinc/42/28/54/401422854.db2.gz IETLKLYORKZOFO-SJORKVTESA-N 2 1 279.472 2.348 20 30 CEEDMP C=CCCC[N@@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652347522 401490868 /nfs/dbraw/zinc/49/08/68/401490868.db2.gz CXUSBRPFEYSVTF-RRFJBIMHSA-N 2 1 252.402 2.171 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CO[C@H](CC)C2)CC1 ZINC000657352207 414877303 /nfs/dbraw/zinc/87/73/03/414877303.db2.gz FPBNZEUUHDLPMP-HUUCEWRRSA-N 2 1 252.402 2.184 20 30 CEEDMP C=CC[N@@H+](CCCn1cc[nH+]c1C)[C@H](C)COC ZINC000661242906 415154130 /nfs/dbraw/zinc/15/41/30/415154130.db2.gz VNJXYANYUKMWKX-CYBMUJFWSA-N 2 1 251.374 2.105 20 30 CEEDMP C=CC[N@H+](CCCn1cc[nH+]c1C)[C@H](C)COC ZINC000661242906 415154136 /nfs/dbraw/zinc/15/41/36/415154136.db2.gz VNJXYANYUKMWKX-CYBMUJFWSA-N 2 1 251.374 2.105 20 30 CEEDMP C=CC[N@@H+](CCCn1cc[nH+]c1C)[C@@H](C)COC ZINC000661242908 415154559 /nfs/dbraw/zinc/15/45/59/415154559.db2.gz VNJXYANYUKMWKX-ZDUSSCGKSA-N 2 1 251.374 2.105 20 30 CEEDMP C=CC[N@H+](CCCn1cc[nH+]c1C)[C@@H](C)COC ZINC000661242908 415154562 /nfs/dbraw/zinc/15/45/62/415154562.db2.gz VNJXYANYUKMWKX-ZDUSSCGKSA-N 2 1 251.374 2.105 20 30 CEEDMP C=CCOc1ccccc1C[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000414904976 263112227 /nfs/dbraw/zinc/11/22/27/263112227.db2.gz KUYCVNPXHDWUPI-OAHLLOKOSA-N 2 1 260.381 2.483 20 30 CEEDMP CC#CC[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000306460295 268048907 /nfs/dbraw/zinc/04/89/07/268048907.db2.gz BYAPQQNSEYXBIE-QZTJIDSGSA-N 2 1 268.404 2.464 20 30 CEEDMP CC#CC[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000306460295 268048908 /nfs/dbraw/zinc/04/89/08/268048908.db2.gz BYAPQQNSEYXBIE-QZTJIDSGSA-N 2 1 268.404 2.464 20 30 CEEDMP CC#CC[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000306460295 268048911 /nfs/dbraw/zinc/04/89/11/268048911.db2.gz BYAPQQNSEYXBIE-QZTJIDSGSA-N 2 1 268.404 2.464 20 30 CEEDMP CC#CC[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000306460295 268048913 /nfs/dbraw/zinc/04/89/13/268048913.db2.gz BYAPQQNSEYXBIE-QZTJIDSGSA-N 2 1 268.404 2.464 20 30 CEEDMP Cc1ccc([C@H](CNC(=[NH2+])NC(C)C)[NH+]2CCCC2)o1 ZINC000262026095 329998512 /nfs/dbraw/zinc/99/85/12/329998512.db2.gz ZNGNXKIFMHRUOU-ZDUSSCGKSA-N 2 1 278.400 2.038 20 30 CEEDMP Cc1cc(C)cc(NC(=[NH2+])N[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000262472748 330015536 /nfs/dbraw/zinc/01/55/36/330015536.db2.gz OIJXQYMJQRBJFS-ZDUSSCGKSA-N 2 1 283.379 2.242 20 30 CEEDMP C=CC[NH+]1CCC(N[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000422857287 330157808 /nfs/dbraw/zinc/15/78/08/330157808.db2.gz GQMDDUCSNBXIKS-YESZJQIVSA-N 2 1 277.456 2.147 20 30 CEEDMP C=C[C@H]1CCCCN1CC(O)C[N@H+]1CCCC[C@@H]1C=C ZINC000489499650 332056971 /nfs/dbraw/zinc/05/69/71/332056971.db2.gz SQRPKTNJZIZFIY-HOTGVXAUSA-N 2 1 278.440 2.428 20 30 CEEDMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000742206506 575010682 /nfs/dbraw/zinc/01/06/82/575010682.db2.gz HPUKYVLFXDLNET-BBRMVZONSA-N 2 1 257.381 2.378 20 30 CEEDMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000742206506 575010685 /nfs/dbraw/zinc/01/06/85/575010685.db2.gz HPUKYVLFXDLNET-BBRMVZONSA-N 2 1 257.381 2.378 20 30 CEEDMP C=C(Cl)C[N@H+]1CC[C@H](OCC[NH+](CC)CC)C1 ZINC000747531854 575171962 /nfs/dbraw/zinc/17/19/62/575171962.db2.gz QCPOCFDIAFVEQA-ZDUSSCGKSA-N 2 1 260.809 2.172 20 30 CEEDMP C=C(Cl)C[N@@H+]1CC[C@H](OCC[NH+](CC)CC)C1 ZINC000747531854 575171963 /nfs/dbraw/zinc/17/19/63/575171963.db2.gz QCPOCFDIAFVEQA-ZDUSSCGKSA-N 2 1 260.809 2.172 20 30 CEEDMP C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3c(C)cc(C)nc3C)[C@@H]2C1 ZINC000978499126 613835357 /nfs/dbraw/zinc/83/53/57/613835357.db2.gz GTMKJASIGCUCDD-PHZGNYQRSA-N 2 1 299.418 2.100 20 30 CEEDMP C=CC[N@H+]1CCCC[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001024534961 625605036 /nfs/dbraw/zinc/60/50/36/625605036.db2.gz MPDSRAMBYDWLQL-HNNXBMFYSA-N 2 1 298.390 2.105 20 30 CEEDMP CC(C)C[N@H+]1CCC[C@H](CNC(=[NH2+])N2CCC[C@@H](C)C2)C1 ZINC000157397324 624976084 /nfs/dbraw/zinc/97/60/84/624976084.db2.gz MWBUJTLYBVMZTI-HZPDHXFCSA-N 2 1 294.487 2.401 20 30 CEEDMP C=CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001024812001 625833749 /nfs/dbraw/zinc/83/37/49/625833749.db2.gz ISFNDTQYTMZVBT-JKSUJKDBSA-N 2 1 293.455 2.018 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)Cc1cccc(F)c1 ZINC000328136004 627859441 /nfs/dbraw/zinc/85/94/41/627859441.db2.gz YFQPJKMITGCGQX-AWEZNQCLSA-N 2 1 262.372 2.301 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)Cc1cccc(F)c1 ZINC000328136004 627859444 /nfs/dbraw/zinc/85/94/44/627859444.db2.gz YFQPJKMITGCGQX-AWEZNQCLSA-N 2 1 262.372 2.301 20 30 CEEDMP C=CCn1cc(C[NH2+][C@H](CCC[NH3+])c2ccccc2)nn1 ZINC000925711721 628561739 /nfs/dbraw/zinc/56/17/39/628561739.db2.gz ZVULCAXXFWWMNC-MRXNPFEDSA-N 2 1 285.395 2.034 20 30 CEEDMP Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)cc1C#N ZINC000925841930 628944805 /nfs/dbraw/zinc/94/48/05/628944805.db2.gz VBHBILKKUGFUHH-RCCFBDPRSA-N 2 1 299.418 2.113 20 30 CEEDMP C#CCCCC[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000796324852 629848489 /nfs/dbraw/zinc/84/84/89/629848489.db2.gz RPNTZFVPMGDPLO-UHFFFAOYSA-N 2 1 251.399 2.098 20 30 CEEDMP C[C@@H](C#N)Oc1ccc(C[N@H+](C)CCC[NH+](C)C)cc1 ZINC000809729292 632133779 /nfs/dbraw/zinc/13/37/79/632133779.db2.gz DHLLHDJHGIZTRT-AWEZNQCLSA-N 2 1 275.396 2.361 20 30 CEEDMP C[C@@H](C#N)Oc1ccc(C[N@@H+](C)CCC[NH+](C)C)cc1 ZINC000809729292 632133781 /nfs/dbraw/zinc/13/37/81/632133781.db2.gz DHLLHDJHGIZTRT-AWEZNQCLSA-N 2 1 275.396 2.361 20 30 CEEDMP CCO[C@@H](C[NH2+][C@H](C)c1ccc(C#N)c(F)c1)CN(C)C ZINC000926957357 632384059 /nfs/dbraw/zinc/38/40/59/632384059.db2.gz AIHWPRQQTOGPGQ-DOMZBBRYSA-N 2 1 293.386 2.315 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1C[C@H](OC)C1(CC)CC ZINC000815652477 633044385 /nfs/dbraw/zinc/04/43/85/633044385.db2.gz FBXJPZYTMDKZMZ-GJZGRUSLSA-N 2 1 266.429 2.125 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1C[C@H](OC)C1(CC)CC ZINC000815652477 633044389 /nfs/dbraw/zinc/04/43/89/633044389.db2.gz FBXJPZYTMDKZMZ-GJZGRUSLSA-N 2 1 266.429 2.125 20 30 CEEDMP C#CCOc1ccc([C@@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)cc1 ZINC000817960027 633803275 /nfs/dbraw/zinc/80/32/75/633803275.db2.gz WOVQRCSOCSSVEV-CZUORRHYSA-N 2 1 260.381 2.333 20 30 CEEDMP C[C@H]1C[N@H+](Cc2cc(Cl)cc(C#N)c2)C[C@H]1C[NH3+] ZINC000903476827 635145877 /nfs/dbraw/zinc/14/58/77/635145877.db2.gz LDRNOQZGVNOQNS-GXFFZTMASA-N 2 1 263.772 2.238 20 30 CEEDMP C[C@H]1C[N@@H+](Cc2cc(Cl)cc(C#N)c2)C[C@H]1C[NH3+] ZINC000903476827 635145878 /nfs/dbraw/zinc/14/58/78/635145878.db2.gz LDRNOQZGVNOQNS-GXFFZTMASA-N 2 1 263.772 2.238 20 30 CEEDMP CC(C)(Cc1ccc(C#N)cc1)[NH2+]C[C@H]([NH3+])CC(F)F ZINC000903988648 635406891 /nfs/dbraw/zinc/40/68/91/635406891.db2.gz VZFNJDCOLDQURL-CYBMUJFWSA-N 2 1 281.350 2.451 20 30 CEEDMP C=CC[NH+]1CCC([NH2+]C[C@H]2CC2(Cl)Cl)CC1 ZINC000877009208 650529844 /nfs/dbraw/zinc/52/98/44/650529844.db2.gz ISNKZNQSTBTBRY-SNVBAGLBSA-N 2 1 263.212 2.420 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCC[C@@H](SC)C1 ZINC000922147275 642906133 /nfs/dbraw/zinc/90/61/33/642906133.db2.gz QDJFHNQAWPIPSO-UONOGXRCSA-N 2 1 254.443 2.205 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCC[C@@H](SC)C1 ZINC000922147275 642906137 /nfs/dbraw/zinc/90/61/37/642906137.db2.gz QDJFHNQAWPIPSO-UONOGXRCSA-N 2 1 254.443 2.205 20 30 CEEDMP C=CCC[C@H](O)C[N@H+](CCC[NH3+])Cc1ccccc1 ZINC000923348951 643672700 /nfs/dbraw/zinc/67/27/00/643672700.db2.gz PLYRJPABRJVARN-INIZCTEOSA-N 2 1 262.397 2.165 20 30 CEEDMP C=CCC[C@H](O)C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000923388054 643692411 /nfs/dbraw/zinc/69/24/11/643692411.db2.gz NAWJILFOZRWIGS-CVEARBPZSA-N 2 1 266.429 2.025 20 30 CEEDMP C=CC[NH+]1CC[C@H](Oc2ccnc(C[N@H+](C)CC)c2)C1 ZINC000856592690 644695446 /nfs/dbraw/zinc/69/54/46/644695446.db2.gz VVZRCHKOIBXPHZ-INIZCTEOSA-N 2 1 275.396 2.172 20 30 CEEDMP C=CC[N@H+]1CC[C@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856592690 644695450 /nfs/dbraw/zinc/69/54/50/644695450.db2.gz VVZRCHKOIBXPHZ-INIZCTEOSA-N 2 1 275.396 2.172 20 30 CEEDMP C=CC[N@@H+]1CC[C@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856592690 644695455 /nfs/dbraw/zinc/69/54/55/644695455.db2.gz VVZRCHKOIBXPHZ-INIZCTEOSA-N 2 1 275.396 2.172 20 30 CEEDMP C#CCCC[NH2+][C@@H]1CC[N@H+](CCCOCC)C[C@@H]1C ZINC000766223598 645860267 /nfs/dbraw/zinc/86/02/67/645860267.db2.gz RJVAOXLXKPNVAT-JKSUJKDBSA-N 2 1 266.429 2.126 20 30 CEEDMP N#Cc1ccc2c(c1)C[C@@H]([NH2+]C1CC[NH+](C3CC3)CC1)C2 ZINC000866615352 647842769 /nfs/dbraw/zinc/84/27/69/647842769.db2.gz DCOYZTAHWKFENT-KRWDZBQOSA-N 2 1 281.403 2.242 20 30 CEEDMP C#C[C@H]1CC[C@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000872139791 649289825 /nfs/dbraw/zinc/28/98/25/649289825.db2.gz QBMFGWVAKYAQJT-JFIYKMOQSA-N 2 1 290.451 2.411 20 30 CEEDMP N#Cc1ccc(CC[N@H+]2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)cc1 ZINC000872149774 649297233 /nfs/dbraw/zinc/29/72/33/649297233.db2.gz QGTLRLBOUHFCNH-KGLIPLIRSA-N 2 1 297.324 2.170 20 30 CEEDMP N#Cc1ccc(CC[N@@H+]2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)cc1 ZINC000872149774 649297237 /nfs/dbraw/zinc/29/72/37/649297237.db2.gz QGTLRLBOUHFCNH-KGLIPLIRSA-N 2 1 297.324 2.170 20 30 CEEDMP C[C@H]([NH2+][C@@H]1Cc2ccc(C#N)cc2C1)[C@H]1CCCC[NH2+]1 ZINC000873275835 649621379 /nfs/dbraw/zinc/62/13/79/649621379.db2.gz ONVXFMDPAJNDSP-JCURWCKSSA-N 2 1 269.392 2.146 20 30 CEEDMP C=C(Br)C[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000878864711 651192617 /nfs/dbraw/zinc/19/26/17/651192617.db2.gz LUYTXUCTOCWTJD-UHFFFAOYSA-N 2 1 273.218 2.313 20 30 CEEDMP C=CCC[C@H]([NH2+]C[C@H]1CC[N@H+](CC)C1)[C@@H]1CCCO1 ZINC000883173164 652389123 /nfs/dbraw/zinc/38/91/23/652389123.db2.gz DMAGRUIOSKIPFI-PMPSAXMXSA-N 2 1 266.429 2.432 20 30 CEEDMP C=CCC[C@@H](Cc1ccccc1)[NH2+]C[C@H](O)C[NH+](C)C ZINC000883187489 652393485 /nfs/dbraw/zinc/39/34/85/652393485.db2.gz OVUOMVAXFWBQOG-IRXDYDNUSA-N 2 1 276.424 2.076 20 30 CEEDMP C=CC[C@H](C)[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000883434747 652469119 /nfs/dbraw/zinc/46/91/19/652469119.db2.gz ZUBCMHPTRKEJSO-XQLPTFJDSA-N 2 1 252.402 2.169 20 30 CEEDMP C=CC[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@H+](CCC)C1)C(C)C ZINC001271886659 806127764 /nfs/dbraw/zinc/12/77/64/806127764.db2.gz VBIJCLMMYUNUNZ-HZPDHXFCSA-N 2 1 295.471 2.025 20 30 CEEDMP C=C(C)C[NH+]1CCC[C@@H]([C@H](C)NC(=O)C[N@H+](C)CCC)C1 ZINC001266897266 802976510 /nfs/dbraw/zinc/97/65/10/802976510.db2.gz MBGYJKCENZWYSQ-JKSUJKDBSA-N 2 1 295.471 2.121 20 30 CEEDMP C=C(C)C[N@H+]1CCC[C@@H]([C@H](C)NC(=O)C[NH+](C)CCC)C1 ZINC001266897266 802976513 /nfs/dbraw/zinc/97/65/13/802976513.db2.gz MBGYJKCENZWYSQ-JKSUJKDBSA-N 2 1 295.471 2.121 20 30 CEEDMP C=C(C)C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C[NH+](C)CCC)C1 ZINC001266897266 802976518 /nfs/dbraw/zinc/97/65/18/802976518.db2.gz MBGYJKCENZWYSQ-JKSUJKDBSA-N 2 1 295.471 2.121 20 30 CEEDMP Cc1c(C#N)c(NC(=[NH2+])NCCCC[NH3+])nc2ccccc12 ZINC001167880414 804561018 /nfs/dbraw/zinc/56/10/18/804561018.db2.gz MDMLTWHJJKDBIG-UHFFFAOYSA-N 2 1 296.378 2.090 20 30 CEEDMP C=C(C)CC[N@H+](C)CCN(C)C(=O)CC[C@H]1CCC[NH+]1C ZINC001268238699 804566829 /nfs/dbraw/zinc/56/68/29/804566829.db2.gz KAQZQBODHUDMKY-MRXNPFEDSA-N 2 1 295.471 2.217 20 30 CEEDMP C=C(C)CC[NH+](C)CCN(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001268238699 804566832 /nfs/dbraw/zinc/56/68/32/804566832.db2.gz KAQZQBODHUDMKY-MRXNPFEDSA-N 2 1 295.471 2.217 20 30 CEEDMP C=C(C)CC[NH+](C)CCN(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001268238699 804566835 /nfs/dbraw/zinc/56/68/35/804566835.db2.gz KAQZQBODHUDMKY-MRXNPFEDSA-N 2 1 295.471 2.217 20 30 CEEDMP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001171539300 815187201 /nfs/dbraw/zinc/18/72/01/815187201.db2.gz RUYVMXHVWSUEFH-HOTGVXAUSA-N 2 1 295.471 2.311 20 30 CEEDMP C=CCC[C@@H](C)[NH2+]C1CCN(C(=O)C[N@H+](C)CCC)CC1 ZINC001203456272 808511616 /nfs/dbraw/zinc/51/16/16/808511616.db2.gz UICBQMSIVCYILV-OAHLLOKOSA-N 2 1 295.471 2.264 20 30 CEEDMP CC(C)C[N@@H+](C)CCC[NH2+]C[C@H](O)c1ccc(C#N)cc1 ZINC001120596974 815243328 /nfs/dbraw/zinc/24/33/28/815243328.db2.gz NTZJNVLZOPCLFW-KRWDZBQOSA-N 2 1 289.423 2.159 20 30 CEEDMP Cc1ccc(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)cc1C#N ZINC000700701849 809337008 /nfs/dbraw/zinc/33/70/08/809337008.db2.gz MWIUEZWHWSMDTH-WBVHZDCISA-N 2 1 269.392 2.250 20 30 CEEDMP Cc1ccc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)cc1C#N ZINC000700701849 809337015 /nfs/dbraw/zinc/33/70/15/809337015.db2.gz MWIUEZWHWSMDTH-WBVHZDCISA-N 2 1 269.392 2.250 20 30 CEEDMP Cc1ccc(C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)cc1C#N ZINC000700701849 809337021 /nfs/dbraw/zinc/33/70/21/809337021.db2.gz MWIUEZWHWSMDTH-WBVHZDCISA-N 2 1 269.392 2.250 20 30 CEEDMP C=CC[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001033899488 809446834 /nfs/dbraw/zinc/44/68/34/809446834.db2.gz ZLMZVKHPMKNVBN-INIZCTEOSA-N 2 1 298.390 2.057 20 30 CEEDMP CCCCCCC[C@@H](C)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000702600452 809570500 /nfs/dbraw/zinc/57/05/00/809570500.db2.gz RCPZBHOFZKRFLB-HUUCEWRRSA-N 2 1 256.434 2.392 20 30 CEEDMP CCCCCCC[C@@H](C)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000702600452 809570505 /nfs/dbraw/zinc/57/05/05/809570505.db2.gz RCPZBHOFZKRFLB-HUUCEWRRSA-N 2 1 256.434 2.392 20 30 CEEDMP C=CC[NH2+][C@H]1CC[C@H](NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001034797410 809697012 /nfs/dbraw/zinc/69/70/12/809697012.db2.gz ZUAKAXOSOXPXLU-LDKKBFSKSA-N 2 1 293.455 2.062 20 30 CEEDMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](NC(=[NH2+])c1ccc(Cl)cn1)C2 ZINC001169098626 811370560 /nfs/dbraw/zinc/37/05/60/811370560.db2.gz KBHGQOOXZBSKQK-ZSBIGDGJSA-N 2 1 278.787 2.066 20 30 CEEDMP C=C(C)CC[NH+]1CCC(C)(NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001045385899 811604172 /nfs/dbraw/zinc/60/41/72/811604172.db2.gz AFZGYIHFNJZYTB-HNNXBMFYSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCC[C@H](C)[NH+]1CCN(C(=O)CC[N@H+](C)CCC)CC1 ZINC001113571578 812279779 /nfs/dbraw/zinc/27/97/79/812279779.db2.gz WJMNWFCHQXYZPP-INIZCTEOSA-N 2 1 295.471 2.217 20 30 CEEDMP C=CCC[C@H](C)[NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001157886480 812512911 /nfs/dbraw/zinc/51/29/11/812512911.db2.gz HWSDKCVDWJFFNI-JKSUJKDBSA-N 2 1 295.471 2.310 20 30 CEEDMP C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001130710857 812600495 /nfs/dbraw/zinc/60/04/95/812600495.db2.gz HDXNBLCKYVDDSF-CVEARBPZSA-N 2 1 295.471 2.167 20 30 CEEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)CC[C@H]1C ZINC001132517634 812870950 /nfs/dbraw/zinc/87/09/50/812870950.db2.gz FWVSZCAKHSEIHR-CVEARBPZSA-N 2 1 295.471 2.262 20 30 CEEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)CC[C@H]1C ZINC001132517634 812870958 /nfs/dbraw/zinc/87/09/58/812870958.db2.gz FWVSZCAKHSEIHR-CVEARBPZSA-N 2 1 295.471 2.262 20 30 CEEDMP CCCCCCC[NH2+]CCNC(=O)C[N@H+]1CCC[C@H]1C ZINC001133833807 813162363 /nfs/dbraw/zinc/16/23/63/813162363.db2.gz GRKRGRFOHGSVBS-OAHLLOKOSA-N 2 1 283.460 2.147 20 30 CEEDMP CC1(C#N)CCC([N@H+]2CCC(F)(F)[C@H](C[NH3+])C2)CC1 ZINC001246554847 814027496 /nfs/dbraw/zinc/02/74/96/814027496.db2.gz DYHZJJMTAKEYIP-PNESKVBLSA-N 2 1 271.355 2.375 20 30 CEEDMP C=CCOC1CCC([N@H+](C)CCC[NH+](C)C)CC1 ZINC001173319845 815692947 /nfs/dbraw/zinc/69/29/47/815692947.db2.gz YBCCYQWFSWRICK-UHFFFAOYSA-N 2 1 254.418 2.384 20 30 CEEDMP C=CC[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001175273417 816167380 /nfs/dbraw/zinc/16/73/80/816167380.db2.gz RLBGHYNBOUMWHF-OAHLLOKOSA-N 2 1 295.471 2.169 20 30 CEEDMP CC[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@H](C#N)C3)cc2)CC1 ZINC001140306444 816227579 /nfs/dbraw/zinc/22/75/79/816227579.db2.gz SELILXPGZIABDB-KRWDZBQOSA-N 2 1 298.434 2.174 20 30 CEEDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H](C#N)C3)cc2)CC1 ZINC001140306444 816227585 /nfs/dbraw/zinc/22/75/85/816227585.db2.gz SELILXPGZIABDB-KRWDZBQOSA-N 2 1 298.434 2.174 20 30 CEEDMP C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)[C@H]1C ZINC001179337837 816857540 /nfs/dbraw/zinc/85/75/40/816857540.db2.gz ZENMEANQCIIDBE-JYJNAYRXSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CCC[NH2+]CCCCCCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001179591286 816880886 /nfs/dbraw/zinc/88/08/86/816880886.db2.gz SOZJBIGNCRMVMV-HOTGVXAUSA-N 2 1 295.471 2.026 20 30 CEEDMP C=CC[C@@H](C)[C@@H](C)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000128323344 365783781 /nfs/dbraw/zinc/78/37/81/365783781.db2.gz MYSRWPYMMKCHLM-HZPDHXFCSA-N 2 1 267.461 2.204 20 30 CEEDMP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000602512994 347062688 /nfs/dbraw/zinc/06/26/88/347062688.db2.gz YUEDWBGMWVJYFN-GJZGRUSLSA-N 2 1 291.439 2.159 20 30 CEEDMP Cc1cc(NCCC[N@H+](C)CC(C)C)c(C#N)cn1 ZINC000593480599 345494840 /nfs/dbraw/zinc/49/48/40/345494840.db2.gz SMBBFSNFBPMSEC-UHFFFAOYSA-N 2 1 260.385 2.073 20 30 CEEDMP Cc1cc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)ccc1C#N ZINC000594992749 345722572 /nfs/dbraw/zinc/72/25/72/345722572.db2.gz KBACJGKCCFRUCV-SFHVURJKSA-N 2 1 299.418 2.210 20 30 CEEDMP N#Cc1ccc(CC[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1 ZINC000595896338 345909209 /nfs/dbraw/zinc/90/92/09/345909209.db2.gz KINDBTUBNJENBI-IRXDYDNUSA-N 2 1 269.392 2.162 20 30 CEEDMP C[NH+](C)CCOc1ccc(C[NH2+]CC2(C#N)CC2)cc1 ZINC000619535233 349195341 /nfs/dbraw/zinc/19/53/41/349195341.db2.gz YXQSMPSSPMAKLR-UHFFFAOYSA-N 2 1 273.380 2.020 20 30 CEEDMP C=CCC1([NH2+]C[C@H](O)C[N@@H+](C)C2CC2)CCCCC1 ZINC000625934315 350608868 /nfs/dbraw/zinc/60/88/68/350608868.db2.gz JFDRLEHJLFVGID-HNNXBMFYSA-N 2 1 266.429 2.310 20 30 CEEDMP C=CCC1([NH2+]C[C@H](O)C[N@H+](C)C2CC2)CCCCC1 ZINC000625934315 350608870 /nfs/dbraw/zinc/60/88/70/350608870.db2.gz JFDRLEHJLFVGID-HNNXBMFYSA-N 2 1 266.429 2.310 20 30 CEEDMP C[C@H]1C[C@H]([NH+](C)CCOc2ccccc2C#N)CC[N@@H+]1C ZINC000123121933 187072045 /nfs/dbraw/zinc/07/20/45/187072045.db2.gz VABBTQZFYOIVHX-GOEBONIOSA-N 2 1 287.407 2.352 20 30 CEEDMP C[C@H]1C[C@H]([NH+](C)CCOc2ccccc2C#N)CC[N@H+]1C ZINC000123121933 187072046 /nfs/dbraw/zinc/07/20/46/187072046.db2.gz VABBTQZFYOIVHX-GOEBONIOSA-N 2 1 287.407 2.352 20 30 CEEDMP C[C@H]1C[C@H]([N@H+](C)CCOc2ccccc2C#N)CC[NH+]1C ZINC000123121933 187072047 /nfs/dbraw/zinc/07/20/47/187072047.db2.gz VABBTQZFYOIVHX-GOEBONIOSA-N 2 1 287.407 2.352 20 30 CEEDMP C[C@H]1C[C@H]([N@@H+](C)CCOc2ccccc2C#N)CC[NH+]1C ZINC000123121933 187072048 /nfs/dbraw/zinc/07/20/48/187072048.db2.gz VABBTQZFYOIVHX-GOEBONIOSA-N 2 1 287.407 2.352 20 30 CEEDMP CCC[NH+]1CCC([NH2+]Cc2cnc3ccc(C#N)cn23)CC1 ZINC000123188642 187076238 /nfs/dbraw/zinc/07/62/38/187076238.db2.gz RBLCHVACNWRUGM-UHFFFAOYSA-N 2 1 297.406 2.170 20 30 CEEDMP N#Cc1ccc(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])cc1F ZINC000335024221 283148183 /nfs/dbraw/zinc/14/81/83/283148183.db2.gz AUXIVEOEWMJYLA-CABCVRRESA-N 2 1 261.344 2.447 20 30 CEEDMP C=CCc1cc(C[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)cc(OC)c1O ZINC000578244829 366467513 /nfs/dbraw/zinc/46/75/13/366467513.db2.gz OGCNWGFQDDHBGY-WFASDCNBSA-N 2 1 290.407 2.441 20 30 CEEDMP C=CCc1cc(C[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)cc(OC)c1O ZINC000578244829 366467515 /nfs/dbraw/zinc/46/75/15/366467515.db2.gz OGCNWGFQDDHBGY-WFASDCNBSA-N 2 1 290.407 2.441 20 30 CEEDMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCCSCC#N)C1 ZINC000081516914 363722932 /nfs/dbraw/zinc/72/29/32/363722932.db2.gz NSRMHHPXZAVVJS-AWEZNQCLSA-N 2 1 269.458 2.297 20 30 CEEDMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCCSCC#N)C1 ZINC000081516914 363722935 /nfs/dbraw/zinc/72/29/35/363722935.db2.gz NSRMHHPXZAVVJS-AWEZNQCLSA-N 2 1 269.458 2.297 20 30 CEEDMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCCSCC#N)C1 ZINC000081516914 363722941 /nfs/dbraw/zinc/72/29/41/363722941.db2.gz NSRMHHPXZAVVJS-AWEZNQCLSA-N 2 1 269.458 2.297 20 30 CEEDMP C=C(C)[C@@H](CO)[NH+]1CCC(C[N@H+](C)CCCC)CC1 ZINC000677477622 541018209 /nfs/dbraw/zinc/01/82/09/541018209.db2.gz ONHUZAFUWCSSGA-MRXNPFEDSA-N 2 1 268.445 2.367 20 30 CEEDMP Cc1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)ccc1C#N ZINC000335878080 365104273 /nfs/dbraw/zinc/10/42/73/365104273.db2.gz QDGPSMOOAKASHR-CJNGLKHVSA-N 2 1 257.381 2.439 20 30 CEEDMP C=CCc1cc(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cc(OC)c1O ZINC000346636919 368745683 /nfs/dbraw/zinc/74/56/83/368745683.db2.gz IFOPCEMGQOEHHA-SWLSCSKDSA-N 2 1 290.407 2.298 20 30 CEEDMP COc1cc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)ccc1C#N ZINC000234974619 370552121 /nfs/dbraw/zinc/55/21/21/370552121.db2.gz FBPREGFIHBSKAD-ZDUSSCGKSA-N 2 1 273.380 2.128 20 30 CEEDMP C=CCC[C@@H](O)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247491509 371116305 /nfs/dbraw/zinc/11/63/05/371116305.db2.gz ROJBSGSQYHCMLU-HZPDHXFCSA-N 2 1 266.429 2.264 20 30 CEEDMP N#Cc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000252674907 371466883 /nfs/dbraw/zinc/46/68/83/371466883.db2.gz VNKUNRHRLDLSKF-CVEARBPZSA-N 2 1 255.365 2.275 20 30 CEEDMP N#Cc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000252674907 371466887 /nfs/dbraw/zinc/46/68/87/371466887.db2.gz VNKUNRHRLDLSKF-CVEARBPZSA-N 2 1 255.365 2.275 20 30 CEEDMP C=CCCCCC[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639767821 371554820 /nfs/dbraw/zinc/55/48/20/371554820.db2.gz TXAVJKLASPWCIJ-OAHLLOKOSA-N 2 1 254.418 2.121 20 30 CEEDMP CC[NH+](CC)[C@H](CNC1=[NH+]C[C@H](C)N1)c1ccccc1 ZINC000261848956 371749157 /nfs/dbraw/zinc/74/91/57/371749157.db2.gz WNSREQANVAZOST-DZGCQCFKSA-N 2 1 274.412 2.007 20 30 CEEDMP CCc1cccc(NC(=[NH2+])NC[C@@H]2CCC[N@@H+]2CC)c1 ZINC000264090208 371966989 /nfs/dbraw/zinc/96/69/89/371966989.db2.gz KQDGGIGTNIFJSJ-HNNXBMFYSA-N 2 1 274.412 2.460 20 30 CEEDMP COc1ccc(NC(=[NH2+])NCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000264105572 371971145 /nfs/dbraw/zinc/97/11/45/371971145.db2.gz PKCFVIHUPIUFED-ZDUSSCGKSA-N 2 1 290.411 2.296 20 30 CEEDMP C=C(C)CNC(=[NH2+])NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000264126941 371975642 /nfs/dbraw/zinc/97/56/42/371975642.db2.gz SLWIRNUPASBCDK-ZDUSSCGKSA-N 2 1 292.452 2.365 20 30 CEEDMP C=CC[N@@H+](CCOC)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000361641890 371996042 /nfs/dbraw/zinc/99/60/42/371996042.db2.gz DZNFCHKCTIKJRE-UHFFFAOYSA-N 2 1 286.379 2.210 20 30 CEEDMP C=CC[N@H+](CCOC)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000361641890 371996047 /nfs/dbraw/zinc/99/60/47/371996047.db2.gz DZNFCHKCTIKJRE-UHFFFAOYSA-N 2 1 286.379 2.210 20 30 CEEDMP C=CCCC[C@H](C)n1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC000641234891 372401714 /nfs/dbraw/zinc/40/17/14/372401714.db2.gz WIZFECVYKKKHGC-AWEZNQCLSA-N 2 1 291.443 2.161 20 30 CEEDMP C=CC(C)(C)C[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000644658834 373588681 /nfs/dbraw/zinc/58/86/81/373588681.db2.gz DEFMDRIHJVOOFS-MRXNPFEDSA-N 2 1 276.424 2.281 20 30 CEEDMP C=CC(C)(C)C[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000644658834 373588690 /nfs/dbraw/zinc/58/86/90/373588690.db2.gz DEFMDRIHJVOOFS-MRXNPFEDSA-N 2 1 276.424 2.281 20 30 CEEDMP C[N@H+]1CC[C@@]2(CCN(Cc3cccc(C#N)c3F)C2)C1 ZINC000312681903 376723860 /nfs/dbraw/zinc/72/38/60/376723860.db2.gz LCQMYWNXDAZXAK-MRXNPFEDSA-N 2 1 273.355 2.225 20 30 CEEDMP Cn1cc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1C#N ZINC000290373896 376752161 /nfs/dbraw/zinc/75/21/61/376752161.db2.gz HQYFXNHBIOKZRW-MRXNPFEDSA-N 2 1 286.423 2.060 20 30 CEEDMP COc1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)cc1C#N ZINC000290459794 376790204 /nfs/dbraw/zinc/79/02/04/376790204.db2.gz MYQCRXADGISYKI-NVXWUHKLSA-N 2 1 299.418 2.483 20 30 CEEDMP COc1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)cc1C#N ZINC000290459794 376790210 /nfs/dbraw/zinc/79/02/10/376790210.db2.gz MYQCRXADGISYKI-NVXWUHKLSA-N 2 1 299.418 2.483 20 30 CEEDMP COc1ccc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc1C#N ZINC000290459794 376790214 /nfs/dbraw/zinc/79/02/14/376790214.db2.gz MYQCRXADGISYKI-NVXWUHKLSA-N 2 1 299.418 2.483 20 30 CEEDMP COc1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)cc1C#N ZINC000290459794 376790219 /nfs/dbraw/zinc/79/02/19/376790219.db2.gz MYQCRXADGISYKI-NVXWUHKLSA-N 2 1 299.418 2.483 20 30 CEEDMP C=C(C)C[N@H+](C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 ZINC000328651843 376871909 /nfs/dbraw/zinc/87/19/09/376871909.db2.gz WBPVKIQXVZKOMC-GOEBONIOSA-N 2 1 276.428 2.311 20 30 CEEDMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2(CC#N)CC2)[C@@H](C)C1 ZINC000430744691 377547174 /nfs/dbraw/zinc/54/71/74/377547174.db2.gz VKZJIPGZMSNCOQ-HOTGVXAUSA-N 2 1 293.455 2.407 20 30 CEEDMP CN(CC#CC[N@H+](C)Cc1ccccn1)Cc1ccccn1 ZINC000295240653 378066478 /nfs/dbraw/zinc/06/64/78/378066478.db2.gz XZILXOHXDAGINU-UHFFFAOYSA-N 2 1 294.402 2.044 20 30 CEEDMP CN(CC#CC[N@@H+](C)Cc1ccccn1)Cc1ccccn1 ZINC000295240653 378066485 /nfs/dbraw/zinc/06/64/85/378066485.db2.gz XZILXOHXDAGINU-UHFFFAOYSA-N 2 1 294.402 2.044 20 30 CEEDMP C=CCCCCC[NH+]1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC000487861696 380088553 /nfs/dbraw/zinc/08/85/53/380088553.db2.gz QNOQZQMAJZSUSP-UHFFFAOYSA-N 2 1 295.471 2.219 20 30 CEEDMP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1ccc(C#N)c(F)c1 ZINC000423360830 394900379 /nfs/dbraw/zinc/90/03/79/394900379.db2.gz LQBCRPUSYUAFFS-SMDDNHRTSA-N 2 1 261.344 2.490 20 30 CEEDMP CCC[N@@H+](CCN1CC[NH+](CC)CC1)[C@@H]1CC[C@H](C#N)C1 ZINC000339202063 394950408 /nfs/dbraw/zinc/95/04/08/394950408.db2.gz GQXFZPPSPUSVBI-DLBZAZTESA-N 2 1 292.471 2.028 20 30 CEEDMP C=C(C)C[NH+]1CCC(N[C@H]2C[C@H](C)[N@H+](C)C[C@H]2C)CC1 ZINC000152987681 394999833 /nfs/dbraw/zinc/99/98/33/394999833.db2.gz UJXJPQWECWHXIS-VYDXJSESSA-N 2 1 279.472 2.345 20 30 CEEDMP C=CCOc1cccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000427098780 395091989 /nfs/dbraw/zinc/09/19/89/395091989.db2.gz CMKCBGUAPNBLCD-DOTOQJQBSA-N 2 1 272.392 2.435 20 30 CEEDMP C=CCOc1cccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000427098780 395091992 /nfs/dbraw/zinc/09/19/92/395091992.db2.gz CMKCBGUAPNBLCD-DOTOQJQBSA-N 2 1 272.392 2.435 20 30 CEEDMP C=CCOc1ccc(C[N@H+]2CC[C@@H](C[NH2+]C)C2)cc1OC ZINC000347004678 395116380 /nfs/dbraw/zinc/11/63/80/395116380.db2.gz AMURVMLMLLUQAR-HNNXBMFYSA-N 2 1 290.407 2.301 20 30 CEEDMP C=CCOc1ccc(C[N@@H+]2CC[C@@H](C[NH2+]C)C2)cc1OC ZINC000347004678 395116384 /nfs/dbraw/zinc/11/63/84/395116384.db2.gz AMURVMLMLLUQAR-HNNXBMFYSA-N 2 1 290.407 2.301 20 30 CEEDMP C=CC[C@H]1[NH+](C[C@H](O)C[N@@H+](C)CC)CCCC1(C)C ZINC000567910812 395542066 /nfs/dbraw/zinc/54/20/66/395542066.db2.gz IORRAEIQTAEZJZ-HUUCEWRRSA-N 2 1 268.445 2.366 20 30 CEEDMP C=CC[C@H]1[NH+](C[C@H](O)C[N@H+](C)CC)CCCC1(C)C ZINC000567910812 395542067 /nfs/dbraw/zinc/54/20/67/395542067.db2.gz IORRAEIQTAEZJZ-HUUCEWRRSA-N 2 1 268.445 2.366 20 30 CEEDMP C=CC[C@H]1[N@H+](C[C@H](O)C[NH+](C)CC)CCCC1(C)C ZINC000567910812 395542068 /nfs/dbraw/zinc/54/20/68/395542068.db2.gz IORRAEIQTAEZJZ-HUUCEWRRSA-N 2 1 268.445 2.366 20 30 CEEDMP C=CC[C@H]1[N@@H+](C[C@H](O)C[NH+](C)CC)CCCC1(C)C ZINC000567910812 395542069 /nfs/dbraw/zinc/54/20/69/395542069.db2.gz IORRAEIQTAEZJZ-HUUCEWRRSA-N 2 1 268.445 2.366 20 30 CEEDMP C[C@@H]1C[C@H]([NH2+]CCOc2ccc(C#N)cc2)CC[N@@H+]1C ZINC000181156316 165332164 /nfs/dbraw/zinc/33/21/64/165332164.db2.gz FYJANMAHOSHNEZ-UKRRQHHQSA-N 2 1 273.380 2.009 20 30 CEEDMP C[C@@H]1C[C@H]([NH2+]CCOc2ccc(C#N)cc2)CC[N@H+]1C ZINC000181156316 165332166 /nfs/dbraw/zinc/33/21/66/165332166.db2.gz FYJANMAHOSHNEZ-UKRRQHHQSA-N 2 1 273.380 2.009 20 30 CEEDMP C=C[C@H](CO)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000657793193 415082138 /nfs/dbraw/zinc/08/21/38/415082138.db2.gz GRXXFUGEOHGFCG-IAGOWNOFSA-N 2 1 286.419 2.320 20 30 CEEDMP C=C[C@H](CO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000657793193 415082144 /nfs/dbraw/zinc/08/21/44/415082144.db2.gz GRXXFUGEOHGFCG-IAGOWNOFSA-N 2 1 286.419 2.320 20 30 CEEDMP C=CC(C)(C)C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655771761 415452313 /nfs/dbraw/zinc/45/23/13/415452313.db2.gz DUOGIRDFQMTBAX-HNNXBMFYSA-N 2 1 266.429 2.432 20 30 CEEDMP Cc1cc(N2CCC([NH2+][C@@H]3CC[C@H](C#N)C3)CC2)nc(C)[nH+]1 ZINC000333075962 228189521 /nfs/dbraw/zinc/18/95/21/228189521.db2.gz LCLFNQLFWWRQJK-GOEBONIOSA-N 2 1 299.422 2.344 20 30 CEEDMP C[C@H]1C[C@@H]([N@H+](C)CCCSCC#N)CC[NH+]1C ZINC000174173152 261180796 /nfs/dbraw/zinc/18/07/96/261180796.db2.gz IAXSPNHCUNSXDR-STQMWFEESA-N 2 1 255.431 2.048 20 30 CEEDMP C[C@H]1C[C@@H]([N@@H+](C)CCCSCC#N)CC[NH+]1C ZINC000174173152 261180797 /nfs/dbraw/zinc/18/07/97/261180797.db2.gz IAXSPNHCUNSXDR-STQMWFEESA-N 2 1 255.431 2.048 20 30 CEEDMP C[C@H]1C[C@@H]([NH+](C)CCCSCC#N)CC[N@@H+]1C ZINC000174173152 261180794 /nfs/dbraw/zinc/18/07/94/261180794.db2.gz IAXSPNHCUNSXDR-STQMWFEESA-N 2 1 255.431 2.048 20 30 CEEDMP C[C@H]1C[C@@H]([NH+](C)CCCSCC#N)CC[N@H+]1C ZINC000174173152 261180795 /nfs/dbraw/zinc/18/07/95/261180795.db2.gz IAXSPNHCUNSXDR-STQMWFEESA-N 2 1 255.431 2.048 20 30 CEEDMP C=CCOc1ccccc1C[NH2+][C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414943596 263153197 /nfs/dbraw/zinc/15/31/97/263153197.db2.gz FOXJREHGEYMWEB-DZGCQCFKSA-N 2 1 260.381 2.482 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)[C@H]2CCCOC2)CC1 ZINC000356845133 266187924 /nfs/dbraw/zinc/18/79/24/266187924.db2.gz IGGCJZLGQSIFEA-GJZGRUSLSA-N 2 1 266.429 2.432 20 30 CEEDMP C=CCOc1cccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000357101850 266248660 /nfs/dbraw/zinc/24/86/60/266248660.db2.gz FEDSSVMVZOPTPX-HZPDHXFCSA-N 2 1 272.392 2.293 20 30 CEEDMP C=CCOc1cccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000357101850 266248665 /nfs/dbraw/zinc/24/86/65/266248665.db2.gz FEDSSVMVZOPTPX-HZPDHXFCSA-N 2 1 272.392 2.293 20 30 CEEDMP C[N@@H+](C[C@@H]1CC12CC[NH+](CCCC#N)CC2)C1CC1 ZINC000362617606 267024837 /nfs/dbraw/zinc/02/48/37/267024837.db2.gz RVNNPRALWQGGOT-AWEZNQCLSA-N 2 1 261.413 2.486 20 30 CEEDMP CC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(C#N)cc1 ZINC000447527246 267221722 /nfs/dbraw/zinc/22/17/22/267221722.db2.gz DIVAJKCHZXOOMI-SJORKVTESA-N 2 1 287.407 2.056 20 30 CEEDMP CN(C)C(=[NH+]C[C@H]1CC[N@@H+](C)[C@H]1c1cccs1)N(C)C ZINC000370163359 267295905 /nfs/dbraw/zinc/29/59/05/267295905.db2.gz SJLALFCEHXSQEL-TZMCWYRMSA-N 2 1 294.468 2.220 20 30 CEEDMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CCCCC#N ZINC000370644249 267334194 /nfs/dbraw/zinc/33/41/94/267334194.db2.gz FKGIOUKJYLVZFX-OAGGEKHMSA-N 2 1 279.428 2.159 20 30 CEEDMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCCCC#N ZINC000370644251 267334045 /nfs/dbraw/zinc/33/40/45/267334045.db2.gz FKGIOUKJYLVZFX-PMPSAXMXSA-N 2 1 279.428 2.159 20 30 CEEDMP [NH2+]=C(NC[C@H]1CC[N@H+](C2CC2)C1)Nc1cc(F)ccc1F ZINC000262331782 328149089 /nfs/dbraw/zinc/14/90/89/328149089.db2.gz YFUAFMLGNKRSAI-SNVBAGLBSA-N 2 1 294.349 2.176 20 30 CEEDMP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000580312091 322309956 /nfs/dbraw/zinc/30/99/56/322309956.db2.gz JSPLGDHJQNHVOZ-FUHWJXTLSA-N 2 1 299.418 2.294 20 30 CEEDMP C[N@H+]1CCC[C@H](CNC(=[NH2+])NC2CC2)[C@@H]1c1cccs1 ZINC000262672570 330025826 /nfs/dbraw/zinc/02/58/26/330025826.db2.gz PZELAYAVIWXHBH-BXUZGUMPSA-N 2 1 292.452 2.198 20 30 CEEDMP C[C@@H]1CCCN(C(=[NH2+])NC[C@@H]2CCCC[N@H+]2C2CC2)C1 ZINC000262707860 330028165 /nfs/dbraw/zinc/02/81/65/330028165.db2.gz BYLLFLLCVQFTFI-HIFRSBDPSA-N 2 1 278.444 2.050 20 30 CEEDMP C[C@H]1CCCN(C(=[NH2+])NC[C@H]2CCCC[N@H+]2C2CC2)C1 ZINC000262707857 330028195 /nfs/dbraw/zinc/02/81/95/330028195.db2.gz BYLLFLLCVQFTFI-DZGCQCFKSA-N 2 1 278.444 2.050 20 30 CEEDMP C=C(C)CN(Cc1ccccc1)C[C@@H](O)C[N@H+](C)CC ZINC000580445572 330139408 /nfs/dbraw/zinc/13/94/08/330139408.db2.gz KMFFZFMEHKSPHD-KRWDZBQOSA-N 2 1 276.424 2.377 20 30 CEEDMP C#CC[NH+](C)CCCN[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000491070391 332145885 /nfs/dbraw/zinc/14/58/85/332145885.db2.gz BHZGPHWXMJBGIP-IEBWSBKVSA-N 2 1 299.462 2.367 20 30 CEEDMP C#CC[N@@H+](C)CCCN[C@@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000491070391 332145887 /nfs/dbraw/zinc/14/58/87/332145887.db2.gz BHZGPHWXMJBGIP-IEBWSBKVSA-N 2 1 299.462 2.367 20 30 CEEDMP C#CC[N@H+](C)CCCN[C@@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000491070391 332145889 /nfs/dbraw/zinc/14/58/89/332145889.db2.gz BHZGPHWXMJBGIP-IEBWSBKVSA-N 2 1 299.462 2.367 20 30 CEEDMP CC[N@@H+]1CCC(=[NH+]n2cc(Br)cn2)[C@@H](C)C1 ZINC000752745599 575314256 /nfs/dbraw/zinc/31/42/56/575314256.db2.gz DRSKMIYXGWKUCA-VIFPVBQESA-N 2 1 285.189 2.211 20 30 CEEDMP CC[N@H+]1CCC(=[NH+]n2cc(Br)cn2)[C@@H](C)C1 ZINC000752745599 575314257 /nfs/dbraw/zinc/31/42/57/575314257.db2.gz DRSKMIYXGWKUCA-VIFPVBQESA-N 2 1 285.189 2.211 20 30 CEEDMP C=C(C)C[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC000968780167 613307227 /nfs/dbraw/zinc/30/72/27/613307227.db2.gz AAAQCDWTDLOVLK-JKSUJKDBSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)C[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC000968780167 613307228 /nfs/dbraw/zinc/30/72/28/613307228.db2.gz AAAQCDWTDLOVLK-JKSUJKDBSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)C[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC000968780167 613307229 /nfs/dbraw/zinc/30/72/29/613307229.db2.gz AAAQCDWTDLOVLK-JKSUJKDBSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)C[N@H+]1CCCN(C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000981621472 613312054 /nfs/dbraw/zinc/31/20/54/613312054.db2.gz BVYHHAPQAPFXHO-UHFFFAOYSA-N 2 1 298.390 2.058 20 30 CEEDMP CC[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)N1CC[C@](C)(CC)C1 ZINC000261740472 623440415 /nfs/dbraw/zinc/44/04/15/623440415.db2.gz KPEFKZTVZMSFGZ-HOCLYGCPSA-N 2 1 280.460 2.026 20 30 CEEDMP CCCCCCCC[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000311338517 627642487 /nfs/dbraw/zinc/64/24/87/627642487.db2.gz HDRRKCUWCMMVIS-INIZCTEOSA-N 2 1 267.461 2.326 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+]Cc1cc(Cl)cs1 ZINC000328138214 627858921 /nfs/dbraw/zinc/85/89/21/627858921.db2.gz ZDABNDOCJSFVLJ-UHFFFAOYSA-N 2 1 256.802 2.446 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1cc(Cl)cs1 ZINC000328138214 627858924 /nfs/dbraw/zinc/85/89/24/627858924.db2.gz ZDABNDOCJSFVLJ-UHFFFAOYSA-N 2 1 256.802 2.446 20 30 CEEDMP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ccc(C#N)cc1F ZINC000924980275 629317589 /nfs/dbraw/zinc/31/75/89/629317589.db2.gz PUCYOSNOMVKKBJ-MZBDJJRSSA-N 2 1 273.355 2.127 20 30 CEEDMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ccc(C#N)cc1F ZINC000924980275 629317595 /nfs/dbraw/zinc/31/75/95/629317595.db2.gz PUCYOSNOMVKKBJ-MZBDJJRSSA-N 2 1 273.355 2.127 20 30 CEEDMP CC[C@@H](C)NC(=[NH2+])NCCC[N@@H+](C)C1CCCCC1 ZINC000303258268 629658536 /nfs/dbraw/zinc/65/85/36/629658536.db2.gz KPWZXHGPVGYOPI-CYBMUJFWSA-N 2 1 268.449 2.344 20 30 CEEDMP CC[N@H+]1CC[C@H](CNC(=[NH2+])N[C@H](C)CCCC(C)C)C1 ZINC000303907630 631093767 /nfs/dbraw/zinc/09/37/67/631093767.db2.gz WZSKRSQQYAQVJX-HUUCEWRRSA-N 2 1 282.476 2.447 20 30 CEEDMP C#CC[NH+](C)CCCN[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000815652568 633043760 /nfs/dbraw/zinc/04/37/60/633043760.db2.gz IGMHHWBWDXKQIL-MJGOQNOKSA-N 2 1 299.462 2.052 20 30 CEEDMP C#CC[NH+](C)CCCN[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000815652568 633043765 /nfs/dbraw/zinc/04/37/65/633043765.db2.gz IGMHHWBWDXKQIL-MJGOQNOKSA-N 2 1 299.462 2.052 20 30 CEEDMP C#CC[N@@H+](C)CCCN[C@H]1C[NH+](Cc2ccccc2)C[C@H]1C ZINC000815652568 633043770 /nfs/dbraw/zinc/04/37/70/633043770.db2.gz IGMHHWBWDXKQIL-MJGOQNOKSA-N 2 1 299.462 2.052 20 30 CEEDMP C#CC[N@H+](C)CCCN[C@H]1C[NH+](Cc2ccccc2)C[C@H]1C ZINC000815652568 633043775 /nfs/dbraw/zinc/04/37/75/633043775.db2.gz IGMHHWBWDXKQIL-MJGOQNOKSA-N 2 1 299.462 2.052 20 30 CEEDMP N#Cc1ccc(N2CC[NH+](C[C@H]3CCCC[NH2+]C3)CC2)cc1 ZINC000903779434 635265757 /nfs/dbraw/zinc/26/57/57/635265757.db2.gz ZFVKOORKCMRLSR-KRWDZBQOSA-N 2 1 298.434 2.070 20 30 CEEDMP C[N@@H+](CC[C@H]1CCC[NH2+]C1)Cc1cc(C#N)cs1 ZINC000903825909 635293267 /nfs/dbraw/zinc/29/32/67/635293267.db2.gz DWIUDNSSLFTEBM-GFCCVEGCSA-N 2 1 263.410 2.441 20 30 CEEDMP C=CCCC[N@H+](CC)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903850338 635304368 /nfs/dbraw/zinc/30/43/68/635304368.db2.gz ORIVEUXHJRSZKK-CABCVRRESA-N 2 1 252.402 2.043 20 30 CEEDMP C=CCOc1ccc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)cc1 ZINC000904411402 635619517 /nfs/dbraw/zinc/61/95/17/635619517.db2.gz VBDOCYPYOVVILM-OAHLLOKOSA-N 2 1 260.381 2.422 20 30 CEEDMP C=CCNC(NC[C@@H]1CC[N@H+](C(C)C)C1)=[NH+]C(C)(C)C ZINC000912497329 638719424 /nfs/dbraw/zinc/71/94/24/638719424.db2.gz RAKIMAJRJQFHMV-AWEZNQCLSA-N 2 1 280.460 2.236 20 30 CEEDMP CC[N@@H+](C)Cc1cccc(CNC(=[NH2+])Nc2ccccn2)c1 ZINC000170910140 639684876 /nfs/dbraw/zinc/68/48/76/639684876.db2.gz GWLYHBRLFVMLLF-UHFFFAOYSA-N 2 1 297.406 2.460 20 30 CEEDMP CCCCCCC[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000843346827 640397969 /nfs/dbraw/zinc/39/79/69/640397969.db2.gz OEJZVTLPSWQOIH-MRXNPFEDSA-N 2 1 295.471 2.101 20 30 CEEDMP C=C(C)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC000999306663 642477985 /nfs/dbraw/zinc/47/79/85/642477985.db2.gz LAEUFZAJIXNHJD-JKSUJKDBSA-N 2 1 293.455 2.018 20 30 CEEDMP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C[C@@H](O)c1ccc(C#N)cc1)C2 ZINC000852109338 643311998 /nfs/dbraw/zinc/31/19/98/643311998.db2.gz ZPCOCHGVKXMZAM-QZTJIDSGSA-N 2 1 299.418 2.009 20 30 CEEDMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](C[C@@H](O)c1ccc(C#N)cc1)C2 ZINC000852109338 643312000 /nfs/dbraw/zinc/31/20/00/643312000.db2.gz ZPCOCHGVKXMZAM-QZTJIDSGSA-N 2 1 299.418 2.009 20 30 CEEDMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](C[C@@H](O)c1ccc(C#N)cc1)C2 ZINC000852109338 643312002 /nfs/dbraw/zinc/31/20/02/643312002.db2.gz ZPCOCHGVKXMZAM-QZTJIDSGSA-N 2 1 299.418 2.009 20 30 CEEDMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C[C@@H](O)c1ccc(C#N)cc1)C2 ZINC000852109338 643312009 /nfs/dbraw/zinc/31/20/09/643312009.db2.gz ZPCOCHGVKXMZAM-QZTJIDSGSA-N 2 1 299.418 2.009 20 30 CEEDMP C#CCC[NH+]1CC[C@H](Oc2ccnc(C[N@H+](C)CC)c2)C1 ZINC000856584598 644695879 /nfs/dbraw/zinc/69/58/79/644695879.db2.gz NEUVTTPAJYGNQM-KRWDZBQOSA-N 2 1 287.407 2.010 20 30 CEEDMP C#CCC[N@H+]1CC[C@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856584598 644695883 /nfs/dbraw/zinc/69/58/83/644695883.db2.gz NEUVTTPAJYGNQM-KRWDZBQOSA-N 2 1 287.407 2.010 20 30 CEEDMP C#CCC[N@@H+]1CC[C@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856584598 644695887 /nfs/dbraw/zinc/69/58/87/644695887.db2.gz NEUVTTPAJYGNQM-KRWDZBQOSA-N 2 1 287.407 2.010 20 30 CEEDMP CC[N@@H+](CCO[C@@H](C)C#N)Cc1ccc(C[NH+](C)C)cc1 ZINC000859997977 645672401 /nfs/dbraw/zinc/67/24/01/645672401.db2.gz UOEHARMWOVSCRG-HNNXBMFYSA-N 2 1 289.423 2.499 20 30 CEEDMP CN(C)c1ccc(C#N)cc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000865416838 647284087 /nfs/dbraw/zinc/28/40/87/647284087.db2.gz NZKCRHYWANUBPX-IAGOWNOFSA-N 2 1 298.434 2.341 20 30 CEEDMP CN(C)c1ccc(C#N)cc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000865416838 647284090 /nfs/dbraw/zinc/28/40/90/647284090.db2.gz NZKCRHYWANUBPX-IAGOWNOFSA-N 2 1 298.434 2.341 20 30 CEEDMP C#CCOCC[NH+]1CCC(CC)([NH+]2CCCCC2)CC1 ZINC000880255078 651410693 /nfs/dbraw/zinc/41/06/93/651410693.db2.gz ZJSGCMDEWVSMQR-UHFFFAOYSA-N 2 1 278.440 2.367 20 30 CEEDMP C=CCC[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)[C@@H]1CCCO1 ZINC000883188017 652393618 /nfs/dbraw/zinc/39/36/18/652393618.db2.gz BFBHCIYWWQDQJB-PMPSAXMXSA-N 2 1 266.429 2.432 20 30 CEEDMP C=CCC[C@H]([NH2+][C@@H]1CCc2[nH]cnc2C1)[C@H]1CCCO1 ZINC000883223421 652405196 /nfs/dbraw/zinc/40/51/96/652405196.db2.gz PAFYOTFMNPAUNP-IVMMDQJWSA-N 2 1 275.396 2.370 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@H](CCC=C)[C@@H]1CCCO1 ZINC000883224156 652405539 /nfs/dbraw/zinc/40/55/39/652405539.db2.gz GLUPYRFWECEWTM-CVEARBPZSA-N 2 1 264.413 2.045 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](CCC=C)[C@@H]1CCCO1 ZINC000883224156 652405545 /nfs/dbraw/zinc/40/55/45/652405545.db2.gz GLUPYRFWECEWTM-CVEARBPZSA-N 2 1 264.413 2.045 20 30 CEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H]1C ZINC001088792536 806723486 /nfs/dbraw/zinc/72/34/86/806723486.db2.gz SQQFUSBCNNBROB-CABCVRRESA-N 2 1 293.455 2.016 20 30 CEEDMP C=C(C)CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001266895918 802976067 /nfs/dbraw/zinc/97/60/67/802976067.db2.gz UWVMCGPROSAZTA-HOTGVXAUSA-N 2 1 295.471 2.121 20 30 CEEDMP C[C@@H]1C[C@H]([NH2+]C2CC(C#N)(c3ccccc3)C2)CC[NH2+]1 ZINC001118121850 814986037 /nfs/dbraw/zinc/98/60/37/814986037.db2.gz JUDIWEPYZMUYBY-PMRDFSHISA-N 2 1 269.392 2.340 20 30 CEEDMP C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001028028732 804401715 /nfs/dbraw/zinc/40/17/15/804401715.db2.gz IRMPTKMYKGLYDG-OAHLLOKOSA-N 2 1 298.390 2.105 20 30 CEEDMP C=CCN1CC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC001038904848 804512514 /nfs/dbraw/zinc/51/25/14/804512514.db2.gz XXOHRHHQZSCEBR-HZPDHXFCSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001028334467 804718928 /nfs/dbraw/zinc/71/89/28/804718928.db2.gz AQBZTSVEJNOGOO-JKSUJKDBSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)C[N@H+]1CC[C@@]2(NC(=O)CCC[NH+](C)C)CCC[C@H]12 ZINC001284069850 807055591 /nfs/dbraw/zinc/05/55/91/807055591.db2.gz QUMULXLVBOVOQQ-RDJZCZTQSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)CC[NH+]1CC(NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001030586014 807243015 /nfs/dbraw/zinc/24/30/15/807243015.db2.gz DCOPHHVRVZWAFJ-UHFFFAOYSA-N 2 1 298.390 2.023 20 30 CEEDMP C=C(C)C[NH+]1CC[C@](C)(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001046316306 807545458 /nfs/dbraw/zinc/54/54/58/807545458.db2.gz NUJSRVBHDNPDAK-RDJZCZTQSA-N 2 1 293.455 2.016 20 30 CEEDMP C=C(C)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001046316306 807545462 /nfs/dbraw/zinc/54/54/62/807545462.db2.gz NUJSRVBHDNPDAK-RDJZCZTQSA-N 2 1 293.455 2.016 20 30 CEEDMP C=C(C)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001046316306 807545463 /nfs/dbraw/zinc/54/54/63/807545463.db2.gz NUJSRVBHDNPDAK-RDJZCZTQSA-N 2 1 293.455 2.016 20 30 CEEDMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccc(C#N)o1)C2 ZINC001172113430 815304287 /nfs/dbraw/zinc/30/42/87/815304287.db2.gz HCZQWIROEBYCKL-CLLJXQQHSA-N 2 1 259.353 2.256 20 30 CEEDMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccc(C#N)o1)C2 ZINC001172113430 815304293 /nfs/dbraw/zinc/30/42/93/815304293.db2.gz HCZQWIROEBYCKL-CLLJXQQHSA-N 2 1 259.353 2.256 20 30 CEEDMP COCCC[NH+]1CCC([NH2+]CC#CC(C)(C)C)CC1 ZINC001172247650 815358909 /nfs/dbraw/zinc/35/89/09/815358909.db2.gz OMWKVNFLRLIXAQ-UHFFFAOYSA-N 2 1 266.429 2.126 20 30 CEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001015795934 810357132 /nfs/dbraw/zinc/35/71/32/810357132.db2.gz UBMYCLXTKFHLEQ-HOTGVXAUSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCCC[C@H]([NH3+])C(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC001121909581 815365767 /nfs/dbraw/zinc/36/57/67/815365767.db2.gz VUMGCJCLGWYGLQ-CVEARBPZSA-N 2 1 295.471 2.441 20 30 CEEDMP CCCCCCC[C@H](CC)[NH2+]C[C@@H](C[NH3+])C(=O)OC ZINC001172345744 815399724 /nfs/dbraw/zinc/39/97/24/815399724.db2.gz CDLDCMFVHFIZPU-KGLIPLIRSA-N 2 1 272.433 2.463 20 30 CEEDMP C[C@H]1C[N@@H+](Cc2ccc(C#N)s2)CCC[C@@H]1C[NH3+] ZINC001206012995 811574725 /nfs/dbraw/zinc/57/47/25/811574725.db2.gz OQTSSPLUNOWYFQ-NWDGAFQWSA-N 2 1 263.410 2.427 20 30 CEEDMP C=C(C)CC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001046559032 811774512 /nfs/dbraw/zinc/77/45/12/811774512.db2.gz WYMNUGQKLCBMFP-DOTOQJQBSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)CC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001046559032 811774526 /nfs/dbraw/zinc/77/45/26/811774526.db2.gz WYMNUGQKLCBMFP-DOTOQJQBSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)CC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001046559032 811774532 /nfs/dbraw/zinc/77/45/32/811774532.db2.gz WYMNUGQKLCBMFP-DOTOQJQBSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)CC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001046559032 811774538 /nfs/dbraw/zinc/77/45/38/811774538.db2.gz WYMNUGQKLCBMFP-DOTOQJQBSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCCC[NH+]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001113355589 812225611 /nfs/dbraw/zinc/22/56/11/812225611.db2.gz BXOBPURELKMZIG-UHFFFAOYSA-N 2 1 295.471 2.075 20 30 CEEDMP C=CCC[NH+]1CCC[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001052717739 812451623 /nfs/dbraw/zinc/45/16/23/812451623.db2.gz YOXINVDELUUPTH-HOTGVXAUSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCC[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC001052717739 812451630 /nfs/dbraw/zinc/45/16/30/812451630.db2.gz YOXINVDELUUPTH-HOTGVXAUSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC001052717739 812451634 /nfs/dbraw/zinc/45/16/34/812451634.db2.gz YOXINVDELUUPTH-HOTGVXAUSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001052255162 812958462 /nfs/dbraw/zinc/95/84/62/812958462.db2.gz WRKWKRSAIXIYSY-HZPDHXFCSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001052255162 812958469 /nfs/dbraw/zinc/95/84/69/812958469.db2.gz WRKWKRSAIXIYSY-HZPDHXFCSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001052255162 812958474 /nfs/dbraw/zinc/95/84/74/812958474.db2.gz WRKWKRSAIXIYSY-HZPDHXFCSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CC[N@H+]1CCC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001052531491 813004350 /nfs/dbraw/zinc/00/43/50/813004350.db2.gz KDKIBZWYYQSFLA-HNNXBMFYSA-N 2 1 298.390 2.105 20 30 CEEDMP C=CC[C@@H]([NH2+]C1CCC([NH+](CC)CC)CC1)C(=O)OC ZINC001173102724 815580713 /nfs/dbraw/zinc/58/07/13/815580713.db2.gz BHKKBLHSQLGZHS-YMAMQOFZSA-N 2 1 282.428 2.347 20 30 CEEDMP C=C(C)CC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001135029472 813355546 /nfs/dbraw/zinc/35/55/46/813355546.db2.gz NOHVYKVLGIYHAW-ZIAGYGMSSA-N 2 1 292.427 2.031 20 30 CEEDMP C=C(C)CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001135029471 813355955 /nfs/dbraw/zinc/35/59/55/813355955.db2.gz NOHVYKVLGIYHAW-UONOGXRCSA-N 2 1 292.427 2.031 20 30 CEEDMP C=C(C)CC[N@@H+]1C[C@H](NC(=O)C[NH+]2CCCC2)CC[C@H]1C ZINC001072080913 813540886 /nfs/dbraw/zinc/54/08/86/813540886.db2.gz DIUPFCVSKQRMEW-HZPDHXFCSA-N 2 1 293.455 2.018 20 30 CEEDMP CCCCCCCC[C@H](O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246032514 813665589 /nfs/dbraw/zinc/66/55/89/813665589.db2.gz YIOCKVRRFQYSEE-XHSDSOJGSA-N 2 1 268.445 2.249 20 30 CEEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)[C@H]1C ZINC001074649463 813841551 /nfs/dbraw/zinc/84/15/51/813841551.db2.gz ZJDZLFGTKHLGJF-HRCADAONSA-N 2 1 293.455 2.014 20 30 CEEDMP CCCCCCC[C@@H](CC)[NH2+]C[C@@H]1C[NH2+]CCN1 ZINC001246488522 813864132 /nfs/dbraw/zinc/86/41/32/813864132.db2.gz KJPUKSNAXJVYTN-CABCVRRESA-N 2 1 255.450 2.277 20 30 CEEDMP C=CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001099215624 813994877 /nfs/dbraw/zinc/99/48/77/813994877.db2.gz XKBILDROUIZJTL-OAHLLOKOSA-N 2 1 295.471 2.121 20 30 CEEDMP C=C(C[NH+](C)C)C(=O)N1CCC(C[N@H+](C)CCCC)CC1 ZINC001144302485 814027782 /nfs/dbraw/zinc/02/77/82/814027782.db2.gz LSRPFTONYYTJFI-UHFFFAOYSA-N 2 1 295.471 2.075 20 30 CEEDMP C[C@H](Cc1cccc(C#N)c1)[NH2+]C[C@@H]1CC[N@@H+](C)C1 ZINC001171179850 814060050 /nfs/dbraw/zinc/06/00/50/814060050.db2.gz XRHFXRXCZIKSBK-CJNGLKHVSA-N 2 1 257.381 2.031 20 30 CEEDMP Cc1c[nH+]c(CC[NH3+])n1[C@@H](C)Cc1cccc(C#N)c1 ZINC001171179705 814060133 /nfs/dbraw/zinc/06/01/33/814060133.db2.gz WUKBGOHSEGCMER-LBPRGKRZSA-N 2 1 268.364 2.368 20 30 CEEDMP C=CC[NH2+]CCCC[C@@H](C)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001171316821 814506983 /nfs/dbraw/zinc/50/69/83/814506983.db2.gz BFECVWUDKXOTPM-CVEARBPZSA-N 2 1 295.471 2.311 20 30 CEEDMP N#CCc1ccccc1C[N@@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206198646 815710777 /nfs/dbraw/zinc/71/07/77/815710777.db2.gz NDCQDXHFWQZPJB-HUUCEWRRSA-N 2 1 261.344 2.014 20 30 CEEDMP C[N@H+]1CC[C@@]2(CC[NH+](C3CCC(C)(C#N)CC3)C2)C1 ZINC001173597715 815757061 /nfs/dbraw/zinc/75/70/61/815757061.db2.gz GVUMVJYLDLRKDM-UYSNPLJNSA-N 2 1 261.413 2.486 20 30 CEEDMP C[NH+]1CC[C@@]2(CC[N@@H+](C3CCC(C)(C#N)CC3)C2)C1 ZINC001173597715 815757063 /nfs/dbraw/zinc/75/70/63/815757063.db2.gz GVUMVJYLDLRKDM-UYSNPLJNSA-N 2 1 261.413 2.486 20 30 CEEDMP C=CCC[NH2+]CCCC[C@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001176592106 816438178 /nfs/dbraw/zinc/43/81/78/816438178.db2.gz VUCNOSODLKLRJU-AWEZNQCLSA-N 2 1 292.427 2.032 20 30 CEEDMP C=C(C)CC[NH2+][C@H]1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)[C@H]1C ZINC001179534694 816869854 /nfs/dbraw/zinc/86/98/54/816869854.db2.gz RSJXLRLWLDFTMP-PMPSAXMXSA-N 2 1 293.455 2.016 20 30 CEEDMP C[C@@H](C#N)C[NH+](C)CCCCC[N@H+](C)C[C@@H](C)C#N ZINC000077270093 343913984 /nfs/dbraw/zinc/91/39/84/343913984.db2.gz YHNJCMORBFIHRN-GJZGRUSLSA-N 2 1 264.417 2.340 20 30 CEEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000602516399 347064756 /nfs/dbraw/zinc/06/47/56/347064756.db2.gz KQKQXHRFHQGHHD-OAGGEKHMSA-N 2 1 291.439 2.302 20 30 CEEDMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)CC2(C#N)CCOCC2)C1 ZINC000602522998 347066338 /nfs/dbraw/zinc/06/63/38/347066338.db2.gz YCBDNPNJEMFBJM-HUUCEWRRSA-N 2 1 279.428 2.017 20 30 CEEDMP CC(C)C[NH2+]C1(CO)CC[NH+](CCCC(C)(C)C#N)CC1 ZINC000595512802 345800627 /nfs/dbraw/zinc/80/06/27/345800627.db2.gz YUQOQODXROYPLV-UHFFFAOYSA-N 2 1 295.471 2.389 20 30 CEEDMP N#Cc1ccc(CC[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000595887562 345907015 /nfs/dbraw/zinc/90/70/15/345907015.db2.gz FZCZMSSDOHUEFQ-GVDBMIGSSA-N 2 1 269.392 2.160 20 30 CEEDMP C[NH+](C)CCC[C@H]1C[N@@H+](CCCC(C)(C)C#N)CCO1 ZINC000595905861 345911095 /nfs/dbraw/zinc/91/10/95/345911095.db2.gz HXZXVXKLYYLCFR-HNNXBMFYSA-N 2 1 281.444 2.359 20 30 CEEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C[C@@H](C)CCC#N ZINC000602657967 347127481 /nfs/dbraw/zinc/12/74/81/347127481.db2.gz VSWGJRPUIOOLQF-DLBZAZTESA-N 2 1 294.487 2.274 20 30 CEEDMP N#CCSCCC[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000602847992 347223728 /nfs/dbraw/zinc/22/37/28/347223728.db2.gz XCVDBVFPONWHRX-UHFFFAOYSA-N 2 1 290.436 2.241 20 30 CEEDMP COc1ccc(C#N)cc1C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000602876185 347234885 /nfs/dbraw/zinc/23/48/85/347234885.db2.gz FTTNBXAYSOXYBU-UHFFFAOYSA-N 2 1 299.418 2.485 20 30 CEEDMP N#CCSCCC[N@H+]1CCC[C@H](n2ccnc2)C1 ZINC000610409894 347679483 /nfs/dbraw/zinc/67/94/83/347679483.db2.gz OSGJRAZIPSSGNL-ZDUSSCGKSA-N 2 1 264.398 2.167 20 30 CEEDMP C[C@@H](CCC#N)C[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000618887338 349059799 /nfs/dbraw/zinc/05/97/99/349059799.db2.gz UZSUUHIIVJLZIT-IRXDYDNUSA-N 2 1 292.471 2.028 20 30 CEEDMP CC(C)[NH+]1CCC([NH2+]Cc2cnc3ccc(C#N)cn23)CC1 ZINC000123187942 187076214 /nfs/dbraw/zinc/07/62/14/187076214.db2.gz AMOUPBTUDWSVLR-UHFFFAOYSA-N 2 1 297.406 2.168 20 30 CEEDMP C#CCOc1ccccc1C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000271873938 191382004 /nfs/dbraw/zinc/38/20/04/191382004.db2.gz YOFJCNPIXHXCNM-UHFFFAOYSA-N 2 1 270.376 2.050 20 30 CEEDMP COc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1C#N ZINC000135123191 366398049 /nfs/dbraw/zinc/39/80/49/366398049.db2.gz YMEXGAKWGIJOGF-CZUORRHYSA-N 2 1 287.407 2.481 20 30 CEEDMP COc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1C#N ZINC000135123191 366398052 /nfs/dbraw/zinc/39/80/52/366398052.db2.gz YMEXGAKWGIJOGF-CZUORRHYSA-N 2 1 287.407 2.481 20 30 CEEDMP COc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1C#N ZINC000135123191 366398056 /nfs/dbraw/zinc/39/80/56/366398056.db2.gz YMEXGAKWGIJOGF-CZUORRHYSA-N 2 1 287.407 2.481 20 30 CEEDMP COc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1C#N ZINC000135123191 366398061 /nfs/dbraw/zinc/39/80/61/366398061.db2.gz YMEXGAKWGIJOGF-CZUORRHYSA-N 2 1 287.407 2.481 20 30 CEEDMP C=C(C)[C@H](CO)[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000677478448 541018394 /nfs/dbraw/zinc/01/83/94/541018394.db2.gz YTHSUQJPLDIWCV-SJORKVTESA-N 2 1 280.456 2.367 20 30 CEEDMP C=C(C)[C@H](CO)[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000677478448 541018395 /nfs/dbraw/zinc/01/83/95/541018395.db2.gz YTHSUQJPLDIWCV-SJORKVTESA-N 2 1 280.456 2.367 20 30 CEEDMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000181488255 189297901 /nfs/dbraw/zinc/29/79/01/189297901.db2.gz NICXPOZJZYTREX-AWEZNQCLSA-N 2 1 275.396 2.177 20 30 CEEDMP COc1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc1C#N ZINC000087823660 363870203 /nfs/dbraw/zinc/87/02/03/363870203.db2.gz WGLYGFDHXBOWOR-UHFFFAOYSA-N 2 1 285.391 2.283 20 30 CEEDMP CCC#C[C@H](C)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000679373606 541267279 /nfs/dbraw/zinc/26/72/79/541267279.db2.gz AGADURZREZNRKV-XNHLSEOASA-N 2 1 289.467 2.031 20 30 CEEDMP CCC#C[C@H](C)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000679373606 541267282 /nfs/dbraw/zinc/26/72/82/541267282.db2.gz AGADURZREZNRKV-XNHLSEOASA-N 2 1 289.467 2.031 20 30 CEEDMP CN(C)c1cc[nH+]cc1C[NH2+]CCc1cccc(C#N)c1 ZINC000341487668 367353389 /nfs/dbraw/zinc/35/33/89/367353389.db2.gz PIKFNDWJSDVRKL-UHFFFAOYSA-N 2 1 280.375 2.352 20 30 CEEDMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1cccc(C#N)c1 ZINC000343632767 367929223 /nfs/dbraw/zinc/92/92/23/367929223.db2.gz ZMHYDKLVDJMQPY-CJNGLKHVSA-N 2 1 257.381 2.031 20 30 CEEDMP CCC[N@@H+](CCCCC#N)CCN1CC[NH+](CC)CC1 ZINC000344117264 368108323 /nfs/dbraw/zinc/10/83/23/368108323.db2.gz BORFPJIWOWBXHA-UHFFFAOYSA-N 2 1 280.460 2.030 20 30 CEEDMP C[N@H+]1CCC[C@@H]2C[NH+](CCCSCC#N)CC[C@H]21 ZINC000248159910 371165706 /nfs/dbraw/zinc/16/57/06/371165706.db2.gz RZCUEAOXLLILQV-ZIAGYGMSSA-N 2 1 267.442 2.049 20 30 CEEDMP C[NH+]1CCC[C@@H]2C[N@H+](CCCSCC#N)CC[C@H]21 ZINC000248159910 371165710 /nfs/dbraw/zinc/16/57/10/371165710.db2.gz RZCUEAOXLLILQV-ZIAGYGMSSA-N 2 1 267.442 2.049 20 30 CEEDMP C[NH+]1CCC[C@@H]2C[N@@H+](CCCSCC#N)CC[C@H]21 ZINC000248159910 371165717 /nfs/dbraw/zinc/16/57/17/371165717.db2.gz RZCUEAOXLLILQV-ZIAGYGMSSA-N 2 1 267.442 2.049 20 30 CEEDMP C=CCCC[C@H](C)[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639766381 371555032 /nfs/dbraw/zinc/55/50/32/371555032.db2.gz NSNPSPZBUFWVHS-GJZGRUSLSA-N 2 1 254.418 2.120 20 30 CEEDMP CC(C)CNC(=[NH2+])NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000264088886 371967492 /nfs/dbraw/zinc/96/74/92/371967492.db2.gz KLXKDBWGYPLHMR-ZDUSSCGKSA-N 2 1 294.468 2.445 20 30 CEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(Cl)c1 ZINC000264104193 371970604 /nfs/dbraw/zinc/97/06/04/371970604.db2.gz NHRPMAOVHBWBNF-CQSZACIVSA-N 2 1 294.830 2.229 20 30 CEEDMP CC(C)c1cccc(NC(=[NH2+])NC[C@H]2CC[N@@H+](C)C2)c1 ZINC000264133260 371975725 /nfs/dbraw/zinc/97/57/25/371975725.db2.gz YQYQTQZRGJONNB-CYBMUJFWSA-N 2 1 274.412 2.488 20 30 CEEDMP CCCCNC(=[NH2+])NC[C@@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000264164718 371982199 /nfs/dbraw/zinc/98/21/99/371982199.db2.gz BWLXUVNEWOOBER-AWEZNQCLSA-N 2 1 292.427 2.429 20 30 CEEDMP Cc1ccc([C@@H](CNC(=[NH2+])NCC(C)C)[NH+]2CCCC2)o1 ZINC000264232990 371989006 /nfs/dbraw/zinc/98/90/06/371989006.db2.gz CQLCEMZYNFZDCU-CQSZACIVSA-N 2 1 292.427 2.285 20 30 CEEDMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cccc(C#N)c2)C1 ZINC000269138083 372353895 /nfs/dbraw/zinc/35/38/95/372353895.db2.gz WFBQDZZWXRPEGA-IRXDYDNUSA-N 2 1 269.392 2.474 20 30 CEEDMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2cccc(C#N)c2)C1 ZINC000269138083 372353904 /nfs/dbraw/zinc/35/39/04/372353904.db2.gz WFBQDZZWXRPEGA-IRXDYDNUSA-N 2 1 269.392 2.474 20 30 CEEDMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2cccc(C#N)c2)C1 ZINC000269138083 372353913 /nfs/dbraw/zinc/35/39/13/372353913.db2.gz WFBQDZZWXRPEGA-IRXDYDNUSA-N 2 1 269.392 2.474 20 30 CEEDMP C[NH+]1CCC([NH2+][C@@H]2CCCN(c3ccccc3C#N)C2)CC1 ZINC000362863379 372551118 /nfs/dbraw/zinc/55/11/18/372551118.db2.gz KYIHUGQOVVOLMF-QGZVFWFLSA-N 2 1 298.434 2.211 20 30 CEEDMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C#N)s2)[C@H](C)C1 ZINC000344543289 217226026 /nfs/dbraw/zinc/22/60/26/217226026.db2.gz PUYPXLBCTJJBMO-RISCZKNCSA-N 2 1 263.410 2.440 20 30 CEEDMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C#N)s2)[C@H](C)C1 ZINC000344543289 217226028 /nfs/dbraw/zinc/22/60/28/217226028.db2.gz PUYPXLBCTJJBMO-RISCZKNCSA-N 2 1 263.410 2.440 20 30 CEEDMP COc1cc(CN(C)C[C@H]2CCC[N@@H+](C)C2)ccc1C#N ZINC000282404304 375475956 /nfs/dbraw/zinc/47/59/56/375475956.db2.gz RTVVIWLTHWUHJI-HNNXBMFYSA-N 2 1 287.407 2.340 20 30 CEEDMP COc1cc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)ccc1C#N ZINC000282404304 375475964 /nfs/dbraw/zinc/47/59/64/375475964.db2.gz RTVVIWLTHWUHJI-HNNXBMFYSA-N 2 1 287.407 2.340 20 30 CEEDMP COc1cc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)ccc1C#N ZINC000282404304 375475972 /nfs/dbraw/zinc/47/59/72/375475972.db2.gz RTVVIWLTHWUHJI-HNNXBMFYSA-N 2 1 287.407 2.340 20 30 CEEDMP C=CC[NH+]1CCC(Nc2[nH+]cnc3[nH]ccc32)CC1 ZINC000264502043 190114602 /nfs/dbraw/zinc/11/46/02/190114602.db2.gz YEODBNRETDBYFV-UHFFFAOYSA-N 2 1 257.341 2.020 20 30 CEEDMP COc1ccc(CN(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1C#N ZINC000290586849 376844268 /nfs/dbraw/zinc/84/42/68/376844268.db2.gz UZVZTRBPIDQWFV-XJKSGUPXSA-N 2 1 287.407 2.339 20 30 CEEDMP COc1ccc(CN(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1C#N ZINC000290586849 376844271 /nfs/dbraw/zinc/84/42/71/376844271.db2.gz UZVZTRBPIDQWFV-XJKSGUPXSA-N 2 1 287.407 2.339 20 30 CEEDMP COc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)cc1C#N ZINC000290586849 376844277 /nfs/dbraw/zinc/84/42/77/376844277.db2.gz UZVZTRBPIDQWFV-XJKSGUPXSA-N 2 1 287.407 2.339 20 30 CEEDMP COc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)cc1C#N ZINC000290586849 376844282 /nfs/dbraw/zinc/84/42/82/376844282.db2.gz UZVZTRBPIDQWFV-XJKSGUPXSA-N 2 1 287.407 2.339 20 30 CEEDMP COc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1C#N ZINC000290586849 376844289 /nfs/dbraw/zinc/84/42/89/376844289.db2.gz UZVZTRBPIDQWFV-XJKSGUPXSA-N 2 1 287.407 2.339 20 30 CEEDMP COc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1C#N ZINC000290586849 376844293 /nfs/dbraw/zinc/84/42/93/376844293.db2.gz UZVZTRBPIDQWFV-XJKSGUPXSA-N 2 1 287.407 2.339 20 30 CEEDMP C[N@H+]1CCC[C@]2(CCN(CCOc3ccccc3C#N)C2)C1 ZINC000292834816 377304549 /nfs/dbraw/zinc/30/45/49/377304549.db2.gz ASERGQNTPSKHAF-SFHVURJKSA-N 2 1 299.418 2.355 20 30 CEEDMP C[N@@H+]1CCC[C@]2(CC[NH+](CCOc3ccccc3C#N)C2)C1 ZINC000292834816 377304555 /nfs/dbraw/zinc/30/45/55/377304555.db2.gz ASERGQNTPSKHAF-SFHVURJKSA-N 2 1 299.418 2.355 20 30 CEEDMP C[N@H+]1CCC[C@]2(CC[NH+](CCOc3ccccc3C#N)C2)C1 ZINC000292834816 377304561 /nfs/dbraw/zinc/30/45/61/377304561.db2.gz ASERGQNTPSKHAF-SFHVURJKSA-N 2 1 299.418 2.355 20 30 CEEDMP C=CC[N@H+](C)Cc1ccccc1N1CC[NH+](CC)CC1 ZINC000428385681 377493111 /nfs/dbraw/zinc/49/31/11/377493111.db2.gz QZIPTWYVAIGTRH-UHFFFAOYSA-N 2 1 273.424 2.446 20 30 CEEDMP C=CCOc1ccc(C[NH2+]CCC[NH+]2CCC2)cc1 ZINC000565489706 377666668 /nfs/dbraw/zinc/66/66/68/377666668.db2.gz BDMHCQIXKOLNDR-UHFFFAOYSA-N 2 1 260.381 2.437 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1sc(C)nc1C ZINC000294965882 378033216 /nfs/dbraw/zinc/03/32/16/378033216.db2.gz JPLCSGPFZJFJMI-LLVKDONJSA-N 2 1 265.426 2.366 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1sc(C)nc1C ZINC000294965882 378033221 /nfs/dbraw/zinc/03/32/21/378033221.db2.gz JPLCSGPFZJFJMI-LLVKDONJSA-N 2 1 265.426 2.366 20 30 CEEDMP CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC000329508289 394568880 /nfs/dbraw/zinc/56/88/80/394568880.db2.gz JGNGNYPDUHXSTL-ZIAGYGMSSA-N 2 1 290.411 2.052 20 30 CEEDMP CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC000329508289 394568885 /nfs/dbraw/zinc/56/88/85/394568885.db2.gz JGNGNYPDUHXSTL-ZIAGYGMSSA-N 2 1 290.411 2.052 20 30 CEEDMP CC[NH+]=C(NCCn1cc[nH+]c1C)N1C[C@H](C)C[C@H](C)C1 ZINC000262587808 394620684 /nfs/dbraw/zinc/62/06/84/394620684.db2.gz TUFDLQZUPPZURU-OKILXGFUSA-N 2 1 291.443 2.135 20 30 CEEDMP C=C(C)C[NH+]1CCC(N[C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)CC1 ZINC000152987883 394999515 /nfs/dbraw/zinc/99/95/15/394999515.db2.gz UJXJPQWECWHXIS-HLLBOEOZSA-N 2 1 279.472 2.345 20 30 CEEDMP C#CCOc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000290377273 395101213 /nfs/dbraw/zinc/10/12/13/395101213.db2.gz HWERWMHLWYMXPW-QAPCUYQASA-N 2 1 286.419 2.471 20 30 CEEDMP C#CCOc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000290377273 395101218 /nfs/dbraw/zinc/10/12/18/395101218.db2.gz HWERWMHLWYMXPW-QAPCUYQASA-N 2 1 286.419 2.471 20 30 CEEDMP C#CCOc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)cc1 ZINC000290377273 395101223 /nfs/dbraw/zinc/10/12/23/395101223.db2.gz HWERWMHLWYMXPW-QAPCUYQASA-N 2 1 286.419 2.471 20 30 CEEDMP C#CCOc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)cc1 ZINC000290377273 395101229 /nfs/dbraw/zinc/10/12/29/395101229.db2.gz HWERWMHLWYMXPW-QAPCUYQASA-N 2 1 286.419 2.471 20 30 CEEDMP C[NH+]1CCC2(CCC[N@@H+](CCCSCC#N)C2)CC1 ZINC000374172629 395075930 /nfs/dbraw/zinc/07/59/30/395075930.db2.gz GBWTYZGDTOUORE-UHFFFAOYSA-N 2 1 281.469 2.441 20 30 CEEDMP C=CCOc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)cc1 ZINC000346995591 395115892 /nfs/dbraw/zinc/11/58/92/395115892.db2.gz BNHVDBVMUOHXPY-CJNGLKHVSA-N 2 1 260.381 2.421 20 30 CEEDMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(OCC#N)cc1 ZINC000179149514 395179753 /nfs/dbraw/zinc/17/97/53/395179753.db2.gz WFSXVYZBWBSFMB-CPUCHLNUSA-N 2 1 287.407 2.407 20 30 CEEDMP C=C(CC)C[NH+]1CCC([NH+](CCOC)CCOC)CC1 ZINC000353031562 395285155 /nfs/dbraw/zinc/28/51/55/395285155.db2.gz VPEANNVFRHTDBD-UHFFFAOYSA-N 2 1 284.444 2.012 20 30 CEEDMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(C#N)c(OC)c2)C1 ZINC000440619158 395335666 /nfs/dbraw/zinc/33/56/66/395335666.db2.gz WZMZKAYFJPKLKK-OAHLLOKOSA-N 2 1 287.407 2.388 20 30 CEEDMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(C#N)c(OC)c2)C1 ZINC000440619158 395335669 /nfs/dbraw/zinc/33/56/69/395335669.db2.gz WZMZKAYFJPKLKK-OAHLLOKOSA-N 2 1 287.407 2.388 20 30 CEEDMP C=CC[C@@H]1[NH+](C[C@H](O)C[N@@H+](C)CC)CCCC1(C)C ZINC000567910809 395542083 /nfs/dbraw/zinc/54/20/83/395542083.db2.gz IORRAEIQTAEZJZ-CABCVRRESA-N 2 1 268.445 2.366 20 30 CEEDMP C=CC[C@@H]1[NH+](C[C@H](O)C[N@H+](C)CC)CCCC1(C)C ZINC000567910809 395542084 /nfs/dbraw/zinc/54/20/84/395542084.db2.gz IORRAEIQTAEZJZ-CABCVRRESA-N 2 1 268.445 2.366 20 30 CEEDMP C=CC[C@@H]1[N@H+](C[C@H](O)C[NH+](C)CC)CCCC1(C)C ZINC000567910809 395542085 /nfs/dbraw/zinc/54/20/85/395542085.db2.gz IORRAEIQTAEZJZ-CABCVRRESA-N 2 1 268.445 2.366 20 30 CEEDMP C=CC[C@@H]1[N@@H+](C[C@H](O)C[NH+](C)CC)CCCC1(C)C ZINC000567910809 395542087 /nfs/dbraw/zinc/54/20/87/395542087.db2.gz IORRAEIQTAEZJZ-CABCVRRESA-N 2 1 268.445 2.366 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000647792870 395755541 /nfs/dbraw/zinc/75/55/41/395755541.db2.gz CJPQRPNQOQSYNS-BFYDXBDKSA-N 3 1 277.456 2.005 20 30 CEEDMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC000040621521 174355072 /nfs/dbraw/zinc/35/50/72/174355072.db2.gz PIBAVHXMJLTVKM-MRXNPFEDSA-N 2 1 257.381 2.378 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2COC3(CCC3)C2)CC1 ZINC000657875483 415110372 /nfs/dbraw/zinc/11/03/72/415110372.db2.gz KVGKKPLAVCPPTB-HNNXBMFYSA-N 2 1 264.413 2.328 20 30 CEEDMP C=CC(C)(C)C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655771762 415450997 /nfs/dbraw/zinc/45/09/97/415450997.db2.gz DUOGIRDFQMTBAX-OAHLLOKOSA-N 2 1 266.429 2.432 20 30 CEEDMP C=CC[C@H](CO)[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340356282 263118266 /nfs/dbraw/zinc/11/82/66/263118266.db2.gz YEGNHFWVLRTJGJ-ZACQAIPSSA-N 2 1 274.408 2.349 20 30 CEEDMP C=CC[C@H](CO)[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340356282 263118267 /nfs/dbraw/zinc/11/82/67/263118267.db2.gz YEGNHFWVLRTJGJ-ZACQAIPSSA-N 2 1 274.408 2.349 20 30 CEEDMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CC1(CC#N)CC1 ZINC000366761859 263390365 /nfs/dbraw/zinc/39/03/65/263390365.db2.gz VXQBCXUBQLJULI-PMPSAXMXSA-N 2 1 291.439 2.159 20 30 CEEDMP C=CCOc1cccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000357101848 266248481 /nfs/dbraw/zinc/24/84/81/266248481.db2.gz FEDSSVMVZOPTPX-HOTGVXAUSA-N 2 1 272.392 2.293 20 30 CEEDMP C=CCOc1cccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000357101848 266248484 /nfs/dbraw/zinc/24/84/84/266248484.db2.gz FEDSSVMVZOPTPX-HOTGVXAUSA-N 2 1 272.392 2.293 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCCc2nc(C)sc21 ZINC000295047410 328284368 /nfs/dbraw/zinc/28/43/68/328284368.db2.gz PZILTIJCYOAHCV-CYBMUJFWSA-N 2 1 277.437 2.374 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCCc2nc(C)sc21 ZINC000295047410 328284370 /nfs/dbraw/zinc/28/43/70/328284370.db2.gz PZILTIJCYOAHCV-CYBMUJFWSA-N 2 1 277.437 2.374 20 30 CEEDMP CC[N@H+](C)C[C@H](O)C[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000583448745 327372632 /nfs/dbraw/zinc/37/26/32/327372632.db2.gz NHWFYQNSEIQDOA-IAGOWNOFSA-N 2 1 289.423 2.324 20 30 CEEDMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000583448745 327372634 /nfs/dbraw/zinc/37/26/34/327372634.db2.gz NHWFYQNSEIQDOA-IAGOWNOFSA-N 2 1 289.423 2.324 20 30 CEEDMP C[NH+]=C(NCC[N@H+](C)C1CC1)N1CCC2(C1)CCCCC2 ZINC000262426294 330009805 /nfs/dbraw/zinc/00/98/05/330009805.db2.gz CTGJLUZMBDTODG-UHFFFAOYSA-N 2 1 292.471 2.312 20 30 CEEDMP C[NH+]=C(NCC[N@@H+](C)C1CC1)N1CCC2(C1)CCCCC2 ZINC000262426294 330009806 /nfs/dbraw/zinc/00/98/06/330009806.db2.gz CTGJLUZMBDTODG-UHFFFAOYSA-N 2 1 292.471 2.312 20 30 CEEDMP C[C@H]1CCCN(C(=[NH2+])NC[C@@H]2CCCC[N@H+]2C2CC2)C1 ZINC000262707864 330028339 /nfs/dbraw/zinc/02/83/39/330028339.db2.gz BYLLFLLCVQFTFI-ZFWWWQNUSA-N 2 1 278.444 2.050 20 30 CEEDMP [NH2+]=C(NC[C@@H]1CCCC[N@H+]1C1CC1)NC1CCCCC1 ZINC000262868677 330035818 /nfs/dbraw/zinc/03/58/18/330035818.db2.gz UTYDLTXBYOJZMH-HNNXBMFYSA-N 2 1 278.444 2.240 20 30 CEEDMP C=C(C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)c1ccccc1 ZINC000423022875 330165696 /nfs/dbraw/zinc/16/56/96/330165696.db2.gz GIUFBNHLMBMBAM-RCCFBDPRSA-N 2 1 286.419 2.447 20 30 CEEDMP C=CC[C@H](C)[C@H](C)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423523083 330210008 /nfs/dbraw/zinc/21/00/08/330210008.db2.gz VJTQPDBYSQCAHL-JUVOFCAFSA-N 2 1 279.472 2.393 20 30 CEEDMP C=CCC[C@@H]([NH2+]C1CC[NH+](CCOC)CC1)C1CC1 ZINC000120522370 330389261 /nfs/dbraw/zinc/38/92/61/330389261.db2.gz ZDEULCXLMZJVMW-MRXNPFEDSA-N 2 1 266.429 2.432 20 30 CEEDMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000271794608 334746678 /nfs/dbraw/zinc/74/66/78/334746678.db2.gz ITIXCSGEDYGSNZ-ZDUSSCGKSA-N 2 1 284.363 2.445 20 30 CEEDMP C[NH+]1CCN(N=C2CCCC[C@@H]2[NH+]2CCCCC2)CC1 ZINC000748778561 575195734 /nfs/dbraw/zinc/19/57/34/575195734.db2.gz NXRBHTHFYGYBNM-INIZCTEOSA-N 2 1 278.444 2.018 20 30 CEEDMP C=CC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000963564090 613859435 /nfs/dbraw/zinc/85/94/35/613859435.db2.gz NWFQTTDPZWGFEJ-GPANFISMSA-N 2 1 293.455 2.016 20 30 CEEDMP COCC#CCN1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000677133079 624030968 /nfs/dbraw/zinc/03/09/68/624030968.db2.gz GMDCRZQADSCMST-IAGOWNOFSA-N 2 1 278.440 2.223 20 30 CEEDMP CC(C)C[N@H+]1CCC[C@@H](CNC(=[NH2+])N2CCC[C@@H](C)C2)C1 ZINC000157397087 624975789 /nfs/dbraw/zinc/97/57/89/624975789.db2.gz MWBUJTLYBVMZTI-CVEARBPZSA-N 2 1 294.487 2.401 20 30 CEEDMP CC(C)C[N@H+]1CCC[C@@H](CNC(=[NH2+])N2CCC[C@H](C)C2)C1 ZINC000157397224 624976004 /nfs/dbraw/zinc/97/60/04/624976004.db2.gz MWBUJTLYBVMZTI-HOTGVXAUSA-N 2 1 294.487 2.401 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1C[C@H](OCC)C12CCCC2 ZINC000328138769 627859305 /nfs/dbraw/zinc/85/93/05/627859305.db2.gz ZKXPPJBNBXIYOW-CVEARBPZSA-N 2 1 278.440 2.269 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1C[C@H](OCC)C12CCCC2 ZINC000328138769 627859308 /nfs/dbraw/zinc/85/93/08/627859308.db2.gz ZKXPPJBNBXIYOW-CVEARBPZSA-N 2 1 278.440 2.269 20 30 CEEDMP C=C(C)CN1CCC([NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CC1 ZINC000925608957 628290926 /nfs/dbraw/zinc/29/09/26/628290926.db2.gz MORWGXKLTAAMCO-IKGGRYGDSA-N 2 1 291.483 2.393 20 30 CEEDMP C=C(C)C[NH2+]C1CCC(NC(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001026561184 628358503 /nfs/dbraw/zinc/35/85/03/628358503.db2.gz RSUTZHAMSGEQDA-QQFBHYJXSA-N 2 1 293.455 2.064 20 30 CEEDMP CC(C)CNC(=[NH2+])NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000104178940 628695363 /nfs/dbraw/zinc/69/53/63/628695363.db2.gz RVLRRPPADMVOOS-CYBMUJFWSA-N 2 1 268.449 2.057 20 30 CEEDMP C[C@@H](C#N)Oc1ccc(C[NH2+]CC[C@H](C)[NH+](C)C)cc1 ZINC000895296661 630089348 /nfs/dbraw/zinc/08/93/48/630089348.db2.gz ARYXYQWJYRJXNS-KBPBESRZSA-N 2 1 275.396 2.407 20 30 CEEDMP C#CCOc1ccc([C@H](C)[NH2+]CCC[N@H+](C)CC#C)cc1 ZINC000815652384 633043518 /nfs/dbraw/zinc/04/35/18/633043518.db2.gz ACFTUSSZVCJFGU-INIZCTEOSA-N 2 1 284.403 2.304 20 30 CEEDMP C#CCOc1ccc([C@H](C)[NH2+]CCC[N@@H+](C)CC#C)cc1 ZINC000815652384 633043522 /nfs/dbraw/zinc/04/35/22/633043522.db2.gz ACFTUSSZVCJFGU-INIZCTEOSA-N 2 1 284.403 2.304 20 30 CEEDMP C#CCOc1ccc([C@@H](C)[NH2+]CCC[N@H+](C)CC#C)cc1 ZINC000815652385 633044000 /nfs/dbraw/zinc/04/40/00/633044000.db2.gz ACFTUSSZVCJFGU-MRXNPFEDSA-N 2 1 284.403 2.304 20 30 CEEDMP C#CCOc1ccc([C@@H](C)[NH2+]CCC[N@@H+](C)CC#C)cc1 ZINC000815652385 633044004 /nfs/dbraw/zinc/04/40/04/633044004.db2.gz ACFTUSSZVCJFGU-MRXNPFEDSA-N 2 1 284.403 2.304 20 30 CEEDMP N#Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)nc1 ZINC000817930392 633784832 /nfs/dbraw/zinc/78/48/32/633784832.db2.gz CNHOYFSDUQHWME-YESZJQIVSA-N 2 1 284.407 2.354 20 30 CEEDMP N#CC1CCC(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)CC1 ZINC000903447086 635132761 /nfs/dbraw/zinc/13/27/61/635132761.db2.gz CZNIDVVYGZSKTK-XJCPWDRGSA-N 2 1 261.413 2.376 20 30 CEEDMP Cc1cc(C#N)cc(C)c1C[N@@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000903464657 635137522 /nfs/dbraw/zinc/13/75/22/635137522.db2.gz VIAUBOYGNAPWBK-RDJZCZTQSA-N 2 1 269.392 2.488 20 30 CEEDMP Cc1cc(C#N)cc(C)c1C[N@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000903464657 635137527 /nfs/dbraw/zinc/13/75/27/635137527.db2.gz VIAUBOYGNAPWBK-RDJZCZTQSA-N 2 1 269.392 2.488 20 30 CEEDMP C[C@@H]1C[N@H+](Cc2cc(Cl)cc(C#N)c2)C[C@H]1C[NH3+] ZINC000903476829 635145866 /nfs/dbraw/zinc/14/58/66/635145866.db2.gz LDRNOQZGVNOQNS-ZWNOBZJWSA-N 2 1 263.772 2.238 20 30 CEEDMP C[C@@H]1C[N@@H+](Cc2cc(Cl)cc(C#N)c2)C[C@H]1C[NH3+] ZINC000903476829 635145867 /nfs/dbraw/zinc/14/58/67/635145867.db2.gz LDRNOQZGVNOQNS-ZWNOBZJWSA-N 2 1 263.772 2.238 20 30 CEEDMP C=CC[C@H]1CCC[N@@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903765683 635258368 /nfs/dbraw/zinc/25/83/68/635258368.db2.gz KAEYMSAXTYNTQJ-JKSUJKDBSA-N 2 1 278.440 2.433 20 30 CEEDMP C=CC[C@@H]1CCC[N@@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903767335 635259444 /nfs/dbraw/zinc/25/94/44/635259444.db2.gz VPZWROGKVDTRRW-PMPSAXMXSA-N 2 1 264.413 2.043 20 30 CEEDMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1cc(C#N)cs1 ZINC000903827235 635294465 /nfs/dbraw/zinc/29/44/65/635294465.db2.gz QSXZUGHQIPOKMN-UHFFFAOYSA-N 2 1 263.410 2.441 20 30 CEEDMP C=CCCC[N@@H+](CC)Cc1nc(C(C)(C)[NH3+])no1 ZINC000903850917 635304206 /nfs/dbraw/zinc/30/42/06/635304206.db2.gz ZVNYWPILUHYBMN-UHFFFAOYSA-N 2 1 252.362 2.052 20 30 CEEDMP C=CCCC[N@H+](CC)Cc1nc(C(C)(C)[NH3+])no1 ZINC000903850917 635304209 /nfs/dbraw/zinc/30/42/09/635304209.db2.gz ZVNYWPILUHYBMN-UHFFFAOYSA-N 2 1 252.362 2.052 20 30 CEEDMP C=CC[N@H+](Cc1ccc(OC)cc1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904312627 635560461 /nfs/dbraw/zinc/56/04/61/635560461.db2.gz LSHCCTFEJWRSOX-GASCZTMLSA-N 2 1 260.381 2.421 20 30 CEEDMP C[N@H+](CC[C@@H]1CCC[NH+]1C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844366845 640693757 /nfs/dbraw/zinc/69/37/57/640693757.db2.gz OZYFBPNALSNFJN-DLBZAZTESA-N 2 1 287.407 2.008 20 30 CEEDMP C[N@@H+](CC[C@@H]1CCC[NH+]1C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844366845 640693761 /nfs/dbraw/zinc/69/37/61/640693761.db2.gz OZYFBPNALSNFJN-DLBZAZTESA-N 2 1 287.407 2.008 20 30 CEEDMP C[NH+](CC[C@@H]1CCC[N@@H+]1C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844366845 640693763 /nfs/dbraw/zinc/69/37/63/640693763.db2.gz OZYFBPNALSNFJN-DLBZAZTESA-N 2 1 287.407 2.008 20 30 CEEDMP C[NH+](CC[C@@H]1CCC[N@H+]1C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844366845 640693769 /nfs/dbraw/zinc/69/37/69/640693769.db2.gz OZYFBPNALSNFJN-DLBZAZTESA-N 2 1 287.407 2.008 20 30 CEEDMP C=CCNC(=[NH2+])NCC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000849035946 642247397 /nfs/dbraw/zinc/24/73/97/642247397.db2.gz JAMYVJBIAAOTLX-UHFFFAOYSA-N 2 1 286.423 2.341 20 30 CEEDMP C=CCNC(=[NH2+])NCC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC000849035946 642247402 /nfs/dbraw/zinc/24/74/02/642247402.db2.gz JAMYVJBIAAOTLX-UHFFFAOYSA-N 2 1 286.423 2.341 20 30 CEEDMP C=CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001000375295 642596173 /nfs/dbraw/zinc/59/61/73/642596173.db2.gz CCLLGJZYJRNOKW-JKSUJKDBSA-N 2 1 293.455 2.016 20 30 CEEDMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2csc(C#N)c2)C1 ZINC000922181500 642940338 /nfs/dbraw/zinc/94/03/38/642940338.db2.gz SGRVDBNTVGLDOU-LBPRGKRZSA-N 2 1 263.410 2.441 20 30 CEEDMP C#C[C@](C)(CC)[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000852103445 643308326 /nfs/dbraw/zinc/30/83/26/643308326.db2.gz ICJONFWDBOVMNP-GOSISDBHSA-N 2 1 286.419 2.410 20 30 CEEDMP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C[C@H](O)c1ccc(C#N)cc1)C2 ZINC000852109340 643311694 /nfs/dbraw/zinc/31/16/94/643311694.db2.gz ZPCOCHGVKXMZAM-ZWKOTPCHSA-N 2 1 299.418 2.009 20 30 CEEDMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](C[C@H](O)c1ccc(C#N)cc1)C2 ZINC000852109340 643311700 /nfs/dbraw/zinc/31/17/00/643311700.db2.gz ZPCOCHGVKXMZAM-ZWKOTPCHSA-N 2 1 299.418 2.009 20 30 CEEDMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](C[C@H](O)c1ccc(C#N)cc1)C2 ZINC000852109340 643311705 /nfs/dbraw/zinc/31/17/05/643311705.db2.gz ZPCOCHGVKXMZAM-ZWKOTPCHSA-N 2 1 299.418 2.009 20 30 CEEDMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C[C@H](O)c1ccc(C#N)cc1)C2 ZINC000852109340 643311710 /nfs/dbraw/zinc/31/17/10/643311710.db2.gz ZPCOCHGVKXMZAM-ZWKOTPCHSA-N 2 1 299.418 2.009 20 30 CEEDMP COCC[N@@H+](C[C@H](C)CCC#N)CC1CC[NH+](C)CC1 ZINC000877664265 650839555 /nfs/dbraw/zinc/83/95/55/650839555.db2.gz LQWQXOBRMLATEW-OAHLLOKOSA-N 2 1 281.444 2.216 20 30 CEEDMP N#Cc1ccc(CC[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000852748242 643533226 /nfs/dbraw/zinc/53/32/26/643533226.db2.gz OCIMQJDQPUDDLG-QGZVFWFLSA-N 2 1 269.392 2.176 20 30 CEEDMP C=C(Cl)C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000852753166 643537322 /nfs/dbraw/zinc/53/73/22/643537322.db2.gz AGHKIHBCFXGDQQ-UPJWGTAASA-N 2 1 258.793 2.100 20 30 CEEDMP CC[N@@H+](C[C@H](O)c1ccc(C#N)cc1)[C@H]1CCC[NH2+]CC1 ZINC000923335079 643667342 /nfs/dbraw/zinc/66/73/42/643667342.db2.gz IIHIHEDLTPKBIL-IRXDYDNUSA-N 2 1 287.407 2.056 20 30 CEEDMP C=CCC[C@H](O)C[N@H+](CCC[NH3+])CC1CCCC1 ZINC000923352296 643677123 /nfs/dbraw/zinc/67/71/23/643677123.db2.gz CQWFSBCZVYMPPJ-HNNXBMFYSA-N 2 1 254.418 2.155 20 30 CEEDMP N#Cc1ccc([C@@H](O)C[NH2+][C@H](C[NH3+])C2CCCCC2)cc1 ZINC000923374187 643685401 /nfs/dbraw/zinc/68/54/01/643685401.db2.gz RZAGKMATVYHNAU-SJORKVTESA-N 2 1 287.407 2.089 20 30 CEEDMP N#Cc1ccc([C@H](O)C[N@H+]2CCCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000923428248 643707326 /nfs/dbraw/zinc/70/73/26/643707326.db2.gz NZOQXPRJXQKEMN-QZTJIDSGSA-N 2 1 299.418 2.057 20 30 CEEDMP C#CCOc1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000113316834 644333818 /nfs/dbraw/zinc/33/38/18/644333818.db2.gz SHGGXEKARXSVHU-UHFFFAOYSA-N 2 1 284.403 2.415 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](COC)[C@H]2CCCOC2)CC1 ZINC000883187361 652393541 /nfs/dbraw/zinc/39/35/41/652393541.db2.gz MHVUCRGPRHXNSX-RDJZCZTQSA-N 2 1 296.455 2.058 20 30 CEEDMP C=CCC[C@@H](Cc1ccccc1)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000883217014 652403052 /nfs/dbraw/zinc/40/30/52/652403052.db2.gz ZTEWMUHSVOAQSN-ZWKOTPCHSA-N 2 1 288.435 2.220 20 30 CEEDMP C=CCC[C@@H](Cc1ccccc1)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000883217014 652403053 /nfs/dbraw/zinc/40/30/53/652403053.db2.gz ZTEWMUHSVOAQSN-ZWKOTPCHSA-N 2 1 288.435 2.220 20 30 CEEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@H]1CC ZINC001087829745 805808008 /nfs/dbraw/zinc/80/80/08/805808008.db2.gz TXPHACUUPOEQPY-JKSUJKDBSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@H]1CC ZINC001087829745 805808018 /nfs/dbraw/zinc/80/80/18/805808018.db2.gz TXPHACUUPOEQPY-JKSUJKDBSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001271540116 805988230 /nfs/dbraw/zinc/98/82/30/805988230.db2.gz PHUDCOYJNJDQNJ-HOTGVXAUSA-N 2 1 295.471 2.121 20 30 CEEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)[C@H]1C ZINC001088605440 806505658 /nfs/dbraw/zinc/50/56/58/806505658.db2.gz SRYOZCCPEMWAPS-PMPSAXMXSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2CCC)[C@H]1C ZINC001088605440 806505670 /nfs/dbraw/zinc/50/56/70/806505670.db2.gz SRYOZCCPEMWAPS-PMPSAXMXSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2CCC)[C@H]1C ZINC001088605440 806505674 /nfs/dbraw/zinc/50/56/74/806505674.db2.gz SRYOZCCPEMWAPS-PMPSAXMXSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CC[N@@H+]1CC[C@@](C)(NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001046433634 811755164 /nfs/dbraw/zinc/75/51/64/811755164.db2.gz XGVIWSOXSKWUGK-QGZVFWFLSA-N 2 1 298.390 2.023 20 30 CEEDMP C=CCC[C@H](C)[NH+]1CC(NC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001267671747 803651088 /nfs/dbraw/zinc/65/10/88/803651088.db2.gz IXWUDTOOGUFLNH-HOCLYGCPSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CCC[C@H](C)[NH+]1CC(NC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001267671747 803651090 /nfs/dbraw/zinc/65/10/90/803651090.db2.gz IXWUDTOOGUFLNH-HOCLYGCPSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CC[N@H+](C)[C@@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001027492375 804090585 /nfs/dbraw/zinc/09/05/85/804090585.db2.gz NHCLCKQASJFQJB-MRXNPFEDSA-N 2 1 298.390 2.057 20 30 CEEDMP C=C(C)C[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001027879042 804314147 /nfs/dbraw/zinc/31/41/47/804314147.db2.gz LYHPPOVXBKFGMW-JKSUJKDBSA-N 2 1 293.455 2.016 20 30 CEEDMP C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001027879042 804314156 /nfs/dbraw/zinc/31/41/56/804314156.db2.gz LYHPPOVXBKFGMW-JKSUJKDBSA-N 2 1 293.455 2.016 20 30 CEEDMP C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001027879042 804314165 /nfs/dbraw/zinc/31/41/65/804314165.db2.gz LYHPPOVXBKFGMW-JKSUJKDBSA-N 2 1 293.455 2.016 20 30 CEEDMP C=C(C)C[NH2+]CC[C@@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001269799208 805255188 /nfs/dbraw/zinc/25/51/88/805255188.db2.gz SKNUVHCVEHIAOU-INIZCTEOSA-N 2 1 295.471 2.121 20 30 CEEDMP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)C(C)C)C2 ZINC001110159203 815141246 /nfs/dbraw/zinc/14/12/46/815141246.db2.gz DLYUDLWIIRRZTN-PMPSAXMXSA-N 2 1 293.455 2.014 20 30 CEEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)C(C)C)C2 ZINC001110159203 815141248 /nfs/dbraw/zinc/14/12/48/815141248.db2.gz DLYUDLWIIRRZTN-PMPSAXMXSA-N 2 1 293.455 2.014 20 30 CEEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)C(C)C)C2 ZINC001110159203 815141251 /nfs/dbraw/zinc/14/12/51/815141251.db2.gz DLYUDLWIIRRZTN-PMPSAXMXSA-N 2 1 293.455 2.014 20 30 CEEDMP CC[C@H](C)[C@H]([NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1)C(=O)NO ZINC001171628855 815200302 /nfs/dbraw/zinc/20/03/02/815200302.db2.gz JKHWGICHUYNEDL-AAEUAGOBSA-N 2 1 299.459 2.148 20 30 CEEDMP C=CC[NH2+][C@@H]1CCCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC000999354523 808793603 /nfs/dbraw/zinc/79/36/03/808793603.db2.gz QHQKRQWOBXXLHX-HZPDHXFCSA-N 2 1 293.455 2.016 20 30 CEEDMP N#Cc1ccc2[nH]cc(C[N@@H+]3CC[C@@H]([NH3+])[C@@H](F)CC3)c2c1 ZINC001206173260 815490082 /nfs/dbraw/zinc/49/00/82/815490082.db2.gz GFFOYILNELDCQO-LSDHHAIUSA-N 2 1 286.354 2.301 20 30 CEEDMP C=CCCCCC[NH2+]CCCNC(=O)CC[N@H+](C)CC ZINC001170221973 812336783 /nfs/dbraw/zinc/33/67/83/812336783.db2.gz GOJPRUMNRYAQNV-UHFFFAOYSA-N 2 1 283.460 2.171 20 30 CEEDMP CCCCCCC[NH2+]CCCNC(=O)CC[N@@H+](C)CC ZINC001170221532 812341862 /nfs/dbraw/zinc/34/18/62/812341862.db2.gz CUKNLPWOXHJHQM-UHFFFAOYSA-N 2 1 285.476 2.395 20 30 CEEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[C@@H]1C ZINC001132106958 812788038 /nfs/dbraw/zinc/78/80/38/812788038.db2.gz WPXFYBSZIQVUJF-GJZGRUSLSA-N 2 1 293.455 2.016 20 30 CEEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[C@@H]1C ZINC001132106358 812788093 /nfs/dbraw/zinc/78/80/93/812788093.db2.gz TYRNYIFSRLZAJV-GJZGRUSLSA-N 2 1 293.455 2.016 20 30 CEEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)CC[C@@H]1C ZINC001132153681 812792012 /nfs/dbraw/zinc/79/20/12/812792012.db2.gz SVUYAUXKAWQHQL-GJZGRUSLSA-N 2 1 295.471 2.262 20 30 CEEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)CC[C@@H]1C ZINC001132153681 812792016 /nfs/dbraw/zinc/79/20/16/812792016.db2.gz SVUYAUXKAWQHQL-GJZGRUSLSA-N 2 1 295.471 2.262 20 30 CEEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)CC[C@@H]1C ZINC001132153681 812792021 /nfs/dbraw/zinc/79/20/21/812792021.db2.gz SVUYAUXKAWQHQL-GJZGRUSLSA-N 2 1 295.471 2.262 20 30 CEEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)CC[C@@H]1C ZINC001132377739 812838607 /nfs/dbraw/zinc/83/86/07/812838607.db2.gz ZUVWHLDLQZMZQD-HOTGVXAUSA-N 2 1 295.471 2.264 20 30 CEEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CC)CC[C@@H]1C ZINC001132410658 812843806 /nfs/dbraw/zinc/84/38/06/812843806.db2.gz MSPIGGKATYGJLL-HOTGVXAUSA-N 2 1 295.471 2.264 20 30 CEEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)CC[C@@H]1C ZINC001132410658 812843811 /nfs/dbraw/zinc/84/38/11/812843811.db2.gz MSPIGGKATYGJLL-HOTGVXAUSA-N 2 1 295.471 2.264 20 30 CEEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)CC[C@@H]1C ZINC001132410658 812843819 /nfs/dbraw/zinc/84/38/19/812843819.db2.gz MSPIGGKATYGJLL-HOTGVXAUSA-N 2 1 295.471 2.264 20 30 CEEDMP C=CC[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)CC[C@H]1C ZINC001132508031 812874166 /nfs/dbraw/zinc/87/41/66/812874166.db2.gz BPKFLUHAGVGVPY-CVEARBPZSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CC[N@H+]1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001052562202 813005560 /nfs/dbraw/zinc/00/55/60/813005560.db2.gz MHZUXURPFFTREK-HNNXBMFYSA-N 2 1 298.390 2.105 20 30 CEEDMP C=CC[C@H]([NH2+]C1CCC([NH+](CC)CC)CC1)C(=O)OC ZINC001173102722 815580822 /nfs/dbraw/zinc/58/08/22/815580822.db2.gz BHKKBLHSQLGZHS-NRXISQOPSA-N 2 1 282.428 2.347 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(Cl)cc1 ZINC000392850103 813308616 /nfs/dbraw/zinc/30/86/16/813308616.db2.gz HZDQIOMQLJNVFS-UHFFFAOYSA-N 2 1 250.773 2.385 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(Cl)cc1 ZINC000392850103 813308620 /nfs/dbraw/zinc/30/86/20/813308620.db2.gz HZDQIOMQLJNVFS-UHFFFAOYSA-N 2 1 250.773 2.385 20 30 CEEDMP C=C(C)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001135467787 813441838 /nfs/dbraw/zinc/44/18/38/813441838.db2.gz JTPRFTAXFBGNOY-LSDHHAIUSA-N 2 1 295.471 2.167 20 30 CEEDMP C=CCC[NH2+][C@H](C)C[C@H](C)NC(=O)CC[N@H+](C)CCC ZINC001135995458 813582270 /nfs/dbraw/zinc/58/22/70/813582270.db2.gz FXOJEXNUTWXYDN-CABCVRRESA-N 2 1 283.460 2.167 20 30 CEEDMP CCCCCCCC[C@H](O)C[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC001246032139 813665527 /nfs/dbraw/zinc/66/55/27/813665527.db2.gz RRMAINBUNUOARW-QLFBSQMISA-N 2 1 256.434 2.377 20 30 CEEDMP CCCCCCCC[C@H](O)C[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC001246032139 813665532 /nfs/dbraw/zinc/66/55/32/813665532.db2.gz RRMAINBUNUOARW-QLFBSQMISA-N 2 1 256.434 2.377 20 30 CEEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H](C)CCCC ZINC001246305152 813768636 /nfs/dbraw/zinc/76/86/36/813768636.db2.gz GXECPIAICRCOGM-KBPBESRZSA-N 2 1 270.417 2.382 20 30 CEEDMP CCC[N@@H+]1CC[C@H](C[NH2+]CC#Cc2ccccc2)C1 ZINC000693009990 814614824 /nfs/dbraw/zinc/61/48/24/814614824.db2.gz IVHJIAIOMDWZHE-QGZVFWFLSA-N 2 1 256.393 2.360 20 30 CEEDMP CCC[N@H+]1CC[C@H](C[NH2+]CC#Cc2ccccc2)C1 ZINC000693009990 814614827 /nfs/dbraw/zinc/61/48/27/814614827.db2.gz IVHJIAIOMDWZHE-QGZVFWFLSA-N 2 1 256.393 2.360 20 30 CEEDMP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](C1CCC(CC#N)CC1)C2 ZINC001173336995 815681294 /nfs/dbraw/zinc/68/12/94/815681294.db2.gz UZLKFIMPCYUXAT-GYTBAZASSA-N 2 1 261.413 2.342 20 30 CEEDMP CCN1CCO[C@@H]2C[N@H+](C3CCC(C)(C#N)CC3)C[C@@H]2C1 ZINC001173594339 815755182 /nfs/dbraw/zinc/75/51/82/815755182.db2.gz ADZAHDUKKLZTSG-ORBLRFAASA-N 2 1 291.439 2.111 20 30 CEEDMP CC[N@@H+]1CCO[C@@H]2C[NH+](C3CCC(C)(C#N)CC3)C[C@@H]2C1 ZINC001173594339 815755185 /nfs/dbraw/zinc/75/51/85/815755185.db2.gz ADZAHDUKKLZTSG-ORBLRFAASA-N 2 1 291.439 2.111 20 30 CEEDMP CC[N@H+]1CCO[C@@H]2C[NH+](C3CCC(C)(C#N)CC3)C[C@@H]2C1 ZINC001173594339 815755188 /nfs/dbraw/zinc/75/51/88/815755188.db2.gz ADZAHDUKKLZTSG-ORBLRFAASA-N 2 1 291.439 2.111 20 30 CEEDMP CC[NH+]1CCO[C@@H]2C[N@@H+](C3CCC(C)(C#N)CC3)C[C@@H]2C1 ZINC001173594339 815755193 /nfs/dbraw/zinc/75/51/93/815755193.db2.gz ADZAHDUKKLZTSG-ORBLRFAASA-N 2 1 291.439 2.111 20 30 CEEDMP CC[NH+]1CCO[C@@H]2C[N@H+](C3CCC(C)(C#N)CC3)C[C@@H]2C1 ZINC001173594339 815755198 /nfs/dbraw/zinc/75/51/98/815755198.db2.gz ADZAHDUKKLZTSG-ORBLRFAASA-N 2 1 291.439 2.111 20 30 CEEDMP CC1(C#N)CCC([N@@H+](C2COC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001173591443 815755531 /nfs/dbraw/zinc/75/55/31/815755531.db2.gz JYWYFBMPPHLVMA-GZRJIHOHSA-N 2 1 291.439 2.430 20 30 CEEDMP CCc1cc(C#N)ccc1C[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206210389 815778313 /nfs/dbraw/zinc/77/83/13/815778313.db2.gz KGWHQCRPJWGZFA-CVEARBPZSA-N 2 1 275.371 2.382 20 30 CEEDMP CCc1cc(C#N)ccc1C[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206210391 815779167 /nfs/dbraw/zinc/77/91/67/815779167.db2.gz KGWHQCRPJWGZFA-HOTGVXAUSA-N 2 1 275.371 2.382 20 30 CEEDMP C[N@H+]1CCc2c(C#N)c(Nc3cc[nH+]cc3)sc2C1 ZINC001173879495 815847389 /nfs/dbraw/zinc/84/73/89/815847389.db2.gz RATMLFFLBRDVEI-UHFFFAOYSA-N 2 1 270.361 2.168 20 30 CEEDMP C=CC[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001175272095 816166319 /nfs/dbraw/zinc/16/63/19/816166319.db2.gz HJBVWENGJPJKNP-HNNXBMFYSA-N 2 1 297.487 2.415 20 30 CEEDMP CC#CC[NH2+]CCCCCCNC(=O)C(C)(C)[N@H+](C)CC ZINC001178853698 816804248 /nfs/dbraw/zinc/80/42/48/816804248.db2.gz OOHFCPHXALUATN-UHFFFAOYSA-N 2 1 295.471 2.006 20 30 CEEDMP N#Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1 ZINC000311725148 344735927 /nfs/dbraw/zinc/73/59/27/344735927.db2.gz PYJTTYOTDQGNPZ-HOTGVXAUSA-N 2 1 255.365 2.119 20 30 CEEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1ccc(C#N)cc1F ZINC000596364838 346008134 /nfs/dbraw/zinc/00/81/34/346008134.db2.gz UCLSEXVTFSIAPO-ZDUSSCGKSA-N 2 1 292.402 2.381 20 30 CEEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1ccc(C#N)cc1F ZINC000596364838 346008136 /nfs/dbraw/zinc/00/81/36/346008136.db2.gz UCLSEXVTFSIAPO-ZDUSSCGKSA-N 2 1 292.402 2.381 20 30 CEEDMP C[NH+](C)CCOc1ccc(C[N@@H+]2CC[C@](C)(C#N)C2)cc1 ZINC000597230208 346156238 /nfs/dbraw/zinc/15/62/38/346156238.db2.gz QUUMKDLLNAVOMJ-QGZVFWFLSA-N 2 1 287.407 2.363 20 30 CEEDMP C[NH+](C)CCOc1ccc(C[N@H+]2CC[C@](C)(C#N)C2)cc1 ZINC000597230208 346156240 /nfs/dbraw/zinc/15/62/40/346156240.db2.gz QUUMKDLLNAVOMJ-QGZVFWFLSA-N 2 1 287.407 2.363 20 30 CEEDMP CC(C)[NH+]1CCC([N@@H+](C)C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598590720 346378756 /nfs/dbraw/zinc/37/87/56/346378756.db2.gz SRBOGABDWANJPV-OAHLLOKOSA-N 2 1 281.444 2.092 20 30 CEEDMP C[N@H+]1CCC[C@H]2C[NH+](CCOc3ccc(C#N)cc3)CC[C@@H]21 ZINC000129106911 365825141 /nfs/dbraw/zinc/82/51/41/365825141.db2.gz MGINDZPGMXYCSG-WMZOPIPTSA-N 2 1 299.418 2.353 20 30 CEEDMP C[NH+]1CCC[C@H]2C[N@H+](CCOc3ccc(C#N)cc3)CC[C@@H]21 ZINC000129106911 365825149 /nfs/dbraw/zinc/82/51/49/365825149.db2.gz MGINDZPGMXYCSG-WMZOPIPTSA-N 2 1 299.418 2.353 20 30 CEEDMP C[NH+]1CCC[C@H]2C[N@@H+](CCOc3ccc(C#N)cc3)CC[C@@H]21 ZINC000129106911 365825157 /nfs/dbraw/zinc/82/51/57/365825157.db2.gz MGINDZPGMXYCSG-WMZOPIPTSA-N 2 1 299.418 2.353 20 30 CEEDMP COc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1C#N ZINC000129114926 365827434 /nfs/dbraw/zinc/82/74/34/365827434.db2.gz DNENRBQCOGDBPM-WBVHZDCISA-N 2 1 299.418 2.483 20 30 CEEDMP COc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1C#N ZINC000129114926 365827440 /nfs/dbraw/zinc/82/74/40/365827440.db2.gz DNENRBQCOGDBPM-WBVHZDCISA-N 2 1 299.418 2.483 20 30 CEEDMP COc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1C#N ZINC000129114926 365827449 /nfs/dbraw/zinc/82/74/49/365827449.db2.gz DNENRBQCOGDBPM-WBVHZDCISA-N 2 1 299.418 2.483 20 30 CEEDMP COc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1C#N ZINC000129114926 365827456 /nfs/dbraw/zinc/82/74/56/365827456.db2.gz DNENRBQCOGDBPM-WBVHZDCISA-N 2 1 299.418 2.483 20 30 CEEDMP Cc1ccc(C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1C#N ZINC000600712548 346675697 /nfs/dbraw/zinc/67/56/97/346675697.db2.gz YCUNXPXGSRRXGQ-QGZVFWFLSA-N 2 1 299.418 2.054 20 30 CEEDMP C[C@@H]1CC[C@@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C[NH2+]1 ZINC000600710529 346675933 /nfs/dbraw/zinc/67/59/33/346675933.db2.gz ODKBTJQAEGFTAJ-RHSMWYFYSA-N 2 1 298.434 2.257 20 30 CEEDMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600718363 346677049 /nfs/dbraw/zinc/67/70/49/346677049.db2.gz WWQBHTLFFWPUGS-HOTGVXAUSA-N 2 1 293.455 2.285 20 30 CEEDMP C[C@@H](CCC#N)C[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000602657896 347127714 /nfs/dbraw/zinc/12/77/14/347127714.db2.gz TZPUHUYHRVYZCC-DOTOQJQBSA-N 2 1 292.471 2.027 20 30 CEEDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CC2(CC#N)CC2)C1 ZINC000602786942 347198392 /nfs/dbraw/zinc/19/83/92/347198392.db2.gz ZZKCHJJHKPWMIX-OAHLLOKOSA-N 2 1 279.428 2.113 20 30 CEEDMP C[C@H]1C[C@@H]([NH+](C)CCOc2cccc(C#N)c2)CC[N@@H+]1C ZINC000123417253 187090869 /nfs/dbraw/zinc/09/08/69/187090869.db2.gz CNVSSZBWFWJHOW-HOCLYGCPSA-N 2 1 287.407 2.352 20 30 CEEDMP C[C@H]1C[C@@H]([NH+](C)CCOc2cccc(C#N)c2)CC[N@H+]1C ZINC000123417253 187090870 /nfs/dbraw/zinc/09/08/70/187090870.db2.gz CNVSSZBWFWJHOW-HOCLYGCPSA-N 2 1 287.407 2.352 20 30 CEEDMP C[C@H]1C[C@@H]([N@H+](C)CCOc2cccc(C#N)c2)CC[NH+]1C ZINC000123417253 187090871 /nfs/dbraw/zinc/09/08/71/187090871.db2.gz CNVSSZBWFWJHOW-HOCLYGCPSA-N 2 1 287.407 2.352 20 30 CEEDMP C[C@H]1C[C@@H]([N@@H+](C)CCOc2cccc(C#N)c2)CC[NH+]1C ZINC000123417253 187090872 /nfs/dbraw/zinc/09/08/72/187090872.db2.gz CNVSSZBWFWJHOW-HOCLYGCPSA-N 2 1 287.407 2.352 20 30 CEEDMP C[N@H+]1CC[C@]2(CC[NH+](CCCOc3cccc(C#N)c3)C2)C1 ZINC000292111761 198167011 /nfs/dbraw/zinc/16/70/11/198167011.db2.gz JAQVRESGGALYGP-SFHVURJKSA-N 2 1 299.418 2.355 20 30 CEEDMP C[NH+]1CC[C@]2(CC[N@H+](CCCOc3cccc(C#N)c3)C2)C1 ZINC000292111761 198167013 /nfs/dbraw/zinc/16/70/13/198167013.db2.gz JAQVRESGGALYGP-SFHVURJKSA-N 2 1 299.418 2.355 20 30 CEEDMP C[NH+]1CC[C@]2(CC[N@@H+](CCCOc3cccc(C#N)c3)C2)C1 ZINC000292111761 198167015 /nfs/dbraw/zinc/16/70/15/198167015.db2.gz JAQVRESGGALYGP-SFHVURJKSA-N 2 1 299.418 2.355 20 30 CEEDMP N#Cc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)s1 ZINC000135680849 366466217 /nfs/dbraw/zinc/46/62/17/366466217.db2.gz YTZSJSGDWFHBRR-NWDGAFQWSA-N 2 1 261.394 2.336 20 30 CEEDMP N#Cc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)s1 ZINC000135680849 366466220 /nfs/dbraw/zinc/46/62/20/366466220.db2.gz YTZSJSGDWFHBRR-NWDGAFQWSA-N 2 1 261.394 2.336 20 30 CEEDMP C=CCc1cc(C[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)cc(OC)c1O ZINC000578244827 366467585 /nfs/dbraw/zinc/46/75/85/366467585.db2.gz OGCNWGFQDDHBGY-IUODEOHRSA-N 2 1 290.407 2.441 20 30 CEEDMP C=CCc1cc(C[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)cc(OC)c1O ZINC000578244827 366467587 /nfs/dbraw/zinc/46/75/87/366467587.db2.gz OGCNWGFQDDHBGY-IUODEOHRSA-N 2 1 290.407 2.441 20 30 CEEDMP C=CCNC(=O)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183142335 189347833 /nfs/dbraw/zinc/34/78/33/189347833.db2.gz KZGKWKBHQMDPRR-ZDUSSCGKSA-N 2 1 298.390 2.134 20 30 CEEDMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cc(C#N)cs2)C1 ZINC000093492568 364192502 /nfs/dbraw/zinc/19/25/02/364192502.db2.gz NHJMSHAJPASSDX-GFCCVEGCSA-N 2 1 263.410 2.440 20 30 CEEDMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cc(C#N)cs2)C1 ZINC000093492568 364192507 /nfs/dbraw/zinc/19/25/07/364192507.db2.gz NHJMSHAJPASSDX-GFCCVEGCSA-N 2 1 263.410 2.440 20 30 CEEDMP N#Cc1cccc(C2([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)c1 ZINC000335069776 364430367 /nfs/dbraw/zinc/43/03/67/364430367.db2.gz ROPCNYQTRWZKBV-XYPWUTKMSA-N 2 1 267.376 2.420 20 30 CEEDMP C[NH+](C)CCC1CC[NH+](C[C@H](C#N)CCC#N)CC1 ZINC000112559881 364816766 /nfs/dbraw/zinc/81/67/66/364816766.db2.gz UKMWITZCCXEWFN-HNNXBMFYSA-N 2 1 262.401 2.094 20 30 CEEDMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=[NH2+])N(C)C)cc2)C1 ZINC000170911310 367447356 /nfs/dbraw/zinc/44/73/56/367447356.db2.gz GMRWNDIXDSPVEW-AWEZNQCLSA-N 2 1 288.439 2.295 20 30 CEEDMP C=CCOc1ccccc1C[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000346688652 368771556 /nfs/dbraw/zinc/77/15/56/368771556.db2.gz YFIIJQDQHVOXLG-UONOGXRCSA-N 2 1 260.381 2.421 20 30 CEEDMP C=CCOCCC[NH+]1CC[C@H](C[N@H+](C)CCC)C1 ZINC000348053835 368876924 /nfs/dbraw/zinc/87/69/24/368876924.db2.gz WSXLPFBVJGCZBL-OAHLLOKOSA-N 2 1 254.418 2.243 20 30 CEEDMP C=CCOCCC[N@H+]1CC[C@H](C[NH+](C)CCC)C1 ZINC000348053835 368876929 /nfs/dbraw/zinc/87/69/29/368876929.db2.gz WSXLPFBVJGCZBL-OAHLLOKOSA-N 2 1 254.418 2.243 20 30 CEEDMP C=CCOCCC[N@@H+]1CC[C@H](C[NH+](C)CCC)C1 ZINC000348053835 368876936 /nfs/dbraw/zinc/87/69/36/368876936.db2.gz WSXLPFBVJGCZBL-OAHLLOKOSA-N 2 1 254.418 2.243 20 30 CEEDMP CCN(CC)C(=[NH2+])NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000195291396 370122305 /nfs/dbraw/zinc/12/23/05/370122305.db2.gz YUMPZNROAGTSQO-MRXNPFEDSA-N 2 1 288.439 2.165 20 30 CEEDMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(C#N)n(C)c2)C[C@@H]1C ZINC000361562115 371924630 /nfs/dbraw/zinc/92/46/30/371924630.db2.gz AKVIHGDDTODDGE-ZFWWWQNUSA-N 2 1 274.412 2.201 20 30 CEEDMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(C#N)n(C)c2)C[C@@H]1C ZINC000361562115 371924637 /nfs/dbraw/zinc/92/46/37/371924637.db2.gz AKVIHGDDTODDGE-ZFWWWQNUSA-N 2 1 274.412 2.201 20 30 CEEDMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(C#N)n(C)c2)C[C@@H]1C ZINC000361562115 371924646 /nfs/dbraw/zinc/92/46/46/371924646.db2.gz AKVIHGDDTODDGE-ZFWWWQNUSA-N 2 1 274.412 2.201 20 30 CEEDMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(C#N)n(C)c2)C[C@@H]1C ZINC000361562115 371924651 /nfs/dbraw/zinc/92/46/51/371924651.db2.gz AKVIHGDDTODDGE-ZFWWWQNUSA-N 2 1 274.412 2.201 20 30 CEEDMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cccc(C#N)c2)C1 ZINC000269138084 372354328 /nfs/dbraw/zinc/35/43/28/372354328.db2.gz WFBQDZZWXRPEGA-SJORKVTESA-N 2 1 269.392 2.474 20 30 CEEDMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2cccc(C#N)c2)C1 ZINC000269138084 372354334 /nfs/dbraw/zinc/35/43/34/372354334.db2.gz WFBQDZZWXRPEGA-SJORKVTESA-N 2 1 269.392 2.474 20 30 CEEDMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2cccc(C#N)c2)C1 ZINC000269138084 372354341 /nfs/dbraw/zinc/35/43/41/372354341.db2.gz WFBQDZZWXRPEGA-SJORKVTESA-N 2 1 269.392 2.474 20 30 CEEDMP C=CC[C@H](C)[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000368426148 373240392 /nfs/dbraw/zinc/24/03/92/373240392.db2.gz UTRIDXWEQHGVMX-YHUYYLMFSA-N 2 1 266.429 2.430 20 30 CEEDMP C=CC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000368426148 373240401 /nfs/dbraw/zinc/24/04/01/373240401.db2.gz UTRIDXWEQHGVMX-YHUYYLMFSA-N 2 1 266.429 2.430 20 30 CEEDMP C=CC[NH+]1CCC([NH2+]C[C@H](O)[C@H](C)c2ccccc2)CC1 ZINC000644549090 373524543 /nfs/dbraw/zinc/52/45/43/373524543.db2.gz POUHJEOGXDIQMP-QAPCUYQASA-N 2 1 288.435 2.391 20 30 CEEDMP C=CCCC[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000644635132 373573826 /nfs/dbraw/zinc/57/38/26/373573826.db2.gz ROUOBCWOTCVRNV-MRXNPFEDSA-N 2 1 262.397 2.035 20 30 CEEDMP C=CCCC[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000644635132 373573831 /nfs/dbraw/zinc/57/38/31/373573831.db2.gz ROUOBCWOTCVRNV-MRXNPFEDSA-N 2 1 262.397 2.035 20 30 CEEDMP COc1ccc(CN(C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc1C#N ZINC000290586835 376843956 /nfs/dbraw/zinc/84/39/56/376843956.db2.gz UZVZTRBPIDQWFV-BBRMVZONSA-N 2 1 287.407 2.339 20 30 CEEDMP COc1ccc(CN(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1C#N ZINC000290586835 376843959 /nfs/dbraw/zinc/84/39/59/376843959.db2.gz UZVZTRBPIDQWFV-BBRMVZONSA-N 2 1 287.407 2.339 20 30 CEEDMP COc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)cc1C#N ZINC000290586835 376843961 /nfs/dbraw/zinc/84/39/61/376843961.db2.gz UZVZTRBPIDQWFV-BBRMVZONSA-N 2 1 287.407 2.339 20 30 CEEDMP COc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)cc1C#N ZINC000290586835 376843963 /nfs/dbraw/zinc/84/39/63/376843963.db2.gz UZVZTRBPIDQWFV-BBRMVZONSA-N 2 1 287.407 2.339 20 30 CEEDMP COc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc1C#N ZINC000290586835 376843966 /nfs/dbraw/zinc/84/39/66/376843966.db2.gz UZVZTRBPIDQWFV-BBRMVZONSA-N 2 1 287.407 2.339 20 30 CEEDMP COc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1C#N ZINC000290586835 376843967 /nfs/dbraw/zinc/84/39/67/376843967.db2.gz UZVZTRBPIDQWFV-BBRMVZONSA-N 2 1 287.407 2.339 20 30 CEEDMP C[N@H+]1CC[C@]2(CCN(Cc3ccc(C#N)s3)C2)C1 ZINC000292835695 377304400 /nfs/dbraw/zinc/30/44/00/377304400.db2.gz RRPNJCHFTHPBHY-AWEZNQCLSA-N 2 1 261.394 2.147 20 30 CEEDMP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CC[N@H+](CC)C[C@H]1C ZINC000436299351 377822926 /nfs/dbraw/zinc/82/29/26/377822926.db2.gz JRLXFUOKHMUWQM-WCVJEAGWSA-N 2 1 266.429 2.288 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000295075283 378040265 /nfs/dbraw/zinc/04/02/65/378040265.db2.gz SLBUYMJNQSLGNK-INIZCTEOSA-N 2 1 272.392 2.314 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000295075283 378040267 /nfs/dbraw/zinc/04/02/67/378040267.db2.gz SLBUYMJNQSLGNK-INIZCTEOSA-N 2 1 272.392 2.314 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc2c(c1)COC2 ZINC000295106750 378041765 /nfs/dbraw/zinc/04/17/65/378041765.db2.gz WVDHWXRDTGIVHM-CQSZACIVSA-N 2 1 272.392 2.323 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccc2c(c1)COC2 ZINC000295106750 378041771 /nfs/dbraw/zinc/04/17/71/378041771.db2.gz WVDHWXRDTGIVHM-CQSZACIVSA-N 2 1 272.392 2.323 20 30 CEEDMP CC1(C#N)CCC([NH2+]CCCC[N@H+]2CCC[C@H]2CO)CC1 ZINC000449148310 378197463 /nfs/dbraw/zinc/19/74/63/378197463.db2.gz JVGUCTYMJJRNCI-CGZBRXJRSA-N 2 1 293.455 2.285 20 30 CEEDMP C=C[C@H](CO)[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449330308 378203123 /nfs/dbraw/zinc/20/31/23/378203123.db2.gz SSMBCNMJMHDDFY-NVXWUHKLSA-N 2 1 288.435 2.219 20 30 CEEDMP CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC000329508285 394568705 /nfs/dbraw/zinc/56/87/05/394568705.db2.gz JGNGNYPDUHXSTL-KGLIPLIRSA-N 2 1 290.411 2.052 20 30 CEEDMP CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC000329508285 394568711 /nfs/dbraw/zinc/56/87/11/394568711.db2.gz JGNGNYPDUHXSTL-KGLIPLIRSA-N 2 1 290.411 2.052 20 30 CEEDMP CC(C)(C)NC(=[NH2+])NCCC[N@H+]1CCc2ccccc2C1 ZINC000104168666 394718424 /nfs/dbraw/zinc/71/84/24/394718424.db2.gz USBYBDNBMLPAFT-UHFFFAOYSA-N 2 1 288.439 2.138 20 30 CEEDMP CC[N@H+]1CC[C@H](CNC(=[NH2+])Nc2ccc3c(c2)CCC3)C1 ZINC000104172409 394718475 /nfs/dbraw/zinc/71/84/75/394718475.db2.gz SIHDSFQFIAEONN-CYBMUJFWSA-N 2 1 286.423 2.244 20 30 CEEDMP CCNC(NC[C@@H]1CC[N@@H+](C)[C@H]1c1cccs1)=[NH+]CC ZINC000361944857 394839090 /nfs/dbraw/zinc/83/90/90/394839090.db2.gz RCOSJWPAYYLKRC-GXTWGEPZSA-N 2 1 294.468 2.316 20 30 CEEDMP C[C@@H]([NH2+]CCOCCC#N)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000339086198 394942080 /nfs/dbraw/zinc/94/20/80/394942080.db2.gz ZPOKLZJOTUIPIC-HUUCEWRRSA-N 2 1 279.428 2.159 20 30 CEEDMP C#CCC[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000372375548 395040722 /nfs/dbraw/zinc/04/07/22/395040722.db2.gz VYJOCWCRMZMIEX-IYBDPMFKSA-N 2 1 278.440 2.221 20 30 CEEDMP C=CCOCCC[NH+](C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000348061201 395134318 /nfs/dbraw/zinc/13/43/18/395134318.db2.gz YCHHPDOQYPJZKO-LSDHHAIUSA-N 2 1 254.418 2.241 20 30 CEEDMP C=CCOCCC[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000348061201 395134321 /nfs/dbraw/zinc/13/43/21/395134321.db2.gz YCHHPDOQYPJZKO-LSDHHAIUSA-N 2 1 254.418 2.241 20 30 CEEDMP C=CCOCCC[N@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000348061201 395134328 /nfs/dbraw/zinc/13/43/28/395134328.db2.gz YCHHPDOQYPJZKO-LSDHHAIUSA-N 2 1 254.418 2.241 20 30 CEEDMP COc1cc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)ccc1C#N ZINC000459799696 395666763 /nfs/dbraw/zinc/66/67/63/395666763.db2.gz YWIHCZSBDBRDRS-CQSZACIVSA-N 2 1 287.407 2.388 20 30 CEEDMP CC(C)[N@@H+](C)CCCNCc1cc(C#N)cs1 ZINC000224158774 153321858 /nfs/dbraw/zinc/32/18/58/153321858.db2.gz XAJNYYSQRBYIID-UHFFFAOYSA-N 2 1 251.399 2.440 20 30 CEEDMP CC(C)[N@H+](C)CCC[NH2+]Cc1cc(C#N)cs1 ZINC000224158774 153321863 /nfs/dbraw/zinc/32/18/63/153321863.db2.gz XAJNYYSQRBYIID-UHFFFAOYSA-N 2 1 251.399 2.440 20 30 CEEDMP CC(C)[N@@H+](C)CCC[NH2+]Cc1cc(C#N)cs1 ZINC000224158774 153321867 /nfs/dbraw/zinc/32/18/67/153321867.db2.gz XAJNYYSQRBYIID-UHFFFAOYSA-N 2 1 251.399 2.440 20 30 CEEDMP C[N@H+]1CC[C@H]([NH2+]CCOc2ccc(C#N)cc2)[C@@H]2CCC[C@@H]21 ZINC000367598302 156213366 /nfs/dbraw/zinc/21/33/66/156213366.db2.gz DPENOAXGEZZTSN-BZSNNMDCSA-N 2 1 299.418 2.399 20 30 CEEDMP C=CCCCCC[N@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662253988 415719911 /nfs/dbraw/zinc/71/99/11/415719911.db2.gz DFAKAAXHQQGXTG-CQSZACIVSA-N 2 1 252.402 2.186 20 30 CEEDMP C#Cc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc1 ZINC000368024415 260308287 /nfs/dbraw/zinc/30/82/87/260308287.db2.gz UIBIHNLGCGJBOV-GBESFXJTSA-N 2 1 298.430 2.351 20 30 CEEDMP C=CCOc1ccc(C[NH2+][C@H]2CC[NH2+][C@H](C)C2)cc1OC ZINC000414939827 263147425 /nfs/dbraw/zinc/14/74/25/263147425.db2.gz BDNNRLZPVMVSSA-HIFRSBDPSA-N 2 1 290.407 2.490 20 30 CEEDMP C=CCOc1ccccc1C[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC000414943598 263153200 /nfs/dbraw/zinc/15/32/00/263153200.db2.gz FOXJREHGEYMWEB-HIFRSBDPSA-N 2 1 260.381 2.482 20 30 CEEDMP C#CCCC[NH2+]Cc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000378651331 329058357 /nfs/dbraw/zinc/05/83/57/329058357.db2.gz RSBAUDBDACPFLM-UHFFFAOYSA-N 2 1 277.437 2.413 20 30 CEEDMP C#CCCC[NH2+]Cc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000378651331 329058358 /nfs/dbraw/zinc/05/83/58/329058358.db2.gz RSBAUDBDACPFLM-UHFFFAOYSA-N 2 1 277.437 2.413 20 30 CEEDMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=[NH2+])N(C)C)C1 ZINC000264149466 328157800 /nfs/dbraw/zinc/15/78/00/328157800.db2.gz YTHZPPGGTQFHJV-CQSZACIVSA-N 2 1 288.439 2.295 20 30 CEEDMP C[N@H+]1CCC[C@@H](CNC(=[NH2+])NC2CC2)[C@@H]1c1cccs1 ZINC000262672573 330025949 /nfs/dbraw/zinc/02/59/49/330025949.db2.gz PZELAYAVIWXHBH-SMDDNHRTSA-N 2 1 292.452 2.198 20 30 CEEDMP C[C@@H]1CCCN(C(=[NH2+])NC[C@H]2CCCC[N@H+]2C2CC2)C1 ZINC000262707862 330028207 /nfs/dbraw/zinc/02/82/07/330028207.db2.gz BYLLFLLCVQFTFI-UKRRQHHQSA-N 2 1 278.444 2.050 20 30 CEEDMP [NH2+]=C(NC[C@H]1CCCC[N@H+]1C1CC1)N1CCCCCC1 ZINC000262790733 330031567 /nfs/dbraw/zinc/03/15/67/330031567.db2.gz MZHNZDARJDFBMT-OAHLLOKOSA-N 2 1 278.444 2.194 20 30 CEEDMP C=CC[NH+]1CCC(N[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000422857286 330157630 /nfs/dbraw/zinc/15/76/30/330157630.db2.gz GQMDDUCSNBXIKS-IXDOHACOSA-N 2 1 277.456 2.147 20 30 CEEDMP C=CCC[C@@H]([NH2+]CC1([NH+](C)C)CCOCC1)C1CC1 ZINC000121173557 330397027 /nfs/dbraw/zinc/39/70/27/330397027.db2.gz OTYOYBLRHVPTDL-OAHLLOKOSA-N 2 1 266.429 2.432 20 30 CEEDMP COCC[NH+]1CCC([NH2+]CC2CCC(C#N)CC2)CC1 ZINC000442876378 330789708 /nfs/dbraw/zinc/78/97/08/330789708.db2.gz RBXGXNZTYDOJTG-UHFFFAOYSA-N 2 1 279.428 2.017 20 30 CEEDMP CC(C)(C[NH+]1CCCC1)[NH2+]CCCSCC#N ZINC000452099981 331054243 /nfs/dbraw/zinc/05/42/43/331054243.db2.gz YDNTYYDJAWTNDX-UHFFFAOYSA-N 2 1 255.431 2.097 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](CCC)c1cccnc1 ZINC000491536373 332231801 /nfs/dbraw/zinc/23/18/01/332231801.db2.gz JFEWPDBJXBJLQR-INIZCTEOSA-N 2 1 259.397 2.468 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](CCC)c1cccnc1 ZINC000491536373 332231802 /nfs/dbraw/zinc/23/18/02/332231802.db2.gz JFEWPDBJXBJLQR-INIZCTEOSA-N 2 1 259.397 2.468 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H]2CCCOC2)CC1 ZINC000344237759 526602343 /nfs/dbraw/zinc/60/23/43/526602343.db2.gz GKTYOIJEKGAOQJ-CQSZACIVSA-N 2 1 252.402 2.043 20 30 CEEDMP C=CCOc1ccccc1C[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000347145712 526934494 /nfs/dbraw/zinc/93/44/94/526934494.db2.gz YBDIDCVRTKLFTE-HIFRSBDPSA-N 2 1 260.381 2.421 20 30 CEEDMP C=CCOc1ccccc1C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000347145712 526934498 /nfs/dbraw/zinc/93/44/98/526934498.db2.gz YBDIDCVRTKLFTE-HIFRSBDPSA-N 2 1 260.381 2.421 20 30 CEEDMP CN1CCc2cc(C=[NH+]NCC[NH+]3CCCCC3)ccc21 ZINC000752726925 575313866 /nfs/dbraw/zinc/31/38/66/575313866.db2.gz MGISZRDOSYLACK-UHFFFAOYSA-N 2 1 286.423 2.088 20 30 CEEDMP CC[N@@H+]1CCC(=[NH+]n2cc(Br)cn2)[C@H](C)C1 ZINC000752745596 575314240 /nfs/dbraw/zinc/31/42/40/575314240.db2.gz DRSKMIYXGWKUCA-SECBINFHSA-N 2 1 285.189 2.211 20 30 CEEDMP CC[N@H+]1CCC(=[NH+]n2cc(Br)cn2)[C@H](C)C1 ZINC000752745596 575314241 /nfs/dbraw/zinc/31/42/41/575314241.db2.gz DRSKMIYXGWKUCA-SECBINFHSA-N 2 1 285.189 2.211 20 30 CEEDMP C#CCCOc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000125518702 649927322 /nfs/dbraw/zinc/92/73/22/649927322.db2.gz YEMRZQAGJMVNNT-QGZVFWFLSA-N 2 1 286.419 2.472 20 30 CEEDMP C#CCCOc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000125518702 649927325 /nfs/dbraw/zinc/92/73/25/649927325.db2.gz YEMRZQAGJMVNNT-QGZVFWFLSA-N 2 1 286.419 2.472 20 30 CEEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC000948040448 613265974 /nfs/dbraw/zinc/26/59/74/613265974.db2.gz QAAIGQJSXDNOLY-JKSUJKDBSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C ZINC000947615811 613778947 /nfs/dbraw/zinc/77/89/47/613778947.db2.gz LJSCMRKTCYQMJS-CABCVRRESA-N 2 1 293.455 2.016 20 30 CEEDMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(OC)c(C#N)c2)C1 ZINC000742368385 623402721 /nfs/dbraw/zinc/40/27/21/623402721.db2.gz FKBWAXYCWRFPEV-OAHLLOKOSA-N 2 1 287.407 2.388 20 30 CEEDMP C#CCC1([NH2+]C[C@@H](O)C[N@H+](C)C(C)C)CCCCC1 ZINC000933265283 623569911 /nfs/dbraw/zinc/56/99/11/623569911.db2.gz DLWCACKCWDJDDO-OAHLLOKOSA-N 2 1 266.429 2.003 20 30 CEEDMP CCC1(CC)CCN(C(NC[C@@H]2CC[N@@H+](C)C2)=[NH+]C)C1 ZINC000261987263 624111308 /nfs/dbraw/zinc/11/13/08/624111308.db2.gz QLMGDBNXFBUXCW-AWEZNQCLSA-N 2 1 280.460 2.026 20 30 CEEDMP C#CC[N@H+](C)CCCNCc1cn(-c2ccccc2)nc1C ZINC000820845926 634548710 /nfs/dbraw/zinc/54/87/10/634548710.db2.gz AXNGGJLFFNKKRM-UHFFFAOYSA-N 2 1 296.418 2.225 20 30 CEEDMP C#CC[N@@H+](C)CCCNCc1cn(-c2ccccc2)nc1C ZINC000820845926 634548713 /nfs/dbraw/zinc/54/87/13/634548713.db2.gz AXNGGJLFFNKKRM-UHFFFAOYSA-N 2 1 296.418 2.225 20 30 CEEDMP C=C(C)CN1CCC([NH2+]Cc2cn(C)nc2C2CC2)CC1 ZINC000892880848 627827903 /nfs/dbraw/zinc/82/79/03/627827903.db2.gz LRQZKQGIMUWULK-UHFFFAOYSA-N 2 1 288.439 2.428 20 30 CEEDMP C=CC[NH+]1CCC(N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000924984901 629322171 /nfs/dbraw/zinc/32/21/71/629322171.db2.gz YMUGVQFJAUZKNO-IRXDYDNUSA-N 2 1 277.456 2.243 20 30 CEEDMP C=CC[NH+]1CCC(N[C@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000924984901 629322174 /nfs/dbraw/zinc/32/21/74/629322174.db2.gz YMUGVQFJAUZKNO-IRXDYDNUSA-N 2 1 277.456 2.243 20 30 CEEDMP C[C@H](CNC(=[NH2+])N1CCC[C@@H](C)C1)[N@H+]1CCCC[C@H]1C ZINC000261972330 629407094 /nfs/dbraw/zinc/40/70/94/629407094.db2.gz DRULYSZGLHZVTI-RBSFLKMASA-N 2 1 280.460 2.296 20 30 CEEDMP CC[NH+]=C(NCC(C)(C)C)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000262024959 629449133 /nfs/dbraw/zinc/44/91/33/629449133.db2.gz ZLKGBESCJYSYHP-TZMCWYRMSA-N 2 1 280.460 2.070 20 30 CEEDMP C[N@H+]1CCC[C@@H](CC[NH2+]CC#Cc2ccccc2)C1 ZINC000894861449 629700653 /nfs/dbraw/zinc/70/06/53/629700653.db2.gz UWXAWQLDOACLMU-KRWDZBQOSA-N 2 1 256.393 2.360 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000894862493 629702325 /nfs/dbraw/zinc/70/23/25/629702325.db2.gz BUABDYZHVRBFGK-DLBZAZTESA-N 2 1 256.393 2.335 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000894862493 629702330 /nfs/dbraw/zinc/70/23/30/629702330.db2.gz BUABDYZHVRBFGK-DLBZAZTESA-N 2 1 256.393 2.335 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1c2ccccc2C[C@@H]1C ZINC000815652905 633043972 /nfs/dbraw/zinc/04/39/72/633043972.db2.gz ZSVGJCFWTHTVIK-YOEHRIQHSA-N 2 1 256.393 2.465 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1c2ccccc2C[C@@H]1C ZINC000815652905 633043976 /nfs/dbraw/zinc/04/39/76/633043976.db2.gz ZSVGJCFWTHTVIK-YOEHRIQHSA-N 2 1 256.393 2.465 20 30 CEEDMP C#CC[NH+](C)CCCN[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000815652567 633044010 /nfs/dbraw/zinc/04/40/10/633044010.db2.gz IGMHHWBWDXKQIL-IEBWSBKVSA-N 2 1 299.462 2.052 20 30 CEEDMP C#CC[NH+](C)CCCN[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000815652567 633044015 /nfs/dbraw/zinc/04/40/15/633044015.db2.gz IGMHHWBWDXKQIL-IEBWSBKVSA-N 2 1 299.462 2.052 20 30 CEEDMP C#CC[N@@H+](C)CCCN[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C ZINC000815652567 633044019 /nfs/dbraw/zinc/04/40/19/633044019.db2.gz IGMHHWBWDXKQIL-IEBWSBKVSA-N 2 1 299.462 2.052 20 30 CEEDMP C#CC[N@H+](C)CCCN[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C ZINC000815652567 633044022 /nfs/dbraw/zinc/04/40/22/633044022.db2.gz IGMHHWBWDXKQIL-IEBWSBKVSA-N 2 1 299.462 2.052 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)[C@H]1COc2ccccc2C1 ZINC000903001678 634932627 /nfs/dbraw/zinc/93/26/27/634932627.db2.gz XDCHUIFZHFDRIU-DOTOQJQBSA-N 2 1 286.419 2.171 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)[C@H]1COc2ccccc2C1 ZINC000903001678 634932630 /nfs/dbraw/zinc/93/26/30/634932630.db2.gz XDCHUIFZHFDRIU-DOTOQJQBSA-N 2 1 286.419 2.171 20 30 CEEDMP N#CC1CCC(C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)CC1 ZINC000903475877 635145011 /nfs/dbraw/zinc/14/50/11/635145011.db2.gz GQRHMQVSDLHQKI-FJBKBRRZSA-N 2 1 261.413 2.390 20 30 CEEDMP N#CC1CCC(C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)CC1 ZINC000903475877 635145015 /nfs/dbraw/zinc/14/50/15/635145015.db2.gz GQRHMQVSDLHQKI-FJBKBRRZSA-N 2 1 261.413 2.390 20 30 CEEDMP C=CCOc1ccc(C[N@H+]2CC[C@@H](CC[NH3+])C2)cc1OC ZINC000904411268 635619289 /nfs/dbraw/zinc/61/92/89/635619289.db2.gz SZYUKMCIJSRXPB-CQSZACIVSA-N 2 1 290.407 2.431 20 30 CEEDMP C#CCCCCCC[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000876737827 650414637 /nfs/dbraw/zinc/41/46/37/650414637.db2.gz WADHMJTWECQNRF-UHFFFAOYSA-N 2 1 280.456 2.349 20 30 CEEDMP C#CCOc1ccccc1C[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000044534380 639321838 /nfs/dbraw/zinc/32/18/38/639321838.db2.gz IGBZPZCSSGFOOX-OAHLLOKOSA-N 2 1 272.392 2.130 20 30 CEEDMP C#CCOc1ccccc1C[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000044534380 639321845 /nfs/dbraw/zinc/32/18/45/639321845.db2.gz IGBZPZCSSGFOOX-OAHLLOKOSA-N 2 1 272.392 2.130 20 30 CEEDMP C[C@@H](C[NH2+]CC#Cc1ccccc1)C[NH+]1CCCC1 ZINC000062071294 639735645 /nfs/dbraw/zinc/73/56/45/639735645.db2.gz UKHHXVNLIPHKBB-INIZCTEOSA-N 2 1 256.393 2.360 20 30 CEEDMP C#C[C@@H]1CCC[NH+](CC(C)C[N@H+]2CCC[C@@H](C#C)C2)C1 ZINC000847022012 641527215 /nfs/dbraw/zinc/52/72/15/641527215.db2.gz RFQQEZMFPIMQGS-QZTJIDSGSA-N 2 1 272.436 2.313 20 30 CEEDMP C#CCCCC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000848534840 642040858 /nfs/dbraw/zinc/04/08/58/642040858.db2.gz AFMVXCZPBLKKMQ-MRXNPFEDSA-N 2 1 264.413 2.023 20 30 CEEDMP C[NH+]=C(NCc1ccco1)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000849024063 642237462 /nfs/dbraw/zinc/23/74/62/642237462.db2.gz PJJAXSXWFXUSBM-AWEZNQCLSA-N 2 1 292.427 2.065 20 30 CEEDMP C#CCCCCCC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000877635671 650827039 /nfs/dbraw/zinc/82/70/39/650827039.db2.gz AYCUWCNUWPOLAG-QGZVFWFLSA-N 2 1 278.440 2.413 20 30 CEEDMP C[N@@H+](CCC[NH2+]C1CC1)CCc1cccc(C#N)c1 ZINC000923415814 643698979 /nfs/dbraw/zinc/69/89/79/643698979.db2.gz IVBBYEXOOITLRD-UHFFFAOYSA-N 2 1 257.381 2.175 20 30 CEEDMP C[N@H+](C[C@H](O)c1ccc(C#N)cc1)C1(C[NH3+])CCCCC1 ZINC000923422792 643702892 /nfs/dbraw/zinc/70/28/92/643702892.db2.gz NBZFJZWUBWIFCT-INIZCTEOSA-N 2 1 287.407 2.185 20 30 CEEDMP C[N@@H+](C[C@H](O)c1ccc(C#N)cc1)C1(C[NH3+])CCCCC1 ZINC000923422792 643702896 /nfs/dbraw/zinc/70/28/96/643702896.db2.gz NBZFJZWUBWIFCT-INIZCTEOSA-N 2 1 287.407 2.185 20 30 CEEDMP C=CCn1c(C)cc(C(=O)C[N@H+]2CC[C@@H](CC[NH3+])C2)c1C ZINC000923485953 643732879 /nfs/dbraw/zinc/73/28/79/643732879.db2.gz ZSSRIMJULGLXTA-OAHLLOKOSA-N 2 1 289.423 2.144 20 30 CEEDMP C=CCn1c(C)cc(C(=O)C[N@H+]2CC[C@H](CC[NH3+])C2)c1C ZINC000923485952 643733281 /nfs/dbraw/zinc/73/32/81/643733281.db2.gz ZSSRIMJULGLXTA-HNNXBMFYSA-N 2 1 289.423 2.144 20 30 CEEDMP CC#CC[NH+]1CC[C@H](Oc2ccnc(C[N@H+](C)CC)c2)C1 ZINC000856585675 644695751 /nfs/dbraw/zinc/69/57/51/644695751.db2.gz LGRRQTHNQLLCMJ-KRWDZBQOSA-N 2 1 287.407 2.010 20 30 CEEDMP CC#CC[N@H+]1CC[C@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856585675 644695755 /nfs/dbraw/zinc/69/57/55/644695755.db2.gz LGRRQTHNQLLCMJ-KRWDZBQOSA-N 2 1 287.407 2.010 20 30 CEEDMP CC#CC[N@@H+]1CC[C@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856585675 644695756 /nfs/dbraw/zinc/69/57/56/644695756.db2.gz LGRRQTHNQLLCMJ-KRWDZBQOSA-N 2 1 287.407 2.010 20 30 CEEDMP C=CC[C@H](C)[N@H+]1CC[C@H](OCC[NH+](CC)CC)C1 ZINC000878158772 651018541 /nfs/dbraw/zinc/01/85/41/651018541.db2.gz OEFQZKLRNVFIGE-GJZGRUSLSA-N 2 1 254.418 2.384 20 30 CEEDMP C#CCCC[NH2+][C@H]1CC[N@H+](CCCOCC)C[C@@H]1C ZINC000766223587 645859815 /nfs/dbraw/zinc/85/98/15/645859815.db2.gz RJVAOXLXKPNVAT-HOTGVXAUSA-N 2 1 266.429 2.126 20 30 CEEDMP C#CCSCC[NH2+][C@@H]1CC[N@H+](CCCOCC)C[C@@H]1C ZINC000773009611 646695725 /nfs/dbraw/zinc/69/57/25/646695725.db2.gz CYWQZNXXGAQHMH-JKSUJKDBSA-N 2 1 298.496 2.079 20 30 CEEDMP CC(C)[N@H+](C)CCC[NH2+]Cc1cc(C#N)ccc1N(C)C ZINC000865409654 647279825 /nfs/dbraw/zinc/27/98/25/647279825.db2.gz OWDRALRVCKFKNE-UHFFFAOYSA-N 2 1 288.439 2.444 20 30 CEEDMP CC(C)[N@@H+](C)CCC[NH2+]Cc1cc(C#N)ccc1N(C)C ZINC000865409654 647279828 /nfs/dbraw/zinc/27/98/28/647279828.db2.gz OWDRALRVCKFKNE-UHFFFAOYSA-N 2 1 288.439 2.444 20 30 CEEDMP c1nncn1[NH+]=C1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000781115237 647501106 /nfs/dbraw/zinc/50/11/06/647501106.db2.gz KERHYSAQCUFJPD-JKSUJKDBSA-N 2 1 295.390 2.414 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+]C/C=C\c1ccc(F)cc1 ZINC000883131045 652372149 /nfs/dbraw/zinc/37/21/49/652372149.db2.gz DCWAPOIROAYUHZ-XQRVVYSFSA-N 2 1 260.356 2.384 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+]C/C=C\c1ccc(F)cc1 ZINC000883131045 652372151 /nfs/dbraw/zinc/37/21/51/652372151.db2.gz DCWAPOIROAYUHZ-XQRVVYSFSA-N 2 1 260.356 2.384 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1ccccc1-c1ccnn1C ZINC000883131280 652372681 /nfs/dbraw/zinc/37/26/81/652372681.db2.gz UFJBFNVJAQKIJZ-UHFFFAOYSA-N 2 1 296.418 2.132 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+]Cc1ccccc1-c1ccnn1C ZINC000883131280 652372684 /nfs/dbraw/zinc/37/26/84/652372684.db2.gz UFJBFNVJAQKIJZ-UHFFFAOYSA-N 2 1 296.418 2.132 20 30 CEEDMP C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001266495156 802630680 /nfs/dbraw/zinc/63/06/80/802630680.db2.gz IDFVHGQEBAGIOC-INIZCTEOSA-N 2 1 293.455 2.019 20 30 CEEDMP C=C(C)CC[N@@H+](CCC)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001266564880 802720914 /nfs/dbraw/zinc/72/09/14/802720914.db2.gz DVKMGWGZUMRTCJ-MRXNPFEDSA-N 2 1 295.471 2.265 20 30 CEEDMP C=C(C)CC[NH+](CCC)CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001266564880 802720917 /nfs/dbraw/zinc/72/09/17/802720917.db2.gz DVKMGWGZUMRTCJ-MRXNPFEDSA-N 2 1 295.471 2.265 20 30 CEEDMP C=C(C)CC[NH+](CCC)CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001266564880 802720919 /nfs/dbraw/zinc/72/09/19/802720919.db2.gz DVKMGWGZUMRTCJ-MRXNPFEDSA-N 2 1 295.471 2.265 20 30 CEEDMP N#CCC[N@H+](Cc1ccccc1)CC1CC[NH2+]CC1 ZINC001207436939 803610108 /nfs/dbraw/zinc/61/01/08/803610108.db2.gz XJDORJYMOQBIMX-UHFFFAOYSA-N 2 1 257.381 2.402 20 30 CEEDMP C=CC[N@H+](C)[C@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001027492374 804092263 /nfs/dbraw/zinc/09/22/63/804092263.db2.gz NHCLCKQASJFQJB-INIZCTEOSA-N 2 1 298.390 2.057 20 30 CEEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001027983639 804380061 /nfs/dbraw/zinc/38/00/61/804380061.db2.gz BUDCLTGIDKYVBV-AWEZNQCLSA-N 2 1 298.390 2.023 20 30 CEEDMP C=C(C)C[NH2+]CCCN(C)C(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001268876514 804993102 /nfs/dbraw/zinc/99/31/02/804993102.db2.gz JUSYKYOCOJMKCN-HOTGVXAUSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CC)CC1(C)C ZINC001284336780 804995242 /nfs/dbraw/zinc/99/52/42/804995242.db2.gz VGFDMSIZXNKPKJ-OAHLLOKOSA-N 2 1 295.471 2.121 20 30 CEEDMP C=CCCCCCCCN1CC[NH2+]C[C@]12CC[NH2+]C2 ZINC001234978557 807756353 /nfs/dbraw/zinc/75/63/53/807756353.db2.gz ALCZZLURWFMHIW-MRXNPFEDSA-N 2 1 265.445 2.150 20 30 CEEDMP C=CC[NH+]1CCN([C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC001171758490 815225105 /nfs/dbraw/zinc/22/51/05/815225105.db2.gz XJBJAUSAIUNNBL-PKOBYXMFSA-N 2 1 299.462 2.453 20 30 CEEDMP C=CC[NH+]1CCN([C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC001171758490 815225109 /nfs/dbraw/zinc/22/51/09/815225109.db2.gz XJBJAUSAIUNNBL-PKOBYXMFSA-N 2 1 299.462 2.453 20 30 CEEDMP C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001033273195 809255097 /nfs/dbraw/zinc/25/50/97/809255097.db2.gz RTTJMUNBODKKNG-INIZCTEOSA-N 2 1 298.390 2.057 20 30 CEEDMP COCCC[NH+]1CCC([N@@H+]2CCC[C@@H](CC#N)C2)CC1 ZINC001172256268 815359553 /nfs/dbraw/zinc/35/95/53/815359553.db2.gz VIALVFXPOBKDEZ-HNNXBMFYSA-N 2 1 279.428 2.113 20 30 CEEDMP COCCC[NH+]1CCC([N@H+]2CCC[C@@H](CC#N)C2)CC1 ZINC001172256268 815359559 /nfs/dbraw/zinc/35/95/59/815359559.db2.gz VIALVFXPOBKDEZ-HNNXBMFYSA-N 2 1 279.428 2.113 20 30 CEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001015796003 810356833 /nfs/dbraw/zinc/35/68/33/810356833.db2.gz UKTGCISWCGGOPK-CVEARBPZSA-N 2 1 293.455 2.018 20 30 CEEDMP C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCc2nccn2CC1 ZINC001172311744 815366701 /nfs/dbraw/zinc/36/67/01/815366701.db2.gz XHSOWIMLYGXDKB-CQSZACIVSA-N 2 1 280.375 2.244 20 30 CEEDMP C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCc2[nH+]ccn2CC1 ZINC001172311744 815366705 /nfs/dbraw/zinc/36/67/05/815366705.db2.gz XHSOWIMLYGXDKB-CQSZACIVSA-N 2 1 280.375 2.244 20 30 CEEDMP C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001172311744 815366709 /nfs/dbraw/zinc/36/67/09/815366709.db2.gz XHSOWIMLYGXDKB-CQSZACIVSA-N 2 1 280.375 2.244 20 30 CEEDMP C=CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001019632587 810725153 /nfs/dbraw/zinc/72/51/53/810725153.db2.gz RTMAMQQIZFIJFW-HOTGVXAUSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001038783893 810913195 /nfs/dbraw/zinc/91/31/95/810913195.db2.gz ZRKCSTGQNSCFTG-HZPDHXFCSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CCC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001038783893 810913203 /nfs/dbraw/zinc/91/32/03/810913203.db2.gz ZRKCSTGQNSCFTG-HZPDHXFCSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CCC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001038783893 810913208 /nfs/dbraw/zinc/91/32/08/810913208.db2.gz ZRKCSTGQNSCFTG-HZPDHXFCSA-N 2 1 293.455 2.016 20 30 CEEDMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cccc(C#N)c1)C2 ZINC001169081637 811376720 /nfs/dbraw/zinc/37/67/20/811376720.db2.gz UYMONNIDVRUMBI-PHZGNYQRSA-N 2 1 255.365 2.273 20 30 CEEDMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cccc(C#N)c1)C2 ZINC001169081637 811376730 /nfs/dbraw/zinc/37/67/30/811376730.db2.gz UYMONNIDVRUMBI-PHZGNYQRSA-N 2 1 255.365 2.273 20 30 CEEDMP C#Cc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)cc1 ZINC001206012612 811558070 /nfs/dbraw/zinc/55/80/70/811558070.db2.gz MXOSLOHQXOPZGG-YOEHRIQHSA-N 2 1 256.393 2.475 20 30 CEEDMP C=C(C)CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001169809116 811675173 /nfs/dbraw/zinc/67/51/73/811675173.db2.gz FHECLTBYHATUET-JKSUJKDBSA-N 2 1 295.471 2.311 20 30 CEEDMP C=C(C)C[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001046316304 811736570 /nfs/dbraw/zinc/73/65/70/811736570.db2.gz NUJSRVBHDNPDAK-DOTOQJQBSA-N 2 1 293.455 2.016 20 30 CEEDMP C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001046316304 811736576 /nfs/dbraw/zinc/73/65/76/811736576.db2.gz NUJSRVBHDNPDAK-DOTOQJQBSA-N 2 1 293.455 2.016 20 30 CEEDMP C=C(C)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001046316304 811736582 /nfs/dbraw/zinc/73/65/82/811736582.db2.gz NUJSRVBHDNPDAK-DOTOQJQBSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109673295 811926451 /nfs/dbraw/zinc/92/64/51/811926451.db2.gz HPESBLSZWLBQPA-WCVJEAGWSA-N 2 1 293.455 2.014 20 30 CEEDMP C=C(C)CC[NH+]1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001113340848 812224331 /nfs/dbraw/zinc/22/43/31/812224331.db2.gz BWCIQARWHPVGGX-MRXNPFEDSA-N 2 1 295.471 2.217 20 30 CEEDMP N#CC1(c2ccccc2)CCC([NH2+]C2(C[NH3+])CC2)CC1 ZINC001170376581 812402502 /nfs/dbraw/zinc/40/25/02/812402502.db2.gz QSSPNQOEHROVEP-UHFFFAOYSA-N 2 1 269.392 2.471 20 30 CEEDMP C=CCC[C@@H](C)[NH2+]CCNC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001129423047 812492941 /nfs/dbraw/zinc/49/29/41/812492941.db2.gz OPERMETWIVNQIO-CVEARBPZSA-N 2 1 295.471 2.310 20 30 CEEDMP C=CCCC[NH2+][C@H](C)C[C@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001135009684 813352433 /nfs/dbraw/zinc/35/24/33/813352433.db2.gz ZMSMASHBXKXCQU-KGLIPLIRSA-N 2 1 292.427 2.031 20 30 CEEDMP C=C(C)C[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001135475970 813446278 /nfs/dbraw/zinc/44/62/78/813446278.db2.gz HMKUDDITVGMCBT-CABCVRRESA-N 2 1 297.487 2.413 20 30 CEEDMP C=CC[N@@H+]1CCC[C@H]1c1ccc(N[C@H]([NH3+])CCC[NH3+])cc1 ZINC001170907118 813632551 /nfs/dbraw/zinc/63/25/51/813632551.db2.gz ZRUDWKFNIKDCCH-IRXDYDNUSA-N 3 1 288.439 2.445 20 30 CEEDMP C=CCC[C@H](C)[NH2+]CCCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001160274140 813754849 /nfs/dbraw/zinc/75/48/49/813754849.db2.gz PKQGTSYIVIQYCU-JKSUJKDBSA-N 2 1 295.471 2.311 20 30 CEEDMP C=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001171119372 813897585 /nfs/dbraw/zinc/89/75/85/813897585.db2.gz IVSMJNKFOJPGDE-HZPDHXFCSA-N 2 1 295.471 2.311 20 30 CEEDMP C=CCOC1CCC([N@@H+](CCC[NH3+])CCC[NH+](C)C)CC1 ZINC001173315000 815688247 /nfs/dbraw/zinc/68/82/47/815688247.db2.gz YZHASZVBNKZSOB-UHFFFAOYSA-N 3 1 297.487 2.103 20 30 CEEDMP C=CCOC1CCC([N@H+](CCC[NH3+])CCC[NH+](C)C)CC1 ZINC001173315000 815688253 /nfs/dbraw/zinc/68/82/53/815688253.db2.gz YZHASZVBNKZSOB-UHFFFAOYSA-N 3 1 297.487 2.103 20 30 CEEDMP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001175263428 816164138 /nfs/dbraw/zinc/16/41/38/816164138.db2.gz POSUYMOZMPMHSG-JKSUJKDBSA-N 2 1 295.471 2.169 20 30 CEEDMP C=CCC[NH2+]CCCC[C@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001176164684 816366931 /nfs/dbraw/zinc/36/69/31/816366931.db2.gz DGKJPQLGACEVJK-JKSUJKDBSA-N 2 1 295.471 2.169 20 30 CEEDMP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+](C)CCC ZINC001176284783 816377684 /nfs/dbraw/zinc/37/76/84/816377684.db2.gz KFXQMBCINZVKAB-OAHLLOKOSA-N 2 1 283.460 2.169 20 30 CEEDMP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)CC[N@H+](C)CCC ZINC001176267399 816385408 /nfs/dbraw/zinc/38/54/08/816385408.db2.gz BNFYTGCHQJMAHL-MRXNPFEDSA-N 2 1 295.471 2.006 20 30 CEEDMP C=CCC[NH2+]CCCCCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001178522748 816758361 /nfs/dbraw/zinc/75/83/61/816758361.db2.gz PQTQMUSDOJROCM-HZPDHXFCSA-N 2 1 295.471 2.169 20 30 CEEDMP C=CC[NH2+]CCCCCCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001178729440 816793280 /nfs/dbraw/zinc/79/32/80/816793280.db2.gz YAOBSCHJSAUUDY-MRXNPFEDSA-N 2 1 295.471 2.313 20 30 CEEDMP N#CCOc1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000035054365 361806866 /nfs/dbraw/zinc/80/68/66/361806866.db2.gz CEXLGJBMEOEDGW-UHFFFAOYSA-N 2 1 285.391 2.305 20 30 CEEDMP Cc1ccc(C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)cc1C#N ZINC000601334774 346823780 /nfs/dbraw/zinc/82/37/80/346823780.db2.gz NPQKKVPUJQZOQM-NVXWUHKLSA-N 2 1 269.392 2.441 20 30 CEEDMP Cc1ccc(C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)cc1C#N ZINC000601334774 346823782 /nfs/dbraw/zinc/82/37/82/346823782.db2.gz NPQKKVPUJQZOQM-NVXWUHKLSA-N 2 1 269.392 2.441 20 30 CEEDMP C[N@H+]1CC=C(C[NH2+]Cc2cccc(F)c2C#N)CC1 ZINC000602016460 346960851 /nfs/dbraw/zinc/96/08/51/346960851.db2.gz WWUIPYPWOPHXMK-UHFFFAOYSA-N 2 1 259.328 2.049 20 30 CEEDMP C[N@@H+]1CC=C(C[NH2+]Cc2cccc(F)c2C#N)CC1 ZINC000602016460 346960853 /nfs/dbraw/zinc/96/08/53/346960853.db2.gz WWUIPYPWOPHXMK-UHFFFAOYSA-N 2 1 259.328 2.049 20 30 CEEDMP Cc1[nH+]ccn1CCC[NH2+]Cc1cccc(C#N)c1 ZINC000069754388 343790989 /nfs/dbraw/zinc/79/09/89/343790989.db2.gz LZMXELCMBYPLGV-UHFFFAOYSA-N 2 1 254.337 2.243 20 30 CEEDMP C[C@H](CCC#N)C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000602486723 347056342 /nfs/dbraw/zinc/05/63/42/347056342.db2.gz OYSSRKVKQLFDIL-KLHDSHLOSA-N 2 1 279.428 2.110 20 30 CEEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000602561521 347078261 /nfs/dbraw/zinc/07/82/61/347078261.db2.gz RZUYJKNMXLUYTJ-KFWWJZLASA-N 2 1 279.428 2.158 20 30 CEEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000602561521 347078265 /nfs/dbraw/zinc/07/82/65/347078265.db2.gz RZUYJKNMXLUYTJ-KFWWJZLASA-N 2 1 279.428 2.158 20 30 CEEDMP N#CCc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000399137772 344856835 /nfs/dbraw/zinc/85/68/35/344856835.db2.gz SDOULUFPOVLHCP-SJORKVTESA-N 2 1 269.392 2.469 20 30 CEEDMP COc1cc(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)ccc1C#N ZINC000591282643 345237226 /nfs/dbraw/zinc/23/72/26/345237226.db2.gz JTFFWGBEACJFGP-HNNXBMFYSA-N 2 1 285.391 2.331 20 30 CEEDMP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CCOc1ccc(C#N)cc1)C2 ZINC000595507994 345798924 /nfs/dbraw/zinc/79/89/24/345798924.db2.gz STEVOSGQWVFJJW-GOSISDBHSA-N 2 1 299.418 2.355 20 30 CEEDMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCOc1ccc(C#N)cc1)C2 ZINC000595507994 345798926 /nfs/dbraw/zinc/79/89/26/345798926.db2.gz STEVOSGQWVFJJW-GOSISDBHSA-N 2 1 299.418 2.355 20 30 CEEDMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCOc1ccc(C#N)cc1)C2 ZINC000595507994 345798929 /nfs/dbraw/zinc/79/89/29/345798929.db2.gz STEVOSGQWVFJJW-GOSISDBHSA-N 2 1 299.418 2.355 20 30 CEEDMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCOc1ccc(C#N)cc1)C2 ZINC000595507994 345798933 /nfs/dbraw/zinc/79/89/33/345798933.db2.gz STEVOSGQWVFJJW-GOSISDBHSA-N 2 1 299.418 2.355 20 30 CEEDMP C[NH+](C)CCC[C@@H]1C[N@@H+](CCCC(C)(C)C#N)CCO1 ZINC000595905862 345910978 /nfs/dbraw/zinc/91/09/78/345910978.db2.gz HXZXVXKLYYLCFR-OAHLLOKOSA-N 2 1 281.444 2.359 20 30 CEEDMP CC(C)(C#N)C[C@H](O)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000598595051 346380280 /nfs/dbraw/zinc/38/02/80/346380280.db2.gz MIMHPUNKCUIUOC-CVEARBPZSA-N 2 1 293.455 2.095 20 30 CEEDMP C[N@H+]1CCCC[C@@H](CNCc2cc(C#N)cs2)C1 ZINC000598993988 346443642 /nfs/dbraw/zinc/44/36/42/346443642.db2.gz FPKNOIKAYNTIGH-LBPRGKRZSA-N 2 1 263.410 2.441 20 30 CEEDMP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2cc(C#N)cs2)C1 ZINC000598993988 346443645 /nfs/dbraw/zinc/44/36/45/346443645.db2.gz FPKNOIKAYNTIGH-LBPRGKRZSA-N 2 1 263.410 2.441 20 30 CEEDMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2cc(C#N)cs2)C1 ZINC000598993988 346443646 /nfs/dbraw/zinc/44/36/46/346443646.db2.gz FPKNOIKAYNTIGH-LBPRGKRZSA-N 2 1 263.410 2.441 20 30 CEEDMP C[C@H](CCC#N)[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000602847877 347223115 /nfs/dbraw/zinc/22/31/15/347223115.db2.gz LHSSJXRDIYCTCC-CQSZACIVSA-N 2 1 258.369 2.286 20 30 CEEDMP N#Cc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000107775331 186190218 /nfs/dbraw/zinc/19/02/18/186190218.db2.gz VNKUNRHRLDLSKF-HZPDHXFCSA-N 2 1 255.365 2.275 20 30 CEEDMP N#Cc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000107775331 186190219 /nfs/dbraw/zinc/19/02/19/186190219.db2.gz VNKUNRHRLDLSKF-HZPDHXFCSA-N 2 1 255.365 2.275 20 30 CEEDMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000271868036 191379101 /nfs/dbraw/zinc/37/91/01/191379101.db2.gz VMBUZGXZIVCZSG-GFCCVEGCSA-N 2 1 254.337 2.414 20 30 CEEDMP C#CCOc1ccccc1C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000179636070 189209364 /nfs/dbraw/zinc/20/93/64/189209364.db2.gz NTNXLBBYXFQSOH-HNNXBMFYSA-N 2 1 272.392 2.082 20 30 CEEDMP C#CCOc1ccccc1C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000179636070 189209365 /nfs/dbraw/zinc/20/93/65/189209365.db2.gz NTNXLBBYXFQSOH-HNNXBMFYSA-N 2 1 272.392 2.082 20 30 CEEDMP C#CC[N@@H+](CCC)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000114477092 364948189 /nfs/dbraw/zinc/94/81/89/364948189.db2.gz TUBJPNKQCMDDBS-UHFFFAOYSA-N 2 1 286.423 2.407 20 30 CEEDMP C#CC[N@H+](CCC)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000114477092 364948190 /nfs/dbraw/zinc/94/81/90/364948190.db2.gz TUBJPNKQCMDDBS-UHFFFAOYSA-N 2 1 286.423 2.407 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)[C@H]2CCCO2)CC1 ZINC000346559821 368717311 /nfs/dbraw/zinc/71/73/11/368717311.db2.gz MSISSPJYLSDHHG-UKRRQHHQSA-N 2 1 252.402 2.184 20 30 CEEDMP C=CCOc1cccc(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000346669867 368761501 /nfs/dbraw/zinc/76/15/01/368761501.db2.gz JDXYXKXOWJYVOG-DZGCQCFKSA-N 2 1 260.381 2.421 20 30 CEEDMP C=CC(C)(C)C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634715967 368835572 /nfs/dbraw/zinc/83/55/72/368835572.db2.gz MPTPFLIMOPDYCI-GOSISDBHSA-N 2 1 288.435 2.425 20 30 CEEDMP C=CC(C)(C)C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634715967 368835576 /nfs/dbraw/zinc/83/55/76/368835576.db2.gz MPTPFLIMOPDYCI-GOSISDBHSA-N 2 1 288.435 2.425 20 30 CEEDMP C=CC[C@@H](CO)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000186704184 369023558 /nfs/dbraw/zinc/02/35/58/369023558.db2.gz MALUOARRFZFKBX-KRWDZBQOSA-N 2 1 274.408 2.178 20 30 CEEDMP C=CC[NH+]1CCC([NH2+]C[C@@H](CC(C)C)OC)CC1 ZINC000638525265 370591708 /nfs/dbraw/zinc/59/17/08/370591708.db2.gz WLBGWGGPXDVYLG-OAHLLOKOSA-N 2 1 254.418 2.288 20 30 CEEDMP COc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1C#N ZINC000247887506 371145467 /nfs/dbraw/zinc/14/54/67/371145467.db2.gz DNENRBQCOGDBPM-DOTOQJQBSA-N 2 1 299.418 2.483 20 30 CEEDMP COc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1C#N ZINC000247887506 371145476 /nfs/dbraw/zinc/14/54/76/371145476.db2.gz DNENRBQCOGDBPM-DOTOQJQBSA-N 2 1 299.418 2.483 20 30 CEEDMP COc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1C#N ZINC000247887506 371145484 /nfs/dbraw/zinc/14/54/84/371145484.db2.gz DNENRBQCOGDBPM-DOTOQJQBSA-N 2 1 299.418 2.483 20 30 CEEDMP COc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1C#N ZINC000247887506 371145488 /nfs/dbraw/zinc/14/54/88/371145488.db2.gz DNENRBQCOGDBPM-DOTOQJQBSA-N 2 1 299.418 2.483 20 30 CEEDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000248767637 371244729 /nfs/dbraw/zinc/24/47/29/371244729.db2.gz HATABNJNSMDAJC-YUELXQCFSA-N 2 1 260.385 2.500 20 30 CEEDMP CCc1ccc(CNC(=[NH2+])NC[C@@H]2CCC[N@@H+]2CC)s1 ZINC000264069107 371961255 /nfs/dbraw/zinc/96/12/55/371961255.db2.gz CPOGNDMSVMUASZ-LBPRGKRZSA-N 2 1 294.468 2.199 20 30 CEEDMP Cc1[nH+]ccn1CCNC(=[NH2+])N[C@@H](C)CCCC(C)C ZINC000264125899 371973674 /nfs/dbraw/zinc/97/36/74/371973674.db2.gz WGMDFNJEKSZPHO-ZDUSSCGKSA-N 2 1 279.432 2.311 20 30 CEEDMP C=C(C)C[NH+]1CCC(N[C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)CC1 ZINC000367613431 373167730 /nfs/dbraw/zinc/16/77/30/373167730.db2.gz FNHXZXSCENXGGJ-KURKYZTESA-N 2 1 291.483 2.489 20 30 CEEDMP C[C@@H]([NH2+][C@H]1CCc2[nH+]ccn2C1)c1ccc(C#N)s1 ZINC000375843469 374685609 /nfs/dbraw/zinc/68/56/09/374685609.db2.gz SHOOKWNEPPTWJK-MNOVXSKESA-N 2 1 272.377 2.482 20 30 CEEDMP C[C@H]([NH2+]CCOc1ccc(C#N)cc1)c1c[nH+]ccc1N ZINC000422995087 376912220 /nfs/dbraw/zinc/91/22/20/376912220.db2.gz XAGPJHFTZDQHSD-LBPRGKRZSA-N 2 1 282.347 2.095 20 30 CEEDMP C[C@@H]([NH2+]CCc1cccc(C#N)c1)c1c[nH+]ccc1N ZINC000423095808 376988146 /nfs/dbraw/zinc/98/81/46/376988146.db2.gz GHUBIYXVVDBZFR-GFCCVEGCSA-N 2 1 266.348 2.259 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](CCOC)c1ccc(F)cc1 ZINC000294900958 378028452 /nfs/dbraw/zinc/02/84/52/378028452.db2.gz FNLVZBIGJZVCAF-QGZVFWFLSA-N 2 1 292.398 2.448 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@H](CCOC)c1ccc(F)cc1 ZINC000294900958 378028455 /nfs/dbraw/zinc/02/84/55/378028455.db2.gz FNLVZBIGJZVCAF-QGZVFWFLSA-N 2 1 292.398 2.448 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc2c(c1)CCO2 ZINC000295094215 378041881 /nfs/dbraw/zinc/04/18/81/378041881.db2.gz VDTLMOZVZFHBSO-AWEZNQCLSA-N 2 1 272.392 2.227 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc2c(c1)CCO2 ZINC000295094215 378041884 /nfs/dbraw/zinc/04/18/84/378041884.db2.gz VDTLMOZVZFHBSO-AWEZNQCLSA-N 2 1 272.392 2.227 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc2c(c1)OCCO2 ZINC000294894248 378026405 /nfs/dbraw/zinc/02/64/05/378026405.db2.gz FDVBYIHSCZUSQZ-AWEZNQCLSA-N 2 1 288.391 2.064 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc2c(c1)OCCO2 ZINC000294894248 378026414 /nfs/dbraw/zinc/02/64/14/378026414.db2.gz FDVBYIHSCZUSQZ-AWEZNQCLSA-N 2 1 288.391 2.064 20 30 CEEDMP C[N@H+]1CCC[C@H](N2CC[NH+](CCCC(C)(C)C#N)CC2)C1 ZINC000363589149 394881099 /nfs/dbraw/zinc/88/10/99/394881099.db2.gz KSBPQOMCCNAHJD-INIZCTEOSA-N 2 1 292.471 2.028 20 30 CEEDMP N#C[C@@H]1CC[C@@H]([N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)C1 ZINC000339005824 394936578 /nfs/dbraw/zinc/93/65/78/394936578.db2.gz BWQFTFQEENCWSS-OWCLPIDISA-N 2 1 261.413 2.486 20 30 CEEDMP C[C@@H]([NH2+]CC#CC[NH2+][C@H](C)c1ccccn1)c1ccccn1 ZINC000284143346 394941806 /nfs/dbraw/zinc/94/18/06/394941806.db2.gz OYFAFZDBMBKGJR-HZPDHXFCSA-N 2 1 294.402 2.481 20 30 CEEDMP C=CCN1CCC([NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)CC1 ZINC000367619900 394966956 /nfs/dbraw/zinc/96/69/56/394966956.db2.gz PSJFEKVBTDHPKL-ZACQAIPSSA-N 2 1 277.456 2.099 20 30 CEEDMP C=CCOc1cccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000427098783 395092251 /nfs/dbraw/zinc/09/22/51/395092251.db2.gz CMKCBGUAPNBLCD-WBVHZDCISA-N 2 1 272.392 2.435 20 30 CEEDMP C=CCOc1cccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000427098783 395092253 /nfs/dbraw/zinc/09/22/53/395092253.db2.gz CMKCBGUAPNBLCD-WBVHZDCISA-N 2 1 272.392 2.435 20 30 CEEDMP C=CCOc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cc1OC ZINC000346993978 395116494 /nfs/dbraw/zinc/11/64/94/395116494.db2.gz BASYAQOHGHUMOX-UKRRQHHQSA-N 2 1 290.407 2.429 20 30 CEEDMP C=CCOc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cc1OC ZINC000346993978 395116498 /nfs/dbraw/zinc/11/64/98/395116498.db2.gz BASYAQOHGHUMOX-UKRRQHHQSA-N 2 1 290.407 2.429 20 30 CEEDMP C[C@H](CCC#N)[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000351274491 395198199 /nfs/dbraw/zinc/19/81/99/395198199.db2.gz ZHNHQDHEUBEREF-ZACQAIPSSA-N 2 1 292.471 2.169 20 30 CEEDMP C[C@H](CCC#N)[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000351274491 395198203 /nfs/dbraw/zinc/19/82/03/395198203.db2.gz ZHNHQDHEUBEREF-ZACQAIPSSA-N 2 1 292.471 2.169 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(NC(C)=O)cc1 ZINC000294878835 395280494 /nfs/dbraw/zinc/28/04/94/395280494.db2.gz DFKYCRYKQWDXTG-CQSZACIVSA-N 2 1 287.407 2.251 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(NC(C)=O)cc1 ZINC000294878835 395280495 /nfs/dbraw/zinc/28/04/95/395280495.db2.gz DFKYCRYKQWDXTG-CQSZACIVSA-N 2 1 287.407 2.251 20 30 CEEDMP C=CCN(C)CC[N@H+](CC)CCCn1cc[nH+]c1C ZINC000411647319 395333919 /nfs/dbraw/zinc/33/39/19/395333919.db2.gz XLGVFMYCTWACAQ-UHFFFAOYSA-N 2 1 264.417 2.021 20 30 CEEDMP C=CCN(C)CC[N@@H+](CC)CCCn1cc[nH+]c1C ZINC000411647319 395333924 /nfs/dbraw/zinc/33/39/24/395333924.db2.gz XLGVFMYCTWACAQ-UHFFFAOYSA-N 2 1 264.417 2.021 20 30 CEEDMP C=CCCn1cc(C[N@@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])nn1 ZINC000662314877 415773471 /nfs/dbraw/zinc/77/34/71/415773471.db2.gz PZUOCUSBENPHNQ-GDBMZVCRSA-N 2 1 291.443 2.194 20 30 CEEDMP C=CC[C@@]1(C(=O)NCCC[N@@H+]2CCCC[C@H]2C)CCC[NH2+]1 ZINC000662668536 415926642 /nfs/dbraw/zinc/92/66/42/415926642.db2.gz OJJIYZJRMXDSAA-WBVHZDCISA-N 2 1 293.455 2.065 20 30 CEEDMP C[C@@H](CNC(=[NH2+])Nc1cc(F)ccc1F)[N@@H+](C)C1CC1 ZINC000288731341 263105812 /nfs/dbraw/zinc/10/58/12/263105812.db2.gz NRZPMBGATIYCPA-VIFPVBQESA-N 2 1 282.338 2.174 20 30 CEEDMP C=CCOc1ccc(C[NH2+][C@H](C)[C@H](C)[NH3+])cc1OC ZINC000415008046 263223962 /nfs/dbraw/zinc/22/39/62/263223962.db2.gz MEJLPXGVJAMBKL-NWDGAFQWSA-N 2 1 264.369 2.085 20 30 CEEDMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CC1(CC#N)CC1 ZINC000366761858 263390402 /nfs/dbraw/zinc/39/04/02/263390402.db2.gz VXQBCXUBQLJULI-OWCLPIDISA-N 2 1 291.439 2.159 20 30 CEEDMP CN(C)C(=[NH+]C[C@H]1CC[N@@H+](C)[C@@H]1c1cccs1)N(C)C ZINC000370163358 267296122 /nfs/dbraw/zinc/29/61/22/267296122.db2.gz SJLALFCEHXSQEL-OCCSQVGLSA-N 2 1 294.468 2.220 20 30 CEEDMP N#Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])CC2 ZINC000424378179 281153785 /nfs/dbraw/zinc/15/37/85/281153785.db2.gz SPHQGAHAHLRDJL-BZUAXINKSA-N 2 1 255.365 2.405 20 30 CEEDMP N#Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCc3[nH]cnc3C1)CC2 ZINC000570790835 314058490 /nfs/dbraw/zinc/05/84/90/314058490.db2.gz YCPYLMVEUJHCRV-ZFWWWQNUSA-N 2 1 278.359 2.416 20 30 CEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH+]C)N1CCc2ccccc21 ZINC000262944446 330037280 /nfs/dbraw/zinc/03/72/80/330037280.db2.gz AQBUWQPJSVIOTI-HNNXBMFYSA-N 2 1 286.423 2.109 20 30 CEEDMP C=CCc1cc(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc(OC)c1O ZINC000424367503 330348060 /nfs/dbraw/zinc/34/80/60/330348060.db2.gz MIVCQBWQRWCJCY-HUUCEWRRSA-N 2 1 290.407 2.489 20 30 CEEDMP Cn1ccnc1[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC000548497926 334160732 /nfs/dbraw/zinc/16/07/32/334160732.db2.gz DSNJATZULRJUES-HNNXBMFYSA-N 2 1 283.350 2.400 20 30 CEEDMP Cn1ccnc1[C@H]1CCN(CC#Cc2ccc(F)cc2)C1 ZINC000548497926 334160733 /nfs/dbraw/zinc/16/07/33/334160733.db2.gz DSNJATZULRJUES-HNNXBMFYSA-N 2 1 283.350 2.400 20 30 CEEDMP C[NH+](C)Cc1cccc(C[NH2+]C[C@@H](C#N)CCC#N)c1 ZINC000578640143 335657633 /nfs/dbraw/zinc/65/76/33/335657633.db2.gz OMHHAGSYELKDRJ-MRXNPFEDSA-N 2 1 270.380 2.281 20 30 CEEDMP N#Cc1cccc(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@H]3C2)c1 ZINC000369598999 526704930 /nfs/dbraw/zinc/70/49/30/526704930.db2.gz GKZUDFYOXOIQLS-SQNIBIBYSA-N 2 1 281.403 2.474 20 30 CEEDMP N#Cc1cccc(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@H]3C2)c1 ZINC000369598999 526704936 /nfs/dbraw/zinc/70/49/36/526704936.db2.gz GKZUDFYOXOIQLS-SQNIBIBYSA-N 2 1 281.403 2.474 20 30 CEEDMP N#Cc1cccc(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)c1 ZINC000369598999 526704939 /nfs/dbraw/zinc/70/49/39/526704939.db2.gz GKZUDFYOXOIQLS-SQNIBIBYSA-N 2 1 281.403 2.474 20 30 CEEDMP N#Cc1cccc(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)c1 ZINC000369598999 526704944 /nfs/dbraw/zinc/70/49/44/526704944.db2.gz GKZUDFYOXOIQLS-SQNIBIBYSA-N 2 1 281.403 2.474 20 30 CEEDMP C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352866493 526802176 /nfs/dbraw/zinc/80/21/76/526802176.db2.gz LTHGIPSDWMZBEM-WFASDCNBSA-N 2 1 295.452 2.276 20 30 CEEDMP C[N@H+]1C[C@@H]2C[NH+](CCCOc3cccc(C#N)c3)C[C@]2(C)C1 ZINC000933740712 623988648 /nfs/dbraw/zinc/98/86/48/623988648.db2.gz WUQIAPPXVWYQQK-AEFFLSMTSA-N 2 1 299.418 2.211 20 30 CEEDMP C[NH+]1C[C@@H]2C[N@H+](CCCOc3cccc(C#N)c3)C[C@]2(C)C1 ZINC000933740712 623988649 /nfs/dbraw/zinc/98/86/49/623988649.db2.gz WUQIAPPXVWYQQK-AEFFLSMTSA-N 2 1 299.418 2.211 20 30 CEEDMP C[NH+]1C[C@@H]2C[N@@H+](CCCOc3cccc(C#N)c3)C[C@]2(C)C1 ZINC000933740712 623988652 /nfs/dbraw/zinc/98/86/52/623988652.db2.gz WUQIAPPXVWYQQK-AEFFLSMTSA-N 2 1 299.418 2.211 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1C[C@@H](OCC(C)C)C1(C)C ZINC000328041714 627770101 /nfs/dbraw/zinc/77/01/01/627770101.db2.gz XOUQQGFWNPGRTB-JKSUJKDBSA-N 2 1 280.456 2.371 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1C[C@@H](OCC(C)C)C1(C)C ZINC000328041714 627770103 /nfs/dbraw/zinc/77/01/03/627770103.db2.gz XOUQQGFWNPGRTB-JKSUJKDBSA-N 2 1 280.456 2.371 20 30 CEEDMP Cc1cc(C)cc(NC(=[NH2+])NCC[N@H+](C)C(C)C)c1 ZINC000104191677 628733278 /nfs/dbraw/zinc/73/32/78/628733278.db2.gz CECPAJTUNPTEPZ-UHFFFAOYSA-N 2 1 262.401 2.370 20 30 CEEDMP CSc1ccc(C[NH2+]C2CC[NH2+]CC2)cc1C#N ZINC000925772417 628777852 /nfs/dbraw/zinc/77/78/52/628777852.db2.gz HSULDMZDAWFCAX-UHFFFAOYSA-N 2 1 261.394 2.122 20 30 CEEDMP N#Cc1ccc(F)c(C[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)c1 ZINC000925812504 628864716 /nfs/dbraw/zinc/86/47/16/628864716.db2.gz ICUOBRFKFMNQII-UONOGXRCSA-N 2 1 259.328 2.057 20 30 CEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH+]C)N1CC[C@@](C)(CC)C1 ZINC000261772226 629190140 /nfs/dbraw/zinc/19/01/40/629190140.db2.gz OFAUVVWYUOGVIM-GDBMZVCRSA-N 2 1 280.460 2.168 20 30 CEEDMP C[NH+]1CCC(C[N@H+]2Cc3ccc(C#N)cc3C2)CC1 ZINC000895215829 630037877 /nfs/dbraw/zinc/03/78/77/630037877.db2.gz QZDYKOFOOGQNJS-UHFFFAOYSA-N 2 1 255.365 2.216 20 30 CEEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001014632913 632639303 /nfs/dbraw/zinc/63/93/03/632639303.db2.gz RYUQQKJDFGJISE-JKSUJKDBSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001014632913 632639304 /nfs/dbraw/zinc/63/93/04/632639304.db2.gz RYUQQKJDFGJISE-JKSUJKDBSA-N 2 1 293.455 2.018 20 30 CEEDMP CC(=NNc1cc[nH+]cc1)c1ccc(C[NH+](C)C)cc1 ZINC000814899774 632919734 /nfs/dbraw/zinc/91/97/34/632919734.db2.gz MMMXCHKMUSGRNB-UHFFFAOYSA-N 2 1 268.364 2.401 20 30 CEEDMP COc1ccc(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])cc1C#N ZINC000817914896 633774696 /nfs/dbraw/zinc/77/46/96/633774696.db2.gz BPZIOXRMFNXQQA-GJZGRUSLSA-N 2 1 273.380 2.316 20 30 CEEDMP CC[C@H](C#N)Oc1cccc(C[NH2+][C@H]2CCC[C@@H]2[NH3+])c1 ZINC000817917470 633775655 /nfs/dbraw/zinc/77/56/55/633775655.db2.gz HAIGPDKMWRDHMX-KBMXLJTQSA-N 2 1 273.380 2.337 20 30 CEEDMP Cc1cc(C#N)cc(C)c1C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000903425282 635112496 /nfs/dbraw/zinc/11/24/96/635112496.db2.gz ZDYFRJDPDTVKBO-XJKSGUPXSA-N 2 1 257.381 2.344 20 30 CEEDMP Cc1cc(C#N)cc(C)c1C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000903452480 635135882 /nfs/dbraw/zinc/13/58/82/635135882.db2.gz NFQUYTCTGDPZRN-NVXWUHKLSA-N 2 1 269.392 2.359 20 30 CEEDMP Cc1cc(C#N)cc(C)c1C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000903452480 635135884 /nfs/dbraw/zinc/13/58/84/635135884.db2.gz NFQUYTCTGDPZRN-NVXWUHKLSA-N 2 1 269.392 2.359 20 30 CEEDMP C=CC[C@H]1CC[N@@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903769244 635259484 /nfs/dbraw/zinc/25/94/84/635259484.db2.gz AOXZSWUWIJCYSR-GJZGRUSLSA-N 2 1 264.413 2.043 20 30 CEEDMP C=CCc1cc(C[N@H+]2CC[C@@H](CC[NH3+])C2)cc(OC)c1O ZINC000904406338 635614036 /nfs/dbraw/zinc/61/40/36/635614036.db2.gz QHFCFOYVZDMRHJ-CYBMUJFWSA-N 2 1 290.407 2.300 20 30 CEEDMP C#Cc1ccc(C[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)cc1 ZINC000827857026 636443787 /nfs/dbraw/zinc/44/37/87/636443787.db2.gz WOAIAEGZZCWKJY-GOSISDBHSA-N 2 1 286.419 2.211 20 30 CEEDMP C#Cc1ccc(C[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)cc1 ZINC000827857026 636443792 /nfs/dbraw/zinc/44/37/92/636443792.db2.gz WOAIAEGZZCWKJY-GOSISDBHSA-N 2 1 286.419 2.211 20 30 CEEDMP C#C[C@H]1CCC[N@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000848923425 642195169 /nfs/dbraw/zinc/19/51/69/642195169.db2.gz DTARUAFFBNSANI-HNNXBMFYSA-N 2 1 280.375 2.421 20 30 CEEDMP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2csc(C#N)c2)C1 ZINC000922284640 642999734 /nfs/dbraw/zinc/99/97/34/642999734.db2.gz SCGYWNYAMILLPE-GFCCVEGCSA-N 2 1 263.410 2.441 20 30 CEEDMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2csc(C#N)c2)C1 ZINC000922284640 642999736 /nfs/dbraw/zinc/99/97/36/642999736.db2.gz SCGYWNYAMILLPE-GFCCVEGCSA-N 2 1 263.410 2.441 20 30 CEEDMP C#CCOCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000851793307 643164613 /nfs/dbraw/zinc/16/46/13/643164613.db2.gz UPQHFVASZBWXLQ-GOSISDBHSA-N 2 1 286.419 2.090 20 30 CEEDMP C#CCOCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000851793307 643164617 /nfs/dbraw/zinc/16/46/17/643164617.db2.gz UPQHFVASZBWXLQ-GOSISDBHSA-N 2 1 286.419 2.090 20 30 CEEDMP C#CCOCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000851793307 643164620 /nfs/dbraw/zinc/16/46/20/643164620.db2.gz UPQHFVASZBWXLQ-GOSISDBHSA-N 2 1 286.419 2.090 20 30 CEEDMP C=C(Cl)C[N@@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000852753168 643537758 /nfs/dbraw/zinc/53/77/58/643537758.db2.gz AGHKIHBCFXGDQQ-YNEHKIRRSA-N 2 1 258.793 2.100 20 30 CEEDMP N#Cc1ccc([C@H](O)C[N@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000923428246 643707495 /nfs/dbraw/zinc/70/74/95/643707495.db2.gz NZOQXPRJXQKEMN-MSOLQXFVSA-N 2 1 299.418 2.057 20 30 CEEDMP C#CCSCC[NH2+][C@H]1CC[N@H+](CCCOCC)C[C@H]1C ZINC000773009607 646695658 /nfs/dbraw/zinc/69/56/58/646695658.db2.gz CYWQZNXXGAQHMH-CVEARBPZSA-N 2 1 298.496 2.079 20 30 CEEDMP Cc1[nH+]ccn1CCC[NH2+]Cc1cc(C#N)ccc1N(C)C ZINC000865418615 647284400 /nfs/dbraw/zinc/28/44/00/647284400.db2.gz JKFUAHNPWCUVDI-UHFFFAOYSA-N 2 1 297.406 2.309 20 30 CEEDMP C=CCCCCC[C@H](C)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000793552693 648775790 /nfs/dbraw/zinc/77/57/90/648775790.db2.gz KTXKBINYBCEFGQ-GJZGRUSLSA-N 2 1 254.418 2.168 20 30 CEEDMP C=CCCCCC[C@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000793552693 648775793 /nfs/dbraw/zinc/77/57/93/648775793.db2.gz KTXKBINYBCEFGQ-GJZGRUSLSA-N 2 1 254.418 2.168 20 30 CEEDMP N#Cc1ccc(CC[N@H+]2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1 ZINC000872149777 649297462 /nfs/dbraw/zinc/29/74/62/649297462.db2.gz QGTLRLBOUHFCNH-UONOGXRCSA-N 2 1 297.324 2.170 20 30 CEEDMP N#Cc1ccc(CC[N@@H+]2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1 ZINC000872149777 649297467 /nfs/dbraw/zinc/29/74/67/649297467.db2.gz QGTLRLBOUHFCNH-UONOGXRCSA-N 2 1 297.324 2.170 20 30 CEEDMP CC(C)C[N@@H+](CCOCCC#N)CC1CC[NH+](C)CC1 ZINC000879703849 651341673 /nfs/dbraw/zinc/34/16/73/651341673.db2.gz ZJAMKIYFERQKDH-UHFFFAOYSA-N 2 1 281.444 2.216 20 30 CEEDMP C=CCC[C@@H]([NH2+]CCc1c[nH+]cn1C)[C@@H]1CCCO1 ZINC000883217112 652402963 /nfs/dbraw/zinc/40/29/63/652402963.db2.gz BTOANDZPUUXSNR-CABCVRRESA-N 2 1 263.385 2.066 20 30 CEEDMP C=CCCC[NH2+]CCCNC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001168029960 805822471 /nfs/dbraw/zinc/82/24/71/805822471.db2.gz LAFMPYSVLJZJHU-HZPDHXFCSA-N 2 1 293.455 2.065 20 30 CEEDMP C=CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001271261634 805904614 /nfs/dbraw/zinc/90/46/14/805904614.db2.gz OTDXDKYKEAASQB-JKSUJKDBSA-N 2 1 295.471 2.166 20 30 CEEDMP C=C(C)CC[N@@H+](CC)CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001266410920 802541867 /nfs/dbraw/zinc/54/18/67/802541867.db2.gz KQGWMGJLAOHCMC-HOTGVXAUSA-N 2 1 295.471 2.121 20 30 CEEDMP C=C(C)CC[NH+](CC)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001266410920 802541869 /nfs/dbraw/zinc/54/18/69/802541869.db2.gz KQGWMGJLAOHCMC-HOTGVXAUSA-N 2 1 295.471 2.121 20 30 CEEDMP C=C(C)CC[NH+](CC)CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001266410920 802541871 /nfs/dbraw/zinc/54/18/71/802541871.db2.gz KQGWMGJLAOHCMC-HOTGVXAUSA-N 2 1 295.471 2.121 20 30 CEEDMP C=C(C)CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001266895919 802975745 /nfs/dbraw/zinc/97/57/45/802975745.db2.gz UWVMCGPROSAZTA-HZPDHXFCSA-N 2 1 295.471 2.121 20 30 CEEDMP C=CCC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001027879738 804315283 /nfs/dbraw/zinc/31/52/83/804315283.db2.gz XCUFHXOPCWGEFK-JKSUJKDBSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001027879738 804315292 /nfs/dbraw/zinc/31/52/92/804315292.db2.gz XCUFHXOPCWGEFK-JKSUJKDBSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001027879738 804315301 /nfs/dbraw/zinc/31/53/01/804315301.db2.gz XCUFHXOPCWGEFK-JKSUJKDBSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CCCC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CCC)[C@@H](C)C1 ZINC001269980592 805300959 /nfs/dbraw/zinc/30/09/59/805300959.db2.gz HECFQRJVZYDBLC-JKSUJKDBSA-N 2 1 295.471 2.264 20 30 CEEDMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1c[nH]c2cc(C#N)ccc12 ZINC001205074902 807384020 /nfs/dbraw/zinc/38/40/20/807384020.db2.gz BRTVCUFRZUOVDO-FZMZJTMJSA-N 2 1 268.364 2.351 20 30 CEEDMP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1c[nH]c2cc(C#N)ccc12 ZINC001205074902 807384027 /nfs/dbraw/zinc/38/40/27/807384027.db2.gz BRTVCUFRZUOVDO-FZMZJTMJSA-N 2 1 268.364 2.351 20 30 CEEDMP N#Cc1cccc(CCC[N@@H+]2CCC[C@H]([NH3+])CC2)c1 ZINC001205093436 807568338 /nfs/dbraw/zinc/56/83/38/807568338.db2.gz ABKUPSDAZNRYFN-INIZCTEOSA-N 2 1 257.381 2.304 20 30 CEEDMP CCCCCCC[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127643552 808168698 /nfs/dbraw/zinc/16/86/98/808168698.db2.gz AHNQSJNGEAEYTL-HUUCEWRRSA-N 2 1 283.460 2.003 20 30 CEEDMP C=C(C)C[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001015791099 810354545 /nfs/dbraw/zinc/35/45/45/810354545.db2.gz ADVQSPZRBBTUDT-HZPDHXFCSA-N 2 1 293.455 2.016 20 30 CEEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001015791099 810354554 /nfs/dbraw/zinc/35/45/54/810354554.db2.gz ADVQSPZRBBTUDT-HZPDHXFCSA-N 2 1 293.455 2.016 20 30 CEEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001015791099 810354562 /nfs/dbraw/zinc/35/45/62/810354562.db2.gz ADVQSPZRBBTUDT-HZPDHXFCSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001015971603 810381485 /nfs/dbraw/zinc/38/14/85/810381485.db2.gz BUVHHSYOLZYUCD-HZPDHXFCSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001015971603 810381489 /nfs/dbraw/zinc/38/14/89/810381489.db2.gz BUVHHSYOLZYUCD-HZPDHXFCSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001015971603 810381496 /nfs/dbraw/zinc/38/14/96/810381496.db2.gz BUVHHSYOLZYUCD-HZPDHXFCSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCCC[C@H]([NH3+])C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC001121909582 815366206 /nfs/dbraw/zinc/36/62/06/815366206.db2.gz VUMGCJCLGWYGLQ-HOTGVXAUSA-N 2 1 295.471 2.441 20 30 CEEDMP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001085332032 810725384 /nfs/dbraw/zinc/72/53/84/810725384.db2.gz IPPUMUOWIKQVEE-ARFHVFGLSA-N 2 1 293.455 2.064 20 30 CEEDMP C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccn2c[nH+]cc2c1 ZINC001085699881 810882102 /nfs/dbraw/zinc/88/21/02/810882102.db2.gz YBZADPYWPJRSKT-HNNXBMFYSA-N 2 1 298.390 2.057 20 30 CEEDMP C=CCC[N@@H+]1CC[C@@](C)(NC(=O)c2cc3c[nH]ccc-3n2)C1 ZINC001046415787 811750504 /nfs/dbraw/zinc/75/05/04/811750504.db2.gz RWZZFFXSQFDHEY-QGZVFWFLSA-N 2 1 298.390 2.333 20 30 CEEDMP C=CCC[C@@H](C)[NH2+]CCNC(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001129423049 812493249 /nfs/dbraw/zinc/49/32/49/812493249.db2.gz OPERMETWIVNQIO-HZPDHXFCSA-N 2 1 295.471 2.310 20 30 CEEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)CC[C@@H]1C ZINC001132517635 812871511 /nfs/dbraw/zinc/87/15/11/812871511.db2.gz FWVSZCAKHSEIHR-HOTGVXAUSA-N 2 1 295.471 2.262 20 30 CEEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)CC[C@@H]1C ZINC001132517635 812871521 /nfs/dbraw/zinc/87/15/21/812871521.db2.gz FWVSZCAKHSEIHR-HOTGVXAUSA-N 2 1 295.471 2.262 20 30 CEEDMP C=C(C)C[NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001132790909 812946985 /nfs/dbraw/zinc/94/69/85/812946985.db2.gz MBBUUTFKOAKPLN-MRXNPFEDSA-N 2 1 293.455 2.065 20 30 CEEDMP C=CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001170742957 813243587 /nfs/dbraw/zinc/24/35/87/813243587.db2.gz OZNOWZFXAYCGKD-HOTGVXAUSA-N 2 1 295.471 2.310 20 30 CEEDMP C=CC[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001175272102 816166366 /nfs/dbraw/zinc/16/63/66/816166366.db2.gz HJBVWENGJPJKNP-OAHLLOKOSA-N 2 1 297.487 2.415 20 30 CEEDMP C=CCC[NH2+]CCCC[C@H](C)NC(=O)CC[N@H+](C)CC ZINC001176025116 816326808 /nfs/dbraw/zinc/32/68/08/816326808.db2.gz XZWZSVDPZKDOFA-HNNXBMFYSA-N 2 1 283.460 2.169 20 30 CEEDMP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)CC[N@H+](C)CC ZINC001176024128 816327338 /nfs/dbraw/zinc/32/73/38/816327338.db2.gz LREDMIOVVVKTLL-HNNXBMFYSA-N 2 1 283.460 2.169 20 30 CEEDMP C=CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001176759541 816473588 /nfs/dbraw/zinc/47/35/88/816473588.db2.gz JHVNIVFJIPILQQ-JKSUJKDBSA-N 2 1 295.471 2.311 20 30 CEEDMP C=CC[NH2+]CCCCCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001178521752 816758054 /nfs/dbraw/zinc/75/80/54/816758054.db2.gz CYSIPSXKKAMSQN-JKSUJKDBSA-N 2 1 295.471 2.169 20 30 CEEDMP C=CC[NH2+]CCCCCCNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001179590591 816881583 /nfs/dbraw/zinc/88/15/83/816881583.db2.gz JKOLLPQQCZAFJE-UHFFFAOYSA-N 2 1 295.471 2.171 20 30 CEEDMP C=C(C)[C@H](CO)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000677047888 539183149 /nfs/dbraw/zinc/18/31/49/539183149.db2.gz JAGQGRNBSDRMDD-ROUUACIJSA-N 2 1 288.435 2.377 20 30 CEEDMP C=C(C)[C@H](CO)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000677047888 539183151 /nfs/dbraw/zinc/18/31/51/539183151.db2.gz JAGQGRNBSDRMDD-ROUUACIJSA-N 2 1 288.435 2.377 20 30 CEEDMP C=C(C)[C@H](CO)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000677047888 539183153 /nfs/dbraw/zinc/18/31/53/539183153.db2.gz JAGQGRNBSDRMDD-ROUUACIJSA-N 2 1 288.435 2.377 20 30 CEEDMP CCNC(NCCC[N@H+]1CCc2ccccc2C1)=[NH+]CC ZINC000066243288 343709617 /nfs/dbraw/zinc/70/96/17/343709617.db2.gz ZORKRIIBURBNRK-UHFFFAOYSA-N 2 1 288.439 2.010 20 30 CEEDMP CC[C@H]1C[N@H+](Cc2ccc(C#N)c(OC)c2)CC[C@@H]1[NH3+] ZINC000234100214 344583815 /nfs/dbraw/zinc/58/38/15/344583815.db2.gz IEQNZTXKQCSHEQ-ZFWWWQNUSA-N 2 1 273.380 2.126 20 30 CEEDMP CC[C@H]1C[N@@H+](Cc2ccc(C#N)c(OC)c2)CC[C@@H]1[NH3+] ZINC000234100214 344583816 /nfs/dbraw/zinc/58/38/16/344583816.db2.gz IEQNZTXKQCSHEQ-ZFWWWQNUSA-N 2 1 273.380 2.126 20 30 CEEDMP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000602546020 347071844 /nfs/dbraw/zinc/07/18/44/347071844.db2.gz AVJJHJDRKNIBDY-GJZGRUSLSA-N 2 1 279.428 2.017 20 30 CEEDMP N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cc1 ZINC000593730197 345528658 /nfs/dbraw/zinc/52/86/58/345528658.db2.gz LPHUPMKAYWMLJI-KZNAEPCWSA-N 2 1 299.418 2.419 20 30 CEEDMP C=CCSCC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000594503326 345639603 /nfs/dbraw/zinc/63/96/03/345639603.db2.gz VNPDRTXYVLVFSL-HNNXBMFYSA-N 2 1 284.469 2.139 20 30 CEEDMP C[C@@H]1C[C@@H](C[N@H+]2Cc3ccc(C#N)cc3C2)CC[NH2+]1 ZINC000594581063 345650752 /nfs/dbraw/zinc/65/07/52/345650752.db2.gz JDJPCGDHZYTUPX-OCCSQVGLSA-N 2 1 255.365 2.262 20 30 CEEDMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCc2ccc(C#N)cc2)C1 ZINC000595340581 345765084 /nfs/dbraw/zinc/76/50/84/345765084.db2.gz CMFUBFXRYWDCBD-KRWDZBQOSA-N 2 1 271.408 2.374 20 30 CEEDMP CC[NH+](C)C[C@@H]1CC[N@H+](CCc2ccc(C#N)cc2)C1 ZINC000595340581 345765086 /nfs/dbraw/zinc/76/50/86/345765086.db2.gz CMFUBFXRYWDCBD-KRWDZBQOSA-N 2 1 271.408 2.374 20 30 CEEDMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCc2ccc(C#N)cc2)C1 ZINC000595340581 345765087 /nfs/dbraw/zinc/76/50/87/345765087.db2.gz CMFUBFXRYWDCBD-KRWDZBQOSA-N 2 1 271.408 2.374 20 30 CEEDMP CC(C)(C#N)CCCC[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000595864286 345901356 /nfs/dbraw/zinc/90/13/56/345901356.db2.gz RWTPHDRSRAYZJO-MRXNPFEDSA-N 2 1 293.455 2.237 20 30 CEEDMP CC(C)(C#N)CCCC[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000595864286 345901358 /nfs/dbraw/zinc/90/13/58/345901358.db2.gz RWTPHDRSRAYZJO-MRXNPFEDSA-N 2 1 293.455 2.237 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(-n2cccn2)cc1 ZINC000295011311 539498434 /nfs/dbraw/zinc/49/84/34/539498434.db2.gz MUGPHRYIKIFOKX-MRXNPFEDSA-N 2 1 296.418 2.478 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(-n2cccn2)cc1 ZINC000295011311 539498440 /nfs/dbraw/zinc/49/84/40/539498440.db2.gz MUGPHRYIKIFOKX-MRXNPFEDSA-N 2 1 296.418 2.478 20 30 CEEDMP N#Cc1ccccc1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000598680516 346400442 /nfs/dbraw/zinc/40/04/42/346400442.db2.gz ZHZDXJMTJFQJRD-RDJZCZTQSA-N 2 1 269.392 2.380 20 30 CEEDMP Cn1c[nH+]cc1CC[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000598917944 346433902 /nfs/dbraw/zinc/43/39/02/346433902.db2.gz MRTPYGGSPSOBDM-UHFFFAOYSA-N 2 1 298.390 2.435 20 30 CEEDMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)cc1C#N ZINC000599292944 346492490 /nfs/dbraw/zinc/49/24/90/346492490.db2.gz LMPACMDTAARNIA-HNNXBMFYSA-N 2 1 257.381 2.250 20 30 CEEDMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)cc1C#N ZINC000599292944 346492492 /nfs/dbraw/zinc/49/24/92/346492492.db2.gz LMPACMDTAARNIA-HNNXBMFYSA-N 2 1 257.381 2.250 20 30 CEEDMP C[C@H](CCC#N)C[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000602657897 347127673 /nfs/dbraw/zinc/12/76/73/347127673.db2.gz TZPUHUYHRVYZCC-NVXWUHKLSA-N 2 1 292.471 2.027 20 30 CEEDMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CC2(CC#N)CC2)C1 ZINC000602786850 347198243 /nfs/dbraw/zinc/19/82/43/347198243.db2.gz ZAODJSCOKFARTH-HNNXBMFYSA-N 2 1 261.413 2.344 20 30 CEEDMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CC2(CC#N)CC2)C1 ZINC000602786850 347198244 /nfs/dbraw/zinc/19/82/44/347198244.db2.gz ZAODJSCOKFARTH-HNNXBMFYSA-N 2 1 261.413 2.344 20 30 CEEDMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CC2(CC#N)CC2)C1 ZINC000602786850 347198246 /nfs/dbraw/zinc/19/82/46/347198246.db2.gz ZAODJSCOKFARTH-HNNXBMFYSA-N 2 1 261.413 2.344 20 30 CEEDMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CC2(CC#N)CC2)C1 ZINC000602786850 347198247 /nfs/dbraw/zinc/19/82/47/347198247.db2.gz ZAODJSCOKFARTH-HNNXBMFYSA-N 2 1 261.413 2.344 20 30 CEEDMP N#CCC1(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)CC1 ZINC000602850482 347224370 /nfs/dbraw/zinc/22/43/70/347224370.db2.gz WEEUTEQDLCQEBT-UHFFFAOYSA-N 2 1 270.380 2.288 20 30 CEEDMP N#CCCCOc1cccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000611287856 347763553 /nfs/dbraw/zinc/76/35/53/347763553.db2.gz ZEEMGDZCKFQUNA-HOTGVXAUSA-N 2 1 285.391 2.020 20 30 CEEDMP C=CC[C@@H]1CC[N@H+](CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000625704454 350551824 /nfs/dbraw/zinc/55/18/24/350551824.db2.gz XXLYOFXFVBGVND-QGZVFWFLSA-N 2 1 279.472 2.301 20 30 CEEDMP C=CCC[C@H](O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134870361 366367074 /nfs/dbraw/zinc/36/70/74/366367074.db2.gz RZSZVGMEQCRDBF-HYVNUMGLSA-N 2 1 278.440 2.262 20 30 CEEDMP C=C(C)C[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000154013684 366752820 /nfs/dbraw/zinc/75/28/20/366752820.db2.gz SZFFAIFRKVDZHR-IYBDPMFKSA-N 2 1 265.445 2.053 20 30 CEEDMP C#CCOc1ccccc1C[NH2+]CC(C)(C)C[NH+](C)C ZINC000020087853 361576965 /nfs/dbraw/zinc/57/69/65/361576965.db2.gz CLAAYUBLLDAYNH-UHFFFAOYSA-N 2 1 274.408 2.376 20 30 CEEDMP C=CCCC[C@@H](C)[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000678717359 541165948 /nfs/dbraw/zinc/16/59/48/541165948.db2.gz PFVQZCHXWXEYPS-SJORKVTESA-N 2 1 279.472 2.443 20 30 CEEDMP C[N@H+](Cc1cc(C#N)cs1)CC1CC[NH+](C)CC1 ZINC000093089274 364139752 /nfs/dbraw/zinc/13/97/52/364139752.db2.gz CEFLDAIDIJNDFB-UHFFFAOYSA-N 2 1 263.410 2.393 20 30 CEEDMP N#CCC[C@H](C#N)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000112559821 364816307 /nfs/dbraw/zinc/81/63/07/364816307.db2.gz MMUYOXWCDJIHNI-MRXNPFEDSA-N 2 1 274.412 2.238 20 30 CEEDMP C[NH+](C)CCOc1ccc(C[NH2+]Cc2ccc(C#N)o2)cc1 ZINC000174277224 368006281 /nfs/dbraw/zinc/00/62/81/368006281.db2.gz HEEHILBVWIADAZ-UHFFFAOYSA-N 2 1 299.374 2.381 20 30 CEEDMP C=C(CC)C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000358618907 371140716 /nfs/dbraw/zinc/14/07/16/371140716.db2.gz XZWUFVJDNZLMMN-RBSFLKMASA-N 2 1 252.402 2.136 20 30 CEEDMP CCC#C[C@@H](C)[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639701793 371507326 /nfs/dbraw/zinc/50/73/26/371507326.db2.gz AYXHWDUBFIVOHM-OAHLLOKOSA-N 2 1 257.381 2.396 20 30 CEEDMP C=C(C)CNC(=[NH2+])NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000264126937 371975783 /nfs/dbraw/zinc/97/57/83/371975783.db2.gz SLWIRNUPASBCDK-CYBMUJFWSA-N 2 1 292.452 2.365 20 30 CEEDMP CCc1cccc(NC(=[NH2+])NC[C@H](C)[N@@H+](C)C2CC2)c1 ZINC000264238262 371988026 /nfs/dbraw/zinc/98/80/26/371988026.db2.gz DQSFGHIHBBTODX-LBPRGKRZSA-N 2 1 274.412 2.458 20 30 CEEDMP Cc1[nH+]ccn1CC[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000270841202 372978421 /nfs/dbraw/zinc/97/84/21/372978421.db2.gz NRRZEIRBZHNVBD-UHFFFAOYSA-N 2 1 254.337 2.195 20 30 CEEDMP Cc1[nH+]ccn1CC[N@H+](C)Cc1ccc(C#N)cc1 ZINC000270841202 372978429 /nfs/dbraw/zinc/97/84/29/372978429.db2.gz NRRZEIRBZHNVBD-UHFFFAOYSA-N 2 1 254.337 2.195 20 30 CEEDMP C=CCCOCC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000367614754 373167451 /nfs/dbraw/zinc/16/74/51/373167451.db2.gz IFHVFCXADBWIRJ-RRFJBIMHSA-N 2 1 252.402 2.042 20 30 CEEDMP C=CC[N@@H+](CCN1CC[NH2+]CC1)Cc1ccc(Cl)s1 ZINC000420317808 376684658 /nfs/dbraw/zinc/68/46/58/376684658.db2.gz OBFMDQSZTCTBEU-UHFFFAOYSA-N 2 1 299.871 2.295 20 30 CEEDMP C=CC[N@H+](CCN1CC[NH2+]CC1)Cc1ccc(Cl)s1 ZINC000420317808 376684669 /nfs/dbraw/zinc/68/46/69/376684669.db2.gz OBFMDQSZTCTBEU-UHFFFAOYSA-N 2 1 299.871 2.295 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000295124471 378043147 /nfs/dbraw/zinc/04/31/47/378043147.db2.gz YZZWNFFAFMAOIP-MRXNPFEDSA-N 2 1 260.356 2.358 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000295124471 378043150 /nfs/dbraw/zinc/04/31/50/378043150.db2.gz YZZWNFFAFMAOIP-MRXNPFEDSA-N 2 1 260.356 2.358 20 30 CEEDMP CC[C@H](C)NC(=[NH2+])NC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000267451727 394679581 /nfs/dbraw/zinc/67/95/81/394679581.db2.gz RPPYWAHHEKSMTO-UONOGXRCSA-N 2 1 276.428 2.210 20 30 CEEDMP CC[C@H](C)NC(=[NH2+])NC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000267451727 394679583 /nfs/dbraw/zinc/67/95/83/394679583.db2.gz RPPYWAHHEKSMTO-UONOGXRCSA-N 2 1 276.428 2.210 20 30 CEEDMP C[NH+]=C(NCc1ccco1)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000103338095 394713994 /nfs/dbraw/zinc/71/39/94/394713994.db2.gz MWNDOUUAHSDEPL-CQSZACIVSA-N 2 1 292.427 2.065 20 30 CEEDMP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1ccc(C#N)c(F)c1 ZINC000423360828 394899893 /nfs/dbraw/zinc/89/98/93/394899893.db2.gz LQBCRPUSYUAFFS-BXUZGUMPSA-N 2 1 261.344 2.490 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](CC)[C@H]2CCOC2)CC1 ZINC000153023822 394999860 /nfs/dbraw/zinc/99/98/60/394999860.db2.gz WANKECMFOKHHNA-HOCLYGCPSA-N 2 1 266.429 2.432 20 30 CEEDMP C=CCOc1cccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1 ZINC000346859476 395111158 /nfs/dbraw/zinc/11/11/58/395111158.db2.gz SDVYOSFTACMICH-XIRDDKMYSA-N 2 1 272.392 2.421 20 30 CEEDMP C[C@H](CCC#N)[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000351274488 395198260 /nfs/dbraw/zinc/19/82/60/395198260.db2.gz ZHNHQDHEUBEREF-BRWVUGGUSA-N 2 1 292.471 2.169 20 30 CEEDMP C[N@@H+]1CCC[C@H]2C[NH+](CC#Cc3ccccc3)CC[C@@H]21 ZINC000192075601 395371808 /nfs/dbraw/zinc/37/18/08/395371808.db2.gz MKOYQNNHWYVIFO-ROUUACIJSA-N 2 1 268.404 2.454 20 30 CEEDMP C[N@H+]1CCC[C@H]2C[NH+](CC#Cc3ccccc3)CC[C@@H]21 ZINC000192075601 395371810 /nfs/dbraw/zinc/37/18/10/395371810.db2.gz MKOYQNNHWYVIFO-ROUUACIJSA-N 2 1 268.404 2.454 20 30 CEEDMP C[NH+]1CCC[C@H]2C[N@H+](CC#Cc3ccccc3)CC[C@@H]21 ZINC000192075601 395371812 /nfs/dbraw/zinc/37/18/12/395371812.db2.gz MKOYQNNHWYVIFO-ROUUACIJSA-N 2 1 268.404 2.454 20 30 CEEDMP C[NH+]1CCC[C@H]2C[N@@H+](CC#Cc3ccccc3)CC[C@@H]21 ZINC000192075601 395371815 /nfs/dbraw/zinc/37/18/15/395371815.db2.gz MKOYQNNHWYVIFO-ROUUACIJSA-N 2 1 268.404 2.454 20 30 CEEDMP CCCC[NH+]1CCC([NH2+]Cc2cc(C#N)n(C)c2)CC1 ZINC000189587193 153100439 /nfs/dbraw/zinc/10/04/39/153100439.db2.gz GBDUYRJWCUUACR-UHFFFAOYSA-N 2 1 274.412 2.251 20 30 CEEDMP C[N@H+]1CC[C@@]2(C1)CCCN(CC#Cc1ccccc1)C2 ZINC000660664754 414926294 /nfs/dbraw/zinc/92/62/94/414926294.db2.gz SLGFLSSGLXDIOJ-GOSISDBHSA-N 2 1 268.404 2.456 20 30 CEEDMP C=CC[C@@H]1CC[C@@H]([NH2+]C2(CCO)CC[NH+](C)CC2)C1 ZINC000655788416 415470757 /nfs/dbraw/zinc/47/07/57/415470757.db2.gz IQMVCAFOXRMUKK-HUUCEWRRSA-N 2 1 266.429 2.168 20 30 CEEDMP C=CC[C@H]1CCC[N@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000662299913 415762650 /nfs/dbraw/zinc/76/26/50/415762650.db2.gz ZLCPOHAALZGLMM-BZSNNMDCSA-N 2 1 288.435 2.205 20 30 CEEDMP N#Cc1cccc(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000076761958 177086376 /nfs/dbraw/zinc/08/63/76/177086376.db2.gz GNTMPGSBFYNJGO-QGZVFWFLSA-N 2 1 299.418 2.149 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)C(C)(C)OC)CC1 ZINC000340473312 263164907 /nfs/dbraw/zinc/16/49/07/263164907.db2.gz GYSWKOWUYUHEOY-CYBMUJFWSA-N 2 1 254.418 2.430 20 30 CEEDMP COCC1(C#N)CC[NH+](CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000341974237 263372936 /nfs/dbraw/zinc/37/29/36/263372936.db2.gz HWHHLSUXHZCJAH-OAHLLOKOSA-N 2 1 279.428 2.113 20 30 CEEDMP COCC1(C#N)CC[NH+](CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000341974237 263372938 /nfs/dbraw/zinc/37/29/38/263372938.db2.gz HWHHLSUXHZCJAH-OAHLLOKOSA-N 2 1 279.428 2.113 20 30 CEEDMP C[N@@H+](CCCSCC#N)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000367589116 267102588 /nfs/dbraw/zinc/10/25/88/267102588.db2.gz YLUHHMCBUNFVMX-PBWFPOADSA-N 2 1 267.442 2.190 20 30 CEEDMP C[NH+](CCCSCC#N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000367589116 267102590 /nfs/dbraw/zinc/10/25/90/267102590.db2.gz YLUHHMCBUNFVMX-PBWFPOADSA-N 2 1 267.442 2.190 20 30 CEEDMP C[NH+](CCCSCC#N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000367589116 267102592 /nfs/dbraw/zinc/10/25/92/267102592.db2.gz YLUHHMCBUNFVMX-PBWFPOADSA-N 2 1 267.442 2.190 20 30 CEEDMP CC#CC[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000177494413 329184838 /nfs/dbraw/zinc/18/48/38/329184838.db2.gz GTCGDGZORVURSX-IYBDPMFKSA-N 2 1 278.440 2.221 20 30 CEEDMP CN1CC[NH+]=C1NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000262673518 330025927 /nfs/dbraw/zinc/02/59/27/330025927.db2.gz SCOZYDHSHDBXFV-JSGCOSHPSA-N 2 1 292.452 2.022 20 30 CEEDMP C[C@]1(CNC(=[NH2+])N2CCC2)CCC[N@H+]1Cc1ccccc1 ZINC000263045898 330040613 /nfs/dbraw/zinc/04/06/13/330040613.db2.gz CWOMBDBXOYGJMT-QGZVFWFLSA-N 2 1 286.423 2.062 20 30 CEEDMP C=CC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC000968920436 613685601 /nfs/dbraw/zinc/68/56/01/613685601.db2.gz VEZIRGOVCIKAAK-HOTGVXAUSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000968920436 613685602 /nfs/dbraw/zinc/68/56/02/613685602.db2.gz VEZIRGOVCIKAAK-HOTGVXAUSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC000968920436 613685604 /nfs/dbraw/zinc/68/56/04/613685604.db2.gz VEZIRGOVCIKAAK-HOTGVXAUSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC000968920436 613685605 /nfs/dbraw/zinc/68/56/05/613685605.db2.gz VEZIRGOVCIKAAK-HOTGVXAUSA-N 2 1 293.455 2.018 20 30 CEEDMP COc1ccc(NC(=[NH2+])NC[C@@H]2CC[N@@H+](C)C2)cc1Cl ZINC000261998771 624199518 /nfs/dbraw/zinc/19/95/18/624199518.db2.gz OSOJAHXNCRACSZ-JTQLQIEISA-N 2 1 296.802 2.027 20 30 CEEDMP CC[C@@H](C)NC(=[NH2+])NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000157363652 624974039 /nfs/dbraw/zinc/97/40/39/624974039.db2.gz UYRLPKHGPYZABB-ZIAGYGMSSA-N 2 1 268.449 2.057 20 30 CEEDMP CCN(CC)C(=[NH2+])NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000157387564 624974609 /nfs/dbraw/zinc/97/46/09/624974609.db2.gz PPIMQJYSGILNSQ-AWEZNQCLSA-N 2 1 268.449 2.011 20 30 CEEDMP C[NH+]1CCC2(CC1)C[N@@H+](CC1CCC(C#N)CC1)CCO2 ZINC000930823906 628278692 /nfs/dbraw/zinc/27/86/92/628278692.db2.gz YJOBOLPJVRUKAC-UHFFFAOYSA-N 2 1 291.439 2.113 20 30 CEEDMP C=C(C)CN1CCC([NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CC1 ZINC000925608958 628291002 /nfs/dbraw/zinc/29/10/02/628291002.db2.gz MORWGXKLTAAMCO-IXDOHACOSA-N 2 1 291.483 2.393 20 30 CEEDMP N#Cc1ccc2c(c1)C[C@H]([NH2+][C@H]1CC[NH2+]C13CCCC3)C2 ZINC000925729858 628670179 /nfs/dbraw/zinc/67/01/79/628670179.db2.gz STDYEHOXLAJEQP-SJORKVTESA-N 2 1 281.403 2.290 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000894862495 629701875 /nfs/dbraw/zinc/70/18/75/629701875.db2.gz BUABDYZHVRBFGK-SJORKVTESA-N 2 1 256.393 2.335 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000894862495 629701878 /nfs/dbraw/zinc/70/18/78/629701878.db2.gz BUABDYZHVRBFGK-SJORKVTESA-N 2 1 256.393 2.335 20 30 CEEDMP C=C(C)C[N@H+](C)C1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC000985483240 631103265 /nfs/dbraw/zinc/10/32/65/631103265.db2.gz XAEBQSBUIGENHT-INIZCTEOSA-N 2 1 295.471 2.072 20 30 CEEDMP C#CCOc1ccc([C@H](C)[NH2+][C@H](C[NH3+])C2CC2)cc1 ZINC000817959754 633801968 /nfs/dbraw/zinc/80/19/68/633801968.db2.gz IGRFGBNTOSOXJA-BLLLJJGKSA-N 2 1 258.365 2.087 20 30 CEEDMP C=CCCCCC[N@H+](C)Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903894951 635331165 /nfs/dbraw/zinc/33/11/65/635331165.db2.gz IQPOCLYUXWLJJD-HNNXBMFYSA-N 2 1 291.443 2.381 20 30 CEEDMP C#C[C@@H]1CCC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000847036044 641540240 /nfs/dbraw/zinc/54/02/40/641540240.db2.gz OPJYLWGBMMOOGI-QGZVFWFLSA-N 2 1 298.430 2.364 20 30 CEEDMP C#C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000847036044 641540244 /nfs/dbraw/zinc/54/02/44/641540244.db2.gz OPJYLWGBMMOOGI-QGZVFWFLSA-N 2 1 298.430 2.364 20 30 CEEDMP C=CCNC(=[NH2+])NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000848981554 642204109 /nfs/dbraw/zinc/20/41/09/642204109.db2.gz TXXQRLKELCNZBU-LBPRGKRZSA-N 2 1 278.425 2.185 20 30 CEEDMP C=CC[NH+](CC=C)[C@H](CNC(NC1CC1)=[NH+]C)C(C)C ZINC000848991601 642211916 /nfs/dbraw/zinc/21/19/16/642211916.db2.gz SNVZBOJYQHPGLL-OAHLLOKOSA-N 2 1 278.444 2.012 20 30 CEEDMP C#Cc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000850396973 642700286 /nfs/dbraw/zinc/70/02/86/642700286.db2.gz RPMKSQDYSSMQTQ-GOSISDBHSA-N 2 1 284.403 2.011 20 30 CEEDMP C=C(C)CC[NH+]1CCC(NC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001003158957 642918945 /nfs/dbraw/zinc/91/89/45/642918945.db2.gz KPBSPXPRDGKDHM-MRXNPFEDSA-N 2 1 293.455 2.018 20 30 CEEDMP N#Cc1ccc([C@H](O)C[NH2+][C@H](C[NH3+])C2CCCCC2)cc1 ZINC000923374185 643683873 /nfs/dbraw/zinc/68/38/73/643683873.db2.gz RZAGKMATVYHNAU-IAGOWNOFSA-N 2 1 287.407 2.089 20 30 CEEDMP C#Cc1ccc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000839181402 644181624 /nfs/dbraw/zinc/18/16/24/644181624.db2.gz IABJASUUUAHAIO-QGZVFWFLSA-N 2 1 256.393 2.489 20 30 CEEDMP COc1ccc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cc1C#N ZINC000858246233 645097609 /nfs/dbraw/zinc/09/76/09/645097609.db2.gz YMMBLEQGALXLOE-HNNXBMFYSA-N 2 1 287.407 2.388 20 30 CEEDMP c1nncn1[NH+]=C1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000781115235 647500830 /nfs/dbraw/zinc/50/08/30/647500830.db2.gz KERHYSAQCUFJPD-HOTGVXAUSA-N 2 1 295.390 2.414 20 30 CEEDMP C#CCCCCC[NH+]1CCC(CO)([NH2+]C(C)C)CC1 ZINC000878668313 651159372 /nfs/dbraw/zinc/15/93/72/651159372.db2.gz RMOYXHWLBWBFES-UHFFFAOYSA-N 2 1 266.429 2.005 20 30 CEEDMP C[N@H+]1CC[C@@H]2C[NH+](CCc3ccc(C#N)cc3)CC[C@@H]21 ZINC000879579911 651326515 /nfs/dbraw/zinc/32/65/15/651326515.db2.gz QDCFMOCGXKXRDG-SJORKVTESA-N 2 1 269.392 2.127 20 30 CEEDMP C[NH+]1CC[C@@H]2C[N@H+](CCc3ccc(C#N)cc3)CC[C@@H]21 ZINC000879579911 651326516 /nfs/dbraw/zinc/32/65/16/651326516.db2.gz QDCFMOCGXKXRDG-SJORKVTESA-N 2 1 269.392 2.127 20 30 CEEDMP C[NH+]1CC[C@@H]2C[N@@H+](CCc3ccc(C#N)cc3)CC[C@@H]21 ZINC000879579911 651326518 /nfs/dbraw/zinc/32/65/18/651326518.db2.gz QDCFMOCGXKXRDG-SJORKVTESA-N 2 1 269.392 2.127 20 30 CEEDMP Cc1cc(C#N)ccc1C[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000879583746 651327471 /nfs/dbraw/zinc/32/74/71/651327471.db2.gz ZQGODRSLDFXQDI-SJORKVTESA-N 2 1 269.392 2.393 20 30 CEEDMP Cc1cc(C#N)ccc1C[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879583746 651327472 /nfs/dbraw/zinc/32/74/72/651327472.db2.gz ZQGODRSLDFXQDI-SJORKVTESA-N 2 1 269.392 2.393 20 30 CEEDMP Cc1cc(C#N)ccc1C[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879583746 651327474 /nfs/dbraw/zinc/32/74/74/651327474.db2.gz ZQGODRSLDFXQDI-SJORKVTESA-N 2 1 269.392 2.393 20 30 CEEDMP Cc1cc(C#N)ccc1C[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879583746 651327475 /nfs/dbraw/zinc/32/74/75/651327475.db2.gz ZQGODRSLDFXQDI-SJORKVTESA-N 2 1 269.392 2.393 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+]Cc1cccc(OCC=C)c1 ZINC000883131394 652372605 /nfs/dbraw/zinc/37/26/05/652372605.db2.gz ABLRKZKLABAZCY-UHFFFAOYSA-N 2 1 272.392 2.296 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1cccc(OCC=C)c1 ZINC000883131394 652372609 /nfs/dbraw/zinc/37/26/09/652372609.db2.gz ABLRKZKLABAZCY-UHFFFAOYSA-N 2 1 272.392 2.296 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000883131567 652372995 /nfs/dbraw/zinc/37/29/95/652372995.db2.gz ILGHJCOORJKITR-RMKNXTFCSA-N 2 1 287.363 2.153 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000883131567 652373000 /nfs/dbraw/zinc/37/30/00/652373000.db2.gz ILGHJCOORJKITR-RMKNXTFCSA-N 2 1 287.363 2.153 20 30 CEEDMP C=CCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001271075297 805734432 /nfs/dbraw/zinc/73/44/32/805734432.db2.gz LXGDBMLEUSTQFY-JKSUJKDBSA-N 2 1 295.471 2.121 20 30 CEEDMP C=CCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001271075292 805734567 /nfs/dbraw/zinc/73/45/67/805734567.db2.gz LXGDBMLEUSTQFY-HOTGVXAUSA-N 2 1 295.471 2.121 20 30 CEEDMP C=CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001283621961 803523671 /nfs/dbraw/zinc/52/36/71/803523671.db2.gz PPDSSIYHKRGVCO-HOCLYGCPSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CCC[N@H+]1CCC[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001028003722 804390343 /nfs/dbraw/zinc/39/03/43/804390343.db2.gz RLMIMEJCTLRYPI-HNNXBMFYSA-N 2 1 298.390 2.105 20 30 CEEDMP N#Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cn1 ZINC001167977893 805513422 /nfs/dbraw/zinc/51/34/22/805513422.db2.gz IJOYWQVBKXUEDH-AYHJJNSGSA-N 2 1 296.418 2.448 20 30 CEEDMP N#Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cn1 ZINC001167977893 805513427 /nfs/dbraw/zinc/51/34/27/805513427.db2.gz IJOYWQVBKXUEDH-AYHJJNSGSA-N 2 1 296.418 2.448 20 30 CEEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)[C@H]1C ZINC001089061129 807324964 /nfs/dbraw/zinc/32/49/64/807324964.db2.gz ZBFXCFYWJQTRHZ-OWCLPIDISA-N 2 1 293.455 2.016 20 30 CEEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)[C@H]1C ZINC001089061129 807324973 /nfs/dbraw/zinc/32/49/73/807324973.db2.gz ZBFXCFYWJQTRHZ-OWCLPIDISA-N 2 1 293.455 2.016 20 30 CEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)[C@H]1C ZINC001089061129 807324982 /nfs/dbraw/zinc/32/49/82/807324982.db2.gz ZBFXCFYWJQTRHZ-OWCLPIDISA-N 2 1 293.455 2.016 20 30 CEEDMP C=CCc1cccc(C[N@H+]2C[C@H]3CC[C@@]3([NH3+])C2)c1O ZINC001235982342 807905076 /nfs/dbraw/zinc/90/50/76/807905076.db2.gz VBHXLGXZMPGZQW-GDBMZVCRSA-N 2 1 258.365 2.044 20 30 CEEDMP C=CCc1cccc(C[N@@H+]2C[C@H]3CC[C@@]3([NH3+])C2)c1O ZINC001235982342 807905081 /nfs/dbraw/zinc/90/50/81/807905081.db2.gz VBHXLGXZMPGZQW-GDBMZVCRSA-N 2 1 258.365 2.044 20 30 CEEDMP C#CCC[NH2+]CCCC[C@H](C)NC(=O)C(C)(C)[N@H+](C)CC ZINC001171586789 815192441 /nfs/dbraw/zinc/19/24/41/815192441.db2.gz TTXKFXUVXMCCRP-HNNXBMFYSA-N 2 1 295.471 2.005 20 30 CEEDMP C=CCC[C@@H](C)[NH2+]CCCNC(=O)CC[N@H+](C)CCC ZINC001171724969 815217921 /nfs/dbraw/zinc/21/79/21/815217921.db2.gz APSZCCYTJKSBFH-OAHLLOKOSA-N 2 1 283.460 2.169 20 30 CEEDMP Cc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1C#N ZINC000709937871 809976225 /nfs/dbraw/zinc/97/62/25/809976225.db2.gz SRYYHAZFGANAHS-QGZVFWFLSA-N 2 1 269.392 2.442 20 30 CEEDMP Cc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1C#N ZINC000709937871 809976229 /nfs/dbraw/zinc/97/62/29/809976229.db2.gz SRYYHAZFGANAHS-QGZVFWFLSA-N 2 1 269.392 2.442 20 30 CEEDMP C=CCC[C@@H](C)[NH2+]CCCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001166744224 810479577 /nfs/dbraw/zinc/47/95/77/810479577.db2.gz MJLGSKIKESLVLM-OAHLLOKOSA-N 2 1 297.487 2.415 20 30 CEEDMP C=CCC[N@@H+]1CC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001038442869 810842559 /nfs/dbraw/zinc/84/25/59/810842559.db2.gz RSODKQKXATUVJG-AWEZNQCLSA-N 2 1 298.390 2.023 20 30 CEEDMP C=CCCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001169797299 811664576 /nfs/dbraw/zinc/66/45/76/811664576.db2.gz CZGZLIQQVCPUQI-JKSUJKDBSA-N 2 1 295.471 2.311 20 30 CEEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)C2 ZINC001109654019 811923841 /nfs/dbraw/zinc/92/38/41/811923841.db2.gz RMUPMORHLSINLU-PMPSAXMXSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[N@H+](C)CC)C2 ZINC001109932362 811971738 /nfs/dbraw/zinc/97/17/38/811971738.db2.gz IIDDOGIBQLYNGR-PMPSAXMXSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)CC)C2 ZINC001109932362 811971743 /nfs/dbraw/zinc/97/17/43/811971743.db2.gz IIDDOGIBQLYNGR-PMPSAXMXSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)CC)C2 ZINC001109932362 811971746 /nfs/dbraw/zinc/97/17/46/811971746.db2.gz IIDDOGIBQLYNGR-PMPSAXMXSA-N 2 1 293.455 2.016 20 30 CEEDMP C=C(C)CC[NH+]1CCN(C(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001113340847 812223508 /nfs/dbraw/zinc/22/35/08/812223508.db2.gz BWCIQARWHPVGGX-INIZCTEOSA-N 2 1 295.471 2.217 20 30 CEEDMP C=CCC[C@@H](C)[NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001157886479 812512511 /nfs/dbraw/zinc/51/25/11/812512511.db2.gz HWSDKCVDWJFFNI-HZPDHXFCSA-N 2 1 295.471 2.310 20 30 CEEDMP C=C(C)CC[NH2+]CCNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001131815550 812735653 /nfs/dbraw/zinc/73/56/53/812735653.db2.gz IPAPAKUXHREBPH-UHFFFAOYSA-N 2 1 295.471 2.313 20 30 CEEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)CC[C@@H]1C ZINC001132105836 812787580 /nfs/dbraw/zinc/78/75/80/812787580.db2.gz NOTSQATYSAYTHY-GJZGRUSLSA-N 2 1 293.455 2.016 20 30 CEEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)CC[C@@H]1C ZINC001132105836 812787582 /nfs/dbraw/zinc/78/75/82/812787582.db2.gz NOTSQATYSAYTHY-GJZGRUSLSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CC[N@H+](C)CC ZINC001135861232 813550883 /nfs/dbraw/zinc/55/08/83/813550883.db2.gz OHJZSWANLAHGOW-HUUCEWRRSA-N 2 1 283.460 2.167 20 30 CEEDMP C=CCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001170864029 813562845 /nfs/dbraw/zinc/56/28/45/813562845.db2.gz ZPKQTRFIXAPVKD-ARFHVFGLSA-N 2 1 295.471 2.167 20 30 CEEDMP C=C(C)CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@H+](C)CCC ZINC001135979038 813578095 /nfs/dbraw/zinc/57/80/95/813578095.db2.gz BFTPWIBGTRERDW-LSDHHAIUSA-N 2 1 283.460 2.167 20 30 CEEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)[C@H]1C ZINC001074693851 813843390 /nfs/dbraw/zinc/84/33/90/813843390.db2.gz XBHVSUJBZJWBEI-XHSDSOJGSA-N 2 1 293.455 2.016 20 30 CEEDMP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001171261701 814243610 /nfs/dbraw/zinc/24/36/10/814243610.db2.gz YVYQYRYYGVHJQA-HNNXBMFYSA-N 2 1 295.471 2.311 20 30 CEEDMP C=CC[N@H+](C)Cc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC001140304696 816227207 /nfs/dbraw/zinc/22/72/07/816227207.db2.gz YQFHRCHHFVNPMO-UHFFFAOYSA-N 2 1 273.424 2.446 20 30 CEEDMP C=C(C)C[NH2+]CCCCCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001178518619 816758297 /nfs/dbraw/zinc/75/82/97/816758297.db2.gz SNECMUQDPRPOGM-HZPDHXFCSA-N 2 1 295.471 2.169 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000295011082 539273213 /nfs/dbraw/zinc/27/32/13/539273213.db2.gz MSDQBVPDNWFQJQ-CQSZACIVSA-N 2 1 255.365 2.164 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000295011082 539273214 /nfs/dbraw/zinc/27/32/14/539273214.db2.gz MSDQBVPDNWFQJQ-CQSZACIVSA-N 2 1 255.365 2.164 20 30 CEEDMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000333281206 539322854 /nfs/dbraw/zinc/32/28/54/539322854.db2.gz MLRNCKFXOTVOAL-KSSFIOAISA-N 2 1 298.434 2.257 20 30 CEEDMP N#Cc1ccccc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228545561 344560734 /nfs/dbraw/zinc/56/07/34/344560734.db2.gz WLUUGQCIVYFAQZ-ARFHVFGLSA-N 2 1 255.365 2.117 20 30 CEEDMP C=CCC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000285410876 344678559 /nfs/dbraw/zinc/67/85/59/344678559.db2.gz BJZJUEPAKWALAF-IBGZPJMESA-N 2 1 299.462 2.455 20 30 CEEDMP CN(C)c1cc[nH+]cc1C[NH2+]CCc1ccc(C#N)cc1 ZINC000594954126 345715334 /nfs/dbraw/zinc/71/53/34/345715334.db2.gz BWUACUKFIAJLLE-UHFFFAOYSA-N 2 1 280.375 2.352 20 30 CEEDMP N#Cc1ccc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000594956618 345715702 /nfs/dbraw/zinc/71/57/02/345715702.db2.gz XGCZGDXJTUSLIL-IRXDYDNUSA-N 2 1 269.392 2.317 20 30 CEEDMP C[C@@H]([NH2+]CCc1ccc(C#N)cc1)[C@@H]1CCCC[NH2+]1 ZINC000596650969 346072339 /nfs/dbraw/zinc/07/23/39/346072339.db2.gz MQHPMFHASOOXKW-CJNGLKHVSA-N 2 1 257.381 2.221 20 30 CEEDMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC000598994834 346443574 /nfs/dbraw/zinc/44/35/74/346443574.db2.gz UAFYNPOBAKRRIM-INIZCTEOSA-N 2 1 257.381 2.380 20 30 CEEDMP N#Cc1ccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)o1 ZINC000600768936 346686195 /nfs/dbraw/zinc/68/61/95/346686195.db2.gz IGBLMMSILPWSBN-DOMZBBRYSA-N 2 1 259.353 2.115 20 30 CEEDMP N#Cc1ccc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)o1 ZINC000600768936 346686197 /nfs/dbraw/zinc/68/61/97/346686197.db2.gz IGBLMMSILPWSBN-DOMZBBRYSA-N 2 1 259.353 2.115 20 30 CEEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000602687112 347147472 /nfs/dbraw/zinc/14/74/72/347147472.db2.gz ILARXYQSRAJLLQ-HZPDHXFCSA-N 2 1 293.455 2.407 20 30 CEEDMP C[NH+]1CCC2(CC[N@@H+](CCOc3ccc(C#N)cc3)C2)CC1 ZINC000602876105 347235055 /nfs/dbraw/zinc/23/50/55/347235055.db2.gz DRBKHUOCHRUKJP-UHFFFAOYSA-N 2 1 299.418 2.355 20 30 CEEDMP C=CCC1(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)CCC1 ZINC000617506954 348718979 /nfs/dbraw/zinc/71/89/79/348718979.db2.gz DHWOMMYUXWPNMH-HNNXBMFYSA-N 2 1 295.471 2.121 20 30 CEEDMP C=CCC1(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)CCC1 ZINC000617506954 348718981 /nfs/dbraw/zinc/71/89/81/348718981.db2.gz DHWOMMYUXWPNMH-HNNXBMFYSA-N 2 1 295.471 2.121 20 30 CEEDMP COc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc1C#N ZINC000090720329 180030523 /nfs/dbraw/zinc/03/05/23/180030523.db2.gz MRWLGXDIOUAIIX-WFASDCNBSA-N 2 1 273.380 2.139 20 30 CEEDMP COc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1C#N ZINC000090720329 180030525 /nfs/dbraw/zinc/03/05/25/180030525.db2.gz MRWLGXDIOUAIIX-WFASDCNBSA-N 2 1 273.380 2.139 20 30 CEEDMP C[C@@H]1C[C@@H]([NH+](C)CCOc2cccc(C#N)c2)CC[N@@H+]1C ZINC000123417072 187090765 /nfs/dbraw/zinc/09/07/65/187090765.db2.gz CNVSSZBWFWJHOW-ZBFHGGJFSA-N 2 1 287.407 2.352 20 30 CEEDMP C[C@@H]1C[C@@H]([NH+](C)CCOc2cccc(C#N)c2)CC[N@H+]1C ZINC000123417072 187090766 /nfs/dbraw/zinc/09/07/66/187090766.db2.gz CNVSSZBWFWJHOW-ZBFHGGJFSA-N 2 1 287.407 2.352 20 30 CEEDMP C[C@@H]1C[C@@H]([N@H+](C)CCOc2cccc(C#N)c2)CC[NH+]1C ZINC000123417072 187090767 /nfs/dbraw/zinc/09/07/67/187090767.db2.gz CNVSSZBWFWJHOW-ZBFHGGJFSA-N 2 1 287.407 2.352 20 30 CEEDMP C[C@@H]1C[C@@H]([N@@H+](C)CCOc2cccc(C#N)c2)CC[NH+]1C ZINC000123417072 187090768 /nfs/dbraw/zinc/09/07/68/187090768.db2.gz CNVSSZBWFWJHOW-ZBFHGGJFSA-N 2 1 287.407 2.352 20 30 CEEDMP C[C@@H]1C[C@H]([NH+](C)CCOc2cccc(C#N)c2)CC[N@@H+]1C ZINC000123416641 187090793 /nfs/dbraw/zinc/09/07/93/187090793.db2.gz CNVSSZBWFWJHOW-GDBMZVCRSA-N 2 1 287.407 2.352 20 30 CEEDMP C[C@@H]1C[C@H]([NH+](C)CCOc2cccc(C#N)c2)CC[N@H+]1C ZINC000123416641 187090794 /nfs/dbraw/zinc/09/07/94/187090794.db2.gz CNVSSZBWFWJHOW-GDBMZVCRSA-N 2 1 287.407 2.352 20 30 CEEDMP C[C@@H]1C[C@H]([N@H+](C)CCOc2cccc(C#N)c2)CC[NH+]1C ZINC000123416641 187090795 /nfs/dbraw/zinc/09/07/95/187090795.db2.gz CNVSSZBWFWJHOW-GDBMZVCRSA-N 2 1 287.407 2.352 20 30 CEEDMP C[C@@H]1C[C@H]([N@@H+](C)CCOc2cccc(C#N)c2)CC[NH+]1C ZINC000123416641 187090796 /nfs/dbraw/zinc/09/07/96/187090796.db2.gz CNVSSZBWFWJHOW-GDBMZVCRSA-N 2 1 287.407 2.352 20 30 CEEDMP FC(F)[C@@H]1CC[NH+](CC#CC[N@@H+]2CC[C@H](C(F)F)C2)C1 ZINC000671242497 540024991 /nfs/dbraw/zinc/02/49/91/540024991.db2.gz DLFITQXATVUPRG-TXEJJXNPSA-N 2 1 292.320 2.164 20 30 CEEDMP FC(F)[C@@H]1CC[N@@H+](CC#CC[NH+]2CC[C@H](C(F)F)C2)C1 ZINC000671242497 540024994 /nfs/dbraw/zinc/02/49/94/540024994.db2.gz DLFITQXATVUPRG-TXEJJXNPSA-N 2 1 292.320 2.164 20 30 CEEDMP FC(F)[C@@H]1CC[N@H+](CC#CC[NH+]2CC[C@H](C(F)F)C2)C1 ZINC000671242497 540024998 /nfs/dbraw/zinc/02/49/98/540024998.db2.gz DLFITQXATVUPRG-TXEJJXNPSA-N 2 1 292.320 2.164 20 30 CEEDMP COc1ccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1C#N ZINC000087823734 363870545 /nfs/dbraw/zinc/87/05/45/363870545.db2.gz NBWHTKTYMCJVKP-CQSZACIVSA-N 2 1 285.391 2.141 20 30 CEEDMP CC[NH+](CC)CCC[NH2+]Cc1ccc(OC)c(C#N)c1 ZINC000087822367 363870857 /nfs/dbraw/zinc/87/08/57/363870857.db2.gz HLMPDVNEARTAJU-UHFFFAOYSA-N 2 1 275.396 2.388 20 30 CEEDMP C#CCOc1ccccc1C[NH+]1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000093770473 364225157 /nfs/dbraw/zinc/22/51/57/364225157.db2.gz ATOXFXVAPOEFGF-INIZCTEOSA-N 2 1 286.419 2.472 20 30 CEEDMP C#CCOc1ccccc1C[NH+]1CC[C@@H](C[N@H+](C)CC)C1 ZINC000093770473 364225158 /nfs/dbraw/zinc/22/51/58/364225158.db2.gz ATOXFXVAPOEFGF-INIZCTEOSA-N 2 1 286.419 2.472 20 30 CEEDMP C#CCOc1ccccc1C[N@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000093770473 364225159 /nfs/dbraw/zinc/22/51/59/364225159.db2.gz ATOXFXVAPOEFGF-INIZCTEOSA-N 2 1 286.419 2.472 20 30 CEEDMP C#CCOc1ccccc1C[N@@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000093770473 364225160 /nfs/dbraw/zinc/22/51/60/364225160.db2.gz ATOXFXVAPOEFGF-INIZCTEOSA-N 2 1 286.419 2.472 20 30 CEEDMP C[NH+](C)CCC1CC[NH+](C[C@@H](C#N)CCC#N)CC1 ZINC000112559883 364816164 /nfs/dbraw/zinc/81/61/64/364816164.db2.gz UKMWITZCCXEWFN-OAHLLOKOSA-N 2 1 262.401 2.094 20 30 CEEDMP N#CCC[C@@H](C#N)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000112559819 364816848 /nfs/dbraw/zinc/81/68/48/364816848.db2.gz MMUYOXWCDJIHNI-INIZCTEOSA-N 2 1 274.412 2.238 20 30 CEEDMP Cc1[nH+]ccn1CCCC[NH2+]Cc1ccc(C#N)o1 ZINC000174453498 368024913 /nfs/dbraw/zinc/02/49/13/368024913.db2.gz CIALRDMHRBWOFD-UHFFFAOYSA-N 2 1 258.325 2.226 20 30 CEEDMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2cc(C#N)n(C)c2)C1 ZINC000190772399 369651107 /nfs/dbraw/zinc/65/11/07/369651107.db2.gz SDCZTPYRGNUVMO-HNNXBMFYSA-N 2 1 288.439 2.498 20 30 CEEDMP COc1cc(CNCCC[N@@H+](C)C(C)C)ccc1C#N ZINC000226393385 370339830 /nfs/dbraw/zinc/33/98/30/370339830.db2.gz OCRKZGSUXGEMQE-UHFFFAOYSA-N 2 1 275.396 2.387 20 30 CEEDMP COc1cc(C[NH2+]CCC[N@H+](C)C(C)C)ccc1C#N ZINC000226393385 370339836 /nfs/dbraw/zinc/33/98/36/370339836.db2.gz OCRKZGSUXGEMQE-UHFFFAOYSA-N 2 1 275.396 2.387 20 30 CEEDMP COc1cc(C[NH2+]CCC[N@@H+](C)C(C)C)ccc1C#N ZINC000226393385 370339841 /nfs/dbraw/zinc/33/98/41/370339841.db2.gz OCRKZGSUXGEMQE-UHFFFAOYSA-N 2 1 275.396 2.387 20 30 CEEDMP COc1cc(C[NH2+]CC(C)(C)C[NH+](C)C)ccc1C#N ZINC000234832924 370543855 /nfs/dbraw/zinc/54/38/55/370543855.db2.gz IPRGDIRMMRSKPU-UHFFFAOYSA-N 2 1 275.396 2.244 20 30 CEEDMP COc1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1C#N ZINC000234990026 370554209 /nfs/dbraw/zinc/55/42/09/370554209.db2.gz NTRTWYDLBGDEQP-XYPWUTKMSA-N 2 1 285.391 2.282 20 30 CEEDMP COc1cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1C#N ZINC000234990026 370554214 /nfs/dbraw/zinc/55/42/14/370554214.db2.gz NTRTWYDLBGDEQP-XYPWUTKMSA-N 2 1 285.391 2.282 20 30 CEEDMP N#CCC[C@H](C#N)CN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246824476 371016331 /nfs/dbraw/zinc/01/63/31/371016331.db2.gz NWRFMOJZAQQRIN-VYDXJSESSA-N 2 1 286.423 2.379 20 30 CEEDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000248767632 371244137 /nfs/dbraw/zinc/24/41/37/371244137.db2.gz HATABNJNSMDAJC-BPLDGKMQSA-N 2 1 260.385 2.500 20 30 CEEDMP CC[C@H](C)NC(=[NH2+])NC[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000264117673 371972336 /nfs/dbraw/zinc/97/23/36/371972336.db2.gz TWFOQFIWBBUNAZ-KBPBESRZSA-N 2 1 288.439 2.136 20 30 CEEDMP CC[C@H](C)NC(=[NH2+])NC[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000264117673 371972350 /nfs/dbraw/zinc/97/23/50/371972350.db2.gz TWFOQFIWBBUNAZ-KBPBESRZSA-N 2 1 288.439 2.136 20 30 CEEDMP CCCNC(=[NH2+])NC[C@@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000264326113 371993135 /nfs/dbraw/zinc/99/31/35/371993135.db2.gz YUYLIYSBARQPSW-ZDUSSCGKSA-N 2 1 278.400 2.039 20 30 CEEDMP C=CCCC[C@@H](C)n1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC000641234893 372402240 /nfs/dbraw/zinc/40/22/40/372402240.db2.gz WIZFECVYKKKHGC-CQSZACIVSA-N 2 1 291.443 2.161 20 30 CEEDMP C=CC[C@H](CO)[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274815421 374058537 /nfs/dbraw/zinc/05/85/37/374058537.db2.gz ZADKOZRGKZTCSQ-CGTJXYLNSA-N 2 1 288.435 2.424 20 30 CEEDMP C=CC[C@H](CO)[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274815420 374059017 /nfs/dbraw/zinc/05/90/17/374059017.db2.gz ZADKOZRGKZTCSQ-BPQIPLTHSA-N 2 1 288.435 2.424 20 30 CEEDMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000399020105 375354445 /nfs/dbraw/zinc/35/44/45/375354445.db2.gz DSDPURPWPGVSAR-XJKSGUPXSA-N 2 1 257.381 2.182 20 30 CEEDMP C=CCn1c(C)cc(C(=O)C[NH+]2CCC(C[NH3+])CC2)c1C ZINC000420280626 376681956 /nfs/dbraw/zinc/68/19/56/376681956.db2.gz YQRLOUVEVSYJIB-UHFFFAOYSA-N 2 1 289.423 2.144 20 30 CEEDMP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCc2[nH]cnc2C1 ZINC000328954060 376927523 /nfs/dbraw/zinc/92/75/23/376927523.db2.gz OJQNDZBUCKPNAP-SWLSCSKDSA-N 2 1 290.411 2.486 20 30 CEEDMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCc2[nH]cnc2C1 ZINC000328954060 376927527 /nfs/dbraw/zinc/92/75/27/376927527.db2.gz OJQNDZBUCKPNAP-SWLSCSKDSA-N 2 1 290.411 2.486 20 30 CEEDMP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccc(C#N)cc1F ZINC000423206067 377122176 /nfs/dbraw/zinc/12/21/76/377122176.db2.gz FRWIUQMNRQMHPW-WCQYABFASA-N 2 1 261.344 2.348 20 30 CEEDMP CCN(C)C[C@@H](O)C[N@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000563628944 377267714 /nfs/dbraw/zinc/26/77/14/377267714.db2.gz DUMXKSMHGNRXEG-QGZVFWFLSA-N 2 1 289.423 2.081 20 30 CEEDMP CCN(C)C[C@@H](O)C[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000563628944 377267718 /nfs/dbraw/zinc/26/77/18/377267718.db2.gz DUMXKSMHGNRXEG-QGZVFWFLSA-N 2 1 289.423 2.081 20 30 CEEDMP C=CCC[N@H+](Cc1nccn1CC)[C@@H]1CC12CC[NH2+]CC2 ZINC000435681092 377808543 /nfs/dbraw/zinc/80/85/43/377808543.db2.gz HGRMWQBJPLQICH-OAHLLOKOSA-N 2 1 288.439 2.423 20 30 CEEDMP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000436289867 377822335 /nfs/dbraw/zinc/82/23/35/377822335.db2.gz IKPZYESMSCNASW-RBZJEDDUSA-N 2 1 266.429 2.286 20 30 CEEDMP C#CCOc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000294954318 378031741 /nfs/dbraw/zinc/03/17/41/378031741.db2.gz HUXNCIVZZABDHD-ALOPSCKCSA-N 2 1 284.403 2.413 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000294871900 378025111 /nfs/dbraw/zinc/02/51/11/378025111.db2.gz CTFMQKTUWAAVFQ-MRXNPFEDSA-N 2 1 260.356 2.358 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000294871900 378025115 /nfs/dbraw/zinc/02/51/15/378025115.db2.gz CTFMQKTUWAAVFQ-MRXNPFEDSA-N 2 1 260.356 2.358 20 30 CEEDMP Cc1nccn1C[C@H]1CCC[N@H+]1CC1(C#N)CCC1 ZINC000450467689 378434118 /nfs/dbraw/zinc/43/41/18/378434118.db2.gz DTRMUCBZOGZGIV-CQSZACIVSA-N 2 1 258.369 2.350 20 30 CEEDMP COc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1C#N ZINC000300196419 379155295 /nfs/dbraw/zinc/15/52/95/379155295.db2.gz INHKMSVTZSJYFS-CVEARBPZSA-N 2 1 285.391 2.283 20 30 CEEDMP COc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)ccc1C#N ZINC000300196419 379155300 /nfs/dbraw/zinc/15/53/00/379155300.db2.gz INHKMSVTZSJYFS-CVEARBPZSA-N 2 1 285.391 2.283 20 30 CEEDMP CNC(NC[C@@H]1CC[N@@H+](C)[C@H]1c1cccc(Cl)c1)=[NH+]C ZINC000363585594 394880911 /nfs/dbraw/zinc/88/09/11/394880911.db2.gz JQDHGNIEFZQZSV-JSGCOSHPSA-N 2 1 294.830 2.128 20 30 CEEDMP C=CCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000339657732 394966506 /nfs/dbraw/zinc/96/65/06/394966506.db2.gz DAGLIAUCGSTJCM-YIONKMFJSA-N 2 1 252.402 2.136 20 30 CEEDMP C=CCC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2CCOC ZINC000339657732 394966507 /nfs/dbraw/zinc/96/65/07/394966507.db2.gz DAGLIAUCGSTJCM-YIONKMFJSA-N 2 1 252.402 2.136 20 30 CEEDMP C=CCC[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2CCOC ZINC000339657732 394966511 /nfs/dbraw/zinc/96/65/11/394966511.db2.gz DAGLIAUCGSTJCM-YIONKMFJSA-N 2 1 252.402 2.136 20 30 CEEDMP C=CCCCCC[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000373277870 395057594 /nfs/dbraw/zinc/05/75/94/395057594.db2.gz JFPDDPBRGIRCPI-KRWDZBQOSA-N 2 1 279.472 2.445 20 30 CEEDMP C#CCOc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000290377276 395100600 /nfs/dbraw/zinc/10/06/00/395100600.db2.gz HWERWMHLWYMXPW-YJBOKZPZSA-N 2 1 286.419 2.471 20 30 CEEDMP C#CCOc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000290377276 395100603 /nfs/dbraw/zinc/10/06/03/395100603.db2.gz HWERWMHLWYMXPW-YJBOKZPZSA-N 2 1 286.419 2.471 20 30 CEEDMP C#CCOc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)cc1 ZINC000290377276 395100607 /nfs/dbraw/zinc/10/06/07/395100607.db2.gz HWERWMHLWYMXPW-YJBOKZPZSA-N 2 1 286.419 2.471 20 30 CEEDMP C#CCOc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)cc1 ZINC000290377276 395100610 /nfs/dbraw/zinc/10/06/10/395100610.db2.gz HWERWMHLWYMXPW-YJBOKZPZSA-N 2 1 286.419 2.471 20 30 CEEDMP C=C[C@@H](CO)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000289939039 395091668 /nfs/dbraw/zinc/09/16/68/395091668.db2.gz VXCRFZFEYWZEMS-DOMZBBRYSA-N 2 1 271.364 2.378 20 30 CEEDMP C=C[C@H](CO)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000289939056 395091871 /nfs/dbraw/zinc/09/18/71/395091871.db2.gz VXCRFZFEYWZEMS-SWLSCSKDSA-N 2 1 271.364 2.378 20 30 CEEDMP C=CCOc1cccc(C[N@H+]2CC[C@@H](C[NH2+]C)C2)c1 ZINC000347013357 395117506 /nfs/dbraw/zinc/11/75/06/395117506.db2.gz IAEDEEMSMSMSET-HNNXBMFYSA-N 2 1 260.381 2.293 20 30 CEEDMP C=CCOc1cccc(C[N@@H+]2CC[C@@H](C[NH2+]C)C2)c1 ZINC000347013357 395117507 /nfs/dbraw/zinc/11/75/07/395117507.db2.gz IAEDEEMSMSMSET-HNNXBMFYSA-N 2 1 260.381 2.293 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(NC(C)=O)cc1 ZINC000294878826 395280610 /nfs/dbraw/zinc/28/06/10/395280610.db2.gz DFKYCRYKQWDXTG-AWEZNQCLSA-N 2 1 287.407 2.251 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(NC(C)=O)cc1 ZINC000294878826 395280613 /nfs/dbraw/zinc/28/06/13/395280613.db2.gz DFKYCRYKQWDXTG-AWEZNQCLSA-N 2 1 287.407 2.251 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccccc1N(C)C ZINC000295064822 395284582 /nfs/dbraw/zinc/28/45/82/395284582.db2.gz RMYWZOROEJXRCQ-HNNXBMFYSA-N 2 1 273.424 2.358 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccccc1N(C)C ZINC000295064822 395284585 /nfs/dbraw/zinc/28/45/85/395284585.db2.gz RMYWZOROEJXRCQ-HNNXBMFYSA-N 2 1 273.424 2.358 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000491698438 395670371 /nfs/dbraw/zinc/67/03/71/395670371.db2.gz BCWBLOCGRLRTFX-QGZVFWFLSA-N 2 1 267.376 2.090 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000491698438 395670372 /nfs/dbraw/zinc/67/03/72/395670372.db2.gz BCWBLOCGRLRTFX-QGZVFWFLSA-N 2 1 267.376 2.090 20 30 CEEDMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cccc(C#N)c2)C1 ZINC000040621181 174354712 /nfs/dbraw/zinc/35/47/12/174354712.db2.gz CEBLELLRJQCOFD-MRXNPFEDSA-N 2 1 257.381 2.378 20 30 CEEDMP C=CC[C@]1(C(=O)NCC[N@@H+]2CCCC[C@H]2CC)CCC[NH2+]1 ZINC000662735363 415949141 /nfs/dbraw/zinc/94/91/41/415949141.db2.gz NBTYQYRKVFEHJF-NVXWUHKLSA-N 2 1 293.455 2.065 20 30 CEEDMP C=CC[C@]1(C(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)CCC[NH2+]1 ZINC000662746287 415950981 /nfs/dbraw/zinc/95/09/81/415950981.db2.gz RXNFBTZCOUFVPE-DOTOQJQBSA-N 2 1 293.455 2.018 20 30 CEEDMP CCCCNC(=[NH2+])NC[C@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000264164720 262882056 /nfs/dbraw/zinc/88/20/56/262882056.db2.gz BWLXUVNEWOOBER-CQSZACIVSA-N 2 1 292.427 2.429 20 30 CEEDMP C=CCSCC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000367601598 267103547 /nfs/dbraw/zinc/10/35/47/267103547.db2.gz OPXITYIETQCMKH-BFHYXJOUSA-N 2 1 254.443 2.368 20 30 CEEDMP C[C@@H](CC[NH+]=C(N(C)C)N(C)C)[N@@H+](C)Cc1ccccc1 ZINC000266997078 328171308 /nfs/dbraw/zinc/17/13/08/328171308.db2.gz YBQMDKNATQJWID-HNNXBMFYSA-N 2 1 290.455 2.376 20 30 CEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH+]C)N1CCc2ccccc21 ZINC000262944451 330037298 /nfs/dbraw/zinc/03/72/98/330037298.db2.gz AQBUWQPJSVIOTI-OAHLLOKOSA-N 2 1 286.423 2.109 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)Cc1ccsc1 ZINC000491452094 332213978 /nfs/dbraw/zinc/21/39/78/332213978.db2.gz JIVURXDTZZCDDY-CYBMUJFWSA-N 2 1 250.411 2.224 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)Cc1ccsc1 ZINC000491452094 332213979 /nfs/dbraw/zinc/21/39/79/332213979.db2.gz JIVURXDTZZCDDY-CYBMUJFWSA-N 2 1 250.411 2.224 20 30 CEEDMP C#CC[N@H+](C)CCCNC(=[NH2+])Nc1cccc(CC)c1 ZINC000491782920 332346574 /nfs/dbraw/zinc/34/65/74/332346574.db2.gz OKOOWVIFXFFYOP-UHFFFAOYSA-N 2 1 272.396 2.140 20 30 CEEDMP C#CCOc1ccc(C[NH2+]CCCn2cc[nH+]c2C)cc1 ZINC000733324831 574663858 /nfs/dbraw/zinc/66/38/58/574663858.db2.gz FKBSTGBEYJLCSY-UHFFFAOYSA-N 2 1 283.375 2.383 20 30 CEEDMP C=CC[NH2+]C1CCC(N(C)C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC000963912584 613859265 /nfs/dbraw/zinc/85/92/65/613859265.db2.gz MWSVKUAJIMQCGN-QQFBHYJXSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CCN1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CC1 ZINC000820809666 634535406 /nfs/dbraw/zinc/53/54/06/634535406.db2.gz GBCOMVCYPBSRQC-ZNXRZULTSA-N 2 1 289.467 2.384 20 30 CEEDMP C=CC[NH+]1CCC(NC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CC1 ZINC000820809666 634535410 /nfs/dbraw/zinc/53/54/10/634535410.db2.gz GBCOMVCYPBSRQC-ZNXRZULTSA-N 3 1 289.467 2.384 20 30 CEEDMP C=CC[NH+]1CCC(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CC1 ZINC000820809666 634535416 /nfs/dbraw/zinc/53/54/16/634535416.db2.gz GBCOMVCYPBSRQC-ZNXRZULTSA-N 3 1 289.467 2.384 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+]Cc1ccnc2ccccc12 ZINC000328208444 627867510 /nfs/dbraw/zinc/86/75/10/627867510.db2.gz VRQQGGMCESDSMG-UHFFFAOYSA-N 2 1 267.376 2.280 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1ccnc2ccccc12 ZINC000328208444 627867512 /nfs/dbraw/zinc/86/75/12/627867512.db2.gz VRQQGGMCESDSMG-UHFFFAOYSA-N 2 1 267.376 2.280 20 30 CEEDMP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925705651 628551196 /nfs/dbraw/zinc/55/11/96/628551196.db2.gz LUYWXPCOUGMKFG-SYAUCNOPSA-N 2 1 260.381 2.256 20 30 CEEDMP C[C@H]1CCCC[N@H+]1CCCCNC(=[NH2+])N1CCSCC1 ZINC000303907222 631093661 /nfs/dbraw/zinc/09/36/61/631093661.db2.gz WSNJXOCGYXOOCZ-AWEZNQCLSA-N 2 1 298.500 2.005 20 30 CEEDMP C[NH+]1CCC(C[N@@H+]2CCO[C@@H](c3ccc(C#N)cc3)C2)CC1 ZINC000897595721 631806986 /nfs/dbraw/zinc/80/69/86/631806986.db2.gz GPRKOODPFJIGOM-GOSISDBHSA-N 2 1 299.418 2.273 20 30 CEEDMP C[NH+]1CCC(C[N@H+]2CCO[C@@H](c3ccc(C#N)cc3)C2)CC1 ZINC000897595721 631806991 /nfs/dbraw/zinc/80/69/91/631806991.db2.gz GPRKOODPFJIGOM-GOSISDBHSA-N 2 1 299.418 2.273 20 30 CEEDMP C#Cc1ccc(C[N@@H+](C)CC2CC[NH+](C)CC2)cc1 ZINC000809565806 632100772 /nfs/dbraw/zinc/10/07/72/632100772.db2.gz AUAVJLSWOQPSJX-UHFFFAOYSA-N 2 1 256.393 2.442 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(C)nc1C ZINC000815651805 633043941 /nfs/dbraw/zinc/04/39/41/633043941.db2.gz DOSXSNQPAOIFKI-AWEZNQCLSA-N 2 1 259.397 2.304 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(C)nc1C ZINC000815651805 633043946 /nfs/dbraw/zinc/04/39/46/633043946.db2.gz DOSXSNQPAOIFKI-AWEZNQCLSA-N 2 1 259.397 2.304 20 30 CEEDMP N#CCOc1ccc(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000817918657 633776946 /nfs/dbraw/zinc/77/69/46/633776946.db2.gz MAWYIVVZLUHUPO-HOTGVXAUSA-N 2 1 273.380 2.339 20 30 CEEDMP CC(C)[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000817958069 633801379 /nfs/dbraw/zinc/80/13/79/633801379.db2.gz GWYBYQXJSWNNNY-WFASDCNBSA-N 2 1 261.369 2.223 20 30 CEEDMP C#CCSCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903120761 634980518 /nfs/dbraw/zinc/98/05/18/634980518.db2.gz OOIIMMZWMNYWCP-LQDVMPOASA-N 2 1 264.438 2.100 20 30 CEEDMP Cc1cc(C#N)cc(C)c1C[NH2+][C@](C)(C[NH3+])C1CC1 ZINC000903427105 635112684 /nfs/dbraw/zinc/11/26/84/635112684.db2.gz SWCHCWLHJGFNPA-MRXNPFEDSA-N 2 1 257.381 2.392 20 30 CEEDMP Cc1cc(C#N)cc(C)c1C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000903425280 635112995 /nfs/dbraw/zinc/11/29/95/635112995.db2.gz ZDYFRJDPDTVKBO-CJNGLKHVSA-N 2 1 257.381 2.344 20 30 CEEDMP Cc1cc(C#N)cc(C)c1C[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000903461079 635125880 /nfs/dbraw/zinc/12/58/80/635125880.db2.gz OLMTWPWOQFICQP-ZFWWWQNUSA-N 2 1 257.381 2.487 20 30 CEEDMP N#CC1CCC(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)CC1 ZINC000903452663 635136806 /nfs/dbraw/zinc/13/68/06/635136806.db2.gz PTCBOTSOQCEDFD-UYSNPLJNSA-N 2 1 261.413 2.392 20 30 CEEDMP N#CC1CCC(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000903453911 635136820 /nfs/dbraw/zinc/13/68/20/635136820.db2.gz PEISFWAXVZJYBA-GPANFISMSA-N 2 1 261.413 2.392 20 30 CEEDMP C=CCCCCC[N@H+](C)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903734577 635250509 /nfs/dbraw/zinc/25/05/09/635250509.db2.gz SAKBRTMTGCEWHM-HOTGVXAUSA-N 2 1 266.429 2.433 20 30 CEEDMP C=CCC[C@H](O)C[N@@H+]1CCCC[C@H]1C1(C[NH3+])CCC1 ZINC000903810495 635285407 /nfs/dbraw/zinc/28/54/07/635285407.db2.gz CGJLWYICHZRHDD-GJZGRUSLSA-N 2 1 266.429 2.297 20 30 CEEDMP N#Cc1ccc([C@H]2C[N@@H+](CCC3CC[NH2+]CC3)CCO2)cc1 ZINC000903823067 635291267 /nfs/dbraw/zinc/29/12/67/635291267.db2.gz CEKKDUKUIMNCJT-GOSISDBHSA-N 2 1 299.418 2.321 20 30 CEEDMP C=CCC[C@H](C)[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903975287 635393923 /nfs/dbraw/zinc/39/39/23/635393923.db2.gz ZGLOESJFUWMDHA-UONOGXRCSA-N 2 1 252.402 2.089 20 30 CEEDMP CCCC[NH+]=C(NC[C@@H](C)[NH+](C)C)NC(C)(C)C ZINC000912496712 638702485 /nfs/dbraw/zinc/70/24/85/638702485.db2.gz DJYXSKKQTMORAA-GFCCVEGCSA-N 2 1 256.438 2.070 20 30 CEEDMP CC(C)[N@H+]1CC[C@H](CNC(NC(C)(C)C)=[NH+]C2CC2)C1 ZINC000912506393 638712005 /nfs/dbraw/zinc/71/20/05/638712005.db2.gz NODCEJSWCYJVJU-CYBMUJFWSA-N 2 1 280.460 2.213 20 30 CEEDMP CCC[NH+]=C(NC[C@H]1CC[N@H+](C(C)C)C1)NC(C)(C)C ZINC000912509671 638714038 /nfs/dbraw/zinc/71/40/38/638714038.db2.gz OGJCUJQHSAXNFF-CQSZACIVSA-N 2 1 282.476 2.460 20 30 CEEDMP N#CCC[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000914796058 640470661 /nfs/dbraw/zinc/47/06/61/640470661.db2.gz LDUSIOZYOXMEFL-UHFFFAOYSA-N 2 1 273.380 2.164 20 30 CEEDMP C=CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@H]1C ZINC000993609409 640658449 /nfs/dbraw/zinc/65/84/49/640658449.db2.gz BNQFRWYMNCPQDP-CZUORRHYSA-N 2 1 298.390 2.103 20 30 CEEDMP [NH2+]=C(NC[C@H]1CCC[N@H+]1CC1CCCCC1)NC1CC1 ZINC000068041925 641370942 /nfs/dbraw/zinc/37/09/42/641370942.db2.gz CGYQLCHYVQXYRW-OAHLLOKOSA-N 2 1 278.444 2.098 20 30 CEEDMP C(C[NH+]1CCCCC1)NN=C1CCC[N@H+]2CCCC[C@H]12 ZINC000848402814 641979038 /nfs/dbraw/zinc/97/90/38/641979038.db2.gz IEWDFVGJKBLHHC-MRXNPFEDSA-N 2 1 278.444 2.066 20 30 CEEDMP CC(C)NC(=[NH2+])NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000083052651 642042173 /nfs/dbraw/zinc/04/21/73/642042173.db2.gz GBTQOLAVASQBLR-AWEZNQCLSA-N 2 1 276.428 2.210 20 30 CEEDMP C=CC[NH+]1CCC(NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001003011665 642891155 /nfs/dbraw/zinc/89/11/55/642891155.db2.gz PSRLYBCJUACLAK-MRXNPFEDSA-N 2 1 293.455 2.016 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCC[C@H](SC)C1 ZINC000922147273 642905750 /nfs/dbraw/zinc/90/57/50/642905750.db2.gz QDJFHNQAWPIPSO-KBPBESRZSA-N 2 1 254.443 2.205 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCC[C@H](SC)C1 ZINC000922147273 642905754 /nfs/dbraw/zinc/90/57/54/642905754.db2.gz QDJFHNQAWPIPSO-KBPBESRZSA-N 2 1 254.443 2.205 20 30 CEEDMP C#CCCCCCC[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000877639799 650829425 /nfs/dbraw/zinc/82/94/25/650829425.db2.gz GAWOCOVWPMQQRX-QGZVFWFLSA-N 2 1 278.440 2.101 20 30 CEEDMP C=CC[N@@H+](Cc1ccccc1F)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923309398 643657527 /nfs/dbraw/zinc/65/75/27/643657527.db2.gz LIPVFDJQAOCPLR-HNNXBMFYSA-N 2 1 290.382 2.192 20 30 CEEDMP C=CC[N@H+](Cc1ccccc1F)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923309398 643657530 /nfs/dbraw/zinc/65/75/30/643657530.db2.gz LIPVFDJQAOCPLR-HNNXBMFYSA-N 2 1 290.382 2.192 20 30 CEEDMP C#CC[N@H+](C)CCCNc1[nH+]ccc2c(N)cccc21 ZINC000853646834 643845397 /nfs/dbraw/zinc/84/53/97/643845397.db2.gz BKXXBDZHEKOFHV-UHFFFAOYSA-N 2 1 268.364 2.184 20 30 CEEDMP C#CC[N@@H+](C)CCCNc1[nH+]ccc2c(N)cccc21 ZINC000853646834 643845400 /nfs/dbraw/zinc/84/54/00/643845400.db2.gz BKXXBDZHEKOFHV-UHFFFAOYSA-N 2 1 268.364 2.184 20 30 CEEDMP C#CCOc1ccc(C[NH+]2CC[C@@H]3[C@H](CC[N@H+]3C)C2)cc1 ZINC000877742858 650888110 /nfs/dbraw/zinc/88/81/10/650888110.db2.gz GRJHGMDAYONSHY-SJLPKXTDSA-N 2 1 284.403 2.225 20 30 CEEDMP C#CCOc1ccc(C[NH+]2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)cc1 ZINC000877742858 650888113 /nfs/dbraw/zinc/88/81/13/650888113.db2.gz GRJHGMDAYONSHY-SJLPKXTDSA-N 2 1 284.403 2.225 20 30 CEEDMP C#CCOc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)cc1 ZINC000877742858 650888115 /nfs/dbraw/zinc/88/81/15/650888115.db2.gz GRJHGMDAYONSHY-SJLPKXTDSA-N 2 1 284.403 2.225 20 30 CEEDMP C#CCOc1ccc(C[N@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)cc1 ZINC000877742858 650888117 /nfs/dbraw/zinc/88/81/17/650888117.db2.gz GRJHGMDAYONSHY-SJLPKXTDSA-N 2 1 284.403 2.225 20 30 CEEDMP C#CC[C@@H]1CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000862444525 646462484 /nfs/dbraw/zinc/46/24/84/646462484.db2.gz BKHFILKVYMWXPE-QGZVFWFLSA-N 2 1 297.446 2.284 20 30 CEEDMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(C#N)ccc2N(C)C)C1 ZINC000865417264 647284141 /nfs/dbraw/zinc/28/41/41/647284141.db2.gz DWMVDLKTYLACJP-HNNXBMFYSA-N 2 1 286.423 2.056 20 30 CEEDMP CN(C)c1ccc(C#N)cc1CNC[C@@H]1CCC[N@@H+](C)C1 ZINC000865455755 647302098 /nfs/dbraw/zinc/30/20/98/647302098.db2.gz FOAKKUVNKXZEGH-HNNXBMFYSA-N 2 1 286.423 2.056 20 30 CEEDMP CN(C)c1ccc(C#N)cc1C[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000865455755 647302101 /nfs/dbraw/zinc/30/21/01/647302101.db2.gz FOAKKUVNKXZEGH-HNNXBMFYSA-N 2 1 286.423 2.056 20 30 CEEDMP N#Cc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CC[N@H+]3CCC[C@H]3C1)C2 ZINC000865847923 647491929 /nfs/dbraw/zinc/49/19/29/647491929.db2.gz PSSRNYGUVAQELA-KURKYZTESA-N 2 1 281.403 2.242 20 30 CEEDMP CN(C)c1cc[nH+]cc1C[NH2+][C@@H]1Cc2ccc(C#N)cc2C1 ZINC000865848480 647492288 /nfs/dbraw/zinc/49/22/88/647492288.db2.gz OBQVTAGRYWEHBH-QGZVFWFLSA-N 2 1 292.386 2.276 20 30 CEEDMP CN(C)c1cc[nH+]cc1C[NH2+][C@H]1Cc2ccc(C#N)cc2C1 ZINC000865848477 647492323 /nfs/dbraw/zinc/49/23/23/647492323.db2.gz OBQVTAGRYWEHBH-KRWDZBQOSA-N 2 1 292.386 2.276 20 30 CEEDMP C[C@@H]([NH2+][C@@H]1Cc2ccc(C#N)cc2C1)c1c[nH+]ccc1N ZINC000873275643 649621271 /nfs/dbraw/zinc/62/12/71/649621271.db2.gz MTAZSJVAFMRLTD-IAQYHMDHSA-N 2 1 278.359 2.184 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+]Cc1c[nH]nc1-c1ccsc1 ZINC000883131379 652372740 /nfs/dbraw/zinc/37/27/40/652372740.db2.gz ZMHUKASPXKJAPL-UHFFFAOYSA-N 2 1 288.420 2.183 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1c[nH]nc1-c1ccsc1 ZINC000883131379 652372741 /nfs/dbraw/zinc/37/27/41/652372741.db2.gz ZMHUKASPXKJAPL-UHFFFAOYSA-N 2 1 288.420 2.183 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1cc(OC)c(OC)cc1C ZINC000883131361 652372969 /nfs/dbraw/zinc/37/29/69/652372969.db2.gz YANSNCSWMLURFI-UHFFFAOYSA-N 2 1 290.407 2.057 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+]Cc1cc(OC)c(OC)cc1C ZINC000883131361 652372973 /nfs/dbraw/zinc/37/29/73/652372973.db2.gz YANSNCSWMLURFI-UHFFFAOYSA-N 2 1 290.407 2.057 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+]Cc1cc(C)c(C)cc1O ZINC000883131259 652373079 /nfs/dbraw/zinc/37/30/79/652373079.db2.gz SBZAPEMZRJEGGO-UHFFFAOYSA-N 2 1 260.381 2.054 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1cc(C)c(C)cc1O ZINC000883131259 652373080 /nfs/dbraw/zinc/37/30/80/652373080.db2.gz SBZAPEMZRJEGGO-UHFFFAOYSA-N 2 1 260.381 2.054 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000883131914 652373309 /nfs/dbraw/zinc/37/33/09/652373309.db2.gz YQHMYIXQHHNBKG-UHFFFAOYSA-N 2 1 298.434 2.081 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000883131914 652373313 /nfs/dbraw/zinc/37/33/13/652373313.db2.gz YQHMYIXQHHNBKG-UHFFFAOYSA-N 2 1 298.434 2.081 20 30 CEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC1(CC(C)C)CC1 ZINC000134035848 652759290 /nfs/dbraw/zinc/75/92/90/652759290.db2.gz VSDFDTGGLCMPPX-AWEZNQCLSA-N 2 1 280.460 2.201 20 30 CEEDMP C=CCCC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CCC)C[C@H]1C ZINC001271447508 805959848 /nfs/dbraw/zinc/95/98/48/805959848.db2.gz KXALJUWZFIZHLB-HZPDHXFCSA-N 2 1 295.471 2.121 20 30 CEEDMP C=CCCC[NH2+]C1CC(CNC(=O)CC[N@H+](C)CCC)C1 ZINC001100899866 806317275 /nfs/dbraw/zinc/31/72/75/806317275.db2.gz FWYGTUBKPNPCMT-UHFFFAOYSA-N 2 1 295.471 2.169 20 30 CEEDMP C=C(C)C[N@H+](C)CCNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001266362840 802490724 /nfs/dbraw/zinc/49/07/24/802490724.db2.gz WTHAVVYEIOMSHU-MRXNPFEDSA-N 2 1 295.471 2.121 20 30 CEEDMP C=C(C)C[NH+](CCNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)C1CC1 ZINC001266621416 802789774 /nfs/dbraw/zinc/78/97/74/802789774.db2.gz DLWHKNZDIDCCMR-GASCZTMLSA-N 2 1 293.455 2.016 20 30 CEEDMP C=C(C)C[N@@H+](CCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C)C1CC1 ZINC001266621416 802789776 /nfs/dbraw/zinc/78/97/76/802789776.db2.gz DLWHKNZDIDCCMR-GASCZTMLSA-N 2 1 293.455 2.016 20 30 CEEDMP C=C(C)C[N@H+](CCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C)C1CC1 ZINC001266621416 802789780 /nfs/dbraw/zinc/78/97/80/802789780.db2.gz DLWHKNZDIDCCMR-GASCZTMLSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CCCCCC[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001127066275 807002471 /nfs/dbraw/zinc/00/24/71/807002471.db2.gz KUSAGJCBANNKCU-INIZCTEOSA-N 2 1 295.471 2.311 20 30 CEEDMP C=CCCC[NH2+]CCCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001167636315 803225235 /nfs/dbraw/zinc/22/52/35/803225235.db2.gz RXSCTPCAPLHQMN-INIZCTEOSA-N 2 1 295.471 2.311 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000721527308 803309298 /nfs/dbraw/zinc/30/92/98/803309298.db2.gz GELBOEAECLWELO-HUUCEWRRSA-N 2 1 266.429 2.125 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000721527308 803309301 /nfs/dbraw/zinc/30/93/01/803309301.db2.gz GELBOEAECLWELO-HUUCEWRRSA-N 2 1 266.429 2.125 20 30 CEEDMP CCCCCCC[NH+]1CC(NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001267659730 803646892 /nfs/dbraw/zinc/64/68/92/803646892.db2.gz CAUVBQJYVVTRFV-HNNXBMFYSA-N 2 1 295.471 2.099 20 30 CEEDMP CCCCCCC[NH+]1CC(NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001267659730 803646896 /nfs/dbraw/zinc/64/68/96/803646896.db2.gz CAUVBQJYVVTRFV-HNNXBMFYSA-N 2 1 295.471 2.099 20 30 CEEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CCC)C[C@H]1CC ZINC001269184001 805072495 /nfs/dbraw/zinc/07/24/95/805072495.db2.gz XGCUXIKAIIVLRC-CVEARBPZSA-N 2 1 295.471 2.121 20 30 CEEDMP C=CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)[C@H]1C ZINC001088897536 807265962 /nfs/dbraw/zinc/26/59/62/807265962.db2.gz NAYIQSKLCCBXHI-OWCLPIDISA-N 2 1 293.455 2.014 20 30 CEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)[C@H]1C ZINC001088897536 807265971 /nfs/dbraw/zinc/26/59/71/807265971.db2.gz NAYIQSKLCCBXHI-OWCLPIDISA-N 2 1 293.455 2.014 20 30 CEEDMP C=C(C)C[NH+]1CC[C@@](C)(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001046316305 807545436 /nfs/dbraw/zinc/54/54/36/807545436.db2.gz NUJSRVBHDNPDAK-NVXWUHKLSA-N 2 1 293.455 2.016 20 30 CEEDMP C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001046316305 807545439 /nfs/dbraw/zinc/54/54/39/807545439.db2.gz NUJSRVBHDNPDAK-NVXWUHKLSA-N 2 1 293.455 2.016 20 30 CEEDMP C=C(C)C[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001046316305 807545442 /nfs/dbraw/zinc/54/54/42/807545442.db2.gz NUJSRVBHDNPDAK-NVXWUHKLSA-N 2 1 293.455 2.016 20 30 CEEDMP CCCCCCC[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC001171583811 815192834 /nfs/dbraw/zinc/19/28/34/815192834.db2.gz RAARAYARWBXGAJ-HNNXBMFYSA-N 2 1 256.434 2.345 20 30 CEEDMP C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001033899490 809446901 /nfs/dbraw/zinc/44/69/01/809446901.db2.gz ZLMZVKHPMKNVBN-MRXNPFEDSA-N 2 1 298.390 2.057 20 30 CEEDMP C=CC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001034241294 809561571 /nfs/dbraw/zinc/56/15/71/809561571.db2.gz XKGVWXAONMIXSB-HOTGVXAUSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001034241294 809561574 /nfs/dbraw/zinc/56/15/74/809561574.db2.gz XKGVWXAONMIXSB-HOTGVXAUSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001034241294 809561578 /nfs/dbraw/zinc/56/15/78/809561578.db2.gz XKGVWXAONMIXSB-HOTGVXAUSA-N 2 1 293.455 2.018 20 30 CEEDMP C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC001172306708 815363275 /nfs/dbraw/zinc/36/32/75/815363275.db2.gz ALVUFOIEVILDEU-JJRVBVJISA-N 2 1 271.408 2.419 20 30 CEEDMP C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC001172306708 815363282 /nfs/dbraw/zinc/36/32/82/815363282.db2.gz ALVUFOIEVILDEU-JJRVBVJISA-N 2 1 271.408 2.419 20 30 CEEDMP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001085244921 810703269 /nfs/dbraw/zinc/70/32/69/810703269.db2.gz DOSPMQJZDKCTJU-BZUAXINKSA-N 2 1 293.455 2.064 20 30 CEEDMP C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CCC ZINC001038322517 810821167 /nfs/dbraw/zinc/82/11/67/810821167.db2.gz SAFWKDQOYMBJBR-HZPDHXFCSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CCC ZINC001038322517 810821180 /nfs/dbraw/zinc/82/11/80/810821180.db2.gz SAFWKDQOYMBJBR-HZPDHXFCSA-N 2 1 293.455 2.018 20 30 CEEDMP Cc1ccc(CC#N)c(NC[C@]2(F)CCCC[NH2+]C2)[nH+]1 ZINC001155117463 810984222 /nfs/dbraw/zinc/98/42/22/810984222.db2.gz GNPLZNNJXDSKGH-HNNXBMFYSA-N 2 1 276.359 2.350 20 30 CEEDMP C=CCC[N@@H+]1CC[C@](C)(NC(=O)c2cc3c[nH]ccc-3n2)C1 ZINC001046415785 811751477 /nfs/dbraw/zinc/75/14/77/811751477.db2.gz RWZZFFXSQFDHEY-KRWDZBQOSA-N 2 1 298.390 2.333 20 30 CEEDMP C=CCCC[NH+](CC)[C@H](C)CNC(=O)C[N@H+](C)CCC ZINC001156530088 811800264 /nfs/dbraw/zinc/80/02/64/811800264.db2.gz KJHZOJPLIBJYJP-OAHLLOKOSA-N 2 1 283.460 2.121 20 30 CEEDMP C=CCCC[N@@H+](CC)[C@H](C)CNC(=O)C[NH+](C)CCC ZINC001156530088 811800270 /nfs/dbraw/zinc/80/02/70/811800270.db2.gz KJHZOJPLIBJYJP-OAHLLOKOSA-N 2 1 283.460 2.121 20 30 CEEDMP C=CCCC[N@H+](CC)[C@H](C)CNC(=O)C[NH+](C)CCC ZINC001156530088 811800277 /nfs/dbraw/zinc/80/02/77/811800277.db2.gz KJHZOJPLIBJYJP-OAHLLOKOSA-N 2 1 283.460 2.121 20 30 CEEDMP C=CCC[NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001132795490 812947600 /nfs/dbraw/zinc/94/76/00/812947600.db2.gz SFYMRICLCMMNGG-INIZCTEOSA-N 2 1 293.455 2.065 20 30 CEEDMP C=C(C)CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001052255161 812958241 /nfs/dbraw/zinc/95/82/41/812958241.db2.gz WRKWKRSAIXIYSY-HOTGVXAUSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001052255161 812958248 /nfs/dbraw/zinc/95/82/48/812958248.db2.gz WRKWKRSAIXIYSY-HOTGVXAUSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001052255161 812958251 /nfs/dbraw/zinc/95/82/51/812958251.db2.gz WRKWKRSAIXIYSY-HOTGVXAUSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)C[NH2+][C@H](C)C[C@H](C)NC(=O)C(C)(C)[N@H+](C)CC ZINC001134773737 813322920 /nfs/dbraw/zinc/32/29/20/813322920.db2.gz RCPWYJDOZPDLSK-KGLIPLIRSA-N 2 1 283.460 2.166 20 30 CEEDMP C=CC[N@@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)CC[C@H]1C ZINC001071686020 813464067 /nfs/dbraw/zinc/46/40/67/813464067.db2.gz LZGTYQGCARYBSC-HIFRSBDPSA-N 2 1 298.390 2.103 20 30 CEEDMP C=CCC[C@@H](C)[NH2+]CCCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001160274131 813754671 /nfs/dbraw/zinc/75/46/71/813754671.db2.gz PKQGTSYIVIQYCU-HZPDHXFCSA-N 2 1 295.471 2.311 20 30 CEEDMP C#Cc1ccc(C[NH+]2C[C@H]3C[N@H+](CCC)C[C@H]3C2)cc1 ZINC001144578755 814114649 /nfs/dbraw/zinc/11/46/49/814114649.db2.gz NEBGDRQSVUHJNU-HDICACEKSA-N 2 1 268.404 2.442 20 30 CEEDMP C#Cc1ccc(C[NH+]2C[C@H]3C[N@@H+](CCC)C[C@H]3C2)cc1 ZINC001144578755 814114653 /nfs/dbraw/zinc/11/46/53/814114653.db2.gz NEBGDRQSVUHJNU-HDICACEKSA-N 2 1 268.404 2.442 20 30 CEEDMP C#Cc1ccc(C[N@@H+]2C[C@H]3C[NH+](CCC)C[C@H]3C2)cc1 ZINC001144578755 814114661 /nfs/dbraw/zinc/11/46/61/814114661.db2.gz NEBGDRQSVUHJNU-HDICACEKSA-N 2 1 268.404 2.442 20 30 CEEDMP C#Cc1ccc(C[N@H+]2C[C@H]3C[NH+](CCC)C[C@H]3C2)cc1 ZINC001144578755 814114666 /nfs/dbraw/zinc/11/46/66/814114666.db2.gz NEBGDRQSVUHJNU-HDICACEKSA-N 2 1 268.404 2.442 20 30 CEEDMP C=CCC[C@H](C)[NH2+]C1CC(CNC(=O)C[N@H+](C)CCC)C1 ZINC001100901644 814201859 /nfs/dbraw/zinc/20/18/59/814201859.db2.gz GNRFEWQUGAKYAY-FHERZECASA-N 2 1 295.471 2.167 20 30 CEEDMP N#CCc1ccccc1C[N@@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206198644 815711697 /nfs/dbraw/zinc/71/16/97/815711697.db2.gz NDCQDXHFWQZPJB-GJZGRUSLSA-N 2 1 261.344 2.014 20 30 CEEDMP C=CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001174906751 816107548 /nfs/dbraw/zinc/10/75/48/816107548.db2.gz XCEPCMZJDKGOHT-JYJNAYRXSA-N 2 1 295.471 2.167 20 30 CEEDMP C#CC[N@H+](C)CCCNCc1cc(C)nc(Cl)c1 ZINC000401798489 816574128 /nfs/dbraw/zinc/57/41/28/816574128.db2.gz RGAZWOLHWFOARU-UHFFFAOYSA-N 2 1 265.788 2.088 20 30 CEEDMP C#CC[N@@H+](C)CCCNCc1cc(C)nc(Cl)c1 ZINC000401798489 816574132 /nfs/dbraw/zinc/57/41/32/816574132.db2.gz RGAZWOLHWFOARU-UHFFFAOYSA-N 2 1 265.788 2.088 20 30 CEEDMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc(C#N)cc1 ZINC000069754406 343790926 /nfs/dbraw/zinc/79/09/26/343790926.db2.gz SQJSOPLIBGAKCU-UHFFFAOYSA-N 2 1 254.337 2.243 20 30 CEEDMP N#Cc1cccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)c1 ZINC000593322863 345466546 /nfs/dbraw/zinc/46/65/46/345466546.db2.gz PFPJHJYVMJQFHB-KURKYZTESA-N 2 1 299.418 2.419 20 30 CEEDMP N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cc1 ZINC000593730192 345528913 /nfs/dbraw/zinc/52/89/13/345528913.db2.gz LPHUPMKAYWMLJI-KSZLIROESA-N 2 1 299.418 2.419 20 30 CEEDMP C[NH+](C)C1CC[NH+](CCc2ccc(C#N)cc2)CC1 ZINC000595298530 345757295 /nfs/dbraw/zinc/75/72/95/345757295.db2.gz QXJAFJFWRURZCX-UHFFFAOYSA-N 2 1 257.381 2.127 20 30 CEEDMP C[N@@H+](CCc1ccc(C#N)cc1)C[C@H]1CCC[NH+](C)C1 ZINC000595328954 345763099 /nfs/dbraw/zinc/76/30/99/345763099.db2.gz CQJXRLKKMKPAOY-KRWDZBQOSA-N 2 1 271.408 2.374 20 30 CEEDMP C[NH+](CCc1ccc(C#N)cc1)C[C@H]1CCC[N@H+](C)C1 ZINC000595328954 345763104 /nfs/dbraw/zinc/76/31/04/345763104.db2.gz CQJXRLKKMKPAOY-KRWDZBQOSA-N 2 1 271.408 2.374 20 30 CEEDMP C[NH+](CCc1ccc(C#N)cc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000595328954 345763108 /nfs/dbraw/zinc/76/31/08/345763108.db2.gz CQJXRLKKMKPAOY-KRWDZBQOSA-N 2 1 271.408 2.374 20 30 CEEDMP CC[C@H]1C[N@@H+](CCc2ccc(C#N)cc2)CC[C@@H]1[NH3+] ZINC000595895926 345909444 /nfs/dbraw/zinc/90/94/44/345909444.db2.gz WKVJTUZRZJDCQO-HOTGVXAUSA-N 2 1 257.381 2.160 20 30 CEEDMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H](O)CC(C)(C)C#N ZINC000598595511 346380463 /nfs/dbraw/zinc/38/04/63/346380463.db2.gz OUYUAISOMOBMRC-CABCVRRESA-N 2 1 281.444 2.093 20 30 CEEDMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@@H](O)CC(C)(C)C#N ZINC000598595511 346380466 /nfs/dbraw/zinc/38/04/66/346380466.db2.gz OUYUAISOMOBMRC-CABCVRRESA-N 2 1 281.444 2.093 20 30 CEEDMP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@@H](O)CC(C)(C)C#N ZINC000598595511 346380467 /nfs/dbraw/zinc/38/04/67/346380467.db2.gz OUYUAISOMOBMRC-CABCVRRESA-N 2 1 281.444 2.093 20 30 CEEDMP C[C@@H]1CC[N@@H+](C[C@@H](O)CC(C)(C)C#N)C[C@H]1n1ccnc1 ZINC000598598796 346380942 /nfs/dbraw/zinc/38/09/42/346380942.db2.gz VWSOIBSXOMHMCJ-QLFBSQMISA-N 2 1 290.411 2.067 20 30 CEEDMP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC000598994752 346443127 /nfs/dbraw/zinc/44/31/27/346443127.db2.gz QOEVGUHEIPMQGG-GFCCVEGCSA-N 2 1 263.410 2.441 20 30 CEEDMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC000598994752 346443131 /nfs/dbraw/zinc/44/31/31/346443131.db2.gz QOEVGUHEIPMQGG-GFCCVEGCSA-N 2 1 263.410 2.441 20 30 CEEDMP Cc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1C#N ZINC000600709069 346674870 /nfs/dbraw/zinc/67/48/70/346674870.db2.gz NYPZCYMZLVHIHD-USXIJHARSA-N 2 1 269.392 2.426 20 30 CEEDMP N#CCc1cccc2c1CC[N@H+](C[C@@H]1CCC[NH2+]C1)C2 ZINC000600752437 346684499 /nfs/dbraw/zinc/68/44/99/346684499.db2.gz XFTVILJSLWWDLD-CQSZACIVSA-N 2 1 269.392 2.110 20 30 CEEDMP N#CCc1cccc2c1CC[N@@H+](C[C@@H]1CCC[NH2+]C1)C2 ZINC000600752437 346684501 /nfs/dbraw/zinc/68/45/01/346684501.db2.gz XFTVILJSLWWDLD-CQSZACIVSA-N 2 1 269.392 2.110 20 30 CEEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000602683128 347143474 /nfs/dbraw/zinc/14/34/74/347143474.db2.gz PKQNZGQVCMTMOK-WZYMTQMTSA-N 2 1 291.439 2.300 20 30 CEEDMP C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623512475 350038419 /nfs/dbraw/zinc/03/84/19/350038419.db2.gz IZLSSQNSVBAXFA-ZNMIVQPWSA-N 2 1 266.429 2.430 20 30 CEEDMP C[C@H]1C[C@@H]([NH+](C)CCOc2ccc(C#N)cc2)CC[N@@H+]1C ZINC000123062742 187069186 /nfs/dbraw/zinc/06/91/86/187069186.db2.gz IKNGDGDWVSTCDZ-HOCLYGCPSA-N 2 1 287.407 2.352 20 30 CEEDMP C[C@H]1C[C@@H]([NH+](C)CCOc2ccc(C#N)cc2)CC[N@H+]1C ZINC000123062742 187069187 /nfs/dbraw/zinc/06/91/87/187069187.db2.gz IKNGDGDWVSTCDZ-HOCLYGCPSA-N 2 1 287.407 2.352 20 30 CEEDMP C[C@H]1C[C@@H]([N@H+](C)CCOc2ccc(C#N)cc2)CC[NH+]1C ZINC000123062742 187069188 /nfs/dbraw/zinc/06/91/88/187069188.db2.gz IKNGDGDWVSTCDZ-HOCLYGCPSA-N 2 1 287.407 2.352 20 30 CEEDMP C[C@H]1C[C@@H]([N@@H+](C)CCOc2ccc(C#N)cc2)CC[NH+]1C ZINC000123062742 187069189 /nfs/dbraw/zinc/06/91/89/187069189.db2.gz IKNGDGDWVSTCDZ-HOCLYGCPSA-N 2 1 287.407 2.352 20 30 CEEDMP C[C@H]1C[C@H]([NH2+]Cc2ccc(OCC#N)cc2)CC[N@H+]1C ZINC000157790649 188339390 /nfs/dbraw/zinc/33/93/90/188339390.db2.gz YMQZKSRGBYQAPV-DZGCQCFKSA-N 2 1 273.380 2.161 20 30 CEEDMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCOc1ccc(C#N)cc1 ZINC000133651630 366244147 /nfs/dbraw/zinc/24/41/47/366244147.db2.gz HHDAAYUFUAXDOP-KEYYUXOJSA-N 2 1 287.407 2.255 20 30 CEEDMP CCCC[N@@H+](C)CC1CC[NH+](CCOCCC#N)CC1 ZINC000338914772 366570012 /nfs/dbraw/zinc/57/00/12/366570012.db2.gz CJDGHXFPGAQENV-UHFFFAOYSA-N 2 1 281.444 2.361 20 30 CEEDMP C=C(C)[C@H](CO)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000677047886 540976052 /nfs/dbraw/zinc/97/60/52/540976052.db2.gz JAGQGRNBSDRMDD-MSOLQXFVSA-N 2 1 288.435 2.377 20 30 CEEDMP C=C(C)[C@H](CO)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000677047886 540976055 /nfs/dbraw/zinc/97/60/55/540976055.db2.gz JAGQGRNBSDRMDD-MSOLQXFVSA-N 2 1 288.435 2.377 20 30 CEEDMP C=C(C)[C@H](CO)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000677047886 540976056 /nfs/dbraw/zinc/97/60/56/540976056.db2.gz JAGQGRNBSDRMDD-MSOLQXFVSA-N 2 1 288.435 2.377 20 30 CEEDMP N#Cc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1F ZINC000334738434 364251672 /nfs/dbraw/zinc/25/16/72/364251672.db2.gz LJMJJIBNFYDWHA-LSDHHAIUSA-N 2 1 273.355 2.414 20 30 CEEDMP N#Cc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1F ZINC000334738434 364251674 /nfs/dbraw/zinc/25/16/74/364251674.db2.gz LJMJJIBNFYDWHA-LSDHHAIUSA-N 2 1 273.355 2.414 20 30 CEEDMP N#Cc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000334979847 364303841 /nfs/dbraw/zinc/30/38/41/364303841.db2.gz JWGSVCMYBPILRS-DLBZAZTESA-N 2 1 269.392 2.380 20 30 CEEDMP C=CCCC[N@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343715444 367970101 /nfs/dbraw/zinc/97/01/01/367970101.db2.gz ALRWAPFVHCKZKJ-HNNXBMFYSA-N 2 1 265.445 2.053 20 30 CEEDMP COc1ccc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)cc1C#N ZINC000174349952 368013626 /nfs/dbraw/zinc/01/36/26/368013626.db2.gz VYFDOZGBEVVBDX-CYBMUJFWSA-N 2 1 298.390 2.498 20 30 CEEDMP C=C(C)CC[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634716140 368837244 /nfs/dbraw/zinc/83/72/44/368837244.db2.gz PCRSGJQOGYYUQZ-QGZVFWFLSA-N 2 1 274.408 2.179 20 30 CEEDMP C=C(C)CC[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634716140 368837249 /nfs/dbraw/zinc/83/72/49/368837249.db2.gz PCRSGJQOGYYUQZ-QGZVFWFLSA-N 2 1 274.408 2.179 20 30 CEEDMP C=CC[C@H](CO)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000186704203 369023630 /nfs/dbraw/zinc/02/36/30/369023630.db2.gz MALUOARRFZFKBX-QGZVFWFLSA-N 2 1 274.408 2.178 20 30 CEEDMP C=CCC[NH2+][C@@H]1CC[N@H+](CCCOCC)C[C@H]1C ZINC000190006615 369587727 /nfs/dbraw/zinc/58/77/27/369587727.db2.gz XDDSTPRCZSPVGE-HUUCEWRRSA-N 2 1 254.418 2.289 20 30 CEEDMP CCNC(=[NH2+])NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000264073835 371962600 /nfs/dbraw/zinc/96/26/00/371962600.db2.gz GQSYCCIJNLBCAQ-CQSZACIVSA-N 2 1 288.439 2.343 20 30 CEEDMP C=CCSCC[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000368424584 373240038 /nfs/dbraw/zinc/24/00/38/373240038.db2.gz LWULOTCKXLUOFK-BZUAXINKSA-N 2 1 298.496 2.385 20 30 CEEDMP C=CCCC[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371421976 373877014 /nfs/dbraw/zinc/87/70/14/373877014.db2.gz CHASTLCMFVWFMY-INIZCTEOSA-N 2 1 265.445 2.053 20 30 CEEDMP C[N@@H+]1CCCC12CC[NH+](CCCSCC#N)CC2 ZINC000374978046 374638913 /nfs/dbraw/zinc/63/89/13/374638913.db2.gz JGTSBUUSWJTPBB-UHFFFAOYSA-N 2 1 267.442 2.193 20 30 CEEDMP C[N@H+]1CCCC12CC[NH+](CCCSCC#N)CC2 ZINC000374978046 374638932 /nfs/dbraw/zinc/63/89/32/374638932.db2.gz JGTSBUUSWJTPBB-UHFFFAOYSA-N 2 1 267.442 2.193 20 30 CEEDMP C=C(C)C[N@@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000420985833 376755910 /nfs/dbraw/zinc/75/59/10/376755910.db2.gz WZBSXZVCGXCAJC-UHFFFAOYSA-N 2 1 265.445 2.055 20 30 CEEDMP C#CCOc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000264977600 190149756 /nfs/dbraw/zinc/14/97/56/190149756.db2.gz SPHFGFILPSTPHQ-ROUUACIJSA-N 2 1 284.403 2.415 20 30 CEEDMP C#CCOc1ccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000264977600 190149757 /nfs/dbraw/zinc/14/97/57/190149757.db2.gz SPHFGFILPSTPHQ-ROUUACIJSA-N 2 1 284.403 2.415 20 30 CEEDMP C=CC[C@@H](Cc1ccccc1)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000564856317 377480378 /nfs/dbraw/zinc/48/03/78/377480378.db2.gz GHAZBPBEUCUMJJ-FUHWJXTLSA-N 2 1 288.435 2.219 20 30 CEEDMP C=CC[C@@H](Cc1ccccc1)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000564856317 377480385 /nfs/dbraw/zinc/48/03/85/377480385.db2.gz GHAZBPBEUCUMJJ-FUHWJXTLSA-N 2 1 288.435 2.219 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCCc2ccc(O)cc21 ZINC000294854416 378023282 /nfs/dbraw/zinc/02/32/82/378023282.db2.gz BNPHZIQWLZJQRP-QGZVFWFLSA-N 2 1 272.392 2.314 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCCc2ccc(O)cc21 ZINC000294854416 378023286 /nfs/dbraw/zinc/02/32/86/378023286.db2.gz BNPHZIQWLZJQRP-QGZVFWFLSA-N 2 1 272.392 2.314 20 30 CEEDMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000421867363 394621828 /nfs/dbraw/zinc/62/18/28/394621828.db2.gz BXLAPPAHSIRHAZ-SUNKGSAMSA-N 2 1 263.410 2.438 20 30 CEEDMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000421867363 394621832 /nfs/dbraw/zinc/62/18/32/394621832.db2.gz BXLAPPAHSIRHAZ-SUNKGSAMSA-N 2 1 263.410 2.438 20 30 CEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCc1ccccc1 ZINC000104153209 394717840 /nfs/dbraw/zinc/71/78/40/394717840.db2.gz SXDLHTVDABXPQJ-MRXNPFEDSA-N 2 1 288.439 2.008 20 30 CEEDMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(C#N)cc1 ZINC000275057346 394804972 /nfs/dbraw/zinc/80/49/72/394804972.db2.gz XUHQJHQCHQRPRT-BBRMVZONSA-N 2 1 257.381 2.330 20 30 CEEDMP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(C#N)cc1 ZINC000275057346 394804976 /nfs/dbraw/zinc/80/49/76/394804976.db2.gz XUHQJHQCHQRPRT-BBRMVZONSA-N 2 1 257.381 2.330 20 30 CEEDMP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000275057346 394804981 /nfs/dbraw/zinc/80/49/81/394804981.db2.gz XUHQJHQCHQRPRT-BBRMVZONSA-N 2 1 257.381 2.330 20 30 CEEDMP C[N@H+]1CCC[C@@H](N2CC[NH+](CC(C)(C)CCC#N)CC2)C1 ZINC000362377770 394857440 /nfs/dbraw/zinc/85/74/40/394857440.db2.gz ZWPIIYNQUUZDNH-MRXNPFEDSA-N 2 1 292.471 2.028 20 30 CEEDMP C=CCOCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000339043416 394938032 /nfs/dbraw/zinc/93/80/32/394938032.db2.gz GEQOUSLEKIMBGE-ZBFHGGJFSA-N 2 1 264.413 2.138 20 30 CEEDMP C=CCOCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000339043416 394938036 /nfs/dbraw/zinc/93/80/36/394938036.db2.gz GEQOUSLEKIMBGE-ZBFHGGJFSA-N 2 1 264.413 2.138 20 30 CEEDMP COc1ccc(C#N)cc1CN1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000153635534 395013144 /nfs/dbraw/zinc/01/31/44/395013144.db2.gz BZADXDPEBQABTK-WBVHZDCISA-N 2 1 299.418 2.483 20 30 CEEDMP C=C[C@H](CO)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000289685796 395084098 /nfs/dbraw/zinc/08/40/98/395084098.db2.gz HYEUSVYXKSKNKG-USXIJHARSA-N 2 1 274.408 2.176 20 30 CEEDMP C=C[C@H](CO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000289685796 395084101 /nfs/dbraw/zinc/08/41/01/395084101.db2.gz HYEUSVYXKSKNKG-USXIJHARSA-N 2 1 274.408 2.176 20 30 CEEDMP C=CCOc1ccccc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000346840962 395109274 /nfs/dbraw/zinc/10/92/74/395109274.db2.gz GXYAFTHUMYGKIB-CWRNSKLLSA-N 2 1 272.392 2.421 20 30 CEEDMP C=CCCCCC[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000181368281 395214399 /nfs/dbraw/zinc/21/43/99/395214399.db2.gz SIQAHFZZRIOLCL-UHFFFAOYSA-N 2 1 267.461 2.302 20 30 CEEDMP C=C(C)COCC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000353616948 395303389 /nfs/dbraw/zinc/30/33/89/395303389.db2.gz CFKDXUGXDVZHSL-RBSFLKMASA-N 2 1 252.402 2.042 20 30 CEEDMP C=CCC[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)C1CC1 ZINC000442869511 395397304 /nfs/dbraw/zinc/39/73/04/395397304.db2.gz DMNHYLDCIPHNOH-INIZCTEOSA-N 2 1 279.472 2.347 20 30 CEEDMP COCC[NH+]1CCC([NH2+]Cc2ccc(C#N)c(C)c2)CC1 ZINC000443987961 395409416 /nfs/dbraw/zinc/40/94/16/395409416.db2.gz YTHODGOMVVEDFK-UHFFFAOYSA-N 2 1 287.407 2.067 20 30 CEEDMP C=CCCCC[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646106679 396294997 /nfs/dbraw/zinc/29/49/97/396294997.db2.gz LLDGSXKMOJVVDN-UHFFFAOYSA-N 2 1 252.402 2.139 20 30 CEEDMP C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000661116517 415101749 /nfs/dbraw/zinc/10/17/49/415101749.db2.gz YRMLAGKTZSNYTN-BMFZPTHFSA-N 2 1 266.429 2.166 20 30 CEEDMP C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000661116517 415101752 /nfs/dbraw/zinc/10/17/52/415101752.db2.gz YRMLAGKTZSNYTN-BMFZPTHFSA-N 2 1 266.429 2.166 20 30 CEEDMP C=CCN(CCc1ccco1)C[C@@H](O)C[N@H+](C)C(C)C ZINC000660225685 415930018 /nfs/dbraw/zinc/93/00/18/415930018.db2.gz QMKCJPWWWFLESQ-HNNXBMFYSA-N 2 1 280.412 2.011 20 30 CEEDMP C#CCOc1ccccc1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000037408341 260101444 /nfs/dbraw/zinc/10/14/44/260101444.db2.gz VFKBROHWYWZQRJ-OAHLLOKOSA-N 2 1 284.403 2.273 20 30 CEEDMP C#CCOc1ccccc1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000037408341 260101445 /nfs/dbraw/zinc/10/14/45/260101445.db2.gz VFKBROHWYWZQRJ-OAHLLOKOSA-N 2 1 284.403 2.273 20 30 CEEDMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=[NH2+])N(C)C)cc1 ZINC000170911245 261449403 /nfs/dbraw/zinc/44/94/03/261449403.db2.gz YNNFOHHNWZXDJU-CQSZACIVSA-N 2 1 288.439 2.437 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+]C[C@@H](O)c1ccc(F)cc1Cl ZINC000491813992 262089431 /nfs/dbraw/zinc/08/94/31/262089431.db2.gz CAEHAVDQBWJCOQ-OAHLLOKOSA-N 2 1 298.789 2.057 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@@H](O)c1ccc(F)cc1Cl ZINC000491813992 262089434 /nfs/dbraw/zinc/08/94/34/262089434.db2.gz CAEHAVDQBWJCOQ-OAHLLOKOSA-N 2 1 298.789 2.057 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+]C[C@H](O)c1ccc(F)cc1Cl ZINC000491813990 262089661 /nfs/dbraw/zinc/08/96/61/262089661.db2.gz CAEHAVDQBWJCOQ-HNNXBMFYSA-N 2 1 298.789 2.057 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@H](O)c1ccc(F)cc1Cl ZINC000491813990 262089663 /nfs/dbraw/zinc/08/96/63/262089663.db2.gz CAEHAVDQBWJCOQ-HNNXBMFYSA-N 2 1 298.789 2.057 20 30 CEEDMP CN(CCC#N)c1ccc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1 ZINC000194539511 262239041 /nfs/dbraw/zinc/23/90/41/262239041.db2.gz VQTCFUDCBVNOCB-CALCHBBNSA-N 2 1 298.434 2.030 20 30 CEEDMP CN(CCC#N)c1ccc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)cc1 ZINC000194539511 262239042 /nfs/dbraw/zinc/23/90/42/262239042.db2.gz VQTCFUDCBVNOCB-CALCHBBNSA-N 2 1 298.434 2.030 20 30 CEEDMP CN(CCC#N)c1ccc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)cc1 ZINC000194539511 262239043 /nfs/dbraw/zinc/23/90/43/262239043.db2.gz VQTCFUDCBVNOCB-CALCHBBNSA-N 2 1 298.434 2.030 20 30 CEEDMP CC[C@@H](C)NC(=[NH2+])NC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000267451726 262931718 /nfs/dbraw/zinc/93/17/18/262931718.db2.gz RPPYWAHHEKSMTO-KGLIPLIRSA-N 2 1 276.428 2.210 20 30 CEEDMP CC[C@@H](C)NC(=[NH2+])NC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000267451726 262931719 /nfs/dbraw/zinc/93/17/19/262931719.db2.gz RPPYWAHHEKSMTO-KGLIPLIRSA-N 2 1 276.428 2.210 20 30 CEEDMP CCC[N@H+](C)[C@@H](CNC(=[NH2+])NC)c1ccc(Cl)cc1 ZINC000285014594 263089233 /nfs/dbraw/zinc/08/92/33/263089233.db2.gz IWBBXLKYBRMCJA-ZDUSSCGKSA-N 2 1 282.819 2.257 20 30 CEEDMP CCC[N@@H+](C)[C@@H](CNC(=[NH2+])NC)c1ccc(Cl)cc1 ZINC000285014594 263089234 /nfs/dbraw/zinc/08/92/34/263089234.db2.gz IWBBXLKYBRMCJA-ZDUSSCGKSA-N 2 1 282.819 2.257 20 30 CEEDMP CN(C)C(=[NH2+])NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000290738877 263118464 /nfs/dbraw/zinc/11/84/64/263118464.db2.gz WXNMZMIAXUVWNX-MRXNPFEDSA-N 2 1 288.439 2.165 20 30 CEEDMP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423442096 270912299 /nfs/dbraw/zinc/91/22/99/270912299.db2.gz UUJWLDMMZDRQGS-VVLHAWIVSA-N 2 1 267.376 2.133 20 30 CEEDMP C=C(C)CN(CC)C(=O)[C@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000173615779 329149787 /nfs/dbraw/zinc/14/97/87/329149787.db2.gz HPQTWBRIBATTJP-HNNXBMFYSA-N 2 1 295.471 2.262 20 30 CEEDMP C=CCC[C@@H](O)C[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000127886094 329603081 /nfs/dbraw/zinc/60/30/81/329603081.db2.gz RBNRYSWMDMFUJF-OAHLLOKOSA-N 2 1 277.412 2.002 20 30 CEEDMP CC(C)NC(=[NH2+])NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000262188251 330001514 /nfs/dbraw/zinc/00/15/14/330001514.db2.gz CBGKHIKGVFMHCY-LBPRGKRZSA-N 2 1 280.441 2.198 20 30 CEEDMP CC(C)NC(=[NH2+])NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000262417086 330008975 /nfs/dbraw/zinc/00/89/75/330008975.db2.gz QIVYDSRUQPRXBG-GXTWGEPZSA-N 2 1 294.468 2.444 20 30 CEEDMP C=CCCCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000423056394 330167535 /nfs/dbraw/zinc/16/75/35/330167535.db2.gz XKOASVPWIGFASJ-RRFJBIMHSA-N 2 1 252.402 2.089 20 30 CEEDMP C=CC(C)(C)CC[NH2+]C1CC[NH+](CCOC)CC1 ZINC000527928036 330296833 /nfs/dbraw/zinc/29/68/33/330296833.db2.gz SZADWXDBCOQZCG-UHFFFAOYSA-N 2 1 254.418 2.289 20 30 CEEDMP C=CCC[C@H]([NH2+]CC1([NH+](C)C)CCOCC1)C1CC1 ZINC000121173421 330396986 /nfs/dbraw/zinc/39/69/86/330396986.db2.gz OTYOYBLRHVPTDL-HNNXBMFYSA-N 2 1 266.429 2.432 20 30 CEEDMP CCNC(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)=[NH+]CC ZINC000195165006 331139214 /nfs/dbraw/zinc/13/92/14/331139214.db2.gz WSTWXJQUGCTGDP-MRXNPFEDSA-N 2 1 288.439 2.084 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000491210190 332166788 /nfs/dbraw/zinc/16/67/88/332166788.db2.gz QYGXADCWLBRFKL-GVDBMIGSSA-N 2 1 278.440 2.126 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000491210190 332166790 /nfs/dbraw/zinc/16/67/90/332166790.db2.gz QYGXADCWLBRFKL-GVDBMIGSSA-N 2 1 278.440 2.126 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)C1(OC)CCCCC1 ZINC000491747331 332324717 /nfs/dbraw/zinc/32/47/17/332324717.db2.gz QAMLYAAMWGNPPE-OAHLLOKOSA-N 2 1 266.429 2.269 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)C1(OC)CCCCC1 ZINC000491747331 332324719 /nfs/dbraw/zinc/32/47/19/332324719.db2.gz QAMLYAAMWGNPPE-OAHLLOKOSA-N 2 1 266.429 2.269 20 30 CEEDMP C#C[C@@H](C)[N@H+](C)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000491815564 332366704 /nfs/dbraw/zinc/36/67/04/332366704.db2.gz UZLKGDQGNJIJFK-GFCCVEGCSA-N 2 1 254.337 2.029 20 30 CEEDMP C#C[C@@H](C)[N@@H+](C)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000491815564 332366706 /nfs/dbraw/zinc/36/67/06/332366706.db2.gz UZLKGDQGNJIJFK-GFCCVEGCSA-N 2 1 254.337 2.029 20 30 CEEDMP C=CC[NH+]1CCC(NC(=O)CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000353308314 526421603 /nfs/dbraw/zinc/42/16/03/526421603.db2.gz AHPFNHLEYOVHHD-INIZCTEOSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCc1cc(C[N@H+](C)C2CC[NH2+]CC2)cc(OC)c1O ZINC000347187854 527234644 /nfs/dbraw/zinc/23/46/44/527234644.db2.gz CPTJUAQNSSGDDR-UHFFFAOYSA-N 2 1 290.407 2.313 20 30 CEEDMP C=CCc1cc(C[N@@H+](C)C2CC[NH2+]CC2)cc(OC)c1O ZINC000347187854 527234646 /nfs/dbraw/zinc/23/46/46/527234646.db2.gz CPTJUAQNSSGDDR-UHFFFAOYSA-N 2 1 290.407 2.313 20 30 CEEDMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC000404108026 527744966 /nfs/dbraw/zinc/74/49/66/527744966.db2.gz IMODRALRRAALMM-ZDUSSCGKSA-N 2 1 261.344 2.129 20 30 CEEDMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC000404108026 527744971 /nfs/dbraw/zinc/74/49/71/527744971.db2.gz IMODRALRRAALMM-ZDUSSCGKSA-N 2 1 261.344 2.129 20 30 CEEDMP N#Cc1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000733330688 574665198 /nfs/dbraw/zinc/66/51/98/574665198.db2.gz IULSZCCMXGQBLE-SFHVURJKSA-N 2 1 299.418 2.291 20 30 CEEDMP C[C@@H]1C[C@H](C)C[N@H+]([C@@H]2CCCCC2=[NH+]n2cnnc2)C1 ZINC000751517757 575290982 /nfs/dbraw/zinc/29/09/82/575290982.db2.gz VUEXXXJTHRIDMG-VNHYZAJKSA-N 2 1 275.400 2.403 20 30 CEEDMP C[C@@H]1C[C@H](C)C[N@@H+]([C@@H]2CCCCC2=[NH+]n2cnnc2)C1 ZINC000751517757 575290983 /nfs/dbraw/zinc/29/09/83/575290983.db2.gz VUEXXXJTHRIDMG-VNHYZAJKSA-N 2 1 275.400 2.403 20 30 CEEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC000968915233 613348259 /nfs/dbraw/zinc/34/82/59/613348259.db2.gz DZADFZJNJLBIGZ-CVEARBPZSA-N 2 1 293.455 2.016 20 30 CEEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC000970176605 613348624 /nfs/dbraw/zinc/34/86/24/613348624.db2.gz DXOIRAKYKQFMMN-CVEARBPZSA-N 2 1 293.455 2.016 20 30 CEEDMP COc1ccc(NC(=[NH2+])NC[C@H]2CC[N@@H+](C)C2)cc1Cl ZINC000261998772 624199308 /nfs/dbraw/zinc/19/93/08/624199308.db2.gz OSOJAHXNCRACSZ-SNVBAGLBSA-N 2 1 296.802 2.027 20 30 CEEDMP C=CC[NH+]1CCC(NCc2cnn(C)c2C2CC2)CC1 ZINC000892881638 627828385 /nfs/dbraw/zinc/82/83/85/627828385.db2.gz ZZDUYBOGHKAQTM-UHFFFAOYSA-N 2 1 274.412 2.038 20 30 CEEDMP CC[C@H](C)NC(=[NH2+])NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000195165075 628527513 /nfs/dbraw/zinc/52/75/13/628527513.db2.gz GEQCFWIBBAVWIQ-GOEBONIOSA-N 2 1 288.439 2.211 20 30 CEEDMP CC1(C#N)CCC([NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)CC1 ZINC000925795951 628841051 /nfs/dbraw/zinc/84/10/51/628841051.db2.gz ZBOONKJLGXINOZ-PCKAHOCUSA-N 2 1 291.439 2.207 20 30 CEEDMP C=CC[C@H](C)[C@@H](C)[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000925796823 628841729 /nfs/dbraw/zinc/84/17/29/628841729.db2.gz SJRUNBWLYAJVDE-RRFJBIMHSA-N 2 1 266.429 2.335 20 30 CEEDMP C=CC[C@@H](C)[C@@H](C)[NH2+]CCCCC[NH+]1CCNCC1 ZINC000925843690 628946401 /nfs/dbraw/zinc/94/64/01/628946401.db2.gz GXOFTYASIXHFHL-HZPDHXFCSA-N 2 1 267.461 2.252 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+]C[C@@H]1CCN(c2ccccc2)C1 ZINC000894863610 629701427 /nfs/dbraw/zinc/70/14/27/629701427.db2.gz NESARHOWEZFGFS-KRWDZBQOSA-N 2 1 285.435 2.058 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@@H]1CCN(c2ccccc2)C1 ZINC000894863610 629701430 /nfs/dbraw/zinc/70/14/30/629701430.db2.gz NESARHOWEZFGFS-KRWDZBQOSA-N 2 1 285.435 2.058 20 30 CEEDMP C#CCCOc1ccc(CN2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)cc1 ZINC000897621482 631826439 /nfs/dbraw/zinc/82/64/39/631826439.db2.gz CSZKSKBCUUEBGE-MJGOQNOKSA-N 2 1 298.430 2.472 20 30 CEEDMP C#CCCOc1ccc(C[N@H+]2C[C@H]3C[NH+](C)C[C@@]3(C)C2)cc1 ZINC000897621482 631826457 /nfs/dbraw/zinc/82/64/57/631826457.db2.gz CSZKSKBCUUEBGE-MJGOQNOKSA-N 2 1 298.430 2.472 20 30 CEEDMP C#CCCOc1ccc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@@]3(C)C2)cc1 ZINC000897621482 631826461 /nfs/dbraw/zinc/82/64/61/631826461.db2.gz CSZKSKBCUUEBGE-MJGOQNOKSA-N 2 1 298.430 2.472 20 30 CEEDMP C#Cc1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000809619114 632113159 /nfs/dbraw/zinc/11/31/59/632113159.db2.gz PJWGEJRWEFLFBQ-LJQANCHMSA-N 2 1 298.430 2.401 20 30 CEEDMP CC(=NNc1cc[nH+]cc1)c1cccc(C[NH+](C)C)c1 ZINC000814899912 632919755 /nfs/dbraw/zinc/91/97/55/632919755.db2.gz UYBHRGIKQHRQJZ-UHFFFAOYSA-N 2 1 268.364 2.401 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)CC1 ZINC000902797134 634838356 /nfs/dbraw/zinc/83/83/56/634838356.db2.gz ZHENQXIXPCECPT-NNPSNHGLSA-N 2 1 290.451 2.430 20 30 CEEDMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1cc(C#N)ccn1 ZINC000903017958 634927345 /nfs/dbraw/zinc/92/73/45/634927345.db2.gz ULVXJMVDVHILTQ-KGLIPLIRSA-N 2 1 272.396 2.336 20 30 CEEDMP Cc1cc(C#N)cc(C)c1C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000903453067 635137190 /nfs/dbraw/zinc/13/71/90/635137190.db2.gz XXHIRSBUDLWPCX-INIZCTEOSA-N 2 1 257.381 2.346 20 30 CEEDMP C=CC[N@H+](Cc1ccccc1)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903723921 635237382 /nfs/dbraw/zinc/23/73/82/635237382.db2.gz ZJVLUADLQCPGSH-ROUUACIJSA-N 2 1 286.419 2.443 20 30 CEEDMP C=CC[C@@H]1CCC[N@@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903765682 635258731 /nfs/dbraw/zinc/25/87/31/635258731.db2.gz KAEYMSAXTYNTQJ-HZPDHXFCSA-N 2 1 278.440 2.433 20 30 CEEDMP C[N@@H+](CCc1cccc(C#N)c1)C[C@@H]1CCCC[NH2+]C1 ZINC000903777835 635266111 /nfs/dbraw/zinc/26/61/11/635266111.db2.gz GNBJBWDUNOPBNU-QGZVFWFLSA-N 2 1 271.408 2.422 20 30 CEEDMP C=C(C[NH+](C)C)C(=O)NC[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC000826659933 635803571 /nfs/dbraw/zinc/80/35/71/635803571.db2.gz HPHUARCFTVSVBY-INIZCTEOSA-N 2 1 293.455 2.018 20 30 CEEDMP C[NH+](C)CC1CC[NH+](Cc2cc(C#N)cnc2Cl)CC1 ZINC000876577070 650341385 /nfs/dbraw/zinc/34/13/85/650341385.db2.gz WGPFRMCEFDLWLF-UHFFFAOYSA-N 2 1 292.814 2.380 20 30 CEEDMP C=CC[NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000997065071 642178626 /nfs/dbraw/zinc/17/86/26/642178626.db2.gz YJKLJZBIDPRZNS-INIZCTEOSA-N 2 1 293.455 2.016 20 30 CEEDMP C=C(C)C[NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC000997367211 642242808 /nfs/dbraw/zinc/24/28/08/642242808.db2.gz XRELCUNSLUHACY-INIZCTEOSA-N 2 1 293.455 2.018 20 30 CEEDMP CCCCCCC[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000852708571 643519742 /nfs/dbraw/zinc/51/97/42/643519742.db2.gz FEZCCKDTUZIDQO-INIZCTEOSA-N 2 1 268.445 2.488 20 30 CEEDMP C=CC[C@H](C)[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000878020810 650975811 /nfs/dbraw/zinc/97/58/11/650975811.db2.gz QMSYOKBFMABAHV-YESZJQIVSA-N 2 1 279.472 2.441 20 30 CEEDMP C[N@H+]1CC[C@H]([NH2+][C@@H]2Cc3ccc(C#N)cc3C2)[C@H]2CCC[C@H]21 ZINC000866617582 647844303 /nfs/dbraw/zinc/84/43/03/647844303.db2.gz LTTKQRLGZDCDJL-AKHDSKFASA-N 2 1 295.430 2.488 20 30 CEEDMP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](Cc2ccc(C#N)o2)C1 ZINC000872144968 649295465 /nfs/dbraw/zinc/29/54/65/649295465.db2.gz JUWFUSMEINQZOB-HNNXBMFYSA-N 2 1 261.369 2.348 20 30 CEEDMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](Cc2ccc(C#N)o2)C1 ZINC000872144968 649295469 /nfs/dbraw/zinc/29/54/69/649295469.db2.gz JUWFUSMEINQZOB-HNNXBMFYSA-N 2 1 261.369 2.348 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](COC)[C@H]2CCCOC2)CC1 ZINC000883187359 652393493 /nfs/dbraw/zinc/39/34/93/652393493.db2.gz MHVUCRGPRHXNSX-DOTOQJQBSA-N 2 1 296.455 2.058 20 30 CEEDMP Cc1[nH+]c(N(C)CC2CC[NH+](C)CC2)ccc1CC#N ZINC001165042060 721937656 /nfs/dbraw/zinc/93/76/56/721937656.db2.gz DFNUOFNHVXFTSE-UHFFFAOYSA-N 2 1 272.396 2.234 20 30 CEEDMP C=CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001271020575 805718031 /nfs/dbraw/zinc/71/80/31/805718031.db2.gz ACFMZGXMEPZUBX-CVEARBPZSA-N 2 1 295.471 2.119 20 30 CEEDMP C=CCCC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CCC)C[C@H]1C ZINC001271447503 805959840 /nfs/dbraw/zinc/95/98/40/805959840.db2.gz KXALJUWZFIZHLB-CVEARBPZSA-N 2 1 295.471 2.121 20 30 CEEDMP C=CC[N@H+](C)C[C@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001266472519 802620034 /nfs/dbraw/zinc/62/00/34/802620034.db2.gz LJHNVPOGQOBUSS-MRXNPFEDSA-N 2 1 295.471 2.075 20 30 CEEDMP C=C(C)C[N@H+](CCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C)C1CC1 ZINC001266621418 802789267 /nfs/dbraw/zinc/78/92/67/802789267.db2.gz DLWHKNZDIDCCMR-HUUCEWRRSA-N 2 1 293.455 2.016 20 30 CEEDMP C=C(C)C[NH2+][C@@H](C)CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001266948734 803016117 /nfs/dbraw/zinc/01/61/17/803016117.db2.gz KPMVYYLLJTZDFC-AWEZNQCLSA-N 2 1 295.471 2.310 20 30 CEEDMP C=CCC[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CCC)CC[C@H]1C ZINC001132437715 812851763 /nfs/dbraw/zinc/85/17/63/812851763.db2.gz XPCLWBKNRNJDKK-CVEARBPZSA-N 2 1 295.471 2.264 20 30 CEEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CCC)CC[C@H]1C ZINC001132437715 812851775 /nfs/dbraw/zinc/85/17/75/812851775.db2.gz XPCLWBKNRNJDKK-CVEARBPZSA-N 2 1 295.471 2.264 20 30 CEEDMP C=CCC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CCC)CC[C@H]1C ZINC001132437715 812851784 /nfs/dbraw/zinc/85/17/84/812851784.db2.gz XPCLWBKNRNJDKK-CVEARBPZSA-N 2 1 295.471 2.264 20 30 CEEDMP C=CCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001267110380 803136692 /nfs/dbraw/zinc/13/66/92/803136692.db2.gz BBADQPOXRVUUQG-HZPDHXFCSA-N 2 1 295.471 2.072 20 30 CEEDMP C=C(C)CC[NH2+]CCCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001167627239 803217556 /nfs/dbraw/zinc/21/75/56/803217556.db2.gz MUUGMXLSKJBJMZ-INIZCTEOSA-N 2 1 295.471 2.311 20 30 CEEDMP C=CCCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001267584046 803569981 /nfs/dbraw/zinc/56/99/81/803569981.db2.gz BGYNFAZUUHFAEG-JKSUJKDBSA-N 2 1 295.471 2.073 20 30 CEEDMP C=CC[N@H+](C)[C@H]1CCCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001027480666 804086910 /nfs/dbraw/zinc/08/69/10/804086910.db2.gz KKMMXNSOYAATQK-HNNXBMFYSA-N 2 1 298.390 2.057 20 30 CEEDMP C=CCC[NH2+]CCCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001268869556 804991407 /nfs/dbraw/zinc/99/14/07/804991407.db2.gz ZYESCHROUHNBRV-INIZCTEOSA-N 2 1 295.471 2.264 20 30 CEEDMP C=CCCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001269129537 805058239 /nfs/dbraw/zinc/05/82/39/805058239.db2.gz MWVSBXKVYPIBHM-HZPDHXFCSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CCCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001269129537 805058250 /nfs/dbraw/zinc/05/82/50/805058250.db2.gz MWVSBXKVYPIBHM-HZPDHXFCSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001269129537 805058260 /nfs/dbraw/zinc/05/82/60/805058260.db2.gz MWVSBXKVYPIBHM-HZPDHXFCSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CCCC[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)CC)[C@@H](C)C1 ZINC001269981126 805302327 /nfs/dbraw/zinc/30/23/27/805302327.db2.gz JVBADJLXSGIAIF-JKSUJKDBSA-N 2 1 295.471 2.264 20 30 CEEDMP C=C(C)CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001270249191 805381806 /nfs/dbraw/zinc/38/18/06/805381806.db2.gz BSILKDPQLFJYOV-CVEARBPZSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)C[NH2+]C1(CNC(=O)C[N@H+](C)CCC)CCCCC1 ZINC001120046438 815191858 /nfs/dbraw/zinc/19/18/58/815191858.db2.gz XSOTYHDFBZNIHX-UHFFFAOYSA-N 2 1 295.471 2.313 20 30 CEEDMP CCCCCCC[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC001171583812 815192571 /nfs/dbraw/zinc/19/25/71/815192571.db2.gz RAARAYARWBXGAJ-OAHLLOKOSA-N 2 1 256.434 2.345 20 30 CEEDMP C=C(C)CC[NH+]1CCCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001034129886 809526393 /nfs/dbraw/zinc/52/63/93/809526393.db2.gz FFZDCNHPZFRJAL-JKSUJKDBSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)CC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001034129886 809526399 /nfs/dbraw/zinc/52/63/99/809526399.db2.gz FFZDCNHPZFRJAL-JKSUJKDBSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)CC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001034129886 809526406 /nfs/dbraw/zinc/52/64/06/809526406.db2.gz FFZDCNHPZFRJAL-JKSUJKDBSA-N 2 1 293.455 2.018 20 30 CEEDMP C[C@@H](Cc1ccc(C#N)cc1)[NH2+]C[C@H]1CC[N@@H+](C)C1 ZINC001172291479 815381911 /nfs/dbraw/zinc/38/19/11/815381911.db2.gz ZCVOCYVBFVDIDF-XJKSGUPXSA-N 2 1 257.381 2.031 20 30 CEEDMP Cc1c[nH+]c(CC[NH3+])n1[C@H](C)Cc1ccc(C#N)cc1 ZINC001172295074 815387270 /nfs/dbraw/zinc/38/72/70/815387270.db2.gz PHYXYTJHKUHDSB-GFCCVEGCSA-N 2 1 268.364 2.368 20 30 CEEDMP C[C@@H]1C[N@@H+](Cc2ccccc2C#N)CCC[C@@H]1C[NH3+] ZINC001205996102 811306645 /nfs/dbraw/zinc/30/66/45/811306645.db2.gz UTVJUPHZRAOFOR-ZIAGYGMSSA-N 2 1 257.381 2.365 20 30 CEEDMP C=CCn1ccc2c1nc[nH+]c2NCC[C@H]1CCC[NH2+]1 ZINC001169559052 811566924 /nfs/dbraw/zinc/56/69/24/811566924.db2.gz YTBIPYZNUFQTGU-GFCCVEGCSA-N 2 1 271.368 2.171 20 30 CEEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)CC[C@H]1C ZINC001132153680 812792233 /nfs/dbraw/zinc/79/22/33/812792233.db2.gz SVUYAUXKAWQHQL-CABCVRRESA-N 2 1 295.471 2.262 20 30 CEEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)CC[C@H]1C ZINC001132153680 812792238 /nfs/dbraw/zinc/79/22/38/812792238.db2.gz SVUYAUXKAWQHQL-CABCVRRESA-N 2 1 295.471 2.262 20 30 CEEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)CC[C@H]1C ZINC001132153680 812792244 /nfs/dbraw/zinc/79/22/44/812792244.db2.gz SVUYAUXKAWQHQL-CABCVRRESA-N 2 1 295.471 2.262 20 30 CEEDMP C=CC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001135477662 813447049 /nfs/dbraw/zinc/44/70/49/813447049.db2.gz VVNXLZGOZNWNJD-KGLIPLIRSA-N 2 1 283.460 2.023 20 30 CEEDMP C=CC[N@@H+]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[C@@H]1C ZINC001071738094 813473704 /nfs/dbraw/zinc/47/37/04/813473704.db2.gz AEPQKQVFZRBFMT-LSDHHAIUSA-N 2 1 293.455 2.016 20 30 CEEDMP C=C(C)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CC[N@H+](C)CCC ZINC001135995824 813583233 /nfs/dbraw/zinc/58/32/33/813583233.db2.gz LNBSWWJQEJFEAC-HUUCEWRRSA-N 2 1 283.460 2.167 20 30 CEEDMP C=CCCCCCC[C@H](O)C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001246035389 813666891 /nfs/dbraw/zinc/66/68/91/813666891.db2.gz RLDTUCJLMGOLSQ-ZACQAIPSSA-N 2 1 280.456 2.415 20 30 CEEDMP C=CCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001146331697 814275105 /nfs/dbraw/zinc/27/51/05/814275105.db2.gz CVXNKJNUWVGDFF-KBPBESRZSA-N 2 1 292.427 2.031 20 30 CEEDMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000037748864 361928840 /nfs/dbraw/zinc/92/88/40/361928840.db2.gz ZVOPWJSXNWXECR-IOASZLSFSA-N 2 1 257.381 2.377 20 30 CEEDMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000037748864 361928844 /nfs/dbraw/zinc/92/88/44/361928844.db2.gz ZVOPWJSXNWXECR-IOASZLSFSA-N 2 1 257.381 2.377 20 30 CEEDMP C=CC[C@H](C)[C@H](C)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000128323579 365783904 /nfs/dbraw/zinc/78/39/04/365783904.db2.gz MYSRWPYMMKCHLM-HOTGVXAUSA-N 2 1 267.461 2.204 20 30 CEEDMP C=CCNC(=[NH2+])NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000066243791 343710060 /nfs/dbraw/zinc/71/00/60/343710060.db2.gz JOHUCJCSXJXOML-INIZCTEOSA-N 2 1 286.423 2.131 20 30 CEEDMP CC[N@H+]1CC[C@H](N(C)Cc2cccc(C#N)n2)[C@@H](C)C1 ZINC000602474955 347049158 /nfs/dbraw/zinc/04/91/58/347049158.db2.gz JULGRQHKVHJGKB-BBRMVZONSA-N 2 1 272.396 2.115 20 30 CEEDMP CC[C@@H]1C[N@H+](Cc2ccc(C#N)c(OC)c2)CC[C@@H]1[NH3+] ZINC000233957489 344582794 /nfs/dbraw/zinc/58/27/94/344582794.db2.gz IEQNZTXKQCSHEQ-HIFRSBDPSA-N 2 1 273.380 2.126 20 30 CEEDMP CC[C@@H]1C[N@@H+](Cc2ccc(C#N)c(OC)c2)CC[C@@H]1[NH3+] ZINC000233957489 344582796 /nfs/dbraw/zinc/58/27/96/344582796.db2.gz IEQNZTXKQCSHEQ-HIFRSBDPSA-N 2 1 273.380 2.126 20 30 CEEDMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)CC2(C#N)CCOCC2)C1 ZINC000602533036 347068765 /nfs/dbraw/zinc/06/87/65/347068765.db2.gz YMUISWNGYYBNNO-HZPDHXFCSA-N 2 1 293.455 2.407 20 30 CEEDMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)CC2(C#N)CCOCC2)C1 ZINC000602525052 347066009 /nfs/dbraw/zinc/06/60/09/347066009.db2.gz QCEPFMNLCPQKJN-HOTGVXAUSA-N 2 1 293.455 2.407 20 30 CEEDMP N#Cc1cccc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c1 ZINC000593314277 345465408 /nfs/dbraw/zinc/46/54/08/345465408.db2.gz BOFKHBVYSJWTDX-KSZLIROESA-N 2 1 299.418 2.277 20 30 CEEDMP N#Cc1cccc(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)c1 ZINC000593322864 345466627 /nfs/dbraw/zinc/46/66/27/345466627.db2.gz PFPJHJYVMJQFHB-KZNAEPCWSA-N 2 1 299.418 2.419 20 30 CEEDMP N#CCCCC[C@@H]([NH3+])c1nc(-c2ccc(C[NH3+])cc2)no1 ZINC000593943869 345554368 /nfs/dbraw/zinc/55/43/68/345554368.db2.gz QJSIZZKWABDGEC-CYBMUJFWSA-N 2 1 285.351 2.279 20 30 CEEDMP N#C[C@@H]1CC[C@H]([NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)C1 ZINC000595073181 345739252 /nfs/dbraw/zinc/73/92/52/345739252.db2.gz SXMODRFFERNGTB-FGTMMUONSA-N 2 1 299.418 2.035 20 30 CEEDMP CC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(C#N)cc2)[C@H](C)C1 ZINC000595058177 345736915 /nfs/dbraw/zinc/73/69/15/345736915.db2.gz YWNIXURSPUQTLS-RHSMWYFYSA-N 2 1 271.408 2.421 20 30 CEEDMP C[C@@H]1C[C@H](C)[N@@H+](CCc2ccc(C#N)cc2)C[C@H]1C[NH3+] ZINC000595891117 345907593 /nfs/dbraw/zinc/90/75/93/345907593.db2.gz ALTMNOVBUFPBQG-JKIFEVAISA-N 2 1 271.408 2.406 20 30 CEEDMP N#Cc1ccc(CC[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000595895804 345909622 /nfs/dbraw/zinc/90/96/22/345909622.db2.gz VTXDJKKJGMMDFS-ROUUACIJSA-N 2 1 283.419 2.422 20 30 CEEDMP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2cnc3ccc(C#N)cn23)C1 ZINC000598995189 346443486 /nfs/dbraw/zinc/44/34/86/346443486.db2.gz VQXPNZYRBWBIML-OAHLLOKOSA-N 2 1 297.406 2.027 20 30 CEEDMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2cnc3ccc(C#N)cn23)C1 ZINC000598995189 346443489 /nfs/dbraw/zinc/44/34/89/346443489.db2.gz VQXPNZYRBWBIML-OAHLLOKOSA-N 2 1 297.406 2.027 20 30 CEEDMP C[N@H+](Cc1ccc(C#N)cc1)CC1CC[NH+](C)CC1 ZINC000063120751 362750046 /nfs/dbraw/zinc/75/00/46/362750046.db2.gz OZDPHMSPJFXIRI-UHFFFAOYSA-N 2 1 257.381 2.332 20 30 CEEDMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H](C)CC2(C#N)CCOCC2)C1 ZINC000602654475 347125612 /nfs/dbraw/zinc/12/56/12/347125612.db2.gz BVONIFKKQIWWBC-JKSUJKDBSA-N 2 1 293.455 2.405 20 30 CEEDMP C[NH+](C)C[C@@]1(O)CCC[N@H+](CCC2(C#N)CCCCC2)C1 ZINC000602875855 347235038 /nfs/dbraw/zinc/23/50/38/347235038.db2.gz BCOCVAYABRKKOV-KRWDZBQOSA-N 2 1 293.455 2.239 20 30 CEEDMP C[NH+](C)C[C@@]1(O)CCC[N@@H+](CCC2(C#N)CCCCC2)C1 ZINC000602875855 347235042 /nfs/dbraw/zinc/23/50/42/347235042.db2.gz BCOCVAYABRKKOV-KRWDZBQOSA-N 2 1 293.455 2.239 20 30 CEEDMP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623554159 350048923 /nfs/dbraw/zinc/04/89/23/350048923.db2.gz TXTRTWTWCCAEBD-MJBXVCDLSA-N 2 1 252.402 2.040 20 30 CEEDMP C=CC(C)(C)CC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000624037099 350176260 /nfs/dbraw/zinc/17/62/60/350176260.db2.gz LWMSYLAPHUBJIV-HNNXBMFYSA-N 2 1 266.429 2.432 20 30 CEEDMP C=CC[C@H]1CC[NH+](CC(O)C[N@H+]2CC[C@H](CC=C)C2)C1 ZINC000625701357 350550606 /nfs/dbraw/zinc/55/06/06/350550606.db2.gz JJHQFAJVGCOYNK-HOTGVXAUSA-N 2 1 278.440 2.143 20 30 CEEDMP C=CCC1([NH2+]CCC(=O)N2CC[NH+](C)CC2)CCCCC1 ZINC000625934679 350608728 /nfs/dbraw/zinc/60/87/28/350608728.db2.gz WSWATWCGMZNMTQ-UHFFFAOYSA-N 2 1 293.455 2.019 20 30 CEEDMP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3cccc(C#N)c3)C2)C1 ZINC000292268721 198224762 /nfs/dbraw/zinc/22/47/62/198224762.db2.gz ZHRSLTMKWICKLG-MRXNPFEDSA-N 2 1 255.365 2.086 20 30 CEEDMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3cccc(C#N)c3)C2)C1 ZINC000292268721 198224763 /nfs/dbraw/zinc/22/47/63/198224763.db2.gz ZHRSLTMKWICKLG-MRXNPFEDSA-N 2 1 255.365 2.086 20 30 CEEDMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3cccc(C#N)c3)C2)C1 ZINC000292268721 198224765 /nfs/dbraw/zinc/22/47/65/198224765.db2.gz ZHRSLTMKWICKLG-MRXNPFEDSA-N 2 1 255.365 2.086 20 30 CEEDMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3cccc(C#N)c3)C2)C1 ZINC000292268721 198224767 /nfs/dbraw/zinc/22/47/67/198224767.db2.gz ZHRSLTMKWICKLG-MRXNPFEDSA-N 2 1 255.365 2.086 20 30 CEEDMP C=CCc1cc(C[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)cc(OC)c1O ZINC000578244828 366467454 /nfs/dbraw/zinc/46/74/54/366467454.db2.gz OGCNWGFQDDHBGY-SWLSCSKDSA-N 2 1 290.407 2.441 20 30 CEEDMP C=CCc1cc(C[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)cc(OC)c1O ZINC000578244828 366467457 /nfs/dbraw/zinc/46/74/57/366467457.db2.gz OGCNWGFQDDHBGY-SWLSCSKDSA-N 2 1 290.407 2.441 20 30 CEEDMP CC[NH+]1CCN([C@H]2CC[N@@H+](CC(C)(C)CCC#N)C2)CC1 ZINC000093133451 364143224 /nfs/dbraw/zinc/14/32/24/364143224.db2.gz XNGMVNGQRXMDNI-INIZCTEOSA-N 2 1 292.471 2.028 20 30 CEEDMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000334672864 364161683 /nfs/dbraw/zinc/16/16/83/364161683.db2.gz YIIYGNVOYDZWJE-NHYWBVRUSA-N 2 1 261.344 2.127 20 30 CEEDMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000334672864 364161688 /nfs/dbraw/zinc/16/16/88/364161688.db2.gz YIIYGNVOYDZWJE-NHYWBVRUSA-N 2 1 261.344 2.127 20 30 CEEDMP C[N@@H+](CCCNC(=[NH2+])Nc1ccccn1)Cc1ccccc1 ZINC000170908659 367445055 /nfs/dbraw/zinc/44/50/55/367445055.db2.gz SSIGBGNTWVJERU-UHFFFAOYSA-N 2 1 297.406 2.330 20 30 CEEDMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)c3ccc(C#N)cc3)CC[C@H]21 ZINC000246389562 370955057 /nfs/dbraw/zinc/95/50/57/370955057.db2.gz ASMVCADYTPYNLL-KZNAEPCWSA-N 2 1 299.418 2.008 20 30 CEEDMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H](O)c3ccc(C#N)cc3)CC[C@H]21 ZINC000246389562 370955062 /nfs/dbraw/zinc/95/50/62/370955062.db2.gz ASMVCADYTPYNLL-KZNAEPCWSA-N 2 1 299.418 2.008 20 30 CEEDMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H](O)c3ccc(C#N)cc3)CC[C@H]21 ZINC000246389562 370955065 /nfs/dbraw/zinc/95/50/65/370955065.db2.gz ASMVCADYTPYNLL-KZNAEPCWSA-N 2 1 299.418 2.008 20 30 CEEDMP C[C@@H]1CCCC[N@H+]1CCCNCc1cc(C#N)n(C)c1 ZINC000189574969 369540190 /nfs/dbraw/zinc/54/01/90/369540190.db2.gz ZYPCAITVWMEQLS-CQSZACIVSA-N 2 1 274.412 2.251 20 30 CEEDMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cc(C#N)n(C)c1 ZINC000189574969 369540196 /nfs/dbraw/zinc/54/01/96/369540196.db2.gz ZYPCAITVWMEQLS-CQSZACIVSA-N 2 1 274.412 2.251 20 30 CEEDMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1cc(C#N)n(C)c1 ZINC000189574969 369540201 /nfs/dbraw/zinc/54/02/01/369540201.db2.gz ZYPCAITVWMEQLS-CQSZACIVSA-N 2 1 274.412 2.251 20 30 CEEDMP C=CC[NH+]1CCC([NH2+]C[C@H](OC)[C@@H](C)CC)CC1 ZINC000638524384 370590293 /nfs/dbraw/zinc/59/02/93/370590293.db2.gz NAVAZOVHOWLKLS-ZFWWWQNUSA-N 2 1 254.418 2.288 20 30 CEEDMP C=CC[NH+]1CCC([NH2+]CC2CCSCC2)CC1 ZINC000638524032 370590301 /nfs/dbraw/zinc/59/03/01/370590301.db2.gz ISECYHIEXONCFZ-UHFFFAOYSA-N 2 1 254.443 2.370 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](OC)C2CC2)CC1 ZINC000638524887 370590392 /nfs/dbraw/zinc/59/03/92/370590392.db2.gz UNXQJRLFXAHOQH-HNNXBMFYSA-N 2 1 252.402 2.042 20 30 CEEDMP C=C(CC)C[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000358505396 371094745 /nfs/dbraw/zinc/09/47/45/371094745.db2.gz HPMDRUIFSRNXFI-CALCHBBNSA-N 2 1 279.472 2.443 20 30 CEEDMP Cc1[nH+]ccn1CCCNC(=[NH2+])Nc1ccccc1 ZINC000264065554 371960986 /nfs/dbraw/zinc/96/09/86/371960986.db2.gz AYUALFZOKOMUGR-UHFFFAOYSA-N 2 1 257.341 2.008 20 30 CEEDMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCc3ccc(C#N)cc32)C1 ZINC000353429893 220077028 /nfs/dbraw/zinc/07/70/28/220077028.db2.gz VDIMEIAZVUVNKF-RHSMWYFYSA-N 2 1 269.392 2.477 20 30 CEEDMP C=CCSCC[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000368424586 373240250 /nfs/dbraw/zinc/24/02/50/373240250.db2.gz LWULOTCKXLUOFK-OWCLPIDISA-N 2 1 298.496 2.385 20 30 CEEDMP C=CCCC[N@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371421977 373877732 /nfs/dbraw/zinc/87/77/32/373877732.db2.gz CHASTLCMFVWFMY-MRXNPFEDSA-N 2 1 265.445 2.053 20 30 CEEDMP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(C#N)cc1 ZINC000275057349 374142406 /nfs/dbraw/zinc/14/24/06/374142406.db2.gz XUHQJHQCHQRPRT-XJKSGUPXSA-N 2 1 257.381 2.330 20 30 CEEDMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(C#N)cc1 ZINC000275057349 374142414 /nfs/dbraw/zinc/14/24/14/374142414.db2.gz XUHQJHQCHQRPRT-XJKSGUPXSA-N 2 1 257.381 2.330 20 30 CEEDMP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(C#N)cc1 ZINC000275057349 374142420 /nfs/dbraw/zinc/14/24/20/374142420.db2.gz XUHQJHQCHQRPRT-XJKSGUPXSA-N 2 1 257.381 2.330 20 30 CEEDMP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000275057349 374142426 /nfs/dbraw/zinc/14/24/26/374142426.db2.gz XUHQJHQCHQRPRT-XJKSGUPXSA-N 2 1 257.381 2.330 20 30 CEEDMP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000436289866 377822672 /nfs/dbraw/zinc/82/26/72/377822672.db2.gz IKPZYESMSCNASW-QCODTGAPSA-N 2 1 266.429 2.286 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@H](c1cccnc1)C1CCC1 ZINC000294898636 378028137 /nfs/dbraw/zinc/02/81/37/378028137.db2.gz FJTKFVJDDNFOCW-KRWDZBQOSA-N 2 1 271.408 2.468 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](c1cccnc1)C1CCC1 ZINC000294898636 378028144 /nfs/dbraw/zinc/02/81/44/378028144.db2.gz FJTKFVJDDNFOCW-KRWDZBQOSA-N 2 1 271.408 2.468 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)Cc1ccc(F)cc1 ZINC000295095310 378041740 /nfs/dbraw/zinc/04/17/40/378041740.db2.gz VHCLFDZDJIFEJD-CQSZACIVSA-N 2 1 262.372 2.301 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)Cc1ccc(F)cc1 ZINC000295095310 378041746 /nfs/dbraw/zinc/04/17/46/378041746.db2.gz VHCLFDZDJIFEJD-CQSZACIVSA-N 2 1 262.372 2.301 20 30 CEEDMP COc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1C#N ZINC000300196421 379155192 /nfs/dbraw/zinc/15/51/92/379155192.db2.gz INHKMSVTZSJYFS-HOTGVXAUSA-N 2 1 285.391 2.283 20 30 CEEDMP COc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)ccc1C#N ZINC000300196421 379155199 /nfs/dbraw/zinc/15/51/99/379155199.db2.gz INHKMSVTZSJYFS-HOTGVXAUSA-N 2 1 285.391 2.283 20 30 CEEDMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(C#N)cc1F ZINC000530354878 380201220 /nfs/dbraw/zinc/20/12/20/380201220.db2.gz XSUOXKHBOBTFGD-NSHDSACASA-N 2 1 272.327 2.324 20 30 CEEDMP C[C@H](C(=O)N[C@H]1CCc2nc[nH]c2C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000328916684 394556241 /nfs/dbraw/zinc/55/62/41/394556241.db2.gz APEBJQPDALROOJ-XQHKEYJVSA-N 2 1 290.411 2.485 20 30 CEEDMP C[C@@H](CNC(=[NH2+])Nc1cccc2c1CCCC2)[NH+](C)C ZINC000267307580 394675904 /nfs/dbraw/zinc/67/59/04/394675904.db2.gz NBECYNDLSHXOFX-LBPRGKRZSA-N 2 1 274.412 2.242 20 30 CEEDMP CC[N@H+]1CCCC[C@H]1CNC(=[NH2+])Nc1ccc(OC)cc1 ZINC000267439685 394679592 /nfs/dbraw/zinc/67/95/92/394679592.db2.gz OTMVMYBQJXTMKA-AWEZNQCLSA-N 2 1 290.411 2.296 20 30 CEEDMP C=CCNC(=O)[C@H](C)[NH2+][C@H]1CCCC[C@@H]1C[NH+](CC)CC ZINC000360957412 394811118 /nfs/dbraw/zinc/81/11/18/394811118.db2.gz MHSGNAQYNWYNIO-XHSDSOJGSA-N 2 1 295.471 2.167 20 30 CEEDMP C=CCC[C@H](O)C[NH+]1CCC([N@H+]2CCC[C@@H]2C)CC1 ZINC000361187557 394819001 /nfs/dbraw/zinc/81/90/01/394819001.db2.gz AGWBOKYKWKJMOO-HOCLYGCPSA-N 2 1 266.429 2.262 20 30 CEEDMP C=CCC[C@H](O)C[NH+]1CCC([N@@H+]2CCC[C@@H]2C)CC1 ZINC000361187557 394819004 /nfs/dbraw/zinc/81/90/04/394819004.db2.gz AGWBOKYKWKJMOO-HOCLYGCPSA-N 2 1 266.429 2.262 20 30 CEEDMP C=C(C)C[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000286038339 395004171 /nfs/dbraw/zinc/00/41/71/395004171.db2.gz QPRPCIICQUMHCJ-LJQANCHMSA-N 2 1 299.462 2.455 20 30 CEEDMP C=C(C)C[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000286038339 395004175 /nfs/dbraw/zinc/00/41/75/395004175.db2.gz QPRPCIICQUMHCJ-LJQANCHMSA-N 2 1 299.462 2.455 20 30 CEEDMP C[NH+](C)[C@H]1CCC[N@@H+](CCCSCC#N)CC1 ZINC000372988671 395051128 /nfs/dbraw/zinc/05/11/28/395051128.db2.gz FPPYGQTYQKKPSP-ZDUSSCGKSA-N 2 1 255.431 2.049 20 30 CEEDMP C#Cc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000289221487 395072863 /nfs/dbraw/zinc/07/28/63/395072863.db2.gz JJJFXMOUNLKRBH-DLBZAZTESA-N 2 1 254.377 2.384 20 30 CEEDMP C#Cc1ccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000289221487 395072865 /nfs/dbraw/zinc/07/28/65/395072865.db2.gz JJJFXMOUNLKRBH-DLBZAZTESA-N 2 1 254.377 2.384 20 30 CEEDMP C=CCOc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000427100375 395091799 /nfs/dbraw/zinc/09/17/99/395091799.db2.gz KWDTXUCDPXNZKU-RDJZCZTQSA-N 2 1 272.392 2.435 20 30 CEEDMP C=CCOc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000427100375 395091804 /nfs/dbraw/zinc/09/18/04/395091804.db2.gz KWDTXUCDPXNZKU-RDJZCZTQSA-N 2 1 272.392 2.435 20 30 CEEDMP C=CCOc1cccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000346859475 395110524 /nfs/dbraw/zinc/11/05/24/395110524.db2.gz SDVYOSFTACMICH-USXIJHARSA-N 2 1 272.392 2.421 20 30 CEEDMP C[C@@H](CCC#N)[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000351274490 395198275 /nfs/dbraw/zinc/19/82/75/395198275.db2.gz ZHNHQDHEUBEREF-YESZJQIVSA-N 2 1 292.471 2.169 20 30 CEEDMP C[C@@H](CCC#N)[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000351274490 395198277 /nfs/dbraw/zinc/19/82/77/395198277.db2.gz ZHNHQDHEUBEREF-YESZJQIVSA-N 2 1 292.471 2.169 20 30 CEEDMP C=CC[C@H](C)[C@@H](C)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000442861206 395396117 /nfs/dbraw/zinc/39/61/17/395396117.db2.gz DBBVLZNZJTXRRO-LSDHHAIUSA-N 2 1 267.461 2.203 20 30 CEEDMP C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCc3ccc(C#N)cc32)C1 ZINC000569040010 395572716 /nfs/dbraw/zinc/57/27/16/395572716.db2.gz PYLOABWVPKKNIV-YOEHRIQHSA-N 2 1 269.392 2.477 20 30 CEEDMP N#Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@@H]3C2)cc1 ZINC000363117380 156001907 /nfs/dbraw/zinc/00/19/07/156001907.db2.gz HEOYGTOWZMCNRE-KURKYZTESA-N 2 1 281.403 2.474 20 30 CEEDMP N#Cc1ccc(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@@H]3C2)cc1 ZINC000363117380 156001912 /nfs/dbraw/zinc/00/19/12/156001912.db2.gz HEOYGTOWZMCNRE-KURKYZTESA-N 2 1 281.403 2.474 20 30 CEEDMP N#Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)cc1 ZINC000363117380 156001916 /nfs/dbraw/zinc/00/19/16/156001916.db2.gz HEOYGTOWZMCNRE-KURKYZTESA-N 2 1 281.403 2.474 20 30 CEEDMP N#Cc1ccc(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)cc1 ZINC000363117380 156001921 /nfs/dbraw/zinc/00/19/21/156001921.db2.gz HEOYGTOWZMCNRE-KURKYZTESA-N 2 1 281.403 2.474 20 30 CEEDMP C=CCOCCC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000658206101 415256269 /nfs/dbraw/zinc/25/62/69/415256269.db2.gz MIMJZKAYRCDYLR-RBSFLKMASA-N 2 1 252.402 2.042 20 30 CEEDMP C=CC[C@@H](C)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655730239 415419413 /nfs/dbraw/zinc/41/94/13/415419413.db2.gz NPRFTZKXXJLNMY-UKRRQHHQSA-N 2 1 252.402 2.184 20 30 CEEDMP C=CCC(C)(C)C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655770795 415451711 /nfs/dbraw/zinc/45/17/11/415451711.db2.gz PMCNFTFBJRAROC-HNNXBMFYSA-N 2 1 266.429 2.432 20 30 CEEDMP C=CCc1cc(C[NH2+]CC2([NH3+])CCCC2)cc(OC)c1O ZINC000656788174 415862707 /nfs/dbraw/zinc/86/27/07/415862707.db2.gz FYPZLAZIBUXPRI-UHFFFAOYSA-N 2 1 290.407 2.490 20 30 CEEDMP CCCNC(=[NH2+])NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000187056104 262122488 /nfs/dbraw/zinc/12/24/88/262122488.db2.gz AXRNSJOKMRJOJZ-INIZCTEOSA-N 2 1 288.439 2.211 20 30 CEEDMP C=C(C)C[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000364339999 262209698 /nfs/dbraw/zinc/20/96/98/262209698.db2.gz FNIAQTUGVIVSAZ-RRFJBIMHSA-N 2 1 252.402 2.042 20 30 CEEDMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCC[C@@H]3O[C@H](CC#N)C[C@@H]32)CC1 ZINC000366691516 263132507 /nfs/dbraw/zinc/13/25/07/263132507.db2.gz BSBROURUULZYLB-VQHPVUNQSA-N 2 1 289.423 2.078 20 30 CEEDMP C=CCOc1ccccc1C[NH2+][C@H]1CC[NH2+][C@@H](C)C1 ZINC000414943604 263153058 /nfs/dbraw/zinc/15/30/58/263153058.db2.gz FOXJREHGEYMWEB-ZFWWWQNUSA-N 2 1 260.381 2.482 20 30 CEEDMP C[C@H]([NH2+][C@@H]1CCc2[nH+]ccn2C1)c1ccc(C#N)s1 ZINC000375843473 279521455 /nfs/dbraw/zinc/52/14/55/279521455.db2.gz SHOOKWNEPPTWJK-WDEREUQCSA-N 2 1 272.377 2.482 20 30 CEEDMP CCN(C[C@H](O)C[N@@H+](C)CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000571266195 314080629 /nfs/dbraw/zinc/08/06/29/314080629.db2.gz GGIMRXUEIHQYPY-WMLDXEAASA-N 2 1 289.423 2.254 20 30 CEEDMP CCN(C)C[C@@H](O)C[N@H+](CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000571266195 314080632 /nfs/dbraw/zinc/08/06/32/314080632.db2.gz GGIMRXUEIHQYPY-WMLDXEAASA-N 2 1 289.423 2.254 20 30 CEEDMP CCN(C)C[C@@H](O)C[N@@H+](CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000571266195 314080635 /nfs/dbraw/zinc/08/06/35/314080635.db2.gz GGIMRXUEIHQYPY-WMLDXEAASA-N 2 1 289.423 2.254 20 30 CEEDMP C#CCC[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000378321957 329046057 /nfs/dbraw/zinc/04/60/57/329046057.db2.gz CCTOMFZZXHEDMK-UHFFFAOYSA-N 2 1 291.483 2.138 20 30 CEEDMP C#CCC[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000378321957 329046058 /nfs/dbraw/zinc/04/60/58/329046058.db2.gz CCTOMFZZXHEDMK-UHFFFAOYSA-N 3 1 291.483 2.138 20 30 CEEDMP C#CCC[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000378321957 329046059 /nfs/dbraw/zinc/04/60/59/329046059.db2.gz CCTOMFZZXHEDMK-UHFFFAOYSA-N 3 1 291.483 2.138 20 30 CEEDMP Cc1ccc(NC(=[NH2+])N[C@H]2CCn3cc[nH+]c3C2)cc1C ZINC000262468268 330015154 /nfs/dbraw/zinc/01/51/54/330015154.db2.gz MXQIRHPQEPSLCI-AWEZNQCLSA-N 2 1 283.379 2.242 20 30 CEEDMP [NH2+]=C(Nc1ccc2c(c1)CCC2)N[C@H]1CCn2cc[nH+]c2C1 ZINC000262477337 330016345 /nfs/dbraw/zinc/01/63/45/330016345.db2.gz QGBUGPREPXVOLI-HNNXBMFYSA-N 2 1 295.390 2.113 20 30 CEEDMP CN1CC[NH+]=C1NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000262673520 330025979 /nfs/dbraw/zinc/02/59/79/330025979.db2.gz SCOZYDHSHDBXFV-TZMCWYRMSA-N 2 1 292.452 2.022 20 30 CEEDMP C=C(C)CNC(=[NH2+])NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000262794037 330032023 /nfs/dbraw/zinc/03/20/23/330032023.db2.gz LIQLHZCEEXSNPU-OAHLLOKOSA-N 2 1 278.444 2.264 20 30 CEEDMP CC[NH+]=C(NCC1(C)CCCC1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000262799319 330032268 /nfs/dbraw/zinc/03/22/68/330032268.db2.gz QLHGSIBFVMPCRB-CQSZACIVSA-N 2 1 292.471 2.359 20 30 CEEDMP CC[NH+]=C(NCC1(C)CCCC1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000262799319 330032269 /nfs/dbraw/zinc/03/22/69/330032269.db2.gz QLHGSIBFVMPCRB-CQSZACIVSA-N 2 1 292.471 2.359 20 30 CEEDMP N#C[C@@H]1CCC[C@H]([NH2+]CCC[NH2+]Cc2cccnc2)C1 ZINC000423183301 330175406 /nfs/dbraw/zinc/17/54/06/330175406.db2.gz GEDOGZSXGUTDFJ-ZBFHGGJFSA-N 2 1 272.396 2.233 20 30 CEEDMP C=C[C@H]1CCCCN1C[C@H](O)C[N@H+]1CCCC[C@H]1C=C ZINC000489499647 332056985 /nfs/dbraw/zinc/05/69/85/332056985.db2.gz SQRPKTNJZIZFIY-BJWYYQGGSA-N 2 1 278.440 2.428 20 30 CEEDMP C=C[C@H]1CCCC[N@H+]1C[C@H](O)CN1CCCC[C@H]1C=C ZINC000489499647 332056986 /nfs/dbraw/zinc/05/69/86/332056986.db2.gz SQRPKTNJZIZFIY-BJWYYQGGSA-N 2 1 278.440 2.428 20 30 CEEDMP C=C[C@H]1CCCC[N@@H+]1C[C@H](O)CN1CCCC[C@H]1C=C ZINC000489499647 332056987 /nfs/dbraw/zinc/05/69/87/332056987.db2.gz SQRPKTNJZIZFIY-BJWYYQGGSA-N 2 1 278.440 2.428 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000491209497 332166243 /nfs/dbraw/zinc/16/62/43/332166243.db2.gz IALAJBDNLZMUFP-VBKZILBWSA-N 2 1 292.448 2.030 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000491209497 332166245 /nfs/dbraw/zinc/16/62/45/332166245.db2.gz IALAJBDNLZMUFP-VBKZILBWSA-N 2 1 292.448 2.030 20 30 CEEDMP C[C@H](c1ccncc1)N1CCC([NH2+]CCC#N)CC1 ZINC000581066933 336003008 /nfs/dbraw/zinc/00/30/08/336003008.db2.gz NZDYFFARCCWTDZ-CYBMUJFWSA-N 2 1 258.369 2.110 20 30 CEEDMP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352866490 526783056 /nfs/dbraw/zinc/78/30/56/526783056.db2.gz LTHGIPSDWMZBEM-DOMZBBRYSA-N 2 1 295.452 2.276 20 30 CEEDMP C=CCOc1cccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)c1 ZINC000347040592 526900179 /nfs/dbraw/zinc/90/01/79/526900179.db2.gz KRZOVJPKHASBFS-XJKSGUPXSA-N 2 1 260.381 2.421 20 30 CEEDMP C=CCC[NH+]1CC(N(CC)C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000950890615 613480687 /nfs/dbraw/zinc/48/06/87/613480687.db2.gz OGYNTIOPUPXTST-UHFFFAOYSA-N 2 1 298.390 2.057 20 30 CEEDMP C=C(C)C[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001024513078 625591675 /nfs/dbraw/zinc/59/16/75/625591675.db2.gz NCYIFNQDUFDMJZ-CVEARBPZSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)C[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001024513078 625591677 /nfs/dbraw/zinc/59/16/77/625591677.db2.gz NCYIFNQDUFDMJZ-CVEARBPZSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001024513078 625591684 /nfs/dbraw/zinc/59/16/84/625591684.db2.gz NCYIFNQDUFDMJZ-CVEARBPZSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001024513078 625591686 /nfs/dbraw/zinc/59/16/86/625591686.db2.gz NCYIFNQDUFDMJZ-CVEARBPZSA-N 2 1 293.455 2.018 20 30 CEEDMP C[C@@H](CC(C)(C)C#N)[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000925023110 629369478 /nfs/dbraw/zinc/36/94/78/629369478.db2.gz KWTYLDVWYYHKQE-GJZGRUSLSA-N 2 1 281.444 2.141 20 30 CEEDMP C[N@H+]1CCC[C@]2(CCN(C[C@@H](O)c3ccc(C#N)cc3)C2)C1 ZINC000815146802 632971826 /nfs/dbraw/zinc/97/18/26/632971826.db2.gz UBORSJGSZLCZML-MSOLQXFVSA-N 2 1 299.418 2.009 20 30 CEEDMP C[NH+]1CCC[C@]2(CC[N@H+](C[C@@H](O)c3ccc(C#N)cc3)C2)C1 ZINC000815146802 632971837 /nfs/dbraw/zinc/97/18/37/632971837.db2.gz UBORSJGSZLCZML-MSOLQXFVSA-N 2 1 299.418 2.009 20 30 CEEDMP C[NH+]1CCC[C@]2(CC[N@@H+](C[C@@H](O)c3ccc(C#N)cc3)C2)C1 ZINC000815146802 632971838 /nfs/dbraw/zinc/97/18/38/632971838.db2.gz UBORSJGSZLCZML-MSOLQXFVSA-N 2 1 299.418 2.009 20 30 CEEDMP Cc1cc(C#N)cc(C)c1C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000903421402 635123178 /nfs/dbraw/zinc/12/31/78/635123178.db2.gz NVCFPXVNGBAJMJ-CQSZACIVSA-N 2 1 257.381 2.346 20 30 CEEDMP C[N@H+](Cc1cc(Cl)cc(C#N)c1)C1CC[NH2+]CC1 ZINC000903421715 635123323 /nfs/dbraw/zinc/12/33/23/635123323.db2.gz SBEOGDRUHVTYFS-UHFFFAOYSA-N 2 1 263.772 2.395 20 30 CEEDMP C[N@@H+](Cc1cc(Cl)cc(C#N)c1)C1CC[NH2+]CC1 ZINC000903421715 635123327 /nfs/dbraw/zinc/12/33/27/635123327.db2.gz SBEOGDRUHVTYFS-UHFFFAOYSA-N 2 1 263.772 2.395 20 30 CEEDMP C=CC[C@@H]1CCC[N@H+](C[C@H](C[NH3+])Cc2cnn(C)c2C)C1 ZINC000903933795 635359452 /nfs/dbraw/zinc/35/94/52/635359452.db2.gz VNOUTHNHCLNKGH-CVEARBPZSA-N 2 1 290.455 2.134 20 30 CEEDMP N#CC1CCC([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000877031964 650539418 /nfs/dbraw/zinc/53/94/18/650539418.db2.gz YADUBCKAHBKMDH-DQPZFDDXSA-N 2 1 291.439 2.302 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846169248 641210635 /nfs/dbraw/zinc/21/06/35/641210635.db2.gz GBCUUKKSJCGXIM-CYBMUJFWSA-N 2 1 276.380 2.007 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846169248 641210640 /nfs/dbraw/zinc/21/06/40/641210640.db2.gz GBCUUKKSJCGXIM-CYBMUJFWSA-N 2 1 276.380 2.007 20 30 CEEDMP C[NH+]=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)NC1CC1 ZINC000849025854 642239610 /nfs/dbraw/zinc/23/96/10/642239610.db2.gz FZHHYMNRBVSQSP-HNNXBMFYSA-N 2 1 278.444 2.111 20 30 CEEDMP C=CCC(C)(C)CNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC ZINC000849031120 642243780 /nfs/dbraw/zinc/24/37/80/642243780.db2.gz UXFBUOKFQWUBIE-CYBMUJFWSA-N 2 1 266.433 2.187 20 30 CEEDMP C=C(C)C[NH2+][C@H]1CCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000999403049 642487468 /nfs/dbraw/zinc/48/74/68/642487468.db2.gz ULBFKXUEDHZVIE-HOTGVXAUSA-N 2 1 293.455 2.018 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+]Cc1c(C)cc(C#N)cc1C ZINC000922147316 642906185 /nfs/dbraw/zinc/90/61/85/642906185.db2.gz RTZHUMZIIJXQMX-UHFFFAOYSA-N 2 1 269.392 2.220 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1c(C)cc(C#N)cc1C ZINC000922147316 642906191 /nfs/dbraw/zinc/90/61/91/642906191.db2.gz RTZHUMZIIJXQMX-UHFFFAOYSA-N 2 1 269.392 2.220 20 30 CEEDMP C=CCC[C@H](O)C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000923388056 643693031 /nfs/dbraw/zinc/69/30/31/643693031.db2.gz NAWJILFOZRWIGS-HOTGVXAUSA-N 2 1 266.429 2.025 20 30 CEEDMP Cc1cc(C[NH+]2CC[C@@H]3[C@H](CC[N@H+]3C)C2)ccc1C#N ZINC000877740654 650884259 /nfs/dbraw/zinc/88/42/59/650884259.db2.gz KXXYARNIHZRFRQ-IAGOWNOFSA-N 2 1 269.392 2.393 20 30 CEEDMP Cc1cc(C[NH+]2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)ccc1C#N ZINC000877740654 650884263 /nfs/dbraw/zinc/88/42/63/650884263.db2.gz KXXYARNIHZRFRQ-IAGOWNOFSA-N 2 1 269.392 2.393 20 30 CEEDMP Cc1cc(C[N@@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)ccc1C#N ZINC000877740654 650884265 /nfs/dbraw/zinc/88/42/65/650884265.db2.gz KXXYARNIHZRFRQ-IAGOWNOFSA-N 2 1 269.392 2.393 20 30 CEEDMP Cc1cc(C[N@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)ccc1C#N ZINC000877740654 650884267 /nfs/dbraw/zinc/88/42/67/650884267.db2.gz KXXYARNIHZRFRQ-IAGOWNOFSA-N 2 1 269.392 2.393 20 30 CEEDMP C[N@@H+](CC#Cc1ccccc1)CC1CC[NH+](C)CC1 ZINC000792222597 648627824 /nfs/dbraw/zinc/62/78/24/648627824.db2.gz WGGXDSTYQQFCRQ-UHFFFAOYSA-N 2 1 256.393 2.312 20 30 CEEDMP C=C(Cl)C[C@@H]([NH3+])c1nc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)no1 ZINC000871801664 649191641 /nfs/dbraw/zinc/19/16/41/649191641.db2.gz VBPQGMXVNGDPDS-HUAZRZQGSA-N 2 1 282.775 2.210 20 30 CEEDMP C=CCOc1cccc(C[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)c1 ZINC000873227535 649599425 /nfs/dbraw/zinc/59/94/25/649599425.db2.gz IZIZKUXRQRXMSQ-DOTOQJQBSA-N 2 1 272.392 2.293 20 30 CEEDMP C=CCOc1cccc(C[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)c1 ZINC000873227535 649599427 /nfs/dbraw/zinc/59/94/27/649599427.db2.gz IZIZKUXRQRXMSQ-DOTOQJQBSA-N 2 1 272.392 2.293 20 30 CEEDMP C#CCCCCC[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000879001143 651226475 /nfs/dbraw/zinc/22/64/75/651226475.db2.gz QTGFGPYCHWDMII-INIZCTEOSA-N 2 1 266.429 2.223 20 30 CEEDMP C=CCC[C@H]([NH2+]C[C@@H]1CC[N@H+](CC)C1)[C@@H]1CCCO1 ZINC000883173162 652389059 /nfs/dbraw/zinc/38/90/59/652389059.db2.gz DMAGRUIOSKIPFI-JYJNAYRXSA-N 2 1 266.429 2.432 20 30 CEEDMP C[NH+]1CCN(N=C2CCC(C)([NH+]3CCCC3)CC2)CC1 ZINC000884370675 652819396 /nfs/dbraw/zinc/81/93/96/652819396.db2.gz ROVKTCHELRAPFA-UHFFFAOYSA-N 2 1 278.444 2.018 20 30 CEEDMP C=CCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001271020578 805718239 /nfs/dbraw/zinc/71/82/39/805718239.db2.gz ACFMZGXMEPZUBX-JKSUJKDBSA-N 2 1 295.471 2.119 20 30 CEEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)[C@H]1C ZINC001088563087 806420920 /nfs/dbraw/zinc/42/09/20/806420920.db2.gz CHDIAFPUULCWFF-PMPSAXMXSA-N 2 1 293.455 2.014 20 30 CEEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)[C@H]1C ZINC001088563087 806420924 /nfs/dbraw/zinc/42/09/24/806420924.db2.gz CHDIAFPUULCWFF-PMPSAXMXSA-N 2 1 293.455 2.014 20 30 CEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)[C@H]1C ZINC001088563087 806420927 /nfs/dbraw/zinc/42/09/27/806420927.db2.gz CHDIAFPUULCWFF-PMPSAXMXSA-N 2 1 293.455 2.014 20 30 CEEDMP C=CCCCCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001266583134 802743334 /nfs/dbraw/zinc/74/33/34/802743334.db2.gz OADDUXFPMLXSCB-JYJNAYRXSA-N 2 1 293.455 2.064 20 30 CEEDMP C=C(C)CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001266895920 802976138 /nfs/dbraw/zinc/97/61/38/802976138.db2.gz UWVMCGPROSAZTA-JKSUJKDBSA-N 2 1 295.471 2.121 20 30 CEEDMP C=CCC[N@H+](C)CCNC(=O)c1sccc1C[NH+](C)C ZINC001267197034 803220453 /nfs/dbraw/zinc/22/04/53/803220453.db2.gz FUVWASZAFJMZIT-UHFFFAOYSA-N 2 1 295.452 2.047 20 30 CEEDMP C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)c1ccn2c(C)cnc2c1 ZINC001038251479 803272495 /nfs/dbraw/zinc/27/24/95/803272495.db2.gz HGQPGTARGVCUFY-OAHLLOKOSA-N 2 1 298.390 2.023 20 30 CEEDMP C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)c1ccn2c(C)cnc2c1 ZINC001038251479 803272499 /nfs/dbraw/zinc/27/24/99/803272499.db2.gz HGQPGTARGVCUFY-OAHLLOKOSA-N 2 1 298.390 2.023 20 30 CEEDMP C=CC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001283621964 803523784 /nfs/dbraw/zinc/52/37/84/803523784.db2.gz PPDSSIYHKRGVCO-ZBFHGGJFSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CC[NH2+]CCN(CC)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001268454992 804699378 /nfs/dbraw/zinc/69/93/78/804699378.db2.gz WQWOBOJMJYQKES-MRXNPFEDSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)C[NH2+]CCCN(C)C(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001268876512 804993538 /nfs/dbraw/zinc/99/35/38/804993538.db2.gz JUSYKYOCOJMKCN-CVEARBPZSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)[C@H]1C ZINC001089060957 807325813 /nfs/dbraw/zinc/32/58/13/807325813.db2.gz PNGWVRZYHJYPAS-PMPSAXMXSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)[C@H]1C ZINC001089060957 807325821 /nfs/dbraw/zinc/32/58/21/807325821.db2.gz PNGWVRZYHJYPAS-PMPSAXMXSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)[C@H]1C ZINC001089060957 807325829 /nfs/dbraw/zinc/32/58/29/807325829.db2.gz PNGWVRZYHJYPAS-PMPSAXMXSA-N 2 1 293.455 2.016 20 30 CEEDMP C=C(C)C[NH+]1CCCC[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001034400289 809599995 /nfs/dbraw/zinc/59/99/95/809599995.db2.gz XIAYXQHAJYCQLR-JKSUJKDBSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001034400289 809600001 /nfs/dbraw/zinc/60/00/01/809600001.db2.gz XIAYXQHAJYCQLR-JKSUJKDBSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)C[N@@H+]1CCCC[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001034400289 809600004 /nfs/dbraw/zinc/60/00/04/809600004.db2.gz XIAYXQHAJYCQLR-JKSUJKDBSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001015115271 810261310 /nfs/dbraw/zinc/26/13/10/810261310.db2.gz UXIZTTOUPPYHQJ-HNNXBMFYSA-N 2 1 298.390 2.105 20 30 CEEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001015792229 810354462 /nfs/dbraw/zinc/35/44/62/810354462.db2.gz TYABUCLSVZAMKV-JKSUJKDBSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001015792229 810354466 /nfs/dbraw/zinc/35/44/66/810354466.db2.gz TYABUCLSVZAMKV-JKSUJKDBSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001015792229 810354475 /nfs/dbraw/zinc/35/44/75/810354475.db2.gz TYABUCLSVZAMKV-JKSUJKDBSA-N 2 1 293.455 2.016 20 30 CEEDMP CC[N@@H+]1C[C@@H]2C[NH+]([C@@H](C)Cc3ccc(C#N)cc3)C[C@@H]2C1 ZINC001172313055 815366488 /nfs/dbraw/zinc/36/64/88/815366488.db2.gz OHNDIOLUVQOKLZ-JCGIZDLHSA-N 2 1 283.419 2.373 20 30 CEEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001016340737 810424940 /nfs/dbraw/zinc/42/49/40/810424940.db2.gz ZKLLRLRFEYCRHY-HOTGVXAUSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001016340737 810424943 /nfs/dbraw/zinc/42/49/43/810424943.db2.gz ZKLLRLRFEYCRHY-HOTGVXAUSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001016340737 810424947 /nfs/dbraw/zinc/42/49/47/810424947.db2.gz ZKLLRLRFEYCRHY-HOTGVXAUSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001018967524 810668102 /nfs/dbraw/zinc/66/81/02/810668102.db2.gz DZADFZJNJLBIGZ-JKSUJKDBSA-N 2 1 293.455 2.016 20 30 CEEDMP C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001038521417 810854030 /nfs/dbraw/zinc/85/40/30/810854030.db2.gz XJUDPOKDYPGVQZ-INIZCTEOSA-N 2 1 298.390 2.105 20 30 CEEDMP C#Cc1cccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC001206014708 811615198 /nfs/dbraw/zinc/61/51/98/811615198.db2.gz XYKOIRWGTLNBBR-PBHICJAKSA-N 2 1 256.393 2.475 20 30 CEEDMP C[C@H]1C[N@H+](Cc2ccc(C#N)cc2O)CCC[C@@H]1C[NH3+] ZINC001206025011 811709080 /nfs/dbraw/zinc/70/90/80/811709080.db2.gz LYXNYTADCGKXQZ-GXTWGEPZSA-N 2 1 273.380 2.071 20 30 CEEDMP C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2O)CCC[C@@H]1C[NH3+] ZINC001206025011 811709087 /nfs/dbraw/zinc/70/90/87/811709087.db2.gz LYXNYTADCGKXQZ-GXTWGEPZSA-N 2 1 273.380 2.071 20 30 CEEDMP C=CCC[N@@H+]1C[C@H](NC(=O)CCCC[NH+](C)C)CC[C@@H]1C ZINC001132434094 812850503 /nfs/dbraw/zinc/85/05/03/812850503.db2.gz TYFPXPUXTMEYTR-JKSUJKDBSA-N 2 1 295.471 2.264 20 30 CEEDMP C=CCCC[NH+]1C[C@H](NC(=O)C[N@H+](C)CCC)CC[C@@H]1C ZINC001132441438 812854738 /nfs/dbraw/zinc/85/47/38/812854738.db2.gz OWWHZEJZDTWBKG-JKSUJKDBSA-N 2 1 295.471 2.264 20 30 CEEDMP C=CCCC[N@@H+]1C[C@H](NC(=O)C[NH+](C)CCC)CC[C@@H]1C ZINC001132441438 812854745 /nfs/dbraw/zinc/85/47/45/812854745.db2.gz OWWHZEJZDTWBKG-JKSUJKDBSA-N 2 1 295.471 2.264 20 30 CEEDMP C=CCCC[N@H+]1C[C@H](NC(=O)C[NH+](C)CCC)CC[C@@H]1C ZINC001132441438 812854754 /nfs/dbraw/zinc/85/47/54/812854754.db2.gz OWWHZEJZDTWBKG-JKSUJKDBSA-N 2 1 295.471 2.264 20 30 CEEDMP C=CCC[C@H](C)[NH2+]CCNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001132736957 812935274 /nfs/dbraw/zinc/93/52/74/812935274.db2.gz GUWTZOCJGHFODJ-HOTGVXAUSA-N 2 1 295.471 2.169 20 30 CEEDMP C=CC[N@@H+]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[C@H]1C ZINC001071652890 813460351 /nfs/dbraw/zinc/46/03/51/813460351.db2.gz QCMMFOLLMOJUET-HIFRSBDPSA-N 2 1 298.390 2.103 20 30 CEEDMP C=CC[N@@H+]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2)CC[C@H]1C ZINC001071686021 813464900 /nfs/dbraw/zinc/46/49/00/813464900.db2.gz LZGTYQGCARYBSC-UKRRQHHQSA-N 2 1 298.390 2.103 20 30 CEEDMP C=C(C)CC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@H+](C)CCC ZINC001135979035 813577648 /nfs/dbraw/zinc/57/76/48/813577648.db2.gz BFTPWIBGTRERDW-CABCVRRESA-N 2 1 283.460 2.167 20 30 CEEDMP C=CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CC[N@H+](C)CCC ZINC001135995460 813582172 /nfs/dbraw/zinc/58/21/72/813582172.db2.gz FXOJEXNUTWXYDN-HUUCEWRRSA-N 2 1 283.460 2.167 20 30 CEEDMP C=CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@H+](C)C(C)C ZINC001099353923 814000806 /nfs/dbraw/zinc/00/08/06/814000806.db2.gz IRCVJVPWUKXZIQ-OAHLLOKOSA-N 2 1 295.471 2.119 20 30 CEEDMP C=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001099353923 814000814 /nfs/dbraw/zinc/00/08/14/814000814.db2.gz IRCVJVPWUKXZIQ-OAHLLOKOSA-N 2 1 295.471 2.119 20 30 CEEDMP C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001099353923 814000818 /nfs/dbraw/zinc/00/08/18/814000818.db2.gz IRCVJVPWUKXZIQ-OAHLLOKOSA-N 2 1 295.471 2.119 20 30 CEEDMP C[C@@H](Cc1cccc(C#N)c1)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC001171181091 814068321 /nfs/dbraw/zinc/06/83/21/814068321.db2.gz HBDKNSPARFPHGY-WMLDXEAASA-N 2 1 271.408 2.421 20 30 CEEDMP C=C(C)CC[NH2+][C@@H](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001146333483 814275487 /nfs/dbraw/zinc/27/54/87/814275487.db2.gz OHSUQKLKWPFRAC-KBPBESRZSA-N 2 1 292.427 2.031 20 30 CEEDMP C=CC[NH+](CC=C)[C@@H](CNc1cc(N)[nH+]cn1)C(C)C ZINC001115988309 814763345 /nfs/dbraw/zinc/76/33/45/814763345.db2.gz CHZQZCHJYGVOFG-ZDUSSCGKSA-N 2 1 275.400 2.169 20 30 CEEDMP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001175262712 816164986 /nfs/dbraw/zinc/16/49/86/816164986.db2.gz KIKRMZHDIWEPGV-HOTGVXAUSA-N 2 1 295.471 2.169 20 30 CEEDMP COCC#CC[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(C)CC1 ZINC001175351912 816178484 /nfs/dbraw/zinc/17/84/84/816178484.db2.gz MWSRVHOGEPHXIN-QGZVFWFLSA-N 2 1 278.440 2.223 20 30 CEEDMP COCC#CC[N@H+]1CCC[C@@H]1CC[NH+]1CCC(C)CC1 ZINC001175351912 816178485 /nfs/dbraw/zinc/17/84/85/816178485.db2.gz MWSRVHOGEPHXIN-QGZVFWFLSA-N 2 1 278.440 2.223 20 30 CEEDMP COc1cc(C#N)ccc1CN(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000121135796 365525734 /nfs/dbraw/zinc/52/57/34/365525734.db2.gz BKJSYVWWSPNEPP-CZUORRHYSA-N 2 1 287.407 2.481 20 30 CEEDMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000353384154 282210440 /nfs/dbraw/zinc/21/04/40/282210440.db2.gz KKYCVZHGCNMZAT-INIZCTEOSA-N 2 1 266.348 2.340 20 30 CEEDMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000333281207 539322847 /nfs/dbraw/zinc/32/28/47/539322847.db2.gz MLRNCKFXOTVOAL-RDTXWAMCSA-N 2 1 298.434 2.257 20 30 CEEDMP C[NH+]=C(NCC[C@@H](C)[N@@H+](C)Cc1ccccc1)NC1CC1 ZINC000081777951 344064469 /nfs/dbraw/zinc/06/44/69/344064469.db2.gz HKAPJMLEQLTNST-CQSZACIVSA-N 2 1 288.439 2.224 20 30 CEEDMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cc(C#N)n(C)c2)CC1 ZINC000584695685 344976991 /nfs/dbraw/zinc/97/69/91/344976991.db2.gz AVSOBZRJQXVCQQ-UHFFFAOYSA-N 2 1 288.439 2.449 20 30 CEEDMP N#C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)C1 ZINC000595073183 345739381 /nfs/dbraw/zinc/73/93/81/345739381.db2.gz SXMODRFFERNGTB-KZNAEPCWSA-N 2 1 299.418 2.035 20 30 CEEDMP C[C@]1(C#N)CC[N@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000595905307 345910667 /nfs/dbraw/zinc/91/06/67/345910667.db2.gz SWVRDDXLUVCMTM-MRXNPFEDSA-N 2 1 255.365 2.068 20 30 CEEDMP C[C@]1(C#N)CC[N@@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000595905307 345910669 /nfs/dbraw/zinc/91/06/69/345910669.db2.gz SWVRDDXLUVCMTM-MRXNPFEDSA-N 2 1 255.365 2.068 20 30 CEEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1ccc(F)cc1C#N ZINC000596359869 346007440 /nfs/dbraw/zinc/00/74/40/346007440.db2.gz GLQLNLYERMYUKP-ZDUSSCGKSA-N 2 1 292.402 2.381 20 30 CEEDMP N#CC1(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)CCCCC1 ZINC000596651324 346072348 /nfs/dbraw/zinc/07/23/48/346072348.db2.gz MTLFDDSVAAPAHF-ARFHVFGLSA-N 2 1 291.439 2.207 20 30 CEEDMP CC(C)(C#N)C[C@@H](O)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000598595054 346380559 /nfs/dbraw/zinc/38/05/59/346380559.db2.gz MIMHPUNKCUIUOC-JKSUJKDBSA-N 2 1 293.455 2.095 20 30 CEEDMP N#Cc1ccccc1C[N@@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000598683295 346400454 /nfs/dbraw/zinc/40/04/54/346400454.db2.gz REDFTAHRMNJEMQ-RCCFBDPRSA-N 2 1 299.418 2.277 20 30 CEEDMP N#CCc1cccc2c1CC[N@@H+](CC[C@H]1CC[NH2+]C1)C2 ZINC000600752409 346684301 /nfs/dbraw/zinc/68/43/01/346684301.db2.gz WTZNKOSOGZOARR-CQSZACIVSA-N 2 1 269.392 2.110 20 30 CEEDMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3cccc(C#N)n3)C2)CC1 ZINC000602661938 347129512 /nfs/dbraw/zinc/12/95/12/347129512.db2.gz JIEJZSSDVBOWDD-HNNXBMFYSA-N 2 1 284.407 2.117 20 30 CEEDMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1C#N ZINC000090714546 180028676 /nfs/dbraw/zinc/02/86/76/180028676.db2.gz KLTVUDBLSLXXCD-HZPDHXFCSA-N 2 1 285.391 2.283 20 30 CEEDMP COc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1C#N ZINC000090714546 180028678 /nfs/dbraw/zinc/02/86/78/180028678.db2.gz KLTVUDBLSLXXCD-HZPDHXFCSA-N 2 1 285.391 2.283 20 30 CEEDMP C[C@H]1CC[N@@H+](CCN[C@@H]2CCc3ccc(C#N)cc32)C1 ZINC000570193047 299244424 /nfs/dbraw/zinc/24/44/24/299244424.db2.gz RGPXWNRPMHOOKD-SUMWQHHRSA-N 2 1 269.392 2.477 20 30 CEEDMP N#Cc1ccc([C@H](O)C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000156493609 283188636 /nfs/dbraw/zinc/18/86/36/283188636.db2.gz KMBCBMYKLOIDSU-SJLPKXTDSA-N 2 1 299.418 2.009 20 30 CEEDMP N#Cc1ccc([C@H](O)C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000156493609 283188637 /nfs/dbraw/zinc/18/86/37/283188637.db2.gz KMBCBMYKLOIDSU-SJLPKXTDSA-N 2 1 299.418 2.009 20 30 CEEDMP CCC#C[C@H](C)[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000677478060 541018402 /nfs/dbraw/zinc/01/84/02/541018402.db2.gz KXORWZJIAGPCKY-BZSNNMDCSA-N 2 1 291.483 2.279 20 30 CEEDMP CCC#C[C@@H](C)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000679373605 541266882 /nfs/dbraw/zinc/26/68/82/541266882.db2.gz AGADURZREZNRKV-HRBLRVMOSA-N 2 1 289.467 2.031 20 30 CEEDMP CCC#C[C@@H](C)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000679373605 541266885 /nfs/dbraw/zinc/26/68/85/541266885.db2.gz AGADURZREZNRKV-HRBLRVMOSA-N 2 1 289.467 2.031 20 30 CEEDMP N#Cc1ccc(OCC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000090106670 364040471 /nfs/dbraw/zinc/04/04/71/364040471.db2.gz HYPURKMMCYWRQX-JKSUJKDBSA-N 2 1 285.391 2.153 20 30 CEEDMP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC(C)(C)CCC#N)C2)CC1 ZINC000093133450 364142796 /nfs/dbraw/zinc/14/27/96/364142796.db2.gz XNGMVNGQRXMDNI-MRXNPFEDSA-N 2 1 292.471 2.028 20 30 CEEDMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(C#N)cs2)C1 ZINC000177689464 368279158 /nfs/dbraw/zinc/27/91/58/368279158.db2.gz MRLXZNZCSSNUQU-LBPRGKRZSA-N 2 1 263.410 2.441 20 30 CEEDMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(C#N)cs2)C1 ZINC000177689464 368279159 /nfs/dbraw/zinc/27/91/59/368279159.db2.gz MRLXZNZCSSNUQU-LBPRGKRZSA-N 2 1 263.410 2.441 20 30 CEEDMP C=CCOc1ccc(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc1OC ZINC000346690250 368772938 /nfs/dbraw/zinc/77/29/38/368772938.db2.gz SZPSLVQKCITHEV-HIFRSBDPSA-N 2 1 290.407 2.429 20 30 CEEDMP C=CCOc1ccc(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cc1OC ZINC000346690249 368772962 /nfs/dbraw/zinc/77/29/62/368772962.db2.gz SZPSLVQKCITHEV-DZGCQCFKSA-N 2 1 290.407 2.429 20 30 CEEDMP C=CCOc1ccccc1C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000346650726 368751042 /nfs/dbraw/zinc/75/10/42/368751042.db2.gz PZDPXEWYBJQQHL-ZIAGYGMSSA-N 2 1 260.381 2.421 20 30 CEEDMP C=CCOCCC[NH+](C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000348049669 368874290 /nfs/dbraw/zinc/87/42/90/368874290.db2.gz JAKRZIZBIZMBMN-CABCVRRESA-N 2 1 254.418 2.384 20 30 CEEDMP C=CCOCCC[N@@H+](C)[C@H]1CC[NH+](CC)[C@H](C)C1 ZINC000348049669 368874296 /nfs/dbraw/zinc/87/42/96/368874296.db2.gz JAKRZIZBIZMBMN-CABCVRRESA-N 2 1 254.418 2.384 20 30 CEEDMP C=CCOCCC[N@H+](C)[C@H]1CC[NH+](CC)[C@H](C)C1 ZINC000348049669 368874300 /nfs/dbraw/zinc/87/43/00/368874300.db2.gz JAKRZIZBIZMBMN-CABCVRRESA-N 2 1 254.418 2.384 20 30 CEEDMP C=C(C)CC[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000352050922 369663062 /nfs/dbraw/zinc/66/30/62/369663062.db2.gz WOIMPYBQJJJRBX-MRXNPFEDSA-N 2 1 265.445 2.055 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@](C)(CC)OC)CC1 ZINC000638524919 370590361 /nfs/dbraw/zinc/59/03/61/370590361.db2.gz VJWARPOUEZMCBP-OAHLLOKOSA-N 2 1 254.418 2.432 20 30 CEEDMP CC[NH+](CC)[C@@H](CNC1=[NH+]C[C@@H](C)N1)c1ccccc1 ZINC000261848957 371749077 /nfs/dbraw/zinc/74/90/77/371749077.db2.gz WNSREQANVAZOST-HIFRSBDPSA-N 2 1 274.412 2.007 20 30 CEEDMP C=CCCOCC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000367614755 373167835 /nfs/dbraw/zinc/16/78/35/373167835.db2.gz IFHVFCXADBWIRJ-ZNMIVQPWSA-N 2 1 252.402 2.042 20 30 CEEDMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(C#N)c(F)c1 ZINC000271919056 373214700 /nfs/dbraw/zinc/21/47/00/373214700.db2.gz HHOZQECIKRFJOM-LLVKDONJSA-N 2 1 261.344 2.442 20 30 CEEDMP C[NH+](C)[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000277133401 374413314 /nfs/dbraw/zinc/41/33/14/374413314.db2.gz INGFJTIAVGNNPW-MRXNPFEDSA-N 2 1 257.381 2.474 20 30 CEEDMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000277133401 374413322 /nfs/dbraw/zinc/41/33/22/374413322.db2.gz INGFJTIAVGNNPW-MRXNPFEDSA-N 2 1 257.381 2.474 20 30 CEEDMP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000280772322 375316175 /nfs/dbraw/zinc/31/61/75/375316175.db2.gz ZSMBBARDILYNRT-CJNGLKHVSA-N 2 1 275.396 2.218 20 30 CEEDMP C=CC[N@@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420920569 376738118 /nfs/dbraw/zinc/73/81/18/376738118.db2.gz JZCHNQPPYHIDQS-UHFFFAOYSA-N 2 1 260.381 2.137 20 30 CEEDMP C=CC[N@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420920569 376738129 /nfs/dbraw/zinc/73/81/29/376738129.db2.gz JZCHNQPPYHIDQS-UHFFFAOYSA-N 2 1 260.381 2.137 20 30 CEEDMP COc1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)ccc1C#N ZINC000318500868 376813898 /nfs/dbraw/zinc/81/38/98/376813898.db2.gz XVULYKYYRONRAR-DLBZAZTESA-N 2 1 299.418 2.483 20 30 CEEDMP COc1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)ccc1C#N ZINC000318500868 376813905 /nfs/dbraw/zinc/81/39/05/376813905.db2.gz XVULYKYYRONRAR-DLBZAZTESA-N 2 1 299.418 2.483 20 30 CEEDMP COc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)ccc1C#N ZINC000318500868 376813908 /nfs/dbraw/zinc/81/39/08/376813908.db2.gz XVULYKYYRONRAR-DLBZAZTESA-N 2 1 299.418 2.483 20 30 CEEDMP COc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)ccc1C#N ZINC000318500868 376813910 /nfs/dbraw/zinc/81/39/10/376813910.db2.gz XVULYKYYRONRAR-DLBZAZTESA-N 2 1 299.418 2.483 20 30 CEEDMP C[N@H+]1CCC[C@@]2(CCN(Cc3cccc(C#N)c3)C2)C1 ZINC000292823533 377298294 /nfs/dbraw/zinc/29/82/94/377298294.db2.gz ABYHSGJILLSTHH-QGZVFWFLSA-N 2 1 269.392 2.476 20 30 CEEDMP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3cccc(C#N)c3)C2)C1 ZINC000292823533 377298315 /nfs/dbraw/zinc/29/83/15/377298315.db2.gz ABYHSGJILLSTHH-QGZVFWFLSA-N 2 1 269.392 2.476 20 30 CEEDMP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cccc(C#N)c3)C2)C1 ZINC000292823533 377298323 /nfs/dbraw/zinc/29/83/23/377298323.db2.gz ABYHSGJILLSTHH-QGZVFWFLSA-N 2 1 269.392 2.476 20 30 CEEDMP Cc1cc(C[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)ccc1C#N ZINC000332600164 377643292 /nfs/dbraw/zinc/64/32/92/377643292.db2.gz MGJXWVWURAJGCE-HNNXBMFYSA-N 2 1 280.375 2.415 20 30 CEEDMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2CC[C@H](C#N)C2)C[C@H](C)O1 ZINC000442793723 377995855 /nfs/dbraw/zinc/99/58/55/377995855.db2.gz OLKVOHUXCXERTF-XUWVNRHRSA-N 2 1 279.428 2.158 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000295042309 378035189 /nfs/dbraw/zinc/03/51/89/378035189.db2.gz POWGUQAYWVKKRZ-CQSZACIVSA-N 2 1 255.365 2.164 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000295042309 378035196 /nfs/dbraw/zinc/03/51/96/378035196.db2.gz POWGUQAYWVKKRZ-CQSZACIVSA-N 2 1 255.365 2.164 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(OC)c(F)c1 ZINC000295121377 378043262 /nfs/dbraw/zinc/04/32/62/378043262.db2.gz YRJOZKMHSFSWPA-CYBMUJFWSA-N 2 1 278.371 2.440 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(OC)c(F)c1 ZINC000295121377 378043267 /nfs/dbraw/zinc/04/32/67/378043267.db2.gz YRJOZKMHSFSWPA-CYBMUJFWSA-N 2 1 278.371 2.440 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(OC)cc1 ZINC000294859752 378023883 /nfs/dbraw/zinc/02/38/83/378023883.db2.gz BXFIYLOQMYASHP-AWEZNQCLSA-N 2 1 260.381 2.301 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(OC)cc1 ZINC000294859752 378023886 /nfs/dbraw/zinc/02/38/86/378023886.db2.gz BXFIYLOQMYASHP-AWEZNQCLSA-N 2 1 260.381 2.301 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CSC[C@@H]2C)CC1 ZINC000449126117 378197612 /nfs/dbraw/zinc/19/76/12/378197612.db2.gz UNFGGOKBNNECPW-JSGCOSHPSA-N 2 1 254.443 2.368 20 30 CEEDMP CCN(CC)C(=[NH2+])NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000267449781 394679337 /nfs/dbraw/zinc/67/93/37/394679337.db2.gz RCZBZZSMTDHQBK-MRXNPFEDSA-N 2 1 288.439 2.308 20 30 CEEDMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@H]2CC[C@H](C#N)C2)C1 ZINC000339013011 394936495 /nfs/dbraw/zinc/93/64/95/394936495.db2.gz ZMHHBHNNMLGAFG-HRCADAONSA-N 2 1 279.428 2.111 20 30 CEEDMP C=CCOc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cc1 ZINC000346995594 395116027 /nfs/dbraw/zinc/11/60/27/395116027.db2.gz BNHVDBVMUOHXPY-CZUORRHYSA-N 2 1 260.381 2.421 20 30 CEEDMP C=CCOc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)cc1OC ZINC000346993975 395116274 /nfs/dbraw/zinc/11/62/74/395116274.db2.gz BASYAQOHGHUMOX-HIFRSBDPSA-N 2 1 290.407 2.429 20 30 CEEDMP C=CCOc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)cc1OC ZINC000346993975 395116277 /nfs/dbraw/zinc/11/62/77/395116277.db2.gz BASYAQOHGHUMOX-HIFRSBDPSA-N 2 1 290.407 2.429 20 30 CEEDMP C#Cc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000290630676 395110940 /nfs/dbraw/zinc/11/09/40/395110940.db2.gz XWZSKQGAWHBFQU-RHSMWYFYSA-N 2 1 256.393 2.440 20 30 CEEDMP C#Cc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000290630676 395110942 /nfs/dbraw/zinc/11/09/42/395110942.db2.gz XWZSKQGAWHBFQU-RHSMWYFYSA-N 2 1 256.393 2.440 20 30 CEEDMP C#Cc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)cc1 ZINC000290630676 395110946 /nfs/dbraw/zinc/11/09/46/395110946.db2.gz XWZSKQGAWHBFQU-RHSMWYFYSA-N 2 1 256.393 2.440 20 30 CEEDMP C#Cc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)cc1 ZINC000290630676 395110953 /nfs/dbraw/zinc/11/09/53/395110953.db2.gz XWZSKQGAWHBFQU-RHSMWYFYSA-N 2 1 256.393 2.440 20 30 CEEDMP C=C(CC)C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000353325403 395294518 /nfs/dbraw/zinc/29/45/18/395294518.db2.gz IXTZXWZXGZVZCT-SJPCQFCGSA-N 2 1 277.456 2.195 20 30 CEEDMP C=CC[C@H]1[NH+](C[C@@H](O)C[N@@H+](C)CC)CCCC1(C)C ZINC000567910814 395541972 /nfs/dbraw/zinc/54/19/72/395541972.db2.gz IORRAEIQTAEZJZ-LSDHHAIUSA-N 2 1 268.445 2.366 20 30 CEEDMP C=CC[C@H]1[NH+](C[C@@H](O)C[N@H+](C)CC)CCCC1(C)C ZINC000567910814 395541974 /nfs/dbraw/zinc/54/19/74/395541974.db2.gz IORRAEIQTAEZJZ-LSDHHAIUSA-N 2 1 268.445 2.366 20 30 CEEDMP C=CC[C@H]1[N@H+](C[C@@H](O)C[NH+](C)CC)CCCC1(C)C ZINC000567910814 395541976 /nfs/dbraw/zinc/54/19/76/395541976.db2.gz IORRAEIQTAEZJZ-LSDHHAIUSA-N 2 1 268.445 2.366 20 30 CEEDMP C=CC[C@H]1[N@@H+](C[C@@H](O)C[NH+](C)CC)CCCC1(C)C ZINC000567910814 395541977 /nfs/dbraw/zinc/54/19/77/395541977.db2.gz IORRAEIQTAEZJZ-LSDHHAIUSA-N 2 1 268.445 2.366 20 30 CEEDMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(OCC#N)cc1 ZINC000037256029 173066645 /nfs/dbraw/zinc/06/66/45/173066645.db2.gz RSTLJOSMBOBGSG-CYBMUJFWSA-N 2 1 273.380 2.334 20 30 CEEDMP C=CC[C@H](C)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655730237 415419052 /nfs/dbraw/zinc/41/90/52/415419052.db2.gz NPRFTZKXXJLNMY-DZGCQCFKSA-N 2 1 252.402 2.184 20 30 CEEDMP N#CCCN1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000370678059 260002390 /nfs/dbraw/zinc/00/23/90/260002390.db2.gz SQPKVSIROKBUMQ-IAGOWNOFSA-N 2 1 269.392 2.354 20 30 CEEDMP CC[N@@H+](C)Cc1cccc(CNC(=[NH2+])N(C)C2CC2)c1 ZINC000273340676 263015843 /nfs/dbraw/zinc/01/58/43/263015843.db2.gz MYJZEBJOXDUIQH-UHFFFAOYSA-N 2 1 274.412 2.047 20 30 CEEDMP C=CCOc1ccc(C[NH2+]C[C@H]([NH3+])C(C)C)cc1OC ZINC000414804900 263052024 /nfs/dbraw/zinc/05/20/24/263052024.db2.gz YFGVBZVDMMCLGU-AWEZNQCLSA-N 2 1 278.396 2.333 20 30 CEEDMP C=CCOc1ccccc1C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C ZINC000414952684 263158212 /nfs/dbraw/zinc/15/82/12/263158212.db2.gz IPHJMCGATAIILY-DZGCQCFKSA-N 2 1 260.381 2.339 20 30 CEEDMP N#Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCc3[nH]cnc3C1)CC2 ZINC000570790834 314058516 /nfs/dbraw/zinc/05/85/16/314058516.db2.gz YCPYLMVEUJHCRV-UKRRQHHQSA-N 2 1 278.359 2.416 20 30 CEEDMP Cn1ccnc1[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC000571445977 328121883 /nfs/dbraw/zinc/12/18/83/328121883.db2.gz FARCEJKNPYEWKJ-INIZCTEOSA-N 2 1 265.360 2.261 20 30 CEEDMP [NH2+]=C(NC[C@@H]1CC[N@H+](C2CC2)C1)Nc1cc(F)ccc1F ZINC000262331780 328149213 /nfs/dbraw/zinc/14/92/13/328149213.db2.gz YFUAFMLGNKRSAI-JTQLQIEISA-N 2 1 294.349 2.176 20 30 CEEDMP CC(C)(C)NC(=[NH2+])NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000195291207 331166670 /nfs/dbraw/zinc/16/66/70/331166670.db2.gz WKSXYUQYFAQLTF-HNNXBMFYSA-N 2 1 288.439 2.211 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCC[C@@H]1CCCF ZINC000491209490 332166365 /nfs/dbraw/zinc/16/63/65/332166365.db2.gz HYPPNWMWUXBDSU-CABCVRRESA-N 2 1 254.393 2.450 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCC[C@@H]1CCCF ZINC000491209490 332166367 /nfs/dbraw/zinc/16/63/67/332166367.db2.gz HYPPNWMWUXBDSU-CABCVRRESA-N 2 1 254.393 2.450 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)Cc1ccsc1 ZINC000491452095 332213879 /nfs/dbraw/zinc/21/38/79/332213879.db2.gz JIVURXDTZZCDDY-ZDUSSCGKSA-N 2 1 250.411 2.224 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)Cc1ccsc1 ZINC000491452095 332213880 /nfs/dbraw/zinc/21/38/80/332213880.db2.gz JIVURXDTZZCDDY-ZDUSSCGKSA-N 2 1 250.411 2.224 20 30 CEEDMP C=CCC[NH2+][C@@H]1CC[N@H+](CCCOCC)C[C@@H]1C ZINC000249500642 334335040 /nfs/dbraw/zinc/33/50/40/334335040.db2.gz XDDSTPRCZSPVGE-LSDHHAIUSA-N 2 1 254.418 2.289 20 30 CEEDMP CC#CCC[N@@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000352706340 526305741 /nfs/dbraw/zinc/30/57/41/526305741.db2.gz WHDSHHWNRZCTGE-UHFFFAOYSA-N 2 1 299.462 2.149 20 30 CEEDMP C[N@H+](CCC[NH+]1CCCC1)Cc1ccc(C#N)cc1 ZINC000193468969 574603553 /nfs/dbraw/zinc/60/35/53/574603553.db2.gz FHARXTAOIIMVBN-UHFFFAOYSA-N 2 1 257.381 2.476 20 30 CEEDMP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(C#N)cc1 ZINC000193468969 574603555 /nfs/dbraw/zinc/60/35/55/574603555.db2.gz FHARXTAOIIMVBN-UHFFFAOYSA-N 2 1 257.381 2.476 20 30 CEEDMP C[NH+]1CCN(N=C2CCCC[C@H]2[NH+]2CCCCCC2)CC1 ZINC000749808036 575234789 /nfs/dbraw/zinc/23/47/89/575234789.db2.gz SIXUPQVBPLVBIP-QGZVFWFLSA-N 2 1 292.471 2.408 20 30 CEEDMP C=CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001024436231 625554233 /nfs/dbraw/zinc/55/42/33/625554233.db2.gz AJFARSRIEDJJTI-HZPDHXFCSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001024436231 625554242 /nfs/dbraw/zinc/55/42/42/625554242.db2.gz AJFARSRIEDJJTI-HZPDHXFCSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001024436231 625554249 /nfs/dbraw/zinc/55/42/49/625554249.db2.gz AJFARSRIEDJJTI-HZPDHXFCSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001024468607 625568901 /nfs/dbraw/zinc/56/89/01/625568901.db2.gz LMNJCHSHHYUWND-HOTGVXAUSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001024468607 625568908 /nfs/dbraw/zinc/56/89/08/625568908.db2.gz LMNJCHSHHYUWND-HOTGVXAUSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001024468607 625568919 /nfs/dbraw/zinc/56/89/19/625568919.db2.gz LMNJCHSHHYUWND-HOTGVXAUSA-N 2 1 293.455 2.018 20 30 CEEDMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCc1ccc(C#N)cc1 ZINC000926680023 625705186 /nfs/dbraw/zinc/70/51/86/625705186.db2.gz JPYQIZHLYBMFNX-SJPCQFCGSA-N 2 1 269.392 2.031 20 30 CEEDMP CC(C)C[N@H+]1CCC[C@H](CNC(=[NH2+])N2CCC[C@H](C)C2)C1 ZINC000157397467 624976018 /nfs/dbraw/zinc/97/60/18/624976018.db2.gz MWBUJTLYBVMZTI-JKSUJKDBSA-N 2 1 294.487 2.401 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1C[C@@H](OCC(C)C)C1(C)C ZINC000328041712 627769608 /nfs/dbraw/zinc/76/96/08/627769608.db2.gz XOUQQGFWNPGRTB-HZPDHXFCSA-N 2 1 280.456 2.371 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1C[C@@H](OCC(C)C)C1(C)C ZINC000328041712 627769613 /nfs/dbraw/zinc/76/96/13/627769613.db2.gz XOUQQGFWNPGRTB-HZPDHXFCSA-N 2 1 280.456 2.371 20 30 CEEDMP C=CC[NH+]1CCC(NCc2cn(C)nc2C2CC2)CC1 ZINC000892881038 627827686 /nfs/dbraw/zinc/82/76/86/627827686.db2.gz ORXUMNKCFNRXJE-UHFFFAOYSA-N 2 1 274.412 2.038 20 30 CEEDMP CC(C)CCC[C@@H](C)NC(=[NH2+])NC[C@@H]1CC[N@@H+](C)C1 ZINC000104172188 628680699 /nfs/dbraw/zinc/68/06/99/628680699.db2.gz WFFXYQSVXVGSEJ-KGLIPLIRSA-N 2 1 268.449 2.057 20 30 CEEDMP C=CCC[C@H](CC)[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000925795022 628840396 /nfs/dbraw/zinc/84/03/96/628840396.db2.gz NAJODOPNNGTGHB-LSDHHAIUSA-N 2 1 266.429 2.480 20 30 CEEDMP C=CC[C@H](C)[C@@H](C)[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000925796831 628842134 /nfs/dbraw/zinc/84/21/34/628842134.db2.gz SJRUNBWLYAJVDE-ZNMIVQPWSA-N 2 1 266.429 2.335 20 30 CEEDMP CC[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1cccc(C#N)c1 ZINC000902761840 634815690 /nfs/dbraw/zinc/81/56/90/634815690.db2.gz ASPKEXCVWYYEII-IAGOWNOFSA-N 2 1 287.407 2.056 20 30 CEEDMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CC[C@@H](C#N)C2)cn1 ZINC000799714927 631067964 /nfs/dbraw/zinc/06/79/64/631067964.db2.gz JAPDBLUPSYYNGA-HIFRSBDPSA-N 2 1 281.363 2.358 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1C[C@@H](OC(C)C)C1(C)C ZINC000815652207 633043743 /nfs/dbraw/zinc/04/37/43/633043743.db2.gz UGLJAIXAWPRVMY-HUUCEWRRSA-N 2 1 266.429 2.123 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1C[C@@H](OC(C)C)C1(C)C ZINC000815652207 633043746 /nfs/dbraw/zinc/04/37/46/633043746.db2.gz UGLJAIXAWPRVMY-HUUCEWRRSA-N 2 1 266.429 2.123 20 30 CEEDMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@H](O)c1ccc(C#N)cc1 ZINC000818965932 634019946 /nfs/dbraw/zinc/01/99/46/634019946.db2.gz MNIAZSDWLKMSHN-GUYCJALGSA-N 2 1 298.390 2.023 20 30 CEEDMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cc(C#N)ccn1 ZINC000903017378 634926990 /nfs/dbraw/zinc/92/69/90/634926990.db2.gz SGGDVIGTMXQFHA-CYBMUJFWSA-N 2 1 272.396 2.478 20 30 CEEDMP C[C@@H]1C[N@@H+](CCc2ccc(C#N)cc2)C[C@H]1CC[NH3+] ZINC000903499412 635153997 /nfs/dbraw/zinc/15/39/97/635153997.db2.gz UAJNAZDJONPYEE-CZUORRHYSA-N 2 1 257.381 2.017 20 30 CEEDMP N#Cc1ccc(CC[N@H+]2CCC[C@@H]3CC[C@]32CN)cc1 ZINC000903801668 635278425 /nfs/dbraw/zinc/27/84/25/635278425.db2.gz OWPSWLDPEHKNTH-SJORKVTESA-N 2 1 269.392 2.304 20 30 CEEDMP N#Cc1ccc(CC[N@@H+]2CCC[C@@H]3CC[C@]32CN)cc1 ZINC000903801668 635278429 /nfs/dbraw/zinc/27/84/29/635278429.db2.gz OWPSWLDPEHKNTH-SJORKVTESA-N 2 1 269.392 2.304 20 30 CEEDMP N#Cc1ccc(CC[N@H+]2CCC[C@@H]3CC[C@]32C[NH3+])cc1 ZINC000903801668 635278434 /nfs/dbraw/zinc/27/84/34/635278434.db2.gz OWPSWLDPEHKNTH-SJORKVTESA-N 2 1 269.392 2.304 20 30 CEEDMP N#Cc1ccc(CC[N@@H+]2CCC[C@@H]3CC[C@]32C[NH3+])cc1 ZINC000903801668 635278438 /nfs/dbraw/zinc/27/84/38/635278438.db2.gz OWPSWLDPEHKNTH-SJORKVTESA-N 2 1 269.392 2.304 20 30 CEEDMP C=CCC[C@@H](O)C[N@@H+]1CCCC[C@H]1C1(C[NH3+])CCC1 ZINC000903810494 635284634 /nfs/dbraw/zinc/28/46/34/635284634.db2.gz CGJLWYICHZRHDD-CABCVRRESA-N 2 1 266.429 2.297 20 30 CEEDMP CCCC[NH+]=C(NC[C@H](C)[NH+](C)C)NC(C)(C)C ZINC000912496713 638701981 /nfs/dbraw/zinc/70/19/81/638701981.db2.gz DJYXSKKQTMORAA-LBPRGKRZSA-N 2 1 256.438 2.070 20 30 CEEDMP C[C@H](C#N)Oc1ccc(C[NH2+]C2CC[NH+](C)CC2)cc1 ZINC000173359596 639852726 /nfs/dbraw/zinc/85/27/26/639852726.db2.gz LNOCKOMFTLWPQK-CYBMUJFWSA-N 2 1 273.380 2.161 20 30 CEEDMP C[C@H](CCC#N)C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000877030595 650538091 /nfs/dbraw/zinc/53/80/91/650538091.db2.gz GOKZXPTXDBFQFV-GDBMZVCRSA-N 2 1 279.428 2.159 20 30 CEEDMP C=CC[NH2+]C1CC(N(C)C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC000998899120 642447239 /nfs/dbraw/zinc/44/72/39/642447239.db2.gz AVCXFLCECVSLIS-HWOWSKLDSA-N 2 1 293.455 2.014 20 30 CEEDMP C[N@@H+](CCc1ccc(C#N)cc1)C1CCC([NH3+])CC1 ZINC000852740360 643528073 /nfs/dbraw/zinc/52/80/73/643528073.db2.gz CDDFRUYQAFMNCW-UHFFFAOYSA-N 2 1 257.381 2.302 20 30 CEEDMP C=CCC[C@@H](O)C[N@H+](CCC[NH3+])Cc1ccccc1 ZINC000923348952 643672576 /nfs/dbraw/zinc/67/25/76/643672576.db2.gz PLYRJPABRJVARN-MRXNPFEDSA-N 2 1 262.397 2.165 20 30 CEEDMP C[C@@H](C#N)Oc1ccc(C[NH2+]CC2=CC[N@@H+](C)CC2)cc1 ZINC000776257562 647043201 /nfs/dbraw/zinc/04/32/01/647043201.db2.gz MGULXCWVLNGADE-AWEZNQCLSA-N 2 1 285.391 2.329 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2cnc3c(cnn3C)c2)CC1 ZINC000865453685 647301134 /nfs/dbraw/zinc/30/11/34/647301134.db2.gz IDIPIJSBWXDZDM-UHFFFAOYSA-N 2 1 299.422 2.098 20 30 CEEDMP C[C@H]1C[NH2+]C[C@H]([NH2+]C2CCN(c3ccccc3C#N)CC2)C1 ZINC000873215885 649593135 /nfs/dbraw/zinc/59/31/35/649593135.db2.gz GFGMPGOFFLALGK-RHSMWYFYSA-N 2 1 298.434 2.115 20 30 CEEDMP C[C@H](CCC#N)[N@@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880258872 651411271 /nfs/dbraw/zinc/41/12/71/651411271.db2.gz DLZFTWTZMVYKIY-KGLIPLIRSA-N 2 1 258.369 2.284 20 30 CEEDMP C[C@H](CCC#N)[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880258872 651411272 /nfs/dbraw/zinc/41/12/72/651411272.db2.gz DLZFTWTZMVYKIY-KGLIPLIRSA-N 2 1 258.369 2.284 20 30 CEEDMP C[C@H](CCC#N)[N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880258876 651411400 /nfs/dbraw/zinc/41/14/00/651411400.db2.gz DLZFTWTZMVYKIY-ZIAGYGMSSA-N 2 1 258.369 2.284 20 30 CEEDMP C[C@H](CCC#N)[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880258876 651411402 /nfs/dbraw/zinc/41/14/02/651411402.db2.gz DLZFTWTZMVYKIY-ZIAGYGMSSA-N 2 1 258.369 2.284 20 30 CEEDMP C[C@@H]1C[N@@H+](CCCCC#N)CCN1c1cc[nH+]cc1 ZINC000880260124 651412253 /nfs/dbraw/zinc/41/22/53/651412253.db2.gz BBVQMILEFMKOJD-CQSZACIVSA-N 2 1 258.369 2.286 20 30 CEEDMP C#CC[C@@H](CO)[NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000883123786 652369578 /nfs/dbraw/zinc/36/95/78/652369578.db2.gz KWWDMPTVHSALKY-KRWDZBQOSA-N 2 1 288.435 2.118 20 30 CEEDMP C#CC[C@@H](CO)[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000883123786 652369581 /nfs/dbraw/zinc/36/95/81/652369581.db2.gz KWWDMPTVHSALKY-KRWDZBQOSA-N 2 1 288.435 2.118 20 30 CEEDMP C=CCC[C@H]([NH2+][C@@H]1CCc2[nH]cnc2C1)[C@@H]1CCCO1 ZINC000883223420 652405039 /nfs/dbraw/zinc/40/50/39/652405039.db2.gz PAFYOTFMNPAUNP-INWMFGNUSA-N 2 1 275.396 2.370 20 30 CEEDMP C=CC[C@H](C)[N@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000715051415 814926228 /nfs/dbraw/zinc/92/62/28/814926228.db2.gz CDHCQGUXOMFSHU-HBNTYKKESA-N 2 1 250.308 2.410 20 30 CEEDMP C=C(C)CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001271540117 805988158 /nfs/dbraw/zinc/98/81/58/805988158.db2.gz PHUDCOYJNJDQNJ-HZPDHXFCSA-N 2 1 295.471 2.121 20 30 CEEDMP C=C(C)C[NH+]1CCC[C@H]([C@H](C)NC(=O)C[N@H+](C)CCC)C1 ZINC001266897164 802976197 /nfs/dbraw/zinc/97/61/97/802976197.db2.gz MBGYJKCENZWYSQ-HOTGVXAUSA-N 2 1 295.471 2.121 20 30 CEEDMP C=C(C)C[N@H+]1CCC[C@H]([C@H](C)NC(=O)C[NH+](C)CCC)C1 ZINC001266897164 802976202 /nfs/dbraw/zinc/97/62/02/802976202.db2.gz MBGYJKCENZWYSQ-HOTGVXAUSA-N 2 1 295.471 2.121 20 30 CEEDMP C=C(C)C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C[NH+](C)CCC)C1 ZINC001266897164 802976207 /nfs/dbraw/zinc/97/62/07/802976207.db2.gz MBGYJKCENZWYSQ-HOTGVXAUSA-N 2 1 295.471 2.121 20 30 CEEDMP CCCCCCC[NH2+]CCNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001133896236 813172797 /nfs/dbraw/zinc/17/27/97/813172797.db2.gz FRZSRUYOVQXOKI-UHFFFAOYSA-N 2 1 297.487 2.395 20 30 CEEDMP C=CCC[C@@H](C)[NH+](C)CCNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001267233193 803263943 /nfs/dbraw/zinc/26/39/43/803263943.db2.gz RTZXGNKVUHTKCR-HZPDHXFCSA-N 2 1 295.471 2.264 20 30 CEEDMP C=CCC[C@@H](C)[N@@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1CC ZINC001267233193 803263947 /nfs/dbraw/zinc/26/39/47/803263947.db2.gz RTZXGNKVUHTKCR-HZPDHXFCSA-N 2 1 295.471 2.264 20 30 CEEDMP C=CCC[C@@H](C)[N@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1CC ZINC001267233193 803263950 /nfs/dbraw/zinc/26/39/50/803263950.db2.gz RTZXGNKVUHTKCR-HZPDHXFCSA-N 2 1 295.471 2.264 20 30 CEEDMP C=CCC[C@H](C)[NH+](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001267233192 803264327 /nfs/dbraw/zinc/26/43/27/803264327.db2.gz RTZXGNKVUHTKCR-HOTGVXAUSA-N 2 1 295.471 2.264 20 30 CEEDMP C=CCC[C@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001267233192 803264332 /nfs/dbraw/zinc/26/43/32/803264332.db2.gz RTZXGNKVUHTKCR-HOTGVXAUSA-N 2 1 295.471 2.264 20 30 CEEDMP C=CCC[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001267233192 803264335 /nfs/dbraw/zinc/26/43/35/803264335.db2.gz RTZXGNKVUHTKCR-HOTGVXAUSA-N 2 1 295.471 2.264 20 30 CEEDMP C=CC[N@H+]1CCC[C@H]1CNC(=O)CCC[NH+]1CCCCC1 ZINC001267282255 803327571 /nfs/dbraw/zinc/32/75/71/803327571.db2.gz OZBXWSRTICDJNN-INIZCTEOSA-N 2 1 293.455 2.019 20 30 CEEDMP CCCCCCC[NH+]1CC(NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001267659731 803646799 /nfs/dbraw/zinc/64/67/99/803646799.db2.gz CAUVBQJYVVTRFV-OAHLLOKOSA-N 2 1 295.471 2.099 20 30 CEEDMP CCCCCCC[NH+]1CC(NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001267659731 803646803 /nfs/dbraw/zinc/64/68/03/803646803.db2.gz CAUVBQJYVVTRFV-OAHLLOKOSA-N 2 1 295.471 2.099 20 30 CEEDMP N#Cc1ccc(CCC[N@@H+]2CCC[C@H]([NH3+])CC2)cc1 ZINC001205095254 807587386 /nfs/dbraw/zinc/58/73/86/807587386.db2.gz WHUJJHGPXZIYKA-INIZCTEOSA-N 2 1 257.381 2.304 20 30 CEEDMP C=CCCC[NH2+]CCNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001127679092 808188074 /nfs/dbraw/zinc/18/80/74/808188074.db2.gz HRTIWGPLPLDOIO-CQSZACIVSA-N 2 1 292.427 2.069 20 30 CEEDMP C#CCC[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC000702050795 809490967 /nfs/dbraw/zinc/49/09/67/809490967.db2.gz CTQQHGBJQDRWTC-ZWKOTPCHSA-N 2 1 268.404 2.464 20 30 CEEDMP C#CCC[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC000702050795 809490972 /nfs/dbraw/zinc/49/09/72/809490972.db2.gz CTQQHGBJQDRWTC-ZWKOTPCHSA-N 2 1 268.404 2.464 20 30 CEEDMP C#CCC[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC000702050795 809490976 /nfs/dbraw/zinc/49/09/76/809490976.db2.gz CTQQHGBJQDRWTC-ZWKOTPCHSA-N 2 1 268.404 2.464 20 30 CEEDMP C#CCC[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC000702050795 809490981 /nfs/dbraw/zinc/49/09/81/809490981.db2.gz CTQQHGBJQDRWTC-ZWKOTPCHSA-N 2 1 268.404 2.464 20 30 CEEDMP C#CC(CC)(CC)[NH2+]C1CC[NH+](CCCOC)CC1 ZINC001172243640 815356118 /nfs/dbraw/zinc/35/61/18/815356118.db2.gz YINUEIHEKFTZSO-UHFFFAOYSA-N 2 1 266.429 2.269 20 30 CEEDMP C=CCCC[C@H]([NH3+])C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC001121991743 815374817 /nfs/dbraw/zinc/37/48/17/815374817.db2.gz ZKHYUFCEKDDEIQ-HOTGVXAUSA-N 2 1 295.471 2.298 20 30 CEEDMP CCCCCCC[C@H](CC)[NH2+]C[C@H](C[NH3+])C(=O)OC ZINC001172345743 815399024 /nfs/dbraw/zinc/39/90/24/815399024.db2.gz CDLDCMFVHFIZPU-KBPBESRZSA-N 2 1 272.433 2.463 20 30 CEEDMP CCCCCCCN1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001113687830 812301392 /nfs/dbraw/zinc/30/13/92/812301392.db2.gz OGBBNINCKDQNAJ-UHFFFAOYSA-N 2 1 297.487 2.441 20 30 CEEDMP CCCCCCC[NH+]1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001113687830 812301409 /nfs/dbraw/zinc/30/14/09/812301409.db2.gz OGBBNINCKDQNAJ-UHFFFAOYSA-N 2 1 297.487 2.441 20 30 CEEDMP C=CCC[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001130710858 812600197 /nfs/dbraw/zinc/60/01/97/812600197.db2.gz HDXNBLCKYVDDSF-HOTGVXAUSA-N 2 1 295.471 2.167 20 30 CEEDMP C=CCC[N@@H+]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)CC[C@H]1C ZINC001132106961 812788443 /nfs/dbraw/zinc/78/84/43/812788443.db2.gz WPXFYBSZIQVUJF-HUUCEWRRSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001052498391 812998461 /nfs/dbraw/zinc/99/84/61/812998461.db2.gz HGSYRCJXKVLQFE-HOTGVXAUSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001052498391 812998468 /nfs/dbraw/zinc/99/84/68/812998468.db2.gz HGSYRCJXKVLQFE-HOTGVXAUSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001052498391 812998474 /nfs/dbraw/zinc/99/84/74/812998474.db2.gz HGSYRCJXKVLQFE-HOTGVXAUSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)C[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001052499513 813002658 /nfs/dbraw/zinc/00/26/58/813002658.db2.gz WRFVHQYBQCJCGZ-CVEARBPZSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001052499513 813002667 /nfs/dbraw/zinc/00/26/67/813002667.db2.gz WRFVHQYBQCJCGZ-CVEARBPZSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001052499513 813002677 /nfs/dbraw/zinc/00/26/77/813002677.db2.gz WRFVHQYBQCJCGZ-CVEARBPZSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001135467786 813441644 /nfs/dbraw/zinc/44/16/44/813441644.db2.gz JTPRFTAXFBGNOY-HUUCEWRRSA-N 2 1 295.471 2.167 20 30 CEEDMP C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001099125678 813989718 /nfs/dbraw/zinc/98/97/18/813989718.db2.gz JGDOAARAIZJLCT-LSDHHAIUSA-N 2 1 295.471 2.119 20 30 CEEDMP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001175262711 816164203 /nfs/dbraw/zinc/16/42/03/816164203.db2.gz KIKRMZHDIWEPGV-CVEARBPZSA-N 2 1 295.471 2.169 20 30 CEEDMP CN1CCN(c2ccccc2CN2CCC[C@H](C#N)C2)CC1 ZINC001140970947 816427989 /nfs/dbraw/zinc/42/79/89/816427989.db2.gz AJJHUFCYOSUOMA-MRXNPFEDSA-N 2 1 298.434 2.174 20 30 CEEDMP C=C(C)CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001176566193 816442973 /nfs/dbraw/zinc/44/29/73/816442973.db2.gz ZKOCPKWLLLJXLP-HOTGVXAUSA-N 2 1 295.471 2.169 20 30 CEEDMP [NH2+]=C(NC[C@@H]1CCCC[N@H+]1Cc1ccccc1)NC1CC1 ZINC000066243800 343710034 /nfs/dbraw/zinc/71/00/34/343710034.db2.gz OJFFBBYLEOOQCI-INIZCTEOSA-N 2 1 286.423 2.108 20 30 CEEDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C[C@H](C)CCC#N)C1 ZINC000602480743 347053009 /nfs/dbraw/zinc/05/30/09/347053009.db2.gz XUEMZXLIYPKUMI-HZPDHXFCSA-N 2 1 281.444 2.359 20 30 CEEDMP C=C(C)C[N@H+](C)C1CC[NH+](C2CCOCC2)CC1 ZINC000363206078 344809874 /nfs/dbraw/zinc/80/98/74/344809874.db2.gz BHTLAZNCBSTGPR-UHFFFAOYSA-N 2 1 252.402 2.138 20 30 CEEDMP C[C@H]1C[C@H](C[N@H+]2Cc3cccc(C#N)c3C2)CC[NH2+]1 ZINC000593324147 345466532 /nfs/dbraw/zinc/46/65/32/345466532.db2.gz YNLRBQSKIRYVJG-QWHCGFSZSA-N 2 1 255.365 2.262 20 30 CEEDMP N#Cc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cc1 ZINC000593736973 345530472 /nfs/dbraw/zinc/53/04/72/345530472.db2.gz PKIUGQVGLJUBGC-BZSNNMDCSA-N 2 1 299.418 2.277 20 30 CEEDMP N#Cc1ccc(CC[N@@H+]2CCC[C@H](CC[NH3+])C2)cc1 ZINC000595895204 345908444 /nfs/dbraw/zinc/90/84/44/345908444.db2.gz FQMBVVQFJPEGOF-MRXNPFEDSA-N 2 1 257.381 2.162 20 30 CEEDMP CN1CC(C[N@@H+](C)Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000597204668 346148154 /nfs/dbraw/zinc/14/81/54/346148154.db2.gz CNNMEBXWCAPNET-UHFFFAOYSA-N 2 1 271.408 2.481 20 30 CEEDMP C[C@@H]1CC[N@@H+](C[C@@H](O)CC(C)(C)C#N)C[C@@H]1n1ccnc1 ZINC000598598794 346381280 /nfs/dbraw/zinc/38/12/80/346381280.db2.gz VWSOIBSXOMHMCJ-ILXRZTDVSA-N 2 1 290.411 2.067 20 30 CEEDMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cccc(C#N)c2)C1 ZINC000063917539 362778691 /nfs/dbraw/zinc/77/86/91/362778691.db2.gz XPXQZESMZHNKOH-MRXNPFEDSA-N 2 1 257.381 2.380 20 30 CEEDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CC2(CC#N)CC2)C1 ZINC000602786940 347197883 /nfs/dbraw/zinc/19/78/83/347197883.db2.gz ZZKCHJJHKPWMIX-HNNXBMFYSA-N 2 1 279.428 2.113 20 30 CEEDMP C[C@@H](CCC#N)[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000602847875 347223330 /nfs/dbraw/zinc/22/33/30/347223330.db2.gz LHSSJXRDIYCTCC-AWEZNQCLSA-N 2 1 258.369 2.286 20 30 CEEDMP CC(C)C[N@H+]1CC[C@@H](CNC(=[NH2+])N2CCC(C)CC2)C1 ZINC000129627742 365880838 /nfs/dbraw/zinc/88/08/38/365880838.db2.gz WAVPJYSOWAWSAY-HNNXBMFYSA-N 2 1 280.460 2.011 20 30 CEEDMP C[NH+]1CCC([NH2+]Cc2ccc(C#N)c(Cl)c2)CC1 ZINC000619748351 349232267 /nfs/dbraw/zinc/23/22/67/349232267.db2.gz IYHFNKXWKZKXPB-UHFFFAOYSA-N 2 1 263.772 2.395 20 30 CEEDMP C#CCOc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000179635309 189208857 /nfs/dbraw/zinc/20/88/57/189208857.db2.gz RSEUJGROLLFJLA-INIZCTEOSA-N 2 1 272.392 2.082 20 30 CEEDMP C#CCOc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000179635309 189208858 /nfs/dbraw/zinc/20/88/58/189208858.db2.gz RSEUJGROLLFJLA-INIZCTEOSA-N 2 1 272.392 2.082 20 30 CEEDMP C=CCOCCC[N@@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000348051762 368875119 /nfs/dbraw/zinc/87/51/19/368875119.db2.gz MYZLIRNLTVDJNU-OAHLLOKOSA-N 2 1 254.418 2.243 20 30 CEEDMP C=CCOCCC[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000348061491 368881141 /nfs/dbraw/zinc/88/11/41/368881141.db2.gz YVMMUMGAWGOZAN-MRXNPFEDSA-N 2 1 266.429 2.243 20 30 CEEDMP C=CCOCCC[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000348061491 368881145 /nfs/dbraw/zinc/88/11/45/368881145.db2.gz YVMMUMGAWGOZAN-MRXNPFEDSA-N 2 1 266.429 2.243 20 30 CEEDMP C=CCOCCC[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000348061491 368881148 /nfs/dbraw/zinc/88/11/48/368881148.db2.gz YVMMUMGAWGOZAN-MRXNPFEDSA-N 2 1 266.429 2.243 20 30 CEEDMP C=C(CC)C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000358618909 371140965 /nfs/dbraw/zinc/14/09/65/371140965.db2.gz XZWUFVJDNZLMMN-SOUVJXGZSA-N 2 1 252.402 2.136 20 30 CEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])Nc1ccc2c(c1)CCC2 ZINC000264075135 371962503 /nfs/dbraw/zinc/96/25/03/371962503.db2.gz HABKFQSKKVKGHB-INIZCTEOSA-N 2 1 286.423 2.386 20 30 CEEDMP CC[N@@H+](C)Cc1cccc(CNC(=[NH2+])NCC(C)C)c1 ZINC000264073514 371963232 /nfs/dbraw/zinc/96/32/32/371963232.db2.gz DUZGUNRBQQNDHT-UHFFFAOYSA-N 2 1 276.428 2.199 20 30 CEEDMP C#CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000269845710 372577673 /nfs/dbraw/zinc/57/76/73/372577673.db2.gz FUGUSYRTSCKTGY-KRWDZBQOSA-N 2 1 256.393 2.464 20 30 CEEDMP C#CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000269845710 372577682 /nfs/dbraw/zinc/57/76/82/372577682.db2.gz FUGUSYRTSCKTGY-KRWDZBQOSA-N 2 1 256.393 2.464 20 30 CEEDMP C#CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000269845710 372577695 /nfs/dbraw/zinc/57/76/95/372577695.db2.gz FUGUSYRTSCKTGY-KRWDZBQOSA-N 2 1 256.393 2.464 20 30 CEEDMP C#CCC[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000374782294 374629921 /nfs/dbraw/zinc/62/99/21/374629921.db2.gz PGETVRVLKUKLQX-UHFFFAOYSA-N 2 1 257.381 2.253 20 30 CEEDMP COc1cc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)ccc1C#N ZINC000414786755 375969464 /nfs/dbraw/zinc/96/94/64/375969464.db2.gz UUKYRQUBRRQXBR-DLBZAZTESA-N 2 1 299.418 2.388 20 30 CEEDMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3ccc(C#N)o3)C2)CC1 ZINC000290324814 376733754 /nfs/dbraw/zinc/73/37/54/376733754.db2.gz DIKIMEYLIAVHHP-CQSZACIVSA-N 2 1 273.380 2.315 20 30 CEEDMP C=C(C)CC[N@@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000420974804 376751971 /nfs/dbraw/zinc/75/19/71/376751971.db2.gz FBYMQSZXVKZUGR-UHFFFAOYSA-N 2 1 279.472 2.445 20 30 CEEDMP COc1ccc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)cc1C#N ZINC000290459791 376790160 /nfs/dbraw/zinc/79/01/60/376790160.db2.gz MYQCRXADGISYKI-DOTOQJQBSA-N 2 1 299.418 2.483 20 30 CEEDMP COc1ccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)cc1C#N ZINC000290459791 376790165 /nfs/dbraw/zinc/79/01/65/376790165.db2.gz MYQCRXADGISYKI-DOTOQJQBSA-N 2 1 299.418 2.483 20 30 CEEDMP COc1ccc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc1C#N ZINC000290459791 376790172 /nfs/dbraw/zinc/79/01/72/376790172.db2.gz MYQCRXADGISYKI-DOTOQJQBSA-N 2 1 299.418 2.483 20 30 CEEDMP COc1ccc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)cc1C#N ZINC000290459791 376790181 /nfs/dbraw/zinc/79/01/81/376790181.db2.gz MYQCRXADGISYKI-DOTOQJQBSA-N 2 1 299.418 2.483 20 30 CEEDMP CCC[N@@H+](C)C[C@H]1CCN(Cc2ccc(C#N)cn2)C1 ZINC000562383726 376882407 /nfs/dbraw/zinc/88/24/07/376882407.db2.gz WJQVRGYZEPNQKP-OAHLLOKOSA-N 2 1 272.396 2.117 20 30 CEEDMP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000436289863 377822632 /nfs/dbraw/zinc/82/26/32/377822632.db2.gz IKPZYESMSCNASW-GCSSGZNBSA-N 2 1 266.429 2.286 20 30 CEEDMP C=CCCC[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000441270108 377934393 /nfs/dbraw/zinc/93/43/93/377934393.db2.gz NTKQJVTYIAHXNG-QLFBSQMISA-N 2 1 252.402 2.136 20 30 CEEDMP N#C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)C1 ZINC000442655520 377976921 /nfs/dbraw/zinc/97/69/21/377976921.db2.gz SUVOZKMCUNCXRV-QAPCUYQASA-N 2 1 299.418 2.301 20 30 CEEDMP C(#CC[N@H+]1C[C@@H]2CCC[C@@H]2C1)C[NH+]1C[C@@H]2CCC[C@@H]2C1 ZINC000472604392 380074425 /nfs/dbraw/zinc/07/44/25/380074425.db2.gz PIFNMSQREDLXFB-USTZCAOPSA-N 2 1 272.436 2.454 20 30 CEEDMP CC[NH+]1CCC(NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000329809859 394587047 /nfs/dbraw/zinc/58/70/47/394587047.db2.gz CFYKKIYZGUDUQM-CYBMUJFWSA-N 2 1 290.411 2.195 20 30 CEEDMP [NH2+]=C(NCC[N@H+]1CC=CCC1)Nc1ccc2c(c1)CCC2 ZINC000262480813 394618835 /nfs/dbraw/zinc/61/88/35/394618835.db2.gz RMDBBIYEWVOXQU-UHFFFAOYSA-N 2 1 284.407 2.164 20 30 CEEDMP [NH2+]=C(NCC[N@@H+]1CC=CCC1)Nc1ccc2c(c1)CCC2 ZINC000262480813 394618838 /nfs/dbraw/zinc/61/88/38/394618838.db2.gz RMDBBIYEWVOXQU-UHFFFAOYSA-N 2 1 284.407 2.164 20 30 CEEDMP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1ccc(C#N)cc1F ZINC000423367236 394903397 /nfs/dbraw/zinc/90/33/97/394903397.db2.gz RBWWBORUWFJRNX-WCQYABFASA-N 2 1 261.344 2.490 20 30 CEEDMP C=CCOCC[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000339083189 394941466 /nfs/dbraw/zinc/94/14/66/394941466.db2.gz DHMXXLBWRGTQJR-HUUCEWRRSA-N 2 1 266.429 2.432 20 30 CEEDMP C=CCOCC[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000339083190 394942100 /nfs/dbraw/zinc/94/21/00/394942100.db2.gz DHMXXLBWRGTQJR-LSDHHAIUSA-N 2 1 266.429 2.432 20 30 CEEDMP C=C[C@H](CO)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000289895312 395089870 /nfs/dbraw/zinc/08/98/70/395089870.db2.gz SUXIASWCZQZOFT-BRSBDYLESA-N 2 1 286.419 2.034 20 30 CEEDMP Cc1[nH+]ccn1CCCC[NH+]1CCC(F)(C#N)CC1 ZINC000352491575 395260114 /nfs/dbraw/zinc/26/01/14/395260114.db2.gz RJUIMTRNEJLBMQ-UHFFFAOYSA-N 2 1 264.348 2.299 20 30 CEEDMP C[N@H+]1CC[C@H]([NH2+]CCOc2ccc(C#N)cc2)[C@H]2CCC[C@@H]21 ZINC000367598305 156212388 /nfs/dbraw/zinc/21/23/88/156212388.db2.gz DPENOAXGEZZTSN-SQNIBIBYSA-N 2 1 299.418 2.399 20 30 CEEDMP C[C@@H]1C[C@@H]([NH2+]CCOc2ccc(C#N)cc2)CC[N@@H+]1C ZINC000181156358 165332030 /nfs/dbraw/zinc/33/20/30/165332030.db2.gz FYJANMAHOSHNEZ-HIFRSBDPSA-N 2 1 273.380 2.009 20 30 CEEDMP C[C@@H]1C[C@@H]([NH2+]CCOc2ccc(C#N)cc2)CC[N@H+]1C ZINC000181156358 165332031 /nfs/dbraw/zinc/33/20/31/165332031.db2.gz FYJANMAHOSHNEZ-HIFRSBDPSA-N 2 1 273.380 2.009 20 30 CEEDMP C=CCC1([NH2+]C[C@@H](O)C[N@H+](C)C(C)C)CCCC1 ZINC000661850691 415499004 /nfs/dbraw/zinc/49/90/04/415499004.db2.gz MVCCBIRJURBOCO-CQSZACIVSA-N 2 1 254.418 2.166 20 30 CEEDMP C=C(CC)C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655774637 415455965 /nfs/dbraw/zinc/45/59/65/415455965.db2.gz ZDVMTPNRSNGVMA-OAHLLOKOSA-N 2 1 252.402 2.186 20 30 CEEDMP C=CCOc1ccccc1C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000414831185 263056321 /nfs/dbraw/zinc/05/63/21/263056321.db2.gz PQBRHQZXNHFDON-CQSZACIVSA-N 2 1 260.381 2.341 20 30 CEEDMP COc1cc(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])ccc1C#N ZINC000423128682 270844753 /nfs/dbraw/zinc/84/47/53/270844753.db2.gz WETNABZCVDGJIT-LSDHHAIUSA-N 2 1 273.380 2.316 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccccc1N(C)C ZINC000295064829 275380887 /nfs/dbraw/zinc/38/08/87/275380887.db2.gz RMYWZOROEJXRCQ-OAHLLOKOSA-N 2 1 273.424 2.358 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccccc1N(C)C ZINC000295064829 275380888 /nfs/dbraw/zinc/38/08/88/275380888.db2.gz RMYWZOROEJXRCQ-OAHLLOKOSA-N 2 1 273.424 2.358 20 30 CEEDMP CC(C)(C)NC(=[NH2+])NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000262811241 330033168 /nfs/dbraw/zinc/03/31/68/330033168.db2.gz OFGHUDNDKWYIGZ-AWEZNQCLSA-N 2 1 280.460 2.486 20 30 CEEDMP C=C(CC)C[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000536891869 330363496 /nfs/dbraw/zinc/36/34/96/330363496.db2.gz ZSBNBBSUVDMMAW-INIZCTEOSA-N 2 1 265.445 2.053 20 30 CEEDMP C=CCOc1ccc(C[N@@H+]2CCC[C@H](C[NH3+])C2)cc1OC ZINC000347083964 526868204 /nfs/dbraw/zinc/86/82/04/526868204.db2.gz ZTBKCLKKFUDUPC-OAHLLOKOSA-N 2 1 290.407 2.431 20 30 CEEDMP C=CCOc1ccc(C[N@H+]2CCC[C@H](C[NH3+])C2)cc1OC ZINC000347083964 526868210 /nfs/dbraw/zinc/86/82/10/526868210.db2.gz ZTBKCLKKFUDUPC-OAHLLOKOSA-N 2 1 290.407 2.431 20 30 CEEDMP C#CCOc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000113320903 527105170 /nfs/dbraw/zinc/10/51/70/527105170.db2.gz NGZLBJVKLIBSQO-INIZCTEOSA-N 2 1 284.403 2.273 20 30 CEEDMP C#CCOc1ccc(C[NH2+]C[C@@H]2CC[N@H+](CC)C2)cc1 ZINC000113323913 527105381 /nfs/dbraw/zinc/10/53/81/527105381.db2.gz AKFFJVLHJGVEQH-INIZCTEOSA-N 2 1 272.392 2.130 20 30 CEEDMP C=CCC[N@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000352718657 527320790 /nfs/dbraw/zinc/32/07/90/527320790.db2.gz ZRDLHIAQTOKAJH-UHFFFAOYSA-N 2 1 287.451 2.312 20 30 CEEDMP C=C[C@H](CO)[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000353572469 527592047 /nfs/dbraw/zinc/59/20/47/527592047.db2.gz XSWVLKPXKKAWQR-IIAWOOMASA-N 2 1 266.429 2.166 20 30 CEEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC000948040445 613271261 /nfs/dbraw/zinc/27/12/61/613271261.db2.gz QAAIGQJSXDNOLY-HOTGVXAUSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000971944515 613291197 /nfs/dbraw/zinc/29/11/97/613291197.db2.gz WGIGMDSNOKHYPE-INIZCTEOSA-N 2 1 298.390 2.057 20 30 CEEDMP CC[C@@H](C)NC(=[NH2+])NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000261695355 623429343 /nfs/dbraw/zinc/42/93/43/623429343.db2.gz BUKOWGVKUKOAEZ-QWHCGFSZSA-N 2 1 268.449 2.200 20 30 CEEDMP CCN1CC[NH+](CCCC[NH2+]CC#Cc2ccccc2)CC1 ZINC000892563457 627273618 /nfs/dbraw/zinc/27/36/18/627273618.db2.gz RPHHBESIYYOWDF-UHFFFAOYSA-N 2 1 299.462 2.045 20 30 CEEDMP C=CC[NH+]1CCC([NH2+]CC2CCC(OC)CC2)CC1 ZINC000892881605 627829015 /nfs/dbraw/zinc/82/90/15/627829015.db2.gz ZIXSBYPTSBCEAT-UHFFFAOYSA-N 2 1 266.429 2.432 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000328195505 627867547 /nfs/dbraw/zinc/86/75/47/627867547.db2.gz RFYFLMFTOXFJCT-INIZCTEOSA-N 2 1 276.811 2.352 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000328195505 627867549 /nfs/dbraw/zinc/86/75/49/627867549.db2.gz RFYFLMFTOXFJCT-INIZCTEOSA-N 2 1 276.811 2.352 20 30 CEEDMP CC[NH+]=C(NCC1CCCC1)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261766149 629187191 /nfs/dbraw/zinc/18/71/91/629187191.db2.gz NNWXYWPTXQFSGM-XJKSGUPXSA-N 2 1 292.471 2.214 20 30 CEEDMP CC[C@H](C)[N@@H+](C)CC[NH+]=C(NCc1ccccc1)N(C)C ZINC000303981199 631096542 /nfs/dbraw/zinc/09/65/42/631096542.db2.gz OWPPUXAGMDYXSC-HNNXBMFYSA-N 2 1 290.455 2.424 20 30 CEEDMP C#Cc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)cc1 ZINC000809735441 632134395 /nfs/dbraw/zinc/13/43/95/632134395.db2.gz GYPAPUSNHVZDCS-KRWDZBQOSA-N 2 1 256.393 2.488 20 30 CEEDMP N#CCOc1ccc(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000817918659 633777209 /nfs/dbraw/zinc/77/72/09/633777209.db2.gz MAWYIVVZLUHUPO-JKSUJKDBSA-N 2 1 273.380 2.339 20 30 CEEDMP N#Cc1ccc([C@H](O)C[NH2+]C2CC([NH+]3CCCCC3)C2)cc1 ZINC000819278584 634126002 /nfs/dbraw/zinc/12/60/02/634126002.db2.gz RPROMNALVDUYKS-DAWZGUTISA-N 2 1 299.418 2.198 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)[C@@H]1COc2ccccc2C1 ZINC000903001680 634932877 /nfs/dbraw/zinc/93/28/77/634932877.db2.gz XDCHUIFZHFDRIU-RDJZCZTQSA-N 2 1 286.419 2.171 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)[C@@H]1COc2ccccc2C1 ZINC000903001680 634932880 /nfs/dbraw/zinc/93/28/80/634932880.db2.gz XDCHUIFZHFDRIU-RDJZCZTQSA-N 2 1 286.419 2.171 20 30 CEEDMP Cc1cc(C#N)cc(C)c1C[NH2+][C@@](C)(C[NH3+])C1CC1 ZINC000903427104 635113037 /nfs/dbraw/zinc/11/30/37/635113037.db2.gz SWCHCWLHJGFNPA-INIZCTEOSA-N 2 1 257.381 2.392 20 30 CEEDMP Cc1cc(C#N)cc(C)c1C[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000903461078 635126203 /nfs/dbraw/zinc/12/62/03/635126203.db2.gz OLMTWPWOQFICQP-UKRRQHHQSA-N 2 1 257.381 2.487 20 30 CEEDMP Cc1cc(C#N)cc(C)c1C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000903448271 635134138 /nfs/dbraw/zinc/13/41/38/635134138.db2.gz BNOLYGRHTUHVCT-KRWDZBQOSA-N 2 1 269.392 2.361 20 30 CEEDMP C=CC[N@H+](Cc1ccccc1)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903723919 635237356 /nfs/dbraw/zinc/23/73/56/635237356.db2.gz ZJVLUADLQCPGSH-QZTJIDSGSA-N 2 1 286.419 2.443 20 30 CEEDMP C=CCC[C@H](C)[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903975285 635393795 /nfs/dbraw/zinc/39/37/95/635393795.db2.gz ZGLOESJFUWMDHA-KBPBESRZSA-N 2 1 252.402 2.089 20 30 CEEDMP C=C(CC[NH+](C)C)C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000912504959 638712155 /nfs/dbraw/zinc/71/21/55/638712155.db2.gz BWDCJBGRIMVMEO-HNNXBMFYSA-N 2 1 293.455 2.018 20 30 CEEDMP N#CC1CCC([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000877031966 650539074 /nfs/dbraw/zinc/53/90/74/650539074.db2.gz YADUBCKAHBKMDH-VMBOVVBDSA-N 2 1 291.439 2.302 20 30 CEEDMP CN(C(=[NH2+])NC[C@@H]1CCC[N@H+]1CC1CCCCC1)C1CC1 ZINC000181478914 641556546 /nfs/dbraw/zinc/55/65/46/641556546.db2.gz MSWLUTQUOXCUFY-INIZCTEOSA-N 2 1 292.471 2.440 20 30 CEEDMP C=C(C)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC000999306659 642478647 /nfs/dbraw/zinc/47/86/47/642478647.db2.gz LAEUFZAJIXNHJD-HOTGVXAUSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001002954590 642876792 /nfs/dbraw/zinc/87/67/92/642876792.db2.gz FGTSQAVWEVAMOR-INIZCTEOSA-N 2 1 293.455 2.018 20 30 CEEDMP C#CCOCC[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000851751178 643146010 /nfs/dbraw/zinc/14/60/10/643146010.db2.gz OPRNKOCLSPKPNC-KRWDZBQOSA-N 2 1 278.440 2.224 20 30 CEEDMP C#CCOCC[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000851751178 643146013 /nfs/dbraw/zinc/14/60/13/643146013.db2.gz OPRNKOCLSPKPNC-KRWDZBQOSA-N 2 1 278.440 2.224 20 30 CEEDMP C=CCC[C@@H](O)C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000923388058 643692763 /nfs/dbraw/zinc/69/27/63/643692763.db2.gz NAWJILFOZRWIGS-HZPDHXFCSA-N 2 1 266.429 2.025 20 30 CEEDMP C[C@@H]1C[N@@H+](CCc2ccc(C#N)cc2)CC[C@@H]1C[NH3+] ZINC000923494047 643738304 /nfs/dbraw/zinc/73/83/04/643738304.db2.gz KEYVPOZJJFVHGQ-CZUORRHYSA-N 2 1 257.381 2.017 20 30 CEEDMP C[C@H](C#N)C[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775655267 646976736 /nfs/dbraw/zinc/97/67/36/646976736.db2.gz CDHHDYOXHXTHBM-OAHLLOKOSA-N 2 1 286.423 2.030 20 30 CEEDMP C[C@H](C#N)C[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775655267 646976737 /nfs/dbraw/zinc/97/67/37/646976737.db2.gz CDHHDYOXHXTHBM-OAHLLOKOSA-N 2 1 286.423 2.030 20 30 CEEDMP C[C@@H]1C[C@H]([NH2+][C@@H]2Cc3ccc(C#N)cc3C2)CC[N@@H+]1C ZINC000866617907 647844441 /nfs/dbraw/zinc/84/44/41/647844441.db2.gz REBAKZDHMTWLHE-CSMYWGQOSA-N 2 1 269.392 2.098 20 30 CEEDMP C[C@@H]1C[C@H]([NH2+][C@@H]2Cc3ccc(C#N)cc3C2)CC[N@H+]1C ZINC000866617907 647844446 /nfs/dbraw/zinc/84/44/46/647844446.db2.gz REBAKZDHMTWLHE-CSMYWGQOSA-N 2 1 269.392 2.098 20 30 CEEDMP C[C@@H]1C[N@@H+](CCCSCC#N)CCN1c1cc[nH+]cc1 ZINC000880263368 651412534 /nfs/dbraw/zinc/41/25/34/651412534.db2.gz WZCXEVRTHGFIRR-CQSZACIVSA-N 2 1 290.436 2.239 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+]Cc1c[nH]nc1-c1ccc(C)cc1 ZINC000883131417 652372985 /nfs/dbraw/zinc/37/29/85/652372985.db2.gz AVIGDYODOSIRMH-UHFFFAOYSA-N 2 1 296.418 2.430 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1c[nH]nc1-c1ccc(C)cc1 ZINC000883131417 652372989 /nfs/dbraw/zinc/37/29/89/652372989.db2.gz AVIGDYODOSIRMH-UHFFFAOYSA-N 2 1 296.418 2.430 20 30 CEEDMP C=CCC[C@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001267116899 803139962 /nfs/dbraw/zinc/13/99/62/803139962.db2.gz JIQJIYGQRXMYRI-HOTGVXAUSA-N 2 1 295.471 2.264 20 30 CEEDMP C=CCCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001267584044 803569775 /nfs/dbraw/zinc/56/97/75/803569775.db2.gz BGYNFAZUUHFAEG-HZPDHXFCSA-N 2 1 295.471 2.073 20 30 CEEDMP C=C(C)CC[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001269402148 805154684 /nfs/dbraw/zinc/15/46/84/805154684.db2.gz JDHPGBROOIVHBO-HOTGVXAUSA-N 2 1 295.471 2.310 20 30 CEEDMP C=CCCC[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)CC)[C@H](C)C1 ZINC001269981124 805301506 /nfs/dbraw/zinc/30/15/06/805301506.db2.gz JVBADJLXSGIAIF-HZPDHXFCSA-N 2 1 295.471 2.264 20 30 CEEDMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=[NH2+])c1ccc(Cl)cn1)C2 ZINC001172108210 815298072 /nfs/dbraw/zinc/29/80/72/815298072.db2.gz SEJJAMPKFHZCGT-XYYAHUGASA-N 2 1 292.814 2.456 20 30 CEEDMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccc(C#N)o1)C2 ZINC001172113433 815302023 /nfs/dbraw/zinc/30/20/23/815302023.db2.gz HCZQWIROEBYCKL-XYYAHUGASA-N 2 1 259.353 2.256 20 30 CEEDMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccc(C#N)o1)C2 ZINC001172113433 815302030 /nfs/dbraw/zinc/30/20/30/815302030.db2.gz HCZQWIROEBYCKL-XYYAHUGASA-N 2 1 259.353 2.256 20 30 CEEDMP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001034672439 809657719 /nfs/dbraw/zinc/65/77/19/809657719.db2.gz NOLRJMROCBTVSS-BZUAXINKSA-N 2 1 293.455 2.064 20 30 CEEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001015288084 810275406 /nfs/dbraw/zinc/27/54/06/810275406.db2.gz CFGNCUWAOVJJOT-OAHLLOKOSA-N 2 1 298.390 2.105 20 30 CEEDMP C[C@H](Cc1ccc(C#N)cc1)[NH2+]C[C@@H]1CC[N@@H+](C)C1 ZINC001172291476 815382248 /nfs/dbraw/zinc/38/22/48/815382248.db2.gz ZCVOCYVBFVDIDF-CJNGLKHVSA-N 2 1 257.381 2.031 20 30 CEEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001018967523 810668051 /nfs/dbraw/zinc/66/80/51/810668051.db2.gz DZADFZJNJLBIGZ-HOTGVXAUSA-N 2 1 293.455 2.016 20 30 CEEDMP C#Cc1cccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC001169101490 811371934 /nfs/dbraw/zinc/37/19/34/811371934.db2.gz STAXHSRACMBIET-OSYLJGHBSA-N 2 1 254.377 2.383 20 30 CEEDMP C#CC[NH+]1CCC(OC(=O)C[N@@H+](C)CCCCCC)CC1 ZINC001123349360 815507137 /nfs/dbraw/zinc/50/71/37/815507137.db2.gz UBVDTHRCLTYUGL-UHFFFAOYSA-N 2 1 294.439 2.139 20 30 CEEDMP C#CC[NH+]1CCC(OC(=O)C[N@H+](C)CCCCCC)CC1 ZINC001123349360 815507143 /nfs/dbraw/zinc/50/71/43/815507143.db2.gz UBVDTHRCLTYUGL-UHFFFAOYSA-N 2 1 294.439 2.139 20 30 CEEDMP CCCCCCC[NH+]1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001113352947 812226930 /nfs/dbraw/zinc/22/69/30/812226930.db2.gz FJXYPBLNSSDCBV-INIZCTEOSA-N 2 1 297.487 2.441 20 30 CEEDMP C=C(C)CC[NH2+]CCNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001130622624 812591242 /nfs/dbraw/zinc/59/12/42/812591242.db2.gz RWNHIQJCXLSYCQ-UHFFFAOYSA-N 2 1 295.471 2.311 20 30 CEEDMP C=C(C)CC[NH+]1C[C@H](NC(=O)CC[N@H+](C)CC)CC[C@H]1C ZINC001132410659 812843141 /nfs/dbraw/zinc/84/31/41/812843141.db2.gz MSPIGGKATYGJLL-HZPDHXFCSA-N 2 1 295.471 2.264 20 30 CEEDMP C=C(C)CC[N@@H+]1C[C@H](NC(=O)CC[NH+](C)CC)CC[C@H]1C ZINC001132410659 812843148 /nfs/dbraw/zinc/84/31/48/812843148.db2.gz MSPIGGKATYGJLL-HZPDHXFCSA-N 2 1 295.471 2.264 20 30 CEEDMP C=C(C)CC[N@H+]1C[C@H](NC(=O)CC[NH+](C)CC)CC[C@H]1C ZINC001132410659 812843157 /nfs/dbraw/zinc/84/31/57/812843157.db2.gz MSPIGGKATYGJLL-HZPDHXFCSA-N 2 1 295.471 2.264 20 30 CEEDMP C=CCCC[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CC)CC[C@H]1C ZINC001132410836 812844107 /nfs/dbraw/zinc/84/41/07/812844107.db2.gz OYIRAWDFQUDQSR-CVEARBPZSA-N 2 1 295.471 2.264 20 30 CEEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)CC[C@H]1C ZINC001132410836 812844116 /nfs/dbraw/zinc/84/41/16/812844116.db2.gz OYIRAWDFQUDQSR-CVEARBPZSA-N 2 1 295.471 2.264 20 30 CEEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)CC[C@H]1C ZINC001132410836 812844125 /nfs/dbraw/zinc/84/41/25/812844125.db2.gz OYIRAWDFQUDQSR-CVEARBPZSA-N 2 1 295.471 2.264 20 30 CEEDMP C=CC[N@H+]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001052562203 813004777 /nfs/dbraw/zinc/00/47/77/813004777.db2.gz MHZUXURPFFTREK-OAHLLOKOSA-N 2 1 298.390 2.105 20 30 CEEDMP C=CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CC[N@H+](C)CCC ZINC001135995459 813582286 /nfs/dbraw/zinc/58/22/86/813582286.db2.gz FXOJEXNUTWXYDN-GJZGRUSLSA-N 2 1 283.460 2.167 20 30 CEEDMP C=CC[N@@H+]1CCC[C@@H]1c1ccc(N[C@H]([NH3+])CCC[NH3+])cc1 ZINC001170907119 813632476 /nfs/dbraw/zinc/63/24/76/813632476.db2.gz ZRUDWKFNIKDCCH-SJORKVTESA-N 3 1 288.439 2.445 20 30 CEEDMP C=CCCCCCC[C@H](O)C[N@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001246046931 813667138 /nfs/dbraw/zinc/66/71/38/813667138.db2.gz RKXCOZXIBSNRTN-IKGGRYGDSA-N 2 1 280.456 2.415 20 30 CEEDMP C=C(C)CC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001146333486 814275045 /nfs/dbraw/zinc/27/50/45/814275045.db2.gz OHSUQKLKWPFRAC-ZIAGYGMSSA-N 2 1 292.427 2.031 20 30 CEEDMP CCCCCCC[C@H](C)[N@@H+]1C[C@@H](C(=O)OC)[C@H](N)C1 ZINC001246929545 814430443 /nfs/dbraw/zinc/43/04/43/814430443.db2.gz FVFBUPRWSPLSSZ-BFHYXJOUSA-N 2 1 270.417 2.168 20 30 CEEDMP N#Cc1ccc(C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC000601335114 346823822 /nfs/dbraw/zinc/82/38/22/346823822.db2.gz QGJLJEFFNOJMTO-JKSUJKDBSA-N 2 1 255.365 2.132 20 30 CEEDMP N#Cc1ccc(C[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC000601335114 346823823 /nfs/dbraw/zinc/82/38/23/346823823.db2.gz QGJLJEFFNOJMTO-JKSUJKDBSA-N 2 1 255.365 2.132 20 30 CEEDMP C#CCOc1ccccc1C[NH2+]C[C@H]1CC[N@@H+](CC)C1 ZINC000037644241 361916562 /nfs/dbraw/zinc/91/65/62/361916562.db2.gz FADTWXNDTZHOHT-OAHLLOKOSA-N 2 1 272.392 2.130 20 30 CEEDMP C#CCOc1ccccc1C[NH2+]C[C@H]1CC[N@H+](CC)C1 ZINC000037644241 361916567 /nfs/dbraw/zinc/91/65/67/361916567.db2.gz FADTWXNDTZHOHT-OAHLLOKOSA-N 2 1 272.392 2.130 20 30 CEEDMP C=CCOc1ccc(C[N@@H+](C)CC2CN(C)C2)cc1OC ZINC000668538267 539192990 /nfs/dbraw/zinc/19/29/90/539192990.db2.gz YJWTXXBCZOTEFY-UHFFFAOYSA-N 2 1 290.407 2.253 20 30 CEEDMP C=CCNC(=O)[C@@H](C)[NH+]1CCC(C[N@H+](C)CCCC)CC1 ZINC000066960875 343727981 /nfs/dbraw/zinc/72/79/81/343727981.db2.gz OVBSGLDCGDXORF-OAHLLOKOSA-N 2 1 295.471 2.121 20 30 CEEDMP N#Cc1ccccc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252877003 344642316 /nfs/dbraw/zinc/64/23/16/344642316.db2.gz WLUUGQCIVYFAQZ-JYJNAYRXSA-N 2 1 255.365 2.117 20 30 CEEDMP C=CCC[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1)C1CC1 ZINC000363522617 344810255 /nfs/dbraw/zinc/81/02/55/344810255.db2.gz PZHXMFYAQLZCRU-JYJNAYRXSA-N 2 1 264.413 2.184 20 30 CEEDMP C=CCC[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1)C1CC1 ZINC000363522617 344810256 /nfs/dbraw/zinc/81/02/56/344810256.db2.gz PZHXMFYAQLZCRU-JYJNAYRXSA-N 2 1 264.413 2.184 20 30 CEEDMP N#Cc1ccc(C[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc1 ZINC000593736976 345530011 /nfs/dbraw/zinc/53/00/11/345530011.db2.gz PKIUGQVGLJUBGC-RCCFBDPRSA-N 2 1 299.418 2.277 20 30 CEEDMP C[C@H]1C[C@@H](C[N@H+]2Cc3ccc(C#N)cc3C2)CC[NH2+]1 ZINC000594581062 345650775 /nfs/dbraw/zinc/65/07/75/345650775.db2.gz JDJPCGDHZYTUPX-JSGCOSHPSA-N 2 1 255.365 2.262 20 30 CEEDMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600718365 346677976 /nfs/dbraw/zinc/67/79/76/346677976.db2.gz WWQBHTLFFWPUGS-JKSUJKDBSA-N 2 1 293.455 2.285 20 30 CEEDMP C[C@@H]1C[C@@H](C[N@H+]2CCc3c(CC#N)cccc3C2)CC[NH2+]1 ZINC000600771003 346687200 /nfs/dbraw/zinc/68/72/00/346687200.db2.gz FRYDTHAEMKDENS-CABCVRRESA-N 2 1 283.419 2.499 20 30 CEEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C[C@@H](C)CCC#N ZINC000602657981 347127813 /nfs/dbraw/zinc/12/78/13/347127813.db2.gz VSWGJRPUIOOLQF-IRXDYDNUSA-N 2 1 294.487 2.274 20 30 CEEDMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC000069160334 362956042 /nfs/dbraw/zinc/95/60/42/362956042.db2.gz JKFYIKIOEYODMO-MRXNPFEDSA-N 2 1 257.381 2.380 20 30 CEEDMP C#CCOc1ccc(C[NH2+]CC2=CC[N@@H+](C)CC2)cc1 ZINC000271874952 191382440 /nfs/dbraw/zinc/38/24/40/191382440.db2.gz YYXDXWGPGIXEPP-UHFFFAOYSA-N 2 1 270.376 2.050 20 30 CEEDMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cccc(C#N)c1 ZINC000271887294 191389181 /nfs/dbraw/zinc/38/91/81/191389181.db2.gz QZPUQQATVWBPEG-ZDUSSCGKSA-N 2 1 255.365 2.471 20 30 CEEDMP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1cccc(C#N)c1 ZINC000271864719 191375729 /nfs/dbraw/zinc/37/57/29/191375729.db2.gz LDRPFIXXURHNSD-CQSZACIVSA-N 2 1 287.407 2.056 20 30 CEEDMP COc1ccc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)cc1C#N ZINC000135096608 366395578 /nfs/dbraw/zinc/39/55/78/366395578.db2.gz WSVXQGLKKIPIPV-HNNXBMFYSA-N 2 1 287.407 2.340 20 30 CEEDMP COc1ccc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)cc1C#N ZINC000135096608 366395588 /nfs/dbraw/zinc/39/55/88/366395588.db2.gz WSVXQGLKKIPIPV-HNNXBMFYSA-N 2 1 287.407 2.340 20 30 CEEDMP COc1ccc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)cc1C#N ZINC000135096608 366395599 /nfs/dbraw/zinc/39/55/99/366395599.db2.gz WSVXQGLKKIPIPV-HNNXBMFYSA-N 2 1 287.407 2.340 20 30 CEEDMP COc1ccc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)cc1C#N ZINC000135096608 366395608 /nfs/dbraw/zinc/39/56/08/366395608.db2.gz WSVXQGLKKIPIPV-HNNXBMFYSA-N 2 1 287.407 2.340 20 30 CEEDMP COc1ccc(C[N@@H+](C)CC2CC[NH+](C)CC2)cc1C#N ZINC000087833397 363872552 /nfs/dbraw/zinc/87/25/52/363872552.db2.gz WDVAYOVPADHDOR-UHFFFAOYSA-N 2 1 287.407 2.340 20 30 CEEDMP N#Cc1csc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000093492338 364192104 /nfs/dbraw/zinc/19/21/04/364192104.db2.gz VRCJNUVTECRNPJ-NSHDSACASA-N 2 1 261.394 2.194 20 30 CEEDMP N#Cc1csc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000093492338 364192111 /nfs/dbraw/zinc/19/21/11/364192111.db2.gz VRCJNUVTECRNPJ-NSHDSACASA-N 2 1 261.394 2.194 20 30 CEEDMP C[N@H+](CCCC#N)[C@@H]1CCC[NH+](CCCC#N)CC1 ZINC000156990735 366840201 /nfs/dbraw/zinc/84/02/01/366840201.db2.gz QUSXEDVONRXZEG-OAHLLOKOSA-N 2 1 262.401 2.380 20 30 CEEDMP C[N@@H+](CCCC#N)[C@@H]1CCC[NH+](CCCC#N)CC1 ZINC000156990735 366840206 /nfs/dbraw/zinc/84/02/06/366840206.db2.gz QUSXEDVONRXZEG-OAHLLOKOSA-N 2 1 262.401 2.380 20 30 CEEDMP C[NH+](CCCC#N)[C@@H]1CCC[N@H+](CCCC#N)CC1 ZINC000156990735 366840210 /nfs/dbraw/zinc/84/02/10/366840210.db2.gz QUSXEDVONRXZEG-OAHLLOKOSA-N 2 1 262.401 2.380 20 30 CEEDMP C[NH+](CCCC#N)[C@@H]1CCC[N@@H+](CCCC#N)CC1 ZINC000156990735 366840214 /nfs/dbraw/zinc/84/02/14/366840214.db2.gz QUSXEDVONRXZEG-OAHLLOKOSA-N 2 1 262.401 2.380 20 30 CEEDMP C[N@@H+](Cc1ccc(F)c(C#N)c1)C[C@H]1CCC[NH+](C)C1 ZINC000121100861 365523649 /nfs/dbraw/zinc/52/36/49/365523649.db2.gz ZVLLJIRMYQRSLK-AWEZNQCLSA-N 2 1 275.371 2.471 20 30 CEEDMP C[N@H+](Cc1ccc(F)c(C#N)c1)C[C@H]1CCC[NH+](C)C1 ZINC000121100861 365523654 /nfs/dbraw/zinc/52/36/54/365523654.db2.gz ZVLLJIRMYQRSLK-AWEZNQCLSA-N 2 1 275.371 2.471 20 30 CEEDMP C[NH+](Cc1ccc(F)c(C#N)c1)C[C@H]1CCC[N@H+](C)C1 ZINC000121100861 365523659 /nfs/dbraw/zinc/52/36/59/365523659.db2.gz ZVLLJIRMYQRSLK-AWEZNQCLSA-N 2 1 275.371 2.471 20 30 CEEDMP C[NH+](Cc1ccc(F)c(C#N)c1)C[C@H]1CCC[N@@H+](C)C1 ZINC000121100861 365523660 /nfs/dbraw/zinc/52/36/60/365523660.db2.gz ZVLLJIRMYQRSLK-AWEZNQCLSA-N 2 1 275.371 2.471 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCO[C@H](C)C2)CC1 ZINC000359394644 260872075 /nfs/dbraw/zinc/87/20/75/260872075.db2.gz UCSHWHZURBWDRY-HIFRSBDPSA-N 2 1 252.402 2.184 20 30 CEEDMP C[C@@H]1C[C@H]([NH2+]CCc2cccc(C#N)c2)CC[N@H+]1C ZINC000343553171 367880012 /nfs/dbraw/zinc/88/00/12/367880012.db2.gz PJNJOZBLXAWRJC-CZUORRHYSA-N 2 1 257.381 2.173 20 30 CEEDMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(OC)c(C#N)c2)C1 ZINC000174299504 368007050 /nfs/dbraw/zinc/00/70/50/368007050.db2.gz GPLIJLSBCZDXRU-OAHLLOKOSA-N 2 1 287.407 2.388 20 30 CEEDMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(OC)c(C#N)c2)C1 ZINC000174299504 368007060 /nfs/dbraw/zinc/00/70/60/368007060.db2.gz GPLIJLSBCZDXRU-OAHLLOKOSA-N 2 1 287.407 2.388 20 30 CEEDMP C=CCOc1ccc(C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cc1 ZINC000346694232 368775920 /nfs/dbraw/zinc/77/59/20/368775920.db2.gz SUHIXZLLOSSJHB-DZGCQCFKSA-N 2 1 260.381 2.421 20 30 CEEDMP C=CCOc1ccccc1C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000346650725 368751374 /nfs/dbraw/zinc/75/13/74/368751374.db2.gz PZDPXEWYBJQQHL-UONOGXRCSA-N 2 1 260.381 2.421 20 30 CEEDMP C=CCCC(C)(C)C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000634725231 368840102 /nfs/dbraw/zinc/84/01/02/368840102.db2.gz LWLCPBTUURJGEH-AWEZNQCLSA-N 2 1 254.418 2.024 20 30 CEEDMP C=CCCC(C)(C)C[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000634725231 368840107 /nfs/dbraw/zinc/84/01/07/368840107.db2.gz LWLCPBTUURJGEH-AWEZNQCLSA-N 2 1 254.418 2.024 20 30 CEEDMP C=CCOc1ccc(C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)cc1 ZINC000346694235 368777260 /nfs/dbraw/zinc/77/72/60/368777260.db2.gz SUHIXZLLOSSJHB-ZFWWWQNUSA-N 2 1 260.381 2.421 20 30 CEEDMP C[C@@H]1C[C@H](C)C[N@H+](CCCNCc2nc(C#N)cs2)C1 ZINC000352841433 369908028 /nfs/dbraw/zinc/90/80/28/369908028.db2.gz RGCPWHJMVSDFKF-BETUJISGSA-N 2 1 292.452 2.472 20 30 CEEDMP C[C@H](CNC(=[NH2+])NC(C)(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000264118742 371974365 /nfs/dbraw/zinc/97/43/65/371974365.db2.gz UIOSTICPACFNQF-CYBMUJFWSA-N 2 1 288.439 2.136 20 30 CEEDMP C[C@H](CNC(=[NH2+])NC(C)(C)C)[N@H+]1CCc2ccccc2C1 ZINC000264118742 371974373 /nfs/dbraw/zinc/97/43/73/371974373.db2.gz UIOSTICPACFNQF-CYBMUJFWSA-N 2 1 288.439 2.136 20 30 CEEDMP C[NH+](C)[C@H]1CCC[N@H+](CCOc2cccc(C#N)c2)CC1 ZINC000277186253 374431237 /nfs/dbraw/zinc/43/12/37/374431237.db2.gz LOURXDWDECDWCO-INIZCTEOSA-N 2 1 287.407 2.353 20 30 CEEDMP C[NH+](C)[C@H]1CCC[N@@H+](CCOc2cccc(C#N)c2)CC1 ZINC000277186253 374431241 /nfs/dbraw/zinc/43/12/41/374431241.db2.gz LOURXDWDECDWCO-INIZCTEOSA-N 2 1 287.407 2.353 20 30 CEEDMP CN1CC[C@H]2CC[N@@H+](CCCC3(C#N)CCOCC3)[C@@H]2C1 ZINC000375213768 374646754 /nfs/dbraw/zinc/64/67/54/374646754.db2.gz BWEMDINQSKYTQQ-JKSUJKDBSA-N 2 1 291.439 2.113 20 30 CEEDMP C[N@@H+]1CC[C@H]2CCN(CCCC3(C#N)CCOCC3)[C@@H]2C1 ZINC000375213768 374646764 /nfs/dbraw/zinc/64/67/64/374646764.db2.gz BWEMDINQSKYTQQ-JKSUJKDBSA-N 2 1 291.439 2.113 20 30 CEEDMP C[N@H+]1CC[C@H]2CCN(CCCC3(C#N)CCOCC3)[C@@H]2C1 ZINC000375213768 374646770 /nfs/dbraw/zinc/64/67/70/374646770.db2.gz BWEMDINQSKYTQQ-JKSUJKDBSA-N 2 1 291.439 2.113 20 30 CEEDMP C[N@@H+]1CC[C@H]2CC[NH+](CCCC3(C#N)CCOCC3)[C@@H]2C1 ZINC000375213768 374646785 /nfs/dbraw/zinc/64/67/85/374646785.db2.gz BWEMDINQSKYTQQ-JKSUJKDBSA-N 2 1 291.439 2.113 20 30 CEEDMP C[N@H+]1CC[C@H]2CC[NH+](CCCC3(C#N)CCOCC3)[C@@H]2C1 ZINC000375213768 374646794 /nfs/dbraw/zinc/64/67/94/374646794.db2.gz BWEMDINQSKYTQQ-JKSUJKDBSA-N 2 1 291.439 2.113 20 30 CEEDMP C[NH+]1CC[C@H]2CC[N@H+](CCCC3(C#N)CCOCC3)[C@@H]2C1 ZINC000375213768 374646800 /nfs/dbraw/zinc/64/68/00/374646800.db2.gz BWEMDINQSKYTQQ-JKSUJKDBSA-N 2 1 291.439 2.113 20 30 CEEDMP C[NH+]1CC[C@H]2CC[N@@H+](CCCC3(C#N)CCOCC3)[C@@H]2C1 ZINC000375213768 374646807 /nfs/dbraw/zinc/64/68/07/374646807.db2.gz BWEMDINQSKYTQQ-JKSUJKDBSA-N 2 1 291.439 2.113 20 30 CEEDMP COc1cc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)ccc1C#N ZINC000397295192 375339778 /nfs/dbraw/zinc/33/97/78/375339778.db2.gz ZIVLOJUVIAXTSG-WWGRRREGSA-N 2 1 287.407 2.372 20 30 CEEDMP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccc(C#N)o2)C1 ZINC000290303372 376725194 /nfs/dbraw/zinc/72/51/94/376725194.db2.gz BMOBFALAZRCPBS-SWLSCSKDSA-N 2 1 259.353 2.067 20 30 CEEDMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccc(C#N)o2)C1 ZINC000290303372 376725199 /nfs/dbraw/zinc/72/51/99/376725199.db2.gz BMOBFALAZRCPBS-SWLSCSKDSA-N 2 1 259.353 2.067 20 30 CEEDMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccc(C#N)o2)C1 ZINC000290303372 376725205 /nfs/dbraw/zinc/72/52/05/376725205.db2.gz BMOBFALAZRCPBS-SWLSCSKDSA-N 2 1 259.353 2.067 20 30 CEEDMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccc(C#N)o2)C1 ZINC000290303372 376725208 /nfs/dbraw/zinc/72/52/08/376725208.db2.gz BMOBFALAZRCPBS-SWLSCSKDSA-N 2 1 259.353 2.067 20 30 CEEDMP N#Cc1csc(C[NH2+]C[C@H]2CCc3[nH+]ccn3C2)c1 ZINC000328627639 376863994 /nfs/dbraw/zinc/86/39/94/376863994.db2.gz GJVAIRHKWYHKPG-LLVKDONJSA-N 2 1 272.377 2.168 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)[C@@H](OC)c1ccccc1 ZINC000295042295 378035328 /nfs/dbraw/zinc/03/53/28/378035328.db2.gz POOOEJLXMGASEO-NVXWUHKLSA-N 2 1 274.408 2.307 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)[C@@H](OC)c1ccccc1 ZINC000295042295 378035335 /nfs/dbraw/zinc/03/53/35/378035335.db2.gz POOOEJLXMGASEO-NVXWUHKLSA-N 2 1 274.408 2.307 20 30 CEEDMP COc1ccc(C[NH2+]CCCn2cc[nH+]c2C)cc1C#N ZINC000266247145 190243251 /nfs/dbraw/zinc/24/32/51/190243251.db2.gz ZBFRCAVPDZOGFR-UHFFFAOYSA-N 2 1 284.363 2.252 20 30 CEEDMP CCN(CC)C(=[NH2+])NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000267449779 394679256 /nfs/dbraw/zinc/67/92/56/394679256.db2.gz RCZBZZSMTDHQBK-INIZCTEOSA-N 2 1 288.439 2.308 20 30 CEEDMP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccc(C#N)c(F)c1 ZINC000423374686 394905768 /nfs/dbraw/zinc/90/57/68/394905768.db2.gz HZHZZYQPQKDERL-UHIISALHSA-N 2 1 261.344 2.488 20 30 CEEDMP C=C(C)C[NH+]1CCC(N[C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)CC1 ZINC000152987791 394999771 /nfs/dbraw/zinc/99/97/71/394999771.db2.gz UJXJPQWECWHXIS-BFYDXBDKSA-N 2 1 279.472 2.345 20 30 CEEDMP CC[NH+](CC)CCC[N@H+](CC)Cc1cc(C#N)n(C)c1 ZINC000289187955 395071421 /nfs/dbraw/zinc/07/14/21/395071421.db2.gz BBNVSOKAKOOUNO-UHFFFAOYSA-N 2 1 276.428 2.451 20 30 CEEDMP CC[NH+](CC)CCC[N@@H+](CC)Cc1cc(C#N)n(C)c1 ZINC000289187955 395071424 /nfs/dbraw/zinc/07/14/24/395071424.db2.gz BBNVSOKAKOOUNO-UHFFFAOYSA-N 2 1 276.428 2.451 20 30 CEEDMP C=CCOc1cccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000427098782 395092488 /nfs/dbraw/zinc/09/24/88/395092488.db2.gz CMKCBGUAPNBLCD-RDJZCZTQSA-N 2 1 272.392 2.435 20 30 CEEDMP C=CCOc1cccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000427098782 395092491 /nfs/dbraw/zinc/09/24/91/395092491.db2.gz CMKCBGUAPNBLCD-RDJZCZTQSA-N 2 1 272.392 2.435 20 30 CEEDMP C=CCOc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cc1OC ZINC000346993971 395116199 /nfs/dbraw/zinc/11/61/99/395116199.db2.gz BASYAQOHGHUMOX-DZGCQCFKSA-N 2 1 290.407 2.429 20 30 CEEDMP C=CCOc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cc1OC ZINC000346993971 395116202 /nfs/dbraw/zinc/11/62/02/395116202.db2.gz BASYAQOHGHUMOX-DZGCQCFKSA-N 2 1 290.407 2.429 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+]CCC(C)(C)C(=O)OC)CC1 ZINC000354333253 395326295 /nfs/dbraw/zinc/32/62/95/395326295.db2.gz XQXGPLNNNSNYPH-UHFFFAOYSA-N 2 1 282.428 2.206 20 30 CEEDMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(C#N)c(C)c2)C1 ZINC000443968543 395408440 /nfs/dbraw/zinc/40/84/40/395408440.db2.gz FHQDAQVADMZXRX-OAHLLOKOSA-N 2 1 257.381 2.298 20 30 CEEDMP CN1CCCC(C)(C)[C@@H]1C[NH2+]C[C@H](C#N)CCC#N ZINC000573068623 395599383 /nfs/dbraw/zinc/59/93/83/395599383.db2.gz WXXJMJMGLZEOHX-KBPBESRZSA-N 2 1 262.401 2.140 20 30 CEEDMP C[N@@H+](Cc1ccc(C#N)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746521 174391520 /nfs/dbraw/zinc/39/15/20/174391520.db2.gz NQCTYSTUASDBSL-XYPWUTKMSA-N 2 1 255.365 2.273 20 30 CEEDMP C=CC[N@@H+](CCC[NH+]1CCCCC1)[C@H](C)COC ZINC000661239335 415150714 /nfs/dbraw/zinc/15/07/14/415150714.db2.gz FVUWVUWZJRHVKG-OAHLLOKOSA-N 2 1 254.418 2.385 20 30 CEEDMP C=CC[N@H+](CCC[NH+]1CCCCC1)[C@H](C)COC ZINC000661239335 415150719 /nfs/dbraw/zinc/15/07/19/415150719.db2.gz FVUWVUWZJRHVKG-OAHLLOKOSA-N 2 1 254.418 2.385 20 30 CEEDMP C=CC[N@@H+](Cc1cccc2c1CC[NH2+]C2)[C@H](C)COC ZINC000662299709 415763058 /nfs/dbraw/zinc/76/30/58/415763058.db2.gz VUEUMGMGMNMBPJ-CQSZACIVSA-N 2 1 274.408 2.355 20 30 CEEDMP CCc1cccc(NC(=[NH2+])NC[C@@H]2CCC[N@H+]2C)c1 ZINC000264127182 262876909 /nfs/dbraw/zinc/87/69/09/262876909.db2.gz WUVNUACXRGSARH-AWEZNQCLSA-N 2 1 260.385 2.070 20 30 CEEDMP CCC[NH2+]CC[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000423307842 267025692 /nfs/dbraw/zinc/02/56/92/267025692.db2.gz HXTVHQHAZYZPAW-UHFFFAOYSA-N 2 1 286.423 2.116 20 30 CEEDMP CC[C@@H]([NH2+]CCOc1ccc(C#N)cc1)[C@@H]1CCC[NH2+]1 ZINC000422989020 267194913 /nfs/dbraw/zinc/19/49/13/267194913.db2.gz KJKHXBTXBMFJPW-CVEARBPZSA-N 2 1 273.380 2.057 20 30 CEEDMP C=CCC[C@@H](O)C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000531867918 328052592 /nfs/dbraw/zinc/05/25/92/328052592.db2.gz XRRIRVPCVXDJBG-MRXNPFEDSA-N 2 1 268.445 2.366 20 30 CEEDMP C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000173615765 329150023 /nfs/dbraw/zinc/15/00/23/329150023.db2.gz HPQTWBRIBATTJP-OAHLLOKOSA-N 2 1 295.471 2.262 20 30 CEEDMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CCC[C@H](C#N)C2)CC1 ZINC000185777308 329331541 /nfs/dbraw/zinc/33/15/41/329331541.db2.gz FPCIZMCQNYFEIM-DLBZAZTESA-N 2 1 292.471 2.076 20 30 CEEDMP C=C(C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)c1ccccc1 ZINC000423022873 330165731 /nfs/dbraw/zinc/16/57/31/330165731.db2.gz GIUFBNHLMBMBAM-KURKYZTESA-N 2 1 286.419 2.447 20 30 CEEDMP CC(C)(CCC#N)C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000423130000 330171685 /nfs/dbraw/zinc/17/16/85/330171685.db2.gz RQDZTOQGICPABC-KFWWJZLASA-N 2 1 279.428 2.063 20 30 CEEDMP C[NH+](C)Cc1ccc(-c2noc([C@H]([NH3+])CCCC#N)n2)cc1 ZINC000424338967 330343859 /nfs/dbraw/zinc/34/38/59/330343859.db2.gz PHCHZNGYQOWHRT-CQSZACIVSA-N 2 1 299.378 2.492 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCC[C@H]1CCCF ZINC000491209491 332166300 /nfs/dbraw/zinc/16/63/00/332166300.db2.gz HYPPNWMWUXBDSU-GJZGRUSLSA-N 2 1 254.393 2.450 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCC[C@H]1CCCF ZINC000491209491 332166301 /nfs/dbraw/zinc/16/63/01/332166301.db2.gz HYPPNWMWUXBDSU-GJZGRUSLSA-N 2 1 254.393 2.450 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](O)Cc2ccccc2)CC1 ZINC000577385734 335346454 /nfs/dbraw/zinc/34/64/54/335346454.db2.gz NLEQUUNJHDAGKP-GOSISDBHSA-N 2 1 288.435 2.220 20 30 CEEDMP C=CCOc1ccccc1C[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000347145709 526933377 /nfs/dbraw/zinc/93/33/77/526933377.db2.gz YBDIDCVRTKLFTE-DZGCQCFKSA-N 2 1 260.381 2.421 20 30 CEEDMP C=CCOc1ccccc1C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000347145709 526933381 /nfs/dbraw/zinc/93/33/81/526933381.db2.gz YBDIDCVRTKLFTE-DZGCQCFKSA-N 2 1 260.381 2.421 20 30 CEEDMP C[N@@H+](Cc1ccccc1)CC(C)(C)C=[NH+]n1cnnc1 ZINC000747624417 575172737 /nfs/dbraw/zinc/17/27/37/575172737.db2.gz MXKXCVJIPRLPSS-UHFFFAOYSA-N 2 1 271.368 2.270 20 30 CEEDMP C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000971873601 613286990 /nfs/dbraw/zinc/28/69/90/613286990.db2.gz XOANWFNYQUPHSM-OAHLLOKOSA-N 2 1 298.390 2.057 20 30 CEEDMP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(C#N)cn1 ZINC000817931109 633785368 /nfs/dbraw/zinc/78/53/68/633785368.db2.gz JACDERZHRLYNHW-ZFWWWQNUSA-N 2 1 272.396 2.354 20 30 CEEDMP C=C(C)C[C@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903218549 635020440 /nfs/dbraw/zinc/02/04/40/635020440.db2.gz DFJOVIXZENCBJI-XLQNHZQQSA-N 2 1 264.413 2.061 20 30 CEEDMP N#CC1CCC(C[N@@H+]2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)CC1 ZINC000903479350 635148059 /nfs/dbraw/zinc/14/80/59/635148059.db2.gz UQQJZUOWXYHKFG-TUUUFIMRSA-N 2 1 289.345 2.385 20 30 CEEDMP C=CC[C@@H]1CC[N@@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903769245 635259950 /nfs/dbraw/zinc/25/99/50/635259950.db2.gz AOXZSWUWIJCYSR-HUUCEWRRSA-N 2 1 264.413 2.043 20 30 CEEDMP C=CCOc1ccc(C[N@@H+]2CC[C@H](CC[NH3+])C2)cc1 ZINC000904411401 635619464 /nfs/dbraw/zinc/61/94/64/635619464.db2.gz VBDOCYPYOVVILM-HNNXBMFYSA-N 2 1 260.381 2.422 20 30 CEEDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@](C)(C#N)C3)cc2)CC1 ZINC000827650653 636376285 /nfs/dbraw/zinc/37/62/85/636376285.db2.gz SRTYBOZCANSIAP-SFHVURJKSA-N 2 1 298.434 2.174 20 30 CEEDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@](C)(C#N)C3)cc2)CC1 ZINC000827650653 636376289 /nfs/dbraw/zinc/37/62/89/636376289.db2.gz SRTYBOZCANSIAP-SFHVURJKSA-N 2 1 298.434 2.174 20 30 CEEDMP C#Cc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000834903818 637982434 /nfs/dbraw/zinc/98/24/34/637982434.db2.gz STAXHSRACMBIET-ALOPSCKCSA-N 2 1 254.377 2.383 20 30 CEEDMP CCC[NH+]=C(NC[C@@H]1CC[N@@H+](CCC)C1)NC(C)(C)C ZINC000912509288 638712716 /nfs/dbraw/zinc/71/27/16/638712716.db2.gz AHYZDXCHGYVONR-AWEZNQCLSA-N 2 1 282.476 2.462 20 30 CEEDMP C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000845935139 641132325 /nfs/dbraw/zinc/13/23/25/641132325.db2.gz LDJDXCNBGMPPQQ-FXUDXRNXSA-N 2 1 264.413 2.184 20 30 CEEDMP C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000845935139 641132328 /nfs/dbraw/zinc/13/23/28/641132328.db2.gz LDJDXCNBGMPPQQ-FXUDXRNXSA-N 2 1 264.413 2.184 20 30 CEEDMP C#C[C@@H]1CCC[NH+]([C@@H](C)CC[N@H+]2CCC[C@@H](C#C)C2)C1 ZINC000847020237 641525246 /nfs/dbraw/zinc/52/52/46/641525246.db2.gz AGTGJCVNSIAALW-RCCFBDPRSA-N 2 1 272.436 2.455 20 30 CEEDMP C#C[C@@H]1CCC[NH+](CC[C@H](C)[N@@H+]2CCC[C@@H](C#C)C2)C1 ZINC000847020237 641525253 /nfs/dbraw/zinc/52/52/53/641525253.db2.gz AGTGJCVNSIAALW-RCCFBDPRSA-N 2 1 272.436 2.455 20 30 CEEDMP C#C[C@@H]1CCC[NH+](CC[C@H](C)[N@H+]2CCC[C@@H](C#C)C2)C1 ZINC000847020237 641525260 /nfs/dbraw/zinc/52/52/60/641525260.db2.gz AGTGJCVNSIAALW-RCCFBDPRSA-N 2 1 272.436 2.455 20 30 CEEDMP CC[NH+]=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N1CCC[C@H](C)C1 ZINC000072891362 641986702 /nfs/dbraw/zinc/98/67/02/641986702.db2.gz PUADIMVLKNUFHG-GJZGRUSLSA-N 2 1 292.471 2.168 20 30 CEEDMP C[C@H]1CC[N@@H+](CC[NH+]=C(NCc2ccccc2)N(C)C)C1 ZINC000849004145 642221277 /nfs/dbraw/zinc/22/12/77/642221277.db2.gz BUVSVQDPVMOPNI-HNNXBMFYSA-N 2 1 288.439 2.036 20 30 CEEDMP C[NH+]=C(NCC[N@H+]1CCCC(C)(C)C1)NCc1ccco1 ZINC000849023173 642236812 /nfs/dbraw/zinc/23/68/12/642236812.db2.gz SOFPMOIUAFWMFN-UHFFFAOYSA-N 2 1 292.427 2.067 20 30 CEEDMP C=C(C)C[NH2+]C1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC000997367215 642242970 /nfs/dbraw/zinc/24/29/70/642242970.db2.gz XRELCUNSLUHACY-MRXNPFEDSA-N 2 1 293.455 2.018 20 30 CEEDMP C#CCCCCCC[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000877639798 650829624 /nfs/dbraw/zinc/82/96/24/650829624.db2.gz GAWOCOVWPMQQRX-KRWDZBQOSA-N 2 1 278.440 2.101 20 30 CEEDMP C=CC[N@H+](Cc1cccs1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923301358 643649478 /nfs/dbraw/zinc/64/94/78/643649478.db2.gz FXVXPWQYCPMPRJ-ZDUSSCGKSA-N 2 1 278.421 2.115 20 30 CEEDMP N#Cc1ccc([C@H](O)C[NH2+][C@@H](C[NH3+])C2CCCCC2)cc1 ZINC000923374183 643684317 /nfs/dbraw/zinc/68/43/17/643684317.db2.gz RZAGKMATVYHNAU-DLBZAZTESA-N 2 1 287.407 2.089 20 30 CEEDMP C=CC[C@@H](C(=O)OC)[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000878047610 650983302 /nfs/dbraw/zinc/98/33/02/650983302.db2.gz IWNOJCBSWNAXTD-HNNXBMFYSA-N 2 1 282.428 2.156 20 30 CEEDMP C=CC[C@H](C)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000878301976 651059030 /nfs/dbraw/zinc/05/90/30/651059030.db2.gz FEIDNTHFOSGLRE-PMRDEQMMSA-N 2 1 277.456 2.194 20 30 CEEDMP C#CC[N@@H+](CC#CC)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000769448614 646269185 /nfs/dbraw/zinc/26/91/85/646269185.db2.gz VEBMFHSWQRBXNX-UHFFFAOYSA-N 2 1 284.403 2.086 20 30 CEEDMP C#CC[N@H+](CC#CC)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000769448614 646269187 /nfs/dbraw/zinc/26/91/87/646269187.db2.gz VEBMFHSWQRBXNX-UHFFFAOYSA-N 2 1 284.403 2.086 20 30 CEEDMP C[C@@H](CC#N)[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775677817 646980344 /nfs/dbraw/zinc/98/03/44/646980344.db2.gz RJTBCCOQHQBHHA-HNNXBMFYSA-N 2 1 286.423 2.172 20 30 CEEDMP C[C@@H](CC#N)[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775677817 646980348 /nfs/dbraw/zinc/98/03/48/646980348.db2.gz RJTBCCOQHQBHHA-HNNXBMFYSA-N 2 1 286.423 2.172 20 30 CEEDMP C[C@H]1C[C@H](C[N@@H+](C)CCc2cccc(C#N)c2)CC[NH2+]1 ZINC000873219019 649595036 /nfs/dbraw/zinc/59/50/36/649595036.db2.gz CRNPNHKVLOSFHH-WMLDXEAASA-N 2 1 271.408 2.421 20 30 CEEDMP C#CC[C@H](CO)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000883125089 652369936 /nfs/dbraw/zinc/36/99/36/652369936.db2.gz YOWSNWXXEYSIIA-BPQIPLTHSA-N 2 1 286.419 2.013 20 30 CEEDMP C#CC[C@H](CO)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000883125089 652369939 /nfs/dbraw/zinc/36/99/39/652369939.db2.gz YOWSNWXXEYSIIA-BPQIPLTHSA-N 2 1 286.419 2.013 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1cc2ccccc2n1C ZINC000883131192 652373028 /nfs/dbraw/zinc/37/30/28/652373028.db2.gz NCOXRSWSLNYYHS-UHFFFAOYSA-N 2 1 269.392 2.223 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+]Cc1cc2ccccc2n1C ZINC000883131192 652373031 /nfs/dbraw/zinc/37/30/31/652373031.db2.gz NCOXRSWSLNYYHS-UHFFFAOYSA-N 2 1 269.392 2.223 20 30 CEEDMP C=CCC[C@H]([NH2+]CCc1c[nH+]cn1C)[C@@H]1CCCO1 ZINC000883217113 652403049 /nfs/dbraw/zinc/40/30/49/652403049.db2.gz BTOANDZPUUXSNR-GJZGRUSLSA-N 2 1 263.385 2.066 20 30 CEEDMP C=CCCC[NH2+]CCCNC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001168029962 805822499 /nfs/dbraw/zinc/82/24/99/805822499.db2.gz LAFMPYSVLJZJHU-JKSUJKDBSA-N 2 1 293.455 2.065 20 30 CEEDMP C=C(C)CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001271311663 805911926 /nfs/dbraw/zinc/91/19/26/805911926.db2.gz QBTPMGAOQGTJQP-CVEARBPZSA-N 2 1 295.471 2.025 20 30 CEEDMP C=CCC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001267482671 803505056 /nfs/dbraw/zinc/50/50/56/803505056.db2.gz URSNYIQAFBQRMY-HOTGVXAUSA-N 2 1 295.471 2.216 20 30 CEEDMP C=CCC[C@H](C)[N@H+]1CCC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001267617801 803624142 /nfs/dbraw/zinc/62/41/42/803624142.db2.gz KNMYABRMCOALJH-JKSUJKDBSA-N 2 1 295.471 2.264 20 30 CEEDMP C=CCC[C@H](C)[NH+]1CC(NC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001267671746 803650958 /nfs/dbraw/zinc/65/09/58/803650958.db2.gz IXWUDTOOGUFLNH-GOEBONIOSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CCC[C@H](C)[NH+]1CC(NC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001267671746 803650963 /nfs/dbraw/zinc/65/09/63/803650963.db2.gz IXWUDTOOGUFLNH-GOEBONIOSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001171821594 815234250 /nfs/dbraw/zinc/23/42/50/815234250.db2.gz OCSIIUNAOBXBOX-CQSZACIVSA-N 2 1 292.427 2.032 20 30 CEEDMP C=CC[N@@H+]1CCC[C@H]1c1ccc(-n2cnc(CN)n2)cc1 ZINC001168756830 809671766 /nfs/dbraw/zinc/67/17/66/809671766.db2.gz ULNDXMFIXGMKDM-HNNXBMFYSA-N 2 1 283.379 2.049 20 30 CEEDMP C=CC[N@H+]1CCC[C@H]1c1ccc(-n2cnc(C[NH3+])n2)cc1 ZINC001168756830 809671769 /nfs/dbraw/zinc/67/17/69/809671769.db2.gz ULNDXMFIXGMKDM-HNNXBMFYSA-N 2 1 283.379 2.049 20 30 CEEDMP C=CC[N@@H+]1CCC[C@H]1c1ccc(-n2cnc(C[NH3+])n2)cc1 ZINC001168756830 809671774 /nfs/dbraw/zinc/67/17/74/809671774.db2.gz ULNDXMFIXGMKDM-HNNXBMFYSA-N 2 1 283.379 2.049 20 30 CEEDMP COCCC[NH+]1CCC([NH+]2CCC(CC#N)CC2)CC1 ZINC001172256439 815360427 /nfs/dbraw/zinc/36/04/27/815360427.db2.gz WMDOFIGECQHAQQ-UHFFFAOYSA-N 2 1 279.428 2.113 20 30 CEEDMP C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001172304581 815362876 /nfs/dbraw/zinc/36/28/76/815362876.db2.gz OFCYRNJVSQUMBG-QGTPRVQTSA-N 2 1 283.419 2.373 20 30 CEEDMP C[C@@H](Cc1ccc(C#N)cc1)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001172304581 815362881 /nfs/dbraw/zinc/36/28/81/815362881.db2.gz OFCYRNJVSQUMBG-QGTPRVQTSA-N 2 1 283.419 2.373 20 30 CEEDMP C[C@@H](Cc1ccc(C#N)cc1)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001172304581 815362886 /nfs/dbraw/zinc/36/28/86/815362886.db2.gz OFCYRNJVSQUMBG-QGTPRVQTSA-N 2 1 283.419 2.373 20 30 CEEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001015792227 810354889 /nfs/dbraw/zinc/35/48/89/810354889.db2.gz TYABUCLSVZAMKV-HOTGVXAUSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001015792227 810354893 /nfs/dbraw/zinc/35/48/93/810354893.db2.gz TYABUCLSVZAMKV-HOTGVXAUSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001015792227 810354898 /nfs/dbraw/zinc/35/48/98/810354898.db2.gz TYABUCLSVZAMKV-HOTGVXAUSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001015792228 810355698 /nfs/dbraw/zinc/35/56/98/810355698.db2.gz TYABUCLSVZAMKV-HZPDHXFCSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001015792228 810355700 /nfs/dbraw/zinc/35/57/00/810355700.db2.gz TYABUCLSVZAMKV-HZPDHXFCSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001015792228 810355705 /nfs/dbraw/zinc/35/57/05/810355705.db2.gz TYABUCLSVZAMKV-HZPDHXFCSA-N 2 1 293.455 2.016 20 30 CEEDMP C=C(C)C[NH+]1CC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001038781715 810913508 /nfs/dbraw/zinc/91/35/08/810913508.db2.gz PXNLZTSOLOGWQD-JKSUJKDBSA-N 2 1 293.455 2.016 20 30 CEEDMP C=C(C)C[NH+]1CC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001038781715 810913517 /nfs/dbraw/zinc/91/35/17/810913517.db2.gz PXNLZTSOLOGWQD-JKSUJKDBSA-N 2 1 293.455 2.016 20 30 CEEDMP C=C(C)C[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001038781715 810913522 /nfs/dbraw/zinc/91/35/22/810913522.db2.gz PXNLZTSOLOGWQD-JKSUJKDBSA-N 2 1 293.455 2.016 20 30 CEEDMP C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001038781715 810913527 /nfs/dbraw/zinc/91/35/27/810913527.db2.gz PXNLZTSOLOGWQD-JKSUJKDBSA-N 2 1 293.455 2.016 20 30 CEEDMP C[C@@H](CCCC#N)[N@@H+](C1COC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172488598 815450849 /nfs/dbraw/zinc/45/08/49/815450849.db2.gz VASDYIGCRIQLEL-IHRRRGAJSA-N 2 1 265.401 2.039 20 30 CEEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)[C@H](C)C1 ZINC001044630709 811517028 /nfs/dbraw/zinc/51/70/28/811517028.db2.gz YHFALZOKJZGSCC-CABCVRRESA-N 2 1 293.455 2.016 20 30 CEEDMP COc1cc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)ccc1C#N ZINC001206037035 812161162 /nfs/dbraw/zinc/16/11/62/812161162.db2.gz SLJULSDRKKIRHK-UKRRQHHQSA-N 2 1 287.407 2.374 20 30 CEEDMP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)CC1 ZINC001052938031 812476196 /nfs/dbraw/zinc/47/61/96/812476196.db2.gz PKRFUHZPERXDLD-INIZCTEOSA-N 2 1 293.455 2.019 20 30 CEEDMP C=C(C)CC[NH+]1C[C@H](NC(=O)C[N@H+](C)C(C)C)CC[C@@H]1C ZINC001132519071 812874193 /nfs/dbraw/zinc/87/41/93/812874193.db2.gz SEPKCGCKPLLEQH-JKSUJKDBSA-N 2 1 295.471 2.262 20 30 CEEDMP C=C(C)CC[N@@H+]1C[C@H](NC(=O)C[NH+](C)C(C)C)CC[C@@H]1C ZINC001132519071 812874201 /nfs/dbraw/zinc/87/42/01/812874201.db2.gz SEPKCGCKPLLEQH-JKSUJKDBSA-N 2 1 295.471 2.262 20 30 CEEDMP C=C(C)CC[N@H+]1C[C@H](NC(=O)C[NH+](C)C(C)C)CC[C@@H]1C ZINC001132519071 812874211 /nfs/dbraw/zinc/87/42/11/812874211.db2.gz SEPKCGCKPLLEQH-JKSUJKDBSA-N 2 1 295.471 2.262 20 30 CEEDMP C=CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001052378166 812984409 /nfs/dbraw/zinc/98/44/09/812984409.db2.gz SNHRVWOGOMWGLU-CVEARBPZSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001052378166 812984414 /nfs/dbraw/zinc/98/44/14/812984414.db2.gz SNHRVWOGOMWGLU-CVEARBPZSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001052378166 812984420 /nfs/dbraw/zinc/98/44/20/812984420.db2.gz SNHRVWOGOMWGLU-CVEARBPZSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@H+](C)CCC ZINC001099315912 813998386 /nfs/dbraw/zinc/99/83/86/813998386.db2.gz JLCUWCMGVPYIEO-HNNXBMFYSA-N 2 1 295.471 2.121 20 30 CEEDMP C=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+](C)CCC ZINC001099315912 813998391 /nfs/dbraw/zinc/99/83/91/813998391.db2.gz JLCUWCMGVPYIEO-HNNXBMFYSA-N 2 1 295.471 2.121 20 30 CEEDMP C=CC[NH2+]C1(CNC(=O)C[N@@H+]2CCC[C@@H]2C)CCCCC1 ZINC001115729387 814751471 /nfs/dbraw/zinc/75/14/71/814751471.db2.gz DHSPASOPJLRAQX-HNNXBMFYSA-N 2 1 293.455 2.065 20 30 CEEDMP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+]1CCC[C@H]1C ZINC001175255811 816163687 /nfs/dbraw/zinc/16/36/87/816163687.db2.gz HIGGFUCUWCIQDF-HZPDHXFCSA-N 2 1 295.471 2.311 20 30 CEEDMP C=CC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001178634479 816775302 /nfs/dbraw/zinc/77/53/02/816775302.db2.gz WNSVGDQPQZIVNN-INIZCTEOSA-N 2 1 295.471 2.313 20 30 CEEDMP C=C(C)C[NH2+]CCCCCCNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001179580925 816885416 /nfs/dbraw/zinc/88/54/16/816885416.db2.gz WJQBLYOHERUOKZ-MRXNPFEDSA-N 2 1 295.471 2.313 20 30 CEEDMP Cc1[nH+]ccn1CCC[NH2+]Cc1cc(C#N)cs1 ZINC000337950051 214327002 /nfs/dbraw/zinc/32/70/02/214327002.db2.gz LYOIWTJJKYIMSO-UHFFFAOYSA-N 2 1 260.366 2.305 20 30 CEEDMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000333221427 136385603 /nfs/dbraw/zinc/38/56/03/136385603.db2.gz ACARPIAGMMJVJF-KBXCAEBGSA-N 2 1 298.434 2.115 20 30 CEEDMP C=CCC[C@@H](O)C[N@H+](C)C1CC[NH+](CCC)CC1 ZINC000128544669 365794219 /nfs/dbraw/zinc/79/42/19/365794219.db2.gz QKQPZKAQZAEKIF-OAHLLOKOSA-N 2 1 254.418 2.120 20 30 CEEDMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C1CCC(C#N)CC1 ZINC000602508995 347061930 /nfs/dbraw/zinc/06/19/30/347061930.db2.gz FCTTXFYEHDDMIR-GRTSSRMGSA-N 2 1 260.385 2.500 20 30 CEEDMP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000602512997 347062963 /nfs/dbraw/zinc/06/29/63/347062963.db2.gz YUEDWBGMWVJYFN-LSDHHAIUSA-N 2 1 291.439 2.159 20 30 CEEDMP N#Cc1ccccc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252877002 344642410 /nfs/dbraw/zinc/64/24/10/344642410.db2.gz WLUUGQCIVYFAQZ-HRCADAONSA-N 2 1 255.365 2.117 20 30 CEEDMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)CC2(C#N)CCOCC2)C1 ZINC000602533038 347068554 /nfs/dbraw/zinc/06/85/54/347068554.db2.gz YMUISWNGYYBNNO-JKSUJKDBSA-N 2 1 293.455 2.407 20 30 CEEDMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H](C)CC1(C#N)CCOCC1 ZINC000602549615 347072433 /nfs/dbraw/zinc/07/24/33/347072433.db2.gz IRHZLKRMJUMDIF-GJZGRUSLSA-N 2 1 281.444 2.405 20 30 CEEDMP C=CCC[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C1CC1 ZINC000363522618 344810260 /nfs/dbraw/zinc/81/02/60/344810260.db2.gz PZHXMFYAQLZCRU-OAGGEKHMSA-N 2 1 264.413 2.184 20 30 CEEDMP C=CCC[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C1CC1 ZINC000363522618 344810261 /nfs/dbraw/zinc/81/02/61/344810261.db2.gz PZHXMFYAQLZCRU-OAGGEKHMSA-N 2 1 264.413 2.184 20 30 CEEDMP N#Cc1ccc2c(c1)[C@@H]([NH2+]CC1([NH3+])CCCC1)CC2 ZINC000596647776 346071432 /nfs/dbraw/zinc/07/14/32/346071432.db2.gz BIIFQNMTRZQBFL-HNNXBMFYSA-N 2 1 255.365 2.407 20 30 CEEDMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]C[C@@H](O)CC2(C#N)CC2)C1 ZINC000600716450 346677153 /nfs/dbraw/zinc/67/71/53/346677153.db2.gz LMJFGIZXGMRSAO-CVEARBPZSA-N 2 1 293.455 2.143 20 30 CEEDMP C[C@H]1CC[N@@H+](CC2(CC#N)CC2)C[C@@H]1n1ccnc1 ZINC000602794334 347200687 /nfs/dbraw/zinc/20/06/87/347200687.db2.gz ACQSENQYVWUSAW-KBPBESRZSA-N 2 1 258.369 2.460 20 30 CEEDMP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000602724035 347171832 /nfs/dbraw/zinc/17/18/32/347171832.db2.gz PMHLKAXHOOGKQQ-HOTGVXAUSA-N 2 1 293.455 2.407 20 30 CEEDMP C[C@H](C#N)C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000612585088 347904303 /nfs/dbraw/zinc/90/43/03/347904303.db2.gz RZCMXAYEDUAXOR-OAHLLOKOSA-N 2 1 287.407 2.410 20 30 CEEDMP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@](C)(C#N)C2)CC1 ZINC000619720332 349228690 /nfs/dbraw/zinc/22/86/90/349228690.db2.gz CGHMAUOMSJEZEH-QGZVFWFLSA-N 2 1 292.471 2.028 20 30 CEEDMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@](C)(C#N)C2)CC1 ZINC000619720332 349228693 /nfs/dbraw/zinc/22/86/93/349228693.db2.gz CGHMAUOMSJEZEH-QGZVFWFLSA-N 2 1 292.471 2.028 20 30 CEEDMP C#CC[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000306682625 539800490 /nfs/dbraw/zinc/80/04/90/539800490.db2.gz RWXBEDFMNLAQMR-SJORKVTESA-N 2 1 254.377 2.074 20 30 CEEDMP C#CC[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000306682625 539800493 /nfs/dbraw/zinc/80/04/93/539800493.db2.gz RWXBEDFMNLAQMR-SJORKVTESA-N 2 1 254.377 2.074 20 30 CEEDMP C#CC[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000306682625 539800496 /nfs/dbraw/zinc/80/04/96/539800496.db2.gz RWXBEDFMNLAQMR-SJORKVTESA-N 2 1 254.377 2.074 20 30 CEEDMP C#CC[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000306682625 539800499 /nfs/dbraw/zinc/80/04/99/539800499.db2.gz RWXBEDFMNLAQMR-SJORKVTESA-N 2 1 254.377 2.074 20 30 CEEDMP C#C[C@H](C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000123103182 187071376 /nfs/dbraw/zinc/07/13/76/187071376.db2.gz MKAVCYVAAWHUPM-HNNXBMFYSA-N 2 1 256.393 2.305 20 30 CEEDMP C[NH+](C)C[C@@H]1CC[N@@H+](CCCOc2cccc(C#N)c2)C1 ZINC000156390922 188259026 /nfs/dbraw/zinc/25/90/26/188259026.db2.gz NZHYPXCEEFLYBR-INIZCTEOSA-N 2 1 287.407 2.211 20 30 CEEDMP COc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1C#N ZINC000135123231 366397910 /nfs/dbraw/zinc/39/79/10/366397910.db2.gz YMEXGAKWGIJOGF-CJNGLKHVSA-N 2 1 287.407 2.481 20 30 CEEDMP COc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1C#N ZINC000135123231 366397912 /nfs/dbraw/zinc/39/79/12/366397912.db2.gz YMEXGAKWGIJOGF-CJNGLKHVSA-N 2 1 287.407 2.481 20 30 CEEDMP COc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1C#N ZINC000135123231 366397913 /nfs/dbraw/zinc/39/79/13/366397913.db2.gz YMEXGAKWGIJOGF-CJNGLKHVSA-N 2 1 287.407 2.481 20 30 CEEDMP COc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1C#N ZINC000135123231 366397915 /nfs/dbraw/zinc/39/79/15/366397915.db2.gz YMEXGAKWGIJOGF-CJNGLKHVSA-N 2 1 287.407 2.481 20 30 CEEDMP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccc(CC#N)cc3)C2)C1 ZINC000336124976 365444709 /nfs/dbraw/zinc/44/47/09/365444709.db2.gz QEHLULNQZPYVQQ-KRWDZBQOSA-N 2 1 269.392 2.280 20 30 CEEDMP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccc(CC#N)cc3)C2)C1 ZINC000336124976 365444713 /nfs/dbraw/zinc/44/47/13/365444713.db2.gz QEHLULNQZPYVQQ-KRWDZBQOSA-N 2 1 269.392 2.280 20 30 CEEDMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccc(CC#N)cc3)C2)C1 ZINC000336124976 365444717 /nfs/dbraw/zinc/44/47/17/365444717.db2.gz QEHLULNQZPYVQQ-KRWDZBQOSA-N 2 1 269.392 2.280 20 30 CEEDMP CC[N@H+]1CC[C@@H](N(C)Cc2ccc(C#N)cn2)C[C@H]1C ZINC000584002438 367128408 /nfs/dbraw/zinc/12/84/08/367128408.db2.gz ZYRGBOTXCFUYGE-CZUORRHYSA-N 2 1 272.396 2.258 20 30 CEEDMP C[C@H]1C[C@@H]([NH2+]CCc2cccc(C#N)c2)CC[N@H+]1C ZINC000343553161 367879887 /nfs/dbraw/zinc/87/98/87/367879887.db2.gz PJNJOZBLXAWRJC-BBRMVZONSA-N 2 1 257.381 2.173 20 30 CEEDMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(C#N)c2)[C@H](C)C1 ZINC000173364026 367902196 /nfs/dbraw/zinc/90/21/96/367902196.db2.gz CDNWDNHRAKJPEI-CZUORRHYSA-N 2 1 257.381 2.378 20 30 CEEDMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(C#N)c2)[C@H](C)C1 ZINC000173364026 367902201 /nfs/dbraw/zinc/90/22/01/367902201.db2.gz CDNWDNHRAKJPEI-CZUORRHYSA-N 2 1 257.381 2.378 20 30 CEEDMP C[NH+](C)CCOc1ccccc1C[NH2+]Cc1ccc(C#N)o1 ZINC000174323703 368011332 /nfs/dbraw/zinc/01/13/32/368011332.db2.gz MOIQBSZGRRYAII-UHFFFAOYSA-N 2 1 299.374 2.381 20 30 CEEDMP C=CCCC[N@H+](CCC)CCN1CC[NH+](CC)CC1 ZINC000344174507 368112324 /nfs/dbraw/zinc/11/23/24/368112324.db2.gz QNHAJECJPVZHRM-UHFFFAOYSA-N 2 1 267.461 2.302 20 30 CEEDMP N#Cc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)s1 ZINC000253202355 371503463 /nfs/dbraw/zinc/50/34/63/371503463.db2.gz YTZSJSGDWFHBRR-RYUDHWBXSA-N 2 1 261.394 2.336 20 30 CEEDMP N#Cc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)s1 ZINC000253202355 371503468 /nfs/dbraw/zinc/50/34/68/371503468.db2.gz YTZSJSGDWFHBRR-RYUDHWBXSA-N 2 1 261.394 2.336 20 30 CEEDMP COc1cc(C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)ccc1C#N ZINC000261646486 371690674 /nfs/dbraw/zinc/69/06/74/371690674.db2.gz OLJXFEXQFUOCTO-WFASDCNBSA-N 2 1 273.380 2.126 20 30 CEEDMP COc1cc(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)ccc1C#N ZINC000261646486 371690677 /nfs/dbraw/zinc/69/06/77/371690677.db2.gz OLJXFEXQFUOCTO-WFASDCNBSA-N 2 1 273.380 2.126 20 30 CEEDMP Cc1[nH+]ccn1CCNC(=[NH2+])N[C@H](C)CCCC(C)C ZINC000264125897 371974040 /nfs/dbraw/zinc/97/40/40/371974040.db2.gz WGMDFNJEKSZPHO-CYBMUJFWSA-N 2 1 279.432 2.311 20 30 CEEDMP CC(C)(C)NC(=[NH2+])NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000267412944 372072438 /nfs/dbraw/zinc/07/24/38/372072438.db2.gz IRPWSUBILDHKGT-HNNXBMFYSA-N 2 1 288.439 2.354 20 30 CEEDMP C=CCCOCC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000367614753 373168020 /nfs/dbraw/zinc/16/80/20/373168020.db2.gz IFHVFCXADBWIRJ-RBSFLKMASA-N 2 1 252.402 2.042 20 30 CEEDMP C=CCSCC[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000368424585 373239460 /nfs/dbraw/zinc/23/94/60/373239460.db2.gz LWULOTCKXLUOFK-HRCADAONSA-N 2 1 298.496 2.385 20 30 CEEDMP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccc(C#N)cc1F ZINC000423206068 377122759 /nfs/dbraw/zinc/12/27/59/377122759.db2.gz FRWIUQMNRQMHPW-YPMHNXCESA-N 2 1 261.344 2.348 20 30 CEEDMP C#CCOc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000264983850 190149327 /nfs/dbraw/zinc/14/93/27/190149327.db2.gz VEIJXYBSTGOTKZ-IAGOWNOFSA-N 2 1 284.403 2.415 20 30 CEEDMP C#CCOc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000264983855 190149359 /nfs/dbraw/zinc/14/93/59/190149359.db2.gz VEIJXYBSTGOTKZ-IRXDYDNUSA-N 2 1 284.403 2.415 20 30 CEEDMP Cc1cc(C[NH2+]C[C@H]2CCc3[nH+]ccn3C2)ccc1C#N ZINC000332600165 377643663 /nfs/dbraw/zinc/64/36/63/377643663.db2.gz MGJXWVWURAJGCE-OAHLLOKOSA-N 2 1 280.375 2.415 20 30 CEEDMP C=CC[NH+](C[C@@H](O)C[N@H+](C)CC)CC1CCCCC1 ZINC000566686342 377765513 /nfs/dbraw/zinc/76/55/13/377765513.db2.gz KFRVMCANUZYYNB-INIZCTEOSA-N 2 1 268.445 2.367 20 30 CEEDMP C=CC[N@@H+](C[C@@H](O)C[NH+](C)CC)CC1CCCCC1 ZINC000566686342 377765523 /nfs/dbraw/zinc/76/55/23/377765523.db2.gz KFRVMCANUZYYNB-INIZCTEOSA-N 2 1 268.445 2.367 20 30 CEEDMP C=CC[N@H+](C[C@@H](O)C[NH+](C)CC)CC1CCCCC1 ZINC000566686342 377765530 /nfs/dbraw/zinc/76/55/30/377765530.db2.gz KFRVMCANUZYYNB-INIZCTEOSA-N 2 1 268.445 2.367 20 30 CEEDMP COc1cc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)ccc1C#N ZINC000300198755 379154047 /nfs/dbraw/zinc/15/40/47/379154047.db2.gz PXOPYHDWFBSOEN-DOMZBBRYSA-N 2 1 273.380 2.139 20 30 CEEDMP COc1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)ccc1C#N ZINC000300198755 379154052 /nfs/dbraw/zinc/15/40/52/379154052.db2.gz PXOPYHDWFBSOEN-DOMZBBRYSA-N 2 1 273.380 2.139 20 30 CEEDMP C#Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC)C2)cc1 ZINC000278967613 194234077 /nfs/dbraw/zinc/23/40/77/194234077.db2.gz OFECWKHTBHVJCY-KRWDZBQOSA-N 2 1 256.393 2.442 20 30 CEEDMP C#Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CC)C2)cc1 ZINC000278967613 194234081 /nfs/dbraw/zinc/23/40/81/194234081.db2.gz OFECWKHTBHVJCY-KRWDZBQOSA-N 2 1 256.393 2.442 20 30 CEEDMP C#Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CC)C2)cc1 ZINC000278967613 194234083 /nfs/dbraw/zinc/23/40/83/194234083.db2.gz OFECWKHTBHVJCY-KRWDZBQOSA-N 2 1 256.393 2.442 20 30 CEEDMP C#Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC)C2)cc1 ZINC000278967613 194234085 /nfs/dbraw/zinc/23/40/85/194234085.db2.gz OFECWKHTBHVJCY-KRWDZBQOSA-N 2 1 256.393 2.442 20 30 CEEDMP C=CCOCC[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000338954350 394934620 /nfs/dbraw/zinc/93/46/20/394934620.db2.gz NUEDAZPPZSYJTA-IYBDPMFKSA-N 2 1 296.455 2.010 20 30 CEEDMP COc1ccc(C#N)cc1CN1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000153635426 395013438 /nfs/dbraw/zinc/01/34/38/395013438.db2.gz BZADXDPEBQABTK-RDJZCZTQSA-N 2 1 299.418 2.483 20 30 CEEDMP C#Cc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000289221495 395072341 /nfs/dbraw/zinc/07/23/41/395072341.db2.gz JJJFXMOUNLKRBH-SJORKVTESA-N 2 1 254.377 2.384 20 30 CEEDMP C#Cc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000289221495 395072343 /nfs/dbraw/zinc/07/23/43/395072343.db2.gz JJJFXMOUNLKRBH-SJORKVTESA-N 2 1 254.377 2.384 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)[C@@H]2CCCO2)CC1 ZINC000346559819 395101841 /nfs/dbraw/zinc/10/18/41/395101841.db2.gz MSISSPJYLSDHHG-HIFRSBDPSA-N 2 1 252.402 2.184 20 30 CEEDMP C=C[C@H](CO)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000289939047 395091762 /nfs/dbraw/zinc/09/17/62/395091762.db2.gz VXCRFZFEYWZEMS-IUODEOHRSA-N 2 1 271.364 2.378 20 30 CEEDMP C[C@H]1C[NH+](CC2CC[NH+](CC3(C#N)CC3)CC2)C[C@H](C)O1 ZINC000343318092 395037160 /nfs/dbraw/zinc/03/71/60/395037160.db2.gz WKTKIOFDNPMXPC-GJZGRUSLSA-N 2 1 291.439 2.111 20 30 CEEDMP C#CCC[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000377319793 395137008 /nfs/dbraw/zinc/13/70/08/395137008.db2.gz ZKXGJUZDLIEAIM-MSOLQXFVSA-N 2 1 268.404 2.464 20 30 CEEDMP C#CCC[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000377319793 395137015 /nfs/dbraw/zinc/13/70/15/395137015.db2.gz ZKXGJUZDLIEAIM-MSOLQXFVSA-N 2 1 268.404 2.464 20 30 CEEDMP C#CCC[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000377319793 395137017 /nfs/dbraw/zinc/13/70/17/395137017.db2.gz ZKXGJUZDLIEAIM-MSOLQXFVSA-N 2 1 268.404 2.464 20 30 CEEDMP C=CCCC[N@@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000652361784 401494378 /nfs/dbraw/zinc/49/43/78/401494378.db2.gz PGKRNSKIXSOFAE-RBSFLKMASA-N 2 1 252.402 2.313 20 30 CEEDMP N#Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@H]3C2)cc1 ZINC000363117382 156000794 /nfs/dbraw/zinc/00/07/94/156000794.db2.gz HEOYGTOWZMCNRE-SQNIBIBYSA-N 2 1 281.403 2.474 20 30 CEEDMP N#Cc1ccc(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@H]3C2)cc1 ZINC000363117382 156000799 /nfs/dbraw/zinc/00/07/99/156000799.db2.gz HEOYGTOWZMCNRE-SQNIBIBYSA-N 2 1 281.403 2.474 20 30 CEEDMP N#Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)cc1 ZINC000363117382 156000802 /nfs/dbraw/zinc/00/08/02/156000802.db2.gz HEOYGTOWZMCNRE-SQNIBIBYSA-N 2 1 281.403 2.474 20 30 CEEDMP N#Cc1ccc(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)cc1 ZINC000363117382 156000805 /nfs/dbraw/zinc/00/08/05/156000805.db2.gz HEOYGTOWZMCNRE-SQNIBIBYSA-N 2 1 281.403 2.474 20 30 CEEDMP C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)C[N@H+](C)C(C)C ZINC000661116740 415103665 /nfs/dbraw/zinc/10/36/65/415103665.db2.gz ZRFNGPNJVLDCKP-PMPSAXMXSA-N 2 1 268.445 2.412 20 30 CEEDMP C=CC(C)(C)C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655771993 415451416 /nfs/dbraw/zinc/45/14/16/415451416.db2.gz JCEIPFIJBPAAHF-AWEZNQCLSA-N 2 1 252.402 2.042 20 30 CEEDMP CN1CCC([NH+]2CCC(CC[N@H+](C)CCC#N)CC2)CC1 ZINC000377266686 268061989 /nfs/dbraw/zinc/06/19/89/268061989.db2.gz MCDPLRWDOMPNCO-UHFFFAOYSA-N 2 1 292.471 2.028 20 30 CEEDMP CN1CCC([NH+]2CCC(CC[N@@H+](C)CCC#N)CC2)CC1 ZINC000377266686 268061990 /nfs/dbraw/zinc/06/19/90/268061990.db2.gz MCDPLRWDOMPNCO-UHFFFAOYSA-N 2 1 292.471 2.028 20 30 CEEDMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1cccc(C#N)c1 ZINC000401776877 289288538 /nfs/dbraw/zinc/28/85/38/289288538.db2.gz TUQNKSPPPGYYLQ-GFCCVEGCSA-N 2 1 254.337 2.185 20 30 CEEDMP C#Cc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000377543217 329018437 /nfs/dbraw/zinc/01/84/37/329018437.db2.gz QCHHKZWNCBBEGP-SJORKVTESA-N 2 1 254.377 2.384 20 30 CEEDMP Cc1cc(C)cc(NC(=[NH2+])N[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000262472747 330015693 /nfs/dbraw/zinc/01/56/93/330015693.db2.gz OIJXQYMJQRBJFS-CYBMUJFWSA-N 2 1 283.379 2.242 20 30 CEEDMP CN(CC#CC[N@H+](C)Cc1cccnc1)Cc1cccnc1 ZINC000276273605 330112764 /nfs/dbraw/zinc/11/27/64/330112764.db2.gz DFOSZKQVOWTGFK-UHFFFAOYSA-N 2 1 294.402 2.044 20 30 CEEDMP CN(CC#CC[N@@H+](C)Cc1cccnc1)Cc1cccnc1 ZINC000276273605 330112766 /nfs/dbraw/zinc/11/27/66/330112766.db2.gz DFOSZKQVOWTGFK-UHFFFAOYSA-N 2 1 294.402 2.044 20 30 CEEDMP C=CC[C@@H](C)[C@H](C)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423523086 330210055 /nfs/dbraw/zinc/21/00/55/330210055.db2.gz VJTQPDBYSQCAHL-XNIRIUNOSA-N 2 1 279.472 2.393 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCCOc2ccccc21 ZINC000491542464 332233353 /nfs/dbraw/zinc/23/33/53/332233353.db2.gz AEUDOACJDOPPNT-INIZCTEOSA-N 2 1 272.392 2.445 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCCOc2ccccc21 ZINC000491542464 332233355 /nfs/dbraw/zinc/23/33/55/332233355.db2.gz AEUDOACJDOPPNT-INIZCTEOSA-N 2 1 272.392 2.445 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)CSC(C)(C)C ZINC000491654578 332266861 /nfs/dbraw/zinc/26/68/61/332266861.db2.gz GAOZHITWQRKUHB-CYBMUJFWSA-N 2 1 256.459 2.451 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)CSC(C)(C)C ZINC000491654578 332266862 /nfs/dbraw/zinc/26/68/62/332266862.db2.gz GAOZHITWQRKUHB-CYBMUJFWSA-N 2 1 256.459 2.451 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCC(=O)Nc2ccccc21 ZINC000491760664 332331547 /nfs/dbraw/zinc/33/15/47/332331547.db2.gz SAFMWSZFBBNIFW-OAHLLOKOSA-N 2 1 285.391 2.005 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCC(=O)Nc2ccccc21 ZINC000491760664 332331548 /nfs/dbraw/zinc/33/15/48/332331548.db2.gz SAFMWSZFBBNIFW-OAHLLOKOSA-N 2 1 285.391 2.005 20 30 CEEDMP C=C(C)C[N@@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000352722609 526501922 /nfs/dbraw/zinc/50/19/22/526501922.db2.gz AWAKNUVLHIMTLB-UHFFFAOYSA-N 2 1 287.451 2.312 20 30 CEEDMP C=CCc1cc(C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)cc(OC)c1O ZINC000347044452 527238356 /nfs/dbraw/zinc/23/83/56/527238356.db2.gz NDLRSWUCVASPMS-DOMZBBRYSA-N 2 1 290.407 2.298 20 30 CEEDMP C=CCc1cc(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)cc(OC)c1O ZINC000347044452 527238366 /nfs/dbraw/zinc/23/83/66/527238366.db2.gz NDLRSWUCVASPMS-DOMZBBRYSA-N 2 1 290.407 2.298 20 30 CEEDMP C[C@@H](C#N)Oc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000125489387 649924193 /nfs/dbraw/zinc/92/41/93/649924193.db2.gz CITXRKFXLKWKFH-GOEBONIOSA-N 2 1 287.407 2.361 20 30 CEEDMP C[C@@H](C#N)Oc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000125489387 649924194 /nfs/dbraw/zinc/92/41/94/649924194.db2.gz CITXRKFXLKWKFH-GOEBONIOSA-N 2 1 287.407 2.361 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1cn(C)nc1-c1ccccc1 ZINC000820847241 634549893 /nfs/dbraw/zinc/54/98/93/634549893.db2.gz WMWIYNWTOAQZDJ-UHFFFAOYSA-N 2 1 296.418 2.132 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+]Cc1cn(C)nc1-c1ccccc1 ZINC000820847241 634549896 /nfs/dbraw/zinc/54/98/96/634549896.db2.gz WMWIYNWTOAQZDJ-UHFFFAOYSA-N 2 1 296.418 2.132 20 30 CEEDMP C=CC[NH+]1CCC(N[C@@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000902347397 634585463 /nfs/dbraw/zinc/58/54/63/634585463.db2.gz UBNXJVNYJZPWMU-OAHLLOKOSA-N 2 1 265.445 2.005 20 30 CEEDMP CCCCCCCC[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000311338518 627641950 /nfs/dbraw/zinc/64/19/50/627641950.db2.gz HDRRKCUWCMMVIS-MRXNPFEDSA-N 2 1 267.461 2.326 20 30 CEEDMP C#CC[NH+](C)CCCN[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000328245482 627870942 /nfs/dbraw/zinc/87/09/42/627870942.db2.gz HZWBALYZYNWHOZ-MJGOQNOKSA-N 2 1 299.462 2.194 20 30 CEEDMP C#CC[N@@H+](C)CCCN[C@H]1C[C@@H](C)[NH+](Cc2ccccc2)C1 ZINC000328245482 627870946 /nfs/dbraw/zinc/87/09/46/627870946.db2.gz HZWBALYZYNWHOZ-MJGOQNOKSA-N 2 1 299.462 2.194 20 30 CEEDMP C#CC[N@H+](C)CCCN[C@H]1C[C@@H](C)[NH+](Cc2ccccc2)C1 ZINC000328245482 627870949 /nfs/dbraw/zinc/87/09/49/627870949.db2.gz HZWBALYZYNWHOZ-MJGOQNOKSA-N 2 1 299.462 2.194 20 30 CEEDMP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]Cc2nc(C#N)cs2)C1 ZINC000902443897 634661451 /nfs/dbraw/zinc/66/14/51/634661451.db2.gz FSMBMJQQXUFBQY-VHSXEESVSA-N 2 1 264.398 2.010 20 30 CEEDMP C#CCCC[N@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000796276723 629829002 /nfs/dbraw/zinc/82/90/02/629829002.db2.gz QCHRPDKBFOOBTA-UHFFFAOYSA-N 2 1 299.462 2.149 20 30 CEEDMP CCN1CCC([NH2+][C@@H](C)c2cc(C#N)ccn2)CC1 ZINC000902725919 634796120 /nfs/dbraw/zinc/79/61/20/634796120.db2.gz IHTLCYOYPHYMNO-LBPRGKRZSA-N 2 1 258.369 2.088 20 30 CEEDMP C[C@@H]1CCCC[N@H+]1CCCCNC(=[NH2+])NC(C)(C)C ZINC000303906554 631093697 /nfs/dbraw/zinc/09/36/97/631093697.db2.gz WFAFSBSPELZHDM-CYBMUJFWSA-N 2 1 268.449 2.344 20 30 CEEDMP C[C@H](C#N)OCC[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000801937810 631362109 /nfs/dbraw/zinc/36/21/09/631362109.db2.gz AKGKKTHSYQBTAO-ILXRZTDVSA-N 2 1 279.428 2.158 20 30 CEEDMP C=CCOc1ccc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC000904420945 635632999 /nfs/dbraw/zinc/63/29/99/635632999.db2.gz JLVORFMCMKJEDQ-JKSUJKDBSA-N 2 1 272.392 2.293 20 30 CEEDMP C[C@@H](C#N)Oc1ccc(CN2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)cc1 ZINC000897621701 631826507 /nfs/dbraw/zinc/82/65/07/631826507.db2.gz OUGUXWHPRKNRBX-QILLFSRXSA-N 2 1 299.418 2.361 20 30 CEEDMP C[C@@H](C#N)Oc1ccc(C[NH+]2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)cc1 ZINC000897621701 631826526 /nfs/dbraw/zinc/82/65/26/631826526.db2.gz OUGUXWHPRKNRBX-QILLFSRXSA-N 2 1 299.418 2.361 20 30 CEEDMP C[C@@H](C#N)Oc1ccc(C[NH+]2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)cc1 ZINC000897621701 631826530 /nfs/dbraw/zinc/82/65/30/631826530.db2.gz OUGUXWHPRKNRBX-QILLFSRXSA-N 2 1 299.418 2.361 20 30 CEEDMP C#CCOc1ccc([C@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)cc1 ZINC000817960028 633802785 /nfs/dbraw/zinc/80/27/85/633802785.db2.gz WOVQRCSOCSSVEV-XJKSGUPXSA-N 2 1 260.381 2.333 20 30 CEEDMP N#CCC[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000819199653 634101902 /nfs/dbraw/zinc/10/19/02/634101902.db2.gz DBBXJDATFKNTQV-UHFFFAOYSA-N 2 1 298.434 2.222 20 30 CEEDMP Cc1cc(C#N)cc(C)c1C[N@@H+]1CC[C@H]2CC[C@]21C[NH3+] ZINC000903861137 635312570 /nfs/dbraw/zinc/31/25/70/635312570.db2.gz VMPICGRJIZJKMA-WBVHZDCISA-N 2 1 269.392 2.488 20 30 CEEDMP Cc1cc(C#N)cc(C)c1C[N@H+]1CC[C@H]2CC[C@]21C[NH3+] ZINC000903861137 635312576 /nfs/dbraw/zinc/31/25/76/635312576.db2.gz VMPICGRJIZJKMA-WBVHZDCISA-N 2 1 269.392 2.488 20 30 CEEDMP C#CC[N@@H+](C)CCCNCc1ccsc1Cl ZINC000312617958 640067783 /nfs/dbraw/zinc/06/77/83/640067783.db2.gz GGOKUSXBDGATOA-UHFFFAOYSA-N 2 1 256.802 2.446 20 30 CEEDMP C#CCN(C)CCC[NH2+]Cc1ccsc1Cl ZINC000312617958 640067787 /nfs/dbraw/zinc/06/77/87/640067787.db2.gz GGOKUSXBDGATOA-UHFFFAOYSA-N 2 1 256.802 2.446 20 30 CEEDMP C=CC[N@@H+]1CCC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@H]1C ZINC000993542347 640655962 /nfs/dbraw/zinc/65/59/62/640655962.db2.gz ZKYYDWUZBIZMIQ-CZUORRHYSA-N 2 1 298.390 2.103 20 30 CEEDMP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)[C@@H]1C ZINC000994404732 640831719 /nfs/dbraw/zinc/83/17/19/640831719.db2.gz HCDVRPHBGFIKEI-HOTGVXAUSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)[C@@H]1C ZINC000994404732 640831726 /nfs/dbraw/zinc/83/17/26/640831726.db2.gz HCDVRPHBGFIKEI-HOTGVXAUSA-N 2 1 293.455 2.018 20 30 CEEDMP N#CCOc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000248762850 641531542 /nfs/dbraw/zinc/53/15/42/641531542.db2.gz NEZZEANEGMZOII-HOTGVXAUSA-N 2 1 285.391 2.305 20 30 CEEDMP CC[NH+]=C(NC[C@@H]1CC=CCC1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000083167547 642056287 /nfs/dbraw/zinc/05/62/87/642056287.db2.gz OOACBOIYZYPDMO-CABCVRRESA-N 2 1 290.455 2.135 20 30 CEEDMP CC[NH+]=C(NC[C@@H]1CC=CCC1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000083167547 642056291 /nfs/dbraw/zinc/05/62/91/642056291.db2.gz OOACBOIYZYPDMO-CABCVRRESA-N 2 1 290.455 2.135 20 30 CEEDMP C#CCOCC[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000851772652 643154613 /nfs/dbraw/zinc/15/46/13/643154613.db2.gz BWOYNGFQOOKSFV-SJORKVTESA-N 2 1 278.440 2.223 20 30 CEEDMP C#CCOCC[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000851772652 643154616 /nfs/dbraw/zinc/15/46/16/643154616.db2.gz BWOYNGFQOOKSFV-SJORKVTESA-N 2 1 278.440 2.223 20 30 CEEDMP C#CCOCC[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000851772652 643154620 /nfs/dbraw/zinc/15/46/20/643154620.db2.gz BWOYNGFQOOKSFV-SJORKVTESA-N 2 1 278.440 2.223 20 30 CEEDMP C#CCOCC[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000851772652 643154626 /nfs/dbraw/zinc/15/46/26/643154626.db2.gz BWOYNGFQOOKSFV-SJORKVTESA-N 2 1 278.440 2.223 20 30 CEEDMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)cc1C#N ZINC000923492652 643736825 /nfs/dbraw/zinc/73/68/25/643736825.db2.gz YLQPTMSXMYUMLJ-HIFRSBDPSA-N 2 1 257.381 2.283 20 30 CEEDMP Cc1cc(C[NH+]2CC[C@H]3[C@H](CC[N@H+]3C)C2)ccc1C#N ZINC000877740656 650884391 /nfs/dbraw/zinc/88/43/91/650884391.db2.gz KXXYARNIHZRFRQ-SJORKVTESA-N 2 1 269.392 2.393 20 30 CEEDMP Cc1cc(C[NH+]2CC[C@H]3[C@H](CC[N@@H+]3C)C2)ccc1C#N ZINC000877740656 650884395 /nfs/dbraw/zinc/88/43/95/650884395.db2.gz KXXYARNIHZRFRQ-SJORKVTESA-N 2 1 269.392 2.393 20 30 CEEDMP Cc1cc(C[N@@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)ccc1C#N ZINC000877740656 650884399 /nfs/dbraw/zinc/88/43/99/650884399.db2.gz KXXYARNIHZRFRQ-SJORKVTESA-N 2 1 269.392 2.393 20 30 CEEDMP Cc1cc(C[N@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)ccc1C#N ZINC000877740656 650884400 /nfs/dbraw/zinc/88/44/00/650884400.db2.gz KXXYARNIHZRFRQ-SJORKVTESA-N 2 1 269.392 2.393 20 30 CEEDMP C#Cc1ccc(C[NH+]2CC[C@H]3[C@H](CC[N@H+]3C)C2)cc1 ZINC000877741729 650885166 /nfs/dbraw/zinc/88/51/66/650885166.db2.gz NIDCLYWMGNLQEZ-SJORKVTESA-N 2 1 254.377 2.194 20 30 CEEDMP C#Cc1ccc(C[NH+]2CC[C@H]3[C@H](CC[N@@H+]3C)C2)cc1 ZINC000877741729 650885170 /nfs/dbraw/zinc/88/51/70/650885170.db2.gz NIDCLYWMGNLQEZ-SJORKVTESA-N 2 1 254.377 2.194 20 30 CEEDMP C#Cc1ccc(C[N@@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)cc1 ZINC000877741729 650885177 /nfs/dbraw/zinc/88/51/77/650885177.db2.gz NIDCLYWMGNLQEZ-SJORKVTESA-N 2 1 254.377 2.194 20 30 CEEDMP C#Cc1ccc(C[N@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)cc1 ZINC000877741729 650885181 /nfs/dbraw/zinc/88/51/81/650885181.db2.gz NIDCLYWMGNLQEZ-SJORKVTESA-N 2 1 254.377 2.194 20 30 CEEDMP CN(C)c1ccc(C#N)cc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000865416837 647284352 /nfs/dbraw/zinc/28/43/52/647284352.db2.gz NZKCRHYWANUBPX-DLBZAZTESA-N 2 1 298.434 2.341 20 30 CEEDMP CN(C)c1ccc(C#N)cc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000865416837 647284356 /nfs/dbraw/zinc/28/43/56/647284356.db2.gz NZKCRHYWANUBPX-DLBZAZTESA-N 2 1 298.434 2.341 20 30 CEEDMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc(OCC#N)cc3)CC[C@H]21 ZINC000879571519 651324410 /nfs/dbraw/zinc/32/44/10/651324410.db2.gz AXIRIMNSOQYWGF-NVXWUHKLSA-N 2 1 285.391 2.115 20 30 CEEDMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(OCC#N)cc3)CC[C@H]21 ZINC000879571519 651324411 /nfs/dbraw/zinc/32/44/11/651324411.db2.gz AXIRIMNSOQYWGF-NVXWUHKLSA-N 2 1 285.391 2.115 20 30 CEEDMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(OCC#N)cc3)CC[C@H]21 ZINC000879571519 651324412 /nfs/dbraw/zinc/32/44/12/651324412.db2.gz AXIRIMNSOQYWGF-NVXWUHKLSA-N 2 1 285.391 2.115 20 30 CEEDMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(OCC#N)cc3)CC[C@H]21 ZINC000879571519 651324413 /nfs/dbraw/zinc/32/44/13/651324413.db2.gz AXIRIMNSOQYWGF-NVXWUHKLSA-N 2 1 285.391 2.115 20 30 CEEDMP C[C@@H]1C[N@H+]([C@H]2CC[C@H](C#N)C2)CCN1c1cc[nH+]cc1 ZINC000880259784 651412296 /nfs/dbraw/zinc/41/22/96/651412296.db2.gz IRKAGUUIHSFWEX-YCPHGPKFSA-N 2 1 270.380 2.284 20 30 CEEDMP C#CC[C@H](CO)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000883125090 652369876 /nfs/dbraw/zinc/36/98/76/652369876.db2.gz YOWSNWXXEYSIIA-CGTJXYLNSA-N 2 1 286.419 2.013 20 30 CEEDMP C#CC[C@H](CO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000883125090 652369881 /nfs/dbraw/zinc/36/98/81/652369881.db2.gz YOWSNWXXEYSIIA-CGTJXYLNSA-N 2 1 286.419 2.013 20 30 CEEDMP C#CC[C@H](CO)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000883125091 652370264 /nfs/dbraw/zinc/37/02/64/652370264.db2.gz YOWSNWXXEYSIIA-KBAYOESNSA-N 2 1 286.419 2.013 20 30 CEEDMP C#CC[C@H](CO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000883125091 652370266 /nfs/dbraw/zinc/37/02/66/652370266.db2.gz YOWSNWXXEYSIIA-KBAYOESNSA-N 2 1 286.419 2.013 20 30 CEEDMP C=CCC[C@H]([NH2+][C@H]1CCc2[nH]cnc2C1)[C@@H]1CCCO1 ZINC000883223422 652405067 /nfs/dbraw/zinc/40/50/67/652405067.db2.gz PAFYOTFMNPAUNP-NOLJZWGESA-N 2 1 275.396 2.370 20 30 CEEDMP C=CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001271286775 805907327 /nfs/dbraw/zinc/90/73/27/805907327.db2.gz WSFUFUXZZQIYTN-JYJNAYRXSA-N 2 1 295.471 2.023 20 30 CEEDMP C=C(C)C[NH2+][C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)C(C)C ZINC001271901585 806135715 /nfs/dbraw/zinc/13/57/15/806135715.db2.gz OLQMONJZHHAIEH-OAHLLOKOSA-N 2 1 297.487 2.271 20 30 CEEDMP C[NH+](C)C1CCC([N@H+]2CCC3SC(=O)C=C3C2)CC1 ZINC001168319771 806651688 /nfs/dbraw/zinc/65/16/88/806651688.db2.gz XXUCRLBLOWUYOW-RUXDESIVSA-N 2 1 280.437 2.133 20 30 CEEDMP C=C(C)CC[NH2+]CCCNC(=O)Cn1cc[nH+]c1C(C)C ZINC001167471551 802887390 /nfs/dbraw/zinc/88/73/90/802887390.db2.gz JKJNSABYEXRTSS-UHFFFAOYSA-N 2 1 292.427 2.069 20 30 CEEDMP C=C(C)C[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001027917578 804340604 /nfs/dbraw/zinc/34/06/04/804340604.db2.gz CDGGDGDDQMAPRJ-JKSUJKDBSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1CCC ZINC001027917578 804340609 /nfs/dbraw/zinc/34/06/09/804340609.db2.gz CDGGDGDDQMAPRJ-JKSUJKDBSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1CCC ZINC001027917578 804340618 /nfs/dbraw/zinc/34/06/18/804340618.db2.gz CDGGDGDDQMAPRJ-JKSUJKDBSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)CC)C[C@@H]1C ZINC001268138771 804481747 /nfs/dbraw/zinc/48/17/47/804481747.db2.gz CSKRJRWLBCUQRP-JKSUJKDBSA-N 2 1 295.471 2.121 20 30 CEEDMP C=CC[NH2+]CCN(CC)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001268454989 804699442 /nfs/dbraw/zinc/69/94/42/804699442.db2.gz WQWOBOJMJYQKES-INIZCTEOSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)CCCC[NH+]1CCCC1 ZINC001269355699 805139193 /nfs/dbraw/zinc/13/91/93/805139193.db2.gz IPARWUWPPNKRRT-MRXNPFEDSA-N 2 1 293.455 2.019 20 30 CEEDMP C=C(C)C[N@H+]1CC[C@H]1CNC(=O)CCCC[NH+]1CCCC1 ZINC001269355698 805139324 /nfs/dbraw/zinc/13/93/24/805139324.db2.gz IPARWUWPPNKRRT-INIZCTEOSA-N 2 1 293.455 2.019 20 30 CEEDMP C=CC[NH2+]C[C@@]1(NC(=O)CC[N@H+](C)CC)CCCC[C@@H]1C ZINC001269677255 805227567 /nfs/dbraw/zinc/22/75/67/805227567.db2.gz OZFSUHWVMMZGNG-RDJZCZTQSA-N 2 1 295.471 2.169 20 30 CEEDMP C#Cc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)cc1 ZINC001237406356 808216820 /nfs/dbraw/zinc/21/68/20/808216820.db2.gz UHXRTSWRQFTDRY-SJORKVTESA-N 2 1 254.377 2.242 20 30 CEEDMP C#Cc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)cc1 ZINC001237406356 808216823 /nfs/dbraw/zinc/21/68/23/808216823.db2.gz UHXRTSWRQFTDRY-SJORKVTESA-N 2 1 254.377 2.242 20 30 CEEDMP CC(C)C[C@H]([NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1)C(=O)NO ZINC001171628959 815200471 /nfs/dbraw/zinc/20/04/71/815200471.db2.gz NDUHLJJRKDPUOC-ZDUSSCGKSA-N 2 1 299.459 2.148 20 30 CEEDMP C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001033887812 809444228 /nfs/dbraw/zinc/44/42/28/809444228.db2.gz PFXLVZPCMALUED-OAHLLOKOSA-N 2 1 298.390 2.057 20 30 CEEDMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC(=[NH2+])c1ccc(Cl)cn1)C2 ZINC001172108209 815299128 /nfs/dbraw/zinc/29/91/28/815299128.db2.gz SEJJAMPKFHZCGT-CLLJXQQHSA-N 2 1 292.814 2.456 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+]Cc1cc(C)c(O)c(C)c1 ZINC000381345045 810348518 /nfs/dbraw/zinc/34/85/18/810348518.db2.gz CXQGZSBVLDSWPX-UHFFFAOYSA-N 2 1 260.381 2.054 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1cc(C)c(O)c(C)c1 ZINC000381345045 810348526 /nfs/dbraw/zinc/34/85/26/810348526.db2.gz CXQGZSBVLDSWPX-UHFFFAOYSA-N 2 1 260.381 2.054 20 30 CEEDMP C=CC[NH+]1CCC(C)(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001045437884 811612969 /nfs/dbraw/zinc/61/29/69/811612969.db2.gz HGRULIOYIPAIEJ-OAHLLOKOSA-N 2 1 293.455 2.016 20 30 CEEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[N@H+](C)CCC)C2 ZINC001110014688 811983347 /nfs/dbraw/zinc/98/33/47/811983347.db2.gz DNFWUYLTTWYNRX-PMPSAXMXSA-N 2 1 293.455 2.016 20 30 CEEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)CCC)C2 ZINC001110014688 811983353 /nfs/dbraw/zinc/98/33/53/811983353.db2.gz DNFWUYLTTWYNRX-PMPSAXMXSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CCC[C@H](C)[NH+]1CCN(C(=O)C(C)(C)[N@H+](C)CC)CC1 ZINC001113033107 812149235 /nfs/dbraw/zinc/14/92/35/812149235.db2.gz ZQAVHNDUZDUPFK-HNNXBMFYSA-N 2 1 295.471 2.216 20 30 CEEDMP C=C(C)C[NH+]1C[C@H](NC(=O)CC[N@H+](C)CCC)CC[C@@H]1C ZINC001132435387 812850585 /nfs/dbraw/zinc/85/05/85/812850585.db2.gz CKNXRBWBINOMKO-JKSUJKDBSA-N 2 1 295.471 2.264 20 30 CEEDMP C=C(C)C[N@@H+]1C[C@H](NC(=O)CC[NH+](C)CCC)CC[C@@H]1C ZINC001132435387 812850594 /nfs/dbraw/zinc/85/05/94/812850594.db2.gz CKNXRBWBINOMKO-JKSUJKDBSA-N 2 1 295.471 2.264 20 30 CEEDMP C=C(C)C[N@H+]1C[C@H](NC(=O)CC[NH+](C)CCC)CC[C@@H]1C ZINC001132435387 812850603 /nfs/dbraw/zinc/85/06/03/812850603.db2.gz CKNXRBWBINOMKO-JKSUJKDBSA-N 2 1 295.471 2.264 20 30 CEEDMP C=CCC[NH2+]CCCNC(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC001170784016 813350615 /nfs/dbraw/zinc/35/06/15/813350615.db2.gz CGYDOAGZEPRQPD-INIZCTEOSA-N 2 1 295.471 2.313 20 30 CEEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)CC[C@H]1C ZINC001072080911 813540485 /nfs/dbraw/zinc/54/04/85/813540485.db2.gz DIUPFCVSKQRMEW-CVEARBPZSA-N 2 1 293.455 2.018 20 30 CEEDMP C[C@H](Cc1cccc(C#N)c1)[NH2+]C1CC[NH+](C)CC1 ZINC001171176985 814057887 /nfs/dbraw/zinc/05/78/87/814057887.db2.gz ZAPDPMHBNJOOAH-CYBMUJFWSA-N 2 1 257.381 2.173 20 30 CEEDMP C=CCC[C@@H](C)[NH2+]C1CC(CNC(=O)C[N@H+](C)CCC)C1 ZINC001100901645 814202643 /nfs/dbraw/zinc/20/26/43/814202643.db2.gz GNRFEWQUGAKYAY-QQFBHYJXSA-N 2 1 295.471 2.167 20 30 CEEDMP C=CCOC1CCC([NH2+]C2CC[NH+](C)CC2)CC1 ZINC001173309216 815662846 /nfs/dbraw/zinc/66/28/46/815662846.db2.gz STSKQNWODJTJGA-UHFFFAOYSA-N 2 1 252.402 2.184 20 30 CEEDMP CN1CCC[C@H]2C[N@H+](C3CCC(CC#N)CC3)C[C@@H]21 ZINC001173336638 815681217 /nfs/dbraw/zinc/68/12/17/815681217.db2.gz HGCNYAZMOSCIMB-GRAKBVBRSA-N 2 1 261.413 2.485 20 30 CEEDMP C=CCOC1CCC([NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC001173319251 815691665 /nfs/dbraw/zinc/69/16/65/815691665.db2.gz BPBTUMXYEAOEEQ-LMPOIIKSSA-N 2 1 266.429 2.430 20 30 CEEDMP C=CCOC1CCC([NH2+][C@H]2CC[N@H+](C)C[C@H]2C)CC1 ZINC001173319251 815691670 /nfs/dbraw/zinc/69/16/70/815691670.db2.gz BPBTUMXYEAOEEQ-LMPOIIKSSA-N 2 1 266.429 2.430 20 30 CEEDMP CCc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)ccc1C#N ZINC001206212588 815797650 /nfs/dbraw/zinc/79/76/50/815797650.db2.gz SAMVCQJENNUDQM-JKSUJKDBSA-N 2 1 275.371 2.382 20 30 CEEDMP CCc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)ccc1C#N ZINC001206212588 815797654 /nfs/dbraw/zinc/79/76/54/815797654.db2.gz SAMVCQJENNUDQM-JKSUJKDBSA-N 2 1 275.371 2.382 20 30 CEEDMP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+]1CCC[C@H]1C ZINC001175256773 816163134 /nfs/dbraw/zinc/16/31/34/816163134.db2.gz OJDPQCVBWDWPQC-HZPDHXFCSA-N 2 1 295.471 2.311 20 30 CEEDMP C[NH+]1CCC2(C[NH+](Cc3ccc(C#N)cc3F)C2)CC1 ZINC001140140144 816199705 /nfs/dbraw/zinc/19/97/05/816199705.db2.gz MONFMGMWOSZEPB-UHFFFAOYSA-N 2 1 273.355 2.225 20 30 CEEDMP C=CCCCCC[NH2+]CCCNC(=O)C[N@H+](C)C(C)C ZINC001176971526 816501703 /nfs/dbraw/zinc/50/17/03/816501703.db2.gz BRCSVVVIQBXSNF-UHFFFAOYSA-N 2 1 283.460 2.169 20 30 CEEDMP C=CC[C@H](C)[C@@H](C)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000128323144 365784593 /nfs/dbraw/zinc/78/45/93/365784593.db2.gz MYSRWPYMMKCHLM-JKSUJKDBSA-N 2 1 267.461 2.204 20 30 CEEDMP CNC(NCc1ccccc1C[N@H+]1CCC[C@H](C)C1)=[NH+]C ZINC000057887175 343640566 /nfs/dbraw/zinc/64/05/66/343640566.db2.gz IVEWYRKMGSJCPG-AWEZNQCLSA-N 2 1 288.439 2.213 20 30 CEEDMP CCCNC(=[NH2+])NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000083052618 344074531 /nfs/dbraw/zinc/07/45/31/344074531.db2.gz IMUZHLHNCYOTTC-CQSZACIVSA-N 2 1 276.428 2.211 20 30 CEEDMP N#Cc1cccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1 ZINC000252847249 344641773 /nfs/dbraw/zinc/64/17/73/344641773.db2.gz FXYZIXCOGHJHRE-JYJNAYRXSA-N 2 1 255.365 2.117 20 30 CEEDMP C[N@H+]1CCC[C@@H](CNCc2ccc(C#N)c(F)c2)C1 ZINC000404102547 344877503 /nfs/dbraw/zinc/87/75/03/344877503.db2.gz GCZJPXOWMLUWQQ-ZDUSSCGKSA-N 2 1 261.344 2.129 20 30 CEEDMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC000404102547 344877505 /nfs/dbraw/zinc/87/75/05/344877505.db2.gz GCZJPXOWMLUWQQ-ZDUSSCGKSA-N 2 1 261.344 2.129 20 30 CEEDMP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000591578158 345265977 /nfs/dbraw/zinc/26/59/77/345265977.db2.gz BWUXMRNMJUDLCY-HZPDHXFCSA-N 2 1 255.365 2.263 20 30 CEEDMP Cc1cc(C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)ccc1C#N ZINC000592184462 345335584 /nfs/dbraw/zinc/33/55/84/345335584.db2.gz LNVPMLOUFJZFHO-UHFFFAOYSA-N 2 1 299.418 2.163 20 30 CEEDMP Cc1cc(C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)ccc1C#N ZINC000592184462 345335587 /nfs/dbraw/zinc/33/55/87/345335587.db2.gz LNVPMLOUFJZFHO-UHFFFAOYSA-N 2 1 299.418 2.163 20 30 CEEDMP N#Cc1cnccc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592492194 345360186 /nfs/dbraw/zinc/36/01/86/345360186.db2.gz VOUXQIMSMVBRHM-GJZGRUSLSA-N 2 1 284.407 2.165 20 30 CEEDMP C[NH+](C)CCOc1ccc(C[N@@H+]2CC[C@@](C)(C#N)C2)cc1 ZINC000597230206 346156059 /nfs/dbraw/zinc/15/60/59/346156059.db2.gz QUUMKDLLNAVOMJ-KRWDZBQOSA-N 2 1 287.407 2.363 20 30 CEEDMP C[NH+](C)CCOc1ccc(C[N@H+]2CC[C@@](C)(C#N)C2)cc1 ZINC000597230206 346156061 /nfs/dbraw/zinc/15/60/61/346156061.db2.gz QUUMKDLLNAVOMJ-KRWDZBQOSA-N 2 1 287.407 2.363 20 30 CEEDMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)CC(C)(C)C#N)C1 ZINC000598724129 346408572 /nfs/dbraw/zinc/40/85/72/346408572.db2.gz IPTOIKMCKINVBZ-HZPDHXFCSA-N 2 1 295.471 2.245 20 30 CEEDMP COc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1C#N ZINC000129114700 365826779 /nfs/dbraw/zinc/82/67/79/365826779.db2.gz DNENRBQCOGDBPM-RDJZCZTQSA-N 2 1 299.418 2.483 20 30 CEEDMP COc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1C#N ZINC000129114700 365826782 /nfs/dbraw/zinc/82/67/82/365826782.db2.gz DNENRBQCOGDBPM-RDJZCZTQSA-N 2 1 299.418 2.483 20 30 CEEDMP COc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1C#N ZINC000129114700 365826786 /nfs/dbraw/zinc/82/67/86/365826786.db2.gz DNENRBQCOGDBPM-RDJZCZTQSA-N 2 1 299.418 2.483 20 30 CEEDMP COc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1C#N ZINC000129114700 365826788 /nfs/dbraw/zinc/82/67/88/365826788.db2.gz DNENRBQCOGDBPM-RDJZCZTQSA-N 2 1 299.418 2.483 20 30 CEEDMP C[C@@H]1C[N@H+](CCC[NH2+]C2CCC(C#N)CC2)CCCO1 ZINC000602635481 347116573 /nfs/dbraw/zinc/11/65/73/347116573.db2.gz ZBESOUZVNUKFDP-QQFBHYJXSA-N 2 1 279.428 2.159 20 30 CEEDMP C[C@@H]1C[N@@H+](CCC[NH2+]C2CCC(C#N)CC2)CCCO1 ZINC000602635481 347116576 /nfs/dbraw/zinc/11/65/76/347116576.db2.gz ZBESOUZVNUKFDP-QQFBHYJXSA-N 2 1 279.428 2.159 20 30 CEEDMP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000602724039 347171620 /nfs/dbraw/zinc/17/16/20/347171620.db2.gz PMHLKAXHOOGKQQ-JKSUJKDBSA-N 2 1 293.455 2.407 20 30 CEEDMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCCSCC#N)C1 ZINC000081516916 363723671 /nfs/dbraw/zinc/72/36/71/363723671.db2.gz NSRMHHPXZAVVJS-CQSZACIVSA-N 2 1 269.458 2.297 20 30 CEEDMP CCC[NH+](C)C[C@H]1CC[N@H+](CCCSCC#N)C1 ZINC000081516916 363723672 /nfs/dbraw/zinc/72/36/72/363723672.db2.gz NSRMHHPXZAVVJS-CQSZACIVSA-N 2 1 269.458 2.297 20 30 CEEDMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCCSCC#N)C1 ZINC000081516916 363723674 /nfs/dbraw/zinc/72/36/74/363723674.db2.gz NSRMHHPXZAVVJS-CQSZACIVSA-N 2 1 269.458 2.297 20 30 CEEDMP N#Cc1ccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000335672843 212392922 /nfs/dbraw/zinc/39/29/22/212392922.db2.gz XJQCATZCVREDFK-UHFFFAOYSA-N 2 1 255.365 2.134 20 30 CEEDMP C#CCOc1ccc([C@H](C)[NH2+]C2CC[NH+](C)CC2)cc1 ZINC000161454309 367088077 /nfs/dbraw/zinc/08/80/77/367088077.db2.gz DAPPDHROGDUXPB-AWEZNQCLSA-N 2 1 272.392 2.443 20 30 CEEDMP C=CCCC[N@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343715445 367969922 /nfs/dbraw/zinc/96/99/22/367969922.db2.gz ALRWAPFVHCKZKJ-OAHLLOKOSA-N 2 1 265.445 2.053 20 30 CEEDMP C=CCOc1ccc(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cc1 ZINC000346678715 368765848 /nfs/dbraw/zinc/76/58/48/368765848.db2.gz LSVHLNBSFYSPQJ-UKRRQHHQSA-N 2 1 260.381 2.421 20 30 CEEDMP C=CCOc1ccccc1C[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000346688648 368772203 /nfs/dbraw/zinc/77/22/03/368772203.db2.gz YFIIJQDQHVOXLG-KBPBESRZSA-N 2 1 260.381 2.421 20 30 CEEDMP C=CCOc1cccc(C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)c1 ZINC000346690733 368772873 /nfs/dbraw/zinc/77/28/73/368772873.db2.gz UQUBAHPXYQPMSJ-UKRRQHHQSA-N 2 1 260.381 2.421 20 30 CEEDMP C=CCOc1ccc(C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cc1OC ZINC000346652671 368752816 /nfs/dbraw/zinc/75/28/16/368752816.db2.gz HVCKWZVGTMUJOE-DZGCQCFKSA-N 2 1 290.407 2.429 20 30 CEEDMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2cc(C#N)n(C)c2)C1 ZINC000190956803 369663785 /nfs/dbraw/zinc/66/37/85/369663785.db2.gz CIGLYEGQPLLJAJ-AWEZNQCLSA-N 2 1 274.412 2.107 20 30 CEEDMP C[N@H+]1CCCC[C@@H]1CCN1CCC(F)(C#N)CC1 ZINC000352484251 369751623 /nfs/dbraw/zinc/75/16/23/369751623.db2.gz NCRRZIPROGYMQB-CYBMUJFWSA-N 2 1 253.365 2.188 20 30 CEEDMP C=CCCCCC[N@@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000193340156 369929662 /nfs/dbraw/zinc/92/96/62/369929662.db2.gz IILKZSOLJYLUCN-QGZVFWFLSA-N 2 1 279.472 2.445 20 30 CEEDMP CC[N@H+](CCC[NH+](C)C)Cc1ccc(C#N)c(OC)c1 ZINC000233472884 370519485 /nfs/dbraw/zinc/51/94/85/370519485.db2.gz JILPTHGIRZCGDV-UHFFFAOYSA-N 2 1 275.396 2.340 20 30 CEEDMP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(C#N)c(OC)c1 ZINC000233472884 370519487 /nfs/dbraw/zinc/51/94/87/370519487.db2.gz JILPTHGIRZCGDV-UHFFFAOYSA-N 2 1 275.396 2.340 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)C[C@H]2CCCC(=O)N2)CC1 ZINC000638523793 370590174 /nfs/dbraw/zinc/59/01/74/370590174.db2.gz HEPKCJJJFOAYDE-GDBMZVCRSA-N 2 1 293.455 2.064 20 30 CEEDMP C=CC[NH+]1CCC([NH2+]C[C@@H](OC)[C@H](C)CC)CC1 ZINC000638524383 370590375 /nfs/dbraw/zinc/59/03/75/370590375.db2.gz NAVAZOVHOWLKLS-UKRRQHHQSA-N 2 1 254.418 2.288 20 30 CEEDMP N#CCC[C@H](C#N)CN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246824442 371016571 /nfs/dbraw/zinc/01/65/71/371016571.db2.gz NWRFMOJZAQQRIN-HLLBOEOZSA-N 2 1 286.423 2.379 20 30 CEEDMP C=CCC[C@H](O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246912838 371029646 /nfs/dbraw/zinc/02/96/46/371029646.db2.gz RZSZVGMEQCRDBF-BHYGNILZSA-N 2 1 278.440 2.262 20 30 CEEDMP C=CCC[C@H](O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246912838 371029648 /nfs/dbraw/zinc/02/96/48/371029648.db2.gz RZSZVGMEQCRDBF-BHYGNILZSA-N 2 1 278.440 2.262 20 30 CEEDMP C=CCC[C@H](O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246912838 371029653 /nfs/dbraw/zinc/02/96/53/371029653.db2.gz RZSZVGMEQCRDBF-BHYGNILZSA-N 2 1 278.440 2.262 20 30 CEEDMP CC[C@H](C)NC(=[NH2+])NCCC[N@H+]1CCc2ccccc2C1 ZINC000264090604 371967524 /nfs/dbraw/zinc/96/75/24/371967524.db2.gz KVQYHWCLDKHGRS-AWEZNQCLSA-N 2 1 288.439 2.138 20 30 CEEDMP C[C@H]1CCC[N@@H+](CCNC(=[NH2+])Nc2ccccc2)C1 ZINC000264106769 371970929 /nfs/dbraw/zinc/97/09/29/371970929.db2.gz PTCHFRQRISBARK-ZDUSSCGKSA-N 2 1 260.385 2.145 20 30 CEEDMP CCc1cccc(NC(=[NH2+])NC[C@H]2CCC[N@H+]2C)c1 ZINC000264127183 371975739 /nfs/dbraw/zinc/97/57/39/371975739.db2.gz WUVNUACXRGSARH-CQSZACIVSA-N 2 1 260.385 2.070 20 30 CEEDMP COCC#CC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000684004638 541906781 /nfs/dbraw/zinc/90/67/81/541906781.db2.gz AGSBRIDGKVOMSL-UHFFFAOYSA-N 2 1 287.407 2.049 20 30 CEEDMP COc1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)cc1C#N ZINC000290459800 376789417 /nfs/dbraw/zinc/78/94/17/376789417.db2.gz MYQCRXADGISYKI-WBVHZDCISA-N 2 1 299.418 2.483 20 30 CEEDMP COc1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)cc1C#N ZINC000290459800 376789425 /nfs/dbraw/zinc/78/94/25/376789425.db2.gz MYQCRXADGISYKI-WBVHZDCISA-N 2 1 299.418 2.483 20 30 CEEDMP COc1ccc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc1C#N ZINC000290459800 376789434 /nfs/dbraw/zinc/78/94/34/376789434.db2.gz MYQCRXADGISYKI-WBVHZDCISA-N 2 1 299.418 2.483 20 30 CEEDMP COc1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)cc1C#N ZINC000290459800 376789442 /nfs/dbraw/zinc/78/94/42/376789442.db2.gz MYQCRXADGISYKI-WBVHZDCISA-N 2 1 299.418 2.483 20 30 CEEDMP C[C@H]1C[N@H+](CCC[NH2+]Cc2cc(C#N)cs2)CCCO1 ZINC000432362653 377753857 /nfs/dbraw/zinc/75/38/57/377753857.db2.gz NVQMHHVCODUYPT-ZDUSSCGKSA-N 2 1 293.436 2.210 20 30 CEEDMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2cc(C#N)cs2)CCCO1 ZINC000432362653 377753868 /nfs/dbraw/zinc/75/38/68/377753868.db2.gz NVQMHHVCODUYPT-ZDUSSCGKSA-N 2 1 293.436 2.210 20 30 CEEDMP C=CCCC[N@H+](Cc1nccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000435690193 377809363 /nfs/dbraw/zinc/80/93/63/377809363.db2.gz BWHYMQDRNIFICA-HNNXBMFYSA-N 2 1 288.439 2.330 20 30 CEEDMP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000436299350 377821764 /nfs/dbraw/zinc/82/17/64/377821764.db2.gz JRLXFUOKHMUWQM-JJXSEGSLSA-N 2 1 266.429 2.288 20 30 CEEDMP C=CCC[C@H](CC)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000442879887 378013290 /nfs/dbraw/zinc/01/32/90/378013290.db2.gz WQFAAFUSPJNQDK-HNNXBMFYSA-N 2 1 267.461 2.347 20 30 CEEDMP C#CCOc1ccccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000278730818 194126454 /nfs/dbraw/zinc/12/64/54/194126454.db2.gz MRTBTPXLDXGDRI-ALOPSCKCSA-N 2 1 284.403 2.413 20 30 CEEDMP C#CCOc1ccccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000278730818 194126456 /nfs/dbraw/zinc/12/64/56/194126456.db2.gz MRTBTPXLDXGDRI-ALOPSCKCSA-N 2 1 284.403 2.413 20 30 CEEDMP CC[N@H+](CCC[NH+]1CCCC1)Cc1cc(C#N)n(C)c1 ZINC000289410669 197333669 /nfs/dbraw/zinc/33/36/69/197333669.db2.gz HTJONQJHWDMLKK-UHFFFAOYSA-N 2 1 274.412 2.205 20 30 CEEDMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1cc(C#N)n(C)c1 ZINC000289410669 197333671 /nfs/dbraw/zinc/33/36/71/197333671.db2.gz HTJONQJHWDMLKK-UHFFFAOYSA-N 2 1 274.412 2.205 20 30 CEEDMP CCCNC(=[NH2+])NCc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000104178753 394718794 /nfs/dbraw/zinc/71/87/94/394718794.db2.gz NEDCBONUMLOGLF-UHFFFAOYSA-N 2 1 289.358 2.134 20 30 CEEDMP C=CCC[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000338564295 394923477 /nfs/dbraw/zinc/92/34/77/394923477.db2.gz QCHMYMSHLPMLEX-IYBDPMFKSA-N 2 1 296.455 2.153 20 30 CEEDMP C=CCC[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000338564295 394923481 /nfs/dbraw/zinc/92/34/81/394923481.db2.gz QCHMYMSHLPMLEX-IYBDPMFKSA-N 2 1 296.455 2.153 20 30 CEEDMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@@H]2CC[C@H](C#N)C2)C1 ZINC000339013009 394936534 /nfs/dbraw/zinc/93/65/34/394936534.db2.gz ZMHHBHNNMLGAFG-ARFHVFGLSA-N 2 1 279.428 2.111 20 30 CEEDMP C=C(C)CC[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000351731232 395232379 /nfs/dbraw/zinc/23/23/79/395232379.db2.gz UFYXZGUIHVQEJK-SJPCQFCGSA-N 2 1 277.456 2.195 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000491698431 395670362 /nfs/dbraw/zinc/67/03/62/395670362.db2.gz BCWBLOCGRLRTFX-KRWDZBQOSA-N 2 1 267.376 2.090 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000491698431 395670363 /nfs/dbraw/zinc/67/03/63/395670363.db2.gz BCWBLOCGRLRTFX-KRWDZBQOSA-N 2 1 267.376 2.090 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCc2nc(Cl)ccc21 ZINC000491678502 400594705 /nfs/dbraw/zinc/59/47/05/400594705.db2.gz ULXNIJIZUOCAOF-CYBMUJFWSA-N 2 1 277.799 2.267 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCc2nc(Cl)ccc21 ZINC000491678502 400594709 /nfs/dbraw/zinc/59/47/09/400594709.db2.gz ULXNIJIZUOCAOF-CYBMUJFWSA-N 2 1 277.799 2.267 20 30 CEEDMP C=CCCn1cc(CNCCC[N@@H+]2CCCC[C@@H]2C)nn1 ZINC000657293488 414836987 /nfs/dbraw/zinc/83/69/87/414836987.db2.gz OIHFTWBBMIGWEJ-HNNXBMFYSA-N 2 1 291.443 2.208 20 30 CEEDMP C=CC(C)(C)C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655771994 415452674 /nfs/dbraw/zinc/45/26/74/415452674.db2.gz JCEIPFIJBPAAHF-CQSZACIVSA-N 2 1 252.402 2.042 20 30 CEEDMP C=CC[C@@]1(C(=O)NCCC[N@@H+]2CCCC[C@@H]2C)CCC[NH2+]1 ZINC000662668535 415926512 /nfs/dbraw/zinc/92/65/12/415926512.db2.gz OJJIYZJRMXDSAA-RDJZCZTQSA-N 2 1 293.455 2.065 20 30 CEEDMP C=CC[C@H](CO)[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340356274 263118198 /nfs/dbraw/zinc/11/81/98/263118198.db2.gz YEGNHFWVLRTJGJ-BBWFWOEESA-N 2 1 274.408 2.349 20 30 CEEDMP C=CC[C@H](CO)[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340356274 263118199 /nfs/dbraw/zinc/11/81/99/263118199.db2.gz YEGNHFWVLRTJGJ-BBWFWOEESA-N 2 1 274.408 2.349 20 30 CEEDMP C=C(C)CNC(=[NH2+])NC[C@@H]1CC[N@H+](C)[C@@H]1c1cccs1 ZINC000370161400 267295611 /nfs/dbraw/zinc/29/56/11/267295611.db2.gz KFTWPDFXTVEBNL-JSGCOSHPSA-N 2 1 292.452 2.431 20 30 CEEDMP N#Cc1ccc2ncc(C[NH2+]CCC[NH+]3CCCCC3)n2c1 ZINC000172338383 297488713 /nfs/dbraw/zinc/48/87/13/297488713.db2.gz ZYOUDPXCFOYJRK-UHFFFAOYSA-N 2 1 297.406 2.172 20 30 CEEDMP [NH2+]=C(NC[C@@H]1CCCC[N@H+]1C1CC1)N1CCCCCC1 ZINC000262790731 330031591 /nfs/dbraw/zinc/03/15/91/330031591.db2.gz MZHNZDARJDFBMT-HNNXBMFYSA-N 2 1 278.444 2.194 20 30 CEEDMP C=CCCCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000423056395 330167431 /nfs/dbraw/zinc/16/74/31/330167431.db2.gz XKOASVPWIGFASJ-ZNMIVQPWSA-N 2 1 252.402 2.089 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+]C1CCC2(CCCO2)CC1 ZINC000491658222 332269376 /nfs/dbraw/zinc/26/93/76/332269376.db2.gz HHBUJEIQWPTWJP-UHFFFAOYSA-N 2 1 264.413 2.023 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+]C1CCC2(CCCO2)CC1 ZINC000491658222 332269378 /nfs/dbraw/zinc/26/93/78/332269378.db2.gz HHBUJEIQWPTWJP-UHFFFAOYSA-N 2 1 264.413 2.023 20 30 CEEDMP C#CCOc1ccccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252674618 334385097 /nfs/dbraw/zinc/38/50/97/334385097.db2.gz SRZHYDSHXIEKFZ-SJORKVTESA-N 2 1 284.403 2.415 20 30 CEEDMP C#CCOc1ccccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252674618 334385098 /nfs/dbraw/zinc/38/50/98/334385098.db2.gz SRZHYDSHXIEKFZ-SJORKVTESA-N 2 1 284.403 2.415 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](O)Cc2ccccc2)CC1 ZINC000577385736 335346387 /nfs/dbraw/zinc/34/63/87/335346387.db2.gz NLEQUUNJHDAGKP-SFHVURJKSA-N 2 1 288.435 2.220 20 30 CEEDMP C#CCOCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000753760316 575339943 /nfs/dbraw/zinc/33/99/43/575339943.db2.gz IUGXACNGJZOMPB-AEFFLSMTSA-N 2 1 286.419 2.136 20 30 CEEDMP C#CCOCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000753760316 575339945 /nfs/dbraw/zinc/33/99/45/575339945.db2.gz IUGXACNGJZOMPB-AEFFLSMTSA-N 2 1 286.419 2.136 20 30 CEEDMP C=C(C)C[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001024513080 625592082 /nfs/dbraw/zinc/59/20/82/625592082.db2.gz NCYIFNQDUFDMJZ-HZPDHXFCSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)C[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001024513080 625592091 /nfs/dbraw/zinc/59/20/91/625592091.db2.gz NCYIFNQDUFDMJZ-HZPDHXFCSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001024513080 625592096 /nfs/dbraw/zinc/59/20/96/625592096.db2.gz NCYIFNQDUFDMJZ-HZPDHXFCSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001024513080 625592108 /nfs/dbraw/zinc/59/21/08/625592108.db2.gz NCYIFNQDUFDMJZ-HZPDHXFCSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CC[C@H]1CC[N@@H+]1C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000934460336 624510354 /nfs/dbraw/zinc/51/03/54/624510354.db2.gz PBBAHHLBDBSDRY-ZWKOTPCHSA-N 2 1 286.419 2.274 20 30 CEEDMP C=CC[C@H]1CC[N@H+]1C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000934460336 624510358 /nfs/dbraw/zinc/51/03/58/624510358.db2.gz PBBAHHLBDBSDRY-ZWKOTPCHSA-N 2 1 286.419 2.274 20 30 CEEDMP C=CC[C@H]1CC[N@@H+]1C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000934460336 624510360 /nfs/dbraw/zinc/51/03/60/624510360.db2.gz PBBAHHLBDBSDRY-ZWKOTPCHSA-N 2 1 286.419 2.274 20 30 CEEDMP C=CC[C@H]1CC[NH+]1C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000934460336 624510362 /nfs/dbraw/zinc/51/03/62/624510362.db2.gz PBBAHHLBDBSDRY-ZWKOTPCHSA-N 2 1 286.419 2.274 20 30 CEEDMP C=CC[C@H]1CC[NH+]1C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000934460336 624510366 /nfs/dbraw/zinc/51/03/66/624510366.db2.gz PBBAHHLBDBSDRY-ZWKOTPCHSA-N 2 1 286.419 2.274 20 30 CEEDMP CC(C)C[N@H+]1CCC[C@@H](CNC(=[NH2+])NCC2CCC2)C1 ZINC000157397802 624976053 /nfs/dbraw/zinc/97/60/53/624976053.db2.gz SQNSQQSBDQUEDK-HNNXBMFYSA-N 2 1 280.460 2.059 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+]Cc1c[nH]nc1-c1ccccc1 ZINC000327965029 627728705 /nfs/dbraw/zinc/72/87/05/627728705.db2.gz DNBNQKJAUBWKBP-UHFFFAOYSA-N 2 1 282.391 2.121 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1c[nH]nc1-c1ccccc1 ZINC000327965029 627728710 /nfs/dbraw/zinc/72/87/10/627728710.db2.gz DNBNQKJAUBWKBP-UHFFFAOYSA-N 2 1 282.391 2.121 20 30 CEEDMP C[C@H](CC(C)(C)C#N)[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000925023111 629369728 /nfs/dbraw/zinc/36/97/28/629369728.db2.gz KWTYLDVWYYHKQE-HUUCEWRRSA-N 2 1 281.444 2.141 20 30 CEEDMP C[C@@H](CNC(=[NH2+])N1CCC[C@@H](C)C1)[N@H+]1CCCC[C@H]1C ZINC000261972327 629406823 /nfs/dbraw/zinc/40/68/23/629406823.db2.gz DRULYSZGLHZVTI-KFWWJZLASA-N 2 1 280.460 2.296 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CS[C@H](C(C)(C)C)C1 ZINC000894863313 629700979 /nfs/dbraw/zinc/70/09/79/629700979.db2.gz XQXSATCTFPDGBM-KBPBESRZSA-N 2 1 268.470 2.451 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CS[C@H](C(C)(C)C)C1 ZINC000894863313 629700983 /nfs/dbraw/zinc/70/09/83/629700983.db2.gz XQXSATCTFPDGBM-KBPBESRZSA-N 2 1 268.470 2.451 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CS[C@H](C(C)C)C1 ZINC000894862488 629702048 /nfs/dbraw/zinc/70/20/48/629702048.db2.gz BIZVDPVPYYUBBH-KGLIPLIRSA-N 2 1 254.443 2.061 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CS[C@H](C(C)C)C1 ZINC000894862488 629702056 /nfs/dbraw/zinc/70/20/56/629702056.db2.gz BIZVDPVPYYUBBH-KGLIPLIRSA-N 2 1 254.443 2.061 20 30 CEEDMP C[NH+]1CCC2(CCC[N@H+]([C@@H]3CC[C@H](C#N)C3)C2)CC1 ZINC000815107125 632960658 /nfs/dbraw/zinc/96/06/58/632960658.db2.gz KHJUTOAQENXATN-LSDHHAIUSA-N 2 1 261.413 2.486 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1Cc2[nH]c3ccccc3c2C1 ZINC000815652634 633043443 /nfs/dbraw/zinc/04/34/43/633043443.db2.gz KPIICKTUYDDDRD-CQSZACIVSA-N 2 1 281.403 2.180 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1Cc2[nH]c3ccccc3c2C1 ZINC000815652634 633043446 /nfs/dbraw/zinc/04/34/46/633043446.db2.gz KPIICKTUYDDDRD-CQSZACIVSA-N 2 1 281.403 2.180 20 30 CEEDMP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2cc(Cl)cc(C#N)c2)C1 ZINC000903447413 635132897 /nfs/dbraw/zinc/13/28/97/635132897.db2.gz RFZWBYYAKZCINB-GXFFZTMASA-N 2 1 263.772 2.381 20 30 CEEDMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(C#N)c2)C1 ZINC000903447413 635132902 /nfs/dbraw/zinc/13/29/02/635132902.db2.gz RFZWBYYAKZCINB-GXFFZTMASA-N 2 1 263.772 2.381 20 30 CEEDMP C=CCOc1cccc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)c1 ZINC000904409654 635615121 /nfs/dbraw/zinc/61/51/21/635615121.db2.gz FOXFSOJENOXMOS-CQSZACIVSA-N 2 1 260.381 2.422 20 30 CEEDMP C=CC[NH+]1CCC([NH2+]C[C@@H]2CC2(Cl)Cl)CC1 ZINC000877009207 650529902 /nfs/dbraw/zinc/52/99/02/650529902.db2.gz ISNKZNQSTBTBRY-JTQLQIEISA-N 2 1 263.212 2.420 20 30 CEEDMP c1nncn1[NH+]=C1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000842522143 640088153 /nfs/dbraw/zinc/08/81/53/640088153.db2.gz IAVLJLREJIGJGB-UHFFFAOYSA-N 2 1 281.363 2.311 20 30 CEEDMP c1nncn1[NH+]=C1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000842522143 640088160 /nfs/dbraw/zinc/08/81/60/640088160.db2.gz IAVLJLREJIGJGB-UHFFFAOYSA-N 2 1 281.363 2.311 20 30 CEEDMP C#C[C@H]1CCC[N@@H+](C/C=C\C[NH+]2CCC[C@@H](C#C)C2)C1 ZINC000847020687 641525361 /nfs/dbraw/zinc/52/53/61/641525361.db2.gz CYGFUOUZQLJYNX-SPCWZHTESA-N 2 1 270.420 2.233 20 30 CEEDMP C#C[C@H]1CCC[NH+](C/C=C\C[N@@H+]2CCC[C@@H](C#C)C2)C1 ZINC000847020687 641525367 /nfs/dbraw/zinc/52/53/67/641525367.db2.gz CYGFUOUZQLJYNX-SPCWZHTESA-N 2 1 270.420 2.233 20 30 CEEDMP C#C[C@H]1CCC[NH+](C/C=C\C[N@H+]2CCC[C@@H](C#C)C2)C1 ZINC000847020687 641525371 /nfs/dbraw/zinc/52/53/71/641525371.db2.gz CYGFUOUZQLJYNX-SPCWZHTESA-N 2 1 270.420 2.233 20 30 CEEDMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cc(C#N)cnc2Cl)C1 ZINC000877584692 650800462 /nfs/dbraw/zinc/80/04/62/650800462.db2.gz IOSXBGANPGMTTQ-GFCCVEGCSA-N 2 1 292.814 2.428 20 30 CEEDMP N#Cc1ccc(CC[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000852746687 643531889 /nfs/dbraw/zinc/53/18/89/643531889.db2.gz OOMXZOAVHYWVAH-UHFFFAOYSA-N 2 1 269.392 2.176 20 30 CEEDMP C#Cc1ccc(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)cc1 ZINC000858246197 645098007 /nfs/dbraw/zinc/09/80/07/645098007.db2.gz XLZKWVVMPQNHNH-KRWDZBQOSA-N 2 1 256.393 2.489 20 30 CEEDMP C#CC[N@H+](Cc1ccc(OCC[NH+](C)C)cc1)C1CC1 ZINC000764676203 645673851 /nfs/dbraw/zinc/67/38/51/645673851.db2.gz GQRSZHKIJMOQDE-UHFFFAOYSA-N 2 1 272.392 2.225 20 30 CEEDMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2Cc3ccc(C#N)cc3C2)[C@@H](C)C1 ZINC000866616367 647843635 /nfs/dbraw/zinc/84/36/35/647843635.db2.gz XTTUREFFQUXNPA-VHSSKADRSA-N 2 1 283.419 2.345 20 30 CEEDMP C[N@@H+](CCc1cccc(C#N)c1)CC1CC[NH2+]CC1 ZINC000866698183 647872707 /nfs/dbraw/zinc/87/27/07/647872707.db2.gz ORNNIGOBJMMSSK-UHFFFAOYSA-N 2 1 257.381 2.032 20 30 CEEDMP C[N@H+](CCc1cccc(C#N)c1)CC[C@@H]1CCC[NH2+]C1 ZINC000866698546 647873283 /nfs/dbraw/zinc/87/32/83/647873283.db2.gz XSPWCSKUZVYQSU-INIZCTEOSA-N 2 1 271.408 2.422 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000883131001 652372016 /nfs/dbraw/zinc/37/20/16/652372016.db2.gz AKOCAFZWMMDNAA-UHFFFAOYSA-N 2 1 289.379 2.256 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000883131001 652372019 /nfs/dbraw/zinc/37/20/19/652372019.db2.gz AKOCAFZWMMDNAA-UHFFFAOYSA-N 2 1 289.379 2.256 20 30 CEEDMP C=CCC[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)[C@H]1CCCO1 ZINC000883209384 652401554 /nfs/dbraw/zinc/40/15/54/652401554.db2.gz BBUUXWHJVKIQPR-JKSUJKDBSA-N 2 1 264.413 2.352 20 30 CEEDMP C=CC[C@H](C)[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000883434745 652468725 /nfs/dbraw/zinc/46/87/25/652468725.db2.gz ZUBCMHPTRKEJSO-AJNGGQMLSA-N 2 1 252.402 2.169 20 30 CEEDMP C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001038433226 805604236 /nfs/dbraw/zinc/60/42/36/805604236.db2.gz XBUDZJUGXDHZCN-CQSZACIVSA-N 2 1 298.390 2.023 20 30 CEEDMP C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001038433226 805604240 /nfs/dbraw/zinc/60/42/40/805604240.db2.gz XBUDZJUGXDHZCN-CQSZACIVSA-N 2 1 298.390 2.023 20 30 CEEDMP C=C(C)CC[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)C(C)C ZINC001271861053 806120529 /nfs/dbraw/zinc/12/05/29/806120529.db2.gz LNKPUHZAXUGBTQ-CVEARBPZSA-N 2 1 295.471 2.167 20 30 CEEDMP C=CCC[N@@H+](C)CCNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001266290699 802387647 /nfs/dbraw/zinc/38/76/47/802387647.db2.gz IVVNUQDNKLFLKG-UHFFFAOYSA-N 2 1 295.471 2.264 20 30 CEEDMP C=CCC[NH+](C)CCNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001266290699 802387656 /nfs/dbraw/zinc/38/76/56/802387656.db2.gz IVVNUQDNKLFLKG-UHFFFAOYSA-N 2 1 295.471 2.264 20 30 CEEDMP C=CCC[NH+](C)CCNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001266290699 802387662 /nfs/dbraw/zinc/38/76/62/802387662.db2.gz IVVNUQDNKLFLKG-UHFFFAOYSA-N 2 1 295.471 2.264 20 30 CEEDMP C=C(C)CC[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)C(C)C ZINC001267513680 803520067 /nfs/dbraw/zinc/52/00/67/803520067.db2.gz BNOZQLSWCRYBIA-INIZCTEOSA-N 2 1 295.471 2.121 20 30 CEEDMP C=C(C)CC[NH+](CCCNC(=O)[C@H]1CC[N@H+](C)C1)C(C)C ZINC001267513680 803520070 /nfs/dbraw/zinc/52/00/70/803520070.db2.gz BNOZQLSWCRYBIA-INIZCTEOSA-N 2 1 295.471 2.121 20 30 CEEDMP C=C(C)CC[NH+](CCCNC(=O)[C@H]1CC[N@@H+](C)C1)C(C)C ZINC001267513680 803520073 /nfs/dbraw/zinc/52/00/73/803520073.db2.gz BNOZQLSWCRYBIA-INIZCTEOSA-N 2 1 295.471 2.121 20 30 CEEDMP C=CCCC[NH+](C)CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001268258767 804583020 /nfs/dbraw/zinc/58/30/20/804583020.db2.gz FGGFHXZYCKUTTG-INIZCTEOSA-N 2 1 295.471 2.217 20 30 CEEDMP C=CCCC[N@@H+](C)CCN(C)C(=O)[C@@H]1CCCC[NH+]1CC ZINC001268258767 804583024 /nfs/dbraw/zinc/58/30/24/804583024.db2.gz FGGFHXZYCKUTTG-INIZCTEOSA-N 2 1 295.471 2.217 20 30 CEEDMP C=CCCC[N@H+](C)CCN(C)C(=O)[C@@H]1CCCC[NH+]1CC ZINC001268258767 804583028 /nfs/dbraw/zinc/58/30/28/804583028.db2.gz FGGFHXZYCKUTTG-INIZCTEOSA-N 2 1 295.471 2.217 20 30 CEEDMP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)C(C)(C)[N@H+](C)CC ZINC001171586791 815192596 /nfs/dbraw/zinc/19/25/96/815192596.db2.gz TTXKFXUVXMCCRP-OAHLLOKOSA-N 2 1 295.471 2.005 20 30 CEEDMP C=C(C)C[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCCN2C)C1 ZINC001034272588 809569379 /nfs/dbraw/zinc/56/93/79/809569379.db2.gz VWEDORXVIMRDOA-HZPDHXFCSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)C[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001034272588 809569385 /nfs/dbraw/zinc/56/93/85/809569385.db2.gz VWEDORXVIMRDOA-HZPDHXFCSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)C[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001034272588 809569387 /nfs/dbraw/zinc/56/93/87/809569387.db2.gz VWEDORXVIMRDOA-HZPDHXFCSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001034272588 809569396 /nfs/dbraw/zinc/56/93/96/809569396.db2.gz VWEDORXVIMRDOA-HZPDHXFCSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)C[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001034272588 809569402 /nfs/dbraw/zinc/56/94/02/809569402.db2.gz VWEDORXVIMRDOA-HZPDHXFCSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CC[N@@H+]1CCCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001034339056 809581567 /nfs/dbraw/zinc/58/15/67/809581567.db2.gz BBBAZDOZXAUTSH-OAHLLOKOSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001154844513 810742672 /nfs/dbraw/zinc/74/26/72/810742672.db2.gz LEAAPLBUPFWTLU-XHSDSOJGSA-N 2 1 295.471 2.119 20 30 CEEDMP C=C(C)C[NH+](CC)[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001154844513 810742674 /nfs/dbraw/zinc/74/26/74/810742674.db2.gz LEAAPLBUPFWTLU-XHSDSOJGSA-N 2 1 295.471 2.119 20 30 CEEDMP C=C(C)C[NH+](CC)[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001154844513 810742677 /nfs/dbraw/zinc/74/26/77/810742677.db2.gz LEAAPLBUPFWTLU-XHSDSOJGSA-N 2 1 295.471 2.119 20 30 CEEDMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCOc1ccccc1C#N)C2 ZINC001169107675 811400991 /nfs/dbraw/zinc/40/09/91/811400991.db2.gz JVLJPYBTOZMGIG-PHZGNYQRSA-N 2 1 285.391 2.152 20 30 CEEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)[C@@H](C)C1 ZINC001044630711 811516985 /nfs/dbraw/zinc/51/69/85/811516985.db2.gz YHFALZOKJZGSCC-GJZGRUSLSA-N 2 1 293.455 2.016 20 30 CEEDMP C[C@H]1C[N@H+](Cc2ccc(C#N)cc2O)CCC[C@H]1C[NH3+] ZINC001206025013 811710305 /nfs/dbraw/zinc/71/03/05/811710305.db2.gz LYXNYTADCGKXQZ-JSGCOSHPSA-N 2 1 273.380 2.071 20 30 CEEDMP C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2O)CCC[C@H]1C[NH3+] ZINC001206025013 811710309 /nfs/dbraw/zinc/71/03/09/811710309.db2.gz LYXNYTADCGKXQZ-JSGCOSHPSA-N 2 1 273.380 2.071 20 30 CEEDMP COc1cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)ccc1C#N ZINC001206037036 812161553 /nfs/dbraw/zinc/16/15/53/812161553.db2.gz SLJULSDRKKIRHK-ZFWWWQNUSA-N 2 1 287.407 2.374 20 30 CEEDMP C=CCC[NH+]1CCN(C(=O)[C@H](C(C)C)[NH+](CC)CC)CC1 ZINC001113441469 812241537 /nfs/dbraw/zinc/24/15/37/812241537.db2.gz BKEXKUVXLJEDEP-INIZCTEOSA-N 2 1 295.471 2.073 20 30 CEEDMP C=CCC[NH+]1C[C@H](NC(=O)C(C)(C)[N@H+](C)CC)CC[C@@H]1C ZINC001132152427 812791614 /nfs/dbraw/zinc/79/16/14/812791614.db2.gz CDIFYGCOLJQGMZ-LSDHHAIUSA-N 2 1 295.471 2.262 20 30 CEEDMP C=CCC[N@@H+]1C[C@H](NC(=O)C(C)(C)[NH+](C)CC)CC[C@@H]1C ZINC001132152427 812791619 /nfs/dbraw/zinc/79/16/19/812791619.db2.gz CDIFYGCOLJQGMZ-LSDHHAIUSA-N 2 1 295.471 2.262 20 30 CEEDMP C=CCC[N@H+]1C[C@H](NC(=O)C(C)(C)[NH+](C)CC)CC[C@@H]1C ZINC001132152427 812791629 /nfs/dbraw/zinc/79/16/29/812791629.db2.gz CDIFYGCOLJQGMZ-LSDHHAIUSA-N 2 1 295.471 2.262 20 30 CEEDMP C=CC[N@@H+]1C[C@H](NC(=O)C[NH+](C)CC(C)(C)C)CC[C@H]1C ZINC001132310914 812829102 /nfs/dbraw/zinc/82/91/02/812829102.db2.gz PZDWEGGXFZWFRY-HUUCEWRRSA-N 2 1 295.471 2.119 20 30 CEEDMP C=CC[NH+]1C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)CC[C@H]1C ZINC001132310914 812829107 /nfs/dbraw/zinc/82/91/07/812829107.db2.gz PZDWEGGXFZWFRY-HUUCEWRRSA-N 2 1 295.471 2.119 20 30 CEEDMP C=CC[NH+]1C[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)CC[C@H]1C ZINC001132310914 812829115 /nfs/dbraw/zinc/82/91/15/812829115.db2.gz PZDWEGGXFZWFRY-HUUCEWRRSA-N 2 1 295.471 2.119 20 30 CEEDMP C=C(C)CC[NH+]1C[C@H](NC(=O)CC[N@H+](C)CC)CC[C@@H]1C ZINC001132410661 812844244 /nfs/dbraw/zinc/84/42/44/812844244.db2.gz MSPIGGKATYGJLL-JKSUJKDBSA-N 2 1 295.471 2.264 20 30 CEEDMP C=C(C)CC[N@@H+]1C[C@H](NC(=O)CC[NH+](C)CC)CC[C@@H]1C ZINC001132410661 812844253 /nfs/dbraw/zinc/84/42/53/812844253.db2.gz MSPIGGKATYGJLL-JKSUJKDBSA-N 2 1 295.471 2.264 20 30 CEEDMP C=C(C)CC[N@H+]1C[C@H](NC(=O)CC[NH+](C)CC)CC[C@@H]1C ZINC001132410661 812844262 /nfs/dbraw/zinc/84/42/62/812844262.db2.gz MSPIGGKATYGJLL-JKSUJKDBSA-N 2 1 295.471 2.264 20 30 CEEDMP C=CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001052378169 812984561 /nfs/dbraw/zinc/98/45/61/812984561.db2.gz SNHRVWOGOMWGLU-JKSUJKDBSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001052378169 812984566 /nfs/dbraw/zinc/98/45/66/812984566.db2.gz SNHRVWOGOMWGLU-JKSUJKDBSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001052378169 812984570 /nfs/dbraw/zinc/98/45/70/812984570.db2.gz SNHRVWOGOMWGLU-JKSUJKDBSA-N 2 1 293.455 2.016 20 30 CEEDMP C=C(C)C[NH2+]CCCNC(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC001170783899 813352732 /nfs/dbraw/zinc/35/27/32/813352732.db2.gz ASVMOVDDSIMZSX-MRXNPFEDSA-N 2 1 295.471 2.313 20 30 CEEDMP C=C(C)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001135475974 813446728 /nfs/dbraw/zinc/44/67/28/813446728.db2.gz HMKUDDITVGMCBT-LSDHHAIUSA-N 2 1 297.487 2.413 20 30 CEEDMP C=CCC[C@H](C)[NH2+]CCCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001160274128 813754480 /nfs/dbraw/zinc/75/44/80/813754480.db2.gz PKQGTSYIVIQYCU-HOTGVXAUSA-N 2 1 295.471 2.311 20 30 CEEDMP CC(C)[N@@H+](Cc1ccc(C#N)cn1)C1CCN(C)CC1 ZINC001144169559 813980079 /nfs/dbraw/zinc/98/00/79/813980079.db2.gz LVAICCIRJNZSLI-UHFFFAOYSA-N 2 1 272.396 2.258 20 30 CEEDMP CC(C)N(Cc1ccc(C#N)cn1)C1CC[NH+](C)CC1 ZINC001144169559 813980085 /nfs/dbraw/zinc/98/00/85/813980085.db2.gz LVAICCIRJNZSLI-UHFFFAOYSA-N 2 1 272.396 2.258 20 30 CEEDMP C#Cc1ccc(C[NH+]2C[C@@H]3C[NH+](CC)C[C@H]3C2)cc1 ZINC001144581020 814114745 /nfs/dbraw/zinc/11/47/45/814114745.db2.gz KPWJMSXTYOSQJR-IRXDYDNUSA-N 2 1 254.377 2.051 20 30 CEEDMP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001171261703 814243473 /nfs/dbraw/zinc/24/34/73/814243473.db2.gz YVYQYRYYGVHJQA-OAHLLOKOSA-N 2 1 295.471 2.311 20 30 CEEDMP CN1CCC[C@H]2C[N@H+](C3CCC(CC#N)CC3)C[C@H]21 ZINC001173336637 815680330 /nfs/dbraw/zinc/68/03/30/815680330.db2.gz HGCNYAZMOSCIMB-BHDPWAOGSA-N 2 1 261.413 2.485 20 30 CEEDMP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001176590805 816438240 /nfs/dbraw/zinc/43/82/40/816438240.db2.gz CVFUNZBNPFMEIM-CQSZACIVSA-N 2 1 292.427 2.032 20 30 CEEDMP C=CCC[C@@H](C)[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)[C@H]1C ZINC001179308692 816848556 /nfs/dbraw/zinc/84/85/56/816848556.db2.gz KIZYWRQBDNWJGW-FXUDXRNXSA-N 2 1 293.455 2.014 20 30 CEEDMP C=CCC1([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CCOCC1 ZINC000668552441 539196696 /nfs/dbraw/zinc/19/66/96/539196696.db2.gz MGEHPAXJEFICQW-LSDHHAIUSA-N 2 1 264.413 2.328 20 30 CEEDMP N#Cc1cccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000228535082 344560998 /nfs/dbraw/zinc/56/09/98/344560998.db2.gz FXYZIXCOGHJHRE-ARFHVFGLSA-N 2 1 255.365 2.117 20 30 CEEDMP C#CCOc1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000292885755 344689650 /nfs/dbraw/zinc/68/96/50/344689650.db2.gz YHIUEYRUPLLILL-GOSISDBHSA-N 2 1 284.403 2.226 20 30 CEEDMP C#CCOc1ccc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)cc1 ZINC000292885755 344689652 /nfs/dbraw/zinc/68/96/52/344689652.db2.gz YHIUEYRUPLLILL-GOSISDBHSA-N 2 1 284.403 2.226 20 30 CEEDMP C#CCOc1ccc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000292885755 344689656 /nfs/dbraw/zinc/68/96/56/344689656.db2.gz YHIUEYRUPLLILL-GOSISDBHSA-N 2 1 284.403 2.226 20 30 CEEDMP C#CCOc1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000292885755 344689659 /nfs/dbraw/zinc/68/96/59/344689659.db2.gz YHIUEYRUPLLILL-GOSISDBHSA-N 2 1 284.403 2.226 20 30 CEEDMP C[NH2+]C[C@@H]1CCC[N@@H+](CCc2ccc(C#N)cc2)C1 ZINC000595894788 345908647 /nfs/dbraw/zinc/90/86/47/345908647.db2.gz XHGRKSCNJBESGJ-INIZCTEOSA-N 2 1 257.381 2.032 20 30 CEEDMP C[NH2+]C[C@H]1CCC[N@@H+](CCc2ccc(C#N)cc2)C1 ZINC000595894789 345908799 /nfs/dbraw/zinc/90/87/99/345908799.db2.gz XHGRKSCNJBESGJ-MRXNPFEDSA-N 2 1 257.381 2.032 20 30 CEEDMP CC[C@@H]1C[N@@H+](CCc2ccc(C#N)cc2)CC[C@@H]1[NH3+] ZINC000595895824 345909717 /nfs/dbraw/zinc/90/97/17/345909717.db2.gz WKVJTUZRZJDCQO-CVEARBPZSA-N 2 1 257.381 2.160 20 30 CEEDMP CN1CC(C[N@@H+](C)Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597205910 346148389 /nfs/dbraw/zinc/14/83/89/346148389.db2.gz MPPSKWYXYNHCOW-UHFFFAOYSA-N 2 1 269.392 2.235 20 30 CEEDMP N#Cc1ccccc1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000598680515 346400498 /nfs/dbraw/zinc/40/04/98/346400498.db2.gz ZHZDXJMTJFQJRD-NVXWUHKLSA-N 2 1 269.392 2.380 20 30 CEEDMP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2cnc3ccc(C#N)cn23)C1 ZINC000598995186 346443194 /nfs/dbraw/zinc/44/31/94/346443194.db2.gz VQXPNZYRBWBIML-HNNXBMFYSA-N 2 1 297.406 2.027 20 30 CEEDMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2cnc3ccc(C#N)cn23)C1 ZINC000598995186 346443196 /nfs/dbraw/zinc/44/31/96/346443196.db2.gz VQXPNZYRBWBIML-HNNXBMFYSA-N 2 1 297.406 2.027 20 30 CEEDMP Cc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc1C#N ZINC000600710651 346676023 /nfs/dbraw/zinc/67/60/23/346676023.db2.gz PWCCEBHRBBLAJS-CZUORRHYSA-N 2 1 257.381 2.283 20 30 CEEDMP N#Cc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)o1 ZINC000600767260 346686618 /nfs/dbraw/zinc/68/66/18/346686618.db2.gz AHMYMAUVCKVLEV-UONOGXRCSA-N 2 1 273.380 2.363 20 30 CEEDMP C[C@H]1C[C@@H](C[N@H+]2CCc3c(CC#N)cccc3C2)CC[NH2+]1 ZINC000600771432 346687375 /nfs/dbraw/zinc/68/73/75/346687375.db2.gz FRYDTHAEMKDENS-GJZGRUSLSA-N 2 1 283.419 2.499 20 30 CEEDMP C[NH+]1CCC2(CCC[N@@H+]2Cc2cccc(C#N)n2)CC1 ZINC000602624654 347108694 /nfs/dbraw/zinc/10/86/94/347108694.db2.gz CQZUIUYNBZHJLD-UHFFFAOYSA-N 2 1 270.380 2.013 20 30 CEEDMP C[NH+]1CCC2(CCC[N@H+]2Cc2cccc(C#N)n2)CC1 ZINC000602624654 347108699 /nfs/dbraw/zinc/10/86/99/347108699.db2.gz CQZUIUYNBZHJLD-UHFFFAOYSA-N 2 1 270.380 2.013 20 30 CEEDMP CC[N@H+]1CC[C@H](N(C)Cc2ccnc(C#N)c2)[C@H](C)C1 ZINC000610994688 347730281 /nfs/dbraw/zinc/73/02/81/347730281.db2.gz IWOZIIGPTAMQEG-CJNGLKHVSA-N 2 1 272.396 2.115 20 30 CEEDMP C=CC(C)(C)CC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000624037100 350176185 /nfs/dbraw/zinc/17/61/85/350176185.db2.gz LWMSYLAPHUBJIV-OAHLLOKOSA-N 2 1 266.429 2.432 20 30 CEEDMP CC[NH+](CC)CCC[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000123126696 187072761 /nfs/dbraw/zinc/07/27/61/187072761.db2.gz UGYWVRRWBOATAQ-UHFFFAOYSA-N 2 1 285.395 2.027 20 30 CEEDMP CC[N@H+](C)C[C@@H]1CC[NH+](CCOc2cccc(C#N)c2)C1 ZINC000072857973 363170365 /nfs/dbraw/zinc/17/03/65/363170365.db2.gz VALJLVIZIZJRBH-INIZCTEOSA-N 2 1 287.407 2.211 20 30 CEEDMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCOc2cccc(C#N)c2)C1 ZINC000072857973 363170371 /nfs/dbraw/zinc/17/03/71/363170371.db2.gz VALJLVIZIZJRBH-INIZCTEOSA-N 2 1 287.407 2.211 20 30 CEEDMP CC[NH+](C)C[C@@H]1CC[N@H+](CCOc2cccc(C#N)c2)C1 ZINC000072857973 363170379 /nfs/dbraw/zinc/17/03/79/363170379.db2.gz VALJLVIZIZJRBH-INIZCTEOSA-N 2 1 287.407 2.211 20 30 CEEDMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCOc2cccc(C#N)c2)C1 ZINC000072857973 363170384 /nfs/dbraw/zinc/17/03/84/363170384.db2.gz VALJLVIZIZJRBH-INIZCTEOSA-N 2 1 287.407 2.211 20 30 CEEDMP C[N@H+]1CC[C@@]2(CC[NH+](CCCOc3cccc(C#N)c3)C2)C1 ZINC000292111755 198166928 /nfs/dbraw/zinc/16/69/28/198166928.db2.gz JAQVRESGGALYGP-GOSISDBHSA-N 2 1 299.418 2.355 20 30 CEEDMP C[NH+]1CC[C@@]2(CC[N@H+](CCCOc3cccc(C#N)c3)C2)C1 ZINC000292111755 198166930 /nfs/dbraw/zinc/16/69/30/198166930.db2.gz JAQVRESGGALYGP-GOSISDBHSA-N 2 1 299.418 2.355 20 30 CEEDMP C[NH+]1CC[C@@]2(CC[N@@H+](CCCOc3cccc(C#N)c3)C2)C1 ZINC000292111755 198166931 /nfs/dbraw/zinc/16/69/31/198166931.db2.gz JAQVRESGGALYGP-GOSISDBHSA-N 2 1 299.418 2.355 20 30 CEEDMP C=CCC[C@@H](O)C[NH+]1CCC([N@H+]2CCC[C@@H]2C)CC1 ZINC000134683984 366351921 /nfs/dbraw/zinc/35/19/21/366351921.db2.gz AGWBOKYKWKJMOO-GOEBONIOSA-N 2 1 266.429 2.262 20 30 CEEDMP C=CCC[C@@H](O)C[NH+]1CCC([N@@H+]2CCC[C@@H]2C)CC1 ZINC000134683984 366351924 /nfs/dbraw/zinc/35/19/24/366351924.db2.gz AGWBOKYKWKJMOO-GOEBONIOSA-N 2 1 266.429 2.262 20 30 CEEDMP C=C(C)[C@@H](CO)[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000677478446 541018331 /nfs/dbraw/zinc/01/83/31/541018331.db2.gz YTHSUQJPLDIWCV-IAGOWNOFSA-N 2 1 280.456 2.367 20 30 CEEDMP C=C(C)[C@@H](CO)[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000677478446 541018332 /nfs/dbraw/zinc/01/83/32/541018332.db2.gz YTHSUQJPLDIWCV-IAGOWNOFSA-N 2 1 280.456 2.367 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCCc3c2cnn3C)CC1 ZINC000153051471 366727991 /nfs/dbraw/zinc/72/79/91/366727991.db2.gz VAXAXFNWGPCYKQ-MRXNPFEDSA-N 2 1 288.439 2.428 20 30 CEEDMP C=C(C)[C@H](CO)[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000680401189 541408592 /nfs/dbraw/zinc/40/85/92/541408592.db2.gz IHDBEYHRQBBLCP-DZKIICNBSA-N 2 1 266.429 2.166 20 30 CEEDMP C[N@@H+](CCOc1ccc(C#N)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000118842611 365183178 /nfs/dbraw/zinc/18/31/78/365183178.db2.gz XAPCWVBNUGQTMK-MRXNPFEDSA-N 2 1 287.407 2.211 20 30 CEEDMP C[NH+](CCOc1ccc(C#N)cc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000118842611 365183181 /nfs/dbraw/zinc/18/31/81/365183181.db2.gz XAPCWVBNUGQTMK-MRXNPFEDSA-N 2 1 287.407 2.211 20 30 CEEDMP C[NH+](CCOc1ccc(C#N)cc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118842611 365183184 /nfs/dbraw/zinc/18/31/84/365183184.db2.gz XAPCWVBNUGQTMK-MRXNPFEDSA-N 2 1 287.407 2.211 20 30 CEEDMP C[C@H]1C[C@H]([NH2+]CCc2cccc(C#N)c2)CC[N@H+]1C ZINC000343553206 367879069 /nfs/dbraw/zinc/87/90/69/367879069.db2.gz PJNJOZBLXAWRJC-XJKSGUPXSA-N 2 1 257.381 2.173 20 30 CEEDMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1cccc(C#N)c1 ZINC000343632772 367928472 /nfs/dbraw/zinc/92/84/72/367928472.db2.gz ZMHYDKLVDJMQPY-XJKSGUPXSA-N 2 1 257.381 2.031 20 30 CEEDMP CC[NH+]1CCN(CCCC[NH2+]CC(C)(C)CCC#N)CC1 ZINC000174267662 368004243 /nfs/dbraw/zinc/00/42/43/368004243.db2.gz KKOLHUMJESKGOW-UHFFFAOYSA-N 2 1 294.487 2.324 20 30 CEEDMP CC[N@H+]1CC[C@H]([NH2+]CCOc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000246340116 370947806 /nfs/dbraw/zinc/94/78/06/370947806.db2.gz GVJLDKAWJPGCPV-YOEHRIQHSA-N 2 1 287.407 2.257 20 30 CEEDMP C=CCOc1cccc(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000346669874 368761452 /nfs/dbraw/zinc/76/14/52/368761452.db2.gz JDXYXKXOWJYVOG-ZFWWWQNUSA-N 2 1 260.381 2.421 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(CO)cc2)CC1 ZINC000638524609 370590257 /nfs/dbraw/zinc/59/02/57/370590257.db2.gz PMKXMGLOMWSPBI-UHFFFAOYSA-N 2 1 274.408 2.309 20 30 CEEDMP C=CC[NH+]1CCC([NH2+]C[C@@H](Cc2ccccc2)OC)CC1 ZINC000638524674 370590408 /nfs/dbraw/zinc/59/04/08/370590408.db2.gz QTDVQYVVHUUOQP-GOSISDBHSA-N 2 1 288.435 2.484 20 30 CEEDMP COc1cc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)ccc1C#N ZINC000261600958 371673663 /nfs/dbraw/zinc/67/36/63/371673663.db2.gz ZKXCUFSTOAOSMD-HRCADAONSA-N 2 1 285.391 2.126 20 30 CEEDMP C=C(CC)C[NH+]1CCN(c2cc[nH+]cc2OC)CC1 ZINC000361530189 371900718 /nfs/dbraw/zinc/90/07/18/371900718.db2.gz YMHMPLUGOWQDDL-UHFFFAOYSA-N 2 1 261.369 2.178 20 30 CEEDMP CCC[N@H+]1CC[C@@H](CNC(=[NH2+])Nc2ccccc2)C1 ZINC000264110706 371971940 /nfs/dbraw/zinc/97/19/40/371971940.db2.gz QTOYDEOIMUCCPG-ZDUSSCGKSA-N 2 1 260.385 2.145 20 30 CEEDMP C=CC(C)(C)C[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000644658833 373588615 /nfs/dbraw/zinc/58/86/15/373588615.db2.gz DEFMDRIHJVOOFS-INIZCTEOSA-N 2 1 276.424 2.281 20 30 CEEDMP C=CC(C)(C)C[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000644658833 373588619 /nfs/dbraw/zinc/58/86/19/373588619.db2.gz DEFMDRIHJVOOFS-INIZCTEOSA-N 2 1 276.424 2.281 20 30 CEEDMP C=CC[C@H](CC)[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000644638944 373577608 /nfs/dbraw/zinc/57/76/08/373577608.db2.gz LNFUDHNACXQQGM-DLBZAZTESA-N 2 1 276.424 2.424 20 30 CEEDMP C=CC[C@H](CC)[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000644638944 373577615 /nfs/dbraw/zinc/57/76/15/373577615.db2.gz LNFUDHNACXQQGM-DLBZAZTESA-N 2 1 276.424 2.424 20 30 CEEDMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1cccc(C#N)c1 ZINC000371291051 373833112 /nfs/dbraw/zinc/83/31/12/373833112.db2.gz XMGMLDLODFBEFB-FGTMMUONSA-N 2 1 299.418 2.242 20 30 CEEDMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1cccc(C#N)c1 ZINC000371291051 373833120 /nfs/dbraw/zinc/83/31/20/373833120.db2.gz XMGMLDLODFBEFB-FGTMMUONSA-N 2 1 299.418 2.242 20 30 CEEDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1cccc(C#N)c1 ZINC000371291053 373833179 /nfs/dbraw/zinc/83/31/79/373833179.db2.gz XMGMLDLODFBEFB-KZNAEPCWSA-N 2 1 299.418 2.242 20 30 CEEDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1cccc(C#N)c1 ZINC000371291053 373833183 /nfs/dbraw/zinc/83/31/83/373833183.db2.gz XMGMLDLODFBEFB-KZNAEPCWSA-N 2 1 299.418 2.242 20 30 CEEDMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cccc(C#N)c1 ZINC000275018637 374128996 /nfs/dbraw/zinc/12/89/96/374128996.db2.gz LWNQFFVSFWEWJZ-CJNGLKHVSA-N 2 1 257.381 2.330 20 30 CEEDMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cccc(C#N)c1 ZINC000275018637 374129002 /nfs/dbraw/zinc/12/90/02/374129002.db2.gz LWNQFFVSFWEWJZ-CJNGLKHVSA-N 2 1 257.381 2.330 20 30 CEEDMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cccc(C#N)c1 ZINC000275018637 374129007 /nfs/dbraw/zinc/12/90/07/374129007.db2.gz LWNQFFVSFWEWJZ-CJNGLKHVSA-N 2 1 257.381 2.330 20 30 CEEDMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cccc(C#N)c1 ZINC000275018637 374129016 /nfs/dbraw/zinc/12/90/16/374129016.db2.gz LWNQFFVSFWEWJZ-CJNGLKHVSA-N 2 1 257.381 2.330 20 30 CEEDMP C[NH+](C)[C@H]1CCC[N@H+](Cc2cccc(C#N)c2)CC1 ZINC000277290609 374466749 /nfs/dbraw/zinc/46/67/49/374466749.db2.gz SUZOSGMTXSNEFG-INIZCTEOSA-N 2 1 257.381 2.474 20 30 CEEDMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2cccc(C#N)c2)CC1 ZINC000277290609 374466752 /nfs/dbraw/zinc/46/67/52/374466752.db2.gz SUZOSGMTXSNEFG-INIZCTEOSA-N 2 1 257.381 2.474 20 30 CEEDMP C[NH+](C)[C@@H]1CCC[N@H+](CCOc2ccccc2C#N)CC1 ZINC000277387839 374500996 /nfs/dbraw/zinc/50/09/96/374500996.db2.gz YRJZZSMDROBIOP-MRXNPFEDSA-N 2 1 287.407 2.353 20 30 CEEDMP C[NH+](C)[C@@H]1CCC[N@@H+](CCOc2ccccc2C#N)CC1 ZINC000277387839 374500997 /nfs/dbraw/zinc/50/09/97/374500997.db2.gz YRJZZSMDROBIOP-MRXNPFEDSA-N 2 1 287.407 2.353 20 30 CEEDMP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000436291280 377822374 /nfs/dbraw/zinc/82/23/74/377822374.db2.gz PUJLMLBPLIRNTE-WCVJEAGWSA-N 2 1 264.413 2.184 20 30 CEEDMP C=CCC[C@@H](CC)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000442879888 378012462 /nfs/dbraw/zinc/01/24/62/378012462.db2.gz WQFAAFUSPJNQDK-OAHLLOKOSA-N 2 1 267.461 2.347 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CSC[C@@H]2C)CC1 ZINC000449126116 378197673 /nfs/dbraw/zinc/19/76/73/378197673.db2.gz UNFGGOKBNNECPW-GXTWGEPZSA-N 2 1 254.443 2.368 20 30 CEEDMP N#CCCN1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000370678058 260002370 /nfs/dbraw/zinc/00/23/70/260002370.db2.gz SQPKVSIROKBUMQ-DLBZAZTESA-N 2 1 269.392 2.354 20 30 CEEDMP CNC(=[NH2+])NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000270612174 394737016 /nfs/dbraw/zinc/73/70/16/394737016.db2.gz YKANMXOJYJHNHV-ZWNOBZJWSA-N 2 1 298.793 2.006 20 30 CEEDMP C[C@@H]([NH2+]CCOCCC#N)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000339086194 394941728 /nfs/dbraw/zinc/94/17/28/394941728.db2.gz ZPOKLZJOTUIPIC-CABCVRRESA-N 2 1 279.428 2.159 20 30 CEEDMP C[C@@H]([NH2+]CCC[NH2+]C1CC1)c1ccc(C#N)c(F)c1 ZINC000423559807 394951490 /nfs/dbraw/zinc/95/14/90/394951490.db2.gz PEYWNMDQYLJIST-LLVKDONJSA-N 2 1 261.344 2.490 20 30 CEEDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CCC(C)(C)C#N)C1 ZINC000345731245 395074212 /nfs/dbraw/zinc/07/42/12/395074212.db2.gz SIPMJNIYMRWACD-OAHLLOKOSA-N 2 1 281.444 2.359 20 30 CEEDMP C=C[C@H](CO)[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000289895322 395089878 /nfs/dbraw/zinc/08/98/78/395089878.db2.gz SUXIASWCZQZOFT-XWTMOSNGSA-N 2 1 286.419 2.034 20 30 CEEDMP C=CCOc1ccc(C[N@@H+]2CC[C@H](C[NH3+])C2)cc1OC ZINC000347017988 395117283 /nfs/dbraw/zinc/11/72/83/395117283.db2.gz LCCNOSTYSWGCDM-CQSZACIVSA-N 2 1 276.380 2.041 20 30 CEEDMP C=CCOc1ccc(C[N@H+]2CC[C@H](C[NH3+])C2)cc1OC ZINC000347017988 395117289 /nfs/dbraw/zinc/11/72/89/395117289.db2.gz LCCNOSTYSWGCDM-CQSZACIVSA-N 2 1 276.380 2.041 20 30 CEEDMP C#Cc1ccc(CN2CC[C@H]3CC[N@H+](C)C[C@@H]32)cc1 ZINC000290487861 395105859 /nfs/dbraw/zinc/10/58/59/395105859.db2.gz VTPQMEYPNFPTND-SJORKVTESA-N 2 1 254.377 2.194 20 30 CEEDMP C#Cc1ccc(C[N@H+]2CC[C@H]3CCN(C)C[C@@H]32)cc1 ZINC000290487861 395105864 /nfs/dbraw/zinc/10/58/64/395105864.db2.gz VTPQMEYPNFPTND-SJORKVTESA-N 2 1 254.377 2.194 20 30 CEEDMP C#Cc1ccc(C[N@@H+]2CC[C@H]3CCN(C)C[C@@H]32)cc1 ZINC000290487861 395105869 /nfs/dbraw/zinc/10/58/69/395105869.db2.gz VTPQMEYPNFPTND-SJORKVTESA-N 2 1 254.377 2.194 20 30 CEEDMP C=CCOc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000346840162 395109618 /nfs/dbraw/zinc/10/96/18/395109618.db2.gz ZSWXORRRHAXNKF-USXIJHARSA-N 2 1 272.392 2.421 20 30 CEEDMP C=C(C)C[NH+](CC)CC(O)C[N@@H+](CC)CC(=C)C ZINC000194401957 395434700 /nfs/dbraw/zinc/43/47/00/395434700.db2.gz NVVOHTTXMZLNML-UHFFFAOYSA-N 2 1 254.418 2.143 20 30 CEEDMP C=C(C)C[NH+](CC)CC(O)C[N@H+](CC)CC(=C)C ZINC000194401957 395434705 /nfs/dbraw/zinc/43/47/05/395434705.db2.gz NVVOHTTXMZLNML-UHFFFAOYSA-N 2 1 254.418 2.143 20 30 CEEDMP Cc1cc(N2CCC([NH2+][C@H]3CC[C@H](C#N)C3)CC2)nc(C)[nH+]1 ZINC000333075963 228189507 /nfs/dbraw/zinc/18/95/07/228189507.db2.gz LCLFNQLFWWRQJK-HOCLYGCPSA-N 2 1 299.422 2.344 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2C[C@@H](C)O[C@H]2C)CC1 ZINC000449119623 260230236 /nfs/dbraw/zinc/23/02/36/260230236.db2.gz AIWKIRGLMGQBMF-VNHYZAJKSA-N 2 1 252.402 2.182 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+]C2CCC(NC(C)=O)CC2)CC1 ZINC000161027141 262307056 /nfs/dbraw/zinc/30/70/56/262307056.db2.gz BSYNJSUWYCBQQO-UHFFFAOYSA-N 2 1 293.455 2.064 20 30 CEEDMP C=CCc1cc(C[NH2+]CC2([NH3+])CCC2)cc(OC)c1O ZINC000414876697 263091702 /nfs/dbraw/zinc/09/17/02/263091702.db2.gz DTWWKMYHRJMIAK-UHFFFAOYSA-N 2 1 276.380 2.100 20 30 CEEDMP C=CCOc1ccc(C[NH2+]C[C@H]([NH3+])C2CC2)cc1OC ZINC000414884723 263098827 /nfs/dbraw/zinc/09/88/27/263098827.db2.gz BDLFPQNBFCRYDJ-AWEZNQCLSA-N 2 1 276.380 2.087 20 30 CEEDMP C=CCOc1ccccc1C[NH2+][C@H]1CC[NH2+]C[C@@H]1C ZINC000414952687 263158070 /nfs/dbraw/zinc/15/80/70/263158070.db2.gz IPHJMCGATAIILY-ZFWWWQNUSA-N 2 1 260.381 2.339 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)C(C)(C)OC)CC1 ZINC000340473313 263164760 /nfs/dbraw/zinc/16/47/60/263164760.db2.gz GYSWKOWUYUHEOY-ZDUSSCGKSA-N 2 1 254.418 2.430 20 30 CEEDMP CN(C)c1cc[nH+]cc1C[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000294927163 263169333 /nfs/dbraw/zinc/16/93/33/263169333.db2.gz BHSUSMGHIMBYLL-JSGCOSHPSA-N 2 1 258.369 2.320 20 30 CEEDMP Cc1[nH+]ccn1CC[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000299506226 263244354 /nfs/dbraw/zinc/24/43/54/263244354.db2.gz XSNDNDQLXYNZGA-UHFFFAOYSA-N 2 1 297.406 2.331 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCCOCC2)CC1 ZINC000356685631 266159678 /nfs/dbraw/zinc/15/96/78/266159678.db2.gz WVYALBHFGHHXLO-CQSZACIVSA-N 2 1 252.402 2.186 20 30 CEEDMP CN(C)C(=[NH+]C[C@@H]1CC[N@@H+](C)[C@@H]1c1cccs1)N(C)C ZINC000370163357 267295747 /nfs/dbraw/zinc/29/57/47/267295747.db2.gz SJLALFCEHXSQEL-JSGCOSHPSA-N 2 1 294.468 2.220 20 30 CEEDMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc(C#N)cc1 ZINC000271863432 278256261 /nfs/dbraw/zinc/25/62/61/278256261.db2.gz KVOFPOUGKQWGAN-ZDUSSCGKSA-N 2 1 255.365 2.471 20 30 CEEDMP CC[N@H+](C)C[C@@H](O)C[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000583448744 327372490 /nfs/dbraw/zinc/37/24/90/327372490.db2.gz NHWFYQNSEIQDOA-DLBZAZTESA-N 2 1 289.423 2.324 20 30 CEEDMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000583448744 327372491 /nfs/dbraw/zinc/37/24/91/327372491.db2.gz NHWFYQNSEIQDOA-DLBZAZTESA-N 2 1 289.423 2.324 20 30 CEEDMP C=CCC[C@@H](O)C[N@H+](C1CC1)C1CC[NH+](CC)CC1 ZINC000378444152 329050482 /nfs/dbraw/zinc/05/04/82/329050482.db2.gz WCSCDXGUTNZCON-MRXNPFEDSA-N 2 1 266.429 2.262 20 30 CEEDMP C=CCC[C@@H](O)C[N@@H+](C1CC1)C1CC[NH+](CC)CC1 ZINC000378444152 329050484 /nfs/dbraw/zinc/05/04/84/329050484.db2.gz WCSCDXGUTNZCON-MRXNPFEDSA-N 2 1 266.429 2.262 20 30 CEEDMP N#CC1CCC(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)CC1 ZINC000423110352 330170939 /nfs/dbraw/zinc/17/09/39/330170939.db2.gz VSFILPOAIWSHPP-YWWDTZIBSA-N 2 1 291.439 2.063 20 30 CEEDMP C=C[C@@H]1CCCC[N@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000489514284 332057810 /nfs/dbraw/zinc/05/78/10/332057810.db2.gz QNKPXQQSOHDSSA-MRXNPFEDSA-N 2 1 293.455 2.016 20 30 CEEDMP C=C[C@@H]1CCCC[N@@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000489514284 332057812 /nfs/dbraw/zinc/05/78/12/332057812.db2.gz QNKPXQQSOHDSSA-MRXNPFEDSA-N 2 1 293.455 2.016 20 30 CEEDMP C#CC[N@H+](C)CCCN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000491635921 332256901 /nfs/dbraw/zinc/25/69/01/332256901.db2.gz WWMKAFMBOGAAPA-OAHLLOKOSA-N 2 1 287.363 2.127 20 30 CEEDMP C#CC[N@@H+](C)CCCN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000491635921 332256903 /nfs/dbraw/zinc/25/69/03/332256903.db2.gz WWMKAFMBOGAAPA-OAHLLOKOSA-N 2 1 287.363 2.127 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000491635921 332256904 /nfs/dbraw/zinc/25/69/04/332256904.db2.gz WWMKAFMBOGAAPA-OAHLLOKOSA-N 2 1 287.363 2.127 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000491635921 332256905 /nfs/dbraw/zinc/25/69/05/332256905.db2.gz WWMKAFMBOGAAPA-OAHLLOKOSA-N 2 1 287.363 2.127 20 30 CEEDMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCCC#N)[C@@H](C)C1 ZINC000248444742 334302111 /nfs/dbraw/zinc/30/21/11/334302111.db2.gz BRWHBDZXVGPELV-GJZGRUSLSA-N 2 1 267.417 2.017 20 30 CEEDMP C=CCNC(=O)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183142309 518894746 /nfs/dbraw/zinc/89/47/46/518894746.db2.gz KZGKWKBHQMDPRR-CYBMUJFWSA-N 2 1 298.390 2.134 20 30 CEEDMP c1nncn1[NH+]=C1CCCC[C@H]1[NH+]1CCCCCC1 ZINC000749808764 575234765 /nfs/dbraw/zinc/23/47/65/575234765.db2.gz YRNCLYMPSSSIPJ-CQSZACIVSA-N 2 1 261.373 2.301 20 30 CEEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC000968915234 613348299 /nfs/dbraw/zinc/34/82/99/613348299.db2.gz DZADFZJNJLBIGZ-HZPDHXFCSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001024468609 625569377 /nfs/dbraw/zinc/56/93/77/625569377.db2.gz LMNJCHSHHYUWND-JKSUJKDBSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1CCC ZINC001024468609 625569381 /nfs/dbraw/zinc/56/93/81/625569381.db2.gz LMNJCHSHHYUWND-JKSUJKDBSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1CCC ZINC001024468609 625569384 /nfs/dbraw/zinc/56/93/84/625569384.db2.gz LMNJCHSHHYUWND-JKSUJKDBSA-N 2 1 293.455 2.018 20 30 CEEDMP C[N@@H+](CCNC(=[NH2+])N1CCCCCC1)C1CCCCC1 ZINC000305066956 622704399 /nfs/dbraw/zinc/70/43/99/622704399.db2.gz NFKCEHXQSYNLDO-UHFFFAOYSA-N 2 1 280.460 2.442 20 30 CEEDMP CCC[N@H+]1CC[C@H](CNC(=[NH2+])Nc2cccc(OC)c2)C1 ZINC000104179625 624320155 /nfs/dbraw/zinc/32/01/55/624320155.db2.gz SJTOCVICLVNBEM-CYBMUJFWSA-N 2 1 290.411 2.154 20 30 CEEDMP C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001024812000 625832348 /nfs/dbraw/zinc/83/23/48/625832348.db2.gz ISFNDTQYTMZVBT-HZPDHXFCSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CC[NH+]1CCC([NH2+]C[C@@H]2C[C@]2(C)Br)CC1 ZINC000892881470 627828772 /nfs/dbraw/zinc/82/87/72/627828772.db2.gz WYIJAZWKZFTCRN-AAEUAGOBSA-N 2 1 287.245 2.400 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000328192947 627867177 /nfs/dbraw/zinc/86/71/77/627867177.db2.gz QOVAYIPRVXJCLS-UHFFFAOYSA-N 2 1 255.365 2.213 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000328192947 627867182 /nfs/dbraw/zinc/86/71/82/627867182.db2.gz QOVAYIPRVXJCLS-UHFFFAOYSA-N 2 1 255.365 2.213 20 30 CEEDMP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]CC1([NH3+])CC1 ZINC000902405511 634641839 /nfs/dbraw/zinc/64/18/39/634641839.db2.gz ILQOCQJDDOZDCY-HNNXBMFYSA-N 2 1 255.365 2.407 20 30 CEEDMP CC[NH+]=C(NCC1CCCC1)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261766147 629187480 /nfs/dbraw/zinc/18/74/80/629187480.db2.gz NNWXYWPTXQFSGM-CZUORRHYSA-N 2 1 292.471 2.214 20 30 CEEDMP C=CC[NH+]1CCC(N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000924984903 629321758 /nfs/dbraw/zinc/32/17/58/629321758.db2.gz YMUGVQFJAUZKNO-SJORKVTESA-N 2 1 277.456 2.243 20 30 CEEDMP C=CC[NH+]1CCC(N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000924984903 629321761 /nfs/dbraw/zinc/32/17/61/629321761.db2.gz YMUGVQFJAUZKNO-SJORKVTESA-N 2 1 277.456 2.243 20 30 CEEDMP C=CC[NH+]1CCC(N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000924984899 629321790 /nfs/dbraw/zinc/32/17/90/629321790.db2.gz YMUGVQFJAUZKNO-IAGOWNOFSA-N 2 1 277.456 2.243 20 30 CEEDMP C=CC[NH+]1CCC(N[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000924984899 629321795 /nfs/dbraw/zinc/32/17/95/629321795.db2.gz YMUGVQFJAUZKNO-IAGOWNOFSA-N 2 1 277.456 2.243 20 30 CEEDMP C[NH+]=C(NCC1(C)CCCC1)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261992306 629414049 /nfs/dbraw/zinc/41/40/49/629414049.db2.gz RPCNEOVACZFOIH-UKRRQHHQSA-N 2 1 292.471 2.214 20 30 CEEDMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CC[C@@H](C#N)C2)cn1 ZINC000799714928 631067307 /nfs/dbraw/zinc/06/73/07/631067307.db2.gz JAPDBLUPSYYNGA-UKRRQHHQSA-N 2 1 281.363 2.358 20 30 CEEDMP CC(C)[N@H+]1CCC[C@H](CNC(=[NH2+])N2CCCCCC2)C1 ZINC000305039735 631105781 /nfs/dbraw/zinc/10/57/81/631105781.db2.gz CJENAZNFXDQKCG-OAHLLOKOSA-N 2 1 280.460 2.298 20 30 CEEDMP C[C@H]1CCCC[N@H+]1CCNC(=[NH2+])N1CCCCCC1 ZINC000305089646 631108387 /nfs/dbraw/zinc/10/83/87/631108387.db2.gz WCNZFSNLKKKGBT-AWEZNQCLSA-N 2 1 266.433 2.052 20 30 CEEDMP C[N@H+]1CCC[C@]2(CCN(C[C@H](O)c3ccc(C#N)cc3)C2)C1 ZINC000815146810 632972342 /nfs/dbraw/zinc/97/23/42/632972342.db2.gz UBORSJGSZLCZML-ROUUACIJSA-N 2 1 299.418 2.009 20 30 CEEDMP C[NH+]1CCC[C@]2(CC[N@H+](C[C@H](O)c3ccc(C#N)cc3)C2)C1 ZINC000815146810 632972350 /nfs/dbraw/zinc/97/23/50/632972350.db2.gz UBORSJGSZLCZML-ROUUACIJSA-N 2 1 299.418 2.009 20 30 CEEDMP C[NH+]1CCC[C@]2(CC[N@@H+](C[C@H](O)c3ccc(C#N)cc3)C2)C1 ZINC000815146810 632972351 /nfs/dbraw/zinc/97/23/51/632972351.db2.gz UBORSJGSZLCZML-ROUUACIJSA-N 2 1 299.418 2.009 20 30 CEEDMP C=C(CC[NH+](C)C)C(=O)NC[C@H]1CCCC[N@@H+]1CCCC ZINC000900469155 633733681 /nfs/dbraw/zinc/73/36/81/633733681.db2.gz ZTJHJKKJMBULTG-MRXNPFEDSA-N 2 1 295.471 2.265 20 30 CEEDMP CC[C@H](NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cccc(C#N)c1 ZINC000902793314 634835405 /nfs/dbraw/zinc/83/54/05/634835405.db2.gz HEIMBFNOJLQJFQ-SQNIBIBYSA-N 2 1 299.418 2.462 20 30 CEEDMP CC[C@H](NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1cccc(C#N)c1 ZINC000902793314 634835408 /nfs/dbraw/zinc/83/54/08/634835408.db2.gz HEIMBFNOJLQJFQ-SQNIBIBYSA-N 2 1 299.418 2.462 20 30 CEEDMP C=CCC[C@@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903185300 635002081 /nfs/dbraw/zinc/00/20/81/635002081.db2.gz CXESRAJWZAYBLG-WYQXTGKHSA-N 2 1 264.413 2.061 20 30 CEEDMP N#CCC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CC1 ZINC000903168154 635002967 /nfs/dbraw/zinc/00/29/67/635002967.db2.gz SQGKVNMNCSWQMW-LQDVMPOASA-N 2 1 259.397 2.428 20 30 CEEDMP Cc1cc(C#N)cc(C)c1C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000903447304 635133026 /nfs/dbraw/zinc/13/30/26/635133026.db2.gz NUIGOJLCSTXBMJ-HIFRSBDPSA-N 2 1 257.381 2.344 20 30 CEEDMP C=C(CC[NH+](C)C)C(=O)NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC000912989681 639177790 /nfs/dbraw/zinc/17/77/90/639177790.db2.gz VDCWFNMKSSRBRB-MRXNPFEDSA-N 2 1 293.455 2.018 20 30 CEEDMP C[C@H](C[NH2+]CC#Cc1ccccc1)C[NH+]1CCCC1 ZINC000062071296 639735874 /nfs/dbraw/zinc/73/58/74/639735874.db2.gz UKHHXVNLIPHKBB-MRXNPFEDSA-N 2 1 256.393 2.360 20 30 CEEDMP C=CC[NH2+]C1CCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000996674939 642126454 /nfs/dbraw/zinc/12/64/54/642126454.db2.gz DNFQWRLJBDVHCW-MRXNPFEDSA-N 2 1 293.455 2.016 20 30 CEEDMP CC(C)[N@@H+](C)CCC[NH+]=C(NCc1ccccc1)N(C)C ZINC000848987754 642209963 /nfs/dbraw/zinc/20/99/63/642209963.db2.gz YHXLSWSZXYXHPC-UHFFFAOYSA-N 2 1 290.455 2.424 20 30 CEEDMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2csc(C#N)c2)C1 ZINC000921581720 642250947 /nfs/dbraw/zinc/25/09/47/642250947.db2.gz NFTZOBGKJHDQRU-GFCCVEGCSA-N 2 1 263.410 2.441 20 30 CEEDMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2csc(C#N)c2)C1 ZINC000921581720 642250949 /nfs/dbraw/zinc/25/09/49/642250949.db2.gz NFTZOBGKJHDQRU-GFCCVEGCSA-N 2 1 263.410 2.441 20 30 CEEDMP C#CCOCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000851793309 643164574 /nfs/dbraw/zinc/16/45/74/643164574.db2.gz UPQHFVASZBWXLQ-SFHVURJKSA-N 2 1 286.419 2.090 20 30 CEEDMP C#CCOCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000851793309 643164578 /nfs/dbraw/zinc/16/45/78/643164578.db2.gz UPQHFVASZBWXLQ-SFHVURJKSA-N 2 1 286.419 2.090 20 30 CEEDMP C#CCOCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000851793309 643164581 /nfs/dbraw/zinc/16/45/81/643164581.db2.gz UPQHFVASZBWXLQ-SFHVURJKSA-N 2 1 286.419 2.090 20 30 CEEDMP C[N@@H+]1CC[C@]2(C1)CCC[NH+](C[C@@H](O)c1ccc(C#N)cc1)C2 ZINC000852109337 643311658 /nfs/dbraw/zinc/31/16/58/643311658.db2.gz ZPCOCHGVKXMZAM-MSOLQXFVSA-N 2 1 299.418 2.009 20 30 CEEDMP C[N@H+]1CC[C@]2(C1)CCC[NH+](C[C@@H](O)c1ccc(C#N)cc1)C2 ZINC000852109337 643311659 /nfs/dbraw/zinc/31/16/59/643311659.db2.gz ZPCOCHGVKXMZAM-MSOLQXFVSA-N 2 1 299.418 2.009 20 30 CEEDMP C[NH+]1CC[C@]2(C1)CCC[N@H+](C[C@@H](O)c1ccc(C#N)cc1)C2 ZINC000852109337 643311665 /nfs/dbraw/zinc/31/16/65/643311665.db2.gz ZPCOCHGVKXMZAM-MSOLQXFVSA-N 2 1 299.418 2.009 20 30 CEEDMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](C[C@@H](O)c1ccc(C#N)cc1)C2 ZINC000852109337 643311671 /nfs/dbraw/zinc/31/16/71/643311671.db2.gz ZPCOCHGVKXMZAM-MSOLQXFVSA-N 2 1 299.418 2.009 20 30 CEEDMP C=CCC[C@H](O)C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000923358798 643676877 /nfs/dbraw/zinc/67/68/77/643676877.db2.gz KOHQZIISLSAEJX-OAGGEKHMSA-N 2 1 266.429 2.025 20 30 CEEDMP C[C@@H]1CC2(C[N@H+]1C[C@H](O)c1ccc(C#N)cc1)CC[NH2+]CC2 ZINC000923382573 643688752 /nfs/dbraw/zinc/68/87/52/643688752.db2.gz DDRHHFZJVDPCIL-PBHICJAKSA-N 2 1 299.418 2.056 20 30 CEEDMP N#Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)c1 ZINC000923480437 643730967 /nfs/dbraw/zinc/73/09/67/643730967.db2.gz YOBVXIOIRGHVFZ-LLVKDONJSA-N 2 1 263.772 2.382 20 30 CEEDMP C=CCOCC[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859213622 645422548 /nfs/dbraw/zinc/42/25/48/645422548.db2.gz XOIUHJWSFHMKOF-UHFFFAOYSA-N 2 1 262.397 2.383 20 30 CEEDMP C#CC[C@@H]1CC[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000862442719 646462068 /nfs/dbraw/zinc/46/20/68/646462068.db2.gz GGKDNCYWLFKZJP-MRXNPFEDSA-N 2 1 286.419 2.472 20 30 CEEDMP C[NH+]1CCC2(CC1)CC[NH+](Cc1ccncc1C#N)CC2 ZINC000879251414 651270629 /nfs/dbraw/zinc/27/06/29/651270629.db2.gz VWKGYQZXIJBKQG-UHFFFAOYSA-N 2 1 284.407 2.261 20 30 CEEDMP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccc(OCC#N)cc3)CC[C@@H]21 ZINC000879571520 651323953 /nfs/dbraw/zinc/32/39/53/651323953.db2.gz AXIRIMNSOQYWGF-RDJZCZTQSA-N 2 1 285.391 2.115 20 30 CEEDMP C[N@H+]1CC[C@H]2C[NH+](Cc3ccc(OCC#N)cc3)CC[C@@H]21 ZINC000879571520 651323954 /nfs/dbraw/zinc/32/39/54/651323954.db2.gz AXIRIMNSOQYWGF-RDJZCZTQSA-N 2 1 285.391 2.115 20 30 CEEDMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccc(OCC#N)cc3)CC[C@@H]21 ZINC000879571520 651323955 /nfs/dbraw/zinc/32/39/55/651323955.db2.gz AXIRIMNSOQYWGF-RDJZCZTQSA-N 2 1 285.391 2.115 20 30 CEEDMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc(OCC#N)cc3)CC[C@@H]21 ZINC000879571520 651323956 /nfs/dbraw/zinc/32/39/56/651323956.db2.gz AXIRIMNSOQYWGF-RDJZCZTQSA-N 2 1 285.391 2.115 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000883131506 652372467 /nfs/dbraw/zinc/37/24/67/652372467.db2.gz FPTMBUUIYGQYGB-HNNXBMFYSA-N 2 1 285.391 2.022 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000883131506 652372470 /nfs/dbraw/zinc/37/24/70/652372470.db2.gz FPTMBUUIYGQYGB-HNNXBMFYSA-N 2 1 285.391 2.022 20 30 CEEDMP C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001038433224 805603540 /nfs/dbraw/zinc/60/35/40/805603540.db2.gz XBUDZJUGXDHZCN-AWEZNQCLSA-N 2 1 298.390 2.023 20 30 CEEDMP C=C(C)C[N@H+]1CC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001038433224 805603542 /nfs/dbraw/zinc/60/35/42/805603542.db2.gz XBUDZJUGXDHZCN-AWEZNQCLSA-N 2 1 298.390 2.023 20 30 CEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)[C@H]1CC ZINC001087569858 805752263 /nfs/dbraw/zinc/75/22/63/805752263.db2.gz QKPBIBAKKKRQLZ-ARFHVFGLSA-N 2 1 293.455 2.014 20 30 CEEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)[C@H]1CC ZINC001087569858 805752266 /nfs/dbraw/zinc/75/22/66/805752266.db2.gz QKPBIBAKKKRQLZ-ARFHVFGLSA-N 2 1 293.455 2.014 20 30 CEEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)[C@H]1CC ZINC001087569858 805752269 /nfs/dbraw/zinc/75/22/69/805752269.db2.gz QKPBIBAKKKRQLZ-ARFHVFGLSA-N 2 1 293.455 2.014 20 30 CEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)[C@H]1CC ZINC001087840077 805811847 /nfs/dbraw/zinc/81/18/47/805811847.db2.gz GPJIPYOFRBMNGP-XHSDSOJGSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)[C@H]1CC ZINC001087840077 805811857 /nfs/dbraw/zinc/81/18/57/805811857.db2.gz GPJIPYOFRBMNGP-XHSDSOJGSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)[C@H]1CC ZINC001087840077 805811861 /nfs/dbraw/zinc/81/18/61/805811861.db2.gz GPJIPYOFRBMNGP-XHSDSOJGSA-N 2 1 293.455 2.016 20 30 CEEDMP C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001088279220 806082017 /nfs/dbraw/zinc/08/20/17/806082017.db2.gz NFFZCEPELGULNR-HOTGVXAUSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCCC[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)C(C)C ZINC001271885100 806128172 /nfs/dbraw/zinc/12/81/72/806128172.db2.gz MQVJBKRPCXLROP-HOTGVXAUSA-N 2 1 295.471 2.167 20 30 CEEDMP C=C(C)CC[N@H+](C)CCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001266332632 802450007 /nfs/dbraw/zinc/45/00/07/802450007.db2.gz UUSPDCSNIHXOAH-INIZCTEOSA-N 2 1 295.471 2.265 20 30 CEEDMP C=CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001266551841 802708623 /nfs/dbraw/zinc/70/86/23/802708623.db2.gz AUWOEGQMWSSJRO-HOTGVXAUSA-N 2 1 293.455 2.016 20 30 CEEDMP C=C(C)C[NH+]1CCC[C@H]([C@@H](C)NC(=O)C[N@H+](C)CCC)C1 ZINC001266897163 802976487 /nfs/dbraw/zinc/97/64/87/802976487.db2.gz MBGYJKCENZWYSQ-CVEARBPZSA-N 2 1 295.471 2.121 20 30 CEEDMP C=C(C)C[N@H+]1CCC[C@H]([C@@H](C)NC(=O)C[NH+](C)CCC)C1 ZINC001266897163 802976490 /nfs/dbraw/zinc/97/64/90/802976490.db2.gz MBGYJKCENZWYSQ-CVEARBPZSA-N 2 1 295.471 2.121 20 30 CEEDMP C=C(C)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C[NH+](C)CCC)C1 ZINC001266897163 802976493 /nfs/dbraw/zinc/97/64/93/802976493.db2.gz MBGYJKCENZWYSQ-CVEARBPZSA-N 2 1 295.471 2.121 20 30 CEEDMP C=CCC[N@H+]1CCC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001028029965 804403644 /nfs/dbraw/zinc/40/36/44/804403644.db2.gz OUIIZYLNRYNQFD-HNNXBMFYSA-N 2 1 298.390 2.105 20 30 CEEDMP C=CCC[N@H+](C)CCN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001268254306 804576410 /nfs/dbraw/zinc/57/64/10/804576410.db2.gz NPVAZCAKNPNXCB-UHFFFAOYSA-N 2 1 295.471 2.073 20 30 CEEDMP C=CC[NH2+]C/C=C/CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001268557276 804821256 /nfs/dbraw/zinc/82/12/56/804821256.db2.gz BPOIPWPDHKGUIZ-CMDGGOBGSA-N 2 1 293.455 2.087 20 30 CEEDMP C=C(C)CC[NH2+][C@@H](CC)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001269402150 805155786 /nfs/dbraw/zinc/15/57/86/805155786.db2.gz JDHPGBROOIVHBO-JKSUJKDBSA-N 2 1 295.471 2.310 20 30 CEEDMP C[C@H]1C[N@H+](Cc2cc(C#N)ccc2Cl)C[C@H]1C[NH3+] ZINC001205140954 807790499 /nfs/dbraw/zinc/79/04/99/807790499.db2.gz UUMFQOHKDFQVFH-GXFFZTMASA-N 2 1 263.772 2.238 20 30 CEEDMP C[C@H]1C[N@@H+](Cc2cc(C#N)ccc2Cl)C[C@H]1C[NH3+] ZINC001205140954 807790503 /nfs/dbraw/zinc/79/05/03/807790503.db2.gz UUMFQOHKDFQVFH-GXFFZTMASA-N 2 1 263.772 2.238 20 30 CEEDMP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)C(C)C)C2 ZINC001110160419 815161717 /nfs/dbraw/zinc/16/17/17/815161717.db2.gz OBSGFNKTLSZGDY-PMPSAXMXSA-N 2 1 293.455 2.014 20 30 CEEDMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)C(C)C)C2 ZINC001110160419 815161720 /nfs/dbraw/zinc/16/17/20/815161720.db2.gz OBSGFNKTLSZGDY-PMPSAXMXSA-N 2 1 293.455 2.014 20 30 CEEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)C(C)C)C2 ZINC001110160419 815161726 /nfs/dbraw/zinc/16/17/26/815161726.db2.gz OBSGFNKTLSZGDY-PMPSAXMXSA-N 2 1 293.455 2.014 20 30 CEEDMP C=CCCCCC[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001127701140 808203826 /nfs/dbraw/zinc/20/38/26/808203826.db2.gz KDOBGBWIROOXTM-JKSUJKDBSA-N 2 1 295.471 2.169 20 30 CEEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001015288082 810275161 /nfs/dbraw/zinc/27/51/61/810275161.db2.gz CFGNCUWAOVJJOT-HNNXBMFYSA-N 2 1 298.390 2.105 20 30 CEEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001015796009 810357652 /nfs/dbraw/zinc/35/76/52/810357652.db2.gz UKTGCISWCGGOPK-JKSUJKDBSA-N 2 1 293.455 2.018 20 30 CEEDMP C[C@@H](Cc1ccc(C#N)cc1)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC001172295411 815386637 /nfs/dbraw/zinc/38/66/37/815386637.db2.gz RFCOHPBMJUNODD-WMLDXEAASA-N 2 1 271.408 2.421 20 30 CEEDMP C=C(C)CC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001039051687 810976200 /nfs/dbraw/zinc/97/62/00/810976200.db2.gz XTHCXZPZQGLPDK-HZPDHXFCSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001039051687 810976205 /nfs/dbraw/zinc/97/62/05/810976205.db2.gz XTHCXZPZQGLPDK-HZPDHXFCSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001039051687 810976211 /nfs/dbraw/zinc/97/62/11/810976211.db2.gz XTHCXZPZQGLPDK-HZPDHXFCSA-N 2 1 293.455 2.018 20 30 CEEDMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(C#N)s1)C2 ZINC001169100515 811373331 /nfs/dbraw/zinc/37/33/31/811373331.db2.gz KHXHMFAABWDKEG-CNDDSTCGSA-N 2 1 261.394 2.335 20 30 CEEDMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(C#N)s1)C2 ZINC001169100515 811373344 /nfs/dbraw/zinc/37/33/44/811373344.db2.gz KHXHMFAABWDKEG-CNDDSTCGSA-N 2 1 261.394 2.335 20 30 CEEDMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCOc1ccccc1C#N)C2 ZINC001169107674 811401162 /nfs/dbraw/zinc/40/11/62/811401162.db2.gz JVLJPYBTOZMGIG-MUJYYYPQSA-N 2 1 285.391 2.152 20 30 CEEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C2 ZINC001109733619 811934274 /nfs/dbraw/zinc/93/42/74/811934274.db2.gz YQCMMXSZHYSARJ-UGUYLWEFSA-N 2 1 293.455 2.014 20 30 CEEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C2 ZINC001109733720 811934473 /nfs/dbraw/zinc/93/44/73/811934473.db2.gz CWYWANMUYOTSBE-UGUYLWEFSA-N 2 1 293.455 2.014 20 30 CEEDMP N#Cc1ccc2[nH]cc(C[N@@H+]3CC[C@@H]([NH3+])[C@H](F)CC3)c2c1 ZINC001206173259 815490179 /nfs/dbraw/zinc/49/01/79/815490179.db2.gz GFFOYILNELDCQO-HUUCEWRRSA-N 2 1 286.354 2.301 20 30 CEEDMP C=CCCCCC[NH+]1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001113351095 812226216 /nfs/dbraw/zinc/22/62/16/812226216.db2.gz LSNORPGWHWKUMI-INIZCTEOSA-N 2 1 295.471 2.217 20 30 CEEDMP C=CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001052428182 812991631 /nfs/dbraw/zinc/99/16/31/812991631.db2.gz FNIMEHVQRYYKGZ-CVEARBPZSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC001052428182 812991638 /nfs/dbraw/zinc/99/16/38/812991638.db2.gz FNIMEHVQRYYKGZ-CVEARBPZSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC001052428182 812991644 /nfs/dbraw/zinc/99/16/44/812991644.db2.gz FNIMEHVQRYYKGZ-CVEARBPZSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)C[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001052499514 813000392 /nfs/dbraw/zinc/00/03/92/813000392.db2.gz WRFVHQYBQCJCGZ-HOTGVXAUSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001052499514 813000399 /nfs/dbraw/zinc/00/03/99/813000399.db2.gz WRFVHQYBQCJCGZ-HOTGVXAUSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001052499514 813000405 /nfs/dbraw/zinc/00/04/05/813000405.db2.gz WRFVHQYBQCJCGZ-HOTGVXAUSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CC[N@H+](C)CC ZINC001135860319 813549108 /nfs/dbraw/zinc/54/91/08/813549108.db2.gz ADGOAHZFHGELAM-GJZGRUSLSA-N 2 1 283.460 2.167 20 30 CEEDMP C=CCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@H+](C)CCC ZINC001135980593 813578180 /nfs/dbraw/zinc/57/81/80/813578180.db2.gz QHBYDFVEYIKJJK-LSDHHAIUSA-N 2 1 283.460 2.167 20 30 CEEDMP C=CC[N@@H+]1CCC[C@@H]1c1ccc(N[C@@H]([NH3+])CCC[NH3+])cc1 ZINC001170907116 813632250 /nfs/dbraw/zinc/63/22/50/813632250.db2.gz ZRUDWKFNIKDCCH-IAGOWNOFSA-N 3 1 288.439 2.445 20 30 CEEDMP C=CCCCCCC[C@@H](O)C[N@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC001246025666 813665069 /nfs/dbraw/zinc/66/50/69/813665069.db2.gz ZFWFKWVRJBCOGE-RBSFLKMASA-N 2 1 254.418 2.295 20 30 CEEDMP C=CCCCCCC[C@@H](O)C[N@@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC001246025666 813665074 /nfs/dbraw/zinc/66/50/74/813665074.db2.gz ZFWFKWVRJBCOGE-RBSFLKMASA-N 2 1 254.418 2.295 20 30 CEEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)[C@H]1C ZINC001074693850 813843679 /nfs/dbraw/zinc/84/36/79/813843679.db2.gz XBHVSUJBZJWBEI-JYJNAYRXSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CCOC1CCC([N@H+]2CCC[C@H]([NH3+])CC2)CC1 ZINC001246544309 813966920 /nfs/dbraw/zinc/96/69/20/813966920.db2.gz XMDCKYSGFUNNNF-NFOMZHRRSA-N 2 1 252.402 2.313 20 30 CEEDMP C=CCC[NH2+]C1CC(CNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001100681839 814171810 /nfs/dbraw/zinc/17/18/10/814171810.db2.gz VBXNGEVVRCWFAC-UHFFFAOYSA-N 2 1 295.471 2.025 20 30 CEEDMP C=CCOC1CCC([N@H+]2C[C@H]3C[NH+](CC)C[C@H]3C2)CC1 ZINC001173326342 815676071 /nfs/dbraw/zinc/67/60/71/815676071.db2.gz ZACLOHZQZZPHDP-RYTJFDOTSA-N 2 1 278.440 2.384 20 30 CEEDMP C=CCOC1CCC([N@@H+]2C[C@H]3C[NH+](CC)C[C@H]3C2)CC1 ZINC001173326342 815676074 /nfs/dbraw/zinc/67/60/74/815676074.db2.gz ZACLOHZQZZPHDP-RYTJFDOTSA-N 2 1 278.440 2.384 20 30 CEEDMP CC[NH+]1C[C@@H]2C[NH+](Cc3c[nH]c4ccc(C#N)cc34)C[C@H]2C1 ZINC001140117501 816194085 /nfs/dbraw/zinc/19/40/85/816194085.db2.gz SVDDAUMLWPEQEG-HZPDHXFCSA-N 2 1 294.402 2.423 20 30 CEEDMP C=CCC[NH2+]CCCC[C@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001176164682 816364889 /nfs/dbraw/zinc/36/48/89/816364889.db2.gz DGKJPQLGACEVJK-HOTGVXAUSA-N 2 1 295.471 2.169 20 30 CEEDMP C=CCC[NH2+]CCCCCCNC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001179591285 816881395 /nfs/dbraw/zinc/88/13/95/816881395.db2.gz SOZJBIGNCRMVMV-CVEARBPZSA-N 2 1 295.471 2.026 20 30 CEEDMP C=CCC[NH2+]CCCCCCNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001179580245 816884702 /nfs/dbraw/zinc/88/47/02/816884702.db2.gz ARRNCJZCDYPKTR-MRXNPFEDSA-N 2 1 295.471 2.313 20 30 CEEDMP C[N@H+]1CCC[C@H](CNCc2ccc(C#N)c(F)c2)C1 ZINC000404102540 344877570 /nfs/dbraw/zinc/87/75/70/344877570.db2.gz GCZJPXOWMLUWQQ-CYBMUJFWSA-N 2 1 261.344 2.129 20 30 CEEDMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC000404102540 344877574 /nfs/dbraw/zinc/87/75/74/344877574.db2.gz GCZJPXOWMLUWQQ-CYBMUJFWSA-N 2 1 261.344 2.129 20 30 CEEDMP C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000592184808 345335489 /nfs/dbraw/zinc/33/54/89/345335489.db2.gz RRVLEBSAXZTAKW-HNNXBMFYSA-N 2 1 299.418 2.416 20 30 CEEDMP C[C@@H](c1cccc(C#N)c1)[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000592184808 345335491 /nfs/dbraw/zinc/33/54/91/345335491.db2.gz RRVLEBSAXZTAKW-HNNXBMFYSA-N 2 1 299.418 2.416 20 30 CEEDMP C=CCOc1cccc(C[NH2+]CCc2c[nH+]cn2C)c1 ZINC000623086767 349933909 /nfs/dbraw/zinc/93/39/09/349933909.db2.gz JBQZLQZWGDMELY-UHFFFAOYSA-N 2 1 271.364 2.317 20 30 CEEDMP CC[N@@H+](C)C[C@H]1CC[NH+](CCc2ccc(C#N)cc2)C1 ZINC000595340582 345764964 /nfs/dbraw/zinc/76/49/64/345764964.db2.gz CMFUBFXRYWDCBD-QGZVFWFLSA-N 2 1 271.408 2.374 20 30 CEEDMP CC[NH+](C)C[C@H]1CC[N@H+](CCc2ccc(C#N)cc2)C1 ZINC000595340582 345764966 /nfs/dbraw/zinc/76/49/66/345764966.db2.gz CMFUBFXRYWDCBD-QGZVFWFLSA-N 2 1 271.408 2.374 20 30 CEEDMP CC[NH+](C)C[C@H]1CC[N@@H+](CCc2ccc(C#N)cc2)C1 ZINC000595340582 345764970 /nfs/dbraw/zinc/76/49/70/345764970.db2.gz CMFUBFXRYWDCBD-QGZVFWFLSA-N 2 1 271.408 2.374 20 30 CEEDMP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CCc1ccc(C#N)cc1 ZINC000595891480 345907660 /nfs/dbraw/zinc/90/76/60/345907660.db2.gz IIPZUQBVUJMVGS-WWGRRREGSA-N 2 1 257.381 2.077 20 30 CEEDMP N#Cc1ccc(CC[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000595892155 345908019 /nfs/dbraw/zinc/90/80/19/345908019.db2.gz LDRRHYVUDLZOBY-QGZVFWFLSA-N 2 1 269.392 2.176 20 30 CEEDMP N#Cc1ccc(CC[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000595895979 345909637 /nfs/dbraw/zinc/90/96/37/345909637.db2.gz XVIBKRZVUNKPGH-CALCHBBNSA-N 2 1 269.392 2.032 20 30 CEEDMP Cc1ccc(C[N@H+]2CCC[C@H](CC[NH3+])C2)cc1C#N ZINC000600710815 346675674 /nfs/dbraw/zinc/67/56/74/346675674.db2.gz PSOJMFVRNTXAIA-CQSZACIVSA-N 2 1 257.381 2.428 20 30 CEEDMP N#C[C@@H]1CC[C@H]([N@H+]2CCCN(c3cc[nH+]cc3)CC2)C1 ZINC000602848383 347223619 /nfs/dbraw/zinc/22/36/19/347223619.db2.gz MPUORDGVBGDGGE-ZBFHGGJFSA-N 2 1 270.380 2.286 20 30 CEEDMP N#CCCCOc1cccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000611287858 347763277 /nfs/dbraw/zinc/76/32/77/347763277.db2.gz ZEEMGDZCKFQUNA-IYBDPMFKSA-N 2 1 285.391 2.020 20 30 CEEDMP N#CCCCOc1cccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000611287858 347763280 /nfs/dbraw/zinc/76/32/80/347763280.db2.gz ZEEMGDZCKFQUNA-IYBDPMFKSA-N 2 1 285.391 2.020 20 30 CEEDMP CC(C)[NH2+]C1CC[NH+](CCCSCC#N)CC1 ZINC000072515880 363140318 /nfs/dbraw/zinc/14/03/18/363140318.db2.gz OFTXQZPFLFUQEE-UHFFFAOYSA-N 2 1 255.431 2.096 20 30 CEEDMP C[N@@H+]1CC[C@]2(CC[NH+](Cc3cccc(C#N)c3)C2)C1 ZINC000292268718 198225515 /nfs/dbraw/zinc/22/55/15/198225515.db2.gz ZHRSLTMKWICKLG-INIZCTEOSA-N 2 1 255.365 2.086 20 30 CEEDMP C[N@H+]1CC[C@]2(CC[NH+](Cc3cccc(C#N)c3)C2)C1 ZINC000292268718 198225516 /nfs/dbraw/zinc/22/55/16/198225516.db2.gz ZHRSLTMKWICKLG-INIZCTEOSA-N 2 1 255.365 2.086 20 30 CEEDMP C[NH+]1CC[C@]2(CC[N@H+](Cc3cccc(C#N)c3)C2)C1 ZINC000292268718 198225518 /nfs/dbraw/zinc/22/55/18/198225518.db2.gz ZHRSLTMKWICKLG-INIZCTEOSA-N 2 1 255.365 2.086 20 30 CEEDMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3cccc(C#N)c3)C2)C1 ZINC000292268718 198225520 /nfs/dbraw/zinc/22/55/20/198225520.db2.gz ZHRSLTMKWICKLG-INIZCTEOSA-N 2 1 255.365 2.086 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)COC(C)C)CC1 ZINC000337329803 366141372 /nfs/dbraw/zinc/14/13/72/366141372.db2.gz FYEVEFJHCOOODL-AWEZNQCLSA-N 2 1 254.418 2.430 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](COC)C2CC2)CC1 ZINC000153057973 540144827 /nfs/dbraw/zinc/14/48/27/540144827.db2.gz GOBNGWSTQYMEMW-HNNXBMFYSA-N 2 1 252.402 2.042 20 30 CEEDMP C[C@@H]1CC[N@@H+](CCN[C@@H]2CCc3ccc(C#N)cc32)C1 ZINC000570193039 299244310 /nfs/dbraw/zinc/24/43/10/299244310.db2.gz RGPXWNRPMHOOKD-CXAGYDPISA-N 2 1 269.392 2.477 20 30 CEEDMP Cc1nccn1CCC[N@H+](C)CCOc1ccc(C#N)cc1 ZINC000136310054 366509372 /nfs/dbraw/zinc/50/93/72/366509372.db2.gz FKCICEZURYKQAV-UHFFFAOYSA-N 2 1 298.390 2.464 20 30 CEEDMP Cc1[nH+]ccn1CCC[N@@H+](C)CCOc1ccc(C#N)cc1 ZINC000136310054 366509379 /nfs/dbraw/zinc/50/93/79/366509379.db2.gz FKCICEZURYKQAV-UHFFFAOYSA-N 2 1 298.390 2.464 20 30 CEEDMP Cc1[nH+]ccn1CCC[N@H+](C)CCOc1ccc(C#N)cc1 ZINC000136310054 366509384 /nfs/dbraw/zinc/50/93/84/366509384.db2.gz FKCICEZURYKQAV-UHFFFAOYSA-N 2 1 298.390 2.464 20 30 CEEDMP C=C(C)[C@@H](CO)[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000677478445 541018382 /nfs/dbraw/zinc/01/83/82/541018382.db2.gz YTHSUQJPLDIWCV-DLBZAZTESA-N 2 1 280.456 2.367 20 30 CEEDMP C=C(C)[C@@H](CO)[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000677478445 541018383 /nfs/dbraw/zinc/01/83/83/541018383.db2.gz YTHSUQJPLDIWCV-DLBZAZTESA-N 2 1 280.456 2.367 20 30 CEEDMP N#Cc1cccc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000335538330 212235833 /nfs/dbraw/zinc/23/58/33/212235833.db2.gz IVROHWLBINNFJC-IAGOWNOFSA-N 2 1 269.392 2.380 20 30 CEEDMP C[C@@H]1C[C@@H]([NH2+]CCc2cccc(C#N)c2)CC[N@H+]1C ZINC000343553167 367879567 /nfs/dbraw/zinc/87/95/67/367879567.db2.gz PJNJOZBLXAWRJC-CJNGLKHVSA-N 2 1 257.381 2.173 20 30 CEEDMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCc1cccc(C#N)c1 ZINC000343592283 367903407 /nfs/dbraw/zinc/90/34/07/367903407.db2.gz HYRSDSXKDVUZJK-CPUCHLNUSA-N 2 1 271.408 2.419 20 30 CEEDMP C=CCOc1ccccc1C[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000346688654 368772006 /nfs/dbraw/zinc/77/20/06/368772006.db2.gz YFIIJQDQHVOXLG-ZIAGYGMSSA-N 2 1 260.381 2.421 20 30 CEEDMP C=CCOc1ccc(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cc1OC ZINC000346690251 368772926 /nfs/dbraw/zinc/77/29/26/368772926.db2.gz SZPSLVQKCITHEV-UKRRQHHQSA-N 2 1 290.407 2.429 20 30 CEEDMP C=C(C)CC[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000351759760 369651656 /nfs/dbraw/zinc/65/16/56/369651656.db2.gz STHIAOWDSVYTDV-RBSFLKMASA-N 2 1 252.402 2.136 20 30 CEEDMP C=CCC1([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)CCOCC1 ZINC000639313926 371220023 /nfs/dbraw/zinc/22/00/23/371220023.db2.gz BJXUJOWYTPGYCD-KBPBESRZSA-N 2 1 252.402 2.184 20 30 CEEDMP C=CCC1([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)CCOCC1 ZINC000639313926 371220026 /nfs/dbraw/zinc/22/00/26/371220026.db2.gz BJXUJOWYTPGYCD-KBPBESRZSA-N 2 1 252.402 2.184 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCO[C@@H](C)C2)CC1 ZINC000359394713 371460002 /nfs/dbraw/zinc/46/00/02/371460002.db2.gz UCSHWHZURBWDRY-ZFWWWQNUSA-N 2 1 252.402 2.184 20 30 CEEDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc(C#N)cc1 ZINC000371296136 373835120 /nfs/dbraw/zinc/83/51/20/373835120.db2.gz XGFMKOYCNBPQEC-KURKYZTESA-N 2 1 299.418 2.242 20 30 CEEDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(C#N)cc1 ZINC000371296136 373835128 /nfs/dbraw/zinc/83/51/28/373835128.db2.gz XGFMKOYCNBPQEC-KURKYZTESA-N 2 1 299.418 2.242 20 30 CEEDMP C=C(C)[C@@H](CO)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000684005242 541906856 /nfs/dbraw/zinc/90/68/56/541906856.db2.gz NUOHXXPEGNPTMB-MRXNPFEDSA-N 2 1 289.423 2.336 20 30 CEEDMP C=C[C@H](CO)[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000289685890 376445179 /nfs/dbraw/zinc/44/51/79/376445179.db2.gz HZISHMBYTZWCAM-HYVNUMGLSA-N 2 1 274.408 2.034 20 30 CEEDMP COc1ccc(CN2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1C#N ZINC000292983141 377382236 /nfs/dbraw/zinc/38/22/36/377382236.db2.gz NHCCEGJJIGEHLA-SFHVURJKSA-N 2 1 299.418 2.485 20 30 CEEDMP CC1(C#N)CCC([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)CC1 ZINC000449148309 378197555 /nfs/dbraw/zinc/19/75/55/378197555.db2.gz JVGUCTYMJJRNCI-AQFXKWCLSA-N 2 1 293.455 2.285 20 30 CEEDMP CC[C@@H](C)NC(=[NH2+])NC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000267451728 394679430 /nfs/dbraw/zinc/67/94/30/394679430.db2.gz RPPYWAHHEKSMTO-ZIAGYGMSSA-N 2 1 276.428 2.210 20 30 CEEDMP CC[C@@H](C)NC(=[NH2+])NC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000267451728 394679433 /nfs/dbraw/zinc/67/94/33/394679433.db2.gz RPPYWAHHEKSMTO-ZIAGYGMSSA-N 2 1 276.428 2.210 20 30 CEEDMP COc1cc(C[NH2+][C@@H](C[NH3+])C2CCCC2)ccc1C#N ZINC000415043150 394862008 /nfs/dbraw/zinc/86/20/08/394862008.db2.gz AINSXSDIHFNBMD-HNNXBMFYSA-N 2 1 273.380 2.174 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)C2CCOCC2)CC1 ZINC000153056424 395000436 /nfs/dbraw/zinc/00/04/36/395000436.db2.gz PJZRTELRDXKXSI-AWEZNQCLSA-N 2 1 266.429 2.432 20 30 CEEDMP C=C[C@@H](CO)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000289647482 395082696 /nfs/dbraw/zinc/08/26/96/395082696.db2.gz GBCCAITUKPVGTN-FJIDUMEYSA-N 2 1 286.419 2.319 20 30 CEEDMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(OCC#N)cc1 ZINC000179149541 395179792 /nfs/dbraw/zinc/17/97/92/395179792.db2.gz WFSXVYZBWBSFMB-CKEIUWERSA-N 2 1 287.407 2.407 20 30 CEEDMP Cc1[nH+]ccn1CCCC[NH2+]C[C@@H](C#N)CCC#N ZINC000570082598 395581203 /nfs/dbraw/zinc/58/12/03/395581203.db2.gz OKAZOSSGMRMETH-CQSZACIVSA-N 2 1 259.357 2.005 20 30 CEEDMP C=CC[N@@H+](Cc1ccc(OC)cc1)C[C@@H]1CC[NH2+]C1 ZINC000647881118 395768346 /nfs/dbraw/zinc/76/83/46/395768346.db2.gz BNAOJGSAKAKMID-OAHLLOKOSA-N 2 1 260.381 2.293 20 30 CEEDMP C=CC[N@H+](Cc1ccc(OC)cc1)C[C@@H]1CC[NH2+]C1 ZINC000647881118 395768349 /nfs/dbraw/zinc/76/83/49/395768349.db2.gz BNAOJGSAKAKMID-OAHLLOKOSA-N 2 1 260.381 2.293 20 30 CEEDMP C=CC[C@H]1CC[C@@H]([NH2+]CCC[NH+]2CCC(O)CC2)C1 ZINC000651686236 401371941 /nfs/dbraw/zinc/37/19/41/401371941.db2.gz VBMQZNBOGQYMGH-LSDHHAIUSA-N 2 1 266.429 2.168 20 30 CEEDMP C[C@@H]([NH2+]CCC[NH+](C)C)c1ccc(OCC#N)cc1 ZINC000037213623 173034026 /nfs/dbraw/zinc/03/40/26/173034026.db2.gz GNWZMWMOESYKJW-CYBMUJFWSA-N 2 1 261.369 2.191 20 30 CEEDMP C[C@H]([NH2+]CCC[NH+](C)C)c1ccc(OCC#N)cc1 ZINC000037213622 173034212 /nfs/dbraw/zinc/03/42/12/173034212.db2.gz GNWZMWMOESYKJW-ZDUSSCGKSA-N 2 1 261.369 2.191 20 30 CEEDMP C[C@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(OCC#N)cc1 ZINC000037256027 173066770 /nfs/dbraw/zinc/06/67/70/173066770.db2.gz RSTLJOSMBOBGSG-ZDUSSCGKSA-N 2 1 273.380 2.334 20 30 CEEDMP N#Cc1cccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000037408181 173183610 /nfs/dbraw/zinc/18/36/10/173183610.db2.gz DFBZKFALPXMOCY-OAHLLOKOSA-N 2 1 255.365 2.132 20 30 CEEDMP C=C(C)CC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655773293 415450293 /nfs/dbraw/zinc/45/02/93/415450293.db2.gz UYJODOVVGGYAJY-HNNXBMFYSA-N 2 1 252.402 2.186 20 30 CEEDMP C=CCOc1ccc(C[NH2+]C2CC[NH+](C)CC2)cc1OC ZINC000078420406 177339731 /nfs/dbraw/zinc/33/97/31/177339731.db2.gz FBRXMSGMLNEZPX-UHFFFAOYSA-N 2 1 290.407 2.444 20 30 CEEDMP C=C(C)C[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000364339997 262209464 /nfs/dbraw/zinc/20/94/64/262209464.db2.gz FNIAQTUGVIVSAZ-QLFBSQMISA-N 2 1 252.402 2.042 20 30 CEEDMP CCC[N@H+]1CC[C@@H](CNC(=[NH2+])Nc2cc(F)ccc2F)C1 ZINC000288780237 263105935 /nfs/dbraw/zinc/10/59/35/263105935.db2.gz WJPQGYLQXVJIDW-NSHDSACASA-N 2 1 296.365 2.423 20 30 CEEDMP C[N@@H+](CCCC[NH2+]Cc1cnc2ccc(C#N)cn12)C1CC1 ZINC000453598617 267306220 /nfs/dbraw/zinc/30/62/20/267306220.db2.gz PVPFRQZCGRBKCF-UHFFFAOYSA-N 2 1 297.406 2.170 20 30 CEEDMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CCC(C)(C)C#N)C2)CC1 ZINC000371199089 267368712 /nfs/dbraw/zinc/36/87/12/267368712.db2.gz QZAMRGJWMPNGEE-INIZCTEOSA-N 2 1 292.471 2.027 20 30 CEEDMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(C#N)cc1 ZINC000276629192 278348786 /nfs/dbraw/zinc/34/87/86/278348786.db2.gz JBTHJCCURQKXOT-GFCCVEGCSA-N 2 1 254.337 2.185 20 30 CEEDMP Cc1ccc([C@H](CNC(=[NH2+])NC(C)(C)C)[NH+]2CCCC2)o1 ZINC000262024836 328143880 /nfs/dbraw/zinc/14/38/80/328143880.db2.gz ZBWPTQVBVSEWIS-ZDUSSCGKSA-N 2 1 292.427 2.428 20 30 CEEDMP CN1CCC[NH+]=C1NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000263116059 330044329 /nfs/dbraw/zinc/04/43/29/330044329.db2.gz LNPMAYGSCBMLSB-OAHLLOKOSA-N 2 1 278.444 2.065 20 30 CEEDMP C=CC[NH+](CC=C)[C@H](CN[C@@H]1CCC[C@H]1C[NH3+])C(C)C ZINC000422827660 330156533 /nfs/dbraw/zinc/15/65/33/330156533.db2.gz DYZZHTJQAUFMGW-GVDBMIGSSA-N 2 1 279.472 2.402 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(F)c(OC)c1 ZINC000328104904 330314071 /nfs/dbraw/zinc/31/40/71/330314071.db2.gz MFYBMWJYDYTCGP-ZDUSSCGKSA-N 2 1 278.371 2.440 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(F)c(OC)c1 ZINC000328104904 330314072 /nfs/dbraw/zinc/31/40/72/330314072.db2.gz MFYBMWJYDYTCGP-ZDUSSCGKSA-N 2 1 278.371 2.440 20 30 CEEDMP C#CC[N@@H+](CC)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000490947800 332131837 /nfs/dbraw/zinc/13/18/37/332131837.db2.gz ARSRQYCERLHKAZ-UHFFFAOYSA-N 2 1 254.337 2.031 20 30 CEEDMP C#CC[NH+](C)CCCN[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000491070393 332146079 /nfs/dbraw/zinc/14/60/79/332146079.db2.gz BHZGPHWXMJBGIP-PKOBYXMFSA-N 2 1 299.462 2.367 20 30 CEEDMP C#CC[N@@H+](C)CCCN[C@@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000491070393 332146080 /nfs/dbraw/zinc/14/60/80/332146080.db2.gz BHZGPHWXMJBGIP-PKOBYXMFSA-N 2 1 299.462 2.367 20 30 CEEDMP C#CC[N@H+](C)CCCN[C@@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000491070393 332146081 /nfs/dbraw/zinc/14/60/81/332146081.db2.gz BHZGPHWXMJBGIP-PKOBYXMFSA-N 2 1 299.462 2.367 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+]C[C@H](O)c1cccc2ccccc21 ZINC000491689175 332286766 /nfs/dbraw/zinc/28/67/66/332286766.db2.gz HCPLZTYZTBPURE-IBGZPJMESA-N 2 1 296.414 2.418 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@H](O)c1cccc2ccccc21 ZINC000491689175 332286767 /nfs/dbraw/zinc/28/67/67/332286767.db2.gz HCPLZTYZTBPURE-IBGZPJMESA-N 2 1 296.414 2.418 20 30 CEEDMP C=CCOc1cccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)c1 ZINC000347040585 526902156 /nfs/dbraw/zinc/90/21/56/526902156.db2.gz KRZOVJPKHASBFS-BBRMVZONSA-N 2 1 260.381 2.421 20 30 CEEDMP Cn1c[nH+]cc1CCC[N@H+](C)Cc1cc(C#N)cs1 ZINC000933769715 623998151 /nfs/dbraw/zinc/99/81/51/623998151.db2.gz AEMBCIWVWABHPX-UHFFFAOYSA-N 2 1 274.393 2.418 20 30 CEEDMP Cn1c[nH+]cc1CCC[N@@H+](C)Cc1cc(C#N)cs1 ZINC000933769715 623998153 /nfs/dbraw/zinc/99/81/53/623998153.db2.gz AEMBCIWVWABHPX-UHFFFAOYSA-N 2 1 274.393 2.418 20 30 CEEDMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)C[NH+]=C(N(C)C)N(C)C)C1 ZINC000261998797 624199700 /nfs/dbraw/zinc/19/97/00/624199700.db2.gz OTOSQFHMAAGHDN-OKILXGFUSA-N 2 1 282.476 2.222 20 30 CEEDMP CC(C)CCNC(=[NH2+])NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000157390988 624975038 /nfs/dbraw/zinc/97/50/38/624975038.db2.gz HBNLKLFEAUXYIL-OAHLLOKOSA-N 2 1 282.476 2.305 20 30 CEEDMP CC(C)C[N@H+]1CCC[C@H](CNC(=[NH2+])NC(C)(C)C)C1 ZINC000157394125 624975325 /nfs/dbraw/zinc/97/53/25/624975325.db2.gz CHHVVBUAPZCXJD-CYBMUJFWSA-N 2 1 268.449 2.057 20 30 CEEDMP CCCCNC(=[NH2+])NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000157394919 624975361 /nfs/dbraw/zinc/97/53/61/624975361.db2.gz OOKANUJBKGDSQW-CQSZACIVSA-N 2 1 268.449 2.059 20 30 CEEDMP C=CC(C)(C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000926522988 624979297 /nfs/dbraw/zinc/97/92/97/624979297.db2.gz SYMCBYARFOCCAO-GOOCMWNKSA-N 2 1 266.429 2.430 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(C)c(OC)c1 ZINC000820846365 634549057 /nfs/dbraw/zinc/54/90/57/634549057.db2.gz FPWGQZWRDZOGPH-UHFFFAOYSA-N 2 1 260.381 2.048 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(C)c(OC)c1 ZINC000820846365 634549063 /nfs/dbraw/zinc/54/90/63/634549063.db2.gz FPWGQZWRDZOGPH-UHFFFAOYSA-N 2 1 260.381 2.048 20 30 CEEDMP CC[N@@H+]1CCC[C@H](C[NH2+]CC#Cc2ccccc2)C1 ZINC000892743262 627742822 /nfs/dbraw/zinc/74/28/22/627742822.db2.gz MGFBUSNNCVSWST-QGZVFWFLSA-N 2 1 256.393 2.360 20 30 CEEDMP CC[N@H+]1CCC[C@H](C[NH2+]CC#Cc2ccccc2)C1 ZINC000892743262 627742826 /nfs/dbraw/zinc/74/28/26/627742826.db2.gz MGFBUSNNCVSWST-QGZVFWFLSA-N 2 1 256.393 2.360 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1C[C@H](OCC(C)C)C1(C)C ZINC000328041703 627769996 /nfs/dbraw/zinc/76/99/96/627769996.db2.gz XOUQQGFWNPGRTB-CVEARBPZSA-N 2 1 280.456 2.371 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1C[C@H](OCC(C)C)C1(C)C ZINC000328041703 627769997 /nfs/dbraw/zinc/76/99/97/627769997.db2.gz XOUQQGFWNPGRTB-CVEARBPZSA-N 2 1 280.456 2.371 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+]CCc1ccc(F)c(F)c1 ZINC000894638811 629568749 /nfs/dbraw/zinc/56/87/49/629568749.db2.gz GWUSSGLAGQSYRW-UHFFFAOYSA-N 2 1 266.335 2.052 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+]CCc1ccc(F)c(F)c1 ZINC000894638811 629568754 /nfs/dbraw/zinc/56/87/54/629568754.db2.gz GWUSSGLAGQSYRW-UHFFFAOYSA-N 2 1 266.335 2.052 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+]Cc1cc(C)nc2c1CCCC2 ZINC000894639659 629569382 /nfs/dbraw/zinc/56/93/82/629569382.db2.gz QSASWWXSSNIQEJ-UHFFFAOYSA-N 2 1 285.435 2.314 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1cc(C)nc2c1CCCC2 ZINC000894639659 629569385 /nfs/dbraw/zinc/56/93/85/629569385.db2.gz QSASWWXSSNIQEJ-UHFFFAOYSA-N 2 1 285.435 2.314 20 30 CEEDMP CCCCCCNC(=[NH2+])NCC[N@@H+](C)[C@@H](C)CC ZINC000303987522 631095835 /nfs/dbraw/zinc/09/58/35/631095835.db2.gz VOPWPDVUDUPYAP-ZDUSSCGKSA-N 2 1 256.438 2.201 20 30 CEEDMP C[C@H](C#N)Oc1ccc(CN2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)cc1 ZINC000897621702 631826937 /nfs/dbraw/zinc/82/69/37/631826937.db2.gz OUGUXWHPRKNRBX-UWWQBHOKSA-N 2 1 299.418 2.361 20 30 CEEDMP C[C@H](C#N)Oc1ccc(C[NH+]2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)cc1 ZINC000897621702 631826951 /nfs/dbraw/zinc/82/69/51/631826951.db2.gz OUGUXWHPRKNRBX-UWWQBHOKSA-N 2 1 299.418 2.361 20 30 CEEDMP C[C@H](C#N)Oc1ccc(C[NH+]2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)cc1 ZINC000897621702 631826955 /nfs/dbraw/zinc/82/69/55/631826955.db2.gz OUGUXWHPRKNRBX-UWWQBHOKSA-N 2 1 299.418 2.361 20 30 CEEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001014632886 632639501 /nfs/dbraw/zinc/63/95/01/632639501.db2.gz RYUQQKJDFGJISE-HOTGVXAUSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001014632886 632639505 /nfs/dbraw/zinc/63/95/05/632639505.db2.gz RYUQQKJDFGJISE-HOTGVXAUSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(CC[NH+](C)C)C(=O)Nc1cccnc1-n1cc[nH+]c1C ZINC000900257126 633621767 /nfs/dbraw/zinc/62/17/67/633621767.db2.gz XAJZGLUZHNXZEZ-UHFFFAOYSA-N 2 1 299.378 2.022 20 30 CEEDMP C#CCOc1ccc([C@@H](C)[NH2+]C[C@@H]([NH3+])C2CC2)cc1 ZINC000817964521 633806072 /nfs/dbraw/zinc/80/60/72/633806072.db2.gz BGARXVBXUWQYHU-MLGOLLRUSA-N 2 1 258.365 2.087 20 30 CEEDMP C[N@@H+](CCCC[NH2+]C[C@@H](O)c1ccc(C#N)cc1)C1CC1 ZINC000819362664 634155604 /nfs/dbraw/zinc/15/56/04/634155604.db2.gz PQBASTWGAJIOCV-QGZVFWFLSA-N 2 1 287.407 2.056 20 30 CEEDMP CCC[NH+]=C(NC[C@H]1CC[N@@H+](CCC)C1)NC(C)(C)C ZINC000912509289 638713144 /nfs/dbraw/zinc/71/31/44/638713144.db2.gz AHYZDXCHGYVONR-CQSZACIVSA-N 2 1 282.476 2.462 20 30 CEEDMP C=CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H]1C ZINC000993609412 640659282 /nfs/dbraw/zinc/65/92/82/640659282.db2.gz BNQFRWYMNCPQDP-XJKSGUPXSA-N 2 1 298.390 2.103 20 30 CEEDMP C[NH+]1CCN([NH+]=Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000916248220 640747012 /nfs/dbraw/zinc/74/70/12/640747012.db2.gz SPYXVBRSHDMGSQ-UHFFFAOYSA-N 2 1 286.423 2.258 20 30 CEEDMP CC(C)CNC(=[NH2+])NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000083052658 642041876 /nfs/dbraw/zinc/04/18/76/642041876.db2.gz TUJNSMNZIFNLEJ-HNNXBMFYSA-N 2 1 290.455 2.457 20 30 CEEDMP C#Cc1cccc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000848553790 642049339 /nfs/dbraw/zinc/04/93/39/642049339.db2.gz XJVLAPIWMIEUGG-IBGZPJMESA-N 2 1 298.430 2.401 20 30 CEEDMP C#C[C@@H]1CCC[N@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000848923426 642195477 /nfs/dbraw/zinc/19/54/77/642195477.db2.gz DTARUAFFBNSANI-OAHLLOKOSA-N 2 1 280.375 2.421 20 30 CEEDMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2csc(C#N)c2)C1 ZINC000921581722 642250512 /nfs/dbraw/zinc/25/05/12/642250512.db2.gz NFTZOBGKJHDQRU-LBPRGKRZSA-N 2 1 263.410 2.441 20 30 CEEDMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2csc(C#N)c2)C1 ZINC000921581722 642250516 /nfs/dbraw/zinc/25/05/16/642250516.db2.gz NFTZOBGKJHDQRU-LBPRGKRZSA-N 2 1 263.410 2.441 20 30 CEEDMP C#CCCCCCC[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000877525772 650767353 /nfs/dbraw/zinc/76/73/53/650767353.db2.gz AUSHZLIINFCWMF-UHFFFAOYSA-N 2 1 279.472 2.139 20 30 CEEDMP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2csc(C#N)c2)C1 ZINC000922284642 642999406 /nfs/dbraw/zinc/99/94/06/642999406.db2.gz SCGYWNYAMILLPE-LBPRGKRZSA-N 2 1 263.410 2.441 20 30 CEEDMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2csc(C#N)c2)C1 ZINC000922284642 642999410 /nfs/dbraw/zinc/99/94/10/642999410.db2.gz SCGYWNYAMILLPE-LBPRGKRZSA-N 2 1 263.410 2.441 20 30 CEEDMP C[C@H]1CC2(C[N@H+]1C[C@H](O)c1ccc(C#N)cc1)CC[NH2+]CC2 ZINC000923382580 643688651 /nfs/dbraw/zinc/68/86/51/643688651.db2.gz DDRHHFZJVDPCIL-YOEHRIQHSA-N 2 1 299.418 2.056 20 30 CEEDMP C=CCC[C@@H](O)C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000923388060 643692785 /nfs/dbraw/zinc/69/27/85/643692785.db2.gz NAWJILFOZRWIGS-JKSUJKDBSA-N 2 1 266.429 2.025 20 30 CEEDMP C#Cc1ccc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000839181400 644181055 /nfs/dbraw/zinc/18/10/55/644181055.db2.gz IABJASUUUAHAIO-KRWDZBQOSA-N 2 1 256.393 2.489 20 30 CEEDMP C[NH+](C)C[C@H]1CC[N@@H+](CCCOc2ccc(C#N)cc2)C1 ZINC000113512271 644415704 /nfs/dbraw/zinc/41/57/04/644415704.db2.gz ISPHJWGIUKXQJN-MRXNPFEDSA-N 2 1 287.407 2.211 20 30 CEEDMP N#C[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000774184450 646815519 /nfs/dbraw/zinc/81/55/19/646815519.db2.gz CDDIOMOPPXGKKH-OIISXLGYSA-N 2 1 291.439 2.302 20 30 CEEDMP N#Cc1ccc2c(c1)C[C@H]([NH2+][C@H]1CC[N@H+]3CCC[C@@H]3C1)C2 ZINC000865847927 647492039 /nfs/dbraw/zinc/49/20/39/647492039.db2.gz PSSRNYGUVAQELA-RCCFBDPRSA-N 2 1 281.403 2.242 20 30 CEEDMP C=CCOc1ccc(C[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)cc1 ZINC000873229147 649600436 /nfs/dbraw/zinc/60/04/36/649600436.db2.gz YCFRRTFUIWPGLR-DOTOQJQBSA-N 2 1 272.392 2.293 20 30 CEEDMP C=CCOc1ccc(C[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)cc1 ZINC000873229147 649600438 /nfs/dbraw/zinc/60/04/38/649600438.db2.gz YCFRRTFUIWPGLR-DOTOQJQBSA-N 2 1 272.392 2.293 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000883131022 652372080 /nfs/dbraw/zinc/37/20/80/652372080.db2.gz BUABDYZHVRBFGK-IRXDYDNUSA-N 2 1 256.393 2.335 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000883131022 652372082 /nfs/dbraw/zinc/37/20/82/652372082.db2.gz BUABDYZHVRBFGK-IRXDYDNUSA-N 2 1 256.393 2.335 20 30 CEEDMP C=C(C)CC[NH+](C)CCN(C)C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001272178097 806570325 /nfs/dbraw/zinc/57/03/25/806570325.db2.gz BJKQGZRZQJHVBW-IYBDPMFKSA-N 2 1 295.471 2.216 20 30 CEEDMP C=C(C)CC[N@@H+](C)CCN(C)C(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001272178097 806570329 /nfs/dbraw/zinc/57/03/29/806570329.db2.gz BJKQGZRZQJHVBW-IYBDPMFKSA-N 2 1 295.471 2.216 20 30 CEEDMP C=C(C)CC[N@H+](C)CCN(C)C(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001272178097 806570336 /nfs/dbraw/zinc/57/03/36/806570336.db2.gz BJKQGZRZQJHVBW-IYBDPMFKSA-N 2 1 295.471 2.216 20 30 CEEDMP C=C(C)C[N@H+](C)CCNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001266362839 802490407 /nfs/dbraw/zinc/49/04/07/802490407.db2.gz WTHAVVYEIOMSHU-INIZCTEOSA-N 2 1 295.471 2.121 20 30 CEEDMP C=C(C)C[NH+]1CCCC[C@@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001266845116 802937344 /nfs/dbraw/zinc/93/73/44/802937344.db2.gz UNUXCXNBOUFVIV-MRXNPFEDSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001266845116 802937346 /nfs/dbraw/zinc/93/73/46/802937346.db2.gz UNUXCXNBOUFVIV-MRXNPFEDSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001266845116 802937349 /nfs/dbraw/zinc/93/73/49/802937349.db2.gz UNUXCXNBOUFVIV-MRXNPFEDSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)C[NH2+][C@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001266939109 803010041 /nfs/dbraw/zinc/01/00/41/803010041.db2.gz ABECRUIVVAIEBL-KGLIPLIRSA-N 2 1 292.427 2.067 20 30 CEEDMP C=CCC[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001267617800 803624043 /nfs/dbraw/zinc/62/40/43/803624043.db2.gz KNMYABRMCOALJH-HZPDHXFCSA-N 2 1 295.471 2.264 20 30 CEEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)[C@H]1C ZINC001088857730 807219267 /nfs/dbraw/zinc/21/92/67/807219267.db2.gz BSQNMYYKUVDGGW-OAGGEKHMSA-N 2 1 293.455 2.016 20 30 CEEDMP C#CC[C@H](COC)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000716847723 815153958 /nfs/dbraw/zinc/15/39/58/815153958.db2.gz OSSPVUZHVQVXFS-GOSISDBHSA-N 2 1 286.419 2.279 20 30 CEEDMP C=CC[NH2+][C@H]1CCCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC000999354530 808793143 /nfs/dbraw/zinc/79/31/43/808793143.db2.gz QHQKRQWOBXXLHX-JKSUJKDBSA-N 2 1 293.455 2.016 20 30 CEEDMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cncc(C#N)c1)C2 ZINC001172115983 815306471 /nfs/dbraw/zinc/30/64/71/815306471.db2.gz WXDBSLRHGSGOMP-MUJYYYPQSA-N 2 1 270.380 2.058 20 30 CEEDMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cncc(C#N)c1)C2 ZINC001172115986 815307395 /nfs/dbraw/zinc/30/73/95/815307395.db2.gz WXDBSLRHGSGOMP-PHZGNYQRSA-N 2 1 270.380 2.058 20 30 CEEDMP C=CCCC[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC001122002870 815376876 /nfs/dbraw/zinc/37/68/76/815376876.db2.gz LNKNIBIVZGMAPT-KKUMJFAQSA-N 2 1 281.444 2.001 20 30 CEEDMP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001085217600 810696998 /nfs/dbraw/zinc/69/69/98/810696998.db2.gz ITQQSLNWKYJFTR-BZUAXINKSA-N 2 1 293.455 2.064 20 30 CEEDMP CCCCCCC[NH+]1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001113442869 812240249 /nfs/dbraw/zinc/24/02/49/812240249.db2.gz MHGWZKHEDNLNOY-UHFFFAOYSA-N 2 1 297.487 2.443 20 30 CEEDMP C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001132736955 812934981 /nfs/dbraw/zinc/93/49/81/812934981.db2.gz GUWTZOCJGHFODJ-CVEARBPZSA-N 2 1 295.471 2.169 20 30 CEEDMP C=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001135477655 813446122 /nfs/dbraw/zinc/44/61/22/813446122.db2.gz VVNXLZGOZNWNJD-KBPBESRZSA-N 2 1 283.460 2.023 20 30 CEEDMP C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCc2[nH+]ccn2CC1 ZINC001171227856 814197061 /nfs/dbraw/zinc/19/70/61/814197061.db2.gz BKZZNPVWDYTGQO-AWEZNQCLSA-N 2 1 280.375 2.244 20 30 CEEDMP C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001171227856 814197065 /nfs/dbraw/zinc/19/70/65/814197065.db2.gz BKZZNPVWDYTGQO-AWEZNQCLSA-N 2 1 280.375 2.244 20 30 CEEDMP C=C(C)CC[NH2+]C1CC(CNC(=O)CC[N@H+](C)CCC)C1 ZINC001100898410 814202762 /nfs/dbraw/zinc/20/27/62/814202762.db2.gz DXXGHTJWVHDZSU-UHFFFAOYSA-N 2 1 295.471 2.169 20 30 CEEDMP C=CCOC1CCC([N@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)CC1 ZINC001173322766 815674402 /nfs/dbraw/zinc/67/44/02/815674402.db2.gz LQTGYYWHGITROG-RDHHWEPZSA-N 2 1 278.440 2.384 20 30 CEEDMP C[NH+]1CCC2(C[NH+](Cc3cc(C#N)ccc3F)C2)CC1 ZINC001139649509 816072772 /nfs/dbraw/zinc/07/27/72/816072772.db2.gz LZCGTBLZXVRVHU-UHFFFAOYSA-N 2 1 273.355 2.225 20 30 CEEDMP C[NH+]1CC2(C1)CC[NH+](Cc1cc(C#N)ccc1F)CC2 ZINC001139649640 816074937 /nfs/dbraw/zinc/07/49/37/816074937.db2.gz VLNHOLWCNLFRKO-UHFFFAOYSA-N 2 1 273.355 2.225 20 30 CEEDMP C[NH+]1CCC(C[N@@H+]2Cc3cccc(C#N)c3C2)CC1 ZINC000691578273 816127904 /nfs/dbraw/zinc/12/79/04/816127904.db2.gz VYRUTHUQBPDWPR-UHFFFAOYSA-N 2 1 255.365 2.216 20 30 CEEDMP C[NH+]1CCC(C[N@H+]2Cc3cccc(C#N)c3C2)CC1 ZINC000691578273 816127907 /nfs/dbraw/zinc/12/79/07/816127907.db2.gz VYRUTHUQBPDWPR-UHFFFAOYSA-N 2 1 255.365 2.216 20 30 CEEDMP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)C[N@H+]1CCC[C@H]1C ZINC001175256774 816162890 /nfs/dbraw/zinc/16/28/90/816162890.db2.gz OJDPQCVBWDWPQC-JKSUJKDBSA-N 2 1 295.471 2.311 20 30 CEEDMP C=C(C)C[NH2+]CCCCCCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001179585466 816885264 /nfs/dbraw/zinc/88/52/64/816885264.db2.gz IMLCNZIKZRPJCM-HOTGVXAUSA-N 2 1 295.471 2.026 20 30 CEEDMP CC[N@@H+](C)C[C@@H]1CCN(Cc2ccc(F)c(C#N)c2)C1 ZINC000121593876 365592182 /nfs/dbraw/zinc/59/21/82/365592182.db2.gz YIEHLYAZRQAPHB-AWEZNQCLSA-N 2 1 275.371 2.471 20 30 CEEDMP C=CC[NH+]1CCC(CCC[N@H+](C)CCOC)CC1 ZINC000122148452 365624911 /nfs/dbraw/zinc/62/49/11/365624911.db2.gz UHFODDJUSDIODH-UHFFFAOYSA-N 2 1 254.418 2.243 20 30 CEEDMP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@H]([NH3+])C1CC1 ZINC000591578157 345265950 /nfs/dbraw/zinc/26/59/50/345265950.db2.gz BWUXMRNMJUDLCY-HOTGVXAUSA-N 2 1 255.365 2.263 20 30 CEEDMP C[NH+]1CCC2(CC1)C[N@@H+](CCCC(C)(C)C#N)CCO2 ZINC000592183225 345335016 /nfs/dbraw/zinc/33/50/16/345335016.db2.gz TWCDITMLIINHAL-UHFFFAOYSA-N 2 1 279.428 2.113 20 30 CEEDMP C=C(C)C[NH+]1CCC(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000166524029 539476860 /nfs/dbraw/zinc/47/68/60/539476860.db2.gz RHZMTVQGTUDUQU-DLBZAZTESA-N 2 1 277.456 2.243 20 30 CEEDMP C=C(C)CN1CCC([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000166524029 539476868 /nfs/dbraw/zinc/47/68/68/539476868.db2.gz RHZMTVQGTUDUQU-DLBZAZTESA-N 2 1 277.456 2.243 20 30 CEEDMP C=C(C)CN1CCC([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000166524029 539476870 /nfs/dbraw/zinc/47/68/70/539476870.db2.gz RHZMTVQGTUDUQU-DLBZAZTESA-N 2 1 277.456 2.243 20 30 CEEDMP C[NH+]1CCC([NH2+][C@@H]2CCc3cc(C#N)ccc32)CC1 ZINC000618807804 349044977 /nfs/dbraw/zinc/04/49/77/349044977.db2.gz XCTNFQGWOGVQSM-MRXNPFEDSA-N 2 1 255.365 2.229 20 30 CEEDMP C=C[C@@H]1OCCC[C@H]1[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623540158 350045024 /nfs/dbraw/zinc/04/50/24/350045024.db2.gz NNNRGOUSDBTKFY-MJBXVCDLSA-N 2 1 252.402 2.182 20 30 CEEDMP C#CC[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000306682619 539800366 /nfs/dbraw/zinc/80/03/66/539800366.db2.gz RWXBEDFMNLAQMR-IAGOWNOFSA-N 2 1 254.377 2.074 20 30 CEEDMP C#CC[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000306682619 539800369 /nfs/dbraw/zinc/80/03/69/539800369.db2.gz RWXBEDFMNLAQMR-IAGOWNOFSA-N 2 1 254.377 2.074 20 30 CEEDMP C#CC[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000306682619 539800371 /nfs/dbraw/zinc/80/03/71/539800371.db2.gz RWXBEDFMNLAQMR-IAGOWNOFSA-N 2 1 254.377 2.074 20 30 CEEDMP C#CC[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000306682619 539800373 /nfs/dbraw/zinc/80/03/73/539800373.db2.gz RWXBEDFMNLAQMR-IAGOWNOFSA-N 2 1 254.377 2.074 20 30 CEEDMP C=CC[C@@H]1CC[NH+](CC(O)C[N@H+]2CC[C@@H](CC=C)C2)C1 ZINC000625701358 350550727 /nfs/dbraw/zinc/55/07/27/350550727.db2.gz JJHQFAJVGCOYNK-HZPDHXFCSA-N 2 1 278.440 2.143 20 30 CEEDMP CCCNC(=[NH2+])NC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000136873204 366528527 /nfs/dbraw/zinc/52/85/27/366528527.db2.gz HUZXEHRHQGUGAF-GDBMZVCRSA-N 2 1 288.439 2.211 20 30 CEEDMP C=C(C)[C@H](CO)[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000680401190 541408704 /nfs/dbraw/zinc/40/87/04/541408704.db2.gz IHDBEYHRQBBLCP-FMKPAKJESA-N 2 1 266.429 2.166 20 30 CEEDMP CC[N@@H+](C)C[C@@H]1CCN(Cc2cccc(C#N)c2F)C1 ZINC000340906208 367083414 /nfs/dbraw/zinc/08/34/14/367083414.db2.gz LSQUZOMEVFUIHD-ZDUSSCGKSA-N 2 1 275.371 2.471 20 30 CEEDMP [NH2+]=C(NC[C@H](c1ccco1)[NH+]1CCCC1)Nc1ccccn1 ZINC000170906350 367445364 /nfs/dbraw/zinc/44/53/64/367445364.db2.gz GQQAGQVHVBFTTR-CYBMUJFWSA-N 2 1 299.378 2.238 20 30 CEEDMP C=C(CC)C[N@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343707966 367965365 /nfs/dbraw/zinc/96/53/65/367965365.db2.gz CAZFZIDMMCRUQY-HNNXBMFYSA-N 2 1 265.445 2.053 20 30 CEEDMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCCC#N)[C@H](C)C1 ZINC000184088184 368669444 /nfs/dbraw/zinc/66/94/44/368669444.db2.gz BRWHBDZXVGPELV-HUUCEWRRSA-N 2 1 267.417 2.017 20 30 CEEDMP C=CCOc1ccccc1C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000346650723 368751807 /nfs/dbraw/zinc/75/18/07/368751807.db2.gz PZDPXEWYBJQQHL-KGLIPLIRSA-N 2 1 260.381 2.421 20 30 CEEDMP C=CCOCCC[N@@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000348051761 368875563 /nfs/dbraw/zinc/87/55/63/368875563.db2.gz MYZLIRNLTVDJNU-HNNXBMFYSA-N 2 1 254.418 2.243 20 30 CEEDMP C=C(C)[C@H](CO)[N@H+](C)CCCc1nccn1CCC ZINC000683224484 541776652 /nfs/dbraw/zinc/77/66/52/541776652.db2.gz KAVLYGIAIKTZQZ-AWEZNQCLSA-N 2 1 265.401 2.095 20 30 CEEDMP C=C(C)[C@H](CO)[N@@H+](C)CCCc1[nH+]ccn1CCC ZINC000683224484 541776654 /nfs/dbraw/zinc/77/66/54/541776654.db2.gz KAVLYGIAIKTZQZ-AWEZNQCLSA-N 2 1 265.401 2.095 20 30 CEEDMP C=C(C)[C@H](CO)[N@H+](C)CCCc1[nH+]ccn1CCC ZINC000683224484 541776657 /nfs/dbraw/zinc/77/66/57/541776657.db2.gz KAVLYGIAIKTZQZ-AWEZNQCLSA-N 2 1 265.401 2.095 20 30 CEEDMP C=CC[NH+]1CCC(NC(=O)[C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000247602911 371129569 /nfs/dbraw/zinc/12/95/69/371129569.db2.gz LHHMVVBPSJEBPA-QLFBSQMISA-N 2 1 293.455 2.014 20 30 CEEDMP C=CCOCC[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640534909 372024012 /nfs/dbraw/zinc/02/40/12/372024012.db2.gz XGKFOFXFNSWYNT-UHFFFAOYSA-N 2 1 254.418 2.387 20 30 CEEDMP COCC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000271928429 373221014 /nfs/dbraw/zinc/22/10/14/373221014.db2.gz KBRFKCZIJKRNAL-ZDUSSCGKSA-N 2 1 293.386 2.316 20 30 CEEDMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000271928429 373221022 /nfs/dbraw/zinc/22/10/22/373221022.db2.gz KBRFKCZIJKRNAL-ZDUSSCGKSA-N 2 1 293.386 2.316 20 30 CEEDMP C=CCSCC[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000368424583 373238804 /nfs/dbraw/zinc/23/88/04/373238804.db2.gz LWULOTCKXLUOFK-ARFHVFGLSA-N 2 1 298.496 2.385 20 30 CEEDMP Cn1ccnc1[C@@H]1CCC[N@@H+](Cc2cc(C#N)n(C)c2)C1 ZINC000369685040 373488900 /nfs/dbraw/zinc/48/89/00/373488900.db2.gz ZEQNTKJVKWZINA-CQSZACIVSA-N 2 1 283.379 2.010 20 30 CEEDMP C[N@@H+]1CC[C@@H]2CCN(CCCOc3ccc(C#N)cc3)[C@@H]2C1 ZINC000373141149 374276325 /nfs/dbraw/zinc/27/63/25/374276325.db2.gz QMVIGOFMCAUWLV-SJLPKXTDSA-N 2 1 299.418 2.353 20 30 CEEDMP C[N@H+]1CC[C@@H]2CCN(CCCOc3ccc(C#N)cc3)[C@@H]2C1 ZINC000373141149 374276332 /nfs/dbraw/zinc/27/63/32/374276332.db2.gz QMVIGOFMCAUWLV-SJLPKXTDSA-N 2 1 299.418 2.353 20 30 CEEDMP C=CCC[C@@H](O)C[N@@H+](C)CCCc1[nH+]ccn1CCC ZINC000277156889 374420328 /nfs/dbraw/zinc/42/03/28/374420328.db2.gz JYADDNWCCYNDBG-OAHLLOKOSA-N 2 1 279.428 2.485 20 30 CEEDMP C=CCC[C@@H](O)C[N@H+](C)CCCc1[nH+]ccn1CCC ZINC000277156889 374420330 /nfs/dbraw/zinc/42/03/30/374420330.db2.gz JYADDNWCCYNDBG-OAHLLOKOSA-N 2 1 279.428 2.485 20 30 CEEDMP CN1CC[C@@H]2CC[N@@H+](CCCC3(C#N)CCOCC3)[C@H]2C1 ZINC000375213765 374647066 /nfs/dbraw/zinc/64/70/66/374647066.db2.gz BWEMDINQSKYTQQ-CVEARBPZSA-N 2 1 291.439 2.113 20 30 CEEDMP C[N@@H+]1CC[C@@H]2CCN(CCCC3(C#N)CCOCC3)[C@H]2C1 ZINC000375213765 374647074 /nfs/dbraw/zinc/64/70/74/374647074.db2.gz BWEMDINQSKYTQQ-CVEARBPZSA-N 2 1 291.439 2.113 20 30 CEEDMP C[N@H+]1CC[C@@H]2CCN(CCCC3(C#N)CCOCC3)[C@H]2C1 ZINC000375213765 374647080 /nfs/dbraw/zinc/64/70/80/374647080.db2.gz BWEMDINQSKYTQQ-CVEARBPZSA-N 2 1 291.439 2.113 20 30 CEEDMP C[N@@H+]1CC[C@@H]2CC[NH+](CCCC3(C#N)CCOCC3)[C@H]2C1 ZINC000375213765 374647086 /nfs/dbraw/zinc/64/70/86/374647086.db2.gz BWEMDINQSKYTQQ-CVEARBPZSA-N 2 1 291.439 2.113 20 30 CEEDMP C[N@H+]1CC[C@@H]2CC[NH+](CCCC3(C#N)CCOCC3)[C@H]2C1 ZINC000375213765 374647092 /nfs/dbraw/zinc/64/70/92/374647092.db2.gz BWEMDINQSKYTQQ-CVEARBPZSA-N 2 1 291.439 2.113 20 30 CEEDMP C[NH+]1CC[C@@H]2CC[N@H+](CCCC3(C#N)CCOCC3)[C@H]2C1 ZINC000375213765 374647099 /nfs/dbraw/zinc/64/70/99/374647099.db2.gz BWEMDINQSKYTQQ-CVEARBPZSA-N 2 1 291.439 2.113 20 30 CEEDMP C[NH+]1CC[C@@H]2CC[N@@H+](CCCC3(C#N)CCOCC3)[C@H]2C1 ZINC000375213765 374647104 /nfs/dbraw/zinc/64/71/04/374647104.db2.gz BWEMDINQSKYTQQ-CVEARBPZSA-N 2 1 291.439 2.113 20 30 CEEDMP C#CCOc1ccccc1C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292691982 377263115 /nfs/dbraw/zinc/26/31/15/377263115.db2.gz BPIATXPVUVCIPP-SFHVURJKSA-N 2 1 284.403 2.226 20 30 CEEDMP C#CCOc1ccccc1C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292691982 377263125 /nfs/dbraw/zinc/26/31/25/377263125.db2.gz BPIATXPVUVCIPP-SFHVURJKSA-N 2 1 284.403 2.226 20 30 CEEDMP C#CCOc1ccccc1C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292691982 377263131 /nfs/dbraw/zinc/26/31/31/377263131.db2.gz BPIATXPVUVCIPP-SFHVURJKSA-N 2 1 284.403 2.226 20 30 CEEDMP C#CCOc1ccccc1C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292691982 377263138 /nfs/dbraw/zinc/26/31/38/377263138.db2.gz BPIATXPVUVCIPP-SFHVURJKSA-N 2 1 284.403 2.226 20 30 CEEDMP C#CC[N@H+](C)CCCNc1cc[nH+]cc1Br ZINC000292888730 377333153 /nfs/dbraw/zinc/33/31/53/377333153.db2.gz VNFMOSPXACDZSL-UHFFFAOYSA-N 2 1 282.185 2.211 20 30 CEEDMP C#CC[N@@H+](C)CCCNc1cc[nH+]cc1Br ZINC000292888730 377333159 /nfs/dbraw/zinc/33/31/59/377333159.db2.gz VNFMOSPXACDZSL-UHFFFAOYSA-N 2 1 282.185 2.211 20 30 CEEDMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2(CC#N)CC2)[C@H](C)C1 ZINC000430744690 377546430 /nfs/dbraw/zinc/54/64/30/377546430.db2.gz VKZJIPGZMSNCOQ-CVEARBPZSA-N 2 1 293.455 2.407 20 30 CEEDMP C[N@H+]1CCC[C@@]2(CCN(Cc3ccc(C#N)o3)C2)C1 ZINC000293689051 377701133 /nfs/dbraw/zinc/70/11/33/377701133.db2.gz QMGZQFSMAVPQSC-OAHLLOKOSA-N 2 1 259.353 2.069 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)Cc1ccccc1F ZINC000295043742 378035981 /nfs/dbraw/zinc/03/59/81/378035981.db2.gz PQTRQNNRLXOPLY-CQSZACIVSA-N 2 1 262.372 2.301 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)Cc1ccccc1F ZINC000295043742 378035983 /nfs/dbraw/zinc/03/59/83/378035983.db2.gz PQTRQNNRLXOPLY-CQSZACIVSA-N 2 1 262.372 2.301 20 30 CEEDMP CC[C@H](C)NC(=[NH2+])NC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000267451725 394679507 /nfs/dbraw/zinc/67/95/07/394679507.db2.gz RPPYWAHHEKSMTO-KBPBESRZSA-N 2 1 276.428 2.210 20 30 CEEDMP CC[C@H](C)NC(=[NH2+])NC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000267451725 394679511 /nfs/dbraw/zinc/67/95/11/394679511.db2.gz RPPYWAHHEKSMTO-KBPBESRZSA-N 2 1 276.428 2.210 20 30 CEEDMP CCCCCCNC(=[NH2+])NCCCCn1cc[nH+]c1C ZINC000267453845 394680107 /nfs/dbraw/zinc/68/01/07/394680107.db2.gz SGNSIONGHGDFQM-UHFFFAOYSA-N 2 1 279.432 2.456 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)C2CCOCC2)CC1 ZINC000153056512 395000642 /nfs/dbraw/zinc/00/06/42/395000642.db2.gz PJZRTELRDXKXSI-CQSZACIVSA-N 2 1 266.429 2.432 20 30 CEEDMP C=C[C@H](CO)[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000289685891 395084016 /nfs/dbraw/zinc/08/40/16/395084016.db2.gz HZISHMBYTZWCAM-USXIJHARSA-N 2 1 274.408 2.034 20 30 CEEDMP C=CC[C@@H]1[NH+](C[C@@H](O)C[N@@H+](C)CC)CCCC1(C)C ZINC000567910810 395541856 /nfs/dbraw/zinc/54/18/56/395541856.db2.gz IORRAEIQTAEZJZ-GJZGRUSLSA-N 2 1 268.445 2.366 20 30 CEEDMP C=CC[C@@H]1[NH+](C[C@@H](O)C[N@H+](C)CC)CCCC1(C)C ZINC000567910810 395541858 /nfs/dbraw/zinc/54/18/58/395541858.db2.gz IORRAEIQTAEZJZ-GJZGRUSLSA-N 2 1 268.445 2.366 20 30 CEEDMP C=CC[C@@H]1[N@H+](C[C@@H](O)C[NH+](C)CC)CCCC1(C)C ZINC000567910810 395541861 /nfs/dbraw/zinc/54/18/61/395541861.db2.gz IORRAEIQTAEZJZ-GJZGRUSLSA-N 2 1 268.445 2.366 20 30 CEEDMP C=CC[C@@H]1[N@@H+](C[C@@H](O)C[NH+](C)CC)CCCC1(C)C ZINC000567910810 395541863 /nfs/dbraw/zinc/54/18/63/395541863.db2.gz IORRAEIQTAEZJZ-GJZGRUSLSA-N 2 1 268.445 2.366 20 30 CEEDMP COc1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)ccc1C#N ZINC000574989332 395642956 /nfs/dbraw/zinc/64/29/56/395642956.db2.gz NZCNXIOJOGTGBK-KRWDZBQOSA-N 2 1 285.391 2.142 20 30 CEEDMP COc1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)ccc1C#N ZINC000574989332 395642957 /nfs/dbraw/zinc/64/29/57/395642957.db2.gz NZCNXIOJOGTGBK-KRWDZBQOSA-N 2 1 285.391 2.142 20 30 CEEDMP Cc1cc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)ccc1C#N ZINC000487865407 395667499 /nfs/dbraw/zinc/66/74/99/395667499.db2.gz ZCRFBANFDSETJB-OAHLLOKOSA-N 2 1 257.381 2.250 20 30 CEEDMP Cc1cc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)ccc1C#N ZINC000487865407 395667500 /nfs/dbraw/zinc/66/75/00/395667500.db2.gz ZCRFBANFDSETJB-OAHLLOKOSA-N 2 1 257.381 2.250 20 30 CEEDMP C=CCCC[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652347523 401490715 /nfs/dbraw/zinc/49/07/15/401490715.db2.gz CXUSBRPFEYSVTF-SOUVJXGZSA-N 2 1 252.402 2.171 20 30 CEEDMP C=CCCC[N@@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000652361785 401493871 /nfs/dbraw/zinc/49/38/71/401493871.db2.gz PGKRNSKIXSOFAE-RRFJBIMHSA-N 2 1 252.402 2.313 20 30 CEEDMP C[NH+](C)CC1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC000229958716 153376359 /nfs/dbraw/zinc/37/63/59/153376359.db2.gz UZMLBZYGLMFDEC-UHFFFAOYSA-N 2 1 275.371 2.471 20 30 CEEDMP C=CCCC[C@@H](C)[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662154132 415663111 /nfs/dbraw/zinc/66/31/11/415663111.db2.gz WOABWIDMWRYUFO-GDBMZVCRSA-N 2 1 266.429 2.262 20 30 CEEDMP C=CC[C@]1(C(=O)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)CCC[NH2+]1 ZINC000662680424 415929038 /nfs/dbraw/zinc/92/90/38/415929038.db2.gz VAEAWRNLIZNABS-YQQAZPJKSA-N 2 1 293.455 2.064 20 30 CEEDMP CC[N@H+]1CC[C@@H]([NH+](C)CCCSCC#N)[C@H](C)C1 ZINC000175721214 261242109 /nfs/dbraw/zinc/24/21/09/261242109.db2.gz ZOZTXVMGDPRNDJ-ZIAGYGMSSA-N 2 1 269.458 2.295 20 30 CEEDMP CC[NH+]1CC[C@@H]([N@H+](C)CCCSCC#N)[C@H](C)C1 ZINC000175721214 261242110 /nfs/dbraw/zinc/24/21/10/261242110.db2.gz ZOZTXVMGDPRNDJ-ZIAGYGMSSA-N 2 1 269.458 2.295 20 30 CEEDMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCSCC#N)[C@H](C)C1 ZINC000175721214 261242112 /nfs/dbraw/zinc/24/21/12/261242112.db2.gz ZOZTXVMGDPRNDJ-ZIAGYGMSSA-N 2 1 269.458 2.295 20 30 CEEDMP CC(C)(C)NC(=[NH2+])NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000263247356 262805688 /nfs/dbraw/zinc/80/56/88/262805688.db2.gz NJRQNYFJBKSWJV-GFCCVEGCSA-N 2 1 278.400 2.119 20 30 CEEDMP C[N@@H+](CCC#N)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000367884863 267124627 /nfs/dbraw/zinc/12/46/27/267124627.db2.gz IVKPNPPWGADFNV-UHFFFAOYSA-N 2 1 258.369 2.143 20 30 CEEDMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2ccc(C#N)s2)C1 ZINC000459739196 267337386 /nfs/dbraw/zinc/33/73/86/267337386.db2.gz SJHRNXHNIVHISB-GFCCVEGCSA-N 2 1 263.410 2.441 20 30 CEEDMP N#Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCc3[nH]cnc3C1)CC2 ZINC000570790833 314058038 /nfs/dbraw/zinc/05/80/38/314058038.db2.gz YCPYLMVEUJHCRV-HIFRSBDPSA-N 2 1 278.359 2.416 20 30 CEEDMP CNC(NC[C@H](c1cccs1)[NH+]1CCC(C)CC1)=[NH+]C ZINC000261749420 328141123 /nfs/dbraw/zinc/14/11/23/328141123.db2.gz JNYFPXZNBSASLB-CYBMUJFWSA-N 2 1 294.468 2.316 20 30 CEEDMP CN1CC[NH+]=C1NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000262673517 330025963 /nfs/dbraw/zinc/02/59/63/330025963.db2.gz SCOZYDHSHDBXFV-GXTWGEPZSA-N 2 1 292.452 2.022 20 30 CEEDMP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000424294061 330335631 /nfs/dbraw/zinc/33/56/31/330335631.db2.gz JTCKSUWOTXGSFR-GCSSGZNBSA-N 2 1 264.413 2.040 20 30 CEEDMP C=C[C@@H]1CCCCN1CC(O)C[N@H+]1CCCC[C@H]1C=C ZINC000489499653 332057101 /nfs/dbraw/zinc/05/71/01/332057101.db2.gz SQRPKTNJZIZFIY-HZPDHXFCSA-N 2 1 278.440 2.428 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000491165193 332159451 /nfs/dbraw/zinc/15/94/51/332159451.db2.gz JDUDVMQAXYHJQB-AWEZNQCLSA-N 2 1 299.418 2.177 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000491165193 332159452 /nfs/dbraw/zinc/15/94/52/332159452.db2.gz JDUDVMQAXYHJQB-AWEZNQCLSA-N 2 1 299.418 2.177 20 30 CEEDMP C=CCOc1cccc(C[N@H+](C)C2CC[NH2+]CC2)c1 ZINC000347098553 526896260 /nfs/dbraw/zinc/89/62/60/526896260.db2.gz IZMFDEYXPPTRRT-UHFFFAOYSA-N 2 1 260.381 2.435 20 30 CEEDMP N#Cc1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000733330687 574665037 /nfs/dbraw/zinc/66/50/37/574665037.db2.gz IULSZCCMXGQBLE-GOSISDBHSA-N 2 1 299.418 2.291 20 30 CEEDMP C=CCCCCC[N@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000740426656 574954968 /nfs/dbraw/zinc/95/49/68/574954968.db2.gz DFBKINUNWIUMBP-HNNXBMFYSA-N 2 1 254.418 2.121 20 30 CEEDMP C=CCC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC000968780315 613491365 /nfs/dbraw/zinc/49/13/65/613491365.db2.gz CQALQSXUIJCILV-HOTGVXAUSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC000968780315 613491366 /nfs/dbraw/zinc/49/13/66/613491366.db2.gz CQALQSXUIJCILV-HOTGVXAUSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC000968780315 613491369 /nfs/dbraw/zinc/49/13/69/613491369.db2.gz CQALQSXUIJCILV-HOTGVXAUSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC000968920439 613686236 /nfs/dbraw/zinc/68/62/36/613686236.db2.gz VEZIRGOVCIKAAK-JKSUJKDBSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC000968920439 613686237 /nfs/dbraw/zinc/68/62/37/613686237.db2.gz VEZIRGOVCIKAAK-JKSUJKDBSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC000968920439 613686240 /nfs/dbraw/zinc/68/62/40/613686240.db2.gz VEZIRGOVCIKAAK-JKSUJKDBSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC000968920439 613686243 /nfs/dbraw/zinc/68/62/43/613686243.db2.gz VEZIRGOVCIKAAK-JKSUJKDBSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001024468605 625568762 /nfs/dbraw/zinc/56/87/62/625568762.db2.gz LMNJCHSHHYUWND-CVEARBPZSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001024468605 625568771 /nfs/dbraw/zinc/56/87/71/625568771.db2.gz LMNJCHSHHYUWND-CVEARBPZSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001024468605 625568779 /nfs/dbraw/zinc/56/87/79/625568779.db2.gz LMNJCHSHHYUWND-CVEARBPZSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CC[C@@H]1CC[N@@H+]1C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000934460333 624510046 /nfs/dbraw/zinc/51/00/46/624510046.db2.gz PBBAHHLBDBSDRY-MSOLQXFVSA-N 2 1 286.419 2.274 20 30 CEEDMP C=CC[C@@H]1CC[N@H+]1C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000934460333 624510054 /nfs/dbraw/zinc/51/00/54/624510054.db2.gz PBBAHHLBDBSDRY-MSOLQXFVSA-N 2 1 286.419 2.274 20 30 CEEDMP C=CC[C@@H]1CC[N@@H+]1C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000934460333 624510061 /nfs/dbraw/zinc/51/00/61/624510061.db2.gz PBBAHHLBDBSDRY-MSOLQXFVSA-N 2 1 286.419 2.274 20 30 CEEDMP C=CC[C@@H]1CC[NH+]1C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000934460333 624510067 /nfs/dbraw/zinc/51/00/67/624510067.db2.gz PBBAHHLBDBSDRY-MSOLQXFVSA-N 2 1 286.419 2.274 20 30 CEEDMP C=CC[C@@H]1CC[NH+]1C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000934460333 624510072 /nfs/dbraw/zinc/51/00/72/624510072.db2.gz PBBAHHLBDBSDRY-MSOLQXFVSA-N 2 1 286.419 2.274 20 30 CEEDMP C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001022957275 624792882 /nfs/dbraw/zinc/79/28/82/624792882.db2.gz QAMXYNFHFZSVDM-OWCLPIDISA-N 2 1 293.455 2.064 20 30 CEEDMP C=CC[NH+]1CCC(NCc2cnc(F)cc2C)CC1 ZINC000892881604 627828512 /nfs/dbraw/zinc/82/85/12/627828512.db2.gz ZGRVLCYFSJMQKB-UHFFFAOYSA-N 2 1 263.360 2.269 20 30 CEEDMP C=C(C)C[NH+]1CCC(N[C@@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000902364990 634619901 /nfs/dbraw/zinc/61/99/01/634619901.db2.gz VZFHNWACOWZVQP-MRXNPFEDSA-N 2 1 279.472 2.395 20 30 CEEDMP CC(C)CCC[C@H](C)NC(=[NH2+])NC[C@@H]1CC[N@@H+](C)C1 ZINC000104172190 628680567 /nfs/dbraw/zinc/68/05/67/628680567.db2.gz WFFXYQSVXVGSEJ-KBPBESRZSA-N 2 1 268.449 2.057 20 30 CEEDMP C[N@H+](CCC[NH+]1CCCC1)C[C@H](O)c1ccc(C#N)cc1 ZINC000799174489 630991070 /nfs/dbraw/zinc/99/10/70/630991070.db2.gz JHDWYDXKDZZKCQ-KRWDZBQOSA-N 2 1 287.407 2.009 20 30 CEEDMP C[N@@H+](CCC[NH+]1CCCC1)C[C@H](O)c1ccc(C#N)cc1 ZINC000799174489 630991072 /nfs/dbraw/zinc/99/10/72/630991072.db2.gz JHDWYDXKDZZKCQ-KRWDZBQOSA-N 2 1 287.407 2.009 20 30 CEEDMP Cc1ccc(NC(=[NH2+])NCC[N@H+](C)C(C)C)cc1C ZINC000303980716 631096330 /nfs/dbraw/zinc/09/63/30/631096330.db2.gz OJUXTNPZQGASOI-UHFFFAOYSA-N 2 1 262.401 2.370 20 30 CEEDMP C#Cc1ccc(CN2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)cc1 ZINC000897621632 631825636 /nfs/dbraw/zinc/82/56/36/631825636.db2.gz LEFBTZWDCCGDEE-SJORKVTESA-N 2 1 254.377 2.051 20 30 CEEDMP C#Cc1ccc(C[N@H+]2C[C@H]3C[NH+](C)C[C@@]3(C)C2)cc1 ZINC000897621632 631825652 /nfs/dbraw/zinc/82/56/52/631825652.db2.gz LEFBTZWDCCGDEE-SJORKVTESA-N 2 1 254.377 2.051 20 30 CEEDMP C#Cc1ccc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@@]3(C)C2)cc1 ZINC000897621632 631825654 /nfs/dbraw/zinc/82/56/54/631825654.db2.gz LEFBTZWDCCGDEE-SJORKVTESA-N 2 1 254.377 2.051 20 30 CEEDMP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(C#N)cn1 ZINC000817931106 633785873 /nfs/dbraw/zinc/78/58/73/633785873.db2.gz JACDERZHRLYNHW-DZGCQCFKSA-N 2 1 272.396 2.354 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](O)c2cccc(F)c2)CC1 ZINC000819024482 634044340 /nfs/dbraw/zinc/04/43/40/634044340.db2.gz QYOJWCBPQIFZJO-QGZVFWFLSA-N 2 1 292.398 2.489 20 30 CEEDMP C=CCNC(NC[C@@H]1CC[N@H+](CCC)C1)=[NH+]C(C)(C)C ZINC000912497563 638719648 /nfs/dbraw/zinc/71/96/48/638719648.db2.gz VGCNRKBKEVJDQJ-AWEZNQCLSA-N 2 1 280.460 2.238 20 30 CEEDMP C[C@@H](CCC#N)C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000877030597 650538123 /nfs/dbraw/zinc/53/81/23/650538123.db2.gz GOKZXPTXDBFQFV-GOEBONIOSA-N 2 1 279.428 2.159 20 30 CEEDMP CCCCCCC[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000843346824 640398157 /nfs/dbraw/zinc/39/81/57/640398157.db2.gz OEJZVTLPSWQOIH-INIZCTEOSA-N 2 1 295.471 2.101 20 30 CEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1c(C)cccc1C ZINC000153322512 640461039 /nfs/dbraw/zinc/46/10/39/640461039.db2.gz HZQPHYPRNGBZSR-HNNXBMFYSA-N 2 1 288.439 2.192 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+]Cc1c[nH]nc1-c1ccc(C)o1 ZINC000328159589 640721974 /nfs/dbraw/zinc/72/19/74/640721974.db2.gz HOUHNZZJMIDZCF-UHFFFAOYSA-N 2 1 286.379 2.023 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1c[nH]nc1-c1ccc(C)o1 ZINC000328159589 640721976 /nfs/dbraw/zinc/72/19/76/640721976.db2.gz HOUHNZZJMIDZCF-UHFFFAOYSA-N 2 1 286.379 2.023 20 30 CEEDMP C=CC[NH+](CC=C)[C@@H](CNC(=[NH2+])NC1CCC1)C(C)C ZINC000848991530 642211934 /nfs/dbraw/zinc/21/19/34/642211934.db2.gz LSTCPUDJYSQOTG-HNNXBMFYSA-N 2 1 278.444 2.351 20 30 CEEDMP CCCCCCCCNC(=[NH2+])NCC[NH+]1CCC1 ZINC000849014648 642230625 /nfs/dbraw/zinc/23/06/25/642230625.db2.gz JGILCYGPLLEHJE-UHFFFAOYSA-N 2 1 254.422 2.167 20 30 CEEDMP CCNC(NC[C@@H]1CCC[N@H+]1C1CCCCC1)=[NH+]CC ZINC000849026051 642239190 /nfs/dbraw/zinc/23/91/90/642239190.db2.gz LBGQYFDOGVRQNH-HNNXBMFYSA-N 2 1 280.460 2.359 20 30 CEEDMP C=C(C)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC000999142574 642461568 /nfs/dbraw/zinc/46/15/68/642461568.db2.gz BHBYHLQAUQHGAR-JKSUJKDBSA-N 2 1 293.455 2.016 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922147212 642906280 /nfs/dbraw/zinc/90/62/80/642906280.db2.gz NMNZIYYXHGNNDF-UHFFFAOYSA-N 2 1 272.392 2.056 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922147212 642906282 /nfs/dbraw/zinc/90/62/82/642906282.db2.gz NMNZIYYXHGNNDF-UHFFFAOYSA-N 2 1 272.392 2.056 20 30 CEEDMP C#CC[C@@H]1CC[N@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000862445433 646463155 /nfs/dbraw/zinc/46/31/55/646463155.db2.gz TVHGYRMCRUKABB-OAHLLOKOSA-N 2 1 280.375 2.421 20 30 CEEDMP N#Cc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CC[N@H+]3CCC[C@@H]3C1)C2 ZINC000865847925 647492242 /nfs/dbraw/zinc/49/22/42/647492242.db2.gz PSSRNYGUVAQELA-KZNAEPCWSA-N 2 1 281.403 2.242 20 30 CEEDMP C[N@H+](CCc1cccc(C#N)c1)CC[C@H]1CCC[NH2+]C1 ZINC000866698547 647873446 /nfs/dbraw/zinc/87/34/46/647873446.db2.gz XSPWCSKUZVYQSU-MRXNPFEDSA-N 2 1 271.408 2.422 20 30 CEEDMP C[NH+](C)[C@@H]1CCCC(=[NH+]n2cc(Br)cn2)C1 ZINC000788437231 648183519 /nfs/dbraw/zinc/18/35/19/648183519.db2.gz OWAIBSQJGKVYEV-LLVKDONJSA-N 2 1 285.189 2.354 20 30 CEEDMP C[N@@H+](CCc1cccc(C#N)c1)C[C@@]1(C)CC[NH2+]C1 ZINC000873218917 649594969 /nfs/dbraw/zinc/59/49/69/649594969.db2.gz BVVPBEJNNNATEW-INIZCTEOSA-N 2 1 257.381 2.032 20 30 CEEDMP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccc(OCC#N)cc3)CC[C@H]21 ZINC000879571518 651323921 /nfs/dbraw/zinc/32/39/21/651323921.db2.gz AXIRIMNSOQYWGF-DOTOQJQBSA-N 2 1 285.391 2.115 20 30 CEEDMP C[N@H+]1CC[C@H]2C[NH+](Cc3ccc(OCC#N)cc3)CC[C@H]21 ZINC000879571518 651323922 /nfs/dbraw/zinc/32/39/22/651323922.db2.gz AXIRIMNSOQYWGF-DOTOQJQBSA-N 2 1 285.391 2.115 20 30 CEEDMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccc(OCC#N)cc3)CC[C@H]21 ZINC000879571518 651323923 /nfs/dbraw/zinc/32/39/23/651323923.db2.gz AXIRIMNSOQYWGF-DOTOQJQBSA-N 2 1 285.391 2.115 20 30 CEEDMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc(OCC#N)cc3)CC[C@H]21 ZINC000879571518 651323924 /nfs/dbraw/zinc/32/39/24/651323924.db2.gz AXIRIMNSOQYWGF-DOTOQJQBSA-N 2 1 285.391 2.115 20 30 CEEDMP C[C@H]1C[N@@H+](CCCSCC#N)CCN1c1cc[nH+]cc1 ZINC000880263355 651412636 /nfs/dbraw/zinc/41/26/36/651412636.db2.gz WZCXEVRTHGFIRR-AWEZNQCLSA-N 2 1 290.436 2.239 20 30 CEEDMP C=CCC[C@@H]([NH2+]C1CC[NH+](C)CC1)[C@H]1CCCO1 ZINC000883166920 652385980 /nfs/dbraw/zinc/38/59/80/652385980.db2.gz LPWSVUFCGXHKBT-HUUCEWRRSA-N 2 1 252.402 2.184 20 30 CEEDMP C#CC[N@@H+]1CCC[C@@H](Nc2cc[nH+]cc2C(F)(F)F)C1 ZINC000884610054 652941844 /nfs/dbraw/zinc/94/18/44/652941844.db2.gz CEJVJVRYAAYCBD-LLVKDONJSA-N 2 1 283.297 2.032 20 30 CEEDMP C=CCCC[NH2+]CCCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001168029958 805821721 /nfs/dbraw/zinc/82/17/21/805821721.db2.gz LAFMPYSVLJZJHU-CVEARBPZSA-N 2 1 293.455 2.065 20 30 CEEDMP C=C(C)CC[NH2+]CCCNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001168030052 805822139 /nfs/dbraw/zinc/82/21/39/805822139.db2.gz MCGXBPZLBTUPAT-HOTGVXAUSA-N 2 1 293.455 2.065 20 30 CEEDMP C=CC[C@H](C)[N@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000715051404 814926034 /nfs/dbraw/zinc/92/60/34/814926034.db2.gz CDHCQGUXOMFSHU-AXFHLTTASA-N 2 1 250.308 2.410 20 30 CEEDMP C=CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001271261632 805904299 /nfs/dbraw/zinc/90/42/99/805904299.db2.gz OTDXDKYKEAASQB-HOTGVXAUSA-N 2 1 295.471 2.166 20 30 CEEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)[C@H]1C ZINC001088563350 806420264 /nfs/dbraw/zinc/42/02/64/806420264.db2.gz NHNPKJQEAMDNRT-OWCLPIDISA-N 2 1 293.455 2.014 20 30 CEEDMP C=CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)[C@H]1C ZINC001088563350 806420270 /nfs/dbraw/zinc/42/02/70/806420270.db2.gz NHNPKJQEAMDNRT-OWCLPIDISA-N 2 1 293.455 2.014 20 30 CEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)[C@H]1C ZINC001088563350 806420275 /nfs/dbraw/zinc/42/02/75/806420275.db2.gz NHNPKJQEAMDNRT-OWCLPIDISA-N 2 1 293.455 2.014 20 30 CEEDMP C=CCCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001272938854 808959505 /nfs/dbraw/zinc/95/95/05/808959505.db2.gz XTFKHELVOSJNIY-CVEARBPZSA-N 2 1 293.455 2.018 20 30 CEEDMP C#CCN(C)CCC[NH2+]Cc1ccc(F)c(F)c1F ZINC000693437626 802913183 /nfs/dbraw/zinc/91/31/83/802913183.db2.gz VCPPPXQBHQAEKN-UHFFFAOYSA-N 2 1 270.298 2.149 20 30 CEEDMP C#CC[N@H+](C)CCCNCc1ccc(Cl)s1 ZINC000382208937 803232683 /nfs/dbraw/zinc/23/26/83/803232683.db2.gz KUQWWKUAGXFKBB-UHFFFAOYSA-N 2 1 256.802 2.446 20 30 CEEDMP C#CC[N@@H+](C)CCCNCc1ccc(Cl)s1 ZINC000382208937 803232686 /nfs/dbraw/zinc/23/26/86/803232686.db2.gz KUQWWKUAGXFKBB-UHFFFAOYSA-N 2 1 256.802 2.446 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(Cl)s1 ZINC000382208937 803232693 /nfs/dbraw/zinc/23/26/93/803232693.db2.gz KUQWWKUAGXFKBB-UHFFFAOYSA-N 2 1 256.802 2.446 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(Cl)s1 ZINC000382208937 803232699 /nfs/dbraw/zinc/23/26/99/803232699.db2.gz KUQWWKUAGXFKBB-UHFFFAOYSA-N 2 1 256.802 2.446 20 30 CEEDMP C=C(C)CC[NH2+]CC1(NC(=O)[C@H]2CCC[N@@H+]2C)CCCC1 ZINC001267839798 803768775 /nfs/dbraw/zinc/76/87/75/803768775.db2.gz CSHLIEQKJAWFQT-OAHLLOKOSA-N 2 1 293.455 2.065 20 30 CEEDMP C=CC[N@H+](C)[C@@H]1CCCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001027480668 804087087 /nfs/dbraw/zinc/08/70/87/804087087.db2.gz KKMMXNSOYAATQK-OAHLLOKOSA-N 2 1 298.390 2.057 20 30 CEEDMP C=C(C)C[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001027917576 804341015 /nfs/dbraw/zinc/34/10/15/804341015.db2.gz CDGGDGDDQMAPRJ-HOTGVXAUSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001027917576 804341024 /nfs/dbraw/zinc/34/10/24/804341024.db2.gz CDGGDGDDQMAPRJ-HOTGVXAUSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001027917576 804341030 /nfs/dbraw/zinc/34/10/30/804341030.db2.gz CDGGDGDDQMAPRJ-HOTGVXAUSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001028028728 804400991 /nfs/dbraw/zinc/40/09/91/804400991.db2.gz IRMPTKMYKGLYDG-HNNXBMFYSA-N 2 1 298.390 2.105 20 30 CEEDMP C=C(C)CC[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)CC)C[C@@H]1C ZINC001268138768 804481248 /nfs/dbraw/zinc/48/12/48/804481248.db2.gz CSKRJRWLBCUQRP-HOTGVXAUSA-N 2 1 295.471 2.121 20 30 CEEDMP C#CCOc1ccc(C[N@@H+]2CCC[C@H]([NH3+])CC2)cc1 ZINC001205102405 807635474 /nfs/dbraw/zinc/63/54/74/807635474.db2.gz RNHXNLPNOFSBRM-HNNXBMFYSA-N 2 1 258.365 2.012 20 30 CEEDMP CCCCCCCCC[N@H+]1C[C@H]2C[NH2+]C[C@@]2(CO)C1 ZINC001235003155 807759727 /nfs/dbraw/zinc/75/97/27/807759727.db2.gz UAYIOAHHUMUEQI-CVEARBPZSA-N 2 1 268.445 2.251 20 30 CEEDMP CC#CC[NH2+]CCCC[C@H](C)NC(=O)C(C)(C)[N@H+](C)CC ZINC001171596958 815202989 /nfs/dbraw/zinc/20/29/89/815202989.db2.gz SKPRRSBKHYDJIB-HNNXBMFYSA-N 2 1 295.471 2.005 20 30 CEEDMP Cc1ccc(CN2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)cc1C#N ZINC000702432956 809553638 /nfs/dbraw/zinc/55/36/38/809553638.db2.gz OQRDATPSHGKYHX-SJORKVTESA-N 2 1 269.392 2.250 20 30 CEEDMP C=CCCC[C@@H]([NH3+])C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC001121991744 815374974 /nfs/dbraw/zinc/37/49/74/815374974.db2.gz ZKHYUFCEKDDEIQ-HZPDHXFCSA-N 2 1 295.471 2.298 20 30 CEEDMP C=CCC[C@H](C)[NH2+]CCNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001129329545 811110989 /nfs/dbraw/zinc/11/09/89/811110989.db2.gz YFBQAHTYRUBZOA-JKSUJKDBSA-N 2 1 295.471 2.025 20 30 CEEDMP C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109673294 811926295 /nfs/dbraw/zinc/92/62/95/811926295.db2.gz HPESBLSZWLBQPA-FZKCQIBNSA-N 2 1 293.455 2.014 20 30 CEEDMP C=CCCCCC[NH+]1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001113686748 812302859 /nfs/dbraw/zinc/30/28/59/812302859.db2.gz UBSYOEBABNCPRR-UHFFFAOYSA-N 2 1 295.471 2.217 20 30 CEEDMP C=CCCCCC[NH+]1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001113686748 812302864 /nfs/dbraw/zinc/30/28/64/812302864.db2.gz UBSYOEBABNCPRR-UHFFFAOYSA-N 2 1 295.471 2.217 20 30 CEEDMP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)CC1 ZINC001052938032 812476827 /nfs/dbraw/zinc/47/68/27/812476827.db2.gz PKRFUHZPERXDLD-MRXNPFEDSA-N 2 1 293.455 2.019 20 30 CEEDMP CCCCCCC[NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001130303783 812554898 /nfs/dbraw/zinc/55/48/98/812554898.db2.gz JRNBZXNMYSYKBY-OAHLLOKOSA-N 2 1 283.460 2.147 20 30 CEEDMP C=CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001052378167 812984802 /nfs/dbraw/zinc/98/48/02/812984802.db2.gz SNHRVWOGOMWGLU-HOTGVXAUSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001052378167 812984808 /nfs/dbraw/zinc/98/48/08/812984808.db2.gz SNHRVWOGOMWGLU-HOTGVXAUSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001052378167 812984815 /nfs/dbraw/zinc/98/48/15/812984815.db2.gz SNHRVWOGOMWGLU-HOTGVXAUSA-N 2 1 293.455 2.016 20 30 CEEDMP CCCCCCC[NH2+]CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001133849599 813165681 /nfs/dbraw/zinc/16/56/81/813165681.db2.gz AJKUQAXTKKXDMP-HNNXBMFYSA-N 2 1 283.460 2.004 20 30 CEEDMP C=CCC[C@@H](C)[NH2+]CCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001133906444 813175161 /nfs/dbraw/zinc/17/51/61/813175161.db2.gz WAZGKQVYGLHQKZ-CQSZACIVSA-N 2 1 283.460 2.025 20 30 CEEDMP C=CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001170742959 813243939 /nfs/dbraw/zinc/24/39/39/813243939.db2.gz OZNOWZFXAYCGKD-JKSUJKDBSA-N 2 1 295.471 2.310 20 30 CEEDMP C=CC[N@@H+]1CCC[C@@H]1c1ccc(N[C@@]([NH3+])(CC)CO)cc1 ZINC001170866832 813564266 /nfs/dbraw/zinc/56/42/66/813564266.db2.gz ZTMBZLUUAKFLIR-SJORKVTESA-N 2 1 289.423 2.479 20 30 CEEDMP C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@H]1CCCC[NH2+]C1 ZINC001246090867 813680427 /nfs/dbraw/zinc/68/04/27/813680427.db2.gz MFVSUGROYRXBNH-CJNGLKHVSA-N 2 1 257.381 2.221 20 30 CEEDMP C[C@H](Cc1cccc(C#N)c1)[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001246539444 813944500 /nfs/dbraw/zinc/94/45/00/813944500.db2.gz HNLLUEPJHJLZIJ-WOSRLPQWSA-N 2 1 257.381 2.016 20 30 CEEDMP Cc1c[nH+]c(CC[NH3+])n1[C@H](C)Cc1cccc(C#N)c1 ZINC001171179704 814060804 /nfs/dbraw/zinc/06/08/04/814060804.db2.gz WUKBGOHSEGCMER-GFCCVEGCSA-N 2 1 268.364 2.368 20 30 CEEDMP C=CCC[NH2+]CCCC[C@H](C)NC(=O)C[N@H+]1CCC[C@H]1C ZINC001175255812 816163474 /nfs/dbraw/zinc/16/34/74/816163474.db2.gz HIGGFUCUWCIQDF-JKSUJKDBSA-N 2 1 295.471 2.311 20 30 CEEDMP COCC#CC[N@@H+]1CCC[C@H]1CC[NH+]1CCC(C)CC1 ZINC001175351910 816179008 /nfs/dbraw/zinc/17/90/08/816179008.db2.gz MWSRVHOGEPHXIN-KRWDZBQOSA-N 2 1 278.440 2.223 20 30 CEEDMP COCC#CC[N@H+]1CCC[C@H]1CC[NH+]1CCC(C)CC1 ZINC001175351910 816179010 /nfs/dbraw/zinc/17/90/10/816179010.db2.gz MWSRVHOGEPHXIN-KRWDZBQOSA-N 2 1 278.440 2.223 20 30 CEEDMP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001176753639 816472709 /nfs/dbraw/zinc/47/27/09/816472709.db2.gz JHSOADZPSULWNE-HNNXBMFYSA-N 2 1 283.460 2.167 20 30 CEEDMP C=CC[NH2+]CCCCCCNC(=O)C[N@H+](C)CC(C)(C)C ZINC001179592733 816881613 /nfs/dbraw/zinc/88/16/13/816881613.db2.gz KYQMCOMSAYBIJL-UHFFFAOYSA-N 2 1 297.487 2.417 20 30 CEEDMP C=CCC[C@H](CC)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000128524230 365794335 /nfs/dbraw/zinc/79/43/35/365794335.db2.gz VANDWBIXYADVCO-INIZCTEOSA-N 2 1 267.461 2.348 20 30 CEEDMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](C[C@H](C)CCC#N)C2)CC1 ZINC000602481130 347053115 /nfs/dbraw/zinc/05/31/15/347053115.db2.gz FICIDSXTRMFGJG-IAGOWNOFSA-N 2 1 292.471 2.027 20 30 CEEDMP CC(C)OCC[NH+]1CCC([NH2+]C[C@H](C)CCC#N)CC1 ZINC000602573775 347084088 /nfs/dbraw/zinc/08/40/88/347084088.db2.gz UILQWCHGFQUOCP-OAHLLOKOSA-N 2 1 281.444 2.405 20 30 CEEDMP CC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000595058178 345736877 /nfs/dbraw/zinc/73/68/77/345736877.db2.gz YWNIXURSPUQTLS-WMLDXEAASA-N 2 1 271.408 2.421 20 30 CEEDMP N#Cc1ccccc1C[N@@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000598683292 346400107 /nfs/dbraw/zinc/40/01/07/346400107.db2.gz REDFTAHRMNJEMQ-BZSNNMDCSA-N 2 1 299.418 2.277 20 30 CEEDMP N#Cc1ccccc1C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000598684306 346400163 /nfs/dbraw/zinc/40/01/63/346400163.db2.gz VOVZKVNHTVCVOH-KURKYZTESA-N 2 1 299.418 2.419 20 30 CEEDMP N#CCc1cccc2c1CC[N@H+](C[C@H]1CCC[NH2+]C1)C2 ZINC000600752436 346684265 /nfs/dbraw/zinc/68/42/65/346684265.db2.gz XFTVILJSLWWDLD-AWEZNQCLSA-N 2 1 269.392 2.110 20 30 CEEDMP N#CCc1cccc2c1CC[N@@H+](C[C@H]1CCC[NH2+]C1)C2 ZINC000600752436 346684269 /nfs/dbraw/zinc/68/42/69/346684269.db2.gz XFTVILJSLWWDLD-AWEZNQCLSA-N 2 1 269.392 2.110 20 30 CEEDMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3cccc(C#N)n3)C2)CC1 ZINC000602661939 347129640 /nfs/dbraw/zinc/12/96/40/347129640.db2.gz JIEJZSSDVBOWDD-OAHLLOKOSA-N 2 1 284.407 2.117 20 30 CEEDMP CC(C)[NH+]1CCN(CCC[N@@H+](C)[C@H]2CCC[C@@H]2C#N)CC1 ZINC000602981019 347263983 /nfs/dbraw/zinc/26/39/83/347263983.db2.gz YQSRXFBGXJMZOE-SJORKVTESA-N 2 1 292.471 2.027 20 30 CEEDMP C#C[C@@H](C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000123103377 187071398 /nfs/dbraw/zinc/07/13/98/187071398.db2.gz MKAVCYVAAWHUPM-OAHLLOKOSA-N 2 1 256.393 2.305 20 30 CEEDMP Cc1[nH+]ccn1CC[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000271802403 191337532 /nfs/dbraw/zinc/33/75/32/191337532.db2.gz PGBPLTKVFRIZCF-UHFFFAOYSA-N 2 1 266.348 2.342 20 30 CEEDMP N#Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000150842312 366600482 /nfs/dbraw/zinc/60/04/82/366600482.db2.gz YNNFLDJKJZJBPT-KRWDZBQOSA-N 2 1 269.392 2.476 20 30 CEEDMP N#Cc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000150842312 366600484 /nfs/dbraw/zinc/60/04/84/366600484.db2.gz YNNFLDJKJZJBPT-KRWDZBQOSA-N 2 1 269.392 2.476 20 30 CEEDMP CC[N@H+]1CC[C@H]([NH2+]CCOc2ccc(C#N)cc2)[C@H](C)C1 ZINC000090106712 364040613 /nfs/dbraw/zinc/04/06/13/364040613.db2.gz GVJLDKAWJPGCPV-PBHICJAKSA-N 2 1 287.407 2.257 20 30 CEEDMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)CC[N@@H+]1C ZINC000334670367 364160545 /nfs/dbraw/zinc/16/05/45/364160545.db2.gz LUEQJDDZVCHPMO-BXUZGUMPSA-N 2 1 261.344 2.270 20 30 CEEDMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)CC[N@H+]1C ZINC000334670367 364160547 /nfs/dbraw/zinc/16/05/47/364160547.db2.gz LUEQJDDZVCHPMO-BXUZGUMPSA-N 2 1 261.344 2.270 20 30 CEEDMP Cc1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1C#N ZINC000335878079 365104773 /nfs/dbraw/zinc/10/47/73/365104773.db2.gz QDGPSMOOAKASHR-BBRMVZONSA-N 2 1 257.381 2.439 20 30 CEEDMP C=CCCC[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000117881241 365129167 /nfs/dbraw/zinc/12/91/67/365129167.db2.gz NYXSLOAFTOFCJH-INIZCTEOSA-N 2 1 265.445 2.055 20 30 CEEDMP CN(Cc1cccc(C#N)c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000170884188 367441124 /nfs/dbraw/zinc/44/11/24/367441124.db2.gz LOEWHROCOSKJND-MRXNPFEDSA-N 2 1 257.381 2.332 20 30 CEEDMP C[N@@H+](Cc1cccc(C#N)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000170884188 367441129 /nfs/dbraw/zinc/44/11/29/367441129.db2.gz LOEWHROCOSKJND-MRXNPFEDSA-N 2 1 257.381 2.332 20 30 CEEDMP C[N@H+](Cc1cccc(C#N)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000170884188 367441132 /nfs/dbraw/zinc/44/11/32/367441132.db2.gz LOEWHROCOSKJND-MRXNPFEDSA-N 2 1 257.381 2.332 20 30 CEEDMP C[NH+](Cc1cccc(C#N)c1)C[C@@H]1CCC[N@H+](C)C1 ZINC000170884188 367441136 /nfs/dbraw/zinc/44/11/36/367441136.db2.gz LOEWHROCOSKJND-MRXNPFEDSA-N 2 1 257.381 2.332 20 30 CEEDMP COCC[NH+]1CCC([NH2+][C@@H](C)c2cccc(C#N)c2)CC1 ZINC000178178775 368289899 /nfs/dbraw/zinc/28/98/99/368289899.db2.gz VPUCFNGKKAAMRM-AWEZNQCLSA-N 2 1 287.407 2.320 20 30 CEEDMP C=CCOc1ccccc1C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000634998356 369030089 /nfs/dbraw/zinc/03/00/89/369030089.db2.gz DSBONPXMYDFDIB-DZGCQCFKSA-N 2 1 260.381 2.278 20 30 CEEDMP C=CCOc1cccc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000635000529 369035342 /nfs/dbraw/zinc/03/53/42/369035342.db2.gz QAQRDZWWNHLGBD-UKRRQHHQSA-N 2 1 260.381 2.278 20 30 CEEDMP C[N@H+]1C[C@@H]2C[NH+](Cc3cccc(OCCCC#N)c3)C[C@@H]2C1 ZINC000194536536 370048401 /nfs/dbraw/zinc/04/84/01/370048401.db2.gz HOPDPCBBJISYKW-CALCHBBNSA-N 2 1 299.418 2.363 20 30 CEEDMP C[N@@H+]1C[C@@H]2C[NH+](Cc3cccc(OCCCC#N)c3)C[C@@H]2C1 ZINC000194536536 370048403 /nfs/dbraw/zinc/04/84/03/370048403.db2.gz HOPDPCBBJISYKW-CALCHBBNSA-N 2 1 299.418 2.363 20 30 CEEDMP C[NH+]1C[C@@H]2C[N@@H+](Cc3cccc(OCCCC#N)c3)C[C@@H]2C1 ZINC000194536536 370048406 /nfs/dbraw/zinc/04/84/06/370048406.db2.gz HOPDPCBBJISYKW-CALCHBBNSA-N 2 1 299.418 2.363 20 30 CEEDMP C[NH+]1C[C@@H]2C[N@H+](Cc3cccc(OCCCC#N)c3)C[C@@H]2C1 ZINC000194536536 370048409 /nfs/dbraw/zinc/04/84/09/370048409.db2.gz HOPDPCBBJISYKW-CALCHBBNSA-N 2 1 299.418 2.363 20 30 CEEDMP N#Cc1ccc([C@@H](O)C[N@H+]2CCC[C@H](c3ncc[nH]3)C2)cc1 ZINC000268656512 372170702 /nfs/dbraw/zinc/17/07/02/372170702.db2.gz LBBJRLJSLSVJQH-HOTGVXAUSA-N 2 1 296.374 2.194 20 30 CEEDMP C[NH+]1CCC([NH2+][C@H]2CCCN(c3ccccc3C#N)C2)CC1 ZINC000362863378 372552147 /nfs/dbraw/zinc/55/21/47/372552147.db2.gz KYIHUGQOVVOLMF-KRWDZBQOSA-N 2 1 298.434 2.211 20 30 CEEDMP C#CCCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000280496143 375222279 /nfs/dbraw/zinc/22/22/79/375222279.db2.gz QLGXGYXJSGZIHH-HDICACEKSA-N 2 1 268.404 2.464 20 30 CEEDMP C#CCCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000280496143 375222286 /nfs/dbraw/zinc/22/22/86/375222286.db2.gz QLGXGYXJSGZIHH-HDICACEKSA-N 2 1 268.404 2.464 20 30 CEEDMP C#CCCC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000280496143 375222292 /nfs/dbraw/zinc/22/22/92/375222292.db2.gz QLGXGYXJSGZIHH-HDICACEKSA-N 2 1 268.404 2.464 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)Cc1ccccc1OC ZINC000294974506 378032495 /nfs/dbraw/zinc/03/24/95/378032495.db2.gz KCQGHCHNABKTEV-OAHLLOKOSA-N 2 1 274.408 2.171 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)Cc1ccccc1OC ZINC000294974506 378032500 /nfs/dbraw/zinc/03/25/00/378032500.db2.gz KCQGHCHNABKTEV-OAHLLOKOSA-N 2 1 274.408 2.171 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000294855958 378023696 /nfs/dbraw/zinc/02/36/96/378023696.db2.gz BRCUGDHTQBKQQT-HNNXBMFYSA-N 2 1 273.424 2.358 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000294855958 378023703 /nfs/dbraw/zinc/02/37/03/378023703.db2.gz BRCUGDHTQBKQQT-HNNXBMFYSA-N 2 1 273.424 2.358 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CSC[C@H]2C)CC1 ZINC000449126119 378197833 /nfs/dbraw/zinc/19/78/33/378197833.db2.gz UNFGGOKBNNECPW-OCCSQVGLSA-N 2 1 254.443 2.368 20 30 CEEDMP N#CCCN1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000370678060 260002381 /nfs/dbraw/zinc/00/23/81/260002381.db2.gz SQPKVSIROKBUMQ-IRXDYDNUSA-N 2 1 269.392 2.354 20 30 CEEDMP CCCNC(=[NH2+])NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000303866011 394480177 /nfs/dbraw/zinc/48/01/77/394480177.db2.gz CCRFQAGYGWUPFR-ZDUSSCGKSA-N 2 1 294.468 2.274 20 30 CEEDMP CC[N@@H+](C)Cc1cccc(C[NH+]=C(N(C)C)N(C)C)c1 ZINC000262011799 394611553 /nfs/dbraw/zinc/61/15/53/394611553.db2.gz UIVAIOHINRLGNW-UHFFFAOYSA-N 2 1 276.428 2.118 20 30 CEEDMP CN(C)C(=[NH+]C[C@H]1CCC[N@H+]1Cc1ccccc1)N(C)C ZINC000262528875 394619559 /nfs/dbraw/zinc/61/95/59/394619559.db2.gz MHXBGDHIPHCWGP-MRXNPFEDSA-N 2 1 288.439 2.130 20 30 CEEDMP CCC[N@@H+](CCN1CC[NH+](CC)CC1)[C@H]1CC[C@@H](C#N)C1 ZINC000339202073 394950752 /nfs/dbraw/zinc/95/07/52/394950752.db2.gz GQXFZPPSPUSVBI-SJORKVTESA-N 2 1 292.471 2.028 20 30 CEEDMP C[C@H](CNC(=[NH2+])Nc1ccccn1)[N@H+](C)Cc1ccccc1 ZINC000178573849 395169949 /nfs/dbraw/zinc/16/99/49/395169949.db2.gz JJIJNDDGPJONKS-CQSZACIVSA-N 2 1 297.406 2.329 20 30 CEEDMP C[C@H](CNC(=[NH2+])Nc1ccccn1)[N@@H+](C)Cc1ccccc1 ZINC000178573849 395169954 /nfs/dbraw/zinc/16/99/54/395169954.db2.gz JJIJNDDGPJONKS-CQSZACIVSA-N 2 1 297.406 2.329 20 30 CEEDMP C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)C[N@H+](C)CC ZINC000661114802 415101945 /nfs/dbraw/zinc/10/19/45/415101945.db2.gz MONALUYMTXKCHU-QLFBSQMISA-N 2 1 254.418 2.024 20 30 CEEDMP C=CC[C@]1(C(=O)NCC[N@@H+]2CCCC[C@@H]2CC)CCC[NH2+]1 ZINC000662735350 415948545 /nfs/dbraw/zinc/94/85/45/415948545.db2.gz NBTYQYRKVFEHJF-DOTOQJQBSA-N 2 1 293.455 2.065 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CO[C@H](C3CC3)C2)CC1 ZINC000667837473 419823912 /nfs/dbraw/zinc/82/39/12/419823912.db2.gz TZAKNBFKSHYVPW-CVEARBPZSA-N 2 1 264.413 2.184 20 30 CEEDMP [NH2+]=C(NC[C@@H]1CCCC[N@H+]1C1CC1)Nc1ccccc1 ZINC000277532186 263041742 /nfs/dbraw/zinc/04/17/42/263041742.db2.gz OZOQEDYJVSMRIG-HNNXBMFYSA-N 2 1 272.396 2.430 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCOC2(C)C)CC1 ZINC000340232671 263098766 /nfs/dbraw/zinc/09/87/66/263098766.db2.gz WFFJLRKVAVXSJP-AWEZNQCLSA-N 2 1 252.402 2.184 20 30 CEEDMP C[C@H]([NH2+]CCC[NH2+]C1CC1)c1ccc(C#N)c(F)c1 ZINC000423559808 270925139 /nfs/dbraw/zinc/92/51/39/270925139.db2.gz PEYWNMDQYLJIST-NSHDSACASA-N 2 1 261.344 2.490 20 30 CEEDMP CN(CCC#N)c1ccc(C[NH2+]CC2=CC[N@@H+](C)CC2)cc1 ZINC000271830988 328197930 /nfs/dbraw/zinc/19/79/30/328197930.db2.gz ORJUVQGZAJETBL-UHFFFAOYSA-N 2 1 298.434 2.388 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)[C@H]2CCOC2)CC1 ZINC000152960153 327305431 /nfs/dbraw/zinc/30/54/31/327305431.db2.gz YJTILOJIZLBWDG-KBPBESRZSA-N 2 1 252.402 2.042 20 30 CEEDMP C=CC[N@@H+](C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000377993099 329036527 /nfs/dbraw/zinc/03/65/27/329036527.db2.gz FJTPOHWYGNLLBA-UHFFFAOYSA-N 2 1 260.385 2.180 20 30 CEEDMP C=CC[N@H+](C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000377993099 329036528 /nfs/dbraw/zinc/03/65/28/329036528.db2.gz FJTPOHWYGNLLBA-UHFFFAOYSA-N 2 1 260.385 2.180 20 30 CEEDMP C=C(C)C[N@H+](C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000188318090 329366070 /nfs/dbraw/zinc/36/60/70/329366070.db2.gz OUKSIRQCZGEBPX-KRWDZBQOSA-N 2 1 274.408 2.131 20 30 CEEDMP C=CCC[C@@H](O)C[NH+]1CCC([NH2+]C2CCCC2)CC1 ZINC000128682392 329610719 /nfs/dbraw/zinc/61/07/19/329610719.db2.gz ZARPEBCVUJRMPP-MRXNPFEDSA-N 2 1 266.429 2.310 20 30 CEEDMP C=CC[NH+](CC=C)C[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000420328511 329762946 /nfs/dbraw/zinc/76/29/46/329762946.db2.gz ZPVWKFQCJGHOBJ-OAHLLOKOSA-N 2 1 260.381 2.412 20 30 CEEDMP C=C(C)CNC(=[NH2+])NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000262794036 330032108 /nfs/dbraw/zinc/03/21/08/330032108.db2.gz LIQLHZCEEXSNPU-HNNXBMFYSA-N 2 1 278.444 2.264 20 30 CEEDMP [NH2+]=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)NC1CCC1 ZINC000263063127 330041396 /nfs/dbraw/zinc/04/13/96/330041396.db2.gz FTHOCDGGOIJSMN-OAHLLOKOSA-N 2 1 278.444 2.240 20 30 CEEDMP [NH2+]=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)NC1CCC1 ZINC000263063125 330041404 /nfs/dbraw/zinc/04/14/04/330041404.db2.gz FTHOCDGGOIJSMN-HNNXBMFYSA-N 2 1 278.444 2.240 20 30 CEEDMP C=C(C)C[NH+]1CCC(N[C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000422972650 330164672 /nfs/dbraw/zinc/16/46/72/330164672.db2.gz ACOWISKDQGRJCP-GOEBONIOSA-N 2 1 265.445 2.134 20 30 CEEDMP C=CCCOCC[NH2+][C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000423008847 330165162 /nfs/dbraw/zinc/16/51/62/330165162.db2.gz BHGWHYCVALTULP-GDBMZVCRSA-N 2 1 262.397 2.127 20 30 CEEDMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CC1(CC#N)CC1 ZINC000423106306 330170647 /nfs/dbraw/zinc/17/06/47/330170647.db2.gz ZOWUEQNZISKUIF-DZGCQCFKSA-N 2 1 257.381 2.228 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](c1cccnc1)C(C)C ZINC000491070893 332146354 /nfs/dbraw/zinc/14/63/54/332146354.db2.gz GJMSMWDJYKOENA-MRXNPFEDSA-N 2 1 259.397 2.323 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](c1cccnc1)C(C)C ZINC000491070893 332146355 /nfs/dbraw/zinc/14/63/55/332146355.db2.gz GJMSMWDJYKOENA-MRXNPFEDSA-N 2 1 259.397 2.323 20 30 CEEDMP C#CC[N@@H+](C)CCCN[C@@H]1CC[NH+](C)[C@H](c2ccccc2)C1 ZINC000491164658 332159231 /nfs/dbraw/zinc/15/92/31/332159231.db2.gz DHIFYVHZHDINLV-MOPGFXCFSA-N 2 1 299.462 2.367 20 30 CEEDMP C#CC[NH+](C)CCCN[C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000491164658 332159232 /nfs/dbraw/zinc/15/92/32/332159232.db2.gz DHIFYVHZHDINLV-MOPGFXCFSA-N 2 1 299.462 2.367 20 30 CEEDMP C#CC[NH+](C)CCCN[C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000491164658 332159233 /nfs/dbraw/zinc/15/92/33/332159233.db2.gz DHIFYVHZHDINLV-MOPGFXCFSA-N 2 1 299.462 2.367 20 30 CEEDMP C=CCCCCC[N@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000740426661 574954917 /nfs/dbraw/zinc/95/49/17/574954917.db2.gz DFBKINUNWIUMBP-OAHLLOKOSA-N 2 1 254.418 2.121 20 30 CEEDMP C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001024366097 625533555 /nfs/dbraw/zinc/53/35/55/625533555.db2.gz NNOKAPXZEZRMMI-HOTGVXAUSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001024366097 625533565 /nfs/dbraw/zinc/53/35/65/625533565.db2.gz NNOKAPXZEZRMMI-HOTGVXAUSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001024436226 625553570 /nfs/dbraw/zinc/55/35/70/625553570.db2.gz AJFARSRIEDJJTI-CVEARBPZSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001024436226 625553577 /nfs/dbraw/zinc/55/35/77/625553577.db2.gz AJFARSRIEDJJTI-CVEARBPZSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001024436226 625553583 /nfs/dbraw/zinc/55/35/83/625553583.db2.gz AJFARSRIEDJJTI-CVEARBPZSA-N 2 1 293.455 2.016 20 30 CEEDMP C[NH+]1CCC(C[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)CC1 ZINC000892244154 624450565 /nfs/dbraw/zinc/45/05/65/624450565.db2.gz HGPVKYVFBWYQFN-GOSISDBHSA-N 2 1 299.418 2.273 20 30 CEEDMP C[NH+]1CCC(C[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)CC1 ZINC000892244154 624450568 /nfs/dbraw/zinc/45/05/68/624450568.db2.gz HGPVKYVFBWYQFN-GOSISDBHSA-N 2 1 299.418 2.273 20 30 CEEDMP C=CC[C@H]1CC[N@@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000934460506 624507959 /nfs/dbraw/zinc/50/79/59/624507959.db2.gz JOWYVWGXRWPBDZ-INIZCTEOSA-N 2 1 265.445 2.053 20 30 CEEDMP C=CC[NH+]1CCC([NH2+]C[C@@H]2C[C@@]2(C)Br)CC1 ZINC000892881473 627828493 /nfs/dbraw/zinc/82/84/93/627828493.db2.gz WYIJAZWKZFTCRN-WCQYABFASA-N 2 1 287.245 2.400 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000328195506 627867418 /nfs/dbraw/zinc/86/74/18/627867418.db2.gz RFYFLMFTOXFJCT-MRXNPFEDSA-N 2 1 276.811 2.352 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000328195506 627867421 /nfs/dbraw/zinc/86/74/21/627867421.db2.gz RFYFLMFTOXFJCT-MRXNPFEDSA-N 2 1 276.811 2.352 20 30 CEEDMP C=CC[NH2+]C1CCC(NC(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001026503208 628340379 /nfs/dbraw/zinc/34/03/79/628340379.db2.gz NUARGSJVIREORO-UYSNPLJNSA-N 2 1 293.455 2.064 20 30 CEEDMP CC[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)N1CCC(CC)(CC)C1 ZINC000262012676 629436801 /nfs/dbraw/zinc/43/68/01/629436801.db2.gz XACVZLORWGABBF-HNNXBMFYSA-N 2 1 294.487 2.416 20 30 CEEDMP C[C@@H]1CCCC[N@H+]1CCCCNC(=[NH2+])N(C)C1CC1 ZINC000305821242 631120150 /nfs/dbraw/zinc/12/01/50/631120150.db2.gz OXAMHHNQNDJVID-CYBMUJFWSA-N 2 1 266.433 2.050 20 30 CEEDMP CN(C)c1ccc(C#N)cc1CN1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000897620722 631832527 /nfs/dbraw/zinc/83/25/27/631832527.db2.gz XHFAYJSZVXYWIF-FUHWJXTLSA-N 2 1 298.434 2.008 20 30 CEEDMP C[C@@H]([NH2+]CC1([NH3+])CCC1)c1ccc(OCC#N)cc1 ZINC000817964379 633806805 /nfs/dbraw/zinc/80/68/05/633806805.db2.gz AFDUKEFBGUSCLJ-GFCCVEGCSA-N 2 1 259.353 2.121 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](O)c2cccc(F)c2)CC1 ZINC000819024480 634043515 /nfs/dbraw/zinc/04/35/15/634043515.db2.gz QYOJWCBPQIFZJO-KRWDZBQOSA-N 2 1 292.398 2.489 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1cccc(-n2ccnc2)c1 ZINC000902999329 634930801 /nfs/dbraw/zinc/93/08/01/634930801.db2.gz AYWAEXHDINVGPW-MRXNPFEDSA-N 2 1 296.418 2.478 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1cccc(-n2ccnc2)c1 ZINC000902999329 634930805 /nfs/dbraw/zinc/93/08/05/634930805.db2.gz AYWAEXHDINVGPW-MRXNPFEDSA-N 2 1 296.418 2.478 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2OC)CC1 ZINC000903093476 634975147 /nfs/dbraw/zinc/97/51/47/634975147.db2.gz ROGIELSJHVNUNC-CABCVRRESA-N 2 1 252.402 2.184 20 30 CEEDMP C#CC[C@H]1CCC[N@H+](CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000829810359 636935820 /nfs/dbraw/zinc/93/58/20/636935820.db2.gz OQYVWBUHJMCPFN-SFHVURJKSA-N 2 1 291.483 2.138 20 30 CEEDMP C[C@@H](CNC(NCc1ccccc1)=[NH+]C(C)(C)C)[NH+](C)C ZINC000912499659 638709704 /nfs/dbraw/zinc/70/97/04/638709704.db2.gz XPWSUWAXRBRBMA-AWEZNQCLSA-N 2 1 290.455 2.470 20 30 CEEDMP CCC[N@H+]1CC[C@@H](CNC(NC(C)(C)C)=[NH+]C(C)C)C1 ZINC000912509338 638713868 /nfs/dbraw/zinc/71/38/68/638713868.db2.gz COUCVZOWRUIPKB-AWEZNQCLSA-N 2 1 282.476 2.460 20 30 CEEDMP C=CC[N@@H+]1CCC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@@H]1C ZINC000993542349 640656049 /nfs/dbraw/zinc/65/60/49/640656049.db2.gz ZKYYDWUZBIZMIQ-XJKSGUPXSA-N 2 1 298.390 2.103 20 30 CEEDMP C#C[C@@H]1CCC[NH+](C/C=C/C[N@@H+]2CCC[C@@H](C#C)C2)C1 ZINC000847020685 641525490 /nfs/dbraw/zinc/52/54/90/641525490.db2.gz CYGFUOUZQLJYNX-PJHKVULZSA-N 2 1 270.420 2.233 20 30 CEEDMP C#C[C@H]1CCC[N@H+](C[C@H](C)C[NH+]2CCC[C@@H](C#C)C2)C1 ZINC000847022010 641527105 /nfs/dbraw/zinc/52/71/05/641527105.db2.gz RFQQEZMFPIMQGS-NNZMDNLPSA-N 2 1 272.436 2.313 20 30 CEEDMP C#C[C@H]1CCC[NH+](C[C@H](C)C[N@@H+]2CCC[C@@H](C#C)C2)C1 ZINC000847022010 641527110 /nfs/dbraw/zinc/52/71/10/641527110.db2.gz RFQQEZMFPIMQGS-NNZMDNLPSA-N 2 1 272.436 2.313 20 30 CEEDMP C=C(C)C[NH2+]C1CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC000996643712 642123836 /nfs/dbraw/zinc/12/38/36/642123836.db2.gz FLCBDEUXCDDPSA-MRXNPFEDSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CC[NH2+]C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000997065076 642178556 /nfs/dbraw/zinc/17/85/56/642178556.db2.gz YJKLJZBIDPRZNS-MRXNPFEDSA-N 2 1 293.455 2.016 20 30 CEEDMP Cc1[nH+]ccn1CCC[NH+]=C(NCc1ccccc1)N(C)C ZINC000848987349 642209155 /nfs/dbraw/zinc/20/91/55/642209155.db2.gz RJAPKQHCCDZARJ-UHFFFAOYSA-N 2 1 299.422 2.289 20 30 CEEDMP CNC(NCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)=[NH+]C ZINC000848989568 642211181 /nfs/dbraw/zinc/21/11/81/642211181.db2.gz XTEAISOFHVMQPJ-GOEBONIOSA-N 2 1 288.439 2.082 20 30 CEEDMP C[NH+]=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)NC1CC1 ZINC000849025855 642239340 /nfs/dbraw/zinc/23/93/40/642239340.db2.gz FZHHYMNRBVSQSP-OAHLLOKOSA-N 2 1 278.444 2.111 20 30 CEEDMP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC000999142569 642461640 /nfs/dbraw/zinc/46/16/40/642461640.db2.gz BHBYHLQAUQHGAR-CVEARBPZSA-N 2 1 293.455 2.016 20 30 CEEDMP C[N@@H+]1CC[C@]2(C1)CCC[NH+](C[C@H](O)c1ccc(C#N)cc1)C2 ZINC000852109339 643311251 /nfs/dbraw/zinc/31/12/51/643311251.db2.gz ZPCOCHGVKXMZAM-ROUUACIJSA-N 2 1 299.418 2.009 20 30 CEEDMP C[N@H+]1CC[C@]2(C1)CCC[NH+](C[C@H](O)c1ccc(C#N)cc1)C2 ZINC000852109339 643311255 /nfs/dbraw/zinc/31/12/55/643311255.db2.gz ZPCOCHGVKXMZAM-ROUUACIJSA-N 2 1 299.418 2.009 20 30 CEEDMP C[NH+]1CC[C@]2(C1)CCC[N@H+](C[C@H](O)c1ccc(C#N)cc1)C2 ZINC000852109339 643311264 /nfs/dbraw/zinc/31/12/64/643311264.db2.gz ZPCOCHGVKXMZAM-ROUUACIJSA-N 2 1 299.418 2.009 20 30 CEEDMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](C[C@H](O)c1ccc(C#N)cc1)C2 ZINC000852109339 643311272 /nfs/dbraw/zinc/31/12/72/643311272.db2.gz ZPCOCHGVKXMZAM-ROUUACIJSA-N 2 1 299.418 2.009 20 30 CEEDMP C[C@H]1C[N@@H+](CCc2ccc(C#N)cc2)CC[C@H]1C[NH3+] ZINC000923494043 643738122 /nfs/dbraw/zinc/73/81/22/643738122.db2.gz KEYVPOZJJFVHGQ-BBRMVZONSA-N 2 1 257.381 2.017 20 30 CEEDMP C=CC[C@@H](C)[N@H+]1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC000878158773 651018057 /nfs/dbraw/zinc/01/80/57/651018057.db2.gz OEFQZKLRNVFIGE-HUUCEWRRSA-N 2 1 254.418 2.384 20 30 CEEDMP C[N@H+]1CC[C@@H]([NH2+][C@@H]2Cc3ccc(C#N)cc3C2)CC1(C)C ZINC000865847553 647491327 /nfs/dbraw/zinc/49/13/27/647491327.db2.gz NAFZDAIPSIHJJD-IAGOWNOFSA-N 2 1 283.419 2.488 20 30 CEEDMP C[N@H+]1CC[C@H]([NH2+][C@@H]2Cc3ccc(C#N)cc3C2)[C@@H]2CCC[C@@H]21 ZINC000866617583 647844090 /nfs/dbraw/zinc/84/40/90/647844090.db2.gz LTTKQRLGZDCDJL-XWSJACJDSA-N 2 1 295.430 2.488 20 30 CEEDMP C[N@@H+]1CC[C@@H]2C[NH+](CCCOc3ccc(C#N)cc3)CC[C@@H]21 ZINC000879572558 651324210 /nfs/dbraw/zinc/32/42/10/651324210.db2.gz YXEFIWACUJCUIU-AEFFLSMTSA-N 2 1 299.418 2.353 20 30 CEEDMP C[N@H+]1CC[C@@H]2C[NH+](CCCOc3ccc(C#N)cc3)CC[C@@H]21 ZINC000879572558 651324211 /nfs/dbraw/zinc/32/42/11/651324211.db2.gz YXEFIWACUJCUIU-AEFFLSMTSA-N 2 1 299.418 2.353 20 30 CEEDMP C[NH+]1CC[C@@H]2C[N@H+](CCCOc3ccc(C#N)cc3)CC[C@@H]21 ZINC000879572558 651324212 /nfs/dbraw/zinc/32/42/12/651324212.db2.gz YXEFIWACUJCUIU-AEFFLSMTSA-N 2 1 299.418 2.353 20 30 CEEDMP C[NH+]1CC[C@@H]2C[N@@H+](CCCOc3ccc(C#N)cc3)CC[C@@H]21 ZINC000879572558 651324213 /nfs/dbraw/zinc/32/42/13/651324213.db2.gz YXEFIWACUJCUIU-AEFFLSMTSA-N 2 1 299.418 2.353 20 30 CEEDMP C=CCOCC[N@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC000879703563 651341666 /nfs/dbraw/zinc/34/16/66/651341666.db2.gz OLVQVOPYIMOVKO-UHFFFAOYSA-N 2 1 268.445 2.489 20 30 CEEDMP C=CCC[C@H]([NH2+]CCc1c[nH+]cn1C)[C@H]1CCCO1 ZINC000883217115 652402941 /nfs/dbraw/zinc/40/29/41/652402941.db2.gz BTOANDZPUUXSNR-LSDHHAIUSA-N 2 1 263.385 2.066 20 30 CEEDMP C=CCCC[NH2+][C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(C)C ZINC001271839544 806112686 /nfs/dbraw/zinc/11/26/86/806112686.db2.gz SYGSLQMXHUSEEJ-BZUAXINKSA-N 2 1 295.471 2.023 20 30 CEEDMP C=C(C)CC[NH2+][C@@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)C(C)C ZINC001271902968 806135431 /nfs/dbraw/zinc/13/54/31/806135431.db2.gz TZIWEOQJGFGHHE-HOTGVXAUSA-N 2 1 295.471 2.025 20 30 CEEDMP C=CCCCC[N@@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001209202381 802482975 /nfs/dbraw/zinc/48/29/75/802482975.db2.gz BVRKTUREEHKHGQ-CVEARBPZSA-N 2 1 265.445 2.053 20 30 CEEDMP C=CCCC[N@H+](CC)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001266400175 802530135 /nfs/dbraw/zinc/53/01/35/802530135.db2.gz ACEYVRILTBPHKV-UHFFFAOYSA-N 2 1 293.455 2.019 20 30 CEEDMP C=CCCC[NH2+]CC1(CCNC(=O)CC[N@H+](C)CC)CC1 ZINC001167639999 803229219 /nfs/dbraw/zinc/22/92/19/803229219.db2.gz KFSFAJVAAGSTJD-UHFFFAOYSA-N 2 1 295.471 2.171 20 30 CEEDMP C=CCC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001267482670 803505017 /nfs/dbraw/zinc/50/50/17/803505017.db2.gz URSNYIQAFBQRMY-CVEARBPZSA-N 2 1 295.471 2.216 20 30 CEEDMP C=CCCC[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001267627485 803631042 /nfs/dbraw/zinc/63/10/42/803631042.db2.gz DUKOTBMSDLADMN-JKSUJKDBSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCCC[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001267627485 803631045 /nfs/dbraw/zinc/63/10/45/803631045.db2.gz DUKOTBMSDLADMN-JKSUJKDBSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001267627485 803631052 /nfs/dbraw/zinc/63/10/52/803631052.db2.gz DUKOTBMSDLADMN-JKSUJKDBSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001267627485 803631056 /nfs/dbraw/zinc/63/10/56/803631056.db2.gz DUKOTBMSDLADMN-JKSUJKDBSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)C[N@H+](C)CC1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001267758910 803713662 /nfs/dbraw/zinc/71/36/62/803713662.db2.gz SILACGKKBMLGMU-MRXNPFEDSA-N 2 1 295.471 2.073 20 30 CEEDMP C=CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001027983640 804380956 /nfs/dbraw/zinc/38/09/56/804380956.db2.gz BUDCLTGIDKYVBV-CQSZACIVSA-N 2 1 298.390 2.023 20 30 CEEDMP C=C(C)C[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1CC)C(C)C ZINC001268228820 804556089 /nfs/dbraw/zinc/55/60/89/804556089.db2.gz XNLZLJZXROXRIA-CVEARBPZSA-N 2 1 295.471 2.167 20 30 CEEDMP C=CCC[C@H](C)[N@@H+](C)CCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001268239058 804566266 /nfs/dbraw/zinc/56/62/66/804566266.db2.gz OWEGPICSOJMQRL-HNNXBMFYSA-N 2 1 295.471 2.216 20 30 CEEDMP C=C(C)CC[NH+]1CC(NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001030442178 807189960 /nfs/dbraw/zinc/18/99/60/807189960.db2.gz OKONKWHGOZNBKS-INIZCTEOSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CCC[NH2+]CCCNC(=O)C[N@H+](C)CCCCCC ZINC001168614194 808722390 /nfs/dbraw/zinc/72/23/90/808722390.db2.gz DNHBVBQBGUYVOD-UHFFFAOYSA-N 2 1 283.460 2.171 20 30 CEEDMP C=C(C)CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001034129885 809527020 /nfs/dbraw/zinc/52/70/20/809527020.db2.gz FFZDCNHPZFRJAL-HZPDHXFCSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)CC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001034129885 809527024 /nfs/dbraw/zinc/52/70/24/809527024.db2.gz FFZDCNHPZFRJAL-HZPDHXFCSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001034129885 809527030 /nfs/dbraw/zinc/52/70/30/809527030.db2.gz FFZDCNHPZFRJAL-HZPDHXFCSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CC[N@@H+]1CCCC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001034339055 809581403 /nfs/dbraw/zinc/58/14/03/809581403.db2.gz BBBAZDOZXAUTSH-HNNXBMFYSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001015791100 810355280 /nfs/dbraw/zinc/35/52/80/810355280.db2.gz ADVQSPZRBBTUDT-JKSUJKDBSA-N 2 1 293.455 2.016 20 30 CEEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001015791100 810355285 /nfs/dbraw/zinc/35/52/85/810355285.db2.gz ADVQSPZRBBTUDT-JKSUJKDBSA-N 2 1 293.455 2.016 20 30 CEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001015791100 810355291 /nfs/dbraw/zinc/35/52/91/810355291.db2.gz ADVQSPZRBBTUDT-JKSUJKDBSA-N 2 1 293.455 2.016 20 30 CEEDMP C[C@H](Cc1ccc(C#N)cc1)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC001172295410 815386886 /nfs/dbraw/zinc/38/68/86/815386886.db2.gz RFCOHPBMJUNODD-RHSMWYFYSA-N 2 1 271.408 2.421 20 30 CEEDMP C=CCCCCC[NH+]1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001113007092 812141607 /nfs/dbraw/zinc/14/16/07/812141607.db2.gz LSNORPGWHWKUMI-MRXNPFEDSA-N 2 1 295.471 2.217 20 30 CEEDMP CCCCCCC[NH+]1CCN(C(=O)C[N@H+](C)CCC)CC1 ZINC001113570157 812279886 /nfs/dbraw/zinc/27/98/86/812279886.db2.gz LBQVJXVGMKQQKK-UHFFFAOYSA-N 2 1 297.487 2.443 20 30 CEEDMP CCCCCCC[NH+]1CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001113570157 812279893 /nfs/dbraw/zinc/27/98/93/812279893.db2.gz LBQVJXVGMKQQKK-UHFFFAOYSA-N 2 1 297.487 2.443 20 30 CEEDMP C=C(C)C[NH+]1CCC[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001052712361 812450610 /nfs/dbraw/zinc/45/06/10/812450610.db2.gz HLXAJLJQAZVVSE-CVEARBPZSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)C[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC001052712361 812450613 /nfs/dbraw/zinc/45/06/13/812450613.db2.gz HLXAJLJQAZVVSE-CVEARBPZSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC001052712361 812450619 /nfs/dbraw/zinc/45/06/19/812450619.db2.gz HLXAJLJQAZVVSE-CVEARBPZSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)C[N@@H+]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)CC[C@@H]1C ZINC001132106362 812787948 /nfs/dbraw/zinc/78/79/48/812787948.db2.gz TYRNYIFSRLZAJV-LSDHHAIUSA-N 2 1 293.455 2.016 20 30 CEEDMP C=C/C(=[NH+]\COC)N(CC[NH3+])C12CC3CC(CC(C3)C1)C2 ZINC001170624225 812892726 /nfs/dbraw/zinc/89/27/26/812892726.db2.gz DUWVOEDYCRNTBN-KNTRCKAVSA-N 2 1 291.439 2.404 20 30 CEEDMP C=CCC[NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001132795491 812947953 /nfs/dbraw/zinc/94/79/53/812947953.db2.gz SFYMRICLCMMNGG-MRXNPFEDSA-N 2 1 293.455 2.065 20 30 CEEDMP C=CCC[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001134762994 813322137 /nfs/dbraw/zinc/32/21/37/813322137.db2.gz JWEUXNDZHALQTC-HOTGVXAUSA-N 2 1 295.471 2.310 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000394247761 813367992 /nfs/dbraw/zinc/36/79/92/813367992.db2.gz YRRXQWLSYLCSFD-ZDUSSCGKSA-N 2 1 276.380 2.007 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000394247761 813367999 /nfs/dbraw/zinc/36/79/99/813367999.db2.gz YRRXQWLSYLCSFD-ZDUSSCGKSA-N 2 1 276.380 2.007 20 30 CEEDMP C=CCC[C@H](C)[NH2+]CCNC(=O)CCCn1cc[nH+]c1C ZINC001135307153 813403423 /nfs/dbraw/zinc/40/34/23/813403423.db2.gz QBDOZGJLPKUPMJ-AWEZNQCLSA-N 2 1 292.427 2.032 20 30 CEEDMP C#Cc1ccc(C[NH+]2C[C@@H]3C[NH+](CCC)C[C@H]3C2)cc1 ZINC001144578757 814115381 /nfs/dbraw/zinc/11/53/81/814115381.db2.gz NEBGDRQSVUHJNU-ROUUACIJSA-N 2 1 268.404 2.442 20 30 CEEDMP CN1CCC[C@@H]2C[N@H+](C3CCC(CC#N)CC3)C[C@@H]21 ZINC001173336640 815680852 /nfs/dbraw/zinc/68/08/52/815680852.db2.gz HGCNYAZMOSCIMB-KNIAUWFNSA-N 2 1 261.413 2.485 20 30 CEEDMP N#CCC1CCC([N@H+](C2COC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001173334343 815680895 /nfs/dbraw/zinc/68/08/95/815680895.db2.gz QLLQKOLPWWPLET-DHAXNPMCSA-N 2 1 291.439 2.430 20 30 CEEDMP CCc1cc(C#N)ccc1C[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206210392 815778146 /nfs/dbraw/zinc/77/81/46/815778146.db2.gz KGWHQCRPJWGZFA-HZPDHXFCSA-N 2 1 275.371 2.382 20 30 CEEDMP CCc1cc(C[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)ccc1C#N ZINC001206212575 815797164 /nfs/dbraw/zinc/79/71/64/815797164.db2.gz SAMVCQJENNUDQM-CVEARBPZSA-N 2 1 275.371 2.382 20 30 CEEDMP CCc1cc(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)ccc1C#N ZINC001206212575 815797169 /nfs/dbraw/zinc/79/71/69/815797169.db2.gz SAMVCQJENNUDQM-CVEARBPZSA-N 2 1 275.371 2.382 20 30 CEEDMP C=CCC[NH2+]CCCC[C@H](C)NC(=O)C[N@H+](C)CCC ZINC001176283924 816377367 /nfs/dbraw/zinc/37/73/67/816377367.db2.gz AXXMCIVMSXVLFD-HNNXBMFYSA-N 2 1 283.460 2.169 20 30 CEEDMP CCCCCCC[NH2+]CCCNC(=O)C[N@@H+](C)C(C)C ZINC001176986653 816502628 /nfs/dbraw/zinc/50/26/28/816502628.db2.gz RUSCOCGBCGJXAQ-UHFFFAOYSA-N 2 1 285.476 2.393 20 30 CEEDMP C=C(C)CC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001178045783 816663783 /nfs/dbraw/zinc/66/37/83/816663783.db2.gz VFIPUJAOVLCYJG-INIZCTEOSA-N 2 1 295.471 2.313 20 30 CEEDMP C=CCC[C@@H](C)[NH2+]CCCNC(=O)C(C)(C)[N@H+](C)CC ZINC001161226575 816816240 /nfs/dbraw/zinc/81/62/40/816816240.db2.gz JLPYVACQAWZLOI-CQSZACIVSA-N 2 1 283.460 2.167 20 30 CEEDMP C=CCC[NH2+]CCCCCCNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001179591288 816880687 /nfs/dbraw/zinc/88/06/87/816880687.db2.gz SOZJBIGNCRMVMV-JKSUJKDBSA-N 2 1 295.471 2.026 20 30 CEEDMP N#Cc1ccc(CC[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000601334986 346823711 /nfs/dbraw/zinc/82/37/11/346823711.db2.gz PSKCJFDHDYVXOE-SJORKVTESA-N 2 1 269.392 2.175 20 30 CEEDMP CC[NH+](CC)CCOCC[NH2+]Cc1cccc(F)c1C#N ZINC000602014834 346959475 /nfs/dbraw/zinc/95/94/75/346959475.db2.gz HJPOJRHPZCGBMO-UHFFFAOYSA-N 2 1 293.386 2.145 20 30 CEEDMP CC[C@H]1C[N@@H+](CCc2ccc(C#N)cc2)CC[C@H]1[NH3+] ZINC000595895928 345909401 /nfs/dbraw/zinc/90/94/01/345909401.db2.gz WKVJTUZRZJDCQO-JKSUJKDBSA-N 2 1 257.381 2.160 20 30 CEEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1cccc(F)c1C#N ZINC000596364426 346008289 /nfs/dbraw/zinc/00/82/89/346008289.db2.gz NWWDHMXOMYZYRF-ZDUSSCGKSA-N 2 1 292.402 2.381 20 30 CEEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1cccc(F)c1C#N ZINC000596364426 346008290 /nfs/dbraw/zinc/00/82/90/346008290.db2.gz NWWDHMXOMYZYRF-ZDUSSCGKSA-N 2 1 292.402 2.381 20 30 CEEDMP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC000598994753 346443239 /nfs/dbraw/zinc/44/32/39/346443239.db2.gz QOEVGUHEIPMQGG-LBPRGKRZSA-N 2 1 263.410 2.441 20 30 CEEDMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC000598994753 346443241 /nfs/dbraw/zinc/44/32/41/346443241.db2.gz QOEVGUHEIPMQGG-LBPRGKRZSA-N 2 1 263.410 2.441 20 30 CEEDMP N#CCc1cccc2c1CC[N@@H+](CC1CC[NH2+]CC1)C2 ZINC000600703131 346674437 /nfs/dbraw/zinc/67/44/37/346674437.db2.gz LEJQTYQNHNLDPA-UHFFFAOYSA-N 2 1 269.392 2.110 20 30 CEEDMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CC2(CC#N)CC2)C1 ZINC000602786851 347198325 /nfs/dbraw/zinc/19/83/25/347198325.db2.gz ZAODJSCOKFARTH-OAHLLOKOSA-N 2 1 261.413 2.344 20 30 CEEDMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CC2(CC#N)CC2)C1 ZINC000602786851 347198327 /nfs/dbraw/zinc/19/83/27/347198327.db2.gz ZAODJSCOKFARTH-OAHLLOKOSA-N 2 1 261.413 2.344 20 30 CEEDMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CC2(CC#N)CC2)C1 ZINC000602786851 347198329 /nfs/dbraw/zinc/19/83/29/347198329.db2.gz ZAODJSCOKFARTH-OAHLLOKOSA-N 2 1 261.413 2.344 20 30 CEEDMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CC2(CC#N)CC2)C1 ZINC000602786851 347198330 /nfs/dbraw/zinc/19/83/30/347198330.db2.gz ZAODJSCOKFARTH-OAHLLOKOSA-N 2 1 261.413 2.344 20 30 CEEDMP CC(C)[N@H+](C)CC1CC[NH+](C[C@H](C#N)CCC#N)CC1 ZINC000609574992 347643891 /nfs/dbraw/zinc/64/38/91/347643891.db2.gz PXOUOWGFDYMZEZ-INIZCTEOSA-N 2 1 276.428 2.482 20 30 CEEDMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@H](C#N)CCC#N)CC1 ZINC000609574992 347643894 /nfs/dbraw/zinc/64/38/94/347643894.db2.gz PXOUOWGFDYMZEZ-INIZCTEOSA-N 2 1 276.428 2.482 20 30 CEEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC000106034063 186099762 /nfs/dbraw/zinc/09/97/62/186099762.db2.gz SGLHLMGXGCRDFX-MRXNPFEDSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCCC[N@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629560533 351414868 /nfs/dbraw/zinc/41/48/68/351414868.db2.gz FOGJBVBLNYRCDX-MNOVXSKESA-N 2 1 250.308 2.412 20 30 CEEDMP C[C@@H]1C[C@@H]([NH+](C)CCOc2ccc(C#N)cc2)CC[N@@H+]1C ZINC000123062515 187069380 /nfs/dbraw/zinc/06/93/80/187069380.db2.gz IKNGDGDWVSTCDZ-ZBFHGGJFSA-N 2 1 287.407 2.352 20 30 CEEDMP C[C@@H]1C[C@@H]([NH+](C)CCOc2ccc(C#N)cc2)CC[N@H+]1C ZINC000123062515 187069381 /nfs/dbraw/zinc/06/93/81/187069381.db2.gz IKNGDGDWVSTCDZ-ZBFHGGJFSA-N 2 1 287.407 2.352 20 30 CEEDMP C[C@@H]1C[C@@H]([N@H+](C)CCOc2ccc(C#N)cc2)CC[NH+]1C ZINC000123062515 187069382 /nfs/dbraw/zinc/06/93/82/187069382.db2.gz IKNGDGDWVSTCDZ-ZBFHGGJFSA-N 2 1 287.407 2.352 20 30 CEEDMP C[C@@H]1C[C@@H]([N@@H+](C)CCOc2ccc(C#N)cc2)CC[NH+]1C ZINC000123062515 187069383 /nfs/dbraw/zinc/06/93/83/187069383.db2.gz IKNGDGDWVSTCDZ-ZBFHGGJFSA-N 2 1 287.407 2.352 20 30 CEEDMP N#CCSCCC[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000074981832 363429628 /nfs/dbraw/zinc/42/96/28/363429628.db2.gz LVTCDMCOZIHACA-UHFFFAOYSA-N 2 1 267.442 2.193 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)C2CC[NH+](C)CC2)CC1 ZINC000153051964 540120060 /nfs/dbraw/zinc/12/00/60/540120060.db2.gz MHBKKGFPEJJEBZ-HNNXBMFYSA-N 3 1 279.472 2.347 20 30 CEEDMP N#Cc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)s1 ZINC000135678938 366466348 /nfs/dbraw/zinc/46/63/48/366466348.db2.gz ACHNGPZZMCXVKP-NSHDSACASA-N 2 1 261.394 2.194 20 30 CEEDMP N#Cc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)s1 ZINC000135678938 366466354 /nfs/dbraw/zinc/46/63/54/366466354.db2.gz ACHNGPZZMCXVKP-NSHDSACASA-N 2 1 261.394 2.194 20 30 CEEDMP Cn1c[nH+]cc1CC[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000298228172 200366691 /nfs/dbraw/zinc/36/66/91/200366691.db2.gz BAZIYFHVITYDGY-UHFFFAOYSA-N 2 1 266.348 2.113 20 30 CEEDMP C[N@@H+](Cc1ccc(C#N)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000118843787 365185373 /nfs/dbraw/zinc/18/53/73/365185373.db2.gz CCMLHUIQQXDNIE-MRXNPFEDSA-N 2 1 257.381 2.332 20 30 CEEDMP C[N@H+](Cc1ccc(C#N)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000118843787 365185374 /nfs/dbraw/zinc/18/53/74/365185374.db2.gz CCMLHUIQQXDNIE-MRXNPFEDSA-N 2 1 257.381 2.332 20 30 CEEDMP C[NH+](Cc1ccc(C#N)cc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000118843787 365185376 /nfs/dbraw/zinc/18/53/76/365185376.db2.gz CCMLHUIQQXDNIE-MRXNPFEDSA-N 2 1 257.381 2.332 20 30 CEEDMP C[NH+](Cc1ccc(C#N)cc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118843787 365185377 /nfs/dbraw/zinc/18/53/77/365185377.db2.gz CCMLHUIQQXDNIE-MRXNPFEDSA-N 2 1 257.381 2.332 20 30 CEEDMP C[C@@H]([NH2+]C1CCN(C)CC1)c1ccc(C#N)cc1F ZINC000335982165 365250792 /nfs/dbraw/zinc/25/07/92/365250792.db2.gz RIIWKOKCPLQEPZ-LLVKDONJSA-N 2 1 261.344 2.442 20 30 CEEDMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=[NH2+])N(C)C ZINC000170911261 367446313 /nfs/dbraw/zinc/44/63/13/367446313.db2.gz ZUXYWMLJIFNMST-AWEZNQCLSA-N 2 1 288.439 2.437 20 30 CEEDMP C[N@@H+](CCCNC(=[NH2+])Nc1ccccn1)C1CCCCC1 ZINC000170913395 367446376 /nfs/dbraw/zinc/44/63/76/367446376.db2.gz LWYLWVXYWOXVFR-UHFFFAOYSA-N 2 1 289.427 2.463 20 30 CEEDMP N#Cc1cccc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000335538866 212235395 /nfs/dbraw/zinc/23/53/95/212235395.db2.gz NXLUNJAARBWFHH-INIZCTEOSA-N 2 1 255.365 2.134 20 30 CEEDMP N#Cc1cccc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000335538866 212235396 /nfs/dbraw/zinc/23/53/96/212235396.db2.gz NXLUNJAARBWFHH-INIZCTEOSA-N 2 1 255.365 2.134 20 30 CEEDMP CC(C)[N@H+](C)CCC[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000343155621 367687968 /nfs/dbraw/zinc/68/79/68/367687968.db2.gz VMPSPHOQVFSESR-UHFFFAOYSA-N 2 1 285.395 2.026 20 30 CEEDMP CC(C)[N@@H+](C)CCC[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000343155621 367687975 /nfs/dbraw/zinc/68/79/75/367687975.db2.gz VMPSPHOQVFSESR-UHFFFAOYSA-N 2 1 285.395 2.026 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+]C2CC(OCC)C2)CC1 ZINC000344161057 368112255 /nfs/dbraw/zinc/11/22/55/368112255.db2.gz FRXFAQGDZZRNNF-UHFFFAOYSA-N 2 1 252.402 2.184 20 30 CEEDMP C=CCOc1ccc(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc1 ZINC000346678714 368766351 /nfs/dbraw/zinc/76/63/51/368766351.db2.gz LSVHLNBSFYSPQJ-HIFRSBDPSA-N 2 1 260.381 2.421 20 30 CEEDMP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(C#N)cc3)CC[C@H]21 ZINC000227336059 370368254 /nfs/dbraw/zinc/36/82/54/370368254.db2.gz LFPKFRHZQFGNDE-DLBZAZTESA-N 2 1 269.392 2.474 20 30 CEEDMP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(C#N)cc3)CC[C@H]21 ZINC000227336059 370368258 /nfs/dbraw/zinc/36/82/58/370368258.db2.gz LFPKFRHZQFGNDE-DLBZAZTESA-N 2 1 269.392 2.474 20 30 CEEDMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(C#N)cc3)CC[C@H]21 ZINC000227336059 370368262 /nfs/dbraw/zinc/36/82/62/370368262.db2.gz LFPKFRHZQFGNDE-DLBZAZTESA-N 2 1 269.392 2.474 20 30 CEEDMP C=CC[NH+]1CCC([NH2+]C[C@@H](OC)C2CCCC2)CC1 ZINC000638524414 370590649 /nfs/dbraw/zinc/59/06/49/370590649.db2.gz NRSIRZWXSUSMLE-MRXNPFEDSA-N 2 1 266.429 2.432 20 30 CEEDMP C=C(CC)C[N@@H+]1CC[C@H](OCC[NH+](CC)CC)C1 ZINC000358501299 371093115 /nfs/dbraw/zinc/09/31/15/371093115.db2.gz SFBLYUBVTIANBH-HNNXBMFYSA-N 2 1 254.418 2.385 20 30 CEEDMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(C#N)n(C)c2)C[C@H]1C ZINC000361562110 371924191 /nfs/dbraw/zinc/92/41/91/371924191.db2.gz AKVIHGDDTODDGE-UKRRQHHQSA-N 2 1 274.412 2.201 20 30 CEEDMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(C#N)n(C)c2)C[C@H]1C ZINC000361562110 371924199 /nfs/dbraw/zinc/92/41/99/371924199.db2.gz AKVIHGDDTODDGE-UKRRQHHQSA-N 2 1 274.412 2.201 20 30 CEEDMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(C#N)n(C)c2)C[C@H]1C ZINC000361562110 371924206 /nfs/dbraw/zinc/92/42/06/371924206.db2.gz AKVIHGDDTODDGE-UKRRQHHQSA-N 2 1 274.412 2.201 20 30 CEEDMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(C#N)n(C)c2)C[C@H]1C ZINC000361562110 371924209 /nfs/dbraw/zinc/92/42/09/371924209.db2.gz AKVIHGDDTODDGE-UKRRQHHQSA-N 2 1 274.412 2.201 20 30 CEEDMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C#N)c(OC)c2)[C@@H](C)C1 ZINC000353627410 220201503 /nfs/dbraw/zinc/20/15/03/220201503.db2.gz WAFCDKHUOXEXPT-BBRMVZONSA-N 2 1 287.407 2.387 20 30 CEEDMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C#N)c(OC)c2)[C@@H](C)C1 ZINC000353627410 220201506 /nfs/dbraw/zinc/20/15/06/220201506.db2.gz WAFCDKHUOXEXPT-BBRMVZONSA-N 2 1 287.407 2.387 20 30 CEEDMP COc1cc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)ccc1C#N ZINC000353640467 220213008 /nfs/dbraw/zinc/21/30/08/220213008.db2.gz GXACKNSGXZSOCD-HEHGZKQESA-N 2 1 287.407 2.385 20 30 CEEDMP COc1cc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)ccc1C#N ZINC000353640467 220213010 /nfs/dbraw/zinc/21/30/10/220213010.db2.gz GXACKNSGXZSOCD-HEHGZKQESA-N 2 1 287.407 2.385 20 30 CEEDMP COc1cc(C[N@@H+](C)[C@@H]2CCN(C)C[C@H]2C)ccc1C#N ZINC000290434475 376776995 /nfs/dbraw/zinc/77/69/95/376776995.db2.gz LLKYBJLFUKLOAZ-CZUORRHYSA-N 2 1 287.407 2.339 20 30 CEEDMP COc1cc(CN(C)[C@@H]2CC[N@H+](C)C[C@H]2C)ccc1C#N ZINC000290434475 376777000 /nfs/dbraw/zinc/77/70/00/376777000.db2.gz LLKYBJLFUKLOAZ-CZUORRHYSA-N 2 1 287.407 2.339 20 30 CEEDMP COc1cc(CN(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)ccc1C#N ZINC000290434475 376777005 /nfs/dbraw/zinc/77/70/05/376777005.db2.gz LLKYBJLFUKLOAZ-CZUORRHYSA-N 2 1 287.407 2.339 20 30 CEEDMP COc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)ccc1C#N ZINC000290434475 376777013 /nfs/dbraw/zinc/77/70/13/376777013.db2.gz LLKYBJLFUKLOAZ-CZUORRHYSA-N 2 1 287.407 2.339 20 30 CEEDMP COc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)ccc1C#N ZINC000290434475 376777020 /nfs/dbraw/zinc/77/70/20/376777020.db2.gz LLKYBJLFUKLOAZ-CZUORRHYSA-N 2 1 287.407 2.339 20 30 CEEDMP COc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)ccc1C#N ZINC000290434475 376777026 /nfs/dbraw/zinc/77/70/26/376777026.db2.gz LLKYBJLFUKLOAZ-CZUORRHYSA-N 2 1 287.407 2.339 20 30 CEEDMP COc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)ccc1C#N ZINC000290434475 376777033 /nfs/dbraw/zinc/77/70/33/376777033.db2.gz LLKYBJLFUKLOAZ-CZUORRHYSA-N 2 1 287.407 2.339 20 30 CEEDMP C#Cc1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000292783992 377280635 /nfs/dbraw/zinc/28/06/35/377280635.db2.gz LQPPNTYYUWSMJX-QGZVFWFLSA-N 2 1 254.377 2.196 20 30 CEEDMP C#Cc1ccc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)cc1 ZINC000292783992 377280642 /nfs/dbraw/zinc/28/06/42/377280642.db2.gz LQPPNTYYUWSMJX-QGZVFWFLSA-N 2 1 254.377 2.196 20 30 CEEDMP C#Cc1ccc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000292783992 377280647 /nfs/dbraw/zinc/28/06/47/377280647.db2.gz LQPPNTYYUWSMJX-QGZVFWFLSA-N 2 1 254.377 2.196 20 30 CEEDMP C#Cc1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000292783992 377280652 /nfs/dbraw/zinc/28/06/52/377280652.db2.gz LQPPNTYYUWSMJX-QGZVFWFLSA-N 2 1 254.377 2.196 20 30 CEEDMP C#CC[N@@H+](C)CCCN[C@H](C)c1cnn(C(C)C)c1 ZINC000294535665 377994913 /nfs/dbraw/zinc/99/49/13/377994913.db2.gz AIHNOBLZONCOOP-CQSZACIVSA-N 2 1 262.401 2.070 20 30 CEEDMP C#CC[N@H+](C)CCCN[C@H](C)c1cnn(C(C)C)c1 ZINC000294535665 377994916 /nfs/dbraw/zinc/99/49/16/377994916.db2.gz AIHNOBLZONCOOP-CQSZACIVSA-N 2 1 262.401 2.070 20 30 CEEDMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccc(C#N)cc1 ZINC000237360140 131025158 /nfs/dbraw/zinc/02/51/58/131025158.db2.gz ZJTVXLICQVYTOX-ZDUSSCGKSA-N 2 1 268.364 2.489 20 30 CEEDMP CC[NH+]=C(NCCn1cc[nH+]c1C)N1C[C@H](C)C[C@@H](C)C1 ZINC000262587811 394620413 /nfs/dbraw/zinc/62/04/13/394620413.db2.gz TUFDLQZUPPZURU-ZIAGYGMSSA-N 2 1 291.443 2.135 20 30 CEEDMP C[NH+]=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)N(C)C ZINC000262604563 394620549 /nfs/dbraw/zinc/62/05/49/394620549.db2.gz ZNHNGNKVXXLYNM-LBPRGKRZSA-N 2 1 280.441 2.022 20 30 CEEDMP C=C(C)C[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000358868045 394730334 /nfs/dbraw/zinc/73/03/34/394730334.db2.gz YIYPIFGIULEDLS-IYBDPMFKSA-N 2 1 296.455 2.153 20 30 CEEDMP C=C(C)C[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000358868045 394730338 /nfs/dbraw/zinc/73/03/38/394730338.db2.gz YIYPIFGIULEDLS-IYBDPMFKSA-N 2 1 296.455 2.153 20 30 CEEDMP C[N@H+]1CCC[C@]2(CC[NH+](CCCSCC#N)C2)C1 ZINC000339441655 394961080 /nfs/dbraw/zinc/96/10/80/394961080.db2.gz YSHMUKHSNIGDSJ-AWEZNQCLSA-N 2 1 267.442 2.051 20 30 CEEDMP C[NH+]1CCC[C@]2(CC[N@H+](CCCSCC#N)C2)C1 ZINC000339441655 394961085 /nfs/dbraw/zinc/96/10/85/394961085.db2.gz YSHMUKHSNIGDSJ-AWEZNQCLSA-N 2 1 267.442 2.051 20 30 CEEDMP C[NH+]1CCC[C@]2(CC[N@@H+](CCCSCC#N)C2)C1 ZINC000339441655 394961087 /nfs/dbraw/zinc/96/10/87/394961087.db2.gz YSHMUKHSNIGDSJ-AWEZNQCLSA-N 2 1 267.442 2.051 20 30 CEEDMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CCCC(C)(C)C#N ZINC000374421773 395081346 /nfs/dbraw/zinc/08/13/46/395081346.db2.gz PLGOLLANCHKGLF-OWCLPIDISA-N 2 1 293.455 2.500 20 30 CEEDMP C=CCOc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cc1OC ZINC000346993981 395116324 /nfs/dbraw/zinc/11/63/24/395116324.db2.gz BASYAQOHGHUMOX-ZFWWWQNUSA-N 2 1 290.407 2.429 20 30 CEEDMP C=CCOc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cc1OC ZINC000346993981 395116329 /nfs/dbraw/zinc/11/63/29/395116329.db2.gz BASYAQOHGHUMOX-ZFWWWQNUSA-N 2 1 290.407 2.429 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2COC(C)(C)C2)CC1 ZINC000417905153 395159599 /nfs/dbraw/zinc/15/95/99/395159599.db2.gz XMYWIXHZKWSETA-CQSZACIVSA-N 2 1 252.402 2.184 20 30 CEEDMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@@H](C)CCC#N)C1 ZINC000411309192 395326550 /nfs/dbraw/zinc/32/65/50/395326550.db2.gz QRXVVKPQCNQYLY-LSDHHAIUSA-N 2 1 267.417 2.111 20 30 CEEDMP C=CCCCC[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000569899637 395580930 /nfs/dbraw/zinc/58/09/30/395580930.db2.gz GMLNRHMDSLDYQA-DLBZAZTESA-N 2 1 279.472 2.301 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCc2nc(Cl)ccc21 ZINC000491678531 400594668 /nfs/dbraw/zinc/59/46/68/400594668.db2.gz ULXNIJIZUOCAOF-ZDUSSCGKSA-N 2 1 277.799 2.267 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCc2nc(Cl)ccc21 ZINC000491678531 400594671 /nfs/dbraw/zinc/59/46/71/400594671.db2.gz ULXNIJIZUOCAOF-ZDUSSCGKSA-N 2 1 277.799 2.267 20 30 CEEDMP CC(C)[NH+](CCC[NH2+]Cc1cc(C#N)n(C)c1)C(C)C ZINC000191263303 153165321 /nfs/dbraw/zinc/16/53/21/153165321.db2.gz VLEWQUVTJZFMOV-UHFFFAOYSA-N 2 1 276.428 2.495 20 30 CEEDMP C[N@H+]1CC[C@]2(C1)CCCN(CC#Cc1ccccc1)C2 ZINC000660664755 414923459 /nfs/dbraw/zinc/92/34/59/414923459.db2.gz SLGFLSSGLXDIOJ-SFHVURJKSA-N 2 1 268.404 2.456 20 30 CEEDMP C=CCC(C)(C)C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655770796 415450476 /nfs/dbraw/zinc/45/04/76/415450476.db2.gz PMCNFTFBJRAROC-OAHLLOKOSA-N 2 1 266.429 2.432 20 30 CEEDMP C=CCCC[C@H](C)[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662154138 415662015 /nfs/dbraw/zinc/66/20/15/415662015.db2.gz WOABWIDMWRYUFO-HOCLYGCPSA-N 2 1 266.429 2.262 20 30 CEEDMP C=CC[N@@H+](CCc1ccccc1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662252572 415717236 /nfs/dbraw/zinc/71/72/36/415717236.db2.gz AUWNSHJIANKFRG-KRWDZBQOSA-N 2 1 286.419 2.238 20 30 CEEDMP C=CC[N@H+](CCCC1CC[NH2+]CC1)[C@@H](C)COC ZINC000662298823 415761695 /nfs/dbraw/zinc/76/16/95/415761695.db2.gz HLRPGVYOWNMKMI-AWEZNQCLSA-N 2 1 254.418 2.289 20 30 CEEDMP CC[C@@H](C)NC(=[NH2+])NC[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000264117687 262874900 /nfs/dbraw/zinc/87/49/00/262874900.db2.gz TWFOQFIWBBUNAZ-ZIAGYGMSSA-N 2 1 288.439 2.136 20 30 CEEDMP CC[C@@H](C)NC(=[NH2+])NC[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000264117687 262874902 /nfs/dbraw/zinc/87/49/02/262874902.db2.gz TWFOQFIWBBUNAZ-ZIAGYGMSSA-N 2 1 288.439 2.136 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)[C@@H]2CCCOC2)CC1 ZINC000356845142 266187819 /nfs/dbraw/zinc/18/78/19/266187819.db2.gz IGGCJZLGQSIFEA-LSDHHAIUSA-N 2 1 266.429 2.432 20 30 CEEDMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2ccc(C#N)s2)C1 ZINC000459739199 267335617 /nfs/dbraw/zinc/33/56/17/267335617.db2.gz SJHRNXHNIVHISB-LBPRGKRZSA-N 2 1 263.410 2.441 20 30 CEEDMP Cn1cc[nH+]c1CC1CC[NH+](CCCSCC#N)CC1 ZINC000173886838 329153441 /nfs/dbraw/zinc/15/34/41/329153441.db2.gz ZIZRYBGPBDBYDG-UHFFFAOYSA-N 2 1 292.452 2.321 20 30 CEEDMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCCCC#N)[C@H](C)C1 ZINC000178643722 329201671 /nfs/dbraw/zinc/20/16/71/329201671.db2.gz HEXBIJOVQJUJQP-CVEARBPZSA-N 2 1 281.444 2.407 20 30 CEEDMP C[N@H+]1CCC[C@@H](CNC(=[NH2+])NC2CC2)[C@H]1c1cccs1 ZINC000262672571 330025851 /nfs/dbraw/zinc/02/58/51/330025851.db2.gz PZELAYAVIWXHBH-FZMZJTMJSA-N 2 1 292.452 2.198 20 30 CEEDMP CN1CC[NH+]=C1NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000262673519 330025970 /nfs/dbraw/zinc/02/59/70/330025970.db2.gz SCOZYDHSHDBXFV-OCCSQVGLSA-N 2 1 292.452 2.022 20 30 CEEDMP CC[NH+]=C(NCC(C)(C)[N@H+]1CCC[C@@H](C)C1)NC1CC1 ZINC000263111265 330044132 /nfs/dbraw/zinc/04/41/32/330044132.db2.gz DRPJMBOHWBUSAM-CYBMUJFWSA-N 2 1 280.460 2.214 20 30 CEEDMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC1(CC#N)CC1 ZINC000423106311 330170463 /nfs/dbraw/zinc/17/04/63/330170463.db2.gz ZOWUEQNZISKUIF-ZFWWWQNUSA-N 2 1 257.381 2.228 20 30 CEEDMP CC(C)(CCC#N)C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000423130003 330171580 /nfs/dbraw/zinc/17/15/80/330171580.db2.gz RQDZTOQGICPABC-ZNMIVQPWSA-N 2 1 279.428 2.063 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCc2ccccc2C1 ZINC000328048826 330290338 /nfs/dbraw/zinc/29/03/38/330290338.db2.gz YVXVVWVZUDRERI-QGZVFWFLSA-N 2 1 256.393 2.089 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCc2ccccc2C1 ZINC000328048826 330290339 /nfs/dbraw/zinc/29/03/39/330290339.db2.gz YVXVVWVZUDRERI-QGZVFWFLSA-N 2 1 256.393 2.089 20 30 CEEDMP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000424294066 330335636 /nfs/dbraw/zinc/33/56/36/330335636.db2.gz JTCKSUWOTXGSFR-QMHWVQJVSA-N 2 1 264.413 2.040 20 30 CEEDMP C=CCOc1ccc(C[N@@H+](C)CCC[NH3+])cc1OC ZINC000577280525 335334864 /nfs/dbraw/zinc/33/48/64/335334864.db2.gz WEEINMZRFGQOGG-UHFFFAOYSA-N 2 1 264.369 2.041 20 30 CEEDMP C=CCCCCC[NH2+]C1CC[NH+](CCOC)CC1 ZINC000580725796 335790873 /nfs/dbraw/zinc/79/08/73/335790873.db2.gz WAPGAJKSWDOWSW-UHFFFAOYSA-N 2 1 254.418 2.433 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC000381399723 336061516 /nfs/dbraw/zinc/06/15/16/336061516.db2.gz OGXIFZVPFHTHCO-CYBMUJFWSA-N 2 1 274.364 2.021 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC000381399723 336061518 /nfs/dbraw/zinc/06/15/18/336061518.db2.gz OGXIFZVPFHTHCO-CYBMUJFWSA-N 2 1 274.364 2.021 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000294999703 526827407 /nfs/dbraw/zinc/82/74/07/526827407.db2.gz LYQJUMZYGQKYRY-OAHLLOKOSA-N 2 1 285.391 2.195 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000294999703 526827413 /nfs/dbraw/zinc/82/74/13/526827413.db2.gz LYQJUMZYGQKYRY-OAHLLOKOSA-N 2 1 285.391 2.195 20 30 CEEDMP C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352866492 526849569 /nfs/dbraw/zinc/84/95/69/526849569.db2.gz LTHGIPSDWMZBEM-SWLSCSKDSA-N 2 1 295.452 2.276 20 30 CEEDMP c1nncn1[NH+]=C1CCCC[C@@H]1[NH+]1CCCCCC1 ZINC000749808754 575235035 /nfs/dbraw/zinc/23/50/35/575235035.db2.gz YRNCLYMPSSSIPJ-AWEZNQCLSA-N 2 1 261.373 2.301 20 30 CEEDMP C[C@@H]1C[C@@H](C)C[NH+]([C@@H]2CCCCC2=[NH+]n2cnnc2)C1 ZINC000751517756 575290964 /nfs/dbraw/zinc/29/09/64/575290964.db2.gz VUEXXXJTHRIDMG-UMVBOHGHSA-N 2 1 275.400 2.403 20 30 CEEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C[C@@H]1C ZINC000947551587 613753687 /nfs/dbraw/zinc/75/36/87/613753687.db2.gz MTHJODTWWYXJBN-DZGCQCFKSA-N 2 1 298.390 2.103 20 30 CEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C[C@H]1C ZINC000947502995 613793870 /nfs/dbraw/zinc/79/38/70/613793870.db2.gz XTXFUGZLGIDGTR-HIFRSBDPSA-N 2 1 298.390 2.103 20 30 CEEDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]CC#Cc1ccccc1 ZINC000892509742 625739757 /nfs/dbraw/zinc/73/97/57/625739757.db2.gz CIOBHXMAKISFHO-OAHLLOKOSA-N 2 1 267.376 2.469 20 30 CEEDMP C=CC[NH2+]C1CCC(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001026491719 628336500 /nfs/dbraw/zinc/33/65/00/628336500.db2.gz JUTQRDUZFPABER-UYSNPLJNSA-N 2 1 293.455 2.062 20 30 CEEDMP C=CC[NH2+]C1CCC(NC(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001026503207 628339981 /nfs/dbraw/zinc/33/99/81/628339981.db2.gz NUARGSJVIREORO-GPANFISMSA-N 2 1 293.455 2.064 20 30 CEEDMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cnc3ccc(C#N)cn23)C1 ZINC000123511056 628383455 /nfs/dbraw/zinc/38/34/55/628383455.db2.gz OYDKSEWDXJSOJW-HNNXBMFYSA-N 2 1 297.406 2.027 20 30 CEEDMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cnc3ccc(C#N)cn23)C1 ZINC000123511056 628383458 /nfs/dbraw/zinc/38/34/58/628383458.db2.gz OYDKSEWDXJSOJW-HNNXBMFYSA-N 2 1 297.406 2.027 20 30 CEEDMP CC[C@]1(C)CCN(C(NC[C@@H](C)[N@@H+](C)C2CC2)=[NH+]C)C1 ZINC000261805226 629248604 /nfs/dbraw/zinc/24/86/04/629248604.db2.gz RXMPJEPYCIRIBZ-CZUORRHYSA-N 2 1 280.460 2.167 20 30 CEEDMP CC[C@H](C)NC(=[NH2+])NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000303253931 631079363 /nfs/dbraw/zinc/07/93/63/631079363.db2.gz DKXHVQRETFUKFW-ZNMIVQPWSA-N 2 1 282.476 2.447 20 30 CEEDMP C=CC[C@@H](C)[N@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000878722052 651173718 /nfs/dbraw/zinc/17/37/18/651173718.db2.gz OSNDIXFNJLPEGT-MRXNPFEDSA-N 2 1 279.472 2.443 20 30 CEEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001014632880 632639275 /nfs/dbraw/zinc/63/92/75/632639275.db2.gz RYUQQKJDFGJISE-CVEARBPZSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001014632880 632639277 /nfs/dbraw/zinc/63/92/77/632639277.db2.gz RYUQQKJDFGJISE-CVEARBPZSA-N 2 1 293.455 2.018 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1c2ccccc2C[C@@H]1C ZINC000815652904 633043506 /nfs/dbraw/zinc/04/35/06/633043506.db2.gz ZSVGJCFWTHTVIK-WMLDXEAASA-N 2 1 256.393 2.465 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1c2ccccc2C[C@@H]1C ZINC000815652904 633043510 /nfs/dbraw/zinc/04/35/10/633043510.db2.gz ZSVGJCFWTHTVIK-WMLDXEAASA-N 2 1 256.393 2.465 20 30 CEEDMP C=C(CC[NH+](C)C)C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000900106174 633458152 /nfs/dbraw/zinc/45/81/52/633458152.db2.gz DZMVTQSQOPLMLM-UHFFFAOYSA-N 2 1 295.471 2.265 20 30 CEEDMP Cc1cc(C#N)cc(C)c1C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000903452479 635136002 /nfs/dbraw/zinc/13/60/02/635136002.db2.gz NFQUYTCTGDPZRN-DOTOQJQBSA-N 2 1 269.392 2.359 20 30 CEEDMP Cc1cc(C#N)cc(C)c1C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000903452479 635136005 /nfs/dbraw/zinc/13/60/05/635136005.db2.gz NFQUYTCTGDPZRN-DOTOQJQBSA-N 2 1 269.392 2.359 20 30 CEEDMP N#CC1CCC(C[N@@H+]2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)CC1 ZINC000903479349 635148168 /nfs/dbraw/zinc/14/81/68/635148168.db2.gz UQQJZUOWXYHKFG-IFWUJCSASA-N 2 1 289.345 2.385 20 30 CEEDMP C=CC[C@@H]1CC[N@@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903769243 635259547 /nfs/dbraw/zinc/25/95/47/635259547.db2.gz AOXZSWUWIJCYSR-CABCVRRESA-N 2 1 264.413 2.043 20 30 CEEDMP C[C@H](CNC(NCc1ccccc1)=[NH+]C(C)(C)C)[NH+](C)C ZINC000912499660 638709303 /nfs/dbraw/zinc/70/93/03/638709303.db2.gz XPWSUWAXRBRBMA-CQSZACIVSA-N 2 1 290.455 2.470 20 30 CEEDMP C=C(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000912504960 638711928 /nfs/dbraw/zinc/71/19/28/638711928.db2.gz BWDCJBGRIMVMEO-OAHLLOKOSA-N 2 1 293.455 2.018 20 30 CEEDMP C[C@@H](CCC#N)C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000877030598 650537976 /nfs/dbraw/zinc/53/79/76/650537976.db2.gz GOKZXPTXDBFQFV-HOCLYGCPSA-N 2 1 279.428 2.159 20 30 CEEDMP C#C[C@H]1CCC[NH+](CCCC[N@@H+]2CCC[C@H](C#C)C2)C1 ZINC000847023254 641529775 /nfs/dbraw/zinc/52/97/75/641529775.db2.gz ZWTNDUSEVVNXME-ROUUACIJSA-N 2 1 272.436 2.457 20 30 CEEDMP C=C(C)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC000999876224 642518163 /nfs/dbraw/zinc/51/81/63/642518163.db2.gz INNVEINRXYHUHX-GPANFISMSA-N 2 1 293.455 2.016 20 30 CEEDMP C#CCCCCCC[NH+]1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000877670191 650842569 /nfs/dbraw/zinc/84/25/69/650842569.db2.gz IDTLWFSXUOYWHZ-QZTJIDSGSA-N 3 1 293.499 2.241 20 30 CEEDMP C#CC[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C1CC1 ZINC000764680991 645674507 /nfs/dbraw/zinc/67/45/07/645674507.db2.gz DDZXULYJMZOPEJ-UHFFFAOYSA-N 2 1 283.419 2.036 20 30 CEEDMP C#CCSCC[NH2+][C@@H]1CC[N@H+](CCCOCC)C[C@H]1C ZINC000773009609 646695559 /nfs/dbraw/zinc/69/55/59/646695559.db2.gz CYWQZNXXGAQHMH-HZPDHXFCSA-N 2 1 298.496 2.079 20 30 CEEDMP C[N@H+]1CC[C@@H]([NH2+][C@H]2Cc3ccc(C#N)cc3C2)CC1(C)C ZINC000865847555 647491019 /nfs/dbraw/zinc/49/10/19/647491019.db2.gz NAFZDAIPSIHJJD-SJORKVTESA-N 2 1 283.419 2.488 20 30 CEEDMP C[C@@H]1C[NH2+]C[C@@H]([NH2+]C2CCN(c3ccccc3C#N)CC2)C1 ZINC000873215887 649593409 /nfs/dbraw/zinc/59/34/09/649593409.db2.gz GFGMPGOFFLALGK-YOEHRIQHSA-N 2 1 298.434 2.115 20 30 CEEDMP CC[C@@H]([NH2+][C@@H]1Cc2ccc(C#N)cc2C1)[C@@H]1CCC[NH2+]1 ZINC000873277058 649622551 /nfs/dbraw/zinc/62/25/51/649622551.db2.gz ZLMZIXJLLCUTRY-ZACQAIPSSA-N 2 1 269.392 2.146 20 30 CEEDMP C[N@@H+]1CC[C@@H]2C[NH+](CCCC3(C#N)CCOCC3)CC[C@H]21 ZINC000879581593 651327448 /nfs/dbraw/zinc/32/74/48/651327448.db2.gz MPYWTTNROPJFBY-HZPDHXFCSA-N 2 1 291.439 2.113 20 30 CEEDMP C[N@H+]1CC[C@@H]2C[NH+](CCCC3(C#N)CCOCC3)CC[C@H]21 ZINC000879581593 651327449 /nfs/dbraw/zinc/32/74/49/651327449.db2.gz MPYWTTNROPJFBY-HZPDHXFCSA-N 2 1 291.439 2.113 20 30 CEEDMP C[NH+]1CC[C@@H]2C[N@H+](CCCC3(C#N)CCOCC3)CC[C@H]21 ZINC000879581593 651327450 /nfs/dbraw/zinc/32/74/50/651327450.db2.gz MPYWTTNROPJFBY-HZPDHXFCSA-N 2 1 291.439 2.113 20 30 CEEDMP C[NH+]1CC[C@@H]2C[N@@H+](CCCC3(C#N)CCOCC3)CC[C@H]21 ZINC000879581593 651327451 /nfs/dbraw/zinc/32/74/51/651327451.db2.gz MPYWTTNROPJFBY-HZPDHXFCSA-N 2 1 291.439 2.113 20 30 CEEDMP Cc1cc(C#N)ccc1C[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879583745 651327511 /nfs/dbraw/zinc/32/75/11/651327511.db2.gz ZQGODRSLDFXQDI-IRXDYDNUSA-N 2 1 269.392 2.393 20 30 CEEDMP Cc1cc(C#N)ccc1C[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879583745 651327512 /nfs/dbraw/zinc/32/75/12/651327512.db2.gz ZQGODRSLDFXQDI-IRXDYDNUSA-N 2 1 269.392 2.393 20 30 CEEDMP Cc1cc(C#N)ccc1C[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879583745 651327513 /nfs/dbraw/zinc/32/75/13/651327513.db2.gz ZQGODRSLDFXQDI-IRXDYDNUSA-N 2 1 269.392 2.393 20 30 CEEDMP Cc1cc(C#N)ccc1C[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879583745 651327514 /nfs/dbraw/zinc/32/75/14/651327514.db2.gz ZQGODRSLDFXQDI-IRXDYDNUSA-N 2 1 269.392 2.393 20 30 CEEDMP C[N@H+]1CCC[C@@H]1CCN1CCN(c2ccc(C#N)cc2)CC1 ZINC000879586523 651327708 /nfs/dbraw/zinc/32/77/08/651327708.db2.gz MWEWCZAFUQRWBP-QGZVFWFLSA-N 2 1 298.434 2.165 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+]Cc1cccc2ncccc12 ZINC000883131167 652372696 /nfs/dbraw/zinc/37/26/96/652372696.db2.gz KUDMGFVAVQOGDI-UHFFFAOYSA-N 2 1 267.376 2.280 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1cccc2ncccc12 ZINC000883131167 652372699 /nfs/dbraw/zinc/37/26/99/652372699.db2.gz KUDMGFVAVQOGDI-UHFFFAOYSA-N 2 1 267.376 2.280 20 30 CEEDMP C=CC[C@H](C)[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000883434748 652468749 /nfs/dbraw/zinc/46/87/49/652468749.db2.gz ZUBCMHPTRKEJSO-ZQDZILKHSA-N 2 1 252.402 2.169 20 30 CEEDMP C[NH+](C)CC1CCN(c2[nH+]ccc3[nH]cc(C#N)c32)CC1 ZINC001165044496 721948156 /nfs/dbraw/zinc/94/81/56/721948156.db2.gz CIKKMYKFZDVJKZ-UHFFFAOYSA-N 2 1 283.379 2.213 20 30 CEEDMP C=CCCC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CCC)C[C@@H]1C ZINC001271447506 805959792 /nfs/dbraw/zinc/95/97/92/805959792.db2.gz KXALJUWZFIZHLB-HOTGVXAUSA-N 2 1 295.471 2.121 20 30 CEEDMP C=CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001088336674 806134395 /nfs/dbraw/zinc/13/43/95/806134395.db2.gz JKBXXCVCRZTJON-JKSUJKDBSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)CC[N@H+](C)CCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001266332633 802449992 /nfs/dbraw/zinc/44/99/92/802449992.db2.gz UUSPDCSNIHXOAH-MRXNPFEDSA-N 2 1 295.471 2.265 20 30 CEEDMP C=C(C)C[N@@H+](CC)CCNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001266400234 802530325 /nfs/dbraw/zinc/53/03/25/802530325.db2.gz DONNJXUAXZLGTA-INIZCTEOSA-N 2 1 295.471 2.121 20 30 CEEDMP C=C(C)C[NH+](CC)CCNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001266400234 802530326 /nfs/dbraw/zinc/53/03/26/802530326.db2.gz DONNJXUAXZLGTA-INIZCTEOSA-N 2 1 295.471 2.121 20 30 CEEDMP C=C(C)C[NH+](CC)CCNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001266400234 802530331 /nfs/dbraw/zinc/53/03/31/802530331.db2.gz DONNJXUAXZLGTA-INIZCTEOSA-N 2 1 295.471 2.121 20 30 CEEDMP C=C(C)CC[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001266854456 802943880 /nfs/dbraw/zinc/94/38/80/802943880.db2.gz PJCNXXWWNZQYBV-MRXNPFEDSA-N 2 1 295.471 2.264 20 30 CEEDMP C=CC[N@H+]1CCC[C@@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001268154017 804491549 /nfs/dbraw/zinc/49/15/49/804491549.db2.gz WOIOZUWMWFWWIG-MRXNPFEDSA-N 2 1 293.455 2.019 20 30 CEEDMP C=CCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001171546573 815188282 /nfs/dbraw/zinc/18/82/82/815188282.db2.gz LIYDCMJKFUWVMW-HOTGVXAUSA-N 2 1 295.471 2.311 20 30 CEEDMP C=CCCCCC[NH2+]CCCNC(=O)C[N@H+](C)CCC ZINC001171762592 815227026 /nfs/dbraw/zinc/22/70/26/815227026.db2.gz HKZYOGMGEJWLLI-UHFFFAOYSA-N 2 1 283.460 2.171 20 30 CEEDMP C[C@@H](Cc1ccc(C#N)cc1)[NH2+]C[C@@H]1CC[N@@H+](C)C1 ZINC001172291475 815382175 /nfs/dbraw/zinc/38/21/75/815382175.db2.gz ZCVOCYVBFVDIDF-BBRMVZONSA-N 2 1 257.381 2.031 20 30 CEEDMP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001085432723 810747870 /nfs/dbraw/zinc/74/78/70/810747870.db2.gz MWYDURWSCCHRET-OAGGEKHMSA-N 2 1 293.455 2.064 20 30 CEEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001273428520 811127457 /nfs/dbraw/zinc/12/74/57/811127457.db2.gz PDWFMKAWJKSWIF-HOTGVXAUSA-N 2 1 295.471 2.119 20 30 CEEDMP COc1cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)ccc1C#N ZINC001206037034 812161202 /nfs/dbraw/zinc/16/12/02/812161202.db2.gz SLJULSDRKKIRHK-HIFRSBDPSA-N 2 1 287.407 2.374 20 30 CEEDMP C=CCC[C@H](C)[NH2+]CCNC(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001129423050 812492414 /nfs/dbraw/zinc/49/24/14/812492414.db2.gz OPERMETWIVNQIO-JKSUJKDBSA-N 2 1 295.471 2.310 20 30 CEEDMP C=CCCCCC[NH2+]CCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001129840500 812515226 /nfs/dbraw/zinc/51/52/26/812515226.db2.gz GVSKBSLXSKYJFC-INIZCTEOSA-N 2 1 295.471 2.313 20 30 CEEDMP C=CCCCCCC[C@H](O)C[N@@H+]1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC001246046953 813667115 /nfs/dbraw/zinc/66/71/15/813667115.db2.gz RKXCOZXIBSNRTN-ZACQAIPSSA-N 2 1 280.456 2.415 20 30 CEEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H](C)CCCC ZINC001246305154 813768512 /nfs/dbraw/zinc/76/85/12/813768512.db2.gz GXECPIAICRCOGM-KGLIPLIRSA-N 2 1 270.417 2.382 20 30 CEEDMP C=CCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001146603688 814300701 /nfs/dbraw/zinc/30/07/01/814300701.db2.gz YLMXQXNGWRVBIP-LSDHHAIUSA-N 2 1 283.460 2.166 20 30 CEEDMP C=C(C)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C)CCCCC1 ZINC001115450558 814709492 /nfs/dbraw/zinc/70/94/92/814709492.db2.gz FXNDGCVCRNFEAC-HNNXBMFYSA-N 2 1 293.455 2.065 20 30 CEEDMP C[NH+](C)CCC[N@H+](CCC[NH3+])C1CCC(CC#N)CC1 ZINC001173329824 815677308 /nfs/dbraw/zinc/67/73/08/815677308.db2.gz JPVMWRZXVCTAAR-UHFFFAOYSA-N 3 1 280.460 2.061 20 30 CEEDMP C[NH+](C)CCC[N@@H+](CCC[NH3+])C1CCC(CC#N)CC1 ZINC001173329824 815677315 /nfs/dbraw/zinc/67/73/15/815677315.db2.gz JPVMWRZXVCTAAR-UHFFFAOYSA-N 3 1 280.460 2.061 20 30 CEEDMP CC[N@H+]1C[C@@H]2C[NH+](Cc3c[nH]c4c3cccc4C#N)C[C@@H]2C1 ZINC001139707674 816091585 /nfs/dbraw/zinc/09/15/85/816091585.db2.gz OJSGUEMAGGAJBU-IYBDPMFKSA-N 2 1 294.402 2.423 20 30 CEEDMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3c[nH]c4c3cccc4C#N)C[C@@H]2C1 ZINC001139707674 816091591 /nfs/dbraw/zinc/09/15/91/816091591.db2.gz OJSGUEMAGGAJBU-IYBDPMFKSA-N 2 1 294.402 2.423 20 30 CEEDMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3c[nH]c4c3cccc4C#N)C[C@@H]2C1 ZINC001139707674 816091598 /nfs/dbraw/zinc/09/15/98/816091598.db2.gz OJSGUEMAGGAJBU-IYBDPMFKSA-N 2 1 294.402 2.423 20 30 CEEDMP CC[NH+]1C[C@@H]2C[N@H+](Cc3c[nH]c4c3cccc4C#N)C[C@@H]2C1 ZINC001139707674 816091606 /nfs/dbraw/zinc/09/16/06/816091606.db2.gz OJSGUEMAGGAJBU-IYBDPMFKSA-N 2 1 294.402 2.423 20 30 CEEDMP C=CCC[NH2+]CCCC[C@H](C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001175263422 816164684 /nfs/dbraw/zinc/16/46/84/816164684.db2.gz POSUYMOZMPMHSG-CVEARBPZSA-N 2 1 295.471 2.169 20 30 CEEDMP C=CCC[NH2+]CCCCCCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001178833027 816799826 /nfs/dbraw/zinc/79/98/26/816799826.db2.gz NEEIEPOXPCPIRB-MRXNPFEDSA-N 2 1 295.471 2.313 20 30 CEEDMP C=C(C)CC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)[C@H]1C ZINC001178902267 816812530 /nfs/dbraw/zinc/81/25/30/816812530.db2.gz IFKMVUCATDEYGK-HOCLYGCPSA-N 2 1 293.455 2.016 20 30 CEEDMP CCCNC(=[NH2+])NC[C@H]1CCC[N@H+]1CCc1ccccc1 ZINC000079917701 343994041 /nfs/dbraw/zinc/99/40/41/343994041.db2.gz JTHOWASJVRMCEV-MRXNPFEDSA-N 2 1 288.439 2.008 20 30 CEEDMP C=C(C)[C@@H](CO)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000677047889 539183132 /nfs/dbraw/zinc/18/31/32/539183132.db2.gz JAGQGRNBSDRMDD-ZWKOTPCHSA-N 2 1 288.435 2.377 20 30 CEEDMP C=C(C)[C@@H](CO)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000677047889 539183133 /nfs/dbraw/zinc/18/31/33/539183133.db2.gz JAGQGRNBSDRMDD-ZWKOTPCHSA-N 2 1 288.435 2.377 20 30 CEEDMP C=C(C)[C@@H](CO)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000677047889 539183135 /nfs/dbraw/zinc/18/31/35/539183135.db2.gz JAGQGRNBSDRMDD-ZWKOTPCHSA-N 2 1 288.435 2.377 20 30 CEEDMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](C[C@@H](C)CCC#N)C2)CC1 ZINC000602481129 347052853 /nfs/dbraw/zinc/05/28/53/347052853.db2.gz FICIDSXTRMFGJG-DLBZAZTESA-N 2 1 292.471 2.027 20 30 CEEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000602516400 347064475 /nfs/dbraw/zinc/06/44/75/347064475.db2.gz KQKQXHRFHQGHHD-OWCLPIDISA-N 2 1 291.439 2.302 20 30 CEEDMP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccc(C#N)cc1F ZINC000591570767 345264456 /nfs/dbraw/zinc/26/44/56/345264456.db2.gz KBYXZGSFODKHRK-IAQYHMDHSA-N 2 1 261.344 2.175 20 30 CEEDMP CC[C@@H]1C[N@H+](Cc2ccc(C)c(C#N)c2)CC[C@H]1[NH3+] ZINC000600712221 346675996 /nfs/dbraw/zinc/67/59/96/346675996.db2.gz UYWRFBJNIUKJGO-GDBMZVCRSA-N 2 1 257.381 2.426 20 30 CEEDMP CC[C@@H]1C[N@@H+](Cc2ccc(C)c(C#N)c2)CC[C@H]1[NH3+] ZINC000600712221 346675998 /nfs/dbraw/zinc/67/59/98/346675998.db2.gz UYWRFBJNIUKJGO-GDBMZVCRSA-N 2 1 257.381 2.426 20 30 CEEDMP C[NH+]1CCC2(CC[N@@H+](Cc3cccc(C#N)c3)C2)CC1 ZINC000602876809 347234793 /nfs/dbraw/zinc/23/47/93/347234793.db2.gz BFYGSSMDODYQMK-UHFFFAOYSA-N 2 1 269.392 2.476 20 30 CEEDMP Cc1cc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)ccc1C#N ZINC000336510812 213386149 /nfs/dbraw/zinc/38/61/49/213386149.db2.gz RDILCXGNDJPFFU-KRWDZBQOSA-N 2 1 269.392 2.394 20 30 CEEDMP Cc1cc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)ccc1C#N ZINC000336510812 213386151 /nfs/dbraw/zinc/38/61/51/213386151.db2.gz RDILCXGNDJPFFU-KRWDZBQOSA-N 2 1 269.392 2.394 20 30 CEEDMP Cc1cc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)ccc1C#N ZINC000336510812 213386154 /nfs/dbraw/zinc/38/61/54/213386154.db2.gz RDILCXGNDJPFFU-KRWDZBQOSA-N 2 1 269.392 2.394 20 30 CEEDMP Cc1cc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)ccc1C#N ZINC000336510812 213386156 /nfs/dbraw/zinc/38/61/56/213386156.db2.gz RDILCXGNDJPFFU-KRWDZBQOSA-N 2 1 269.392 2.394 20 30 CEEDMP C[C@@H]1C[C@H]([NH+](C)CCOc2ccccc2C#N)CC[N@@H+]1C ZINC000123121685 187072384 /nfs/dbraw/zinc/07/23/84/187072384.db2.gz VABBTQZFYOIVHX-GDBMZVCRSA-N 2 1 287.407 2.352 20 30 CEEDMP C[C@@H]1C[C@H]([NH+](C)CCOc2ccccc2C#N)CC[N@H+]1C ZINC000123121685 187072385 /nfs/dbraw/zinc/07/23/85/187072385.db2.gz VABBTQZFYOIVHX-GDBMZVCRSA-N 2 1 287.407 2.352 20 30 CEEDMP C[C@@H]1C[C@H]([N@H+](C)CCOc2ccccc2C#N)CC[NH+]1C ZINC000123121685 187072386 /nfs/dbraw/zinc/07/23/86/187072386.db2.gz VABBTQZFYOIVHX-GDBMZVCRSA-N 2 1 287.407 2.352 20 30 CEEDMP C[C@@H]1C[C@H]([N@@H+](C)CCOc2ccccc2C#N)CC[NH+]1C ZINC000123121685 187072387 /nfs/dbraw/zinc/07/23/87/187072387.db2.gz VABBTQZFYOIVHX-GDBMZVCRSA-N 2 1 287.407 2.352 20 30 CEEDMP C[C@H]1C[C@H]([NH+](C)CCOc2cccc(C#N)c2)CC[N@@H+]1C ZINC000123416843 187090408 /nfs/dbraw/zinc/09/04/08/187090408.db2.gz CNVSSZBWFWJHOW-GOEBONIOSA-N 2 1 287.407 2.352 20 30 CEEDMP C[C@H]1C[C@H]([NH+](C)CCOc2cccc(C#N)c2)CC[N@H+]1C ZINC000123416843 187090409 /nfs/dbraw/zinc/09/04/09/187090409.db2.gz CNVSSZBWFWJHOW-GOEBONIOSA-N 2 1 287.407 2.352 20 30 CEEDMP C[C@H]1C[C@H]([N@H+](C)CCOc2cccc(C#N)c2)CC[NH+]1C ZINC000123416843 187090410 /nfs/dbraw/zinc/09/04/10/187090410.db2.gz CNVSSZBWFWJHOW-GOEBONIOSA-N 2 1 287.407 2.352 20 30 CEEDMP C[C@H]1C[C@H]([N@@H+](C)CCOc2cccc(C#N)c2)CC[NH+]1C ZINC000123416843 187090411 /nfs/dbraw/zinc/09/04/11/187090411.db2.gz CNVSSZBWFWJHOW-GOEBONIOSA-N 2 1 287.407 2.352 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)COC(C)C)CC1 ZINC000337329805 366142278 /nfs/dbraw/zinc/14/22/78/366142278.db2.gz FYEVEFJHCOOODL-CQSZACIVSA-N 2 1 254.418 2.430 20 30 CEEDMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cccc(C#N)c1 ZINC000271887290 191390518 /nfs/dbraw/zinc/39/05/18/191390518.db2.gz QZPUQQATVWBPEG-CYBMUJFWSA-N 2 1 255.365 2.471 20 30 CEEDMP C=C(C)CN1CCC([NH2+]C2CC[NH+](C(C)C)CC2)CC1 ZINC000153043945 366725495 /nfs/dbraw/zinc/72/54/95/366725495.db2.gz GCJFETXRUDMJGM-UHFFFAOYSA-N 2 1 279.472 2.489 20 30 CEEDMP COCC#CC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000679823669 541320727 /nfs/dbraw/zinc/32/07/27/541320727.db2.gz OJTJZPPZYHBWNX-AWEZNQCLSA-N 2 1 283.375 2.481 20 30 CEEDMP C=CC[C@@H](CO)C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000341268799 367259295 /nfs/dbraw/zinc/25/92/95/367259295.db2.gz KTFVCOAEUQSKJI-QGZVFWFLSA-N 2 1 288.435 2.425 20 30 CEEDMP N#Cc1cccc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000343572300 367891339 /nfs/dbraw/zinc/89/13/39/367891339.db2.gz MRHXJBNFIDSSQQ-DLBZAZTESA-N 2 1 269.392 2.317 20 30 CEEDMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]Cc2cnc3ccc(C#N)cn23)C1 ZINC000175009019 368089640 /nfs/dbraw/zinc/08/96/40/368089640.db2.gz QPPCCYCBRZTBSE-LSDHHAIUSA-N 2 1 297.406 2.168 20 30 CEEDMP N#Cc1ccc(OCC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000246354346 370949094 /nfs/dbraw/zinc/94/90/94/370949094.db2.gz HYPURKMMCYWRQX-CVEARBPZSA-N 2 1 285.391 2.153 20 30 CEEDMP C=CCOCCC[NH+](C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000348049677 368874517 /nfs/dbraw/zinc/87/45/17/368874517.db2.gz JAKRZIZBIZMBMN-LSDHHAIUSA-N 2 1 254.418 2.384 20 30 CEEDMP C=CCOCCC[N@@H+](C)[C@@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000348049677 368874522 /nfs/dbraw/zinc/87/45/22/368874522.db2.gz JAKRZIZBIZMBMN-LSDHHAIUSA-N 2 1 254.418 2.384 20 30 CEEDMP C=CCOCCC[N@H+](C)[C@@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000348049677 368874528 /nfs/dbraw/zinc/87/45/28/368874528.db2.gz JAKRZIZBIZMBMN-LSDHHAIUSA-N 2 1 254.418 2.384 20 30 CEEDMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCCSCC#N)C1 ZINC000173902382 261173899 /nfs/dbraw/zinc/17/38/99/261173899.db2.gz BRSMTYOVYQLOGX-CQSZACIVSA-N 2 1 269.458 2.297 20 30 CEEDMP C[C@H]1CCCC[N@H+]1CCCNCc1cc(C#N)n(C)c1 ZINC000189574990 369540727 /nfs/dbraw/zinc/54/07/27/369540727.db2.gz ZYPCAITVWMEQLS-AWEZNQCLSA-N 2 1 274.412 2.251 20 30 CEEDMP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cc(C#N)n(C)c1 ZINC000189574990 369540730 /nfs/dbraw/zinc/54/07/30/369540730.db2.gz ZYPCAITVWMEQLS-AWEZNQCLSA-N 2 1 274.412 2.251 20 30 CEEDMP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1cc(C#N)n(C)c1 ZINC000189574990 369540736 /nfs/dbraw/zinc/54/07/36/369540736.db2.gz ZYPCAITVWMEQLS-AWEZNQCLSA-N 2 1 274.412 2.251 20 30 CEEDMP COc1cc(C[NH2+]CCC[NH+]2CCCC2)ccc1C#N ZINC000234908894 370548058 /nfs/dbraw/zinc/54/80/58/370548058.db2.gz AGXOPOWCSJOKGS-UHFFFAOYSA-N 2 1 273.380 2.142 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)Cc2cnccn2)CC1 ZINC000638524813 370590431 /nfs/dbraw/zinc/59/04/31/370590431.db2.gz SJRRHHIRKFUAJX-AWEZNQCLSA-N 2 1 274.412 2.038 20 30 CEEDMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(C#N)n(C)c2)[C@@H](C)C1 ZINC000248802353 371247170 /nfs/dbraw/zinc/24/71/70/371247170.db2.gz AHRMFSMKXNAWQV-BBRMVZONSA-N 2 1 274.412 2.059 20 30 CEEDMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(C#N)n(C)c2)[C@@H](C)C1 ZINC000248802353 371247177 /nfs/dbraw/zinc/24/71/77/371247177.db2.gz AHRMFSMKXNAWQV-BBRMVZONSA-N 2 1 274.412 2.059 20 30 CEEDMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(C#N)n(C)c2)[C@@H](C)C1 ZINC000248802353 371247184 /nfs/dbraw/zinc/24/71/84/371247184.db2.gz AHRMFSMKXNAWQV-BBRMVZONSA-N 2 1 274.412 2.059 20 30 CEEDMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(C#N)n(C)c2)[C@@H](C)C1 ZINC000248802353 371247189 /nfs/dbraw/zinc/24/71/89/371247189.db2.gz AHRMFSMKXNAWQV-BBRMVZONSA-N 2 1 274.412 2.059 20 30 CEEDMP CC(C)(C)NC(=[NH2+])NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000263247357 371932811 /nfs/dbraw/zinc/93/28/11/371932811.db2.gz NJRQNYFJBKSWJV-LBPRGKRZSA-N 2 1 278.400 2.119 20 30 CEEDMP C[NH+]=C(NCCC[N@H+]1CCCC[C@@H]1C)NCc1ccco1 ZINC000264079473 371965288 /nfs/dbraw/zinc/96/52/88/371965288.db2.gz UFOLBGLSVQMRPS-AWEZNQCLSA-N 2 1 292.427 2.209 20 30 CEEDMP Cc1[nH+]ccn1CCNC(=[NH2+])Nc1ccc(C)c(C)c1 ZINC000264088003 371967758 /nfs/dbraw/zinc/96/77/58/371967758.db2.gz KDDPZVUWXYCDLB-UHFFFAOYSA-N 2 1 271.368 2.235 20 30 CEEDMP CCc1cccc(NC(=[NH2+])NCCn2cc[nH+]c2C)c1 ZINC000264125889 371974542 /nfs/dbraw/zinc/97/45/42/371974542.db2.gz WGCOLCNEFHUFKE-UHFFFAOYSA-N 2 1 271.368 2.181 20 30 CEEDMP N#Cc1cccc(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)c1 ZINC000369598945 373466383 /nfs/dbraw/zinc/46/63/83/373466383.db2.gz GKZUDFYOXOIQLS-KZNAEPCWSA-N 2 1 281.403 2.474 20 30 CEEDMP N#Cc1cccc(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)c1 ZINC000369598945 373466387 /nfs/dbraw/zinc/46/63/87/373466387.db2.gz GKZUDFYOXOIQLS-KZNAEPCWSA-N 2 1 281.403 2.474 20 30 CEEDMP N#Cc1cccc(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)c1 ZINC000369598945 373466389 /nfs/dbraw/zinc/46/63/89/373466389.db2.gz GKZUDFYOXOIQLS-KZNAEPCWSA-N 2 1 281.403 2.474 20 30 CEEDMP N#Cc1cccc(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)c1 ZINC000369598945 373466391 /nfs/dbraw/zinc/46/63/91/373466391.db2.gz GKZUDFYOXOIQLS-KZNAEPCWSA-N 2 1 281.403 2.474 20 30 CEEDMP C=CCC[NH+](C)CC1(C[N@@H+](C)CCC=C)COC1 ZINC000276523436 374233957 /nfs/dbraw/zinc/23/39/57/374233957.db2.gz YZGRRQHGXGYBFN-UHFFFAOYSA-N 2 1 252.402 2.019 20 30 CEEDMP COc1cc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)ccc1C#N ZINC000290401942 376762511 /nfs/dbraw/zinc/76/25/11/376762511.db2.gz JLPSWNLZVOVZRW-IAGOWNOFSA-N 2 1 299.418 2.483 20 30 CEEDMP COc1cc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)ccc1C#N ZINC000290401942 376762518 /nfs/dbraw/zinc/76/25/18/376762518.db2.gz JLPSWNLZVOVZRW-IAGOWNOFSA-N 2 1 299.418 2.483 20 30 CEEDMP COc1cc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)ccc1C#N ZINC000290401942 376762524 /nfs/dbraw/zinc/76/25/24/376762524.db2.gz JLPSWNLZVOVZRW-IAGOWNOFSA-N 2 1 299.418 2.483 20 30 CEEDMP COc1cc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)ccc1C#N ZINC000290401942 376762532 /nfs/dbraw/zinc/76/25/32/376762532.db2.gz JLPSWNLZVOVZRW-IAGOWNOFSA-N 2 1 299.418 2.483 20 30 CEEDMP CCNC(=[NH2+])NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000290452053 376783232 /nfs/dbraw/zinc/78/32/32/376783232.db2.gz CRNGLYINIDJJGD-INIZCTEOSA-N 2 1 288.439 2.213 20 30 CEEDMP CCNC(=[NH2+])NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000290452057 376783253 /nfs/dbraw/zinc/78/32/53/376783253.db2.gz CRNGLYINIDJJGD-MRXNPFEDSA-N 2 1 288.439 2.213 20 30 CEEDMP C[N@H+]1CCC[C@]2(CCN(Cc3cccc(C#N)c3)C2)C1 ZINC000292823529 377298659 /nfs/dbraw/zinc/29/86/59/377298659.db2.gz ABYHSGJILLSTHH-KRWDZBQOSA-N 2 1 269.392 2.476 20 30 CEEDMP C[NH+]1CCC[C@]2(CC[N@H+](Cc3cccc(C#N)c3)C2)C1 ZINC000292823529 377298678 /nfs/dbraw/zinc/29/86/78/377298678.db2.gz ABYHSGJILLSTHH-KRWDZBQOSA-N 2 1 269.392 2.476 20 30 CEEDMP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3cccc(C#N)c3)C2)C1 ZINC000292823529 377298684 /nfs/dbraw/zinc/29/86/84/377298684.db2.gz ABYHSGJILLSTHH-KRWDZBQOSA-N 2 1 269.392 2.476 20 30 CEEDMP C=CC[NH+](C[C@H](O)C[N@H+](C)CC)CC1CCCCC1 ZINC000566686343 377765618 /nfs/dbraw/zinc/76/56/18/377765618.db2.gz KFRVMCANUZYYNB-MRXNPFEDSA-N 2 1 268.445 2.367 20 30 CEEDMP C=CC[N@@H+](C[C@H](O)C[NH+](C)CC)CC1CCCCC1 ZINC000566686343 377765628 /nfs/dbraw/zinc/76/56/28/377765628.db2.gz KFRVMCANUZYYNB-MRXNPFEDSA-N 2 1 268.445 2.367 20 30 CEEDMP C=CC[N@H+](C[C@H](O)C[NH+](C)CC)CC1CCCCC1 ZINC000566686343 377765638 /nfs/dbraw/zinc/76/56/38/377765638.db2.gz KFRVMCANUZYYNB-MRXNPFEDSA-N 2 1 268.445 2.367 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2C[C@H](C)O[C@@H]2C)CC1 ZINC000449119620 378197413 /nfs/dbraw/zinc/19/74/13/378197413.db2.gz AIWKIRGLMGQBMF-GZBFAFLISA-N 2 1 252.402 2.182 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+]CC(C)(C)COC)CC1 ZINC000494068855 381153794 /nfs/dbraw/zinc/15/37/94/381153794.db2.gz KXUCXTFTVSQHFW-UHFFFAOYSA-N 2 1 254.418 2.289 20 30 CEEDMP C=CC[NH+]1CCC([NH2+]CCCNC(=O)OC(C)(C)C)CC1 ZINC000496095451 381198458 /nfs/dbraw/zinc/19/84/58/381198458.db2.gz ZGHHGVVYAAFLOM-UHFFFAOYSA-N 2 1 297.443 2.141 20 30 CEEDMP CN(C)C(=[NH+]C[C@@H]1CCC[N@H+]1Cc1ccccc1)N(C)C ZINC000262528874 394619456 /nfs/dbraw/zinc/61/94/56/394619456.db2.gz MHXBGDHIPHCWGP-INIZCTEOSA-N 2 1 288.439 2.130 20 30 CEEDMP C#Cc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000289221489 395072442 /nfs/dbraw/zinc/07/24/42/395072442.db2.gz JJJFXMOUNLKRBH-IAGOWNOFSA-N 2 1 254.377 2.384 20 30 CEEDMP C#Cc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000289221489 395072444 /nfs/dbraw/zinc/07/24/44/395072444.db2.gz JJJFXMOUNLKRBH-IAGOWNOFSA-N 2 1 254.377 2.384 20 30 CEEDMP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000181488270 395216413 /nfs/dbraw/zinc/21/64/13/395216413.db2.gz NICXPOZJZYTREX-CQSZACIVSA-N 2 1 275.396 2.177 20 30 CEEDMP C=CCOCCC[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000352921951 395276974 /nfs/dbraw/zinc/27/69/74/395276974.db2.gz MOMMKSHTBRJQKP-YIONKMFJSA-N 2 1 252.402 2.136 20 30 CEEDMP C=CCOCCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000352921951 395276976 /nfs/dbraw/zinc/27/69/76/395276976.db2.gz MOMMKSHTBRJQKP-YIONKMFJSA-N 2 1 252.402 2.136 20 30 CEEDMP C=CCOCCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000352921951 395276979 /nfs/dbraw/zinc/27/69/79/395276979.db2.gz MOMMKSHTBRJQKP-YIONKMFJSA-N 2 1 252.402 2.136 20 30 CEEDMP C=CCc1cc(C[NH+]2CCC(C)([NH3+])CC2)cc(OC)c1O ZINC000647531286 395727069 /nfs/dbraw/zinc/72/70/69/395727069.db2.gz MARVVTNQJZFGSG-UHFFFAOYSA-N 2 1 290.407 2.443 20 30 CEEDMP C=CC[N@@H+](C[C@H](C[NH3+])c1ccc(OC)cc1)[C@H](C)COC ZINC000662299416 415760958 /nfs/dbraw/zinc/76/09/58/415760958.db2.gz PHJANLTZALTPPW-ZBFHGGJFSA-N 2 1 292.423 2.260 20 30 CEEDMP C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662313022 415772283 /nfs/dbraw/zinc/77/22/83/415772283.db2.gz GBQHKUMYKKNZGT-HZPDHXFCSA-N 2 1 293.455 2.026 20 30 CEEDMP CC[NH+](CC)[C@H](CNC(=[NH2+])N(C)C1CC1)c1ccccc1 ZINC000273388500 263016415 /nfs/dbraw/zinc/01/64/15/263016415.db2.gz ZNFMQVRCDKGSAR-MRXNPFEDSA-N 2 1 288.439 2.478 20 30 CEEDMP C=CCOc1ccccc1C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000414831182 263056456 /nfs/dbraw/zinc/05/64/56/263056456.db2.gz PQBRHQZXNHFDON-AWEZNQCLSA-N 2 1 260.381 2.341 20 30 CEEDMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCC[C@@H]3O[C@@H](CC#N)C[C@H]32)CC1 ZINC000366691514 263132429 /nfs/dbraw/zinc/13/24/29/263132429.db2.gz BSBROURUULZYLB-NXOAAHMSSA-N 2 1 289.423 2.078 20 30 CEEDMP C=CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000285864096 264564397 /nfs/dbraw/zinc/56/43/97/264564397.db2.gz IQDNNIWWOQWNNQ-SFHVURJKSA-N 2 1 285.435 2.065 20 30 CEEDMP C=CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000285864096 264564399 /nfs/dbraw/zinc/56/43/99/264564399.db2.gz IQDNNIWWOQWNNQ-SFHVURJKSA-N 2 1 285.435 2.065 20 30 CEEDMP C#CCC[N@@H+](C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000371195412 267368875 /nfs/dbraw/zinc/36/88/75/267368875.db2.gz MAYZLCHSTDOKRG-UHFFFAOYSA-N 2 1 272.396 2.017 20 30 CEEDMP C#CCC[N@H+](C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000371195412 267368879 /nfs/dbraw/zinc/36/88/79/267368879.db2.gz MAYZLCHSTDOKRG-UHFFFAOYSA-N 2 1 272.396 2.017 20 30 CEEDMP C=CCOc1cccc(C[NH2+]CCC[NH+]2CCC2)c1 ZINC000582976152 329297930 /nfs/dbraw/zinc/29/79/30/329297930.db2.gz VBHDPNWXHCDFKQ-UHFFFAOYSA-N 2 1 260.381 2.437 20 30 CEEDMP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000580312093 322310030 /nfs/dbraw/zinc/31/00/30/322310030.db2.gz JSPLGDHJQNHVOZ-WMZOPIPTSA-N 2 1 299.418 2.294 20 30 CEEDMP COc1ccc(NC(=[NH2+])NCC2([NH+](C)C)CC2)cc1Cl ZINC000263041574 330040291 /nfs/dbraw/zinc/04/02/91/330040291.db2.gz CJCDNQKSVZZCTH-UHFFFAOYSA-N 2 1 296.802 2.169 20 30 CEEDMP C[C@@H]([NH2+]CC1CCC(C#N)CC1)c1c[nH+]ccc1N ZINC000423106893 330170665 /nfs/dbraw/zinc/17/06/65/330170665.db2.gz ROYXZXZIVNUDJO-PNESKVBLSA-N 2 1 258.369 2.475 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000491210191 332166991 /nfs/dbraw/zinc/16/69/91/332166991.db2.gz QYGXADCWLBRFKL-IXDOHACOSA-N 2 1 278.440 2.126 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000491210191 332166992 /nfs/dbraw/zinc/16/69/92/332166992.db2.gz QYGXADCWLBRFKL-IXDOHACOSA-N 2 1 278.440 2.126 20 30 CEEDMP CCc1nc(C[NH+]2CCC(C[NH2+]CCC#N)CC2)cs1 ZINC000581603169 336110110 /nfs/dbraw/zinc/11/01/10/336110110.db2.gz NCBISAJEDZLBHB-UHFFFAOYSA-N 2 1 292.452 2.421 20 30 CEEDMP C=CCc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cc(OC)c1O ZINC000347044463 527238803 /nfs/dbraw/zinc/23/88/03/527238803.db2.gz NDLRSWUCVASPMS-SWLSCSKDSA-N 2 1 290.407 2.298 20 30 CEEDMP C=CCc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cc(OC)c1O ZINC000347044463 527238804 /nfs/dbraw/zinc/23/88/04/527238804.db2.gz NDLRSWUCVASPMS-SWLSCSKDSA-N 2 1 290.407 2.298 20 30 CEEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C ZINC000947615813 613740262 /nfs/dbraw/zinc/74/02/62/613740262.db2.gz LJSCMRKTCYQMJS-HUUCEWRRSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C[C@H]1C ZINC000947502996 613755770 /nfs/dbraw/zinc/75/57/70/613755770.db2.gz XTXFUGZLGIDGTR-UKRRQHHQSA-N 2 1 298.390 2.103 20 30 CEEDMP C=CC[C@@H]1CC[NH+]1CC1(C[N@@H+]2CC[C@H]2CC=C)COC1 ZINC000934462680 624509692 /nfs/dbraw/zinc/50/96/92/624509692.db2.gz ZZKNHYQPZZQXKL-HZPDHXFCSA-N 2 1 276.424 2.304 20 30 CEEDMP CC(C)CCC[C@H](C)NC(=[NH2+])NC[C@H]1CC[N@@H+](C)C1 ZINC000104172195 628680637 /nfs/dbraw/zinc/68/06/37/628680637.db2.gz WFFXYQSVXVGSEJ-UONOGXRCSA-N 2 1 268.449 2.057 20 30 CEEDMP CC(C)CNC(=[NH2+])NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000104178945 628695138 /nfs/dbraw/zinc/69/51/38/628695138.db2.gz RVLRRPPADMVOOS-ZDUSSCGKSA-N 2 1 268.449 2.057 20 30 CEEDMP C=CC[C@@H](C)[C@H](C)[NH2+]CCCCC[NH+]1CCNCC1 ZINC000925843688 628946185 /nfs/dbraw/zinc/94/61/85/628946185.db2.gz GXOFTYASIXHFHL-CVEARBPZSA-N 2 1 267.461 2.252 20 30 CEEDMP CC[C@@H](C)NC(=[NH2+])NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000261695342 629088859 /nfs/dbraw/zinc/08/88/59/629088859.db2.gz BUKOWGVKUKOAEZ-CHWSQXEVSA-N 2 1 268.449 2.200 20 30 CEEDMP C[C@@H](CNC(=[NH2+])N1CCC[C@@H](C)C1)[N@H+]1CCCC[C@@H]1C ZINC000261972325 629406781 /nfs/dbraw/zinc/40/67/81/629406781.db2.gz DRULYSZGLHZVTI-ILXRZTDVSA-N 2 1 280.460 2.296 20 30 CEEDMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=[NH2+])NC(C)(C)C)C1 ZINC000262026699 629450410 /nfs/dbraw/zinc/45/04/10/629450410.db2.gz ZNRYTRDJHIGCNB-GFCCVEGCSA-N 2 1 268.449 2.200 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1c2ccccc2C[C@H]1C ZINC000815652903 633043466 /nfs/dbraw/zinc/04/34/66/633043466.db2.gz ZSVGJCFWTHTVIK-RHSMWYFYSA-N 2 1 256.393 2.465 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1c2ccccc2C[C@H]1C ZINC000815652903 633043472 /nfs/dbraw/zinc/04/34/72/633043472.db2.gz ZSVGJCFWTHTVIK-RHSMWYFYSA-N 2 1 256.393 2.465 20 30 CEEDMP C=CCc1cc(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])cc(OC)c1OC ZINC000817908894 633767615 /nfs/dbraw/zinc/76/76/15/633767615.db2.gz IOZGHCKDMCQOIU-LSDHHAIUSA-N 2 1 290.407 2.402 20 30 CEEDMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2c(C)cc(C#N)cc2C)C1 ZINC000903422863 635123123 /nfs/dbraw/zinc/12/31/23/635123123.db2.gz KKGJJMAGWKXKKA-AWEZNQCLSA-N 2 1 257.381 2.216 20 30 CEEDMP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2cc(Cl)cc(C#N)c2)C1 ZINC000903447415 635133180 /nfs/dbraw/zinc/13/31/80/635133180.db2.gz RFZWBYYAKZCINB-ZWNOBZJWSA-N 2 1 263.772 2.381 20 30 CEEDMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(C#N)c2)C1 ZINC000903447415 635133182 /nfs/dbraw/zinc/13/31/82/635133182.db2.gz RFZWBYYAKZCINB-ZWNOBZJWSA-N 2 1 263.772 2.381 20 30 CEEDMP C=CC[C@H]1CCC[N@@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903765681 635258558 /nfs/dbraw/zinc/25/85/58/635258558.db2.gz KAEYMSAXTYNTQJ-HOTGVXAUSA-N 2 1 278.440 2.433 20 30 CEEDMP C[N@@H+](Cc1cc(C#N)cs1)C[C@H]1CCCC[NH2+]C1 ZINC000903825615 635293200 /nfs/dbraw/zinc/29/32/00/635293200.db2.gz BDIOBEDISQBINT-LBPRGKRZSA-N 2 1 263.410 2.441 20 30 CEEDMP C[N@H+](Cc1cc(C#N)cs1)C[C@H]1CCCC[NH2+]C1 ZINC000903825615 635293206 /nfs/dbraw/zinc/29/32/06/635293206.db2.gz BDIOBEDISQBINT-LBPRGKRZSA-N 2 1 263.410 2.441 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCCc2ccccc2C1 ZINC000834815903 637958731 /nfs/dbraw/zinc/95/87/31/637958731.db2.gz ZMYMFQROSPEDEN-GOSISDBHSA-N 2 1 270.420 2.479 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCCc2ccccc2C1 ZINC000834815903 637958735 /nfs/dbraw/zinc/95/87/35/637958735.db2.gz ZMYMFQROSPEDEN-GOSISDBHSA-N 2 1 270.420 2.479 20 30 CEEDMP C=CCNC(NC[C@H]1CC[N@H+](CCC)C1)=[NH+]C(C)(C)C ZINC000912497565 638720093 /nfs/dbraw/zinc/72/00/93/638720093.db2.gz VGCNRKBKEVJDQJ-CQSZACIVSA-N 2 1 280.460 2.238 20 30 CEEDMP C#CCCCCCC[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000877022181 639460609 /nfs/dbraw/zinc/46/06/09/639460609.db2.gz IRTFRIUFIPYKKK-HZPDHXFCSA-N 2 1 264.413 2.023 20 30 CEEDMP C#CCCCCCC[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000877022181 639460613 /nfs/dbraw/zinc/46/06/13/639460613.db2.gz IRTFRIUFIPYKKK-HZPDHXFCSA-N 2 1 264.413 2.023 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)C[C@@H]2CCOC2)CC1 ZINC000765834928 640621317 /nfs/dbraw/zinc/62/13/17/640621317.db2.gz KPCIBCLREAYJCA-GJZGRUSLSA-N 2 1 266.429 2.432 20 30 CEEDMP C(C[NH+]1CCCCC1)NN=C1CCC[N@H+]2CCCC[C@@H]12 ZINC000848402811 641978561 /nfs/dbraw/zinc/97/85/61/641978561.db2.gz IEWDFVGJKBLHHC-INIZCTEOSA-N 2 1 278.444 2.066 20 30 CEEDMP CCc1ccc([C@H](CNC(NC)=[NH+]C)[NH+](CC)CC)cc1 ZINC000849103074 642262254 /nfs/dbraw/zinc/26/22/54/642262254.db2.gz FLWBUIYYJCIQOQ-INIZCTEOSA-N 2 1 290.455 2.427 20 30 CEEDMP C#CCOCC[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000852041328 643275711 /nfs/dbraw/zinc/27/57/11/643275711.db2.gz SAHGUIGFQYIMLM-LJQANCHMSA-N 2 1 298.430 2.234 20 30 CEEDMP CCCCCCC[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000852708572 643519996 /nfs/dbraw/zinc/51/99/96/643519996.db2.gz FEZCCKDTUZIDQO-MRXNPFEDSA-N 2 1 268.445 2.488 20 30 CEEDMP CC[N@@H+](C[C@@H](O)c1ccc(C#N)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000923335078 643666970 /nfs/dbraw/zinc/66/69/70/643666970.db2.gz IIHIHEDLTPKBIL-IAGOWNOFSA-N 2 1 287.407 2.056 20 30 CEEDMP C=CCC[C@H](O)C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000923358797 643677413 /nfs/dbraw/zinc/67/74/13/643677413.db2.gz KOHQZIISLSAEJX-JYJNAYRXSA-N 2 1 266.429 2.025 20 30 CEEDMP N#Cc1ccc([C@@H](O)C[N@H+]2CCCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000923428252 643707539 /nfs/dbraw/zinc/70/75/39/643707539.db2.gz NZOQXPRJXQKEMN-ZWKOTPCHSA-N 2 1 299.418 2.057 20 30 CEEDMP C#Cc1ccc(C[NH+]2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)cc1 ZINC000877741721 650886398 /nfs/dbraw/zinc/88/63/98/650886398.db2.gz NIDCLYWMGNLQEZ-DLBZAZTESA-N 2 1 254.377 2.194 20 30 CEEDMP C#Cc1ccc(C[NH+]2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)cc1 ZINC000877741721 650886401 /nfs/dbraw/zinc/88/64/01/650886401.db2.gz NIDCLYWMGNLQEZ-DLBZAZTESA-N 2 1 254.377 2.194 20 30 CEEDMP C#Cc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)cc1 ZINC000877741721 650886405 /nfs/dbraw/zinc/88/64/05/650886405.db2.gz NIDCLYWMGNLQEZ-DLBZAZTESA-N 2 1 254.377 2.194 20 30 CEEDMP C#Cc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)cc1 ZINC000877741721 650886408 /nfs/dbraw/zinc/88/64/08/650886408.db2.gz NIDCLYWMGNLQEZ-DLBZAZTESA-N 2 1 254.377 2.194 20 30 CEEDMP C#CC[C@H]1CC[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000862442718 646461382 /nfs/dbraw/zinc/46/13/82/646461382.db2.gz GGKDNCYWLFKZJP-INIZCTEOSA-N 2 1 286.419 2.472 20 30 CEEDMP C=CCC[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000786577721 648028547 /nfs/dbraw/zinc/02/85/47/648028547.db2.gz FESQQPGPONGKSW-UHFFFAOYSA-N 2 1 273.424 2.446 20 30 CEEDMP C#CCCCC[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000872203551 649314168 /nfs/dbraw/zinc/31/41/68/649314168.db2.gz ZUGAGOLUYVNDGG-GOSISDBHSA-N 2 1 286.419 2.017 20 30 CEEDMP C#CCCCC[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000872203551 649314171 /nfs/dbraw/zinc/31/41/71/649314171.db2.gz ZUGAGOLUYVNDGG-GOSISDBHSA-N 2 1 286.419 2.017 20 30 CEEDMP CC[C@H]([NH2+][C@H]1Cc2ccc(C#N)cc2C1)[C@@H]1CCC[NH2+]1 ZINC000873277057 649622877 /nfs/dbraw/zinc/62/28/77/649622877.db2.gz ZLMZIXJLLCUTRY-ULQDDVLXSA-N 2 1 269.392 2.146 20 30 CEEDMP C#CCCCCC[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000878324329 651067690 /nfs/dbraw/zinc/06/76/90/651067690.db2.gz LDFFICHYIFAENZ-QZTJIDSGSA-N 2 1 291.483 2.138 20 30 CEEDMP C[N@@H+]1CC[C@H]2C[NH+](CCCOc3ccc(C#N)cc3)CC[C@@H]21 ZINC000879572561 651323882 /nfs/dbraw/zinc/32/38/82/651323882.db2.gz YXEFIWACUJCUIU-WMZOPIPTSA-N 2 1 299.418 2.353 20 30 CEEDMP C[N@H+]1CC[C@H]2C[NH+](CCCOc3ccc(C#N)cc3)CC[C@@H]21 ZINC000879572561 651323884 /nfs/dbraw/zinc/32/38/84/651323884.db2.gz YXEFIWACUJCUIU-WMZOPIPTSA-N 2 1 299.418 2.353 20 30 CEEDMP C[NH+]1CC[C@H]2C[N@H+](CCCOc3ccc(C#N)cc3)CC[C@@H]21 ZINC000879572561 651323886 /nfs/dbraw/zinc/32/38/86/651323886.db2.gz YXEFIWACUJCUIU-WMZOPIPTSA-N 2 1 299.418 2.353 20 30 CEEDMP C[NH+]1CC[C@H]2C[N@@H+](CCCOc3ccc(C#N)cc3)CC[C@@H]21 ZINC000879572561 651323887 /nfs/dbraw/zinc/32/38/87/651323887.db2.gz YXEFIWACUJCUIU-WMZOPIPTSA-N 2 1 299.418 2.353 20 30 CEEDMP C#CC[C@H](CO)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000883125781 652370545 /nfs/dbraw/zinc/37/05/45/652370545.db2.gz UMCXHLGRNAUEPG-QZTJIDSGSA-N 2 1 298.430 2.157 20 30 CEEDMP C#CC[C@H](CO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000883125781 652370548 /nfs/dbraw/zinc/37/05/48/652370548.db2.gz UMCXHLGRNAUEPG-QZTJIDSGSA-N 2 1 298.430 2.157 20 30 CEEDMP C=CCC[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)[C@H]1CCCO1 ZINC000883188014 652393504 /nfs/dbraw/zinc/39/35/04/652393504.db2.gz BFBHCIYWWQDQJB-HRCADAONSA-N 2 1 266.429 2.432 20 30 CEEDMP C=C(C)C[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001271665444 806016008 /nfs/dbraw/zinc/01/60/08/806016008.db2.gz LCAFOKKRQAYMAA-JKSUJKDBSA-N 2 1 295.471 2.121 20 30 CEEDMP C=C(C)C[N@H+](CCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)C1CC1 ZINC001266621417 802789208 /nfs/dbraw/zinc/78/92/08/802789208.db2.gz DLWHKNZDIDCCMR-GJZGRUSLSA-N 2 1 293.455 2.016 20 30 CEEDMP C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001046449419 811754416 /nfs/dbraw/zinc/75/44/16/811754416.db2.gz DKHIRJVNRZDURM-QGZVFWFLSA-N 2 1 298.390 2.105 20 30 CEEDMP C=CCC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001027918147 804341563 /nfs/dbraw/zinc/34/15/63/804341563.db2.gz KQUPUYDNVNKYPO-HZPDHXFCSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CCC ZINC001027918147 804341572 /nfs/dbraw/zinc/34/15/72/804341572.db2.gz KQUPUYDNVNKYPO-HZPDHXFCSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CCC ZINC001027918147 804341581 /nfs/dbraw/zinc/34/15/81/804341581.db2.gz KQUPUYDNVNKYPO-HZPDHXFCSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CCC)C[C@H]1CC ZINC001269184003 805072811 /nfs/dbraw/zinc/07/28/11/805072811.db2.gz XGCUXIKAIIVLRC-HZPDHXFCSA-N 2 1 295.471 2.121 20 30 CEEDMP C=C(C)CC[NH+]1CCC(C)(NC(=O)CC[N@H+](C)CC)CC1 ZINC001270255144 805383233 /nfs/dbraw/zinc/38/32/33/805383233.db2.gz DOLILFGLUXANRL-UHFFFAOYSA-N 2 1 295.471 2.265 20 30 CEEDMP SCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167971556 805499448 /nfs/dbraw/zinc/49/94/48/805499448.db2.gz YIRHFZVENLGTEA-AGUYFDCRSA-N 2 1 254.443 2.301 20 30 CEEDMP C=CCC[NH+]1CC[C@@]2(NC(=O)C[N@H+](C)C(C)C)CCC[C@H]12 ZINC001284070644 807063249 /nfs/dbraw/zinc/06/32/49/807063249.db2.gz JNXVZIPOIFARHU-RDJZCZTQSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CCC[N@@H+]1CC[C@@]2(NC(=O)C[NH+](C)C(C)C)CCC[C@H]12 ZINC001284070644 807063256 /nfs/dbraw/zinc/06/32/56/807063256.db2.gz JNXVZIPOIFARHU-RDJZCZTQSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CCC[N@H+]1CC[C@@]2(NC(=O)C[NH+](C)C(C)C)CCC[C@H]12 ZINC001284070644 807063264 /nfs/dbraw/zinc/06/32/64/807063264.db2.gz JNXVZIPOIFARHU-RDJZCZTQSA-N 2 1 293.455 2.016 20 30 CEEDMP C=C[C@H](CO)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716635987 815137239 /nfs/dbraw/zinc/13/72/39/815137239.db2.gz HSYOPFHAGZZDMC-MLHJIOFPSA-N 2 1 286.419 2.176 20 30 CEEDMP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001171539301 815187189 /nfs/dbraw/zinc/18/71/89/815187189.db2.gz RUYVMXHVWSUEFH-HZPDHXFCSA-N 2 1 295.471 2.311 20 30 CEEDMP C=CC[NH+]1CCN([C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC001171758487 815225684 /nfs/dbraw/zinc/22/56/84/815225684.db2.gz XJBJAUSAIUNNBL-HKUYNNGSSA-N 2 1 299.462 2.453 20 30 CEEDMP C=CC[NH+]1CCN([C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC001171758487 815225686 /nfs/dbraw/zinc/22/56/86/815225686.db2.gz XJBJAUSAIUNNBL-HKUYNNGSSA-N 2 1 299.462 2.453 20 30 CEEDMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC(=[NH2+])c1ccc(C#N)cc1)C2 ZINC001172108532 815298692 /nfs/dbraw/zinc/29/86/92/815298692.db2.gz XITZUYWKLREORR-MUJYYYPQSA-N 2 1 282.391 2.279 20 30 CEEDMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccc(C#N)nc1)C2 ZINC001172112167 815301542 /nfs/dbraw/zinc/30/15/42/815301542.db2.gz SXFQJBVIAHJQKZ-PHZGNYQRSA-N 2 1 270.380 2.058 20 30 CEEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001015033106 810255280 /nfs/dbraw/zinc/25/52/80/810255280.db2.gz NPAYSWOEFCAJAS-CQSZACIVSA-N 2 1 298.390 2.023 20 30 CEEDMP Cc1c[nH+]c(CC[NH3+])n1[C@@H](C)Cc1ccc(C#N)cc1 ZINC001172295075 815386815 /nfs/dbraw/zinc/38/68/15/815386815.db2.gz PHYXYTJHKUHDSB-LBPRGKRZSA-N 2 1 268.364 2.368 20 30 CEEDMP C=C(C)CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001039051683 810975485 /nfs/dbraw/zinc/97/54/85/810975485.db2.gz XTHCXZPZQGLPDK-CVEARBPZSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001039051683 810975490 /nfs/dbraw/zinc/97/54/90/810975490.db2.gz XTHCXZPZQGLPDK-CVEARBPZSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001039051683 810975495 /nfs/dbraw/zinc/97/54/95/810975495.db2.gz XTHCXZPZQGLPDK-CVEARBPZSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)CCC)C2 ZINC001110016468 811984583 /nfs/dbraw/zinc/98/45/83/811984583.db2.gz POSPCICUCVILKO-PMPSAXMXSA-N 2 1 293.455 2.016 20 30 CEEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)CCC)C2 ZINC001110016468 811984591 /nfs/dbraw/zinc/98/45/91/811984591.db2.gz POSPCICUCVILKO-PMPSAXMXSA-N 2 1 293.455 2.016 20 30 CEEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)CCC)C2 ZINC001110016468 811984599 /nfs/dbraw/zinc/98/45/99/811984599.db2.gz POSPCICUCVILKO-PMPSAXMXSA-N 2 1 293.455 2.016 20 30 CEEDMP C[N@H+](Cc1cc(C#N)ccc1F)CC1CC[NH+](C)CC1 ZINC000063120757 812335597 /nfs/dbraw/zinc/33/55/97/812335597.db2.gz OWRSEEAYVULRAD-UHFFFAOYSA-N 2 1 275.371 2.471 20 30 CEEDMP C=CCC[N@@H+]1C[C@H](NC(=O)C[NH+](C)C2CCC2)CC[C@H]1C ZINC001132111726 812790112 /nfs/dbraw/zinc/79/01/12/812790112.db2.gz WVQSJASKKMZOJH-HUUCEWRRSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CCC[NH+]1C[C@H](NC(=O)C[N@H+](C)C2CCC2)CC[C@H]1C ZINC001132111726 812790116 /nfs/dbraw/zinc/79/01/16/812790116.db2.gz WVQSJASKKMZOJH-HUUCEWRRSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CCC[NH+]1C[C@H](NC(=O)C[N@@H+](C)C2CCC2)CC[C@H]1C ZINC001132111726 812790119 /nfs/dbraw/zinc/79/01/19/812790119.db2.gz WVQSJASKKMZOJH-HUUCEWRRSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CCCC[N@H+]1C[C@H](NC(=O)C[NH+](CC)CC)CC[C@H]1C ZINC001132377741 812838539 /nfs/dbraw/zinc/83/85/39/812838539.db2.gz ZUVWHLDLQZMZQD-HZPDHXFCSA-N 2 1 295.471 2.264 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(OC)c(Cl)c1 ZINC000392773624 813307004 /nfs/dbraw/zinc/30/70/04/813307004.db2.gz LLLAJEDNEKYDFV-UHFFFAOYSA-N 2 1 280.799 2.393 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(OC)c(Cl)c1 ZINC000392773624 813307010 /nfs/dbraw/zinc/30/70/10/813307010.db2.gz LLLAJEDNEKYDFV-UHFFFAOYSA-N 2 1 280.799 2.393 20 30 CEEDMP C=CCC[C@H](C)[NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001134762996 813321842 /nfs/dbraw/zinc/32/18/42/813321842.db2.gz JWEUXNDZHALQTC-JKSUJKDBSA-N 2 1 295.471 2.310 20 30 CEEDMP C=CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C(C)(C)[N@H+](C)CC ZINC001134772904 813323385 /nfs/dbraw/zinc/32/33/85/813323385.db2.gz IYWFVKNPIPLTLY-ZIAGYGMSSA-N 2 1 283.460 2.166 20 30 CEEDMP C=CCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001135009685 813351822 /nfs/dbraw/zinc/35/18/22/813351822.db2.gz ZMSMASHBXKXCQU-UONOGXRCSA-N 2 1 292.427 2.031 20 30 CEEDMP C=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001135477668 813446177 /nfs/dbraw/zinc/44/61/77/813446177.db2.gz VVNXLZGOZNWNJD-ZIAGYGMSSA-N 2 1 283.460 2.023 20 30 CEEDMP CCCCCCC[C@H](CC)[NH2+]C[C@H]1C[NH2+]CCN1 ZINC001246488556 813863737 /nfs/dbraw/zinc/86/37/37/813863737.db2.gz KJPUKSNAXJVYTN-LSDHHAIUSA-N 2 1 255.450 2.277 20 30 CEEDMP Cc1cnccc1O[C@H]1CC[N@H+](Cc2ccc(C#N)cn2)C1 ZINC001144169844 813979981 /nfs/dbraw/zinc/97/99/81/813979981.db2.gz ZOPKSDWCKAYNHX-INIZCTEOSA-N 2 1 294.358 2.310 20 30 CEEDMP Cc1cnccc1O[C@H]1CC[N@@H+](Cc2ccc(C#N)cn2)C1 ZINC001144169844 813979988 /nfs/dbraw/zinc/97/99/88/813979988.db2.gz ZOPKSDWCKAYNHX-INIZCTEOSA-N 2 1 294.358 2.310 20 30 CEEDMP C#Cc1ccc(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)cc1 ZINC001144569101 814118197 /nfs/dbraw/zinc/11/81/97/814118197.db2.gz JIJNSJQCUKVPPJ-SJORKVTESA-N 2 1 254.377 2.051 20 30 CEEDMP C#Cc1ccc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)cc1 ZINC001144569101 814118201 /nfs/dbraw/zinc/11/82/01/814118201.db2.gz JIJNSJQCUKVPPJ-SJORKVTESA-N 2 1 254.377 2.051 20 30 CEEDMP C#Cc1ccc(C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)cc1 ZINC001144569101 814118207 /nfs/dbraw/zinc/11/82/07/814118207.db2.gz JIJNSJQCUKVPPJ-SJORKVTESA-N 2 1 254.377 2.051 20 30 CEEDMP COc1ccc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)c(C#N)c1 ZINC001137704329 815667856 /nfs/dbraw/zinc/66/78/56/815667856.db2.gz AGHVZJPNKURSCZ-UHFFFAOYSA-N 2 1 299.418 2.485 20 30 CEEDMP CC[NH+]1C[C@H]2C[NH+](Cc3c[nH]c4cc(C#N)ccc34)C[C@@H]2C1 ZINC001142931581 816759370 /nfs/dbraw/zinc/75/93/70/816759370.db2.gz RZGWBENMUUXKSR-HOTGVXAUSA-N 2 1 294.402 2.423 20 30 CEEDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CCC(C)(C)C#N ZINC000345734979 282215212 /nfs/dbraw/zinc/21/52/12/282215212.db2.gz ZJMGHFZTVICMAD-KFWWJZLASA-N 2 1 279.428 2.110 20 30 CEEDMP C[C@@H]1CCCC[N@H+]1CCCCNC(=[NH2+])Nc1ccccn1 ZINC000170903774 344492612 /nfs/dbraw/zinc/49/26/12/344492612.db2.gz BDBNQAWBZSXBOE-CQSZACIVSA-N 2 1 289.427 2.463 20 30 CEEDMP C[C@H](CCC#N)C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000602486725 347056264 /nfs/dbraw/zinc/05/62/64/347056264.db2.gz OYSSRKVKQLFDIL-LVQVYYBASA-N 2 1 279.428 2.110 20 30 CEEDMP C[C@@H](CCC#N)C[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000602541837 347071042 /nfs/dbraw/zinc/07/10/42/347071042.db2.gz RDDLPGNSFCHHHJ-HNNXBMFYSA-N 2 1 279.428 2.161 20 30 CEEDMP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]CC1([NH3+])CCC1 ZINC000591578216 345265960 /nfs/dbraw/zinc/26/59/60/345265960.db2.gz ZHZDXPWTHFDGNX-OAHLLOKOSA-N 2 1 255.365 2.407 20 30 CEEDMP N#Cc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc1 ZINC000593736974 345529988 /nfs/dbraw/zinc/52/99/88/345529988.db2.gz PKIUGQVGLJUBGC-KSZLIROESA-N 2 1 299.418 2.277 20 30 CEEDMP N#CC1CCC(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000594504649 345639515 /nfs/dbraw/zinc/63/95/15/345639515.db2.gz QSEJRVRQWASBGO-DQPZFDDXSA-N 2 1 291.439 2.159 20 30 CEEDMP N#CC[C@@H]1CC[C@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000594506673 345640361 /nfs/dbraw/zinc/64/03/61/345640361.db2.gz WHBNDRQWALRLNJ-XIRDDKMYSA-N 2 1 291.439 2.302 20 30 CEEDMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CCc2ccc(C#N)cc2)C1 ZINC000595889646 345907126 /nfs/dbraw/zinc/90/71/26/345907126.db2.gz AQWYQRFXEHZOIQ-XJKSGUPXSA-N 2 1 257.381 2.160 20 30 CEEDMP C[C@H]([NH2+]CCc1ccc(C#N)cc1)c1c[nH+]ccc1N ZINC000596652427 346072328 /nfs/dbraw/zinc/07/23/28/346072328.db2.gz UHDSGOFYAKWFDO-LBPRGKRZSA-N 2 1 266.348 2.259 20 30 CEEDMP C[C@H]1CC[N@@H+](CC2(CC#N)CC2)C[C@H]1n1ccnc1 ZINC000602794341 347200946 /nfs/dbraw/zinc/20/09/46/347200946.db2.gz ACQSENQYVWUSAW-UONOGXRCSA-N 2 1 258.369 2.460 20 30 CEEDMP C=CCCC[N@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629560535 351414680 /nfs/dbraw/zinc/41/46/80/351414680.db2.gz FOGJBVBLNYRCDX-QWRGUYRKSA-N 2 1 250.308 2.412 20 30 CEEDMP C=CC[N@H+](CCCN1CC[NH+](C(C)C)CC1)C1CC1 ZINC000337288401 366127311 /nfs/dbraw/zinc/12/73/11/366127311.db2.gz AZZMWIZFHXXDOK-UHFFFAOYSA-N 2 1 265.445 2.053 20 30 CEEDMP C=C(C)CN1CCC([NH2+]C2CC[NH+](CCC)CC2)CC1 ZINC000152930645 366721470 /nfs/dbraw/zinc/72/14/70/366721470.db2.gz OHPXFLOJJWJMRM-UHFFFAOYSA-N 2 1 279.472 2.491 20 30 CEEDMP COc1ccc(C[NH2+]CCC[NH+]2CCCC2)cc1C#N ZINC000087822544 363871105 /nfs/dbraw/zinc/87/11/05/363871105.db2.gz GBWJKYYQYMQBDO-UHFFFAOYSA-N 2 1 273.380 2.142 20 30 CEEDMP COc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)ccc1C#N ZINC000234944785 370550799 /nfs/dbraw/zinc/55/07/99/370550799.db2.gz PXOPYHDWFBSOEN-SWLSCSKDSA-N 2 1 273.380 2.139 20 30 CEEDMP COc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1C#N ZINC000234944785 370550803 /nfs/dbraw/zinc/55/08/03/370550803.db2.gz PXOPYHDWFBSOEN-SWLSCSKDSA-N 2 1 273.380 2.139 20 30 CEEDMP C=CC[NH+]1CCC([NH2+]CCC2CCOCC2)CC1 ZINC000638524904 370590185 /nfs/dbraw/zinc/59/01/85/370590185.db2.gz VBPNPNYHGVPEDE-UHFFFAOYSA-N 2 1 252.402 2.043 20 30 CEEDMP C=C(CC)C[N@@H+]1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC000358501303 371092858 /nfs/dbraw/zinc/09/28/58/371092858.db2.gz SFBLYUBVTIANBH-OAHLLOKOSA-N 2 1 254.418 2.385 20 30 CEEDMP C=CCOCC[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000639984685 371712637 /nfs/dbraw/zinc/71/26/37/371712637.db2.gz XSKZSDCVCNCAFC-UHFFFAOYSA-N 2 1 252.402 2.139 20 30 CEEDMP N#C[C@H]1CCC[C@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)C1 ZINC000361458228 371855116 /nfs/dbraw/zinc/85/51/16/371855116.db2.gz FKOCUEQMQGITCF-HOTGVXAUSA-N 2 1 291.439 2.303 20 30 CEEDMP CCc1cccc(NC(=[NH2+])NC[C@H]2CCC[N@@H+]2CC)c1 ZINC000264090210 371967547 /nfs/dbraw/zinc/96/75/47/371967547.db2.gz KQDGGIGTNIFJSJ-OAHLLOKOSA-N 2 1 274.412 2.460 20 30 CEEDMP CC(C)c1cccc(NC(=[NH2+])NC[C@@H]2CC[N@@H+](C)C2)c1 ZINC000264133261 371975681 /nfs/dbraw/zinc/97/56/81/371975681.db2.gz YQYQTQZRGJONNB-ZDUSSCGKSA-N 2 1 274.412 2.488 20 30 CEEDMP C=C(C)[C@H]1OCC[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000367204955 373141652 /nfs/dbraw/zinc/14/16/52/373141652.db2.gz FTDXCODLICDYCF-MOTUXRJWSA-N 2 1 264.413 2.182 20 30 CEEDMP COc1cc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)ccc1C#N ZINC000290401956 376762180 /nfs/dbraw/zinc/76/21/80/376762180.db2.gz JLPSWNLZVOVZRW-IRXDYDNUSA-N 2 1 299.418 2.483 20 30 CEEDMP COc1cc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)ccc1C#N ZINC000290401956 376762186 /nfs/dbraw/zinc/76/21/86/376762186.db2.gz JLPSWNLZVOVZRW-IRXDYDNUSA-N 2 1 299.418 2.483 20 30 CEEDMP COc1cc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)ccc1C#N ZINC000290401956 376762191 /nfs/dbraw/zinc/76/21/91/376762191.db2.gz JLPSWNLZVOVZRW-IRXDYDNUSA-N 2 1 299.418 2.483 20 30 CEEDMP COc1cc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)ccc1C#N ZINC000290401956 376762198 /nfs/dbraw/zinc/76/21/98/376762198.db2.gz JLPSWNLZVOVZRW-IRXDYDNUSA-N 2 1 299.418 2.483 20 30 CEEDMP C[N@H+]1CC[C@H]2CCN(Cc3cc(C#N)cs3)[C@@H]2C1 ZINC000334398310 380355033 /nfs/dbraw/zinc/35/50/33/380355033.db2.gz LXWFDCNRVOPZSD-GXTWGEPZSA-N 2 1 261.394 2.146 20 30 CEEDMP Cc1ccc([C@@H](CNC(=[NH2+])N(C)C2CC2)[NH+]2CCCC2)o1 ZINC000262194109 394614367 /nfs/dbraw/zinc/61/43/67/394614367.db2.gz GKEANOFPAOSJDR-CQSZACIVSA-N 2 1 290.411 2.134 20 30 CEEDMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCSCc1ccccc1C#N ZINC000422989493 394875277 /nfs/dbraw/zinc/87/52/77/394875277.db2.gz LYXBTTHDGJDLNE-CJNGLKHVSA-N 2 1 289.448 2.379 20 30 CEEDMP CNC(NC[C@@H]1CC[N@@H+](C)[C@@H]1c1cccc(Cl)c1)=[NH+]C ZINC000363585593 394880926 /nfs/dbraw/zinc/88/09/26/394880926.db2.gz JQDHGNIEFZQZSV-GXTWGEPZSA-N 2 1 294.830 2.128 20 30 CEEDMP C=CCCOCC[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000362309843 394852561 /nfs/dbraw/zinc/85/25/61/394852561.db2.gz NYKBQXMUQWFGOI-YESZJQIVSA-N 2 1 296.455 2.058 20 30 CEEDMP C=CCOCC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000338999679 394935693 /nfs/dbraw/zinc/93/56/93/394935693.db2.gz FXKTWCNZAGFOED-OAHLLOKOSA-N 2 1 252.402 2.139 20 30 CEEDMP C[C@H]([NH2+]CC#CC[NH2+][C@@H](C)c1ccccn1)c1ccccn1 ZINC000284143343 394941999 /nfs/dbraw/zinc/94/19/99/394941999.db2.gz OYFAFZDBMBKGJR-HOTGVXAUSA-N 2 1 294.402 2.481 20 30 CEEDMP C[C@H]1CC[N@@H+](CCCSCC#N)C[C@@H]1n1ccnc1 ZINC000136083868 394969287 /nfs/dbraw/zinc/96/92/87/394969287.db2.gz TXTCJIAOXDORRU-KBPBESRZSA-N 2 1 278.425 2.413 20 30 CEEDMP C#Cc1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000289267024 395073560 /nfs/dbraw/zinc/07/35/60/395073560.db2.gz NCSJDGTYILEJDB-UHFFFAOYSA-N 2 1 254.377 2.384 20 30 CEEDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CCCC(C)(C)C#N ZINC000374421772 395081714 /nfs/dbraw/zinc/08/17/14/395081714.db2.gz PLGOLLANCHKGLF-OAGGEKHMSA-N 2 1 293.455 2.500 20 30 CEEDMP C=C(C[NH2+]C1CC[NH+](CCOC)CC1)c1ccccc1 ZINC000346774681 395105524 /nfs/dbraw/zinc/10/55/24/395105524.db2.gz GFSBADGEWAWSMR-UHFFFAOYSA-N 2 1 274.408 2.400 20 30 CEEDMP C[N@H+]1CC[C@H](CNC(=[NH2+])Nc2cccc3c2CCCC3)C1 ZINC000178421883 395167191 /nfs/dbraw/zinc/16/71/91/395167191.db2.gz NPXZJRVCCLLIQG-CYBMUJFWSA-N 2 1 286.423 2.244 20 30 CEEDMP C=CCCCCC[N@H+](C)CC(=O)NC1CC[NH+](CC)CC1 ZINC000150890770 400281349 /nfs/dbraw/zinc/28/13/49/400281349.db2.gz KGYYUGNQVGETOO-UHFFFAOYSA-N 2 1 295.471 2.265 20 30 CEEDMP CC[N@H+](C)C[C@@H]1CC[NH+](CCOc2ccccc2C#N)C1 ZINC000173902212 165088423 /nfs/dbraw/zinc/08/84/23/165088423.db2.gz BCUPKQCGIKHIJN-HNNXBMFYSA-N 2 1 287.407 2.211 20 30 CEEDMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCOc2ccccc2C#N)C1 ZINC000173902212 165088425 /nfs/dbraw/zinc/08/84/25/165088425.db2.gz BCUPKQCGIKHIJN-HNNXBMFYSA-N 2 1 287.407 2.211 20 30 CEEDMP CC[NH+](C)C[C@@H]1CC[N@H+](CCOc2ccccc2C#N)C1 ZINC000173902212 165088428 /nfs/dbraw/zinc/08/84/28/165088428.db2.gz BCUPKQCGIKHIJN-HNNXBMFYSA-N 2 1 287.407 2.211 20 30 CEEDMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCOc2ccccc2C#N)C1 ZINC000173902212 165088431 /nfs/dbraw/zinc/08/84/31/165088431.db2.gz BCUPKQCGIKHIJN-HNNXBMFYSA-N 2 1 287.407 2.211 20 30 CEEDMP C[C@H]1C[C@H]([NH2+]CCOc2ccc(C#N)cc2)CC[N@@H+]1C ZINC000181156337 165334512 /nfs/dbraw/zinc/33/45/12/165334512.db2.gz FYJANMAHOSHNEZ-DZGCQCFKSA-N 2 1 273.380 2.009 20 30 CEEDMP C[C@H]1C[C@H]([NH2+]CCOc2ccc(C#N)cc2)CC[N@H+]1C ZINC000181156337 165334515 /nfs/dbraw/zinc/33/45/15/165334515.db2.gz FYJANMAHOSHNEZ-DZGCQCFKSA-N 2 1 273.380 2.009 20 30 CEEDMP C[N@H+](C[C@H](O)c1ccc(C#N)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285610770 196342845 /nfs/dbraw/zinc/34/28/45/196342845.db2.gz VVIDLOPIVFRTCJ-WFFDWFOESA-N 2 1 299.418 2.149 20 30 CEEDMP C[N@@H+](C[C@H](O)c1ccc(C#N)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285610770 196342846 /nfs/dbraw/zinc/34/28/46/196342846.db2.gz VVIDLOPIVFRTCJ-WFFDWFOESA-N 2 1 299.418 2.149 20 30 CEEDMP C[NH+](C[C@H](O)c1ccc(C#N)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285610770 196342848 /nfs/dbraw/zinc/34/28/48/196342848.db2.gz VVIDLOPIVFRTCJ-WFFDWFOESA-N 2 1 299.418 2.149 20 30 CEEDMP C[NH+](C[C@H](O)c1ccc(C#N)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285610770 196342849 /nfs/dbraw/zinc/34/28/49/196342849.db2.gz VVIDLOPIVFRTCJ-WFFDWFOESA-N 2 1 299.418 2.149 20 30 CEEDMP C=CC[C@@]1(C(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)CCC[NH2+]1 ZINC000662746293 415952564 /nfs/dbraw/zinc/95/25/64/415952564.db2.gz RXNFBTZCOUFVPE-RDJZCZTQSA-N 2 1 293.455 2.018 20 30 CEEDMP Cn1cc[nH+]c1CC1CC[NH+]([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000334944338 225371724 /nfs/dbraw/zinc/37/17/24/225371724.db2.gz FIKSJNDBJMKXSO-HUUCEWRRSA-N 2 1 272.396 2.367 20 30 CEEDMP CC[N@H+]1CC[C@@H](CNC(=[NH2+])Nc2cc(F)ccc2F)C1 ZINC000288634276 263105272 /nfs/dbraw/zinc/10/52/72/263105272.db2.gz BMUBRGFNHJHSCZ-JTQLQIEISA-N 2 1 282.338 2.033 20 30 CEEDMP C=CCOc1ccc(C[NH2+][C@H](C)[C@@H](C)[NH3+])cc1OC ZINC000415008049 263224022 /nfs/dbraw/zinc/22/40/22/263224022.db2.gz MEJLPXGVJAMBKL-VXGBXAGGSA-N 2 1 264.369 2.085 20 30 CEEDMP C=C(C)CNC(=[NH2+])NC[C@H]1CC[N@H+](C)[C@@H]1c1cccs1 ZINC000370161401 267295988 /nfs/dbraw/zinc/29/59/88/267295988.db2.gz KFTWPDFXTVEBNL-OCCSQVGLSA-N 2 1 292.452 2.431 20 30 CEEDMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CCC(C)(C)C#N)C2)CC1 ZINC000371199090 267369371 /nfs/dbraw/zinc/36/93/71/267369371.db2.gz QZAMRGJWMPNGEE-MRXNPFEDSA-N 2 1 292.471 2.027 20 30 CEEDMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(C#N)cc3)CC[C@@H]21 ZINC000129105670 277069480 /nfs/dbraw/zinc/06/94/80/277069480.db2.gz LFPKFRHZQFGNDE-SJORKVTESA-N 2 1 269.392 2.474 20 30 CEEDMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)CC[C@@H]21 ZINC000129105670 277069481 /nfs/dbraw/zinc/06/94/81/277069481.db2.gz LFPKFRHZQFGNDE-SJORKVTESA-N 2 1 269.392 2.474 20 30 CEEDMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)CC[C@@H]21 ZINC000129105670 277069483 /nfs/dbraw/zinc/06/94/83/277069483.db2.gz LFPKFRHZQFGNDE-SJORKVTESA-N 2 1 269.392 2.474 20 30 CEEDMP CCN(C[C@@H](O)C[N@@H+](C)CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000571266196 314080578 /nfs/dbraw/zinc/08/05/78/314080578.db2.gz GGIMRXUEIHQYPY-YOEHRIQHSA-N 2 1 289.423 2.254 20 30 CEEDMP CCN(C)C[C@H](O)C[N@H+](CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000571266196 314080579 /nfs/dbraw/zinc/08/05/79/314080579.db2.gz GGIMRXUEIHQYPY-YOEHRIQHSA-N 2 1 289.423 2.254 20 30 CEEDMP CCN(C)C[C@H](O)C[N@@H+](CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000571266196 314080581 /nfs/dbraw/zinc/08/05/81/314080581.db2.gz GGIMRXUEIHQYPY-YOEHRIQHSA-N 2 1 289.423 2.254 20 30 CEEDMP C=C(C)C[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000171304993 329073726 /nfs/dbraw/zinc/07/37/26/329073726.db2.gz XMTJTSLSJACSBM-GASCZTMLSA-N 2 1 266.429 2.384 20 30 CEEDMP N#CCSCCC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000173897874 329153431 /nfs/dbraw/zinc/15/34/31/329153431.db2.gz VNMSKTGYUAPRFL-CQSZACIVSA-N 2 1 267.442 2.051 20 30 CEEDMP CN(C)C(=[NH+]C[C@H]1CCC[N@H+]1C1CCCCC1)N(C)C ZINC000262762440 330029832 /nfs/dbraw/zinc/02/98/32/330029832.db2.gz FWUOKICPTXPDHE-OAHLLOKOSA-N 2 1 280.460 2.263 20 30 CEEDMP C=CC[NH+]1CCC(N[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000422857285 330157945 /nfs/dbraw/zinc/15/79/45/330157945.db2.gz GQMDDUCSNBXIKS-GVDBMIGSSA-N 2 1 277.456 2.147 20 30 CEEDMP C[NH2+]CC[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000423222989 330179729 /nfs/dbraw/zinc/17/97/29/330179729.db2.gz DLFWCVCIKLCPEF-UHFFFAOYSA-N 2 1 257.381 2.200 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H]2CCCOC2)CC1 ZINC000344237758 526602332 /nfs/dbraw/zinc/60/23/32/526602332.db2.gz GKTYOIJEKGAOQJ-AWEZNQCLSA-N 2 1 252.402 2.043 20 30 CEEDMP C=CCc1cc(C[N@H+]2CC[C@H](C[NH2+]C)C2)cc(OC)c1O ZINC000347134479 527238495 /nfs/dbraw/zinc/23/84/95/527238495.db2.gz SABVTYYIGGLRNA-CYBMUJFWSA-N 2 1 290.407 2.171 20 30 CEEDMP C=CCc1cc(C[N@@H+]2CC[C@H](C[NH2+]C)C2)cc(OC)c1O ZINC000347134479 527238498 /nfs/dbraw/zinc/23/84/98/527238498.db2.gz SABVTYYIGGLRNA-CYBMUJFWSA-N 2 1 290.407 2.171 20 30 CEEDMP C=C(C[NH+](C)C)C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](CC)C1 ZINC000764504885 574598353 /nfs/dbraw/zinc/59/83/53/574598353.db2.gz FYJSESVKTGDFDI-OAHLLOKOSA-N 2 1 295.471 2.121 20 30 CEEDMP C[C@H]1CCC[C@H]([NH+]2CCC(=NN3CC[NH+](C)CC3)CC2)C1 ZINC000733743055 574686244 /nfs/dbraw/zinc/68/62/44/574686244.db2.gz DAALWCIIFRAWHW-RDJZCZTQSA-N 2 1 292.471 2.264 20 30 CEEDMP C[C@@H]1C[C@@H](C)C[NH+]([C@H]2CCCCC2=[NH+]n2cnnc2)C1 ZINC000751517755 575290970 /nfs/dbraw/zinc/29/09/70/575290970.db2.gz VUEXXXJTHRIDMG-NFAWXSAZSA-N 2 1 275.400 2.403 20 30 CEEDMP C[C@H](C#N)Oc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000125489599 649924457 /nfs/dbraw/zinc/92/44/57/649924457.db2.gz CITXRKFXLKWKFH-GDBMZVCRSA-N 2 1 287.407 2.361 20 30 CEEDMP C[C@H](C#N)Oc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000125489599 649924459 /nfs/dbraw/zinc/92/44/59/649924459.db2.gz CITXRKFXLKWKFH-GDBMZVCRSA-N 2 1 287.407 2.361 20 30 CEEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC000970176606 613348931 /nfs/dbraw/zinc/34/89/31/613348931.db2.gz DXOIRAKYKQFMMN-HZPDHXFCSA-N 2 1 293.455 2.016 20 30 CEEDMP CCCNC(=[NH2+])NC[C@@H](CC)[N@H+]1CCc2ccccc2C1 ZINC000104167580 624320529 /nfs/dbraw/zinc/32/05/29/624320529.db2.gz GGSAYQJBZMOIFZ-MRXNPFEDSA-N 2 1 288.439 2.138 20 30 CEEDMP C#CC[NH+](C)CCCN[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000328023276 627741217 /nfs/dbraw/zinc/74/12/17/627741217.db2.gz SXOKCJSRHXVGOK-LJQANCHMSA-N 2 1 299.462 2.196 20 30 CEEDMP C#CC[N@H+](C)CCCN[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000328023276 627741207 /nfs/dbraw/zinc/74/12/07/627741207.db2.gz SXOKCJSRHXVGOK-LJQANCHMSA-N 2 1 299.462 2.196 20 30 CEEDMP C#CC[N@@H+](C)CCCN[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000328023276 627741213 /nfs/dbraw/zinc/74/12/13/627741213.db2.gz SXOKCJSRHXVGOK-LJQANCHMSA-N 2 1 299.462 2.196 20 30 CEEDMP C#CC[NH+](C)CCCN[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000328023276 627741219 /nfs/dbraw/zinc/74/12/19/627741219.db2.gz SXOKCJSRHXVGOK-LJQANCHMSA-N 2 1 299.462 2.196 20 30 CEEDMP C#C[C@H](C)[N@@H+](C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000775184001 628040853 /nfs/dbraw/zinc/04/08/53/628040853.db2.gz RNQGWIGBXICZHB-AWEZNQCLSA-N 2 1 260.381 2.081 20 30 CEEDMP CCCNC(=[NH2+])NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000162459408 628303373 /nfs/dbraw/zinc/30/33/73/628303373.db2.gz RRICRSXBQRMRJV-QGZVFWFLSA-N 2 1 288.439 2.355 20 30 CEEDMP C=CC[NH+]1CCC([NH2+]Cc2cc(C)cc(OC)c2O)CC1 ZINC000894229800 629240495 /nfs/dbraw/zinc/24/04/95/629240495.db2.gz XSUYGRIBPKHABF-UHFFFAOYSA-N 2 1 290.407 2.449 20 30 CEEDMP C[NH+](C)[C@@]1(CNC(=[NH2+])NC2CCCCCC2)CCSC1 ZINC000261979195 629409086 /nfs/dbraw/zinc/40/90/86/629409086.db2.gz HIHBGFADSHOQOH-OAHLLOKOSA-N 2 1 298.500 2.051 20 30 CEEDMP C[C@H](C#N)Oc1ccc(C[N@H+](C)CCC[NH+](C)C)cc1 ZINC000809729294 632133486 /nfs/dbraw/zinc/13/34/86/632133486.db2.gz DHLLHDJHGIZTRT-CQSZACIVSA-N 2 1 275.396 2.361 20 30 CEEDMP C[C@H](C#N)Oc1ccc(C[N@@H+](C)CCC[NH+](C)C)cc1 ZINC000809729294 632133490 /nfs/dbraw/zinc/13/34/90/632133490.db2.gz DHLLHDJHGIZTRT-CQSZACIVSA-N 2 1 275.396 2.361 20 30 CEEDMP CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H]2CCC[C@H]2[NH3+])c1 ZINC000817917469 633775707 /nfs/dbraw/zinc/77/57/07/633775707.db2.gz HAIGPDKMWRDHMX-FVQBIDKESA-N 2 1 273.380 2.337 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](O)c2ccccc2)CC1 ZINC000819024004 634044011 /nfs/dbraw/zinc/04/40/11/634044011.db2.gz MBANGLQUVFXWLP-QGZVFWFLSA-N 2 1 274.408 2.350 20 30 CEEDMP Cc1cc(C#N)cc(C)c1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000903452481 635135688 /nfs/dbraw/zinc/13/56/88/635135688.db2.gz NFQUYTCTGDPZRN-RDJZCZTQSA-N 2 1 269.392 2.359 20 30 CEEDMP Cc1cc(C#N)cc(C)c1C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000903452481 635135689 /nfs/dbraw/zinc/13/56/89/635135689.db2.gz NFQUYTCTGDPZRN-RDJZCZTQSA-N 2 1 269.392 2.359 20 30 CEEDMP C=CCCCCC[N@H+](C)Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903894952 635330781 /nfs/dbraw/zinc/33/07/81/635330781.db2.gz IQPOCLYUXWLJJD-OAHLLOKOSA-N 2 1 291.443 2.381 20 30 CEEDMP Cc1[nH+]ccn1CC[NH2+]Cc1c(C)cc(C#N)cc1C ZINC000921634318 642291047 /nfs/dbraw/zinc/29/10/47/642291047.db2.gz UCTMYCURDBBSQA-UHFFFAOYSA-N 2 1 268.364 2.470 20 30 CEEDMP C=C(C)CN1CCC([NH2+]Cc2c3c(nn2C)CCC3)CC1 ZINC000921702539 642548850 /nfs/dbraw/zinc/54/88/50/642548850.db2.gz KMXXUJPYWOOMAI-UHFFFAOYSA-N 2 1 288.439 2.039 20 30 CEEDMP C=CCC[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001002793180 642836335 /nfs/dbraw/zinc/83/63/35/642836335.db2.gz WSAZZIOZWACLCS-MRXNPFEDSA-N 2 1 293.455 2.016 20 30 CEEDMP C=C(Cl)C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000852753167 643538022 /nfs/dbraw/zinc/53/80/22/643538022.db2.gz AGHKIHBCFXGDQQ-XQQFMLRXSA-N 2 1 258.793 2.100 20 30 CEEDMP N#Cc1cc(Cl)cc(C[N@@H+]2CC[C@H](CC[NH3+])C2)c1 ZINC000923480441 643731233 /nfs/dbraw/zinc/73/12/33/643731233.db2.gz YOBVXIOIRGHVFZ-NSHDSACASA-N 2 1 263.772 2.382 20 30 CEEDMP C#CCOc1ccc(C[NH+]2CC[C@H]3[C@@H](CC[N@H+]3C)C2)cc1 ZINC000877742860 650888075 /nfs/dbraw/zinc/88/80/75/650888075.db2.gz GRJHGMDAYONSHY-WMZOPIPTSA-N 2 1 284.403 2.225 20 30 CEEDMP C#CCOc1ccc(C[NH+]2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)cc1 ZINC000877742860 650888076 /nfs/dbraw/zinc/88/80/76/650888076.db2.gz GRJHGMDAYONSHY-WMZOPIPTSA-N 2 1 284.403 2.225 20 30 CEEDMP C#CCOc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)cc1 ZINC000877742860 650888081 /nfs/dbraw/zinc/88/80/81/650888081.db2.gz GRJHGMDAYONSHY-WMZOPIPTSA-N 2 1 284.403 2.225 20 30 CEEDMP C#CCOc1ccc(C[N@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)cc1 ZINC000877742860 650888083 /nfs/dbraw/zinc/88/80/83/650888083.db2.gz GRJHGMDAYONSHY-WMZOPIPTSA-N 2 1 284.403 2.225 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)C[C@@H]2CCOC2)CC1 ZINC000765834926 645814982 /nfs/dbraw/zinc/81/49/82/645814982.db2.gz KPCIBCLREAYJCA-CABCVRRESA-N 2 1 266.429 2.432 20 30 CEEDMP CC[NH+]1CCC([NH2+][C@@H]2Cc3ccc(C#N)cc3C2)CC1 ZINC000866616564 647843294 /nfs/dbraw/zinc/84/32/94/647843294.db2.gz ZOSJFVGYUONGHM-QGZVFWFLSA-N 2 1 269.392 2.099 20 30 CEEDMP C#C[C@H]1CC[C@H]([NH2+]Cc2c[nH+]ccc2N(C)C)CC1 ZINC000873198477 649585881 /nfs/dbraw/zinc/58/58/81/649585881.db2.gz MFQRBBNUHADXSV-CTYIDZIISA-N 2 1 257.381 2.429 20 30 CEEDMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc(OCC#N)cc3)CC[C@@H]21 ZINC000879571521 651324416 /nfs/dbraw/zinc/32/44/16/651324416.db2.gz AXIRIMNSOQYWGF-WBVHZDCISA-N 2 1 285.391 2.115 20 30 CEEDMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(OCC#N)cc3)CC[C@@H]21 ZINC000879571521 651324417 /nfs/dbraw/zinc/32/44/17/651324417.db2.gz AXIRIMNSOQYWGF-WBVHZDCISA-N 2 1 285.391 2.115 20 30 CEEDMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(OCC#N)cc3)CC[C@@H]21 ZINC000879571521 651324418 /nfs/dbraw/zinc/32/44/18/651324418.db2.gz AXIRIMNSOQYWGF-WBVHZDCISA-N 2 1 285.391 2.115 20 30 CEEDMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(OCC#N)cc3)CC[C@@H]21 ZINC000879571521 651324419 /nfs/dbraw/zinc/32/44/19/651324419.db2.gz AXIRIMNSOQYWGF-WBVHZDCISA-N 2 1 285.391 2.115 20 30 CEEDMP C[C@@H](CCC#N)[N@@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880258868 651411349 /nfs/dbraw/zinc/41/13/49/651411349.db2.gz DLZFTWTZMVYKIY-KBPBESRZSA-N 2 1 258.369 2.284 20 30 CEEDMP C[C@@H](CCC#N)[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880258868 651411351 /nfs/dbraw/zinc/41/13/51/651411351.db2.gz DLZFTWTZMVYKIY-KBPBESRZSA-N 2 1 258.369 2.284 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](CCC=C)[C@@H]1CCCO1 ZINC000883224157 652405738 /nfs/dbraw/zinc/40/57/38/652405738.db2.gz GLUPYRFWECEWTM-HOTGVXAUSA-N 2 1 264.413 2.045 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](CCC=C)[C@@H]1CCCO1 ZINC000883224157 652405740 /nfs/dbraw/zinc/40/57/40/652405740.db2.gz GLUPYRFWECEWTM-HOTGVXAUSA-N 2 1 264.413 2.045 20 30 CEEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)[C@H]1CC ZINC001087593725 805758699 /nfs/dbraw/zinc/75/86/99/805758699.db2.gz SWFYDLHZANVEAF-ARFHVFGLSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2CCC)[C@H]1CC ZINC001087593725 805758701 /nfs/dbraw/zinc/75/87/01/805758701.db2.gz SWFYDLHZANVEAF-ARFHVFGLSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2CCC)[C@H]1CC ZINC001087593725 805758704 /nfs/dbraw/zinc/75/87/04/805758704.db2.gz SWFYDLHZANVEAF-ARFHVFGLSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H]1CC ZINC001087684175 805772264 /nfs/dbraw/zinc/77/22/64/805772264.db2.gz KACGXEXKTLQPLR-LSDHHAIUSA-N 2 1 293.455 2.016 20 30 CEEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)[C@H]1CC ZINC001087725161 805781817 /nfs/dbraw/zinc/78/18/17/805781817.db2.gz FCPIPSMXKBFRTF-HRCADAONSA-N 2 1 293.455 2.016 20 30 CEEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)[C@H]1CC ZINC001087725161 805781823 /nfs/dbraw/zinc/78/18/23/805781823.db2.gz FCPIPSMXKBFRTF-HRCADAONSA-N 2 1 293.455 2.016 20 30 CEEDMP C=C(C)CC[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@H+]1C)C(C)C ZINC001271861057 806120927 /nfs/dbraw/zinc/12/09/27/806120927.db2.gz LNKPUHZAXUGBTQ-HZPDHXFCSA-N 2 1 295.471 2.167 20 30 CEEDMP C=CCC[C@H](C)[NH+](C)CCNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001267233196 803264430 /nfs/dbraw/zinc/26/44/30/803264430.db2.gz RTZXGNKVUHTKCR-JKSUJKDBSA-N 2 1 295.471 2.264 20 30 CEEDMP C=CCC[C@H](C)[N@@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1CC ZINC001267233196 803264438 /nfs/dbraw/zinc/26/44/38/803264438.db2.gz RTZXGNKVUHTKCR-JKSUJKDBSA-N 2 1 295.471 2.264 20 30 CEEDMP C=CCC[C@H](C)[N@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1CC ZINC001267233196 803264441 /nfs/dbraw/zinc/26/44/41/803264441.db2.gz RTZXGNKVUHTKCR-JKSUJKDBSA-N 2 1 295.471 2.264 20 30 CEEDMP C=CCCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001267790186 803735465 /nfs/dbraw/zinc/73/54/65/803735465.db2.gz NSGNJCVXKBSYRZ-CVEARBPZSA-N 2 1 295.471 2.216 20 30 CEEDMP CCCCCCCCC[N@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001235056094 807765188 /nfs/dbraw/zinc/76/51/88/807765188.db2.gz VVKGQQZUJVDHMG-MRXNPFEDSA-N 2 1 267.461 2.374 20 30 CEEDMP C=CCCCCCC[N@@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001205209336 808552394 /nfs/dbraw/zinc/55/23/94/808552394.db2.gz ITQFSWXAKPNSKP-OAHLLOKOSA-N 2 1 254.418 2.299 20 30 CEEDMP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001034736173 809678792 /nfs/dbraw/zinc/67/87/92/809678792.db2.gz RSUTZHAMSGEQDA-BZUAXINKSA-N 2 1 293.455 2.064 20 30 CEEDMP C#CC1([NH2+]C2CC[NH+](CCCOC)CC2)CCCCC1 ZINC001172249564 815359222 /nfs/dbraw/zinc/35/92/22/815359222.db2.gz OEFWRHIPHIJCIU-UHFFFAOYSA-N 2 1 278.440 2.413 20 30 CEEDMP COCCC[NH+]1CCC([N@@H+]2CCC[C@H](CC#N)C2)CC1 ZINC001172256269 815360314 /nfs/dbraw/zinc/36/03/14/815360314.db2.gz VIALVFXPOBKDEZ-OAHLLOKOSA-N 2 1 279.428 2.113 20 30 CEEDMP COCCC[NH+]1CCC([N@H+]2CCC[C@H](CC#N)C2)CC1 ZINC001172256269 815360321 /nfs/dbraw/zinc/36/03/21/815360321.db2.gz VIALVFXPOBKDEZ-OAHLLOKOSA-N 2 1 279.428 2.113 20 30 CEEDMP C=CCCC[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC001122002871 815376800 /nfs/dbraw/zinc/37/68/00/815376800.db2.gz LNKNIBIVZGMAPT-ZNMIVQPWSA-N 2 1 281.444 2.001 20 30 CEEDMP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001020238860 810782223 /nfs/dbraw/zinc/78/22/23/810782223.db2.gz GDJDZSSHYDXGAB-BZUAXINKSA-N 2 1 293.455 2.062 20 30 CEEDMP C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc2c[nH+]cn2c1 ZINC001085724910 810890040 /nfs/dbraw/zinc/89/00/40/810890040.db2.gz IWCIBQWWLCTCEP-MRXNPFEDSA-N 2 1 298.390 2.057 20 30 CEEDMP C=CCC[C@H](C)[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001130710860 812600629 /nfs/dbraw/zinc/60/06/29/812600629.db2.gz HDXNBLCKYVDDSF-JKSUJKDBSA-N 2 1 295.471 2.167 20 30 CEEDMP C=CC[N@@H+]1C[C@H](NC(=O)C[NH+](C)CC(C)(C)C)CC[C@@H]1C ZINC001132310915 812829041 /nfs/dbraw/zinc/82/90/41/812829041.db2.gz PZDWEGGXFZWFRY-LSDHHAIUSA-N 2 1 295.471 2.119 20 30 CEEDMP C=CC[NH+]1C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)CC[C@@H]1C ZINC001132310915 812829047 /nfs/dbraw/zinc/82/90/47/812829047.db2.gz PZDWEGGXFZWFRY-LSDHHAIUSA-N 2 1 295.471 2.119 20 30 CEEDMP C=CC[NH+]1C[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)CC[C@@H]1C ZINC001132310915 812829053 /nfs/dbraw/zinc/82/90/53/812829053.db2.gz PZDWEGGXFZWFRY-LSDHHAIUSA-N 2 1 295.471 2.119 20 30 CEEDMP C=CC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)CC[C@@H]1C ZINC001132310913 812829826 /nfs/dbraw/zinc/82/98/26/812829826.db2.gz PZDWEGGXFZWFRY-GJZGRUSLSA-N 2 1 295.471 2.119 20 30 CEEDMP C=CC[NH+]1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)CC[C@@H]1C ZINC001132310913 812829835 /nfs/dbraw/zinc/82/98/35/812829835.db2.gz PZDWEGGXFZWFRY-GJZGRUSLSA-N 2 1 295.471 2.119 20 30 CEEDMP C=CC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)CC[C@@H]1C ZINC001132310913 812829844 /nfs/dbraw/zinc/82/98/44/812829844.db2.gz PZDWEGGXFZWFRY-GJZGRUSLSA-N 2 1 295.471 2.119 20 30 CEEDMP C=C(C)C[NH+]1C[C@H](NC(=O)CC[N@H+](C)CCC)CC[C@H]1C ZINC001132435386 812849883 /nfs/dbraw/zinc/84/98/83/812849883.db2.gz CKNXRBWBINOMKO-HZPDHXFCSA-N 2 1 295.471 2.264 20 30 CEEDMP C=C(C)C[N@@H+]1C[C@H](NC(=O)CC[NH+](C)CCC)CC[C@H]1C ZINC001132435386 812849891 /nfs/dbraw/zinc/84/98/91/812849891.db2.gz CKNXRBWBINOMKO-HZPDHXFCSA-N 2 1 295.471 2.264 20 30 CEEDMP C=C(C)C[N@H+]1C[C@H](NC(=O)CC[NH+](C)CCC)CC[C@H]1C ZINC001132435386 812849901 /nfs/dbraw/zinc/84/99/01/812849901.db2.gz CKNXRBWBINOMKO-HZPDHXFCSA-N 2 1 295.471 2.264 20 30 CEEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)C[N@H+](C)CCC)CC[C@H]1C ZINC001132441335 812855810 /nfs/dbraw/zinc/85/58/10/812855810.db2.gz NPFZPKRIRDQMQK-CVEARBPZSA-N 2 1 295.471 2.264 20 30 CEEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CCC)CC[C@H]1C ZINC001132441335 812855811 /nfs/dbraw/zinc/85/58/11/812855811.db2.gz NPFZPKRIRDQMQK-CVEARBPZSA-N 2 1 295.471 2.264 20 30 CEEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)C[NH+](C)CCC)CC[C@H]1C ZINC001132441335 812855822 /nfs/dbraw/zinc/85/58/22/812855822.db2.gz NPFZPKRIRDQMQK-CVEARBPZSA-N 2 1 295.471 2.264 20 30 CEEDMP C=CCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001052498392 812999589 /nfs/dbraw/zinc/99/95/89/812999589.db2.gz HGSYRCJXKVLQFE-HZPDHXFCSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001052498392 812999594 /nfs/dbraw/zinc/99/95/94/812999594.db2.gz HGSYRCJXKVLQFE-HZPDHXFCSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001052498392 812999600 /nfs/dbraw/zinc/99/96/00/812999600.db2.gz HGSYRCJXKVLQFE-HZPDHXFCSA-N 2 1 293.455 2.018 20 30 CEEDMP C[N@@H+]1CC[C@@H](NC(=[NH2+])c2ccc(C(F)(F)F)cc2)C1 ZINC001255413083 813086894 /nfs/dbraw/zinc/08/68/94/813086894.db2.gz TZHZHCXEXFOEFB-LLVKDONJSA-N 2 1 271.286 2.115 20 30 CEEDMP C[N@H+]1CC[C@@H](NC(=[NH2+])c2ccc(C(F)(F)F)cc2)C1 ZINC001255413083 813086903 /nfs/dbraw/zinc/08/69/03/813086903.db2.gz TZHZHCXEXFOEFB-LLVKDONJSA-N 2 1 271.286 2.115 20 30 CEEDMP C=CCC[C@H](C)[NH2+]CCNC(=O)Cn1cc[nH+]c1C(C)C ZINC001134570291 813290467 /nfs/dbraw/zinc/29/04/67/813290467.db2.gz NFDMBQZSEMSULB-AWEZNQCLSA-N 2 1 292.427 2.067 20 30 CEEDMP C=CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[C@H]1C ZINC001071738091 813472837 /nfs/dbraw/zinc/47/28/37/813472837.db2.gz AEPQKQVFZRBFMT-CABCVRRESA-N 2 1 293.455 2.016 20 30 CEEDMP C[C@H](Cc1cccc(C#N)c1)[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC001171202772 814134239 /nfs/dbraw/zinc/13/42/39/814134239.db2.gz GANSFIROVXDVOB-CKEIUWERSA-N 2 1 271.408 2.419 20 30 CEEDMP C[C@H](Cc1cccc(C#N)c1)[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC001171202772 814134242 /nfs/dbraw/zinc/13/42/42/814134242.db2.gz GANSFIROVXDVOB-CKEIUWERSA-N 2 1 271.408 2.419 20 30 CEEDMP C[C@H](Cc1cccc(C#N)c1)[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC001171202773 814134386 /nfs/dbraw/zinc/13/43/86/814134386.db2.gz GANSFIROVXDVOB-CPUCHLNUSA-N 2 1 271.408 2.419 20 30 CEEDMP C[C@H](Cc1cccc(C#N)c1)[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC001171202773 814134391 /nfs/dbraw/zinc/13/43/91/814134391.db2.gz GANSFIROVXDVOB-CPUCHLNUSA-N 2 1 271.408 2.419 20 30 CEEDMP C=CCC[C@H](C)[NH2+]C1CC(CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001101039589 814215835 /nfs/dbraw/zinc/21/58/35/814215835.db2.gz SYOOCOUKUJUMEP-FHERZECASA-N 2 1 295.471 2.166 20 30 CEEDMP C=CCCCCC[NH2+]CCNC(=O)CC[N@H+](C)CCC ZINC001148573218 814589315 /nfs/dbraw/zinc/58/93/15/814589315.db2.gz RHWHSZGAIJMHTI-UHFFFAOYSA-N 2 1 283.460 2.171 20 30 CEEDMP CCCCCCC[NH2+]CCNC(=O)CC[N@@H+](C)CCC ZINC001148578000 814590189 /nfs/dbraw/zinc/59/01/89/814590189.db2.gz MVFBVGGNQABEJP-UHFFFAOYSA-N 2 1 285.476 2.395 20 30 CEEDMP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001176753640 816472941 /nfs/dbraw/zinc/47/29/41/816472941.db2.gz JHSOADZPSULWNE-OAHLLOKOSA-N 2 1 283.460 2.167 20 30 CEEDMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000037748865 361929034 /nfs/dbraw/zinc/92/90/34/361929034.db2.gz ZVOPWJSXNWXECR-WWGRRREGSA-N 2 1 257.381 2.377 20 30 CEEDMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000037748865 361929038 /nfs/dbraw/zinc/92/90/38/361929038.db2.gz ZVOPWJSXNWXECR-WWGRRREGSA-N 2 1 257.381 2.377 20 30 CEEDMP C=CCCC[C@H](C)[N@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000091511078 344166750 /nfs/dbraw/zinc/16/67/50/344166750.db2.gz CNBFOZRESBRQCD-IRXDYDNUSA-N 2 1 279.472 2.443 20 30 CEEDMP C[NH+](C)CCC1CC[NH+](Cc2ccncc2C#N)CC1 ZINC000592063817 345317461 /nfs/dbraw/zinc/31/74/61/345317461.db2.gz KCGIXBSLWBRWGV-UHFFFAOYSA-N 2 1 272.396 2.117 20 30 CEEDMP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]CC1([NH3+])CCC1 ZINC000591578215 345266097 /nfs/dbraw/zinc/26/60/97/345266097.db2.gz ZHZDXPWTHFDGNX-HNNXBMFYSA-N 2 1 255.365 2.407 20 30 CEEDMP CC(C)(CC#N)C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000594515075 345642385 /nfs/dbraw/zinc/64/23/85/345642385.db2.gz DUOJAMRJFBLUJQ-HNNXBMFYSA-N 2 1 279.428 2.159 20 30 CEEDMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CCc2ccc(C#N)cc2)C1 ZINC000595889643 345907337 /nfs/dbraw/zinc/90/73/37/345907337.db2.gz AQWYQRFXEHZOIQ-CZUORRHYSA-N 2 1 257.381 2.160 20 30 CEEDMP N#Cc1cc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)ccn1 ZINC000610995106 347730231 /nfs/dbraw/zinc/73/02/31/347730231.db2.gz HQYXALGZFMKMAU-CRAIPNDOSA-N 2 1 296.418 2.402 20 30 CEEDMP Cn1cc[nH+]c1CC1CC[NH+](CCCCC#N)CC1 ZINC000105876768 186082477 /nfs/dbraw/zinc/08/24/77/186082477.db2.gz USVZXMKVMJNNCC-UHFFFAOYSA-N 2 1 260.385 2.368 20 30 CEEDMP CC(C)[NH+]1CCC([N@@H+](C)CCCSCC#N)CC1 ZINC000074989931 363430882 /nfs/dbraw/zinc/43/08/82/363430882.db2.gz YNYTXGQCRGXAQE-UHFFFAOYSA-N 2 1 269.458 2.438 20 30 CEEDMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc(C#N)cc1 ZINC000271863430 191375423 /nfs/dbraw/zinc/37/54/23/191375423.db2.gz KVOFPOUGKQWGAN-CYBMUJFWSA-N 2 1 255.365 2.471 20 30 CEEDMP C=C(C)CN1CCC([NH2+]C2CC[NH+](CC3CC3)CC2)CC1 ZINC000152955167 366722653 /nfs/dbraw/zinc/72/26/53/366722653.db2.gz CDWKJBRRXZEQQZ-UHFFFAOYSA-N 2 1 291.483 2.491 20 30 CEEDMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000334672827 364161464 /nfs/dbraw/zinc/16/14/64/364161464.db2.gz YIIYGNVOYDZWJE-ABAIWWIYSA-N 2 1 261.344 2.127 20 30 CEEDMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000334672827 364161467 /nfs/dbraw/zinc/16/14/67/364161467.db2.gz YIIYGNVOYDZWJE-ABAIWWIYSA-N 2 1 261.344 2.127 20 30 CEEDMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccc(CC#N)cc3)C2)C1 ZINC000336124977 365443727 /nfs/dbraw/zinc/44/37/27/365443727.db2.gz QEHLULNQZPYVQQ-QGZVFWFLSA-N 2 1 269.392 2.280 20 30 CEEDMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccc(CC#N)cc3)C2)C1 ZINC000336124977 365443733 /nfs/dbraw/zinc/44/37/33/365443733.db2.gz QEHLULNQZPYVQQ-QGZVFWFLSA-N 2 1 269.392 2.280 20 30 CEEDMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccc(CC#N)cc3)C2)C1 ZINC000336124977 365443737 /nfs/dbraw/zinc/44/37/37/365443737.db2.gz QEHLULNQZPYVQQ-QGZVFWFLSA-N 2 1 269.392 2.280 20 30 CEEDMP C#CCOc1ccc([C@@H](C)[NH2+]C2CC[NH+](C)CC2)cc1 ZINC000161454421 367087616 /nfs/dbraw/zinc/08/76/16/367087616.db2.gz DAPPDHROGDUXPB-CQSZACIVSA-N 2 1 272.392 2.443 20 30 CEEDMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cnc3ccc(C#N)cn23)C1 ZINC000583838323 367103755 /nfs/dbraw/zinc/10/37/55/367103755.db2.gz DGVBCNHWRUVSGD-OAHLLOKOSA-N 2 1 297.406 2.026 20 30 CEEDMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cnc3ccc(C#N)cn23)C1 ZINC000583838323 367103759 /nfs/dbraw/zinc/10/37/59/367103759.db2.gz DGVBCNHWRUVSGD-OAHLLOKOSA-N 2 1 297.406 2.026 20 30 CEEDMP [NH2+]=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)Nc1ccccn1 ZINC000170906348 367444695 /nfs/dbraw/zinc/44/46/95/367444695.db2.gz GQQAGQVHVBFTTR-ZDUSSCGKSA-N 2 1 299.378 2.238 20 30 CEEDMP N#Cc1cccc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000335538375 212235518 /nfs/dbraw/zinc/23/55/18/212235518.db2.gz KMSZIWWLVCBACR-MRXNPFEDSA-N 2 1 255.365 2.134 20 30 CEEDMP N#Cc1cccc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000335538375 212235519 /nfs/dbraw/zinc/23/55/19/212235519.db2.gz KMSZIWWLVCBACR-MRXNPFEDSA-N 2 1 255.365 2.134 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)[C@@H]2CCCO2)CC1 ZINC000346559822 368716994 /nfs/dbraw/zinc/71/69/94/368716994.db2.gz MSISSPJYLSDHHG-ZFWWWQNUSA-N 2 1 252.402 2.184 20 30 CEEDMP Cc1[nH+]ccn1CCCC[NH2+]Cc1nc(C#N)cs1 ZINC000352842890 369908746 /nfs/dbraw/zinc/90/87/46/369908746.db2.gz WDCOIVRCNLSMDK-UHFFFAOYSA-N 2 1 275.381 2.090 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+]CC2CC(OCC)C2)CC1 ZINC000638523349 370589074 /nfs/dbraw/zinc/58/90/74/370589074.db2.gz AGMJMNUYGLIVMK-UHFFFAOYSA-N 2 1 266.429 2.432 20 30 CEEDMP C=CCOc1ccccc1C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261713617 371708792 /nfs/dbraw/zinc/70/87/92/371708792.db2.gz MUASAVMIHCAMRI-INIZCTEOSA-N 2 1 260.381 2.422 20 30 CEEDMP C=CCOc1cccc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000261981926 371788423 /nfs/dbraw/zinc/78/84/23/371788423.db2.gz JIGPIZSQRMZNHG-QGZVFWFLSA-N 2 1 272.392 2.437 20 30 CEEDMP C=CCOc1cccc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000261981926 371788425 /nfs/dbraw/zinc/78/84/25/371788425.db2.gz JIGPIZSQRMZNHG-QGZVFWFLSA-N 2 1 272.392 2.437 20 30 CEEDMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(C#N)n(C)c2)C[C@H]1C ZINC000361562108 371924965 /nfs/dbraw/zinc/92/49/65/371924965.db2.gz AKVIHGDDTODDGE-HIFRSBDPSA-N 2 1 274.412 2.201 20 30 CEEDMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(C#N)n(C)c2)C[C@H]1C ZINC000361562108 371924973 /nfs/dbraw/zinc/92/49/73/371924973.db2.gz AKVIHGDDTODDGE-HIFRSBDPSA-N 2 1 274.412 2.201 20 30 CEEDMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(C#N)n(C)c2)C[C@H]1C ZINC000361562108 371924984 /nfs/dbraw/zinc/92/49/84/371924984.db2.gz AKVIHGDDTODDGE-HIFRSBDPSA-N 2 1 274.412 2.201 20 30 CEEDMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(C#N)n(C)c2)C[C@H]1C ZINC000361562108 371924990 /nfs/dbraw/zinc/92/49/90/371924990.db2.gz AKVIHGDDTODDGE-HIFRSBDPSA-N 2 1 274.412 2.201 20 30 CEEDMP CNC(=[NH2+])NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000264125646 371974695 /nfs/dbraw/zinc/97/46/95/371974695.db2.gz SEPSKJHMSYGVKZ-ZDUSSCGKSA-N 2 1 274.412 2.095 20 30 CEEDMP Cc1[nH+]ccn1CCCNC(=[NH2+])Nc1ccc2c(c1)CCC2 ZINC000264128487 371975821 /nfs/dbraw/zinc/97/58/21/371975821.db2.gz XESPFXXPGPUTQO-UHFFFAOYSA-N 2 1 297.406 2.497 20 30 CEEDMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cccc(C#N)c2)C1 ZINC000269137581 372353471 /nfs/dbraw/zinc/35/34/71/372353471.db2.gz WFBQDZZWXRPEGA-DLBZAZTESA-N 2 1 269.392 2.474 20 30 CEEDMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2cccc(C#N)c2)C1 ZINC000269137581 372353481 /nfs/dbraw/zinc/35/34/81/372353481.db2.gz WFBQDZZWXRPEGA-DLBZAZTESA-N 2 1 269.392 2.474 20 30 CEEDMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2cccc(C#N)c2)C1 ZINC000269137581 372353489 /nfs/dbraw/zinc/35/34/89/372353489.db2.gz WFBQDZZWXRPEGA-DLBZAZTESA-N 2 1 269.392 2.474 20 30 CEEDMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C#N)s2)[C@@H](C)C1 ZINC000344543288 217226520 /nfs/dbraw/zinc/22/65/20/217226520.db2.gz PUYPXLBCTJJBMO-FZMZJTMJSA-N 2 1 263.410 2.440 20 30 CEEDMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C#N)s2)[C@@H](C)C1 ZINC000344543288 217226523 /nfs/dbraw/zinc/22/65/23/217226523.db2.gz PUYPXLBCTJJBMO-FZMZJTMJSA-N 2 1 263.410 2.440 20 30 CEEDMP C=CC[C@H](C)[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000368426145 373239915 /nfs/dbraw/zinc/23/99/15/373239915.db2.gz UTRIDXWEQHGVMX-CAOSSQGBSA-N 2 1 266.429 2.430 20 30 CEEDMP C=CC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000368426145 373239924 /nfs/dbraw/zinc/23/99/24/373239924.db2.gz UTRIDXWEQHGVMX-CAOSSQGBSA-N 2 1 266.429 2.430 20 30 CEEDMP C[NH+](C)[C@@H]1CCC[N@H+](C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000277283227 374463732 /nfs/dbraw/zinc/46/37/32/374463732.db2.gz SLLLQEIWBKELJP-SJORKVTESA-N 2 1 287.407 2.008 20 30 CEEDMP C[NH+](C)[C@@H]1CCC[N@@H+](C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000277283227 374463740 /nfs/dbraw/zinc/46/37/40/374463740.db2.gz SLLLQEIWBKELJP-SJORKVTESA-N 2 1 287.407 2.008 20 30 CEEDMP C#CCOc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000264983860 190149742 /nfs/dbraw/zinc/14/97/42/190149742.db2.gz VEIJXYBSTGOTKZ-SJORKVTESA-N 2 1 284.403 2.415 20 30 CEEDMP C[N@H+]1CCC[C@]2(CCN(Cc3ccc(C#N)o3)C2)C1 ZINC000293689045 377700439 /nfs/dbraw/zinc/70/04/39/377700439.db2.gz QMGZQFSMAVPQSC-HNNXBMFYSA-N 2 1 259.353 2.069 20 30 CEEDMP C=CCC[C@H](C)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432415086 377759061 /nfs/dbraw/zinc/75/90/61/377759061.db2.gz MRHKIVHGXHWQTE-GJZGRUSLSA-N 2 1 254.418 2.432 20 30 CEEDMP C=CCC[C@H](C)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432415086 377759067 /nfs/dbraw/zinc/75/90/67/377759067.db2.gz MRHKIVHGXHWQTE-GJZGRUSLSA-N 2 1 254.418 2.432 20 30 CEEDMP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000436291276 377821586 /nfs/dbraw/zinc/82/15/86/377821586.db2.gz PUJLMLBPLIRNTE-QXSJWSMHSA-N 2 1 264.413 2.184 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+]CC[C@H]2CCOC2)CC1 ZINC000438205995 377893729 /nfs/dbraw/zinc/89/37/29/377893729.db2.gz ZJQRFKKGAXQMJS-AWEZNQCLSA-N 2 1 252.402 2.043 20 30 CEEDMP N#CC1(C[NH+]2CCC(C[NH+]3CCCC3)CC2)CCC1 ZINC000450261392 378331149 /nfs/dbraw/zinc/33/11/49/378331149.db2.gz IGMMSXAREWMCSK-UHFFFAOYSA-N 2 1 261.413 2.488 20 30 CEEDMP C=C(C)CNC(=[NH2+])NC[C@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000104191395 394719536 /nfs/dbraw/zinc/71/95/36/394719536.db2.gz NXKBRVMWXNFPNB-CQSZACIVSA-N 2 1 290.411 2.205 20 30 CEEDMP C=CCOCC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000338999677 394935294 /nfs/dbraw/zinc/93/52/94/394935294.db2.gz FXKTWCNZAGFOED-HNNXBMFYSA-N 2 1 252.402 2.139 20 30 CEEDMP N#C[C@@H]1CC[C@H]([N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)C1 ZINC000339005823 394936294 /nfs/dbraw/zinc/93/62/94/394936294.db2.gz BWQFTFQEENCWSS-OAGGEKHMSA-N 2 1 261.413 2.486 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](COC)C(C)C)CC1 ZINC000153023486 394999727 /nfs/dbraw/zinc/99/97/27/394999727.db2.gz BMCQBXZOIFOLOD-HNNXBMFYSA-N 2 1 254.418 2.288 20 30 CEEDMP C#CCOc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000290377267 395101054 /nfs/dbraw/zinc/10/10/54/395101054.db2.gz HWERWMHLWYMXPW-CRAIPNDOSA-N 2 1 286.419 2.471 20 30 CEEDMP C#CCOc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000290377267 395101058 /nfs/dbraw/zinc/10/10/58/395101058.db2.gz HWERWMHLWYMXPW-CRAIPNDOSA-N 2 1 286.419 2.471 20 30 CEEDMP C#CCOc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)cc1 ZINC000290377267 395101060 /nfs/dbraw/zinc/10/10/60/395101060.db2.gz HWERWMHLWYMXPW-CRAIPNDOSA-N 2 1 286.419 2.471 20 30 CEEDMP C#CCOc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)cc1 ZINC000290377267 395101064 /nfs/dbraw/zinc/10/10/64/395101064.db2.gz HWERWMHLWYMXPW-CRAIPNDOSA-N 2 1 286.419 2.471 20 30 CEEDMP C=CCCC[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000652361786 401494028 /nfs/dbraw/zinc/49/40/28/401494028.db2.gz PGKRNSKIXSOFAE-ZNMIVQPWSA-N 2 1 252.402 2.313 20 30 CEEDMP Cn1ccnc1C[C@H]1CCC[N@@H+](Cc2cc(C#N)n(C)c2)C1 ZINC000191464064 153174848 /nfs/dbraw/zinc/17/48/48/153174848.db2.gz NDYCOLYIWMEHBN-CQSZACIVSA-N 2 1 297.406 2.085 20 30 CEEDMP CN(C(=[NH2+])NC[C@@H]1CCC[N@H+]1Cc1ccccc1)C1CC1 ZINC000273347803 263015772 /nfs/dbraw/zinc/01/57/72/263015772.db2.gz PBOYWUYVWBPYBO-INIZCTEOSA-N 2 1 286.423 2.060 20 30 CEEDMP C=CCSCC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000367601601 267102282 /nfs/dbraw/zinc/10/22/82/267102282.db2.gz OPXITYIETQCMKH-MJBXVCDLSA-N 2 1 254.443 2.368 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000295124470 275380918 /nfs/dbraw/zinc/38/09/18/275380918.db2.gz YZZWNFFAFMAOIP-INIZCTEOSA-N 2 1 260.356 2.358 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000295124470 275380919 /nfs/dbraw/zinc/38/09/19/275380919.db2.gz YZZWNFFAFMAOIP-INIZCTEOSA-N 2 1 260.356 2.358 20 30 CEEDMP C#CC[N@H+](CCCN1CC[NH+](C(C)C)CC1)C1CCCC1 ZINC000192757004 333239068 /nfs/dbraw/zinc/23/90/68/333239068.db2.gz BEBVNUCPWRQGQC-UHFFFAOYSA-N 2 1 291.483 2.280 20 30 CEEDMP C=CCOc1ccc(C[N@H+]2CC[C@H](C[NH2+]C)C2)cc1 ZINC000347073746 526872222 /nfs/dbraw/zinc/87/22/22/526872222.db2.gz SLELMYOOENCGPJ-OAHLLOKOSA-N 2 1 260.381 2.293 20 30 CEEDMP C=CCOc1ccc(C[N@@H+]2CC[C@H](C[NH2+]C)C2)cc1 ZINC000347073746 526872225 /nfs/dbraw/zinc/87/22/25/526872225.db2.gz SLELMYOOENCGPJ-OAHLLOKOSA-N 2 1 260.381 2.293 20 30 CEEDMP C=CCc1cc(C[N@H+]2CC[C@@H](C[NH2+]C)C2)cc(OC)c1O ZINC000347134487 527238332 /nfs/dbraw/zinc/23/83/32/527238332.db2.gz SABVTYYIGGLRNA-ZDUSSCGKSA-N 2 1 290.407 2.171 20 30 CEEDMP C=CCc1cc(C[N@@H+]2CC[C@@H](C[NH2+]C)C2)cc(OC)c1O ZINC000347134487 527238335 /nfs/dbraw/zinc/23/83/35/527238335.db2.gz SABVTYYIGGLRNA-ZDUSSCGKSA-N 2 1 290.407 2.171 20 30 CEEDMP C[C@@H]1C[C@H](C)C[N@H+]([C@H]2CCCCC2=[NH+]n2cnnc2)C1 ZINC000751517754 575290977 /nfs/dbraw/zinc/29/09/77/575290977.db2.gz VUEXXXJTHRIDMG-GUTXKFCHSA-N 2 1 275.400 2.403 20 30 CEEDMP C[C@@H]1C[C@H](C)C[N@@H+]([C@H]2CCCCC2=[NH+]n2cnnc2)C1 ZINC000751517754 575290978 /nfs/dbraw/zinc/29/09/78/575290978.db2.gz VUEXXXJTHRIDMG-GUTXKFCHSA-N 2 1 275.400 2.403 20 30 CEEDMP C=C(C)C[NH2+]C1CCC(N(C)C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000963158453 613347226 /nfs/dbraw/zinc/34/72/26/613347226.db2.gz YNAMDRWXKXOQAK-UYSNPLJNSA-N 2 1 293.455 2.016 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(SC)cc1 ZINC000327993995 627742657 /nfs/dbraw/zinc/74/26/57/627742657.db2.gz MBPNBCVFSNNMFI-UHFFFAOYSA-N 2 1 262.422 2.453 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(SC)cc1 ZINC000327993995 627742662 /nfs/dbraw/zinc/74/26/62/627742662.db2.gz MBPNBCVFSNNMFI-UHFFFAOYSA-N 2 1 262.422 2.453 20 30 CEEDMP C[NH+](C)CCC[C@@H]1C[N@@H+](CC2CCC(C#N)CC2)CCO1 ZINC000931076781 628358596 /nfs/dbraw/zinc/35/85/96/628358596.db2.gz XHUIDZHDULDLSH-OFLPRAFFSA-N 2 1 293.455 2.359 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2COCC2(C)C)CC1 ZINC000894228909 629240004 /nfs/dbraw/zinc/24/00/04/629240004.db2.gz JEVDTUBORLTHRZ-AWEZNQCLSA-N 2 1 252.402 2.042 20 30 CEEDMP CC[NH+]=C(NC[C@@H]1CC[N@@H+](CC)C1)N1CC[C@@](C)(CC)C1 ZINC000261800642 629245794 /nfs/dbraw/zinc/24/57/94/629245794.db2.gz RLLYUSAHTSTUNX-DOTOQJQBSA-N 2 1 294.487 2.416 20 30 CEEDMP CCCC[N@@H+](C)CC1CC[NH+](CCO[C@@H](C)C#N)CC1 ZINC000801913376 631350873 /nfs/dbraw/zinc/35/08/73/631350873.db2.gz UNRFOJXLRMSIKG-HNNXBMFYSA-N 2 1 281.444 2.359 20 30 CEEDMP C=C1CCC(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)CC1 ZINC000898584898 632551401 /nfs/dbraw/zinc/55/14/01/632551401.db2.gz LTLZQYAQRBQOFN-HNNXBMFYSA-N 2 1 295.471 2.121 20 30 CEEDMP C=C1CCC(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)CC1 ZINC000898584898 632551404 /nfs/dbraw/zinc/55/14/04/632551404.db2.gz LTLZQYAQRBQOFN-HNNXBMFYSA-N 2 1 295.471 2.121 20 30 CEEDMP CC[C@H](NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1cccc(C#N)c1 ZINC000902793312 634835732 /nfs/dbraw/zinc/83/57/32/634835732.db2.gz HEIMBFNOJLQJFQ-KSZLIROESA-N 2 1 299.418 2.462 20 30 CEEDMP CC[C@H](NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1cccc(C#N)c1 ZINC000902793312 634835734 /nfs/dbraw/zinc/83/57/34/634835734.db2.gz HEIMBFNOJLQJFQ-KSZLIROESA-N 2 1 299.418 2.462 20 30 CEEDMP C=CCCn1cc(C[NH+]2CCC(C(C)(C)C[NH3+])CC2)nn1 ZINC000903791378 635263804 /nfs/dbraw/zinc/26/38/04/635263804.db2.gz WORSTSMWTQVXGQ-UHFFFAOYSA-N 2 1 291.443 2.051 20 30 CEEDMP N#Cc1ccc2c(c1)C[N@H+](CC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC000903932614 635358640 /nfs/dbraw/zinc/35/86/40/635358640.db2.gz TUUDWGYDBZLHQL-FUCXHRTASA-N 2 1 267.376 2.404 20 30 CEEDMP C[C@@H]1C[C@H](C[N@@H+](C)Cc2cc(C#N)cs2)CC[NH2+]1 ZINC000904469187 635646855 /nfs/dbraw/zinc/64/68/55/635646855.db2.gz JHZKGZIGAZNKKE-VXGBXAGGSA-N 2 1 263.410 2.440 20 30 CEEDMP CCC[N@H+]1CC[C@@H](CNC(NC(C)(C)C)=[NH+]CC2CC2)C1 ZINC000912505549 638712094 /nfs/dbraw/zinc/71/20/94/638712094.db2.gz GDFBGYOMJLXPMI-HNNXBMFYSA-N 2 1 294.487 2.462 20 30 CEEDMP CC(C)C[NH+]=C(NC[C@H]1CCC[N@H+]1C)NC(C)(C)C ZINC000912507814 638712957 /nfs/dbraw/zinc/71/29/57/638712957.db2.gz FLORKHAAYFSRLM-CYBMUJFWSA-N 2 1 268.449 2.070 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(OC)c(OCC)c1 ZINC000328254383 640760394 /nfs/dbraw/zinc/76/03/94/640760394.db2.gz JUZHTXDGPNHVMU-UHFFFAOYSA-N 2 1 290.407 2.139 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(OC)c(OCC)c1 ZINC000328254383 640760401 /nfs/dbraw/zinc/76/04/01/640760401.db2.gz JUZHTXDGPNHVMU-UHFFFAOYSA-N 2 1 290.407 2.139 20 30 CEEDMP CN(CCC#N)c1ccc(C[NH2+]CCC[NH+]2CCC2)cc1 ZINC000848545188 642045753 /nfs/dbraw/zinc/04/57/53/642045753.db2.gz BFUPZANWAKTIAH-UHFFFAOYSA-N 2 1 286.423 2.222 20 30 CEEDMP C[C@H](C[NH2+]Cc1csc(C#N)c1)C[NH+]1CCCC1 ZINC000921552466 642231952 /nfs/dbraw/zinc/23/19/52/642231952.db2.gz LFURZOGEWRDLKO-GFCCVEGCSA-N 2 1 263.410 2.441 20 30 CEEDMP CC[N@@H+](CCCNC(NC1CC1)=[NH+]C)C1CCCCC1 ZINC000849047291 642256462 /nfs/dbraw/zinc/25/64/62/642256462.db2.gz UASZSFVRSZSCST-UHFFFAOYSA-N 2 1 280.460 2.359 20 30 CEEDMP C=CCC[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001004206468 643116265 /nfs/dbraw/zinc/11/62/65/643116265.db2.gz AXBASUAYXJIJFK-INIZCTEOSA-N 2 1 293.455 2.018 20 30 CEEDMP C[C@H]1C[N@@H+](CCc2ccc(C#N)cc2)CC[C@@H]1C[NH3+] ZINC000923494048 643738593 /nfs/dbraw/zinc/73/85/93/643738593.db2.gz KEYVPOZJJFVHGQ-XJKSGUPXSA-N 2 1 257.381 2.017 20 30 CEEDMP C#CCOc1ccc(C[NH2+]C[C@H]2CCC[N@H+](C)C2)cc1 ZINC000113340149 644356913 /nfs/dbraw/zinc/35/69/13/644356913.db2.gz MXKDBQZOHKYORS-MRXNPFEDSA-N 2 1 272.392 2.130 20 30 CEEDMP C#CC[NH+]1CC[C@@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856598421 644697328 /nfs/dbraw/zinc/69/73/28/644697328.db2.gz HTXNYRMSNYYPJQ-QGZVFWFLSA-N 2 1 287.407 2.008 20 30 CEEDMP C#CC[N@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856598421 644697330 /nfs/dbraw/zinc/69/73/30/644697330.db2.gz HTXNYRMSNYYPJQ-QGZVFWFLSA-N 2 1 287.407 2.008 20 30 CEEDMP C#CC[N@@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856598421 644697331 /nfs/dbraw/zinc/69/73/31/644697331.db2.gz HTXNYRMSNYYPJQ-QGZVFWFLSA-N 2 1 287.407 2.008 20 30 CEEDMP C#C[C@H]1CC[C@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)CC1 ZINC000873197860 649585762 /nfs/dbraw/zinc/58/57/62/649585762.db2.gz GROXSWLGPUALIH-JOCQHMNTSA-N 2 1 277.437 2.486 20 30 CEEDMP C[C@@H]1C[NH2+]C[C@H]([NH2+]C2CCN(c3ccccc3C#N)CC2)C1 ZINC000873215886 649592930 /nfs/dbraw/zinc/59/29/30/649592930.db2.gz GFGMPGOFFLALGK-WMLDXEAASA-N 2 1 298.434 2.115 20 30 CEEDMP C[C@H]([NH2+][C@@H]1Cc2ccc(C#N)cc2C1)[C@@H]1CCCC[NH2+]1 ZINC000873275838 649621468 /nfs/dbraw/zinc/62/14/68/649621468.db2.gz ONVXFMDPAJNDSP-VUCTXSBTSA-N 2 1 269.392 2.146 20 30 CEEDMP C=CC[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@H+](CCC)C1)C(C)C ZINC001271886654 806127803 /nfs/dbraw/zinc/12/78/03/806127803.db2.gz VBIJCLMMYUNUNZ-CVEARBPZSA-N 2 1 295.471 2.025 20 30 CEEDMP C=CCC[NH2+]CCCNC(=O)CCn1cc[nH+]c1C(C)C ZINC001167581224 803155880 /nfs/dbraw/zinc/15/58/80/803155880.db2.gz TZQBSUQTNMWBOK-UHFFFAOYSA-N 2 1 292.427 2.069 20 30 CEEDMP C=C(C)CC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001038240507 803177361 /nfs/dbraw/zinc/17/73/61/803177361.db2.gz QJNPYOBIOBZFSF-HZPDHXFCSA-N 2 1 293.455 2.016 20 30 CEEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001267632073 803632900 /nfs/dbraw/zinc/63/29/00/803632900.db2.gz PBIGKIJSGMTJKO-JKSUJKDBSA-N 2 1 295.471 2.264 20 30 CEEDMP C=C(C)CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001027971719 804372329 /nfs/dbraw/zinc/37/23/29/804372329.db2.gz KRJAODJHCFGKMG-HZPDHXFCSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001027971719 804372339 /nfs/dbraw/zinc/37/23/39/804372339.db2.gz KRJAODJHCFGKMG-HZPDHXFCSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001027971719 804372346 /nfs/dbraw/zinc/37/23/46/804372346.db2.gz KRJAODJHCFGKMG-HZPDHXFCSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001027971719 804372354 /nfs/dbraw/zinc/37/23/54/804372354.db2.gz KRJAODJHCFGKMG-HZPDHXFCSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)C[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001268109271 804445565 /nfs/dbraw/zinc/44/55/65/804445565.db2.gz GPKGGJVTEYDTDT-HOTGVXAUSA-N 2 1 295.471 2.167 20 30 CEEDMP C=CCCC[NH+](C)CCN(C)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001268258768 804582925 /nfs/dbraw/zinc/58/29/25/804582925.db2.gz FGGFHXZYCKUTTG-MRXNPFEDSA-N 2 1 295.471 2.217 20 30 CEEDMP C=CCCC[N@@H+](C)CCN(C)C(=O)[C@H]1CCCC[NH+]1CC ZINC001268258768 804582929 /nfs/dbraw/zinc/58/29/29/804582929.db2.gz FGGFHXZYCKUTTG-MRXNPFEDSA-N 2 1 295.471 2.217 20 30 CEEDMP C=CCCC[N@H+](C)CCN(C)C(=O)[C@H]1CCCC[NH+]1CC ZINC001268258768 804582933 /nfs/dbraw/zinc/58/29/33/804582933.db2.gz FGGFHXZYCKUTTG-MRXNPFEDSA-N 2 1 295.471 2.217 20 30 CEEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CC)C[C@H]1CC ZINC001269182962 805072411 /nfs/dbraw/zinc/07/24/11/805072411.db2.gz RCUOTOFUVPRLBX-CVEARBPZSA-N 2 1 295.471 2.121 20 30 CEEDMP C=C(C)C[N@H+]1CC[C@]2(NC(=O)CCC[NH+](C)C)CCC[C@@H]12 ZINC001284069846 807052247 /nfs/dbraw/zinc/05/22/47/807052247.db2.gz QUMULXLVBOVOQQ-NVXWUHKLSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)[C@H]1C ZINC001089060956 807325949 /nfs/dbraw/zinc/32/59/49/807325949.db2.gz PNGWVRZYHJYPAS-OWCLPIDISA-N 2 1 293.455 2.016 20 30 CEEDMP C=CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)[C@H]1C ZINC001089060956 807325957 /nfs/dbraw/zinc/32/59/57/807325957.db2.gz PNGWVRZYHJYPAS-OWCLPIDISA-N 2 1 293.455 2.016 20 30 CEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)[C@H]1C ZINC001089060956 807325965 /nfs/dbraw/zinc/32/59/65/807325965.db2.gz PNGWVRZYHJYPAS-OWCLPIDISA-N 2 1 293.455 2.016 20 30 CEEDMP C#CC[C@@H](CO)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716625148 815137162 /nfs/dbraw/zinc/13/71/62/815137162.db2.gz LZKPLWRMRCZQEC-OKYOBFRVSA-N 2 1 298.430 2.013 20 30 CEEDMP C=CC[NH2+]CCCC[C@H](C)NC(=O)C(C)(C)[N@H+](C)CC ZINC001171586364 815192545 /nfs/dbraw/zinc/19/25/45/815192545.db2.gz MYUFMPVGEOWBFF-AWEZNQCLSA-N 2 1 283.460 2.167 20 30 CEEDMP C=C(C)C[NH+]1CCCC[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001034400280 809599673 /nfs/dbraw/zinc/59/96/73/809599673.db2.gz XIAYXQHAJYCQLR-CVEARBPZSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)C[N@H+]1CCCC[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001034400280 809599675 /nfs/dbraw/zinc/59/96/75/809599675.db2.gz XIAYXQHAJYCQLR-CVEARBPZSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)C[N@@H+]1CCCC[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001034400280 809599680 /nfs/dbraw/zinc/59/96/80/809599680.db2.gz XIAYXQHAJYCQLR-CVEARBPZSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001034537980 809628700 /nfs/dbraw/zinc/62/87/00/809628700.db2.gz GVJJBWBFKMEADY-CVEARBPZSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001034537980 809628705 /nfs/dbraw/zinc/62/87/05/809628705.db2.gz GVJJBWBFKMEADY-CVEARBPZSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001034642718 809649779 /nfs/dbraw/zinc/64/97/79/809649779.db2.gz JUTQRDUZFPABER-BZUAXINKSA-N 2 1 293.455 2.062 20 30 CEEDMP C[C@H]1C[N@@H+](Cc2ccccc2C#N)CCC[C@@H]1C[NH3+] ZINC001205996101 811306343 /nfs/dbraw/zinc/30/63/43/811306343.db2.gz UTVJUPHZRAOFOR-UONOGXRCSA-N 2 1 257.381 2.365 20 30 CEEDMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cc(C#N)cs1)C2 ZINC001169123351 811393896 /nfs/dbraw/zinc/39/38/96/811393896.db2.gz JUGMZZNMVKBHNL-XYYAHUGASA-N 2 1 261.394 2.335 20 30 CEEDMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cc(C#N)cs1)C2 ZINC001169123351 811393908 /nfs/dbraw/zinc/39/39/08/811393908.db2.gz JUGMZZNMVKBHNL-XYYAHUGASA-N 2 1 261.394 2.335 20 30 CEEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[C@H]1C ZINC001132106356 812787424 /nfs/dbraw/zinc/78/74/24/812787424.db2.gz TYRNYIFSRLZAJV-CABCVRRESA-N 2 1 293.455 2.016 20 30 CEEDMP C=CCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001052498390 812999434 /nfs/dbraw/zinc/99/94/34/812999434.db2.gz HGSYRCJXKVLQFE-CVEARBPZSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001052498390 812999443 /nfs/dbraw/zinc/99/94/43/812999443.db2.gz HGSYRCJXKVLQFE-CVEARBPZSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001052498390 812999450 /nfs/dbraw/zinc/99/94/50/812999450.db2.gz HGSYRCJXKVLQFE-CVEARBPZSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001134612379 813296787 /nfs/dbraw/zinc/29/67/87/813296787.db2.gz LUNBZWBDPXHXDX-GJZGRUSLSA-N 2 1 295.471 2.310 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+]Cc1ccc2ncccc2c1 ZINC000392782538 813307340 /nfs/dbraw/zinc/30/73/40/813307340.db2.gz RWYZLFPDFLLDJP-UHFFFAOYSA-N 2 1 267.376 2.280 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc2ncccc2c1 ZINC000392782538 813307346 /nfs/dbraw/zinc/30/73/46/813307346.db2.gz RWYZLFPDFLLDJP-UHFFFAOYSA-N 2 1 267.376 2.280 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1cccc(OCC)c1 ZINC000394227463 813366503 /nfs/dbraw/zinc/36/65/03/813366503.db2.gz MMFFKKXQLZJGKC-UHFFFAOYSA-N 2 1 260.381 2.130 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+]Cc1cccc(OCC)c1 ZINC000394227463 813366509 /nfs/dbraw/zinc/36/65/09/813366509.db2.gz MMFFKKXQLZJGKC-UHFFFAOYSA-N 2 1 260.381 2.130 20 30 CEEDMP C=C(C)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001135475973 813447004 /nfs/dbraw/zinc/44/70/04/813447004.db2.gz HMKUDDITVGMCBT-HUUCEWRRSA-N 2 1 297.487 2.413 20 30 CEEDMP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001170863644 813559574 /nfs/dbraw/zinc/55/95/74/813559574.db2.gz XHXWDDKFCXFDLK-BZUAXINKSA-N 2 1 295.471 2.167 20 30 CEEDMP CCCCCCCC[C@@H](O)C[NH2+][C@H]1C[C@@H]2C[NH2+][C@H]1C2 ZINC001246016817 813662210 /nfs/dbraw/zinc/66/22/10/813662210.db2.gz VJDNJYSQFFQDAZ-WCVJEAGWSA-N 2 1 268.445 2.438 20 30 CEEDMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(CC#N)cc3)C[C@@H]2C1 ZINC000399134460 813698798 /nfs/dbraw/zinc/69/87/98/813698798.db2.gz ZRNVDVXYDIFULR-SJORKVTESA-N 2 1 269.392 2.136 20 30 CEEDMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(CC#N)cc3)C[C@@H]2C1 ZINC000399134460 813698799 /nfs/dbraw/zinc/69/87/99/813698799.db2.gz ZRNVDVXYDIFULR-SJORKVTESA-N 2 1 269.392 2.136 20 30 CEEDMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(CC#N)cc3)C[C@@H]2C1 ZINC000399134460 813698803 /nfs/dbraw/zinc/69/88/03/813698803.db2.gz ZRNVDVXYDIFULR-SJORKVTESA-N 2 1 269.392 2.136 20 30 CEEDMP Cc1cc(C#N)ccc1C[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206196631 815624995 /nfs/dbraw/zinc/62/49/95/815624995.db2.gz CJDGACICFOSVMK-CABCVRRESA-N 2 1 261.344 2.128 20 30 CEEDMP C[N@H+]1CC[C@@H]2C[NH+](C3CCC(CC#N)CC3)C[C@@H]2C1 ZINC001173335873 815680104 /nfs/dbraw/zinc/68/01/04/815680104.db2.gz FLQHJFGMMBBJFX-FYRZTWFESA-N 2 1 261.413 2.342 20 30 CEEDMP C[NH+]1CC[C@@H]2C[N@@H+](C3CCC(CC#N)CC3)C[C@@H]2C1 ZINC001173335873 815680106 /nfs/dbraw/zinc/68/01/06/815680106.db2.gz FLQHJFGMMBBJFX-FYRZTWFESA-N 2 1 261.413 2.342 20 30 CEEDMP C[NH+]1CC[C@@H]2C[N@H+](C3CCC(CC#N)CC3)C[C@@H]2C1 ZINC001173335873 815680110 /nfs/dbraw/zinc/68/01/10/815680110.db2.gz FLQHJFGMMBBJFX-FYRZTWFESA-N 2 1 261.413 2.342 20 30 CEEDMP N#Cc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000008582154 343362884 /nfs/dbraw/zinc/36/28/84/343362884.db2.gz BVURDHYGICHLGC-INIZCTEOSA-N 2 1 255.365 2.134 20 30 CEEDMP N#Cc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000008582154 343362885 /nfs/dbraw/zinc/36/28/85/343362885.db2.gz BVURDHYGICHLGC-INIZCTEOSA-N 2 1 255.365 2.134 20 30 CEEDMP [NH2+]=C(NC[C@H]1CCCC[N@H+]1Cc1ccccc1)NC1CC1 ZINC000066243799 343709824 /nfs/dbraw/zinc/70/98/24/343709824.db2.gz OJFFBBYLEOOQCI-MRXNPFEDSA-N 2 1 286.423 2.108 20 30 CEEDMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)CC2(C#N)CCOCC2)C1 ZINC000602523000 347066357 /nfs/dbraw/zinc/06/63/57/347066357.db2.gz YCBDNPNJEMFBJM-LSDHHAIUSA-N 2 1 279.428 2.017 20 30 CEEDMP N#CCc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000399137769 344856862 /nfs/dbraw/zinc/85/68/62/344856862.db2.gz SDOULUFPOVLHCP-DLBZAZTESA-N 2 1 269.392 2.469 20 30 CEEDMP C[NH+]1CCC([NH2+]Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000594920084 345702106 /nfs/dbraw/zinc/70/21/06/345702106.db2.gz RQTGAMUFJNDXAQ-UHFFFAOYSA-N 2 1 269.392 2.426 20 30 CEEDMP C[C@@H]([NH2+]CCc1ccc(C#N)cc1)c1c[nH+]ccc1N ZINC000596652426 346072136 /nfs/dbraw/zinc/07/21/36/346072136.db2.gz UHDSGOFYAKWFDO-GFCCVEGCSA-N 2 1 266.348 2.259 20 30 CEEDMP C[NH+](C)CCC[C@@H]1C[N@@H+](CC(C)(C)CCC#N)CCO1 ZINC000597247906 346161796 /nfs/dbraw/zinc/16/17/96/346161796.db2.gz IMQAKILSIGJZAI-OAHLLOKOSA-N 2 1 281.444 2.359 20 30 CEEDMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)CC(C)(C)C#N)C[C@H]1C ZINC000598596875 346380868 /nfs/dbraw/zinc/38/08/68/346380868.db2.gz USPJGNDQXYRQTO-ILXRZTDVSA-N 2 1 281.444 2.092 20 30 CEEDMP Cc1ccc(C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cc1C#N ZINC000600699791 346673698 /nfs/dbraw/zinc/67/36/98/346673698.db2.gz DGHCVWXEFVUING-HIFRSBDPSA-N 2 1 257.381 2.426 20 30 CEEDMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc(C)c(C#N)c2)C1 ZINC000600707049 346674223 /nfs/dbraw/zinc/67/42/23/346674223.db2.gz XFNHWAIWXFOXCY-HNNXBMFYSA-N 2 1 257.381 2.298 20 30 CEEDMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(C)c(C#N)c2)C1 ZINC000600707049 346674225 /nfs/dbraw/zinc/67/42/25/346674225.db2.gz XFNHWAIWXFOXCY-HNNXBMFYSA-N 2 1 257.381 2.298 20 30 CEEDMP C[C@H]1CC[C@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C[NH2+]1 ZINC000600710532 346675844 /nfs/dbraw/zinc/67/58/44/346675844.db2.gz ODKBTJQAEGFTAJ-YOEHRIQHSA-N 2 1 298.434 2.257 20 30 CEEDMP C[C@@H](CC1(C#N)CCOCC1)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000602687113 347147038 /nfs/dbraw/zinc/14/70/38/347147038.db2.gz ILARXYQSRAJLLQ-JKSUJKDBSA-N 2 1 293.455 2.407 20 30 CEEDMP N#C[C@H]1CC[C@H]([N@H+]2CCCN(c3cc[nH+]cc3)CC2)C1 ZINC000602848382 347223565 /nfs/dbraw/zinc/22/35/65/347223565.db2.gz MPUORDGVBGDGGE-HOCLYGCPSA-N 2 1 270.380 2.286 20 30 CEEDMP N#C[C@@H]1CC[C@@H]([N@H+]2CCCN(c3cc[nH+]cc3)CC2)C1 ZINC000602848380 347223747 /nfs/dbraw/zinc/22/37/47/347223747.db2.gz MPUORDGVBGDGGE-GDBMZVCRSA-N 2 1 270.380 2.286 20 30 CEEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC000106034066 186099918 /nfs/dbraw/zinc/09/99/18/186099918.db2.gz SGLHLMGXGCRDFX-INIZCTEOSA-N 2 1 293.455 2.018 20 30 CEEDMP C#CC[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000306682624 539800550 /nfs/dbraw/zinc/80/05/50/539800550.db2.gz RWXBEDFMNLAQMR-IRXDYDNUSA-N 2 1 254.377 2.074 20 30 CEEDMP C#CC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000306682624 539800554 /nfs/dbraw/zinc/80/05/54/539800554.db2.gz RWXBEDFMNLAQMR-IRXDYDNUSA-N 2 1 254.377 2.074 20 30 CEEDMP C#CC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000306682624 539800558 /nfs/dbraw/zinc/80/05/58/539800558.db2.gz RWXBEDFMNLAQMR-IRXDYDNUSA-N 2 1 254.377 2.074 20 30 CEEDMP C#CC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000306682624 539800563 /nfs/dbraw/zinc/80/05/63/539800563.db2.gz RWXBEDFMNLAQMR-IRXDYDNUSA-N 2 1 254.377 2.074 20 30 CEEDMP CC(C)[NH+]1CCN(CCC[N@H+](C[C@H](C)C#N)C2CC2)CC1 ZINC000337321327 366141865 /nfs/dbraw/zinc/14/18/65/366141865.db2.gz PXJGOAPOZBQUIO-MRXNPFEDSA-N 2 1 292.471 2.027 20 30 CEEDMP C=CCC[C@@H](O)C[NH+]1CCC([N@H+]2CCC[C@H]2C)CC1 ZINC000134683960 366351872 /nfs/dbraw/zinc/35/18/72/366351872.db2.gz AGWBOKYKWKJMOO-GDBMZVCRSA-N 2 1 266.429 2.262 20 30 CEEDMP C=CCC[C@@H](O)C[NH+]1CCC([N@@H+]2CCC[C@H]2C)CC1 ZINC000134683960 366351878 /nfs/dbraw/zinc/35/18/78/366351878.db2.gz AGWBOKYKWKJMOO-GDBMZVCRSA-N 2 1 266.429 2.262 20 30 CEEDMP C[C@@]1(CNC(=[NH2+])NC2CC2)CCC[N@H+]1Cc1ccccc1 ZINC000153555771 366736039 /nfs/dbraw/zinc/73/60/39/366736039.db2.gz AIEXWQRWCHESTO-KRWDZBQOSA-N 2 1 286.423 2.108 20 30 CEEDMP N#Cc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000334979878 364303964 /nfs/dbraw/zinc/30/39/64/364303964.db2.gz JWGSVCMYBPILRS-SJORKVTESA-N 2 1 269.392 2.380 20 30 CEEDMP C[N@H+](CCCC#N)[C@H]1CCC[NH+](CCCC#N)CC1 ZINC000156990887 366840278 /nfs/dbraw/zinc/84/02/78/366840278.db2.gz QUSXEDVONRXZEG-HNNXBMFYSA-N 2 1 262.401 2.380 20 30 CEEDMP C[N@@H+](CCCC#N)[C@H]1CCC[NH+](CCCC#N)CC1 ZINC000156990887 366840281 /nfs/dbraw/zinc/84/02/81/366840281.db2.gz QUSXEDVONRXZEG-HNNXBMFYSA-N 2 1 262.401 2.380 20 30 CEEDMP C[NH+](CCCC#N)[C@H]1CCC[N@H+](CCCC#N)CC1 ZINC000156990887 366840282 /nfs/dbraw/zinc/84/02/82/366840282.db2.gz QUSXEDVONRXZEG-HNNXBMFYSA-N 2 1 262.401 2.380 20 30 CEEDMP C[NH+](CCCC#N)[C@H]1CCC[N@@H+](CCCC#N)CC1 ZINC000156990887 366840286 /nfs/dbraw/zinc/84/02/86/366840286.db2.gz QUSXEDVONRXZEG-HNNXBMFYSA-N 2 1 262.401 2.380 20 30 CEEDMP Cn1ccnc1[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC000335748369 364924973 /nfs/dbraw/zinc/92/49/73/364924973.db2.gz UOHIWRFKEOSECP-AWEZNQCLSA-N 2 1 284.338 2.420 20 30 CEEDMP N#Cc1ccc(CN2CCC(c3c[nH]cn3)CC2)o1 ZINC000335910986 365151016 /nfs/dbraw/zinc/15/10/16/365151016.db2.gz PXMCRTSYSZGWOO-UHFFFAOYSA-N 2 1 256.309 2.254 20 30 CEEDMP C=CC[NH+](C)CCN(CC)CC[C@@H]1CCCC[N@H+]1C ZINC000582406629 366907927 /nfs/dbraw/zinc/90/79/27/366907927.db2.gz XLSJHPGHLIJKCK-INIZCTEOSA-N 2 1 267.461 2.301 20 30 CEEDMP C=CC[N@@H+](C)CCN(CC)CC[C@@H]1CCCC[NH+]1C ZINC000582406629 366907932 /nfs/dbraw/zinc/90/79/32/366907932.db2.gz XLSJHPGHLIJKCK-INIZCTEOSA-N 2 1 267.461 2.301 20 30 CEEDMP C=CC[N@H+](C)CCN(CC)CC[C@@H]1CCCC[NH+]1C ZINC000582406629 366907935 /nfs/dbraw/zinc/90/79/35/366907935.db2.gz XLSJHPGHLIJKCK-INIZCTEOSA-N 2 1 267.461 2.301 20 30 CEEDMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(CC#N)cc2)C1 ZINC000343550858 367878367 /nfs/dbraw/zinc/87/83/67/367878367.db2.gz LOHYRTCRUINHMZ-INIZCTEOSA-N 2 1 257.381 2.136 20 30 CEEDMP C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+](C)CCCn1ccnc1 ZINC000181105691 368423040 /nfs/dbraw/zinc/42/30/40/368423040.db2.gz WUFHTBFANMXIFQ-OAHLLOKOSA-N 2 1 292.427 2.018 20 30 CEEDMP C=CCCC[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634712971 368835117 /nfs/dbraw/zinc/83/51/17/368835117.db2.gz OYZPVYYNTIOPCR-QGZVFWFLSA-N 2 1 274.408 2.179 20 30 CEEDMP C=CCCC[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634712971 368835118 /nfs/dbraw/zinc/83/51/18/368835118.db2.gz OYZPVYYNTIOPCR-QGZVFWFLSA-N 2 1 274.408 2.179 20 30 CEEDMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2cc(C#N)n(C)c2)C1 ZINC000190772383 369650526 /nfs/dbraw/zinc/65/05/26/369650526.db2.gz SDCZTPYRGNUVMO-OAHLLOKOSA-N 2 1 288.439 2.498 20 30 CEEDMP C=C(C)CC[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000351759759 369651519 /nfs/dbraw/zinc/65/15/19/369651519.db2.gz STHIAOWDSVYTDV-QLFBSQMISA-N 2 1 252.402 2.136 20 30 CEEDMP C[N@H+](CCCO)C1CC[NH+](CCCC(C)(C)C#N)CC1 ZINC000174864649 261200999 /nfs/dbraw/zinc/20/09/99/261200999.db2.gz USIGCVKTDABZHN-UHFFFAOYSA-N 2 1 281.444 2.095 20 30 CEEDMP C[N@@H+](CCCO)C1CC[NH+](CCCC(C)(C)C#N)CC1 ZINC000174864649 261201001 /nfs/dbraw/zinc/20/10/01/261201001.db2.gz USIGCVKTDABZHN-UHFFFAOYSA-N 2 1 281.444 2.095 20 30 CEEDMP N#CCC[C@H](C#N)CN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000246824410 371017073 /nfs/dbraw/zinc/01/70/73/371017073.db2.gz NWRFMOJZAQQRIN-BFYDXBDKSA-N 2 1 286.423 2.379 20 30 CEEDMP C=CCCC[C@H](C)[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639766385 371555211 /nfs/dbraw/zinc/55/52/11/371555211.db2.gz NSNPSPZBUFWVHS-LSDHHAIUSA-N 2 1 254.418 2.120 20 30 CEEDMP C=CCc1cc(C[N@@H+]2CC[C@](C)(C[NH3+])C2)cc(OC)c1O ZINC000261683257 371701037 /nfs/dbraw/zinc/70/10/37/371701037.db2.gz KEHWKJTUHSDYPX-QGZVFWFLSA-N 2 1 290.407 2.300 20 30 CEEDMP C=CCc1cc(C[N@H+]2CC[C@](C)(C[NH3+])C2)cc(OC)c1O ZINC000261683257 371701045 /nfs/dbraw/zinc/70/10/45/371701045.db2.gz KEHWKJTUHSDYPX-QGZVFWFLSA-N 2 1 290.407 2.300 20 30 CEEDMP CCC[N@H+]1CC[C@H](CNC(=[NH2+])Nc2ccccc2)C1 ZINC000264110704 371972018 /nfs/dbraw/zinc/97/20/18/371972018.db2.gz QTOYDEOIMUCCPG-CYBMUJFWSA-N 2 1 260.385 2.145 20 30 CEEDMP Cc1ccc([C@H](CNC(=[NH2+])NCC(C)C)[NH+]2CCCC2)o1 ZINC000264232988 371987833 /nfs/dbraw/zinc/98/78/33/371987833.db2.gz CQLCEMZYNFZDCU-AWEZNQCLSA-N 2 1 292.427 2.285 20 30 CEEDMP C=C(C)[C@@H]1OCC[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000367204954 373141441 /nfs/dbraw/zinc/14/14/41/373141441.db2.gz FTDXCODLICDYCF-IXIBIKRGSA-N 2 1 264.413 2.182 20 30 CEEDMP C[C@H](NC(=O)[C@@H]1CCn2ccnc2C1)C1=CC[N@@H+](C)CC1 ZINC000329702877 377000095 /nfs/dbraw/zinc/00/00/95/377000095.db2.gz IJYFSVLUSIYDNE-GXTWGEPZSA-N 2 1 288.395 2.052 20 30 CEEDMP C[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccc(C#N)cc1F ZINC000423206065 377121554 /nfs/dbraw/zinc/12/15/54/377121554.db2.gz FRWIUQMNRQMHPW-AAEUAGOBSA-N 2 1 261.344 2.348 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCc2c(cccc2OC)C1 ZINC000294914765 378027605 /nfs/dbraw/zinc/02/76/05/378027605.db2.gz GMJFVKDVJWPUQK-MRXNPFEDSA-N 2 1 286.419 2.097 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCc2c(cccc2OC)C1 ZINC000294914765 378027608 /nfs/dbraw/zinc/02/76/08/378027608.db2.gz GMJFVKDVJWPUQK-MRXNPFEDSA-N 2 1 286.419 2.097 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCCNc2ccccc21 ZINC000294988930 378034372 /nfs/dbraw/zinc/03/43/72/378034372.db2.gz LEBCKBJEEICFGP-QGZVFWFLSA-N 2 1 271.408 2.478 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCCNc2ccccc21 ZINC000294988930 378034374 /nfs/dbraw/zinc/03/43/74/378034374.db2.gz LEBCKBJEEICFGP-QGZVFWFLSA-N 2 1 271.408 2.478 20 30 CEEDMP C#CCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000266175953 190237164 /nfs/dbraw/zinc/23/71/64/190237164.db2.gz SWGORTCJVVEQMU-GDBMZVCRSA-N 2 1 272.392 2.271 20 30 CEEDMP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]Cc2cc(C#N)n(C)c2)C1 ZINC000190774142 130146000 /nfs/dbraw/zinc/14/60/00/130146000.db2.gz YXLPGYSMLZXPEM-GJZGRUSLSA-N 2 1 288.439 2.354 20 30 CEEDMP C=CCCCC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000359101419 394741481 /nfs/dbraw/zinc/74/14/81/394741481.db2.gz IFHVHDRYSWXNJR-INIZCTEOSA-N 2 1 295.471 2.217 20 30 CEEDMP C[N@H+]1CCC[C@@H]1CNC(=[NH2+])Nc1cccc2c1CCCC2 ZINC000267203490 394674091 /nfs/dbraw/zinc/67/40/91/394674091.db2.gz FFABMRVYNSJBNB-CQSZACIVSA-N 2 1 286.423 2.386 20 30 CEEDMP CC#CC[NH+]1CCC(CCC[N@H+](C)CCOC)CC1 ZINC000122050889 394808329 /nfs/dbraw/zinc/80/83/29/394808329.db2.gz AVYGHQGQKCTZLU-UHFFFAOYSA-N 2 1 266.429 2.080 20 30 CEEDMP C=CCCC[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000372353663 395040523 /nfs/dbraw/zinc/04/05/23/395040523.db2.gz HCNGMSXTRWYGON-BZUAXINKSA-N 2 1 266.429 2.432 20 30 CEEDMP C=C(C)CC[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000351759762 395231904 /nfs/dbraw/zinc/23/19/04/395231904.db2.gz STHIAOWDSVYTDV-SOUVJXGZSA-N 2 1 252.402 2.136 20 30 CEEDMP C=CC[C@@H]1CC[C@@H]([NH2+]CCC[N@H+](C)CCOC)C1 ZINC000651677041 401370350 /nfs/dbraw/zinc/37/03/50/401370350.db2.gz VSMZOOJMPZCNHD-HUUCEWRRSA-N 2 1 254.418 2.289 20 30 CEEDMP C=CC[C@H]1CC[C@@H]([NH2+]CCC[N@H+](C)CCOC)C1 ZINC000651677042 401370374 /nfs/dbraw/zinc/37/03/74/401370374.db2.gz VSMZOOJMPZCNHD-LSDHHAIUSA-N 2 1 254.418 2.289 20 30 CEEDMP C=CC[N@@H+](CCCCn1cc[nH+]c1C)[C@@H](C)COC ZINC000661242265 415154825 /nfs/dbraw/zinc/15/48/25/415154825.db2.gz MFUYBOFNPDGNNV-AWEZNQCLSA-N 2 1 265.401 2.495 20 30 CEEDMP C=CC[N@H+](CCCCn1cc[nH+]c1C)[C@@H](C)COC ZINC000661242265 415154829 /nfs/dbraw/zinc/15/48/29/415154829.db2.gz MFUYBOFNPDGNNV-AWEZNQCLSA-N 2 1 265.401 2.495 20 30 CEEDMP C=CC[C@]1(C(=O)NC[C@@H](C)[N@H+]2CCCC[C@H]2C)CCC[NH2+]1 ZINC000662680422 415928721 /nfs/dbraw/zinc/92/87/21/415928721.db2.gz VAEAWRNLIZNABS-BFYDXBDKSA-N 2 1 293.455 2.064 20 30 CEEDMP CC#CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000280281034 263060296 /nfs/dbraw/zinc/06/02/96/263060296.db2.gz DOVORBPDHFOYES-HDICACEKSA-N 2 1 268.404 2.464 20 30 CEEDMP CC#CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000280281034 263060297 /nfs/dbraw/zinc/06/02/97/263060297.db2.gz DOVORBPDHFOYES-HDICACEKSA-N 2 1 268.404 2.464 20 30 CEEDMP CC#CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000280281034 263060298 /nfs/dbraw/zinc/06/02/98/263060298.db2.gz DOVORBPDHFOYES-HDICACEKSA-N 2 1 268.404 2.464 20 30 CEEDMP CCCn1cc[nH+]c1CCC[N@H+](C)CCOCCC#N ZINC000294315618 263159728 /nfs/dbraw/zinc/15/97/28/263159728.db2.gz XQUXNCZHWIJYFB-UHFFFAOYSA-N 2 1 278.400 2.088 20 30 CEEDMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCOCCC#N ZINC000294315618 263159729 /nfs/dbraw/zinc/15/97/29/263159729.db2.gz XQUXNCZHWIJYFB-UHFFFAOYSA-N 2 1 278.400 2.088 20 30 CEEDMP C=CCOc1ccccc1C[NH2+]CCC[NH2+]C1CC1 ZINC000415063770 263259093 /nfs/dbraw/zinc/25/90/93/263259093.db2.gz AVYRODUTYZLQSP-UHFFFAOYSA-N 2 1 260.381 2.483 20 30 CEEDMP C=CCSCC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000367601600 267102704 /nfs/dbraw/zinc/10/27/04/267102704.db2.gz OPXITYIETQCMKH-MGPQQGTHSA-N 2 1 254.443 2.368 20 30 CEEDMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000333221430 274307573 /nfs/dbraw/zinc/30/75/73/274307573.db2.gz ACARPIAGMMJVJF-RDTXWAMCSA-N 2 1 298.434 2.115 20 30 CEEDMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccc(C#N)cc2)C1 ZINC000269128667 277181698 /nfs/dbraw/zinc/18/16/98/277181698.db2.gz HGSGXQIEAYYUCW-IRXDYDNUSA-N 2 1 269.392 2.474 20 30 CEEDMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccc(C#N)cc2)C1 ZINC000269128667 277181699 /nfs/dbraw/zinc/18/16/99/277181699.db2.gz HGSGXQIEAYYUCW-IRXDYDNUSA-N 2 1 269.392 2.474 20 30 CEEDMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccc(C#N)cc2)C1 ZINC000269128667 277181701 /nfs/dbraw/zinc/18/17/01/277181701.db2.gz HGSGXQIEAYYUCW-IRXDYDNUSA-N 2 1 269.392 2.474 20 30 CEEDMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CCC(C)(C)C#N ZINC000345734980 289332278 /nfs/dbraw/zinc/33/22/78/289332278.db2.gz ZJMGHFZTVICMAD-QLFBSQMISA-N 2 1 279.428 2.110 20 30 CEEDMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(OCC#N)cc2)C1 ZINC000266639991 328170063 /nfs/dbraw/zinc/17/00/63/328170063.db2.gz TXGFFEGVTNWCMR-MRXNPFEDSA-N 2 1 287.407 2.363 20 30 CEEDMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(OCC#N)cc2)C1 ZINC000266639991 328170064 /nfs/dbraw/zinc/17/00/64/328170064.db2.gz TXGFFEGVTNWCMR-MRXNPFEDSA-N 2 1 287.407 2.363 20 30 CEEDMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(OCC#N)cc2)C1 ZINC000266639991 328170066 /nfs/dbraw/zinc/17/00/66/328170066.db2.gz TXGFFEGVTNWCMR-MRXNPFEDSA-N 2 1 287.407 2.363 20 30 CEEDMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(OCC#N)cc2)C1 ZINC000266639991 328170067 /nfs/dbraw/zinc/17/00/67/328170067.db2.gz TXGFFEGVTNWCMR-MRXNPFEDSA-N 2 1 287.407 2.363 20 30 CEEDMP C=CCc1cc(C[NH2+]C[C@H]([NH3+])C(C)C)cc(OC)c1O ZINC000414793697 328228594 /nfs/dbraw/zinc/22/85/94/328228594.db2.gz LCUSQSXTKSBRIO-AWEZNQCLSA-N 2 1 278.396 2.202 20 30 CEEDMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CC(C)(C)CC#N ZINC000423168667 330174157 /nfs/dbraw/zinc/17/41/57/330174157.db2.gz HQEDTVBOLZTNRA-DZGCQCFKSA-N 2 1 259.397 2.474 20 30 CEEDMP N#C[C@H]1CCC[C@@H]([NH2+]CCC[NH2+]Cc2cccnc2)C1 ZINC000423183299 330175314 /nfs/dbraw/zinc/17/53/14/330175314.db2.gz GEDOGZSXGUTDFJ-GOEBONIOSA-N 2 1 272.396 2.233 20 30 CEEDMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCCC#N)[C@@H](C)C1 ZINC000248444744 334302147 /nfs/dbraw/zinc/30/21/47/334302147.db2.gz BRWHBDZXVGPELV-LSDHHAIUSA-N 2 1 267.417 2.017 20 30 CEEDMP C=CC[NH+]1CCC([NH2+]C[C@@H](O)CCC(C)C)CC1 ZINC000578232287 335589182 /nfs/dbraw/zinc/58/91/82/335589182.db2.gz NWJLJXLUTFRUQJ-HNNXBMFYSA-N 2 1 254.418 2.024 20 30 CEEDMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC000404108024 527814373 /nfs/dbraw/zinc/81/43/73/527814373.db2.gz IMODRALRRAALMM-CYBMUJFWSA-N 2 1 261.344 2.129 20 30 CEEDMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC000404108024 527814375 /nfs/dbraw/zinc/81/43/75/527814375.db2.gz IMODRALRRAALMM-CYBMUJFWSA-N 2 1 261.344 2.129 20 30 CEEDMP CCCCCCC[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000740876881 574970794 /nfs/dbraw/zinc/97/07/94/574970794.db2.gz MEOWWZBGJDRHJP-UHFFFAOYSA-N 2 1 295.471 2.197 20 30 CEEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1C ZINC000947615814 613740705 /nfs/dbraw/zinc/74/07/05/613740705.db2.gz LJSCMRKTCYQMJS-LSDHHAIUSA-N 2 1 293.455 2.016 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+]C2CCC3(CC2)OCCO3)CC1 ZINC000161027288 623739577 /nfs/dbraw/zinc/73/95/77/623739577.db2.gz OUNISGVXOVBQNN-UHFFFAOYSA-N 2 1 294.439 2.302 20 30 CEEDMP CC(C)NC(=[NH2+])NC[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000162455055 628301904 /nfs/dbraw/zinc/30/19/04/628301904.db2.gz SQXWMFYYAVGFLO-KRWDZBQOSA-N 2 1 288.439 2.354 20 30 CEEDMP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]Cc2nc(C#N)cs2)C1 ZINC000902443895 634661139 /nfs/dbraw/zinc/66/11/39/634661139.db2.gz FSMBMJQQXUFBQY-NXEZZACHSA-N 2 1 264.398 2.010 20 30 CEEDMP C=C(C)CNC(=[NH2+])NC[C@H]1CCCC[N@@H+]1CCCC ZINC000104181580 628711645 /nfs/dbraw/zinc/71/16/45/628711645.db2.gz QNPRNZHBIQHCPZ-CQSZACIVSA-N 2 1 266.433 2.121 20 30 CEEDMP N#Cc1ccc(N2CCC([NH2+][C@@H]3C[C@H]4CC[C@@H]3[NH2+]4)CC2)cc1 ZINC000902467654 634684914 /nfs/dbraw/zinc/68/49/14/634684914.db2.gz QSLDBUKLFAUXBX-BPQIPLTHSA-N 2 1 296.418 2.010 20 30 CEEDMP CC[NH+]=C(NCC(C)(C)C)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000262024950 629449271 /nfs/dbraw/zinc/44/92/71/629449271.db2.gz ZLKGBESCJYSYHP-GXTWGEPZSA-N 2 1 280.460 2.070 20 30 CEEDMP C#CC[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C(C)C ZINC000897171041 630973691 /nfs/dbraw/zinc/97/36/91/630973691.db2.gz OSSLLOHQOLQDTB-UHFFFAOYSA-N 2 1 285.435 2.282 20 30 CEEDMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CC[C@H](C#N)C2)cn1 ZINC000799714929 631067753 /nfs/dbraw/zinc/06/77/53/631067753.db2.gz JAPDBLUPSYYNGA-ZFWWWQNUSA-N 2 1 281.363 2.358 20 30 CEEDMP C#CC[N@@H+](C)CCCNc1cc[nH+]c2c(O)cccc12 ZINC000814929452 632932723 /nfs/dbraw/zinc/93/27/23/632932723.db2.gz KJPXPULLCBCDMN-UHFFFAOYSA-N 2 1 269.348 2.307 20 30 CEEDMP C#CC[N@@H+](C)CCCNc1cc[nH+]c2ccc(C)cc12 ZINC000814929464 632932764 /nfs/dbraw/zinc/93/27/64/632932764.db2.gz KSJYODMUWHOJEQ-UHFFFAOYSA-N 2 1 267.376 2.332 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCC[C@H]2OC)CC1 ZINC000903093479 634975037 /nfs/dbraw/zinc/97/50/37/634975037.db2.gz ROGIELSJHVNUNC-LSDHHAIUSA-N 2 1 252.402 2.184 20 30 CEEDMP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2cc(Cl)cc(C#N)c2)C1 ZINC000903447412 635133205 /nfs/dbraw/zinc/13/32/05/635133205.db2.gz RFZWBYYAKZCINB-GWCFXTLKSA-N 2 1 263.772 2.381 20 30 CEEDMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cc(Cl)cc(C#N)c2)C1 ZINC000903447412 635133207 /nfs/dbraw/zinc/13/32/07/635133207.db2.gz RFZWBYYAKZCINB-GWCFXTLKSA-N 2 1 263.772 2.381 20 30 CEEDMP C=CC[N@H+](Cc1ccccc1)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903723923 635237564 /nfs/dbraw/zinc/23/75/64/635237564.db2.gz ZJVLUADLQCPGSH-ZWKOTPCHSA-N 2 1 286.419 2.443 20 30 CEEDMP Cc1cc(C#N)cc(C)c1C[N@@H+]1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903861135 635313268 /nfs/dbraw/zinc/31/32/68/635313268.db2.gz VMPICGRJIZJKMA-NVXWUHKLSA-N 2 1 269.392 2.488 20 30 CEEDMP Cc1cc(C#N)cc(C)c1C[N@H+]1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903861135 635313275 /nfs/dbraw/zinc/31/32/75/635313275.db2.gz VMPICGRJIZJKMA-NVXWUHKLSA-N 2 1 269.392 2.488 20 30 CEEDMP C[NH+]1CCN([NH+]=Cc2ccccc2N2CCCCC2)CC1 ZINC000916248270 640747434 /nfs/dbraw/zinc/74/74/34/640747434.db2.gz WWJTVIQCHRUYGQ-UHFFFAOYSA-N 2 1 286.423 2.258 20 30 CEEDMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2csc(C#N)c2)C1 ZINC000921625357 642286576 /nfs/dbraw/zinc/28/65/76/642286576.db2.gz SIASWHXKHNZROE-LBPRGKRZSA-N 2 1 263.410 2.441 20 30 CEEDMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2csc(C#N)c2)C1 ZINC000921625357 642286581 /nfs/dbraw/zinc/28/65/81/642286581.db2.gz SIASWHXKHNZROE-LBPRGKRZSA-N 2 1 263.410 2.441 20 30 CEEDMP C[C@H](C#N)Oc1ccc(C[NH2+]CC2=CC[N@@H+](C)CC2)cc1 ZINC000776257565 647043024 /nfs/dbraw/zinc/04/30/24/647043024.db2.gz MGULXCWVLNGADE-CQSZACIVSA-N 2 1 285.391 2.329 20 30 CEEDMP C#CC[N@@H+](C)CCCN[C@H](c1ccccn1)C(C)C ZINC000866363755 647756933 /nfs/dbraw/zinc/75/69/33/647756933.db2.gz NRLSDIUDWKPAFL-INIZCTEOSA-N 2 1 259.397 2.323 20 30 CEEDMP C#CC[N@H+](C)CCCN[C@H](c1ccccn1)C(C)C ZINC000866363755 647756935 /nfs/dbraw/zinc/75/69/35/647756935.db2.gz NRLSDIUDWKPAFL-INIZCTEOSA-N 2 1 259.397 2.323 20 30 CEEDMP N#Cc1ccc(CC[N@H+]2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1 ZINC000872149780 649297521 /nfs/dbraw/zinc/29/75/21/649297521.db2.gz QGTLRLBOUHFCNH-ZIAGYGMSSA-N 2 1 297.324 2.170 20 30 CEEDMP N#Cc1ccc(CC[N@@H+]2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1 ZINC000872149780 649297524 /nfs/dbraw/zinc/29/75/24/649297524.db2.gz QGTLRLBOUHFCNH-ZIAGYGMSSA-N 2 1 297.324 2.170 20 30 CEEDMP C[C@@H]1C[N@H+]([C@H]2CC[C@@H](C#N)C2)CCN1c1cc[nH+]cc1 ZINC000880259781 651412208 /nfs/dbraw/zinc/41/22/08/651412208.db2.gz IRKAGUUIHSFWEX-FMKPAKJESA-N 2 1 270.380 2.284 20 30 CEEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@H]1CC ZINC001087523253 805666186 /nfs/dbraw/zinc/66/61/86/805666186.db2.gz OOAPVPXGLXUDJO-XHSDSOJGSA-N 2 1 293.455 2.016 20 30 CEEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)[C@H]1CC ZINC001087523253 805666187 /nfs/dbraw/zinc/66/61/87/805666187.db2.gz OOAPVPXGLXUDJO-XHSDSOJGSA-N 2 1 293.455 2.016 20 30 CEEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)[C@H]1CC ZINC001087523253 805666188 /nfs/dbraw/zinc/66/61/88/805666188.db2.gz OOAPVPXGLXUDJO-XHSDSOJGSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CCCC[NH2+]CCCNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001168029959 805822199 /nfs/dbraw/zinc/82/21/99/805822199.db2.gz LAFMPYSVLJZJHU-HOTGVXAUSA-N 2 1 293.455 2.065 20 30 CEEDMP C[NH+]1CCC(C)(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)CC1 ZINC001208113209 802342686 /nfs/dbraw/zinc/34/26/86/802342686.db2.gz FFXDTCSCLSJZAV-QKDCVEJESA-N 2 1 261.413 2.485 20 30 CEEDMP C=CCCC[NH2+]CCCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001167636316 803224976 /nfs/dbraw/zinc/22/49/76/803224976.db2.gz RXSCTPCAPLHQMN-MRXNPFEDSA-N 2 1 295.471 2.311 20 30 CEEDMP C=CCC[C@@H](C)[NH+](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001267233190 803263863 /nfs/dbraw/zinc/26/38/63/803263863.db2.gz RTZXGNKVUHTKCR-CVEARBPZSA-N 2 1 295.471 2.264 20 30 CEEDMP C=CCC[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001267233190 803263867 /nfs/dbraw/zinc/26/38/67/803263867.db2.gz RTZXGNKVUHTKCR-CVEARBPZSA-N 2 1 295.471 2.264 20 30 CEEDMP C=CCC[C@@H](C)[N@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001267233190 803263871 /nfs/dbraw/zinc/26/38/71/803263871.db2.gz RTZXGNKVUHTKCR-CVEARBPZSA-N 2 1 295.471 2.264 20 30 CEEDMP C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)c1ccn2c(C)cnc2c1 ZINC001038251474 803272727 /nfs/dbraw/zinc/27/27/27/803272727.db2.gz HGQPGTARGVCUFY-HNNXBMFYSA-N 2 1 298.390 2.023 20 30 CEEDMP C=C(C)C[N@H+]1CC[C@H]1CNC(=O)c1ccn2c(C)cnc2c1 ZINC001038251474 803272732 /nfs/dbraw/zinc/27/27/32/803272732.db2.gz HGQPGTARGVCUFY-HNNXBMFYSA-N 2 1 298.390 2.023 20 30 CEEDMP C=CCCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001267790188 803735087 /nfs/dbraw/zinc/73/50/87/803735087.db2.gz NSGNJCVXKBSYRZ-HZPDHXFCSA-N 2 1 295.471 2.216 20 30 CEEDMP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001027562382 804125167 /nfs/dbraw/zinc/12/51/67/804125167.db2.gz NUMARDCYGWVVRZ-JKSUJKDBSA-N 2 1 295.471 2.072 20 30 CEEDMP C=C(C)CC[N@H+](C)CCN(C)C(=O)CC[C@@H]1CCC[NH+]1C ZINC001268238698 804566722 /nfs/dbraw/zinc/56/67/22/804566722.db2.gz KAQZQBODHUDMKY-INIZCTEOSA-N 2 1 295.471 2.217 20 30 CEEDMP C=C(C)CC[NH+](C)CCN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001268238698 804566724 /nfs/dbraw/zinc/56/67/24/804566724.db2.gz KAQZQBODHUDMKY-INIZCTEOSA-N 2 1 295.471 2.217 20 30 CEEDMP C=C(C)CC[NH+](C)CCN(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001268238698 804566727 /nfs/dbraw/zinc/56/67/27/804566727.db2.gz KAQZQBODHUDMKY-INIZCTEOSA-N 2 1 295.471 2.217 20 30 CEEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CCC)C[C@@H]1CC ZINC001269184004 805072344 /nfs/dbraw/zinc/07/23/44/805072344.db2.gz XGCUXIKAIIVLRC-JKSUJKDBSA-N 2 1 295.471 2.121 20 30 CEEDMP C=CCC[N@@H+]1CC[C@H]1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001269308442 805121243 /nfs/dbraw/zinc/12/12/43/805121243.db2.gz CAAPZWGSLPZFNQ-HOTGVXAUSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001269308443 805121420 /nfs/dbraw/zinc/12/14/20/805121420.db2.gz CAAPZWGSLPZFNQ-HZPDHXFCSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)C[N@H+]1CC[C@@]2(NC(=O)CCC[NH+](C)C)CCC[C@@H]12 ZINC001284069854 807055567 /nfs/dbraw/zinc/05/55/67/807055567.db2.gz QUMULXLVBOVOQQ-WBVHZDCISA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC000998764751 808762694 /nfs/dbraw/zinc/76/26/94/808762694.db2.gz URXCHCKIOGPSJR-GPANFISMSA-N 2 1 293.455 2.014 20 30 CEEDMP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001034659167 809654860 /nfs/dbraw/zinc/65/48/60/809654860.db2.gz NUARGSJVIREORO-JYJNAYRXSA-N 2 1 293.455 2.064 20 30 CEEDMP C=CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001015792226 810355165 /nfs/dbraw/zinc/35/51/65/810355165.db2.gz TYABUCLSVZAMKV-CVEARBPZSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001015792226 810355171 /nfs/dbraw/zinc/35/51/71/810355171.db2.gz TYABUCLSVZAMKV-CVEARBPZSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001015792226 810355177 /nfs/dbraw/zinc/35/51/77/810355177.db2.gz TYABUCLSVZAMKV-CVEARBPZSA-N 2 1 293.455 2.016 20 30 CEEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001015796007 810356668 /nfs/dbraw/zinc/35/66/68/810356668.db2.gz UKTGCISWCGGOPK-HZPDHXFCSA-N 2 1 293.455 2.018 20 30 CEEDMP CCCCCCC[C@@H](CC)[NH2+]C[C@@H](C[NH3+])C(=O)OC ZINC001172345746 815399293 /nfs/dbraw/zinc/39/92/93/815399293.db2.gz CDLDCMFVHFIZPU-ZIAGYGMSSA-N 2 1 272.433 2.463 20 30 CEEDMP C=CC[N@@H+]1CCC[C@H]1c1ccc(-n2nncc2C[NH3+])cc1 ZINC001169311152 811484482 /nfs/dbraw/zinc/48/44/82/811484482.db2.gz DFWHFGGSRYPNBX-INIZCTEOSA-N 2 1 283.379 2.049 20 30 CEEDMP C[C@@H](CCCC#N)[NH+]1CCN(CC2CC[NH+](C)CC2)CC1 ZINC001172510175 815458548 /nfs/dbraw/zinc/45/85/48/815458548.db2.gz WNFQWUUYTUOQGQ-INIZCTEOSA-N 2 1 292.471 2.028 20 30 CEEDMP C=C(C)CC[NH+]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001113353176 812227034 /nfs/dbraw/zinc/22/70/34/812227034.db2.gz QWDDOCUODQOUNL-UHFFFAOYSA-N 2 1 295.471 2.075 20 30 CEEDMP C=C(C)CC[N@H+]1C[C@H](NC(=O)C[NH+](CC)CC)CC[C@H]1C ZINC001132377541 812835543 /nfs/dbraw/zinc/83/55/43/812835543.db2.gz YFUJTGCQCSCCLN-HZPDHXFCSA-N 2 1 295.471 2.264 20 30 CEEDMP C=C(C)CC[NH+]1C[C@H](NC(=O)C[N@H+](C)CCC)CC[C@@H]1C ZINC001132441338 812855216 /nfs/dbraw/zinc/85/52/16/812855216.db2.gz NPFZPKRIRDQMQK-JKSUJKDBSA-N 2 1 295.471 2.264 20 30 CEEDMP C=C(C)CC[N@@H+]1C[C@H](NC(=O)C[NH+](C)CCC)CC[C@@H]1C ZINC001132441338 812855223 /nfs/dbraw/zinc/85/52/23/812855223.db2.gz NPFZPKRIRDQMQK-JKSUJKDBSA-N 2 1 295.471 2.264 20 30 CEEDMP C=C(C)CC[N@H+]1C[C@H](NC(=O)C[NH+](C)CCC)CC[C@@H]1C ZINC001132441338 812855232 /nfs/dbraw/zinc/85/52/32/812855232.db2.gz NPFZPKRIRDQMQK-JKSUJKDBSA-N 2 1 295.471 2.264 20 30 CEEDMP N#CCc1ccccc1C[N@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206198640 815710826 /nfs/dbraw/zinc/71/08/26/815710826.db2.gz NDCQDXHFWQZPJB-CABCVRRESA-N 2 1 261.344 2.014 20 30 CEEDMP C=C(C)CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001176566191 816442212 /nfs/dbraw/zinc/44/22/12/816442212.db2.gz ZKOCPKWLLLJXLP-CVEARBPZSA-N 2 1 295.471 2.169 20 30 CEEDMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc(C#N)cs2)C1 ZINC000337878500 214297461 /nfs/dbraw/zinc/29/74/61/214297461.db2.gz PVRUQFGHIAIKPP-LBPRGKRZSA-N 2 1 263.410 2.441 20 30 CEEDMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cc(C#N)cs2)C1 ZINC000337878500 214297464 /nfs/dbraw/zinc/29/74/64/214297464.db2.gz PVRUQFGHIAIKPP-LBPRGKRZSA-N 2 1 263.410 2.441 20 30 CEEDMP N#Cc1ccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000037649377 361917823 /nfs/dbraw/zinc/91/78/23/361917823.db2.gz TWMSXEBVMUOPTP-OAHLLOKOSA-N 2 1 255.365 2.132 20 30 CEEDMP C=C(C)CNC(=[NH2+])NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000080836591 344026760 /nfs/dbraw/zinc/02/67/60/344026760.db2.gz IFQWOZJSHWPFQB-INIZCTEOSA-N 2 1 286.423 2.131 20 30 CEEDMP CC[NH+]1CCC([N@H+](C)CCCSCC#N)CC1 ZINC000072513571 343804007 /nfs/dbraw/zinc/80/40/07/343804007.db2.gz SLGDQOWAIVAYKU-UHFFFAOYSA-N 2 1 255.431 2.049 20 30 CEEDMP CC[NH+]1CCC([N@@H+](C)CCCSCC#N)CC1 ZINC000072513571 343804009 /nfs/dbraw/zinc/80/40/09/343804009.db2.gz SLGDQOWAIVAYKU-UHFFFAOYSA-N 2 1 255.431 2.049 20 30 CEEDMP CC(C)[NH2+]C1(CO)CC[NH+](CCCC(C)(C)C#N)CC1 ZINC000584847027 344993136 /nfs/dbraw/zinc/99/31/36/344993136.db2.gz BCOAPKAALZKMFS-UHFFFAOYSA-N 2 1 281.444 2.141 20 30 CEEDMP C[NH+](C)CCOc1ccc(C[NH2+]CC2(C#N)CCC2)cc1 ZINC000591357721 345243723 /nfs/dbraw/zinc/24/37/23/345243723.db2.gz BRZKABWFSNSLRC-UHFFFAOYSA-N 2 1 287.407 2.410 20 30 CEEDMP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H](C[NH3+])C1CC1 ZINC000591577486 345265995 /nfs/dbraw/zinc/26/59/95/345265995.db2.gz IMNMWAQWYIRJNH-HOTGVXAUSA-N 2 1 255.365 2.263 20 30 CEEDMP C[N@H+](CCC[NH+]1CCCC1)Cc1cccc(C#N)c1 ZINC000058617302 362634993 /nfs/dbraw/zinc/63/49/93/362634993.db2.gz GPEVPYQJPAQYFX-UHFFFAOYSA-N 2 1 257.381 2.476 20 30 CEEDMP C[N@@H+](CCC[NH+]1CCCC1)Cc1cccc(C#N)c1 ZINC000058617302 362634997 /nfs/dbraw/zinc/63/49/97/362634997.db2.gz GPEVPYQJPAQYFX-UHFFFAOYSA-N 2 1 257.381 2.476 20 30 CEEDMP C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccc(C#N)cc1)C2 ZINC000595507446 345799241 /nfs/dbraw/zinc/79/92/41/345799241.db2.gz NIQIMAFYVGHAKV-KRWDZBQOSA-N 2 1 269.392 2.476 20 30 CEEDMP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccc(C#N)cc1)C2 ZINC000595507446 345799243 /nfs/dbraw/zinc/79/92/43/345799243.db2.gz NIQIMAFYVGHAKV-KRWDZBQOSA-N 2 1 269.392 2.476 20 30 CEEDMP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccc(C#N)cc1)C2 ZINC000595507446 345799245 /nfs/dbraw/zinc/79/92/45/345799245.db2.gz NIQIMAFYVGHAKV-KRWDZBQOSA-N 2 1 269.392 2.476 20 30 CEEDMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccc(C#N)cc1)C2 ZINC000595507446 345799247 /nfs/dbraw/zinc/79/92/47/345799247.db2.gz NIQIMAFYVGHAKV-KRWDZBQOSA-N 2 1 269.392 2.476 20 30 CEEDMP N#Cc1ccc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)o1 ZINC000600768942 346686648 /nfs/dbraw/zinc/68/66/48/346686648.db2.gz IGBLMMSILPWSBN-WFASDCNBSA-N 2 1 259.353 2.115 20 30 CEEDMP N#Cc1ccc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)o1 ZINC000600768942 346686653 /nfs/dbraw/zinc/68/66/53/346686653.db2.gz IGBLMMSILPWSBN-WFASDCNBSA-N 2 1 259.353 2.115 20 30 CEEDMP C[NH+]1CCC2(CC[N@@H+](Cc3ccc(C#N)cc3)C2)CC1 ZINC000602876868 347234660 /nfs/dbraw/zinc/23/46/60/347234660.db2.gz DORKCYOZXXXMTA-UHFFFAOYSA-N 2 1 269.392 2.476 20 30 CEEDMP COc1ccc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1C#N ZINC000135096625 366396135 /nfs/dbraw/zinc/39/61/35/366396135.db2.gz WSVXQGLKKIPIPV-OAHLLOKOSA-N 2 1 287.407 2.340 20 30 CEEDMP COc1ccc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1C#N ZINC000135096625 366396143 /nfs/dbraw/zinc/39/61/43/366396143.db2.gz WSVXQGLKKIPIPV-OAHLLOKOSA-N 2 1 287.407 2.340 20 30 CEEDMP COc1ccc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)cc1C#N ZINC000135096625 366396154 /nfs/dbraw/zinc/39/61/54/366396154.db2.gz WSVXQGLKKIPIPV-OAHLLOKOSA-N 2 1 287.407 2.340 20 30 CEEDMP COc1ccc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)cc1C#N ZINC000135096625 366396162 /nfs/dbraw/zinc/39/61/62/366396162.db2.gz WSVXQGLKKIPIPV-OAHLLOKOSA-N 2 1 287.407 2.340 20 30 CEEDMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000334672863 364161743 /nfs/dbraw/zinc/16/17/43/364161743.db2.gz YIIYGNVOYDZWJE-IAQYHMDHSA-N 2 1 261.344 2.127 20 30 CEEDMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000334672863 364161752 /nfs/dbraw/zinc/16/17/52/364161752.db2.gz YIIYGNVOYDZWJE-IAQYHMDHSA-N 2 1 261.344 2.127 20 30 CEEDMP C[N@@H+](Cc1ccc(C#N)cc1)C[C@H]1CCC[NH+](C)C1 ZINC000118843785 365184511 /nfs/dbraw/zinc/18/45/11/365184511.db2.gz CCMLHUIQQXDNIE-INIZCTEOSA-N 2 1 257.381 2.332 20 30 CEEDMP C[N@H+](Cc1ccc(C#N)cc1)C[C@H]1CCC[NH+](C)C1 ZINC000118843785 365184521 /nfs/dbraw/zinc/18/45/21/365184521.db2.gz CCMLHUIQQXDNIE-INIZCTEOSA-N 2 1 257.381 2.332 20 30 CEEDMP C[NH+](Cc1ccc(C#N)cc1)C[C@H]1CCC[N@H+](C)C1 ZINC000118843785 365184525 /nfs/dbraw/zinc/18/45/25/365184525.db2.gz CCMLHUIQQXDNIE-INIZCTEOSA-N 2 1 257.381 2.332 20 30 CEEDMP C[NH+](Cc1ccc(C#N)cc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000118843785 365184531 /nfs/dbraw/zinc/18/45/31/365184531.db2.gz CCMLHUIQQXDNIE-INIZCTEOSA-N 2 1 257.381 2.332 20 30 CEEDMP CC[N@H+]1CC[C@H](N(C)Cc2ccc(C#N)cn2)C[C@H]1C ZINC000584002437 367127944 /nfs/dbraw/zinc/12/79/44/367127944.db2.gz ZYRGBOTXCFUYGE-CJNGLKHVSA-N 2 1 272.396 2.258 20 30 CEEDMP CN(C)c1cc[nH+]cc1C[NH2+]CCOc1ccc(C#N)cc1 ZINC000185207584 368767317 /nfs/dbraw/zinc/76/73/17/368767317.db2.gz XHVXUZXILDKJEJ-UHFFFAOYSA-N 2 1 296.374 2.188 20 30 CEEDMP C=CCc1cc(C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)cc(OC)c1O ZINC000346693816 368776345 /nfs/dbraw/zinc/77/63/45/368776345.db2.gz PVDSDYLQCXMFFA-TZMCWYRMSA-N 2 1 290.407 2.298 20 30 CEEDMP C=C(C)CC[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634716139 368836782 /nfs/dbraw/zinc/83/67/82/368836782.db2.gz PCRSGJQOGYYUQZ-KRWDZBQOSA-N 2 1 274.408 2.179 20 30 CEEDMP C=C(C)CC[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634716139 368836786 /nfs/dbraw/zinc/83/67/86/368836786.db2.gz PCRSGJQOGYYUQZ-KRWDZBQOSA-N 2 1 274.408 2.179 20 30 CEEDMP C=CCOCCC[N@H+](C)C1CC[NH+](CCC)CC1 ZINC000348057278 368878681 /nfs/dbraw/zinc/87/86/81/368878681.db2.gz TURZAMOVMVCMJD-UHFFFAOYSA-N 2 1 254.418 2.385 20 30 CEEDMP CN(CC[C@H]1CCCC[N@H+]1C)Cc1cc(C#N)n(C)c1 ZINC000191400773 369710177 /nfs/dbraw/zinc/71/01/77/369710177.db2.gz IVISSNLKKXWQHV-OAHLLOKOSA-N 2 1 274.412 2.203 20 30 CEEDMP C=CC[NH+]1CCC(Nc2cc[nH+]cc2C(=O)OCC)CC1 ZINC000276531901 193370037 /nfs/dbraw/zinc/37/00/37/193370037.db2.gz WBTZZQGBLJIMNM-UHFFFAOYSA-N 2 1 289.379 2.321 20 30 CEEDMP C[N@@H+](Cc1ccc(C#N)c(F)c1)C[C@H]1CCC[NH+](C)C1 ZINC000192038069 369766300 /nfs/dbraw/zinc/76/63/00/369766300.db2.gz SPQSSAAVNZJHJC-AWEZNQCLSA-N 2 1 275.371 2.471 20 30 CEEDMP C[N@H+](Cc1ccc(C#N)c(F)c1)C[C@H]1CCC[NH+](C)C1 ZINC000192038069 369766307 /nfs/dbraw/zinc/76/63/07/369766307.db2.gz SPQSSAAVNZJHJC-AWEZNQCLSA-N 2 1 275.371 2.471 20 30 CEEDMP C[NH+](Cc1ccc(C#N)c(F)c1)C[C@H]1CCC[N@H+](C)C1 ZINC000192038069 369766312 /nfs/dbraw/zinc/76/63/12/369766312.db2.gz SPQSSAAVNZJHJC-AWEZNQCLSA-N 2 1 275.371 2.471 20 30 CEEDMP C[NH+](Cc1ccc(C#N)c(F)c1)C[C@H]1CCC[N@@H+](C)C1 ZINC000192038069 369766319 /nfs/dbraw/zinc/76/63/19/369766319.db2.gz SPQSSAAVNZJHJC-AWEZNQCLSA-N 2 1 275.371 2.471 20 30 CEEDMP CC[NH+](CC)CC1CC[NH+](C[C@@H](C#N)CCC#N)CC1 ZINC000352787707 369878967 /nfs/dbraw/zinc/87/89/67/369878967.db2.gz HBASOMDWAQEDTG-MRXNPFEDSA-N 2 1 276.428 2.484 20 30 CEEDMP COc1cc(C[NH2+]C[C@@H](C)C[NH+]2CCCC2)ccc1C#N ZINC000234913025 370549200 /nfs/dbraw/zinc/54/92/00/370549200.db2.gz UREFLJGKTWKEGR-CQSZACIVSA-N 2 1 287.407 2.388 20 30 CEEDMP COc1cc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)ccc1C#N ZINC000235003752 370554249 /nfs/dbraw/zinc/55/42/49/370554249.db2.gz ZKXCUFSTOAOSMD-ARFHVFGLSA-N 2 1 285.391 2.126 20 30 CEEDMP C=CC[NH+]1CCC([NH2+]CC2(COC)CCC2)CC1 ZINC000638524626 370590474 /nfs/dbraw/zinc/59/04/74/370590474.db2.gz PWZGFWSTDXJBIW-UHFFFAOYSA-N 2 1 252.402 2.043 20 30 CEEDMP C[N@H+]1CCC[C@H]2C[NH+](CCOc3cccc(C#N)c3)CC[C@H]21 ZINC000247943431 371148687 /nfs/dbraw/zinc/14/86/87/371148687.db2.gz GVQFZXJVLKSFEW-FUHWJXTLSA-N 2 1 299.418 2.353 20 30 CEEDMP C[NH+]1CCC[C@H]2C[N@H+](CCOc3cccc(C#N)c3)CC[C@H]21 ZINC000247943431 371148692 /nfs/dbraw/zinc/14/86/92/371148692.db2.gz GVQFZXJVLKSFEW-FUHWJXTLSA-N 2 1 299.418 2.353 20 30 CEEDMP C[NH+]1CCC[C@H]2C[N@@H+](CCOc3cccc(C#N)c3)CC[C@H]21 ZINC000247943431 371148698 /nfs/dbraw/zinc/14/86/98/371148698.db2.gz GVQFZXJVLKSFEW-FUHWJXTLSA-N 2 1 299.418 2.353 20 30 CEEDMP N#Cc1csc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000250761300 371390718 /nfs/dbraw/zinc/39/07/18/371390718.db2.gz IHPWUYXPGLXBJK-OLZOCXBDSA-N 2 1 261.394 2.336 20 30 CEEDMP N#Cc1csc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000250761300 371390721 /nfs/dbraw/zinc/39/07/21/371390721.db2.gz IHPWUYXPGLXBJK-OLZOCXBDSA-N 2 1 261.394 2.336 20 30 CEEDMP C=CCCC[C@@H](C)[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639766378 371555619 /nfs/dbraw/zinc/55/56/19/371555619.db2.gz NSNPSPZBUFWVHS-CABCVRRESA-N 2 1 254.418 2.120 20 30 CEEDMP CC[NH+](CC)[C@H](CNC1=[NH+]C[C@@H](C)N1)c1ccccc1 ZINC000261848958 371749949 /nfs/dbraw/zinc/74/99/49/371749949.db2.gz WNSREQANVAZOST-UKRRQHHQSA-N 2 1 274.412 2.007 20 30 CEEDMP Cc1cc(C)cc(NC(=[NH2+])NCC[N@@H+](C)C2CC2)c1 ZINC000264075569 371962951 /nfs/dbraw/zinc/96/29/51/371962951.db2.gz FOITZPWCRATMCB-UHFFFAOYSA-N 2 1 260.385 2.124 20 30 CEEDMP Cc1cc(C)cc(NC(=[NH2+])NCC[N@H+](C)C2CC2)c1 ZINC000264075569 371962962 /nfs/dbraw/zinc/96/29/62/371962962.db2.gz FOITZPWCRATMCB-UHFFFAOYSA-N 2 1 260.385 2.124 20 30 CEEDMP CC[C@@H](C)[N@@H+](C)CCNC(=[NH2+])Nc1ccc(OC)cc1 ZINC000264286275 371989801 /nfs/dbraw/zinc/98/98/01/371989801.db2.gz OWNZQXOEMOFABI-GFCCVEGCSA-N 2 1 278.400 2.152 20 30 CEEDMP CC(C)(C)NC(=[NH2+])NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000267412947 372071998 /nfs/dbraw/zinc/07/19/98/372071998.db2.gz IRPWSUBILDHKGT-OAHLLOKOSA-N 2 1 288.439 2.354 20 30 CEEDMP N#Cc1ccc([C@H](O)C[N@H+]2CCC[C@H](c3ncc[nH]3)C2)cc1 ZINC000268656520 372170546 /nfs/dbraw/zinc/17/05/46/372170546.db2.gz LBBJRLJSLSVJQH-JKSUJKDBSA-N 2 1 296.374 2.194 20 30 CEEDMP C=CC[C@H](C)[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000368426147 373239153 /nfs/dbraw/zinc/23/91/53/373239153.db2.gz UTRIDXWEQHGVMX-QKPAOTATSA-N 2 1 266.429 2.430 20 30 CEEDMP C=CC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000368426147 373239158 /nfs/dbraw/zinc/23/91/58/373239158.db2.gz UTRIDXWEQHGVMX-QKPAOTATSA-N 2 1 266.429 2.430 20 30 CEEDMP C[NH+](C)CCc1ccc(C[NH2+]C[C@H](C#N)CCC#N)cc1 ZINC000574512351 335025192 /nfs/dbraw/zinc/02/51/92/335025192.db2.gz LOCUHIKJWFGGCB-KRWDZBQOSA-N 2 1 284.407 2.324 20 30 CEEDMP C[C@@H](C[NH2+]Cc1cc(C#N)cs1)C[NH+]1CCCC1 ZINC000093492404 249310273 /nfs/dbraw/zinc/31/02/73/249310273.db2.gz AIGFZHGJPUIHFQ-LBPRGKRZSA-N 2 1 263.410 2.441 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](CC)c1ccccc1O ZINC000295105033 378041973 /nfs/dbraw/zinc/04/19/73/378041973.db2.gz WNXFEYXLLOOFAX-HNNXBMFYSA-N 2 1 260.381 2.388 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](CC)c1ccccc1O ZINC000295105033 378041975 /nfs/dbraw/zinc/04/19/75/378041975.db2.gz WNXFEYXLLOOFAX-HNNXBMFYSA-N 2 1 260.381 2.388 20 30 CEEDMP C(#CC[N@H+]1CC[C@H](C2CC2)C1)C[NH+]1CC[C@H](C2CC2)C1 ZINC000556499297 380908357 /nfs/dbraw/zinc/90/83/57/380908357.db2.gz DNIMQLXJKKSFSO-ROUUACIJSA-N 2 1 272.436 2.454 20 30 CEEDMP C=CCOc1ccccc1C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000347006958 395117563 /nfs/dbraw/zinc/11/75/63/395117563.db2.gz CXMSRTITLMFBDO-CQSZACIVSA-N 2 1 260.381 2.422 20 30 CEEDMP CC(C)C[N@H+]1CCC[C@@H](CNC(=[NH2+])Nc2ccccn2)C1 ZINC000178726534 395173231 /nfs/dbraw/zinc/17/32/31/395173231.db2.gz OUXOPHVUVJCIBB-AWEZNQCLSA-N 2 1 289.427 2.176 20 30 CEEDMP CC[NH+]=C(NCc1ccoc1)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000179200773 395183030 /nfs/dbraw/zinc/18/30/30/395183030.db2.gz AQFAJDABGNOFSU-DZGCQCFKSA-N 2 1 292.427 2.063 20 30 CEEDMP C[N@@H+]1CCC[C@@H]2C[NH+](CC#Cc3ccccc3)CC[C@@H]21 ZINC000192075606 395371890 /nfs/dbraw/zinc/37/18/90/395371890.db2.gz MKOYQNNHWYVIFO-MSOLQXFVSA-N 2 1 268.404 2.454 20 30 CEEDMP C[N@H+]1CCC[C@@H]2C[NH+](CC#Cc3ccccc3)CC[C@@H]21 ZINC000192075606 395371894 /nfs/dbraw/zinc/37/18/94/395371894.db2.gz MKOYQNNHWYVIFO-MSOLQXFVSA-N 2 1 268.404 2.454 20 30 CEEDMP C[NH+]1CCC[C@@H]2C[N@H+](CC#Cc3ccccc3)CC[C@@H]21 ZINC000192075606 395371896 /nfs/dbraw/zinc/37/18/96/395371896.db2.gz MKOYQNNHWYVIFO-MSOLQXFVSA-N 2 1 268.404 2.454 20 30 CEEDMP C[NH+]1CCC[C@@H]2C[N@@H+](CC#Cc3ccccc3)CC[C@@H]21 ZINC000192075606 395371901 /nfs/dbraw/zinc/37/19/01/395371901.db2.gz MKOYQNNHWYVIFO-MSOLQXFVSA-N 2 1 268.404 2.454 20 30 CEEDMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCc3ccc(C#N)cc32)C1 ZINC000569040008 395572613 /nfs/dbraw/zinc/57/26/13/395572613.db2.gz PYLOABWVPKKNIV-RHSMWYFYSA-N 2 1 269.392 2.477 20 30 CEEDMP C=CCOc1ccc(C[NH2+][C@@H](C)[C@@H](C)[NH3+])cc1OC ZINC000415008044 263224113 /nfs/dbraw/zinc/22/41/13/263224113.db2.gz MEJLPXGVJAMBKL-NEPJUHHUSA-N 2 1 264.369 2.085 20 30 CEEDMP C=CCOc1ccc(C[NH2+][C@@H](C)[C@H](C)[NH3+])cc1OC ZINC000415008047 263224137 /nfs/dbraw/zinc/22/41/37/263224137.db2.gz MEJLPXGVJAMBKL-RYUDHWBXSA-N 2 1 264.369 2.085 20 30 CEEDMP C=CCOc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000357130035 266252786 /nfs/dbraw/zinc/25/27/86/266252786.db2.gz JJCRJJAUSOWLCI-HOTGVXAUSA-N 2 1 272.392 2.293 20 30 CEEDMP C=CCOc1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000357130035 266252788 /nfs/dbraw/zinc/25/27/88/266252788.db2.gz JJCRJJAUSOWLCI-HOTGVXAUSA-N 2 1 272.392 2.293 20 30 CEEDMP CCN(C[C@H](O)C[N@@H+](C)CC)[C@H](C)c1ccc(C#N)cc1 ZINC000571266194 314080660 /nfs/dbraw/zinc/08/06/60/314080660.db2.gz GGIMRXUEIHQYPY-RHSMWYFYSA-N 2 1 289.423 2.254 20 30 CEEDMP CCN(C)C[C@@H](O)C[N@H+](CC)[C@H](C)c1ccc(C#N)cc1 ZINC000571266194 314080663 /nfs/dbraw/zinc/08/06/63/314080663.db2.gz GGIMRXUEIHQYPY-RHSMWYFYSA-N 2 1 289.423 2.254 20 30 CEEDMP CCN(C)C[C@@H](O)C[N@@H+](CC)[C@H](C)c1ccc(C#N)cc1 ZINC000571266194 314080666 /nfs/dbraw/zinc/08/06/66/314080666.db2.gz GGIMRXUEIHQYPY-RHSMWYFYSA-N 2 1 289.423 2.254 20 30 CEEDMP C=CCOCCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000339662038 328012628 /nfs/dbraw/zinc/01/26/28/328012628.db2.gz FEMAXPCAUHHNRW-SJPCQFCGSA-N 2 1 296.455 2.153 20 30 CEEDMP C=CCOCCC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2CCOC ZINC000339662038 328012629 /nfs/dbraw/zinc/01/26/29/328012629.db2.gz FEMAXPCAUHHNRW-SJPCQFCGSA-N 2 1 296.455 2.153 20 30 CEEDMP C=CCOCCC[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2CCOC ZINC000339662038 328012631 /nfs/dbraw/zinc/01/26/31/328012631.db2.gz FEMAXPCAUHHNRW-SJPCQFCGSA-N 2 1 296.455 2.153 20 30 CEEDMP N#C[C@H]1CC[C@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000442641237 328505586 /nfs/dbraw/zinc/50/55/86/328505586.db2.gz CWHLABSKPRLWRY-ROUUACIJSA-N 2 1 299.418 2.301 20 30 CEEDMP C=CCCC[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000182589566 329243234 /nfs/dbraw/zinc/24/32/34/329243234.db2.gz PMLUNDNOEOGLOL-SJPCQFCGSA-N 2 1 277.456 2.195 20 30 CEEDMP C=C(C)C[N@H+](C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000188318063 329366033 /nfs/dbraw/zinc/36/60/33/329366033.db2.gz OUKSIRQCZGEBPX-QGZVFWFLSA-N 2 1 274.408 2.131 20 30 CEEDMP C=CC[N@@H+](CCCCn1cc[nH+]c1C)CCOC ZINC000189424700 329382477 /nfs/dbraw/zinc/38/24/77/329382477.db2.gz JQAYAPUMDKWEHX-UHFFFAOYSA-N 2 1 251.374 2.106 20 30 CEEDMP C=CC[N@H+](CCCCn1cc[nH+]c1C)CCOC ZINC000189424700 329382478 /nfs/dbraw/zinc/38/24/78/329382478.db2.gz JQAYAPUMDKWEHX-UHFFFAOYSA-N 2 1 251.374 2.106 20 30 CEEDMP CC(C)NC(=[NH2+])NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000262417092 330008989 /nfs/dbraw/zinc/00/89/89/330008989.db2.gz QIVYDSRUQPRXBG-OCCSQVGLSA-N 2 1 294.468 2.444 20 30 CEEDMP N#CC1CCC(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)CC1 ZINC000423110353 330170696 /nfs/dbraw/zinc/17/06/96/330170696.db2.gz VSFILPOAIWSHPP-ZKLCHKPXSA-N 2 1 291.439 2.063 20 30 CEEDMP C#CC[NH+](C)CCCN[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000491070383 332146116 /nfs/dbraw/zinc/14/61/16/332146116.db2.gz BHZGPHWXMJBGIP-HKUYNNGSSA-N 2 1 299.462 2.367 20 30 CEEDMP C#CC[N@@H+](C)CCCN[C@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000491070383 332146117 /nfs/dbraw/zinc/14/61/17/332146117.db2.gz BHZGPHWXMJBGIP-HKUYNNGSSA-N 2 1 299.462 2.367 20 30 CEEDMP C#CC[N@H+](C)CCCN[C@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000491070383 332146118 /nfs/dbraw/zinc/14/61/18/332146118.db2.gz BHZGPHWXMJBGIP-HKUYNNGSSA-N 2 1 299.462 2.367 20 30 CEEDMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2)[C@H](C)C1 ZINC000742206512 575010657 /nfs/dbraw/zinc/01/06/57/575010657.db2.gz HPUKYVLFXDLNET-CZUORRHYSA-N 2 1 257.381 2.378 20 30 CEEDMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2)[C@H](C)C1 ZINC000742206512 575010658 /nfs/dbraw/zinc/01/06/58/575010658.db2.gz HPUKYVLFXDLNET-CZUORRHYSA-N 2 1 257.381 2.378 20 30 CEEDMP C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000971873600 613291495 /nfs/dbraw/zinc/29/14/95/613291495.db2.gz XOANWFNYQUPHSM-HNNXBMFYSA-N 2 1 298.390 2.057 20 30 CEEDMP C=CC[C@@H]1CC[N@@H+]1C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000934460334 624509828 /nfs/dbraw/zinc/50/98/28/624509828.db2.gz PBBAHHLBDBSDRY-QZTJIDSGSA-N 2 1 286.419 2.274 20 30 CEEDMP C=CC[C@@H]1CC[N@H+]1C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000934460334 624509835 /nfs/dbraw/zinc/50/98/35/624509835.db2.gz PBBAHHLBDBSDRY-QZTJIDSGSA-N 2 1 286.419 2.274 20 30 CEEDMP C=CC[C@@H]1CC[N@@H+]1C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000934460334 624509841 /nfs/dbraw/zinc/50/98/41/624509841.db2.gz PBBAHHLBDBSDRY-QZTJIDSGSA-N 2 1 286.419 2.274 20 30 CEEDMP C=CC[C@@H]1CC[NH+]1C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000934460334 624509849 /nfs/dbraw/zinc/50/98/49/624509849.db2.gz PBBAHHLBDBSDRY-QZTJIDSGSA-N 2 1 286.419 2.274 20 30 CEEDMP C=CC[C@@H]1CC[NH+]1C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000934460334 624509854 /nfs/dbraw/zinc/50/98/54/624509854.db2.gz PBBAHHLBDBSDRY-QZTJIDSGSA-N 2 1 286.419 2.274 20 30 CEEDMP C=C(C)C[NH2+]C1CCC(NC(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001026561183 628358601 /nfs/dbraw/zinc/35/86/01/628358601.db2.gz RSUTZHAMSGEQDA-FHERZECASA-N 2 1 293.455 2.064 20 30 CEEDMP C=CCn1cc(C[NH2+][C@@H](CCC[NH3+])c2ccccc2)nn1 ZINC000925711718 628561602 /nfs/dbraw/zinc/56/16/02/628561602.db2.gz ZVULCAXXFWWMNC-INIZCTEOSA-N 2 1 285.395 2.034 20 30 CEEDMP C=CCC[C@H](CC)[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000925795016 628840626 /nfs/dbraw/zinc/84/06/26/628840626.db2.gz NAJODOPNNGTGHB-GJZGRUSLSA-N 2 1 266.429 2.480 20 30 CEEDMP C[C@H](CC(C)(C)C#N)[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000924960928 629298615 /nfs/dbraw/zinc/29/86/15/629298615.db2.gz UOKWBHCGTHZTTN-OAHLLOKOSA-N 2 1 294.487 2.178 20 30 CEEDMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902755101 634810766 /nfs/dbraw/zinc/81/07/66/634810766.db2.gz KWEBAKDQTBLWAP-LBPRGKRZSA-N 2 1 269.352 2.199 20 30 CEEDMP CC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1cccc(C#N)c1 ZINC000902761842 634816201 /nfs/dbraw/zinc/81/62/01/634816201.db2.gz ASPKEXCVWYYEII-SJORKVTESA-N 2 1 287.407 2.056 20 30 CEEDMP C[C@H](C#N)OCC[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000801915205 631353416 /nfs/dbraw/zinc/35/34/16/631353416.db2.gz KWYLZUMWJVZGLO-IAGOWNOFSA-N 2 1 293.455 2.359 20 30 CEEDMP C[C@H](C#N)OCC[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000801915205 631353421 /nfs/dbraw/zinc/35/34/21/631353421.db2.gz KWYLZUMWJVZGLO-IAGOWNOFSA-N 2 1 293.455 2.359 20 30 CEEDMP C[NH+]1CCC(C[N@@H+]2CCO[C@H](c3ccc(C#N)cc3)C2)CC1 ZINC000897595722 631806703 /nfs/dbraw/zinc/80/67/03/631806703.db2.gz GPRKOODPFJIGOM-SFHVURJKSA-N 2 1 299.418 2.273 20 30 CEEDMP C[NH+]1CCC(C[N@H+]2CCO[C@H](c3ccc(C#N)cc3)C2)CC1 ZINC000897595722 631806706 /nfs/dbraw/zinc/80/67/06/631806706.db2.gz GPRKOODPFJIGOM-SFHVURJKSA-N 2 1 299.418 2.273 20 30 CEEDMP C#CC[NH+](C)CCCN[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000815652569 633044328 /nfs/dbraw/zinc/04/43/28/633044328.db2.gz IGMHHWBWDXKQIL-PKOBYXMFSA-N 2 1 299.462 2.052 20 30 CEEDMP C#CC[NH+](C)CCCN[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000815652569 633044334 /nfs/dbraw/zinc/04/43/34/633044334.db2.gz IGMHHWBWDXKQIL-PKOBYXMFSA-N 2 1 299.462 2.052 20 30 CEEDMP C#CC[N@@H+](C)CCCN[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000815652569 633044341 /nfs/dbraw/zinc/04/43/41/633044341.db2.gz IGMHHWBWDXKQIL-PKOBYXMFSA-N 2 1 299.462 2.052 20 30 CEEDMP C#CC[N@H+](C)CCCN[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000815652569 633044345 /nfs/dbraw/zinc/04/43/45/633044345.db2.gz IGMHHWBWDXKQIL-PKOBYXMFSA-N 2 1 299.462 2.052 20 30 CEEDMP C=C(CC[NH+](C)C)C(=O)Nc1ccc(-n2cc[nH+]c2C)nc1 ZINC000900224714 633614347 /nfs/dbraw/zinc/61/43/47/633614347.db2.gz GSWBGXMCOSCNQH-UHFFFAOYSA-N 2 1 299.378 2.022 20 30 CEEDMP C=C(CC[NH+](C)C)C(=O)N(C)CC[N@@H+](C)C1CCCCC1 ZINC000900412956 633708649 /nfs/dbraw/zinc/70/86/49/633708649.db2.gz YPQDHCBOIQCQHC-UHFFFAOYSA-N 2 1 295.471 2.217 20 30 CEEDMP N#CCOc1ccc(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])cc1 ZINC000817918656 633776585 /nfs/dbraw/zinc/77/65/85/633776585.db2.gz MAWYIVVZLUHUPO-CVEARBPZSA-N 2 1 273.380 2.339 20 30 CEEDMP C#CCOc1ccc([C@@H](C)[NH2+]C[C@H]([NH3+])C2CC2)cc1 ZINC000817964522 633805782 /nfs/dbraw/zinc/80/57/82/633805782.db2.gz BGARXVBXUWQYHU-WBMJQRKESA-N 2 1 258.365 2.087 20 30 CEEDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@H](O)c1ccc(C#N)cc1 ZINC000818965930 634020219 /nfs/dbraw/zinc/02/02/19/634020219.db2.gz MNIAZSDWLKMSHN-DYVFJYSZSA-N 2 1 298.390 2.023 20 30 CEEDMP C=C[C@@H]1OCC[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903191763 635004726 /nfs/dbraw/zinc/00/47/26/635004726.db2.gz FMFZJEZQAQIICX-PPHJYPGKSA-N 2 1 276.424 2.325 20 30 CEEDMP N#CC1CCC(C[N@H+]2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC1 ZINC000903479351 635148716 /nfs/dbraw/zinc/14/87/16/635148716.db2.gz UQQJZUOWXYHKFG-TYUFSLCMSA-N 2 1 289.345 2.385 20 30 CEEDMP CCC[N@H+]1CC[C@H](CNC(NC(C)(C)C)=[NH+]C2CC2)C1 ZINC000912507186 638713050 /nfs/dbraw/zinc/71/30/50/638713050.db2.gz XCBYVHQKHCEYIQ-CYBMUJFWSA-N 2 1 280.460 2.214 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@@H](SC)C1 ZINC000922147276 642906259 /nfs/dbraw/zinc/90/62/59/642906259.db2.gz QDJFHNQAWPIPSO-ZIAGYGMSSA-N 2 1 254.443 2.205 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCC[C@@H](SC)C1 ZINC000922147276 642906262 /nfs/dbraw/zinc/90/62/62/642906262.db2.gz QDJFHNQAWPIPSO-ZIAGYGMSSA-N 2 1 254.443 2.205 20 30 CEEDMP C=CCC[NH+]1CCC(NC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001004206470 643116141 /nfs/dbraw/zinc/11/61/41/643116141.db2.gz AXBASUAYXJIJFK-MRXNPFEDSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(Cl)C[N@@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000852753165 643537650 /nfs/dbraw/zinc/53/76/50/643537650.db2.gz AGHKIHBCFXGDQQ-JHJVBQTASA-N 2 1 258.793 2.100 20 30 CEEDMP C=CC[N@@H+](CCc1ccccc1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923308100 643649158 /nfs/dbraw/zinc/64/91/58/643649158.db2.gz BCTGPQUEGVXYRV-QGZVFWFLSA-N 2 1 286.419 2.096 20 30 CEEDMP COc1ccc(C(N)=[NH+]OCC[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000769378895 646255050 /nfs/dbraw/zinc/25/50/50/646255050.db2.gz VXWZIMXBYGKNAQ-AWEZNQCLSA-N 2 1 291.395 2.207 20 30 CEEDMP COc1ccc(C(N)=[NH+]OCC[C@@H]2CCCC[N@H+]2C)cc1 ZINC000769378895 646255056 /nfs/dbraw/zinc/25/50/56/646255056.db2.gz VXWZIMXBYGKNAQ-AWEZNQCLSA-N 2 1 291.395 2.207 20 30 CEEDMP CC(C)C[N@@H+](CCO[C@@H](C)C#N)CC1CC[NH+](C)CC1 ZINC000879703743 651341440 /nfs/dbraw/zinc/34/14/40/651341440.db2.gz VQXNADCJKAGLRL-HNNXBMFYSA-N 2 1 281.444 2.215 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(F)c2cccnc12 ZINC000883131021 652372190 /nfs/dbraw/zinc/37/21/90/652372190.db2.gz BROSYWKKRJOGSK-UHFFFAOYSA-N 2 1 285.366 2.419 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(F)c2cccnc12 ZINC000883131021 652372191 /nfs/dbraw/zinc/37/21/91/652372191.db2.gz BROSYWKKRJOGSK-UHFFFAOYSA-N 2 1 285.366 2.419 20 30 CEEDMP C=CCC[C@@H]([NH2+]CCc1c[nH+]cn1C)[C@H]1CCCO1 ZINC000883217114 652403061 /nfs/dbraw/zinc/40/30/61/652403061.db2.gz BTOANDZPUUXSNR-HUUCEWRRSA-N 2 1 263.385 2.066 20 30 CEEDMP C=CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001271075289 805734749 /nfs/dbraw/zinc/73/47/49/805734749.db2.gz LXGDBMLEUSTQFY-CVEARBPZSA-N 2 1 295.471 2.121 20 30 CEEDMP C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001088279219 806081714 /nfs/dbraw/zinc/08/17/14/806081714.db2.gz NFFZCEPELGULNR-CVEARBPZSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)[C@H]1C ZINC001088605439 806505452 /nfs/dbraw/zinc/50/54/52/806505452.db2.gz SRYOZCCPEMWAPS-OWCLPIDISA-N 2 1 293.455 2.016 20 30 CEEDMP C=CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2CCC)[C@H]1C ZINC001088605439 806505460 /nfs/dbraw/zinc/50/54/60/806505460.db2.gz SRYOZCCPEMWAPS-OWCLPIDISA-N 2 1 293.455 2.016 20 30 CEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2CCC)[C@H]1C ZINC001088605439 806505464 /nfs/dbraw/zinc/50/54/64/806505464.db2.gz SRYOZCCPEMWAPS-OWCLPIDISA-N 2 1 293.455 2.016 20 30 CEEDMP C=C(C)CC[NH2+]CC1(CCNC(=O)C[N@H+](C)C(C)C)CC1 ZINC001168345224 806667328 /nfs/dbraw/zinc/66/73/28/806667328.db2.gz KSIPRCXLLUAEJO-UHFFFAOYSA-N 2 1 295.471 2.169 20 30 CEEDMP C=C(C)CC[N@@H+]1CCC[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001266758265 802883046 /nfs/dbraw/zinc/88/30/46/802883046.db2.gz PQCVPWWXAIQAGO-INIZCTEOSA-N 2 1 295.471 2.123 20 30 CEEDMP C=C(C)CC[NH2+]CCN(C)C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001266813532 802917144 /nfs/dbraw/zinc/91/71/44/802917144.db2.gz VDIHMAQNKGDGIL-INIZCTEOSA-N 2 1 295.471 2.123 20 30 CEEDMP C=CCCCCC[NH2+]CCNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001133896093 813172569 /nfs/dbraw/zinc/17/25/69/813172569.db2.gz CFOHKFQOCLYEDR-UHFFFAOYSA-N 2 1 295.471 2.171 20 30 CEEDMP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001268138770 804481270 /nfs/dbraw/zinc/48/12/70/804481270.db2.gz CSKRJRWLBCUQRP-HZPDHXFCSA-N 2 1 295.471 2.121 20 30 CEEDMP C=C(C)C[NH2+]CCCN(C)C(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001268876516 804992802 /nfs/dbraw/zinc/99/28/02/804992802.db2.gz JUSYKYOCOJMKCN-HZPDHXFCSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)CC[NH2+][C@H](CC)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001269402149 805154267 /nfs/dbraw/zinc/15/42/67/805154267.db2.gz JDHPGBROOIVHBO-HZPDHXFCSA-N 2 1 295.471 2.310 20 30 CEEDMP N#CCCCCNc1ccc2c(C3C[NH2+]C3)[nH+]cn2c1 ZINC001168430994 807376120 /nfs/dbraw/zinc/37/61/20/807376120.db2.gz QGWMZYSKPQMMKY-UHFFFAOYSA-N 2 1 269.352 2.127 20 30 CEEDMP C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC001172306701 815363162 /nfs/dbraw/zinc/36/31/62/815363162.db2.gz ALVUFOIEVILDEU-CKEIUWERSA-N 2 1 271.408 2.419 20 30 CEEDMP C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC001172306701 815363165 /nfs/dbraw/zinc/36/31/65/815363165.db2.gz ALVUFOIEVILDEU-CKEIUWERSA-N 2 1 271.408 2.419 20 30 CEEDMP C=CCCC[C@H]([NH3+])C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC001121991742 815374576 /nfs/dbraw/zinc/37/45/76/815374576.db2.gz ZKHYUFCEKDDEIQ-CVEARBPZSA-N 2 1 295.471 2.298 20 30 CEEDMP C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc2c[nH+]cn2c1 ZINC001085724152 810892567 /nfs/dbraw/zinc/89/25/67/810892567.db2.gz OQAAJDUZXJNREP-MRXNPFEDSA-N 2 1 298.390 2.057 20 30 CEEDMP C=C(C)CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001169809112 811675734 /nfs/dbraw/zinc/67/57/34/811675734.db2.gz FHECLTBYHATUET-HOTGVXAUSA-N 2 1 295.471 2.311 20 30 CEEDMP C=CCC[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001157886476 812513062 /nfs/dbraw/zinc/51/30/62/812513062.db2.gz HWSDKCVDWJFFNI-CVEARBPZSA-N 2 1 295.471 2.310 20 30 CEEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)CC[C@@H]1C ZINC001132269549 812816926 /nfs/dbraw/zinc/81/69/26/812816926.db2.gz LVIFPZLFXWGYNQ-HOTGVXAUSA-N 2 1 295.471 2.264 20 30 CEEDMP C[NH+](C)CCC[N@H+](CCC[NH3+])C1CCC(C)(C#N)CC1 ZINC001173589251 815753612 /nfs/dbraw/zinc/75/36/12/815753612.db2.gz YSILVGZXXZDNAF-UHFFFAOYSA-N 3 1 280.460 2.061 20 30 CEEDMP C[NH+](C)CCC[N@@H+](CCC[NH3+])C1CCC(C)(C#N)CC1 ZINC001173589251 815753618 /nfs/dbraw/zinc/75/36/18/815753618.db2.gz YSILVGZXXZDNAF-UHFFFAOYSA-N 3 1 280.460 2.061 20 30 CEEDMP CC[N@@H+]1C[C@@H]2C[NH+](C3CCC(C)(C#N)CC3)C[C@@H]2C1 ZINC001173597561 815756470 /nfs/dbraw/zinc/75/64/70/815756470.db2.gz YHCPBJBNQVIVRZ-PJPHBNEVSA-N 2 1 261.413 2.342 20 30 CEEDMP CC[NH+]1C[C@@H]2C[N@H+](C3CCC(C)(C#N)CC3)C[C@@H]2C1 ZINC001173597561 815756477 /nfs/dbraw/zinc/75/64/77/815756477.db2.gz YHCPBJBNQVIVRZ-PJPHBNEVSA-N 2 1 261.413 2.342 20 30 CEEDMP CCN(CCC#N)Cc1ccccc1N1CCN(C)CC1 ZINC001140972809 816427834 /nfs/dbraw/zinc/42/78/34/816427834.db2.gz ABBQSCDPRDTUQY-UHFFFAOYSA-N 2 1 286.423 2.174 20 30 CEEDMP C=C(C)C[NH2+]CCCCCCNC(=O)C[N@H+](C)C1CCC1 ZINC001178701980 816788480 /nfs/dbraw/zinc/78/84/80/816788480.db2.gz HQNKLHGCSKWCJG-UHFFFAOYSA-N 2 1 295.471 2.313 20 30 CEEDMP C=CCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)[C@H]1C ZINC001179337138 816856000 /nfs/dbraw/zinc/85/60/00/816856000.db2.gz JBBCHJREKWPXRB-JYJNAYRXSA-N 2 1 293.455 2.016 20 30 CEEDMP C[N@@H+]1CC=C(C[NH2+][C@H]2CCc3ccc(C#N)cc32)CC1 ZINC000336392805 365568005 /nfs/dbraw/zinc/56/80/05/365568005.db2.gz HCOVMFLFWVEZTL-KRWDZBQOSA-N 2 1 267.376 2.397 20 30 CEEDMP C=CCC[C@H](O)C[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000127886310 365765696 /nfs/dbraw/zinc/76/56/96/365765696.db2.gz RBNRYSWMDMFUJF-HNNXBMFYSA-N 2 1 277.412 2.002 20 30 CEEDMP CCNC(NC[C@H](c1ccc(C)o1)[NH+]1CCCC1)=[NH+]CC ZINC000066246475 343709959 /nfs/dbraw/zinc/70/99/59/343709959.db2.gz BEDUXDUHUDVWCV-CQSZACIVSA-N 2 1 292.427 2.300 20 30 CEEDMP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)CC1(C#N)CCOCC1 ZINC000602512788 347062736 /nfs/dbraw/zinc/06/27/36/347062736.db2.gz ZCDOKGYUPDXOAP-HNNXBMFYSA-N 2 1 281.444 2.405 20 30 CEEDMP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000591578156 345266213 /nfs/dbraw/zinc/26/62/13/345266213.db2.gz BWUXMRNMJUDLCY-CVEARBPZSA-N 2 1 255.365 2.263 20 30 CEEDMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CCCSCC#N)C2 ZINC000595508148 345799048 /nfs/dbraw/zinc/79/90/48/345799048.db2.gz UMGXHYVBGRIMCA-AWEZNQCLSA-N 2 1 267.442 2.051 20 30 CEEDMP C[NH+]1CC[C@]2(C1)CCC[N@H+](CCCSCC#N)C2 ZINC000595508148 345799050 /nfs/dbraw/zinc/79/90/50/345799050.db2.gz UMGXHYVBGRIMCA-AWEZNQCLSA-N 2 1 267.442 2.051 20 30 CEEDMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CCCSCC#N)C2 ZINC000595508148 345799053 /nfs/dbraw/zinc/79/90/53/345799053.db2.gz UMGXHYVBGRIMCA-AWEZNQCLSA-N 2 1 267.442 2.051 20 30 CEEDMP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CCc1ccc(C#N)cc1 ZINC000595891475 345907714 /nfs/dbraw/zinc/90/77/14/345907714.db2.gz IIPZUQBVUJMVGS-DVOMOZLQSA-N 2 1 257.381 2.077 20 30 CEEDMP N#Cc1ccc(CC[N@H+]2CC3CCC2(C[NH3+])CC3)cc1 ZINC000595897090 345909168 /nfs/dbraw/zinc/90/91/68/345909168.db2.gz OFCCNZGEAXGFAA-UHFFFAOYSA-N 2 1 269.392 2.304 20 30 CEEDMP N#Cc1ccc(CC[N@@H+]2CC3CCC2(C[NH3+])CC3)cc1 ZINC000595897090 345909170 /nfs/dbraw/zinc/90/91/70/345909170.db2.gz OFCCNZGEAXGFAA-UHFFFAOYSA-N 2 1 269.392 2.304 20 30 CEEDMP CCC[NH+]1CCC([N@@H+](C)C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598591976 346379455 /nfs/dbraw/zinc/37/94/55/346379455.db2.gz CXXWBWGHNWQRAV-OAHLLOKOSA-N 2 1 281.444 2.093 20 30 CEEDMP N#Cc1ccccc1C[N@@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000598683293 346400406 /nfs/dbraw/zinc/40/04/06/346400406.db2.gz REDFTAHRMNJEMQ-KSZLIROESA-N 2 1 299.418 2.277 20 30 CEEDMP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@@](C)(C#N)C2)CC1 ZINC000619720331 349229074 /nfs/dbraw/zinc/22/90/74/349229074.db2.gz CGHMAUOMSJEZEH-KRWDZBQOSA-N 2 1 292.471 2.028 20 30 CEEDMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@@](C)(C#N)C2)CC1 ZINC000619720331 349229079 /nfs/dbraw/zinc/22/90/79/349229079.db2.gz CGHMAUOMSJEZEH-KRWDZBQOSA-N 2 1 292.471 2.028 20 30 CEEDMP C=CCc1cc(C[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)cc(OC)c1O ZINC000578244826 366466920 /nfs/dbraw/zinc/46/69/20/366466920.db2.gz OGCNWGFQDDHBGY-DOMZBBRYSA-N 2 1 290.407 2.441 20 30 CEEDMP C=CCc1cc(C[N@H+]2CC[C@H]([NH3+])C[C@H]2C)cc(OC)c1O ZINC000578244826 366466926 /nfs/dbraw/zinc/46/69/26/366466926.db2.gz OGCNWGFQDDHBGY-DOMZBBRYSA-N 2 1 290.407 2.441 20 30 CEEDMP CCC#C[C@@H](C)[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000677478061 541018139 /nfs/dbraw/zinc/01/81/39/541018139.db2.gz KXORWZJIAGPCKY-KURKYZTESA-N 2 1 291.483 2.279 20 30 CEEDMP CCC#C[C@@H](C)[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000677478061 541018140 /nfs/dbraw/zinc/01/81/40/541018140.db2.gz KXORWZJIAGPCKY-KURKYZTESA-N 2 1 291.483 2.279 20 30 CEEDMP C=CC[NH+](C)CCN(CC)CC[C@H]1CCCC[N@H+]1C ZINC000582406630 366907950 /nfs/dbraw/zinc/90/79/50/366907950.db2.gz XLSJHPGHLIJKCK-MRXNPFEDSA-N 2 1 267.461 2.301 20 30 CEEDMP C=CC[N@@H+](C)CCN(CC)CC[C@H]1CCCC[NH+]1C ZINC000582406630 366907954 /nfs/dbraw/zinc/90/79/54/366907954.db2.gz XLSJHPGHLIJKCK-MRXNPFEDSA-N 2 1 267.461 2.301 20 30 CEEDMP C=CC[N@H+](C)CCN(CC)CC[C@H]1CCCC[NH+]1C ZINC000582406630 366907956 /nfs/dbraw/zinc/90/79/56/366907956.db2.gz XLSJHPGHLIJKCK-MRXNPFEDSA-N 2 1 267.461 2.301 20 30 CEEDMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(CC#N)cc2)C1 ZINC000343550860 367878617 /nfs/dbraw/zinc/87/86/17/367878617.db2.gz LOHYRTCRUINHMZ-MRXNPFEDSA-N 2 1 257.381 2.136 20 30 CEEDMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(OCC#N)cc2)[C@H](C)C1 ZINC000180548733 368386534 /nfs/dbraw/zinc/38/65/34/368386534.db2.gz QPPBFCYCAHOIJZ-PBHICJAKSA-N 2 1 287.407 2.409 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCOC[C@H]2C)CC1 ZINC000192539513 369826485 /nfs/dbraw/zinc/82/64/85/369826485.db2.gz NLWKJTYQPJZOQZ-HIFRSBDPSA-N 2 1 252.402 2.042 20 30 CEEDMP COc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1C#N ZINC000247887508 371145618 /nfs/dbraw/zinc/14/56/18/371145618.db2.gz DNENRBQCOGDBPM-NVXWUHKLSA-N 2 1 299.418 2.483 20 30 CEEDMP COc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1C#N ZINC000247887508 371145625 /nfs/dbraw/zinc/14/56/25/371145625.db2.gz DNENRBQCOGDBPM-NVXWUHKLSA-N 2 1 299.418 2.483 20 30 CEEDMP COc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1C#N ZINC000247887508 371145629 /nfs/dbraw/zinc/14/56/29/371145629.db2.gz DNENRBQCOGDBPM-NVXWUHKLSA-N 2 1 299.418 2.483 20 30 CEEDMP COc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1C#N ZINC000247887508 371145635 /nfs/dbraw/zinc/14/56/35/371145635.db2.gz DNENRBQCOGDBPM-NVXWUHKLSA-N 2 1 299.418 2.483 20 30 CEEDMP C=C(CC)C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000358618908 371141287 /nfs/dbraw/zinc/14/12/87/371141287.db2.gz XZWUFVJDNZLMMN-RRFJBIMHSA-N 2 1 252.402 2.136 20 30 CEEDMP C=CCC1([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)CCOCC1 ZINC000639313929 371219831 /nfs/dbraw/zinc/21/98/31/371219831.db2.gz BJXUJOWYTPGYCD-ZIAGYGMSSA-N 2 1 252.402 2.184 20 30 CEEDMP C=CCC1([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)CCOCC1 ZINC000639313929 371219835 /nfs/dbraw/zinc/21/98/35/371219835.db2.gz BJXUJOWYTPGYCD-ZIAGYGMSSA-N 2 1 252.402 2.184 20 30 CEEDMP C=CCOc1ccc(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)cc1 ZINC000261603819 371673158 /nfs/dbraw/zinc/67/31/58/371673158.db2.gz AHQVIGIJKXWXMM-INIZCTEOSA-N 2 1 260.381 2.422 20 30 CEEDMP C[C@@H](CNC(=[NH2+])NC(C)(C)C)[N@H+](C)Cc1ccccc1 ZINC000267421319 372072817 /nfs/dbraw/zinc/07/28/17/372072817.db2.gz KPZHNYOEDBNQJM-ZDUSSCGKSA-N 2 1 276.428 2.210 20 30 CEEDMP C[C@@H](CNC(=[NH2+])NC(C)(C)C)[N@@H+](C)Cc1ccccc1 ZINC000267421319 372072826 /nfs/dbraw/zinc/07/28/26/372072826.db2.gz KPZHNYOEDBNQJM-ZDUSSCGKSA-N 2 1 276.428 2.210 20 30 CEEDMP C=CC[C@H](CC)[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000644638946 373576920 /nfs/dbraw/zinc/57/69/20/373576920.db2.gz LNFUDHNACXQQGM-IRXDYDNUSA-N 2 1 276.424 2.424 20 30 CEEDMP C=CC[C@H](CC)[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000644638946 373576929 /nfs/dbraw/zinc/57/69/29/373576929.db2.gz LNFUDHNACXQQGM-IRXDYDNUSA-N 2 1 276.424 2.424 20 30 CEEDMP C[NH+](C)[C@H]1CCC[N@H+](CCOc2ccc(C#N)cc2)CC1 ZINC000277272519 374459687 /nfs/dbraw/zinc/45/96/87/374459687.db2.gz RTIBEJVCFYRMEQ-INIZCTEOSA-N 2 1 287.407 2.353 20 30 CEEDMP C[NH+](C)[C@H]1CCC[N@@H+](CCOc2ccc(C#N)cc2)CC1 ZINC000277272519 374459696 /nfs/dbraw/zinc/45/96/96/374459696.db2.gz RTIBEJVCFYRMEQ-INIZCTEOSA-N 2 1 287.407 2.353 20 30 CEEDMP C=CCNC(=[NH2+])NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000374006536 374465944 /nfs/dbraw/zinc/46/59/44/374465944.db2.gz UOOQMJPMTPUMGQ-QGZVFWFLSA-N 2 1 286.423 2.199 20 30 CEEDMP C#Cc1ccc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000292783991 377280039 /nfs/dbraw/zinc/28/00/39/377280039.db2.gz LQPPNTYYUWSMJX-KRWDZBQOSA-N 2 1 254.377 2.196 20 30 CEEDMP C#Cc1ccc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)cc1 ZINC000292783991 377280045 /nfs/dbraw/zinc/28/00/45/377280045.db2.gz LQPPNTYYUWSMJX-KRWDZBQOSA-N 2 1 254.377 2.196 20 30 CEEDMP C#Cc1ccc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000292783991 377280050 /nfs/dbraw/zinc/28/00/50/377280050.db2.gz LQPPNTYYUWSMJX-KRWDZBQOSA-N 2 1 254.377 2.196 20 30 CEEDMP C#Cc1ccc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000292783991 377280059 /nfs/dbraw/zinc/28/00/59/377280059.db2.gz LQPPNTYYUWSMJX-KRWDZBQOSA-N 2 1 254.377 2.196 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1cc(F)ccc1O ZINC000294947968 378031351 /nfs/dbraw/zinc/03/13/51/378031351.db2.gz IKCLFTBKABMCFU-GFCCVEGCSA-N 2 1 264.344 2.137 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1cc(F)ccc1O ZINC000294947968 378031355 /nfs/dbraw/zinc/03/13/55/378031355.db2.gz IKCLFTBKABMCFU-GFCCVEGCSA-N 2 1 264.344 2.137 20 30 CEEDMP CCCNC(=[NH2+])NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000304800885 379596770 /nfs/dbraw/zinc/59/67/70/379596770.db2.gz OVGVRXUXJKSCKB-GXTWGEPZSA-N 2 1 294.468 2.445 20 30 CEEDMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCCSCC#N)C1 ZINC000336803432 262395666 /nfs/dbraw/zinc/39/56/66/262395666.db2.gz YLJVRKRPJPAGCO-HNNXBMFYSA-N 2 1 281.469 2.297 20 30 CEEDMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCCSCC#N)C1 ZINC000336803432 262395667 /nfs/dbraw/zinc/39/56/67/262395667.db2.gz YLJVRKRPJPAGCO-HNNXBMFYSA-N 2 1 281.469 2.297 20 30 CEEDMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCCSCC#N)C1 ZINC000336803432 262395668 /nfs/dbraw/zinc/39/56/68/262395668.db2.gz YLJVRKRPJPAGCO-HNNXBMFYSA-N 2 1 281.469 2.297 20 30 CEEDMP C[NH+]=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)NC(C)(C)C ZINC000103895443 394716853 /nfs/dbraw/zinc/71/68/53/394716853.db2.gz SEXPMTUYQGOYQW-ZDUSSCGKSA-N 2 1 292.427 2.380 20 30 CEEDMP C#Cc1ccc(CN2CC[C@@H]3CC[N@H+](C)C[C@H]32)cc1 ZINC000290487850 395106072 /nfs/dbraw/zinc/10/60/72/395106072.db2.gz VTPQMEYPNFPTND-DLBZAZTESA-N 2 1 254.377 2.194 20 30 CEEDMP C#Cc1ccc(C[N@H+]2CC[C@@H]3CCN(C)C[C@H]32)cc1 ZINC000290487850 395106076 /nfs/dbraw/zinc/10/60/76/395106076.db2.gz VTPQMEYPNFPTND-DLBZAZTESA-N 2 1 254.377 2.194 20 30 CEEDMP C#Cc1ccc(C[N@@H+]2CC[C@@H]3CCN(C)C[C@H]32)cc1 ZINC000290487850 395106080 /nfs/dbraw/zinc/10/60/80/395106080.db2.gz VTPQMEYPNFPTND-DLBZAZTESA-N 2 1 254.377 2.194 20 30 CEEDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CCCCC#N)C1 ZINC000350331415 395184892 /nfs/dbraw/zinc/18/48/92/395184892.db2.gz QNNBHNCIFZIAPZ-HNNXBMFYSA-N 2 1 267.417 2.113 20 30 CEEDMP C=C(C)COCC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000353616947 395303236 /nfs/dbraw/zinc/30/32/36/395303236.db2.gz CFKDXUGXDVZHSL-KFWWJZLASA-N 2 1 252.402 2.042 20 30 CEEDMP C=CCCCC[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000569899638 395580906 /nfs/dbraw/zinc/58/09/06/395580906.db2.gz GMLNRHMDSLDYQA-IAGOWNOFSA-N 2 1 279.472 2.301 20 30 CEEDMP COCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000173641948 165077948 /nfs/dbraw/zinc/07/79/48/165077948.db2.gz PZLGAHYHHVWXGJ-AWEZNQCLSA-N 2 1 287.407 2.320 20 30 CEEDMP C[C@@H]1CCC[N@@H+](CCNC(=[NH2+])Nc2cc(F)ccc2F)C1 ZINC000288807551 263106251 /nfs/dbraw/zinc/10/62/51/263106251.db2.gz ZZSZCPXFZIMKOO-LLVKDONJSA-N 2 1 296.365 2.423 20 30 CEEDMP C=CCOc1ccc(C[NH2+]C[C@H]([NH3+])CC)cc1OC ZINC000414975081 263175509 /nfs/dbraw/zinc/17/55/09/263175509.db2.gz FURUSKBNUXKPFZ-CYBMUJFWSA-N 2 1 264.369 2.087 20 30 CEEDMP C=CCc1cc(C[NH2+]C[C@@H]([NH3+])C(C)C)cc(OC)c1O ZINC000414793700 328228675 /nfs/dbraw/zinc/22/86/75/328228675.db2.gz LCUSQSXTKSBRIO-CQSZACIVSA-N 2 1 278.396 2.202 20 30 CEEDMP C=CCC[C@H](O)C[N@H+](C1CC1)C1CC[NH+](CC)CC1 ZINC000378444151 329050221 /nfs/dbraw/zinc/05/02/21/329050221.db2.gz WCSCDXGUTNZCON-INIZCTEOSA-N 2 1 266.429 2.262 20 30 CEEDMP C=CCC[C@H](O)C[N@@H+](C1CC1)C1CC[NH+](CC)CC1 ZINC000378444151 329050225 /nfs/dbraw/zinc/05/02/25/329050225.db2.gz WCSCDXGUTNZCON-INIZCTEOSA-N 2 1 266.429 2.262 20 30 CEEDMP C[C@@H](C[NH3+])[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000423380353 330199007 /nfs/dbraw/zinc/19/90/07/330199007.db2.gz YLMXWEIJJOJDFD-JEYLPNPQSA-N 2 1 257.381 2.327 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)C2(OC)CCOCC2)CC1 ZINC000453101556 331089232 /nfs/dbraw/zinc/08/92/32/331089232.db2.gz OIJLRXBHVXJKRS-OAHLLOKOSA-N 2 1 296.455 2.201 20 30 CEEDMP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459521137 331285700 /nfs/dbraw/zinc/28/57/00/331285700.db2.gz DCEJIZIYAHMVLG-CJNGLKHVSA-N 2 1 264.413 2.184 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)CCc1n[nH]c2ccccc21 ZINC000491666758 332275105 /nfs/dbraw/zinc/27/51/05/332275105.db2.gz XEULZFVKWCFOOK-HNNXBMFYSA-N 2 1 298.434 2.429 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)CCc1n[nH]c2ccccc21 ZINC000491666758 332275107 /nfs/dbraw/zinc/27/51/07/332275107.db2.gz XEULZFVKWCFOOK-HNNXBMFYSA-N 2 1 298.434 2.429 20 30 CEEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C[C@H]1C ZINC000948040443 613271234 /nfs/dbraw/zinc/27/12/34/613271234.db2.gz QAAIGQJSXDNOLY-CVEARBPZSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCCN1C ZINC000968920438 613684311 /nfs/dbraw/zinc/68/43/11/613684311.db2.gz VEZIRGOVCIKAAK-HZPDHXFCSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC000968920438 613684313 /nfs/dbraw/zinc/68/43/13/613684313.db2.gz VEZIRGOVCIKAAK-HZPDHXFCSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC000968920438 613684314 /nfs/dbraw/zinc/68/43/14/613684314.db2.gz VEZIRGOVCIKAAK-HZPDHXFCSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC000968920438 613684316 /nfs/dbraw/zinc/68/43/16/613684316.db2.gz VEZIRGOVCIKAAK-HZPDHXFCSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC000968920438 613684317 /nfs/dbraw/zinc/68/43/17/613684317.db2.gz VEZIRGOVCIKAAK-HZPDHXFCSA-N 2 1 293.455 2.018 20 30 CEEDMP CCCNC(=[NH2+])NC[C@H](CC)[N@H+]1CCc2ccccc2C1 ZINC000104167586 624319845 /nfs/dbraw/zinc/31/98/45/624319845.db2.gz GGSAYQJBZMOIFZ-INIZCTEOSA-N 2 1 288.439 2.138 20 30 CEEDMP C#CC[N@H+](C)CCCNC1CC[NH+](CCC(C)C)CC1 ZINC000926490642 624925552 /nfs/dbraw/zinc/92/55/52/624925552.db2.gz PSLVLWTVBKLAOH-UHFFFAOYSA-N 2 1 279.472 2.042 20 30 CEEDMP C#CCN(C)CCC[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000926490642 624925553 /nfs/dbraw/zinc/92/55/53/624925553.db2.gz PSLVLWTVBKLAOH-UHFFFAOYSA-N 2 1 279.472 2.042 20 30 CEEDMP CC[NH+](CC)[C@H](CNC(NC1CC1)=[NH+]C)c1ccccc1 ZINC000103337599 624936333 /nfs/dbraw/zinc/93/63/33/624936333.db2.gz YZSWNRIRPIAZRJ-MRXNPFEDSA-N 2 1 288.439 2.397 20 30 CEEDMP CC1(C#N)CCC([NH2+]CCCCC[NH+]2CCNCC2)CC1 ZINC000925845753 628947951 /nfs/dbraw/zinc/94/79/51/628947951.db2.gz INNOLCQYBFBORJ-UHFFFAOYSA-N 2 1 292.471 2.124 20 30 CEEDMP C=CC[N@H+](C)C1CCN(C(=O)c2cc3c[nH]ccc-3n2)CC1 ZINC000985494877 631107410 /nfs/dbraw/zinc/10/74/10/631107410.db2.gz JJORYBRGSDTQFZ-UHFFFAOYSA-N 2 1 298.390 2.285 20 30 CEEDMP C=C(CC[NH+](C)C)C(=O)NC[C@@H]1CCCC[N@@H+]1CCCC ZINC000900469154 633734183 /nfs/dbraw/zinc/73/41/83/633734183.db2.gz ZTJHJKKJMBULTG-INIZCTEOSA-N 2 1 295.471 2.265 20 30 CEEDMP C#CCOc1ccc([C@H](C)[NH2+]C[C@H]([NH3+])C2CC2)cc1 ZINC000817964520 633807124 /nfs/dbraw/zinc/80/71/24/633807124.db2.gz BGARXVBXUWQYHU-LRDDRELGSA-N 2 1 258.365 2.087 20 30 CEEDMP N#CC1(CCCC[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)CCC1 ZINC000903788326 635271507 /nfs/dbraw/zinc/27/15/07/635271507.db2.gz IQXUFSMJSDYSME-LSDHHAIUSA-N 2 1 261.413 2.392 20 30 CEEDMP C=CC[C@H]1CCC[N@H+](C[C@@H](C[NH3+])Cc2cnn(C)c2C)C1 ZINC000903933798 635359259 /nfs/dbraw/zinc/35/92/59/635359259.db2.gz VNOUTHNHCLNKGH-JKSUJKDBSA-N 2 1 290.455 2.134 20 30 CEEDMP C=CCOc1ccccc1C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000904410659 635616364 /nfs/dbraw/zinc/61/63/64/635616364.db2.gz QQOVOOZNHNIFQD-AWEZNQCLSA-N 2 1 260.381 2.422 20 30 CEEDMP CC(C)[NH+]=C(NC[C@H]1CC[N@H+](C(C)C)C1)NC(C)(C)C ZINC000912509493 638714128 /nfs/dbraw/zinc/71/41/28/638714128.db2.gz IFIDNOIUEYWESR-CQSZACIVSA-N 2 1 282.476 2.459 20 30 CEEDMP CC[N@H+](CC[NH2+][C@H](C)CC1(C#N)CCOCC1)C(C)C ZINC000876995235 650524144 /nfs/dbraw/zinc/52/41/44/650524144.db2.gz CLRUMGLILSIOHW-OAHLLOKOSA-N 2 1 281.444 2.405 20 30 CEEDMP CC[N@@H+](CC[NH2+][C@H](C)CC1(C#N)CCOCC1)C(C)C ZINC000876995235 650524145 /nfs/dbraw/zinc/52/41/45/650524145.db2.gz CLRUMGLILSIOHW-OAHLLOKOSA-N 2 1 281.444 2.405 20 30 CEEDMP c1nncn1[NH+]=C1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000841605543 639791991 /nfs/dbraw/zinc/79/19/91/639791991.db2.gz XGLPLNGMNKXUHQ-MRXNPFEDSA-N 2 1 281.363 2.482 20 30 CEEDMP c1nncn1[NH+]=C1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000841605543 639792007 /nfs/dbraw/zinc/79/20/07/639792007.db2.gz XGLPLNGMNKXUHQ-MRXNPFEDSA-N 2 1 281.363 2.482 20 30 CEEDMP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000999403045 642487195 /nfs/dbraw/zinc/48/71/95/642487195.db2.gz ULBFKXUEDHZVIE-CVEARBPZSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)CC[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001003158955 642918813 /nfs/dbraw/zinc/91/88/13/642918813.db2.gz KPBSPXPRDGKDHM-INIZCTEOSA-N 2 1 293.455 2.018 20 30 CEEDMP C[C@H]1CC2(C[N@H+]1C[C@@H](O)c1ccc(C#N)cc1)CC[NH2+]CC2 ZINC000923382578 643688356 /nfs/dbraw/zinc/68/83/56/643688356.db2.gz DDRHHFZJVDPCIL-WMLDXEAASA-N 2 1 299.418 2.056 20 30 CEEDMP C=CCC[C@@H](O)C[N@@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000923386727 643692680 /nfs/dbraw/zinc/69/26/80/643692680.db2.gz APYUKZSSMLQNBK-RBSFLKMASA-N 2 1 254.418 2.153 20 30 CEEDMP C#Cc1ccc(C[NH+]2CC[C@@H]3[C@H](CC[N@H+]3C)C2)cc1 ZINC000877741724 650885578 /nfs/dbraw/zinc/88/55/78/650885578.db2.gz NIDCLYWMGNLQEZ-IAGOWNOFSA-N 2 1 254.377 2.194 20 30 CEEDMP C#Cc1ccc(C[NH+]2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)cc1 ZINC000877741724 650885581 /nfs/dbraw/zinc/88/55/81/650885581.db2.gz NIDCLYWMGNLQEZ-IAGOWNOFSA-N 2 1 254.377 2.194 20 30 CEEDMP C#Cc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)cc1 ZINC000877741724 650885586 /nfs/dbraw/zinc/88/55/86/650885586.db2.gz NIDCLYWMGNLQEZ-IAGOWNOFSA-N 2 1 254.377 2.194 20 30 CEEDMP C#Cc1ccc(C[N@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)cc1 ZINC000877741724 650885591 /nfs/dbraw/zinc/88/55/91/650885591.db2.gz NIDCLYWMGNLQEZ-IAGOWNOFSA-N 2 1 254.377 2.194 20 30 CEEDMP N#Cc1ccccc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000857083391 644811962 /nfs/dbraw/zinc/81/19/62/644811962.db2.gz CHJHIFHKBYSMNH-UHFFFAOYSA-N 2 1 255.365 2.134 20 30 CEEDMP C#CCCCCC[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000878287760 651054332 /nfs/dbraw/zinc/05/43/32/651054332.db2.gz IOCQDGMVDLMRCO-GVDBMIGSSA-N 2 1 278.440 2.364 20 30 CEEDMP C[C@@H](C#N)C[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775655264 646976545 /nfs/dbraw/zinc/97/65/45/646976545.db2.gz CDHHDYOXHXTHBM-HNNXBMFYSA-N 2 1 286.423 2.030 20 30 CEEDMP C[C@@H](C#N)C[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775655264 646976546 /nfs/dbraw/zinc/97/65/46/646976546.db2.gz CDHHDYOXHXTHBM-HNNXBMFYSA-N 2 1 286.423 2.030 20 30 CEEDMP CC(=NNc1cc[nH+]cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000779808471 647358542 /nfs/dbraw/zinc/35/85/42/647358542.db2.gz ADPZYQCHJQUGRU-UHFFFAOYSA-N 2 1 298.390 2.280 20 30 CEEDMP C[N@@H+]1CC[C@H]2C[NH+](CCCOc3cccc(C#N)c3)CC[C@@H]21 ZINC000879575497 651324662 /nfs/dbraw/zinc/32/46/62/651324662.db2.gz LAEBROCYYNBMMX-WMZOPIPTSA-N 2 1 299.418 2.353 20 30 CEEDMP C[N@H+]1CC[C@H]2C[NH+](CCCOc3cccc(C#N)c3)CC[C@@H]21 ZINC000879575497 651324664 /nfs/dbraw/zinc/32/46/64/651324664.db2.gz LAEBROCYYNBMMX-WMZOPIPTSA-N 2 1 299.418 2.353 20 30 CEEDMP C[NH+]1CC[C@H]2C[N@H+](CCCOc3cccc(C#N)c3)CC[C@@H]21 ZINC000879575497 651324665 /nfs/dbraw/zinc/32/46/65/651324665.db2.gz LAEBROCYYNBMMX-WMZOPIPTSA-N 2 1 299.418 2.353 20 30 CEEDMP C[NH+]1CC[C@H]2C[N@@H+](CCCOc3cccc(C#N)c3)CC[C@@H]21 ZINC000879575497 651324667 /nfs/dbraw/zinc/32/46/67/651324667.db2.gz LAEBROCYYNBMMX-WMZOPIPTSA-N 2 1 299.418 2.353 20 30 CEEDMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc(CC#N)cc3)CC[C@H]21 ZINC000879581786 651327207 /nfs/dbraw/zinc/32/72/07/651327207.db2.gz ODYQMHVJXVTWMK-IAGOWNOFSA-N 2 1 269.392 2.279 20 30 CEEDMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(CC#N)cc3)CC[C@H]21 ZINC000879581786 651327208 /nfs/dbraw/zinc/32/72/08/651327208.db2.gz ODYQMHVJXVTWMK-IAGOWNOFSA-N 2 1 269.392 2.279 20 30 CEEDMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(CC#N)cc3)CC[C@H]21 ZINC000879581786 651327209 /nfs/dbraw/zinc/32/72/09/651327209.db2.gz ODYQMHVJXVTWMK-IAGOWNOFSA-N 2 1 269.392 2.279 20 30 CEEDMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(CC#N)cc3)CC[C@H]21 ZINC000879581786 651327211 /nfs/dbraw/zinc/32/72/11/651327211.db2.gz ODYQMHVJXVTWMK-IAGOWNOFSA-N 2 1 269.392 2.279 20 30 CEEDMP C[C@@H](C#N)OCC[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000880516898 651454304 /nfs/dbraw/zinc/45/43/04/651454304.db2.gz CWFCLSYCWBKIMQ-HNNXBMFYSA-N 2 1 267.417 2.113 20 30 CEEDMP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001210789653 802734834 /nfs/dbraw/zinc/73/48/34/802734834.db2.gz PTBZROXKWYLXNS-INIZCTEOSA-N 2 1 295.471 2.265 20 30 CEEDMP C=CCC[C@H](C)[NH2+]CCN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001267418618 803460494 /nfs/dbraw/zinc/46/04/94/803460494.db2.gz MAAFLOVHLDNHBM-JYJNAYRXSA-N 2 1 295.471 2.119 20 30 CEEDMP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001027562381 804125489 /nfs/dbraw/zinc/12/54/89/804125489.db2.gz NUMARDCYGWVVRZ-HZPDHXFCSA-N 2 1 295.471 2.072 20 30 CEEDMP C=C(C)C[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001027879040 804313485 /nfs/dbraw/zinc/31/34/85/804313485.db2.gz LYHPPOVXBKFGMW-HOTGVXAUSA-N 2 1 293.455 2.016 20 30 CEEDMP C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001027879040 804313494 /nfs/dbraw/zinc/31/34/94/804313494.db2.gz LYHPPOVXBKFGMW-HOTGVXAUSA-N 2 1 293.455 2.016 20 30 CEEDMP C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001027879040 804313503 /nfs/dbraw/zinc/31/35/03/804313503.db2.gz LYHPPOVXBKFGMW-HOTGVXAUSA-N 2 1 293.455 2.016 20 30 CEEDMP N#CC1(c2ccccc2)CC([NH2+]CC2([NH3+])CCCC2)C1 ZINC001118546110 815024008 /nfs/dbraw/zinc/02/40/08/815024008.db2.gz NPWQYFMSFIHFKT-UHFFFAOYSA-N 2 1 269.392 2.471 20 30 CEEDMP N#C[C@@H]1CCC[N@H+](C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168387701 807044899 /nfs/dbraw/zinc/04/48/99/807044899.db2.gz QJQOMLRIKMTZIY-CQSZACIVSA-N 2 1 261.413 2.486 20 30 CEEDMP C=CCC[N@@H+]1CC[C@@H]1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001269308444 805121840 /nfs/dbraw/zinc/12/18/40/805121840.db2.gz CAAPZWGSLPZFNQ-JKSUJKDBSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCCC[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)CC)[C@H](C)C1 ZINC001269981121 805301660 /nfs/dbraw/zinc/30/16/60/805301660.db2.gz JVBADJLXSGIAIF-CVEARBPZSA-N 2 1 295.471 2.264 20 30 CEEDMP C=C(C)CC[NH2+]CCNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001127674052 808185114 /nfs/dbraw/zinc/18/51/14/808185114.db2.gz DTPBZJPIURNYLS-CQSZACIVSA-N 2 1 292.427 2.069 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)C[C@H]2CCOC2)CC1 ZINC000765835681 808811045 /nfs/dbraw/zinc/81/10/45/808811045.db2.gz KPCIBCLREAYJCA-HUUCEWRRSA-N 2 1 266.429 2.432 20 30 CEEDMP C=CC[N@@H+]1CC[C@H](N(CC)C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001033887811 809444100 /nfs/dbraw/zinc/44/41/00/809444100.db2.gz PFXLVZPCMALUED-HNNXBMFYSA-N 2 1 298.390 2.057 20 30 CEEDMP C=CC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001034205771 809547843 /nfs/dbraw/zinc/54/78/43/809547843.db2.gz YGWFLNXZZULTNA-HOTGVXAUSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001034205771 809547850 /nfs/dbraw/zinc/54/78/50/809547850.db2.gz YGWFLNXZZULTNA-HOTGVXAUSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001034205771 809547855 /nfs/dbraw/zinc/54/78/55/809547855.db2.gz YGWFLNXZZULTNA-HOTGVXAUSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCCN2C)C1 ZINC001034269242 809567471 /nfs/dbraw/zinc/56/74/71/809567471.db2.gz CTIBJIDUNQMFNO-CVEARBPZSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001034269242 809567474 /nfs/dbraw/zinc/56/74/74/809567474.db2.gz CTIBJIDUNQMFNO-CVEARBPZSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001034269242 809567477 /nfs/dbraw/zinc/56/74/77/809567477.db2.gz CTIBJIDUNQMFNO-CVEARBPZSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001034269242 809567482 /nfs/dbraw/zinc/56/74/82/809567482.db2.gz CTIBJIDUNQMFNO-CVEARBPZSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001034269242 809567487 /nfs/dbraw/zinc/56/74/87/809567487.db2.gz CTIBJIDUNQMFNO-CVEARBPZSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CC[N@H+]1CCCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001034308413 809575259 /nfs/dbraw/zinc/57/52/59/809575259.db2.gz BGQLMOLBBPZPJG-OAHLLOKOSA-N 2 1 298.390 2.105 20 30 CEEDMP C=C(C)C[NH+]1CCCC[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001034400284 809600771 /nfs/dbraw/zinc/60/07/71/809600771.db2.gz XIAYXQHAJYCQLR-HOTGVXAUSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)C[N@H+]1CCCC[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001034400284 809600777 /nfs/dbraw/zinc/60/07/77/809600777.db2.gz XIAYXQHAJYCQLR-HOTGVXAUSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)C[N@@H+]1CCCC[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001034400284 809600780 /nfs/dbraw/zinc/60/07/80/809600780.db2.gz XIAYXQHAJYCQLR-HOTGVXAUSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001034537984 809628233 /nfs/dbraw/zinc/62/82/33/809628233.db2.gz GVJJBWBFKMEADY-HZPDHXFCSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001034537984 809628235 /nfs/dbraw/zinc/62/82/35/809628235.db2.gz GVJJBWBFKMEADY-HZPDHXFCSA-N 2 1 293.455 2.018 20 30 CEEDMP C[C@H](Cc1ccc(C#N)cc1)n1c[nH+]cc1CC[NH3+] ZINC001172289745 815381806 /nfs/dbraw/zinc/38/18/06/815381806.db2.gz HBATWGKNWDZDTB-GFCCVEGCSA-N 2 1 254.337 2.060 20 30 CEEDMP C=C(C)C[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001038781703 810913634 /nfs/dbraw/zinc/91/36/34/810913634.db2.gz PXNLZTSOLOGWQD-HOTGVXAUSA-N 2 1 293.455 2.016 20 30 CEEDMP C=C(C)C[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001038781703 810913640 /nfs/dbraw/zinc/91/36/40/810913640.db2.gz PXNLZTSOLOGWQD-HOTGVXAUSA-N 2 1 293.455 2.016 20 30 CEEDMP C=C(C)C[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001038781703 810913645 /nfs/dbraw/zinc/91/36/45/810913645.db2.gz PXNLZTSOLOGWQD-HOTGVXAUSA-N 2 1 293.455 2.016 20 30 CEEDMP C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001038781703 810913649 /nfs/dbraw/zinc/91/36/49/810913649.db2.gz PXNLZTSOLOGWQD-HOTGVXAUSA-N 2 1 293.455 2.016 20 30 CEEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](CC)CC)C2 ZINC001109864929 811962200 /nfs/dbraw/zinc/96/22/00/811962200.db2.gz BOSQEKNSVIJMBT-PMPSAXMXSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CCC[C@H](C)[NH2+]CCNC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001129423048 812492539 /nfs/dbraw/zinc/49/25/39/812492539.db2.gz OPERMETWIVNQIO-HOTGVXAUSA-N 2 1 295.471 2.310 20 30 CEEDMP C=C(C)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001135475972 813446242 /nfs/dbraw/zinc/44/62/42/813446242.db2.gz HMKUDDITVGMCBT-GJZGRUSLSA-N 2 1 297.487 2.413 20 30 CEEDMP C=CC[NH2+][C@H]1CCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)[C@H]1C ZINC001074686195 813843627 /nfs/dbraw/zinc/84/36/27/813843627.db2.gz YCNMJEGOGWESGT-XHSDSOJGSA-N 2 1 293.455 2.014 20 30 CEEDMP C=C(C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC[NH+](C)C ZINC001099214679 813995892 /nfs/dbraw/zinc/99/58/92/813995892.db2.gz LZZLUBXEZVDGOT-HNNXBMFYSA-N 2 1 295.471 2.121 20 30 CEEDMP C=CCC[C@@H](C)[NH2+]C1CC(CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001101039590 814215242 /nfs/dbraw/zinc/21/52/42/814215242.db2.gz SYOOCOUKUJUMEP-QQFBHYJXSA-N 2 1 295.471 2.166 20 30 CEEDMP C=CCOC1CCC(n2c(C)c[nH+]c2CC[NH3+])CC1 ZINC001173311158 815664285 /nfs/dbraw/zinc/66/42/85/815664285.db2.gz GWECWHHNDXWJCY-UHFFFAOYSA-N 2 1 263.385 2.379 20 30 CEEDMP CC[N@H+]1CC[C@H](NC(=[NH2+])c2ccc3ccccc3n2)C1 ZINC001173358567 815699440 /nfs/dbraw/zinc/69/94/40/815699440.db2.gz KITNJUWQJDUUPW-ZDUSSCGKSA-N 2 1 268.364 2.034 20 30 CEEDMP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](Cc1c[nH]c3cc(C#N)ccc13)C2 ZINC001142926532 816759845 /nfs/dbraw/zinc/75/98/45/816759845.db2.gz UWZBSTJGNFEUFJ-CRAIPNDOSA-N 2 1 294.402 2.423 20 30 CEEDMP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](Cc1c[nH]c3cc(C#N)ccc13)C2 ZINC001142926532 816759849 /nfs/dbraw/zinc/75/98/49/816759849.db2.gz UWZBSTJGNFEUFJ-CRAIPNDOSA-N 2 1 294.402 2.423 20 30 CEEDMP C=CCC[C@H](C)[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)[C@H]1C ZINC001179308693 816848819 /nfs/dbraw/zinc/84/88/19/816848819.db2.gz KIZYWRQBDNWJGW-YHUYYLMFSA-N 2 1 293.455 2.014 20 30 CEEDMP N#Cc1ccc(CC[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC000601334983 346823659 /nfs/dbraw/zinc/82/36/59/346823659.db2.gz PSKCJFDHDYVXOE-DLBZAZTESA-N 2 1 269.392 2.175 20 30 CEEDMP N#Cc1ccc(CC[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)cc1 ZINC000601334984 346823675 /nfs/dbraw/zinc/82/36/75/346823675.db2.gz PSKCJFDHDYVXOE-IAGOWNOFSA-N 2 1 269.392 2.175 20 30 CEEDMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000037748866 361928590 /nfs/dbraw/zinc/92/85/90/361928590.db2.gz ZVOPWJSXNWXECR-XJKCOSOUSA-N 2 1 257.381 2.377 20 30 CEEDMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000037748866 361928592 /nfs/dbraw/zinc/92/85/92/361928592.db2.gz ZVOPWJSXNWXECR-XJKCOSOUSA-N 2 1 257.381 2.377 20 30 CEEDMP CC[NH+]1CCC([N@H+](C)CCOc2ccc(C#N)cc2)CC1 ZINC000042679753 362108198 /nfs/dbraw/zinc/10/81/98/362108198.db2.gz BDTUKJGDLOPVBS-UHFFFAOYSA-N 2 1 287.407 2.353 20 30 CEEDMP CC[NH+]1CCC([N@@H+](C)CCOc2ccc(C#N)cc2)CC1 ZINC000042679753 362108204 /nfs/dbraw/zinc/10/82/04/362108204.db2.gz BDTUKJGDLOPVBS-UHFFFAOYSA-N 2 1 287.407 2.353 20 30 CEEDMP Cc1cc(C#N)ccc1CN1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000312736624 344739910 /nfs/dbraw/zinc/73/99/10/344739910.db2.gz UJOAWKNNUFGRKV-KRWDZBQOSA-N 2 1 269.392 2.394 20 30 CEEDMP Cc1cc(C#N)ccc1C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000312736624 344739912 /nfs/dbraw/zinc/73/99/12/344739912.db2.gz UJOAWKNNUFGRKV-KRWDZBQOSA-N 2 1 269.392 2.394 20 30 CEEDMP Cc1cc(C#N)ccc1C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000312736624 344739917 /nfs/dbraw/zinc/73/99/17/344739917.db2.gz UJOAWKNNUFGRKV-KRWDZBQOSA-N 2 1 269.392 2.394 20 30 CEEDMP C[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccc(C#N)cc1F ZINC000591572797 345265455 /nfs/dbraw/zinc/26/54/55/345265455.db2.gz SDHKMTAILGNVAX-WCQYABFASA-N 2 1 261.344 2.490 20 30 CEEDMP N#Cc1cnccc1C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000595900834 345910361 /nfs/dbraw/zinc/91/03/61/345910361.db2.gz MWNKZKJQLVEZIK-HNNXBMFYSA-N 2 1 284.407 2.165 20 30 CEEDMP N#C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)C1 ZINC000596097537 345939520 /nfs/dbraw/zinc/93/95/20/345939520.db2.gz YUKPFOAOKBETHQ-OAGGEKHMSA-N 2 1 261.413 2.390 20 30 CEEDMP C=CCCSCC[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000596653038 346072004 /nfs/dbraw/zinc/07/20/04/346072004.db2.gz YTKRDQYNXDDHJA-NSHDSACASA-N 2 1 251.399 2.454 20 30 CEEDMP CC(C)(C#N)C[C@H](O)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000598595052 346380632 /nfs/dbraw/zinc/38/06/32/346380632.db2.gz MIMHPUNKCUIUOC-HOTGVXAUSA-N 2 1 293.455 2.095 20 30 CEEDMP C[N@@H+](CC1CC1)C[C@H]1CCN(Cc2ccnc(C#N)c2)C1 ZINC000610994068 347728774 /nfs/dbraw/zinc/72/87/74/347728774.db2.gz TWDZPOFUIFFTBW-MRXNPFEDSA-N 2 1 284.407 2.117 20 30 CEEDMP C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623512474 350038141 /nfs/dbraw/zinc/03/81/41/350038141.db2.gz IZLSSQNSVBAXFA-KKUMJFAQSA-N 2 1 266.429 2.430 20 30 CEEDMP C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623540157 350044954 /nfs/dbraw/zinc/04/49/54/350044954.db2.gz NNNRGOUSDBTKFY-MCIONIFRSA-N 2 1 252.402 2.182 20 30 CEEDMP C[C@H]1C[C@@H]([NH+](C)CCOc2ccccc2C#N)CC[N@@H+]1C ZINC000123122412 187071894 /nfs/dbraw/zinc/07/18/94/187071894.db2.gz VABBTQZFYOIVHX-HOCLYGCPSA-N 2 1 287.407 2.352 20 30 CEEDMP C[C@H]1C[C@@H]([NH+](C)CCOc2ccccc2C#N)CC[N@H+]1C ZINC000123122412 187071895 /nfs/dbraw/zinc/07/18/95/187071895.db2.gz VABBTQZFYOIVHX-HOCLYGCPSA-N 2 1 287.407 2.352 20 30 CEEDMP C[C@H]1C[C@@H]([N@H+](C)CCOc2ccccc2C#N)CC[NH+]1C ZINC000123122412 187071896 /nfs/dbraw/zinc/07/18/96/187071896.db2.gz VABBTQZFYOIVHX-HOCLYGCPSA-N 2 1 287.407 2.352 20 30 CEEDMP C[C@H]1C[C@@H]([N@@H+](C)CCOc2ccccc2C#N)CC[NH+]1C ZINC000123122412 187071897 /nfs/dbraw/zinc/07/18/97/187071897.db2.gz VABBTQZFYOIVHX-HOCLYGCPSA-N 2 1 287.407 2.352 20 30 CEEDMP FC(F)[C@@H]1CC[NH+](CC#CC[N@@H+]2CC[C@@H](C(F)F)C2)C1 ZINC000671242498 540025159 /nfs/dbraw/zinc/02/51/59/540025159.db2.gz DLFITQXATVUPRG-VXGBXAGGSA-N 2 1 292.320 2.164 20 30 CEEDMP C[N@@H+](CCCSCC#N)CC[C@H]1CCCC[NH+]1C ZINC000080629383 363675801 /nfs/dbraw/zinc/67/58/01/363675801.db2.gz LJDDMAYNIZSVOG-CQSZACIVSA-N 2 1 269.458 2.439 20 30 CEEDMP C[NH+](CCCSCC#N)CC[C@H]1CCCC[N@@H+]1C ZINC000080629383 363675803 /nfs/dbraw/zinc/67/58/03/363675803.db2.gz LJDDMAYNIZSVOG-CQSZACIVSA-N 2 1 269.458 2.439 20 30 CEEDMP C[NH+](CCCSCC#N)CC[C@H]1CCCC[N@H+]1C ZINC000080629383 363675805 /nfs/dbraw/zinc/67/58/05/363675805.db2.gz LJDDMAYNIZSVOG-CQSZACIVSA-N 2 1 269.458 2.439 20 30 CEEDMP N#Cc1ccc(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])cc1F ZINC000335024223 364367289 /nfs/dbraw/zinc/36/72/89/364367289.db2.gz AUXIVEOEWMJYLA-HUUCEWRRSA-N 2 1 261.344 2.447 20 30 CEEDMP C=C(C)C[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000104087631 364676162 /nfs/dbraw/zinc/67/61/62/364676162.db2.gz WNDVBUKHRIJXCH-UHFFFAOYSA-N 2 1 287.451 2.312 20 30 CEEDMP N#Cc1cccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000335538374 212235921 /nfs/dbraw/zinc/23/59/21/212235921.db2.gz KMSZIWWLVCBACR-INIZCTEOSA-N 2 1 255.365 2.134 20 30 CEEDMP N#Cc1cccc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000335538374 212235924 /nfs/dbraw/zinc/23/59/24/212235924.db2.gz KMSZIWWLVCBACR-INIZCTEOSA-N 2 1 255.365 2.134 20 30 CEEDMP C=CCc1cc(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)cc(OC)c1O ZINC000346636921 368745486 /nfs/dbraw/zinc/74/54/86/368745486.db2.gz IFOPCEMGQOEHHA-WFASDCNBSA-N 2 1 290.407 2.298 20 30 CEEDMP C=CCOCCC[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000348061339 368880532 /nfs/dbraw/zinc/88/05/32/368880532.db2.gz YIKDTBQJDRIUBK-OAHLLOKOSA-N 2 1 254.418 2.385 20 30 CEEDMP C=CCOCCC[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000348061339 368880538 /nfs/dbraw/zinc/88/05/38/368880538.db2.gz YIKDTBQJDRIUBK-OAHLLOKOSA-N 2 1 254.418 2.385 20 30 CEEDMP C=CCOCCC[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000348061339 368880546 /nfs/dbraw/zinc/88/05/46/368880546.db2.gz YIKDTBQJDRIUBK-OAHLLOKOSA-N 2 1 254.418 2.385 20 30 CEEDMP COc1cc(C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)ccc1C#N ZINC000234975657 370552420 /nfs/dbraw/zinc/55/24/20/370552420.db2.gz OLJXFEXQFUOCTO-IUODEOHRSA-N 2 1 273.380 2.126 20 30 CEEDMP COc1cc(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)ccc1C#N ZINC000234975657 370552423 /nfs/dbraw/zinc/55/24/23/370552423.db2.gz OLJXFEXQFUOCTO-IUODEOHRSA-N 2 1 273.380 2.126 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+]CCC2CCOCC2)CC1 ZINC000638525509 370591909 /nfs/dbraw/zinc/59/19/09/370591909.db2.gz YPAYLHVBHTXSGJ-UHFFFAOYSA-N 2 1 266.429 2.433 20 30 CEEDMP CCCCNC(=[NH2+])NCCC[N@H+]1CCc2ccccc2C1 ZINC000264079677 371965104 /nfs/dbraw/zinc/96/51/04/371965104.db2.gz GVKBVISGLCNARX-UHFFFAOYSA-N 2 1 288.439 2.139 20 30 CEEDMP CC(C)OCC[NH+]1CCC([NH2+][C@H]2CC[C@@H](C#N)C2)CC1 ZINC000442781318 377994495 /nfs/dbraw/zinc/99/44/95/377994495.db2.gz IKHZLYBADFAFOC-ZBFHGGJFSA-N 2 1 279.428 2.158 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(OC)c(OC)c1 ZINC000294923019 378029479 /nfs/dbraw/zinc/02/94/79/378029479.db2.gz GYWMVZIURGUXFR-AWEZNQCLSA-N 2 1 290.407 2.310 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(OC)c(OC)c1 ZINC000294923019 378029483 /nfs/dbraw/zinc/02/94/83/378029483.db2.gz GYWMVZIURGUXFR-AWEZNQCLSA-N 2 1 290.407 2.310 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1cccc(OC)c1 ZINC000294996795 378033957 /nfs/dbraw/zinc/03/39/57/378033957.db2.gz LTJZRDQBZMGUDD-AWEZNQCLSA-N 2 1 260.381 2.301 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1cccc(OC)c1 ZINC000294996795 378033961 /nfs/dbraw/zinc/03/39/61/378033961.db2.gz LTJZRDQBZMGUDD-AWEZNQCLSA-N 2 1 260.381 2.301 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000294999700 378034774 /nfs/dbraw/zinc/03/47/74/378034774.db2.gz LYQJUMZYGQKYRY-HNNXBMFYSA-N 2 1 285.391 2.195 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000294999700 378034778 /nfs/dbraw/zinc/03/47/78/378034778.db2.gz LYQJUMZYGQKYRY-HNNXBMFYSA-N 2 1 285.391 2.195 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000294855960 378024017 /nfs/dbraw/zinc/02/40/17/378024017.db2.gz BRCUGDHTQBKQQT-OAHLLOKOSA-N 2 1 273.424 2.358 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000294855960 378024021 /nfs/dbraw/zinc/02/40/21/378024021.db2.gz BRCUGDHTQBKQQT-OAHLLOKOSA-N 2 1 273.424 2.358 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000294871894 378024817 /nfs/dbraw/zinc/02/48/17/378024817.db2.gz CTFMQKTUWAAVFQ-INIZCTEOSA-N 2 1 260.356 2.358 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000294871894 378024825 /nfs/dbraw/zinc/02/48/25/378024825.db2.gz CTFMQKTUWAAVFQ-INIZCTEOSA-N 2 1 260.356 2.358 20 30 CEEDMP COc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)ccc1C#N ZINC000300198756 379154080 /nfs/dbraw/zinc/15/40/80/379154080.db2.gz PXOPYHDWFBSOEN-IUODEOHRSA-N 2 1 273.380 2.139 20 30 CEEDMP COc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)ccc1C#N ZINC000300198756 379154085 /nfs/dbraw/zinc/15/40/85/379154085.db2.gz PXOPYHDWFBSOEN-IUODEOHRSA-N 2 1 273.380 2.139 20 30 CEEDMP C=CCC[C@H](O)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000305071070 379619684 /nfs/dbraw/zinc/61/96/84/379619684.db2.gz JIZTUTPSRVQBLL-HOTGVXAUSA-N 2 1 266.429 2.121 20 30 CEEDMP C=C(C)C[NH+]1CCC(OCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000358868042 394730533 /nfs/dbraw/zinc/73/05/33/394730533.db2.gz YIYPIFGIULEDLS-HOTGVXAUSA-N 2 1 296.455 2.153 20 30 CEEDMP CCN(CC)C(=[NH2+])NC[C@@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000104191345 394719369 /nfs/dbraw/zinc/71/93/69/394719369.db2.gz OHRNRIOQHBHKSW-AWEZNQCLSA-N 2 1 292.427 2.381 20 30 CEEDMP C[N@@H+](CCCn1ccnc1)Cc1ccc(OCC#N)cc1 ZINC000271743030 394763316 /nfs/dbraw/zinc/76/33/16/394763316.db2.gz WTVBGFCJXDUHJQ-UHFFFAOYSA-N 2 1 284.363 2.308 20 30 CEEDMP C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1C[NH+](CC)CC ZINC000360957410 394811653 /nfs/dbraw/zinc/81/16/53/394811653.db2.gz MHSGNAQYNWYNIO-HRCADAONSA-N 2 1 295.471 2.167 20 30 CEEDMP C=CCOCC[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000339060703 394940757 /nfs/dbraw/zinc/94/07/57/394940757.db2.gz WFTPKBCGMXMHFL-UHFFFAOYSA-N 2 1 289.423 2.432 20 30 CEEDMP C[C@@H]1C[N@H+](CC2CC[NH+](CCCC#N)CC2)C[C@H](C)O1 ZINC000373981384 395069126 /nfs/dbraw/zinc/06/91/26/395069126.db2.gz OWTSAEROYGWEHV-GASCZTMLSA-N 2 1 279.428 2.111 20 30 CEEDMP C=CCOc1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000346840161 395109124 /nfs/dbraw/zinc/10/91/24/395109124.db2.gz ZSWXORRRHAXNKF-UAGQMJEPSA-N 2 1 272.392 2.421 20 30 CEEDMP C=CCOc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000346840160 395109591 /nfs/dbraw/zinc/10/95/91/395109591.db2.gz ZSWXORRRHAXNKF-BHYGNILZSA-N 2 1 272.392 2.421 20 30 CEEDMP C#Cc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000290630679 395110802 /nfs/dbraw/zinc/11/08/02/395110802.db2.gz XWZSKQGAWHBFQU-WMLDXEAASA-N 2 1 256.393 2.440 20 30 CEEDMP C#Cc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000290630679 395110808 /nfs/dbraw/zinc/11/08/08/395110808.db2.gz XWZSKQGAWHBFQU-WMLDXEAASA-N 2 1 256.393 2.440 20 30 CEEDMP C#Cc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)cc1 ZINC000290630679 395110813 /nfs/dbraw/zinc/11/08/13/395110813.db2.gz XWZSKQGAWHBFQU-WMLDXEAASA-N 2 1 256.393 2.440 20 30 CEEDMP C#Cc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)cc1 ZINC000290630679 395110818 /nfs/dbraw/zinc/11/08/18/395110818.db2.gz XWZSKQGAWHBFQU-WMLDXEAASA-N 2 1 256.393 2.440 20 30 CEEDMP C=CC[C@@H]1CC[C@H]([NH2+]C2(CCO)CC[NH+](C)CC2)C1 ZINC000655788414 415470625 /nfs/dbraw/zinc/47/06/25/415470625.db2.gz IQMVCAFOXRMUKK-CABCVRRESA-N 2 1 266.429 2.168 20 30 CEEDMP C=CC[N@@H+](Cc1ccccc1F)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662253746 415716665 /nfs/dbraw/zinc/71/66/65/415716665.db2.gz WCAUQMOVBZKLSK-HNNXBMFYSA-N 2 1 290.382 2.335 20 30 CEEDMP C=CC[N@H+](Cc1ccccc1F)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662253746 415716669 /nfs/dbraw/zinc/71/66/69/415716669.db2.gz WCAUQMOVBZKLSK-HNNXBMFYSA-N 2 1 290.382 2.335 20 30 CEEDMP C=CCCCCC[N@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662253987 415721578 /nfs/dbraw/zinc/72/15/78/415721578.db2.gz DFAKAAXHQQGXTG-AWEZNQCLSA-N 2 1 252.402 2.186 20 30 CEEDMP C[C@H]1C[C@H]([NH+](C)CCCSCC#N)CC[N@@H+]1C ZINC000174173127 261180784 /nfs/dbraw/zinc/18/07/84/261180784.db2.gz IAXSPNHCUNSXDR-QWHCGFSZSA-N 2 1 255.431 2.048 20 30 CEEDMP C[C@H]1C[C@H]([NH+](C)CCCSCC#N)CC[N@H+]1C ZINC000174173127 261180785 /nfs/dbraw/zinc/18/07/85/261180785.db2.gz IAXSPNHCUNSXDR-QWHCGFSZSA-N 2 1 255.431 2.048 20 30 CEEDMP C[C@H]1C[C@H]([N@H+](C)CCCSCC#N)CC[NH+]1C ZINC000174173127 261180786 /nfs/dbraw/zinc/18/07/86/261180786.db2.gz IAXSPNHCUNSXDR-QWHCGFSZSA-N 2 1 255.431 2.048 20 30 CEEDMP C[C@H]1C[C@H]([N@@H+](C)CCCSCC#N)CC[NH+]1C ZINC000174173127 261180787 /nfs/dbraw/zinc/18/07/87/261180787.db2.gz IAXSPNHCUNSXDR-QWHCGFSZSA-N 2 1 255.431 2.048 20 30 CEEDMP CN1CCN(c2ccc(N[C@H]3CCC[C@H](C#N)C3)nc2)CC1 ZINC000185790572 262071657 /nfs/dbraw/zinc/07/16/57/262071657.db2.gz VEZSAJOTMAMSJJ-GJZGRUSLSA-N 2 1 299.422 2.328 20 30 CEEDMP CN(C(=[NH2+])NC[C@H]1CCC[N@H+]1Cc1ccccc1)C1CC1 ZINC000273347804 263015732 /nfs/dbraw/zinc/01/57/32/263015732.db2.gz PBOYWUYVWBPYBO-MRXNPFEDSA-N 2 1 286.423 2.060 20 30 CEEDMP COc1cc(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])ccc1C#N ZINC000423128679 270845210 /nfs/dbraw/zinc/84/52/10/270845210.db2.gz WETNABZCVDGJIT-CABCVRRESA-N 2 1 273.380 2.316 20 30 CEEDMP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000580312090 322309867 /nfs/dbraw/zinc/30/98/67/322309867.db2.gz JSPLGDHJQNHVOZ-AEFFLSMTSA-N 2 1 299.418 2.294 20 30 CEEDMP CC[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)N1CC[C@H](CC(C)C)C1 ZINC000175562292 329169663 /nfs/dbraw/zinc/16/96/63/329169663.db2.gz GHGFDAYLVLEDJW-CVEARBPZSA-N 2 1 294.487 2.272 20 30 CEEDMP CC(C)NC(=[NH2+])NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000262188248 330001492 /nfs/dbraw/zinc/00/14/92/330001492.db2.gz CBGKHIKGVFMHCY-GFCCVEGCSA-N 2 1 280.441 2.198 20 30 CEEDMP CN1CCC[NH+]=C1NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000263116057 330044320 /nfs/dbraw/zinc/04/43/20/330044320.db2.gz LNPMAYGSCBMLSB-HNNXBMFYSA-N 2 1 278.444 2.065 20 30 CEEDMP C[C@H](C[NH3+])[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000423342194 330192035 /nfs/dbraw/zinc/19/20/35/330192035.db2.gz YLMXWEIJJOJDFD-IUDNXUCKSA-N 2 1 257.381 2.327 20 30 CEEDMP N#C[C@@H]1CC[C@@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)C1 ZINC000442825256 330785652 /nfs/dbraw/zinc/78/56/52/330785652.db2.gz HGNOEKBNYTWKRT-HZPDHXFCSA-N 2 1 291.439 2.303 20 30 CEEDMP C=C(C)C[NH+]1CCC(N[C@@H]2CC[N@H+](CC)C[C@@H]2C)CC1 ZINC000247950150 334292160 /nfs/dbraw/zinc/29/21/60/334292160.db2.gz DYZCVTCSYVRBNC-DOTOQJQBSA-N 2 1 279.472 2.347 20 30 CEEDMP C=CCCCC[N@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000581172663 336018979 /nfs/dbraw/zinc/01/89/79/336018979.db2.gz KSHVCAKJVUTOQT-MRXNPFEDSA-N 2 1 266.429 2.387 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)Cc1ccc(OC)cc1 ZINC000380841467 336036334 /nfs/dbraw/zinc/03/63/34/336036334.db2.gz ORFKKFWEQPCXFY-HNNXBMFYSA-N 2 1 274.408 2.171 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)Cc1ccc(OC)cc1 ZINC000380841467 336036336 /nfs/dbraw/zinc/03/63/36/336036336.db2.gz ORFKKFWEQPCXFY-HNNXBMFYSA-N 2 1 274.408 2.171 20 30 CEEDMP C=C(C)C[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC000968780164 613306118 /nfs/dbraw/zinc/30/61/18/613306118.db2.gz AAAQCDWTDLOVLK-CVEARBPZSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)C[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC000968780164 613306120 /nfs/dbraw/zinc/30/61/20/613306120.db2.gz AAAQCDWTDLOVLK-CVEARBPZSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)C[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001024513079 625592521 /nfs/dbraw/zinc/59/25/21/625592521.db2.gz NCYIFNQDUFDMJZ-HOTGVXAUSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)C[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001024513079 625592529 /nfs/dbraw/zinc/59/25/29/625592529.db2.gz NCYIFNQDUFDMJZ-HOTGVXAUSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001024513079 625592537 /nfs/dbraw/zinc/59/25/37/625592537.db2.gz NCYIFNQDUFDMJZ-HOTGVXAUSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001024513079 625592543 /nfs/dbraw/zinc/59/25/43/625592543.db2.gz NCYIFNQDUFDMJZ-HOTGVXAUSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001022201181 623833489 /nfs/dbraw/zinc/83/34/89/623833489.db2.gz GDJDZSSHYDXGAB-XHSDSOJGSA-N 2 1 293.455 2.062 20 30 CEEDMP C=CC[C@@H]1CC[NH+]1CCOCC[N@@H+]1CC[C@@H]1CC=C ZINC000934462564 624509930 /nfs/dbraw/zinc/50/99/30/624509930.db2.gz XVBXVHVOKJFGRX-IYBDPMFKSA-N 2 1 264.413 2.304 20 30 CEEDMP C=CC[C@@H]1CC[N@H+]1CCOCC[NH+]1CC[C@@H]1CC=C ZINC000934462564 624509933 /nfs/dbraw/zinc/50/99/33/624509933.db2.gz XVBXVHVOKJFGRX-IYBDPMFKSA-N 2 1 264.413 2.304 20 30 CEEDMP C=CC[C@@H]1CC[N@@H+]1CCOCC[NH+]1CC[C@@H]1CC=C ZINC000934462564 624509940 /nfs/dbraw/zinc/50/99/40/624509940.db2.gz XVBXVHVOKJFGRX-IYBDPMFKSA-N 2 1 264.413 2.304 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@H](C)c1ccc(F)cc1 ZINC000820846102 634549003 /nfs/dbraw/zinc/54/90/03/634549003.db2.gz CLLYSBJECAOCDW-AWEZNQCLSA-N 2 1 262.372 2.474 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+]C[C@H](C)c1ccc(F)cc1 ZINC000820846102 634549006 /nfs/dbraw/zinc/54/90/06/634549006.db2.gz CLLYSBJECAOCDW-AWEZNQCLSA-N 2 1 262.372 2.474 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+]Cc1cccc2cc[nH]c21 ZINC000328054975 627767938 /nfs/dbraw/zinc/76/79/38/627767938.db2.gz AHYVLOBTWYWAFV-UHFFFAOYSA-N 2 1 255.365 2.213 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1cccc2cc[nH]c21 ZINC000328054975 627767940 /nfs/dbraw/zinc/76/79/40/627767940.db2.gz AHYVLOBTWYWAFV-UHFFFAOYSA-N 2 1 255.365 2.213 20 30 CEEDMP NC(CCc1ccccc1)=[NH+]OCC[NH+]1CCCCC1 ZINC000194388141 628505943 /nfs/dbraw/zinc/50/59/43/628505943.db2.gz SCYSMYZFMBXIRD-UHFFFAOYSA-N 2 1 275.396 2.394 20 30 CEEDMP C[C@H](CNC(=[NH2+])N1CCC[C@@H](C)C1)[N@H+]1CCCC[C@@H]1C ZINC000261972328 629406698 /nfs/dbraw/zinc/40/66/98/629406698.db2.gz DRULYSZGLHZVTI-QLFBSQMISA-N 2 1 280.460 2.296 20 30 CEEDMP CCCCCCNC(=[NH2+])NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000305042263 631106557 /nfs/dbraw/zinc/10/65/57/631106557.db2.gz WEQLPRGZHQFUHS-OAHLLOKOSA-N 2 1 282.476 2.449 20 30 CEEDMP CCCC[N@@H+](C)CC1CC[NH+](CCO[C@H](C)C#N)CC1 ZINC000801913377 631351632 /nfs/dbraw/zinc/35/16/32/631351632.db2.gz UNRFOJXLRMSIKG-OAHLLOKOSA-N 2 1 281.444 2.359 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1c2ccccc2C[C@H]1C ZINC000815652902 633044085 /nfs/dbraw/zinc/04/40/85/633044085.db2.gz ZSVGJCFWTHTVIK-PBHICJAKSA-N 2 1 256.393 2.465 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1c2ccccc2C[C@H]1C ZINC000815652902 633044086 /nfs/dbraw/zinc/04/40/86/633044086.db2.gz ZSVGJCFWTHTVIK-PBHICJAKSA-N 2 1 256.393 2.465 20 30 CEEDMP C=C(CC[NH+](C)C)C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000900340374 633660079 /nfs/dbraw/zinc/66/00/79/633660079.db2.gz XYUZMOVNYGKKHL-AWEZNQCLSA-N 2 1 295.471 2.121 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](O)c2ccc(F)cc2)CC1 ZINC000819024252 634044368 /nfs/dbraw/zinc/04/43/68/634044368.db2.gz MWMFKMKJJZPLSO-KRWDZBQOSA-N 2 1 292.398 2.489 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](CC(C)C)C1CCOCC1 ZINC000902999669 634932283 /nfs/dbraw/zinc/93/22/83/634932283.db2.gz DHXZLXMTTRQPEG-QGZVFWFLSA-N 2 1 280.456 2.372 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@H](CC(C)C)C1CCOCC1 ZINC000902999669 634932284 /nfs/dbraw/zinc/93/22/84/634932284.db2.gz DHXZLXMTTRQPEG-QGZVFWFLSA-N 2 1 280.456 2.372 20 30 CEEDMP C[C@](C[NH3+])([NH2+]Cc1cc(Cl)cc(C#N)c1)C1CC1 ZINC000903427137 635112643 /nfs/dbraw/zinc/11/26/43/635112643.db2.gz TXLCZJWJSORCKF-CQSZACIVSA-N 2 1 263.772 2.429 20 30 CEEDMP Cc1cc(C#N)cc(C)c1C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000903425279 635112899 /nfs/dbraw/zinc/11/28/99/635112899.db2.gz ZDYFRJDPDTVKBO-BBRMVZONSA-N 2 1 257.381 2.344 20 30 CEEDMP N#CC1CCC(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)CC1 ZINC000903447083 635133199 /nfs/dbraw/zinc/13/31/99/635133199.db2.gz CZNIDVVYGZSKTK-NEADZQPHSA-N 2 1 261.413 2.376 20 30 CEEDMP C=CCCCCC[N@H+](C)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903734579 635250950 /nfs/dbraw/zinc/25/09/50/635250950.db2.gz SAKBRTMTGCEWHM-JKSUJKDBSA-N 2 1 266.429 2.433 20 30 CEEDMP N#Cc1ccc([C@@H]2C[N@@H+](C[C@H]3CC[C@@H]([NH3+])C3)CCO2)cc1 ZINC000903823410 635291327 /nfs/dbraw/zinc/29/13/27/635291327.db2.gz GPQSQMVKNOJHKK-UAGQMJEPSA-N 2 1 285.391 2.059 20 30 CEEDMP C#Cc1cccc(C[NH2+][C@H]2CC[N@H+](CC)C[C@@H]2C)c1 ZINC000825226733 635594973 /nfs/dbraw/zinc/59/49/73/635594973.db2.gz LHRCTUQTWARXRZ-YOEHRIQHSA-N 2 1 256.393 2.488 20 30 CEEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001015795938 641119432 /nfs/dbraw/zinc/11/94/32/641119432.db2.gz UBMYCLXTKFHLEQ-JKSUJKDBSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001015795936 641119619 /nfs/dbraw/zinc/11/96/19/641119619.db2.gz UBMYCLXTKFHLEQ-HZPDHXFCSA-N 2 1 293.455 2.018 20 30 CEEDMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC2=[NH+]CCCN2C)C1 ZINC000848989941 642211315 /nfs/dbraw/zinc/21/13/15/642211315.db2.gz MVPGIWUVDOXCSL-GASCZTMLSA-N 2 1 280.460 2.026 20 30 CEEDMP CCCCCCCC[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000109192494 642631747 /nfs/dbraw/zinc/63/17/47/642631747.db2.gz OMKZAXDLSZGEQJ-OAHLLOKOSA-N 2 1 283.460 2.134 20 30 CEEDMP N#Cc1ccc([C@H](O)C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000923364330 643679691 /nfs/dbraw/zinc/67/96/91/643679691.db2.gz MEXHCWDJRRGAOQ-OKZBNKHCSA-N 2 1 299.418 2.056 20 30 CEEDMP C=CCC[C@H](O)C[N@@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000923386724 643692516 /nfs/dbraw/zinc/69/25/16/643692516.db2.gz APYUKZSSMLQNBK-QLFBSQMISA-N 2 1 254.418 2.153 20 30 CEEDMP C#CCCCCC[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000878287762 651054534 /nfs/dbraw/zinc/05/45/34/651054534.db2.gz IOCQDGMVDLMRCO-IXDOHACOSA-N 2 1 278.440 2.364 20 30 CEEDMP CCCCCCC[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000766144104 645852936 /nfs/dbraw/zinc/85/29/36/645852936.db2.gz VFBUWVFCIZTOHI-MRXNPFEDSA-N 2 1 295.471 2.195 20 30 CEEDMP CCCCCCC[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000766144104 645852939 /nfs/dbraw/zinc/85/29/39/645852939.db2.gz VFBUWVFCIZTOHI-MRXNPFEDSA-N 2 1 295.471 2.195 20 30 CEEDMP C[N@@H+](CCc1cccc(C#N)c1)C[C@]1(C)CC[NH2+]C1 ZINC000873218918 649594549 /nfs/dbraw/zinc/59/45/49/649594549.db2.gz BVVPBEJNNNATEW-MRXNPFEDSA-N 2 1 257.381 2.032 20 30 CEEDMP C[C@@H]([NH2+][C@H]1Cc2ccc(C#N)cc2C1)[C@H]1CCCC[NH2+]1 ZINC000873275837 649621562 /nfs/dbraw/zinc/62/15/62/649621562.db2.gz ONVXFMDPAJNDSP-OAUYIBNBSA-N 2 1 269.392 2.146 20 30 CEEDMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc(CC#N)cc3)CC[C@@H]21 ZINC000879581788 651327154 /nfs/dbraw/zinc/32/71/54/651327154.db2.gz ODYQMHVJXVTWMK-SJORKVTESA-N 2 1 269.392 2.279 20 30 CEEDMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(CC#N)cc3)CC[C@@H]21 ZINC000879581788 651327157 /nfs/dbraw/zinc/32/71/57/651327157.db2.gz ODYQMHVJXVTWMK-SJORKVTESA-N 2 1 269.392 2.279 20 30 CEEDMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(CC#N)cc3)CC[C@@H]21 ZINC000879581788 651327158 /nfs/dbraw/zinc/32/71/58/651327158.db2.gz ODYQMHVJXVTWMK-SJORKVTESA-N 2 1 269.392 2.279 20 30 CEEDMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(CC#N)cc3)CC[C@@H]21 ZINC000879581788 651327159 /nfs/dbraw/zinc/32/71/59/651327159.db2.gz ODYQMHVJXVTWMK-SJORKVTESA-N 2 1 269.392 2.279 20 30 CEEDMP C=CCC[C@H]([NH2+]C[C@@H]1CC[N@H+](CC)C1)[C@H]1CCCO1 ZINC000883173161 652389004 /nfs/dbraw/zinc/38/90/04/652389004.db2.gz DMAGRUIOSKIPFI-HRCADAONSA-N 2 1 266.429 2.432 20 30 CEEDMP C=CC[NH2+][C@@H]1CCCCCN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001088381784 806174227 /nfs/dbraw/zinc/17/42/27/806174227.db2.gz MMAXMKNJSOHNRF-JKSUJKDBSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@H]1C ZINC001088567273 806437688 /nfs/dbraw/zinc/43/76/88/806437688.db2.gz DNBUFOWJULAREQ-CABCVRRESA-N 2 1 293.455 2.016 20 30 CEEDMP C=CCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001266551842 802708190 /nfs/dbraw/zinc/70/81/90/802708190.db2.gz AUWOEGQMWSSJRO-JKSUJKDBSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CCC[N@H+]1CCC[C@@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001028003723 804389922 /nfs/dbraw/zinc/38/99/22/804389922.db2.gz RLMIMEJCTLRYPI-OAHLLOKOSA-N 2 1 298.390 2.105 20 30 CEEDMP N#C[C@H]1CCC[N@H+](C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168387700 807045220 /nfs/dbraw/zinc/04/52/20/807045220.db2.gz QJQOMLRIKMTZIY-AWEZNQCLSA-N 2 1 261.413 2.486 20 30 CEEDMP C=CCC[NH2+]CC[C@@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001269799042 805255848 /nfs/dbraw/zinc/25/58/48/805255848.db2.gz QESKLURWMFIMCH-INIZCTEOSA-N 2 1 295.471 2.121 20 30 CEEDMP C[NH+]1C(C)(C)CC([NH+]2CCN(CCC#N)CC2)CC1(C)C ZINC001171636465 815214425 /nfs/dbraw/zinc/21/44/25/815214425.db2.gz FEXWMPWJLBLCJC-UHFFFAOYSA-N 2 1 292.471 2.169 20 30 CEEDMP C=CCCCCC[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001128784506 809463097 /nfs/dbraw/zinc/46/30/97/809463097.db2.gz NOAPIURDWPIITR-MRXNPFEDSA-N 2 1 295.471 2.313 20 30 CEEDMP N#Cc1ccc(CCC[N@@H+]2CC[C@H](N)[C@@H](F)CC2)cc1 ZINC001206157136 815298946 /nfs/dbraw/zinc/29/89/46/815298946.db2.gz WGMKMIUCSUOVHB-HOTGVXAUSA-N 2 1 275.371 2.252 20 30 CEEDMP N#Cc1ccc(CCC[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)cc1 ZINC001206157136 815298951 /nfs/dbraw/zinc/29/89/51/815298951.db2.gz WGMKMIUCSUOVHB-HOTGVXAUSA-N 2 1 275.371 2.252 20 30 CEEDMP N#Cc1ccc(CCC[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)cc1 ZINC001206157136 815298957 /nfs/dbraw/zinc/29/89/57/815298957.db2.gz WGMKMIUCSUOVHB-HOTGVXAUSA-N 2 1 275.371 2.252 20 30 CEEDMP C=C(C)C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCCN2C)C1 ZINC001034272584 809568931 /nfs/dbraw/zinc/56/89/31/809568931.db2.gz VWEDORXVIMRDOA-CVEARBPZSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)C[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001034272584 809568934 /nfs/dbraw/zinc/56/89/34/809568934.db2.gz VWEDORXVIMRDOA-CVEARBPZSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)C[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001034272584 809568940 /nfs/dbraw/zinc/56/89/40/809568940.db2.gz VWEDORXVIMRDOA-CVEARBPZSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001034272584 809568945 /nfs/dbraw/zinc/56/89/45/809568945.db2.gz VWEDORXVIMRDOA-CVEARBPZSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001034272584 809568950 /nfs/dbraw/zinc/56/89/50/809568950.db2.gz VWEDORXVIMRDOA-CVEARBPZSA-N 2 1 293.455 2.018 20 30 CEEDMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccc(C#N)nc1)C2 ZINC001172112166 815301147 /nfs/dbraw/zinc/30/11/47/815301147.db2.gz SXFQJBVIAHJQKZ-MUJYYYPQSA-N 2 1 270.380 2.058 20 30 CEEDMP C=CCC[C@@H](C)[NH+]1CCC(NC(=O)CC[N@H+](C)CC)CC1 ZINC001229895481 809683627 /nfs/dbraw/zinc/68/36/27/809683627.db2.gz KTEZSTVZEREVIG-OAHLLOKOSA-N 2 1 295.471 2.264 20 30 CEEDMP C=C(C)CC[NH+]1CC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001039051689 810975557 /nfs/dbraw/zinc/97/55/57/810975557.db2.gz XTHCXZPZQGLPDK-JKSUJKDBSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001039051689 810975564 /nfs/dbraw/zinc/97/55/64/810975564.db2.gz XTHCXZPZQGLPDK-JKSUJKDBSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001039051689 810975566 /nfs/dbraw/zinc/97/55/66/810975566.db2.gz XTHCXZPZQGLPDK-JKSUJKDBSA-N 2 1 293.455 2.018 20 30 CEEDMP C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)CCC[C@@H]1C[NH3+] ZINC001205996386 811344243 /nfs/dbraw/zinc/34/42/43/811344243.db2.gz WQUQPRLCXYXEBZ-XJKSGUPXSA-N 2 1 257.381 2.365 20 30 CEEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)[C@@H](C)C1 ZINC001044630715 811516706 /nfs/dbraw/zinc/51/67/06/811516706.db2.gz YHFALZOKJZGSCC-LSDHHAIUSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CC[NH+]1CCC(C)(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001045437882 811612448 /nfs/dbraw/zinc/61/24/48/811612448.db2.gz HGRULIOYIPAIEJ-HNNXBMFYSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001169797298 811664435 /nfs/dbraw/zinc/66/44/35/811664435.db2.gz CZGZLIQQVCPUQI-HZPDHXFCSA-N 2 1 295.471 2.311 20 30 CEEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)CC[C@@H]1C ZINC001132519069 812872923 /nfs/dbraw/zinc/87/29/23/812872923.db2.gz SEPKCGCKPLLEQH-HOTGVXAUSA-N 2 1 295.471 2.262 20 30 CEEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)CC[C@@H]1C ZINC001132519069 812872931 /nfs/dbraw/zinc/87/29/31/812872931.db2.gz SEPKCGCKPLLEQH-HOTGVXAUSA-N 2 1 295.471 2.262 20 30 CEEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)CC[C@@H]1C ZINC001132519069 812872939 /nfs/dbraw/zinc/87/29/39/812872939.db2.gz SEPKCGCKPLLEQH-HOTGVXAUSA-N 2 1 295.471 2.262 20 30 CEEDMP C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001134762995 813322108 /nfs/dbraw/zinc/32/21/08/813322108.db2.gz JWEUXNDZHALQTC-HZPDHXFCSA-N 2 1 295.471 2.310 20 30 CEEDMP C=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001135583639 813469271 /nfs/dbraw/zinc/46/92/71/813469271.db2.gz BTOLXMPXLKTOMS-ZIAGYGMSSA-N 2 1 292.427 2.065 20 30 CEEDMP C=CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@H+](C)C(C)C ZINC001099353922 813999976 /nfs/dbraw/zinc/99/99/76/813999976.db2.gz IRCVJVPWUKXZIQ-HNNXBMFYSA-N 2 1 295.471 2.119 20 30 CEEDMP C=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001099353922 813999982 /nfs/dbraw/zinc/99/99/82/813999982.db2.gz IRCVJVPWUKXZIQ-HNNXBMFYSA-N 2 1 295.471 2.119 20 30 CEEDMP C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001099353922 813999989 /nfs/dbraw/zinc/99/99/89/813999989.db2.gz IRCVJVPWUKXZIQ-HNNXBMFYSA-N 2 1 295.471 2.119 20 30 CEEDMP C[C@@H]1C[C@@H]([N@@H+]2CCc3cc(C#N)ccc3C2)CC[NH2+]1 ZINC001246594002 814185599 /nfs/dbraw/zinc/18/55/99/814185599.db2.gz UQOCMZYVDGXLFW-WBMJQRKESA-N 2 1 255.365 2.057 20 30 CEEDMP C[C@@H]1C[C@@H]([N@H+]2CCc3cc(C#N)ccc3C2)CC[NH2+]1 ZINC001246594002 814185603 /nfs/dbraw/zinc/18/56/03/814185603.db2.gz UQOCMZYVDGXLFW-WBMJQRKESA-N 2 1 255.365 2.057 20 30 CEEDMP CCC[N@@H+]1CC[C@@H](C[NH2+]CC#Cc2ccccc2)C1 ZINC000693009987 814615066 /nfs/dbraw/zinc/61/50/66/814615066.db2.gz IVHJIAIOMDWZHE-KRWDZBQOSA-N 2 1 256.393 2.360 20 30 CEEDMP CCC[N@H+]1CC[C@@H](C[NH2+]CC#Cc2ccccc2)C1 ZINC000693009987 814615072 /nfs/dbraw/zinc/61/50/72/814615072.db2.gz IVHJIAIOMDWZHE-KRWDZBQOSA-N 2 1 256.393 2.360 20 30 CEEDMP C[NH+]1CC2(C1)CC[NH+](Cc1cc(F)c(C#N)c(F)c1)CC2 ZINC001140757276 816347391 /nfs/dbraw/zinc/34/73/91/816347391.db2.gz XNTZQWAGMKWJAX-UHFFFAOYSA-N 2 1 291.345 2.364 20 30 CEEDMP C=CCCC[NH2+][C@H]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)[C@H]1C ZINC001179534436 816869932 /nfs/dbraw/zinc/86/99/32/816869932.db2.gz LYYXEGABLXYHCI-JYJNAYRXSA-N 2 1 293.455 2.016 20 30 CEEDMP CC[NH+]1CCC([NH2+][C@@H](C)CC2(C#N)CCOCC2)CC1 ZINC000602499878 347058710 /nfs/dbraw/zinc/05/87/10/347058710.db2.gz UUGQKPPZBKBXFG-AWEZNQCLSA-N 2 1 279.428 2.159 20 30 CEEDMP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H](C[NH3+])C1CC1 ZINC000591577485 345266065 /nfs/dbraw/zinc/26/60/65/345266065.db2.gz IMNMWAQWYIRJNH-CVEARBPZSA-N 2 1 255.365 2.263 20 30 CEEDMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598588507 346378361 /nfs/dbraw/zinc/37/83/61/346378361.db2.gz BEEMCVQUCJHIHG-INIZCTEOSA-N 2 1 295.471 2.339 20 30 CEEDMP C[N@H+]1CC[C@H]([NH2+]CCOc2ccc(C#N)cc2)CC1(C)C ZINC000598961253 346437908 /nfs/dbraw/zinc/43/79/08/346437908.db2.gz JRJCZYZWGIDZBL-HNNXBMFYSA-N 2 1 287.407 2.399 20 30 CEEDMP C[N@@H+]1CCC[C@H]2C[NH+](CCOc3ccccc3C#N)CC[C@@H]21 ZINC000129107795 365825082 /nfs/dbraw/zinc/82/50/82/365825082.db2.gz IENDDQIQQNWPAL-IRXDYDNUSA-N 2 1 299.418 2.353 20 30 CEEDMP C[N@H+]1CCC[C@H]2C[NH+](CCOc3ccccc3C#N)CC[C@@H]21 ZINC000129107795 365825085 /nfs/dbraw/zinc/82/50/85/365825085.db2.gz IENDDQIQQNWPAL-IRXDYDNUSA-N 2 1 299.418 2.353 20 30 CEEDMP C[NH+]1CCC[C@H]2C[N@H+](CCOc3ccccc3C#N)CC[C@@H]21 ZINC000129107795 365825091 /nfs/dbraw/zinc/82/50/91/365825091.db2.gz IENDDQIQQNWPAL-IRXDYDNUSA-N 2 1 299.418 2.353 20 30 CEEDMP C[NH+]1CCC[C@H]2C[N@@H+](CCOc3ccccc3C#N)CC[C@@H]21 ZINC000129107795 365825097 /nfs/dbraw/zinc/82/50/97/365825097.db2.gz IENDDQIQQNWPAL-IRXDYDNUSA-N 2 1 299.418 2.353 20 30 CEEDMP COc1ccc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)cc1C#N ZINC000602878136 347234641 /nfs/dbraw/zinc/23/46/41/347234641.db2.gz WBWNDRXRLUWEHI-UHFFFAOYSA-N 2 1 299.418 2.485 20 30 CEEDMP CC(C)(C#N)C[C@H](O)C[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000602953994 347255996 /nfs/dbraw/zinc/25/59/96/347255996.db2.gz FWQHLOLKGGDDCH-HNNXBMFYSA-N 2 1 293.455 2.237 20 30 CEEDMP N#Cc1cccc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000609599089 347646131 /nfs/dbraw/zinc/64/61/31/347646131.db2.gz LMCPEKVFPGKJKS-SFHVURJKSA-N 2 1 299.418 2.291 20 30 CEEDMP N#CCSCCC[N@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000610409890 347679598 /nfs/dbraw/zinc/67/95/98/347679598.db2.gz OSGJRAZIPSSGNL-CYBMUJFWSA-N 2 1 264.398 2.167 20 30 CEEDMP N#Cc1ccc(OCC[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000150809391 366598364 /nfs/dbraw/zinc/59/83/64/366598364.db2.gz LEFHPNFFIFJVEQ-QGZVFWFLSA-N 2 1 299.418 2.355 20 30 CEEDMP N#Cc1ccc(OCC[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000150809391 366598371 /nfs/dbraw/zinc/59/83/71/366598371.db2.gz LEFHPNFFIFJVEQ-QGZVFWFLSA-N 2 1 299.418 2.355 20 30 CEEDMP C[N@H+](CC[C@@H]1CCC[NH+]1C)Cc1ccc(C#N)cc1 ZINC000163501513 367245207 /nfs/dbraw/zinc/24/52/07/367245207.db2.gz MGSSCKHFQNRAKJ-INIZCTEOSA-N 2 1 257.381 2.474 20 30 CEEDMP C[N@@H+](CC[C@@H]1CCC[NH+]1C)Cc1ccc(C#N)cc1 ZINC000163501513 367245211 /nfs/dbraw/zinc/24/52/11/367245211.db2.gz MGSSCKHFQNRAKJ-INIZCTEOSA-N 2 1 257.381 2.474 20 30 CEEDMP C[NH+](CC[C@@H]1CCC[N@@H+]1C)Cc1ccc(C#N)cc1 ZINC000163501513 367245216 /nfs/dbraw/zinc/24/52/16/367245216.db2.gz MGSSCKHFQNRAKJ-INIZCTEOSA-N 2 1 257.381 2.474 20 30 CEEDMP C[NH+](CC[C@@H]1CCC[N@H+]1C)Cc1ccc(C#N)cc1 ZINC000163501513 367245224 /nfs/dbraw/zinc/24/52/24/367245224.db2.gz MGSSCKHFQNRAKJ-INIZCTEOSA-N 2 1 257.381 2.474 20 30 CEEDMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=[NH2+])Nc2ccccn2)C1 ZINC000170910366 367445345 /nfs/dbraw/zinc/44/53/45/367445345.db2.gz TUOGSMGWNUJSAH-CYBMUJFWSA-N 2 1 289.427 2.319 20 30 CEEDMP C=CCOCCC[NH+](C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000348049674 368874493 /nfs/dbraw/zinc/87/44/93/368874493.db2.gz JAKRZIZBIZMBMN-HUUCEWRRSA-N 2 1 254.418 2.384 20 30 CEEDMP C=CCOCCC[N@@H+](C)[C@@H]1CC[NH+](CC)[C@H](C)C1 ZINC000348049674 368874496 /nfs/dbraw/zinc/87/44/96/368874496.db2.gz JAKRZIZBIZMBMN-HUUCEWRRSA-N 2 1 254.418 2.384 20 30 CEEDMP C=CCOCCC[N@H+](C)[C@@H]1CC[NH+](CC)[C@H](C)C1 ZINC000348049674 368874499 /nfs/dbraw/zinc/87/44/99/368874499.db2.gz JAKRZIZBIZMBMN-HUUCEWRRSA-N 2 1 254.418 2.384 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](COC)C2CCOCC2)CC1 ZINC000187977805 369268039 /nfs/dbraw/zinc/26/80/39/369268039.db2.gz IUMVRQVUENYRRG-QGZVFWFLSA-N 2 1 296.455 2.058 20 30 CEEDMP C[NH+]=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N1CCc2ccccc21 ZINC000263252817 371932592 /nfs/dbraw/zinc/93/25/92/371932592.db2.gz PMWUOIXREPXSIQ-AWEZNQCLSA-N 2 1 298.434 2.109 20 30 CEEDMP [NH2+]=C(NCC[N@@H+]1CCc2ccccc2C1)Nc1ccccc1 ZINC000264098630 371969169 /nfs/dbraw/zinc/96/91/69/371969169.db2.gz NGRVITBQWWXXNR-UHFFFAOYSA-N 2 1 294.402 2.472 20 30 CEEDMP [NH2+]=C(NCC[N@H+]1CCc2ccccc2C1)Nc1ccccc1 ZINC000264098630 371969171 /nfs/dbraw/zinc/96/91/71/371969171.db2.gz NGRVITBQWWXXNR-UHFFFAOYSA-N 2 1 294.402 2.472 20 30 CEEDMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C#N)s2)[C@@H](C)C1 ZINC000344543291 217225525 /nfs/dbraw/zinc/22/55/25/217225525.db2.gz PUYPXLBCTJJBMO-SMDDNHRTSA-N 2 1 263.410 2.440 20 30 CEEDMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C#N)s2)[C@@H](C)C1 ZINC000344543291 217225527 /nfs/dbraw/zinc/22/55/27/217225527.db2.gz PUYPXLBCTJJBMO-SMDDNHRTSA-N 2 1 263.410 2.440 20 30 CEEDMP COc1cc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)ccc1C#N ZINC000397295191 375340326 /nfs/dbraw/zinc/34/03/26/375340326.db2.gz ZIVLOJUVIAXTSG-IOASZLSFSA-N 2 1 287.407 2.372 20 30 CEEDMP COc1cc(C[N@@H+](C)CCCn2ccnc2)ccc1C#N ZINC000290585407 376843738 /nfs/dbraw/zinc/84/37/38/376843738.db2.gz UXDQAVTWDJDMAG-UHFFFAOYSA-N 2 1 284.363 2.285 20 30 CEEDMP COc1ccc(CN(C)[C@H]2CC[N@H+](C)C[C@H]2C)cc1C#N ZINC000290586839 376843803 /nfs/dbraw/zinc/84/38/03/376843803.db2.gz UZVZTRBPIDQWFV-CJNGLKHVSA-N 2 1 287.407 2.339 20 30 CEEDMP COc1ccc(CN(C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc1C#N ZINC000290586839 376843805 /nfs/dbraw/zinc/84/38/05/376843805.db2.gz UZVZTRBPIDQWFV-CJNGLKHVSA-N 2 1 287.407 2.339 20 30 CEEDMP COc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)cc1C#N ZINC000290586839 376843808 /nfs/dbraw/zinc/84/38/08/376843808.db2.gz UZVZTRBPIDQWFV-CJNGLKHVSA-N 2 1 287.407 2.339 20 30 CEEDMP COc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)cc1C#N ZINC000290586839 376843811 /nfs/dbraw/zinc/84/38/11/376843811.db2.gz UZVZTRBPIDQWFV-CJNGLKHVSA-N 2 1 287.407 2.339 20 30 CEEDMP COc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)cc1C#N ZINC000290586839 376843813 /nfs/dbraw/zinc/84/38/13/376843813.db2.gz UZVZTRBPIDQWFV-CJNGLKHVSA-N 2 1 287.407 2.339 20 30 CEEDMP COc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc1C#N ZINC000290586839 376843815 /nfs/dbraw/zinc/84/38/15/376843815.db2.gz UZVZTRBPIDQWFV-CJNGLKHVSA-N 2 1 287.407 2.339 20 30 CEEDMP C[C@H]([NH2+]CCc1cccc(C#N)c1)[C@H]1CCCC[NH2+]1 ZINC000423097600 376991094 /nfs/dbraw/zinc/99/10/94/376991094.db2.gz JMHSBDWKSMXGGM-XJKSGUPXSA-N 2 1 257.381 2.221 20 30 CEEDMP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000436303705 377821846 /nfs/dbraw/zinc/82/18/46/377821846.db2.gz CIWUOEIDFIHYPG-TUVASFSCSA-N 2 1 252.402 2.040 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc2c(c1)CCO2 ZINC000295094220 378041864 /nfs/dbraw/zinc/04/18/64/378041864.db2.gz VDTLMOZVZFHBSO-CQSZACIVSA-N 2 1 272.392 2.227 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccc2c(c1)CCO2 ZINC000295094220 378041867 /nfs/dbraw/zinc/04/18/67/378041867.db2.gz VDTLMOZVZFHBSO-CQSZACIVSA-N 2 1 272.392 2.227 20 30 CEEDMP Cc1nccn1C[C@@H]1CCC[N@H+]1CC1(C#N)CCC1 ZINC000450467688 378434717 /nfs/dbraw/zinc/43/47/17/378434717.db2.gz DTRMUCBZOGZGIV-AWEZNQCLSA-N 2 1 258.369 2.350 20 30 CEEDMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cccc(C#N)c1 ZINC000237372056 131025941 /nfs/dbraw/zinc/02/59/41/131025941.db2.gz PNONPNSZHSJJJR-ZDUSSCGKSA-N 2 1 268.364 2.489 20 30 CEEDMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000421332236 394501994 /nfs/dbraw/zinc/50/19/94/394501994.db2.gz LEYYAYMOLQGYSN-UHFFFAOYSA-N 2 1 272.327 2.382 20 30 CEEDMP [NH2+]=C(NC[C@@H]1CC[N@H+](C2CC2)C1)Nc1ccc2c(c1)CCC2 ZINC000262012664 394611251 /nfs/dbraw/zinc/61/12/51/394611251.db2.gz USCRPLGORFHOBI-ZDUSSCGKSA-N 2 1 298.434 2.386 20 30 CEEDMP C[NH+]=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)NC1CC1 ZINC000262149002 394613788 /nfs/dbraw/zinc/61/37/88/394613788.db2.gz QXTNRBUHBOQROS-ZDUSSCGKSA-N 2 1 292.452 2.212 20 30 CEEDMP C[C@@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccc(C#N)c(F)c1 ZINC000423374683 394905827 /nfs/dbraw/zinc/90/58/27/394905827.db2.gz HZHZZYQPQKDERL-GYSYKLTISA-N 2 1 261.344 2.488 20 30 CEEDMP C=CCC[NH+]1CCC(OCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000338564293 394923551 /nfs/dbraw/zinc/92/35/51/394923551.db2.gz QCHMYMSHLPMLEX-HOTGVXAUSA-N 2 1 296.455 2.153 20 30 CEEDMP C=CCOc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000427100373 395092000 /nfs/dbraw/zinc/09/20/00/395092000.db2.gz KWDTXUCDPXNZKU-DOTOQJQBSA-N 2 1 272.392 2.435 20 30 CEEDMP C=CCOc1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000427100373 395092004 /nfs/dbraw/zinc/09/20/04/395092004.db2.gz KWDTXUCDPXNZKU-DOTOQJQBSA-N 2 1 272.392 2.435 20 30 CEEDMP C=C(C)C[NH+]1CCC(N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC000352901161 395274662 /nfs/dbraw/zinc/27/46/62/395274662.db2.gz LASJJNQERVQVMU-PBHICJAKSA-N 2 1 277.456 2.099 20 30 CEEDMP C=CCC1(C[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)CCCC1 ZINC000570795562 395583428 /nfs/dbraw/zinc/58/34/28/395583428.db2.gz XUAUWWYUWIEXIH-OAHLLOKOSA-N 2 1 266.429 2.168 20 30 CEEDMP C=CCC1(C[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)CCCC1 ZINC000570795562 395583431 /nfs/dbraw/zinc/58/34/31/395583431.db2.gz XUAUWWYUWIEXIH-OAHLLOKOSA-N 2 1 266.429 2.168 20 30 CEEDMP C=CCOc1cccc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](OCC)C2)c1 ZINC000650715091 401005495 /nfs/dbraw/zinc/00/54/95/401005495.db2.gz PAFZLUANRAVMQI-NVXWUHKLSA-N 2 1 290.407 2.047 20 30 CEEDMP C=CCOc1cccc(C[N@H+]2C[C@@H](C[NH3+])[C@H](OCC)C2)c1 ZINC000650715091 401005502 /nfs/dbraw/zinc/00/55/02/401005502.db2.gz PAFZLUANRAVMQI-NVXWUHKLSA-N 2 1 290.407 2.047 20 30 CEEDMP C=CC[C@H]1CC[C@H]([NH2+]C2CC[NH+](CCOC)CC2)C1 ZINC000651691446 401372406 /nfs/dbraw/zinc/37/24/06/401372406.db2.gz RLSMEXJPVNQXIH-HOCLYGCPSA-N 2 1 266.429 2.432 20 30 CEEDMP C=CCCC[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000652361783 401494020 /nfs/dbraw/zinc/49/40/20/401494020.db2.gz PGKRNSKIXSOFAE-KFWWJZLASA-N 2 1 252.402 2.313 20 30 CEEDMP C=CCOCCC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000658206100 415256968 /nfs/dbraw/zinc/25/69/68/415256968.db2.gz MIMJZKAYRCDYLR-KFWWJZLASA-N 2 1 252.402 2.042 20 30 CEEDMP CCc1cccc(NC(=[NH2+])NC[C@@H]2CC[N@H+](CC)C2)c1 ZINC000104172392 260620595 /nfs/dbraw/zinc/62/05/95/260620595.db2.gz TZVXTYPJKUYQMX-AWEZNQCLSA-N 2 1 274.412 2.317 20 30 CEEDMP C=CC[NH+](CC=C)[C@H](CNC(=[NH2+])N(C)C1CC1)C(C)C ZINC000273372226 263016242 /nfs/dbraw/zinc/01/62/42/263016242.db2.gz VZVGNFXAODWJDR-OAHLLOKOSA-N 2 1 278.444 2.094 20 30 CEEDMP CCC[N@H+]1CC[C@H](CNC(=[NH2+])Nc2cc(F)ccc2F)C1 ZINC000288780233 263105908 /nfs/dbraw/zinc/10/59/08/263105908.db2.gz WJPQGYLQXVJIDW-LLVKDONJSA-N 2 1 296.365 2.423 20 30 CEEDMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cnc3ccc(C#N)cn23)C1 ZINC000459732696 267338370 /nfs/dbraw/zinc/33/83/70/267338370.db2.gz MOHAKGYNRDJFQA-CQSZACIVSA-N 2 1 297.406 2.027 20 30 CEEDMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)c3ccc(C#N)cc3)CC[C@@H]21 ZINC000246389543 277068587 /nfs/dbraw/zinc/06/85/87/277068587.db2.gz ASMVCADYTPYNLL-FGTMMUONSA-N 2 1 299.418 2.008 20 30 CEEDMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H](O)c3ccc(C#N)cc3)CC[C@@H]21 ZINC000246389543 277068588 /nfs/dbraw/zinc/06/85/88/277068588.db2.gz ASMVCADYTPYNLL-FGTMMUONSA-N 2 1 299.418 2.008 20 30 CEEDMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H](O)c3ccc(C#N)cc3)CC[C@@H]21 ZINC000246389543 277068592 /nfs/dbraw/zinc/06/85/92/277068592.db2.gz ASMVCADYTPYNLL-FGTMMUONSA-N 2 1 299.418 2.008 20 30 CEEDMP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)c1ccc(C#N)cc1F ZINC000423406624 281031967 /nfs/dbraw/zinc/03/19/67/281031967.db2.gz UXTILZDVERVTKP-JRPNMDOOSA-N 2 1 261.344 2.346 20 30 CEEDMP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C)c1ccc(C#N)cc1F ZINC000423406627 281032019 /nfs/dbraw/zinc/03/20/19/281032019.db2.gz UXTILZDVERVTKP-ZIBATOQPSA-N 2 1 261.344 2.346 20 30 CEEDMP CC[NH+]1CCN(CCCC[NH2+][C@H]2CCC[C@H](C#N)C2)CC1 ZINC000185777328 329331576 /nfs/dbraw/zinc/33/15/76/329331576.db2.gz FPCIZMCQNYFEIM-IRXDYDNUSA-N 2 1 292.471 2.076 20 30 CEEDMP [NH2+]=C(Nc1ccc2c(c1)CCC2)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000262477339 330016426 /nfs/dbraw/zinc/01/64/26/330016426.db2.gz QGBUGPREPXVOLI-OAHLLOKOSA-N 2 1 295.390 2.113 20 30 CEEDMP C=CCC[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000132934183 334010918 /nfs/dbraw/zinc/01/09/18/334010918.db2.gz SVKIIZWYBWTSTQ-UHFFFAOYSA-N 2 1 287.451 2.312 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000328229390 627868350 /nfs/dbraw/zinc/86/83/50/627868350.db2.gz CLGJWGIIIHGPCV-UHFFFAOYSA-N 2 1 255.365 2.213 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000328229390 627868353 /nfs/dbraw/zinc/86/83/53/627868353.db2.gz CLGJWGIIIHGPCV-UHFFFAOYSA-N 2 1 255.365 2.213 20 30 CEEDMP CC[C@]1(C)CCN(C(NC[C@H](C)[N@@H+](C)C2CC2)=[NH+]C)C1 ZINC000261805228 629248527 /nfs/dbraw/zinc/24/85/27/629248527.db2.gz RXMPJEPYCIRIBZ-XJKSGUPXSA-N 2 1 280.460 2.167 20 30 CEEDMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=[NH2+])NCC2CCC2)C1 ZINC000262025805 629450415 /nfs/dbraw/zinc/45/04/15/629450415.db2.gz ZGTBTNCHBIEXHM-ZDUSSCGKSA-N 2 1 280.460 2.201 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCC[C@@H]2OC)CC1 ZINC000903093477 634974964 /nfs/dbraw/zinc/97/49/64/634974964.db2.gz ROGIELSJHVNUNC-GJZGRUSLSA-N 2 1 252.402 2.184 20 30 CEEDMP Cc1cc(C#N)cc(C)c1C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000903447305 635132812 /nfs/dbraw/zinc/13/28/12/635132812.db2.gz NUIGOJLCSTXBMJ-UKRRQHHQSA-N 2 1 257.381 2.344 20 30 CEEDMP N#C[C@@H]1CCC[N@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000903563684 635163027 /nfs/dbraw/zinc/16/30/27/635163027.db2.gz ISIASYUXPCVANZ-ZDUSSCGKSA-N 2 1 255.365 2.068 20 30 CEEDMP N#C[C@@H]1CCC[N@@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000903563684 635163030 /nfs/dbraw/zinc/16/30/30/635163030.db2.gz ISIASYUXPCVANZ-ZDUSSCGKSA-N 2 1 255.365 2.068 20 30 CEEDMP C[C@H]([NH2+]C[C@H]([NH3+])CC(F)F)c1cccc(C#N)c1 ZINC000903950639 635383410 /nfs/dbraw/zinc/38/34/10/635383410.db2.gz PKZXAUMQXLTKCV-JOYOIKCWSA-N 2 1 253.296 2.191 20 30 CEEDMP CC(C)C[NH+]=C(NC[C@@H]1CCC[N@H+]1C)NC(C)(C)C ZINC000912507816 638713120 /nfs/dbraw/zinc/71/31/20/638713120.db2.gz FLORKHAAYFSRLM-ZDUSSCGKSA-N 2 1 268.449 2.070 20 30 CEEDMP C[N@H+](CC[C@H]1CCC[NH+]1C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844366847 640694370 /nfs/dbraw/zinc/69/43/70/640694370.db2.gz OZYFBPNALSNFJN-IAGOWNOFSA-N 2 1 287.407 2.008 20 30 CEEDMP C[N@@H+](CC[C@H]1CCC[NH+]1C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844366847 640694373 /nfs/dbraw/zinc/69/43/73/640694373.db2.gz OZYFBPNALSNFJN-IAGOWNOFSA-N 2 1 287.407 2.008 20 30 CEEDMP C[NH+](CC[C@H]1CCC[N@@H+]1C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844366847 640694375 /nfs/dbraw/zinc/69/43/75/640694375.db2.gz OZYFBPNALSNFJN-IAGOWNOFSA-N 2 1 287.407 2.008 20 30 CEEDMP C[NH+](CC[C@H]1CCC[N@H+]1C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844366847 640694379 /nfs/dbraw/zinc/69/43/79/640694379.db2.gz OZYFBPNALSNFJN-IAGOWNOFSA-N 2 1 287.407 2.008 20 30 CEEDMP C#C[C@@H]1CCC[NH+]([C@H](C)CC[N@H+]2CCC[C@@H](C#C)C2)C1 ZINC000847020235 641525589 /nfs/dbraw/zinc/52/55/89/641525589.db2.gz AGTGJCVNSIAALW-KZNAEPCWSA-N 2 1 272.436 2.455 20 30 CEEDMP C#C[C@@H]1CCC[NH+](CC[C@@H](C)[N@@H+]2CCC[C@@H](C#C)C2)C1 ZINC000847020235 641525597 /nfs/dbraw/zinc/52/55/97/641525597.db2.gz AGTGJCVNSIAALW-KZNAEPCWSA-N 2 1 272.436 2.455 20 30 CEEDMP C#C[C@@H]1CCC[NH+](CC[C@@H](C)[N@H+]2CCC[C@@H](C#C)C2)C1 ZINC000847020235 641525599 /nfs/dbraw/zinc/52/55/99/641525599.db2.gz AGTGJCVNSIAALW-KZNAEPCWSA-N 2 1 272.436 2.455 20 30 CEEDMP COCC[N@@H+](C)CCC[NH2+]Cc1c(C)cc(C#N)cc1C ZINC000921524028 642189941 /nfs/dbraw/zinc/18/99/41/642189941.db2.gz KAXOTPSVIZFJIP-UHFFFAOYSA-N 2 1 289.423 2.233 20 30 CEEDMP C=C(C)CNC(=[NH2+])NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000849046362 642255702 /nfs/dbraw/zinc/25/57/02/642255702.db2.gz QUGBEDUFCNFOIR-CVEARBPZSA-N 2 1 286.423 2.022 20 30 CEEDMP C#CCOCC[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000851772650 643154358 /nfs/dbraw/zinc/15/43/58/643154358.db2.gz BWOYNGFQOOKSFV-IRXDYDNUSA-N 2 1 278.440 2.223 20 30 CEEDMP C#CCOCC[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000851772650 643154362 /nfs/dbraw/zinc/15/43/62/643154362.db2.gz BWOYNGFQOOKSFV-IRXDYDNUSA-N 2 1 278.440 2.223 20 30 CEEDMP C#CCOCC[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000851772650 643154364 /nfs/dbraw/zinc/15/43/64/643154364.db2.gz BWOYNGFQOOKSFV-IRXDYDNUSA-N 2 1 278.440 2.223 20 30 CEEDMP C#CCOCC[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000851772650 643154369 /nfs/dbraw/zinc/15/43/69/643154369.db2.gz BWOYNGFQOOKSFV-IRXDYDNUSA-N 2 1 278.440 2.223 20 30 CEEDMP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H](C[NH+](C)C)OCC)C1 ZINC000922755814 643246591 /nfs/dbraw/zinc/24/65/91/643246591.db2.gz IGXBWYVOALGGNV-RBSFLKMASA-N 2 1 254.418 2.288 20 30 CEEDMP C[N@H+]1CCCC[C@@H](CNCc2cc(C#N)cnc2Cl)C1 ZINC000877653199 650834768 /nfs/dbraw/zinc/83/47/68/650834768.db2.gz BQZZZOCIQGVIIO-LBPRGKRZSA-N 2 1 292.814 2.428 20 30 CEEDMP N#Cc1ccc(CC[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000852748241 643533023 /nfs/dbraw/zinc/53/30/23/643533023.db2.gz OCIMQJDQPUDDLG-KRWDZBQOSA-N 2 1 269.392 2.176 20 30 CEEDMP CC[N@@H+](C[C@@H](O)c1ccc(C#N)cc1)[C@H]1CCC[NH2+]CC1 ZINC000923335077 643667080 /nfs/dbraw/zinc/66/70/80/643667080.db2.gz IIHIHEDLTPKBIL-DLBZAZTESA-N 2 1 287.407 2.056 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCCc2ncccc21 ZINC000866365003 647757944 /nfs/dbraw/zinc/75/79/44/647757944.db2.gz UNOVNCLGEJZDHW-INIZCTEOSA-N 2 1 257.381 2.004 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCCc2ncccc21 ZINC000866365003 647757945 /nfs/dbraw/zinc/75/79/45/647757945.db2.gz UNOVNCLGEJZDHW-INIZCTEOSA-N 2 1 257.381 2.004 20 30 CEEDMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2Cc3ccc(C#N)cc3C2)[C@H](C)C1 ZINC000866616368 647843323 /nfs/dbraw/zinc/84/33/23/647843323.db2.gz XTTUREFFQUXNPA-XWIAVFTESA-N 2 1 283.419 2.345 20 30 CEEDMP CC[C@H]([NH2+][C@@H]1Cc2ccc(C#N)cc2C1)[C@@H]1CCC[NH2+]1 ZINC000873277056 649622585 /nfs/dbraw/zinc/62/25/85/649622585.db2.gz ZLMZIXJLLCUTRY-IKGGRYGDSA-N 2 1 269.392 2.146 20 30 CEEDMP C=CCC[C@@H]([NH2+]C1CC[NH+](CCOC)CC1)[C@H]1CCCO1 ZINC000883178268 652390899 /nfs/dbraw/zinc/39/08/99/652390899.db2.gz SQWSWJAQTPRUAD-IAGOWNOFSA-N 2 1 296.455 2.201 20 30 CEEDMP C=CCC[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)[C@@H]1CCCO1 ZINC000883209381 652401201 /nfs/dbraw/zinc/40/12/01/652401201.db2.gz BBUUXWHJVKIQPR-CVEARBPZSA-N 2 1 264.413 2.352 20 30 CEEDMP C=C(C)C[NH2+]C[C@]1(C)CCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001270829154 805579713 /nfs/dbraw/zinc/57/97/13/805579713.db2.gz JIZKKMMYIMGBTB-KRWDZBQOSA-N 2 1 295.471 2.123 20 30 CEEDMP C=CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001088336673 806134311 /nfs/dbraw/zinc/13/43/11/806134311.db2.gz JKBXXCVCRZTJON-HZPDHXFCSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCC[C@H](C)[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001267116901 803139833 /nfs/dbraw/zinc/13/98/33/803139833.db2.gz JIQJIYGQRXMYRI-JKSUJKDBSA-N 2 1 295.471 2.264 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+]C1CC(OCc2ccccc2)C1 ZINC000716270357 815108842 /nfs/dbraw/zinc/10/88/42/815108842.db2.gz RGQCVUCSRZAUTG-UHFFFAOYSA-N 2 1 286.419 2.279 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+]C1CC(OCc2ccccc2)C1 ZINC000716270357 815108843 /nfs/dbraw/zinc/10/88/43/815108843.db2.gz RGQCVUCSRZAUTG-UHFFFAOYSA-N 2 1 286.419 2.279 20 30 CEEDMP C=CC[NH2+]C1(CNC(=O)CC[N@H+](C)CCC)CCCCC1 ZINC001120041276 815191643 /nfs/dbraw/zinc/19/16/43/815191643.db2.gz LJTWQMCUCFQUOB-UHFFFAOYSA-N 2 1 295.471 2.313 20 30 CEEDMP C=C(C)C[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC000998764754 808763140 /nfs/dbraw/zinc/76/31/40/808763140.db2.gz URXCHCKIOGPSJR-UYSNPLJNSA-N 2 1 293.455 2.014 20 30 CEEDMP Cc1[nH+]c(N2C[C@H](C[NH3+])CC[C@H]2C)ccc1CC#N ZINC001164474589 810374901 /nfs/dbraw/zinc/37/49/01/810374901.db2.gz SCHZLMKXQGBDSA-YPMHNXCESA-N 2 1 258.369 2.020 20 30 CEEDMP C=C(Br)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000379656705 811140438 /nfs/dbraw/zinc/14/04/38/811140438.db2.gz LOCKDXJNOBBQPZ-UHFFFAOYSA-N 2 1 261.207 2.169 20 30 CEEDMP C=C(C)CC[NH+]1CCC(C)(NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001045385900 811604429 /nfs/dbraw/zinc/60/44/29/811604429.db2.gz AFZGYIHFNJZYTB-OAHLLOKOSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001169797297 811664305 /nfs/dbraw/zinc/66/43/05/811664305.db2.gz CZGZLIQQVCPUQI-HOTGVXAUSA-N 2 1 295.471 2.311 20 30 CEEDMP C=CCC[NH+]1CCN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)CC1 ZINC001113441470 812241338 /nfs/dbraw/zinc/24/13/38/812241338.db2.gz BKEXKUVXLJEDEP-MRXNPFEDSA-N 2 1 295.471 2.073 20 30 CEEDMP C=CCCCNc1nc(N2CCC(C[NH3+])CC2)[nH+]cc1C ZINC001170296818 812376264 /nfs/dbraw/zinc/37/62/64/812376264.db2.gz YWSIIRKVCZYINI-UHFFFAOYSA-N 2 1 289.427 2.338 20 30 CEEDMP C=C(C)C[NH+]1CCC[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001052712363 812449704 /nfs/dbraw/zinc/44/97/04/812449704.db2.gz HLXAJLJQAZVVSE-HZPDHXFCSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC001052712363 812449708 /nfs/dbraw/zinc/44/97/08/812449708.db2.gz HLXAJLJQAZVVSE-HZPDHXFCSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC001052712363 812449713 /nfs/dbraw/zinc/44/97/13/812449713.db2.gz HLXAJLJQAZVVSE-HZPDHXFCSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)C[N@H+](C)CCC)CC[C@@H]1C ZINC001132441336 812856430 /nfs/dbraw/zinc/85/64/30/812856430.db2.gz NPFZPKRIRDQMQK-HOTGVXAUSA-N 2 1 295.471 2.264 20 30 CEEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CCC)CC[C@@H]1C ZINC001132441336 812856439 /nfs/dbraw/zinc/85/64/39/812856439.db2.gz NPFZPKRIRDQMQK-HOTGVXAUSA-N 2 1 295.471 2.264 20 30 CEEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)C[NH+](C)CCC)CC[C@@H]1C ZINC001132441336 812856445 /nfs/dbraw/zinc/85/64/45/812856445.db2.gz NPFZPKRIRDQMQK-HOTGVXAUSA-N 2 1 295.471 2.264 20 30 CEEDMP CCCCCCC[NH2+]CCNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001133833806 813161574 /nfs/dbraw/zinc/16/15/74/813161574.db2.gz GRKRGRFOHGSVBS-HNNXBMFYSA-N 2 1 283.460 2.147 20 30 CEEDMP C=C(C)CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@H+](C)CCC ZINC001135979036 813577188 /nfs/dbraw/zinc/57/71/88/813577188.db2.gz BFTPWIBGTRERDW-GJZGRUSLSA-N 2 1 283.460 2.167 20 30 CEEDMP C=C(C)CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@H+](C)CCC ZINC001135979037 813578292 /nfs/dbraw/zinc/57/82/92/813578292.db2.gz BFTPWIBGTRERDW-HUUCEWRRSA-N 2 1 283.460 2.167 20 30 CEEDMP C[C@@H](Cc1cccc(C#N)c1)[NH2+]C[C@H]1CC[N@@H+](C)C1 ZINC001171179852 814060744 /nfs/dbraw/zinc/06/07/44/814060744.db2.gz XRHFXRXCZIKSBK-XJKSGUPXSA-N 2 1 257.381 2.031 20 30 CEEDMP C=CCCC[NH2+]C1CC(CNC(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001100457220 814131012 /nfs/dbraw/zinc/13/10/12/814131012.db2.gz UMLBGJHCEKXSKN-UHFFFAOYSA-N 2 1 295.471 2.167 20 30 CEEDMP C=C(C)CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001146595223 814298747 /nfs/dbraw/zinc/29/87/47/814298747.db2.gz XQZULDLBSBNQSG-LSDHHAIUSA-N 2 1 283.460 2.166 20 30 CEEDMP COc1ccc(C[N@@H+](C)CC2CC[NH+](C)CC2)c(C#N)c1 ZINC001137703309 815668427 /nfs/dbraw/zinc/66/84/27/815668427.db2.gz IZALYPLMUBHMND-UHFFFAOYSA-N 2 1 287.407 2.340 20 30 CEEDMP C=CC[NH2+]CCCC[C@H](C)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001175273415 816167576 /nfs/dbraw/zinc/16/75/76/816167576.db2.gz RLBGHYNBOUMWHF-HNNXBMFYSA-N 2 1 295.471 2.169 20 30 CEEDMP C=CCC[NH2+]CCCCCCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001179586013 816886105 /nfs/dbraw/zinc/88/61/05/816886105.db2.gz LNGZMKCYZHMPEI-INIZCTEOSA-N 2 1 295.471 2.171 20 30 CEEDMP CNC(NCc1ccccc1C[N@H+]1CCCC[C@H]1C)=[NH+]C ZINC000057887130 343640635 /nfs/dbraw/zinc/64/06/35/343640635.db2.gz BHPGLACVMYHKDE-CQSZACIVSA-N 2 1 288.439 2.356 20 30 CEEDMP C=CCCC[C@H](C)[N@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000091511076 344166440 /nfs/dbraw/zinc/16/64/40/344166440.db2.gz CNBFOZRESBRQCD-DLBZAZTESA-N 2 1 279.472 2.443 20 30 CEEDMP CC[N@H+]1CC[C@@H](N(C)Cc2cccc(C#N)n2)[C@@H](C)C1 ZINC000602474958 347048874 /nfs/dbraw/zinc/04/88/74/347048874.db2.gz JULGRQHKVHJGKB-XJKSGUPXSA-N 2 1 272.396 2.115 20 30 CEEDMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC000135688064 344382567 /nfs/dbraw/zinc/38/25/67/344382567.db2.gz YKYFUYZYCCEABG-GFCCVEGCSA-N 2 1 263.410 2.440 20 30 CEEDMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC000135688064 344382569 /nfs/dbraw/zinc/38/25/69/344382569.db2.gz YKYFUYZYCCEABG-GFCCVEGCSA-N 2 1 263.410 2.440 20 30 CEEDMP CC[N@H+]1CC[C@@H](N(C)Cc2cccc(C#N)n2)[C@H](C)C1 ZINC000602474957 347048739 /nfs/dbraw/zinc/04/87/39/347048739.db2.gz JULGRQHKVHJGKB-CZUORRHYSA-N 2 1 272.396 2.115 20 30 CEEDMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cccc(C#N)n1 ZINC000602552445 347073945 /nfs/dbraw/zinc/07/39/45/347073945.db2.gz XAJNSHGMOMUZOW-UHFFFAOYSA-N 2 1 269.352 2.028 20 30 CEEDMP N#Cc1cccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)c1 ZINC000593322862 345466563 /nfs/dbraw/zinc/46/65/63/345466563.db2.gz PFPJHJYVMJQFHB-KSZLIROESA-N 2 1 299.418 2.419 20 30 CEEDMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@H](CC#N)C2)CC1 ZINC000595619380 345830148 /nfs/dbraw/zinc/83/01/48/345830148.db2.gz ACFDDRWHIXYSNK-QGZVFWFLSA-N 2 1 292.471 2.028 20 30 CEEDMP C[C@H]1CC[N@@H+](CCc2ccc(C#N)cc2)C[C@@H]1C[NH3+] ZINC000595893514 345908877 /nfs/dbraw/zinc/90/88/77/345908877.db2.gz RXLJFEJPDNJOPO-BBRMVZONSA-N 2 1 257.381 2.017 20 30 CEEDMP N#C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)C1 ZINC000596097538 345939280 /nfs/dbraw/zinc/93/92/80/345939280.db2.gz YUKPFOAOKBETHQ-OWCLPIDISA-N 2 1 261.413 2.390 20 30 CEEDMP N#Cc1ccccc1C[N@@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000598684307 346400172 /nfs/dbraw/zinc/40/01/72/346400172.db2.gz VOVZKVNHTVCVOH-KZNAEPCWSA-N 2 1 299.418 2.419 20 30 CEEDMP C[N@H+]1CC[C@@H]([NH2+]CCOc2ccc(C#N)cc2)CC1(C)C ZINC000598961254 346437581 /nfs/dbraw/zinc/43/75/81/346437581.db2.gz JRJCZYZWGIDZBL-OAHLLOKOSA-N 2 1 287.407 2.399 20 30 CEEDMP COc1cc(CNC[C@H]2CCCC[N@@H+](C)C2)ccc1C#N ZINC000598994351 346443291 /nfs/dbraw/zinc/44/32/91/346443291.db2.gz KPEZGYMLYDJUFC-OAHLLOKOSA-N 2 1 287.407 2.388 20 30 CEEDMP COc1cc(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)ccc1C#N ZINC000598994351 346443295 /nfs/dbraw/zinc/44/32/95/346443295.db2.gz KPEZGYMLYDJUFC-OAHLLOKOSA-N 2 1 287.407 2.388 20 30 CEEDMP COc1cc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)ccc1C#N ZINC000598994351 346443298 /nfs/dbraw/zinc/44/32/98/346443298.db2.gz KPEZGYMLYDJUFC-OAHLLOKOSA-N 2 1 287.407 2.388 20 30 CEEDMP Cc1ccc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1C#N ZINC000600709726 346675029 /nfs/dbraw/zinc/67/50/29/346675029.db2.gz PYURMERDNQMBDC-INIZCTEOSA-N 2 1 255.365 2.052 20 30 CEEDMP Cc1ccc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1C#N ZINC000600709726 346675030 /nfs/dbraw/zinc/67/50/30/346675030.db2.gz PYURMERDNQMBDC-INIZCTEOSA-N 2 1 255.365 2.052 20 30 CEEDMP Cc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1C#N ZINC000600710650 346675971 /nfs/dbraw/zinc/67/59/71/346675971.db2.gz PWCCEBHRBBLAJS-CJNGLKHVSA-N 2 1 257.381 2.283 20 30 CEEDMP C[C@H](CCC#N)C[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000602633168 347114194 /nfs/dbraw/zinc/11/41/94/347114194.db2.gz LMTBBOLIJCJCSY-CABCVRRESA-N 2 1 267.417 2.017 20 30 CEEDMP C=CCC[C@@H](O)C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000130204896 365933226 /nfs/dbraw/zinc/93/32/26/365933226.db2.gz ROJBSGSQYHCMLU-JKSUJKDBSA-N 2 1 266.429 2.264 20 30 CEEDMP N#Cc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1F ZINC000404251142 233192886 /nfs/dbraw/zinc/19/28/86/233192886.db2.gz KKSVOFUXBFGMDJ-ZDUSSCGKSA-N 2 1 273.355 2.271 20 30 CEEDMP C[C@H]1C[C@H]([NH+](C)CCOc2ccc(C#N)cc2)CC[N@@H+]1C ZINC000123062309 187069251 /nfs/dbraw/zinc/06/92/51/187069251.db2.gz IKNGDGDWVSTCDZ-GOEBONIOSA-N 2 1 287.407 2.352 20 30 CEEDMP C[C@H]1C[C@H]([NH+](C)CCOc2ccc(C#N)cc2)CC[N@H+]1C ZINC000123062309 187069252 /nfs/dbraw/zinc/06/92/52/187069252.db2.gz IKNGDGDWVSTCDZ-GOEBONIOSA-N 2 1 287.407 2.352 20 30 CEEDMP C[C@H]1C[C@H]([N@H+](C)CCOc2ccc(C#N)cc2)CC[NH+]1C ZINC000123062309 187069253 /nfs/dbraw/zinc/06/92/53/187069253.db2.gz IKNGDGDWVSTCDZ-GOEBONIOSA-N 2 1 287.407 2.352 20 30 CEEDMP C[C@H]1C[C@H]([N@@H+](C)CCOc2ccc(C#N)cc2)CC[NH+]1C ZINC000123062309 187069254 /nfs/dbraw/zinc/06/92/54/187069254.db2.gz IKNGDGDWVSTCDZ-GOEBONIOSA-N 2 1 287.407 2.352 20 30 CEEDMP C#CCCOc1ccc(C[NH2+]CC2=CC[N@@H+](C)CC2)cc1 ZINC000271863201 191375243 /nfs/dbraw/zinc/37/52/43/191375243.db2.gz JCHSZPIPNYLGGS-UHFFFAOYSA-N 2 1 284.403 2.440 20 30 CEEDMP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1cccc(C#N)c1 ZINC000271864717 191375975 /nfs/dbraw/zinc/37/59/75/191375975.db2.gz LDRPFIXXURHNSD-AWEZNQCLSA-N 2 1 287.407 2.056 20 30 CEEDMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H](O)c1ccc(C#N)cc1 ZINC000179500348 189197734 /nfs/dbraw/zinc/19/77/34/189197734.db2.gz ZMFHMSMWEQOWGE-KRWDZBQOSA-N 2 1 298.390 2.119 20 30 CEEDMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@H](O)c1ccc(C#N)cc1 ZINC000179500348 189197735 /nfs/dbraw/zinc/19/77/35/189197735.db2.gz ZMFHMSMWEQOWGE-KRWDZBQOSA-N 2 1 298.390 2.119 20 30 CEEDMP C=C(C)[C@H](CO)[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000677478447 541017920 /nfs/dbraw/zinc/01/79/20/541017920.db2.gz YTHSUQJPLDIWCV-IRXDYDNUSA-N 2 1 280.456 2.367 20 30 CEEDMP C=C(C)[C@H](CO)[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000677478447 541017922 /nfs/dbraw/zinc/01/79/22/541017922.db2.gz YTHSUQJPLDIWCV-IRXDYDNUSA-N 2 1 280.456 2.367 20 30 CEEDMP N#Cc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000003955957 361295811 /nfs/dbraw/zinc/29/58/11/361295811.db2.gz BVURDHYGICHLGC-MRXNPFEDSA-N 2 1 255.365 2.134 20 30 CEEDMP N#Cc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000003955957 361295818 /nfs/dbraw/zinc/29/58/18/361295818.db2.gz BVURDHYGICHLGC-MRXNPFEDSA-N 2 1 255.365 2.134 20 30 CEEDMP N#Cc1cccc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000335538332 212235513 /nfs/dbraw/zinc/23/55/13/212235513.db2.gz IVROHWLBINNFJC-SJORKVTESA-N 2 1 269.392 2.380 20 30 CEEDMP N#Cc1cccc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000343572303 367891733 /nfs/dbraw/zinc/89/17/33/367891733.db2.gz MRHXJBNFIDSSQQ-SJORKVTESA-N 2 1 269.392 2.317 20 30 CEEDMP C=CC[C@H](CO)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000186695986 369022685 /nfs/dbraw/zinc/02/26/85/369022685.db2.gz HMQIYPUOLCBPHX-GOSISDBHSA-N 2 1 288.435 2.220 20 30 CEEDMP CC(C)[N@H+]1CCC[C@@H](CNCc2nc(C#N)cs2)C1 ZINC000352841882 369908098 /nfs/dbraw/zinc/90/80/98/369908098.db2.gz TUDDCGXWEXKXDW-LBPRGKRZSA-N 2 1 278.425 2.225 20 30 CEEDMP C=C(C)C[NH+]1CCC(N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC000352901163 369941581 /nfs/dbraw/zinc/94/15/81/369941581.db2.gz LASJJNQERVQVMU-RHSMWYFYSA-N 2 1 277.456 2.099 20 30 CEEDMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCCCC#N)[C@@H](C)C1 ZINC000246933564 371033089 /nfs/dbraw/zinc/03/30/89/371033089.db2.gz HEXBIJOVQJUJQP-JKSUJKDBSA-N 2 1 281.444 2.407 20 30 CEEDMP N#Cc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000252674908 371467238 /nfs/dbraw/zinc/46/72/38/371467238.db2.gz VNKUNRHRLDLSKF-HOTGVXAUSA-N 2 1 255.365 2.275 20 30 CEEDMP N#Cc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000252674908 371467243 /nfs/dbraw/zinc/46/72/43/371467243.db2.gz VNKUNRHRLDLSKF-HOTGVXAUSA-N 2 1 255.365 2.275 20 30 CEEDMP CCC#C[C@H](C)[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639701792 371506793 /nfs/dbraw/zinc/50/67/93/371506793.db2.gz AYXHWDUBFIVOHM-HNNXBMFYSA-N 2 1 257.381 2.396 20 30 CEEDMP CCNC(=[NH2+])NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000264081547 371964529 /nfs/dbraw/zinc/96/45/29/371964529.db2.gz INYVQZIEHQPHNS-CQSZACIVSA-N 2 1 288.439 2.485 20 30 CEEDMP C[N@@H+]1CC[C@H]2CCN(CCCOc3ccc(C#N)cc3)[C@@H]2C1 ZINC000373141148 374276873 /nfs/dbraw/zinc/27/68/73/374276873.db2.gz QMVIGOFMCAUWLV-FUHWJXTLSA-N 2 1 299.418 2.353 20 30 CEEDMP C[N@H+]1CC[C@H]2CCN(CCCOc3ccc(C#N)cc3)[C@@H]2C1 ZINC000373141148 374276880 /nfs/dbraw/zinc/27/68/80/374276880.db2.gz QMVIGOFMCAUWLV-FUHWJXTLSA-N 2 1 299.418 2.353 20 30 CEEDMP C[NH+](C)[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000277133397 374413525 /nfs/dbraw/zinc/41/35/25/374413525.db2.gz INGFJTIAVGNNPW-INIZCTEOSA-N 2 1 257.381 2.474 20 30 CEEDMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000277133397 374413530 /nfs/dbraw/zinc/41/35/30/374413530.db2.gz INGFJTIAVGNNPW-INIZCTEOSA-N 2 1 257.381 2.474 20 30 CEEDMP C=C(C)CC[N@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000375394918 374656132 /nfs/dbraw/zinc/65/61/32/374656132.db2.gz ZSWLDRFPJBADIU-HNNXBMFYSA-N 2 1 265.445 2.053 20 30 CEEDMP COc1cc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)ccc1C#N ZINC000414786758 375969519 /nfs/dbraw/zinc/96/95/19/375969519.db2.gz UUKYRQUBRRQXBR-IAGOWNOFSA-N 2 1 299.418 2.388 20 30 CEEDMP Cc1cn2c(n1)[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)CCC2 ZINC000328828478 376906634 /nfs/dbraw/zinc/90/66/34/376906634.db2.gz QRUBAHGYPQBAMO-STQMWFEESA-N 2 1 276.384 2.120 20 30 CEEDMP Cc1cn2c(n1)[C@H](CNC(=O)[C@@H]1CCCN1C)CCC2 ZINC000328828478 376906640 /nfs/dbraw/zinc/90/66/40/376906640.db2.gz QRUBAHGYPQBAMO-STQMWFEESA-N 2 1 276.384 2.120 20 30 CEEDMP N#Cc1cccc(C[NH2+]CCC[NH2+]Cc2cccnc2)c1 ZINC000563211102 377128799 /nfs/dbraw/zinc/12/87/99/377128799.db2.gz LAIAQOQYNPDUFK-UHFFFAOYSA-N 2 1 280.375 2.223 20 30 CEEDMP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000436291278 377821545 /nfs/dbraw/zinc/82/15/45/377821545.db2.gz PUJLMLBPLIRNTE-UGUYLWEFSA-N 2 1 264.413 2.184 20 30 CEEDMP C[N@H+]1CC[C@@H]2CCN(Cc3cc(C#N)cs3)[C@@H]2C1 ZINC000334398322 380354586 /nfs/dbraw/zinc/35/45/86/380354586.db2.gz LXWFDCNRVOPZSD-TZMCWYRMSA-N 2 1 261.394 2.146 20 30 CEEDMP Cc1[nH+]ccn1CCCCNC(=[NH2+])Nc1ccccc1 ZINC000267448612 394679243 /nfs/dbraw/zinc/67/92/43/394679243.db2.gz QRRBWTNLYWEPFY-UHFFFAOYSA-N 2 1 271.368 2.399 20 30 CEEDMP C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1C[NH+](CC)CC ZINC000360957409 394811739 /nfs/dbraw/zinc/81/17/39/394811739.db2.gz MHSGNAQYNWYNIO-ARFHVFGLSA-N 2 1 295.471 2.167 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](CC)[C@H]2CCOC2)CC1 ZINC000153023935 395000026 /nfs/dbraw/zinc/00/00/26/395000026.db2.gz WANKECMFOKHHNA-GOEBONIOSA-N 2 1 266.429 2.432 20 30 CEEDMP C[C@@H]1C[N@@H+](CC2CC[NH+](CC3(C#N)CC3)CC2)C[C@H](C)O1 ZINC000343318091 395037218 /nfs/dbraw/zinc/03/72/18/395037218.db2.gz WKTKIOFDNPMXPC-GASCZTMLSA-N 2 1 291.439 2.111 20 30 CEEDMP C[C@@H]1C[N@H+](CC2CC[NH+](CC3(C#N)CC3)CC2)C[C@H](C)O1 ZINC000343318091 395037220 /nfs/dbraw/zinc/03/72/20/395037220.db2.gz WKTKIOFDNPMXPC-GASCZTMLSA-N 2 1 291.439 2.111 20 30 CEEDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CCCCC#N)C1 ZINC000350331416 395184788 /nfs/dbraw/zinc/18/47/88/395184788.db2.gz QNNBHNCIFZIAPZ-OAHLLOKOSA-N 2 1 267.417 2.113 20 30 CEEDMP C[C@@H](CCC#N)[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000411246850 395324812 /nfs/dbraw/zinc/32/48/12/395324812.db2.gz OOPOTQOAPJETRG-ZDUSSCGKSA-N 2 1 260.385 2.367 20 30 CEEDMP C=CCOc1ccccc1C[NH2+]CCc1c[nH+]cn1C ZINC000401890469 395264993 /nfs/dbraw/zinc/26/49/93/395264993.db2.gz WYIYGJUYHIUOMO-UHFFFAOYSA-N 2 1 271.364 2.317 20 30 CEEDMP C=CC[C@@H]1CC[C@@H]([NH2+]CCCN2CCC[N@H+](C)CC2)C1 ZINC000651952923 401423298 /nfs/dbraw/zinc/42/32/98/401423298.db2.gz IETLKLYORKZOFO-IAGOWNOFSA-N 2 1 279.472 2.348 20 30 CEEDMP C=CCCC[C@@H](C)[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662154140 415662000 /nfs/dbraw/zinc/66/20/00/415662000.db2.gz WOABWIDMWRYUFO-ZBFHGGJFSA-N 2 1 266.429 2.262 20 30 CEEDMP C=CC[N@@H+](Cc1ccc2c(c1)C[NH2+]CC2)[C@@H](C)COC ZINC000662299741 415760864 /nfs/dbraw/zinc/76/08/64/415760864.db2.gz WOTJUFOZWWIIHH-AWEZNQCLSA-N 2 1 274.408 2.355 20 30 CEEDMP C=CC[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662327277 415784416 /nfs/dbraw/zinc/78/44/16/415784416.db2.gz LXLUWDLTMBQAPJ-UHFFFAOYSA-N 2 1 274.412 2.242 20 30 CEEDMP O=C(CCc1cnc[nH]1)NC1CC[NH+](CC2CC2)CC1 ZINC000329984823 228006819 /nfs/dbraw/zinc/00/68/19/228006819.db2.gz CQTPSMXEKJDYCL-UHFFFAOYSA-N 2 1 276.384 2.173 20 30 CEEDMP C=CCOc1ccc(C[N@@H+](C)CCC[NH2+]C)cc1OC ZINC000415126899 263274056 /nfs/dbraw/zinc/27/40/56/263274056.db2.gz HGXACQIRSLIYOH-UHFFFAOYSA-N 2 1 278.396 2.301 20 30 CEEDMP C=CCOc1ccc(C[N@H+](C)CCC[NH2+]C)cc1OC ZINC000415126899 263274057 /nfs/dbraw/zinc/27/40/57/263274057.db2.gz HGXACQIRSLIYOH-UHFFFAOYSA-N 2 1 278.396 2.301 20 30 CEEDMP N#CCSCCC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000369838503 267271191 /nfs/dbraw/zinc/27/11/91/267271191.db2.gz WEBXMILKFOUAOG-KFWWJZLASA-N 2 1 279.453 2.049 20 30 CEEDMP N#CCSCCC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000369838503 267271193 /nfs/dbraw/zinc/27/11/93/267271193.db2.gz WEBXMILKFOUAOG-KFWWJZLASA-N 2 1 279.453 2.049 20 30 CEEDMP N#CCSCCC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000369838503 267271198 /nfs/dbraw/zinc/27/11/98/267271198.db2.gz WEBXMILKFOUAOG-KFWWJZLASA-N 2 1 279.453 2.049 20 30 CEEDMP CC#CC[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000306460310 268048427 /nfs/dbraw/zinc/04/84/27/268048427.db2.gz BYAPQQNSEYXBIE-ZWKOTPCHSA-N 2 1 268.404 2.464 20 30 CEEDMP CC#CC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000306460310 268048430 /nfs/dbraw/zinc/04/84/30/268048430.db2.gz BYAPQQNSEYXBIE-ZWKOTPCHSA-N 2 1 268.404 2.464 20 30 CEEDMP CC#CC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000306460310 268048433 /nfs/dbraw/zinc/04/84/33/268048433.db2.gz BYAPQQNSEYXBIE-ZWKOTPCHSA-N 2 1 268.404 2.464 20 30 CEEDMP CC#CC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000306460310 268048437 /nfs/dbraw/zinc/04/84/37/268048437.db2.gz BYAPQQNSEYXBIE-ZWKOTPCHSA-N 2 1 268.404 2.464 20 30 CEEDMP C[NH+](C)CCC[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000237101169 327283104 /nfs/dbraw/zinc/28/31/04/327283104.db2.gz BGBYRVSVFMZGTO-UHFFFAOYSA-N 2 1 275.396 2.410 20 30 CEEDMP C=C(C)C[NH+]1CCC(N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1 ZINC000153025467 327307169 /nfs/dbraw/zinc/30/71/69/327307169.db2.gz IUYGVIDGCAQQCO-HOCLYGCPSA-N 2 1 277.456 2.242 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)CCCOC)CC1 ZINC000177916498 329190556 /nfs/dbraw/zinc/19/05/56/329190556.db2.gz ZFWQPCKOWYRNGQ-CQSZACIVSA-N 2 1 254.418 2.432 20 30 CEEDMP Cc1nc(C[NH+]2CCC(C[NH2+]CCC#N)CC2)oc1C ZINC000572028965 329938667 /nfs/dbraw/zinc/93/86/67/329938667.db2.gz MCFVOAFMRWKNGK-UHFFFAOYSA-N 2 1 276.384 2.007 20 30 CEEDMP C[NH+]=C(NC1CC1)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000262793661 330032093 /nfs/dbraw/zinc/03/20/93/330032093.db2.gz NVMHJWXXYCTDAN-XJKSGUPXSA-N 2 1 286.423 2.149 20 30 CEEDMP [NH2+]=C(NC[C@H]1CCCC[N@H+]1C1CC1)NC1CCCCC1 ZINC000262868679 330035795 /nfs/dbraw/zinc/03/57/95/330035795.db2.gz UTYDLTXBYOJZMH-OAHLLOKOSA-N 2 1 278.444 2.240 20 30 CEEDMP C=CCCCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000423056392 330167554 /nfs/dbraw/zinc/16/75/54/330167554.db2.gz XKOASVPWIGFASJ-KFWWJZLASA-N 2 1 252.402 2.089 20 30 CEEDMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC(C)(C)CC#N ZINC000423168670 330174166 /nfs/dbraw/zinc/17/41/66/330174166.db2.gz HQEDTVBOLZTNRA-ZFWWWQNUSA-N 2 1 259.397 2.474 20 30 CEEDMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424378875 330348990 /nfs/dbraw/zinc/34/89/90/330348990.db2.gz UEMWFULRNHEPKQ-ARLBYUKCSA-N 2 1 257.381 2.227 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)C1CCSCC1 ZINC000491073503 332145790 /nfs/dbraw/zinc/14/57/90/332145790.db2.gz ZYQJLJNRWNRCJC-ZDUSSCGKSA-N 2 1 254.443 2.063 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)C1CCSCC1 ZINC000491073503 332145791 /nfs/dbraw/zinc/14/57/91/332145791.db2.gz ZYQJLJNRWNRCJC-ZDUSSCGKSA-N 2 1 254.443 2.063 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)CSC(C)(C)C ZINC000491654582 332267010 /nfs/dbraw/zinc/26/70/10/332267010.db2.gz GAOZHITWQRKUHB-ZDUSSCGKSA-N 2 1 256.459 2.451 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)CSC(C)(C)C ZINC000491654582 332267012 /nfs/dbraw/zinc/26/70/12/332267012.db2.gz GAOZHITWQRKUHB-ZDUSSCGKSA-N 2 1 256.459 2.451 20 30 CEEDMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC000067222631 519862240 /nfs/dbraw/zinc/86/22/40/519862240.db2.gz AXQMZJMEUXWNMW-INIZCTEOSA-N 2 1 257.381 2.380 20 30 CEEDMP C=CCOCCC[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000347963297 526751248 /nfs/dbraw/zinc/75/12/48/526751248.db2.gz JJSKZLXJEVBWBJ-UHFFFAOYSA-N 2 1 252.402 2.139 20 30 CEEDMP C=CCOc1ccc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)cc1OC ZINC000347083962 526868030 /nfs/dbraw/zinc/86/80/30/526868030.db2.gz ZTBKCLKKFUDUPC-HNNXBMFYSA-N 2 1 290.407 2.431 20 30 CEEDMP C=CCOc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])C2)cc1OC ZINC000347083962 526868033 /nfs/dbraw/zinc/86/80/33/526868033.db2.gz ZTBKCLKKFUDUPC-HNNXBMFYSA-N 2 1 290.407 2.431 20 30 CEEDMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C#N)cc2)[C@H](C)C1 ZINC000742206511 575010646 /nfs/dbraw/zinc/01/06/46/575010646.db2.gz HPUKYVLFXDLNET-CJNGLKHVSA-N 2 1 257.381 2.378 20 30 CEEDMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C#N)cc2)[C@H](C)C1 ZINC000742206511 575010649 /nfs/dbraw/zinc/01/06/49/575010649.db2.gz HPUKYVLFXDLNET-CJNGLKHVSA-N 2 1 257.381 2.378 20 30 CEEDMP C=C(C)C[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001024513081 625591552 /nfs/dbraw/zinc/59/15/52/625591552.db2.gz NCYIFNQDUFDMJZ-JKSUJKDBSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)C[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001024513081 625591560 /nfs/dbraw/zinc/59/15/60/625591560.db2.gz NCYIFNQDUFDMJZ-JKSUJKDBSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001024513081 625591567 /nfs/dbraw/zinc/59/15/67/625591567.db2.gz NCYIFNQDUFDMJZ-JKSUJKDBSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001024513081 625591574 /nfs/dbraw/zinc/59/15/74/625591574.db2.gz NCYIFNQDUFDMJZ-JKSUJKDBSA-N 2 1 293.455 2.018 20 30 CEEDMP N#CC1CC[NH+](C/C=C\C[NH+]2CCC(C#N)CC2)CC1 ZINC000255027531 622788000 /nfs/dbraw/zinc/78/80/00/622788000.db2.gz IAWFBGFGTFNHQV-UPHRSURJSA-N 2 1 272.396 2.014 20 30 CEEDMP C#CCC1([NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CCC1 ZINC000933294067 623610791 /nfs/dbraw/zinc/61/07/91/623610791.db2.gz FKDDTUCJFOXGOB-LJQANCHMSA-N 2 1 298.430 2.159 20 30 CEEDMP C#CCC1([NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000933294067 623610796 /nfs/dbraw/zinc/61/07/96/623610796.db2.gz FKDDTUCJFOXGOB-LJQANCHMSA-N 2 1 298.430 2.159 20 30 CEEDMP CC[N@@H+](CCNC(=[NH2+])Nc1ccc(OC)cc1)C(C)C ZINC000104191553 624321736 /nfs/dbraw/zinc/32/17/36/624321736.db2.gz YVHFLIOINIPMFF-UHFFFAOYSA-N 2 1 278.400 2.152 20 30 CEEDMP CC(C)CCNC(=[NH2+])NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000157390832 624975124 /nfs/dbraw/zinc/97/51/24/624975124.db2.gz HBNLKLFEAUXYIL-HNNXBMFYSA-N 2 1 282.476 2.305 20 30 CEEDMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]CC#Cc1ccccc1 ZINC000892509741 625740058 /nfs/dbraw/zinc/74/00/58/625740058.db2.gz CIOBHXMAKISFHO-HNNXBMFYSA-N 2 1 267.376 2.469 20 30 CEEDMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cc(C#N)ccc3F)C[C@@H]2C1 ZINC000313000758 628574487 /nfs/dbraw/zinc/57/44/87/628574487.db2.gz NHBPQZDVFXJLNP-HIFRSBDPSA-N 2 1 273.355 2.081 20 30 CEEDMP C[N@H+]1CC[C@@H]2C[NH+](Cc3cc(C#N)ccc3F)C[C@@H]2C1 ZINC000313000758 628574488 /nfs/dbraw/zinc/57/44/88/628574488.db2.gz NHBPQZDVFXJLNP-HIFRSBDPSA-N 2 1 273.355 2.081 20 30 CEEDMP C[NH+]1CC[C@@H]2C[N@H+](Cc3cc(C#N)ccc3F)C[C@@H]2C1 ZINC000313000758 628574491 /nfs/dbraw/zinc/57/44/91/628574491.db2.gz NHBPQZDVFXJLNP-HIFRSBDPSA-N 2 1 273.355 2.081 20 30 CEEDMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cc(C#N)ccc3F)C[C@@H]2C1 ZINC000313000758 628574493 /nfs/dbraw/zinc/57/44/93/628574493.db2.gz NHBPQZDVFXJLNP-HIFRSBDPSA-N 2 1 273.355 2.081 20 30 CEEDMP N#Cc1ccc(F)c(C[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)c1 ZINC000925812503 628864775 /nfs/dbraw/zinc/86/47/75/628864775.db2.gz ICUOBRFKFMNQII-KGLIPLIRSA-N 2 1 259.328 2.057 20 30 CEEDMP C[C@H](C#N)Oc1ccc(C[NH2+]CC[C@@H](C)[NH+](C)C)cc1 ZINC000895296665 630089467 /nfs/dbraw/zinc/08/94/67/630089467.db2.gz ARYXYQWJYRJXNS-ZIAGYGMSSA-N 2 1 275.396 2.407 20 30 CEEDMP C[NH+]1CCC2(CCC[N@H+]([C@@H]3CC[C@@H](C#N)C3)C2)CC1 ZINC000815107123 632960480 /nfs/dbraw/zinc/96/04/80/632960480.db2.gz KHJUTOAQENXATN-HUUCEWRRSA-N 2 1 261.413 2.486 20 30 CEEDMP C=CCCC[C@H]([NH3+])c1nc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)no1 ZINC000900015522 633177755 /nfs/dbraw/zinc/17/77/55/633177755.db2.gz DNPCUKZPAFRBOR-WVMKXHBISA-N 2 1 276.384 2.424 20 30 CEEDMP N#CCOc1ccc(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])cc1 ZINC000817918658 633776658 /nfs/dbraw/zinc/77/66/58/633776658.db2.gz MAWYIVVZLUHUPO-HZPDHXFCSA-N 2 1 273.380 2.339 20 30 CEEDMP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2cc(Cl)cc(C#N)c2)C1 ZINC000903447414 635132923 /nfs/dbraw/zinc/13/29/23/635132923.db2.gz RFZWBYYAKZCINB-MFKMUULPSA-N 2 1 263.772 2.381 20 30 CEEDMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2cc(Cl)cc(C#N)c2)C1 ZINC000903447414 635132927 /nfs/dbraw/zinc/13/29/27/635132927.db2.gz RFZWBYYAKZCINB-MFKMUULPSA-N 2 1 263.772 2.381 20 30 CEEDMP Cc1cc(C#N)cc(C)c1C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000903453068 635136724 /nfs/dbraw/zinc/13/67/24/635136724.db2.gz XXHIRSBUDLWPCX-MRXNPFEDSA-N 2 1 257.381 2.346 20 30 CEEDMP Cc1cc(C#N)cc(C)c1C[N@@H+]1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903861134 635312831 /nfs/dbraw/zinc/31/28/31/635312831.db2.gz VMPICGRJIZJKMA-DOTOQJQBSA-N 2 1 269.392 2.488 20 30 CEEDMP Cc1cc(C#N)cc(C)c1C[N@H+]1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903861134 635312834 /nfs/dbraw/zinc/31/28/34/635312834.db2.gz VMPICGRJIZJKMA-DOTOQJQBSA-N 2 1 269.392 2.488 20 30 CEEDMP C=CCOc1ccccc1C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000904410660 635617003 /nfs/dbraw/zinc/61/70/03/635617003.db2.gz QQOVOOZNHNIFQD-CQSZACIVSA-N 2 1 260.381 2.422 20 30 CEEDMP C#CC[NH+](C)Cc1cc(Cl)cc(C[N@@H+](C)CC#C)c1 ZINC000829159393 636790546 /nfs/dbraw/zinc/79/05/46/636790546.db2.gz QWCUEJPXNZYPTO-UHFFFAOYSA-N 2 1 274.795 2.470 20 30 CEEDMP C=C(CC[NH+](C)C)C(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000912989680 639178284 /nfs/dbraw/zinc/17/82/84/639178284.db2.gz VDCWFNMKSSRBRB-INIZCTEOSA-N 2 1 293.455 2.018 20 30 CEEDMP N#Cc1cnc(Cl)c(CNC[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000876929074 650490567 /nfs/dbraw/zinc/49/05/67/650490567.db2.gz GIGGEGNTJYFCFJ-NSHDSACASA-N 2 1 290.798 2.181 20 30 CEEDMP C#CCCCC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000848534839 642038890 /nfs/dbraw/zinc/03/88/90/642038890.db2.gz AFMVXCZPBLKKMQ-INIZCTEOSA-N 2 1 264.413 2.023 20 30 CEEDMP N#Cc1cc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cs1 ZINC000921526835 642207009 /nfs/dbraw/zinc/20/70/09/642207009.db2.gz ILRXZDCUZXIMHF-LLVKDONJSA-N 2 1 261.394 2.194 20 30 CEEDMP N#Cc1cc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cs1 ZINC000921526835 642207012 /nfs/dbraw/zinc/20/70/12/642207012.db2.gz ILRXZDCUZXIMHF-LLVKDONJSA-N 2 1 261.394 2.194 20 30 CEEDMP C[NH+]=C(NCc1ccco1)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000849024066 642237654 /nfs/dbraw/zinc/23/76/54/642237654.db2.gz PJJAXSXWFXUSBM-CQSZACIVSA-N 2 1 292.427 2.065 20 30 CEEDMP CC(C)[N@H+]1CC[C@@H](CNC(=[NH2+])Nc2ccccc2)C1 ZINC000203308981 646547861 /nfs/dbraw/zinc/54/78/61/646547861.db2.gz ZGKMLWMTAMTFNQ-ZDUSSCGKSA-N 2 1 260.385 2.144 20 30 CEEDMP C=CCCCCC[C@@H](C)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000793552691 648776189 /nfs/dbraw/zinc/77/61/89/648776189.db2.gz KTXKBINYBCEFGQ-CABCVRRESA-N 2 1 254.418 2.168 20 30 CEEDMP C=CCCCCC[C@@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000793552691 648776193 /nfs/dbraw/zinc/77/61/93/648776193.db2.gz KTXKBINYBCEFGQ-CABCVRRESA-N 2 1 254.418 2.168 20 30 CEEDMP C[N@@H+]1CC[C@@H]2C[NH+](CCCC3(C#N)CCOCC3)CC[C@@H]21 ZINC000879581591 651327166 /nfs/dbraw/zinc/32/71/66/651327166.db2.gz MPYWTTNROPJFBY-CVEARBPZSA-N 2 1 291.439 2.113 20 30 CEEDMP C[N@H+]1CC[C@@H]2C[NH+](CCCC3(C#N)CCOCC3)CC[C@@H]21 ZINC000879581591 651327167 /nfs/dbraw/zinc/32/71/67/651327167.db2.gz MPYWTTNROPJFBY-CVEARBPZSA-N 2 1 291.439 2.113 20 30 CEEDMP C[NH+]1CC[C@@H]2C[N@H+](CCCC3(C#N)CCOCC3)CC[C@@H]21 ZINC000879581591 651327168 /nfs/dbraw/zinc/32/71/68/651327168.db2.gz MPYWTTNROPJFBY-CVEARBPZSA-N 2 1 291.439 2.113 20 30 CEEDMP C[NH+]1CC[C@@H]2C[N@@H+](CCCC3(C#N)CCOCC3)CC[C@@H]21 ZINC000879581591 651327169 /nfs/dbraw/zinc/32/71/69/651327169.db2.gz MPYWTTNROPJFBY-CVEARBPZSA-N 2 1 291.439 2.113 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000883131209 652372754 /nfs/dbraw/zinc/37/27/54/652372754.db2.gz OQQAIEOKIJPBAX-UHFFFAOYSA-N 2 1 281.403 2.286 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000883131209 652372756 /nfs/dbraw/zinc/37/27/56/652372756.db2.gz OQQAIEOKIJPBAX-UHFFFAOYSA-N 2 1 281.403 2.286 20 30 CEEDMP C=CCC[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)[C@@H]1CCCO1 ZINC000883188015 652393738 /nfs/dbraw/zinc/39/37/38/652393738.db2.gz BFBHCIYWWQDQJB-JYJNAYRXSA-N 2 1 266.429 2.432 20 30 CEEDMP C=CCC[C@H](Cc1ccccc1)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000883217012 652402928 /nfs/dbraw/zinc/40/29/28/652402928.db2.gz ZTEWMUHSVOAQSN-QZTJIDSGSA-N 2 1 288.435 2.220 20 30 CEEDMP C=CCC[C@H](Cc1ccccc1)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000883217012 652402930 /nfs/dbraw/zinc/40/29/30/652402930.db2.gz ZTEWMUHSVOAQSN-QZTJIDSGSA-N 2 1 288.435 2.220 20 30 CEEDMP C=CCC[NH+]1CCC[C@](C)(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001271016500 805715473 /nfs/dbraw/zinc/71/54/73/805715473.db2.gz HCCLEUTYCDNHBD-QGZVFWFLSA-N 2 1 295.471 2.121 20 30 CEEDMP C=CCC[N@H+]1CCC[C@](C)(CNC(=O)C[NH+](C)C(C)C)C1 ZINC001271016500 805715475 /nfs/dbraw/zinc/71/54/75/805715475.db2.gz HCCLEUTYCDNHBD-QGZVFWFLSA-N 2 1 295.471 2.121 20 30 CEEDMP C=CCC[N@@H+]1CCC[C@](C)(CNC(=O)C[NH+](C)C(C)C)C1 ZINC001271016500 805715485 /nfs/dbraw/zinc/71/54/85/805715485.db2.gz HCCLEUTYCDNHBD-QGZVFWFLSA-N 2 1 295.471 2.121 20 30 CEEDMP C=CCCC[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(C)C ZINC001271839546 806112217 /nfs/dbraw/zinc/11/22/17/806112217.db2.gz SYGSLQMXHUSEEJ-OAGGEKHMSA-N 2 1 295.471 2.023 20 30 CEEDMP C=CCC[NH+]1CCC([C@@H](C)NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001279111414 802896768 /nfs/dbraw/zinc/89/67/68/802896768.db2.gz LOSJOMYNUUEMGM-OAHLLOKOSA-N 2 1 295.471 2.119 20 30 CEEDMP C=C(C)C[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001028335518 804718118 /nfs/dbraw/zinc/71/81/18/804718118.db2.gz WRICOSVCOHHHAX-HOTGVXAUSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001028335518 804718121 /nfs/dbraw/zinc/71/81/21/804718121.db2.gz WRICOSVCOHHHAX-HOTGVXAUSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001028335518 804718127 /nfs/dbraw/zinc/71/81/27/804718127.db2.gz WRICOSVCOHHHAX-HOTGVXAUSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001028334466 804718975 /nfs/dbraw/zinc/71/89/75/804718975.db2.gz AQBZTSVEJNOGOO-HZPDHXFCSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)C[N@H+](C)CCN(C(=O)[C@@H](CC)[NH+](C)C)C(C)C ZINC001284552910 805202338 /nfs/dbraw/zinc/20/23/38/805202338.db2.gz ABWLBUOHCFSUSI-OAHLLOKOSA-N 2 1 283.460 2.072 20 30 CEEDMP C=CCC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001033271244 809253232 /nfs/dbraw/zinc/25/32/32/809253232.db2.gz IBUVCIPSHCAPNC-INIZCTEOSA-N 2 1 298.390 2.057 20 30 CEEDMP CCCCCCC[C@H](C)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000702600451 809570305 /nfs/dbraw/zinc/57/03/05/809570305.db2.gz RCPZBHOFZKRFLB-GJZGRUSLSA-N 2 1 256.434 2.392 20 30 CEEDMP CCCCCCC[C@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000702600451 809570309 /nfs/dbraw/zinc/57/03/09/809570309.db2.gz RCPZBHOFZKRFLB-GJZGRUSLSA-N 2 1 256.434 2.392 20 30 CEEDMP C=CCC[NH+]1CCCC[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001034397825 809600188 /nfs/dbraw/zinc/60/01/88/809600188.db2.gz LUEIIKNMBBEYBP-JKSUJKDBSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCC[N@H+]1CCCC[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001034397825 809600193 /nfs/dbraw/zinc/60/01/93/809600193.db2.gz LUEIIKNMBBEYBP-JKSUJKDBSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCC[N@@H+]1CCCC[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001034397825 809600196 /nfs/dbraw/zinc/60/01/96/809600196.db2.gz LUEIIKNMBBEYBP-JKSUJKDBSA-N 2 1 293.455 2.018 20 30 CEEDMP C[C@@H](Cc1ccc(C#N)cc1)[NH2+]C1CC[NH+](C)CC1 ZINC001172290785 815382872 /nfs/dbraw/zinc/38/28/72/815382872.db2.gz FWDJTZUGDDRNQB-ZDUSSCGKSA-N 2 1 257.381 2.173 20 30 CEEDMP C=C(C)CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001169809111 811675104 /nfs/dbraw/zinc/67/51/04/811675104.db2.gz FHECLTBYHATUET-CVEARBPZSA-N 2 1 295.471 2.311 20 30 CEEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C2 ZINC001109443735 811890962 /nfs/dbraw/zinc/89/09/62/811890962.db2.gz CWYWANMUYOTSBE-QXSJWSMHSA-N 2 1 293.455 2.014 20 30 CEEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](CC)[NH+](CC)CC)C2 ZINC001109709147 811931801 /nfs/dbraw/zinc/93/18/01/811931801.db2.gz FEKBJDIBFABWOO-UGUYLWEFSA-N 2 1 293.455 2.014 20 30 CEEDMP C=CCCC[NH+]1C[C@H](NC(=O)CC[N@H+](C)CC)CC[C@H]1C ZINC001132410838 812843033 /nfs/dbraw/zinc/84/30/33/812843033.db2.gz OYIRAWDFQUDQSR-HZPDHXFCSA-N 2 1 295.471 2.264 20 30 CEEDMP C=CCCC[N@@H+]1C[C@H](NC(=O)CC[NH+](C)CC)CC[C@H]1C ZINC001132410838 812843044 /nfs/dbraw/zinc/84/30/44/812843044.db2.gz OYIRAWDFQUDQSR-HZPDHXFCSA-N 2 1 295.471 2.264 20 30 CEEDMP C=CCCC[N@H+]1C[C@H](NC(=O)CC[NH+](C)CC)CC[C@H]1C ZINC001132410838 812843051 /nfs/dbraw/zinc/84/30/51/812843051.db2.gz OYIRAWDFQUDQSR-HZPDHXFCSA-N 2 1 295.471 2.264 20 30 CEEDMP C=C(C)CC[NH+]1C[C@H](NC(=O)C[N@H+](C)CCC)CC[C@H]1C ZINC001132441337 812856800 /nfs/dbraw/zinc/85/68/00/812856800.db2.gz NPFZPKRIRDQMQK-HZPDHXFCSA-N 2 1 295.471 2.264 20 30 CEEDMP C=C(C)CC[N@@H+]1C[C@H](NC(=O)C[NH+](C)CCC)CC[C@H]1C ZINC001132441337 812856808 /nfs/dbraw/zinc/85/68/08/812856808.db2.gz NPFZPKRIRDQMQK-HZPDHXFCSA-N 2 1 295.471 2.264 20 30 CEEDMP C=C(C)CC[N@H+]1C[C@H](NC(=O)C[NH+](C)CCC)CC[C@H]1C ZINC001132441337 812856820 /nfs/dbraw/zinc/85/68/20/812856820.db2.gz NPFZPKRIRDQMQK-HZPDHXFCSA-N 2 1 295.471 2.264 20 30 CEEDMP C=C(C)CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001052255160 812957772 /nfs/dbraw/zinc/95/77/72/812957772.db2.gz WRKWKRSAIXIYSY-CVEARBPZSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001052255160 812957775 /nfs/dbraw/zinc/95/77/75/812957775.db2.gz WRKWKRSAIXIYSY-CVEARBPZSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001052255160 812957782 /nfs/dbraw/zinc/95/77/82/812957782.db2.gz WRKWKRSAIXIYSY-CVEARBPZSA-N 2 1 293.455 2.018 20 30 CEEDMP CC1(C#N)CCC([N@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)CC1 ZINC001246554843 814027604 /nfs/dbraw/zinc/02/76/04/814027604.db2.gz DYHZJJMTAKEYIP-HIFPTAJRSA-N 2 1 271.355 2.375 20 30 CEEDMP C#Cc1ccc(C[NH+]2C[C@H]3C[N@H+](CC)C[C@H]3C2)cc1 ZINC001144581018 814114847 /nfs/dbraw/zinc/11/48/47/814114847.db2.gz KPWJMSXTYOSQJR-CALCHBBNSA-N 2 1 254.377 2.051 20 30 CEEDMP C#Cc1ccc(C[NH+]2C[C@H]3C[N@@H+](CC)C[C@H]3C2)cc1 ZINC001144581018 814114854 /nfs/dbraw/zinc/11/48/54/814114854.db2.gz KPWJMSXTYOSQJR-CALCHBBNSA-N 2 1 254.377 2.051 20 30 CEEDMP C#Cc1ccc(C[N@@H+]2C[C@H]3C[NH+](CC)C[C@H]3C2)cc1 ZINC001144581018 814114859 /nfs/dbraw/zinc/11/48/59/814114859.db2.gz KPWJMSXTYOSQJR-CALCHBBNSA-N 2 1 254.377 2.051 20 30 CEEDMP C#Cc1ccc(C[N@H+]2C[C@H]3C[NH+](CC)C[C@H]3C2)cc1 ZINC001144581018 814114864 /nfs/dbraw/zinc/11/48/64/814114864.db2.gz KPWJMSXTYOSQJR-CALCHBBNSA-N 2 1 254.377 2.051 20 30 CEEDMP C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001171229260 814198421 /nfs/dbraw/zinc/19/84/21/814198421.db2.gz LIYUSEJUCWPKHU-BMGDILEWSA-N 2 1 283.419 2.373 20 30 CEEDMP C[C@@H](Cc1cccc(C#N)c1)[N@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001171229260 814198429 /nfs/dbraw/zinc/19/84/29/814198429.db2.gz LIYUSEJUCWPKHU-BMGDILEWSA-N 2 1 283.419 2.373 20 30 CEEDMP CCCCCCC[C@H](C)[N@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001246646107 814241973 /nfs/dbraw/zinc/24/19/73/814241973.db2.gz WLCBBHNELKIKOC-JKSUJKDBSA-N 2 1 267.461 2.373 20 30 CEEDMP C#CCOc1ccc(CN2C[C@@H]3C[N@@H+](CCC)C[C@@H]3C2)cc1 ZINC001138560249 815829750 /nfs/dbraw/zinc/82/97/50/815829750.db2.gz NXMJNZUAJGAQQL-HDICACEKSA-N 2 1 298.430 2.472 20 30 CEEDMP C#CCOc1ccc(C[NH+]2C[C@H]3C[N@H+](CCC)C[C@H]3C2)cc1 ZINC001138560249 815829757 /nfs/dbraw/zinc/82/97/57/815829757.db2.gz NXMJNZUAJGAQQL-HDICACEKSA-N 2 1 298.430 2.472 20 30 CEEDMP C#CCOc1ccc(C[NH+]2C[C@H]3C[N@@H+](CCC)C[C@H]3C2)cc1 ZINC001138560249 815829762 /nfs/dbraw/zinc/82/97/62/815829762.db2.gz NXMJNZUAJGAQQL-HDICACEKSA-N 2 1 298.430 2.472 20 30 CEEDMP C#CCOc1ccc(C[N@@H+]2C[C@H]3C[NH+](CCC)C[C@H]3C2)cc1 ZINC001138560249 815829769 /nfs/dbraw/zinc/82/97/69/815829769.db2.gz NXMJNZUAJGAQQL-HDICACEKSA-N 2 1 298.430 2.472 20 30 CEEDMP C#CCOc1ccc(C[N@H+]2C[C@H]3C[NH+](CCC)C[C@H]3C2)cc1 ZINC001138560249 815829775 /nfs/dbraw/zinc/82/97/75/815829775.db2.gz NXMJNZUAJGAQQL-HDICACEKSA-N 2 1 298.430 2.472 20 30 CEEDMP C=CCCC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001178045899 816663513 /nfs/dbraw/zinc/66/35/13/816663513.db2.gz ZBZUACXJPJUYRW-INIZCTEOSA-N 2 1 295.471 2.313 20 30 CEEDMP N#Cc1ccc(C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000601335112 346823887 /nfs/dbraw/zinc/82/38/87/346823887.db2.gz QGJLJEFFNOJMTO-HOTGVXAUSA-N 2 1 255.365 2.132 20 30 CEEDMP N#Cc1ccc(C[N@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000601335112 346823891 /nfs/dbraw/zinc/82/38/91/346823891.db2.gz QGJLJEFFNOJMTO-HOTGVXAUSA-N 2 1 255.365 2.132 20 30 CEEDMP C=CCC1([NH2+]C2CC[NH+](C3CC3)CC2)CCOCC1 ZINC000668551903 539196765 /nfs/dbraw/zinc/19/67/65/539196765.db2.gz ZPHLUEFYLBDBMU-UHFFFAOYSA-N 2 1 264.413 2.328 20 30 CEEDMP C#CCOc1ccccc1C[NH2+]CCCn1cc[nH+]c1C ZINC000069754153 343790742 /nfs/dbraw/zinc/79/07/42/343790742.db2.gz JZWUQRVIMXTDJW-UHFFFAOYSA-N 2 1 283.375 2.383 20 30 CEEDMP N#Cc1cccc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000161399850 344464239 /nfs/dbraw/zinc/46/42/39/344464239.db2.gz DZRWZFFSWSTKSG-UHFFFAOYSA-N 2 1 278.359 2.275 20 30 CEEDMP C#CCOc1ccc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000292885760 344689525 /nfs/dbraw/zinc/68/95/25/344689525.db2.gz YHIUEYRUPLLILL-SFHVURJKSA-N 2 1 284.403 2.226 20 30 CEEDMP C#CCOc1ccc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)cc1 ZINC000292885760 344689529 /nfs/dbraw/zinc/68/95/29/344689529.db2.gz YHIUEYRUPLLILL-SFHVURJKSA-N 2 1 284.403 2.226 20 30 CEEDMP C#CCOc1ccc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000292885760 344689533 /nfs/dbraw/zinc/68/95/33/344689533.db2.gz YHIUEYRUPLLILL-SFHVURJKSA-N 2 1 284.403 2.226 20 30 CEEDMP C#CCOc1ccc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000292885760 344689537 /nfs/dbraw/zinc/68/95/37/344689537.db2.gz YHIUEYRUPLLILL-SFHVURJKSA-N 2 1 284.403 2.226 20 30 CEEDMP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000602546022 347071912 /nfs/dbraw/zinc/07/19/12/347071912.db2.gz AVJJHJDRKNIBDY-LSDHHAIUSA-N 2 1 279.428 2.017 20 30 CEEDMP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@H]([NH3+])C1CC1 ZINC000591578159 345266193 /nfs/dbraw/zinc/26/61/93/345266193.db2.gz BWUXMRNMJUDLCY-JKSUJKDBSA-N 2 1 255.365 2.263 20 30 CEEDMP N#Cc1ccc(CC[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000595058196 345736605 /nfs/dbraw/zinc/73/66/05/345736605.db2.gz ZFVDECCPLIPNAF-UHFFFAOYSA-N 2 1 269.392 2.317 20 30 CEEDMP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CCOc1ccc(C#N)cc1)C2 ZINC000595507995 345799303 /nfs/dbraw/zinc/79/93/03/345799303.db2.gz STEVOSGQWVFJJW-SFHVURJKSA-N 2 1 299.418 2.355 20 30 CEEDMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CCOc1ccc(C#N)cc1)C2 ZINC000595507995 345799305 /nfs/dbraw/zinc/79/93/05/345799305.db2.gz STEVOSGQWVFJJW-SFHVURJKSA-N 2 1 299.418 2.355 20 30 CEEDMP C[NH+]1CC[C@]2(C1)CCC[N@H+](CCOc1ccc(C#N)cc1)C2 ZINC000595507995 345799307 /nfs/dbraw/zinc/79/93/07/345799307.db2.gz STEVOSGQWVFJJW-SFHVURJKSA-N 2 1 299.418 2.355 20 30 CEEDMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CCOc1ccc(C#N)cc1)C2 ZINC000595507995 345799308 /nfs/dbraw/zinc/79/93/08/345799308.db2.gz STEVOSGQWVFJJW-SFHVURJKSA-N 2 1 299.418 2.355 20 30 CEEDMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]C[C@H](O)CC2(C#N)CC2)C1 ZINC000600716452 346676989 /nfs/dbraw/zinc/67/69/89/346676989.db2.gz LMJFGIZXGMRSAO-HZPDHXFCSA-N 2 1 293.455 2.143 20 30 CEEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000602724037 347171766 /nfs/dbraw/zinc/17/17/66/347171766.db2.gz PMHLKAXHOOGKQQ-HZPDHXFCSA-N 2 1 293.455 2.407 20 30 CEEDMP C[NH+](C)C[C@@]1(O)CCC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000602876135 347234740 /nfs/dbraw/zinc/23/47/40/347234740.db2.gz FCLIYRHQGHVZCE-INIZCTEOSA-N 2 1 281.444 2.095 20 30 CEEDMP N#Cc1cccc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000609599088 347645720 /nfs/dbraw/zinc/64/57/20/347645720.db2.gz LMCPEKVFPGKJKS-GOSISDBHSA-N 2 1 299.418 2.291 20 30 CEEDMP CC[N@H+]1CC[C@@H](N(C)Cc2ccnc(C#N)c2)[C@H](C)C1 ZINC000610994689 347729901 /nfs/dbraw/zinc/72/99/01/347729901.db2.gz IWOZIIGPTAMQEG-CZUORRHYSA-N 2 1 272.396 2.115 20 30 CEEDMP N#Cc1ccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1F ZINC000404251141 233193022 /nfs/dbraw/zinc/19/30/22/233193022.db2.gz KKSVOFUXBFGMDJ-CYBMUJFWSA-N 2 1 273.355 2.271 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)CCn2cccn2)CC1 ZINC000158828658 188396293 /nfs/dbraw/zinc/39/62/93/188396293.db2.gz BRFIANAXQMVSPK-OAHLLOKOSA-N 2 1 276.428 2.292 20 30 CEEDMP CCCNC(=[NH2+])NC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000136873170 366528856 /nfs/dbraw/zinc/52/88/56/366528856.db2.gz HUZXEHRHQGUGAF-ZBFHGGJFSA-N 2 1 288.439 2.211 20 30 CEEDMP C=C(C)C[NH+]1CCC(N[C@@H]2CC[N@H+](CC)C[C@H]2C)CC1 ZINC000152974803 366722680 /nfs/dbraw/zinc/72/26/80/366722680.db2.gz DYZCVTCSYVRBNC-NVXWUHKLSA-N 2 1 279.472 2.347 20 30 CEEDMP C[C@]1(CNC(=[NH2+])NC2CC2)CCC[N@H+]1Cc1ccccc1 ZINC000153555669 366735935 /nfs/dbraw/zinc/73/59/35/366735935.db2.gz AIEXWQRWCHESTO-QGZVFWFLSA-N 2 1 286.423 2.108 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2cnc3n[nH]c(C)c3c2)CC1 ZINC000358150763 370926241 /nfs/dbraw/zinc/92/62/41/370926241.db2.gz GYFAZXDOSCJVJN-UHFFFAOYSA-N 2 1 299.422 2.396 20 30 CEEDMP C=CCOc1ccc(C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)cc1OC ZINC000346652675 368752798 /nfs/dbraw/zinc/75/27/98/368752798.db2.gz HVCKWZVGTMUJOE-UKRRQHHQSA-N 2 1 290.407 2.429 20 30 CEEDMP C=CCCCCC[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639767820 371554908 /nfs/dbraw/zinc/55/49/08/371554908.db2.gz TXAVJKLASPWCIJ-HNNXBMFYSA-N 2 1 254.418 2.121 20 30 CEEDMP C[C@H](CNC(=[NH2+])Nc1ccc2c(c1)CCC2)[N@@H+](C)C1CC1 ZINC000264236451 371987954 /nfs/dbraw/zinc/98/79/54/371987954.db2.gz DFTRFIUZTSNMBI-GFCCVEGCSA-N 2 1 286.423 2.385 20 30 CEEDMP C=C(C)C[NH+]1CCC(N[C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)CC1 ZINC000367613427 373167577 /nfs/dbraw/zinc/16/75/77/373167577.db2.gz FNHXZXSCENXGGJ-KSZLIROESA-N 2 1 291.483 2.489 20 30 CEEDMP N#Cc1cccc(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@H]3C2)c1 ZINC000369598943 373466233 /nfs/dbraw/zinc/46/62/33/373466233.db2.gz GKZUDFYOXOIQLS-FGTMMUONSA-N 2 1 281.403 2.474 20 30 CEEDMP N#Cc1cccc(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@H]3C2)c1 ZINC000369598943 373466238 /nfs/dbraw/zinc/46/62/38/373466238.db2.gz GKZUDFYOXOIQLS-FGTMMUONSA-N 2 1 281.403 2.474 20 30 CEEDMP N#Cc1cccc(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)c1 ZINC000369598943 373466243 /nfs/dbraw/zinc/46/62/43/373466243.db2.gz GKZUDFYOXOIQLS-FGTMMUONSA-N 2 1 281.403 2.474 20 30 CEEDMP N#Cc1cccc(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)c1 ZINC000369598943 373466246 /nfs/dbraw/zinc/46/62/46/373466246.db2.gz GKZUDFYOXOIQLS-FGTMMUONSA-N 2 1 281.403 2.474 20 30 CEEDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc(C#N)cc1 ZINC000371296137 373834315 /nfs/dbraw/zinc/83/43/15/373834315.db2.gz XGFMKOYCNBPQEC-KZNAEPCWSA-N 2 1 299.418 2.242 20 30 CEEDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(C#N)cc1 ZINC000371296137 373834324 /nfs/dbraw/zinc/83/43/24/373834324.db2.gz XGFMKOYCNBPQEC-KZNAEPCWSA-N 2 1 299.418 2.242 20 30 CEEDMP C=CC[C@H](CO)[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274815423 374059496 /nfs/dbraw/zinc/05/94/96/374059496.db2.gz ZADKOZRGKZTCSQ-RYQLBKOJSA-N 2 1 288.435 2.424 20 30 CEEDMP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccc(C#N)o2)C1 ZINC000290303359 376724699 /nfs/dbraw/zinc/72/46/99/376724699.db2.gz BMOBFALAZRCPBS-IUODEOHRSA-N 2 1 259.353 2.067 20 30 CEEDMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccc(C#N)o2)C1 ZINC000290303359 376724704 /nfs/dbraw/zinc/72/47/04/376724704.db2.gz BMOBFALAZRCPBS-IUODEOHRSA-N 2 1 259.353 2.067 20 30 CEEDMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccc(C#N)o2)C1 ZINC000290303359 376724711 /nfs/dbraw/zinc/72/47/11/376724711.db2.gz BMOBFALAZRCPBS-IUODEOHRSA-N 2 1 259.353 2.067 20 30 CEEDMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccc(C#N)o2)C1 ZINC000290303359 376724715 /nfs/dbraw/zinc/72/47/15/376724715.db2.gz BMOBFALAZRCPBS-IUODEOHRSA-N 2 1 259.353 2.067 20 30 CEEDMP Cc1cn2c(n1)[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)CCC2 ZINC000328828477 376905982 /nfs/dbraw/zinc/90/59/82/376905982.db2.gz QRUBAHGYPQBAMO-QWHCGFSZSA-N 2 1 276.384 2.120 20 30 CEEDMP Cc1cn2c(n1)[C@H](CNC(=O)[C@H]1CCCN1C)CCC2 ZINC000328828477 376905991 /nfs/dbraw/zinc/90/59/91/376905991.db2.gz QRUBAHGYPQBAMO-QWHCGFSZSA-N 2 1 276.384 2.120 20 30 CEEDMP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1C)c1ccc(C#N)cc1F ZINC000423406625 377269773 /nfs/dbraw/zinc/26/97/73/377269773.db2.gz UXTILZDVERVTKP-PGUXBMHVSA-N 2 1 261.344 2.346 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCc2c1cccc2OC ZINC000295103065 378041252 /nfs/dbraw/zinc/04/12/52/378041252.db2.gz WHLNJGKHRQOXDU-INIZCTEOSA-N 2 1 272.392 2.227 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCc2c1cccc2OC ZINC000295103065 378041258 /nfs/dbraw/zinc/04/12/58/378041258.db2.gz WHLNJGKHRQOXDU-INIZCTEOSA-N 2 1 272.392 2.227 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(OC)c(F)c1 ZINC000295121379 378042775 /nfs/dbraw/zinc/04/27/75/378042775.db2.gz YRJOZKMHSFSWPA-ZDUSSCGKSA-N 2 1 278.371 2.440 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(OC)c(F)c1 ZINC000295121379 378042784 /nfs/dbraw/zinc/04/27/84/378042784.db2.gz YRJOZKMHSFSWPA-ZDUSSCGKSA-N 2 1 278.371 2.440 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(OC)cc1 ZINC000294859757 378024234 /nfs/dbraw/zinc/02/42/34/378024234.db2.gz BXFIYLOQMYASHP-CQSZACIVSA-N 2 1 260.381 2.301 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(OC)cc1 ZINC000294859757 378024237 /nfs/dbraw/zinc/02/42/37/378024237.db2.gz BXFIYLOQMYASHP-CQSZACIVSA-N 2 1 260.381 2.301 20 30 CEEDMP CC[NH+]1CCC([NH2+]Cc2ccc(C#N)c(OC)c2)CC1 ZINC000281774612 195375407 /nfs/dbraw/zinc/37/54/07/195375407.db2.gz SOPHKDCSEVBIDK-UHFFFAOYSA-N 2 1 273.380 2.141 20 30 CEEDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccc(C#N)cc1 ZINC000237536268 131039465 /nfs/dbraw/zinc/03/94/65/131039465.db2.gz ZJTVXLICQVYTOX-CYBMUJFWSA-N 2 1 268.364 2.489 20 30 CEEDMP [NH2+]=C(NC[C@H]1CC[N@H+](C2CC2)C1)Nc1ccc2c(c1)CCC2 ZINC000262012662 394611480 /nfs/dbraw/zinc/61/14/80/394611480.db2.gz USCRPLGORFHOBI-CYBMUJFWSA-N 2 1 298.434 2.386 20 30 CEEDMP CN(C)C(=[NH+]C[C@@H](c1ccco1)[NH+]1CCCCC1)N(C)C ZINC000262276425 394615608 /nfs/dbraw/zinc/61/56/08/394615608.db2.gz LBXSFLYQMYDZSH-AWEZNQCLSA-N 2 1 292.427 2.286 20 30 CEEDMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000421867360 394621465 /nfs/dbraw/zinc/62/14/65/394621465.db2.gz BXLAPPAHSIRHAZ-GYSYKLTISA-N 2 1 263.410 2.438 20 30 CEEDMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000421867360 394621467 /nfs/dbraw/zinc/62/14/67/394621467.db2.gz BXLAPPAHSIRHAZ-GYSYKLTISA-N 2 1 263.410 2.438 20 30 CEEDMP C[NH+]=C(NC[C@@H](C)[N@@H+](C)C1CC1)N1CCc2ccccc21 ZINC000103903463 394716843 /nfs/dbraw/zinc/71/68/43/394716843.db2.gz FCOXATLXQGRWRH-CYBMUJFWSA-N 2 1 286.423 2.107 20 30 CEEDMP C#Cc1ccc(C[NH2+]CCCCN2CC[NH+](CC)CC2)cc1 ZINC000289358935 395075917 /nfs/dbraw/zinc/07/59/17/395075917.db2.gz YMISNQSRYWPPFA-UHFFFAOYSA-N 2 1 299.462 2.175 20 30 CEEDMP C#Cc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000290630681 395111472 /nfs/dbraw/zinc/11/14/72/395111472.db2.gz XWZSKQGAWHBFQU-YOEHRIQHSA-N 2 1 256.393 2.440 20 30 CEEDMP C#Cc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000290630681 395111473 /nfs/dbraw/zinc/11/14/73/395111473.db2.gz XWZSKQGAWHBFQU-YOEHRIQHSA-N 2 1 256.393 2.440 20 30 CEEDMP C#Cc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)cc1 ZINC000290630681 395111475 /nfs/dbraw/zinc/11/14/75/395111475.db2.gz XWZSKQGAWHBFQU-YOEHRIQHSA-N 2 1 256.393 2.440 20 30 CEEDMP C#Cc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)cc1 ZINC000290630681 395111476 /nfs/dbraw/zinc/11/14/76/395111476.db2.gz XWZSKQGAWHBFQU-YOEHRIQHSA-N 2 1 256.393 2.440 20 30 CEEDMP C=CCCC[N@@H+]1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC000350181704 395183803 /nfs/dbraw/zinc/18/38/03/395183803.db2.gz QKHFAAPTOYFAKU-OAHLLOKOSA-N 2 1 254.418 2.385 20 30 CEEDMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@@H](C)CCC#N)C1 ZINC000411309190 395326480 /nfs/dbraw/zinc/32/64/80/395326480.db2.gz QRXVVKPQCNQYLY-GJZGRUSLSA-N 2 1 267.417 2.111 20 30 CEEDMP C[C@@H]1C[N@H+](CCC[NH2+][C@H]2CCC[C@@H](C#N)C2)CCCO1 ZINC000446972952 395503053 /nfs/dbraw/zinc/50/30/53/395503053.db2.gz BMOKSZPDVZKPLM-OAGGEKHMSA-N 2 1 279.428 2.159 20 30 CEEDMP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CCC[C@@H](C#N)C2)CCCO1 ZINC000446972952 395503057 /nfs/dbraw/zinc/50/30/57/395503057.db2.gz BMOKSZPDVZKPLM-OAGGEKHMSA-N 2 1 279.428 2.159 20 30 CEEDMP C=CCOCCC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000658206102 415257338 /nfs/dbraw/zinc/25/73/38/415257338.db2.gz MIMJZKAYRCDYLR-RRFJBIMHSA-N 2 1 252.402 2.042 20 30 CEEDMP C[C@@H]1C[C@@H]([N@@H+](C)CCCSCC#N)CC[NH+]1C ZINC000174173138 261180911 /nfs/dbraw/zinc/18/09/11/261180911.db2.gz IAXSPNHCUNSXDR-OLZOCXBDSA-N 2 1 255.431 2.048 20 30 CEEDMP C[C@@H]1C[C@@H]([NH+](C)CCCSCC#N)CC[N@@H+]1C ZINC000174173138 261180907 /nfs/dbraw/zinc/18/09/07/261180907.db2.gz IAXSPNHCUNSXDR-OLZOCXBDSA-N 2 1 255.431 2.048 20 30 CEEDMP C[C@@H]1C[C@@H]([NH+](C)CCCSCC#N)CC[N@H+]1C ZINC000174173138 261180908 /nfs/dbraw/zinc/18/09/08/261180908.db2.gz IAXSPNHCUNSXDR-OLZOCXBDSA-N 2 1 255.431 2.048 20 30 CEEDMP C[C@@H]1C[C@@H]([N@H+](C)CCCSCC#N)CC[NH+]1C ZINC000174173138 261180910 /nfs/dbraw/zinc/18/09/10/261180910.db2.gz IAXSPNHCUNSXDR-OLZOCXBDSA-N 2 1 255.431 2.048 20 30 CEEDMP CCCCCCCCNC(=[NH2+])NCCn1cc[nH+]c1C ZINC000264089809 262868415 /nfs/dbraw/zinc/86/84/15/262868415.db2.gz KOINUZFUYWNGMY-UHFFFAOYSA-N 2 1 279.432 2.456 20 30 CEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])Nc1cc(F)ccc1F ZINC000288694757 263105606 /nfs/dbraw/zinc/10/56/06/263105606.db2.gz KJRUOFBFFCREGZ-LLVKDONJSA-N 2 1 282.338 2.176 20 30 CEEDMP C=CCCCC[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000514581043 266004049 /nfs/dbraw/zinc/00/40/49/266004049.db2.gz KKMLZDUCWDICJW-KRWDZBQOSA-N 2 1 279.472 2.443 20 30 CEEDMP C[C@@H]1C[C@H](C)[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1C[NH3+] ZINC000397386741 267088173 /nfs/dbraw/zinc/08/81/73/267088173.db2.gz MFLXBQCLICQERJ-DVOMOZLQSA-N 2 1 257.381 2.363 20 30 CEEDMP N#CCSCCC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000369838505 267271256 /nfs/dbraw/zinc/27/12/56/267271256.db2.gz WEBXMILKFOUAOG-RBSFLKMASA-N 2 1 279.453 2.049 20 30 CEEDMP N#CCSCCC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000369838505 267271259 /nfs/dbraw/zinc/27/12/59/267271259.db2.gz WEBXMILKFOUAOG-RBSFLKMASA-N 2 1 279.453 2.049 20 30 CEEDMP N#CCSCCC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000369838505 267271261 /nfs/dbraw/zinc/27/12/61/267271261.db2.gz WEBXMILKFOUAOG-RBSFLKMASA-N 2 1 279.453 2.049 20 30 CEEDMP CNC(NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)=[NH+]C ZINC000290500317 327198399 /nfs/dbraw/zinc/19/83/99/327198399.db2.gz HMWDLIDIQHMHPO-MRXNPFEDSA-N 2 1 288.439 2.084 20 30 CEEDMP C=CCOc1ccccc1C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000262142895 330000620 /nfs/dbraw/zinc/00/06/20/330000620.db2.gz ZHSVNCRBGNBDKV-QGZVFWFLSA-N 2 1 272.392 2.437 20 30 CEEDMP C=CCOc1ccccc1C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000262142895 330000621 /nfs/dbraw/zinc/00/06/21/330000621.db2.gz ZHSVNCRBGNBDKV-QGZVFWFLSA-N 2 1 272.392 2.437 20 30 CEEDMP C[C@@]1(CNC(=[NH2+])N2CCC2)CCC[N@H+]1Cc1ccccc1 ZINC000263045896 330040501 /nfs/dbraw/zinc/04/05/01/330040501.db2.gz CWOMBDBXOYGJMT-KRWDZBQOSA-N 2 1 286.423 2.062 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+]C1CCC(C(F)F)CC1 ZINC000491166880 332158526 /nfs/dbraw/zinc/15/85/26/332158526.db2.gz VBWLVRZKNGIZPJ-UHFFFAOYSA-N 2 1 258.356 2.355 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+]C1CCC(C(F)F)CC1 ZINC000491166880 332158527 /nfs/dbraw/zinc/15/85/27/332158527.db2.gz VBWLVRZKNGIZPJ-UHFFFAOYSA-N 2 1 258.356 2.355 20 30 CEEDMP CC1CCN(C(=[NH2+])NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000303266295 333339615 /nfs/dbraw/zinc/33/96/15/333339615.db2.gz VPEIKWFDCABUDP-IYBDPMFKSA-N 2 1 294.487 2.401 20 30 CEEDMP C=CCOc1ccc(C[N@H+](C)C2CC[NH2+]CC2)cc1OC ZINC000347117324 526861639 /nfs/dbraw/zinc/86/16/39/526861639.db2.gz UJAWYUVPPBYKFW-UHFFFAOYSA-N 2 1 290.407 2.444 20 30 CEEDMP C=CCOc1ccc(C[N@@H+](C)C2CC[NH2+]CC2)cc1OC ZINC000347117324 526861644 /nfs/dbraw/zinc/86/16/44/526861644.db2.gz UJAWYUVPPBYKFW-UHFFFAOYSA-N 2 1 290.407 2.444 20 30 CEEDMP C=CCC[N@H+]1CCCN(C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000981622398 613497441 /nfs/dbraw/zinc/49/74/41/613497441.db2.gz RIJBUYHFFLUWJM-UHFFFAOYSA-N 2 1 298.390 2.058 20 30 CEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C[C@@H]1C ZINC000947551590 613791319 /nfs/dbraw/zinc/79/13/19/613791319.db2.gz MTHJODTWWYXJBN-ZFWWWQNUSA-N 2 1 298.390 2.103 20 30 CEEDMP C[N@H+]1C[C@@H]2C[NH+](CC3CCC(C#N)CC3)C[C@]2(C)C1 ZINC000933733652 623983395 /nfs/dbraw/zinc/98/33/95/623983395.db2.gz HKMQRSONQRXCMY-FJBKBRRZSA-N 2 1 261.413 2.200 20 30 CEEDMP C[NH+]1C[C@@H]2C[N@H+](CC3CCC(C#N)CC3)C[C@]2(C)C1 ZINC000933733652 623983397 /nfs/dbraw/zinc/98/33/97/623983397.db2.gz HKMQRSONQRXCMY-FJBKBRRZSA-N 2 1 261.413 2.200 20 30 CEEDMP C[NH+]1C[C@@H]2C[N@@H+](CC3CCC(C#N)CC3)C[C@]2(C)C1 ZINC000933733652 623983401 /nfs/dbraw/zinc/98/34/01/623983401.db2.gz HKMQRSONQRXCMY-FJBKBRRZSA-N 2 1 261.413 2.200 20 30 CEEDMP C=C(C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000926521339 624974447 /nfs/dbraw/zinc/97/44/47/624974447.db2.gz RONLBBYQKQEGHX-GOOCMWNKSA-N 2 1 252.402 2.184 20 30 CEEDMP C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000925796663 628841774 /nfs/dbraw/zinc/84/17/74/628841774.db2.gz SJRUNBWLYAJVDE-KKUMJFAQSA-N 2 1 266.429 2.335 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000894862883 629702099 /nfs/dbraw/zinc/70/20/99/629702099.db2.gz KQZQWMKZFLLXJU-UHFFFAOYSA-N 2 1 286.419 2.099 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000894862883 629702104 /nfs/dbraw/zinc/70/21/04/629702104.db2.gz KQZQWMKZFLLXJU-UHFFFAOYSA-N 2 1 286.419 2.099 20 30 CEEDMP CC(C)C[N@H+](CCC#N)CCCN1CC[NH+](C(C)C)CC1 ZINC000800346563 631114230 /nfs/dbraw/zinc/11/42/30/631114230.db2.gz YKUYFAIHKCIBBK-UHFFFAOYSA-N 2 1 294.487 2.274 20 30 CEEDMP CC[N@H+]1CCCC[C@H]1CNC(=[NH2+])NC1CCCCCC1 ZINC000305749004 631118914 /nfs/dbraw/zinc/11/89/14/631118914.db2.gz WNJOZJJYUFHIOZ-HNNXBMFYSA-N 2 1 280.460 2.488 20 30 CEEDMP N#CC1CCC(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)CC1 ZINC000903447085 635132965 /nfs/dbraw/zinc/13/29/65/635132965.db2.gz CZNIDVVYGZSKTK-UIEKQHFFSA-N 2 1 261.413 2.376 20 30 CEEDMP C#CCCCCCC[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000877022182 639460742 /nfs/dbraw/zinc/46/07/42/639460742.db2.gz IRTFRIUFIPYKKK-JKSUJKDBSA-N 2 1 264.413 2.023 20 30 CEEDMP C#CCCCCCC[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000877022182 639460747 /nfs/dbraw/zinc/46/07/47/639460747.db2.gz IRTFRIUFIPYKKK-JKSUJKDBSA-N 2 1 264.413 2.023 20 30 CEEDMP CC(C)C[N@H+]1CCC[C@H](CNC(=[NH2+])NCC2CCC2)C1 ZINC000157397634 639487366 /nfs/dbraw/zinc/48/73/66/639487366.db2.gz SQNSQQSBDQUEDK-OAHLLOKOSA-N 2 1 280.460 2.059 20 30 CEEDMP CCN(CC)c1ccc(C=[NH+]N2CC[NH+](C)CC2)cc1 ZINC000916247982 640746815 /nfs/dbraw/zinc/74/68/15/640746815.db2.gz BXAPLRFBWDXQFJ-UHFFFAOYSA-N 2 1 274.412 2.114 20 30 CEEDMP C#C[C@@H]1CCC[NH+](C/C=C\C[N@@H+]2CCC[C@@H](C#C)C2)C1 ZINC000847020684 641525044 /nfs/dbraw/zinc/52/50/44/641525044.db2.gz CYGFUOUZQLJYNX-OSFIAYCASA-N 2 1 270.420 2.233 20 30 CEEDMP C=C(C)C[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC000996643709 642123732 /nfs/dbraw/zinc/12/37/32/642123732.db2.gz FLCBDEUXCDDPSA-INIZCTEOSA-N 2 1 293.455 2.018 20 30 CEEDMP Cc1[nH+]ccn1CCC[NH2+]Cc1csc(C#N)c1 ZINC000921557395 642241453 /nfs/dbraw/zinc/24/14/53/642241453.db2.gz MZWXGIXCMXZMMZ-UHFFFAOYSA-N 2 1 260.366 2.305 20 30 CEEDMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2csc(C#N)c2)C1 ZINC000921618625 642270686 /nfs/dbraw/zinc/27/06/86/642270686.db2.gz JKRPFWJGHPSIBH-LBPRGKRZSA-N 2 1 263.410 2.440 20 30 CEEDMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2csc(C#N)c2)C1 ZINC000921618625 642270689 /nfs/dbraw/zinc/27/06/89/642270689.db2.gz JKRPFWJGHPSIBH-LBPRGKRZSA-N 2 1 263.410 2.440 20 30 CEEDMP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H](C[NH+](C)C)OCC)C1 ZINC000922755811 643246812 /nfs/dbraw/zinc/24/68/12/643246812.db2.gz IGXBWYVOALGGNV-KFWWJZLASA-N 2 1 254.418 2.288 20 30 CEEDMP C#CCOCC[N@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000852014527 643266097 /nfs/dbraw/zinc/26/60/97/643266097.db2.gz DHMOVAXHPZIENO-OAHLLOKOSA-N 2 1 287.407 2.049 20 30 CEEDMP C=CCCCCC[N@H+](C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923315106 643655090 /nfs/dbraw/zinc/65/50/90/643655090.db2.gz FGSYJQXASMVYQF-CQSZACIVSA-N 2 1 252.402 2.043 20 30 CEEDMP C[NH+](C)Cc1ccc(C[N@@H+](C)CCOCCC#N)cc1 ZINC000859212411 645421728 /nfs/dbraw/zinc/42/17/28/645421728.db2.gz JFULJWRLKBBITC-UHFFFAOYSA-N 2 1 275.396 2.110 20 30 CEEDMP C[N@H+]1CC[C@H]([NH2+][C@@H]2Cc3ccc(C#N)cc3C2)CC1(C)C ZINC000865847552 647490810 /nfs/dbraw/zinc/49/08/10/647490810.db2.gz NAFZDAIPSIHJJD-DLBZAZTESA-N 2 1 283.419 2.488 20 30 CEEDMP C=CC[C@@H](C)[N@@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000880202847 651400871 /nfs/dbraw/zinc/40/08/71/651400871.db2.gz VPVYARFSDSGHKB-UKRRQHHQSA-N 2 1 252.402 2.184 20 30 CEEDMP C=CC[C@@H](C)[N@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000880202847 651400872 /nfs/dbraw/zinc/40/08/72/651400872.db2.gz VPVYARFSDSGHKB-UKRRQHHQSA-N 2 1 252.402 2.184 20 30 CEEDMP FC[C@@H]1CCC[N@H+](CC#CC[NH+]2CCC[C@H](CF)C2)C1 ZINC000880236930 651406380 /nfs/dbraw/zinc/40/63/80/651406380.db2.gz MJKVQGMFQZAKKC-IYBDPMFKSA-N 2 1 284.394 2.353 20 30 CEEDMP FC[C@@H]1CCC[NH+](CC#CC[N@@H+]2CCC[C@H](CF)C2)C1 ZINC000880236930 651406377 /nfs/dbraw/zinc/40/63/77/651406377.db2.gz MJKVQGMFQZAKKC-IYBDPMFKSA-N 2 1 284.394 2.353 20 30 CEEDMP FC[C@@H]1CCC[N@@H+](CC#CC[NH+]2CCC[C@H](CF)C2)C1 ZINC000880236930 651406379 /nfs/dbraw/zinc/40/63/79/651406379.db2.gz MJKVQGMFQZAKKC-IYBDPMFKSA-N 2 1 284.394 2.353 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](CCC=C)[C@H]1CCCO1 ZINC000883224159 652405762 /nfs/dbraw/zinc/40/57/62/652405762.db2.gz GLUPYRFWECEWTM-JKSUJKDBSA-N 2 1 264.413 2.045 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](CCC=C)[C@H]1CCCO1 ZINC000883224159 652405764 /nfs/dbraw/zinc/40/57/64/652405764.db2.gz GLUPYRFWECEWTM-JKSUJKDBSA-N 2 1 264.413 2.045 20 30 CEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)[C@H]1CC ZINC001087569859 805752506 /nfs/dbraw/zinc/75/25/06/805752506.db2.gz QKPBIBAKKKRQLZ-XHSDSOJGSA-N 2 1 293.455 2.014 20 30 CEEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)[C@H]1CC ZINC001087569859 805752510 /nfs/dbraw/zinc/75/25/10/805752510.db2.gz QKPBIBAKKKRQLZ-XHSDSOJGSA-N 2 1 293.455 2.014 20 30 CEEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)[C@H]1CC ZINC001087569859 805752514 /nfs/dbraw/zinc/75/25/14/805752514.db2.gz QKPBIBAKKKRQLZ-XHSDSOJGSA-N 2 1 293.455 2.014 20 30 CEEDMP C=C(C)CC[NH2+]CCCNC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001168030055 805821648 /nfs/dbraw/zinc/82/16/48/805821648.db2.gz MCGXBPZLBTUPAT-JKSUJKDBSA-N 2 1 293.455 2.065 20 30 CEEDMP C=CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001271286772 805906616 /nfs/dbraw/zinc/90/66/16/805906616.db2.gz WSFUFUXZZQIYTN-HRCADAONSA-N 2 1 295.471 2.023 20 30 CEEDMP C=C(C)C[NH2+][C@H](C)[C@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001271665441 806016632 /nfs/dbraw/zinc/01/66/32/806016632.db2.gz LCAFOKKRQAYMAA-CVEARBPZSA-N 2 1 295.471 2.121 20 30 CEEDMP C=CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001088336672 806134120 /nfs/dbraw/zinc/13/41/20/806134120.db2.gz JKBXXCVCRZTJON-HOTGVXAUSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)CC[NH2+][C@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)C(C)C ZINC001271902973 806134965 /nfs/dbraw/zinc/13/49/65/806134965.db2.gz TZIWEOQJGFGHHE-JKSUJKDBSA-N 2 1 295.471 2.025 20 30 CEEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)[C@H]1C ZINC001088563086 806419700 /nfs/dbraw/zinc/41/97/00/806419700.db2.gz CHDIAFPUULCWFF-OWCLPIDISA-N 2 1 293.455 2.014 20 30 CEEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)[C@H]1C ZINC001088563086 806419706 /nfs/dbraw/zinc/41/97/06/806419706.db2.gz CHDIAFPUULCWFF-OWCLPIDISA-N 2 1 293.455 2.014 20 30 CEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)[C@H]1C ZINC001088563086 806419713 /nfs/dbraw/zinc/41/97/13/806419713.db2.gz CHDIAFPUULCWFF-OWCLPIDISA-N 2 1 293.455 2.014 20 30 CEEDMP C[NH+]1CCC2(C[NH+](Cc3cc(F)cc(C#N)c3)C2)CC1 ZINC001139876326 802314701 /nfs/dbraw/zinc/31/47/01/802314701.db2.gz RVHNCNLRIXPLSC-UHFFFAOYSA-N 2 1 273.355 2.225 20 30 CEEDMP C=CCC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001267110381 803136480 /nfs/dbraw/zinc/13/64/80/803136480.db2.gz BBADQPOXRVUUQG-JKSUJKDBSA-N 2 1 295.471 2.072 20 30 CEEDMP C=C(C)CC[NH+]1CCC[C@@H](NC(=O)CC[N@H+](C)CCC)C1 ZINC001267620201 803625963 /nfs/dbraw/zinc/62/59/63/803625963.db2.gz YVNOEPUXRZJHGS-MRXNPFEDSA-N 2 1 295.471 2.265 20 30 CEEDMP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)CCC)C1 ZINC001267620201 803625965 /nfs/dbraw/zinc/62/59/65/803625965.db2.gz YVNOEPUXRZJHGS-MRXNPFEDSA-N 2 1 295.471 2.265 20 30 CEEDMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)CCC)C1 ZINC001267620201 803625969 /nfs/dbraw/zinc/62/59/69/803625969.db2.gz YVNOEPUXRZJHGS-MRXNPFEDSA-N 2 1 295.471 2.265 20 30 CEEDMP C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001028001906 804389559 /nfs/dbraw/zinc/38/95/59/804389559.db2.gz AKOMKQJWNRRMJX-OAHLLOKOSA-N 2 1 298.390 2.105 20 30 CEEDMP N#Cc1cc2c(cccc2NC(=[NH2+])SCC[NH3+])[nH]1 ZINC001167915824 804721661 /nfs/dbraw/zinc/72/16/61/804721661.db2.gz YIRBFELRZZICDA-UHFFFAOYSA-N 2 1 259.338 2.078 20 30 CEEDMP C=CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001284220096 804907437 /nfs/dbraw/zinc/90/74/37/804907437.db2.gz NCYLNEZHCKOHOX-HUUCEWRRSA-N 2 1 295.471 2.025 20 30 CEEDMP C=CCCC[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)CC)[C@@H](C)C1 ZINC001269981122 805301996 /nfs/dbraw/zinc/30/19/96/805301996.db2.gz JVBADJLXSGIAIF-HOTGVXAUSA-N 2 1 295.471 2.264 20 30 CEEDMP N#Cc1ccc(CCC[N@@H+]2CCC[C@@H]([NH3+])CC2)cc1 ZINC001205095256 807586739 /nfs/dbraw/zinc/58/67/39/807586739.db2.gz WHUJJHGPXZIYKA-MRXNPFEDSA-N 2 1 257.381 2.304 20 30 CEEDMP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001171539299 815187274 /nfs/dbraw/zinc/18/72/74/815187274.db2.gz RUYVMXHVWSUEFH-CVEARBPZSA-N 2 1 295.471 2.311 20 30 CEEDMP C[N@H+]1CCCC[C@@H](CNCC#Cc2ccccc2)C1 ZINC000700803084 809354723 /nfs/dbraw/zinc/35/47/23/809354723.db2.gz MZNCETNINIQSPL-KRWDZBQOSA-N 2 1 256.393 2.360 20 30 CEEDMP C[N@@H+]1CCCC[C@@H](C[NH2+]CC#Cc2ccccc2)C1 ZINC000700803084 809354730 /nfs/dbraw/zinc/35/47/30/809354730.db2.gz MZNCETNINIQSPL-KRWDZBQOSA-N 2 1 256.393 2.360 20 30 CEEDMP C[N@H+]1CCCC[C@@H](C[NH2+]CC#Cc2ccccc2)C1 ZINC000700803084 809354734 /nfs/dbraw/zinc/35/47/34/809354734.db2.gz MZNCETNINIQSPL-KRWDZBQOSA-N 2 1 256.393 2.360 20 30 CEEDMP N#Cc1ccc(CCC[N@H+]2CC[C@@H](F)[C@@H](N)CC2)cc1 ZINC001206157135 815298026 /nfs/dbraw/zinc/29/80/26/815298026.db2.gz WGMKMIUCSUOVHB-CVEARBPZSA-N 2 1 275.371 2.252 20 30 CEEDMP N#Cc1ccc(CCC[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)cc1 ZINC001206157135 815298029 /nfs/dbraw/zinc/29/80/29/815298029.db2.gz WGMKMIUCSUOVHB-CVEARBPZSA-N 2 1 275.371 2.252 20 30 CEEDMP N#Cc1ccc(CCC[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)cc1 ZINC001206157135 815298032 /nfs/dbraw/zinc/29/80/32/815298032.db2.gz WGMKMIUCSUOVHB-CVEARBPZSA-N 2 1 275.371 2.252 20 30 CEEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001015035045 810255233 /nfs/dbraw/zinc/25/52/33/810255233.db2.gz YESZVVKGVLOUNZ-AWEZNQCLSA-N 2 1 298.390 2.023 20 30 CEEDMP C[C@@H](Cc1ccc(C#N)cc1)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC001172295412 815387002 /nfs/dbraw/zinc/38/70/02/815387002.db2.gz RFCOHPBMJUNODD-YOEHRIQHSA-N 2 1 271.408 2.421 20 30 CEEDMP C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001038322514 810821476 /nfs/dbraw/zinc/82/14/76/810821476.db2.gz SAFWKDQOYMBJBR-HOTGVXAUSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001038322514 810821483 /nfs/dbraw/zinc/82/14/83/810821483.db2.gz SAFWKDQOYMBJBR-HOTGVXAUSA-N 2 1 293.455 2.018 20 30 CEEDMP C#Cc1cccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC001169101489 811373907 /nfs/dbraw/zinc/37/39/07/811373907.db2.gz STAXHSRACMBIET-BJWYYQGGSA-N 2 1 254.377 2.383 20 30 CEEDMP C#CCCC1(CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)N=N1 ZINC001169124652 811392393 /nfs/dbraw/zinc/39/23/93/811392393.db2.gz RYKXEUOIWMXIIP-BTTYYORXSA-N 2 1 260.385 2.167 20 30 CEEDMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCOc1cccc(C#N)c1)C2 ZINC001169114803 811406651 /nfs/dbraw/zinc/40/66/51/811406651.db2.gz YSHASJAOWXKXAY-PHZGNYQRSA-N 2 1 285.391 2.152 20 30 CEEDMP CC[NH+]1CCC([NH2+]CCOc2ccccc2C#N)CC1 ZINC001169233838 811448455 /nfs/dbraw/zinc/44/84/55/811448455.db2.gz VVPDMWZKCJGSGP-UHFFFAOYSA-N 2 1 273.380 2.011 20 30 CEEDMP C=CCCCCC[NH2+]CCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001129840501 812515517 /nfs/dbraw/zinc/51/55/17/812515517.db2.gz GVSKBSLXSKYJFC-MRXNPFEDSA-N 2 1 295.471 2.313 20 30 CEEDMP C=C(C)C[NH+]1C[C@H](NC(=O)C[N@H+](C)C2CCC2)CC[C@@H]1C ZINC001132105838 812788230 /nfs/dbraw/zinc/78/82/30/812788230.db2.gz NOTSQATYSAYTHY-LSDHHAIUSA-N 2 1 293.455 2.016 20 30 CEEDMP C=C(C)C[NH+]1C[C@H](NC(=O)C[N@@H+](C)C2CCC2)CC[C@@H]1C ZINC001132105838 812788233 /nfs/dbraw/zinc/78/82/33/812788233.db2.gz NOTSQATYSAYTHY-LSDHHAIUSA-N 2 1 293.455 2.016 20 30 CEEDMP C=C(C)C[NH+]1C[C@H](NC(=O)C(C)(C)[N@H+](C)CC)CC[C@@H]1C ZINC001132153683 812791155 /nfs/dbraw/zinc/79/11/55/812791155.db2.gz SVUYAUXKAWQHQL-LSDHHAIUSA-N 2 1 295.471 2.262 20 30 CEEDMP C=C(C)C[N@@H+]1C[C@H](NC(=O)C(C)(C)[NH+](C)CC)CC[C@@H]1C ZINC001132153683 812791159 /nfs/dbraw/zinc/79/11/59/812791159.db2.gz SVUYAUXKAWQHQL-LSDHHAIUSA-N 2 1 295.471 2.262 20 30 CEEDMP C=C(C)C[N@H+]1C[C@H](NC(=O)C(C)(C)[NH+](C)CC)CC[C@@H]1C ZINC001132153683 812791162 /nfs/dbraw/zinc/79/11/62/812791162.db2.gz SVUYAUXKAWQHQL-LSDHHAIUSA-N 2 1 295.471 2.262 20 30 CEEDMP C=CCCC[N@@H+]1C[C@H](NC(=O)CCC[NH+](C)C)CC[C@@H]1C ZINC001132248827 812810556 /nfs/dbraw/zinc/81/05/56/812810556.db2.gz JHSPHEADZBRJFU-JKSUJKDBSA-N 2 1 295.471 2.264 20 30 CEEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)CC[C@H]1C ZINC001132377737 812838282 /nfs/dbraw/zinc/83/82/82/812838282.db2.gz ZUVWHLDLQZMZQD-CVEARBPZSA-N 2 1 295.471 2.264 20 30 CEEDMP C=CC[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)CC[C@@H]1C ZINC001132517419 812869993 /nfs/dbraw/zinc/86/99/93/812869993.db2.gz CCAVAFSADUEDDX-HOTGVXAUSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CC[N@@H+]1C[C@H](NC(=O)CC[NH+]2CCCCC2)CC[C@@H]1C ZINC001132517421 812870564 /nfs/dbraw/zinc/87/05/64/812870564.db2.gz CCAVAFSADUEDDX-JKSUJKDBSA-N 2 1 293.455 2.018 20 30 CEEDMP CCCCCCC[NH2+]CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001133849600 813166367 /nfs/dbraw/zinc/16/63/67/813166367.db2.gz AJKUQAXTKKXDMP-OAHLLOKOSA-N 2 1 283.460 2.004 20 30 CEEDMP C=C(C)CC[NH2+][C@H](C)C[C@H](C)NC(=O)CC[N@H+](C)CC ZINC001135860318 813547979 /nfs/dbraw/zinc/54/79/79/813547979.db2.gz ADGOAHZFHGELAM-CABCVRRESA-N 2 1 283.460 2.167 20 30 CEEDMP C=C(C)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC[N@H+](C)CCC ZINC001135995825 813583354 /nfs/dbraw/zinc/58/33/54/813583354.db2.gz LNBSWWJQEJFEAC-LSDHHAIUSA-N 2 1 283.460 2.167 20 30 CEEDMP Cc1cnccc1O[C@@H]1CC[N@H+](Cc2ccc(C#N)cn2)C1 ZINC001144169845 813979836 /nfs/dbraw/zinc/97/98/36/813979836.db2.gz ZOPKSDWCKAYNHX-MRXNPFEDSA-N 2 1 294.358 2.310 20 30 CEEDMP Cc1cnccc1O[C@@H]1CC[N@@H+](Cc2ccc(C#N)cn2)C1 ZINC001144169845 813979845 /nfs/dbraw/zinc/97/98/45/813979845.db2.gz ZOPKSDWCKAYNHX-MRXNPFEDSA-N 2 1 294.358 2.310 20 30 CEEDMP C=CCC[C@H](C)[NH2+]C1CC(CNC(=O)CC[N@H+](C)CC)C1 ZINC001100829668 814196811 /nfs/dbraw/zinc/19/68/11/814196811.db2.gz GHAKPKNXQUZQDN-FHERZECASA-N 2 1 295.471 2.167 20 30 CEEDMP C=CCCC[NH2+][C@H](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001146331698 814275134 /nfs/dbraw/zinc/27/51/34/814275134.db2.gz CVXNKJNUWVGDFF-KGLIPLIRSA-N 2 1 292.427 2.031 20 30 CEEDMP CCCCCCC[NH2+]CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001147900463 814511395 /nfs/dbraw/zinc/51/13/95/814511395.db2.gz NZPGJCKMWAZNBO-OAHLLOKOSA-N 2 1 283.460 2.004 20 30 CEEDMP C=CC[NH2+]C1CCN(C(=O)C[N@H+](C)CCCCCC)CC1 ZINC001202974222 816119661 /nfs/dbraw/zinc/11/96/61/816119661.db2.gz SSSSKPIEJMAKKP-UHFFFAOYSA-N 2 1 295.471 2.265 20 30 CEEDMP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001176164334 816366039 /nfs/dbraw/zinc/36/60/39/816366039.db2.gz ARNZOOPSHXETTP-CVEARBPZSA-N 2 1 295.471 2.169 20 30 CEEDMP C=CCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001176563622 816441470 /nfs/dbraw/zinc/44/14/70/816441470.db2.gz GGMXYBGQFOGPGA-HZPDHXFCSA-N 2 1 295.471 2.169 20 30 CEEDMP C=C(C)C[NH2+]CCCCCCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001179587366 816881564 /nfs/dbraw/zinc/88/15/64/816881564.db2.gz ZTWSRTDGTITFLW-MRXNPFEDSA-N 2 1 295.471 2.171 20 30 CEEDMP C=CCC[NH2+]CCCCCCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001179586016 816884820 /nfs/dbraw/zinc/88/48/20/816884820.db2.gz LNGZMKCYZHMPEI-MRXNPFEDSA-N 2 1 295.471 2.171 20 30 CEEDMP CC#CC[N@H+](C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000080967821 344030977 /nfs/dbraw/zinc/03/09/77/344030977.db2.gz ACLDNGZIXDMKOR-UHFFFAOYSA-N 2 1 272.396 2.017 20 30 CEEDMP CC#CC[N@@H+](C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000080967821 344030980 /nfs/dbraw/zinc/03/09/80/344030980.db2.gz ACLDNGZIXDMKOR-UHFFFAOYSA-N 2 1 272.396 2.017 20 30 CEEDMP C[NH+]=C(NCC[C@H](C)[N@@H+](C)Cc1ccccc1)NC1CC1 ZINC000081777950 344064385 /nfs/dbraw/zinc/06/43/85/344064385.db2.gz HKAPJMLEQLTNST-AWEZNQCLSA-N 2 1 288.439 2.224 20 30 CEEDMP CC(C)[N@H+](C)CCC[NH2+][C@H](C)CC1(C#N)CCOCC1 ZINC000602512790 347062841 /nfs/dbraw/zinc/06/28/41/347062841.db2.gz ZCDOKGYUPDXOAP-OAHLLOKOSA-N 2 1 281.444 2.405 20 30 CEEDMP N#C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)C1 ZINC000595073182 345739688 /nfs/dbraw/zinc/73/96/88/345739688.db2.gz SXMODRFFERNGTB-KURKYZTESA-N 2 1 299.418 2.035 20 30 CEEDMP N#Cc1cnccc1C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595900605 345910221 /nfs/dbraw/zinc/91/02/21/345910221.db2.gz IAVBKIREWADJEW-OAHLLOKOSA-N 2 1 284.407 2.165 20 30 CEEDMP C[N@@H+]1CCC[C@@]2(CC[NH+](CCOc3cccc(C#N)c3)C2)C1 ZINC000339430767 215165514 /nfs/dbraw/zinc/16/55/14/215165514.db2.gz MWEJHLIWAWEQGD-GOSISDBHSA-N 2 1 299.418 2.355 20 30 CEEDMP C[N@H+]1CCC[C@@]2(CC[NH+](CCOc3cccc(C#N)c3)C2)C1 ZINC000339430767 215165515 /nfs/dbraw/zinc/16/55/15/215165515.db2.gz MWEJHLIWAWEQGD-GOSISDBHSA-N 2 1 299.418 2.355 20 30 CEEDMP C[NH+]1CCC[C@@]2(CC[N@H+](CCOc3cccc(C#N)c3)C2)C1 ZINC000339430767 215165517 /nfs/dbraw/zinc/16/55/17/215165517.db2.gz MWEJHLIWAWEQGD-GOSISDBHSA-N 2 1 299.418 2.355 20 30 CEEDMP C[NH+]1CCC[C@@]2(CC[N@@H+](CCOc3cccc(C#N)c3)C2)C1 ZINC000339430767 215165519 /nfs/dbraw/zinc/16/55/19/215165519.db2.gz MWEJHLIWAWEQGD-GOSISDBHSA-N 2 1 299.418 2.355 20 30 CEEDMP C=CC[NH+]1CCC([NH2+]C[C@@H](O)CCc2ccccc2)CC1 ZINC000573834264 334970312 /nfs/dbraw/zinc/97/03/12/334970312.db2.gz VTTLCAZHNMCBLP-SFHVURJKSA-N 2 1 288.435 2.220 20 30 CEEDMP C=CCCC[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629560538 351414511 /nfs/dbraw/zinc/41/45/11/351414511.db2.gz FOGJBVBLNYRCDX-WDEREUQCSA-N 2 1 250.308 2.412 20 30 CEEDMP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccc(C#N)cc3)C2)C1 ZINC000292088169 198157936 /nfs/dbraw/zinc/15/79/36/198157936.db2.gz GJJLIFVNHABXHY-MRXNPFEDSA-N 2 1 255.365 2.086 20 30 CEEDMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccc(C#N)cc3)C2)C1 ZINC000292088169 198157937 /nfs/dbraw/zinc/15/79/37/198157937.db2.gz GJJLIFVNHABXHY-MRXNPFEDSA-N 2 1 255.365 2.086 20 30 CEEDMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccc(C#N)cc3)C2)C1 ZINC000292088169 198157939 /nfs/dbraw/zinc/15/79/39/198157939.db2.gz GJJLIFVNHABXHY-MRXNPFEDSA-N 2 1 255.365 2.086 20 30 CEEDMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccc(C#N)cc3)C2)C1 ZINC000292088169 198157940 /nfs/dbraw/zinc/15/79/40/198157940.db2.gz GJJLIFVNHABXHY-MRXNPFEDSA-N 2 1 255.365 2.086 20 30 CEEDMP Cc1[nH+]ccn1CCC[N@@H+](C)CCOc1ccccc1C#N ZINC000136304928 366507600 /nfs/dbraw/zinc/50/76/00/366507600.db2.gz RXZZMDRCKOLQIR-UHFFFAOYSA-N 2 1 298.390 2.464 20 30 CEEDMP Cc1[nH+]ccn1CCC[N@H+](C)CCOc1ccccc1C#N ZINC000136304928 366507606 /nfs/dbraw/zinc/50/76/06/366507606.db2.gz RXZZMDRCKOLQIR-UHFFFAOYSA-N 2 1 298.390 2.464 20 30 CEEDMP C#CCOc1ccccc1C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000179636084 189209398 /nfs/dbraw/zinc/20/93/98/189209398.db2.gz NTNXLBBYXFQSOH-OAHLLOKOSA-N 2 1 272.392 2.082 20 30 CEEDMP C#CCOc1ccccc1C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000179636084 189209399 /nfs/dbraw/zinc/20/93/99/189209399.db2.gz NTNXLBBYXFQSOH-OAHLLOKOSA-N 2 1 272.392 2.082 20 30 CEEDMP C=CCc1cc(C[NH2+]CCC[NH+]2CCC2)cc(OC)c1O ZINC000580094842 366750917 /nfs/dbraw/zinc/75/09/17/366750917.db2.gz XTIRMADGKVDWGB-UHFFFAOYSA-N 2 1 290.407 2.315 20 30 CEEDMP C[N@H+]1CCC[C@@H]2C[NH+](CCCSCC#N)CC[C@@H]21 ZINC000158748484 366860472 /nfs/dbraw/zinc/86/04/72/366860472.db2.gz RZCUEAOXLLILQV-KGLIPLIRSA-N 2 1 267.442 2.049 20 30 CEEDMP C[NH+]1CCC[C@@H]2C[N@H+](CCCSCC#N)CC[C@@H]21 ZINC000158748484 366860476 /nfs/dbraw/zinc/86/04/76/366860476.db2.gz RZCUEAOXLLILQV-KGLIPLIRSA-N 2 1 267.442 2.049 20 30 CEEDMP C[NH+]1CCC[C@@H]2C[N@@H+](CCCSCC#N)CC[C@@H]21 ZINC000158748484 366860480 /nfs/dbraw/zinc/86/04/80/366860480.db2.gz RZCUEAOXLLILQV-KGLIPLIRSA-N 2 1 267.442 2.049 20 30 CEEDMP CN(Cc1cccc(C#N)c1)C[C@H]1CCC[N@@H+](C)C1 ZINC000170884186 367441323 /nfs/dbraw/zinc/44/13/23/367441323.db2.gz LOEWHROCOSKJND-INIZCTEOSA-N 2 1 257.381 2.332 20 30 CEEDMP C[N@@H+](Cc1cccc(C#N)c1)C[C@H]1CCC[NH+](C)C1 ZINC000170884186 367441331 /nfs/dbraw/zinc/44/13/31/367441331.db2.gz LOEWHROCOSKJND-INIZCTEOSA-N 2 1 257.381 2.332 20 30 CEEDMP C[N@H+](Cc1cccc(C#N)c1)C[C@H]1CCC[NH+](C)C1 ZINC000170884186 367441335 /nfs/dbraw/zinc/44/13/35/367441335.db2.gz LOEWHROCOSKJND-INIZCTEOSA-N 2 1 257.381 2.332 20 30 CEEDMP C[NH+](Cc1cccc(C#N)c1)C[C@H]1CCC[N@H+](C)C1 ZINC000170884186 367441341 /nfs/dbraw/zinc/44/13/41/367441341.db2.gz LOEWHROCOSKJND-INIZCTEOSA-N 2 1 257.381 2.332 20 30 CEEDMP C=CCN(CC=C)C(=O)[C@@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000173617052 367927372 /nfs/dbraw/zinc/92/73/72/367927372.db2.gz IABBDXQYMVMCOT-OAHLLOKOSA-N 2 1 293.455 2.038 20 30 CEEDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccc(C#N)o1 ZINC000174350455 368013992 /nfs/dbraw/zinc/01/39/92/368013992.db2.gz OQDRCHGMNXGNHA-LLVKDONJSA-N 2 1 258.325 2.082 20 30 CEEDMP CC1CC[NH+](CCC[NH2+]Cc2cc(C#N)n(C)c2)CC1 ZINC000189579315 369542153 /nfs/dbraw/zinc/54/21/53/369542153.db2.gz OPZFZXCYLDIMGF-UHFFFAOYSA-N 2 1 274.412 2.108 20 30 CEEDMP C=CC[NH+]1CCC([NH2+]C[C@](C)(OC)C2CC2)CC1 ZINC000638524827 370590283 /nfs/dbraw/zinc/59/02/83/370590283.db2.gz SQTKEKVMWAZOBP-HNNXBMFYSA-N 2 1 252.402 2.042 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@](C)(OC)C2CC2)CC1 ZINC000638524462 370590803 /nfs/dbraw/zinc/59/08/03/370590803.db2.gz OKFKLHQGZXUCDJ-INIZCTEOSA-N 2 1 266.429 2.432 20 30 CEEDMP CN(C)C(=[NH2+])NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000246852769 371021498 /nfs/dbraw/zinc/02/14/98/371021498.db2.gz CEZNZLNMMZYBEC-AAEUAGOBSA-N 2 1 280.441 2.007 20 30 CEEDMP C=CCOc1ccc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000261683997 371701443 /nfs/dbraw/zinc/70/14/43/371701443.db2.gz AMXIVJCKQVGHAY-KRWDZBQOSA-N 2 1 272.392 2.437 20 30 CEEDMP C=CCOc1ccc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000261683997 371701448 /nfs/dbraw/zinc/70/14/48/371701448.db2.gz AMXIVJCKQVGHAY-KRWDZBQOSA-N 2 1 272.392 2.437 20 30 CEEDMP Cc1cc(C)cc(NC(=[NH2+])NC[C@H]2CCC[N@@H+]2C)c1 ZINC000264106785 371970171 /nfs/dbraw/zinc/97/01/71/371970171.db2.gz PTFYMUQYPFAMHP-CQSZACIVSA-N 2 1 260.385 2.124 20 30 CEEDMP CCc1cccc(NC(=[NH2+])NC[C@@H](C)[N@@H+](C)C2CC2)c1 ZINC000264238261 371987906 /nfs/dbraw/zinc/98/79/06/371987906.db2.gz DQSFGHIHBBTODX-GFCCVEGCSA-N 2 1 274.412 2.458 20 30 CEEDMP C=CC[C@@H](CC)[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000644638945 373577286 /nfs/dbraw/zinc/57/72/86/373577286.db2.gz LNFUDHNACXQQGM-IAGOWNOFSA-N 2 1 276.424 2.424 20 30 CEEDMP C=CC[C@@H](CC)[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000644638945 373577296 /nfs/dbraw/zinc/57/72/96/373577296.db2.gz LNFUDHNACXQQGM-IAGOWNOFSA-N 2 1 276.424 2.424 20 30 CEEDMP C[C@H]([NH2+]CCc1cccc(C#N)c1)[C@@H]1CCCC[NH2+]1 ZINC000423097595 376991230 /nfs/dbraw/zinc/99/12/30/376991230.db2.gz JMHSBDWKSMXGGM-BBRMVZONSA-N 2 1 257.381 2.221 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCc2ccc(OC)cc2C1 ZINC000295105127 378041413 /nfs/dbraw/zinc/04/14/13/378041413.db2.gz WPLWWZZHLBAIQA-KRWDZBQOSA-N 2 1 286.419 2.097 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCc2ccc(OC)cc2C1 ZINC000295105127 378041420 /nfs/dbraw/zinc/04/14/20/378041420.db2.gz WPLWWZZHLBAIQA-KRWDZBQOSA-N 2 1 286.419 2.097 20 30 CEEDMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(C#N)c(OC)c2)C1 ZINC000281717723 195349422 /nfs/dbraw/zinc/34/94/22/195349422.db2.gz OZWZLOZSGOMMLA-OAHLLOKOSA-N 2 1 287.407 2.388 20 30 CEEDMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(C#N)c(OC)c2)C1 ZINC000281717723 195349424 /nfs/dbraw/zinc/34/94/24/195349424.db2.gz OZWZLOZSGOMMLA-OAHLLOKOSA-N 2 1 287.407 2.388 20 30 CEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCCc1ccccc1 ZINC000104153211 394717790 /nfs/dbraw/zinc/71/77/90/394717790.db2.gz SXDLHTVDABXPQJ-INIZCTEOSA-N 2 1 288.439 2.008 20 30 CEEDMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCSCc1ccccc1C#N ZINC000422989494 394874752 /nfs/dbraw/zinc/87/47/52/394874752.db2.gz LYXBTTHDGJDLNE-CZUORRHYSA-N 2 1 289.448 2.379 20 30 CEEDMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]3O[C@@H](CC#N)C[C@@H]32)C1 ZINC000362236450 394850066 /nfs/dbraw/zinc/85/00/66/394850066.db2.gz FQWXFVMUZRJOGV-JJTUDDRGSA-N 2 1 291.439 2.158 20 30 CEEDMP C=CCNC(=[NH2+])NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000153556152 395010345 /nfs/dbraw/zinc/01/03/45/395010345.db2.gz HZUBFDREHRWKQM-QGZVFWFLSA-N 2 1 286.423 2.131 20 30 CEEDMP Cc1cc(C[NH2+]CCC[NH+]2CCCC2)ccc1C#N ZINC000443979946 395408417 /nfs/dbraw/zinc/40/84/17/395408417.db2.gz LKOFTIWCJHCPLV-UHFFFAOYSA-N 2 1 257.381 2.442 20 30 CEEDMP C=CC[C@H]1CC[C@H]([NH2+]CCCN2CCC[N@H+](C)CC2)C1 ZINC000651952924 401423254 /nfs/dbraw/zinc/42/32/54/401423254.db2.gz IETLKLYORKZOFO-IRXDYDNUSA-N 2 1 279.472 2.348 20 30 CEEDMP C=CC[N@@H+](Cc1ccc2c(c1)C[NH2+]CC2)[C@H](C)COC ZINC000662299742 415762137 /nfs/dbraw/zinc/76/21/37/415762137.db2.gz WOTJUFOZWWIIHH-CQSZACIVSA-N 2 1 274.408 2.355 20 30 CEEDMP C=CC[N@@H+](Cc1cccc2c1CC[NH2+]C2)[C@@H](C)COC ZINC000662299707 415763217 /nfs/dbraw/zinc/76/32/17/415763217.db2.gz VUEUMGMGMNMBPJ-AWEZNQCLSA-N 2 1 274.408 2.355 20 30 CEEDMP C=CCCCC[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662325204 415781097 /nfs/dbraw/zinc/78/10/97/415781097.db2.gz CPRNVPVSLNXXNK-OAHLLOKOSA-N 2 1 254.418 2.385 20 30 CEEDMP C=CC[C@]1(C(=O)NC[C@H](C)[N@H+]2CCCC[C@H]2C)CCC[NH2+]1 ZINC000662680423 415928992 /nfs/dbraw/zinc/92/89/92/415928992.db2.gz VAEAWRNLIZNABS-HLLBOEOZSA-N 2 1 293.455 2.064 20 30 CEEDMP C=CC[C@]1(C(=O)NCCC[N@@H+]2CCCC[C@H]2C)CCC[NH2+]1 ZINC000662668534 415926726 /nfs/dbraw/zinc/92/67/26/415926726.db2.gz OJJIYZJRMXDSAA-NVXWUHKLSA-N 2 1 293.455 2.065 20 30 CEEDMP C=C(C)C[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000364340000 262209747 /nfs/dbraw/zinc/20/97/47/262209747.db2.gz FNIAQTUGVIVSAZ-SOUVJXGZSA-N 2 1 252.402 2.042 20 30 CEEDMP CNC(=[NH2+])NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000264106868 262872468 /nfs/dbraw/zinc/87/24/68/262872468.db2.gz PUUNQYUXMVUAIS-UHFFFAOYSA-N 2 1 288.439 2.485 20 30 CEEDMP C#Cc1ccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1 ZINC000368024414 267136401 /nfs/dbraw/zinc/13/64/01/267136401.db2.gz UIBIHNLGCGJBOV-CEXWTWQISA-N 2 1 298.430 2.351 20 30 CEEDMP CN(C)C(=[NH+]C[C@@H]1CC[N@@H+](C)[C@H]1c1cccs1)N(C)C ZINC000370163356 267296442 /nfs/dbraw/zinc/29/64/42/267296442.db2.gz SJLALFCEHXSQEL-GXTWGEPZSA-N 2 1 294.468 2.220 20 30 CEEDMP CC(C)NC(=[NH2+])NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000262417095 330009008 /nfs/dbraw/zinc/00/90/08/330009008.db2.gz QIVYDSRUQPRXBG-TZMCWYRMSA-N 2 1 294.468 2.444 20 30 CEEDMP C=CC[NH+]1CCC(NC(=O)C[N@H+](C)CCCCCC)CC1 ZINC000732289650 574618412 /nfs/dbraw/zinc/61/84/12/574618412.db2.gz VGDMKTVFBIPPNK-UHFFFAOYSA-N 2 1 295.471 2.265 20 30 CEEDMP C=CCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC000968780314 613490317 /nfs/dbraw/zinc/49/03/17/613490317.db2.gz CQALQSXUIJCILV-CVEARBPZSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC000968780314 613490319 /nfs/dbraw/zinc/49/03/19/613490319.db2.gz CQALQSXUIJCILV-CVEARBPZSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC000968780314 613490322 /nfs/dbraw/zinc/49/03/22/613490322.db2.gz CQALQSXUIJCILV-CVEARBPZSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001024811999 625832585 /nfs/dbraw/zinc/83/25/85/625832585.db2.gz ISFNDTQYTMZVBT-HOTGVXAUSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)C[NH+]1CCC(N[C@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000902364987 634619633 /nfs/dbraw/zinc/61/96/33/634619633.db2.gz VZFHNWACOWZVQP-INIZCTEOSA-N 2 1 279.472 2.395 20 30 CEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH+]C)N1CC[C@](C)(CC)C1 ZINC000261772234 629189852 /nfs/dbraw/zinc/18/98/52/629189852.db2.gz OFAUVVWYUOGVIM-ZBFHGGJFSA-N 2 1 280.460 2.168 20 30 CEEDMP CCCC[N@H+]1CCCC[C@@H]1CNC(=[NH2+])N1CCCCC1 ZINC000303902678 631093648 /nfs/dbraw/zinc/09/36/48/631093648.db2.gz XZGSQBHAEKLTQC-OAHLLOKOSA-N 2 1 280.460 2.442 20 30 CEEDMP Cc1cc(C#N)cc(C)c1C[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000903461076 635126477 /nfs/dbraw/zinc/12/64/77/635126477.db2.gz OLMTWPWOQFICQP-DZGCQCFKSA-N 2 1 257.381 2.487 20 30 CEEDMP N#Cc1ccc([C@H]2C[N@@H+](C[C@H]3CC[C@@H]([NH3+])C3)CCO2)cc1 ZINC000903823411 635291122 /nfs/dbraw/zinc/29/11/22/635291122.db2.gz GPQSQMVKNOJHKK-USXIJHARSA-N 2 1 285.391 2.059 20 30 CEEDMP N#Cc1ccc([C@@H]2C[N@@H+](CC[C@H]3CCC[NH2+]C3)CCO2)cc1 ZINC000903825006 635292716 /nfs/dbraw/zinc/29/27/16/635292716.db2.gz XAZAPLWWXCVIMI-AEFFLSMTSA-N 2 1 299.418 2.321 20 30 CEEDMP C[C@H]([NH2+]C[C@@H]([NH3+])CC(F)F)c1cccc(C#N)c1 ZINC000903950638 635384011 /nfs/dbraw/zinc/38/40/11/635384011.db2.gz PKZXAUMQXLTKCV-CABZTGNLSA-N 2 1 253.296 2.191 20 30 CEEDMP CC(C)(Cc1ccc(C#N)cc1)[NH2+]C[C@@H]([NH3+])CC(F)F ZINC000903988649 635407109 /nfs/dbraw/zinc/40/71/09/635407109.db2.gz VZFNJDCOLDQURL-ZDUSSCGKSA-N 2 1 281.350 2.451 20 30 CEEDMP C#CCCCCCC[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000877022179 650534940 /nfs/dbraw/zinc/53/49/40/650534940.db2.gz IRTFRIUFIPYKKK-CVEARBPZSA-N 2 1 264.413 2.023 20 30 CEEDMP C#CCCCCCC[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000877022179 650534942 /nfs/dbraw/zinc/53/49/42/650534942.db2.gz IRTFRIUFIPYKKK-CVEARBPZSA-N 2 1 264.413 2.023 20 30 CEEDMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000842152784 639966635 /nfs/dbraw/zinc/96/66/35/639966635.db2.gz JGVVLWVNRQJREG-KRWDZBQOSA-N 2 1 298.390 2.119 20 30 CEEDMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000842152784 639966638 /nfs/dbraw/zinc/96/66/38/639966638.db2.gz JGVVLWVNRQJREG-KRWDZBQOSA-N 2 1 298.390 2.119 20 30 CEEDMP C[NH+]=C(NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1)NC1CC1 ZINC000848997279 642216853 /nfs/dbraw/zinc/21/68/53/642216853.db2.gz UCQUMLXFKOGUOY-BETUJISGSA-N 2 1 280.460 2.070 20 30 CEEDMP N#Cc1cc(C[NH2+]C[C@H]2CCc3[nH+]ccn3C2)cs1 ZINC000922025836 642847105 /nfs/dbraw/zinc/84/71/05/642847105.db2.gz OWSRGIMDXNZLBN-LLVKDONJSA-N 2 1 272.377 2.168 20 30 CEEDMP C#CCOCC[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000851751180 643146729 /nfs/dbraw/zinc/14/67/29/643146729.db2.gz OPRNKOCLSPKPNC-QGZVFWFLSA-N 2 1 278.440 2.224 20 30 CEEDMP C#CCOCC[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000851751180 643146733 /nfs/dbraw/zinc/14/67/33/643146733.db2.gz OPRNKOCLSPKPNC-QGZVFWFLSA-N 2 1 278.440 2.224 20 30 CEEDMP C=CCC[C@@H](O)C[N@H+](CCC[NH3+])CC1CCCC1 ZINC000923352298 643676828 /nfs/dbraw/zinc/67/68/28/643676828.db2.gz CQWFSBCZVYMPPJ-OAHLLOKOSA-N 2 1 254.418 2.155 20 30 CEEDMP COc1ccc(C(N)=[NH+]OCC[C@H]2CCCC[N@@H+]2C)cc1 ZINC000769378896 646254718 /nfs/dbraw/zinc/25/47/18/646254718.db2.gz VXWZIMXBYGKNAQ-CQSZACIVSA-N 2 1 291.395 2.207 20 30 CEEDMP COc1ccc(C(N)=[NH+]OCC[C@H]2CCCC[N@H+]2C)cc1 ZINC000769378896 646254727 /nfs/dbraw/zinc/25/47/27/646254727.db2.gz VXWZIMXBYGKNAQ-CQSZACIVSA-N 2 1 291.395 2.207 20 30 CEEDMP C#CC[C@H]1CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000862444524 646461585 /nfs/dbraw/zinc/46/15/85/646461585.db2.gz BKHFILKVYMWXPE-KRWDZBQOSA-N 2 1 297.446 2.284 20 30 CEEDMP Cc1[nH+]ccn1CC[N@@H+](C)CCc1cccc(C#N)c1 ZINC000879432287 651302753 /nfs/dbraw/zinc/30/27/53/651302753.db2.gz HFFKJALFIFPUIB-UHFFFAOYSA-N 2 1 268.364 2.238 20 30 CEEDMP Cc1[nH+]ccn1CC[N@H+](C)CCc1cccc(C#N)c1 ZINC000879432287 651302754 /nfs/dbraw/zinc/30/27/54/651302754.db2.gz HFFKJALFIFPUIB-UHFFFAOYSA-N 2 1 268.364 2.238 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(SC)c(OC)c1 ZINC000883131730 652372529 /nfs/dbraw/zinc/37/25/29/652372529.db2.gz PQQWVHLKWJEPGG-UHFFFAOYSA-N 2 1 292.448 2.462 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(SC)c(OC)c1 ZINC000883131730 652372533 /nfs/dbraw/zinc/37/25/33/652372533.db2.gz PQQWVHLKWJEPGG-UHFFFAOYSA-N 2 1 292.448 2.462 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@H](CCC=C)[C@H]1CCCO1 ZINC000883224158 652405699 /nfs/dbraw/zinc/40/56/99/652405699.db2.gz GLUPYRFWECEWTM-HZPDHXFCSA-N 2 1 264.413 2.045 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](CCC=C)[C@H]1CCCO1 ZINC000883224158 652405701 /nfs/dbraw/zinc/40/57/01/652405701.db2.gz GLUPYRFWECEWTM-HZPDHXFCSA-N 2 1 264.413 2.045 20 30 CEEDMP C=C(C)CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001270967571 805700884 /nfs/dbraw/zinc/70/08/84/805700884.db2.gz KAVDXOGZFLJKQZ-OWCLPIDISA-N 2 1 295.471 2.119 20 30 CEEDMP C=CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001271075295 805734156 /nfs/dbraw/zinc/73/41/56/805734156.db2.gz LXGDBMLEUSTQFY-HZPDHXFCSA-N 2 1 295.471 2.121 20 30 CEEDMP C=C(C)CC[NH2+][C@H](C)[C@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001271540115 805988366 /nfs/dbraw/zinc/98/83/66/805988366.db2.gz PHUDCOYJNJDQNJ-CVEARBPZSA-N 2 1 295.471 2.121 20 30 CEEDMP C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001088279221 806080540 /nfs/dbraw/zinc/08/05/40/806080540.db2.gz NFFZCEPELGULNR-HZPDHXFCSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)[C@H]1C ZINC001088666380 806585453 /nfs/dbraw/zinc/58/54/53/806585453.db2.gz FVBQSYQLBOWRQL-OWCLPIDISA-N 2 1 293.455 2.016 20 30 CEEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)[C@H]1C ZINC001088666380 806585460 /nfs/dbraw/zinc/58/54/60/806585460.db2.gz FVBQSYQLBOWRQL-OWCLPIDISA-N 2 1 293.455 2.016 20 30 CEEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)[C@H]1C ZINC001088666380 806585467 /nfs/dbraw/zinc/58/54/67/806585467.db2.gz FVBQSYQLBOWRQL-OWCLPIDISA-N 2 1 293.455 2.016 20 30 CEEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)[C@H]1C ZINC001088666380 806585474 /nfs/dbraw/zinc/58/54/74/806585474.db2.gz FVBQSYQLBOWRQL-OWCLPIDISA-N 2 1 293.455 2.016 20 30 CEEDMP C=CCC[C@H](C)[NH2+]C1CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001203203151 802824830 /nfs/dbraw/zinc/82/48/30/802824830.db2.gz HKUYULCXARWZFB-HNNXBMFYSA-N 2 1 295.471 2.264 20 30 CEEDMP C=CCCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001267627484 803631133 /nfs/dbraw/zinc/63/11/33/803631133.db2.gz DUKOTBMSDLADMN-HOTGVXAUSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001267627484 803631137 /nfs/dbraw/zinc/63/11/37/803631137.db2.gz DUKOTBMSDLADMN-HOTGVXAUSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001267627484 803631138 /nfs/dbraw/zinc/63/11/38/803631138.db2.gz DUKOTBMSDLADMN-HOTGVXAUSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001267627484 803631142 /nfs/dbraw/zinc/63/11/42/803631142.db2.gz DUKOTBMSDLADMN-HOTGVXAUSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCC[C@@H](C)[NH+]1CC(NC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001267671748 803650976 /nfs/dbraw/zinc/65/09/76/803650976.db2.gz IXWUDTOOGUFLNH-ZBFHGGJFSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CCC[C@@H](C)[NH+]1CC(NC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001267671748 803650981 /nfs/dbraw/zinc/65/09/81/803650981.db2.gz IXWUDTOOGUFLNH-ZBFHGGJFSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CCC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001027879737 804315232 /nfs/dbraw/zinc/31/52/32/804315232.db2.gz XCUFHXOPCWGEFK-HZPDHXFCSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001027879737 804315241 /nfs/dbraw/zinc/31/52/41/804315241.db2.gz XCUFHXOPCWGEFK-HZPDHXFCSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001027879737 804315250 /nfs/dbraw/zinc/31/52/50/804315250.db2.gz XCUFHXOPCWGEFK-HZPDHXFCSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CCC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001028029966 804403770 /nfs/dbraw/zinc/40/37/70/804403770.db2.gz OUIIZYLNRYNQFD-OAHLLOKOSA-N 2 1 298.390 2.105 20 30 CEEDMP C=C(C)C[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001268158508 804493573 /nfs/dbraw/zinc/49/35/73/804493573.db2.gz FTXZDRRSLVZVQU-HZPDHXFCSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCC[C@@H](C)[N@@H+](C)CCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001268239060 804566499 /nfs/dbraw/zinc/56/64/99/804566499.db2.gz OWEGPICSOJMQRL-OAHLLOKOSA-N 2 1 295.471 2.216 20 30 CEEDMP C=C(C)C[NH2+]C1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000996463408 808404071 /nfs/dbraw/zinc/40/40/71/808404071.db2.gz GBYZDCYIPWLVRL-MRXNPFEDSA-N 2 1 293.455 2.016 20 30 CEEDMP CCCCCCCOC(=O)NCCC[N@@H+](C)CCC[NH3+] ZINC001239321165 808568980 /nfs/dbraw/zinc/56/89/80/808568980.db2.gz GVEBKBYJTVXPNO-UHFFFAOYSA-N 2 1 287.448 2.354 20 30 CEEDMP C=CCC[NH2+]CCCC[C@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001171821593 815234327 /nfs/dbraw/zinc/23/43/27/815234327.db2.gz OCSIIUNAOBXBOX-AWEZNQCLSA-N 2 1 292.427 2.032 20 30 CEEDMP C=CC[NH2+][C@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001019067950 810673688 /nfs/dbraw/zinc/67/36/88/810673688.db2.gz WCEILAIOIHWWSZ-AWEZNQCLSA-N 2 1 293.455 2.016 20 30 CEEDMP C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc2c[nH+]cn2c1 ZINC001085724151 810891685 /nfs/dbraw/zinc/89/16/85/810891685.db2.gz OQAAJDUZXJNREP-INIZCTEOSA-N 2 1 298.390 2.057 20 30 CEEDMP C=CCC[NH+]1CC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001038783896 810912642 /nfs/dbraw/zinc/91/26/42/810912642.db2.gz ZRKCSTGQNSCFTG-JKSUJKDBSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CCC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001038783896 810912646 /nfs/dbraw/zinc/91/26/46/810912646.db2.gz ZRKCSTGQNSCFTG-JKSUJKDBSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CCC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001038783896 810912650 /nfs/dbraw/zinc/91/26/50/810912650.db2.gz ZRKCSTGQNSCFTG-JKSUJKDBSA-N 2 1 293.455 2.016 20 30 CEEDMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001273428517 811128449 /nfs/dbraw/zinc/12/84/49/811128449.db2.gz PDWFMKAWJKSWIF-CVEARBPZSA-N 2 1 295.471 2.119 20 30 CEEDMP C[C@@H](CCCC#N)[NH2+][C@@H]1CC[N@H+](CC2CCOCC2)C1 ZINC001172489596 815450777 /nfs/dbraw/zinc/45/07/77/815450777.db2.gz WIKGLQCBNSLCSS-GOEBONIOSA-N 2 1 279.428 2.159 20 30 CEEDMP C[C@@H](CCCC#N)[NH2+][C@@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC001172489596 815450782 /nfs/dbraw/zinc/45/07/82/815450782.db2.gz WIKGLQCBNSLCSS-GOEBONIOSA-N 2 1 279.428 2.159 20 30 CEEDMP C[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)CCC[C@H]1C[NH3+] ZINC001206012987 811573631 /nfs/dbraw/zinc/57/36/31/811573631.db2.gz OQTSSPLUNOWYFQ-NEPJUHHUSA-N 2 1 263.410 2.427 20 30 CEEDMP N#Cc1ccc2[nH]cc(C[N@H+]3CC[C@@H](F)[C@@H]([NH3+])CC3)c2c1 ZINC001206173257 815490290 /nfs/dbraw/zinc/49/02/90/815490290.db2.gz GFFOYILNELDCQO-CABCVRRESA-N 2 1 286.354 2.301 20 30 CEEDMP C=CCCCNc1ccc2c(C3C[NH2+]C3)[nH+]cn2c1 ZINC001170299557 812377149 /nfs/dbraw/zinc/37/71/49/812377149.db2.gz FFJAKAPQEZWMBW-UHFFFAOYSA-N 2 1 256.353 2.399 20 30 CEEDMP N#CC1(c2ccccc2)CCC([NH2+][C@@H]2C[C@H]2[NH3+])CC1 ZINC001170369713 812396386 /nfs/dbraw/zinc/39/63/86/812396386.db2.gz ZKJVYXCYBYBOFU-LVDPKSTMSA-N 2 1 255.365 2.080 20 30 CEEDMP C=CCC[NH+]1CCC[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001052717741 812452424 /nfs/dbraw/zinc/45/24/24/812452424.db2.gz YOXINVDELUUPTH-JKSUJKDBSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCC[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC001052717741 812452427 /nfs/dbraw/zinc/45/24/27/812452427.db2.gz YOXINVDELUUPTH-JKSUJKDBSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC001052717741 812452432 /nfs/dbraw/zinc/45/24/32/812452432.db2.gz YOXINVDELUUPTH-JKSUJKDBSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCCC[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001129430265 812493895 /nfs/dbraw/zinc/49/38/95/812493895.db2.gz QRBLCUNUQOJKPN-MRXNPFEDSA-N 2 1 293.455 2.065 20 30 CEEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)CC[C@H]1C ZINC001132248824 812809658 /nfs/dbraw/zinc/80/96/58/812809658.db2.gz JHSPHEADZBRJFU-CVEARBPZSA-N 2 1 295.471 2.264 20 30 CEEDMP C=CCCC[N@@H+]1C[C@H](NC(=O)C[NH+](C)C(C)C)CC[C@@H]1C ZINC001132517637 812870991 /nfs/dbraw/zinc/87/09/91/812870991.db2.gz FWVSZCAKHSEIHR-JKSUJKDBSA-N 2 1 295.471 2.262 20 30 CEEDMP C=CCCC[N@H+]1C[C@H](NC(=O)C[NH+](C)C(C)C)CC[C@@H]1C ZINC001132517637 812870997 /nfs/dbraw/zinc/87/09/97/812870997.db2.gz FWVSZCAKHSEIHR-JKSUJKDBSA-N 2 1 295.471 2.262 20 30 CEEDMP C=CC[N@@H+]1C[C@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[C@H]1C ZINC001071652892 813461056 /nfs/dbraw/zinc/46/10/56/813461056.db2.gz QCMMFOLLMOJUET-UKRRQHHQSA-N 2 1 298.390 2.103 20 30 CEEDMP C[C@@H](Cc1cccc(C#N)c1)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001171212685 814165104 /nfs/dbraw/zinc/16/51/04/814165104.db2.gz PNTNKUVZXVNDBV-QGTPRVQTSA-N 2 1 283.419 2.373 20 30 CEEDMP C[C@@H](Cc1cccc(C#N)c1)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001171212685 814165108 /nfs/dbraw/zinc/16/51/08/814165108.db2.gz PNTNKUVZXVNDBV-QGTPRVQTSA-N 2 1 283.419 2.373 20 30 CEEDMP C[C@@H](Cc1cccc(C#N)c1)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001171212685 814165112 /nfs/dbraw/zinc/16/51/12/814165112.db2.gz PNTNKUVZXVNDBV-QGTPRVQTSA-N 2 1 283.419 2.373 20 30 CEEDMP CCCCCCC[NH2+]CCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001171226266 814191556 /nfs/dbraw/zinc/19/15/56/814191556.db2.gz DRXLWCNJKSSFGN-MRXNPFEDSA-N 2 1 297.487 2.395 20 30 CEEDMP CC[NH+]1C[C@H]2C[NH+](Cc3c[nH]c4ccc(C#N)cc34)C[C@@H]2C1 ZINC001140117500 816194144 /nfs/dbraw/zinc/19/41/44/816194144.db2.gz SVDDAUMLWPEQEG-HOTGVXAUSA-N 2 1 294.402 2.423 20 30 CEEDMP C=CCN(CC[N@H+]1CCC[C@](C)(C[NH3+])CC1)C(=O)OCC ZINC001206293204 816520648 /nfs/dbraw/zinc/52/06/48/816520648.db2.gz GSPDTZBMXAEXAQ-INIZCTEOSA-N 2 1 297.443 2.082 20 30 CEEDMP C#CCC[NH2+]CCCCCCNC(=O)C(C)(C)[N@H+](C)CC ZINC001178853373 816804355 /nfs/dbraw/zinc/80/43/55/816804355.db2.gz ICDZMYCDQSHJHC-UHFFFAOYSA-N 2 1 295.471 2.006 20 30 CEEDMP C=CCC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@H]1C ZINC001179549912 816877543 /nfs/dbraw/zinc/87/75/43/816877543.db2.gz LYJMATZLGZKBJV-GJZGRUSLSA-N 2 1 295.471 2.119 20 30 CEEDMP Cc1ccc(C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)cc1C#N ZINC000601334776 346823694 /nfs/dbraw/zinc/82/36/94/346823694.db2.gz NPQKKVPUJQZOQM-WBVHZDCISA-N 2 1 269.392 2.441 20 30 CEEDMP Cc1ccc(C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)cc1C#N ZINC000601334776 346823695 /nfs/dbraw/zinc/82/36/95/346823695.db2.gz NPQKKVPUJQZOQM-WBVHZDCISA-N 2 1 269.392 2.441 20 30 CEEDMP C=CC[C@@H](C)[C@H](C)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000128323829 365784293 /nfs/dbraw/zinc/78/42/93/365784293.db2.gz MYSRWPYMMKCHLM-CVEARBPZSA-N 2 1 267.461 2.204 20 30 CEEDMP Cc1[nH+]ccn1CCC[NH2+]Cc1cccc(F)c1C#N ZINC000602003356 346955214 /nfs/dbraw/zinc/95/52/14/346955214.db2.gz IKDUTMWXCZUMGX-UHFFFAOYSA-N 2 1 272.327 2.382 20 30 CEEDMP C=CCNC(=[NH2+])NC[C@@H](c1ccccc1)[NH+](CC)CC ZINC000066242288 343709489 /nfs/dbraw/zinc/70/94/89/343709489.db2.gz JCTQZNJYKLBRGT-HNNXBMFYSA-N 2 1 274.412 2.160 20 30 CEEDMP C[NH+]=C(NC[C@@H](c1ccc(C)o1)[NH+]1CCCC1)NC(C)C ZINC000072602032 343807771 /nfs/dbraw/zinc/80/77/71/343807771.db2.gz LFPHJKAYHVELGC-AWEZNQCLSA-N 2 1 292.427 2.298 20 30 CEEDMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)CC2(C#N)CCOCC2)C1 ZINC000602522996 347066190 /nfs/dbraw/zinc/06/61/90/347066190.db2.gz YCBDNPNJEMFBJM-GJZGRUSLSA-N 2 1 279.428 2.017 20 30 CEEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000602546019 347071733 /nfs/dbraw/zinc/07/17/33/347071733.db2.gz AVJJHJDRKNIBDY-CABCVRRESA-N 2 1 279.428 2.017 20 30 CEEDMP N#CC1CCC(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000594504650 345639692 /nfs/dbraw/zinc/63/96/92/345639692.db2.gz QSEJRVRQWASBGO-VMBOVVBDSA-N 2 1 291.439 2.159 20 30 CEEDMP C[C@@H]1C[C@H](C[N@H+]2Cc3ccc(C#N)cc3C2)CC[NH2+]1 ZINC000594581064 345651021 /nfs/dbraw/zinc/65/10/21/345651021.db2.gz JDJPCGDHZYTUPX-TZMCWYRMSA-N 2 1 255.365 2.262 20 30 CEEDMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CCc1ccc(C#N)cc1 ZINC000595891482 345908108 /nfs/dbraw/zinc/90/81/08/345908108.db2.gz IIPZUQBVUJMVGS-XJKCOSOUSA-N 2 1 257.381 2.077 20 30 CEEDMP CC[C@@H]1C[N@@H+](CCc2ccc(C#N)cc2)CC[C@H]1[NH3+] ZINC000595895927 345909228 /nfs/dbraw/zinc/90/92/28/345909228.db2.gz WKVJTUZRZJDCQO-HZPDHXFCSA-N 2 1 257.381 2.160 20 30 CEEDMP Cc1[nH+]ccn1CC[N@@H+](C)Cc1cccc(C#N)c1 ZINC000061948166 362700569 /nfs/dbraw/zinc/70/05/69/362700569.db2.gz COGPRGGDKSWZLC-UHFFFAOYSA-N 2 1 254.337 2.195 20 30 CEEDMP Cc1[nH+]ccn1CC[N@H+](C)Cc1cccc(C#N)c1 ZINC000061948166 362700577 /nfs/dbraw/zinc/70/05/77/362700577.db2.gz COGPRGGDKSWZLC-UHFFFAOYSA-N 2 1 254.337 2.195 20 30 CEEDMP C[C@@H]1CC[N@@H+](C[C@H](O)CC(C)(C)C#N)C[C@@H]1n1ccnc1 ZINC000598598795 346381465 /nfs/dbraw/zinc/38/14/65/346381465.db2.gz VWSOIBSXOMHMCJ-KFWWJZLASA-N 2 1 290.411 2.067 20 30 CEEDMP Cn1c[nH+]cc1CC[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000598917728 346433883 /nfs/dbraw/zinc/43/38/83/346433883.db2.gz HVUSNRHOXAJGDU-UHFFFAOYSA-N 2 1 280.375 2.308 20 30 CEEDMP Cc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1C#N ZINC000600708422 346675011 /nfs/dbraw/zinc/67/50/11/346675011.db2.gz CTPGIJQSZJSHEE-IYBDPMFKSA-N 2 1 269.392 2.298 20 30 CEEDMP Cc1ccc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)cc1C#N ZINC000600710814 346676107 /nfs/dbraw/zinc/67/61/07/346676107.db2.gz PSOJMFVRNTXAIA-AWEZNQCLSA-N 2 1 257.381 2.428 20 30 CEEDMP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000602683126 347143414 /nfs/dbraw/zinc/14/34/14/347143414.db2.gz PKQNZGQVCMTMOK-HNSVSWJLSA-N 2 1 291.439 2.300 20 30 CEEDMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cccc(C#N)c2)C1 ZINC000069160377 362955540 /nfs/dbraw/zinc/95/55/40/362955540.db2.gz XPXQZESMZHNKOH-INIZCTEOSA-N 2 1 257.381 2.380 20 30 CEEDMP C[NH+](C)C1CC[NH+](CCCC2(C#N)CCOCC2)CC1 ZINC000337139323 366036565 /nfs/dbraw/zinc/03/65/65/366036565.db2.gz SCVDTKAJMCXTEB-UHFFFAOYSA-N 2 1 279.428 2.113 20 30 CEEDMP COc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1C#N ZINC000135123248 366397956 /nfs/dbraw/zinc/39/79/56/366397956.db2.gz YMEXGAKWGIJOGF-BBRMVZONSA-N 2 1 287.407 2.481 20 30 CEEDMP COc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1C#N ZINC000135123248 366397958 /nfs/dbraw/zinc/39/79/58/366397958.db2.gz YMEXGAKWGIJOGF-BBRMVZONSA-N 2 1 287.407 2.481 20 30 CEEDMP COc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1C#N ZINC000135123248 366397960 /nfs/dbraw/zinc/39/79/60/366397960.db2.gz YMEXGAKWGIJOGF-BBRMVZONSA-N 2 1 287.407 2.481 20 30 CEEDMP COc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1C#N ZINC000135123248 366397961 /nfs/dbraw/zinc/39/79/61/366397961.db2.gz YMEXGAKWGIJOGF-BBRMVZONSA-N 2 1 287.407 2.481 20 30 CEEDMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)CC[N@@H+]1C ZINC000334670379 364160454 /nfs/dbraw/zinc/16/04/54/364160454.db2.gz LUEQJDDZVCHPMO-FZMZJTMJSA-N 2 1 261.344 2.270 20 30 CEEDMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)CC[N@H+]1C ZINC000334670379 364160459 /nfs/dbraw/zinc/16/04/59/364160459.db2.gz LUEQJDDZVCHPMO-FZMZJTMJSA-N 2 1 261.344 2.270 20 30 CEEDMP COCCC[NH+]1CCC([NH2+]Cc2cc(C#N)cs2)CC1 ZINC000177694798 368279458 /nfs/dbraw/zinc/27/94/58/368279458.db2.gz KUXZDAKAQJCBNC-UHFFFAOYSA-N 2 1 293.436 2.210 20 30 CEEDMP C=CCOc1ccc(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cc1 ZINC000346678712 368766266 /nfs/dbraw/zinc/76/62/66/368766266.db2.gz LSVHLNBSFYSPQJ-DZGCQCFKSA-N 2 1 260.381 2.421 20 30 CEEDMP CN(CC[C@@H]1CCCC[N@H+]1C)Cc1cc(C#N)n(C)c1 ZINC000191400758 369709912 /nfs/dbraw/zinc/70/99/12/369709912.db2.gz IVISSNLKKXWQHV-HNNXBMFYSA-N 2 1 274.412 2.203 20 30 CEEDMP C#CCCOc1ccc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)cc1 ZINC000194543382 370050872 /nfs/dbraw/zinc/05/08/72/370050872.db2.gz KHEWEKCIDGOULJ-CALCHBBNSA-N 2 1 284.403 2.082 20 30 CEEDMP C#CCCOc1ccc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)cc1 ZINC000194543382 370050875 /nfs/dbraw/zinc/05/08/75/370050875.db2.gz KHEWEKCIDGOULJ-CALCHBBNSA-N 2 1 284.403 2.082 20 30 CEEDMP C#CCCOc1ccc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1 ZINC000194543382 370050878 /nfs/dbraw/zinc/05/08/78/370050878.db2.gz KHEWEKCIDGOULJ-CALCHBBNSA-N 2 1 284.403 2.082 20 30 CEEDMP C#CCCOc1ccc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1 ZINC000194543382 370050881 /nfs/dbraw/zinc/05/08/81/370050881.db2.gz KHEWEKCIDGOULJ-CALCHBBNSA-N 2 1 284.403 2.082 20 30 CEEDMP C=CCOc1cccc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)c1 ZINC000194543708 370051008 /nfs/dbraw/zinc/05/10/08/370051008.db2.gz DONZUKPIYRFHTA-IYBDPMFKSA-N 2 1 272.392 2.245 20 30 CEEDMP C=CCOc1cccc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)c1 ZINC000194543708 370051013 /nfs/dbraw/zinc/05/10/13/370051013.db2.gz DONZUKPIYRFHTA-IYBDPMFKSA-N 2 1 272.392 2.245 20 30 CEEDMP C=CCOc1cccc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c1 ZINC000194543708 370051018 /nfs/dbraw/zinc/05/10/18/370051018.db2.gz DONZUKPIYRFHTA-IYBDPMFKSA-N 2 1 272.392 2.245 20 30 CEEDMP C=CCOc1cccc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c1 ZINC000194543708 370051019 /nfs/dbraw/zinc/05/10/19/370051019.db2.gz DONZUKPIYRFHTA-IYBDPMFKSA-N 2 1 272.392 2.245 20 30 CEEDMP COc1cc(C[N@@H+]2CCCC[C@@H]2CC[NH3+])ccc1C#N ZINC000234968121 370552270 /nfs/dbraw/zinc/55/22/70/370552270.db2.gz WSPHLZDKLMBKDX-OAHLLOKOSA-N 2 1 273.380 2.270 20 30 CEEDMP COc1cc(C[N@H+]2CCCC[C@@H]2CC[NH3+])ccc1C#N ZINC000234968121 370552274 /nfs/dbraw/zinc/55/22/74/370552274.db2.gz WSPHLZDKLMBKDX-OAHLLOKOSA-N 2 1 273.380 2.270 20 30 CEEDMP CCNC(=[NH2+])NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000264143660 371978163 /nfs/dbraw/zinc/97/81/63/371978163.db2.gz XGZFCIVCQMRKHE-CQSZACIVSA-N 2 1 288.439 2.485 20 30 CEEDMP C=C(C)C[NH+]1CCC(N[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)CC1 ZINC000367613433 373168297 /nfs/dbraw/zinc/16/82/97/373168297.db2.gz FNHXZXSCENXGGJ-RCCFBDPRSA-N 2 1 291.483 2.489 20 30 CEEDMP C=C(C)CC[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000644658206 373586538 /nfs/dbraw/zinc/58/65/38/373586538.db2.gz CUXKNSUBNPNSEL-INIZCTEOSA-N 2 1 262.397 2.035 20 30 CEEDMP C=C(C)CC[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000644658206 373586543 /nfs/dbraw/zinc/58/65/43/373586543.db2.gz CUXKNSUBNPNSEL-INIZCTEOSA-N 2 1 262.397 2.035 20 30 CEEDMP CN1CC[C@@H]2CC[N@@H+](CCCC3(C#N)CCOCC3)[C@@H]2C1 ZINC000375213767 374646392 /nfs/dbraw/zinc/64/63/92/374646392.db2.gz BWEMDINQSKYTQQ-HZPDHXFCSA-N 2 1 291.439 2.113 20 30 CEEDMP C[N@@H+]1CC[C@@H]2CCN(CCCC3(C#N)CCOCC3)[C@@H]2C1 ZINC000375213767 374646401 /nfs/dbraw/zinc/64/64/01/374646401.db2.gz BWEMDINQSKYTQQ-HZPDHXFCSA-N 2 1 291.439 2.113 20 30 CEEDMP C[N@H+]1CC[C@@H]2CCN(CCCC3(C#N)CCOCC3)[C@@H]2C1 ZINC000375213767 374646411 /nfs/dbraw/zinc/64/64/11/374646411.db2.gz BWEMDINQSKYTQQ-HZPDHXFCSA-N 2 1 291.439 2.113 20 30 CEEDMP C[N@@H+]1CC[C@@H]2CC[NH+](CCCC3(C#N)CCOCC3)[C@@H]2C1 ZINC000375213767 374646421 /nfs/dbraw/zinc/64/64/21/374646421.db2.gz BWEMDINQSKYTQQ-HZPDHXFCSA-N 2 1 291.439 2.113 20 30 CEEDMP C[N@H+]1CC[C@@H]2CC[NH+](CCCC3(C#N)CCOCC3)[C@@H]2C1 ZINC000375213767 374646432 /nfs/dbraw/zinc/64/64/32/374646432.db2.gz BWEMDINQSKYTQQ-HZPDHXFCSA-N 2 1 291.439 2.113 20 30 CEEDMP C[NH+]1CC[C@@H]2CC[N@H+](CCCC3(C#N)CCOCC3)[C@@H]2C1 ZINC000375213767 374646440 /nfs/dbraw/zinc/64/64/40/374646440.db2.gz BWEMDINQSKYTQQ-HZPDHXFCSA-N 2 1 291.439 2.113 20 30 CEEDMP C[NH+]1CC[C@@H]2CC[N@@H+](CCCC3(C#N)CCOCC3)[C@@H]2C1 ZINC000375213767 374646451 /nfs/dbraw/zinc/64/64/51/374646451.db2.gz BWEMDINQSKYTQQ-HZPDHXFCSA-N 2 1 291.439 2.113 20 30 CEEDMP C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cn2)C[C@@H]1n1ccnc1 ZINC000562925262 377024233 /nfs/dbraw/zinc/02/42/33/377024233.db2.gz FGZXVOKQSFEKEY-CJNGLKHVSA-N 2 1 281.363 2.233 20 30 CEEDMP C[C@@H]1CCN(Cc2ccc(C#N)cn2)C[C@@H]1n1ccnc1 ZINC000562925262 377024243 /nfs/dbraw/zinc/02/42/43/377024243.db2.gz FGZXVOKQSFEKEY-CJNGLKHVSA-N 2 1 281.363 2.233 20 30 CEEDMP C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cn2)C[C@H]1n1ccnc1 ZINC000562925263 377024320 /nfs/dbraw/zinc/02/43/20/377024320.db2.gz FGZXVOKQSFEKEY-CZUORRHYSA-N 2 1 281.363 2.233 20 30 CEEDMP C[C@@H]1CCN(Cc2ccc(C#N)cn2)C[C@H]1n1ccnc1 ZINC000562925263 377024332 /nfs/dbraw/zinc/02/43/32/377024332.db2.gz FGZXVOKQSFEKEY-CZUORRHYSA-N 2 1 281.363 2.233 20 30 CEEDMP COc1cc(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])ccc1C#N ZINC000423128681 377026734 /nfs/dbraw/zinc/02/67/34/377026734.db2.gz WETNABZCVDGJIT-HUUCEWRRSA-N 2 1 273.380 2.316 20 30 CEEDMP CC(C)OCC[NH+]1CCC([NH2+][C@@H]2CC[C@H](C#N)C2)CC1 ZINC000442781314 377993825 /nfs/dbraw/zinc/99/38/25/377993825.db2.gz IKHZLYBADFAFOC-GOEBONIOSA-N 2 1 279.428 2.158 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc2c(c1)OCCO2 ZINC000294894252 378026048 /nfs/dbraw/zinc/02/60/48/378026048.db2.gz FDVBYIHSCZUSQZ-CQSZACIVSA-N 2 1 288.391 2.064 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccc2c(c1)OCCO2 ZINC000294894252 378026053 /nfs/dbraw/zinc/02/60/53/378026053.db2.gz FDVBYIHSCZUSQZ-CQSZACIVSA-N 2 1 288.391 2.064 20 30 CEEDMP C[N@H+]1CC[C@H]2CCN(Cc3cc(C#N)cs3)[C@H]2C1 ZINC000334398316 380354189 /nfs/dbraw/zinc/35/41/89/380354189.db2.gz LXWFDCNRVOPZSD-JSGCOSHPSA-N 2 1 261.394 2.146 20 30 CEEDMP COc1cc(C[NH2+]C2CC[NH+](C3CC3)CC2)ccc1C#N ZINC000281600710 195304775 /nfs/dbraw/zinc/30/47/75/195304775.db2.gz FUHSUUMLFVIPOD-UHFFFAOYSA-N 2 1 285.391 2.283 20 30 CEEDMP CCC[NH+](CCC)CCC[NH2+]Cc1cc(C#N)n(C)c1 ZINC000190945572 130164176 /nfs/dbraw/zinc/16/41/76/130164176.db2.gz WHNWUSFGWPSWQA-UHFFFAOYSA-N 2 1 276.428 2.498 20 30 CEEDMP Cc1[nH+]ccn1CCNC(=[NH2+])Nc1ccc2c(c1)CCC2 ZINC000261998817 394610871 /nfs/dbraw/zinc/61/08/71/394610871.db2.gz OVEKXORYPQIAKB-UHFFFAOYSA-N 2 1 283.379 2.107 20 30 CEEDMP CNC(=[NH2+])NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000270612171 394736630 /nfs/dbraw/zinc/73/66/30/394736630.db2.gz YKANMXOJYJHNHV-MFKMUULPSA-N 2 1 298.793 2.006 20 30 CEEDMP C[N@H+](CCNC(=[NH2+])Nc1cccc2c1CCCC2)C1CC1 ZINC000267301499 394675989 /nfs/dbraw/zinc/67/59/89/394675989.db2.gz LNCXPGGSRUZEDH-UHFFFAOYSA-N 2 1 286.423 2.386 20 30 CEEDMP C[N@@H+](CCNC(=[NH2+])Nc1cccc2c1CCCC2)C1CC1 ZINC000267301499 394675992 /nfs/dbraw/zinc/67/59/92/394675992.db2.gz LNCXPGGSRUZEDH-UHFFFAOYSA-N 2 1 286.423 2.386 20 30 CEEDMP COCC[N@@H+](C)CCCC1CC[NH+](CCCC#N)CC1 ZINC000122166592 394809584 /nfs/dbraw/zinc/80/95/84/394809584.db2.gz YLVVNRCMANHLEM-UHFFFAOYSA-N 2 1 281.444 2.361 20 30 CEEDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CCC(C)(C)C#N)C1 ZINC000345731240 395074493 /nfs/dbraw/zinc/07/44/93/395074493.db2.gz SIPMJNIYMRWACD-HNNXBMFYSA-N 2 1 281.444 2.359 20 30 CEEDMP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CCC[C@H](C#N)C2)CCCO1 ZINC000446972953 395503248 /nfs/dbraw/zinc/50/32/48/395503248.db2.gz BMOKSZPDVZKPLM-OWCLPIDISA-N 2 1 279.428 2.159 20 30 CEEDMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCC[C@H](C#N)C2)CCCO1 ZINC000446972953 395503253 /nfs/dbraw/zinc/50/32/53/395503253.db2.gz BMOKSZPDVZKPLM-OWCLPIDISA-N 2 1 279.428 2.159 20 30 CEEDMP C=CCCCC[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000569899639 395580887 /nfs/dbraw/zinc/58/08/87/395580887.db2.gz GMLNRHMDSLDYQA-IRXDYDNUSA-N 2 1 279.472 2.301 20 30 CEEDMP C=CC[C@@H]1CC[C@H]([NH2+]CCC[NH+]2CCC(O)CC2)C1 ZINC000651686233 401372106 /nfs/dbraw/zinc/37/21/06/401372106.db2.gz VBMQZNBOGQYMGH-CABCVRRESA-N 2 1 266.429 2.168 20 30 CEEDMP C=CCCC[N@@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652347524 401490651 /nfs/dbraw/zinc/49/06/51/401490651.db2.gz CXUSBRPFEYSVTF-ZNMIVQPWSA-N 2 1 252.402 2.171 20 30 CEEDMP C=C(C)[C@H](CO)[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660675401 414929624 /nfs/dbraw/zinc/92/96/24/414929624.db2.gz JQHKLAXQJNAQBR-KRWDZBQOSA-N 2 1 274.408 2.178 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2COC3(CCC3)C2)CC1 ZINC000657875484 415110007 /nfs/dbraw/zinc/11/00/07/415110007.db2.gz KVGKKPLAVCPPTB-OAHLLOKOSA-N 2 1 264.413 2.328 20 30 CEEDMP C=CCC1([NH2+]C[C@H](O)C[N@H+](C)C(C)C)CCCC1 ZINC000661850689 415498781 /nfs/dbraw/zinc/49/87/81/415498781.db2.gz MVCCBIRJURBOCO-AWEZNQCLSA-N 2 1 254.418 2.166 20 30 CEEDMP C=CC[C@]1(C(=O)NCC[N@H+](C)C2CCCCC2)CCC[NH2+]1 ZINC000662679642 415928685 /nfs/dbraw/zinc/92/86/85/415928685.db2.gz AOAFHMGIFPBDFD-QGZVFWFLSA-N 2 1 293.455 2.065 20 30 CEEDMP CN1CCN(c2ccc(N[C@@H]3CCC[C@@H](C#N)C3)nc2)CC1 ZINC000185790592 262071567 /nfs/dbraw/zinc/07/15/67/262071567.db2.gz VEZSAJOTMAMSJJ-HUUCEWRRSA-N 2 1 299.422 2.328 20 30 CEEDMP C=CCOc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000357130046 266253038 /nfs/dbraw/zinc/25/30/38/266253038.db2.gz JJCRJJAUSOWLCI-JKSUJKDBSA-N 2 1 272.392 2.293 20 30 CEEDMP C=CCOc1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000357130046 266253040 /nfs/dbraw/zinc/25/30/40/266253040.db2.gz JJCRJJAUSOWLCI-JKSUJKDBSA-N 2 1 272.392 2.293 20 30 CEEDMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1C[NH3+] ZINC000397386744 267076192 /nfs/dbraw/zinc/07/61/92/267076192.db2.gz MFLXBQCLICQERJ-IOASZLSFSA-N 2 1 257.381 2.363 20 30 CEEDMP CC#CC[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000306460303 268048062 /nfs/dbraw/zinc/04/80/62/268048062.db2.gz BYAPQQNSEYXBIE-ROUUACIJSA-N 2 1 268.404 2.464 20 30 CEEDMP CC#CC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000306460303 268048065 /nfs/dbraw/zinc/04/80/65/268048065.db2.gz BYAPQQNSEYXBIE-ROUUACIJSA-N 2 1 268.404 2.464 20 30 CEEDMP CC#CC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000306460303 268048068 /nfs/dbraw/zinc/04/80/68/268048068.db2.gz BYAPQQNSEYXBIE-ROUUACIJSA-N 2 1 268.404 2.464 20 30 CEEDMP CC#CC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000306460303 268048071 /nfs/dbraw/zinc/04/80/71/268048071.db2.gz BYAPQQNSEYXBIE-ROUUACIJSA-N 2 1 268.404 2.464 20 30 CEEDMP CN(C)C(=[NH2+])NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000178583611 329200876 /nfs/dbraw/zinc/20/08/76/329200876.db2.gz CEZNZLNMMZYBEC-DGCLKSJQSA-N 2 1 280.441 2.007 20 30 CEEDMP COc1ccc(C#N)cc1C[N@H+]1CC[C@H](c2nccn2C)C1 ZINC000580694814 322335575 /nfs/dbraw/zinc/33/55/75/322335575.db2.gz JLDXNEVKMUMGTA-AWEZNQCLSA-N 2 1 296.374 2.290 20 30 CEEDMP N#Cc1ccc(N2CCC([NH2+]CCC[NH+]3CCC3)CC2)cc1 ZINC000582856395 322508856 /nfs/dbraw/zinc/50/88/56/322508856.db2.gz OJMVAQIWJFQIEL-UHFFFAOYSA-N 2 1 298.434 2.212 20 30 CEEDMP C#Cc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000377543215 329018465 /nfs/dbraw/zinc/01/84/65/329018465.db2.gz QCHHKZWNCBBEGP-IAGOWNOFSA-N 2 1 254.377 2.384 20 30 CEEDMP CN(C)C(=[NH+]C[C@@H]1CCC[N@H+]1C1CCCCC1)N(C)C ZINC000262762429 330030005 /nfs/dbraw/zinc/03/00/05/330030005.db2.gz FWUOKICPTXPDHE-HNNXBMFYSA-N 2 1 280.460 2.263 20 30 CEEDMP C[NH+]=C(NC1CC1)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000262793660 330032014 /nfs/dbraw/zinc/03/20/14/330032014.db2.gz NVMHJWXXYCTDAN-CZUORRHYSA-N 2 1 286.423 2.149 20 30 CEEDMP C=C(C)C[NH+]1CCC(Nc2[nH+]cnc3[nH]ccc32)CC1 ZINC000264510910 330061858 /nfs/dbraw/zinc/06/18/58/330061858.db2.gz TXFZHAUYQXADOI-UHFFFAOYSA-N 2 1 271.368 2.410 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](c1cccnc1)C(C)C ZINC000491070887 332146374 /nfs/dbraw/zinc/14/63/74/332146374.db2.gz GJMSMWDJYKOENA-INIZCTEOSA-N 2 1 259.397 2.323 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@H](c1cccnc1)C(C)C ZINC000491070887 332146375 /nfs/dbraw/zinc/14/63/75/332146375.db2.gz GJMSMWDJYKOENA-INIZCTEOSA-N 2 1 259.397 2.323 20 30 CEEDMP Cn1ccnc1[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC000548497928 334160788 /nfs/dbraw/zinc/16/07/88/334160788.db2.gz DSNJATZULRJUES-OAHLLOKOSA-N 2 1 283.350 2.400 20 30 CEEDMP Cn1ccnc1[C@@H]1CCN(CC#Cc2ccc(F)cc2)C1 ZINC000548497928 334160790 /nfs/dbraw/zinc/16/07/90/334160790.db2.gz DSNJATZULRJUES-OAHLLOKOSA-N 2 1 283.350 2.400 20 30 CEEDMP C#CCOCC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000753767889 574515640 /nfs/dbraw/zinc/51/56/40/574515640.db2.gz MXJLOFXUUNNZIQ-AWEZNQCLSA-N 2 1 283.375 2.481 20 30 CEEDMP C#CCOCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000753760319 575340021 /nfs/dbraw/zinc/34/00/21/575340021.db2.gz IUGXACNGJZOMPB-WMZOPIPTSA-N 2 1 286.419 2.136 20 30 CEEDMP C#CCOCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000753760319 575340022 /nfs/dbraw/zinc/34/00/22/575340022.db2.gz IUGXACNGJZOMPB-WMZOPIPTSA-N 2 1 286.419 2.136 20 30 CEEDMP C=C(C)C[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC000968780166 613306165 /nfs/dbraw/zinc/30/61/65/613306165.db2.gz AAAQCDWTDLOVLK-HZPDHXFCSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)C[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC000968780166 613306167 /nfs/dbraw/zinc/30/61/67/613306167.db2.gz AAAQCDWTDLOVLK-HZPDHXFCSA-N 2 1 293.455 2.018 20 30 CEEDMP C[N@@H+](CCNC(=[NH2+])N1CCCCC1)C1CCCCC1 ZINC000104168555 624320414 /nfs/dbraw/zinc/32/04/14/624320414.db2.gz YHUQWCZQFTWPDX-UHFFFAOYSA-N 2 1 266.433 2.052 20 30 CEEDMP C[NH+]1CCC(C[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)CC1 ZINC000892244155 624450683 /nfs/dbraw/zinc/45/06/83/624450683.db2.gz HGPVKYVFBWYQFN-SFHVURJKSA-N 2 1 299.418 2.273 20 30 CEEDMP C[NH+]1CCC(C[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)CC1 ZINC000892244155 624450685 /nfs/dbraw/zinc/45/06/85/624450685.db2.gz HGPVKYVFBWYQFN-SFHVURJKSA-N 2 1 299.418 2.273 20 30 CEEDMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)C1 ZINC000236902213 625198241 /nfs/dbraw/zinc/19/82/41/625198241.db2.gz RBCVMOBDQFMYPE-HOCLYGCPSA-N 2 1 287.407 2.409 20 30 CEEDMP C=CC[NH+]1CCC(NCc2cn3ccnc3s2)CC1 ZINC000892880761 627827941 /nfs/dbraw/zinc/82/79/41/627827941.db2.gz IQEPNSYSUJZGTA-UHFFFAOYSA-N 2 1 276.409 2.136 20 30 CEEDMP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]CC1([NH3+])CC1 ZINC000902405512 634641602 /nfs/dbraw/zinc/64/16/02/634641602.db2.gz ILQOCQJDDOZDCY-OAHLLOKOSA-N 2 1 255.365 2.407 20 30 CEEDMP C#CC[N@@H+](Cc1ccccc1)CC1CC[NH+](C)CC1 ZINC000894434852 629460479 /nfs/dbraw/zinc/46/04/79/629460479.db2.gz JFWVIQNEDOXSAO-UHFFFAOYSA-N 2 1 256.393 2.464 20 30 CEEDMP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2CC#Cc2ccccc2)C1 ZINC000894497142 629491772 /nfs/dbraw/zinc/49/17/72/629491772.db2.gz USWLTUVYKGUNAS-ROUUACIJSA-N 2 1 268.404 2.454 20 30 CEEDMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2CC#Cc2ccccc2)C1 ZINC000894497142 629491776 /nfs/dbraw/zinc/49/17/76/629491776.db2.gz USWLTUVYKGUNAS-ROUUACIJSA-N 2 1 268.404 2.454 20 30 CEEDMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2CC#Cc2ccccc2)C1 ZINC000894497142 629491780 /nfs/dbraw/zinc/49/17/80/629491780.db2.gz USWLTUVYKGUNAS-ROUUACIJSA-N 2 1 268.404 2.454 20 30 CEEDMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2CC#Cc2ccccc2)C1 ZINC000894497142 629491783 /nfs/dbraw/zinc/49/17/83/629491783.db2.gz USWLTUVYKGUNAS-ROUUACIJSA-N 2 1 268.404 2.454 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+]C[C@H]1CCN(c2ccccc2)C1 ZINC000894863611 629701157 /nfs/dbraw/zinc/70/11/57/629701157.db2.gz NESARHOWEZFGFS-QGZVFWFLSA-N 2 1 285.435 2.058 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@H]1CCN(c2ccccc2)C1 ZINC000894863611 629701164 /nfs/dbraw/zinc/70/11/64/629701164.db2.gz NESARHOWEZFGFS-QGZVFWFLSA-N 2 1 285.435 2.058 20 30 CEEDMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CC[C@H](C#N)C2)cn1 ZINC000799714926 631067531 /nfs/dbraw/zinc/06/75/31/631067531.db2.gz JAPDBLUPSYYNGA-DZGCQCFKSA-N 2 1 281.363 2.358 20 30 CEEDMP Cc1[nH+]ccn1CCCCNC(=[NH2+])NCCc1ccccc1 ZINC000304751938 631104679 /nfs/dbraw/zinc/10/46/79/631104679.db2.gz JSXSNBQPEMSXOG-UHFFFAOYSA-N 2 1 299.422 2.119 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1C[C@H](OC)C1(CC)CC ZINC000815652476 633043676 /nfs/dbraw/zinc/04/36/76/633043676.db2.gz FBXJPZYTMDKZMZ-CABCVRRESA-N 2 1 266.429 2.125 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1C[C@H](OC)C1(CC)CC ZINC000815652476 633043678 /nfs/dbraw/zinc/04/36/78/633043678.db2.gz FBXJPZYTMDKZMZ-CABCVRRESA-N 2 1 266.429 2.125 20 30 CEEDMP N#Cc1ccc([C@H]2C[N@@H+](CC[C@H]3CCC[NH2+]C3)CCO2)cc1 ZINC000903825008 635292333 /nfs/dbraw/zinc/29/23/33/635292333.db2.gz XAZAPLWWXCVIMI-SJLPKXTDSA-N 2 1 299.418 2.321 20 30 CEEDMP C=CCCC[N@H+](CC)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903850340 635304009 /nfs/dbraw/zinc/30/40/09/635304009.db2.gz ORIVEUXHJRSZKK-HUUCEWRRSA-N 2 1 252.402 2.043 20 30 CEEDMP C=CC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H]1C ZINC000993669341 640665831 /nfs/dbraw/zinc/66/58/31/640665831.db2.gz AQFQJOSYGKXRCH-CABCVRRESA-N 2 1 293.455 2.016 20 30 CEEDMP C#C[C@@H]1CCC[NH+](CCC[N@@H+]2CCC[C@@H](C#C)C2)C1 ZINC000847020649 641526030 /nfs/dbraw/zinc/52/60/30/641526030.db2.gz CWVYLBSNQXUIES-IAGOWNOFSA-N 2 1 258.409 2.067 20 30 CEEDMP C[C@@H]1C[N@@H+](CCCNCc2csc(C#N)c2)CCCO1 ZINC000922063862 642861522 /nfs/dbraw/zinc/86/15/22/642861522.db2.gz KEAFMUGDPFXADE-CYBMUJFWSA-N 2 1 293.436 2.210 20 30 CEEDMP Cc1cc(C#N)cc(C)c1C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923480731 643732100 /nfs/dbraw/zinc/73/21/00/643732100.db2.gz ZYAQBXAWKZSWGD-AWEZNQCLSA-N 2 1 257.381 2.346 20 30 CEEDMP C=C(C)C[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000779149130 647291883 /nfs/dbraw/zinc/29/18/83/647291883.db2.gz LABYOWXOOYLDQK-UHFFFAOYSA-N 2 1 273.424 2.446 20 30 CEEDMP CN(C)c1ccc(C#N)cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000865589537 647374839 /nfs/dbraw/zinc/37/48/39/647374839.db2.gz MLRYFYDRIMZHOF-ALOPSCKCSA-N 2 1 298.434 2.339 20 30 CEEDMP CN(C)c1ccc(C#N)cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000865589537 647374848 /nfs/dbraw/zinc/37/48/48/647374848.db2.gz MLRYFYDRIMZHOF-ALOPSCKCSA-N 2 1 298.434 2.339 20 30 CEEDMP c1nncn1[NH+]=C1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000781115234 647501026 /nfs/dbraw/zinc/50/10/26/647501026.db2.gz KERHYSAQCUFJPD-CVEARBPZSA-N 2 1 295.390 2.414 20 30 CEEDMP C[NH+](C)[C@H]1CCCC(=[NH+]n2cc(Br)cn2)C1 ZINC000788437233 648183224 /nfs/dbraw/zinc/18/32/24/648183224.db2.gz OWAIBSQJGKVYEV-NSHDSACASA-N 2 1 285.189 2.354 20 30 CEEDMP C=C(Cl)C[C@H]([NH3+])c1nc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)no1 ZINC000871801663 649191581 /nfs/dbraw/zinc/19/15/81/649191581.db2.gz VBPQGMXVNGDPDS-GYIHNLGQSA-N 2 1 282.775 2.210 20 30 CEEDMP C[C@@H]([NH2+][C@@H]1Cc2ccc(C#N)cc2C1)[C@H]1CCCC[NH2+]1 ZINC000873275833 649621574 /nfs/dbraw/zinc/62/15/74/649621574.db2.gz ONVXFMDPAJNDSP-CSMYWGQOSA-N 2 1 269.392 2.146 20 30 CEEDMP C=CCC[C@H]([NH2+]CCn1cc[nH+]c1C)[C@@H]1CCCO1 ZINC000883182752 652392006 /nfs/dbraw/zinc/39/20/06/652392006.db2.gz JRJPMJNMSOKBFD-GJZGRUSLSA-N 2 1 263.385 2.295 20 30 CEEDMP C#CC[N@@H+]1CCC[C@H](Nc2cc[nH+]cc2C(F)(F)F)C1 ZINC000884610055 652942221 /nfs/dbraw/zinc/94/22/21/652942221.db2.gz CEJVJVRYAAYCBD-NSHDSACASA-N 2 1 283.297 2.032 20 30 CEEDMP C=C(C)C[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001266466092 802614074 /nfs/dbraw/zinc/61/40/74/802614074.db2.gz JBJBQQKYTWFEPK-HOTGVXAUSA-N 2 1 295.471 2.073 20 30 CEEDMP C=CCC[NH+]1C[C@H](NC(=O)CC[N@H+](C)CCC)CC[C@@H]1C ZINC001132437718 812851500 /nfs/dbraw/zinc/85/15/00/812851500.db2.gz XPCLWBKNRNJDKK-JKSUJKDBSA-N 2 1 295.471 2.264 20 30 CEEDMP C=CCC[N@@H+]1C[C@H](NC(=O)CC[NH+](C)CCC)CC[C@@H]1C ZINC001132437718 812851509 /nfs/dbraw/zinc/85/15/09/812851509.db2.gz XPCLWBKNRNJDKK-JKSUJKDBSA-N 2 1 295.471 2.264 20 30 CEEDMP C=CCC[N@H+]1C[C@H](NC(=O)CC[NH+](C)CCC)CC[C@@H]1C ZINC001132437718 812851519 /nfs/dbraw/zinc/85/15/19/812851519.db2.gz XPCLWBKNRNJDKK-JKSUJKDBSA-N 2 1 295.471 2.264 20 30 CEEDMP C=CC[NH2+][C@H](C)CN(C)C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001283611438 803509579 /nfs/dbraw/zinc/50/95/79/803509579.db2.gz BVTDAWONHVSDRK-ZIAGYGMSSA-N 2 1 292.427 2.019 20 30 CEEDMP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001267622146 803628005 /nfs/dbraw/zinc/62/80/05/803628005.db2.gz NTMMFLDUQDNTPE-MRXNPFEDSA-N 2 1 293.455 2.019 20 30 CEEDMP C=CCC[C@@H](C)[NH+]1CC(NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001267655599 803645223 /nfs/dbraw/zinc/64/52/23/803645223.db2.gz PDJFFFMIJSQKMI-CQSZACIVSA-N 2 1 293.455 2.016 20 30 CEEDMP C=C(C)C[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001268109270 804446191 /nfs/dbraw/zinc/44/61/91/804446191.db2.gz GPKGGJVTEYDTDT-CVEARBPZSA-N 2 1 295.471 2.167 20 30 CEEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CCC)C[C@@H]1CC ZINC001269184002 805072531 /nfs/dbraw/zinc/07/25/31/805072531.db2.gz XGCUXIKAIIVLRC-HOTGVXAUSA-N 2 1 295.471 2.121 20 30 CEEDMP C=C(C)C[NH2+]CCCNC(=O)C[N@H+](C)CCCCCC ZINC001168595522 808691072 /nfs/dbraw/zinc/69/10/72/808691072.db2.gz JWXCYSLGQKUIPW-UHFFFAOYSA-N 2 1 283.460 2.171 20 30 CEEDMP N#Cc1cccc(CCC[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c1 ZINC001206157577 815290582 /nfs/dbraw/zinc/29/05/82/815290582.db2.gz ZRSWORLIGQMVCN-CVEARBPZSA-N 2 1 275.371 2.252 20 30 CEEDMP N#Cc1cccc(CCC[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c1 ZINC001206157577 815290583 /nfs/dbraw/zinc/29/05/83/815290583.db2.gz ZRSWORLIGQMVCN-CVEARBPZSA-N 2 1 275.371 2.252 20 30 CEEDMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=[NH2+])c1ccc(C#N)cc1)C2 ZINC001172108537 815297755 /nfs/dbraw/zinc/29/77/55/815297755.db2.gz XITZUYWKLREORR-PHZGNYQRSA-N 2 1 282.391 2.279 20 30 CEEDMP C=CC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001034241293 809561635 /nfs/dbraw/zinc/56/16/35/809561635.db2.gz XKGVWXAONMIXSB-CVEARBPZSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001034241293 809561639 /nfs/dbraw/zinc/56/16/39/809561639.db2.gz XKGVWXAONMIXSB-CVEARBPZSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001034241293 809561640 /nfs/dbraw/zinc/56/16/40/809561640.db2.gz XKGVWXAONMIXSB-CVEARBPZSA-N 2 1 293.455 2.018 20 30 CEEDMP C[C@@H](Cc1ccc(C#N)cc1)n1cc[nH+]c1CCC[NH3+] ZINC001172308133 815364221 /nfs/dbraw/zinc/36/42/21/815364221.db2.gz ISLGAVLLSOLRNJ-ZDUSSCGKSA-N 2 1 268.364 2.450 20 30 CEEDMP C=C(C)CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001016340738 810424856 /nfs/dbraw/zinc/42/48/56/810424856.db2.gz ZKLLRLRFEYCRHY-HZPDHXFCSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001016340738 810424861 /nfs/dbraw/zinc/42/48/61/810424861.db2.gz ZKLLRLRFEYCRHY-HZPDHXFCSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001016340738 810424866 /nfs/dbraw/zinc/42/48/66/810424866.db2.gz ZKLLRLRFEYCRHY-HZPDHXFCSA-N 2 1 293.455 2.018 20 30 CEEDMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](NC(=[NH2+])c1ccc(Cl)cn1)C2 ZINC001169098625 811369613 /nfs/dbraw/zinc/36/96/13/811369613.db2.gz KBHGQOOXZBSKQK-CNDDSTCGSA-N 2 1 278.787 2.066 20 30 CEEDMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(F)c(C#N)c1)C2 ZINC001169100478 811372348 /nfs/dbraw/zinc/37/23/48/811372348.db2.gz JQTDRMYTOXWMAR-QKDCVEJESA-N 2 1 273.355 2.412 20 30 CEEDMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(F)c(C#N)c1)C2 ZINC001169100478 811372355 /nfs/dbraw/zinc/37/23/55/811372355.db2.gz JQTDRMYTOXWMAR-QKDCVEJESA-N 2 1 273.355 2.412 20 30 CEEDMP C=CCC[C@@H](C)[NH+]1CCN(C(=O)CC[N@H+](C)CCC)CC1 ZINC001113571579 812279926 /nfs/dbraw/zinc/27/99/26/812279926.db2.gz WJMNWFCHQXYZPP-MRXNPFEDSA-N 2 1 295.471 2.217 20 30 CEEDMP CCCCCCC[NH2+]CCNC(=O)C[N@@H+](C)C1CCC1 ZINC001129535199 812499532 /nfs/dbraw/zinc/49/95/32/812499532.db2.gz LIKFXKYWJIDRLR-UHFFFAOYSA-N 2 1 283.460 2.147 20 30 CEEDMP C=CC[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)CC[C@@H]1C ZINC001132508032 812873662 /nfs/dbraw/zinc/87/36/62/812873662.db2.gz BPKFLUHAGVGVPY-HOTGVXAUSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001052378168 812984837 /nfs/dbraw/zinc/98/48/37/812984837.db2.gz SNHRVWOGOMWGLU-HZPDHXFCSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001052378168 812984845 /nfs/dbraw/zinc/98/48/45/812984845.db2.gz SNHRVWOGOMWGLU-HZPDHXFCSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001052378168 812984852 /nfs/dbraw/zinc/98/48/52/812984852.db2.gz SNHRVWOGOMWGLU-HZPDHXFCSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CCCC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001134607135 813298279 /nfs/dbraw/zinc/29/82/79/813298279.db2.gz DJOYHVROBZDFGV-CABCVRRESA-N 2 1 295.471 2.310 20 30 CEEDMP C=C(C)CC[NH2+][C@H](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001146333484 814274996 /nfs/dbraw/zinc/27/49/96/814274996.db2.gz OHSUQKLKWPFRAC-KGLIPLIRSA-N 2 1 292.427 2.031 20 30 CEEDMP CCCCCCC[NH2+]CCNC(=O)C[N@@H+](C)CCC ZINC001148654784 814594350 /nfs/dbraw/zinc/59/43/50/814594350.db2.gz AEIKFVUBQLJTBF-UHFFFAOYSA-N 2 1 271.449 2.004 20 30 CEEDMP C=C(C)C[NH2+]C1(CNC(=O)CC[N@H+](C)CC)CCCCC1 ZINC001115805809 814757358 /nfs/dbraw/zinc/75/73/58/814757358.db2.gz HBZMLBMJOHGGMV-UHFFFAOYSA-N 2 1 295.471 2.313 20 30 CEEDMP C=CCO[C@H]1CC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC001116711531 814877338 /nfs/dbraw/zinc/87/73/38/814877338.db2.gz REBPXPMGEXNWJT-HNNXBMFYSA-N 2 1 252.402 2.139 20 30 CEEDMP C=CCO[C@H]1CC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC001116711531 814877332 /nfs/dbraw/zinc/87/73/32/814877332.db2.gz REBPXPMGEXNWJT-HNNXBMFYSA-N 2 1 252.402 2.139 20 30 CEEDMP C=CCOC1CCC([NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)CC1 ZINC001173319253 815691399 /nfs/dbraw/zinc/69/13/99/815691399.db2.gz BPBTUMXYEAOEEQ-SLTXQBBLSA-N 2 1 266.429 2.430 20 30 CEEDMP C=CCOC1CCC([NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)CC1 ZINC001173319253 815691407 /nfs/dbraw/zinc/69/14/07/815691407.db2.gz BPBTUMXYEAOEEQ-SLTXQBBLSA-N 2 1 266.429 2.430 20 30 CEEDMP CC[N@@H+]1CC[C@@H](NC(=[NH2+])c2ccc3cc(O)ccc3c2)C1 ZINC001173356188 815697424 /nfs/dbraw/zinc/69/74/24/815697424.db2.gz BNGDLITYZHGPIS-OAHLLOKOSA-N 2 1 283.375 2.345 20 30 CEEDMP CC[N@H+]1CC[C@@H](NC(=[NH2+])c2ccc3cc(O)ccc3c2)C1 ZINC001173356188 815697427 /nfs/dbraw/zinc/69/74/27/815697427.db2.gz BNGDLITYZHGPIS-OAHLLOKOSA-N 2 1 283.375 2.345 20 30 CEEDMP C=CCC[NH2+]CCCCCCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001179580244 816885386 /nfs/dbraw/zinc/88/53/86/816885386.db2.gz ARRNCJZCDYPKTR-INIZCTEOSA-N 2 1 295.471 2.313 20 30 CEEDMP C=C[C@H](CO)[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000289685888 344682574 /nfs/dbraw/zinc/68/25/74/344682574.db2.gz HZISHMBYTZWCAM-DJIMGWMZSA-N 2 1 274.408 2.034 20 30 CEEDMP COCC[NH+]1CCC([NH2+]C2CCC(C)(C#N)CC2)CC1 ZINC000449107503 260221273 /nfs/dbraw/zinc/22/12/73/260221273.db2.gz PZNAHOUTKUTKJK-UHFFFAOYSA-N 2 1 279.428 2.159 20 30 CEEDMP COc1cc(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)ccc1C#N ZINC000591282644 345237482 /nfs/dbraw/zinc/23/74/82/345237482.db2.gz JTFFWGBEACJFGP-OAHLLOKOSA-N 2 1 285.391 2.331 20 30 CEEDMP N#Cc1cccc(C[N@@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c1 ZINC000593314278 345465541 /nfs/dbraw/zinc/46/55/41/345465541.db2.gz BOFKHBVYSJWTDX-OKZBNKHCSA-N 2 1 299.418 2.277 20 30 CEEDMP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccc(C#N)cc1)C2 ZINC000595507447 345799475 /nfs/dbraw/zinc/79/94/75/345799475.db2.gz NIQIMAFYVGHAKV-QGZVFWFLSA-N 2 1 269.392 2.476 20 30 CEEDMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccc(C#N)cc1)C2 ZINC000595507447 345799478 /nfs/dbraw/zinc/79/94/78/345799478.db2.gz NIQIMAFYVGHAKV-QGZVFWFLSA-N 2 1 269.392 2.476 20 30 CEEDMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccc(C#N)cc1)C2 ZINC000595507447 345799482 /nfs/dbraw/zinc/79/94/82/345799482.db2.gz NIQIMAFYVGHAKV-QGZVFWFLSA-N 2 1 269.392 2.476 20 30 CEEDMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc(C#N)cc1)C2 ZINC000595507447 345799485 /nfs/dbraw/zinc/79/94/85/345799485.db2.gz NIQIMAFYVGHAKV-QGZVFWFLSA-N 2 1 269.392 2.476 20 30 CEEDMP Cc1nn(-c2ccncc2)cc1CN1CC[C@](C)(C#N)C1 ZINC000597232880 346156890 /nfs/dbraw/zinc/15/68/90/346156890.db2.gz XMUJISOSGQESHV-MRXNPFEDSA-N 2 1 281.363 2.311 20 30 CEEDMP C[C@H]1CCC[N@@H+](CCCC[NH2+]C[C@H](O)CC(C)(C)C#N)C1 ZINC000598716177 346406544 /nfs/dbraw/zinc/40/65/44/346406544.db2.gz ZCUBOCSSUSCRKN-JKSUJKDBSA-N 2 1 295.471 2.389 20 30 CEEDMP C[N@H+](Cc1ccc(C#N)cc1F)CC1CC[NH+](C)CC1 ZINC000063120756 362750592 /nfs/dbraw/zinc/75/05/92/362750592.db2.gz RHDOSXKQFNSGBW-UHFFFAOYSA-N 2 1 275.371 2.471 20 30 CEEDMP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cccc(C#N)c3)CC[C@@H]21 ZINC000129105914 365824751 /nfs/dbraw/zinc/82/47/51/365824751.db2.gz QJKWNOFIAGSDKN-IRXDYDNUSA-N 2 1 269.392 2.474 20 30 CEEDMP C[N@H+]1CCC[C@H]2C[NH+](Cc3cccc(C#N)c3)CC[C@@H]21 ZINC000129105914 365824754 /nfs/dbraw/zinc/82/47/54/365824754.db2.gz QJKWNOFIAGSDKN-IRXDYDNUSA-N 2 1 269.392 2.474 20 30 CEEDMP C[NH+]1CCC[C@H]2C[N@H+](Cc3cccc(C#N)c3)CC[C@@H]21 ZINC000129105914 365824756 /nfs/dbraw/zinc/82/47/56/365824756.db2.gz QJKWNOFIAGSDKN-IRXDYDNUSA-N 2 1 269.392 2.474 20 30 CEEDMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cccc(C#N)c3)CC[C@@H]21 ZINC000129105914 365824759 /nfs/dbraw/zinc/82/47/59/365824759.db2.gz QJKWNOFIAGSDKN-IRXDYDNUSA-N 2 1 269.392 2.474 20 30 CEEDMP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(C#N)cc3)CC[C@@H]21 ZINC000129105455 365825994 /nfs/dbraw/zinc/82/59/94/365825994.db2.gz LFPKFRHZQFGNDE-IRXDYDNUSA-N 2 1 269.392 2.474 20 30 CEEDMP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(C#N)cc3)CC[C@@H]21 ZINC000129105455 365826003 /nfs/dbraw/zinc/82/60/03/365826003.db2.gz LFPKFRHZQFGNDE-IRXDYDNUSA-N 2 1 269.392 2.474 20 30 CEEDMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(C#N)cc3)CC[C@@H]21 ZINC000129105455 365826011 /nfs/dbraw/zinc/82/60/11/365826011.db2.gz LFPKFRHZQFGNDE-IRXDYDNUSA-N 2 1 269.392 2.474 20 30 CEEDMP N#Cc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)o1 ZINC000600767259 346686152 /nfs/dbraw/zinc/68/61/52/346686152.db2.gz AHMYMAUVCKVLEV-KGLIPLIRSA-N 2 1 273.380 2.363 20 30 CEEDMP C[C@@H](CCC#N)C[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000602633169 347114449 /nfs/dbraw/zinc/11/44/49/347114449.db2.gz LMTBBOLIJCJCSY-GJZGRUSLSA-N 2 1 267.417 2.017 20 30 CEEDMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@H](C)CC2(C#N)CCOCC2)C1 ZINC000602654465 347125524 /nfs/dbraw/zinc/12/55/24/347125524.db2.gz BVONIFKKQIWWBC-CVEARBPZSA-N 2 1 293.455 2.405 20 30 CEEDMP C[C@@H](CCC#N)C[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000618887334 349060167 /nfs/dbraw/zinc/06/01/67/349060167.db2.gz UZSUUHIIVJLZIT-DLBZAZTESA-N 2 1 292.471 2.028 20 30 CEEDMP N#Cc1cccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000150767315 366595506 /nfs/dbraw/zinc/59/55/06/366595506.db2.gz FFLWJTAZKFCORL-QGZVFWFLSA-N 2 1 269.392 2.476 20 30 CEEDMP N#Cc1cccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000150767315 366595513 /nfs/dbraw/zinc/59/55/13/366595513.db2.gz FFLWJTAZKFCORL-QGZVFWFLSA-N 2 1 269.392 2.476 20 30 CEEDMP C=CC[NH+]1CCC(NC2CC[NH+](CCC)CC2)CC1 ZINC000675828514 540876873 /nfs/dbraw/zinc/87/68/73/540876873.db2.gz QYRWLAUIPXPCCP-UHFFFAOYSA-N 2 1 265.445 2.101 20 30 CEEDMP C#CCOc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC)C2)cc1 ZINC000093770415 364225343 /nfs/dbraw/zinc/22/53/43/364225343.db2.gz SWIPAQJCHJAFSI-KRWDZBQOSA-N 2 1 286.419 2.472 20 30 CEEDMP C#CCOc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CC)C2)cc1 ZINC000093770415 364225345 /nfs/dbraw/zinc/22/53/45/364225345.db2.gz SWIPAQJCHJAFSI-KRWDZBQOSA-N 2 1 286.419 2.472 20 30 CEEDMP C#CCOc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CC)C2)cc1 ZINC000093770415 364225347 /nfs/dbraw/zinc/22/53/47/364225347.db2.gz SWIPAQJCHJAFSI-KRWDZBQOSA-N 2 1 286.419 2.472 20 30 CEEDMP C#CCOc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC)C2)cc1 ZINC000093770415 364225348 /nfs/dbraw/zinc/22/53/48/364225348.db2.gz SWIPAQJCHJAFSI-KRWDZBQOSA-N 2 1 286.419 2.472 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)CCn2cccn2)CC1 ZINC000158828506 366860338 /nfs/dbraw/zinc/86/03/38/366860338.db2.gz BRFIANAXQMVSPK-HNNXBMFYSA-N 2 1 276.428 2.292 20 30 CEEDMP Cn1ccnc1[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC000335748370 364925630 /nfs/dbraw/zinc/92/56/30/364925630.db2.gz UOHIWRFKEOSECP-CQSZACIVSA-N 2 1 284.338 2.420 20 30 CEEDMP C[N@@H+](CCOc1ccccc1C#N)C[C@@H]1CCC[NH+](C)C1 ZINC000118842482 365181519 /nfs/dbraw/zinc/18/15/19/365181519.db2.gz RCFBPXSIKPKOQI-OAHLLOKOSA-N 2 1 287.407 2.211 20 30 CEEDMP C[NH+](CCOc1ccccc1C#N)C[C@@H]1CCC[N@H+](C)C1 ZINC000118842482 365181521 /nfs/dbraw/zinc/18/15/21/365181521.db2.gz RCFBPXSIKPKOQI-OAHLLOKOSA-N 2 1 287.407 2.211 20 30 CEEDMP C[NH+](CCOc1ccccc1C#N)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118842482 365181522 /nfs/dbraw/zinc/18/15/22/365181522.db2.gz RCFBPXSIKPKOQI-OAHLLOKOSA-N 2 1 287.407 2.211 20 30 CEEDMP CC[N@@H+](C)C[C@H]1CCN(Cc2cccc(C#N)c2F)C1 ZINC000340906206 367083850 /nfs/dbraw/zinc/08/38/50/367083850.db2.gz LSQUZOMEVFUIHD-CYBMUJFWSA-N 2 1 275.371 2.471 20 30 CEEDMP C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](C)CCCn1ccnc1 ZINC000181105706 368422794 /nfs/dbraw/zinc/42/27/94/368422794.db2.gz WUFHTBFANMXIFQ-HNNXBMFYSA-N 2 1 292.427 2.018 20 30 CEEDMP C=CCOc1ccc(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)cc1OC ZINC000346690252 368772913 /nfs/dbraw/zinc/77/29/13/368772913.db2.gz SZPSLVQKCITHEV-ZFWWWQNUSA-N 2 1 290.407 2.429 20 30 CEEDMP C=C(CC)C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634716750 368836848 /nfs/dbraw/zinc/83/68/48/368836848.db2.gz ZBRTXOFZENEGAR-QGZVFWFLSA-N 2 1 274.408 2.179 20 30 CEEDMP C=C(CC)C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634716750 368836852 /nfs/dbraw/zinc/83/68/52/368836852.db2.gz ZBRTXOFZENEGAR-QGZVFWFLSA-N 2 1 274.408 2.179 20 30 CEEDMP C=CCC[C@@H](O)C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000351623450 369644917 /nfs/dbraw/zinc/64/49/17/369644917.db2.gz ZFAYQXPSJHGGFD-MRXNPFEDSA-N 2 1 266.429 2.264 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+]CCC[C@H]2CCO2)CC1 ZINC000638523486 370590467 /nfs/dbraw/zinc/59/04/67/370590467.db2.gz BOIYTOAGPFLHLT-HNNXBMFYSA-N 2 1 252.402 2.186 20 30 CEEDMP CC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(C#N)c2)[C@@H](C)C1 ZINC000246819345 371015822 /nfs/dbraw/zinc/01/58/22/371015822.db2.gz CDNWDNHRAKJPEI-BBRMVZONSA-N 2 1 257.381 2.378 20 30 CEEDMP CC[N@H+]1CC[C@H]([NH2+]Cc2cccc(C#N)c2)[C@@H](C)C1 ZINC000246819345 371015824 /nfs/dbraw/zinc/01/58/24/371015824.db2.gz CDNWDNHRAKJPEI-BBRMVZONSA-N 2 1 257.381 2.378 20 30 CEEDMP C=CCOc1ccc(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)cc1OC ZINC000261807931 371737773 /nfs/dbraw/zinc/73/77/73/371737773.db2.gz OOTZJKOHQHQPOE-KRWDZBQOSA-N 2 1 290.407 2.431 20 30 CEEDMP C=CCOc1ccc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)cc1OC ZINC000261807931 371737783 /nfs/dbraw/zinc/73/77/83/371737783.db2.gz OOTZJKOHQHQPOE-KRWDZBQOSA-N 2 1 290.407 2.431 20 30 CEEDMP CC[N@H+]1CC[C@@H](CNC(=[NH2+])Nc2ccc(C)c(C)c2)C1 ZINC000264084076 371965397 /nfs/dbraw/zinc/96/53/97/371965397.db2.gz ILSRTTVSOJZMCU-AWEZNQCLSA-N 2 1 274.412 2.372 20 30 CEEDMP C[NH+]=C(NCCC[N@H+]1CCCC[C@H]1C)NCc1ccco1 ZINC000264079474 371965728 /nfs/dbraw/zinc/96/57/28/371965728.db2.gz UFOLBGLSVQMRPS-CQSZACIVSA-N 2 1 292.427 2.209 20 30 CEEDMP COc1ccc(NC(=[NH2+])NCCCn2cc[nH+]c2C)cc1 ZINC000264115638 371972898 /nfs/dbraw/zinc/97/28/98/371972898.db2.gz SOERBUSMESMMNZ-UHFFFAOYSA-N 2 1 287.367 2.017 20 30 CEEDMP C=CC[NH+](CCOCC[N@H+](CC=C)C1CC1)C1CC1 ZINC000271389583 373189630 /nfs/dbraw/zinc/18/96/30/373189630.db2.gz JTLVBCRCNBSNPL-UHFFFAOYSA-N 2 1 264.413 2.304 20 30 CEEDMP C=CCNC(=[NH2+])NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000374006535 374464671 /nfs/dbraw/zinc/46/46/71/374464671.db2.gz UOOQMJPMTPUMGQ-KRWDZBQOSA-N 2 1 286.423 2.199 20 30 CEEDMP COc1ccc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)cc1C#N ZINC000290459797 376789576 /nfs/dbraw/zinc/78/95/76/376789576.db2.gz MYQCRXADGISYKI-RDJZCZTQSA-N 2 1 299.418 2.483 20 30 CEEDMP COc1ccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)cc1C#N ZINC000290459797 376789587 /nfs/dbraw/zinc/78/95/87/376789587.db2.gz MYQCRXADGISYKI-RDJZCZTQSA-N 2 1 299.418 2.483 20 30 CEEDMP COc1ccc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc1C#N ZINC000290459797 376789594 /nfs/dbraw/zinc/78/95/94/376789594.db2.gz MYQCRXADGISYKI-RDJZCZTQSA-N 2 1 299.418 2.483 20 30 CEEDMP COc1ccc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)cc1C#N ZINC000290459797 376789602 /nfs/dbraw/zinc/78/96/02/376789602.db2.gz MYQCRXADGISYKI-RDJZCZTQSA-N 2 1 299.418 2.483 20 30 CEEDMP C[C@H]1CC[N@@H+](Cc2ccc(C#N)cn2)C[C@@H]1n1ccnc1 ZINC000562925261 377024083 /nfs/dbraw/zinc/02/40/83/377024083.db2.gz FGZXVOKQSFEKEY-BBRMVZONSA-N 2 1 281.363 2.233 20 30 CEEDMP C[C@H]1CCN(Cc2ccc(C#N)cn2)C[C@@H]1n1ccnc1 ZINC000562925261 377024095 /nfs/dbraw/zinc/02/40/95/377024095.db2.gz FGZXVOKQSFEKEY-BBRMVZONSA-N 2 1 281.363 2.233 20 30 CEEDMP C=CC[NH+]1CCC([NH2+]CCC(=O)Nc2ccccc2)CC1 ZINC000562986494 377046280 /nfs/dbraw/zinc/04/62/80/377046280.db2.gz ZQUCFAJGGUSWRH-UHFFFAOYSA-N 2 1 287.407 2.255 20 30 CEEDMP COc1cc(C#N)ccc1CN1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000292926740 377355593 /nfs/dbraw/zinc/35/55/93/377355593.db2.gz IPZHLURPASLUQO-SFHVURJKSA-N 2 1 299.418 2.485 20 30 CEEDMP C[C@H](C[NH2+]Cc1cc(C#N)cs1)C[NH+]1CCCC1 ZINC000093492405 249310946 /nfs/dbraw/zinc/31/09/46/249310946.db2.gz AIGFZHGJPUIHFQ-GFCCVEGCSA-N 2 1 263.410 2.441 20 30 CEEDMP C=CCC[C@H](C)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432415088 377758933 /nfs/dbraw/zinc/75/89/33/377758933.db2.gz MRHKIVHGXHWQTE-LSDHHAIUSA-N 2 1 254.418 2.432 20 30 CEEDMP C=CCC[C@H](C)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432415088 377758940 /nfs/dbraw/zinc/75/89/40/377758940.db2.gz MRHKIVHGXHWQTE-LSDHHAIUSA-N 2 1 254.418 2.432 20 30 CEEDMP N#C[C@H]1CC[C@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)C1 ZINC000442655523 377976555 /nfs/dbraw/zinc/97/65/55/377976555.db2.gz SUVOZKMCUNCXRV-YJBOKZPZSA-N 2 1 299.418 2.301 20 30 CEEDMP C=C[C@@H](CO)[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449330310 378203365 /nfs/dbraw/zinc/20/33/65/378203365.db2.gz SSMBCNMJMHDDFY-WBVHZDCISA-N 2 1 288.435 2.219 20 30 CEEDMP C=C[C@H](CO)[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449330307 378203499 /nfs/dbraw/zinc/20/34/99/378203499.db2.gz SSMBCNMJMHDDFY-DOTOQJQBSA-N 2 1 288.435 2.219 20 30 CEEDMP C(#CC[N@H+]1CC[C@@H](C2CC2)C1)C[NH+]1CC[C@@H](C2CC2)C1 ZINC000556499295 380908495 /nfs/dbraw/zinc/90/84/95/380908495.db2.gz DNIMQLXJKKSFSO-QZTJIDSGSA-N 2 1 272.436 2.454 20 30 CEEDMP CCNC(NC[C@@H]1CC[N@@H+](C)[C@@H]1c1cccs1)=[NH+]CC ZINC000361944864 394839007 /nfs/dbraw/zinc/83/90/07/394839007.db2.gz RCOSJWPAYYLKRC-JSGCOSHPSA-N 2 1 294.468 2.316 20 30 CEEDMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]3O[C@H](CC#N)C[C@H]32)C1 ZINC000362236451 394849889 /nfs/dbraw/zinc/84/98/89/394849889.db2.gz FQWXFVMUZRJOGV-UUAJXVIYSA-N 2 1 291.439 2.158 20 30 CEEDMP C[C@@H]1CC[N@@H+](CCCSCC#N)C[C@@H]1n1ccnc1 ZINC000136083827 394969570 /nfs/dbraw/zinc/96/95/70/394969570.db2.gz TXTCJIAOXDORRU-KGLIPLIRSA-N 2 1 278.425 2.413 20 30 CEEDMP C=CCCC[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000373123792 395054916 /nfs/dbraw/zinc/05/49/16/395054916.db2.gz IJNYYOOXOYXBER-MRXNPFEDSA-N 2 1 265.445 2.055 20 30 CEEDMP C=CCCC[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000373123792 395054919 /nfs/dbraw/zinc/05/49/19/395054919.db2.gz IJNYYOOXOYXBER-MRXNPFEDSA-N 2 1 265.445 2.055 20 30 CEEDMP C=C[C@H](CO)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000289647492 395082585 /nfs/dbraw/zinc/08/25/85/395082585.db2.gz GBCCAITUKPVGTN-ZJPYXAASSA-N 2 1 286.419 2.319 20 30 CEEDMP C#CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000377319794 395136819 /nfs/dbraw/zinc/13/68/19/395136819.db2.gz ZKXGJUZDLIEAIM-QZTJIDSGSA-N 2 1 268.404 2.464 20 30 CEEDMP C#CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000377319794 395136821 /nfs/dbraw/zinc/13/68/21/395136821.db2.gz ZKXGJUZDLIEAIM-QZTJIDSGSA-N 2 1 268.404 2.464 20 30 CEEDMP C#CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000377319794 395136826 /nfs/dbraw/zinc/13/68/26/395136826.db2.gz ZKXGJUZDLIEAIM-QZTJIDSGSA-N 2 1 268.404 2.464 20 30 CEEDMP C[C@H](CCC#N)[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000351274489 395198380 /nfs/dbraw/zinc/19/83/80/395198380.db2.gz ZHNHQDHEUBEREF-IKGGRYGDSA-N 2 1 292.471 2.169 20 30 CEEDMP C=CC[N@H+](Cc1cccs1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662249286 415712469 /nfs/dbraw/zinc/71/24/69/415712469.db2.gz SEILOUWWZRURKU-ZDUSSCGKSA-N 2 1 278.421 2.257 20 30 CEEDMP C#Cc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1 ZINC000368024417 260308764 /nfs/dbraw/zinc/30/87/64/260308764.db2.gz UIBIHNLGCGJBOV-IPMKNSEASA-N 2 1 298.430 2.351 20 30 CEEDMP C=CCOc1ccc(C[NH2+]C[C@@H]([NH3+])C(C)C)cc1OC ZINC000414804901 263052086 /nfs/dbraw/zinc/05/20/86/263052086.db2.gz YFGVBZVDMMCLGU-CQSZACIVSA-N 2 1 278.396 2.333 20 30 CEEDMP C[N@@H+](CCCn1ccnc1)Cc1cccc(F)c1C#N ZINC000428296746 271255638 /nfs/dbraw/zinc/25/56/38/271255638.db2.gz YQRYTLGUXPUFBN-UHFFFAOYSA-N 2 1 272.327 2.416 20 30 CEEDMP C=CCC[C@H](C)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000415051342 328299145 /nfs/dbraw/zinc/29/91/45/328299145.db2.gz JKFNGSZDHKAIJI-FHERZECASA-N 2 1 265.445 2.147 20 30 CEEDMP CC[NH+]1CCN(CCCC[NH2+][C@H]2CCC[C@@H](C#N)C2)CC1 ZINC000185777366 329331532 /nfs/dbraw/zinc/33/15/32/329331532.db2.gz FPCIZMCQNYFEIM-SJORKVTESA-N 2 1 292.471 2.076 20 30 CEEDMP C=CCN(CC=C)[C@H](C[NH2+][C@@H]1CCC[C@H]1[NH3+])C(C)C ZINC000422827687 330156631 /nfs/dbraw/zinc/15/66/31/330156631.db2.gz FAWXOZPRSLGXSB-BZUAXINKSA-N 2 1 265.445 2.154 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc([S@](C)=O)cc1 ZINC000491209498 332166280 /nfs/dbraw/zinc/16/62/80/332166280.db2.gz IALAJBDNLZMUFP-VLIAUNLRSA-N 2 1 292.448 2.030 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccc([S@](C)=O)cc1 ZINC000491209498 332166281 /nfs/dbraw/zinc/16/62/81/332166281.db2.gz IALAJBDNLZMUFP-VLIAUNLRSA-N 2 1 292.448 2.030 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000381399724 336061682 /nfs/dbraw/zinc/06/16/82/336061682.db2.gz OGXIFZVPFHTHCO-ZDUSSCGKSA-N 2 1 274.364 2.021 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000381399724 336061683 /nfs/dbraw/zinc/06/16/83/336061683.db2.gz OGXIFZVPFHTHCO-ZDUSSCGKSA-N 2 1 274.364 2.021 20 30 CEEDMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(=NN2CC[NH+](C)CC2)CC1 ZINC000733902348 574690030 /nfs/dbraw/zinc/69/00/30/574690030.db2.gz QNFFUUPWVWVYOA-WBVHZDCISA-N 2 1 292.471 2.264 20 30 CEEDMP CCc1ccc(NC(=[NH2+])NC[C@@H]2CCC[N@@H+]2CC)cc1 ZINC000104153961 624319655 /nfs/dbraw/zinc/31/96/55/624319655.db2.gz PWGNPHDVQNFFLN-HNNXBMFYSA-N 2 1 274.412 2.460 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1C[C@@H](OCC)C12CCCC2 ZINC000328138771 627858767 /nfs/dbraw/zinc/85/87/67/627858767.db2.gz ZKXPPJBNBXIYOW-HZPDHXFCSA-N 2 1 278.440 2.269 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1C[C@@H](OCC)C12CCCC2 ZINC000328138771 627858775 /nfs/dbraw/zinc/85/87/75/627858775.db2.gz ZKXPPJBNBXIYOW-HZPDHXFCSA-N 2 1 278.440 2.269 20 30 CEEDMP CC1(C)C[NH2+]C[C@@H]1[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000902440804 634658396 /nfs/dbraw/zinc/65/83/96/634658396.db2.gz AGAPNOOTIOHMET-KRWDZBQOSA-N 2 1 298.434 2.115 20 30 CEEDMP CC[C@@H](C)NC(=[NH2+])NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000195165048 628527348 /nfs/dbraw/zinc/52/73/48/628527348.db2.gz GEQCFWIBBAVWIQ-ZBFHGGJFSA-N 2 1 288.439 2.211 20 30 CEEDMP C[C@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1cccc(C#N)c1 ZINC000925785462 628823463 /nfs/dbraw/zinc/82/34/63/628823463.db2.gz UMQVWHSVWQJKPL-SMDDNHRTSA-N 2 1 279.334 2.454 20 30 CEEDMP CCC[N@H+]1CC[C@H](CNC(=[NH+]C)N2CC[C@](C)(CC)C2)C1 ZINC000261659135 628970416 /nfs/dbraw/zinc/97/04/16/628970416.db2.gz AVIXGEWJYFXBLP-WBVHZDCISA-N 2 1 294.487 2.416 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+]Cc1csc(C)c1C ZINC000883131389 630317213 /nfs/dbraw/zinc/31/72/13/630317213.db2.gz ZYDLEVBRSZQQPZ-UHFFFAOYSA-N 2 1 250.411 2.410 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1csc(C)c1C ZINC000883131389 630317216 /nfs/dbraw/zinc/31/72/16/630317216.db2.gz ZYDLEVBRSZQQPZ-UHFFFAOYSA-N 2 1 250.411 2.410 20 30 CEEDMP C#CCOc1ccc(C[N@@H+](C)CCC[NH+](C)C)cc1 ZINC000809729258 632133290 /nfs/dbraw/zinc/13/32/90/632133290.db2.gz CANBTHCICKZSMB-UHFFFAOYSA-N 2 1 260.381 2.082 20 30 CEEDMP C#CCOc1ccc(C[N@H+](C)CCC[NH+](C)C)cc1 ZINC000809729258 632133296 /nfs/dbraw/zinc/13/32/96/632133296.db2.gz CANBTHCICKZSMB-UHFFFAOYSA-N 2 1 260.381 2.082 20 30 CEEDMP C#CCOc1ccc([C@@H](C)[NH2+][C@H](C[NH3+])C2CC2)cc1 ZINC000817959756 633800572 /nfs/dbraw/zinc/80/05/72/633800572.db2.gz IGRFGBNTOSOXJA-MLGOLLRUSA-N 2 1 258.365 2.087 20 30 CEEDMP N#CC1CCC(C[N@H+]2CCC3(C2)CC[NH2+]CC3)CC1 ZINC000903447337 635132789 /nfs/dbraw/zinc/13/27/89/635132789.db2.gz OXQKTUUQOYIALF-UHFFFAOYSA-N 2 1 261.413 2.392 20 30 CEEDMP N#Cc1ccc(CC[NH2+][C@H]2CC[NH2+]C23CCCC3)cc1 ZINC000903481603 635148666 /nfs/dbraw/zinc/14/86/66/635148666.db2.gz HNPIJYCJJHZWNW-INIZCTEOSA-N 2 1 269.392 2.365 20 30 CEEDMP C=CC[C@@H]1CCC[N@@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903767328 635259391 /nfs/dbraw/zinc/25/93/91/635259391.db2.gz VPZWROGKVDTRRW-BZUAXINKSA-N 2 1 264.413 2.043 20 30 CEEDMP C[N@@H+](Cc1cc(C#N)cnc1Cl)CC1CC[NH+](C)CC1 ZINC000876690682 650401665 /nfs/dbraw/zinc/40/16/65/650401665.db2.gz PFQINPVKCMQIIU-UHFFFAOYSA-N 2 1 292.814 2.380 20 30 CEEDMP C[N@H+](Cc1cc(C#N)cnc1Cl)CC1CC[NH+](C)CC1 ZINC000876690682 650401667 /nfs/dbraw/zinc/40/16/67/650401667.db2.gz PFQINPVKCMQIIU-UHFFFAOYSA-N 2 1 292.814 2.380 20 30 CEEDMP CC[NH+]=C(NC[C@@H]1CC[N@H+](C(C)C)C1)NC(C)(C)C ZINC000912499146 638708468 /nfs/dbraw/zinc/70/84/68/638708468.db2.gz MCBBWMXVYMOULI-ZDUSSCGKSA-N 2 1 268.449 2.070 20 30 CEEDMP C#Cc1cccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000848552528 642049558 /nfs/dbraw/zinc/04/95/58/642049558.db2.gz LYHMNUQZTXGFBV-GOSISDBHSA-N 2 1 284.403 2.011 20 30 CEEDMP C=CCC(C)(C)CNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC ZINC000849031121 642243641 /nfs/dbraw/zinc/24/36/41/642243641.db2.gz UXFBUOKFQWUBIE-ZDUSSCGKSA-N 2 1 266.433 2.187 20 30 CEEDMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2csc(C#N)c2)C1 ZINC000921618624 642270498 /nfs/dbraw/zinc/27/04/98/642270498.db2.gz JKRPFWJGHPSIBH-GFCCVEGCSA-N 2 1 263.410 2.440 20 30 CEEDMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2csc(C#N)c2)C1 ZINC000921618624 642270501 /nfs/dbraw/zinc/27/05/01/642270501.db2.gz JKRPFWJGHPSIBH-GFCCVEGCSA-N 2 1 263.410 2.440 20 30 CEEDMP C#CCOCC[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000852041327 643275362 /nfs/dbraw/zinc/27/53/62/643275362.db2.gz SAHGUIGFQYIMLM-IBGZPJMESA-N 2 1 298.430 2.234 20 30 CEEDMP C=CCC[C@H](O)C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000923358799 643677296 /nfs/dbraw/zinc/67/72/96/643677296.db2.gz KOHQZIISLSAEJX-PMPSAXMXSA-N 2 1 266.429 2.025 20 30 CEEDMP N#Cc1ccc([C@H](O)C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000923364328 643679430 /nfs/dbraw/zinc/67/94/30/643679430.db2.gz MEXHCWDJRRGAOQ-KZNAEPCWSA-N 2 1 299.418 2.056 20 30 CEEDMP N#Cc1ccc2c(c1)C[C@H]([NH2+][C@H]1CC[N@H+]3CCC[C@H]3C1)C2 ZINC000865847921 647492330 /nfs/dbraw/zinc/49/23/30/647492330.db2.gz PSSRNYGUVAQELA-KSZLIROESA-N 2 1 281.403 2.242 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCCc2ncccc21 ZINC000866365004 647757856 /nfs/dbraw/zinc/75/78/56/647757856.db2.gz UNOVNCLGEJZDHW-MRXNPFEDSA-N 2 1 257.381 2.004 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCCc2ncccc21 ZINC000866365004 647757859 /nfs/dbraw/zinc/75/78/59/647757859.db2.gz UNOVNCLGEJZDHW-MRXNPFEDSA-N 2 1 257.381 2.004 20 30 CEEDMP C#C[C@@H](C)[NH+](C)Cc1cc(C#N)cc(C[N@H+](C)[C@H](C)C#C)c1 ZINC000878517117 651119122 /nfs/dbraw/zinc/11/91/22/651119122.db2.gz NKWZHCZDHGKNDD-HZPDHXFCSA-N 2 1 293.414 2.465 20 30 CEEDMP C=C(C)CC[N@H+](CCOC)CC1CC[NH+](C)CC1 ZINC000879125698 651247597 /nfs/dbraw/zinc/24/75/97/651247597.db2.gz GOLHIBRWJLXQGH-UHFFFAOYSA-N 2 1 254.418 2.243 20 30 CEEDMP C=CC[C@H](C(=O)OC)[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000880517203 651454087 /nfs/dbraw/zinc/45/40/87/651454087.db2.gz LVMGGJLSHUDYNR-OAHLLOKOSA-N 2 1 282.428 2.302 20 30 CEEDMP C=CC[C@H](C(=O)OC)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000880517203 651454088 /nfs/dbraw/zinc/45/40/88/651454088.db2.gz LVMGGJLSHUDYNR-OAHLLOKOSA-N 2 1 282.428 2.302 20 30 CEEDMP C=CC[C@H](C)[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000883434746 652468867 /nfs/dbraw/zinc/46/88/67/652468867.db2.gz ZUBCMHPTRKEJSO-BYNSBNAKSA-N 2 1 252.402 2.169 20 30 CEEDMP C=CC[NH+]1CCN(c2[nH+]c(C)cc3[nH]ccc32)CC1 ZINC001165031836 721867923 /nfs/dbraw/zinc/86/79/23/721867923.db2.gz XIKSVPQEIBOGNT-UHFFFAOYSA-N 2 1 256.353 2.179 20 30 CEEDMP C=C(C)C[NH2+]C[C@@]1(C)CCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001270829155 805579548 /nfs/dbraw/zinc/57/95/48/805579548.db2.gz JIZKKMMYIMGBTB-QGZVFWFLSA-N 2 1 295.471 2.123 20 30 CEEDMP C=CCCC[NH2+]CCCNC(=O)CCCn1cc[nH+]c1C ZINC001168369258 806913650 /nfs/dbraw/zinc/91/36/50/806913650.db2.gz MDMIOYWIGRMZQP-UHFFFAOYSA-N 2 1 292.427 2.034 20 30 CEEDMP C=C(C)C[NH+]1CCC[C@@H]1CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001266482468 802625082 /nfs/dbraw/zinc/62/50/82/802625082.db2.gz CBHRONILEUUQRW-OAHLLOKOSA-N 2 1 295.471 2.121 20 30 CEEDMP C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001266482468 802625085 /nfs/dbraw/zinc/62/50/85/802625085.db2.gz CBHRONILEUUQRW-OAHLLOKOSA-N 2 1 295.471 2.121 20 30 CEEDMP C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001266482468 802625089 /nfs/dbraw/zinc/62/50/89/802625089.db2.gz CBHRONILEUUQRW-OAHLLOKOSA-N 2 1 295.471 2.121 20 30 CEEDMP C=CCCCCC[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001127066276 807002498 /nfs/dbraw/zinc/00/24/98/807002498.db2.gz KUSAGJCBANNKCU-MRXNPFEDSA-N 2 1 295.471 2.311 20 30 CEEDMP C=CCC[N@@H+]1CC[C@](C)(NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001046449486 811754605 /nfs/dbraw/zinc/75/46/05/811754605.db2.gz FXAQWHJODIRIAR-KRWDZBQOSA-N 2 1 298.390 2.105 20 30 CEEDMP C=CCC[C@@H](C)[NH2+]CCN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001267418619 803460464 /nfs/dbraw/zinc/46/04/64/803460464.db2.gz MAAFLOVHLDNHBM-PMPSAXMXSA-N 2 1 295.471 2.119 20 30 CEEDMP C=CCC[NH+](C)CC1CCN(C(=O)C[N@H+](C)CCC)CC1 ZINC001267604500 803598140 /nfs/dbraw/zinc/59/81/40/803598140.db2.gz SRAVFKCNSHKMPE-UHFFFAOYSA-N 2 1 295.471 2.075 20 30 CEEDMP C=CCC[N@@H+](C)CC1CCN(C(=O)C[NH+](C)CCC)CC1 ZINC001267604500 803598142 /nfs/dbraw/zinc/59/81/42/803598142.db2.gz SRAVFKCNSHKMPE-UHFFFAOYSA-N 2 1 295.471 2.075 20 30 CEEDMP N#CC1(c2ccccc2)CC([NH2+]CCC[NH2+]C2CC2)C1 ZINC001118059344 814981438 /nfs/dbraw/zinc/98/14/38/814981438.db2.gz NHJMAVAPTUAYIO-UHFFFAOYSA-N 2 1 269.392 2.342 20 30 CEEDMP C=CCC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001027918144 804342294 /nfs/dbraw/zinc/34/22/94/804342294.db2.gz KQUPUYDNVNKYPO-CVEARBPZSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001027918144 804342302 /nfs/dbraw/zinc/34/23/02/804342302.db2.gz KQUPUYDNVNKYPO-CVEARBPZSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001027918144 804342311 /nfs/dbraw/zinc/34/23/11/804342311.db2.gz KQUPUYDNVNKYPO-CVEARBPZSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)C[NH2+]C[C@@H](C)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001268655738 804911712 /nfs/dbraw/zinc/91/17/12/804911712.db2.gz BUONCCPIQBTEBU-OAHLLOKOSA-N 2 1 295.471 2.311 20 30 CEEDMP C=C(C)CC[NH2+][C@H]1CN(C(=O)CC[N@H+](C)CC)CC1(C)C ZINC001284336779 804995270 /nfs/dbraw/zinc/99/52/70/804995270.db2.gz VGFDMSIZXNKPKJ-HNNXBMFYSA-N 2 1 295.471 2.121 20 30 CEEDMP C=CCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001270215293 805373639 /nfs/dbraw/zinc/37/36/39/805373639.db2.gz AHQGUFJQECNHRG-CVEARBPZSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)[C@H]1C ZINC001088896776 807268021 /nfs/dbraw/zinc/26/80/21/807268021.db2.gz BUENQANXEJOLHI-PMPSAXMXSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CC[N@@H+]1CCC[C@@H]1c1ccc(-n2ccnc2C(N)=[NH2+])cc1 ZINC001168420236 807273977 /nfs/dbraw/zinc/27/39/77/807273977.db2.gz QZLQTSSAEMFBOQ-OAHLLOKOSA-N 2 1 295.390 2.479 20 30 CEEDMP C=CC[NH2+][C@H]1CCCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC000999354516 808794026 /nfs/dbraw/zinc/79/40/26/808794026.db2.gz QHQKRQWOBXXLHX-HOTGVXAUSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CCC[NH+]1CCCC[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001034397821 809600831 /nfs/dbraw/zinc/60/08/31/809600831.db2.gz LUEIIKNMBBEYBP-HOTGVXAUSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCC[N@H+]1CCCC[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001034397821 809600837 /nfs/dbraw/zinc/60/08/37/809600837.db2.gz LUEIIKNMBBEYBP-HOTGVXAUSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCC[N@@H+]1CCCC[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001034397821 809600843 /nfs/dbraw/zinc/60/08/43/809600843.db2.gz LUEIIKNMBBEYBP-HOTGVXAUSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001019468043 810713788 /nfs/dbraw/zinc/71/37/88/810713788.db2.gz DXOIRAKYKQFMMN-JKSUJKDBSA-N 2 1 293.455 2.016 20 30 CEEDMP C#CCCC1(CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)N=N1 ZINC001169124653 811392240 /nfs/dbraw/zinc/39/22/40/811392240.db2.gz RYKXEUOIWMXIIP-ZSOGYDGISA-N 2 1 260.385 2.167 20 30 CEEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[N@H+](C)CCC)C2 ZINC001110019111 811984958 /nfs/dbraw/zinc/98/49/58/811984958.db2.gz FRYOZIYJEYKDGH-PMPSAXMXSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)CCC)C2 ZINC001110019111 811984962 /nfs/dbraw/zinc/98/49/62/811984962.db2.gz FRYOZIYJEYKDGH-PMPSAXMXSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)CCC)C2 ZINC001110019111 811984966 /nfs/dbraw/zinc/98/49/66/811984966.db2.gz FRYOZIYJEYKDGH-PMPSAXMXSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CCC[C@@H](C)[NH+]1CCN(C(=O)C(C)(C)[N@H+](C)CC)CC1 ZINC001113033108 812149305 /nfs/dbraw/zinc/14/93/05/812149305.db2.gz ZQAVHNDUZDUPFK-OAHLLOKOSA-N 2 1 295.471 2.216 20 30 CEEDMP C=C(C)C[NH+]1C[C@H](NC(=O)C(C)(C)[N@H+](C)CC)CC[C@H]1C ZINC001132153682 812791660 /nfs/dbraw/zinc/79/16/60/812791660.db2.gz SVUYAUXKAWQHQL-HUUCEWRRSA-N 2 1 295.471 2.262 20 30 CEEDMP C=C(C)C[N@@H+]1C[C@H](NC(=O)C(C)(C)[NH+](C)CC)CC[C@H]1C ZINC001132153682 812791662 /nfs/dbraw/zinc/79/16/62/812791662.db2.gz SVUYAUXKAWQHQL-HUUCEWRRSA-N 2 1 295.471 2.262 20 30 CEEDMP C=C(C)C[N@H+]1C[C@H](NC(=O)C(C)(C)[NH+](C)CC)CC[C@H]1C ZINC001132153682 812791670 /nfs/dbraw/zinc/79/16/70/812791670.db2.gz SVUYAUXKAWQHQL-HUUCEWRRSA-N 2 1 295.471 2.262 20 30 CEEDMP C=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001170742958 813243846 /nfs/dbraw/zinc/24/38/46/813243846.db2.gz OZNOWZFXAYCGKD-HZPDHXFCSA-N 2 1 295.471 2.310 20 30 CEEDMP C=CCCCCC[NH2+]CCCNC(=O)C[N@H+](C)C1CCC1 ZINC001159997672 813715712 /nfs/dbraw/zinc/71/57/12/813715712.db2.gz XROFUUBMXRHJSW-UHFFFAOYSA-N 2 1 295.471 2.313 20 30 CEEDMP C[C@H](Cc1cccc(C#N)c1)n1c[nH+]cc1CC[NH3+] ZINC001171176393 814060831 /nfs/dbraw/zinc/06/08/31/814060831.db2.gz RRSXGQSDVPTFHH-GFCCVEGCSA-N 2 1 254.337 2.060 20 30 CEEDMP C=CC[NH2+]C1CC(CNC(=O)C[N@H+](C)CCCCCC)C1 ZINC001100765235 814182654 /nfs/dbraw/zinc/18/26/54/814182654.db2.gz ZLQWMXFVNBSCEI-UHFFFAOYSA-N 2 1 295.471 2.169 20 30 CEEDMP C=C(C)CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001146595221 814299212 /nfs/dbraw/zinc/29/92/12/814299212.db2.gz XQZULDLBSBNQSG-GJZGRUSLSA-N 2 1 283.460 2.166 20 30 CEEDMP C=CCCC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001146603685 814300230 /nfs/dbraw/zinc/30/02/30/814300230.db2.gz YLMXQXNGWRVBIP-CABCVRRESA-N 2 1 283.460 2.166 20 30 CEEDMP CN1CCC[C@@H]2C[N@H+](C3CCC(CC#N)CC3)C[C@H]21 ZINC001173336639 815680178 /nfs/dbraw/zinc/68/01/78/815680178.db2.gz HGCNYAZMOSCIMB-GYTBAZASSA-N 2 1 261.413 2.485 20 30 CEEDMP CC[N@H+]1C[C@@H]2C[NH+](Cc3c[nH]c4ccc(C#N)cc34)C[C@@H]2C1 ZINC001140117502 816193531 /nfs/dbraw/zinc/19/35/31/816193531.db2.gz SVDDAUMLWPEQEG-IYBDPMFKSA-N 2 1 294.402 2.423 20 30 CEEDMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3c[nH]c4ccc(C#N)cc34)C[C@@H]2C1 ZINC001140117502 816193536 /nfs/dbraw/zinc/19/35/36/816193536.db2.gz SVDDAUMLWPEQEG-IYBDPMFKSA-N 2 1 294.402 2.423 20 30 CEEDMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3c[nH]c4ccc(C#N)cc34)C[C@@H]2C1 ZINC001140117502 816193541 /nfs/dbraw/zinc/19/35/41/816193541.db2.gz SVDDAUMLWPEQEG-IYBDPMFKSA-N 2 1 294.402 2.423 20 30 CEEDMP CC[NH+]1C[C@@H]2C[N@H+](Cc3c[nH]c4ccc(C#N)cc34)C[C@@H]2C1 ZINC001140117502 816193545 /nfs/dbraw/zinc/19/35/45/816193545.db2.gz SVDDAUMLWPEQEG-IYBDPMFKSA-N 2 1 294.402 2.423 20 30 CEEDMP C=CCC[NH2+]CCCCCCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001178833025 816799762 /nfs/dbraw/zinc/79/97/62/816799762.db2.gz NEEIEPOXPCPIRB-INIZCTEOSA-N 2 1 295.471 2.313 20 30 CEEDMP C[N@@H+](CCCO)C1CC[NH+](CC(C)(C)CCC#N)CC1 ZINC000093413066 344223306 /nfs/dbraw/zinc/22/33/06/344223306.db2.gz ZSFJTWVCKXVTFJ-UHFFFAOYSA-N 2 1 281.444 2.095 20 30 CEEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000602512991 347062433 /nfs/dbraw/zinc/06/24/33/347062433.db2.gz YUEDWBGMWVJYFN-CABCVRRESA-N 2 1 291.439 2.159 20 30 CEEDMP CC(C)OCC[NH+]1CCC([NH2+]C[C@@H](C)CCC#N)CC1 ZINC000602573774 347084081 /nfs/dbraw/zinc/08/40/81/347084081.db2.gz UILQWCHGFQUOCP-HNNXBMFYSA-N 2 1 281.444 2.405 20 30 CEEDMP N#CCc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000399137770 344857122 /nfs/dbraw/zinc/85/71/22/344857122.db2.gz SDOULUFPOVLHCP-IAGOWNOFSA-N 2 1 269.392 2.469 20 30 CEEDMP C=CC[C@@H](C)[C@H](C)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000442861193 344901578 /nfs/dbraw/zinc/90/15/78/344901578.db2.gz DBBVLZNZJTXRRO-CABCVRRESA-N 2 1 267.461 2.203 20 30 CEEDMP N#Cc1ccc(N2CCC([NH2+]C[C@@H]3CCCC[NH2+]3)CC2)cc1 ZINC000591577751 345265982 /nfs/dbraw/zinc/26/59/82/345265982.db2.gz DRDCZDHMARQCOK-KRWDZBQOSA-N 2 1 298.434 2.259 20 30 CEEDMP N#CC[C@@H]1CC[C@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000594506671 345639557 /nfs/dbraw/zinc/63/95/57/345639557.db2.gz WHBNDRQWALRLNJ-BHYGNILZSA-N 2 1 291.439 2.302 20 30 CEEDMP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CCOc1cccc(C#N)c1)C2 ZINC000595508883 345799257 /nfs/dbraw/zinc/79/92/57/345799257.db2.gz ZIDBCYISRAHZJZ-GOSISDBHSA-N 2 1 299.418 2.355 20 30 CEEDMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCOc1cccc(C#N)c1)C2 ZINC000595508883 345799259 /nfs/dbraw/zinc/79/92/59/345799259.db2.gz ZIDBCYISRAHZJZ-GOSISDBHSA-N 2 1 299.418 2.355 20 30 CEEDMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCOc1cccc(C#N)c1)C2 ZINC000595508883 345799262 /nfs/dbraw/zinc/79/92/62/345799262.db2.gz ZIDBCYISRAHZJZ-GOSISDBHSA-N 2 1 299.418 2.355 20 30 CEEDMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCOc1cccc(C#N)c1)C2 ZINC000595508883 345799266 /nfs/dbraw/zinc/79/92/66/345799266.db2.gz ZIDBCYISRAHZJZ-GOSISDBHSA-N 2 1 299.418 2.355 20 30 CEEDMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@@H](CC#N)C2)CC1 ZINC000595619378 345830099 /nfs/dbraw/zinc/83/00/99/345830099.db2.gz ACFDDRWHIXYSNK-KRWDZBQOSA-N 2 1 292.471 2.028 20 30 CEEDMP N#Cc1ccc(CC[N@@H+](C2CC2)C2CC[NH2+]CC2)cc1 ZINC000595894705 345908452 /nfs/dbraw/zinc/90/84/52/345908452.db2.gz VYMJMYMWNKEEFK-UHFFFAOYSA-N 2 1 269.392 2.317 20 30 CEEDMP C[NH+](C)CCC[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)CCO1 ZINC000595905048 345911008 /nfs/dbraw/zinc/91/10/08/345911008.db2.gz PCSQCQKONWFBTM-QGZVFWFLSA-N 2 1 287.407 2.101 20 30 CEEDMP C[NH+](C)CCC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)CCO1 ZINC000595905048 345911011 /nfs/dbraw/zinc/91/10/11/345911011.db2.gz PCSQCQKONWFBTM-QGZVFWFLSA-N 2 1 287.407 2.101 20 30 CEEDMP C[N@H+]1CCC[C@@H]2C[NH+](CCOc3ccc(C#N)cc3)CC[C@@H]21 ZINC000129107159 365825569 /nfs/dbraw/zinc/82/55/69/365825569.db2.gz MGINDZPGMXYCSG-AEFFLSMTSA-N 2 1 299.418 2.353 20 30 CEEDMP C[NH+]1CCC[C@@H]2C[N@H+](CCOc3ccc(C#N)cc3)CC[C@@H]21 ZINC000129107159 365825571 /nfs/dbraw/zinc/82/55/71/365825571.db2.gz MGINDZPGMXYCSG-AEFFLSMTSA-N 2 1 299.418 2.353 20 30 CEEDMP C[NH+]1CCC[C@@H]2C[N@@H+](CCOc3ccc(C#N)cc3)CC[C@@H]21 ZINC000129107159 365825579 /nfs/dbraw/zinc/82/55/79/365825579.db2.gz MGINDZPGMXYCSG-AEFFLSMTSA-N 2 1 299.418 2.353 20 30 CEEDMP Cc1ccc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1C#N ZINC000600709727 346674912 /nfs/dbraw/zinc/67/49/12/346674912.db2.gz PYURMERDNQMBDC-MRXNPFEDSA-N 2 1 255.365 2.052 20 30 CEEDMP Cc1ccc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1C#N ZINC000600709727 346674915 /nfs/dbraw/zinc/67/49/15/346674915.db2.gz PYURMERDNQMBDC-MRXNPFEDSA-N 2 1 255.365 2.052 20 30 CEEDMP C[NH+]1CCC2(CC[N@@H+](CCOc3cccc(C#N)c3)C2)CC1 ZINC000602877833 347235187 /nfs/dbraw/zinc/23/51/87/347235187.db2.gz SFCDKJPNNHFASJ-UHFFFAOYSA-N 2 1 299.418 2.355 20 30 CEEDMP CC[N@H+]1CC[C@H](N(C)Cc2ccnc(C#N)c2)C[C@H]1C ZINC000610994667 347730218 /nfs/dbraw/zinc/73/02/18/347730218.db2.gz MDUWZSGJFLTJET-CJNGLKHVSA-N 2 1 272.396 2.258 20 30 CEEDMP COc1ccc(C[NH2+]C[C@H](C)C[NH+]2CCCC2)cc1C#N ZINC000087824248 363870754 /nfs/dbraw/zinc/87/07/54/363870754.db2.gz QLVYOWZRCQJKPM-AWEZNQCLSA-N 2 1 287.407 2.388 20 30 CEEDMP N#Cc1csc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000093492386 364191773 /nfs/dbraw/zinc/19/17/73/364191773.db2.gz IHPWUYXPGLXBJK-CHWSQXEVSA-N 2 1 261.394 2.336 20 30 CEEDMP N#Cc1csc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000093492386 364191777 /nfs/dbraw/zinc/19/17/77/364191777.db2.gz IHPWUYXPGLXBJK-CHWSQXEVSA-N 2 1 261.394 2.336 20 30 CEEDMP C[NH+]1CCC([NH2+][C@H]2CCc3ccc(C#N)cc32)CC1 ZINC000335184572 364591955 /nfs/dbraw/zinc/59/19/55/364591955.db2.gz FGSKQIYDAMGHRL-INIZCTEOSA-N 2 1 255.365 2.229 20 30 CEEDMP C#CCCOc1ccc(C[NH2+]CCC[NH+](C)C)cc1 ZINC000113312280 364887395 /nfs/dbraw/zinc/88/73/95/364887395.db2.gz XOQUFKOQYWQPPE-UHFFFAOYSA-N 2 1 260.381 2.130 20 30 CEEDMP CC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(C#N)c2)[C@H](C)C1 ZINC000173364002 367902422 /nfs/dbraw/zinc/90/24/22/367902422.db2.gz CDNWDNHRAKJPEI-CJNGLKHVSA-N 2 1 257.381 2.378 20 30 CEEDMP CC[N@H+]1CC[C@H]([NH2+]Cc2cccc(C#N)c2)[C@H](C)C1 ZINC000173364002 367902426 /nfs/dbraw/zinc/90/24/26/367902426.db2.gz CDNWDNHRAKJPEI-CJNGLKHVSA-N 2 1 257.381 2.378 20 30 CEEDMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cc(C#N)cs2)C1 ZINC000177689450 368278380 /nfs/dbraw/zinc/27/83/80/368278380.db2.gz MRLXZNZCSSNUQU-GFCCVEGCSA-N 2 1 263.410 2.441 20 30 CEEDMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cc(C#N)cs2)C1 ZINC000177689450 368278386 /nfs/dbraw/zinc/27/83/86/368278386.db2.gz MRLXZNZCSSNUQU-GFCCVEGCSA-N 2 1 263.410 2.441 20 30 CEEDMP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(C#N)cc1 ZINC000181561070 368470580 /nfs/dbraw/zinc/47/05/80/368470580.db2.gz MYHXTUXKJBVBBP-AWEZNQCLSA-N 2 1 287.407 2.056 20 30 CEEDMP C=CCCC(C)(C)C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000634725232 368840455 /nfs/dbraw/zinc/84/04/55/368840455.db2.gz LWLCPBTUURJGEH-CQSZACIVSA-N 2 1 254.418 2.024 20 30 CEEDMP C=CCCC(C)(C)C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000634725232 368840462 /nfs/dbraw/zinc/84/04/62/368840462.db2.gz LWLCPBTUURJGEH-CQSZACIVSA-N 2 1 254.418 2.024 20 30 CEEDMP C[C@H]1C[N@@H+](CCC(C)(C)C#N)CCN1C1CC[NH+](C)CC1 ZINC000347003604 368796926 /nfs/dbraw/zinc/79/69/26/368796926.db2.gz GWRNQQDQGDBKGQ-HNNXBMFYSA-N 2 1 292.471 2.027 20 30 CEEDMP C=CCOCCC[N@@H+](C)CCCn1cc[nH+]c1C ZINC000348053477 368876988 /nfs/dbraw/zinc/87/69/88/368876988.db2.gz VVMRTBDHZRFDJG-UHFFFAOYSA-N 2 1 251.374 2.106 20 30 CEEDMP C=CCOCCC[N@H+](C)CCCn1cc[nH+]c1C ZINC000348053477 368876993 /nfs/dbraw/zinc/87/69/93/368876993.db2.gz VVMRTBDHZRFDJG-UHFFFAOYSA-N 2 1 251.374 2.106 20 30 CEEDMP C=CCOCCC[NH+]1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000348053834 368877308 /nfs/dbraw/zinc/87/73/08/368877308.db2.gz WSXLPFBVJGCZBL-HNNXBMFYSA-N 2 1 254.418 2.243 20 30 CEEDMP C=CCOCCC[N@H+]1CC[C@@H](C[NH+](C)CCC)C1 ZINC000348053834 368877311 /nfs/dbraw/zinc/87/73/11/368877311.db2.gz WSXLPFBVJGCZBL-HNNXBMFYSA-N 2 1 254.418 2.243 20 30 CEEDMP C=CCOCCC[N@@H+]1CC[C@@H](C[NH+](C)CCC)C1 ZINC000348053834 368877315 /nfs/dbraw/zinc/87/73/15/368877315.db2.gz WSXLPFBVJGCZBL-HNNXBMFYSA-N 2 1 254.418 2.243 20 30 CEEDMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCc1cccc(C#N)c1 ZINC000343592281 216837859 /nfs/dbraw/zinc/83/78/59/216837859.db2.gz HYRSDSXKDVUZJK-CKEIUWERSA-N 2 1 271.408 2.419 20 30 CEEDMP CCc1nccn1[C@@H]1CCC[N@@H+](Cc2cc(C#N)n(C)c2)C1 ZINC000191343676 369702946 /nfs/dbraw/zinc/70/29/46/369702946.db2.gz LNVXQJVYVFPWLC-OAHLLOKOSA-N 2 1 297.406 2.493 20 30 CEEDMP CC[NH+](CC)CCC[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC000233456172 370519364 /nfs/dbraw/zinc/51/93/64/370519364.db2.gz WVKBACXRMLSUMC-UHFFFAOYSA-N 2 1 275.396 2.388 20 30 CEEDMP COc1cc(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1C#N ZINC000235010826 370553629 /nfs/dbraw/zinc/55/36/29/370553629.db2.gz INHKMSVTZSJYFS-JKSUJKDBSA-N 2 1 285.391 2.283 20 30 CEEDMP COc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1C#N ZINC000235010826 370553631 /nfs/dbraw/zinc/55/36/31/370553631.db2.gz INHKMSVTZSJYFS-JKSUJKDBSA-N 2 1 285.391 2.283 20 30 CEEDMP COc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1C#N ZINC000235010826 370553635 /nfs/dbraw/zinc/55/36/35/370553635.db2.gz INHKMSVTZSJYFS-JKSUJKDBSA-N 2 1 285.391 2.283 20 30 CEEDMP C=CCOc1ccccc1C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261713618 371708542 /nfs/dbraw/zinc/70/85/42/371708542.db2.gz MUASAVMIHCAMRI-MRXNPFEDSA-N 2 1 260.381 2.422 20 30 CEEDMP CCCCNC(=[NH2+])NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000264141405 371977039 /nfs/dbraw/zinc/97/70/39/371977039.db2.gz WPDCUPJLYZBVKU-CYBMUJFWSA-N 2 1 278.400 2.121 20 30 CEEDMP C[NH+](C)[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000277283220 374462798 /nfs/dbraw/zinc/46/27/98/374462798.db2.gz SLLLQEIWBKELJP-IAGOWNOFSA-N 2 1 287.407 2.008 20 30 CEEDMP C[NH+](C)[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000277283220 374462800 /nfs/dbraw/zinc/46/28/00/374462800.db2.gz SLLLQEIWBKELJP-IAGOWNOFSA-N 2 1 287.407 2.008 20 30 CEEDMP C[C@@H]([NH2+][C@@H]1CCc2[nH+]ccn2C1)c1ccc(C#N)s1 ZINC000375843464 374684225 /nfs/dbraw/zinc/68/42/25/374684225.db2.gz SHOOKWNEPPTWJK-GHMZBOCLSA-N 2 1 272.377 2.482 20 30 CEEDMP C#CCCOc1ccc(C[NH2+]CCn2cc[nH+]c2C)cc1 ZINC000264930235 190145522 /nfs/dbraw/zinc/14/55/22/190145522.db2.gz AKZCAQAITCYWTN-UHFFFAOYSA-N 2 1 283.375 2.383 20 30 CEEDMP C=CCC[N@H+](Cc1nccn1CC)[C@H]1CC12CC[NH2+]CC2 ZINC000435681091 377808703 /nfs/dbraw/zinc/80/87/03/377808703.db2.gz HGRMWQBJPLQICH-HNNXBMFYSA-N 2 1 288.439 2.423 20 30 CEEDMP C=CCC[N@@H+](Cc1scnc1C)C[C@@H]1CC[NH2+]C1 ZINC000435722407 377808835 /nfs/dbraw/zinc/80/88/35/377808835.db2.gz MXLSFLNVCRYMQD-CYBMUJFWSA-N 2 1 265.426 2.439 20 30 CEEDMP C=CCC[N@H+](Cc1scnc1C)C[C@@H]1CC[NH2+]C1 ZINC000435722407 377808842 /nfs/dbraw/zinc/80/88/42/377808842.db2.gz MXLSFLNVCRYMQD-CYBMUJFWSA-N 2 1 265.426 2.439 20 30 CEEDMP N#C[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)C1 ZINC000442655515 377976808 /nfs/dbraw/zinc/97/68/08/377976808.db2.gz SUVOZKMCUNCXRV-CRAIPNDOSA-N 2 1 299.418 2.301 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1sc(C)nc1C ZINC000294965885 378033011 /nfs/dbraw/zinc/03/30/11/378033011.db2.gz JPLCSGPFZJFJMI-NSHDSACASA-N 2 1 265.426 2.366 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1sc(C)nc1C ZINC000294965885 378033015 /nfs/dbraw/zinc/03/30/15/378033015.db2.gz JPLCSGPFZJFJMI-NSHDSACASA-N 2 1 265.426 2.366 20 30 CEEDMP CCCNC(=[NH2+])NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000304800888 379596657 /nfs/dbraw/zinc/59/66/57/379596657.db2.gz OVGVRXUXJKSCKB-OCCSQVGLSA-N 2 1 294.468 2.445 20 30 CEEDMP C=CCC[C@H](O)C[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000305065213 379617375 /nfs/dbraw/zinc/61/73/75/379617375.db2.gz HOZQVSATIRBTMW-CABCVRRESA-N 2 1 254.418 2.120 20 30 CEEDMP C=CCC[C@H](O)C[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000305065213 379617383 /nfs/dbraw/zinc/61/73/83/379617383.db2.gz HOZQVSATIRBTMW-CABCVRRESA-N 2 1 254.418 2.120 20 30 CEEDMP C=CCC[C@H](O)C[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000305065213 379617394 /nfs/dbraw/zinc/61/73/94/379617394.db2.gz HOZQVSATIRBTMW-CABCVRRESA-N 2 1 254.418 2.120 20 30 CEEDMP Cc1ccc([C@H](CNC(=[NH2+])N(C)C2CC2)[NH+]2CCCC2)o1 ZINC000262194107 394614392 /nfs/dbraw/zinc/61/43/92/394614392.db2.gz GKEANOFPAOSJDR-AWEZNQCLSA-N 2 1 290.411 2.134 20 30 CEEDMP CC[N@H+](C)CCNC(=[NH2+])Nc1cccc2c1CCCC2 ZINC000267318591 394676179 /nfs/dbraw/zinc/67/61/79/394676179.db2.gz PBLBXHKJPBDNFR-UHFFFAOYSA-N 2 1 274.412 2.244 20 30 CEEDMP CC[N@@H+](C)CCNC(=[NH2+])Nc1cccc2c1CCCC2 ZINC000267318591 394676184 /nfs/dbraw/zinc/67/61/84/394676184.db2.gz PBLBXHKJPBDNFR-UHFFFAOYSA-N 2 1 274.412 2.244 20 30 CEEDMP COc1cc(C[NH2+][C@@H]2CC[NH2+]CC2(C)C)ccc1C#N ZINC000414966174 394829155 /nfs/dbraw/zinc/82/91/55/394829155.db2.gz GGPTZWVIDFPVTH-OAHLLOKOSA-N 2 1 273.380 2.045 20 30 CEEDMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+]([C@@H]2CC[C@@H](C#N)C2)C1 ZINC000339011647 394936625 /nfs/dbraw/zinc/93/66/25/394936625.db2.gz VUWZWBXIDIWZSI-OWCLPIDISA-N 2 1 261.413 2.342 20 30 CEEDMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+]([C@@H]2CC[C@@H](C#N)C2)C1 ZINC000339011647 394936628 /nfs/dbraw/zinc/93/66/28/394936628.db2.gz VUWZWBXIDIWZSI-OWCLPIDISA-N 2 1 261.413 2.342 20 30 CEEDMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+]([C@@H]2CC[C@@H](C#N)C2)C1 ZINC000339011647 394936630 /nfs/dbraw/zinc/93/66/30/394936630.db2.gz VUWZWBXIDIWZSI-OWCLPIDISA-N 2 1 261.413 2.342 20 30 CEEDMP C[C@H]([NH2+]CCOCCC#N)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000339086196 394941884 /nfs/dbraw/zinc/94/18/84/394941884.db2.gz ZPOKLZJOTUIPIC-GJZGRUSLSA-N 2 1 279.428 2.159 20 30 CEEDMP C=CCOCC[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000339083187 394942174 /nfs/dbraw/zinc/94/21/74/394942174.db2.gz DHMXXLBWRGTQJR-CABCVRRESA-N 2 1 266.429 2.432 20 30 CEEDMP C[N@H+]1CC[C@@]2(CC[NH+](CCCC3(C#N)CCOCC3)C2)C1 ZINC000366498952 394946602 /nfs/dbraw/zinc/94/66/02/394946602.db2.gz VHKRATWYXUMZAV-QGZVFWFLSA-N 2 1 291.439 2.115 20 30 CEEDMP C[NH+]1CC[C@@]2(CC[N@H+](CCCC3(C#N)CCOCC3)C2)C1 ZINC000366498952 394946606 /nfs/dbraw/zinc/94/66/06/394946606.db2.gz VHKRATWYXUMZAV-QGZVFWFLSA-N 2 1 291.439 2.115 20 30 CEEDMP C[NH+]1CC[C@@]2(CC[N@@H+](CCCC3(C#N)CCOCC3)C2)C1 ZINC000366498952 394946608 /nfs/dbraw/zinc/94/66/08/394946608.db2.gz VHKRATWYXUMZAV-QGZVFWFLSA-N 2 1 291.439 2.115 20 30 CEEDMP C[N@H+]1CCC[C@@]2(CC[NH+](CCCSCC#N)C2)C1 ZINC000339441657 394961337 /nfs/dbraw/zinc/96/13/37/394961337.db2.gz YSHMUKHSNIGDSJ-CQSZACIVSA-N 2 1 267.442 2.051 20 30 CEEDMP C[NH+]1CCC[C@@]2(CC[N@H+](CCCSCC#N)C2)C1 ZINC000339441657 394961340 /nfs/dbraw/zinc/96/13/40/394961340.db2.gz YSHMUKHSNIGDSJ-CQSZACIVSA-N 2 1 267.442 2.051 20 30 CEEDMP C[NH+]1CCC[C@@]2(CC[N@@H+](CCCSCC#N)C2)C1 ZINC000339441657 394961344 /nfs/dbraw/zinc/96/13/44/394961344.db2.gz YSHMUKHSNIGDSJ-CQSZACIVSA-N 2 1 267.442 2.051 20 30 CEEDMP C#Cc1ccc(C[NH2+]C[C@@H]2CC[N@H+](CCC)C2)cc1 ZINC000289182888 395071501 /nfs/dbraw/zinc/07/15/01/395071501.db2.gz GFWKQZYIMWJHMW-KRWDZBQOSA-N 2 1 256.393 2.489 20 30 CEEDMP C=C[C@H](CO)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000289685789 395083948 /nfs/dbraw/zinc/08/39/48/395083948.db2.gz HYEUSVYXKSKNKG-DJIMGWMZSA-N 2 1 274.408 2.176 20 30 CEEDMP C=C[C@H](CO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000289685789 395083950 /nfs/dbraw/zinc/08/39/50/395083950.db2.gz HYEUSVYXKSKNKG-DJIMGWMZSA-N 2 1 274.408 2.176 20 30 CEEDMP CC(C)C[N@H+]1CCC[C@H](CNC(=[NH2+])Nc2ccccn2)C1 ZINC000178726520 395173844 /nfs/dbraw/zinc/17/38/44/395173844.db2.gz OUXOPHVUVJCIBB-CQSZACIVSA-N 2 1 289.427 2.176 20 30 CEEDMP N#CCCN1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000370678061 260002294 /nfs/dbraw/zinc/00/22/94/260002294.db2.gz SQPKVSIROKBUMQ-SJORKVTESA-N 2 1 269.392 2.354 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCCOCC2)CC1 ZINC000356685630 266159781 /nfs/dbraw/zinc/15/97/81/266159781.db2.gz WVYALBHFGHHXLO-AWEZNQCLSA-N 2 1 252.402 2.186 20 30 CEEDMP CNC(NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1)=[NH+]C ZINC000261749424 328141135 /nfs/dbraw/zinc/14/11/35/328141135.db2.gz JNYFPXZNBSASLB-ZDUSSCGKSA-N 2 1 294.468 2.316 20 30 CEEDMP C=CC[C@H](CO)C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000341268798 328405909 /nfs/dbraw/zinc/40/59/09/328405909.db2.gz KTFVCOAEUQSKJI-KRWDZBQOSA-N 2 1 288.435 2.425 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)[C@@H]2CCOC2)CC1 ZINC000152960018 327305421 /nfs/dbraw/zinc/30/54/21/327305421.db2.gz YJTILOJIZLBWDG-UONOGXRCSA-N 2 1 252.402 2.042 20 30 CEEDMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCCCC#N)[C@H](C)C1 ZINC000178643731 329201606 /nfs/dbraw/zinc/20/16/06/329201606.db2.gz HEXBIJOVQJUJQP-HZPDHXFCSA-N 2 1 281.444 2.407 20 30 CEEDMP C=C(C)COCC[NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000422994018 330163258 /nfs/dbraw/zinc/16/32/58/330163258.db2.gz UNZKANZEPJGVBZ-HOCLYGCPSA-N 2 1 262.397 2.127 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)CCCC[NH3+])CC1 ZINC000422974122 330164724 /nfs/dbraw/zinc/16/47/24/330164724.db2.gz DFFOZHVAFNATFZ-AWEZNQCLSA-N 3 1 253.434 2.134 20 30 CEEDMP C#CC[N@@H+](C)CCCN[C@H]1CC[NH+](C)[C@H](c2ccccc2)C1 ZINC000491164659 332159135 /nfs/dbraw/zinc/15/91/35/332159135.db2.gz DHIFYVHZHDINLV-OALUTQOASA-N 2 1 299.462 2.367 20 30 CEEDMP C#CC[NH+](C)CCCN[C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000491164659 332159136 /nfs/dbraw/zinc/15/91/36/332159136.db2.gz DHIFYVHZHDINLV-OALUTQOASA-N 2 1 299.462 2.367 20 30 CEEDMP C#CC[NH+](C)CCCN[C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000491164659 332159137 /nfs/dbraw/zinc/15/91/37/332159137.db2.gz DHIFYVHZHDINLV-OALUTQOASA-N 2 1 299.462 2.367 20 30 CEEDMP C=CCOc1ccc(C[N@@H+]2CCC[C@H](C[NH3+])C2)cc1 ZINC000347099952 526868116 /nfs/dbraw/zinc/86/81/16/526868116.db2.gz JOUAGEZASUTMQI-OAHLLOKOSA-N 2 1 260.381 2.422 20 30 CEEDMP C#CCOc1ccc(C[NH2+]C[C@H]2CC[N@H+](CC)C2)cc1 ZINC000113323911 527105231 /nfs/dbraw/zinc/10/52/31/527105231.db2.gz AKFFJVLHJGVEQH-MRXNPFEDSA-N 2 1 272.392 2.130 20 30 CEEDMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(OC)c(C#N)c2)[C@@H](C)C1 ZINC000742207431 574841736 /nfs/dbraw/zinc/84/17/36/574841736.db2.gz XYDYIBXLYPQMJL-XJKSGUPXSA-N 2 1 287.407 2.387 20 30 CEEDMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(OC)c(C#N)c2)[C@@H](C)C1 ZINC000742207431 574841738 /nfs/dbraw/zinc/84/17/38/574841738.db2.gz XYDYIBXLYPQMJL-XJKSGUPXSA-N 2 1 287.407 2.387 20 30 CEEDMP C[NH+]1CCN(N=C2CCCC[C@@H]2[NH+]2CCCCCC2)CC1 ZINC000749808027 575234679 /nfs/dbraw/zinc/23/46/79/575234679.db2.gz SIXUPQVBPLVBIP-KRWDZBQOSA-N 2 1 292.471 2.408 20 30 CEEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C[C@@H]1C ZINC000947502994 613755591 /nfs/dbraw/zinc/75/55/91/613755591.db2.gz XTXFUGZLGIDGTR-DZGCQCFKSA-N 2 1 298.390 2.103 20 30 CEEDMP CC[NH+]=C(NC[C@H]1CC[N@@H+](C)C1)N1CCC(CC)(CC)C1 ZINC000262012677 624221653 /nfs/dbraw/zinc/22/16/53/624221653.db2.gz XACVZLORWGABBF-OAHLLOKOSA-N 2 1 294.487 2.416 20 30 CEEDMP CC(C)NC(=[NH2+])NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000162455171 628301404 /nfs/dbraw/zinc/30/14/04/628301404.db2.gz SQXWMFYYAVGFLO-QGZVFWFLSA-N 2 1 288.439 2.354 20 30 CEEDMP N#Cc1ccc(F)c(C[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)c1 ZINC000925812505 628865112 /nfs/dbraw/zinc/86/51/12/628865112.db2.gz ICUOBRFKFMNQII-ZIAGYGMSSA-N 2 1 259.328 2.057 20 30 CEEDMP Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)cc1C#N ZINC000925841928 628944557 /nfs/dbraw/zinc/94/45/57/628944557.db2.gz VBHBILKKUGFUHH-KURKYZTESA-N 2 1 299.418 2.113 20 30 CEEDMP C=C(C)C[N@@H+](Cc1ccc(CO)o1)CC1CC[NH+](C)CC1 ZINC000894415034 629446948 /nfs/dbraw/zinc/44/69/48/629446948.db2.gz VEJOTZWREZFFIF-UHFFFAOYSA-N 2 1 292.423 2.492 20 30 CEEDMP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2CC#Cc2ccccc2)C1 ZINC000894497144 629492213 /nfs/dbraw/zinc/49/22/13/629492213.db2.gz USWLTUVYKGUNAS-ZWKOTPCHSA-N 2 1 268.404 2.454 20 30 CEEDMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2CC#Cc2ccccc2)C1 ZINC000894497144 629492215 /nfs/dbraw/zinc/49/22/15/629492215.db2.gz USWLTUVYKGUNAS-ZWKOTPCHSA-N 2 1 268.404 2.454 20 30 CEEDMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2CC#Cc2ccccc2)C1 ZINC000894497144 629492217 /nfs/dbraw/zinc/49/22/17/629492217.db2.gz USWLTUVYKGUNAS-ZWKOTPCHSA-N 2 1 268.404 2.454 20 30 CEEDMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2CC#Cc2ccccc2)C1 ZINC000894497144 629492220 /nfs/dbraw/zinc/49/22/20/629492220.db2.gz USWLTUVYKGUNAS-ZWKOTPCHSA-N 2 1 268.404 2.454 20 30 CEEDMP C=CC[NH+]1CCC([NH2+]CC2CCC3(CC2)OCCO3)CC1 ZINC000795921571 629711308 /nfs/dbraw/zinc/71/13/08/629711308.db2.gz DZSGMYJXBYRARG-UHFFFAOYSA-N 2 1 294.439 2.160 20 30 CEEDMP C#CC[NH+]1CCC(Nc2[nH+]ccc3c(N)cccc32)CC1 ZINC000895812408 630358843 /nfs/dbraw/zinc/35/88/43/630358843.db2.gz QOCPMKOEINRCTL-UHFFFAOYSA-N 2 1 280.375 2.327 20 30 CEEDMP C[C@H]1CCCC[N@H+]1CCCCNC(=[NH2+])NC(C)(C)C ZINC000303906556 631093359 /nfs/dbraw/zinc/09/33/59/631093359.db2.gz WFAFSBSPELZHDM-ZDUSSCGKSA-N 2 1 268.449 2.344 20 30 CEEDMP CCCCCCNC(=[NH2+])NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000305042261 631106535 /nfs/dbraw/zinc/10/65/35/631106535.db2.gz WEQLPRGZHQFUHS-HNNXBMFYSA-N 2 1 282.476 2.449 20 30 CEEDMP C#CCOc1ccc(CN2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)cc1 ZINC000897621726 631825472 /nfs/dbraw/zinc/82/54/72/631825472.db2.gz PTJRPUNPRPPLCR-AEFFLSMTSA-N 2 1 284.403 2.082 20 30 CEEDMP C#CCOc1ccc(C[N@H+]2C[C@H]3C[NH+](C)C[C@@]3(C)C2)cc1 ZINC000897621726 631825502 /nfs/dbraw/zinc/82/55/02/631825502.db2.gz PTJRPUNPRPPLCR-AEFFLSMTSA-N 2 1 284.403 2.082 20 30 CEEDMP C#CCOc1ccc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@@]3(C)C2)cc1 ZINC000897621726 631825509 /nfs/dbraw/zinc/82/55/09/631825509.db2.gz PTJRPUNPRPPLCR-AEFFLSMTSA-N 2 1 284.403 2.082 20 30 CEEDMP Cc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1C#N ZINC000926960154 632386236 /nfs/dbraw/zinc/38/62/36/632386236.db2.gz FEVMGQUOGZMXBX-SFHVURJKSA-N 2 1 299.418 2.210 20 30 CEEDMP C#CCOc1ccc([C@@H](C)[NH2+][C@@H](C[NH3+])C2CC2)cc1 ZINC000817959757 633801557 /nfs/dbraw/zinc/80/15/57/633801557.db2.gz IGRFGBNTOSOXJA-WBMJQRKESA-N 2 1 258.365 2.087 20 30 CEEDMP C#CCOc1ccc([C@@H](C)[NH2+]C[C@H]([NH3+])C(C)C)cc1 ZINC000817960026 633802702 /nfs/dbraw/zinc/80/27/02/633802702.db2.gz WOVQRCSOCSSVEV-CJNGLKHVSA-N 2 1 260.381 2.333 20 30 CEEDMP C=CCCCCC[N@H+](C)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903734576 635250112 /nfs/dbraw/zinc/25/01/12/635250112.db2.gz SAKBRTMTGCEWHM-CVEARBPZSA-N 2 1 266.429 2.433 20 30 CEEDMP C=CC[C@H]1CC[N@@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903769246 635259721 /nfs/dbraw/zinc/25/97/21/635259721.db2.gz AOXZSWUWIJCYSR-LSDHHAIUSA-N 2 1 264.413 2.043 20 30 CEEDMP C=CCC[C@H](O)C[N@@H+]1CCCC[C@@H]1C1(C[NH3+])CCC1 ZINC000903810497 635284197 /nfs/dbraw/zinc/28/41/97/635284197.db2.gz CGJLWYICHZRHDD-LSDHHAIUSA-N 2 1 266.429 2.297 20 30 CEEDMP C=CCc1cc(C[N@H+]2CC[C@H](CC[NH3+])C2)cc(OC)c1O ZINC000904406339 635613431 /nfs/dbraw/zinc/61/34/31/635613431.db2.gz QHFCFOYVZDMRHJ-ZDUSSCGKSA-N 2 1 290.407 2.300 20 30 CEEDMP C#Cc1ccc(C[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)cc1 ZINC000827857027 636443298 /nfs/dbraw/zinc/44/32/98/636443298.db2.gz WOAIAEGZZCWKJY-SFHVURJKSA-N 2 1 286.419 2.211 20 30 CEEDMP C#Cc1ccc(C[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)cc1 ZINC000827857027 636443301 /nfs/dbraw/zinc/44/33/01/636443301.db2.gz WOAIAEGZZCWKJY-SFHVURJKSA-N 2 1 286.419 2.211 20 30 CEEDMP CN(C)C1CC([NH2+]Cc2ccc(N(C)CCC#N)cc2)C1 ZINC000848557540 642051792 /nfs/dbraw/zinc/05/17/92/642051792.db2.gz KKPAXUOVXNLHMH-UHFFFAOYSA-N 2 1 286.423 2.219 20 30 CEEDMP C=C(C)C[NH2+]C1CC(N(C)C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC000999876226 642517951 /nfs/dbraw/zinc/51/79/51/642517951.db2.gz INNVEINRXYHUHX-UYSNPLJNSA-N 2 1 293.455 2.016 20 30 CEEDMP C=CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001000375293 642596468 /nfs/dbraw/zinc/59/64/68/642596468.db2.gz CCLLGJZYJRNOKW-HOTGVXAUSA-N 2 1 293.455 2.016 20 30 CEEDMP C#CCSCC[NH2+][C@H]1CC[N@H+](CCCOCC)C[C@@H]1C ZINC000773009608 646695700 /nfs/dbraw/zinc/69/57/00/646695700.db2.gz CYWQZNXXGAQHMH-HOTGVXAUSA-N 2 1 298.496 2.079 20 30 CEEDMP C[N@H+](CCc1cccc(C#N)c1)CCC1CC[NH2+]CC1 ZINC000866698055 647872699 /nfs/dbraw/zinc/87/26/99/647872699.db2.gz LVUKTRHZCFCCKI-UHFFFAOYSA-N 2 1 271.408 2.422 20 30 CEEDMP C=CC[C@@H](C)[NH+]1CCC([NH+](CCOC)CCOC)CC1 ZINC000878611274 651141721 /nfs/dbraw/zinc/14/17/21/651141721.db2.gz PQLZNGOLXYNPQU-OAHLLOKOSA-N 2 1 284.444 2.010 20 30 CEEDMP Cc1cc(C#N)ccc1C[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000879583744 651327181 /nfs/dbraw/zinc/32/71/81/651327181.db2.gz ZQGODRSLDFXQDI-IAGOWNOFSA-N 2 1 269.392 2.393 20 30 CEEDMP Cc1cc(C#N)ccc1C[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879583744 651327182 /nfs/dbraw/zinc/32/71/82/651327182.db2.gz ZQGODRSLDFXQDI-IAGOWNOFSA-N 2 1 269.392 2.393 20 30 CEEDMP Cc1cc(C#N)ccc1C[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879583744 651327183 /nfs/dbraw/zinc/32/71/83/651327183.db2.gz ZQGODRSLDFXQDI-IAGOWNOFSA-N 2 1 269.392 2.393 20 30 CEEDMP Cc1cc(C#N)ccc1C[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879583744 651327184 /nfs/dbraw/zinc/32/71/84/651327184.db2.gz ZQGODRSLDFXQDI-IAGOWNOFSA-N 2 1 269.392 2.393 20 30 CEEDMP C[C@H](C#N)OCC[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000880516899 651454139 /nfs/dbraw/zinc/45/41/39/651454139.db2.gz CWFCLSYCWBKIMQ-OAHLLOKOSA-N 2 1 267.417 2.113 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000883131215 652372925 /nfs/dbraw/zinc/37/29/25/652372925.db2.gz OZINHHSLXWWHSV-SOFGYWHQSA-N 2 1 285.435 2.311 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000883131215 652372926 /nfs/dbraw/zinc/37/29/26/652372926.db2.gz OZINHHSLXWWHSV-SOFGYWHQSA-N 2 1 285.435 2.311 20 30 CEEDMP C=CCC[C@@H](Cc1ccccc1)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000883187487 652393625 /nfs/dbraw/zinc/39/36/25/652393625.db2.gz OVUOMVAXFWBQOG-DLBZAZTESA-N 2 1 276.424 2.076 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](COC)[C@@H]2CCCOC2)CC1 ZINC000883187360 652393755 /nfs/dbraw/zinc/39/37/55/652393755.db2.gz MHVUCRGPRHXNSX-NVXWUHKLSA-N 2 1 296.455 2.058 20 30 CEEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)[C@H]1C ZINC001088666381 806585367 /nfs/dbraw/zinc/58/53/67/806585367.db2.gz FVBQSYQLBOWRQL-PMPSAXMXSA-N 2 1 293.455 2.016 20 30 CEEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)[C@H]1C ZINC001088666381 806585373 /nfs/dbraw/zinc/58/53/73/806585373.db2.gz FVBQSYQLBOWRQL-PMPSAXMXSA-N 2 1 293.455 2.016 20 30 CEEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)[C@H]1C ZINC001088666381 806585380 /nfs/dbraw/zinc/58/53/80/806585380.db2.gz FVBQSYQLBOWRQL-PMPSAXMXSA-N 2 1 293.455 2.016 20 30 CEEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)[C@H]1C ZINC001088666381 806585385 /nfs/dbraw/zinc/58/53/85/806585385.db2.gz FVBQSYQLBOWRQL-PMPSAXMXSA-N 2 1 293.455 2.016 20 30 CEEDMP C=C(C)CC[NH2+]CCCNC(=O)CCCn1cc[nH+]c1C ZINC001168363672 806757396 /nfs/dbraw/zinc/75/73/96/806757396.db2.gz PFAZZBXNYOJYJS-UHFFFAOYSA-N 2 1 292.427 2.034 20 30 CEEDMP C=CC[N@@H+]1CC[C@](C)(NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001046433633 811755219 /nfs/dbraw/zinc/75/52/19/811755219.db2.gz XGVIWSOXSKWUGK-KRWDZBQOSA-N 2 1 298.390 2.023 20 30 CEEDMP C=C(C)C[NH2+][C@@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001266939108 803010551 /nfs/dbraw/zinc/01/05/51/803010551.db2.gz ABECRUIVVAIEBL-KBPBESRZSA-N 2 1 292.427 2.067 20 30 CEEDMP C=CC[N@@H+](CCC)CCNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001267318060 803362042 /nfs/dbraw/zinc/36/20/42/803362042.db2.gz RCOZAZGWSHOQBU-INIZCTEOSA-N 2 1 295.471 2.264 20 30 CEEDMP C=CC[NH+](CCC)CCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001267318060 803362047 /nfs/dbraw/zinc/36/20/47/803362047.db2.gz RCOZAZGWSHOQBU-INIZCTEOSA-N 2 1 295.471 2.264 20 30 CEEDMP C=CC[NH+](CCC)CCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001267318060 803362055 /nfs/dbraw/zinc/36/20/55/803362055.db2.gz RCOZAZGWSHOQBU-INIZCTEOSA-N 2 1 295.471 2.264 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)Cc1ccc(C)cc1 ZINC001117712169 814939326 /nfs/dbraw/zinc/93/93/26/814939326.db2.gz CKHUGMNFNCNQNA-INIZCTEOSA-N 2 1 258.409 2.471 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)Cc1ccc(C)cc1 ZINC001117712169 814939330 /nfs/dbraw/zinc/93/93/30/814939330.db2.gz CKHUGMNFNCNQNA-INIZCTEOSA-N 2 1 258.409 2.471 20 30 CEEDMP C=C(C)C[N@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C)C(C)C ZINC001267504538 803515572 /nfs/dbraw/zinc/51/55/72/803515572.db2.gz UMNIGZZXZUBPDK-MRXNPFEDSA-N 2 1 295.471 2.264 20 30 CEEDMP C=C(C)C[NH+](CCCNC(=O)[C@H]1CCCC[N@@H+]1C)C(C)C ZINC001267504538 803515575 /nfs/dbraw/zinc/51/55/75/803515575.db2.gz UMNIGZZXZUBPDK-MRXNPFEDSA-N 2 1 295.471 2.264 20 30 CEEDMP C=C(C)C[NH+](CCCNC(=O)[C@H]1CCCC[N@H+]1C)C(C)C ZINC001267504538 803515580 /nfs/dbraw/zinc/51/55/80/803515580.db2.gz UMNIGZZXZUBPDK-MRXNPFEDSA-N 2 1 295.471 2.264 20 30 CEEDMP C=CCCC[NH+]1CC[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001269034154 805030067 /nfs/dbraw/zinc/03/00/67/805030067.db2.gz RGESWPMUVPMPBR-HOTGVXAUSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCCC[N@H+]1CC[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001269034154 805030077 /nfs/dbraw/zinc/03/00/77/805030077.db2.gz RGESWPMUVPMPBR-HOTGVXAUSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCCC[N@@H+]1CC[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001269034154 805030088 /nfs/dbraw/zinc/03/00/88/805030088.db2.gz RGESWPMUVPMPBR-HOTGVXAUSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)C[NH2+]C[C@H](NC(=O)C[N@H+](C)C(C)C)C1CCCC1 ZINC001270458514 805442741 /nfs/dbraw/zinc/44/27/41/805442741.db2.gz QHEBIAVLHPJLMM-INIZCTEOSA-N 2 1 295.471 2.167 20 30 CEEDMP C=CCC[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001272785401 808664000 /nfs/dbraw/zinc/66/40/00/808664000.db2.gz AQVUEHQFDVZTTQ-WKILWMFISA-N 2 1 295.471 2.167 20 30 CEEDMP C=C(C)CC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001034129884 809526101 /nfs/dbraw/zinc/52/61/01/809526101.db2.gz FFZDCNHPZFRJAL-HOTGVXAUSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001034129884 809526106 /nfs/dbraw/zinc/52/61/06/809526106.db2.gz FFZDCNHPZFRJAL-HOTGVXAUSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001034129884 809526110 /nfs/dbraw/zinc/52/61/10/809526110.db2.gz FFZDCNHPZFRJAL-HOTGVXAUSA-N 2 1 293.455 2.018 20 30 CEEDMP Cc1cc(C#N)ccc1CN1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC000702397344 809546873 /nfs/dbraw/zinc/54/68/73/809546873.db2.gz ZXZNGVVLBNXSNU-SJORKVTESA-N 2 1 269.392 2.250 20 30 CEEDMP Cc1cc(C#N)ccc1C[NH+]1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC000702397344 809546880 /nfs/dbraw/zinc/54/68/80/809546880.db2.gz ZXZNGVVLBNXSNU-SJORKVTESA-N 2 1 269.392 2.250 20 30 CEEDMP Cc1cc(C#N)ccc1C[NH+]1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC000702397344 809546884 /nfs/dbraw/zinc/54/68/84/809546884.db2.gz ZXZNGVVLBNXSNU-SJORKVTESA-N 2 1 269.392 2.250 20 30 CEEDMP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001034796186 809695810 /nfs/dbraw/zinc/69/58/10/809695810.db2.gz DYHDHTSJKACYSF-JYJNAYRXSA-N 2 1 293.455 2.064 20 30 CEEDMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(C#N)s1)C2 ZINC001169100516 811373050 /nfs/dbraw/zinc/37/30/50/811373050.db2.gz KHXHMFAABWDKEG-ZSBIGDGJSA-N 2 1 261.394 2.335 20 30 CEEDMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(C#N)s1)C2 ZINC001169100516 811373058 /nfs/dbraw/zinc/37/30/58/811373058.db2.gz KHXHMFAABWDKEG-ZSBIGDGJSA-N 2 1 261.394 2.335 20 30 CEEDMP CC[NH+]1CCC([NH2+]CCOc2cccc(C#N)c2)CC1 ZINC001169233161 811447198 /nfs/dbraw/zinc/44/71/98/811447198.db2.gz NSQYMMZTZICVOD-UHFFFAOYSA-N 2 1 273.380 2.011 20 30 CEEDMP C=CCC[NH+]1CCC(C)(NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001045528695 811622883 /nfs/dbraw/zinc/62/28/83/811622883.db2.gz BMVZETHYNDWFNU-HNNXBMFYSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001110002629 811982406 /nfs/dbraw/zinc/98/24/06/811982406.db2.gz NXIODBKNZSVRJI-PMPSAXMXSA-N 2 1 293.455 2.016 20 30 CEEDMP CCCCCCC[NH+]1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001113495698 812260900 /nfs/dbraw/zinc/26/09/00/812260900.db2.gz UDXJMLSLIUDWMY-UHFFFAOYSA-N 2 1 297.487 2.443 20 30 CEEDMP C=CC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)CC[C@H]1C ZINC001132310912 812829914 /nfs/dbraw/zinc/82/99/14/812829914.db2.gz PZDWEGGXFZWFRY-CABCVRRESA-N 2 1 295.471 2.119 20 30 CEEDMP C=CC[NH+]1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)CC[C@H]1C ZINC001132310912 812829923 /nfs/dbraw/zinc/82/99/23/812829923.db2.gz PZDWEGGXFZWFRY-CABCVRRESA-N 2 1 295.471 2.119 20 30 CEEDMP C=CC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)CC[C@H]1C ZINC001132310912 812829935 /nfs/dbraw/zinc/82/99/35/812829935.db2.gz PZDWEGGXFZWFRY-CABCVRRESA-N 2 1 295.471 2.119 20 30 CEEDMP C=CCCC[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CC)CC[C@@H]1C ZINC001132410837 812842985 /nfs/dbraw/zinc/84/29/85/812842985.db2.gz OYIRAWDFQUDQSR-HOTGVXAUSA-N 2 1 295.471 2.264 20 30 CEEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)CC[C@@H]1C ZINC001132410837 812842992 /nfs/dbraw/zinc/84/29/92/812842992.db2.gz OYIRAWDFQUDQSR-HOTGVXAUSA-N 2 1 295.471 2.264 20 30 CEEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)CC[C@@H]1C ZINC001132410837 812843003 /nfs/dbraw/zinc/84/30/03/812843003.db2.gz OYIRAWDFQUDQSR-HOTGVXAUSA-N 2 1 295.471 2.264 20 30 CEEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)CC[C@@H]1C ZINC001132434092 812849163 /nfs/dbraw/zinc/84/91/63/812849163.db2.gz TYFPXPUXTMEYTR-HOTGVXAUSA-N 2 1 295.471 2.264 20 30 CEEDMP C=CCC[NH2+]CCCNC(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC001170784017 813350822 /nfs/dbraw/zinc/35/08/22/813350822.db2.gz CGYDOAGZEPRQPD-MRXNPFEDSA-N 2 1 295.471 2.313 20 30 CEEDMP C=CCC[C@@H](C)[NH2+]CCNC(=O)CCCn1cc[nH+]c1C ZINC001135307154 813403405 /nfs/dbraw/zinc/40/34/05/813403405.db2.gz QBDOZGJLPKUPMJ-CQSZACIVSA-N 2 1 292.427 2.032 20 30 CEEDMP C=CC[N@@H+]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[C@H]1C ZINC001071738093 813473461 /nfs/dbraw/zinc/47/34/61/813473461.db2.gz AEPQKQVFZRBFMT-HUUCEWRRSA-N 2 1 293.455 2.016 20 30 CEEDMP CCCCCCC[C@H](C)[N@H+]1C[C@H]2C[NH2+]C[C@@]2(CO)C1 ZINC001246644780 814242018 /nfs/dbraw/zinc/24/20/18/814242018.db2.gz JBXHAECTNQCQES-XHSDSOJGSA-N 2 1 268.445 2.249 20 30 CEEDMP CCCCCCC[NH2+]CCNC(=O)CC[N@@H+](C)CC ZINC001146711722 814311812 /nfs/dbraw/zinc/31/18/12/814311812.db2.gz VLAYPBMLVCVEFM-UHFFFAOYSA-N 2 1 271.449 2.004 20 30 CEEDMP C=CC[NH+](CC=C)[C@H](CNc1cc(N)[nH+]cn1)C(C)C ZINC001115988304 814763948 /nfs/dbraw/zinc/76/39/48/814763948.db2.gz CHZQZCHJYGVOFG-CYBMUJFWSA-N 2 1 275.400 2.169 20 30 CEEDMP C=CCCCCC[NH2+]CCCNC(=O)Cn1cc[nH+]c1C ZINC001176132963 816345977 /nfs/dbraw/zinc/34/59/77/816345977.db2.gz MWLDZHXZKYEMTC-UHFFFAOYSA-N 2 1 292.427 2.034 20 30 CEEDMP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001176590797 816438249 /nfs/dbraw/zinc/43/82/49/816438249.db2.gz CVFUNZBNPFMEIM-AWEZNQCLSA-N 2 1 292.427 2.032 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+]C2CCN(C(=O)CC)CC2)CC1 ZINC000089152517 539031594 /nfs/dbraw/zinc/03/15/94/539031594.db2.gz QSTKEWMNIDNHFJ-UHFFFAOYSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000285410881 344678547 /nfs/dbraw/zinc/67/85/47/344678547.db2.gz BJZJUEPAKWALAF-LJQANCHMSA-N 2 1 299.462 2.455 20 30 CEEDMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)CC1(C#N)CCOCC1 ZINC000602517072 347064711 /nfs/dbraw/zinc/06/47/11/347064711.db2.gz BCIVAARHNYCZAG-CQSZACIVSA-N 2 1 290.411 2.270 20 30 CEEDMP C=CCOc1ccc(C[NH2+]CCc2c[nH+]cn2C)cc1 ZINC000401832451 344870402 /nfs/dbraw/zinc/87/04/02/344870402.db2.gz GTQFWTUTFXWTOL-UHFFFAOYSA-N 2 1 271.364 2.317 20 30 CEEDMP N#Cc1ccc(N2CCC([NH2+]C[C@H]3CCCC[NH2+]3)CC2)cc1 ZINC000591577755 345266018 /nfs/dbraw/zinc/26/60/18/345266018.db2.gz DRDCZDHMARQCOK-QGZVFWFLSA-N 2 1 298.434 2.259 20 30 CEEDMP C[NH+](C)CCC[N@H+](C)CCNc1c(F)cc(C#N)cc1F ZINC000596425616 346020052 /nfs/dbraw/zinc/02/00/52/346020052.db2.gz SOOPRDVLVYFRTR-UHFFFAOYSA-N 2 1 296.365 2.132 20 30 CEEDMP C[NH+](C)CCC[N@@H+](C)CCNc1c(F)cc(C#N)cc1F ZINC000596425616 346020053 /nfs/dbraw/zinc/02/00/53/346020053.db2.gz SOOPRDVLVYFRTR-UHFFFAOYSA-N 2 1 296.365 2.132 20 30 CEEDMP C[C@@H]([NH2+]CCc1ccc(C#N)cc1)[C@H]1CCCC[NH2+]1 ZINC000596650970 346072162 /nfs/dbraw/zinc/07/21/62/346072162.db2.gz MQHPMFHASOOXKW-CZUORRHYSA-N 2 1 257.381 2.221 20 30 CEEDMP C[C@H]1CCC[N@@H+](CCCC[NH2+]C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598716175 346406520 /nfs/dbraw/zinc/40/65/20/346406520.db2.gz ZCUBOCSSUSCRKN-HOTGVXAUSA-N 2 1 295.471 2.389 20 30 CEEDMP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cccc(C#N)c3)CC[C@@H]21 ZINC000129106155 365824835 /nfs/dbraw/zinc/82/48/35/365824835.db2.gz QJKWNOFIAGSDKN-SJORKVTESA-N 2 1 269.392 2.474 20 30 CEEDMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cccc(C#N)c3)CC[C@@H]21 ZINC000129106155 365824839 /nfs/dbraw/zinc/82/48/39/365824839.db2.gz QJKWNOFIAGSDKN-SJORKVTESA-N 2 1 269.392 2.474 20 30 CEEDMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cccc(C#N)c3)CC[C@@H]21 ZINC000129106155 365824841 /nfs/dbraw/zinc/82/48/41/365824841.db2.gz QJKWNOFIAGSDKN-SJORKVTESA-N 2 1 269.392 2.474 20 30 CEEDMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)CC[C@@H]21 ZINC000129106155 365824845 /nfs/dbraw/zinc/82/48/45/365824845.db2.gz QJKWNOFIAGSDKN-SJORKVTESA-N 2 1 269.392 2.474 20 30 CEEDMP C[N@@H+](CCC[NH2+]C[C@@H](O)CC1(C#N)CC1)C1CCCCC1 ZINC000600719307 346677950 /nfs/dbraw/zinc/67/79/50/346677950.db2.gz UXUCLLLFJWDANZ-INIZCTEOSA-N 2 1 293.455 2.285 20 30 CEEDMP N#Cc1ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)o1 ZINC000600767258 346686472 /nfs/dbraw/zinc/68/64/72/346686472.db2.gz AHMYMAUVCKVLEV-KBPBESRZSA-N 2 1 273.380 2.363 20 30 CEEDMP C[C@H]1C[N@H+](CCC[NH2+]C2CCC(C#N)CC2)CCCO1 ZINC000602635479 347115967 /nfs/dbraw/zinc/11/59/67/347115967.db2.gz ZBESOUZVNUKFDP-FHERZECASA-N 2 1 279.428 2.159 20 30 CEEDMP C[C@H]1C[N@@H+](CCC[NH2+]C2CCC(C#N)CC2)CCCO1 ZINC000602635479 347115971 /nfs/dbraw/zinc/11/59/71/347115971.db2.gz ZBESOUZVNUKFDP-FHERZECASA-N 2 1 279.428 2.159 20 30 CEEDMP C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3C#N)C2)CC1 ZINC000602878944 347236067 /nfs/dbraw/zinc/23/60/67/347236067.db2.gz VRKKMGNSXWWZAU-UHFFFAOYSA-N 2 1 269.392 2.476 20 30 CEEDMP CC(C)(C#N)c1ccccc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000610859159 347718460 /nfs/dbraw/zinc/71/84/60/347718460.db2.gz DMSADYDWQTUZSV-GASCZTMLSA-N 2 1 269.392 2.139 20 30 CEEDMP CC(C)(C#N)c1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000614160906 348152485 /nfs/dbraw/zinc/15/24/85/348152485.db2.gz TXBSINAZNOXBMW-GASCZTMLSA-N 2 1 269.392 2.139 20 30 CEEDMP C[N@@H+]1[C@@H]2CCC[C@H]1CC(NCc1ccc(C#N)o1)C2 ZINC000135233795 366412973 /nfs/dbraw/zinc/41/29/73/366412973.db2.gz HCZQWIROEBYCKL-YHWZYXNKSA-N 2 1 259.353 2.256 20 30 CEEDMP C[N@H+]1[C@@H]2CCC[C@H]1CC([NH2+]Cc1ccc(C#N)o1)C2 ZINC000135233795 366412981 /nfs/dbraw/zinc/41/29/81/366412981.db2.gz HCZQWIROEBYCKL-YHWZYXNKSA-N 2 1 259.353 2.256 20 30 CEEDMP C[N@@H+]1[C@@H]2CCC[C@H]1CC([NH2+]Cc1ccc(C#N)o1)C2 ZINC000135233795 366412988 /nfs/dbraw/zinc/41/29/88/366412988.db2.gz HCZQWIROEBYCKL-YHWZYXNKSA-N 2 1 259.353 2.256 20 30 CEEDMP C[C@@H](C[NH2+]Cc1ccc(C#N)s1)C[NH+]1CCCC1 ZINC000135681559 366467174 /nfs/dbraw/zinc/46/71/74/366467174.db2.gz PNMNQUIAQVWBAY-LBPRGKRZSA-N 2 1 263.410 2.441 20 30 CEEDMP N#Cc1cccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000150767336 366595879 /nfs/dbraw/zinc/59/58/79/366595879.db2.gz FFLWJTAZKFCORL-KRWDZBQOSA-N 2 1 269.392 2.476 20 30 CEEDMP N#Cc1cccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000150767336 366595886 /nfs/dbraw/zinc/59/58/86/366595886.db2.gz FFLWJTAZKFCORL-KRWDZBQOSA-N 2 1 269.392 2.476 20 30 CEEDMP C[N@H+](CC[C@H]1CCC[NH+]1C)Cc1cccc(C#N)c1 ZINC000089424407 363964799 /nfs/dbraw/zinc/96/47/99/363964799.db2.gz ZXUSNCKITMVJPX-MRXNPFEDSA-N 2 1 257.381 2.474 20 30 CEEDMP C[N@@H+](CC[C@H]1CCC[NH+]1C)Cc1cccc(C#N)c1 ZINC000089424407 363964806 /nfs/dbraw/zinc/96/48/06/363964806.db2.gz ZXUSNCKITMVJPX-MRXNPFEDSA-N 2 1 257.381 2.474 20 30 CEEDMP C[NH+](CC[C@H]1CCC[N@@H+]1C)Cc1cccc(C#N)c1 ZINC000089424407 363964811 /nfs/dbraw/zinc/96/48/11/363964811.db2.gz ZXUSNCKITMVJPX-MRXNPFEDSA-N 2 1 257.381 2.474 20 30 CEEDMP C[NH+](CC[C@H]1CCC[N@H+]1C)Cc1cccc(C#N)c1 ZINC000089424407 363964817 /nfs/dbraw/zinc/96/48/17/363964817.db2.gz ZXUSNCKITMVJPX-MRXNPFEDSA-N 2 1 257.381 2.474 20 30 CEEDMP CC[N@H+]1CC[C@@H]([NH2+]CCOc2ccc(C#N)cc2)[C@H](C)C1 ZINC000090106714 364040494 /nfs/dbraw/zinc/04/04/94/364040494.db2.gz GVJLDKAWJPGCPV-RHSMWYFYSA-N 2 1 287.407 2.257 20 30 CEEDMP N#Cc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000334979860 364303875 /nfs/dbraw/zinc/30/38/75/364303875.db2.gz JWGSVCMYBPILRS-IAGOWNOFSA-N 2 1 269.392 2.380 20 30 CEEDMP C=C(Br)CN1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000158556835 366858595 /nfs/dbraw/zinc/85/85/95/366858595.db2.gz MBPFFGVDAQJKFX-RYUDHWBXSA-N 2 1 273.218 2.311 20 30 CEEDMP C=CCc1cc(C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)cc(OC)c1O ZINC000346693815 368776421 /nfs/dbraw/zinc/77/64/21/368776421.db2.gz PVDSDYLQCXMFFA-OCCSQVGLSA-N 2 1 290.407 2.298 20 30 CEEDMP C=CCC[C@H](O)C[NH+](C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000351412170 369635160 /nfs/dbraw/zinc/63/51/60/369635160.db2.gz LPOCJMUKIDBRFS-ILXRZTDVSA-N 2 1 254.418 2.118 20 30 CEEDMP C=CCC[C@H](O)C[N@@H+](C)[C@H]1CC[NH+](CC)[C@H](C)C1 ZINC000351412170 369635164 /nfs/dbraw/zinc/63/51/64/369635164.db2.gz LPOCJMUKIDBRFS-ILXRZTDVSA-N 2 1 254.418 2.118 20 30 CEEDMP C=CCC[C@H](O)C[N@H+](C)[C@H]1CC[NH+](CC)[C@H](C)C1 ZINC000351412170 369635167 /nfs/dbraw/zinc/63/51/67/369635167.db2.gz LPOCJMUKIDBRFS-ILXRZTDVSA-N 2 1 254.418 2.118 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCOC[C@@H]2C)CC1 ZINC000192539549 369826181 /nfs/dbraw/zinc/82/61/81/369826181.db2.gz NLWKJTYQPJZOQZ-DZGCQCFKSA-N 2 1 252.402 2.042 20 30 CEEDMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(C#N)cc3)CC[C@H]21 ZINC000227336053 370367753 /nfs/dbraw/zinc/36/77/53/370367753.db2.gz LFPKFRHZQFGNDE-IAGOWNOFSA-N 2 1 269.392 2.474 20 30 CEEDMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)CC[C@H]21 ZINC000227336053 370367759 /nfs/dbraw/zinc/36/77/59/370367759.db2.gz LFPKFRHZQFGNDE-IAGOWNOFSA-N 2 1 269.392 2.474 20 30 CEEDMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)CC[C@H]21 ZINC000227336053 370367762 /nfs/dbraw/zinc/36/77/62/370367762.db2.gz LFPKFRHZQFGNDE-IAGOWNOFSA-N 2 1 269.392 2.474 20 30 CEEDMP COc1ccc(C[NH2+]CCC[N@H+](C)C(C)C)cc1C#N ZINC000230639611 370461922 /nfs/dbraw/zinc/46/19/22/370461922.db2.gz LTWODUHZBVSNRQ-UHFFFAOYSA-N 2 1 275.396 2.387 20 30 CEEDMP COc1ccc(C[NH2+]CCC[N@@H+](C)C(C)C)cc1C#N ZINC000230639611 370461924 /nfs/dbraw/zinc/46/19/24/370461924.db2.gz LTWODUHZBVSNRQ-UHFFFAOYSA-N 2 1 275.396 2.387 20 30 CEEDMP CCc1cccc(NC(=[NH2+])NC[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000264095846 371968880 /nfs/dbraw/zinc/96/88/80/371968880.db2.gz MLOVEWVLAAQMEK-AWEZNQCLSA-N 2 1 286.423 2.460 20 30 CEEDMP CNC(=[NH2+])NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000264125644 371974180 /nfs/dbraw/zinc/97/41/80/371974180.db2.gz SEPSKJHMSYGVKZ-CYBMUJFWSA-N 2 1 274.412 2.095 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+]C1CCC2(CCOCC2)CC1 ZINC000491210746 261371941 /nfs/dbraw/zinc/37/19/41/261371941.db2.gz YFWGUKILFIVEBP-UHFFFAOYSA-N 2 1 278.440 2.271 20 30 CEEDMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3ccc(C#N)o3)C2)CC1 ZINC000290324809 376734582 /nfs/dbraw/zinc/73/45/82/376734582.db2.gz DIKIMEYLIAVHHP-AWEZNQCLSA-N 2 1 273.380 2.315 20 30 CEEDMP Cn1cc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)cc1C#N ZINC000290373895 376752807 /nfs/dbraw/zinc/75/28/07/376752807.db2.gz HQYFXNHBIOKZRW-INIZCTEOSA-N 2 1 286.423 2.060 20 30 CEEDMP C=CCCCC[N@H+]1CCC[C@H](CN2CCOCC2)C1 ZINC000562542277 376927518 /nfs/dbraw/zinc/92/75/18/376927518.db2.gz KSHVCAKJVUTOQT-INIZCTEOSA-N 2 1 266.429 2.387 20 30 CEEDMP C#CCOc1ccccc1C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292691979 377262157 /nfs/dbraw/zinc/26/21/57/377262157.db2.gz BPIATXPVUVCIPP-GOSISDBHSA-N 2 1 284.403 2.226 20 30 CEEDMP C#CCOc1ccccc1C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292691979 377262166 /nfs/dbraw/zinc/26/21/66/377262166.db2.gz BPIATXPVUVCIPP-GOSISDBHSA-N 2 1 284.403 2.226 20 30 CEEDMP C#CCOc1ccccc1C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292691979 377262176 /nfs/dbraw/zinc/26/21/76/377262176.db2.gz BPIATXPVUVCIPP-GOSISDBHSA-N 2 1 284.403 2.226 20 30 CEEDMP C#CCOc1ccccc1C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292691979 377262184 /nfs/dbraw/zinc/26/21/84/377262184.db2.gz BPIATXPVUVCIPP-GOSISDBHSA-N 2 1 284.403 2.226 20 30 CEEDMP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccc(C#N)cc3)C2)C1 ZINC000293095541 377425960 /nfs/dbraw/zinc/42/59/60/377425960.db2.gz XJLINLDUSYEUSL-KRWDZBQOSA-N 2 1 269.392 2.476 20 30 CEEDMP C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccc(C#N)cc3)C2)C1 ZINC000293095541 377425964 /nfs/dbraw/zinc/42/59/64/377425964.db2.gz XJLINLDUSYEUSL-KRWDZBQOSA-N 2 1 269.392 2.476 20 30 CEEDMP C[NH+]1CCC[C@]2(CC[N@H+](Cc3ccc(C#N)cc3)C2)C1 ZINC000293095541 377425970 /nfs/dbraw/zinc/42/59/70/377425970.db2.gz XJLINLDUSYEUSL-KRWDZBQOSA-N 2 1 269.392 2.476 20 30 CEEDMP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccc(C#N)cc3)C2)C1 ZINC000293095541 377425975 /nfs/dbraw/zinc/42/59/75/377425975.db2.gz XJLINLDUSYEUSL-KRWDZBQOSA-N 2 1 269.392 2.476 20 30 CEEDMP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000436303710 377823077 /nfs/dbraw/zinc/82/30/77/377823077.db2.gz CIWUOEIDFIHYPG-YJNKXOJESA-N 2 1 252.402 2.040 20 30 CEEDMP C=CCCC[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000441270109 377934333 /nfs/dbraw/zinc/93/43/33/377934333.db2.gz NTKQJVTYIAHXNG-RBSFLKMASA-N 2 1 252.402 2.136 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCc2ccc(OC)cc21 ZINC000294979758 378033047 /nfs/dbraw/zinc/03/30/47/378033047.db2.gz KMTZDHIEIGMXEC-QGZVFWFLSA-N 2 1 272.392 2.227 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCc2ccc(OC)cc21 ZINC000294979758 378033048 /nfs/dbraw/zinc/03/30/48/378033048.db2.gz KMTZDHIEIGMXEC-QGZVFWFLSA-N 2 1 272.392 2.227 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)[C@H](OC)c1ccccc1 ZINC000295042297 378035511 /nfs/dbraw/zinc/03/55/11/378035511.db2.gz POOOEJLXMGASEO-WBVHZDCISA-N 2 1 274.408 2.307 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)[C@H](OC)c1ccccc1 ZINC000295042297 378035519 /nfs/dbraw/zinc/03/55/19/378035519.db2.gz POOOEJLXMGASEO-WBVHZDCISA-N 2 1 274.408 2.307 20 30 CEEDMP C#CCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000266175956 190237264 /nfs/dbraw/zinc/23/72/64/190237264.db2.gz SWGORTCJVVEQMU-GOEBONIOSA-N 2 1 272.392 2.271 20 30 CEEDMP C[N@H+](Cc1ccc(OCC#N)cc1)C[C@H]1CCC[NH+](C)C1 ZINC000265944619 394656761 /nfs/dbraw/zinc/65/67/61/394656761.db2.gz GJJVPESBQFQXSG-INIZCTEOSA-N 2 1 287.407 2.363 20 30 CEEDMP C[NH+](Cc1ccc(OCC#N)cc1)C[C@H]1CCC[N@H+](C)C1 ZINC000265944619 394656764 /nfs/dbraw/zinc/65/67/64/394656764.db2.gz GJJVPESBQFQXSG-INIZCTEOSA-N 2 1 287.407 2.363 20 30 CEEDMP C[NH+](Cc1ccc(OCC#N)cc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000265944619 394656766 /nfs/dbraw/zinc/65/67/66/394656766.db2.gz GJJVPESBQFQXSG-INIZCTEOSA-N 2 1 287.407 2.363 20 30 CEEDMP C=CCCOCC[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000362309841 394852652 /nfs/dbraw/zinc/85/26/52/394852652.db2.gz NYKBQXMUQWFGOI-GVDBMIGSSA-N 2 1 296.455 2.058 20 30 CEEDMP C=CCN1CCC([NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)CC1 ZINC000367619899 394966687 /nfs/dbraw/zinc/96/66/87/394966687.db2.gz PSJFEKVBTDHPKL-GVDBMIGSSA-N 2 1 277.456 2.099 20 30 CEEDMP C#Cc1ccc(C[NH2+]C[C@H]2CC[N@H+](CCC)C2)cc1 ZINC000289182890 395071397 /nfs/dbraw/zinc/07/13/97/395071397.db2.gz GFWKQZYIMWJHMW-QGZVFWFLSA-N 2 1 256.393 2.489 20 30 CEEDMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CC(C)(C)CCC#N ZINC000374253227 395077792 /nfs/dbraw/zinc/07/77/92/395077792.db2.gz GIVBZVFQMXNPSI-OWCLPIDISA-N 2 1 293.455 2.500 20 30 CEEDMP C=CCOCCC[NH+](C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000348061185 395134508 /nfs/dbraw/zinc/13/45/08/395134508.db2.gz YCHHPDOQYPJZKO-GJZGRUSLSA-N 2 1 254.418 2.241 20 30 CEEDMP C=CCOCCC[N@@H+](C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000348061185 395134510 /nfs/dbraw/zinc/13/45/10/395134510.db2.gz YCHHPDOQYPJZKO-GJZGRUSLSA-N 2 1 254.418 2.241 20 30 CEEDMP C=CCOCCC[N@H+](C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000348061185 395134512 /nfs/dbraw/zinc/13/45/12/395134512.db2.gz YCHHPDOQYPJZKO-GJZGRUSLSA-N 2 1 254.418 2.241 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000647792872 395755374 /nfs/dbraw/zinc/75/53/74/395755374.db2.gz CJPQRPNQOQSYNS-YQQAZPJKSA-N 3 1 277.456 2.005 20 30 CEEDMP C=CCOc1ccc(C[N@H+]2C[C@@H](C[NH3+])[C@H](OCC)C2)cc1 ZINC000650715129 401005659 /nfs/dbraw/zinc/00/56/59/401005659.db2.gz QPUOPGLUMMPISB-NVXWUHKLSA-N 2 1 290.407 2.047 20 30 CEEDMP C=CC[C@H]1CC[C@H]([NH2+]CCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC000651794291 401393196 /nfs/dbraw/zinc/39/31/96/401393196.db2.gz PZDUBDUDFZYTCD-HOTGVXAUSA-N 2 1 279.472 2.347 20 30 CEEDMP C[N@H+]1CC[C@H]([NH2+]CCOc2ccc(C#N)cc2)[C@H]2CCC[C@H]21 ZINC000367598303 156215544 /nfs/dbraw/zinc/21/55/44/156215544.db2.gz DPENOAXGEZZTSN-FGTMMUONSA-N 2 1 299.418 2.399 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CO[C@@H](CC)C2)CC1 ZINC000657352206 414877287 /nfs/dbraw/zinc/87/72/87/414877287.db2.gz FPBNZEUUHDLPMP-GJZGRUSLSA-N 2 1 252.402 2.184 20 30 CEEDMP C=C(C)C[NH+]1CCC(Nc2cc(CO)cc(C)[nH+]2)CC1 ZINC000663568547 414990287 /nfs/dbraw/zinc/99/02/87/414990287.db2.gz XHUAYYWMLISWRI-UHFFFAOYSA-N 2 1 275.396 2.335 20 30 CEEDMP C[C@@H]1C[C@H]([NH+](C)CCCSCC#N)CC[N@@H+]1C ZINC000174173115 261180732 /nfs/dbraw/zinc/18/07/32/261180732.db2.gz IAXSPNHCUNSXDR-CHWSQXEVSA-N 2 1 255.431 2.048 20 30 CEEDMP C[C@@H]1C[C@H]([NH+](C)CCCSCC#N)CC[N@H+]1C ZINC000174173115 261180733 /nfs/dbraw/zinc/18/07/33/261180733.db2.gz IAXSPNHCUNSXDR-CHWSQXEVSA-N 2 1 255.431 2.048 20 30 CEEDMP C[C@@H]1C[C@H]([N@H+](C)CCCSCC#N)CC[NH+]1C ZINC000174173115 261180734 /nfs/dbraw/zinc/18/07/34/261180734.db2.gz IAXSPNHCUNSXDR-CHWSQXEVSA-N 2 1 255.431 2.048 20 30 CEEDMP C[C@@H]1C[C@H]([N@@H+](C)CCCSCC#N)CC[NH+]1C ZINC000174173115 261180735 /nfs/dbraw/zinc/18/07/35/261180735.db2.gz IAXSPNHCUNSXDR-CHWSQXEVSA-N 2 1 255.431 2.048 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+]C1CCC2(CCOCC2)CC1 ZINC000491210746 261371940 /nfs/dbraw/zinc/37/19/40/261371940.db2.gz YFWGUKILFIVEBP-UHFFFAOYSA-N 2 1 278.440 2.271 20 30 CEEDMP N#CCCC[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000280648780 263063532 /nfs/dbraw/zinc/06/35/32/263063532.db2.gz ZXKGVZILORMQSK-CALCHBBNSA-N 2 1 269.392 2.354 20 30 CEEDMP N#CCCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000280648780 263063533 /nfs/dbraw/zinc/06/35/33/263063533.db2.gz ZXKGVZILORMQSK-CALCHBBNSA-N 2 1 269.392 2.354 20 30 CEEDMP N#CCCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000280648780 263063534 /nfs/dbraw/zinc/06/35/34/263063534.db2.gz ZXKGVZILORMQSK-CALCHBBNSA-N 2 1 269.392 2.354 20 30 CEEDMP N#CCCC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000280648780 263063535 /nfs/dbraw/zinc/06/35/35/263063535.db2.gz ZXKGVZILORMQSK-CALCHBBNSA-N 2 1 269.392 2.354 20 30 CEEDMP C[C@H]1CCC[N@@H+](CCNC(=[NH2+])Nc2cc(F)ccc2F)C1 ZINC000288807552 263106145 /nfs/dbraw/zinc/10/61/45/263106145.db2.gz ZZSZCPXFZIMKOO-NSHDSACASA-N 2 1 296.365 2.423 20 30 CEEDMP C#C[C@H]([NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@@H]1C)C(C)C ZINC000368036380 267139013 /nfs/dbraw/zinc/13/90/13/267139013.db2.gz ISJBPTLVWQZEIZ-LUKYLMHMSA-N 2 1 278.440 2.123 20 30 CEEDMP C#C[C@H]([NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@@H]1C)C(C)C ZINC000368036380 267139018 /nfs/dbraw/zinc/13/90/18/267139018.db2.gz ISJBPTLVWQZEIZ-LUKYLMHMSA-N 2 1 278.440 2.123 20 30 CEEDMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cc(C#N)cs2)C1 ZINC000459729331 267338177 /nfs/dbraw/zinc/33/81/77/267338177.db2.gz JBCSHRWRAWOWGV-GFCCVEGCSA-N 2 1 263.410 2.441 20 30 CEEDMP C[C@H](c1ccc(C#N)cc1)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193653706 290222850 /nfs/dbraw/zinc/22/28/50/290222850.db2.gz UIOJUHCHKCYAFH-WQVCFCJDSA-N 2 1 255.365 2.113 20 30 CEEDMP C[C@H](c1ccc(C#N)cc1)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193653706 290222852 /nfs/dbraw/zinc/22/28/52/290222852.db2.gz UIOJUHCHKCYAFH-WQVCFCJDSA-N 2 1 255.365 2.113 20 30 CEEDMP C[C@H](c1ccc(C#N)cc1)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193653706 290222853 /nfs/dbraw/zinc/22/28/53/290222853.db2.gz UIOJUHCHKCYAFH-WQVCFCJDSA-N 2 1 255.365 2.113 20 30 CEEDMP C[C@H](c1ccc(C#N)cc1)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193653706 290222855 /nfs/dbraw/zinc/22/28/55/290222855.db2.gz UIOJUHCHKCYAFH-WQVCFCJDSA-N 2 1 255.365 2.113 20 30 CEEDMP C=CC[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000377999212 329036749 /nfs/dbraw/zinc/03/67/49/329036749.db2.gz IRCBPLRNPDDBLB-UHFFFAOYSA-N 2 1 279.472 2.301 20 30 CEEDMP C=CC[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000377999212 329036750 /nfs/dbraw/zinc/03/67/50/329036750.db2.gz IRCBPLRNPDDBLB-UHFFFAOYSA-N 3 1 279.472 2.301 20 30 CEEDMP C=CC[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000377999212 329036752 /nfs/dbraw/zinc/03/67/52/329036752.db2.gz IRCBPLRNPDDBLB-UHFFFAOYSA-N 3 1 279.472 2.301 20 30 CEEDMP Cc1ccc(NC(=[NH2+])NCC[N@H+]2CC=CCC2)cc1C ZINC000280004387 328234206 /nfs/dbraw/zinc/23/42/06/328234206.db2.gz NDFOLCSNIDNZKM-UHFFFAOYSA-N 2 1 272.396 2.292 20 30 CEEDMP Cc1ccc(NC(=[NH2+])NCC[N@@H+]2CC=CCC2)cc1C ZINC000280004387 328234207 /nfs/dbraw/zinc/23/42/07/328234207.db2.gz NDFOLCSNIDNZKM-UHFFFAOYSA-N 2 1 272.396 2.292 20 30 CEEDMP CC[C@@H](C)[N@@H+](C)CCNC(=[NH2+])Nc1cc(F)ccc1F ZINC000288753615 328253516 /nfs/dbraw/zinc/25/35/16/328253516.db2.gz RDEBJIXKDXHFND-SNVBAGLBSA-N 2 1 284.354 2.422 20 30 CEEDMP C[NH+](C)Cc1ccc(C[NH2+]C[C@H](C#N)CCC#N)cc1 ZINC000582681583 329127771 /nfs/dbraw/zinc/12/77/71/329127771.db2.gz FFYJQMSLFMWNDE-INIZCTEOSA-N 2 1 270.380 2.281 20 30 CEEDMP C[N@H+]1CCC[C@H](CNC(=[NH2+])NC2CC2)[C@H]1c1cccs1 ZINC000262672572 330025976 /nfs/dbraw/zinc/02/59/76/330025976.db2.gz PZELAYAVIWXHBH-RISCZKNCSA-N 2 1 292.452 2.198 20 30 CEEDMP C=C(C)CN(Cc1ccccc1)C[C@H](O)C[N@H+](C)CC ZINC000580445573 330139380 /nfs/dbraw/zinc/13/93/80/330139380.db2.gz KMFFZFMEHKSPHD-QGZVFWFLSA-N 2 1 276.424 2.377 20 30 CEEDMP C=C(C)C[NH+]1CCC(N[C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000422972649 330164720 /nfs/dbraw/zinc/16/47/20/330164720.db2.gz ACOWISKDQGRJCP-GDBMZVCRSA-N 2 1 265.445 2.134 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000491813984 332365618 /nfs/dbraw/zinc/36/56/18/332365618.db2.gz CABBTEBEQKSTNP-OAHLLOKOSA-N 2 1 298.789 2.057 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000491813984 332365619 /nfs/dbraw/zinc/36/56/19/332365619.db2.gz CABBTEBEQKSTNP-OAHLLOKOSA-N 2 1 298.789 2.057 20 30 CEEDMP CCNC(NCCC[N@@H+](C)C1CCCCC1)=[NH+]CC ZINC000066242098 625814918 /nfs/dbraw/zinc/81/49/18/625814918.db2.gz OYROLFRIUSNNPM-UHFFFAOYSA-N 2 1 268.449 2.216 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+]C/C=C\c1ccccc1OC ZINC000820847139 634550308 /nfs/dbraw/zinc/55/03/08/634550308.db2.gz RYQJAGNZIOTETM-YFHOEESVSA-N 2 1 272.392 2.253 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+]C/C=C\c1ccccc1OC ZINC000820847139 634550313 /nfs/dbraw/zinc/55/03/13/634550313.db2.gz RYQJAGNZIOTETM-YFHOEESVSA-N 2 1 272.392 2.253 20 30 CEEDMP C=C(C)CN1CCC([NH2+]Cc2ccc(OC)cn2)CC1 ZINC000892880679 627827615 /nfs/dbraw/zinc/82/76/15/627827615.db2.gz FSDHHNHGLCOLIS-UHFFFAOYSA-N 2 1 275.396 2.220 20 30 CEEDMP CC1(C)C[C@@H]([NH2+]Cc2nc(C#N)cs2)C[C@@H]([NH3+])C1 ZINC000902443898 634661325 /nfs/dbraw/zinc/66/13/25/634661325.db2.gz FSMBMJQQXUFBQY-ZJUUUORDSA-N 2 1 264.398 2.010 20 30 CEEDMP C=C(C)CNC(=[NH2+])NC[C@@H]1CCCC[N@@H+]1CCCC ZINC000104181582 628711709 /nfs/dbraw/zinc/71/17/09/628711709.db2.gz QNPRNZHBIQHCPZ-AWEZNQCLSA-N 2 1 266.433 2.121 20 30 CEEDMP C=CCC[C@@H](CC)[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000925794974 628840295 /nfs/dbraw/zinc/84/02/95/628840295.db2.gz NAJODOPNNGTGHB-CABCVRRESA-N 2 1 266.429 2.480 20 30 CEEDMP C[N@@H+](CCCNC(=[NH2+])N1CCSCC1)C1CCCCC1 ZINC000303886163 631092930 /nfs/dbraw/zinc/09/29/30/631092930.db2.gz KDECGPNRUTZUGJ-UHFFFAOYSA-N 2 1 298.500 2.005 20 30 CEEDMP C=CC[N@H+](CCCN1CC[NH+](C(C)C)CC1)C(C)C ZINC000800334471 631112637 /nfs/dbraw/zinc/11/26/37/631112637.db2.gz DPURCOCSBRPBSH-UHFFFAOYSA-N 2 1 267.461 2.299 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1C[C@H](OC(C)C)C1(C)C ZINC000815652205 633044138 /nfs/dbraw/zinc/04/41/38/633044138.db2.gz UGLJAIXAWPRVMY-CABCVRRESA-N 2 1 266.429 2.123 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1C[C@H](OC(C)C)C1(C)C ZINC000815652205 633044142 /nfs/dbraw/zinc/04/41/42/633044142.db2.gz UGLJAIXAWPRVMY-CABCVRRESA-N 2 1 266.429 2.123 20 30 CEEDMP C=CCc1cc(C[NH2+][C@H](C)C2C[NH2+]C2)cc(OC)c1OC ZINC000817909427 633767712 /nfs/dbraw/zinc/76/77/12/633767712.db2.gz QWNDYVPPRVWZES-GFCCVEGCSA-N 2 1 290.407 2.130 20 30 CEEDMP N#Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)nc1 ZINC000817930391 633784980 /nfs/dbraw/zinc/78/49/80/633784980.db2.gz CNHOYFSDUQHWME-IXDOHACOSA-N 2 1 284.407 2.354 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](O)c2ccccc2F)CC1 ZINC000819024272 634043731 /nfs/dbraw/zinc/04/37/31/634043731.db2.gz NDFIMLBHIRUAMG-KRWDZBQOSA-N 2 1 292.398 2.489 20 30 CEEDMP C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904313432 635561428 /nfs/dbraw/zinc/56/14/28/635561428.db2.gz GDNVWJFKEVQAKR-OKILXGFUSA-N 2 1 275.352 2.320 20 30 CEEDMP C#CC[C@@H]1CCC[N@H+](CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000829810358 636936170 /nfs/dbraw/zinc/93/61/70/636936170.db2.gz OQYVWBUHJMCPFN-GOSISDBHSA-N 2 1 291.483 2.138 20 30 CEEDMP c1nncn1[NH+]=C1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000841605542 639792645 /nfs/dbraw/zinc/79/26/45/639792645.db2.gz XGLPLNGMNKXUHQ-INIZCTEOSA-N 2 1 281.363 2.482 20 30 CEEDMP c1nncn1[NH+]=C1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000841605542 639792651 /nfs/dbraw/zinc/79/26/51/639792651.db2.gz XGLPLNGMNKXUHQ-INIZCTEOSA-N 2 1 281.363 2.482 20 30 CEEDMP C=CC[N@@H+](C[C@H]1CC2(C[NH2+]C2)CO1)CC1CCCCC1 ZINC000923312301 643652970 /nfs/dbraw/zinc/65/29/70/643652970.db2.gz DLZBJWIKKORAFY-MRXNPFEDSA-N 2 1 278.440 2.433 20 30 CEEDMP C#CCOc1ccc(C[NH+]2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)cc1 ZINC000877742856 650887437 /nfs/dbraw/zinc/88/74/37/650887437.db2.gz GRJHGMDAYONSHY-FUHWJXTLSA-N 2 1 284.403 2.225 20 30 CEEDMP C#CCOc1ccc(C[NH+]2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)cc1 ZINC000877742856 650887440 /nfs/dbraw/zinc/88/74/40/650887440.db2.gz GRJHGMDAYONSHY-FUHWJXTLSA-N 2 1 284.403 2.225 20 30 CEEDMP C#CCOc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)cc1 ZINC000877742856 650887449 /nfs/dbraw/zinc/88/74/49/650887449.db2.gz GRJHGMDAYONSHY-FUHWJXTLSA-N 2 1 284.403 2.225 20 30 CEEDMP C#CCOc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)cc1 ZINC000877742856 650887452 /nfs/dbraw/zinc/88/74/52/650887452.db2.gz GRJHGMDAYONSHY-FUHWJXTLSA-N 2 1 284.403 2.225 20 30 CEEDMP C#CCCC[NH2+][C@@H]1CC[N@H+](CCCOCC)C[C@H]1C ZINC000766223592 645860294 /nfs/dbraw/zinc/86/02/94/645860294.db2.gz RJVAOXLXKPNVAT-HZPDHXFCSA-N 2 1 266.429 2.126 20 30 CEEDMP CN(C)c1ccc(C#N)cc1C[NH2+]C1CCN(C2CC2)CC1 ZINC000865406188 647277670 /nfs/dbraw/zinc/27/76/70/647277670.db2.gz LGXZALCICWBKOL-UHFFFAOYSA-N 2 1 298.434 2.341 20 30 CEEDMP CN(C)c1ccc(C#N)cc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000865406188 647277672 /nfs/dbraw/zinc/27/76/72/647277672.db2.gz LGXZALCICWBKOL-UHFFFAOYSA-N 2 1 298.434 2.341 20 30 CEEDMP C#CCCCCC[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000878324328 651068051 /nfs/dbraw/zinc/06/80/51/651068051.db2.gz LDFFICHYIFAENZ-MSOLQXFVSA-N 2 1 291.483 2.138 20 30 CEEDMP COCC[N@@H+](CCC(C)(C)C#N)CC1CC[NH+](C)CC1 ZINC000879125887 651247617 /nfs/dbraw/zinc/24/76/17/651247617.db2.gz LJEHKOUOEDWTRB-UHFFFAOYSA-N 2 1 281.444 2.216 20 30 CEEDMP C[C@H]1C[N@@H+](CCCCC#N)CCN1c1cc[nH+]cc1 ZINC000880260123 651412268 /nfs/dbraw/zinc/41/22/68/651412268.db2.gz BBVQMILEFMKOJD-AWEZNQCLSA-N 2 1 258.369 2.286 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(OC)c(OC)c1C ZINC000883131351 652372714 /nfs/dbraw/zinc/37/27/14/652372714.db2.gz XLYROFPCVNQBOT-UHFFFAOYSA-N 2 1 290.407 2.057 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(OC)c(OC)c1C ZINC000883131351 652372715 /nfs/dbraw/zinc/37/27/15/652372715.db2.gz XLYROFPCVNQBOT-UHFFFAOYSA-N 2 1 290.407 2.057 20 30 CEEDMP C=CC[N@H+]1CCC[C@H]1CNC1CC[NH+](CC2CC2)CC1 ZINC001168366064 806788244 /nfs/dbraw/zinc/78/82/44/806788244.db2.gz JMONIQAJDZAAPR-KRWDZBQOSA-N 2 1 277.456 2.101 20 30 CEEDMP C=CCN1CCC[C@H]1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001168366064 806788250 /nfs/dbraw/zinc/78/82/50/806788250.db2.gz JMONIQAJDZAAPR-KRWDZBQOSA-N 2 1 277.456 2.101 20 30 CEEDMP C=CCCCCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001266583133 802743390 /nfs/dbraw/zinc/74/33/90/802743390.db2.gz OADDUXFPMLXSCB-BZUAXINKSA-N 2 1 293.455 2.064 20 30 CEEDMP C=C(C)C[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001027879041 804314514 /nfs/dbraw/zinc/31/45/14/804314514.db2.gz LYHPPOVXBKFGMW-HZPDHXFCSA-N 2 1 293.455 2.016 20 30 CEEDMP C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001027879041 804314523 /nfs/dbraw/zinc/31/45/23/804314523.db2.gz LYHPPOVXBKFGMW-HZPDHXFCSA-N 2 1 293.455 2.016 20 30 CEEDMP C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001027879041 804314535 /nfs/dbraw/zinc/31/45/35/804314535.db2.gz LYHPPOVXBKFGMW-HZPDHXFCSA-N 2 1 293.455 2.016 20 30 CEEDMP C=C(C)C[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001268158509 804494386 /nfs/dbraw/zinc/49/43/86/804494386.db2.gz FTXZDRRSLVZVQU-JKSUJKDBSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)C[NH2+][C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C(C)C ZINC001268212211 804546664 /nfs/dbraw/zinc/54/66/64/804546664.db2.gz IPMLEVYQZAMUQB-ARFHVFGLSA-N 2 1 295.471 2.023 20 30 CEEDMP C=CC[NH2+]C/C=C\CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001268557277 804821229 /nfs/dbraw/zinc/82/12/29/804821229.db2.gz BPOIPWPDHKGUIZ-HJWRWDBZSA-N 2 1 293.455 2.087 20 30 CEEDMP C=CCCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001270250316 805382590 /nfs/dbraw/zinc/38/25/90/805382590.db2.gz ULZFVJLYXBIYDG-CVEARBPZSA-N 2 1 293.455 2.018 20 30 CEEDMP C=CCC[C@H](C)[NH2+]C1CCN(C(=O)C[N@H+](C)CCC)CC1 ZINC001203456270 808510776 /nfs/dbraw/zinc/51/07/76/808510776.db2.gz UICBQMSIVCYILV-HNNXBMFYSA-N 2 1 295.471 2.264 20 30 CEEDMP C=C(C)CC[NH2+]CC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001272978373 809043115 /nfs/dbraw/zinc/04/31/15/809043115.db2.gz RPERZWVIHCVIFD-JYJNAYRXSA-N 2 1 295.471 2.167 20 30 CEEDMP N#Cc1cccc(CCC[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c1 ZINC001206157581 815290295 /nfs/dbraw/zinc/29/02/95/815290295.db2.gz ZRSWORLIGQMVCN-JKSUJKDBSA-N 2 1 275.371 2.252 20 30 CEEDMP N#Cc1cccc(CCC[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c1 ZINC001206157581 815290296 /nfs/dbraw/zinc/29/02/96/815290296.db2.gz ZRSWORLIGQMVCN-JKSUJKDBSA-N 2 1 275.371 2.252 20 30 CEEDMP N#Cc1cccc(CCC[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c1 ZINC001206157578 815290701 /nfs/dbraw/zinc/29/07/01/815290701.db2.gz ZRSWORLIGQMVCN-HOTGVXAUSA-N 2 1 275.371 2.252 20 30 CEEDMP N#Cc1cccc(CCC[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c1 ZINC001206157578 815290706 /nfs/dbraw/zinc/29/07/06/815290706.db2.gz ZRSWORLIGQMVCN-HOTGVXAUSA-N 2 1 275.371 2.252 20 30 CEEDMP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(CC#N)cc3)C[C@]2(C)C1 ZINC000702415630 809552453 /nfs/dbraw/zinc/55/24/53/809552453.db2.gz BVYUCBGQFNUUKF-SJORKVTESA-N 2 1 269.392 2.136 20 30 CEEDMP C[N@H+]1C[C@@H]2C[NH+](Cc3ccc(CC#N)cc3)C[C@]2(C)C1 ZINC000702415630 809552456 /nfs/dbraw/zinc/55/24/56/809552456.db2.gz BVYUCBGQFNUUKF-SJORKVTESA-N 2 1 269.392 2.136 20 30 CEEDMP C[NH+]1C[C@@H]2C[N@H+](Cc3ccc(CC#N)cc3)C[C@]2(C)C1 ZINC000702415630 809552458 /nfs/dbraw/zinc/55/24/58/809552458.db2.gz BVYUCBGQFNUUKF-SJORKVTESA-N 2 1 269.392 2.136 20 30 CEEDMP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(CC#N)cc3)C[C@]2(C)C1 ZINC000702415630 809552461 /nfs/dbraw/zinc/55/24/61/809552461.db2.gz BVYUCBGQFNUUKF-SJORKVTESA-N 2 1 269.392 2.136 20 30 CEEDMP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001034659164 809654767 /nfs/dbraw/zinc/65/47/67/809654767.db2.gz NUARGSJVIREORO-BZUAXINKSA-N 2 1 293.455 2.064 20 30 CEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001015795932 810357159 /nfs/dbraw/zinc/35/71/59/810357159.db2.gz UBMYCLXTKFHLEQ-CVEARBPZSA-N 2 1 293.455 2.018 20 30 CEEDMP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001085244922 810703125 /nfs/dbraw/zinc/70/31/25/810703125.db2.gz DOSPMQJZDKCTJU-OAGGEKHMSA-N 2 1 293.455 2.064 20 30 CEEDMP C=CCC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001038442871 810840880 /nfs/dbraw/zinc/84/08/80/810840880.db2.gz RSODKQKXATUVJG-CQSZACIVSA-N 2 1 298.390 2.023 20 30 CEEDMP N#Cc1c[nH]c2cc[nH+]c(N[C@@H]3CCC[C@H]([NH3+])C3)c12 ZINC001154990524 810892987 /nfs/dbraw/zinc/89/29/87/810892987.db2.gz XRJZWEGCOXWOAA-WDEREUQCSA-N 2 1 255.325 2.116 20 30 CEEDMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCc1ccc(C#N)cc1)C2 ZINC001169092205 811384973 /nfs/dbraw/zinc/38/49/73/811384973.db2.gz ZWDYSYRFOUWDCH-OSYLJGHBSA-N 2 1 269.392 2.316 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+]Cc1cccc(Cl)c1 ZINC000383035206 811657974 /nfs/dbraw/zinc/65/79/74/811657974.db2.gz FKJBHVDSXMATRR-UHFFFAOYSA-N 2 1 250.773 2.385 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1cccc(Cl)c1 ZINC000383035206 811657976 /nfs/dbraw/zinc/65/79/76/811657976.db2.gz FKJBHVDSXMATRR-UHFFFAOYSA-N 2 1 250.773 2.385 20 30 CEEDMP C=CCCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)CCC)CC[C@@H]1C ZINC001132441436 812855750 /nfs/dbraw/zinc/85/57/50/812855750.db2.gz OWWHZEJZDTWBKG-HOTGVXAUSA-N 2 1 295.471 2.264 20 30 CEEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CCC)CC[C@@H]1C ZINC001132441436 812855757 /nfs/dbraw/zinc/85/57/57/812855757.db2.gz OWWHZEJZDTWBKG-HOTGVXAUSA-N 2 1 295.471 2.264 20 30 CEEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)CCC)CC[C@@H]1C ZINC001132441436 812855771 /nfs/dbraw/zinc/85/57/71/812855771.db2.gz OWWHZEJZDTWBKG-HOTGVXAUSA-N 2 1 295.471 2.264 20 30 CEEDMP C=CCC[C@@H](C)[NH2+]CCNC(=O)Cn1cc[nH+]c1C(C)C ZINC001134570293 813290530 /nfs/dbraw/zinc/29/05/30/813290530.db2.gz NFDMBQZSEMSULB-CQSZACIVSA-N 2 1 292.427 2.067 20 30 CEEDMP C=C(C)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C(C)(C)[N@H+](C)CC ZINC001134773735 813322897 /nfs/dbraw/zinc/32/28/97/813322897.db2.gz RCPWYJDOZPDLSK-KBPBESRZSA-N 2 1 283.460 2.166 20 30 CEEDMP C=CC[N@@H+]1C[C@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[C@@H]1C ZINC001071652888 813460109 /nfs/dbraw/zinc/46/01/09/813460109.db2.gz QCMMFOLLMOJUET-DZGCQCFKSA-N 2 1 298.390 2.103 20 30 CEEDMP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001170864032 813562820 /nfs/dbraw/zinc/56/28/20/813562820.db2.gz ZPKQTRFIXAPVKD-BZUAXINKSA-N 2 1 295.471 2.167 20 30 CEEDMP C=CC[N@@H+]1CCC[C@@H]1c1ccc(N[C@]([NH3+])(CC)CO)cc1 ZINC001170866830 813564648 /nfs/dbraw/zinc/56/46/48/813564648.db2.gz ZTMBZLUUAKFLIR-IAGOWNOFSA-N 2 1 289.423 2.479 20 30 CEEDMP C=C(C)C[NH2+][C@H](C)C[C@H](C)NC(=O)CC[N@H+](C)CCC ZINC001135995822 813583318 /nfs/dbraw/zinc/58/33/18/813583318.db2.gz LNBSWWJQEJFEAC-CABCVRRESA-N 2 1 283.460 2.167 20 30 CEEDMP C[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC001246090871 813679712 /nfs/dbraw/zinc/67/97/12/813679712.db2.gz MFVSUGROYRXBNH-XJKSGUPXSA-N 2 1 257.381 2.221 20 30 CEEDMP C=CCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001146603687 814299736 /nfs/dbraw/zinc/29/97/36/814299736.db2.gz YLMXQXNGWRVBIP-HUUCEWRRSA-N 2 1 283.460 2.166 20 30 CEEDMP C=CCOC1CCC([NH2+]C[C@@H]2CCC[N@H+](C)C2)CC1 ZINC001173312996 815665523 /nfs/dbraw/zinc/66/55/23/815665523.db2.gz PMJVVKWMSHFBEK-FHERZECASA-N 2 1 266.429 2.432 20 30 CEEDMP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)CC[N@H+](C)CCC ZINC001176268551 816385776 /nfs/dbraw/zinc/38/57/76/816385776.db2.gz KTHVTZANZGSEQS-MRXNPFEDSA-N 2 1 295.471 2.006 20 30 CEEDMP CC[N@H+]1C[C@@H]2C[NH+](Cc3c[nH]c4cc(C#N)ccc34)C[C@@H]2C1 ZINC001142931588 816758691 /nfs/dbraw/zinc/75/86/91/816758691.db2.gz RZGWBENMUUXKSR-IYBDPMFKSA-N 2 1 294.402 2.423 20 30 CEEDMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3c[nH]c4cc(C#N)ccc34)C[C@@H]2C1 ZINC001142931588 816758698 /nfs/dbraw/zinc/75/86/98/816758698.db2.gz RZGWBENMUUXKSR-IYBDPMFKSA-N 2 1 294.402 2.423 20 30 CEEDMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3c[nH]c4cc(C#N)ccc34)C[C@@H]2C1 ZINC001142931588 816758701 /nfs/dbraw/zinc/75/87/01/816758701.db2.gz RZGWBENMUUXKSR-IYBDPMFKSA-N 2 1 294.402 2.423 20 30 CEEDMP CC[NH+]1C[C@@H]2C[N@H+](Cc3c[nH]c4cc(C#N)ccc34)C[C@@H]2C1 ZINC001142931588 816758704 /nfs/dbraw/zinc/75/87/04/816758704.db2.gz RZGWBENMUUXKSR-IYBDPMFKSA-N 2 1 294.402 2.423 20 30 CEEDMP C=C(C)C[NH2+]CCCCCCNC(=O)Cn1c[nH+]cc1C ZINC001179026043 816826227 /nfs/dbraw/zinc/82/62/27/816826227.db2.gz IDZLYDULBDPEBI-UHFFFAOYSA-N 2 1 292.427 2.034 20 30 CEEDMP N#Cc1ccc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000594956620 345715760 /nfs/dbraw/zinc/71/57/60/345715760.db2.gz XGCZGDXJTUSLIL-SJORKVTESA-N 2 1 269.392 2.317 20 30 CEEDMP CC(C)(C#N)CCCC[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000595864285 345901198 /nfs/dbraw/zinc/90/11/98/345901198.db2.gz RWTPHDRSRAYZJO-INIZCTEOSA-N 2 1 293.455 2.237 20 30 CEEDMP CC(C)(C#N)CCCC[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000595864285 345901201 /nfs/dbraw/zinc/90/12/01/345901201.db2.gz RWTPHDRSRAYZJO-INIZCTEOSA-N 2 1 293.455 2.237 20 30 CEEDMP C[NH2+]Cc1ccccc1C[NH2+]Cc1ccc(C#N)o1 ZINC000600770475 346687226 /nfs/dbraw/zinc/68/72/26/346687226.db2.gz ZZSBOUYXYCAGTE-UHFFFAOYSA-N 2 1 255.321 2.160 20 30 CEEDMP N#Cc1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000130353382 365947356 /nfs/dbraw/zinc/94/73/56/365947356.db2.gz RJKLFICBDQCADD-QGZVFWFLSA-N 2 1 299.418 2.149 20 30 CEEDMP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623512472 350038315 /nfs/dbraw/zinc/03/83/15/350038315.db2.gz IZLSSQNSVBAXFA-ILXRZTDVSA-N 2 1 266.429 2.430 20 30 CEEDMP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623512473 350038384 /nfs/dbraw/zinc/03/83/84/350038384.db2.gz IZLSSQNSVBAXFA-KFWWJZLASA-N 2 1 266.429 2.430 20 30 CEEDMP C=CCC[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)C1CC1 ZINC000245912949 370887610 /nfs/dbraw/zinc/88/76/10/370887610.db2.gz DWLZERABYKJACP-QGZVFWFLSA-N 2 1 279.472 2.348 20 30 CEEDMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]Cc2cc(C#N)n(C)c2)C1 ZINC000190774122 369651366 /nfs/dbraw/zinc/65/13/66/369651366.db2.gz YXLPGYSMLZXPEM-GASCZTMLSA-N 2 1 288.439 2.354 20 30 CEEDMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2cc(C#N)n(C)c2)C1 ZINC000190774122 369651368 /nfs/dbraw/zinc/65/13/68/369651368.db2.gz YXLPGYSMLZXPEM-GASCZTMLSA-N 2 1 288.439 2.354 20 30 CEEDMP CC(C)[N@H+]1CCC[C@H](CNCc2nc(C#N)cs2)C1 ZINC000352841881 369908070 /nfs/dbraw/zinc/90/80/70/369908070.db2.gz TUDDCGXWEXKXDW-GFCCVEGCSA-N 2 1 278.425 2.225 20 30 CEEDMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccc(C#N)o2)C1 ZINC000354097267 370216420 /nfs/dbraw/zinc/21/64/20/370216420.db2.gz OOSIBCFOFQBCQA-OAHLLOKOSA-N 2 1 291.395 2.084 20 30 CEEDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccc(C#N)o2)C1 ZINC000354097267 370216429 /nfs/dbraw/zinc/21/64/29/370216429.db2.gz OOSIBCFOFQBCQA-OAHLLOKOSA-N 2 1 291.395 2.084 20 30 CEEDMP CC(C)[N@H+](C)CCC[NH2+]Cc1ccc(C#N)s1 ZINC000226264204 370333164 /nfs/dbraw/zinc/33/31/64/370333164.db2.gz KVDLYVKXOZZLGX-UHFFFAOYSA-N 2 1 251.399 2.440 20 30 CEEDMP CC(C)[N@@H+](C)CCC[NH2+]Cc1ccc(C#N)s1 ZINC000226264204 370333169 /nfs/dbraw/zinc/33/31/69/370333169.db2.gz KVDLYVKXOZZLGX-UHFFFAOYSA-N 2 1 251.399 2.440 20 30 CEEDMP COc1cc(C[N@@H+]2CCCC[C@H]2CC[NH3+])ccc1C#N ZINC000234969314 370552278 /nfs/dbraw/zinc/55/22/78/370552278.db2.gz WSPHLZDKLMBKDX-HNNXBMFYSA-N 2 1 273.380 2.270 20 30 CEEDMP COc1cc(C[N@H+]2CCCC[C@H]2CC[NH3+])ccc1C#N ZINC000234969314 370552282 /nfs/dbraw/zinc/55/22/82/370552282.db2.gz WSPHLZDKLMBKDX-HNNXBMFYSA-N 2 1 273.380 2.270 20 30 CEEDMP C[NH+]=C(NCc1ccco1)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000264045828 371957422 /nfs/dbraw/zinc/95/74/22/371957422.db2.gz KQOPZOAXKSDOLN-KGLIPLIRSA-N 2 1 292.427 2.065 20 30 CEEDMP CCNC(=[NH2+])NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000264081544 371965769 /nfs/dbraw/zinc/96/57/69/371965769.db2.gz INYVQZIEHQPHNS-AWEZNQCLSA-N 2 1 288.439 2.485 20 30 CEEDMP CCc1cccc(NC(=[NH2+])NC[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000264095849 371968793 /nfs/dbraw/zinc/96/87/93/371968793.db2.gz MLOVEWVLAAQMEK-CQSZACIVSA-N 2 1 286.423 2.460 20 30 CEEDMP Cc1cc(C)cc(NC(=[NH2+])NC[C@@H]2CCC[N@@H+]2C)c1 ZINC000264106781 371971215 /nfs/dbraw/zinc/97/12/15/371971215.db2.gz PTFYMUQYPFAMHP-AWEZNQCLSA-N 2 1 260.385 2.124 20 30 CEEDMP CCC[N@H+]1CC[C@@H](CNC(=[NH2+])Nc2ccc(OC)cc2)C1 ZINC000264118553 371973766 /nfs/dbraw/zinc/97/37/66/371973766.db2.gz UAGIJDAFIVAKLY-ZDUSSCGKSA-N 2 1 290.411 2.154 20 30 CEEDMP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000367204957 373141267 /nfs/dbraw/zinc/14/12/67/373141267.db2.gz FTDXCODLICDYCF-SDKNFDLMSA-N 2 1 264.413 2.182 20 30 CEEDMP C[N@@H+]1CC[C@@H]2CCN(CCCOc3ccc(C#N)cc3)[C@H]2C1 ZINC000373141147 374277548 /nfs/dbraw/zinc/27/75/48/374277548.db2.gz QMVIGOFMCAUWLV-AEFFLSMTSA-N 2 1 299.418 2.353 20 30 CEEDMP C[N@H+]1CC[C@@H]2CCN(CCCOc3ccc(C#N)cc3)[C@H]2C1 ZINC000373141147 374277557 /nfs/dbraw/zinc/27/75/57/374277557.db2.gz QMVIGOFMCAUWLV-AEFFLSMTSA-N 2 1 299.418 2.353 20 30 CEEDMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000399020102 375354469 /nfs/dbraw/zinc/35/44/69/375354469.db2.gz DSDPURPWPGVSAR-CJNGLKHVSA-N 2 1 257.381 2.182 20 30 CEEDMP C=CC[N@H+](C[C@@H](C[NH3+])c1ccc(OC)cc1)C1CC1 ZINC000420372657 376683775 /nfs/dbraw/zinc/68/37/75/376683775.db2.gz LQNZVEKULRDCST-CQSZACIVSA-N 2 1 260.381 2.388 20 30 CEEDMP C[C@H](c1cccc(C#N)c1)[N@H+](C)C[C@H](O)CN(C)C1CC1 ZINC000425530908 377367009 /nfs/dbraw/zinc/36/70/09/377367009.db2.gz GFGCYEXUCPJCAT-DYVFJYSZSA-N 2 1 287.407 2.006 20 30 CEEDMP C[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@H](O)CN(C)C1CC1 ZINC000425530908 377367011 /nfs/dbraw/zinc/36/70/11/377367011.db2.gz GFGCYEXUCPJCAT-DYVFJYSZSA-N 2 1 287.407 2.006 20 30 CEEDMP C=CCOCC[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000555337538 380822937 /nfs/dbraw/zinc/82/29/37/380822937.db2.gz SLNYCYJGFVQCER-UHFFFAOYSA-N 2 1 254.418 2.241 20 30 CEEDMP N#Cc1ccc(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])cc1F ZINC000335024222 207487803 /nfs/dbraw/zinc/48/78/03/207487803.db2.gz AUXIVEOEWMJYLA-GJZGRUSLSA-N 2 1 261.344 2.447 20 30 CEEDMP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]Cc2cc(C#N)n(C)c2)C1 ZINC000190774155 130145012 /nfs/dbraw/zinc/14/50/12/130145012.db2.gz YXLPGYSMLZXPEM-HUUCEWRRSA-N 2 1 288.439 2.354 20 30 CEEDMP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CCC(C)(C)C#N)CC1 ZINC000119642040 394769934 /nfs/dbraw/zinc/76/99/34/394769934.db2.gz YUOOIGCKDFZDOU-MRXNPFEDSA-N 2 1 292.471 2.028 20 30 CEEDMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](CCC(C)(C)C#N)CC1 ZINC000119642040 394769939 /nfs/dbraw/zinc/76/99/39/394769939.db2.gz YUOOIGCKDFZDOU-MRXNPFEDSA-N 2 1 292.471 2.028 20 30 CEEDMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+]([C@H]2CC[C@@H](C#N)C2)C1 ZINC000339011651 394936717 /nfs/dbraw/zinc/93/67/17/394936717.db2.gz VUWZWBXIDIWZSI-PMPSAXMXSA-N 2 1 261.413 2.342 20 30 CEEDMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+]([C@H]2CC[C@@H](C#N)C2)C1 ZINC000339011651 394936718 /nfs/dbraw/zinc/93/67/18/394936718.db2.gz VUWZWBXIDIWZSI-PMPSAXMXSA-N 2 1 261.413 2.342 20 30 CEEDMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+]([C@H]2CC[C@@H](C#N)C2)C1 ZINC000339011651 394936720 /nfs/dbraw/zinc/93/67/20/394936720.db2.gz VUWZWBXIDIWZSI-PMPSAXMXSA-N 2 1 261.413 2.342 20 30 CEEDMP C=C[C@@H](CO)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000289939064 395091437 /nfs/dbraw/zinc/09/14/37/395091437.db2.gz VXCRFZFEYWZEMS-WFASDCNBSA-N 2 1 271.364 2.378 20 30 CEEDMP C#Cc1ccc(C[NH2+]CC2CCN(CC[NH+](C)C)CC2)cc1 ZINC000289971106 395092562 /nfs/dbraw/zinc/09/25/62/395092562.db2.gz BRVZKUOTDGWWBI-UHFFFAOYSA-N 2 1 299.462 2.031 20 30 CEEDMP C=CCOCC[N@@H+](C)CCCc1[nH+]ccn1CCC ZINC000294020995 395263209 /nfs/dbraw/zinc/26/32/09/395263209.db2.gz HLGDUCWCQJIXFH-UHFFFAOYSA-N 2 1 265.401 2.360 20 30 CEEDMP C=CCOCC[N@H+](C)CCCc1[nH+]ccn1CCC ZINC000294020995 395263213 /nfs/dbraw/zinc/26/32/13/395263213.db2.gz HLGDUCWCQJIXFH-UHFFFAOYSA-N 2 1 265.401 2.360 20 30 CEEDMP N#C[C@H]1CC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000442641241 395388629 /nfs/dbraw/zinc/38/86/29/395388629.db2.gz CWHLABSKPRLWRY-ZWKOTPCHSA-N 2 1 299.418 2.301 20 30 CEEDMP Cn1cc[nH+]c1CC1CC[NH+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000334944336 225370848 /nfs/dbraw/zinc/37/08/48/225370848.db2.gz FIKSJNDBJMKXSO-CABCVRRESA-N 2 1 272.396 2.367 20 30 CEEDMP C=CCOc1ccc(C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)cc1OC ZINC000414939824 263147533 /nfs/dbraw/zinc/14/75/33/263147533.db2.gz BDNNRLZPVMVSSA-DZGCQCFKSA-N 2 1 290.407 2.490 20 30 CEEDMP CC[C@H]([NH2+]CCOc1ccc(C#N)cc1)[C@@H]1CCC[NH2+]1 ZINC000422989021 267221359 /nfs/dbraw/zinc/22/13/59/267221359.db2.gz KJKHXBTXBMFJPW-HOTGVXAUSA-N 2 1 273.380 2.057 20 30 CEEDMP CCc1cccc(NC(=[NH2+])NCC2=CC[N@@H+](C)CC2)c1 ZINC000271840294 328197817 /nfs/dbraw/zinc/19/78/17/328197817.db2.gz SUPISTJXQRHTER-UHFFFAOYSA-N 2 1 272.396 2.238 20 30 CEEDMP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000583448746 327372561 /nfs/dbraw/zinc/37/25/61/327372561.db2.gz NHWFYQNSEIQDOA-IRXDYDNUSA-N 2 1 289.423 2.324 20 30 CEEDMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000583448746 327372563 /nfs/dbraw/zinc/37/25/63/327372563.db2.gz NHWFYQNSEIQDOA-IRXDYDNUSA-N 2 1 289.423 2.324 20 30 CEEDMP CC[NH+]=C(NCC(C)(C)[N@H+]1CCC[C@H](C)C1)NC1CC1 ZINC000263111271 330044194 /nfs/dbraw/zinc/04/41/94/330044194.db2.gz DRPJMBOHWBUSAM-ZDUSSCGKSA-N 2 1 280.460 2.214 20 30 CEEDMP C=C(C)C[NH+]1CCC([NH2+]CC[C@@H]2CCOC2)CC1 ZINC000438205996 330719830 /nfs/dbraw/zinc/71/98/30/330719830.db2.gz ZJQRFKKGAXQMJS-CQSZACIVSA-N 2 1 252.402 2.043 20 30 CEEDMP CCNC(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)=[NH+]CC ZINC000195164995 331139194 /nfs/dbraw/zinc/13/91/94/331139194.db2.gz WSTWXJQUGCTGDP-INIZCTEOSA-N 2 1 288.439 2.084 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCC[C@H]1CCCF ZINC000491209493 332166239 /nfs/dbraw/zinc/16/62/39/332166239.db2.gz HYPPNWMWUXBDSU-LSDHHAIUSA-N 2 1 254.393 2.450 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@H]1CCCF ZINC000491209493 332166240 /nfs/dbraw/zinc/16/62/40/332166240.db2.gz HYPPNWMWUXBDSU-LSDHHAIUSA-N 2 1 254.393 2.450 20 30 CEEDMP CC(C)(CCC#N)C[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000174374949 335153501 /nfs/dbraw/zinc/15/35/01/335153501.db2.gz BUIQPLMSXVLTKQ-OAHLLOKOSA-N 2 1 281.444 2.143 20 30 CEEDMP C=C(C)C[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000963158451 613347198 /nfs/dbraw/zinc/34/71/98/613347198.db2.gz YNAMDRWXKXOQAK-GPANFISMSA-N 2 1 293.455 2.016 20 30 CEEDMP CC(C)CNC(=[NH2+])NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000304758971 623298359 /nfs/dbraw/zinc/29/83/59/623298359.db2.gz QSKOPZBKEXVRPR-INIZCTEOSA-N 2 1 288.439 2.211 20 30 CEEDMP C=C(CC)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000926550731 625034979 /nfs/dbraw/zinc/03/49/79/625034979.db2.gz NQENICJSTBHPON-GOOCMWNKSA-N 2 1 252.402 2.184 20 30 CEEDMP C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001024811998 625835118 /nfs/dbraw/zinc/83/51/18/625835118.db2.gz ISFNDTQYTMZVBT-CVEARBPZSA-N 2 1 293.455 2.018 20 30 CEEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@@H](C)c1ccc(F)cc1 ZINC000820846109 634548817 /nfs/dbraw/zinc/54/88/17/634548817.db2.gz CLLYSBJECAOCDW-CQSZACIVSA-N 2 1 262.372 2.474 20 30 CEEDMP C#CC[N@H+](C)CCC[NH2+]C[C@@H](C)c1ccc(F)cc1 ZINC000820846109 634548821 /nfs/dbraw/zinc/54/88/21/634548821.db2.gz CLLYSBJECAOCDW-CQSZACIVSA-N 2 1 262.372 2.474 20 30 CEEDMP CC[C@H](C)NC(=[NH2+])NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000261695349 629088477 /nfs/dbraw/zinc/08/84/77/629088477.db2.gz BUKOWGVKUKOAEZ-OLZOCXBDSA-N 2 1 268.449 2.200 20 30 CEEDMP C#CC[NH+]1CCC(Nc2cc[nH+]c3ccsc32)CC1 ZINC000895809282 630351043 /nfs/dbraw/zinc/35/10/43/630351043.db2.gz SUZAPJNQBYWJKM-UHFFFAOYSA-N 2 1 271.389 2.228 20 30 CEEDMP CC[N@H+]1CC[C@H](CNC(=[NH2+])N[C@@H](C)CCCC(C)C)C1 ZINC000303907633 631093681 /nfs/dbraw/zinc/09/36/81/631093681.db2.gz WZSKRSQQYAQVJX-LSDHHAIUSA-N 2 1 282.476 2.447 20 30 CEEDMP CC[N@@H+](CCNC(=[NH2+])Nc1cccc(OC)c1)C(C)C ZINC000303973688 631095014 /nfs/dbraw/zinc/09/50/14/631095014.db2.gz HAJHENGRKSUTHK-UHFFFAOYSA-N 2 1 278.400 2.152 20 30 CEEDMP C=CCOc1cccc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC000904420936 635632631 /nfs/dbraw/zinc/63/26/31/635632631.db2.gz JGEXJVBWHUJDEK-JKSUJKDBSA-N 2 1 272.392 2.293 20 30 CEEDMP C#Cc1ccc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1 ZINC000809547008 632096620 /nfs/dbraw/zinc/09/66/20/632096620.db2.gz IVKTUOGCJDFBSQ-QGZVFWFLSA-N 2 1 256.393 2.442 20 30 CEEDMP C#Cc1ccc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000809547008 632096627 /nfs/dbraw/zinc/09/66/27/632096627.db2.gz IVKTUOGCJDFBSQ-QGZVFWFLSA-N 2 1 256.393 2.442 20 30 CEEDMP C#Cc1ccc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000809547008 632096632 /nfs/dbraw/zinc/09/66/32/632096632.db2.gz IVKTUOGCJDFBSQ-QGZVFWFLSA-N 2 1 256.393 2.442 20 30 CEEDMP COc1ccc(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])cc1C#N ZINC000817914898 633775230 /nfs/dbraw/zinc/77/52/30/633775230.db2.gz BPZIOXRMFNXQQA-LSDHHAIUSA-N 2 1 273.380 2.316 20 30 CEEDMP C[C@H]([NH2+]CC1([NH3+])CCC1)c1ccc(OCC#N)cc1 ZINC000817964380 633807048 /nfs/dbraw/zinc/80/70/48/633807048.db2.gz AFDUKEFBGUSCLJ-LBPRGKRZSA-N 2 1 259.353 2.121 20 30 CEEDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902789313 634833504 /nfs/dbraw/zinc/83/35/04/634833504.db2.gz DUQXXRONQDJOHF-OLZOCXBDSA-N 2 1 283.379 2.445 20 30 CEEDMP C=CCCOCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903129210 634983468 /nfs/dbraw/zinc/98/34/68/634983468.db2.gz FTPGYRLEJWCHQP-VHRNVKJDSA-N 2 1 264.413 2.327 20 30 CEEDMP N#Cc1ccc(CC[N@H+]2CCC[C@H]3CC[C@@]32CN)cc1 ZINC000903801665 635278465 /nfs/dbraw/zinc/27/84/65/635278465.db2.gz OWPSWLDPEHKNTH-DLBZAZTESA-N 2 1 269.392 2.304 20 30 CEEDMP N#Cc1ccc(CC[N@@H+]2CCC[C@H]3CC[C@@]32CN)cc1 ZINC000903801665 635278469 /nfs/dbraw/zinc/27/84/69/635278469.db2.gz OWPSWLDPEHKNTH-DLBZAZTESA-N 2 1 269.392 2.304 20 30 CEEDMP N#Cc1ccc(CC[N@H+]2CCC[C@H]3CC[C@@]32C[NH3+])cc1 ZINC000903801665 635278473 /nfs/dbraw/zinc/27/84/73/635278473.db2.gz OWPSWLDPEHKNTH-DLBZAZTESA-N 2 1 269.392 2.304 20 30 CEEDMP N#Cc1ccc(CC[N@@H+]2CCC[C@H]3CC[C@@]32C[NH3+])cc1 ZINC000903801665 635278476 /nfs/dbraw/zinc/27/84/76/635278476.db2.gz OWPSWLDPEHKNTH-DLBZAZTESA-N 2 1 269.392 2.304 20 30 CEEDMP C[C@@H]([NH2+]C[C@@H]([NH3+])CC(F)F)c1cccc(C#N)c1 ZINC000903950640 635383835 /nfs/dbraw/zinc/38/38/35/635383835.db2.gz PKZXAUMQXLTKCV-SKDRFNHKSA-N 2 1 253.296 2.191 20 30 CEEDMP C#CCC[N@H+](CCOC)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000827823457 636434655 /nfs/dbraw/zinc/43/46/55/636434655.db2.gz PMZNBESQBGQUGC-UHFFFAOYSA-N 2 1 298.390 2.047 20 30 CEEDMP C#C[C@@H]1CCC[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000848923478 642195575 /nfs/dbraw/zinc/19/55/75/642195575.db2.gz LPZVKEAQZIDINK-MRXNPFEDSA-N 2 1 286.419 2.472 20 30 CEEDMP CCO[C@@H](C[NH2+]C1CCC(C)(C#N)CC1)C[NH+](C)C ZINC000922753326 643243854 /nfs/dbraw/zinc/24/38/54/643243854.db2.gz FOCXCKSKOGWKNO-SLTAFYQDSA-N 2 1 267.417 2.015 20 30 CEEDMP C#Cc1cccc(C[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000839127119 644166108 /nfs/dbraw/zinc/16/61/08/644166108.db2.gz HEBSBYZNEDLAQS-UHFFFAOYSA-N 2 1 254.377 2.384 20 30 CEEDMP CN(C)c1ccc(C#N)cc1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000865411293 647280697 /nfs/dbraw/zinc/28/06/97/647280697.db2.gz AEKQWKUPTVHMAK-OAHLLOKOSA-N 2 1 298.434 2.198 20 30 CEEDMP C[N@H+]1CC[C@H]([NH2+][C@@H]2Cc3ccc(C#N)cc3C2)[C@H]2CCC[C@@H]21 ZINC000866617585 647844318 /nfs/dbraw/zinc/84/43/18/647844318.db2.gz LTTKQRLGZDCDJL-YRXWBPOGSA-N 2 1 295.430 2.488 20 30 CEEDMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C1CCN(c2ccccc2C#N)CC1 ZINC000873239411 649605281 /nfs/dbraw/zinc/60/52/81/649605281.db2.gz VOQIOAZSHMQSNM-PBHICJAKSA-N 2 1 298.434 2.115 20 30 CEEDMP C[C@H]([NH2+][C@@H]1Cc2ccc(C#N)cc2C1)c1c[nH+]ccc1N ZINC000873275653 649621366 /nfs/dbraw/zinc/62/13/66/649621366.db2.gz MTAZSJVAFMRLTD-XHDPSFHLSA-N 2 1 278.359 2.184 20 30 CEEDMP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccc(CC#N)cc3)CC[C@@H]21 ZINC000879581787 651327499 /nfs/dbraw/zinc/32/74/99/651327499.db2.gz ODYQMHVJXVTWMK-IRXDYDNUSA-N 2 1 269.392 2.279 20 30 CEEDMP C[N@H+]1CC[C@H]2C[NH+](Cc3ccc(CC#N)cc3)CC[C@@H]21 ZINC000879581787 651327500 /nfs/dbraw/zinc/32/75/00/651327500.db2.gz ODYQMHVJXVTWMK-IRXDYDNUSA-N 2 1 269.392 2.279 20 30 CEEDMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccc(CC#N)cc3)CC[C@@H]21 ZINC000879581787 651327501 /nfs/dbraw/zinc/32/75/01/651327501.db2.gz ODYQMHVJXVTWMK-IRXDYDNUSA-N 2 1 269.392 2.279 20 30 CEEDMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc(CC#N)cc3)CC[C@@H]21 ZINC000879581787 651327502 /nfs/dbraw/zinc/32/75/02/651327502.db2.gz ODYQMHVJXVTWMK-IRXDYDNUSA-N 2 1 269.392 2.279 20 30 CEEDMP C=CCC[C@@H](Cc1ccccc1)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000883217013 652403064 /nfs/dbraw/zinc/40/30/64/652403064.db2.gz ZTEWMUHSVOAQSN-ROUUACIJSA-N 2 1 288.435 2.220 20 30 CEEDMP C=CCC[C@@H](Cc1ccccc1)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000883217013 652403065 /nfs/dbraw/zinc/40/30/65/652403065.db2.gz ZTEWMUHSVOAQSN-ROUUACIJSA-N 2 1 288.435 2.220 20 30 CEEDMP